smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CN(c2cc[nH+]c(N)n2)[C@@H](C)C[N@@H+]1C ZINC001120914526 719224092 /nfs/dbraw/zinc/22/40/92/719224092.db2.gz QSXIBHGBMBVBAV-BDAKNGLRSA-N 2 2 221.308 0.588 20 0 BCADLP C[C@@H]1CN(c2cc[nH+]c(N)n2)[C@@H](C)C[N@H+]1C ZINC001120914526 719224099 /nfs/dbraw/zinc/22/40/99/719224099.db2.gz QSXIBHGBMBVBAV-BDAKNGLRSA-N 2 2 221.308 0.588 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC1(C)C ZINC000572420255 398142462 /nfs/dbraw/zinc/14/24/62/398142462.db2.gz SEPFEDCJXDOYKD-RYUDHWBXSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC1(C)C ZINC000572420255 398142465 /nfs/dbraw/zinc/14/24/65/398142465.db2.gz SEPFEDCJXDOYKD-RYUDHWBXSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CC1(C)C ZINC000572420255 398142467 /nfs/dbraw/zinc/14/24/67/398142467.db2.gz SEPFEDCJXDOYKD-RYUDHWBXSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CC1(C)C ZINC000572420255 398142471 /nfs/dbraw/zinc/14/24/71/398142471.db2.gz SEPFEDCJXDOYKD-RYUDHWBXSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CC1(C)C ZINC000572420256 398142629 /nfs/dbraw/zinc/14/26/29/398142629.db2.gz SEPFEDCJXDOYKD-VXGBXAGGSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CC1(C)C ZINC000572420256 398142632 /nfs/dbraw/zinc/14/26/32/398142632.db2.gz SEPFEDCJXDOYKD-VXGBXAGGSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CC1(C)C ZINC000572420256 398142635 /nfs/dbraw/zinc/14/26/35/398142635.db2.gz SEPFEDCJXDOYKD-VXGBXAGGSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CC1(C)C ZINC000572420256 398142638 /nfs/dbraw/zinc/14/26/38/398142638.db2.gz SEPFEDCJXDOYKD-VXGBXAGGSA-N 2 2 244.379 0.656 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649320576 398143830 /nfs/dbraw/zinc/14/38/30/398143830.db2.gz MGOAVRNXAKNPKI-JZYVYDRUSA-N 2 2 217.272 0.216 20 0 BCADLP C[NH2+]Cc1noc(CC2CC[NH2+]CC2)n1 ZINC000258075852 349491448 /nfs/dbraw/zinc/49/14/48/349491448.db2.gz QOVKXLXOSYJMJR-UHFFFAOYSA-N 2 2 210.281 0.331 20 0 BCADLP C(C[NH+]1CCOCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000336700612 187321732 /nfs/dbraw/zinc/32/17/32/187321732.db2.gz LHYZBJINUMDNBA-ZDUSSCGKSA-N 2 2 239.363 0.099 20 0 BCADLP C(C[NH+]1CCOCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000336700612 187321734 /nfs/dbraw/zinc/32/17/34/187321734.db2.gz LHYZBJINUMDNBA-ZDUSSCGKSA-N 2 2 239.363 0.099 20 0 BCADLP CC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000336779579 187323126 /nfs/dbraw/zinc/32/31/26/187323126.db2.gz OTHQWGIYCNVBKH-ZMLRMANQSA-N 2 2 225.336 0.147 20 0 BCADLP CC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000336779579 187323127 /nfs/dbraw/zinc/32/31/27/187323127.db2.gz OTHQWGIYCNVBKH-ZMLRMANQSA-N 2 2 225.336 0.147 20 0 BCADLP CCC(CC)C(=O)N1CC[NH+](CCC[NH3+])CC1 ZINC000020181735 168334530 /nfs/dbraw/zinc/33/45/30/168334530.db2.gz QXPIEOOXGAXVMA-UHFFFAOYSA-N 2 2 241.379 0.916 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@H]1C[NH2+]CCC1(F)F ZINC000649333360 398149675 /nfs/dbraw/zinc/14/96/75/398149675.db2.gz ORIXPDUFWXBSMU-SSDOTTSWSA-N 2 2 244.245 0.271 20 0 BCADLP O=C1C[N@H+](CCn2cc[nH+]c2)[C@@H]2CCCC[C@@H]2N1 ZINC000245637537 398168674 /nfs/dbraw/zinc/16/86/74/398168674.db2.gz RTUHWUCQNCYAAY-NWDGAFQWSA-N 2 2 248.330 0.626 20 0 BCADLP O=C1C[N@@H+](CCn2cc[nH+]c2)[C@@H]2CCCC[C@@H]2N1 ZINC000245637537 398168676 /nfs/dbraw/zinc/16/86/76/398168676.db2.gz RTUHWUCQNCYAAY-NWDGAFQWSA-N 2 2 248.330 0.626 20 0 BCADLP Cc1cccn2cc(CC(=O)NC[C@@H](C)[NH3+])[nH+]c12 ZINC000649360006 398172852 /nfs/dbraw/zinc/17/28/52/398172852.db2.gz WERRMPVXTFURJJ-SNVBAGLBSA-N 2 2 246.314 0.649 20 0 BCADLP c1[nH]nnc1CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000647964409 398177746 /nfs/dbraw/zinc/17/77/46/398177746.db2.gz IODDVQIMYIYGJD-GFCCVEGCSA-N 2 2 249.362 0.765 20 0 BCADLP c1[nH]nnc1CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000647964409 398177748 /nfs/dbraw/zinc/17/77/48/398177748.db2.gz IODDVQIMYIYGJD-GFCCVEGCSA-N 2 2 249.362 0.765 20 0 BCADLP c1n[nH]nc1CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000647964409 398177750 /nfs/dbraw/zinc/17/77/50/398177750.db2.gz IODDVQIMYIYGJD-GFCCVEGCSA-N 2 2 249.362 0.765 20 0 BCADLP c1n[nH]nc1CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000647964409 398177754 /nfs/dbraw/zinc/17/77/54/398177754.db2.gz IODDVQIMYIYGJD-GFCCVEGCSA-N 2 2 249.362 0.765 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000649348022 398161226 /nfs/dbraw/zinc/16/12/26/398161226.db2.gz ZANKUEJOKUWBRY-SECBINFHSA-N 2 2 222.292 0.332 20 0 BCADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)[C@H](C)O)C1 ZINC000519142097 398165722 /nfs/dbraw/zinc/16/57/22/398165722.db2.gz YNURGITUNJFUFX-VWYCJHECSA-N 2 2 200.326 0.830 20 0 BCADLP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)[C@H](C)O)C1 ZINC000519142097 398165728 /nfs/dbraw/zinc/16/57/28/398165728.db2.gz YNURGITUNJFUFX-VWYCJHECSA-N 2 2 200.326 0.830 20 0 BCADLP CC[C@H](CO)[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000072797913 398187023 /nfs/dbraw/zinc/18/70/23/398187023.db2.gz FSPVZZLZZWDNDS-LLVKDONJSA-N 2 2 238.335 0.298 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)[C@@H]1C ZINC000386023222 398195125 /nfs/dbraw/zinc/19/51/25/398195125.db2.gz WANNTBHEKATOMB-UTUOFQBUSA-N 2 2 239.363 0.395 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000584239840 398184152 /nfs/dbraw/zinc/18/41/52/398184152.db2.gz OBJNYIFUQMIBFD-ONGXEEELSA-N 2 2 226.324 0.373 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000584239840 398184153 /nfs/dbraw/zinc/18/41/53/398184153.db2.gz OBJNYIFUQMIBFD-ONGXEEELSA-N 2 2 226.324 0.373 20 0 BCADLP CCn1nccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000163085152 538926725 /nfs/dbraw/zinc/92/67/25/538926725.db2.gz KQUBIYQJYGBOMP-QWRGUYRKSA-N 2 2 220.320 0.554 20 0 BCADLP C[C@@H]([NH3+])C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000649411808 398213677 /nfs/dbraw/zinc/21/36/77/398213677.db2.gz DKYQJMQTGBBHAY-SNVBAGLBSA-N 2 2 249.362 0.751 20 0 BCADLP CO[C@@]1(C[NH2+]C[C@H]2CCC[N@@H+]2C)CCOC1 ZINC000386643308 398215004 /nfs/dbraw/zinc/21/50/04/398215004.db2.gz OSXOFXUPFQZMIZ-VXGBXAGGSA-N 2 2 228.336 0.476 20 0 BCADLP CO[C@@]1(C[NH2+]C[C@H]2CCC[N@H+]2C)CCOC1 ZINC000386643308 398215007 /nfs/dbraw/zinc/21/50/07/398215007.db2.gz OSXOFXUPFQZMIZ-VXGBXAGGSA-N 2 2 228.336 0.476 20 0 BCADLP CO[C@]1(C[NH2+]C[C@H]2CCC[N@@H+]2C)CCOC1 ZINC000386643301 398215084 /nfs/dbraw/zinc/21/50/84/398215084.db2.gz OSXOFXUPFQZMIZ-NEPJUHHUSA-N 2 2 228.336 0.476 20 0 BCADLP CO[C@]1(C[NH2+]C[C@H]2CCC[N@H+]2C)CCOC1 ZINC000386643301 398215086 /nfs/dbraw/zinc/21/50/86/398215086.db2.gz OSXOFXUPFQZMIZ-NEPJUHHUSA-N 2 2 228.336 0.476 20 0 BCADLP c1cc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc[nH+]1 ZINC000649414824 398218379 /nfs/dbraw/zinc/21/83/79/398218379.db2.gz ZQFMWCBWUWBTMF-CYBMUJFWSA-N 3 2 246.358 0.813 20 0 BCADLP Cn1cc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cn1 ZINC000649413665 398212187 /nfs/dbraw/zinc/21/21/87/398212187.db2.gz XZWZNEVEZOXEMJ-LBPRGKRZSA-N 2 2 249.362 0.152 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCN1CCCC1=O ZINC000430559998 398227837 /nfs/dbraw/zinc/22/78/37/398227837.db2.gz VDBKWNOMZBMAIP-NSHDSACASA-N 2 2 225.336 0.293 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCN1CCCC1=O ZINC000430559998 398227840 /nfs/dbraw/zinc/22/78/40/398227840.db2.gz VDBKWNOMZBMAIP-NSHDSACASA-N 2 2 225.336 0.293 20 0 BCADLP CC[C@@H](C)NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430569534 398229052 /nfs/dbraw/zinc/22/90/52/398229052.db2.gz LNEFBHKHVMBQNM-ZYHUDNBSSA-N 2 2 229.368 0.864 20 0 BCADLP CC(C)CNC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430572566 398229178 /nfs/dbraw/zinc/22/91/78/398229178.db2.gz OQNBQVFXLHMIAW-LBPRGKRZSA-N 2 2 229.368 0.722 20 0 BCADLP Cc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ncn1 ZINC000381407243 398256018 /nfs/dbraw/zinc/25/60/18/398256018.db2.gz SUALUHUOUGQMTQ-QWRGUYRKSA-N 2 2 218.304 0.436 20 0 BCADLP CC(C)[C@@H](C(=O)NCc1c[nH+]cn1C)[NH+](C)C ZINC000291178244 538947559 /nfs/dbraw/zinc/94/75/59/538947559.db2.gz JMKMLZJYECKHSR-NSHDSACASA-N 2 2 238.335 0.623 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CC[C@H](C)O)C1 ZINC000379914129 365665452 /nfs/dbraw/zinc/66/54/52/365665452.db2.gz ARRWDJOQFBXTPF-WDEREUQCSA-N 2 2 216.325 0.068 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+]CC[C@H](C)O)C1 ZINC000379914129 365665455 /nfs/dbraw/zinc/66/54/55/365665455.db2.gz ARRWDJOQFBXTPF-WDEREUQCSA-N 2 2 216.325 0.068 20 0 BCADLP Cc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ncn1 ZINC000381407241 398255617 /nfs/dbraw/zinc/25/56/17/398255617.db2.gz SUALUHUOUGQMTQ-GHMZBOCLSA-N 2 2 218.304 0.436 20 0 BCADLP C[C@H](C[NH2+][C@@H]1CO[C@H](C)C1)C[NH+]1CCOCC1 ZINC000647185002 398267105 /nfs/dbraw/zinc/26/71/05/398267105.db2.gz LLXCHYRNGXYYFI-UPJWGTAASA-N 2 2 242.363 0.722 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC000381733055 398270570 /nfs/dbraw/zinc/27/05/70/398270570.db2.gz NTSRJYXNEXFIHM-VIFPVBQESA-N 2 2 209.293 0.164 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccn(C)c(=O)c1 ZINC000381733055 398270575 /nfs/dbraw/zinc/27/05/75/398270575.db2.gz NTSRJYXNEXFIHM-VIFPVBQESA-N 2 2 209.293 0.164 20 0 BCADLP Cn1c[nH+]cc1CC(=O)NCC(C)(C)[NH+](C)C ZINC000530434573 342718501 /nfs/dbraw/zinc/71/85/01/342718501.db2.gz HNSDFCZJRPXSLE-UHFFFAOYSA-N 2 2 238.335 0.419 20 0 BCADLP C[C@H](O)[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000166070140 361848766 /nfs/dbraw/zinc/84/87/66/361848766.db2.gz MYHPBQCHVHHCMF-QWRGUYRKSA-N 2 2 209.293 0.586 20 0 BCADLP C[C@H](O)[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000166070140 361848768 /nfs/dbraw/zinc/84/87/68/361848768.db2.gz MYHPBQCHVHHCMF-QWRGUYRKSA-N 2 2 209.293 0.586 20 0 BCADLP C[C@H]([NH3+])[C@H](C)C(=O)NCc1[nH+]ccn1C ZINC000165447345 361840882 /nfs/dbraw/zinc/84/08/82/361840882.db2.gz JHMNWAKSYXCTBR-YUMQZZPRSA-N 2 2 210.281 0.020 20 0 BCADLP CC(C)[C@H](C(=O)NCCc1[nH]cc[nH+]1)[C@@H](C)[NH3+] ZINC000399606551 342739800 /nfs/dbraw/zinc/73/98/00/342739800.db2.gz WUVNHRLQFPNGQR-KOLCDFICSA-N 2 2 238.335 0.688 20 0 BCADLP C[NH2+]C1(CNC(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC000630004410 361894197 /nfs/dbraw/zinc/89/41/97/361894197.db2.gz XCUUHRIJHYZZGD-UHFFFAOYSA-N 2 2 236.319 0.601 20 0 BCADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000042589367 538978066 /nfs/dbraw/zinc/97/80/66/538978066.db2.gz HJFDPKMSKKMEAK-GFCCVEGCSA-N 2 2 241.379 0.785 20 0 BCADLP Cn1cc[nH+]c1-c1ccc(OC[C@H](O)C[NH3+])cc1 ZINC000630053701 361923959 /nfs/dbraw/zinc/92/39/59/361923959.db2.gz YBMAQTSEHUKNBV-LLVKDONJSA-N 2 2 247.298 0.786 20 0 BCADLP c1c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)nn2c1CCC2 ZINC000649491708 398289668 /nfs/dbraw/zinc/28/96/68/398289668.db2.gz ZHCFXJZXMKHRAJ-QWRGUYRKSA-N 2 2 232.331 0.481 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)O ZINC000380241917 538987910 /nfs/dbraw/zinc/98/79/10/538987910.db2.gz NJYXWMWZJUPUOP-KOLCDFICSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)O ZINC000380241917 538987911 /nfs/dbraw/zinc/98/79/11/538987911.db2.gz NJYXWMWZJUPUOP-KOLCDFICSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)O ZINC000380241932 538988091 /nfs/dbraw/zinc/98/80/91/538988091.db2.gz NJYXWMWZJUPUOP-ONGXEEELSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)O ZINC000380241932 538988093 /nfs/dbraw/zinc/98/80/93/538988093.db2.gz NJYXWMWZJUPUOP-ONGXEEELSA-N 2 2 212.337 0.830 20 0 BCADLP COc1ccncc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000379875121 538981195 /nfs/dbraw/zinc/98/11/95/538981195.db2.gz RQRNJZABXLBOAJ-GHMZBOCLSA-N 2 2 233.315 0.741 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1CC(C)(C)C1)C1CC1 ZINC000382036101 539008307 /nfs/dbraw/zinc/00/83/07/539008307.db2.gz GKQWNOPOXMKHDK-NSHDSACASA-N 2 2 212.337 0.783 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCn1cncn1 ZINC000390460764 539022303 /nfs/dbraw/zinc/02/23/03/539022303.db2.gz FRIYINBEKWEMSA-GHMZBOCLSA-N 2 2 223.324 0.208 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCn1cncn1 ZINC000390460764 539022304 /nfs/dbraw/zinc/02/23/04/539022304.db2.gz FRIYINBEKWEMSA-GHMZBOCLSA-N 2 2 223.324 0.208 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000011754717 342843090 /nfs/dbraw/zinc/84/30/90/342843090.db2.gz ZZHYBMWDGJSWCA-ZDUSSCGKSA-N 2 2 247.342 0.851 20 0 BCADLP Cn1ncc2c1nc[nH+]c2NC1CC[NH2+]CC1 ZINC000037116600 398302108 /nfs/dbraw/zinc/30/21/08/398302108.db2.gz VOJZTLVPJUUBIS-UHFFFAOYSA-N 2 2 232.291 0.527 20 0 BCADLP OCCOCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000132930384 398308888 /nfs/dbraw/zinc/30/88/88/398308888.db2.gz TVHWLYJGFAORNR-UHFFFAOYSA-N 2 2 242.363 0.556 20 0 BCADLP COc1cncc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000625103450 342858617 /nfs/dbraw/zinc/85/86/17/342858617.db2.gz YQHHDINJZMHVLI-AOOOYVTPSA-N 2 2 234.303 0.136 20 0 BCADLP COc1cncc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000625103450 342858618 /nfs/dbraw/zinc/85/86/18/342858618.db2.gz YQHHDINJZMHVLI-AOOOYVTPSA-N 2 2 234.303 0.136 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnnn1C ZINC000129710206 398309656 /nfs/dbraw/zinc/30/96/56/398309656.db2.gz MRKLWAYONXXTLZ-VIFPVBQESA-N 2 2 220.280 0.190 20 0 BCADLP CSC[C@@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000300769034 259327682 /nfs/dbraw/zinc/32/76/82/259327682.db2.gz XWPSZPZJHPQHRE-ZJUUUORDSA-N 2 2 245.392 0.087 20 0 BCADLP CSC[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000300769034 259327684 /nfs/dbraw/zinc/32/76/84/259327684.db2.gz XWPSZPZJHPQHRE-ZJUUUORDSA-N 2 2 245.392 0.087 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)C)C[C@H]1C ZINC000351518113 136246776 /nfs/dbraw/zinc/24/67/76/136246776.db2.gz LAZUFZQVPLFALP-NEPJUHHUSA-N 2 2 241.379 0.879 20 0 BCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)C)C[C@H]1C ZINC000351518113 136246777 /nfs/dbraw/zinc/24/67/77/136246777.db2.gz LAZUFZQVPLFALP-NEPJUHHUSA-N 2 2 241.379 0.879 20 0 BCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)C)C[C@H]1C ZINC000351518113 136246778 /nfs/dbraw/zinc/24/67/78/136246778.db2.gz LAZUFZQVPLFALP-NEPJUHHUSA-N 2 2 241.379 0.879 20 0 BCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)C)C[C@H]1C ZINC000351518113 136246779 /nfs/dbraw/zinc/24/67/79/136246779.db2.gz LAZUFZQVPLFALP-NEPJUHHUSA-N 2 2 241.379 0.879 20 0 BCADLP C[C@H]([NH3+])CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000037607269 398332443 /nfs/dbraw/zinc/33/24/43/398332443.db2.gz QQDNQNJORRLWQD-NSHDSACASA-N 2 2 248.330 0.468 20 0 BCADLP FC1(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000580311278 346890987 /nfs/dbraw/zinc/89/09/87/346890987.db2.gz DJCAJCFULOSLKP-LLVKDONJSA-N 2 2 227.327 0.468 20 0 BCADLP CC[C@@H](CO)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000309066982 529515482 /nfs/dbraw/zinc/51/54/82/529515482.db2.gz ZZXFHHUQKVPMRW-SCVCMEIPSA-N 2 2 212.337 0.830 20 0 BCADLP CC[C@@H](CO)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000309066982 529515484 /nfs/dbraw/zinc/51/54/84/529515484.db2.gz ZZXFHHUQKVPMRW-SCVCMEIPSA-N 2 2 212.337 0.830 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[C@H]([NH3+])C1 ZINC000493852098 529557613 /nfs/dbraw/zinc/55/76/13/529557613.db2.gz HYLKNRNGWWCOMD-XOULXFPDSA-N 2 2 234.303 0.476 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)NCC1([NH3+])CCC1 ZINC000493220642 529559050 /nfs/dbraw/zinc/55/90/50/529559050.db2.gz HXLIEVACPCQNNB-PLNGDYQASA-N 2 2 248.330 0.914 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000493138136 529560632 /nfs/dbraw/zinc/56/06/32/529560632.db2.gz HLCJTIDYBSXCBD-DGWZLVPASA-N 2 2 246.314 0.250 20 0 BCADLP CC[C@H]([NH2+]C1CN(C(=O)OC)C1)[C@@H]1CCC[NH2+]1 ZINC000496904067 529585605 /nfs/dbraw/zinc/58/56/05/529585605.db2.gz ULWBJLBDQZVWLJ-QWRGUYRKSA-N 2 2 241.335 0.557 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nncn1C ZINC000162609090 349767154 /nfs/dbraw/zinc/76/71/54/349767154.db2.gz HRMYAYNIOSHMPM-UHFFFAOYSA-N 2 2 248.334 0.842 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nncn1C ZINC000162609090 349767157 /nfs/dbraw/zinc/76/71/57/349767157.db2.gz HRMYAYNIOSHMPM-UHFFFAOYSA-N 2 2 248.334 0.842 20 0 BCADLP CC(C)[C@@H](CO)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000394098123 259345671 /nfs/dbraw/zinc/34/56/71/259345671.db2.gz SARJPVALYLRHLH-UPJWGTAASA-N 2 2 244.379 0.608 20 0 BCADLP C[C@H](C[NH+]1CCCCC1)[NH2+]CCC(N)=O ZINC000049501021 343110742 /nfs/dbraw/zinc/11/07/42/343110742.db2.gz CEESZVDUJRMHES-SNVBAGLBSA-N 2 2 213.325 0.326 20 0 BCADLP CC[C@H]([NH3+])CNC(=O)CCn1cc[nH+]c1 ZINC000082578996 362065212 /nfs/dbraw/zinc/06/52/12/362065212.db2.gz GQWXLJCGZOVDLJ-VIFPVBQESA-N 2 2 210.281 0.127 20 0 BCADLP C[NH2+]C(C)(C)c1cn(Cc2[nH+]ccn2C)nn1 ZINC000640952332 362096473 /nfs/dbraw/zinc/09/64/73/362096473.db2.gz HCWVIKIAMLGVTQ-UHFFFAOYSA-N 2 2 234.307 0.514 20 0 BCADLP CC[NH+](CC)Cc1cn(Cc2[nH+]ccn2C)nn1 ZINC000640952380 362097088 /nfs/dbraw/zinc/09/70/88/362097088.db2.gz HIPHENNFSLRLJX-UHFFFAOYSA-N 2 2 248.334 0.902 20 0 BCADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]CCC(N)=O ZINC000049555515 343111793 /nfs/dbraw/zinc/11/17/93/343111793.db2.gz VJUNFLORZZQEKO-JTQLQIEISA-N 2 2 215.341 0.428 20 0 BCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[NH+](C)CC1 ZINC000387602402 346928273 /nfs/dbraw/zinc/92/82/73/346928273.db2.gz WFZAOAPFASSRQN-LLVKDONJSA-N 2 2 241.379 0.785 20 0 BCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[NH+](C)CC1 ZINC000387602407 346928309 /nfs/dbraw/zinc/92/83/09/346928309.db2.gz WFZAOAPFASSRQN-NSHDSACASA-N 2 2 241.379 0.785 20 0 BCADLP C[C@H]1CC[NH2+][C@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000127692128 343178376 /nfs/dbraw/zinc/17/83/76/343178376.db2.gz DIAZVWHEBGIBNF-UWVGGRQHSA-N 2 2 236.319 0.457 20 0 BCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C(C)(C)C ZINC000129953709 343179514 /nfs/dbraw/zinc/17/95/14/343179514.db2.gz XYVVKJXKTMPTMB-LLVKDONJSA-N 2 2 241.379 0.785 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NC1CCCC1 ZINC000124585800 343163649 /nfs/dbraw/zinc/16/36/49/343163649.db2.gz ZYAIFNHCVWWOKP-GHMZBOCLSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NC1CCCC1 ZINC000124585800 343163650 /nfs/dbraw/zinc/16/36/50/343163650.db2.gz ZYAIFNHCVWWOKP-GHMZBOCLSA-N 2 2 239.363 0.857 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000133610178 343185406 /nfs/dbraw/zinc/18/54/06/343185406.db2.gz XFHSPAQFBQJSAM-QWRGUYRKSA-N 2 2 227.352 0.714 20 0 BCADLP CCCCNC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000133610178 343185408 /nfs/dbraw/zinc/18/54/08/343185408.db2.gz XFHSPAQFBQJSAM-QWRGUYRKSA-N 2 2 227.352 0.714 20 0 BCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000125152929 343165816 /nfs/dbraw/zinc/16/58/16/343165816.db2.gz YHHWPMHZTHPMNI-IUCAKERBSA-N 2 2 222.292 0.066 20 0 BCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccn(C)n1 ZINC000124001019 343166626 /nfs/dbraw/zinc/16/66/26/343166626.db2.gz FDBMRAMCBHPOLK-NXEZZACHSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccn(C)n1 ZINC000124001019 343166629 /nfs/dbraw/zinc/16/66/29/343166629.db2.gz FDBMRAMCBHPOLK-NXEZZACHSA-N 2 2 208.309 0.589 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000133606238 343185661 /nfs/dbraw/zinc/18/56/61/343185661.db2.gz ZLJWCHNZWKWZSH-WDEREUQCSA-N 2 2 227.352 0.570 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000133606238 343185662 /nfs/dbraw/zinc/18/56/62/343185662.db2.gz ZLJWCHNZWKWZSH-WDEREUQCSA-N 2 2 227.352 0.570 20 0 BCADLP CC(C)[NH2+]CCC(=O)NCCc1[nH]cc[nH+]1 ZINC000158544262 343200926 /nfs/dbraw/zinc/20/09/26/343200926.db2.gz JAYIIKYYFTWVRN-UHFFFAOYSA-N 2 2 224.308 0.457 20 0 BCADLP COC(=O)CCC[N@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000161167274 343204015 /nfs/dbraw/zinc/20/40/15/343204015.db2.gz RAQXQWPEHQEUQN-QWRGUYRKSA-N 2 2 244.335 0.378 20 0 BCADLP COC(=O)CCC[N@@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000161167274 343204017 /nfs/dbraw/zinc/20/40/17/343204017.db2.gz RAQXQWPEHQEUQN-QWRGUYRKSA-N 2 2 244.335 0.378 20 0 BCADLP CC[C@@H](C)CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000164535606 343207578 /nfs/dbraw/zinc/20/75/78/343207578.db2.gz ZHGQFIOBXCTBOI-MNOVXSKESA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@@H](C)CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000164535606 343207579 /nfs/dbraw/zinc/20/75/79/343207579.db2.gz ZHGQFIOBXCTBOI-MNOVXSKESA-N 2 2 227.352 0.524 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)CCC(C)(C)[NH3+] ZINC000078441525 488208055 /nfs/dbraw/zinc/20/80/55/488208055.db2.gz ZRKWJZBBZMGZSC-UHFFFAOYSA-N 2 2 238.335 0.896 20 0 BCADLP Cn1c[nH+]cc1CN[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108424021 343242695 /nfs/dbraw/zinc/24/26/95/343242695.db2.gz SBEZGNKVCGADET-GFCCVEGCSA-N 2 2 234.347 0.994 20 0 BCADLP Cn1c[nH+]cc1CN[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108424021 343242698 /nfs/dbraw/zinc/24/26/98/343242698.db2.gz SBEZGNKVCGADET-GFCCVEGCSA-N 2 2 234.347 0.994 20 0 BCADLP c1[nH]cc(Cn2cc(C3CC[NH2+]CC3)nn2)[nH+]1 ZINC000641035627 362147442 /nfs/dbraw/zinc/14/74/42/362147442.db2.gz RNRGUJAYSIKERY-UHFFFAOYSA-N 2 2 232.291 0.517 20 0 BCADLP c1[nH]cc(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)[nH+]1 ZINC000641035711 362147540 /nfs/dbraw/zinc/14/75/40/362147540.db2.gz WFHSOJSVUNFLIF-SECBINFHSA-N 2 2 232.291 0.202 20 0 BCADLP Cn1c[nH+]cc1Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000641037942 362150204 /nfs/dbraw/zinc/15/02/04/362150204.db2.gz JDVNNVRRQNABCZ-JTQLQIEISA-N 2 2 246.318 0.212 20 0 BCADLP Cc1[nH+]ccn1CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000348750801 136296837 /nfs/dbraw/zinc/29/68/37/136296837.db2.gz PTOJJDSSTAGJJQ-CHWSQXEVSA-N 3 2 234.347 0.733 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000036999317 343330231 /nfs/dbraw/zinc/33/02/31/343330231.db2.gz JVYRBNWAIPAAJH-QWRGUYRKSA-N 2 2 236.319 0.530 20 0 BCADLP C[NH2+]C(C)(C)c1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000641054154 362163802 /nfs/dbraw/zinc/16/38/02/362163802.db2.gz SGTCXCIVIOZVCY-UHFFFAOYSA-N 2 2 234.307 0.514 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccnn1C ZINC000037158284 343337282 /nfs/dbraw/zinc/33/72/82/343337282.db2.gz OOEHZSUEKGOZBW-JTQLQIEISA-N 2 2 219.292 0.795 20 0 BCADLP O=C1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)CN1C1CC1 ZINC000335648873 136304842 /nfs/dbraw/zinc/30/48/42/136304842.db2.gz IAPWKYYWQRABCC-VHSXEESVSA-N 2 2 223.320 0.091 20 0 BCADLP Cc1cc(CNC(=O)N[C@H]2CC[NH2+]C2)cc(C)[nH+]1 ZINC000335608770 136298651 /nfs/dbraw/zinc/29/86/51/136298651.db2.gz IQYAQROTJMNYNG-LBPRGKRZSA-N 2 2 248.330 0.860 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H]2C(F)F)C1 ZINC000348149994 536878448 /nfs/dbraw/zinc/87/84/48/536878448.db2.gz KIEHZEYRRPDNDP-AEJSXWLSSA-N 2 2 234.290 0.950 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H]2C(F)F)C1 ZINC000348149994 536878453 /nfs/dbraw/zinc/87/84/53/536878453.db2.gz KIEHZEYRRPDNDP-AEJSXWLSSA-N 2 2 234.290 0.950 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(CCO)CC1 ZINC000310236257 343399127 /nfs/dbraw/zinc/39/91/27/343399127.db2.gz IHLSHKGEYBCWFJ-ZDUSSCGKSA-N 2 2 244.379 0.393 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CCO)CC1 ZINC000310236257 343399128 /nfs/dbraw/zinc/39/91/28/343399128.db2.gz IHLSHKGEYBCWFJ-ZDUSSCGKSA-N 2 2 244.379 0.393 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040462035 343404528 /nfs/dbraw/zinc/40/45/28/343404528.db2.gz ILNCKVRFQOZOKD-VHSXEESVSA-N 2 2 238.335 0.761 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+]Cc1c[nH+]cn1C ZINC000082393970 343440746 /nfs/dbraw/zinc/44/07/46/343440746.db2.gz UODXJZCOEMWXDU-QMMMGPOBSA-N 2 2 210.281 0.034 20 0 BCADLP CC(C)NC(=O)C[NH2+]Cc1c[nH+]cn1C ZINC000082394011 343440837 /nfs/dbraw/zinc/44/08/37/343440837.db2.gz HTOSCLFWCMSBTD-UHFFFAOYSA-N 2 2 210.281 0.034 20 0 BCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000576983526 365743368 /nfs/dbraw/zinc/74/33/68/365743368.db2.gz UULUUUWYXIPTET-GHMZBOCLSA-N 2 2 248.330 0.608 20 0 BCADLP C[C@@H](C[NH2+]C[C@@H]1CCCOC1)[NH+](C)C ZINC000082581120 343452520 /nfs/dbraw/zinc/45/25/20/343452520.db2.gz KIZWYVGAAIXQQP-QWRGUYRKSA-N 2 2 200.326 0.953 20 0 BCADLP C[NH+]1CCC([NH2+]C[C@@H](O)C(F)(F)F)CC1 ZINC000082680755 343460075 /nfs/dbraw/zinc/46/00/75/343460075.db2.gz XGORAEYEECXXHY-MRVPVSSYSA-N 2 2 226.242 0.593 20 0 BCADLP Cc1ncsc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000082632873 343458401 /nfs/dbraw/zinc/45/84/01/343458401.db2.gz VBEDJWYMCPLHIS-QMMMGPOBSA-N 2 2 215.322 0.203 20 0 BCADLP Cc1ncsc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000082632873 343458402 /nfs/dbraw/zinc/45/84/02/343458402.db2.gz VBEDJWYMCPLHIS-QMMMGPOBSA-N 2 2 215.322 0.203 20 0 BCADLP Cn1cc(C[NH2+]CC(C)(C)C[NH+](C)C)nn1 ZINC000054858465 136373205 /nfs/dbraw/zinc/37/32/05/136373205.db2.gz HKKTWVFYNJTDAB-UHFFFAOYSA-N 2 2 225.340 0.493 20 0 BCADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCOC3=O)CC[C@@H]21 ZINC000247980380 136373537 /nfs/dbraw/zinc/37/35/37/136373537.db2.gz IHPDGEABQJCQPI-WOPDTQHZSA-N 2 2 238.331 0.718 20 0 BCADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCOC3=O)CC[C@@H]21 ZINC000247980380 136373538 /nfs/dbraw/zinc/37/35/38/136373538.db2.gz IHPDGEABQJCQPI-WOPDTQHZSA-N 2 2 238.331 0.718 20 0 BCADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCOC3=O)CC[C@@H]21 ZINC000247980380 136373539 /nfs/dbraw/zinc/37/35/39/136373539.db2.gz IHPDGEABQJCQPI-WOPDTQHZSA-N 2 2 238.331 0.718 20 0 BCADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCOC3=O)CC[C@@H]21 ZINC000247980380 136373540 /nfs/dbraw/zinc/37/35/40/136373540.db2.gz IHPDGEABQJCQPI-WOPDTQHZSA-N 2 2 238.331 0.718 20 0 BCADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NCC1CC1 ZINC000261542467 136374450 /nfs/dbraw/zinc/37/44/50/136374450.db2.gz CGLFVILNLJTRBY-NEPJUHHUSA-N 2 2 237.347 0.196 20 0 BCADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NCC1CC1 ZINC000261542467 136374451 /nfs/dbraw/zinc/37/44/51/136374451.db2.gz CGLFVILNLJTRBY-NEPJUHHUSA-N 2 2 237.347 0.196 20 0 BCADLP C[NH+](C)C1(CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000622721595 343574437 /nfs/dbraw/zinc/57/44/37/343574437.db2.gz YPLFCAASUHNBKY-UHFFFAOYSA-N 2 2 236.319 0.553 20 0 BCADLP CN(CC1C[NH+](C)C1)C(=O)CCc1c[nH+]c[nH]1 ZINC000618191144 343561052 /nfs/dbraw/zinc/56/10/52/343561052.db2.gz VMFCBIGWJVHUQY-UHFFFAOYSA-N 2 2 236.319 0.362 20 0 BCADLP CN(CC1C[NH+](C)C1)C(=O)CCc1c[nH]c[nH+]1 ZINC000618191144 343561053 /nfs/dbraw/zinc/56/10/53/343561053.db2.gz VMFCBIGWJVHUQY-UHFFFAOYSA-N 2 2 236.319 0.362 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](OC)C1 ZINC000379964300 365767448 /nfs/dbraw/zinc/76/74/48/365767448.db2.gz HMRQNRSDBLQGSP-MNOVXSKESA-N 2 2 216.325 0.020 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](OC)C1 ZINC000379964300 365767453 /nfs/dbraw/zinc/76/74/53/365767453.db2.gz HMRQNRSDBLQGSP-MNOVXSKESA-N 2 2 216.325 0.020 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](OC)C1 ZINC000379964300 365767456 /nfs/dbraw/zinc/76/74/56/365767456.db2.gz HMRQNRSDBLQGSP-MNOVXSKESA-N 2 2 216.325 0.020 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](OC)C1 ZINC000379964300 365767461 /nfs/dbraw/zinc/76/74/61/365767461.db2.gz HMRQNRSDBLQGSP-MNOVXSKESA-N 2 2 216.325 0.020 20 0 BCADLP C[NH2+][C@@H](C)c1cn(Cc2ccc[nH+]c2N)nn1 ZINC000641165326 362248293 /nfs/dbraw/zinc/24/82/93/362248293.db2.gz BFWDTUYRDABFCF-QMMMGPOBSA-N 2 2 232.291 0.584 20 0 BCADLP COC[C@H]([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000087479419 343650701 /nfs/dbraw/zinc/65/07/01/343650701.db2.gz FKQMXVIVSLXOPK-NSHDSACASA-N 2 2 209.293 0.898 20 0 BCADLP OCCCCC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625438566 343739981 /nfs/dbraw/zinc/73/99/81/343739981.db2.gz XHFAKKINQIPKDN-UHFFFAOYSA-N 2 2 209.293 0.930 20 0 BCADLP OCCCCC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625438566 343739982 /nfs/dbraw/zinc/73/99/82/343739982.db2.gz XHFAKKINQIPKDN-UHFFFAOYSA-N 2 2 209.293 0.930 20 0 BCADLP Cn1ccc(C[N@@H+]2CCc3[nH+]c[nH]c3C2)cc1=O ZINC000625438791 343740677 /nfs/dbraw/zinc/74/06/77/343740677.db2.gz YBAMPGLUGSJQLP-UHFFFAOYSA-N 2 2 244.298 0.667 20 0 BCADLP Cn1ccc(C[N@H+]2CCc3[nH+]c[nH]c3C2)cc1=O ZINC000625438791 343740678 /nfs/dbraw/zinc/74/06/78/343740678.db2.gz YBAMPGLUGSJQLP-UHFFFAOYSA-N 2 2 244.298 0.667 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]CC1(O)CCCC1 ZINC000576107820 343714030 /nfs/dbraw/zinc/71/40/30/343714030.db2.gz ADAAUCBGCNMRST-UHFFFAOYSA-N 2 2 230.352 0.195 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]CC1(O)CCCC1 ZINC000576107820 343714031 /nfs/dbraw/zinc/71/40/31/343714031.db2.gz ADAAUCBGCNMRST-UHFFFAOYSA-N 2 2 230.352 0.195 20 0 BCADLP C[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1[nH]cc[nH+]1 ZINC000286045904 537809197 /nfs/dbraw/zinc/80/91/97/537809197.db2.gz KTYYSJZFBGBUDX-MNOVXSKESA-N 2 2 238.335 0.517 20 0 BCADLP COC(=O)[C@@H]1CC12CC[NH+](C[C@H](C)[NH3+])CC2 ZINC000584113772 343759544 /nfs/dbraw/zinc/75/95/44/343759544.db2.gz HDQNPZQYTQMAIO-UWVGGRQHSA-N 2 2 226.320 0.609 20 0 BCADLP C[NH2+]Cc1noc([C@@H]2CCCCC[NH2+]2)n1 ZINC000576941604 343767216 /nfs/dbraw/zinc/76/72/16/343767216.db2.gz DZBBITDBTOXQPH-QMMMGPOBSA-N 2 2 210.281 0.994 20 0 BCADLP C[N@@H+]1CC[C@@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493183883 537813370 /nfs/dbraw/zinc/81/33/70/537813370.db2.gz FVYDHQQDIIQCMK-PBKGFPTLSA-N 2 2 234.303 0.491 20 0 BCADLP C[N@H+]1CC[C@@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493183883 537813382 /nfs/dbraw/zinc/81/33/82/537813382.db2.gz FVYDHQQDIIQCMK-PBKGFPTLSA-N 2 2 234.303 0.491 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)CC1(C)COC1 ZINC000625790075 344077665 /nfs/dbraw/zinc/07/76/65/344077665.db2.gz BDQZKLHAARFLGR-UHFFFAOYSA-N 2 2 209.293 0.851 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)CC1(C)COC1 ZINC000625790075 344077667 /nfs/dbraw/zinc/07/76/67/344077667.db2.gz BDQZKLHAARFLGR-UHFFFAOYSA-N 2 2 209.293 0.851 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000625874015 344275666 /nfs/dbraw/zinc/27/56/66/344275666.db2.gz MJMHMTYIXSZJSS-GXSJLCMTSA-N 2 2 234.303 0.684 20 0 BCADLP Cn1c[nH+]cc1CN1CC[N@H+](C)C(C)(C)C1 ZINC000569550071 344310654 /nfs/dbraw/zinc/31/06/54/344310654.db2.gz PZRRPZSQINRQMO-UHFFFAOYSA-N 2 2 222.336 0.946 20 0 BCADLP CCOC(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094072504 344325488 /nfs/dbraw/zinc/32/54/88/344325488.db2.gz WVEWORWBYKXWTF-UHFFFAOYSA-N 2 2 244.335 0.379 20 0 BCADLP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1[nH+]ccn1C ZINC000620599712 344334020 /nfs/dbraw/zinc/33/40/20/344334020.db2.gz HZACVQGULDFHLD-ZJUUUORDSA-N 2 2 236.319 0.549 20 0 BCADLP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1[nH+]ccn1C ZINC000620599712 344334024 /nfs/dbraw/zinc/33/40/24/344334024.db2.gz HZACVQGULDFHLD-ZJUUUORDSA-N 2 2 236.319 0.549 20 0 BCADLP CN(C[C@H]1CC[N@H+](C)C1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493438246 529969703 /nfs/dbraw/zinc/96/97/03/529969703.db2.gz XNSIDGMEISSCIP-UFFNRZRYSA-N 2 2 248.330 0.833 20 0 BCADLP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493438246 529969707 /nfs/dbraw/zinc/96/97/07/529969707.db2.gz XNSIDGMEISSCIP-UFFNRZRYSA-N 2 2 248.330 0.833 20 0 BCADLP COC(=O)CCCC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000600699478 344359267 /nfs/dbraw/zinc/35/92/67/344359267.db2.gz AOWDOKXEQLMXML-SNVBAGLBSA-N 2 2 214.309 0.753 20 0 BCADLP COC(=O)CCCC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000600699478 344359268 /nfs/dbraw/zinc/35/92/68/344359268.db2.gz AOWDOKXEQLMXML-SNVBAGLBSA-N 2 2 214.309 0.753 20 0 BCADLP CNC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000132493523 344301884 /nfs/dbraw/zinc/30/18/84/344301884.db2.gz BJKGMWOEMJYVEW-GUBZILKMSA-N 2 2 213.325 0.051 20 0 BCADLP CNC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000132493523 344301886 /nfs/dbraw/zinc/30/18/86/344301886.db2.gz BJKGMWOEMJYVEW-GUBZILKMSA-N 2 2 213.325 0.051 20 0 BCADLP c1nc(N[C@H]2CC[NH2+]C2)c2c([nH+]1)NCCO2 ZINC000634809033 344393572 /nfs/dbraw/zinc/39/35/72/344393572.db2.gz IZOIZVYVWWERCO-ZETCQYMHSA-N 2 2 221.264 0.055 20 0 BCADLP COc1c(C)[nH+]cnc1N[C@@H](C)[C@H](C)[NH3+] ZINC000634810490 344395366 /nfs/dbraw/zinc/39/53/66/344395366.db2.gz YKFFXBDITUEILY-BQBZGAKWSA-N 2 2 210.281 0.941 20 0 BCADLP CN(c1nc[nH+]c(N)c1Cl)[C@@H](C[NH3+])C1CC1 ZINC000634811349 344396553 /nfs/dbraw/zinc/39/65/53/344396553.db2.gz BWCWKZRXPNOGTM-ZETCQYMHSA-N 2 2 241.726 0.886 20 0 BCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](CCC[NH3+])COC ZINC000300023264 344509882 /nfs/dbraw/zinc/50/98/82/344509882.db2.gz DHMDNWKGVBRSMD-CHWSQXEVSA-N 3 2 243.395 0.814 20 0 BCADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](CCC[NH3+])COC ZINC000300023264 344509884 /nfs/dbraw/zinc/50/98/84/344509884.db2.gz DHMDNWKGVBRSMD-CHWSQXEVSA-N 3 2 243.395 0.814 20 0 BCADLP Nc1cccc(C[N@H+](CC[NH3+])CCO)c1 ZINC000381527650 344518131 /nfs/dbraw/zinc/51/81/31/344518131.db2.gz XLUOTDXMBNRZBP-UHFFFAOYSA-N 2 2 209.293 0.022 20 0 BCADLP Nc1cccc(C[N@@H+](CC[NH3+])CCO)c1 ZINC000381527650 344518132 /nfs/dbraw/zinc/51/81/32/344518132.db2.gz XLUOTDXMBNRZBP-UHFFFAOYSA-N 2 2 209.293 0.022 20 0 BCADLP COC(=O)CCC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044557033 344543114 /nfs/dbraw/zinc/54/31/14/344543114.db2.gz LENXVURPGQNSJM-SNVBAGLBSA-N 2 2 214.309 0.753 20 0 BCADLP COC(=O)CCC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044557033 344543115 /nfs/dbraw/zinc/54/31/15/344543115.db2.gz LENXVURPGQNSJM-SNVBAGLBSA-N 2 2 214.309 0.753 20 0 BCADLP Fc1c[nH+]ccc1NCC[N@@H+]1CCCOCC1 ZINC000641521670 362479419 /nfs/dbraw/zinc/47/94/19/362479419.db2.gz LLXVLORZUATNLC-UHFFFAOYSA-N 2 2 239.294 0.777 20 0 BCADLP Fc1c[nH+]ccc1NCC[N@H+]1CCCOCC1 ZINC000641521670 362479424 /nfs/dbraw/zinc/47/94/24/362479424.db2.gz LLXVLORZUATNLC-UHFFFAOYSA-N 2 2 239.294 0.777 20 0 BCADLP C[N@H+](CC[C@H]1CCC[NH+]1C)CC(=O)NC1CC1 ZINC000163674630 323077012 /nfs/dbraw/zinc/07/70/12/323077012.db2.gz SKPFLBBQNMORKB-GFCCVEGCSA-N 2 2 239.363 0.681 20 0 BCADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)CC(=O)NC1CC1 ZINC000163674630 323077013 /nfs/dbraw/zinc/07/70/13/323077013.db2.gz SKPFLBBQNMORKB-GFCCVEGCSA-N 2 2 239.363 0.681 20 0 BCADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)CC(=O)NC1CC1 ZINC000163674630 323077014 /nfs/dbraw/zinc/07/70/14/323077014.db2.gz SKPFLBBQNMORKB-GFCCVEGCSA-N 2 2 239.363 0.681 20 0 BCADLP C[NH+](CC[C@H]1CCC[N@H+]1C)CC(=O)NC1CC1 ZINC000163674630 323077015 /nfs/dbraw/zinc/07/70/15/323077015.db2.gz SKPFLBBQNMORKB-GFCCVEGCSA-N 2 2 239.363 0.681 20 0 BCADLP C[N@H+]1CC=C(CNC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493181996 530047102 /nfs/dbraw/zinc/04/71/02/530047102.db2.gz CYEHECHAOVJEHP-NSCUHMNNSA-N 2 2 246.314 0.801 20 0 BCADLP C[N@@H+]1CC=C(CNC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493181996 530047103 /nfs/dbraw/zinc/04/71/03/530047103.db2.gz CYEHECHAOVJEHP-NSCUHMNNSA-N 2 2 246.314 0.801 20 0 BCADLP C[N@@H+]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493464179 530053204 /nfs/dbraw/zinc/05/32/04/530053204.db2.gz WEIOSMJVEMRLLP-ARJAWSKDSA-N 2 2 234.303 0.587 20 0 BCADLP C[N@H+]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493464179 530053205 /nfs/dbraw/zinc/05/32/05/530053205.db2.gz WEIOSMJVEMRLLP-ARJAWSKDSA-N 2 2 234.303 0.587 20 0 BCADLP C[N@@H+]1CCC[C@H]1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493285734 530063190 /nfs/dbraw/zinc/06/31/90/530063190.db2.gz ALHLIZZTGBWPPI-YEZKRMTDSA-N 2 2 234.303 0.633 20 0 BCADLP C[N@H+]1CCC[C@H]1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493285734 530063191 /nfs/dbraw/zinc/06/31/91/530063191.db2.gz ALHLIZZTGBWPPI-YEZKRMTDSA-N 2 2 234.303 0.633 20 0 BCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000628149020 344835470 /nfs/dbraw/zinc/83/54/70/344835470.db2.gz JPALRBGSRPCXMH-JTQLQIEISA-N 2 2 247.302 0.802 20 0 BCADLP Cc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)on1 ZINC000631113516 344923223 /nfs/dbraw/zinc/92/32/23/344923223.db2.gz YQSLXGHAZHHEDD-NSHDSACASA-N 2 2 225.292 0.139 20 0 BCADLP C[NH2+]Cc1noc(C[C@H]2CCCC[C@H]2[NH3+])n1 ZINC000583440315 344964443 /nfs/dbraw/zinc/96/44/43/344964443.db2.gz YZXSLFLJSGWBJD-RKDXNWHRSA-N 2 2 224.308 0.849 20 0 BCADLP C[NH2+]Cc1noc(C[C@H]2CCCC[C@@H]2[NH3+])n1 ZINC000583440312 344964557 /nfs/dbraw/zinc/96/45/57/344964557.db2.gz YZXSLFLJSGWBJD-BDAKNGLRSA-N 2 2 224.308 0.849 20 0 BCADLP Cc1ncc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000628191377 344945989 /nfs/dbraw/zinc/94/59/89/344945989.db2.gz ISRVPGUSIKAXHG-UWVGGRQHSA-N 2 2 207.277 0.634 20 0 BCADLP C[N@H+](C[C@H](O)C[NH2+]C1CC[NH+](C)CC1)C1CC1 ZINC000310430732 259382517 /nfs/dbraw/zinc/38/25/17/259382517.db2.gz SPVPHGLQGPEFSJ-CYBMUJFWSA-N 3 2 241.379 0.125 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH2+]C1CC[NH+](C)CC1)C1CC1 ZINC000310430732 259382518 /nfs/dbraw/zinc/38/25/18/259382518.db2.gz SPVPHGLQGPEFSJ-CYBMUJFWSA-N 3 2 241.379 0.125 20 0 BCADLP O=C1CCCN1[C@@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994474 345182081 /nfs/dbraw/zinc/18/20/81/345182081.db2.gz DWVUDUPOLVBWDL-MBHSVXNSSA-N 2 2 249.358 0.435 20 0 BCADLP O=C1CCCN1[C@@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994474 345182083 /nfs/dbraw/zinc/18/20/83/345182083.db2.gz DWVUDUPOLVBWDL-MBHSVXNSSA-N 2 2 249.358 0.435 20 0 BCADLP CC(C)[C@H](C[NH3+])C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000634994893 345182585 /nfs/dbraw/zinc/18/25/85/345182585.db2.gz PIHMCJOCKNYZBS-VXGBXAGGSA-N 3 2 213.369 0.949 20 0 BCADLP CC(C)[C@H](C[NH3+])C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000634994890 345182666 /nfs/dbraw/zinc/18/26/66/345182666.db2.gz PIHMCJOCKNYZBS-NEPJUHHUSA-N 3 2 213.369 0.949 20 0 BCADLP CC(C)[C@@H](C[NH3+])C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000634994891 345182754 /nfs/dbraw/zinc/18/27/54/345182754.db2.gz PIHMCJOCKNYZBS-NWDGAFQWSA-N 3 2 213.369 0.949 20 0 BCADLP C[NH+]1CCN(CCC[NH2+]Cc2ccon2)CC1 ZINC000634950159 345126502 /nfs/dbraw/zinc/12/65/02/345126502.db2.gz LAWJCWITDXIVBZ-UHFFFAOYSA-N 2 2 238.335 0.402 20 0 BCADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1ccon1)CC2 ZINC000634977003 345153485 /nfs/dbraw/zinc/15/34/85/345153485.db2.gz NNSQTZFMTFMVOF-VIFPVBQESA-N 2 2 218.260 0.976 20 0 BCADLP C[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1n1cc[nH+]c1 ZINC000156408256 345158928 /nfs/dbraw/zinc/15/89/28/345158928.db2.gz WGUSFLQHBPFJFX-ZJUUUORDSA-N 2 2 222.292 0.251 20 0 BCADLP C[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1n1cc[nH+]c1 ZINC000156408256 345158929 /nfs/dbraw/zinc/15/89/29/345158929.db2.gz WGUSFLQHBPFJFX-ZJUUUORDSA-N 2 2 222.292 0.251 20 0 BCADLP Cn1c[nH+]cc1C[NH2+][C@@H]1CCCN(C)C1=O ZINC000381289606 345246453 /nfs/dbraw/zinc/24/64/53/345246453.db2.gz CSJFTHGPLMBNLI-SNVBAGLBSA-N 2 2 222.292 0.131 20 0 BCADLP O=C1[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)CCN1C1CCC1 ZINC000634997756 345196711 /nfs/dbraw/zinc/19/67/11/345196711.db2.gz RUTOSQIEWYTEEY-KHJSKFAYSA-N 2 2 249.358 0.481 20 0 BCADLP Cc1[nH]ncc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999554 345199950 /nfs/dbraw/zinc/19/99/50/345199950.db2.gz WCJVOCGKHDEBHF-PSASIEDQSA-N 2 2 208.309 0.745 20 0 BCADLP Cc1[nH]ncc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999554 345199953 /nfs/dbraw/zinc/19/99/53/345199953.db2.gz WCJVOCGKHDEBHF-PSASIEDQSA-N 2 2 208.309 0.745 20 0 BCADLP OCC[NH2+]C1CC[NH+](CC2(F)CC2)CC1 ZINC000635001882 345203336 /nfs/dbraw/zinc/20/33/36/345203336.db2.gz FCJJVQMHJVYYJS-UHFFFAOYSA-N 2 2 216.300 0.535 20 0 BCADLP CC(C)[C@@H](C[NH3+])C[NH+]1CCC([NH2+]CCO)CC1 ZINC000635002290 345203896 /nfs/dbraw/zinc/20/38/96/345203896.db2.gz NHYQFASEKMVMMT-LBPRGKRZSA-N 3 2 243.395 0.264 20 0 BCADLP C[NH2+]C[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC000132633815 345338537 /nfs/dbraw/zinc/33/85/37/345338537.db2.gz ZDMBCAVJAPEKPH-JTQLQIEISA-N 2 2 224.308 0.245 20 0 BCADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCOC3=O)CC[C@@H]21 ZINC000158628203 345357344 /nfs/dbraw/zinc/35/73/44/345357344.db2.gz IHPDGEABQJCQPI-GRYCIOLGSA-N 2 2 238.331 0.718 20 0 BCADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCOC3=O)CC[C@@H]21 ZINC000158628203 345357347 /nfs/dbraw/zinc/35/73/47/345357347.db2.gz IHPDGEABQJCQPI-GRYCIOLGSA-N 2 2 238.331 0.718 20 0 BCADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCOC3=O)CC[C@@H]21 ZINC000158628203 345357350 /nfs/dbraw/zinc/35/73/50/345357350.db2.gz IHPDGEABQJCQPI-GRYCIOLGSA-N 2 2 238.331 0.718 20 0 BCADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCOC3=O)CC[C@@H]21 ZINC000158628203 345357353 /nfs/dbraw/zinc/35/73/53/345357353.db2.gz IHPDGEABQJCQPI-GRYCIOLGSA-N 2 2 238.331 0.718 20 0 BCADLP C[C@H](C[NH+](C)C)[NH2+]C[C@H]1CCCOC1 ZINC000159081043 345405103 /nfs/dbraw/zinc/40/51/03/345405103.db2.gz JINOUDXBCAVLMM-GHMZBOCLSA-N 2 2 200.326 0.953 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCn1cc[nH+]c1 ZINC000635528920 345437124 /nfs/dbraw/zinc/43/71/24/345437124.db2.gz XQDCXQJWZOHRIB-NXEZZACHSA-N 2 2 237.307 0.014 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCCn1cc[nH+]c1 ZINC000635528921 345437692 /nfs/dbraw/zinc/43/76/92/345437692.db2.gz XQDCXQJWZOHRIB-UWVGGRQHSA-N 2 2 237.307 0.014 20 0 BCADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC(N)=O)C1 ZINC000081631422 345488505 /nfs/dbraw/zinc/48/85/05/345488505.db2.gz SLSMAUIHNCSLDV-LLVKDONJSA-N 2 2 225.336 0.135 20 0 BCADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC(N)=O)C1 ZINC000081631422 345488506 /nfs/dbraw/zinc/48/85/06/345488506.db2.gz SLSMAUIHNCSLDV-LLVKDONJSA-N 2 2 225.336 0.135 20 0 BCADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC(N)=O)C1 ZINC000081631422 345488507 /nfs/dbraw/zinc/48/85/07/345488507.db2.gz SLSMAUIHNCSLDV-LLVKDONJSA-N 2 2 225.336 0.135 20 0 BCADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC000081631422 345488508 /nfs/dbraw/zinc/48/85/08/345488508.db2.gz SLSMAUIHNCSLDV-LLVKDONJSA-N 2 2 225.336 0.135 20 0 BCADLP CN(CC1C[NH+](C)C1)c1cc(CO)cc[nH+]1 ZINC000641658629 362583504 /nfs/dbraw/zinc/58/35/04/362583504.db2.gz HEVFSFAJPYIQJJ-UHFFFAOYSA-N 2 2 221.304 0.572 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cn[nH]c1 ZINC000393603731 345555876 /nfs/dbraw/zinc/55/58/76/345555876.db2.gz AKJYPYVNPDMYHD-SECBINFHSA-N 2 2 205.265 0.785 20 0 BCADLP CC[C@@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926574 345566578 /nfs/dbraw/zinc/56/65/78/345566578.db2.gz POQANOXGNPMQJH-LLVKDONJSA-N 2 2 238.335 0.313 20 0 BCADLP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@H]1O ZINC000336713271 187308212 /nfs/dbraw/zinc/30/82/12/187308212.db2.gz OLIOPFWASNMNSM-RTXFEEFZSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@H]1O ZINC000336713271 187308214 /nfs/dbraw/zinc/30/82/14/187308214.db2.gz OLIOPFWASNMNSM-RTXFEEFZSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@@H]1O ZINC000336713271 187308215 /nfs/dbraw/zinc/30/82/15/187308215.db2.gz OLIOPFWASNMNSM-RTXFEEFZSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@@H]1O ZINC000336713271 187308217 /nfs/dbraw/zinc/30/82/17/187308217.db2.gz OLIOPFWASNMNSM-RTXFEEFZSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093170177 345658008 /nfs/dbraw/zinc/65/80/08/345658008.db2.gz IBGHXCFTUIMWSU-NSHDSACASA-N 2 2 225.336 0.102 20 0 BCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093170177 345658010 /nfs/dbraw/zinc/65/80/10/345658010.db2.gz IBGHXCFTUIMWSU-NSHDSACASA-N 2 2 225.336 0.102 20 0 BCADLP COCc1cc(C[NH2+]CCn2cc[nH+]c2)no1 ZINC000641703269 362612772 /nfs/dbraw/zinc/61/27/72/362612772.db2.gz LOEPWOQEAWJPIE-UHFFFAOYSA-N 2 2 236.275 0.807 20 0 BCADLP [NH3+]CC[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000221922738 345747458 /nfs/dbraw/zinc/74/74/58/345747458.db2.gz JOUFCENBFSDOQF-NSHDSACASA-N 2 2 225.336 0.280 20 0 BCADLP [NH3+]CC[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000221922738 345747468 /nfs/dbraw/zinc/74/74/68/345747468.db2.gz JOUFCENBFSDOQF-NSHDSACASA-N 2 2 225.336 0.280 20 0 BCADLP C[C@H](C(=O)NCCCCn1cc[nH+]c1)[NH+](C)C ZINC000635562418 345770993 /nfs/dbraw/zinc/77/09/93/345770993.db2.gz YYXYHFKQFQDFBX-LLVKDONJSA-N 2 2 238.335 0.730 20 0 BCADLP CC[C@H](C(=O)NCCc1cn(C)c[nH+]1)[NH+](C)C ZINC000622685949 345801725 /nfs/dbraw/zinc/80/17/25/345801725.db2.gz RHSMKJMRMQLWCV-LLVKDONJSA-N 2 2 238.335 0.419 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C1(C[NH+](C)C)CC1 ZINC000635639301 345912836 /nfs/dbraw/zinc/91/28/36/345912836.db2.gz ZWVASKYBOITYJE-UHFFFAOYSA-N 2 2 236.319 0.676 20 0 BCADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000635756718 346051315 /nfs/dbraw/zinc/05/13/15/346051315.db2.gz ICHKKQPBEYPIFO-GMTAPVOTSA-N 2 2 227.352 0.488 20 0 BCADLP CCc1c[nH]c(CC(=O)N2CC([NH+](C)C)C2)[nH+]1 ZINC000635744344 346055141 /nfs/dbraw/zinc/05/51/41/346055141.db2.gz OSFNECARPRXFMI-UHFFFAOYSA-N 2 2 236.319 0.287 20 0 BCADLP COC(=O)[C@H](CC(C)C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000586760916 346067439 /nfs/dbraw/zinc/06/74/39/346067439.db2.gz RUWQEOXWIXKNCT-TUAOUCFPSA-N 2 2 240.347 0.725 20 0 BCADLP COC(=O)[C@H](CC(C)C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000586760916 346067441 /nfs/dbraw/zinc/06/74/41/346067441.db2.gz RUWQEOXWIXKNCT-TUAOUCFPSA-N 2 2 240.347 0.725 20 0 BCADLP CC(C)CNC(=O)C[N@H+](C)CCC[NH3+] ZINC000019834692 187314438 /nfs/dbraw/zinc/31/44/38/187314438.db2.gz HHULQNMJAOTKRJ-UHFFFAOYSA-N 2 2 201.314 0.039 20 0 BCADLP CC(C)CNC(=O)C[N@@H+](C)CCC[NH3+] ZINC000019834692 187314440 /nfs/dbraw/zinc/31/44/40/187314440.db2.gz HHULQNMJAOTKRJ-UHFFFAOYSA-N 2 2 201.314 0.039 20 0 BCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000635985453 346138838 /nfs/dbraw/zinc/13/88/38/346138838.db2.gz IOMBCQPAPDZFPR-MNOVXSKESA-N 2 2 248.330 0.266 20 0 BCADLP C[N@H+]1CC[C@H](CC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000635985453 346138840 /nfs/dbraw/zinc/13/88/40/346138840.db2.gz IOMBCQPAPDZFPR-MNOVXSKESA-N 2 2 248.330 0.266 20 0 BCADLP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000332014265 187365887 /nfs/dbraw/zinc/36/58/87/187365887.db2.gz PZTSTOAHMCMOPG-TUAOUCFPSA-N 3 2 213.369 0.947 20 0 BCADLP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)c1[nH]cc[nH+]1 ZINC000635951444 346121841 /nfs/dbraw/zinc/12/18/41/346121841.db2.gz FELXLCPQYUMBKW-SECBINFHSA-N 2 2 236.319 0.929 20 0 BCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)[NH+](C)C ZINC000635973003 346128800 /nfs/dbraw/zinc/12/88/00/346128800.db2.gz WEHDTCVZKKMYTQ-GHMZBOCLSA-N 2 2 227.352 0.489 20 0 BCADLP C[N@@H+]1CC[C@H]([NH2+]C2(C(N)=O)CC2)CC1(C)C ZINC000628238079 346194970 /nfs/dbraw/zinc/19/49/70/346194970.db2.gz KIESFSIEGHWRCL-VIFPVBQESA-N 2 2 225.336 0.467 20 0 BCADLP C[N@H+]1CC[C@H]([NH2+]C2(C(N)=O)CC2)CC1(C)C ZINC000628238079 346194973 /nfs/dbraw/zinc/19/49/73/346194973.db2.gz KIESFSIEGHWRCL-VIFPVBQESA-N 2 2 225.336 0.467 20 0 BCADLP CCOCC[C@@H](O)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000571073816 537972659 /nfs/dbraw/zinc/97/26/59/537972659.db2.gz DDYWKSIUJSHQGF-VXGBXAGGSA-N 2 2 241.335 0.649 20 0 BCADLP CC1(C)C[NH+](CC(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000574926166 346414896 /nfs/dbraw/zinc/41/48/96/346414896.db2.gz VQOTVEQGMISWSG-UHFFFAOYSA-N 2 2 239.363 0.539 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cnc2cnccn12 ZINC000333122938 537979061 /nfs/dbraw/zinc/97/90/61/537979061.db2.gz IOJYLDBAAFLLFT-CMPLNLGQSA-N 2 2 245.330 0.959 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)C1CC([NH3+])C1 ZINC000641799965 362744475 /nfs/dbraw/zinc/74/44/75/362744475.db2.gz UAAMQRAFMDPDJU-UHFFFAOYSA-N 3 2 208.309 0.384 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)C1CC([NH3+])C1 ZINC000641799965 362744478 /nfs/dbraw/zinc/74/44/78/362744478.db2.gz UAAMQRAFMDPDJU-UHFFFAOYSA-N 3 2 208.309 0.384 20 0 BCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc[nH+]cc1O ZINC000575056439 346456634 /nfs/dbraw/zinc/45/66/34/346456634.db2.gz BTYKKZMWEYPRQN-YUMQZZPRSA-N 2 2 221.260 0.146 20 0 BCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CCc1c[nH+]cn1C ZINC000641799325 362748343 /nfs/dbraw/zinc/74/83/43/362748343.db2.gz UJUQCSCQIKLWJC-LBPRGKRZSA-N 3 2 224.352 0.926 20 0 BCADLP CC[C@@](C)(CO)[NH2+]Cc1c[nH+]c(C)n1C ZINC000563439064 323125704 /nfs/dbraw/zinc/12/57/04/323125704.db2.gz IJCKDSKNTRZREM-NSHDSACASA-N 2 2 211.309 0.979 20 0 BCADLP CCCn1ncnc1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641800628 362751327 /nfs/dbraw/zinc/75/13/27/362751327.db2.gz CAKDSRNPJZIKNL-ZJUUUORDSA-N 2 2 237.351 0.904 20 0 BCADLP CCCn1ncnc1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641800625 362751578 /nfs/dbraw/zinc/75/15/78/362751578.db2.gz CAKDSRNPJZIKNL-NXEZZACHSA-N 2 2 237.351 0.904 20 0 BCADLP Cn1nc(C2CC2)nc1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641801781 362756323 /nfs/dbraw/zinc/75/63/23/362756323.db2.gz VKUJUFPMLGKJJI-ZJUUUORDSA-N 2 2 249.362 0.908 20 0 BCADLP CCn1ncnc1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641802063 362757844 /nfs/dbraw/zinc/75/78/44/362757844.db2.gz HJXPDQRDGGOOPQ-IUCAKERBSA-N 2 2 223.324 0.513 20 0 BCADLP C[C@@H](CN1CCOCC1)[N@@H+]1CCC[NH2+]CC1 ZINC000580196504 346652084 /nfs/dbraw/zinc/65/20/84/346652084.db2.gz OKPREGFBGYYGIG-LBPRGKRZSA-N 2 2 227.352 0.002 20 0 BCADLP C[C@@H](CN1CCOCC1)[N@H+]1CCC[NH2+]CC1 ZINC000580196504 346652086 /nfs/dbraw/zinc/65/20/86/346652086.db2.gz OKPREGFBGYYGIG-LBPRGKRZSA-N 2 2 227.352 0.002 20 0 BCADLP O=C(C[NH2+]C1CC1)NCCNc1cccc[nH+]1 ZINC000580187414 346637599 /nfs/dbraw/zinc/63/75/99/346637599.db2.gz VOFULLVUXCKHPX-UHFFFAOYSA-N 2 2 234.303 0.362 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000380225806 346724603 /nfs/dbraw/zinc/72/46/03/346724603.db2.gz OBPJOMZCMDJERL-NSHDSACASA-N 2 2 222.292 0.334 20 0 BCADLP Cn1c[nH+]cc1CNc1cnn(CC[NH+](C)C)c1 ZINC000589260271 346681544 /nfs/dbraw/zinc/68/15/44/346681544.db2.gz JHOQCHUJVQUPJH-UHFFFAOYSA-N 2 2 248.334 0.790 20 0 BCADLP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1COC[C@@H]1O ZINC000352807218 187370819 /nfs/dbraw/zinc/37/08/19/187370819.db2.gz WQXAKHSPXITLRC-UTUOFQBUSA-N 2 2 228.336 0.162 20 0 BCADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1COC[C@@H]1O ZINC000352807218 187370820 /nfs/dbraw/zinc/37/08/20/187370820.db2.gz WQXAKHSPXITLRC-UTUOFQBUSA-N 2 2 228.336 0.162 20 0 BCADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1COC[C@@H]1O ZINC000352807218 187370822 /nfs/dbraw/zinc/37/08/22/187370822.db2.gz WQXAKHSPXITLRC-UTUOFQBUSA-N 2 2 228.336 0.162 20 0 BCADLP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1COC[C@@H]1O ZINC000352807218 187370824 /nfs/dbraw/zinc/37/08/24/187370824.db2.gz WQXAKHSPXITLRC-UTUOFQBUSA-N 2 2 228.336 0.162 20 0 BCADLP CCSCC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000252688624 346761404 /nfs/dbraw/zinc/76/14/04/346761404.db2.gz OVCZJELFFPWCRJ-UWVGGRQHSA-N 2 2 218.366 0.788 20 0 BCADLP CCSCC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000252688624 346761406 /nfs/dbraw/zinc/76/14/06/346761406.db2.gz OVCZJELFFPWCRJ-UWVGGRQHSA-N 2 2 218.366 0.788 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)Cc1cccnc1 ZINC000380077298 365854216 /nfs/dbraw/zinc/85/42/16/365854216.db2.gz RLAMWTFMJOVFQT-CYBMUJFWSA-N 2 2 237.347 0.826 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1cccnc1 ZINC000380077298 365854220 /nfs/dbraw/zinc/85/42/20/365854220.db2.gz RLAMWTFMJOVFQT-CYBMUJFWSA-N 2 2 237.347 0.826 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)Cc1cccnc1 ZINC000380077298 365854222 /nfs/dbraw/zinc/85/42/22/365854222.db2.gz RLAMWTFMJOVFQT-CYBMUJFWSA-N 2 2 237.347 0.826 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1cccnc1 ZINC000380077298 365854225 /nfs/dbraw/zinc/85/42/25/365854225.db2.gz RLAMWTFMJOVFQT-CYBMUJFWSA-N 2 2 237.347 0.826 20 0 BCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1=CC[N@H+](C)CC1 ZINC000580244221 346795612 /nfs/dbraw/zinc/79/56/12/346795612.db2.gz CVTOOCKGIMNKOO-LLVKDONJSA-N 2 2 248.330 0.650 20 0 BCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1=CC[N@@H+](C)CC1 ZINC000580244221 346795615 /nfs/dbraw/zinc/79/56/15/346795615.db2.gz CVTOOCKGIMNKOO-LLVKDONJSA-N 2 2 248.330 0.650 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@@]13C[C@@H]1C[NH2+]C3)C2 ZINC000622004864 370655538 /nfs/dbraw/zinc/65/55/38/370655538.db2.gz VXKGSTIBTRIKQT-NDBYEHHHSA-N 3 2 221.348 0.409 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@@]13C[C@@H]1C[NH2+]C3)C2 ZINC000622004864 370655541 /nfs/dbraw/zinc/65/55/41/370655541.db2.gz VXKGSTIBTRIKQT-NDBYEHHHSA-N 3 2 221.348 0.409 20 0 BCADLP CCCC[C@@H]([NH3+])C(=O)NCc1[nH]c[nH+]c1C ZINC000380212820 347143466 /nfs/dbraw/zinc/14/34/66/347143466.db2.gz IJVKWRNEYRZQAM-SECBINFHSA-N 2 2 224.308 0.852 20 0 BCADLP CCn1cc[nH+]c1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000581260457 347368749 /nfs/dbraw/zinc/36/87/49/347368749.db2.gz IROHZBXJEXMYJR-JTQLQIEISA-N 2 2 236.319 0.471 20 0 BCADLP CCn1cc[nH+]c1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000581260457 347368751 /nfs/dbraw/zinc/36/87/51/347368751.db2.gz IROHZBXJEXMYJR-JTQLQIEISA-N 2 2 236.319 0.471 20 0 BCADLP COCCC[N@H+](C)CC[NH2+][C@H]1CCOC[C@H]1C ZINC000192603175 347379080 /nfs/dbraw/zinc/37/90/80/347379080.db2.gz HAWHVUVASOZZGF-OLZOCXBDSA-N 2 2 244.379 0.969 20 0 BCADLP COCCC[N@@H+](C)CC[NH2+][C@H]1CCOC[C@H]1C ZINC000192603175 347379083 /nfs/dbraw/zinc/37/90/83/347379083.db2.gz HAWHVUVASOZZGF-OLZOCXBDSA-N 2 2 244.379 0.969 20 0 BCADLP Cc1cccc2[nH+]c(CNC(=O)C[NH3+])cn21 ZINC000083909213 179230290 /nfs/dbraw/zinc/23/02/90/179230290.db2.gz XZOJLLPIZBWKPT-UHFFFAOYSA-N 2 2 218.260 0.218 20 0 BCADLP Cc1cccc2[nH+]c(CNC(=O)CC[NH3+])cn21 ZINC000083909220 179230603 /nfs/dbraw/zinc/23/06/03/179230603.db2.gz ZRNHMXZFURDMNK-UHFFFAOYSA-N 2 2 232.287 0.608 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000616925394 347455573 /nfs/dbraw/zinc/45/55/73/347455573.db2.gz GKVPZLUOBTUDER-JTQLQIEISA-N 2 2 222.292 0.462 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000616925394 347455577 /nfs/dbraw/zinc/45/55/77/347455577.db2.gz GKVPZLUOBTUDER-JTQLQIEISA-N 2 2 222.292 0.462 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000616925394 347455580 /nfs/dbraw/zinc/45/55/80/347455580.db2.gz GKVPZLUOBTUDER-JTQLQIEISA-N 2 2 222.292 0.462 20 0 BCADLP CC(C)[N@H+](C)CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616924675 347455848 /nfs/dbraw/zinc/45/58/48/347455848.db2.gz RTRLFTYQDAXMJZ-UHFFFAOYSA-N 2 2 224.308 0.708 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616924675 347455851 /nfs/dbraw/zinc/45/58/51/347455851.db2.gz RTRLFTYQDAXMJZ-UHFFFAOYSA-N 2 2 224.308 0.708 20 0 BCADLP CC(C)[N@H+](C)CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616924675 347455853 /nfs/dbraw/zinc/45/58/53/347455853.db2.gz RTRLFTYQDAXMJZ-UHFFFAOYSA-N 2 2 224.308 0.708 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616924675 347455856 /nfs/dbraw/zinc/45/58/56/347455856.db2.gz RTRLFTYQDAXMJZ-UHFFFAOYSA-N 2 2 224.308 0.708 20 0 BCADLP O=C1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)CCN1 ZINC000396668039 362827681 /nfs/dbraw/zinc/82/76/81/362827681.db2.gz QKBPFWRYEZKCPP-MNOVXSKESA-N 2 2 237.347 0.481 20 0 BCADLP O=C1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)CCN1 ZINC000396668039 362827685 /nfs/dbraw/zinc/82/76/85/362827685.db2.gz QKBPFWRYEZKCPP-MNOVXSKESA-N 2 2 237.347 0.481 20 0 BCADLP CO[C@H]1C[C@@H](C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000623822845 347446018 /nfs/dbraw/zinc/44/60/18/347446018.db2.gz BDAOAZNDBLZTIA-WYUUTHIRSA-N 2 2 212.337 0.951 20 0 BCADLP CO[C@H]1C[C@@H](C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000623822845 347446020 /nfs/dbraw/zinc/44/60/20/347446020.db2.gz BDAOAZNDBLZTIA-WYUUTHIRSA-N 2 2 212.337 0.951 20 0 BCADLP CO[C@H]1C[C@@H](C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000623822846 347446271 /nfs/dbraw/zinc/44/62/71/347446271.db2.gz BDAOAZNDBLZTIA-YFKTTZPYSA-N 2 2 212.337 0.951 20 0 BCADLP CO[C@H]1C[C@@H](C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000623822846 347446276 /nfs/dbraw/zinc/44/62/76/347446276.db2.gz BDAOAZNDBLZTIA-YFKTTZPYSA-N 2 2 212.337 0.951 20 0 BCADLP CC[C@H](C(=O)N(C)Cc1c[nH+]c[nH]1)[NH+](C)C ZINC000616926871 347459523 /nfs/dbraw/zinc/45/95/23/347459523.db2.gz SQCDLXPFUDSRSC-SNVBAGLBSA-N 2 2 224.308 0.708 20 0 BCADLP CC[C@H](C(=O)N(C)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC000616926871 347459525 /nfs/dbraw/zinc/45/95/25/347459525.db2.gz SQCDLXPFUDSRSC-SNVBAGLBSA-N 2 2 224.308 0.708 20 0 BCADLP CSC[C@H](O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000188166484 259395694 /nfs/dbraw/zinc/39/56/94/259395694.db2.gz CLBNEXDPHBMCRZ-LLVKDONJSA-N 2 2 243.376 0.929 20 0 BCADLP CSC[C@H](O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000188166484 259395696 /nfs/dbraw/zinc/39/56/96/259395696.db2.gz CLBNEXDPHBMCRZ-LLVKDONJSA-N 2 2 243.376 0.929 20 0 BCADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[NH+](C)C ZINC000591128649 347623018 /nfs/dbraw/zinc/62/30/18/347623018.db2.gz GYTDTAHTVWSISW-LLVKDONJSA-N 2 2 238.335 0.730 20 0 BCADLP COC(=O)CCC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591447874 347663625 /nfs/dbraw/zinc/66/36/25/347663625.db2.gz BNPKFEIAZYBQMD-QWRGUYRKSA-N 2 2 226.320 0.623 20 0 BCADLP COC(=O)CCC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591447874 347663628 /nfs/dbraw/zinc/66/36/28/347663628.db2.gz BNPKFEIAZYBQMD-QWRGUYRKSA-N 2 2 226.320 0.623 20 0 BCADLP CSC[C@@H](O)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000591733627 347694016 /nfs/dbraw/zinc/69/40/16/347694016.db2.gz CAPAKFUQWGMKBM-UWVGGRQHSA-N 2 2 218.366 0.394 20 0 BCADLP CSC[C@@H](O)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000591733627 347694018 /nfs/dbraw/zinc/69/40/18/347694018.db2.gz CAPAKFUQWGMKBM-UWVGGRQHSA-N 2 2 218.366 0.394 20 0 BCADLP c1cn([C@H]2CCC[N@@H+](CCn3cncn3)C2)c[nH+]1 ZINC000591869445 347704493 /nfs/dbraw/zinc/70/44/93/347704493.db2.gz WTRPIZPKLVRYMX-LBPRGKRZSA-N 2 2 246.318 0.812 20 0 BCADLP c1cn([C@H]2CCC[N@H+](CCn3cncn3)C2)c[nH+]1 ZINC000591869445 347704496 /nfs/dbraw/zinc/70/44/96/347704496.db2.gz WTRPIZPKLVRYMX-LBPRGKRZSA-N 2 2 246.318 0.812 20 0 BCADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NC1CC1 ZINC000591867748 347708646 /nfs/dbraw/zinc/70/86/46/347708646.db2.gz SCNQTTRCKPDCLA-GFCCVEGCSA-N 2 2 248.330 0.799 20 0 BCADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NC1CC1 ZINC000591867748 347708649 /nfs/dbraw/zinc/70/86/49/347708649.db2.gz SCNQTTRCKPDCLA-GFCCVEGCSA-N 2 2 248.330 0.799 20 0 BCADLP CSCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000591567801 347671119 /nfs/dbraw/zinc/67/11/19/347671119.db2.gz KHMHUHNLHXAPRS-WDEREUQCSA-N 2 2 230.377 0.706 20 0 BCADLP CC[C@@H](C)[N@@H+](CC(=O)OC)C[C@H]1CC[NH2+]C1 ZINC000592495846 347788280 /nfs/dbraw/zinc/78/82/80/347788280.db2.gz SBJLPYQWLBJOTF-MNOVXSKESA-N 2 2 228.336 0.869 20 0 BCADLP CC[C@@H](C)[N@H+](CC(=O)OC)C[C@H]1CC[NH2+]C1 ZINC000592495846 347788284 /nfs/dbraw/zinc/78/82/84/347788284.db2.gz SBJLPYQWLBJOTF-MNOVXSKESA-N 2 2 228.336 0.869 20 0 BCADLP CSCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593052672 347853033 /nfs/dbraw/zinc/85/30/33/347853033.db2.gz UGPSOMUPHNRJEE-UHFFFAOYSA-N 2 2 245.392 0.055 20 0 BCADLP CSCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593052672 347853035 /nfs/dbraw/zinc/85/30/35/347853035.db2.gz UGPSOMUPHNRJEE-UHFFFAOYSA-N 2 2 245.392 0.055 20 0 BCADLP CSC[C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593909992 347969380 /nfs/dbraw/zinc/96/93/80/347969380.db2.gz PPEJUTVFNXSICT-BDAKNGLRSA-N 2 2 233.381 0.133 20 0 BCADLP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[NH+](C)CC1 ZINC000257722581 179341985 /nfs/dbraw/zinc/34/19/85/179341985.db2.gz VAAVKQDCYRCQAK-ZDUSSCGKSA-N 2 2 247.342 0.769 20 0 BCADLP COC(=O)c1cc(C[N@H+](C)CC(C)(C)[NH3+])c[nH]1 ZINC000594736505 348109586 /nfs/dbraw/zinc/10/95/86/348109586.db2.gz QLKUFKLEPQUSGU-UHFFFAOYSA-N 2 2 239.319 0.970 20 0 BCADLP COC(=O)c1cc(C[N@@H+](C)CC(C)(C)[NH3+])c[nH]1 ZINC000594736505 348109589 /nfs/dbraw/zinc/10/95/89/348109589.db2.gz QLKUFKLEPQUSGU-UHFFFAOYSA-N 2 2 239.319 0.970 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000594919629 348153987 /nfs/dbraw/zinc/15/39/87/348153987.db2.gz IBEMUHQPKWFHIF-GWOFURMSSA-N 2 2 228.336 0.724 20 0 BCADLP C[C@H](C[NH2+]C[C@H]1CNc2ccnn2C1)[NH+](C)C ZINC000595143789 348199172 /nfs/dbraw/zinc/19/91/72/348199172.db2.gz FGUGSSVKZMUBTE-MNOVXSKESA-N 2 2 237.351 0.465 20 0 BCADLP O=C(/C=C/c1[nH]cc[nH+]1)N1CC[NH+]2CCC1CC2 ZINC000493826309 348228980 /nfs/dbraw/zinc/22/89/80/348228980.db2.gz RCDPMXCHJOPGOR-OWOJBTEDSA-N 2 2 246.314 0.730 20 0 BCADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)N(C)C)CC1 ZINC000035139924 358454173 /nfs/dbraw/zinc/45/41/73/358454173.db2.gz VPQULPDYTRJGBK-JTQLQIEISA-N 2 2 227.352 0.537 20 0 BCADLP Cn1cc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)nn1 ZINC000623489181 362914735 /nfs/dbraw/zinc/91/47/35/362914735.db2.gz SVOJIIBKACMBHF-SNVBAGLBSA-N 2 2 237.351 0.778 20 0 BCADLP Cn1cc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)nn1 ZINC000623489181 362914740 /nfs/dbraw/zinc/91/47/40/362914740.db2.gz SVOJIIBKACMBHF-SNVBAGLBSA-N 2 2 237.351 0.778 20 0 BCADLP C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000309098972 349985686 /nfs/dbraw/zinc/98/56/86/349985686.db2.gz DXPWKKWDBQCOMM-CBAPKCEASA-N 2 2 208.265 0.024 20 0 BCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CCC1 ZINC000129952876 490184341 /nfs/dbraw/zinc/18/43/41/490184341.db2.gz JFBOVKZVFCURPR-LLVKDONJSA-N 2 2 239.363 0.539 20 0 BCADLP C[NH+](C)C1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000153944129 538007260 /nfs/dbraw/zinc/00/72/60/538007260.db2.gz QUWVZQSNZBOWDX-UHFFFAOYSA-N 2 2 208.309 0.936 20 0 BCADLP COC(=O)C1(C)C[NH+](Cc2c[nH+]c(C)n2C)C1 ZINC000597160178 348666606 /nfs/dbraw/zinc/66/66/06/348666606.db2.gz KAQQEENLBWDUEZ-UHFFFAOYSA-N 2 2 237.303 0.723 20 0 BCADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000597187107 348684619 /nfs/dbraw/zinc/68/46/19/348684619.db2.gz OWOBQWFLSTZGFQ-WDEREUQCSA-N 2 2 242.319 0.001 20 0 BCADLP Cc1nc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cs1 ZINC000250907943 349181217 /nfs/dbraw/zinc/18/12/17/349181217.db2.gz VAJPJAKPEIPTQO-LLVKDONJSA-N 2 2 240.376 0.526 20 0 BCADLP Cc1nc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cs1 ZINC000250907943 349181218 /nfs/dbraw/zinc/18/12/18/349181218.db2.gz VAJPJAKPEIPTQO-LLVKDONJSA-N 2 2 240.376 0.526 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)OC)C1 ZINC000251581382 349188414 /nfs/dbraw/zinc/18/84/14/349188414.db2.gz XZOCPNWHAOHLRU-ZJUUUORDSA-N 2 2 214.309 0.479 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(=O)OC)C1 ZINC000251581382 349188417 /nfs/dbraw/zinc/18/84/17/349188417.db2.gz XZOCPNWHAOHLRU-ZJUUUORDSA-N 2 2 214.309 0.479 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000250400873 349171166 /nfs/dbraw/zinc/17/11/66/349171166.db2.gz SKLUKIFSVJSGGH-FRRDWIJNSA-N 3 2 240.395 0.092 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000250400873 349171168 /nfs/dbraw/zinc/17/11/68/349171168.db2.gz SKLUKIFSVJSGGH-FRRDWIJNSA-N 3 2 240.395 0.092 20 0 BCADLP CC[NH+](CC)CCC[NH2+]Cc1cn(C)nn1 ZINC000054858622 349238342 /nfs/dbraw/zinc/23/83/42/349238342.db2.gz UMNXJDWVISXTAO-UHFFFAOYSA-N 2 2 225.340 0.637 20 0 BCADLP Cc1c[nH]c(CN2CC[N@@H+](CCO)C[C@H]2C)[nH+]1 ZINC000628304479 349282070 /nfs/dbraw/zinc/28/20/70/349282070.db2.gz ZGQRBABFKPBIAJ-LLVKDONJSA-N 2 2 238.335 0.217 20 0 BCADLP Cc1c[nH]c(CN2CC[N@H+](CCO)C[C@H]2C)[nH+]1 ZINC000628304479 349282073 /nfs/dbraw/zinc/28/20/73/349282073.db2.gz ZGQRBABFKPBIAJ-LLVKDONJSA-N 2 2 238.335 0.217 20 0 BCADLP CSC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000300806257 349334221 /nfs/dbraw/zinc/33/42/21/349334221.db2.gz GJCHBBFDOQEMTD-SNVBAGLBSA-N 2 2 230.377 0.802 20 0 BCADLP CC[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000380971536 350021209 /nfs/dbraw/zinc/02/12/09/350021209.db2.gz APWHGKLVMCSBEV-NEPJUHHUSA-N 2 2 232.368 0.656 20 0 BCADLP CC[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000380971536 350021212 /nfs/dbraw/zinc/02/12/12/350021212.db2.gz APWHGKLVMCSBEV-NEPJUHHUSA-N 2 2 232.368 0.656 20 0 BCADLP CC[C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)CCOC ZINC000380971536 350021216 /nfs/dbraw/zinc/02/12/16/350021216.db2.gz APWHGKLVMCSBEV-NEPJUHHUSA-N 2 2 232.368 0.656 20 0 BCADLP CC[C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000380971536 350021220 /nfs/dbraw/zinc/02/12/20/350021220.db2.gz APWHGKLVMCSBEV-NEPJUHHUSA-N 2 2 232.368 0.656 20 0 BCADLP COC(=O)[C@@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000602016361 349417231 /nfs/dbraw/zinc/41/72/31/349417231.db2.gz DCWBIVQUXCUVRP-SQLBVSGCSA-N 2 2 224.304 0.233 20 0 BCADLP COC(=O)[C@@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000602016361 349417233 /nfs/dbraw/zinc/41/72/33/349417233.db2.gz DCWBIVQUXCUVRP-SQLBVSGCSA-N 2 2 224.304 0.233 20 0 BCADLP CC(C)([NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000083909162 191008168 /nfs/dbraw/zinc/00/81/68/191008168.db2.gz HXZUQMMFTNMZQB-UHFFFAOYSA-N 2 2 232.287 0.688 20 0 BCADLP Cc1ncccc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000131488616 191016571 /nfs/dbraw/zinc/01/65/71/191016571.db2.gz OJUIUZZXKMANIS-CYBMUJFWSA-N 2 2 237.347 0.792 20 0 BCADLP COC[C@H](C)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422699249 192434430 /nfs/dbraw/zinc/43/44/30/192434430.db2.gz CTUJYCGWWMGAOS-RAIGVLPGSA-N 2 2 242.363 0.626 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCOCCO)C[N@@H+]1C1CC1 ZINC000132200256 191027083 /nfs/dbraw/zinc/02/70/83/191027083.db2.gz DZWZHIZCXHNKTC-GHMZBOCLSA-N 2 2 228.336 0.210 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCOCCO)C[N@H+]1C1CC1 ZINC000132200256 191027085 /nfs/dbraw/zinc/02/70/85/191027085.db2.gz DZWZHIZCXHNKTC-GHMZBOCLSA-N 2 2 228.336 0.210 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000133218585 191038980 /nfs/dbraw/zinc/03/89/80/191038980.db2.gz ULHLTFJSWGJPCO-NWDGAFQWSA-N 2 2 230.352 0.579 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000133218585 191038982 /nfs/dbraw/zinc/03/89/82/191038982.db2.gz ULHLTFJSWGJPCO-NWDGAFQWSA-N 2 2 230.352 0.579 20 0 BCADLP Nc1cc(C[N@@H+]2CCC[NH2+]CC2)ccn1 ZINC000314582507 350173606 /nfs/dbraw/zinc/17/36/06/350173606.db2.gz GXKAWGDPERISDR-UHFFFAOYSA-N 2 2 206.293 0.459 20 0 BCADLP Nc1cc(C[N@H+]2CCC[NH2+]CC2)ccn1 ZINC000314582507 350173608 /nfs/dbraw/zinc/17/36/08/350173608.db2.gz GXKAWGDPERISDR-UHFFFAOYSA-N 2 2 206.293 0.459 20 0 BCADLP Cc1cnc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000427119904 191054346 /nfs/dbraw/zinc/05/43/46/191054346.db2.gz NUNWTWNMHCZLNC-YPMHNXCESA-N 2 2 232.331 0.969 20 0 BCADLP Cc1cnc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000427119904 191054348 /nfs/dbraw/zinc/05/43/48/191054348.db2.gz NUNWTWNMHCZLNC-YPMHNXCESA-N 2 2 232.331 0.969 20 0 BCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC(F)(F)C[NH3+] ZINC000427167182 191055691 /nfs/dbraw/zinc/05/56/91/191055691.db2.gz MBFDUBCIORFPKI-IUCAKERBSA-N 2 2 249.305 0.569 20 0 BCADLP O=C(C[C@@H]1CCC[NH2+]CC1)NCc1[nH]cc[nH+]1 ZINC000427321673 191059281 /nfs/dbraw/zinc/05/92/81/191059281.db2.gz QPOKZQYLMAWBKR-SNVBAGLBSA-N 2 2 236.319 0.806 20 0 BCADLP CC(C)([NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000040920476 191062854 /nfs/dbraw/zinc/06/28/54/191062854.db2.gz IVSRJPCOBRFQSV-UHFFFAOYSA-N 2 2 210.281 0.127 20 0 BCADLP Cc1ncc(C[NH2+]CCn2cc[nH+]c2)cn1 ZINC000309695063 180151309 /nfs/dbraw/zinc/15/13/09/180151309.db2.gz KWZHRUDENUMMFS-UHFFFAOYSA-N 2 2 217.276 0.771 20 0 BCADLP CCCC[N@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000309206791 350191738 /nfs/dbraw/zinc/19/17/38/350191738.db2.gz CNAZZIDPPUMCOR-LBPRGKRZSA-N 2 2 232.368 0.657 20 0 BCADLP CCCC[N@@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000309206791 350191742 /nfs/dbraw/zinc/19/17/42/350191742.db2.gz CNAZZIDPPUMCOR-LBPRGKRZSA-N 2 2 232.368 0.657 20 0 BCADLP CCCC[NH+](C)C[C@H](O)C[N@H+](C)CCOC ZINC000309206791 350191746 /nfs/dbraw/zinc/19/17/46/350191746.db2.gz CNAZZIDPPUMCOR-LBPRGKRZSA-N 2 2 232.368 0.657 20 0 BCADLP CCCC[NH+](C)C[C@H](O)C[N@@H+](C)CCOC ZINC000309206791 350191749 /nfs/dbraw/zinc/19/17/49/350191749.db2.gz CNAZZIDPPUMCOR-LBPRGKRZSA-N 2 2 232.368 0.657 20 0 BCADLP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261556778 535115171 /nfs/dbraw/zinc/11/51/71/535115171.db2.gz RAWWZJBOYFSNET-SDDRHHMPSA-N 2 2 239.363 0.442 20 0 BCADLP CCCNC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261556778 535115178 /nfs/dbraw/zinc/11/51/78/535115178.db2.gz RAWWZJBOYFSNET-SDDRHHMPSA-N 2 2 239.363 0.442 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@H]1CCCOCC1 ZINC000083425700 350208579 /nfs/dbraw/zinc/20/85/79/350208579.db2.gz TXFHFGIETRUMHO-LBPRGKRZSA-N 2 2 230.352 0.723 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@H]1CCCOCC1 ZINC000083425700 350208583 /nfs/dbraw/zinc/20/85/83/350208583.db2.gz TXFHFGIETRUMHO-LBPRGKRZSA-N 2 2 230.352 0.723 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000427508682 191078977 /nfs/dbraw/zinc/07/89/77/191078977.db2.gz DPPOKKJQZDDNKM-PWSUYJOCSA-N 2 2 248.330 0.423 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000427508682 191078979 /nfs/dbraw/zinc/07/89/79/191078979.db2.gz DPPOKKJQZDDNKM-PWSUYJOCSA-N 2 2 248.330 0.423 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@](F)(CO)C1 ZINC000338590797 180239315 /nfs/dbraw/zinc/23/93/15/180239315.db2.gz YOSZBRKFNYHTIR-GFCCVEGCSA-N 2 2 241.310 0.988 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@](F)(CO)C1 ZINC000338590797 180239316 /nfs/dbraw/zinc/23/93/16/180239316.db2.gz YOSZBRKFNYHTIR-GFCCVEGCSA-N 2 2 241.310 0.988 20 0 BCADLP Cc1[nH+]ccn1CC(=O)N1CC[NH+](C2CC2)CC1 ZINC000297825839 180230644 /nfs/dbraw/zinc/23/06/44/180230644.db2.gz NVCQDLCHNIIGRZ-UHFFFAOYSA-N 2 2 248.330 0.498 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nnc[nH]1 ZINC000336687437 180235209 /nfs/dbraw/zinc/23/52/09/180235209.db2.gz GSVAPHWXKOIUKB-UHFFFAOYSA-N 2 2 234.307 0.832 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nnc[nH]1 ZINC000336687437 180235213 /nfs/dbraw/zinc/23/52/13/180235213.db2.gz GSVAPHWXKOIUKB-UHFFFAOYSA-N 2 2 234.307 0.832 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000274463185 180249143 /nfs/dbraw/zinc/24/91/43/180249143.db2.gz MUAUPHKHXVHBQW-QFYYESIMSA-N 2 2 243.376 0.890 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000274463185 180249145 /nfs/dbraw/zinc/24/91/45/180249145.db2.gz MUAUPHKHXVHBQW-QFYYESIMSA-N 2 2 243.376 0.890 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CCNC1=O ZINC000346170335 180251556 /nfs/dbraw/zinc/25/15/56/180251556.db2.gz RCWCFKJIXBZYLQ-JTQLQIEISA-N 2 2 222.292 0.012 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCNC1=O ZINC000346170335 180251560 /nfs/dbraw/zinc/25/15/60/180251560.db2.gz RCWCFKJIXBZYLQ-JTQLQIEISA-N 2 2 222.292 0.012 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351817082 180254546 /nfs/dbraw/zinc/25/45/46/180254546.db2.gz UIMHDYKBXWULFG-MWLCHTKSSA-N 2 2 209.293 0.504 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351817082 180254548 /nfs/dbraw/zinc/25/45/48/180254548.db2.gz UIMHDYKBXWULFG-MWLCHTKSSA-N 2 2 209.293 0.504 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338623096 180254998 /nfs/dbraw/zinc/25/49/98/180254998.db2.gz ARQPWUUIBFAIJN-NSHDSACASA-N 2 2 227.283 0.598 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@](F)(CO)C1 ZINC000338623096 180255004 /nfs/dbraw/zinc/25/50/04/180255004.db2.gz ARQPWUUIBFAIJN-NSHDSACASA-N 2 2 227.283 0.598 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000299954243 180255187 /nfs/dbraw/zinc/25/51/87/180255187.db2.gz AUOVCFNJNRUITC-PWSUYJOCSA-N 2 2 239.319 0.273 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000299954243 180255190 /nfs/dbraw/zinc/25/51/90/180255190.db2.gz AUOVCFNJNRUITC-PWSUYJOCSA-N 2 2 239.319 0.273 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCn2cnnc2[C@H]1C ZINC000361988715 180255822 /nfs/dbraw/zinc/25/58/22/180255822.db2.gz WFMHUOXALQGMRZ-SNVBAGLBSA-N 2 2 246.318 0.860 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCn2cnnc2[C@H]1C ZINC000361988715 180255824 /nfs/dbraw/zinc/25/58/24/180255824.db2.gz WFMHUOXALQGMRZ-SNVBAGLBSA-N 2 2 246.318 0.860 20 0 BCADLP Cc1[nH+]ccn1CCNC(=O)c1c[nH+]ccc1N ZINC000261560310 180258076 /nfs/dbraw/zinc/25/80/76/180258076.db2.gz FGFCWIUTKXDGPH-UHFFFAOYSA-N 2 2 245.286 0.599 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+]1CCN(C)C(=O)C1 ZINC000270584241 180240664 /nfs/dbraw/zinc/24/06/64/180240664.db2.gz DCOGYVZPTRCJIN-UHFFFAOYSA-N 2 2 236.319 0.356 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN(C)C(=O)C1 ZINC000270584241 180240665 /nfs/dbraw/zinc/24/06/65/180240665.db2.gz DCOGYVZPTRCJIN-UHFFFAOYSA-N 2 2 236.319 0.356 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000136375900 180240930 /nfs/dbraw/zinc/24/09/30/180240930.db2.gz QTSRDHIWROAODC-JTQLQIEISA-N 2 2 236.319 0.402 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+]1CCNC(=O)[C@@H]1C ZINC000136375900 180240933 /nfs/dbraw/zinc/24/09/33/180240933.db2.gz QTSRDHIWROAODC-JTQLQIEISA-N 2 2 236.319 0.402 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCNC(=O)[C@H]1C ZINC000136375950 180240943 /nfs/dbraw/zinc/24/09/43/180240943.db2.gz QTSRDHIWROAODC-SNVBAGLBSA-N 2 2 236.319 0.402 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+]1CCNC(=O)[C@H]1C ZINC000136375950 180240946 /nfs/dbraw/zinc/24/09/46/180240946.db2.gz QTSRDHIWROAODC-SNVBAGLBSA-N 2 2 236.319 0.402 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000296332825 180241940 /nfs/dbraw/zinc/24/19/40/180241940.db2.gz UVJMXUITEGSIOC-JTQLQIEISA-N 2 2 236.319 0.402 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000296332825 180241943 /nfs/dbraw/zinc/24/19/43/180241943.db2.gz UVJMXUITEGSIOC-JTQLQIEISA-N 2 2 236.319 0.402 20 0 BCADLP Cc1[nH+]ccn1CCCNC(=O)C[NH+](C)C ZINC000338326013 180243819 /nfs/dbraw/zinc/24/38/19/180243819.db2.gz IPFHMVUGNWRDLO-UHFFFAOYSA-N 2 2 224.308 0.259 20 0 BCADLP CCNC(=O)[C@@H](C)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422774853 192463613 /nfs/dbraw/zinc/46/36/13/192463613.db2.gz YRQQXDJFDKZZCU-HBNTYKKESA-N 2 2 227.352 0.631 20 0 BCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000606372701 350321155 /nfs/dbraw/zinc/32/11/55/350321155.db2.gz UZUWFLOVCDPKDR-LBPRGKRZSA-N 2 2 248.330 0.751 20 0 BCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000606372701 350321159 /nfs/dbraw/zinc/32/11/59/350321159.db2.gz UZUWFLOVCDPKDR-LBPRGKRZSA-N 2 2 248.330 0.751 20 0 BCADLP C[C@@H](C[NH2+]Cc1cn[nH]c1)C[NH+]1CCOCC1 ZINC000606472546 350345218 /nfs/dbraw/zinc/34/52/18/350345218.db2.gz QKEQZISXUSYYBZ-NSHDSACASA-N 2 2 238.335 0.468 20 0 BCADLP Cc1ncsc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000125894543 180320045 /nfs/dbraw/zinc/32/00/45/180320045.db2.gz MVXRPBDOPFBDRY-LLVKDONJSA-N 2 2 243.376 0.854 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)CC(C)(C)O ZINC000384759512 350509886 /nfs/dbraw/zinc/50/98/86/350509886.db2.gz AAQSAOUOTFXBIW-WOPDTQHZSA-N 2 2 244.379 0.893 20 0 BCADLP Cc1cccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)n1 ZINC000386292044 362962338 /nfs/dbraw/zinc/96/23/38/362962338.db2.gz DAVCIXIGVCHNBP-AWEZNQCLSA-N 2 2 249.358 0.935 20 0 BCADLP Cc1cccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)n1 ZINC000386292044 362962341 /nfs/dbraw/zinc/96/23/41/362962341.db2.gz DAVCIXIGVCHNBP-AWEZNQCLSA-N 2 2 249.358 0.935 20 0 BCADLP COC[C@H](C)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070144022 350504211 /nfs/dbraw/zinc/50/42/11/350504211.db2.gz VLSJQCOGIKCOKJ-SNVBAGLBSA-N 2 2 240.351 0.858 20 0 BCADLP CC1(C[NH2+]CCC[NH+]2CCOCC2)COC1 ZINC000070616889 350550169 /nfs/dbraw/zinc/55/01/69/350550169.db2.gz KTARVYOPCROQJT-UHFFFAOYSA-N 2 2 228.336 0.335 20 0 BCADLP C[C@H]1CC[N@H+](CCn2cc[nH+]c2)[C@H](C(N)=O)C1 ZINC000187411124 350601974 /nfs/dbraw/zinc/60/19/74/350601974.db2.gz KMUNLIMZYGGPCZ-QWRGUYRKSA-N 2 2 236.319 0.469 20 0 BCADLP C[C@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@H](C(N)=O)C1 ZINC000187411124 350601977 /nfs/dbraw/zinc/60/19/77/350601977.db2.gz KMUNLIMZYGGPCZ-QWRGUYRKSA-N 2 2 236.319 0.469 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C(N)=O)C[N@@H+]1C1CC1 ZINC000163759624 350818943 /nfs/dbraw/zinc/81/89/43/350818943.db2.gz XDSZZCQFIXZKBO-VHSXEESVSA-N 2 2 239.363 0.713 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C(N)=O)C[N@H+]1C1CC1 ZINC000163759624 350818946 /nfs/dbraw/zinc/81/89/46/350818946.db2.gz XDSZZCQFIXZKBO-VHSXEESVSA-N 2 2 239.363 0.713 20 0 BCADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)[NH+]1CC(C)C1 ZINC000581734569 350774273 /nfs/dbraw/zinc/77/42/73/350774273.db2.gz PNBAMYLWOMMLLK-NWDGAFQWSA-N 2 2 239.363 0.489 20 0 BCADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)[NH+]1CC(C)C1 ZINC000581734569 350774274 /nfs/dbraw/zinc/77/42/74/350774274.db2.gz PNBAMYLWOMMLLK-NWDGAFQWSA-N 2 2 239.363 0.489 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCc2c[nH+]cn2C)n1C ZINC000623085906 350843626 /nfs/dbraw/zinc/84/36/26/350843626.db2.gz MSDVJFBWNKUCPG-UHFFFAOYSA-N 3 2 233.319 0.794 20 0 BCADLP C[C@@H]([NH3+])C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000571088218 350861075 /nfs/dbraw/zinc/86/10/75/350861075.db2.gz QYIOOIYEPLKNCL-SNVBAGLBSA-N 2 2 227.352 0.524 20 0 BCADLP CC[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000264171623 351224802 /nfs/dbraw/zinc/22/48/02/351224802.db2.gz WALYSMXWJFXTMC-UHFFFAOYSA-N 2 2 236.319 0.437 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H](O)C1 ZINC000414671328 351577997 /nfs/dbraw/zinc/57/79/97/351577997.db2.gz NVNJQYVDDMUDDR-QWRGUYRKSA-N 2 2 200.326 0.817 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H](O)C1 ZINC000414671328 351578001 /nfs/dbraw/zinc/57/80/01/351578001.db2.gz NVNJQYVDDMUDDR-QWRGUYRKSA-N 2 2 200.326 0.817 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000637819303 351659546 /nfs/dbraw/zinc/65/95/46/351659546.db2.gz SBUTZDLJUOFOJG-QMMMGPOBSA-N 2 2 222.292 0.081 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000637799592 351629108 /nfs/dbraw/zinc/62/91/08/351629108.db2.gz WPDHAXSWXSNZSC-SECBINFHSA-N 2 2 222.292 0.210 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]C1CC1 ZINC000637828574 351676953 /nfs/dbraw/zinc/67/69/53/351676953.db2.gz RRDDLNHWJGWQMX-UHFFFAOYSA-N 2 2 222.292 0.129 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)NCC[NH2+]C1CC1 ZINC000637828574 351676954 /nfs/dbraw/zinc/67/69/54/351676954.db2.gz RRDDLNHWJGWQMX-UHFFFAOYSA-N 2 2 222.292 0.129 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NC(C)(C)C[NH3+] ZINC000637831094 351684323 /nfs/dbraw/zinc/68/43/23/351684323.db2.gz QCSCHBRSRBAIIX-UHFFFAOYSA-N 2 2 210.281 0.114 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)NC(C)(C)C[NH3+] ZINC000637831094 351684324 /nfs/dbraw/zinc/68/43/24/351684324.db2.gz QCSCHBRSRBAIIX-UHFFFAOYSA-N 2 2 210.281 0.114 20 0 BCADLP COC[C@H](C[NH2+]Cc1c[nH+]c(C)n1C)OC ZINC000577747036 366052135 /nfs/dbraw/zinc/05/21/35/366052135.db2.gz PBXUMRPVUZPYDX-NSHDSACASA-N 2 2 227.308 0.480 20 0 BCADLP CCc1c[nH]c(CC(=O)N2CC[NH2+][C@H](C)C2)[nH+]1 ZINC000637841849 351698442 /nfs/dbraw/zinc/69/84/42/351698442.db2.gz QUWFVVOPWKEPLA-SECBINFHSA-N 2 2 236.319 0.335 20 0 BCADLP C[C@@](C[NH3+])(NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000637843198 351701895 /nfs/dbraw/zinc/70/18/95/351701895.db2.gz USVRCJUUCGGFIK-BREBYQMCSA-N 2 2 248.330 0.757 20 0 BCADLP C[C@@](C[NH3+])(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000637843198 351701898 /nfs/dbraw/zinc/70/18/98/351701898.db2.gz USVRCJUUCGGFIK-BREBYQMCSA-N 2 2 248.330 0.757 20 0 BCADLP CC[NH2+]CCNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000637826811 351674122 /nfs/dbraw/zinc/67/41/22/351674122.db2.gz IDMNYHMLVBEFRK-UHFFFAOYSA-N 2 2 246.314 0.982 20 0 BCADLP CCC([NH3+])(CC)CNC(=O)Cc1[nH]c[nH+]c1C ZINC000637859138 351716292 /nfs/dbraw/zinc/71/62/92/351716292.db2.gz SXHYOXAOTFKJSL-UHFFFAOYSA-N 2 2 238.335 0.894 20 0 BCADLP CCC([NH3+])(CC)CNC(=O)Cc1[nH+]c[nH]c1C ZINC000637859138 351716296 /nfs/dbraw/zinc/71/62/96/351716296.db2.gz SXHYOXAOTFKJSL-UHFFFAOYSA-N 2 2 238.335 0.894 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000637859001 351720461 /nfs/dbraw/zinc/72/04/61/351720461.db2.gz GOLCHONYHRGWQB-MNOVXSKESA-N 2 2 248.330 0.614 20 0 BCADLP C[C@@H](CNC(=O)C1=CC[C@H]([NH3+])C1)Cn1cc[nH+]c1 ZINC000638075725 351947724 /nfs/dbraw/zinc/94/77/24/351947724.db2.gz HCXUINIJOKTLJL-JQWIXIFHSA-N 2 2 248.330 0.683 20 0 BCADLP CC[NH2+][C@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000638071921 351943897 /nfs/dbraw/zinc/94/38/97/351943897.db2.gz CDWDOQHKSMRNFV-NXEZZACHSA-N 2 2 224.308 0.386 20 0 BCADLP C[C@H](C[NH3+])CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638145383 352007986 /nfs/dbraw/zinc/00/79/86/352007986.db2.gz QSOCEGUJQMPVHM-IWSPIJDZSA-N 2 2 222.292 0.224 20 0 BCADLP C[C@H](C[NH3+])CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638145383 352007990 /nfs/dbraw/zinc/00/79/90/352007990.db2.gz QSOCEGUJQMPVHM-IWSPIJDZSA-N 2 2 222.292 0.224 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000638151950 352013016 /nfs/dbraw/zinc/01/30/16/352013016.db2.gz BPWNMULCDRXUGM-SECBINFHSA-N 2 2 222.292 0.114 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000638151950 352013018 /nfs/dbraw/zinc/01/30/18/352013018.db2.gz BPWNMULCDRXUGM-SECBINFHSA-N 2 2 222.292 0.114 20 0 BCADLP CC(C)CC[C@@H]([NH3+])C(=O)NCc1[nH]cc[nH+]1 ZINC000638115340 351991352 /nfs/dbraw/zinc/99/13/52/351991352.db2.gz QKXDRHDGNYCVEW-SECBINFHSA-N 2 2 224.308 0.789 20 0 BCADLP CCc1c[nH]c(CC(=O)N[C@H](C)CC[NH3+])[nH+]1 ZINC000638155891 352019165 /nfs/dbraw/zinc/01/91/65/352019165.db2.gz LFFARMDCZOHSCE-MRVPVSSYSA-N 2 2 224.308 0.368 20 0 BCADLP c1[nH]c(C[NH2+][C@@H]2COC[C@@H]2C2CC2)c[nH+]1 ZINC000725270219 538101918 /nfs/dbraw/zinc/10/19/18/538101918.db2.gz YWLADRJBCFNIEM-GHMZBOCLSA-N 2 2 207.277 0.924 20 0 BCADLP CC(C)C[C@H](C(=O)NC[C@@H](C)[NH3+])n1cc[nH+]c1 ZINC000638211910 352074191 /nfs/dbraw/zinc/07/41/91/352074191.db2.gz VCPRBNDQZTUGOT-GHMZBOCLSA-N 2 2 238.335 0.934 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ncnn2C)C1 ZINC000083970074 352118828 /nfs/dbraw/zinc/11/88/28/352118828.db2.gz RCXLZYDNUFDCBQ-VHSXEESVSA-N 2 2 223.324 0.374 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ncnn2C)C1 ZINC000083970074 352118830 /nfs/dbraw/zinc/11/88/30/352118830.db2.gz RCXLZYDNUFDCBQ-VHSXEESVSA-N 2 2 223.324 0.374 20 0 BCADLP CCc1c[nH]c(CC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)[nH+]1 ZINC000638333113 352151528 /nfs/dbraw/zinc/15/15/28/352151528.db2.gz RSERBAMJBZYAIG-PSASIEDQSA-N 2 2 236.319 0.320 20 0 BCADLP CC[N@@H+]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000288512841 352153726 /nfs/dbraw/zinc/15/37/26/352153726.db2.gz QWPGNVSFBTYVHE-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP CC[N@H+]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000288512841 352153728 /nfs/dbraw/zinc/15/37/28/352153728.db2.gz QWPGNVSFBTYVHE-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP CCc1c[nH]c(CC(=O)N[C@H](C)C[C@@H](C)[NH3+])[nH+]1 ZINC000638370447 352181808 /nfs/dbraw/zinc/18/18/08/352181808.db2.gz YBHORJMGDURPOC-RKDXNWHRSA-N 2 2 238.335 0.757 20 0 BCADLP CCn1cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cn1 ZINC000414931986 352338446 /nfs/dbraw/zinc/33/84/46/352338446.db2.gz QNWWUMGKESMPCL-PWSUYJOCSA-N 2 2 222.336 0.991 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000638596521 352426841 /nfs/dbraw/zinc/42/68/41/352426841.db2.gz LFTCYEHBZDCJCJ-CHWSQXEVSA-N 2 2 241.379 0.391 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000638596521 352426842 /nfs/dbraw/zinc/42/68/42/352426842.db2.gz LFTCYEHBZDCJCJ-CHWSQXEVSA-N 2 2 241.379 0.391 20 0 BCADLP CCN(CC)C(=O)C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000043493560 352637629 /nfs/dbraw/zinc/63/76/29/352637629.db2.gz APKUUWSNZCBXJI-LBPRGKRZSA-N 2 2 241.379 0.786 20 0 BCADLP CCN(CC)C(=O)C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000043493560 352637631 /nfs/dbraw/zinc/63/76/31/352637631.db2.gz APKUUWSNZCBXJI-LBPRGKRZSA-N 2 2 241.379 0.786 20 0 BCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CC[NH2+][C@H]2C)[nH+]1 ZINC000638766314 352702724 /nfs/dbraw/zinc/70/27/24/352702724.db2.gz QWVFILYIEHLRSY-WCBMZHEXSA-N 2 2 236.319 0.381 20 0 BCADLP CC[C@H](C(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC000334177010 352762787 /nfs/dbraw/zinc/76/27/87/352762787.db2.gz AJNDMSUBVYZFRB-SNVBAGLBSA-N 2 2 213.325 0.101 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCCC12CC2 ZINC000638834132 353008264 /nfs/dbraw/zinc/00/82/64/353008264.db2.gz LZSNTZLILDHWDL-QWRGUYRKSA-N 2 2 239.363 0.714 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335399131 188000673 /nfs/dbraw/zinc/00/06/73/188000673.db2.gz LQSIQHNSTJGSAA-MWLCHTKSSA-N 2 2 211.309 0.986 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335399131 188000674 /nfs/dbraw/zinc/00/06/74/188000674.db2.gz LQSIQHNSTJGSAA-MWLCHTKSSA-N 2 2 211.309 0.986 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000638938384 353117974 /nfs/dbraw/zinc/11/79/74/353117974.db2.gz XMGIDXCRFIFXPA-GXSJLCMTSA-N 2 2 244.298 0.896 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000638938386 353118328 /nfs/dbraw/zinc/11/83/28/353118328.db2.gz XMGIDXCRFIFXPA-KOLCDFICSA-N 2 2 244.298 0.896 20 0 BCADLP CC(C)[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000336409294 188056404 /nfs/dbraw/zinc/05/64/04/188056404.db2.gz HFCQECJWMYXFQX-NEPJUHHUSA-N 2 2 239.363 0.442 20 0 BCADLP CC(C)[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000336409294 188056406 /nfs/dbraw/zinc/05/64/06/188056406.db2.gz HFCQECJWMYXFQX-NEPJUHHUSA-N 2 2 239.363 0.442 20 0 BCADLP CC(C)N1CC[C@@H]([N@@H+]2CCC[NH2+]CC2)C1=O ZINC000336626427 188058691 /nfs/dbraw/zinc/05/86/91/188058691.db2.gz VGKQOUMFZNTBOC-LLVKDONJSA-N 2 2 225.336 0.291 20 0 BCADLP CC(C)N1CC[C@@H]([N@H+]2CCC[NH2+]CC2)C1=O ZINC000336626427 188058693 /nfs/dbraw/zinc/05/86/93/188058693.db2.gz VGKQOUMFZNTBOC-LLVKDONJSA-N 2 2 225.336 0.291 20 0 BCADLP CC(C)N(C)C(=O)[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342120940 188044477 /nfs/dbraw/zinc/04/44/77/188044477.db2.gz AKSXUANIEODCSY-SNVBAGLBSA-N 2 2 227.352 0.713 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@]12C[C@@H]1CCCC2 ZINC000638972945 353178149 /nfs/dbraw/zinc/17/81/49/353178149.db2.gz JBRGZBNJEKFTQM-GVXVVHGQSA-N 2 2 239.363 0.714 20 0 BCADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000134559966 538113506 /nfs/dbraw/zinc/11/35/06/538113506.db2.gz RKFZLSWRRGRAPW-SCZZXKLOSA-N 2 2 226.324 0.291 20 0 BCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000122116583 324029742 /nfs/dbraw/zinc/02/97/42/324029742.db2.gz YSCZKPPXZQUTQB-NEPJUHHUSA-N 3 2 213.369 0.868 20 0 BCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000122116583 324029744 /nfs/dbraw/zinc/02/97/44/324029744.db2.gz YSCZKPPXZQUTQB-NEPJUHHUSA-N 3 2 213.369 0.868 20 0 BCADLP C=Cn1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cn1 ZINC000194394760 188258697 /nfs/dbraw/zinc/25/86/97/188258697.db2.gz IWWQNXVGABWVCL-LBPRGKRZSA-N 2 2 238.335 0.386 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000251844996 353292471 /nfs/dbraw/zinc/29/24/71/353292471.db2.gz MALOXJWRGHYYPB-DCAQKATOSA-N 2 2 227.352 0.570 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000251844996 353292475 /nfs/dbraw/zinc/29/24/75/353292475.db2.gz MALOXJWRGHYYPB-DCAQKATOSA-N 2 2 227.352 0.570 20 0 BCADLP Cc1n[nH]cc1C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000335609137 188256240 /nfs/dbraw/zinc/25/62/40/188256240.db2.gz ZGFLRAYIIHNVAH-GZMMTYOYSA-N 2 2 208.309 0.758 20 0 BCADLP Cc1n[nH]cc1C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000335609137 188256242 /nfs/dbraw/zinc/25/62/42/188256242.db2.gz ZGFLRAYIIHNVAH-GZMMTYOYSA-N 2 2 208.309 0.758 20 0 BCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cncn1C ZINC000252889225 353312811 /nfs/dbraw/zinc/31/28/11/353312811.db2.gz CSKIKPXECBSZIG-ZYHUDNBSSA-N 2 2 222.336 0.850 20 0 BCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cncn1C ZINC000252889225 353312814 /nfs/dbraw/zinc/31/28/14/353312814.db2.gz CSKIKPXECBSZIG-ZYHUDNBSSA-N 2 2 222.336 0.850 20 0 BCADLP CC(C)[C@H]1C(=O)NCC[N@H+]1CCn1cc[nH+]c1 ZINC000161597611 188334796 /nfs/dbraw/zinc/33/47/96/188334796.db2.gz CDVHEVSXAJLKDY-NSHDSACASA-N 2 2 236.319 0.340 20 0 BCADLP CC(C)[C@H]1C(=O)NCC[N@@H+]1CCn1cc[nH+]c1 ZINC000161597611 188334798 /nfs/dbraw/zinc/33/47/98/188334798.db2.gz CDVHEVSXAJLKDY-NSHDSACASA-N 2 2 236.319 0.340 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]C[C@@](C)(OC)C1CC1 ZINC000639053199 353353812 /nfs/dbraw/zinc/35/38/12/353353812.db2.gz HDMDNIUVENBXDK-CYBMUJFWSA-N 2 2 244.379 0.705 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]C[C@@](C)(OC)C1CC1 ZINC000639053199 353353814 /nfs/dbraw/zinc/35/38/14/353353814.db2.gz HDMDNIUVENBXDK-CYBMUJFWSA-N 2 2 244.379 0.705 20 0 BCADLP C[C@H]1C[N@H+](C)CCN1CCC[NH+]1CCOCC1 ZINC000336698501 188359801 /nfs/dbraw/zinc/35/98/01/188359801.db2.gz KNRAHZHNDLYLSY-ZDUSSCGKSA-N 2 2 241.379 0.345 20 0 BCADLP C[C@H]1C[N@@H+](C)CCN1CCC[NH+]1CCOCC1 ZINC000336698501 188359802 /nfs/dbraw/zinc/35/98/02/188359802.db2.gz KNRAHZHNDLYLSY-ZDUSSCGKSA-N 2 2 241.379 0.345 20 0 BCADLP CC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000336779576 188361015 /nfs/dbraw/zinc/36/10/15/188361015.db2.gz OTHQWGIYCNVBKH-ADEWGFFLSA-N 2 2 225.336 0.147 20 0 BCADLP CC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000336779576 188361016 /nfs/dbraw/zinc/36/10/16/188361016.db2.gz OTHQWGIYCNVBKH-ADEWGFFLSA-N 2 2 225.336 0.147 20 0 BCADLP CC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(F)F ZINC000639078228 353404240 /nfs/dbraw/zinc/40/42/40/353404240.db2.gz YAIODXSEAATKKY-JGVFFNPUSA-N 2 2 237.294 0.425 20 0 BCADLP CO[C@H]1CC[N@H+](CCOC(C)C)[C@@H](C[NH3+])C1 ZINC000165666316 353434012 /nfs/dbraw/zinc/43/40/12/353434012.db2.gz QWSPJWGWQKCPKT-NEPJUHHUSA-N 2 2 230.352 0.850 20 0 BCADLP CO[C@H]1CC[N@@H+](CCOC(C)C)[C@@H](C[NH3+])C1 ZINC000165666316 353434013 /nfs/dbraw/zinc/43/40/13/353434013.db2.gz QWSPJWGWQKCPKT-NEPJUHHUSA-N 2 2 230.352 0.850 20 0 BCADLP COCC[N@H+](C)CCC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000343301768 353467236 /nfs/dbraw/zinc/46/72/36/353467236.db2.gz JFKLYYRADOPARY-QWHCGFSZSA-N 2 2 243.395 0.494 20 0 BCADLP COCC[N@@H+](C)CCC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000343301768 353467238 /nfs/dbraw/zinc/46/72/38/353467238.db2.gz JFKLYYRADOPARY-QWHCGFSZSA-N 2 2 243.395 0.494 20 0 BCADLP O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2CCCn1cc[nH+]c1 ZINC000343314011 353636743 /nfs/dbraw/zinc/63/67/43/353636743.db2.gz LRSQWDGLLFNCCY-NEPJUHHUSA-N 2 2 248.330 0.626 20 0 BCADLP O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2CCCn1cc[nH+]c1 ZINC000343314011 353636746 /nfs/dbraw/zinc/63/67/46/353636746.db2.gz LRSQWDGLLFNCCY-NEPJUHHUSA-N 2 2 248.330 0.626 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccoc1 ZINC000577946925 366126360 /nfs/dbraw/zinc/12/63/60/366126360.db2.gz IPVXNSHMXCVSEM-ZYHUDNBSSA-N 2 2 223.320 0.834 20 0 BCADLP CC(C)COC[C@H](O)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000343710225 353968639 /nfs/dbraw/zinc/96/86/39/353968639.db2.gz JJKMHWQIMHBEFK-XQQFMLRXSA-N 2 2 244.379 0.560 20 0 BCADLP CC(C)COC[C@H](O)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000343710225 353968642 /nfs/dbraw/zinc/96/86/42/353968642.db2.gz JJKMHWQIMHBEFK-XQQFMLRXSA-N 2 2 244.379 0.560 20 0 BCADLP CC(C)COC[C@H](O)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000343710231 353969052 /nfs/dbraw/zinc/96/90/52/353969052.db2.gz JJKMHWQIMHBEFK-YNEHKIRRSA-N 2 2 244.379 0.560 20 0 BCADLP CC(C)COC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000343710231 353969057 /nfs/dbraw/zinc/96/90/57/353969057.db2.gz JJKMHWQIMHBEFK-YNEHKIRRSA-N 2 2 244.379 0.560 20 0 BCADLP OC[C@@H]1CSCC[N@@H+]1CCn1cc[nH+]c1 ZINC000343715938 353957293 /nfs/dbraw/zinc/95/72/93/353957293.db2.gz QZHVZMYRFQSBRC-SNVBAGLBSA-N 2 2 227.333 0.293 20 0 BCADLP OC[C@@H]1CSCC[N@H+]1CCn1cc[nH+]c1 ZINC000343715938 353957294 /nfs/dbraw/zinc/95/72/94/353957294.db2.gz QZHVZMYRFQSBRC-SNVBAGLBSA-N 2 2 227.333 0.293 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCSC[C@@H]1CO ZINC000343719500 353958079 /nfs/dbraw/zinc/95/80/79/353958079.db2.gz DPQYSBUFHVUDOK-NSHDSACASA-N 2 2 241.360 0.601 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCSC[C@@H]1CO ZINC000343719500 353958082 /nfs/dbraw/zinc/95/80/82/353958082.db2.gz DPQYSBUFHVUDOK-NSHDSACASA-N 2 2 241.360 0.601 20 0 BCADLP O=C(NCC[NH2+]C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623176145 354005191 /nfs/dbraw/zinc/00/51/91/354005191.db2.gz IAZYDRTZTALSJV-SNVBAGLBSA-N 2 2 248.330 0.314 20 0 BCADLP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[NH2+]C1 ZINC000623176226 354009528 /nfs/dbraw/zinc/00/95/28/354009528.db2.gz PJRHEMZENAGVQC-GHMZBOCLSA-N 2 2 248.330 0.266 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCc1cnn(C)c1 ZINC000343951756 354070075 /nfs/dbraw/zinc/07/00/75/354070075.db2.gz NTTDMQLPBXFXHI-WCQYABFASA-N 2 2 236.363 0.892 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCc1cnn(C)c1 ZINC000343951756 354070080 /nfs/dbraw/zinc/07/00/80/354070080.db2.gz NTTDMQLPBXFXHI-WCQYABFASA-N 2 2 236.363 0.892 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCc1cnn(C)c1 ZINC000343951757 354070378 /nfs/dbraw/zinc/07/03/78/354070378.db2.gz NTTDMQLPBXFXHI-YPMHNXCESA-N 2 2 236.363 0.892 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCc1cnn(C)c1 ZINC000343951757 354070382 /nfs/dbraw/zinc/07/03/82/354070382.db2.gz NTTDMQLPBXFXHI-YPMHNXCESA-N 2 2 236.363 0.892 20 0 BCADLP [NH3+][C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000623177404 354071632 /nfs/dbraw/zinc/07/16/32/354071632.db2.gz WMCRGOHIPSAVFX-WDEREUQCSA-N 2 2 248.330 0.299 20 0 BCADLP [NH3+][C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000623177402 354071798 /nfs/dbraw/zinc/07/17/98/354071798.db2.gz WMCRGOHIPSAVFX-MNOVXSKESA-N 2 2 248.330 0.299 20 0 BCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@@H](C)C[NH+](C)C ZINC000639168510 354075390 /nfs/dbraw/zinc/07/53/90/354075390.db2.gz SGZVTXJEHFRLSR-GRYCIOLGSA-N 2 2 241.379 0.973 20 0 BCADLP CO[C@@]1(C[N@@H+]2CC[NH+]3CCC2CC3)CCOC1 ZINC000639171700 354124988 /nfs/dbraw/zinc/12/49/88/354124988.db2.gz FCQRIVKSSIIEGQ-CYBMUJFWSA-N 2 2 240.347 0.572 20 0 BCADLP CO[C@@]1(C[N@H+]2CC[NH+]3CCC2CC3)CCOC1 ZINC000639171700 354124992 /nfs/dbraw/zinc/12/49/92/354124992.db2.gz FCQRIVKSSIIEGQ-CYBMUJFWSA-N 2 2 240.347 0.572 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000230896179 363327352 /nfs/dbraw/zinc/32/73/52/363327352.db2.gz APAXVODDYGLFHC-UHFFFAOYSA-N 2 2 213.325 0.149 20 0 BCADLP C[NH2+]CCC[N@H+]1CCN(C)C(=O)C1(C)C ZINC000230896179 363327353 /nfs/dbraw/zinc/32/73/53/363327353.db2.gz APAXVODDYGLFHC-UHFFFAOYSA-N 2 2 213.325 0.149 20 0 BCADLP CCNC(=O)C[N@H+](CC)CCC[NH2+]C ZINC000230895578 363327811 /nfs/dbraw/zinc/32/78/11/363327811.db2.gz HHCCMEYZHOUMMH-UHFFFAOYSA-N 2 2 201.314 0.054 20 0 BCADLP CCNC(=O)C[N@@H+](CC)CCC[NH2+]C ZINC000230895578 363327817 /nfs/dbraw/zinc/32/78/17/363327817.db2.gz HHCCMEYZHOUMMH-UHFFFAOYSA-N 2 2 201.314 0.054 20 0 BCADLP CCO[C@@H]1COC[C@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000449728404 202009870 /nfs/dbraw/zinc/00/98/70/202009870.db2.gz VEGXXQHEMLOLGM-CHWSQXEVSA-N 2 2 242.363 0.864 20 0 BCADLP CCN(CC[NH3+])C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623180366 354242092 /nfs/dbraw/zinc/24/20/92/354242092.db2.gz ASHYVGNCBYCJCE-JTQLQIEISA-N 2 2 236.319 0.253 20 0 BCADLP COCCN1CC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000344486953 354286315 /nfs/dbraw/zinc/28/63/15/354286315.db2.gz SEDUWZMEENUELM-RWMBFGLXSA-N 2 2 241.379 0.247 20 0 BCADLP COCCN1CC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000344486953 354286318 /nfs/dbraw/zinc/28/63/18/354286318.db2.gz SEDUWZMEENUELM-RWMBFGLXSA-N 2 2 241.379 0.247 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cnnn2C)[C@H](C)C1 ZINC000344542811 354312514 /nfs/dbraw/zinc/31/25/14/354312514.db2.gz FBQIHZZEXDXSBH-ZYHUDNBSSA-N 2 2 237.351 0.635 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cnnn2C)[C@H](C)C1 ZINC000344542811 354312515 /nfs/dbraw/zinc/31/25/15/354312515.db2.gz FBQIHZZEXDXSBH-ZYHUDNBSSA-N 2 2 237.351 0.635 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000334743446 354546559 /nfs/dbraw/zinc/54/65/59/354546559.db2.gz XNQUVHXUEOTBRZ-LLVKDONJSA-N 2 2 225.336 0.289 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000334743446 354546561 /nfs/dbraw/zinc/54/65/61/354546561.db2.gz XNQUVHXUEOTBRZ-LLVKDONJSA-N 2 2 225.336 0.289 20 0 BCADLP C[C@H](CC(=O)N[C@@H]1CCC[NH2+]C1)n1cc[nH+]c1 ZINC000578079052 366228702 /nfs/dbraw/zinc/22/87/02/366228702.db2.gz SBORXZSJXDMFTC-GHMZBOCLSA-N 2 2 236.319 0.702 20 0 BCADLP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC[NH3+])C1 ZINC000345542010 354677021 /nfs/dbraw/zinc/67/70/21/354677021.db2.gz RZKNGRGWSVRIKE-NWDGAFQWSA-N 2 2 241.379 0.962 20 0 BCADLP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000345542010 354677024 /nfs/dbraw/zinc/67/70/24/354677024.db2.gz RZKNGRGWSVRIKE-NWDGAFQWSA-N 2 2 241.379 0.962 20 0 BCADLP Cc1ccc(CCC[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c[nH+]1 ZINC000345999670 354836334 /nfs/dbraw/zinc/83/63/34/354836334.db2.gz WQNUBHKZXZWDRG-KBPBESRZSA-N 3 2 249.358 0.493 20 0 BCADLP C[C@H](C[NH+](C)C)[NH2+]C1CCC(O)CC1 ZINC000235436493 363444132 /nfs/dbraw/zinc/44/41/32/363444132.db2.gz JNCCNNPNAVYUQU-KPPDAEKUSA-N 2 2 200.326 0.830 20 0 BCADLP C[C@@H]1CN(C(=O)C[NH+](C)C)[C@@H](C)C[N@@H+]1C ZINC000335206421 355042125 /nfs/dbraw/zinc/04/21/25/355042125.db2.gz BJIPLUKUQMPXFK-ZJUUUORDSA-N 2 2 213.325 0.099 20 0 BCADLP C[C@@H]1CN(C(=O)C[NH+](C)C)[C@@H](C)C[N@H+]1C ZINC000335206421 355042128 /nfs/dbraw/zinc/04/21/28/355042128.db2.gz BJIPLUKUQMPXFK-ZJUUUORDSA-N 2 2 213.325 0.099 20 0 BCADLP CCC[N@H+](CC(=O)NC)C[C@]1(C)CC[NH2+]C1 ZINC000261964543 535278432 /nfs/dbraw/zinc/27/84/32/535278432.db2.gz HQHANEULKZSJMD-GFCCVEGCSA-N 2 2 227.352 0.444 20 0 BCADLP CCC[N@@H+](CC(=O)NC)C[C@]1(C)CC[NH2+]C1 ZINC000261964543 535278436 /nfs/dbraw/zinc/27/84/36/535278436.db2.gz HQHANEULKZSJMD-GFCCVEGCSA-N 2 2 227.352 0.444 20 0 BCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1CCn1cc[nH+]c1 ZINC000335975396 134030927 /nfs/dbraw/zinc/03/09/27/134030927.db2.gz XILOPNYZIYBOSK-RYUDHWBXSA-N 2 2 222.336 0.908 20 0 BCADLP CCOC(=O)C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000366956057 355105971 /nfs/dbraw/zinc/10/59/71/355105971.db2.gz WSZUWYGAFYMOMZ-VXGBXAGGSA-N 2 2 240.347 0.966 20 0 BCADLP CCOC(=O)C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000366956057 355105974 /nfs/dbraw/zinc/10/59/74/355105974.db2.gz WSZUWYGAFYMOMZ-VXGBXAGGSA-N 2 2 240.347 0.966 20 0 BCADLP CCOC(=O)C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000366956057 355105977 /nfs/dbraw/zinc/10/59/77/355105977.db2.gz WSZUWYGAFYMOMZ-VXGBXAGGSA-N 2 2 240.347 0.966 20 0 BCADLP CCOC(=O)C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000366956057 355105980 /nfs/dbraw/zinc/10/59/80/355105980.db2.gz WSZUWYGAFYMOMZ-VXGBXAGGSA-N 2 2 240.347 0.966 20 0 BCADLP CC(C)([NH3+])CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000346825133 355126946 /nfs/dbraw/zinc/12/69/46/355126946.db2.gz PMFDVGKHRBZGKR-LBPRGKRZSA-N 2 2 241.379 0.520 20 0 BCADLP Cc1[nH]ncc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346832643 355129481 /nfs/dbraw/zinc/12/94/81/355129481.db2.gz RHZFAQMLXIOKQL-WCQGTBRESA-N 2 2 220.320 0.887 20 0 BCADLP Cc1[nH]ncc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346832643 355129484 /nfs/dbraw/zinc/12/94/84/355129484.db2.gz RHZFAQMLXIOKQL-WCQGTBRESA-N 2 2 220.320 0.887 20 0 BCADLP CC(=O)N(C)C1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000346834625 355130903 /nfs/dbraw/zinc/13/09/03/355130903.db2.gz SPZRWLWWBBALTO-UHFFFAOYSA-N 2 2 227.352 0.666 20 0 BCADLP CC(C)([NH3+])CN1CC[NH+](Cc2cccnc2)CC1 ZINC000346975615 355210711 /nfs/dbraw/zinc/21/07/11/355210711.db2.gz JIYDSKGVDMCSBO-UHFFFAOYSA-N 2 2 248.374 0.937 20 0 BCADLP CCOCCO[C@@H]1CC[N@H+](CC(C)(C)[NH3+])C1 ZINC000346965301 355172060 /nfs/dbraw/zinc/17/20/60/355172060.db2.gz HXOJTSOVORTLTQ-LLVKDONJSA-N 2 2 230.352 0.851 20 0 BCADLP CCOCCO[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000346965301 355172063 /nfs/dbraw/zinc/17/20/63/355172063.db2.gz HXOJTSOVORTLTQ-LLVKDONJSA-N 2 2 230.352 0.851 20 0 BCADLP CO[C@@H]1CC[C@H]2OCC[N@H+](CC(C)(C)[NH3+])[C@H]2C1 ZINC000346966002 355173140 /nfs/dbraw/zinc/17/31/40/355173140.db2.gz CJYJMPOGHZFFLK-GRYCIOLGSA-N 2 2 242.363 0.992 20 0 BCADLP CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(C)(C)[NH3+])[C@H]2C1 ZINC000346966002 355173143 /nfs/dbraw/zinc/17/31/43/355173143.db2.gz CJYJMPOGHZFFLK-GRYCIOLGSA-N 2 2 242.363 0.992 20 0 BCADLP CC(C)([NH3+])CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000346982313 355184479 /nfs/dbraw/zinc/18/44/79/355184479.db2.gz NGLQQZYVSBHFOY-UHFFFAOYSA-N 2 2 237.351 0.265 20 0 BCADLP CCC[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346998145 355195594 /nfs/dbraw/zinc/19/55/94/355195594.db2.gz FHQNPDRQMGQUBN-NEPJUHHUSA-N 2 2 239.363 0.587 20 0 BCADLP CCC[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346998145 355195599 /nfs/dbraw/zinc/19/55/99/355195599.db2.gz FHQNPDRQMGQUBN-NEPJUHHUSA-N 2 2 239.363 0.587 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000347001827 355199641 /nfs/dbraw/zinc/19/96/41/355199641.db2.gz IGVJSSSSUVZSGE-GFCCVEGCSA-N 2 2 241.379 0.378 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000347001827 355199642 /nfs/dbraw/zinc/19/96/42/355199642.db2.gz IGVJSSSSUVZSGE-GFCCVEGCSA-N 2 2 241.379 0.378 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC000113514256 355250950 /nfs/dbraw/zinc/25/09/50/355250950.db2.gz NKURNFNFTJKGRO-GFCCVEGCSA-N 2 2 239.363 0.396 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000113514256 355250954 /nfs/dbraw/zinc/25/09/54/355250954.db2.gz NKURNFNFTJKGRO-GFCCVEGCSA-N 2 2 239.363 0.396 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515566 355252211 /nfs/dbraw/zinc/25/22/11/355252211.db2.gz HMBSOUZZGBSZID-GFCCVEGCSA-N 2 2 241.379 0.786 20 0 BCADLP CCCCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515566 355252215 /nfs/dbraw/zinc/25/22/15/355252215.db2.gz HMBSOUZZGBSZID-GFCCVEGCSA-N 2 2 241.379 0.786 20 0 BCADLP C[NH+](C)C1CN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413213044 191364289 /nfs/dbraw/zinc/36/42/89/191364289.db2.gz JKORIQCIHGEERC-UHFFFAOYSA-N 2 2 233.319 0.801 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC000113515864 355252890 /nfs/dbraw/zinc/25/28/90/355252890.db2.gz MHHGQEKRHSOPDQ-LLVKDONJSA-N 2 2 241.379 0.785 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC000113515864 355252892 /nfs/dbraw/zinc/25/28/92/355252892.db2.gz MHHGQEKRHSOPDQ-LLVKDONJSA-N 2 2 241.379 0.785 20 0 BCADLP CO[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000639258783 355304352 /nfs/dbraw/zinc/30/43/52/355304352.db2.gz MYTQSUCQZSOGGI-FIQHERPVSA-N 2 2 228.336 0.473 20 0 BCADLP CO[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000639258783 355304353 /nfs/dbraw/zinc/30/43/53/355304353.db2.gz MYTQSUCQZSOGGI-FIQHERPVSA-N 2 2 228.336 0.473 20 0 BCADLP CC[C@@H]([NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000583498228 355331816 /nfs/dbraw/zinc/33/18/16/355331816.db2.gz FMQOTCIDDDGKRY-SNVBAGLBSA-N 2 2 232.287 0.688 20 0 BCADLP CN(C)C(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000336010457 134051038 /nfs/dbraw/zinc/05/10/38/134051038.db2.gz YXXGDCVELUIHHH-LLVKDONJSA-N 2 2 227.352 0.491 20 0 BCADLP CO[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+]1C)[C@@H]1CCOC1 ZINC000639353904 355801623 /nfs/dbraw/zinc/80/16/23/355801623.db2.gz BFQFNEFJECLFNT-AGIUHOORSA-N 2 2 242.363 0.722 20 0 BCADLP CO[C@@H](C[NH2+]C[C@@H]1CCC[N@H+]1C)[C@@H]1CCOC1 ZINC000639353904 355801627 /nfs/dbraw/zinc/80/16/27/355801627.db2.gz BFQFNEFJECLFNT-AGIUHOORSA-N 2 2 242.363 0.722 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCCNc1cccc[nH+]1 ZINC000584349022 355804560 /nfs/dbraw/zinc/80/45/60/355804560.db2.gz XYCIQIXHBAAKFR-VHSXEESVSA-N 2 2 236.319 0.593 20 0 BCADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)[C@H]1CC1(F)F ZINC000639356594 355810535 /nfs/dbraw/zinc/81/05/35/355810535.db2.gz DUBUUOBSJKBAOU-KXUCPTDWSA-N 2 2 234.290 0.686 20 0 BCADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)[C@H]1CC1(F)F ZINC000639356594 355810536 /nfs/dbraw/zinc/81/05/36/355810536.db2.gz DUBUUOBSJKBAOU-KXUCPTDWSA-N 2 2 234.290 0.686 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1[C@H](C)C[C@@H]1C ZINC000583638622 355940587 /nfs/dbraw/zinc/94/05/87/355940587.db2.gz CUKGADQBTGTACD-OUAUKWLOSA-N 2 2 200.326 0.782 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1[C@H](C)C[C@@H]1C ZINC000583638622 355940589 /nfs/dbraw/zinc/94/05/89/355940589.db2.gz CUKGADQBTGTACD-OUAUKWLOSA-N 2 2 200.326 0.782 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1[C@H](C)C[C@@H]1C ZINC000583638622 355940591 /nfs/dbraw/zinc/94/05/91/355940591.db2.gz CUKGADQBTGTACD-OUAUKWLOSA-N 2 2 200.326 0.782 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000583638622 355940593 /nfs/dbraw/zinc/94/05/93/355940593.db2.gz CUKGADQBTGTACD-OUAUKWLOSA-N 2 2 200.326 0.782 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]C2(C)COC2)n1C ZINC000639380235 355916166 /nfs/dbraw/zinc/91/61/66/355916166.db2.gz CJFNELQZXAGKDB-UHFFFAOYSA-N 2 2 224.308 0.365 20 0 BCADLP CCC[N@H+](CC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000583639369 355941008 /nfs/dbraw/zinc/94/10/08/355941008.db2.gz FJCPSKRLMAJOOK-UHFFFAOYSA-N 2 2 241.379 0.881 20 0 BCADLP CCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000583639369 355941013 /nfs/dbraw/zinc/94/10/13/355941013.db2.gz FJCPSKRLMAJOOK-UHFFFAOYSA-N 2 2 241.379 0.881 20 0 BCADLP C[C@@H](CO)[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000166905598 355936977 /nfs/dbraw/zinc/93/69/77/355936977.db2.gz WYOPRKQOPJZRJT-VHSXEESVSA-N 2 2 240.351 0.593 20 0 BCADLP Cn1ncnc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000389326570 355966407 /nfs/dbraw/zinc/96/64/07/355966407.db2.gz LIGJDLOKZUYDJH-VIFPVBQESA-N 2 2 223.324 0.293 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]CC[N@H+](C)C(C)C ZINC000167194561 355968466 /nfs/dbraw/zinc/96/84/66/355968466.db2.gz XLZLHSVQSXFSSJ-SNVBAGLBSA-N 2 2 215.341 0.441 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]CC[N@@H+](C)C(C)C ZINC000167194561 355968471 /nfs/dbraw/zinc/96/84/71/355968471.db2.gz XLZLHSVQSXFSSJ-SNVBAGLBSA-N 2 2 215.341 0.441 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000167451785 356016605 /nfs/dbraw/zinc/01/66/05/356016605.db2.gz YNPYUWPZBAZBBJ-BDAKNGLRSA-N 2 2 222.292 0.414 20 0 BCADLP CC[C@@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)[NH+](C)C ZINC000623263975 356227665 /nfs/dbraw/zinc/22/76/65/356227665.db2.gz BZFOHNXEVBZKHX-KOLCDFICSA-N 2 2 236.319 0.264 20 0 BCADLP CC[C@@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)[NH+](C)C ZINC000623263977 356227742 /nfs/dbraw/zinc/22/77/42/356227742.db2.gz BZFOHNXEVBZKHX-ONGXEEELSA-N 2 2 236.319 0.264 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000336119387 134089289 /nfs/dbraw/zinc/08/92/89/134089289.db2.gz JXZMLHWECQRCKF-VXGBXAGGSA-N 2 2 241.379 0.879 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000336119387 134089290 /nfs/dbraw/zinc/08/92/90/134089290.db2.gz JXZMLHWECQRCKF-VXGBXAGGSA-N 2 2 241.379 0.879 20 0 BCADLP CC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000639454060 356238055 /nfs/dbraw/zinc/23/80/55/356238055.db2.gz VFXHJWWPTUIIFE-UHFFFAOYSA-N 2 2 240.347 0.620 20 0 BCADLP C[C@@H]1C[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765262 356329381 /nfs/dbraw/zinc/32/93/81/356329381.db2.gz YSFIXPLIXQOLTM-VXGBXAGGSA-N 2 2 241.379 0.642 20 0 BCADLP C[C@@H]1C[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765262 356329385 /nfs/dbraw/zinc/32/93/85/356329385.db2.gz YSFIXPLIXQOLTM-VXGBXAGGSA-N 2 2 241.379 0.642 20 0 BCADLP CC(C)OC(=O)CC[N@@H+]1CC[C@H]([NH3+])C1 ZINC000420298147 192205615 /nfs/dbraw/zinc/20/56/15/192205615.db2.gz RTUYVJPEIAHIPT-VIFPVBQESA-N 2 2 200.282 0.361 20 0 BCADLP CC(C)OC(=O)CC[N@H+]1CC[C@H]([NH3+])C1 ZINC000420298147 192205616 /nfs/dbraw/zinc/20/56/16/192205616.db2.gz RTUYVJPEIAHIPT-VIFPVBQESA-N 2 2 200.282 0.361 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)Cc1cc[nH]n1 ZINC000639487570 356304103 /nfs/dbraw/zinc/30/41/03/356304103.db2.gz ORBLKALISDXTBH-UHFFFAOYSA-N 2 2 219.292 0.818 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1cc[nH]n1 ZINC000639487570 356304108 /nfs/dbraw/zinc/30/41/08/356304108.db2.gz ORBLKALISDXTBH-UHFFFAOYSA-N 2 2 219.292 0.818 20 0 BCADLP CC(C)OC(=O)CC[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000420276497 192198599 /nfs/dbraw/zinc/19/85/99/192198599.db2.gz RTUYVJPEIAHIPT-SECBINFHSA-N 2 2 200.282 0.361 20 0 BCADLP CC(C)OC(=O)CC[N@H+]1CC[C@@H]([NH3+])C1 ZINC000420276497 192198602 /nfs/dbraw/zinc/19/86/02/192198602.db2.gz RTUYVJPEIAHIPT-SECBINFHSA-N 2 2 200.282 0.361 20 0 BCADLP C[C@@H](CCNC(=O)CCc1[nH]cc[nH+]1)[NH+](C)C ZINC000617757828 356318531 /nfs/dbraw/zinc/31/85/31/356318531.db2.gz BNYHWXKSJWMSGA-JTQLQIEISA-N 2 2 238.335 0.799 20 0 BCADLP CC(C)OC(=O)CC[N@H+](C)[C@H](C)C[NH3+] ZINC000420294489 192202791 /nfs/dbraw/zinc/20/27/91/192202791.db2.gz SZTNDCPDQUYOIW-SECBINFHSA-N 2 2 202.298 0.607 20 0 BCADLP CC(C)OC(=O)CC[N@@H+](C)[C@H](C)C[NH3+] ZINC000420294489 192202794 /nfs/dbraw/zinc/20/27/94/192202794.db2.gz SZTNDCPDQUYOIW-SECBINFHSA-N 2 2 202.298 0.607 20 0 BCADLP O=C(CCn1cc[nH+]c1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623267187 356319027 /nfs/dbraw/zinc/31/90/27/356319027.db2.gz MGYHEHPIACZARN-JTQLQIEISA-N 2 2 245.286 0.211 20 0 BCADLP CC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000639494513 356319500 /nfs/dbraw/zinc/31/95/00/356319500.db2.gz IPKHUDDWIYVCRQ-GFCCVEGCSA-N 2 2 210.321 0.993 20 0 BCADLP CC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000639494513 356319502 /nfs/dbraw/zinc/31/95/02/356319502.db2.gz IPKHUDDWIYVCRQ-GFCCVEGCSA-N 2 2 210.321 0.993 20 0 BCADLP CC(C)OC(=O)CC[N@H+](C)[C@@H](C)C[NH3+] ZINC000420294490 192203308 /nfs/dbraw/zinc/20/33/08/192203308.db2.gz SZTNDCPDQUYOIW-VIFPVBQESA-N 2 2 202.298 0.607 20 0 BCADLP CC(C)OC(=O)CC[N@@H+](C)[C@@H](C)C[NH3+] ZINC000420294490 192203309 /nfs/dbraw/zinc/20/33/09/192203309.db2.gz SZTNDCPDQUYOIW-VIFPVBQESA-N 2 2 202.298 0.607 20 0 BCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1CC1 ZINC000617768427 356330561 /nfs/dbraw/zinc/33/05/61/356330561.db2.gz CNQWEMKVTFVYLQ-UHFFFAOYSA-N 2 2 227.352 0.396 20 0 BCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1CC1 ZINC000617768427 356330564 /nfs/dbraw/zinc/33/05/64/356330564.db2.gz CNQWEMKVTFVYLQ-UHFFFAOYSA-N 2 2 227.352 0.396 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@](C)(O)C1 ZINC000639511341 356346493 /nfs/dbraw/zinc/34/64/93/356346493.db2.gz PDTNNBAOJGYNMI-LLVKDONJSA-N 2 2 209.293 0.419 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@](C)(O)C1 ZINC000639511341 356346496 /nfs/dbraw/zinc/34/64/96/356346496.db2.gz PDTNNBAOJGYNMI-LLVKDONJSA-N 2 2 209.293 0.419 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)C[C@@H](O)C1CC1 ZINC000639514250 356347452 /nfs/dbraw/zinc/34/74/52/356347452.db2.gz KEEAWEKXDOLTLZ-GFCCVEGCSA-N 2 2 223.320 0.665 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)C[C@@H](O)C1CC1 ZINC000639514250 356347453 /nfs/dbraw/zinc/34/74/53/356347453.db2.gz KEEAWEKXDOLTLZ-GFCCVEGCSA-N 2 2 223.320 0.665 20 0 BCADLP CCNC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420356683 192218671 /nfs/dbraw/zinc/21/86/71/192218671.db2.gz CXHQBTDBODCSIT-LLVKDONJSA-N 2 2 227.352 0.620 20 0 BCADLP CC(C)CNC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420371469 192228022 /nfs/dbraw/zinc/22/80/22/192228022.db2.gz PMVQQKWMTYGFHB-GMXVVIOVSA-N 2 2 241.379 0.735 20 0 BCADLP C[C@@H]1C[N@H+](CCN(C)C2CC([NH3+])C2)CCO1 ZINC000420328985 192228967 /nfs/dbraw/zinc/22/89/67/192228967.db2.gz IPLZWINDGFPPIY-VOMCLLRMSA-N 2 2 227.352 0.129 20 0 BCADLP C[C@@H]1C[N@@H+](CCN(C)C2CC([NH3+])C2)CCO1 ZINC000420328985 192228969 /nfs/dbraw/zinc/22/89/69/192228969.db2.gz IPLZWINDGFPPIY-VOMCLLRMSA-N 2 2 227.352 0.129 20 0 BCADLP CCC[C@@H]1C(=O)NCC[N@H+]1CCC[NH2+]C ZINC000420358979 192222664 /nfs/dbraw/zinc/22/26/64/192222664.db2.gz JYSKDKWZHWKQPK-SNVBAGLBSA-N 2 2 213.325 0.196 20 0 BCADLP CCC[C@@H]1C(=O)NCC[N@@H+]1CCC[NH2+]C ZINC000420358979 192222666 /nfs/dbraw/zinc/22/26/66/192222666.db2.gz JYSKDKWZHWKQPK-SNVBAGLBSA-N 2 2 213.325 0.196 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC000420367663 192225025 /nfs/dbraw/zinc/22/50/25/192225025.db2.gz NAOKCCTVRYKJFK-DBIOUOCHSA-N 2 2 225.336 0.193 20 0 BCADLP C[C@@H](c1nnnn1C)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420403851 192238688 /nfs/dbraw/zinc/23/86/88/192238688.db2.gz LIECITQDIWJFIS-UTLUCORTSA-N 2 2 238.339 0.188 20 0 BCADLP C[C@@H](c1nnnn1C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420403851 192238690 /nfs/dbraw/zinc/23/86/90/192238690.db2.gz LIECITQDIWJFIS-UTLUCORTSA-N 2 2 238.339 0.188 20 0 BCADLP COC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420409960 192239023 /nfs/dbraw/zinc/23/90/23/192239023.db2.gz XSINMRUSWRGOQH-QWRGUYRKSA-N 2 2 226.320 0.623 20 0 BCADLP COC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420409960 192239026 /nfs/dbraw/zinc/23/90/26/192239026.db2.gz XSINMRUSWRGOQH-QWRGUYRKSA-N 2 2 226.320 0.623 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000420375137 192232473 /nfs/dbraw/zinc/23/24/73/192232473.db2.gz SQMSBZPGIOZZKZ-CKYFFXLPSA-N 2 2 241.379 0.877 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC000420377345 192233348 /nfs/dbraw/zinc/23/33/48/192233348.db2.gz WEMOKWNLKXJKNF-WZRBSPASSA-N 2 2 239.363 0.585 20 0 BCADLP C[C@@H]1CC(=O)NCC[N@@H+]1CCc1c[nH+]cn1C ZINC000639552060 356439743 /nfs/dbraw/zinc/43/97/43/356439743.db2.gz XJIWPBDROYYGKH-SNVBAGLBSA-N 2 2 236.319 0.173 20 0 BCADLP NC(=O)[C@H](c1ccccc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359295784 181277804 /nfs/dbraw/zinc/27/78/04/181277804.db2.gz XPGBVHWKUYJIRE-XQQFMLRXSA-N 2 2 245.326 0.364 20 0 BCADLP NC(=O)[C@H](c1ccccc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359295784 181277807 /nfs/dbraw/zinc/27/78/07/181277807.db2.gz XPGBVHWKUYJIRE-XQQFMLRXSA-N 2 2 245.326 0.364 20 0 BCADLP C[C@H](O)[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639574923 356497319 /nfs/dbraw/zinc/49/73/19/356497319.db2.gz XHZMDXKFZKXWSE-WDEREUQCSA-N 2 2 223.320 0.665 20 0 BCADLP C[C@H](O)[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639574923 356497322 /nfs/dbraw/zinc/49/73/22/356497322.db2.gz XHZMDXKFZKXWSE-WDEREUQCSA-N 2 2 223.320 0.665 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000336170977 134115057 /nfs/dbraw/zinc/11/50/57/134115057.db2.gz SDOPUCBWVMKMDQ-GHMZBOCLSA-N 2 2 208.309 0.867 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000336170977 134115058 /nfs/dbraw/zinc/11/50/58/134115058.db2.gz SDOPUCBWVMKMDQ-GHMZBOCLSA-N 2 2 208.309 0.867 20 0 BCADLP C[C@H]1C[N@H+](CCc2c[nH+]cn2C)CC[C@@H]1O ZINC000639600404 356520261 /nfs/dbraw/zinc/52/02/61/356520261.db2.gz YFNRFQMUVZQGBT-JQWIXIFHSA-N 2 2 223.320 0.665 20 0 BCADLP C[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CC[C@@H]1O ZINC000639600404 356520263 /nfs/dbraw/zinc/52/02/63/356520263.db2.gz YFNRFQMUVZQGBT-JQWIXIFHSA-N 2 2 223.320 0.665 20 0 BCADLP Cn1c[nH+]cc1Cc1noc([C@@H]2CC[N@H+](C)C2)n1 ZINC000350207815 366262800 /nfs/dbraw/zinc/26/28/00/366262800.db2.gz ZOIFLEWLDURLAL-SECBINFHSA-N 2 2 247.302 0.813 20 0 BCADLP Cn1c[nH+]cc1Cc1noc([C@@H]2CC[N@@H+](C)C2)n1 ZINC000350207815 366262808 /nfs/dbraw/zinc/26/28/08/366262808.db2.gz ZOIFLEWLDURLAL-SECBINFHSA-N 2 2 247.302 0.813 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](CCO)C1CCC1 ZINC000639604476 356525725 /nfs/dbraw/zinc/52/57/25/356525725.db2.gz PRKVBMTYKBMAQJ-UHFFFAOYSA-N 2 2 223.320 0.809 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](CCO)C1CCC1 ZINC000639604476 356525727 /nfs/dbraw/zinc/52/57/27/356525727.db2.gz PRKVBMTYKBMAQJ-UHFFFAOYSA-N 2 2 223.320 0.809 20 0 BCADLP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](NC(C)=O)C1 ZINC000420958586 192280942 /nfs/dbraw/zinc/28/09/42/192280942.db2.gz PJYRCEQLUNJUIR-CYBMUJFWSA-N 2 2 241.379 0.929 20 0 BCADLP CC[NH+](CC)CCC[N@H+]1CC[C@@H](NC(C)=O)C1 ZINC000420958586 192280944 /nfs/dbraw/zinc/28/09/44/192280944.db2.gz PJYRCEQLUNJUIR-CYBMUJFWSA-N 2 2 241.379 0.929 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000639622267 356542142 /nfs/dbraw/zinc/54/21/42/356542142.db2.gz ZFDRHLRQHNFEQW-LBPRGKRZSA-N 2 2 236.319 0.160 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000639622267 356542146 /nfs/dbraw/zinc/54/21/46/356542146.db2.gz ZFDRHLRQHNFEQW-LBPRGKRZSA-N 2 2 236.319 0.160 20 0 BCADLP c1nc2n(n1)[C@@H](C[N@@H+]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000639645586 356559142 /nfs/dbraw/zinc/55/91/42/356559142.db2.gz JJPOKOXWTSUEHF-SECBINFHSA-N 2 2 244.302 0.547 20 0 BCADLP c1nc2n(n1)[C@@H](C[N@H+]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000639645586 356559148 /nfs/dbraw/zinc/55/91/48/356559148.db2.gz JJPOKOXWTSUEHF-SECBINFHSA-N 2 2 244.302 0.547 20 0 BCADLP CC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000639655093 356560063 /nfs/dbraw/zinc/56/00/63/356560063.db2.gz IPXFVEFHSPJYKY-LBPRGKRZSA-N 2 2 210.321 0.993 20 0 BCADLP CC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000639655093 356560068 /nfs/dbraw/zinc/56/00/68/356560068.db2.gz IPXFVEFHSPJYKY-LBPRGKRZSA-N 2 2 210.321 0.993 20 0 BCADLP CC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000639655093 356560072 /nfs/dbraw/zinc/56/00/72/356560072.db2.gz IPXFVEFHSPJYKY-LBPRGKRZSA-N 2 2 210.321 0.993 20 0 BCADLP CC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000639655093 356560075 /nfs/dbraw/zinc/56/00/75/356560075.db2.gz IPXFVEFHSPJYKY-LBPRGKRZSA-N 2 2 210.321 0.993 20 0 BCADLP c1[nH+]cn2c1C[N@H+](CCc1cnccn1)CC2 ZINC000639650458 356561601 /nfs/dbraw/zinc/56/16/01/356561601.db2.gz ZADXJUBAOCMRKO-UHFFFAOYSA-N 2 2 229.287 0.731 20 0 BCADLP c1[nH+]cn2c1C[N@@H+](CCc1cnccn1)CC2 ZINC000639650458 356561604 /nfs/dbraw/zinc/56/16/04/356561604.db2.gz ZADXJUBAOCMRKO-UHFFFAOYSA-N 2 2 229.287 0.731 20 0 BCADLP COc1ccc[nH+]c1N1CCO[C@@H](C[NH3+])C1 ZINC000160177695 356561739 /nfs/dbraw/zinc/56/17/39/356561739.db2.gz RHBUGIHYDCNOLD-VIFPVBQESA-N 2 2 223.276 0.254 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000639653475 356565215 /nfs/dbraw/zinc/56/52/15/356565215.db2.gz BOPIFYWUWCUJKK-CQSZACIVSA-N 3 2 248.374 0.990 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000639653475 356565216 /nfs/dbraw/zinc/56/52/16/356565216.db2.gz BOPIFYWUWCUJKK-CQSZACIVSA-N 3 2 248.374 0.990 20 0 BCADLP Cn1c[nH+]cc1CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000639653475 356565217 /nfs/dbraw/zinc/56/52/17/356565217.db2.gz BOPIFYWUWCUJKK-CQSZACIVSA-N 3 2 248.374 0.990 20 0 BCADLP Cn1c[nH+]cc1CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000639653475 356565218 /nfs/dbraw/zinc/56/52/18/356565218.db2.gz BOPIFYWUWCUJKK-CQSZACIVSA-N 3 2 248.374 0.990 20 0 BCADLP C[C@H]1C[C@@H](CO)C[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639673520 356590856 /nfs/dbraw/zinc/59/08/56/356590856.db2.gz FCZVTTLWSDYTHU-NWDGAFQWSA-N 2 2 237.347 0.913 20 0 BCADLP C[C@H]1C[C@@H](CO)C[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639673520 356590859 /nfs/dbraw/zinc/59/08/59/356590859.db2.gz FCZVTTLWSDYTHU-NWDGAFQWSA-N 2 2 237.347 0.913 20 0 BCADLP Cn1c[nH+]cc1CCN1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000639666007 356580427 /nfs/dbraw/zinc/58/04/27/356580427.db2.gz NVUCOUJHVCZPDO-YPMHNXCESA-N 2 2 234.347 0.599 20 0 BCADLP Cn1c[nH+]cc1CCN1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000639666007 356580428 /nfs/dbraw/zinc/58/04/28/356580428.db2.gz NVUCOUJHVCZPDO-YPMHNXCESA-N 2 2 234.347 0.599 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC000130091384 325012372 /nfs/dbraw/zinc/01/23/72/325012372.db2.gz CLMOQOKUPDTURS-DCAQKATOSA-N 2 2 227.352 0.535 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC000130091384 325012375 /nfs/dbraw/zinc/01/23/75/325012375.db2.gz CLMOQOKUPDTURS-DCAQKATOSA-N 2 2 227.352 0.535 20 0 BCADLP COC[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)OC ZINC000423051120 192553659 /nfs/dbraw/zinc/55/36/59/192553659.db2.gz 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CC[C@H]([NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1)C(=O)NC ZINC000423159623 192598039 /nfs/dbraw/zinc/59/80/39/192598039.db2.gz GANAITWQAJVPKB-DCAQKATOSA-N 2 2 227.352 0.631 20 0 BCADLP CO[C@H]1C[N@H+](CCn2cc[nH+]c2)CCO1 ZINC000639833806 356820471 /nfs/dbraw/zinc/82/04/71/356820471.db2.gz LXGRBMOIPLAPFQ-SNVBAGLBSA-N 2 2 211.265 0.188 20 0 BCADLP CO[C@H]1C[N@@H+](CCn2cc[nH+]c2)CCO1 ZINC000639833806 356820475 /nfs/dbraw/zinc/82/04/75/356820475.db2.gz LXGRBMOIPLAPFQ-SNVBAGLBSA-N 2 2 211.265 0.188 20 0 BCADLP CO[C@H]1C[N@H+](CCc2c[nH+]cn2C)CCO1 ZINC000639840085 356831777 /nfs/dbraw/zinc/83/17/77/356831777.db2.gz VNTHHNICVLJSBO-LLVKDONJSA-N 2 2 225.292 0.267 20 0 BCADLP CO[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CCO1 ZINC000639840085 356831780 /nfs/dbraw/zinc/83/17/80/356831780.db2.gz VNTHHNICVLJSBO-LLVKDONJSA-N 2 2 225.292 0.267 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](CO)C(C)C)C1 ZINC000379981168 356975484 /nfs/dbraw/zinc/97/54/84/356975484.db2.gz HKUZTDARPHTVNB-GRYCIOLGSA-N 2 2 214.353 0.933 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](CO)C(C)C)C1 ZINC000379981168 356975488 /nfs/dbraw/zinc/97/54/88/356975488.db2.gz HKUZTDARPHTVNB-GRYCIOLGSA-N 2 2 214.353 0.933 20 0 BCADLP CC(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000639868519 357007890 /nfs/dbraw/zinc/00/78/90/357007890.db2.gz VEXOSSYHPRBORL-GFCCVEGCSA-N 2 2 228.336 0.618 20 0 BCADLP CC(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000639868519 357007893 /nfs/dbraw/zinc/00/78/93/357007893.db2.gz VEXOSSYHPRBORL-GFCCVEGCSA-N 2 2 228.336 0.618 20 0 BCADLP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000390680903 357114247 /nfs/dbraw/zinc/11/42/47/357114247.db2.gz ZQXGWOPTTRKGRK-IJLUTSLNSA-N 3 2 211.353 0.655 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000390680903 357114250 /nfs/dbraw/zinc/11/42/50/357114250.db2.gz ZQXGWOPTTRKGRK-IJLUTSLNSA-N 3 2 211.353 0.655 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C1 ZINC000390496148 357097050 /nfs/dbraw/zinc/09/70/50/357097050.db2.gz RIJLFCHZWPUZHQ-NEPJUHHUSA-N 2 2 230.352 0.267 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C1 ZINC000390496148 357097053 /nfs/dbraw/zinc/09/70/53/357097053.db2.gz RIJLFCHZWPUZHQ-NEPJUHHUSA-N 2 2 230.352 0.267 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)C1 ZINC000390496148 357097058 /nfs/dbraw/zinc/09/70/58/357097058.db2.gz RIJLFCHZWPUZHQ-NEPJUHHUSA-N 2 2 230.352 0.267 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)C1 ZINC000390496148 357097061 /nfs/dbraw/zinc/09/70/61/357097061.db2.gz RIJLFCHZWPUZHQ-NEPJUHHUSA-N 2 2 230.352 0.267 20 0 BCADLP CCc1nnc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)[nH]1 ZINC000392482706 357153346 /nfs/dbraw/zinc/15/33/46/357153346.db2.gz ZHIOWMFGBWUZRK-IUCAKERBSA-N 2 2 223.324 0.727 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C)(C)C1 ZINC000393876236 357304387 /nfs/dbraw/zinc/30/43/87/357304387.db2.gz GBJQSMUEKPNBAJ-LBPRGKRZSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(C)C1 ZINC000393876236 357304389 /nfs/dbraw/zinc/30/43/89/357304389.db2.gz GBJQSMUEKPNBAJ-LBPRGKRZSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC(C)(C)C1 ZINC000393876236 357304391 /nfs/dbraw/zinc/30/43/91/357304391.db2.gz GBJQSMUEKPNBAJ-LBPRGKRZSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC(C)(C)C1 ZINC000393876236 357304393 /nfs/dbraw/zinc/30/43/93/357304393.db2.gz GBJQSMUEKPNBAJ-LBPRGKRZSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC1(C)C ZINC000393882840 357305108 /nfs/dbraw/zinc/30/51/08/357305108.db2.gz NLVHKNFYJTZDPS-LBPRGKRZSA-N 2 2 244.379 0.800 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC1(C)C ZINC000393882840 357305110 /nfs/dbraw/zinc/30/51/10/357305110.db2.gz NLVHKNFYJTZDPS-LBPRGKRZSA-N 2 2 244.379 0.800 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC1(C)C ZINC000393882840 357305113 /nfs/dbraw/zinc/30/51/13/357305113.db2.gz NLVHKNFYJTZDPS-LBPRGKRZSA-N 2 2 244.379 0.800 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC1(C)C ZINC000393882840 357305116 /nfs/dbraw/zinc/30/51/16/357305116.db2.gz NLVHKNFYJTZDPS-LBPRGKRZSA-N 2 2 244.379 0.800 20 0 BCADLP C[NH2+]Cc1noc([C@@H](C[NH3+])c2ccccc2)n1 ZINC000582725375 357372303 /nfs/dbraw/zinc/37/23/03/357372303.db2.gz UJUBLFQDUUSZJR-JTQLQIEISA-N 2 2 232.287 0.880 20 0 BCADLP Cc1[nH]c(CNC[C@@]2(O)CC[N@@H+](C)C2)[nH+]c1C ZINC000582617877 357354300 /nfs/dbraw/zinc/35/43/00/357354300.db2.gz RGBCMGQNDSGDEW-LBPRGKRZSA-N 2 2 238.335 0.183 20 0 BCADLP Cc1[nH]c(CNC[C@@]2(O)CC[N@H+](C)C2)[nH+]c1C ZINC000582617877 357354304 /nfs/dbraw/zinc/35/43/04/357354304.db2.gz RGBCMGQNDSGDEW-LBPRGKRZSA-N 2 2 238.335 0.183 20 0 BCADLP Cc1n[nH]cc1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000582780437 357390709 /nfs/dbraw/zinc/39/07/09/357390709.db2.gz PKQAUIMRSMWOPO-GFCCVEGCSA-N 2 2 238.335 0.263 20 0 BCADLP Cc1n[nH]cc1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000582780437 357390713 /nfs/dbraw/zinc/39/07/13/357390713.db2.gz PKQAUIMRSMWOPO-GFCCVEGCSA-N 2 2 238.335 0.263 20 0 BCADLP C[C@H]([NH3+])C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000582786959 357394353 /nfs/dbraw/zinc/39/43/53/357394353.db2.gz RDKLWANZZSFXCD-CYZMBNFOSA-N 3 2 241.379 0.552 20 0 BCADLP C[C@H]([NH3+])C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000582786960 357394367 /nfs/dbraw/zinc/39/43/67/357394367.db2.gz RDKLWANZZSFXCD-DRZSPHRISA-N 3 2 241.379 0.552 20 0 BCADLP CCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050249394 357404110 /nfs/dbraw/zinc/40/41/10/357404110.db2.gz QIIFXJWLDHAGJC-RKDXNWHRSA-N 2 2 200.282 0.219 20 0 BCADLP CCOC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050249394 357404114 /nfs/dbraw/zinc/40/41/14/357404114.db2.gz QIIFXJWLDHAGJC-RKDXNWHRSA-N 2 2 200.282 0.219 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623408518 357405738 /nfs/dbraw/zinc/40/57/38/357405738.db2.gz YVTXJHWIHXAAGY-VXGBXAGGSA-N 3 2 243.395 0.371 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623408518 357405739 /nfs/dbraw/zinc/40/57/39/357405739.db2.gz YVTXJHWIHXAAGY-VXGBXAGGSA-N 3 2 243.395 0.371 20 0 BCADLP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)n[nH]1 ZINC000392383413 357501112 /nfs/dbraw/zinc/50/11/12/357501112.db2.gz HCUPISVDBBGHCA-MWLCHTKSSA-N 2 2 237.351 0.585 20 0 BCADLP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)n[nH]1 ZINC000392383413 357501116 /nfs/dbraw/zinc/50/11/16/357501116.db2.gz HCUPISVDBBGHCA-MWLCHTKSSA-N 2 2 237.351 0.585 20 0 BCADLP Cc1nnc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)[nH]1 ZINC000392383413 357501119 /nfs/dbraw/zinc/50/11/19/357501119.db2.gz HCUPISVDBBGHCA-MWLCHTKSSA-N 2 2 237.351 0.585 20 0 BCADLP Cc1nnc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)[nH]1 ZINC000392383413 357501124 /nfs/dbraw/zinc/50/11/24/357501124.db2.gz HCUPISVDBBGHCA-MWLCHTKSSA-N 2 2 237.351 0.585 20 0 BCADLP C[C@H](CC(=O)N(C)[C@@H]1CC[NH2+]C1)n1cc[nH+]c1 ZINC000583211133 357542530 /nfs/dbraw/zinc/54/25/30/357542530.db2.gz ORYCQQFSAZICNS-GHMZBOCLSA-N 2 2 236.319 0.655 20 0 BCADLP CCN(C)C(=O)[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000231841908 357627183 /nfs/dbraw/zinc/62/71/83/357627183.db2.gz XVJSNCILIYSJMA-NSHDSACASA-N 2 2 241.379 0.927 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CC(C)(C)[NH3+] ZINC000082771933 491112492 /nfs/dbraw/zinc/11/24/92/491112492.db2.gz NIQBUWQMDQJTFZ-VIFPVBQESA-N 2 2 224.308 0.515 20 0 BCADLP CNC(=O)[C@H](C)C[N@H+](C)CC[NH2+]C(C)(C)C ZINC000230978527 357585739 /nfs/dbraw/zinc/58/57/39/357585739.db2.gz ZMQZUFLIGAVNIE-SNVBAGLBSA-N 2 2 229.368 0.688 20 0 BCADLP CNC(=O)[C@H](C)C[N@@H+](C)CC[NH2+]C(C)(C)C ZINC000230978527 357585746 /nfs/dbraw/zinc/58/57/46/357585746.db2.gz ZMQZUFLIGAVNIE-SNVBAGLBSA-N 2 2 229.368 0.688 20 0 BCADLP CCCCNC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231670284 357618914 /nfs/dbraw/zinc/61/89/14/357618914.db2.gz ZLYRMFRFRIXEOG-GFCCVEGCSA-N 2 2 241.379 0.977 20 0 BCADLP CCCCNC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231670284 357618919 /nfs/dbraw/zinc/61/89/19/357618919.db2.gz ZLYRMFRFRIXEOG-GFCCVEGCSA-N 2 2 241.379 0.977 20 0 BCADLP C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@@H]1CO ZINC000189735781 357665334 /nfs/dbraw/zinc/66/53/34/357665334.db2.gz JLCJANSTBOREBO-VXGBXAGGSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@@H]1CO ZINC000189735781 357665335 /nfs/dbraw/zinc/66/53/35/357665335.db2.gz JLCJANSTBOREBO-VXGBXAGGSA-N 2 2 223.320 0.976 20 0 BCADLP C[NH2+]C[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000583270589 357776610 /nfs/dbraw/zinc/77/66/10/357776610.db2.gz ZSNGGFSHFGYJLB-QWRGUYRKSA-N 2 2 238.335 0.806 20 0 BCADLP CC[N@H+](CCC[NH+]1CCCCC1)CC(N)=O ZINC000191737578 357792850 /nfs/dbraw/zinc/79/28/50/357792850.db2.gz RWHGMUIGPKWNGS-UHFFFAOYSA-N 2 2 227.352 0.670 20 0 BCADLP CC[N@@H+](CCC[NH+]1CCCCC1)CC(N)=O ZINC000191737578 357792855 /nfs/dbraw/zinc/79/28/55/357792855.db2.gz RWHGMUIGPKWNGS-UHFFFAOYSA-N 2 2 227.352 0.670 20 0 BCADLP CO[C@@H]1C[N@H+](C[C@H]([NH3+])CC(C)C)C[C@@H]1OC ZINC000234808844 357831904 /nfs/dbraw/zinc/83/19/04/357831904.db2.gz UUNVNUQIUBYUKI-UTUOFQBUSA-N 2 2 230.352 0.705 20 0 BCADLP CO[C@@H]1C[N@@H+](C[C@H]([NH3+])CC(C)C)C[C@@H]1OC ZINC000234808844 357831907 /nfs/dbraw/zinc/83/19/07/357831907.db2.gz UUNVNUQIUBYUKI-UTUOFQBUSA-N 2 2 230.352 0.705 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC000085170803 134224793 /nfs/dbraw/zinc/22/47/93/134224793.db2.gz RRTZRXRHEWWKDB-SNVBAGLBSA-N 2 2 208.309 0.461 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC000085170803 134224794 /nfs/dbraw/zinc/22/47/94/134224794.db2.gz RRTZRXRHEWWKDB-SNVBAGLBSA-N 2 2 208.309 0.461 20 0 BCADLP C[NH2+]C[C@H]1CCN(Cc2c[nH+]cn2C)C1 ZINC000085170803 134224795 /nfs/dbraw/zinc/22/47/95/134224795.db2.gz RRTZRXRHEWWKDB-SNVBAGLBSA-N 2 2 208.309 0.461 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399062311 357895289 /nfs/dbraw/zinc/89/52/89/357895289.db2.gz ZFSKFTLMGLCFGR-JTQLQIEISA-N 2 2 222.292 0.164 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)C[C@H]1CO ZINC000639937715 357939340 /nfs/dbraw/zinc/93/93/40/357939340.db2.gz CURSPVFXFYGRBY-FRRDWIJNSA-N 2 2 244.379 0.392 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)C[C@H]1CO ZINC000639937715 357939344 /nfs/dbraw/zinc/93/93/44/357939344.db2.gz CURSPVFXFYGRBY-FRRDWIJNSA-N 2 2 244.379 0.392 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1CO ZINC000639937715 357939348 /nfs/dbraw/zinc/93/93/48/357939348.db2.gz CURSPVFXFYGRBY-FRRDWIJNSA-N 2 2 244.379 0.392 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1CO ZINC000639937715 357939352 /nfs/dbraw/zinc/93/93/52/357939352.db2.gz CURSPVFXFYGRBY-FRRDWIJNSA-N 2 2 244.379 0.392 20 0 BCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000583810914 357955269 /nfs/dbraw/zinc/95/52/69/357955269.db2.gz PVMPLCOMERZTBY-UWVGGRQHSA-N 2 2 239.323 0.308 20 0 BCADLP CO[C@@H]1C[N@H+](CCn2cc[nH+]c2)[C@](C)(CO)C1 ZINC000639997787 358034575 /nfs/dbraw/zinc/03/45/75/358034575.db2.gz BUUREVUSDVOJEF-RYUDHWBXSA-N 2 2 239.319 0.355 20 0 BCADLP CO[C@@H]1C[N@@H+](CCn2cc[nH+]c2)[C@](C)(CO)C1 ZINC000639997787 358034579 /nfs/dbraw/zinc/03/45/79/358034579.db2.gz BUUREVUSDVOJEF-RYUDHWBXSA-N 2 2 239.319 0.355 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn[nH]c2)CC[N@@H+]1C ZINC000090720560 363595574 /nfs/dbraw/zinc/59/55/74/363595574.db2.gz IBECXNCORDBSED-KOLCDFICSA-N 2 2 208.309 0.982 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn[nH]c2)CC[N@H+]1C ZINC000090720560 363595582 /nfs/dbraw/zinc/59/55/82/363595582.db2.gz IBECXNCORDBSED-KOLCDFICSA-N 2 2 208.309 0.982 20 0 BCADLP CC[C@@H]([NH3+])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000036871277 358055587 /nfs/dbraw/zinc/05/55/87/358055587.db2.gz WBJITCKYFJWZIG-LLVKDONJSA-N 2 2 248.330 0.468 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[NH2+]C1CC1 ZINC000037477028 358071316 /nfs/dbraw/zinc/07/13/16/358071316.db2.gz HSMANSJNZIYYAV-VIFPVBQESA-N 2 2 222.292 0.140 20 0 BCADLP CC[C@@H]([NH3+])C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000036999448 358064459 /nfs/dbraw/zinc/06/44/59/358064459.db2.gz CEUWCCDKYXCEHR-DTWKUNHWSA-N 2 2 210.281 0.125 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CC[NH2+]C1CC1 ZINC000037612436 358084146 /nfs/dbraw/zinc/08/41/46/358084146.db2.gz NQMYFSMWIDISMK-JTQLQIEISA-N 2 2 236.319 0.530 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000172198461 134262833 /nfs/dbraw/zinc/26/28/33/134262833.db2.gz IYGDGIQNVZSCDA-VXGBXAGGSA-N 2 2 241.379 0.785 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000172198461 134262834 /nfs/dbraw/zinc/26/28/34/134262834.db2.gz IYGDGIQNVZSCDA-VXGBXAGGSA-N 2 2 241.379 0.785 20 0 BCADLP C[N@@H+]1CCN(C(=O)CC2CCC2)[C@H](C[NH3+])C1 ZINC000226292970 358336218 /nfs/dbraw/zinc/33/62/18/358336218.db2.gz MBKYYPVRHRPNBE-LLVKDONJSA-N 2 2 225.336 0.278 20 0 BCADLP C[N@H+]1CCN(C(=O)CC2CCC2)[C@H](C[NH3+])C1 ZINC000226292970 358336220 /nfs/dbraw/zinc/33/62/20/358336220.db2.gz MBKYYPVRHRPNBE-LLVKDONJSA-N 2 2 225.336 0.278 20 0 BCADLP C[N@@H+]1CCN(Cc2cscn2)[C@@H](C[NH3+])C1 ZINC000226620514 358341889 /nfs/dbraw/zinc/34/18/89/358341889.db2.gz CNXBLTMCGVQSFM-JTQLQIEISA-N 2 2 226.349 0.218 20 0 BCADLP C[N@H+]1CCN(Cc2cscn2)[C@@H](C[NH3+])C1 ZINC000226620514 358341891 /nfs/dbraw/zinc/34/18/91/358341891.db2.gz CNXBLTMCGVQSFM-JTQLQIEISA-N 2 2 226.349 0.218 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@H]2CCCCO2)CCO1 ZINC000252685210 366417936 /nfs/dbraw/zinc/41/79/36/366417936.db2.gz HRHHYBPHDQBXCL-TUAOUCFPSA-N 2 2 228.336 0.604 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@H]2CCCCO2)CCO1 ZINC000252685210 366417939 /nfs/dbraw/zinc/41/79/39/366417939.db2.gz HRHHYBPHDQBXCL-TUAOUCFPSA-N 2 2 228.336 0.604 20 0 BCADLP C[C@@H]1[NH2+]CCN(CC[NH+]2CCOCC2)[C@H]1C ZINC000379501766 358515640 /nfs/dbraw/zinc/51/56/40/358515640.db2.gz WRMRVYRLCFRKGU-RYUDHWBXSA-N 2 2 227.352 0.001 20 0 BCADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cnnn1C ZINC000129752174 358595979 /nfs/dbraw/zinc/59/59/79/358595979.db2.gz KMXCVRSLSFBBRE-ONGXEEELSA-N 2 2 223.324 0.245 20 0 BCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cnnn1C ZINC000129752174 358595982 /nfs/dbraw/zinc/59/59/82/358595982.db2.gz KMXCVRSLSFBBRE-ONGXEEELSA-N 2 2 223.324 0.245 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2)C[N@@H+]1C1CC1 ZINC000131244826 358666744 /nfs/dbraw/zinc/66/67/44/358666744.db2.gz POORYMCQSFNQCL-GMTAPVOTSA-N 2 2 237.347 0.480 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2)C[N@H+]1C1CC1 ZINC000131244826 358666745 /nfs/dbraw/zinc/66/67/45/358666745.db2.gz POORYMCQSFNQCL-GMTAPVOTSA-N 2 2 237.347 0.480 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261541194 535434258 /nfs/dbraw/zinc/43/42/58/535434258.db2.gz AURZMPPQZNXNQY-ZDUSSCGKSA-N 2 2 239.363 0.540 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261541194 535434261 /nfs/dbraw/zinc/43/42/61/535434261.db2.gz AURZMPPQZNXNQY-ZDUSSCGKSA-N 2 2 239.363 0.540 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000132187869 358709726 /nfs/dbraw/zinc/70/97/26/358709726.db2.gz WUISKVJWYRLGLC-GARJFASQSA-N 2 2 227.352 0.441 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000132187869 358709727 /nfs/dbraw/zinc/70/97/27/358709727.db2.gz WUISKVJWYRLGLC-GARJFASQSA-N 2 2 227.352 0.441 20 0 BCADLP CCOC(=O)[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000050064412 358711863 /nfs/dbraw/zinc/71/18/63/358711863.db2.gz XMANJLMCBDWZPQ-NSHDSACASA-N 2 2 237.303 0.911 20 0 BCADLP CCOC(=O)[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000050064412 358711866 /nfs/dbraw/zinc/71/18/66/358711866.db2.gz XMANJLMCBDWZPQ-NSHDSACASA-N 2 2 237.303 0.911 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261541193 535435135 /nfs/dbraw/zinc/43/51/35/535435135.db2.gz AURZMPPQZNXNQY-CYBMUJFWSA-N 2 2 239.363 0.540 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261541193 535435142 /nfs/dbraw/zinc/43/51/42/535435142.db2.gz AURZMPPQZNXNQY-CYBMUJFWSA-N 2 2 239.363 0.540 20 0 BCADLP C[NH+](C)C1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000613675948 363618433 /nfs/dbraw/zinc/61/84/33/363618433.db2.gz TYXSWFLEMTYLFU-SNVBAGLBSA-N 2 2 248.330 0.408 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000053443748 358830031 /nfs/dbraw/zinc/83/00/31/358830031.db2.gz JPDLXMHWWNAWQF-NWDGAFQWSA-N 2 2 230.352 0.722 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000053443748 358830037 /nfs/dbraw/zinc/83/00/37/358830037.db2.gz JPDLXMHWWNAWQF-NWDGAFQWSA-N 2 2 230.352 0.722 20 0 BCADLP CCC[NH+]1CCC([NH2+]Cc2cnnn2C)CC1 ZINC000135848173 358851971 /nfs/dbraw/zinc/85/19/71/358851971.db2.gz BIJRDRONKPWDAQ-UHFFFAOYSA-N 2 2 237.351 0.779 20 0 BCADLP Cn1nncc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000135855437 358852404 /nfs/dbraw/zinc/85/24/04/358852404.db2.gz GGHIHXTVYCXYAQ-GHMZBOCLSA-N 2 2 235.335 0.532 20 0 BCADLP Cn1nncc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000135855437 358852406 /nfs/dbraw/zinc/85/24/06/358852406.db2.gz GGHIHXTVYCXYAQ-GHMZBOCLSA-N 2 2 235.335 0.532 20 0 BCADLP C[C@@H](F)CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000578336122 366526828 /nfs/dbraw/zinc/52/68/28/366526828.db2.gz JPLOROSYQRYQEX-NXEZZACHSA-N 2 2 246.330 0.019 20 0 BCADLP C[C@@H](F)CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000578336122 366526832 /nfs/dbraw/zinc/52/68/32/366526832.db2.gz JPLOROSYQRYQEX-NXEZZACHSA-N 2 2 246.330 0.019 20 0 BCADLP CC(C)[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000197983910 358947789 /nfs/dbraw/zinc/94/77/89/358947789.db2.gz VSVCPWHEEHOMMO-UHFFFAOYSA-N 2 2 239.363 0.633 20 0 BCADLP CC(C)[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000197983910 358947793 /nfs/dbraw/zinc/94/77/93/358947793.db2.gz VSVCPWHEEHOMMO-UHFFFAOYSA-N 2 2 239.363 0.633 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCCOC2)n1C ZINC000070144249 359042796 /nfs/dbraw/zinc/04/27/96/359042796.db2.gz WDVIJOKRFDJVNJ-SNVBAGLBSA-N 2 2 238.335 0.755 20 0 BCADLP C[C@H](CNCc1c[nH+]c(N(C)C)n1C)[NH+](C)C ZINC000070143771 359043056 /nfs/dbraw/zinc/04/30/56/359043056.db2.gz AWKXMEHXFYYIQP-SNVBAGLBSA-N 2 2 239.367 0.526 20 0 BCADLP C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000071207228 359074191 /nfs/dbraw/zinc/07/41/91/359074191.db2.gz VWNVPBNXPORPAU-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP CC[C@@]1(C(=O)NCc2[nH+]ccn2C)CC[NH2+]C1 ZINC000071276089 359075512 /nfs/dbraw/zinc/07/55/12/359075512.db2.gz AVCZWGXMRXCKEE-GFCCVEGCSA-N 2 2 236.319 0.426 20 0 BCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1C(N)=O ZINC000246674800 359155389 /nfs/dbraw/zinc/15/53/89/359155389.db2.gz FTMSRZDDNBGMPE-QWRGUYRKSA-N 2 2 225.336 0.420 20 0 BCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1C(N)=O ZINC000246674800 359155392 /nfs/dbraw/zinc/15/53/92/359155392.db2.gz FTMSRZDDNBGMPE-QWRGUYRKSA-N 2 2 225.336 0.420 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1C(N)=O ZINC000246674800 359155395 /nfs/dbraw/zinc/15/53/95/359155395.db2.gz FTMSRZDDNBGMPE-QWRGUYRKSA-N 2 2 225.336 0.420 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1C(N)=O ZINC000246674800 359155396 /nfs/dbraw/zinc/15/53/96/359155396.db2.gz FTMSRZDDNBGMPE-QWRGUYRKSA-N 2 2 225.336 0.420 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247998254 359251185 /nfs/dbraw/zinc/25/11/85/359251185.db2.gz KCINCTNLYNWAIV-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247998254 359251188 /nfs/dbraw/zinc/25/11/88/359251188.db2.gz KCINCTNLYNWAIV-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP CCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247998254 359251192 /nfs/dbraw/zinc/25/11/92/359251192.db2.gz KCINCTNLYNWAIV-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP CCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247998254 359251197 /nfs/dbraw/zinc/25/11/97/359251197.db2.gz KCINCTNLYNWAIV-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP Cn1ncnc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247997095 359251570 /nfs/dbraw/zinc/25/15/70/359251570.db2.gz JYAGESBBSBCQJV-NWDGAFQWSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncnc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247997095 359251575 /nfs/dbraw/zinc/25/15/75/359251575.db2.gz JYAGESBBSBCQJV-NWDGAFQWSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncnc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247997095 359251578 /nfs/dbraw/zinc/25/15/78/359251578.db2.gz JYAGESBBSBCQJV-NWDGAFQWSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncnc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247997095 359251582 /nfs/dbraw/zinc/25/15/82/359251582.db2.gz JYAGESBBSBCQJV-NWDGAFQWSA-N 2 2 249.362 0.731 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248046745 359253382 /nfs/dbraw/zinc/25/33/82/359253382.db2.gz VHXQEZBMLBCMGJ-VWYCJHECSA-N 2 2 225.336 0.276 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248046745 359253383 /nfs/dbraw/zinc/25/33/83/359253383.db2.gz VHXQEZBMLBCMGJ-VWYCJHECSA-N 2 2 225.336 0.276 20 0 BCADLP C[C@H](C(N)=O)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248046745 359253390 /nfs/dbraw/zinc/25/33/90/359253390.db2.gz VHXQEZBMLBCMGJ-VWYCJHECSA-N 2 2 225.336 0.276 20 0 BCADLP C[C@H](C(N)=O)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248046745 359253397 /nfs/dbraw/zinc/25/33/97/359253397.db2.gz VHXQEZBMLBCMGJ-VWYCJHECSA-N 2 2 225.336 0.276 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247181648 359199567 /nfs/dbraw/zinc/19/95/67/359199567.db2.gz ZADSUASUHUWQQT-RYUDHWBXSA-N 2 2 241.379 0.737 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247181648 359199571 /nfs/dbraw/zinc/19/95/71/359199571.db2.gz ZADSUASUHUWQQT-RYUDHWBXSA-N 2 2 241.379 0.737 20 0 BCADLP C[C@@H](C(=O)N(C)C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247181648 359199575 /nfs/dbraw/zinc/19/95/75/359199575.db2.gz ZADSUASUHUWQQT-RYUDHWBXSA-N 2 2 241.379 0.737 20 0 BCADLP C[C@@H](C(=O)N(C)C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247181648 359199577 /nfs/dbraw/zinc/19/95/77/359199577.db2.gz ZADSUASUHUWQQT-RYUDHWBXSA-N 2 2 241.379 0.737 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423430387 192745441 /nfs/dbraw/zinc/74/54/41/192745441.db2.gz UJWRWNSLCMKCAB-SRVKXCTJSA-N 2 2 241.379 0.866 20 0 BCADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423544874 192810960 /nfs/dbraw/zinc/81/09/60/192810960.db2.gz CNDPEMSJDMQECJ-SDDRHHMPSA-N 2 2 212.337 0.999 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000379592896 359557175 /nfs/dbraw/zinc/55/71/75/359557175.db2.gz ZRXJNVNRCQVMJG-LNFKQOIKSA-N 2 2 200.326 0.950 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000379592896 359557178 /nfs/dbraw/zinc/55/71/78/359557178.db2.gz ZRXJNVNRCQVMJG-LNFKQOIKSA-N 2 2 200.326 0.950 20 0 BCADLP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423577449 192816497 /nfs/dbraw/zinc/81/64/97/192816497.db2.gz SHYZKMCAVUOBIB-JQWIXIFHSA-N 2 2 224.304 0.789 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCOC2)n1C ZINC000580466704 359571143 /nfs/dbraw/zinc/57/11/43/359571143.db2.gz JQAZZPGGPNVJKJ-SNVBAGLBSA-N 2 2 209.293 0.997 20 0 BCADLP CC[C@@](C)(O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000087013316 359893579 /nfs/dbraw/zinc/89/35/79/359893579.db2.gz YQQWUXGBANBDBO-GFCCVEGCSA-N 2 2 240.351 0.737 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+](C)CC(C)(C)CO)C1CC1 ZINC000451253745 202388177 /nfs/dbraw/zinc/38/81/77/202388177.db2.gz NHNWSEJQAFHSPH-LBPRGKRZSA-N 2 2 244.379 0.392 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+](C)CC(C)(C)CO)C1CC1 ZINC000451253745 202388181 /nfs/dbraw/zinc/38/81/81/202388181.db2.gz NHNWSEJQAFHSPH-LBPRGKRZSA-N 2 2 244.379 0.392 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)CC(C)(C)CO ZINC000451253745 202388185 /nfs/dbraw/zinc/38/81/85/202388185.db2.gz NHNWSEJQAFHSPH-LBPRGKRZSA-N 2 2 244.379 0.392 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)CC(C)(C)CO ZINC000451253745 202388190 /nfs/dbraw/zinc/38/81/90/202388190.db2.gz NHNWSEJQAFHSPH-LBPRGKRZSA-N 2 2 244.379 0.392 20 0 BCADLP CC(C)[C@H](NC(=O)[C@H](C)[NH3+])c1[nH]cc[nH+]1 ZINC000578887815 366668693 /nfs/dbraw/zinc/66/86/93/366668693.db2.gz LISHYSVHRLQPMH-YUMQZZPRSA-N 2 2 210.281 0.570 20 0 BCADLP CC[NH+]1CCN([C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000091507516 360118286 /nfs/dbraw/zinc/11/82/86/360118286.db2.gz NGEZLULACSOOTR-ZDUSSCGKSA-N 2 2 241.379 0.345 20 0 BCADLP C[NH+]1CC2(C1)CCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC000614033998 363710907 /nfs/dbraw/zinc/71/09/07/363710907.db2.gz DKVYXPJKKWHHEZ-UHFFFAOYSA-N 2 2 248.330 0.506 20 0 BCADLP CCN(CC[NH3+])C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000626940356 360521757 /nfs/dbraw/zinc/52/17/57/360521757.db2.gz WVWPIPPJXJQNLJ-SNVBAGLBSA-N 2 2 239.323 0.262 20 0 BCADLP C[NH2+]C1CC[NH+](CCN2CCCC2=O)CC1 ZINC000430923447 192895573 /nfs/dbraw/zinc/89/55/73/192895573.db2.gz DVOPIFVRDXINIT-UHFFFAOYSA-N 2 2 225.336 0.293 20 0 BCADLP NC(=O)c1c[nH+]ccc1NCCn1cc[nH+]c1 ZINC000302210857 181309693 /nfs/dbraw/zinc/30/96/93/181309693.db2.gz GQLVCEFGUMEKTI-UHFFFAOYSA-N 2 2 231.259 0.489 20 0 BCADLP CC(C)C[C@H]([NH3+])C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414853968 200770723 /nfs/dbraw/zinc/77/07/23/200770723.db2.gz LQFJPZVNTOOSKZ-RYUDHWBXSA-N 3 2 213.369 0.949 20 0 BCADLP CNC(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629406148 361054039 /nfs/dbraw/zinc/05/40/39/361054039.db2.gz JFSMYCMIXWMBLZ-GXFFZTMASA-N 2 2 247.342 0.886 20 0 BCADLP C[C@H]1CC[C@@H]([NH2+]Cc2cnc3cnccn23)C[NH2+]1 ZINC000629410010 361059295 /nfs/dbraw/zinc/05/92/95/361059295.db2.gz CUONQBSLZKZONG-WDEREUQCSA-N 2 2 245.330 0.959 20 0 BCADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cnc3cnccn23)C[NH2+]1 ZINC000629410006 361059624 /nfs/dbraw/zinc/05/96/24/361059624.db2.gz CUONQBSLZKZONG-GHMZBOCLSA-N 2 2 245.330 0.959 20 0 BCADLP COc1cc[nH+]cc1NC(=O)C[C@@H](C)[NH3+] ZINC000431052493 192903973 /nfs/dbraw/zinc/90/39/73/192903973.db2.gz XQBXSLMTQLTNLD-SSDOTTSWSA-N 2 2 209.249 0.766 20 0 BCADLP Nc1ncccc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000629518399 361117645 /nfs/dbraw/zinc/11/76/45/361117645.db2.gz ISXIRGQGTVSHPX-CYBMUJFWSA-N 2 2 232.331 0.849 20 0 BCADLP Nc1ncccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000629518399 361117647 /nfs/dbraw/zinc/11/76/47/361117647.db2.gz ISXIRGQGTVSHPX-CYBMUJFWSA-N 2 2 232.331 0.849 20 0 BCADLP Nc1ncccc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000629518400 361117813 /nfs/dbraw/zinc/11/78/13/361117813.db2.gz ISXIRGQGTVSHPX-ZDUSSCGKSA-N 2 2 232.331 0.849 20 0 BCADLP Nc1ncccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000629518400 361117815 /nfs/dbraw/zinc/11/78/15/361117815.db2.gz ISXIRGQGTVSHPX-ZDUSSCGKSA-N 2 2 232.331 0.849 20 0 BCADLP COc1cncc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)n1 ZINC000629509710 361103819 /nfs/dbraw/zinc/10/38/19/361103819.db2.gz IODJJCALZXRDIR-GXSJLCMTSA-N 2 2 236.319 0.654 20 0 BCADLP COc1cncc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)n1 ZINC000629509710 361103822 /nfs/dbraw/zinc/10/38/22/361103822.db2.gz IODJJCALZXRDIR-GXSJLCMTSA-N 2 2 236.319 0.654 20 0 BCADLP CC(C)(C)CNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000629511657 361105774 /nfs/dbraw/zinc/10/57/74/361105774.db2.gz LZLCETHYGLGVAL-JTQLQIEISA-N 2 2 227.352 0.429 20 0 BCADLP CC(C)(C)CNC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000629511657 361105777 /nfs/dbraw/zinc/10/57/77/361105777.db2.gz LZLCETHYGLGVAL-JTQLQIEISA-N 2 2 227.352 0.429 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)CCOC1CCOCC1 ZINC000629510917 361108537 /nfs/dbraw/zinc/10/85/37/361108537.db2.gz XNVCIIAPWQEATB-SNVBAGLBSA-N 2 2 216.325 0.461 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)CCOC1CCOCC1 ZINC000629510917 361108543 /nfs/dbraw/zinc/10/85/43/361108543.db2.gz XNVCIIAPWQEATB-SNVBAGLBSA-N 2 2 216.325 0.461 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCOC1CCOCC1 ZINC000629514943 361112731 /nfs/dbraw/zinc/11/27/31/361112731.db2.gz WKXJWVPHLDXOGM-LBPRGKRZSA-N 2 2 242.363 0.866 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCOC1CCOCC1 ZINC000629514943 361112736 /nfs/dbraw/zinc/11/27/36/361112736.db2.gz WKXJWVPHLDXOGM-LBPRGKRZSA-N 2 2 242.363 0.866 20 0 BCADLP COc1cncc(C[NH+]2CCC(C)([NH3+])CC2)n1 ZINC000629527076 361131756 /nfs/dbraw/zinc/13/17/56/361131756.db2.gz JKSYOSBCYJYFGV-UHFFFAOYSA-N 2 2 236.319 0.798 20 0 BCADLP C[C@H](O)[C@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000578987618 366687334 /nfs/dbraw/zinc/68/73/34/366687334.db2.gz IZMQRFXJWGCPNC-TUAOUCFPSA-N 2 2 228.336 0.068 20 0 BCADLP C[C@H](O)[C@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000578987618 366687340 /nfs/dbraw/zinc/68/73/40/366687340.db2.gz IZMQRFXJWGCPNC-TUAOUCFPSA-N 2 2 228.336 0.068 20 0 BCADLP CCn1nnc(C)c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000629529331 361138876 /nfs/dbraw/zinc/13/88/76/361138876.db2.gz ZQHXJTFMMARSTD-PHIMTYICSA-N 2 2 235.335 0.258 20 0 BCADLP CCn1nnc(C)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000629529331 361138883 /nfs/dbraw/zinc/13/88/83/361138883.db2.gz ZQHXJTFMMARSTD-PHIMTYICSA-N 2 2 235.335 0.258 20 0 BCADLP Nc1ncccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000629531921 361150241 /nfs/dbraw/zinc/15/02/41/361150241.db2.gz DVZTUNHSZJYWFR-PWSUYJOCSA-N 2 2 232.331 0.848 20 0 BCADLP Nc1ncccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000629531921 361150246 /nfs/dbraw/zinc/15/02/46/361150246.db2.gz DVZTUNHSZJYWFR-PWSUYJOCSA-N 2 2 232.331 0.848 20 0 BCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000629532063 361151333 /nfs/dbraw/zinc/15/13/33/361151333.db2.gz JTHIQIDHAGACBT-VXGBXAGGSA-N 2 2 249.362 0.790 20 0 BCADLP CCn1nnc(C)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000629532063 361151341 /nfs/dbraw/zinc/15/13/41/361151341.db2.gz JTHIQIDHAGACBT-VXGBXAGGSA-N 2 2 249.362 0.790 20 0 BCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000629532060 361152044 /nfs/dbraw/zinc/15/20/44/361152044.db2.gz JTHIQIDHAGACBT-NEPJUHHUSA-N 2 2 249.362 0.790 20 0 BCADLP CCn1nnc(C)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000629532060 361152050 /nfs/dbraw/zinc/15/20/50/361152050.db2.gz JTHIQIDHAGACBT-NEPJUHHUSA-N 2 2 249.362 0.790 20 0 BCADLP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCCc2ncccc21 ZINC000631579866 361153964 /nfs/dbraw/zinc/15/39/64/361153964.db2.gz KEBCEMVKXZOLLG-FZMZJTMJSA-N 2 2 249.358 0.971 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1COCCN1C)[C@@H]1CCCC[NH2+]1 ZINC000629532887 361155682 /nfs/dbraw/zinc/15/56/82/361155682.db2.gz XCRYUSCMWOXHGA-XQQFMLRXSA-N 2 2 241.379 0.437 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@H]1CCCOC1 ZINC000159080906 361219925 /nfs/dbraw/zinc/21/99/25/361219925.db2.gz JINOUDXBCAVLMM-WDEREUQCSA-N 2 2 200.326 0.953 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640485585 361279022 /nfs/dbraw/zinc/27/90/22/361279022.db2.gz ILZUANKZOMXOOG-MWLCHTKSSA-N 2 2 207.277 0.029 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640485585 361279028 /nfs/dbraw/zinc/27/90/28/361279028.db2.gz ILZUANKZOMXOOG-MWLCHTKSSA-N 2 2 207.277 0.029 20 0 BCADLP [NH3+]C1(C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000269238268 181327504 /nfs/dbraw/zinc/32/75/04/181327504.db2.gz OXGMZQWEIYAPTM-UHFFFAOYSA-N 2 2 230.271 0.442 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cn[nH]c1 ZINC000309745571 491155847 /nfs/dbraw/zinc/15/58/47/491155847.db2.gz FLSSODZYUPNQFI-JOYOIKCWSA-N 2 2 220.320 0.982 20 0 BCADLP Cn1nc(C2CC2)nc1C[NH+]1CCC(C[NH3+])CC1 ZINC000579122718 366717289 /nfs/dbraw/zinc/71/72/89/366717289.db2.gz JOKJBXROPCAFTM-UHFFFAOYSA-N 2 2 249.362 0.863 20 0 BCADLP C[C@@H](c1ccccn1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000579126058 366719066 /nfs/dbraw/zinc/71/90/66/366719066.db2.gz JFFKUKUYIYVZJD-UWVGGRQHSA-N 2 2 209.293 0.394 20 0 BCADLP C[C@@H](c1ccccn1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000579126058 366719074 /nfs/dbraw/zinc/71/90/74/366719074.db2.gz JFFKUKUYIYVZJD-UWVGGRQHSA-N 2 2 209.293 0.394 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000575007534 361321645 /nfs/dbraw/zinc/32/16/45/361321645.db2.gz DHHMDYVICKYUJA-VHSXEESVSA-N 2 2 234.303 0.098 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000575007534 361321648 /nfs/dbraw/zinc/32/16/48/361321648.db2.gz DHHMDYVICKYUJA-VHSXEESVSA-N 2 2 234.303 0.098 20 0 BCADLP Cc1ccncc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000629539415 361404707 /nfs/dbraw/zinc/40/47/07/361404707.db2.gz XMHGBEKIHDZNLG-NSHDSACASA-N 2 2 209.293 0.141 20 0 BCADLP Cc1ccncc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000629539415 361404709 /nfs/dbraw/zinc/40/47/09/361404709.db2.gz XMHGBEKIHDZNLG-NSHDSACASA-N 2 2 209.293 0.141 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCOC1CCOCC1 ZINC000629539611 361406225 /nfs/dbraw/zinc/40/62/25/361406225.db2.gz YASOIWFQZGPQQC-JQWIXIFHSA-N 2 2 228.336 0.604 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCOC1CCOCC1 ZINC000629539611 361406231 /nfs/dbraw/zinc/40/62/31/361406231.db2.gz YASOIWFQZGPQQC-JQWIXIFHSA-N 2 2 228.336 0.604 20 0 BCADLP c1cn(CC[N@@H+]2CCc3nn[nH]c3C2)c[nH+]1 ZINC000429319510 201100947 /nfs/dbraw/zinc/10/09/47/201100947.db2.gz UYXDCSLALIQATM-UHFFFAOYSA-N 2 2 218.264 0.060 20 0 BCADLP c1cn(CC[N@H+]2CCc3nn[nH]c3C2)c[nH+]1 ZINC000429319510 201100949 /nfs/dbraw/zinc/10/09/49/201100949.db2.gz UYXDCSLALIQATM-UHFFFAOYSA-N 2 2 218.264 0.060 20 0 BCADLP C[C@@H](Cc1cnccn1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629543775 361413448 /nfs/dbraw/zinc/41/34/48/361413448.db2.gz BCJJXKBTUDSCMQ-JBLDHEPKSA-N 2 2 220.320 0.748 20 0 BCADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C[NH2+]1 ZINC000629540360 361414493 /nfs/dbraw/zinc/41/44/93/361414493.db2.gz OXIHBIAWTNRNRO-IJLUTSLNSA-N 3 2 211.353 0.859 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000629544086 361421414 /nfs/dbraw/zinc/42/14/14/361421414.db2.gz GMWRZGBMDFXIEH-MWLCHTKSSA-N 2 2 221.304 0.875 20 0 BCADLP CC[N@H+](CC[NH3+])Cc1ccc(C(=O)NC)cc1 ZINC000629556397 361450580 /nfs/dbraw/zinc/45/05/80/361450580.db2.gz IKUUYXNZRNYWSD-UHFFFAOYSA-N 2 2 235.331 0.827 20 0 BCADLP CC[N@@H+](CC[NH3+])Cc1ccc(C(=O)NC)cc1 ZINC000629556397 361450582 /nfs/dbraw/zinc/45/05/82/361450582.db2.gz IKUUYXNZRNYWSD-UHFFFAOYSA-N 2 2 235.331 0.827 20 0 BCADLP CO[C@H]1C[C@@H](C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000629554701 361436360 /nfs/dbraw/zinc/43/63/60/361436360.db2.gz NZOWVVJLISPXJV-WUHRBBMRSA-N 2 2 242.363 0.768 20 0 BCADLP Cn1cc[nH+]c1[C@@H](N[C@@H]1CC[NH2+]C1)C1CC1 ZINC000629553373 361438967 /nfs/dbraw/zinc/43/89/67/361438967.db2.gz OACGAMVXUWFRCW-MNOVXSKESA-N 2 2 220.320 0.823 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCN(C)CC(F)F ZINC000629556789 361445123 /nfs/dbraw/zinc/44/51/23/361445123.db2.gz YOAQWAUYJHVOMD-ZJUUUORDSA-N 2 2 235.322 0.771 20 0 BCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542530 361419516 /nfs/dbraw/zinc/41/95/16/361419516.db2.gz FKNUEPVADUJOBZ-VWYCJHECSA-N 2 2 248.392 0.540 20 0 BCADLP C[NH2+]CCOCC[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000629568417 361460916 /nfs/dbraw/zinc/46/09/16/361460916.db2.gz KBMZPVHFLZZZRW-VIFPVBQESA-N 2 2 242.323 0.607 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000629568417 361460921 /nfs/dbraw/zinc/46/09/21/361460921.db2.gz KBMZPVHFLZZZRW-VIFPVBQESA-N 2 2 242.323 0.607 20 0 BCADLP C[N@H+](CCOCC[NH3+])Cc1cc2n(n1)CCC2 ZINC000629580475 361465357 /nfs/dbraw/zinc/46/53/57/361465357.db2.gz DCNXSQBFGWROAZ-UHFFFAOYSA-N 2 2 238.335 0.236 20 0 BCADLP C[N@@H+](CCOCC[NH3+])Cc1cc2n(n1)CCC2 ZINC000629580475 361465363 /nfs/dbraw/zinc/46/53/63/361465363.db2.gz DCNXSQBFGWROAZ-UHFFFAOYSA-N 2 2 238.335 0.236 20 0 BCADLP FCC[C@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000629580752 361468776 /nfs/dbraw/zinc/46/87/76/361468776.db2.gz GNTFPRPWQIXEIR-QWRGUYRKSA-N 2 2 216.300 0.656 20 0 BCADLP FCC[C@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000629580752 361468780 /nfs/dbraw/zinc/46/87/80/361468780.db2.gz GNTFPRPWQIXEIR-QWRGUYRKSA-N 2 2 216.300 0.656 20 0 BCADLP FC1(F)COCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000629582098 361471927 /nfs/dbraw/zinc/47/19/27/361471927.db2.gz NTUMFKNRTGQNPI-SNVBAGLBSA-N 2 2 234.290 0.954 20 0 BCADLP FC1(F)COCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000629582098 361471934 /nfs/dbraw/zinc/47/19/34/361471934.db2.gz NTUMFKNRTGQNPI-SNVBAGLBSA-N 2 2 234.290 0.954 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629596442 361483674 /nfs/dbraw/zinc/48/36/74/361483674.db2.gz ZTCHYMIFNJVZMN-JLLWLGSASA-N 2 2 225.336 0.182 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629596442 361483679 /nfs/dbraw/zinc/48/36/79/361483679.db2.gz ZTCHYMIFNJVZMN-JLLWLGSASA-N 2 2 225.336 0.182 20 0 BCADLP C[NH2+]CCC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592400 361485075 /nfs/dbraw/zinc/48/50/75/361485075.db2.gz BUZZZHSCSDYVTR-TXEJJXNPSA-N 3 2 211.353 0.527 20 0 BCADLP C[NH2+]CCC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592400 361485078 /nfs/dbraw/zinc/48/50/78/361485078.db2.gz BUZZZHSCSDYVTR-TXEJJXNPSA-N 3 2 211.353 0.527 20 0 BCADLP Cc1ncccc1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000629598560 361488582 /nfs/dbraw/zinc/48/85/82/361488582.db2.gz NFSNCAAAYYMZBT-AWEZNQCLSA-N 2 2 249.358 0.935 20 0 BCADLP Cc1ncccc1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000629598560 361488589 /nfs/dbraw/zinc/48/85/89/361488589.db2.gz NFSNCAAAYYMZBT-AWEZNQCLSA-N 2 2 249.358 0.935 20 0 BCADLP C[C@@H]1CC[S@](=O)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000433182893 201167116 /nfs/dbraw/zinc/16/71/16/201167116.db2.gz PKZYVQOKCBBMLB-BZNIZROVSA-N 2 2 241.360 0.726 20 0 BCADLP C[C@@H]1CC[S@](=O)CC[N@H+]1CCn1cc[nH+]c1 ZINC000433182893 201167119 /nfs/dbraw/zinc/16/71/19/201167119.db2.gz PKZYVQOKCBBMLB-BZNIZROVSA-N 2 2 241.360 0.726 20 0 BCADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)CC[S@@](=O)C1 ZINC000433272550 201173012 /nfs/dbraw/zinc/17/30/12/201173012.db2.gz PPNVMDXXLABCOV-BDJLRTHQSA-N 2 2 241.360 0.584 20 0 BCADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CC[S@@](=O)C1 ZINC000433272550 201173016 /nfs/dbraw/zinc/17/30/16/201173016.db2.gz PPNVMDXXLABCOV-BDJLRTHQSA-N 2 2 241.360 0.584 20 0 BCADLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629655717 361560339 /nfs/dbraw/zinc/56/03/39/361560339.db2.gz YCPHYMAFWJIJCN-NEPJUHHUSA-N 3 2 241.379 0.615 20 0 BCADLP C[C@@H]1CC[C@@H]([NH2+]C[C@]2(C)CC[NH2+]C2)C[NH2+]1 ZINC000629659741 361564799 /nfs/dbraw/zinc/56/47/99/361564799.db2.gz GAJHHDYZNKVVMM-IJLUTSLNSA-N 3 2 211.353 0.716 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CC2=CCCOC2)CCO1 ZINC000629652024 361550259 /nfs/dbraw/zinc/55/02/59/361550259.db2.gz SPYRLCYATXMUMN-PWSUYJOCSA-N 2 2 226.320 0.381 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CC2=CCCOC2)CCO1 ZINC000629652024 361550266 /nfs/dbraw/zinc/55/02/66/361550266.db2.gz SPYRLCYATXMUMN-PWSUYJOCSA-N 2 2 226.320 0.381 20 0 BCADLP [NH3+]CCC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000037037846 361594634 /nfs/dbraw/zinc/59/46/34/361594634.db2.gz KBKRAFXANLJNDC-UHFFFAOYSA-N 2 2 225.258 0.515 20 0 BCADLP COC[C@]1(C)C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000629673650 361596869 /nfs/dbraw/zinc/59/68/69/361596869.db2.gz AGJFNWSUXRAOFB-STQMWFEESA-N 2 2 242.363 0.723 20 0 BCADLP COC[C@]1(C)C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000629673650 361596873 /nfs/dbraw/zinc/59/68/73/361596873.db2.gz AGJFNWSUXRAOFB-STQMWFEESA-N 2 2 242.363 0.723 20 0 BCADLP Cc1cn[nH]c1C[N@H+](C)CCOCC[NH3+] ZINC000629665051 361587684 /nfs/dbraw/zinc/58/76/84/361587684.db2.gz NCKLWCCUZMEDFF-UHFFFAOYSA-N 2 2 212.297 0.125 20 0 BCADLP Cc1cn[nH]c1C[N@@H+](C)CCOCC[NH3+] ZINC000629665051 361587687 /nfs/dbraw/zinc/58/76/87/361587687.db2.gz NCKLWCCUZMEDFF-UHFFFAOYSA-N 2 2 212.297 0.125 20 0 BCADLP Cc1c[nH]nc1C[N@H+](C)CCOCC[NH3+] ZINC000629665051 361587692 /nfs/dbraw/zinc/58/76/92/361587692.db2.gz NCKLWCCUZMEDFF-UHFFFAOYSA-N 2 2 212.297 0.125 20 0 BCADLP Cc1c[nH]nc1C[N@@H+](C)CCOCC[NH3+] ZINC000629665051 361587696 /nfs/dbraw/zinc/58/76/96/361587696.db2.gz NCKLWCCUZMEDFF-UHFFFAOYSA-N 2 2 212.297 0.125 20 0 BCADLP COCCOCC[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435231291 201257973 /nfs/dbraw/zinc/25/79/73/201257973.db2.gz UNVHHXHGQPWZEU-GFCCVEGCSA-N 2 2 228.336 0.476 20 0 BCADLP COCCOCC[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435231291 201257977 /nfs/dbraw/zinc/25/79/77/201257977.db2.gz UNVHHXHGQPWZEU-GFCCVEGCSA-N 2 2 228.336 0.476 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)C[NH+](C)C ZINC000622081821 370697632 /nfs/dbraw/zinc/69/76/32/370697632.db2.gz DBJROJVKKFINEZ-SECBINFHSA-N 2 2 224.308 0.642 20 0 BCADLP C[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)C[NH2+]1 ZINC000398945668 364203270 /nfs/dbraw/zinc/20/32/70/364203270.db2.gz ARDMZSJZBIQNFC-ONGXEEELSA-N 2 2 208.309 0.650 20 0 BCADLP [NH3+]CC1(C[NH2+]CC2([NH3+])CCCCC2)CC1 ZINC000332157000 181359303 /nfs/dbraw/zinc/35/93/03/181359303.db2.gz PWXJMSZESCPVLQ-UHFFFAOYSA-N 3 2 211.353 0.977 20 0 BCADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccnn2C)C[NH2+]1 ZINC000398967513 364376891 /nfs/dbraw/zinc/37/68/91/364376891.db2.gz SHGAGJHOKIFJBU-ZJUUUORDSA-N 2 2 208.309 0.650 20 0 BCADLP [NH3+]CCC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000237866060 181367767 /nfs/dbraw/zinc/36/77/67/181367767.db2.gz IJIAJUVYIGSPSI-UHFFFAOYSA-N 2 2 248.330 0.647 20 0 BCADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc[nH]n1 ZINC000252891153 364677330 /nfs/dbraw/zinc/67/73/30/364677330.db2.gz JOFQAORYJSVBSH-GXSJLCMTSA-N 2 2 208.309 0.840 20 0 BCADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc[nH]n1 ZINC000252891153 364677332 /nfs/dbraw/zinc/67/73/32/364677332.db2.gz JOFQAORYJSVBSH-GXSJLCMTSA-N 2 2 208.309 0.840 20 0 BCADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCS(=O)(=O)C2)C[NH2+]1 ZINC000399035024 364737943 /nfs/dbraw/zinc/73/79/43/364737943.db2.gz NOMZHQINSVSXAD-MXWKQRLJSA-N 2 2 246.376 0.294 20 0 BCADLP CCO[C@H]1C[C@@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000573346861 364807606 /nfs/dbraw/zinc/80/76/06/364807606.db2.gz YGMNYBVEHDFZLJ-QWRGUYRKSA-N 2 2 238.335 0.753 20 0 BCADLP Cc1[nH]ccc1C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000573564738 364863412 /nfs/dbraw/zinc/86/34/12/364863412.db2.gz MTOAFPJBHLELAX-SNVBAGLBSA-N 2 2 236.319 0.038 20 0 BCADLP Cc1[nH]ccc1C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000573564738 364863416 /nfs/dbraw/zinc/86/34/16/364863416.db2.gz MTOAFPJBHLELAX-SNVBAGLBSA-N 2 2 236.319 0.038 20 0 BCADLP C[C@@H](C(N)=O)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000168544490 364953882 /nfs/dbraw/zinc/95/38/82/364953882.db2.gz MXAGCJLOYAMBFN-VIFPVBQESA-N 2 2 225.336 0.324 20 0 BCADLP C[NH2+]Cc1noc([C@@H]2CC[NH2+][C@@H]2C(C)C)n1 ZINC000573964261 364955779 /nfs/dbraw/zinc/95/57/79/364955779.db2.gz XSMZXUDQIFIHLD-PSASIEDQSA-N 2 2 224.308 0.891 20 0 BCADLP CN1CC[C@H]([N@@H+]2CC3CCC2(C[NH3+])CC3)C1=O ZINC000574339281 365041091 /nfs/dbraw/zinc/04/10/91/365041091.db2.gz OUHSHZFDZUXUFT-AKJDGMEZSA-N 2 2 237.347 0.420 20 0 BCADLP CN1CC[C@H]([N@H+]2CC3CCC2(C[NH3+])CC3)C1=O ZINC000574339281 365041093 /nfs/dbraw/zinc/04/10/93/365041093.db2.gz OUHSHZFDZUXUFT-AKJDGMEZSA-N 2 2 237.347 0.420 20 0 BCADLP FC(F)(F)Cn1cc[nH+]c1CN[C@H]1CC[NH2+]C1 ZINC000574339426 365042478 /nfs/dbraw/zinc/04/24/78/365042478.db2.gz HBJKPUVGMQERPN-QMMMGPOBSA-N 2 2 248.252 0.897 20 0 BCADLP [NH3+]CCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000178346792 181381868 /nfs/dbraw/zinc/38/18/68/181381868.db2.gz GJOXMHRPZIFHJL-UHFFFAOYSA-N 2 2 218.260 0.413 20 0 BCADLP [NH3+]CCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000368474106 181394461 /nfs/dbraw/zinc/39/44/61/181394461.db2.gz BZCATDJFMQEUPD-UHFFFAOYSA-N 2 2 239.344 0.181 20 0 BCADLP [NH3+]CCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC000368474106 181394465 /nfs/dbraw/zinc/39/44/65/181394465.db2.gz BZCATDJFMQEUPD-UHFFFAOYSA-N 2 2 239.344 0.181 20 0 BCADLP Cn1cc[nH+]c1CSC[C@H]1C[N@H+](C)CCO1 ZINC000574808646 365144599 /nfs/dbraw/zinc/14/45/99/365144599.db2.gz BPCUURUSNFQPAZ-SNVBAGLBSA-N 2 2 241.360 0.984 20 0 BCADLP Cn1cc[nH+]c1CSC[C@H]1C[N@@H+](C)CCO1 ZINC000574808646 365144602 /nfs/dbraw/zinc/14/46/02/365144602.db2.gz BPCUURUSNFQPAZ-SNVBAGLBSA-N 2 2 241.360 0.984 20 0 BCADLP C[C@@]1(C(=O)NCCNc2cccc[nH+]2)CC[NH2+]C1 ZINC000574808095 365147252 /nfs/dbraw/zinc/14/72/52/365147252.db2.gz SDWQXELREFOZKT-CYBMUJFWSA-N 2 2 248.330 0.609 20 0 BCADLP C[NH+]1CCN(C(=O)c2coc(C[NH3+])c2)CC1 ZINC000444268957 193043238 /nfs/dbraw/zinc/04/32/38/193043238.db2.gz KGVICNWHEQGTFF-UHFFFAOYSA-N 2 2 223.276 0.126 20 0 BCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1CC[NH2+]1 ZINC000444263005 193044046 /nfs/dbraw/zinc/04/40/46/193044046.db2.gz DAFBIRBAYCFFNC-SNVBAGLBSA-N 2 2 236.319 0.517 20 0 BCADLP C[N@H+](CCC[NH+]1CCCCC1)CC(N)=O ZINC000444583972 193050362 /nfs/dbraw/zinc/05/03/62/193050362.db2.gz QSXXMCIZWYRKKN-UHFFFAOYSA-N 2 2 213.325 0.280 20 0 BCADLP C[N@@H+](CCC[NH+]1CCCCC1)CC(N)=O ZINC000444583972 193050363 /nfs/dbraw/zinc/05/03/63/193050363.db2.gz QSXXMCIZWYRKKN-UHFFFAOYSA-N 2 2 213.325 0.280 20 0 BCADLP C[C@@H]1C(=O)NCC[N@H+]1CCCc1c[nH+]cn1C ZINC000575759673 365356467 /nfs/dbraw/zinc/35/64/67/365356467.db2.gz UWTIHJSKENDVEC-SNVBAGLBSA-N 2 2 236.319 0.173 20 0 BCADLP C[C@@H]1C(=O)NCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000575759673 365356474 /nfs/dbraw/zinc/35/64/74/365356474.db2.gz UWTIHJSKENDVEC-SNVBAGLBSA-N 2 2 236.319 0.173 20 0 BCADLP CC[NH+](CC)C[C@H](O)C[N@H+](C)CCOC ZINC000379880164 365336102 /nfs/dbraw/zinc/33/61/02/365336102.db2.gz VIQJPZZOUGVMRX-LLVKDONJSA-N 2 2 218.341 0.267 20 0 BCADLP CC[NH+](CC)C[C@H](O)C[N@@H+](C)CCOC ZINC000379880164 365336103 /nfs/dbraw/zinc/33/61/03/365336103.db2.gz VIQJPZZOUGVMRX-LLVKDONJSA-N 2 2 218.341 0.267 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CF ZINC000575879065 365404219 /nfs/dbraw/zinc/40/42/19/365404219.db2.gz IDSHXXIXMXFUDF-MNOVXSKESA-N 2 2 218.316 0.733 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CF ZINC000575879065 365404223 /nfs/dbraw/zinc/40/42/23/365404223.db2.gz IDSHXXIXMXFUDF-MNOVXSKESA-N 2 2 218.316 0.733 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CF ZINC000575879065 365404229 /nfs/dbraw/zinc/40/42/29/365404229.db2.gz IDSHXXIXMXFUDF-MNOVXSKESA-N 2 2 218.316 0.733 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1CF ZINC000575879065 365404234 /nfs/dbraw/zinc/40/42/34/365404234.db2.gz IDSHXXIXMXFUDF-MNOVXSKESA-N 2 2 218.316 0.733 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC000173881522 365454129 /nfs/dbraw/zinc/45/41/29/365454129.db2.gz CTMMVURLSMHCFE-VHSXEESVSA-N 2 2 213.325 0.134 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC000173881522 365454130 /nfs/dbraw/zinc/45/41/30/365454130.db2.gz CTMMVURLSMHCFE-VHSXEESVSA-N 2 2 213.325 0.134 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC000173881522 365454134 /nfs/dbraw/zinc/45/41/34/365454134.db2.gz CTMMVURLSMHCFE-VHSXEESVSA-N 2 2 213.325 0.134 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC000173881522 365454135 /nfs/dbraw/zinc/45/41/35/365454135.db2.gz CTMMVURLSMHCFE-VHSXEESVSA-N 2 2 213.325 0.134 20 0 BCADLP C[C@@H]([NH3+])C[NH+]1CCC(Cn2cncn2)CC1 ZINC000576108643 365489826 /nfs/dbraw/zinc/48/98/26/365489826.db2.gz SMGLLTDEGRCYAG-SNVBAGLBSA-N 2 2 223.324 0.337 20 0 BCADLP CCC[NH2+][C@@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000564935839 325828773 /nfs/dbraw/zinc/82/87/73/325828773.db2.gz HAOTVNCRIZLFJS-VIFPVBQESA-N 2 2 224.308 0.457 20 0 BCADLP Cc1cc(NC(=O)N[C@@H](C)CC[NH3+])c(C)c[nH+]1 ZINC000579687677 366980368 /nfs/dbraw/zinc/98/03/68/366980368.db2.gz MRVYDFCHIZXOHB-VIFPVBQESA-N 2 2 236.319 0.979 20 0 BCADLP COC[C@@H](O)C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000579943136 367094332 /nfs/dbraw/zinc/09/43/32/367094332.db2.gz CIGPJEAPKHQSGF-LBPRGKRZSA-N 2 2 249.314 0.474 20 0 BCADLP OCCC[N@@H+]1CCC[C@H]([NH2+]CC2(O)CCC2)C1 ZINC000579952637 367099502 /nfs/dbraw/zinc/09/95/02/367099502.db2.gz IREMSZWBZBZZTL-LBPRGKRZSA-N 2 2 242.363 0.338 20 0 BCADLP OCCC[N@H+]1CCC[C@H]([NH2+]CC2(O)CCC2)C1 ZINC000579952637 367099505 /nfs/dbraw/zinc/09/95/05/367099505.db2.gz IREMSZWBZBZZTL-LBPRGKRZSA-N 2 2 242.363 0.338 20 0 BCADLP C[C@@H](CC(=O)NC[C@H]([NH3+])C1CC1)n1cc[nH+]c1 ZINC000580959699 367217856 /nfs/dbraw/zinc/21/78/56/367217856.db2.gz YTYTUQAALRBAQQ-ONGXEEELSA-N 2 2 236.319 0.688 20 0 BCADLP C[C@@H](CC(=O)NC[C@@H]([NH3+])C1CC1)n1cc[nH+]c1 ZINC000580959696 367218226 /nfs/dbraw/zinc/21/82/26/367218226.db2.gz YTYTUQAALRBAQQ-GXSJLCMTSA-N 2 2 236.319 0.688 20 0 BCADLP C[N@@H+]1CC[C@H](C(=O)NC(C)(C)c2[nH]cc[nH+]2)C1 ZINC000581137361 367274840 /nfs/dbraw/zinc/27/48/40/367274840.db2.gz QSGNGIQZNJIRRN-VIFPVBQESA-N 2 2 236.319 0.713 20 0 BCADLP C[N@H+]1CC[C@H](C(=O)NC(C)(C)c2[nH]cc[nH+]2)C1 ZINC000581137361 367274845 /nfs/dbraw/zinc/27/48/45/367274845.db2.gz QSGNGIQZNJIRRN-VIFPVBQESA-N 2 2 236.319 0.713 20 0 BCADLP CC[C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000380971546 367326797 /nfs/dbraw/zinc/32/67/97/367326797.db2.gz APWHGKLVMCSBEV-RYUDHWBXSA-N 2 2 232.368 0.656 20 0 BCADLP CC[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000380971546 367326805 /nfs/dbraw/zinc/32/68/05/367326805.db2.gz APWHGKLVMCSBEV-RYUDHWBXSA-N 2 2 232.368 0.656 20 0 BCADLP CC[C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)CCOC ZINC000380971546 367326808 /nfs/dbraw/zinc/32/68/08/367326808.db2.gz APWHGKLVMCSBEV-RYUDHWBXSA-N 2 2 232.368 0.656 20 0 BCADLP CC[C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000380971546 367326813 /nfs/dbraw/zinc/32/68/13/367326813.db2.gz APWHGKLVMCSBEV-RYUDHWBXSA-N 2 2 232.368 0.656 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)CCN1CCCC1=O ZINC000581357508 367385659 /nfs/dbraw/zinc/38/56/59/367385659.db2.gz DCIDNPMXLQPPLO-GFCCVEGCSA-N 2 2 241.379 0.914 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)CCN1CCCC1=O ZINC000581357508 367385661 /nfs/dbraw/zinc/38/56/61/367385661.db2.gz DCIDNPMXLQPPLO-GFCCVEGCSA-N 2 2 241.379 0.914 20 0 BCADLP CCC[NH2+][C@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000581432325 367468646 /nfs/dbraw/zinc/46/86/46/367468646.db2.gz RZKCSNDQDRXULB-SECBINFHSA-N 2 2 224.308 0.722 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000382414856 367518508 /nfs/dbraw/zinc/51/85/08/367518508.db2.gz VRHQVFFBEIOEGQ-WRWGMCAJSA-N 2 2 210.321 0.463 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000382414856 367518514 /nfs/dbraw/zinc/51/85/14/367518514.db2.gz VRHQVFFBEIOEGQ-WRWGMCAJSA-N 2 2 210.321 0.463 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000382414861 367519355 /nfs/dbraw/zinc/51/93/55/367519355.db2.gz VRHQVFFBEIOEGQ-YFKTTZPYSA-N 2 2 210.321 0.463 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000382414861 367519358 /nfs/dbraw/zinc/51/93/58/367519358.db2.gz VRHQVFFBEIOEGQ-YFKTTZPYSA-N 2 2 210.321 0.463 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000383115249 367598391 /nfs/dbraw/zinc/59/83/91/367598391.db2.gz FVRGMXQXARNEOT-NXEZZACHSA-N 2 2 236.319 0.528 20 0 BCADLP C[N@H+](CC(=O)NCc1ccccc1)C1CC([NH3+])C1 ZINC000384883336 367750201 /nfs/dbraw/zinc/75/02/01/367750201.db2.gz JBUFUOZJJPBRQM-UHFFFAOYSA-N 2 2 247.342 0.724 20 0 BCADLP C[N@@H+](CC(=O)NCc1ccccc1)C1CC([NH3+])C1 ZINC000384883336 367750203 /nfs/dbraw/zinc/75/02/03/367750203.db2.gz JBUFUOZJJPBRQM-UHFFFAOYSA-N 2 2 247.342 0.724 20 0 BCADLP COCc1noc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000581726720 367792329 /nfs/dbraw/zinc/79/23/29/367792329.db2.gz BHRLOVGWJGVXNS-BDAKNGLRSA-N 2 2 240.307 0.385 20 0 BCADLP COCc1noc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000581726720 367792332 /nfs/dbraw/zinc/79/23/32/367792332.db2.gz BHRLOVGWJGVXNS-BDAKNGLRSA-N 2 2 240.307 0.385 20 0 BCADLP COCc1noc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000581726722 367792654 /nfs/dbraw/zinc/79/26/54/367792654.db2.gz BHRLOVGWJGVXNS-IUCAKERBSA-N 2 2 240.307 0.385 20 0 BCADLP COCc1noc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000581726722 367792660 /nfs/dbraw/zinc/79/26/60/367792660.db2.gz BHRLOVGWJGVXNS-IUCAKERBSA-N 2 2 240.307 0.385 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(C)(C)O)C1 ZINC000385119119 367795582 /nfs/dbraw/zinc/79/55/82/367795582.db2.gz FGLWOZGPELBZBS-NEPJUHHUSA-N 2 2 244.379 0.846 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(C)(C)O)C1 ZINC000385119119 367795588 /nfs/dbraw/zinc/79/55/88/367795588.db2.gz FGLWOZGPELBZBS-NEPJUHHUSA-N 2 2 244.379 0.846 20 0 BCADLP CC[C@H]1[NH2+]CC[C@@H]1c1nc(C[NH2+]C)no1 ZINC000581883819 367875001 /nfs/dbraw/zinc/87/50/01/367875001.db2.gz BLDMADVDOKJGCF-JGVFFNPUSA-N 2 2 210.281 0.645 20 0 BCADLP c1ncn(CC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000385582057 367843065 /nfs/dbraw/zinc/84/30/65/367843065.db2.gz FZRIJXUMYKFGTD-CHWSQXEVSA-N 2 2 249.362 0.885 20 0 BCADLP c1ncn(CC[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000385582057 367843073 /nfs/dbraw/zinc/84/30/73/367843073.db2.gz FZRIJXUMYKFGTD-CHWSQXEVSA-N 2 2 249.362 0.885 20 0 BCADLP c1ncn(CC[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000385582125 367843321 /nfs/dbraw/zinc/84/33/21/367843321.db2.gz FZRIJXUMYKFGTD-OLZOCXBDSA-N 2 2 249.362 0.885 20 0 BCADLP c1ncn(CC[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000385582125 367843327 /nfs/dbraw/zinc/84/33/27/367843327.db2.gz FZRIJXUMYKFGTD-OLZOCXBDSA-N 2 2 249.362 0.885 20 0 BCADLP C[C@@H]([NH2+]CCNC(=O)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000386062273 367906857 /nfs/dbraw/zinc/90/68/57/367906857.db2.gz XONRHFYAZWWBIJ-ZYHUDNBSSA-N 2 2 239.363 0.633 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)CO)C1 ZINC000385921457 367882453 /nfs/dbraw/zinc/88/24/53/367882453.db2.gz SWIQFPVJHJZLPX-LBPRGKRZSA-N 2 2 244.379 0.705 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)CO)C1 ZINC000385921457 367882456 /nfs/dbraw/zinc/88/24/56/367882456.db2.gz SWIQFPVJHJZLPX-LBPRGKRZSA-N 2 2 244.379 0.705 20 0 BCADLP C[C@H]([NH2+]C[C@H](O)C(F)F)[C@@H]1CCCC[NH2+]1 ZINC000386583990 367997401 /nfs/dbraw/zinc/99/74/01/367997401.db2.gz PORWTDXRAVNKRV-CIUDSAMLSA-N 2 2 222.279 0.733 20 0 BCADLP CC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1[nH]cc[nH+]1 ZINC000386262971 367942192 /nfs/dbraw/zinc/94/21/92/367942192.db2.gz WHKSRSULHYBPOO-VHSXEESVSA-N 2 2 236.319 0.929 20 0 BCADLP CC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1[nH]cc[nH+]1 ZINC000386262971 367942197 /nfs/dbraw/zinc/94/21/97/367942197.db2.gz WHKSRSULHYBPOO-VHSXEESVSA-N 2 2 236.319 0.929 20 0 BCADLP C[C@H]1[C@H](CO)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000386271383 367943477 /nfs/dbraw/zinc/94/34/77/367943477.db2.gz MHAFUDAJFMTZGD-RYUDHWBXSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H]1[C@H](CO)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000386271383 367943480 /nfs/dbraw/zinc/94/34/80/367943480.db2.gz MHAFUDAJFMTZGD-RYUDHWBXSA-N 2 2 223.320 0.976 20 0 BCADLP CC[C@H]1[C@@H](CO)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000386358666 367956496 /nfs/dbraw/zinc/95/64/96/367956496.db2.gz ZCVVWANCONDSNR-NEPJUHHUSA-N 2 2 223.320 0.976 20 0 BCADLP CC[C@H]1[C@@H](CO)CC[N@H+]1CCn1cc[nH+]c1 ZINC000386358666 367956500 /nfs/dbraw/zinc/95/65/00/367956500.db2.gz ZCVVWANCONDSNR-NEPJUHHUSA-N 2 2 223.320 0.976 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386624415 368003077 /nfs/dbraw/zinc/00/30/77/368003077.db2.gz YRQQXDJFDKZZCU-OUAUKWLOSA-N 2 2 227.352 0.631 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000386458407 367977679 /nfs/dbraw/zinc/97/76/79/367977679.db2.gz OXMSGYLECSQJHU-AXFHLTTASA-N 2 2 225.336 0.337 20 0 BCADLP CC(C)[C@H](C(=O)N(C)Cc1[nH]cc[nH+]1)[C@@H](C)[NH3+] ZINC000399575636 368248646 /nfs/dbraw/zinc/24/86/46/368248646.db2.gz LQZJMRLFAVQPBR-KOLCDFICSA-N 2 2 238.335 0.988 20 0 BCADLP CCn1cc[nH+]c1CNC(=O)C1([NH+](C)C)CC1 ZINC000615710289 368219226 /nfs/dbraw/zinc/21/92/26/368219226.db2.gz MTOHNVAPRUXBJG-UHFFFAOYSA-N 2 2 236.319 0.613 20 0 BCADLP CC[NH2+]CCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000567159325 326125623 /nfs/dbraw/zinc/12/56/23/326125623.db2.gz GBPQUCCNUZKTFK-QWHCGFSZSA-N 3 2 241.379 0.343 20 0 BCADLP c1cnn(CC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631888797 370910142 /nfs/dbraw/zinc/91/01/42/370910142.db2.gz BCAJPALYDJMXMW-QWHCGFSZSA-N 2 2 234.347 0.957 20 0 BCADLP c1cnn(CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631888797 370910146 /nfs/dbraw/zinc/91/01/46/370910146.db2.gz BCAJPALYDJMXMW-QWHCGFSZSA-N 2 2 234.347 0.957 20 0 BCADLP C[N@H+](C[C@@H]1CCc2ncnn21)[C@H]1CC[NH2+]C1 ZINC000631822033 368974725 /nfs/dbraw/zinc/97/47/25/368974725.db2.gz QXZAUOXYKHYLNR-UWVGGRQHSA-N 2 2 221.308 0.059 20 0 BCADLP C[N@@H+](C[C@@H]1CCc2ncnn21)[C@H]1CC[NH2+]C1 ZINC000631822033 368974729 /nfs/dbraw/zinc/97/47/29/368974729.db2.gz QXZAUOXYKHYLNR-UWVGGRQHSA-N 2 2 221.308 0.059 20 0 BCADLP O[C@@H]1COCC[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000623766420 369004810 /nfs/dbraw/zinc/00/48/10/369004810.db2.gz GJSJDKZPUVCHEJ-VXGBXAGGSA-N 2 2 247.298 0.574 20 0 BCADLP [NH3+][C@@H]1CCCCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000631835632 369048321 /nfs/dbraw/zinc/04/83/21/369048321.db2.gz WNQBZEZXNHMEKR-CYBMUJFWSA-N 3 2 240.395 0.095 20 0 BCADLP [NH3+][C@@H]1CCCCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000631835632 369048329 /nfs/dbraw/zinc/04/83/29/369048329.db2.gz WNQBZEZXNHMEKR-CYBMUJFWSA-N 3 2 240.395 0.095 20 0 BCADLP [NH3+][C@H]1CCCCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000631835248 369042363 /nfs/dbraw/zinc/04/23/63/369042363.db2.gz PTJUHRIZKXLONG-VHSXEESVSA-N 2 2 211.309 0.078 20 0 BCADLP [NH3+][C@H]1CCCCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000631835248 369042365 /nfs/dbraw/zinc/04/23/65/369042365.db2.gz PTJUHRIZKXLONG-VHSXEESVSA-N 2 2 211.309 0.078 20 0 BCADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)C[N@@H+]1C1CC1 ZINC000623663148 369081179 /nfs/dbraw/zinc/08/11/79/369081179.db2.gz ZKZTXFYIMIXBMM-NAKRPEOUSA-N 2 2 237.347 0.465 20 0 BCADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)C[N@H+]1C1CC1 ZINC000623663148 369081184 /nfs/dbraw/zinc/08/11/84/369081184.db2.gz ZKZTXFYIMIXBMM-NAKRPEOUSA-N 2 2 237.347 0.465 20 0 BCADLP CC(C)[C@@H](C(=O)NC1C[NH+](C(C)C)C1)[NH+](C)C ZINC000457717088 203093138 /nfs/dbraw/zinc/09/31/38/203093138.db2.gz HSRDDFUDKZNZBV-LBPRGKRZSA-N 2 2 241.379 0.781 20 0 BCADLP CN(CCC[NH+](C)C)C(=O)Cc1c[nH+]cn1C ZINC000622484267 370950712 /nfs/dbraw/zinc/95/07/12/370950712.db2.gz CXPWPPPRKOPACW-UHFFFAOYSA-N 2 2 238.335 0.373 20 0 BCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NC1CCCC1 ZINC000107578889 369353728 /nfs/dbraw/zinc/35/37/28/369353728.db2.gz LGARYEXFVRUYPM-GHMZBOCLSA-N 2 2 237.347 0.196 20 0 BCADLP C[C@@H]1COCCN1CC[NH2+]C(C)(C)C[NH+](C)C ZINC000459551632 203299480 /nfs/dbraw/zinc/29/94/80/203299480.db2.gz SVQXWJZTDFYZBH-GFCCVEGCSA-N 2 2 243.395 0.637 20 0 BCADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000631857204 369436117 /nfs/dbraw/zinc/43/61/17/369436117.db2.gz DYZFOQHDHLPBBQ-CABZTGNLSA-N 2 2 233.315 0.707 20 0 BCADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000631857204 369436124 /nfs/dbraw/zinc/43/61/24/369436124.db2.gz DYZFOQHDHLPBBQ-CABZTGNLSA-N 2 2 233.315 0.707 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCCN1CCOCC1 ZINC000631860901 369469320 /nfs/dbraw/zinc/46/93/20/369469320.db2.gz RGPDRWNOHPSEHN-VXGBXAGGSA-N 2 2 227.352 0.130 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCCN1CCOCC1 ZINC000631860901 369469323 /nfs/dbraw/zinc/46/93/23/369469323.db2.gz RGPDRWNOHPSEHN-VXGBXAGGSA-N 2 2 227.352 0.130 20 0 BCADLP Cc1ccc(C[NH+]2CCC([NH2+]CCO)CC2)cn1 ZINC000631861904 369473350 /nfs/dbraw/zinc/47/33/50/369473350.db2.gz JSHHSLCKHCYQEL-UHFFFAOYSA-N 2 2 249.358 0.936 20 0 BCADLP C[N@H+](CCC(=O)NC1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000567893380 326278030 /nfs/dbraw/zinc/27/80/30/326278030.db2.gz LNVJVVJXVYSBNI-GFCCVEGCSA-N 2 2 239.363 0.729 20 0 BCADLP C[N@@H+](CCC(=O)NC1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000567893380 326278035 /nfs/dbraw/zinc/27/80/35/326278035.db2.gz LNVJVVJXVYSBNI-GFCCVEGCSA-N 2 2 239.363 0.729 20 0 BCADLP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1[nH+]ccn1C ZINC000620599544 369949081 /nfs/dbraw/zinc/94/90/81/369949081.db2.gz GDXSMKIDQXGCLB-ZJUUUORDSA-N 2 2 236.319 0.692 20 0 BCADLP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1[nH+]ccn1C ZINC000620599544 369949084 /nfs/dbraw/zinc/94/90/84/369949084.db2.gz GDXSMKIDQXGCLB-ZJUUUORDSA-N 2 2 236.319 0.692 20 0 BCADLP CC[C@H](C(=O)N[C@@H](C)c1[nH+]ccn1C)[NH+](C)C ZINC000620603234 369952028 /nfs/dbraw/zinc/95/20/28/369952028.db2.gz IUDOWIZLIUIXOT-VHSXEESVSA-N 2 2 238.335 0.938 20 0 BCADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620608440 369956871 /nfs/dbraw/zinc/95/68/71/369956871.db2.gz OEGOLNKHKSFNEF-SECBINFHSA-N 2 2 247.302 0.802 20 0 BCADLP CC[NH+](CC)CC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620594110 369946320 /nfs/dbraw/zinc/94/63/20/369946320.db2.gz BPWWMEUXFMBGSX-JTQLQIEISA-N 2 2 238.335 0.939 20 0 BCADLP CC[C@H](C)NC(=O)[C@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000252453834 370045062 /nfs/dbraw/zinc/04/50/62/370045062.db2.gz WOCISMUAJMIWSN-NNYUYHANSA-N 2 2 239.363 0.441 20 0 BCADLP C([NH2+][C@]12CCC[C@@H]1C[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC000631868015 370359187 /nfs/dbraw/zinc/35/91/87/370359187.db2.gz SIMOHGLQQKXPCX-UTUOFQBUSA-N 3 2 209.337 0.328 20 0 BCADLP CCn1nccc1CC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000621773997 370518426 /nfs/dbraw/zinc/51/84/26/370518426.db2.gz HZBABUMXFKNCQT-LLVKDONJSA-N 2 2 222.336 0.869 20 0 BCADLP CCn1nccc1CC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000621773997 370518433 /nfs/dbraw/zinc/51/84/33/370518433.db2.gz HZBABUMXFKNCQT-LLVKDONJSA-N 2 2 222.336 0.869 20 0 BCADLP C[N@@H+](Cc1cncc(Cl)c1)C[C@H](O)C[NH3+] ZINC000621776373 370524158 /nfs/dbraw/zinc/52/41/58/370524158.db2.gz KAMCIHKOXKQNTD-SNVBAGLBSA-N 2 2 229.711 0.486 20 0 BCADLP C[N@H+](Cc1cncc(Cl)c1)C[C@H](O)C[NH3+] ZINC000621776373 370524159 /nfs/dbraw/zinc/52/41/59/370524159.db2.gz KAMCIHKOXKQNTD-SNVBAGLBSA-N 2 2 229.711 0.486 20 0 BCADLP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000621783109 370529756 /nfs/dbraw/zinc/52/97/56/370529756.db2.gz XFTBGSANGLCBAZ-RYUDHWBXSA-N 2 2 220.320 0.733 20 0 BCADLP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000621783109 370529760 /nfs/dbraw/zinc/52/97/60/370529760.db2.gz XFTBGSANGLCBAZ-RYUDHWBXSA-N 2 2 220.320 0.733 20 0 BCADLP Cn1cc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000621783107 370531656 /nfs/dbraw/zinc/53/16/56/370531656.db2.gz XFTBGSANGLCBAZ-NEPJUHHUSA-N 2 2 220.320 0.733 20 0 BCADLP Cn1cc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000621783107 370531663 /nfs/dbraw/zinc/53/16/63/370531663.db2.gz XFTBGSANGLCBAZ-NEPJUHHUSA-N 2 2 220.320 0.733 20 0 BCADLP C[C@H]([NH3+])C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000568632118 326369298 /nfs/dbraw/zinc/36/92/98/326369298.db2.gz JAMXETXRCRENMV-ZETCQYMHSA-N 2 2 225.296 0.037 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+]C[C@@H]2CCSC2)C1 ZINC000623759060 371085261 /nfs/dbraw/zinc/08/52/61/371085261.db2.gz YKMCECWRZIGFKT-WDEREUQCSA-N 2 2 230.377 0.396 20 0 BCADLP O[C@@H]1CC[N@@H+](CC[NH2+]C[C@@H]2CCSC2)C1 ZINC000623759060 371085268 /nfs/dbraw/zinc/08/52/68/371085268.db2.gz YKMCECWRZIGFKT-WDEREUQCSA-N 2 2 230.377 0.396 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)CCO1 ZINC000623837469 371119599 /nfs/dbraw/zinc/11/95/99/371119599.db2.gz GLRLQOVJDAVGNG-TUAOUCFPSA-N 2 2 228.336 0.210 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)CCO1 ZINC000623837469 371119608 /nfs/dbraw/zinc/11/96/08/371119608.db2.gz GLRLQOVJDAVGNG-TUAOUCFPSA-N 2 2 228.336 0.210 20 0 BCADLP CC[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)CCO1 ZINC000623838414 371120895 /nfs/dbraw/zinc/12/08/95/371120895.db2.gz UJEUSZPSEMUVSU-RWMBFGLXSA-N 2 2 242.363 0.600 20 0 BCADLP CC[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)CCO1 ZINC000623838414 371120898 /nfs/dbraw/zinc/12/08/98/371120898.db2.gz UJEUSZPSEMUVSU-RWMBFGLXSA-N 2 2 242.363 0.600 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+]Cc2cc[nH]c2)C1 ZINC000623837594 371121824 /nfs/dbraw/zinc/12/18/24/371121824.db2.gz LPACRALUEFAKEV-NSHDSACASA-N 2 2 209.293 0.171 20 0 BCADLP O[C@H]1CC[N@@H+](CC[NH2+]Cc2cc[nH]c2)C1 ZINC000623837594 371121828 /nfs/dbraw/zinc/12/18/28/371121828.db2.gz LPACRALUEFAKEV-NSHDSACASA-N 2 2 209.293 0.171 20 0 BCADLP Cn1c[nH+]cc1C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000623841474 371122377 /nfs/dbraw/zinc/12/23/77/371122377.db2.gz WHFCZXHFBDRPDM-LBPRGKRZSA-N 2 2 248.330 0.663 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000569095660 326389441 /nfs/dbraw/zinc/38/94/41/326389441.db2.gz VEONNEVHOQREBH-NXEZZACHSA-N 2 2 245.348 0.294 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624102287 371307437 /nfs/dbraw/zinc/30/74/37/371307437.db2.gz RDVOHWMEKHOVSO-GHMZBOCLSA-N 2 2 223.324 0.350 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624102287 371307440 /nfs/dbraw/zinc/30/74/40/371307440.db2.gz RDVOHWMEKHOVSO-GHMZBOCLSA-N 2 2 223.324 0.350 20 0 BCADLP [NH3+][C@H]1CC[C@@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000097092909 181653061 /nfs/dbraw/zinc/65/30/61/181653061.db2.gz VHBAGPUWGCMCNM-MNOVXSKESA-N 2 2 236.319 0.517 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000624219631 371408811 /nfs/dbraw/zinc/40/88/11/371408811.db2.gz ZYAPDPUHENGLGW-AAXDQBDMSA-N 2 2 224.348 0.830 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000624219631 371408815 /nfs/dbraw/zinc/40/88/15/371408815.db2.gz ZYAPDPUHENGLGW-AAXDQBDMSA-N 2 2 224.348 0.830 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000624219633 371409049 /nfs/dbraw/zinc/40/90/49/371409049.db2.gz ZYAPDPUHENGLGW-VCDKRKBESA-N 2 2 224.348 0.830 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000624219633 371409052 /nfs/dbraw/zinc/40/90/52/371409052.db2.gz ZYAPDPUHENGLGW-VCDKRKBESA-N 2 2 224.348 0.830 20 0 BCADLP C[C@@H](CC1CC1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624228525 371417009 /nfs/dbraw/zinc/41/70/09/371417009.db2.gz UYUAQOSGISYCEJ-CMPLNLGQSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@@H](CC1CC1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624228525 371417016 /nfs/dbraw/zinc/41/70/16/371417016.db2.gz UYUAQOSGISYCEJ-CMPLNLGQSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)[C@H]1CCOC1 ZINC000624228588 371417326 /nfs/dbraw/zinc/41/73/26/371417326.db2.gz WGELKLYGHXEOJL-GRYCIOLGSA-N 2 2 228.336 0.068 20 0 BCADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)[C@H]1CCOC1 ZINC000624228588 371417332 /nfs/dbraw/zinc/41/73/32/371417332.db2.gz WGELKLYGHXEOJL-GRYCIOLGSA-N 2 2 228.336 0.068 20 0 BCADLP CC[C@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624230743 371418636 /nfs/dbraw/zinc/41/86/36/371418636.db2.gz FTANRMSSLHKKLF-TUAOUCFPSA-N 2 2 212.337 0.831 20 0 BCADLP CC[C@H]1CC[C@@H]1[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624230743 371418641 /nfs/dbraw/zinc/41/86/41/371418641.db2.gz FTANRMSSLHKKLF-TUAOUCFPSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)[C@H]1C ZINC000624230893 371418826 /nfs/dbraw/zinc/41/88/26/371418826.db2.gz KJVMSAIIEUSWEK-KXNHARMFSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)[C@H]1C ZINC000624230893 371418830 /nfs/dbraw/zinc/41/88/30/371418830.db2.gz KJVMSAIIEUSWEK-KXNHARMFSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)[C@@H]1C ZINC000624230891 371418893 /nfs/dbraw/zinc/41/88/93/371418893.db2.gz KJVMSAIIEUSWEK-DDHJBXDOSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)[C@@H]1C ZINC000624230891 371418897 /nfs/dbraw/zinc/41/88/97/371418897.db2.gz KJVMSAIIEUSWEK-DDHJBXDOSA-N 2 2 212.337 0.687 20 0 BCADLP CCC(CC)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624333422 371485206 /nfs/dbraw/zinc/48/52/06/371485206.db2.gz PUSWOSVLMSHDOM-NSHDSACASA-N 2 2 200.326 0.831 20 0 BCADLP CCC(CC)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624333422 371485211 /nfs/dbraw/zinc/48/52/11/371485211.db2.gz PUSWOSVLMSHDOM-NSHDSACASA-N 2 2 200.326 0.831 20 0 BCADLP C[C@H](CCCCO)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624336205 371486944 /nfs/dbraw/zinc/48/69/44/371486944.db2.gz KWSQPNOTDSYHLI-NEPJUHHUSA-N 2 2 230.352 0.194 20 0 BCADLP C[C@H](CCCCO)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624336205 371486949 /nfs/dbraw/zinc/48/69/49/371486949.db2.gz KWSQPNOTDSYHLI-NEPJUHHUSA-N 2 2 230.352 0.194 20 0 BCADLP CC[C@H](C(=O)N1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000627369460 371589076 /nfs/dbraw/zinc/58/90/76/371589076.db2.gz ULSNBJPBTLKCCP-LLVKDONJSA-N 2 2 236.319 0.635 20 0 BCADLP CC[C@H](C(=O)N1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000627369460 371589082 /nfs/dbraw/zinc/58/90/82/371589082.db2.gz ULSNBJPBTLKCCP-LLVKDONJSA-N 2 2 236.319 0.635 20 0 BCADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H](O)C(F)(F)F ZINC000631716598 372520720 /nfs/dbraw/zinc/52/07/20/372520720.db2.gz CYPPGDVPNJNRDG-IONNQARKSA-N 2 2 240.269 0.982 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000631821761 372596738 /nfs/dbraw/zinc/59/67/38/372596738.db2.gz IGUWITGHZZPJDL-QWRGUYRKSA-N 2 2 235.335 0.449 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000631821761 372596741 /nfs/dbraw/zinc/59/67/41/372596741.db2.gz IGUWITGHZZPJDL-QWRGUYRKSA-N 2 2 235.335 0.449 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000631822325 372599272 /nfs/dbraw/zinc/59/92/72/372599272.db2.gz ZMHFUPNQOCKALA-ZJUUUORDSA-N 2 2 221.308 0.189 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000631822325 372599280 /nfs/dbraw/zinc/59/92/80/372599280.db2.gz ZMHFUPNQOCKALA-ZJUUUORDSA-N 2 2 221.308 0.189 20 0 BCADLP CC[N@H+](CC[NH3+])C[C@@H]1CCc2ncnn21 ZINC000631830036 372613457 /nfs/dbraw/zinc/61/34/57/372613457.db2.gz HWDFUEXYZJQMBT-VIFPVBQESA-N 2 2 209.297 0.046 20 0 BCADLP CC[N@@H+](CC[NH3+])C[C@@H]1CCc2ncnn21 ZINC000631830036 372613464 /nfs/dbraw/zinc/61/34/64/372613464.db2.gz HWDFUEXYZJQMBT-VIFPVBQESA-N 2 2 209.297 0.046 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631835778 372622696 /nfs/dbraw/zinc/62/26/96/372622696.db2.gz XIBQPZIDGURFAG-QWRGUYRKSA-N 2 2 227.352 0.666 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631835778 372622703 /nfs/dbraw/zinc/62/27/03/372622703.db2.gz XIBQPZIDGURFAG-QWRGUYRKSA-N 2 2 227.352 0.666 20 0 BCADLP CCCCNC(=O)CC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631860547 372659806 /nfs/dbraw/zinc/65/98/06/372659806.db2.gz KVTHWBYQGPRUMA-WDEREUQCSA-N 2 2 227.352 0.714 20 0 BCADLP CCCCNC(=O)CC[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631860547 372659812 /nfs/dbraw/zinc/65/98/12/372659812.db2.gz KVTHWBYQGPRUMA-WDEREUQCSA-N 2 2 227.352 0.714 20 0 BCADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)Nc2ccccn2)C1 ZINC000631825753 372604266 /nfs/dbraw/zinc/60/42/66/372604266.db2.gz SLSWXROPVQTFRE-CYBMUJFWSA-N 2 2 248.330 0.691 20 0 BCADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2ccccn2)C1 ZINC000631825753 372604269 /nfs/dbraw/zinc/60/42/69/372604269.db2.gz SLSWXROPVQTFRE-CYBMUJFWSA-N 2 2 248.330 0.691 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000631861503 372662106 /nfs/dbraw/zinc/66/21/06/372662106.db2.gz CQNJCMKDIJSHTC-BBBLOLIVSA-N 2 2 221.308 0.187 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000631861503 372662109 /nfs/dbraw/zinc/66/21/09/372662109.db2.gz CQNJCMKDIJSHTC-BBBLOLIVSA-N 2 2 221.308 0.187 20 0 BCADLP COC[C@H](C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)OC ZINC000631866901 372667917 /nfs/dbraw/zinc/66/79/17/372667917.db2.gz BZAOIQHQIIGYIC-WOPDTQHZSA-N 2 2 228.336 0.380 20 0 BCADLP c1ncn(CC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)n1 ZINC000631888827 372681213 /nfs/dbraw/zinc/68/12/13/372681213.db2.gz BPVHSQUEDRFVQQ-RYUDHWBXSA-N 2 2 235.335 0.352 20 0 BCADLP c1ncn(CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)n1 ZINC000631888827 372681216 /nfs/dbraw/zinc/68/12/16/372681216.db2.gz BPVHSQUEDRFVQQ-RYUDHWBXSA-N 2 2 235.335 0.352 20 0 BCADLP CCCNC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631885947 372682291 /nfs/dbraw/zinc/68/22/91/372682291.db2.gz FICKSTGYOFAJFU-NEPJUHHUSA-N 2 2 239.363 0.587 20 0 BCADLP CCCNC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631885947 372682296 /nfs/dbraw/zinc/68/22/96/372682296.db2.gz FICKSTGYOFAJFU-NEPJUHHUSA-N 2 2 239.363 0.587 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631889394 372684934 /nfs/dbraw/zinc/68/49/34/372684934.db2.gz FJLMTPLNUHYEBT-QWRGUYRKSA-N 2 2 225.336 0.149 20 0 BCADLP CN(C)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631889394 372684945 /nfs/dbraw/zinc/68/49/45/372684945.db2.gz FJLMTPLNUHYEBT-QWRGUYRKSA-N 2 2 225.336 0.149 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631891069 372686049 /nfs/dbraw/zinc/68/60/49/372686049.db2.gz VUYBRZWKMAAZRC-AGIUHOORSA-N 3 2 239.363 0.049 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631891069 372686055 /nfs/dbraw/zinc/68/60/55/372686055.db2.gz VUYBRZWKMAAZRC-AGIUHOORSA-N 3 2 239.363 0.049 20 0 BCADLP O=C(C[C@@H]1CCC[NH2+]1)NCCCn1cc[nH+]c1 ZINC000042165922 182017404 /nfs/dbraw/zinc/01/74/04/182017404.db2.gz RORGBNKNULWUKQ-NSHDSACASA-N 2 2 236.319 0.532 20 0 BCADLP Cc1cc(NC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cc[nH+]1 ZINC000632927469 373223794 /nfs/dbraw/zinc/22/37/94/373223794.db2.gz KNRJQZRVSZVVNF-UWVGGRQHSA-N 2 2 234.303 0.765 20 0 BCADLP Cc1cc(NC(=O)N2C[C@H]([NH3+])C[C@H]2C)cc[nH+]1 ZINC000632927468 373224125 /nfs/dbraw/zinc/22/41/25/373224125.db2.gz KNRJQZRVSZVVNF-NXEZZACHSA-N 2 2 234.303 0.765 20 0 BCADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1CSC[NH2+]1 ZINC000020506384 182178798 /nfs/dbraw/zinc/17/87/98/182178798.db2.gz ZKBCJLFVLADXAZ-VIFPVBQESA-N 2 2 240.332 0.052 20 0 BCADLP O=C(NCC[NH+]1CCC1)[C@H]1CCCc2[nH+]ccn21 ZINC000355353214 182185344 /nfs/dbraw/zinc/18/53/44/182185344.db2.gz GGAKYOAQMRTBNT-LLVKDONJSA-N 2 2 248.330 0.582 20 0 BCADLP O=C(NCc1cn2ccccc2[nH+]1)[C@@H]1CC[NH2+]C1 ZINC000269229293 182268980 /nfs/dbraw/zinc/26/89/80/182268980.db2.gz GXDRNPACPTXYKB-SNVBAGLBSA-N 2 2 244.298 0.560 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)C12CCC[NH+]1CCC2 ZINC000280743448 182272161 /nfs/dbraw/zinc/27/21/61/182272161.db2.gz JTVKHGQLFKJFAB-UHFFFAOYSA-N 2 2 234.303 0.654 20 0 BCADLP COCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449391246 206096336 /nfs/dbraw/zinc/09/63/36/206096336.db2.gz XSPOOWMDTCZVOV-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP COCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449391246 206096342 /nfs/dbraw/zinc/09/63/42/206096342.db2.gz XSPOOWMDTCZVOV-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP O=C(N[C@H]1CCC[NH2+]C1)c1ccc2[nH+]ccn2c1 ZINC000178392719 182329592 /nfs/dbraw/zinc/32/95/92/182329592.db2.gz UPPDOYXZOORHFO-NSHDSACASA-N 2 2 244.298 0.816 20 0 BCADLP O=c1nc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)[nH][nH]1 ZINC000271206286 183009717 /nfs/dbraw/zinc/00/97/17/183009717.db2.gz SFHLMNZTAZMROQ-UHFFFAOYSA-N 2 2 248.290 0.201 20 0 BCADLP OCCCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000304359670 183051361 /nfs/dbraw/zinc/05/13/61/183051361.db2.gz XPHIZDUJGSLKSO-ZDUSSCGKSA-N 2 2 242.363 0.413 20 0 BCADLP OCCCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000304359670 183051363 /nfs/dbraw/zinc/05/13/63/183051363.db2.gz XPHIZDUJGSLKSO-ZDUSSCGKSA-N 2 2 242.363 0.413 20 0 BCADLP OC[C@@H]([NH2+]CCn1cc[nH+]c1)C1CCOCC1 ZINC000359873694 183107903 /nfs/dbraw/zinc/10/79/03/183107903.db2.gz KOBPHGFHLAYRRH-GFCCVEGCSA-N 2 2 239.319 0.260 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220956463 134315195 /nfs/dbraw/zinc/31/51/95/134315195.db2.gz VHXQEZBMLBCMGJ-OUAUKWLOSA-N 2 2 225.336 0.276 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220956463 134315196 /nfs/dbraw/zinc/31/51/96/134315196.db2.gz VHXQEZBMLBCMGJ-OUAUKWLOSA-N 2 2 225.336 0.276 20 0 BCADLP C[C@H](C(N)=O)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220956463 134315197 /nfs/dbraw/zinc/31/51/97/134315197.db2.gz VHXQEZBMLBCMGJ-OUAUKWLOSA-N 2 2 225.336 0.276 20 0 BCADLP C[C@H](C(N)=O)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220956463 134315198 /nfs/dbraw/zinc/31/51/98/134315198.db2.gz VHXQEZBMLBCMGJ-OUAUKWLOSA-N 2 2 225.336 0.276 20 0 BCADLP c1c[nH+]c(CN2CC[N@@H+]3CCC[C@@H]3C2)[nH]1 ZINC000171930647 183325742 /nfs/dbraw/zinc/32/57/42/183325742.db2.gz VHPZZQWKLZDXSR-SNVBAGLBSA-N 2 2 206.293 0.690 20 0 BCADLP c1c[nH+]c(CN2CC[N@H+]3CCC[C@@H]3C2)[nH]1 ZINC000171930647 183325747 /nfs/dbraw/zinc/32/57/47/183325747.db2.gz VHPZZQWKLZDXSR-SNVBAGLBSA-N 2 2 206.293 0.690 20 0 BCADLP c1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)on1 ZINC000335913529 183346207 /nfs/dbraw/zinc/34/62/07/183346207.db2.gz GPYCOOKOJWBJDL-GXSJLCMTSA-N 2 2 207.277 0.858 20 0 BCADLP c1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)on1 ZINC000335913529 183346209 /nfs/dbraw/zinc/34/62/09/183346209.db2.gz GPYCOOKOJWBJDL-GXSJLCMTSA-N 2 2 207.277 0.858 20 0 BCADLP c1cc(C[NH2+]C[C@H]2C[NH2+]CCO2)cs1 ZINC000063147411 183351960 /nfs/dbraw/zinc/35/19/60/183351960.db2.gz JZDLALBHFMCXPJ-SNVBAGLBSA-N 2 2 212.318 0.826 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366557477 169222262 /nfs/dbraw/zinc/22/22/62/169222262.db2.gz JCASGKRIWVDERP-CYBMUJFWSA-N 2 2 239.363 0.540 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366557477 169222264 /nfs/dbraw/zinc/22/22/64/169222264.db2.gz JCASGKRIWVDERP-CYBMUJFWSA-N 2 2 239.363 0.540 20 0 BCADLP CCCNC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366557477 169222265 /nfs/dbraw/zinc/22/22/65/169222265.db2.gz JCASGKRIWVDERP-CYBMUJFWSA-N 2 2 239.363 0.540 20 0 BCADLP CCCNC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366557477 169222267 /nfs/dbraw/zinc/22/22/67/169222267.db2.gz JCASGKRIWVDERP-CYBMUJFWSA-N 2 2 239.363 0.540 20 0 BCADLP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000070799974 169245922 /nfs/dbraw/zinc/24/59/22/169245922.db2.gz BMJHURHQBBDPRX-WDEREUQCSA-N 2 2 227.352 0.442 20 0 BCADLP CCCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000070799974 169245923 /nfs/dbraw/zinc/24/59/23/169245923.db2.gz BMJHURHQBBDPRX-WDEREUQCSA-N 2 2 227.352 0.442 20 0 BCADLP CCC[C@@H]([NH3+])C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000036999446 169390339 /nfs/dbraw/zinc/39/03/39/169390339.db2.gz DXILIYGNMSSOHU-NXEZZACHSA-N 2 2 224.308 0.515 20 0 BCADLP COC[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000223968825 134343825 /nfs/dbraw/zinc/34/38/25/134343825.db2.gz GSNHCJQMVRARRD-GRYCIOLGSA-N 2 2 242.363 0.599 20 0 BCADLP COC[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000223968825 134343826 /nfs/dbraw/zinc/34/38/26/134343826.db2.gz GSNHCJQMVRARRD-GRYCIOLGSA-N 2 2 242.363 0.599 20 0 BCADLP CCC[C@H]([NH3+])C(=O)N(C)Cc1[nH+]ccn1C ZINC000037823015 169500515 /nfs/dbraw/zinc/50/05/15/169500515.db2.gz NULNQDVBRDLWOD-VIFPVBQESA-N 2 2 224.308 0.506 20 0 BCADLP CO[C@@H](C[NH2+]CCc1cn(C)c[nH+]1)C1CC1 ZINC000400178093 383824871 /nfs/dbraw/zinc/82/48/71/383824871.db2.gz NTZOLEHSGJVUEM-LBPRGKRZSA-N 2 2 223.320 0.977 20 0 BCADLP CC(C)[C@@H](NC(=O)CCC[NH3+])c1[nH]cc[nH+]1 ZINC000566193706 383824947 /nfs/dbraw/zinc/82/49/47/383824947.db2.gz IWZIFPMGEPIRHL-SNVBAGLBSA-N 2 2 224.308 0.962 20 0 BCADLP C[NH+](C)[C@@H]1CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000111248381 383848323 /nfs/dbraw/zinc/84/83/23/383848323.db2.gz OGFOXAMIDFEIAZ-SNVBAGLBSA-N 2 2 208.309 0.936 20 0 BCADLP COC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000069627115 383832614 /nfs/dbraw/zinc/83/26/14/383832614.db2.gz XRQCKMKAKUPBFM-IUCAKERBSA-N 2 2 200.282 0.219 20 0 BCADLP COC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000069627115 383832628 /nfs/dbraw/zinc/83/26/28/383832628.db2.gz XRQCKMKAKUPBFM-IUCAKERBSA-N 2 2 200.282 0.219 20 0 BCADLP CC(C)C[C@@H](C[NH3+])NC(=O)CCn1cc[nH+]c1 ZINC000111829084 383884772 /nfs/dbraw/zinc/88/47/72/383884772.db2.gz BKGOQKBOUIGYQO-NSHDSACASA-N 2 2 238.335 0.763 20 0 BCADLP c1cncc(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000334735127 383901775 /nfs/dbraw/zinc/90/17/75/383901775.db2.gz MIHSQLVIIGEVNK-OLZOCXBDSA-N 2 2 217.316 0.918 20 0 BCADLP c1cncc(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000334735127 383901791 /nfs/dbraw/zinc/90/17/91/383901791.db2.gz MIHSQLVIIGEVNK-OLZOCXBDSA-N 2 2 217.316 0.918 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cn1 ZINC000113515307 383990816 /nfs/dbraw/zinc/99/08/16/383990816.db2.gz AIPXKKLUVCOPGI-NSHDSACASA-N 2 2 222.336 0.804 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cn1 ZINC000113515307 383990825 /nfs/dbraw/zinc/99/08/25/383990825.db2.gz AIPXKKLUVCOPGI-NSHDSACASA-N 2 2 222.336 0.804 20 0 BCADLP C[N@H+](CCOCC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000070896399 383956845 /nfs/dbraw/zinc/95/68/45/383956845.db2.gz KNTPTBFKFAZFRN-QMMMGPOBSA-N 2 2 226.242 0.859 20 0 BCADLP C[N@@H+](CCOCC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000070896399 383956852 /nfs/dbraw/zinc/95/68/52/383956852.db2.gz KNTPTBFKFAZFRN-QMMMGPOBSA-N 2 2 226.242 0.859 20 0 BCADLP CC(C)[C@@H]([NH3+])C(=O)NCc1[nH+]ccn1C ZINC000070854853 383957732 /nfs/dbraw/zinc/95/77/32/383957732.db2.gz PZIWGNHTTAMVRB-SECBINFHSA-N 2 2 210.281 0.020 20 0 BCADLP CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000313159152 383973291 /nfs/dbraw/zinc/97/32/91/383973291.db2.gz OXYZPSMLVBYIAF-RNJOBUHISA-N 2 2 244.379 0.893 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC1(C)C)C1CC1 ZINC000558460076 384022364 /nfs/dbraw/zinc/02/23/64/384022364.db2.gz WXJRZJHGJCENIO-LLVKDONJSA-N 2 2 212.337 0.926 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC1(C)C)C1CC1 ZINC000558460076 384022373 /nfs/dbraw/zinc/02/23/73/384022373.db2.gz WXJRZJHGJCENIO-LLVKDONJSA-N 2 2 212.337 0.926 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC1(C)C)C1CC1 ZINC000558460076 384022380 /nfs/dbraw/zinc/02/23/80/384022380.db2.gz WXJRZJHGJCENIO-LLVKDONJSA-N 2 2 212.337 0.926 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC1(C)C)C1CC1 ZINC000558460076 384022391 /nfs/dbraw/zinc/02/23/91/384022391.db2.gz WXJRZJHGJCENIO-LLVKDONJSA-N 2 2 212.337 0.926 20 0 BCADLP C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000309652738 384056952 /nfs/dbraw/zinc/05/69/52/384056952.db2.gz UFEHCCWATXODFT-NSHDSACASA-N 3 2 211.353 0.670 20 0 BCADLP C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000309652738 384056959 /nfs/dbraw/zinc/05/69/59/384056959.db2.gz UFEHCCWATXODFT-NSHDSACASA-N 3 2 211.353 0.670 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000565479330 384097480 /nfs/dbraw/zinc/09/74/80/384097480.db2.gz VPSLXOZDLRUURY-GHMZBOCLSA-N 2 2 238.335 0.715 20 0 BCADLP CC[N@H+](CCCn1cc[nH+]c1)CC(=O)OC ZINC000050066224 384103970 /nfs/dbraw/zinc/10/39/70/384103970.db2.gz YPTQHNGJXQJKDD-UHFFFAOYSA-N 2 2 225.292 0.768 20 0 BCADLP CC[N@@H+](CCCn1cc[nH+]c1)CC(=O)OC ZINC000050066224 384103979 /nfs/dbraw/zinc/10/39/79/384103979.db2.gz YPTQHNGJXQJKDD-UHFFFAOYSA-N 2 2 225.292 0.768 20 0 BCADLP CC[N@H+](CCn1cc[nH+]c1C)CC(=O)OC ZINC000050066227 384105184 /nfs/dbraw/zinc/10/51/84/384105184.db2.gz WZGDUQUBIPRPBR-UHFFFAOYSA-N 2 2 225.292 0.686 20 0 BCADLP CC[N@@H+](CCn1cc[nH+]c1C)CC(=O)OC ZINC000050066227 384105189 /nfs/dbraw/zinc/10/51/89/384105189.db2.gz WZGDUQUBIPRPBR-UHFFFAOYSA-N 2 2 225.292 0.686 20 0 BCADLP CC(C)[C@@H]([NH3+])c1cn(CCn2cc[nH+]c2)nn1 ZINC000302253181 384118806 /nfs/dbraw/zinc/11/88/06/384118806.db2.gz AMRFTBZLLHSWAK-LLVKDONJSA-N 2 2 234.307 0.831 20 0 BCADLP COC[C@](C)(O)CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000449386142 384136625 /nfs/dbraw/zinc/13/66/25/384136625.db2.gz SPRLXDRJJPUMCM-QJPTWQEYSA-N 2 2 230.352 0.314 20 0 BCADLP COC[C@](C)(O)CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000449386142 384136629 /nfs/dbraw/zinc/13/66/29/384136629.db2.gz SPRLXDRJJPUMCM-QJPTWQEYSA-N 2 2 230.352 0.314 20 0 BCADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCCNC(=O)C2)c1 ZINC000313247895 384148629 /nfs/dbraw/zinc/14/86/29/384148629.db2.gz ALCSPMIJGGTOQQ-JTQLQIEISA-N 2 2 236.319 0.221 20 0 BCADLP COC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449397734 384175127 /nfs/dbraw/zinc/17/51/27/384175127.db2.gz VYROPXMPTSAOPR-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP COC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449397734 384175131 /nfs/dbraw/zinc/17/51/31/384175131.db2.gz VYROPXMPTSAOPR-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC1 ZINC000449395772 384166718 /nfs/dbraw/zinc/16/67/18/384166718.db2.gz QVAOCTOPAMUJOD-VXGBXAGGSA-N 2 2 228.336 0.212 20 0 BCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC1 ZINC000449395772 384166723 /nfs/dbraw/zinc/16/67/23/384166723.db2.gz QVAOCTOPAMUJOD-VXGBXAGGSA-N 2 2 228.336 0.212 20 0 BCADLP Cn1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])nn1 ZINC000236103628 384182050 /nfs/dbraw/zinc/18/20/50/384182050.db2.gz RCHQJHFZXJDFHF-NSHDSACASA-N 2 2 223.324 0.518 20 0 BCADLP Cn1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])nn1 ZINC000236103628 384182056 /nfs/dbraw/zinc/18/20/56/384182056.db2.gz RCHQJHFZXJDFHF-NSHDSACASA-N 2 2 223.324 0.518 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000163232458 384184465 /nfs/dbraw/zinc/18/44/65/384184465.db2.gz TYRFRKZFKVYPGB-RKDXNWHRSA-N 2 2 236.323 0.177 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000163232458 384184472 /nfs/dbraw/zinc/18/44/72/384184472.db2.gz TYRFRKZFKVYPGB-RKDXNWHRSA-N 2 2 236.323 0.177 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336599572 384206458 /nfs/dbraw/zinc/20/64/58/384206458.db2.gz PJVJKXVOIMNZFO-AAEUAGOBSA-N 2 2 239.363 0.491 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336599572 384206462 /nfs/dbraw/zinc/20/64/62/384206462.db2.gz PJVJKXVOIMNZFO-AAEUAGOBSA-N 2 2 239.363 0.491 20 0 BCADLP C[C@@H](C(=O)N(C)C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336599572 384206465 /nfs/dbraw/zinc/20/64/65/384206465.db2.gz PJVJKXVOIMNZFO-AAEUAGOBSA-N 2 2 239.363 0.491 20 0 BCADLP C[C@@H](C(=O)N(C)C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336599572 384206470 /nfs/dbraw/zinc/20/64/70/384206470.db2.gz PJVJKXVOIMNZFO-AAEUAGOBSA-N 2 2 239.363 0.491 20 0 BCADLP Cn1c[nH+]cc1C[NH2+]CC(=O)NC(C)(C)C ZINC000112340277 384217068 /nfs/dbraw/zinc/21/70/68/384217068.db2.gz UXBRODRIJBZAFB-UHFFFAOYSA-N 2 2 224.308 0.424 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000174222844 384311493 /nfs/dbraw/zinc/31/14/93/384311493.db2.gz JCTQSQGBZIRRDF-GFCCVEGCSA-N 2 2 241.379 0.786 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000174222844 384311497 /nfs/dbraw/zinc/31/14/97/384311497.db2.gz JCTQSQGBZIRRDF-GFCCVEGCSA-N 2 2 241.379 0.786 20 0 BCADLP Cc1nc(N)nc(NC2CC[NH+](C)CC2)[nH+]1 ZINC000304461512 384322686 /nfs/dbraw/zinc/32/26/86/384322686.db2.gz MHZVVSGUDUNMMB-UHFFFAOYSA-N 2 2 222.296 0.268 20 0 BCADLP C[NH+](C)CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159029642 384296876 /nfs/dbraw/zinc/29/68/76/384296876.db2.gz NJOVUHOHFLFAPX-LLVKDONJSA-N 2 2 248.330 0.338 20 0 BCADLP C[N@@H+](Cc1cnccn1)C[C@@H]1CC[NH2+]C1 ZINC000095071300 384341912 /nfs/dbraw/zinc/34/19/12/384341912.db2.gz LUMFHYBXNFDBCO-SNVBAGLBSA-N 2 2 206.293 0.518 20 0 BCADLP C[N@H+](Cc1cnccn1)C[C@@H]1CC[NH2+]C1 ZINC000095071300 384341921 /nfs/dbraw/zinc/34/19/21/384341921.db2.gz LUMFHYBXNFDBCO-SNVBAGLBSA-N 2 2 206.293 0.518 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000120262493 384344750 /nfs/dbraw/zinc/34/47/50/384344750.db2.gz VWZVIOPCTCOETD-LLVKDONJSA-N 2 2 209.293 0.994 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000120262493 384344755 /nfs/dbraw/zinc/34/47/55/384344755.db2.gz VWZVIOPCTCOETD-LLVKDONJSA-N 2 2 209.293 0.994 20 0 BCADLP C[C@H]([NH3+])C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000083935019 384348214 /nfs/dbraw/zinc/34/82/14/384348214.db2.gz LCCYZQSUSDFXBS-QMMMGPOBSA-N 2 2 222.292 0.183 20 0 BCADLP C[C@@H]([NH3+])C(=O)NCc1ccc[nH+]c1N(C)C ZINC000083928454 384349051 /nfs/dbraw/zinc/34/90/51/384349051.db2.gz UHBYBEKSRRTRBP-MRVPVSSYSA-N 2 2 222.292 0.111 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000335644629 384414388 /nfs/dbraw/zinc/41/43/88/384414388.db2.gz UNLKIAGJJVICRW-MWLCHTKSSA-N 2 2 208.309 0.650 20 0 BCADLP C[NH2+]Cc1noc(C2CCC([NH3+])CC2)n1 ZINC000647172824 384427060 /nfs/dbraw/zinc/42/70/60/384427060.db2.gz KKFMVUZLHMFUAC-UHFFFAOYSA-N 2 2 210.281 0.774 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](C(C)C)C1COC1 ZINC000566425957 384446787 /nfs/dbraw/zinc/44/67/87/384446787.db2.gz JOSXHPUVFRPFEG-LBPRGKRZSA-N 2 2 230.352 0.408 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C(C)C)C1COC1 ZINC000566425957 384446790 /nfs/dbraw/zinc/44/67/90/384446790.db2.gz JOSXHPUVFRPFEG-LBPRGKRZSA-N 2 2 230.352 0.408 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](C(C)C)C1COC1 ZINC000566425957 384446794 /nfs/dbraw/zinc/44/67/94/384446794.db2.gz JOSXHPUVFRPFEG-LBPRGKRZSA-N 2 2 230.352 0.408 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C(C)C)C1COC1 ZINC000566425957 384446796 /nfs/dbraw/zinc/44/67/96/384446796.db2.gz JOSXHPUVFRPFEG-LBPRGKRZSA-N 2 2 230.352 0.408 20 0 BCADLP CC[C@@H]([NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000036871552 384461496 /nfs/dbraw/zinc/46/14/96/384461496.db2.gz VMVMEKMORAWEMF-SECBINFHSA-N 2 2 210.281 0.127 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c[nH+]1 ZINC000335013229 384475154 /nfs/dbraw/zinc/47/51/54/384475154.db2.gz APFSWGNIXCQTTE-IUCAKERBSA-N 2 2 222.292 0.718 20 0 BCADLP COC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397343504 384534072 /nfs/dbraw/zinc/53/40/72/384534072.db2.gz WVVZAQYKXPNVKZ-UTLUCORTSA-N 2 2 214.309 0.465 20 0 BCADLP COC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397343504 384534075 /nfs/dbraw/zinc/53/40/75/384534075.db2.gz WVVZAQYKXPNVKZ-UTLUCORTSA-N 2 2 214.309 0.465 20 0 BCADLP C([C@@H]1CCC[NH2+]C1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000085540455 384532989 /nfs/dbraw/zinc/53/29/89/384532989.db2.gz KVLFVRJHNHTVQZ-UTUOFQBUSA-N 2 2 210.321 0.849 20 0 BCADLP C([C@@H]1CCC[NH2+]C1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000085540455 384532993 /nfs/dbraw/zinc/53/29/93/384532993.db2.gz KVLFVRJHNHTVQZ-UTUOFQBUSA-N 2 2 210.321 0.849 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@H](C[NH+](C)C)C1 ZINC000172195998 384547717 /nfs/dbraw/zinc/54/77/17/384547717.db2.gz LYCZKAJDCVYXMH-LLVKDONJSA-N 2 2 222.336 0.804 20 0 BCADLP FC(F)COCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428032295 384557585 /nfs/dbraw/zinc/55/75/85/384557585.db2.gz JOPIHCABQUTRIC-NXEZZACHSA-N 2 2 234.290 0.952 20 0 BCADLP FC(F)COCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428032295 384557589 /nfs/dbraw/zinc/55/75/89/384557589.db2.gz JOPIHCABQUTRIC-NXEZZACHSA-N 2 2 234.290 0.952 20 0 BCADLP CC(C)[C@H]([NH3+])c1cn(Cc2[nH+]ccn2C)nn1 ZINC000305970268 384558459 /nfs/dbraw/zinc/55/84/59/384558459.db2.gz YPWDELSOCFSGDD-NSHDSACASA-N 2 2 234.307 0.716 20 0 BCADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CCCC1 ZINC000306075454 384539883 /nfs/dbraw/zinc/53/98/83/384539883.db2.gz FTZNECKVKBPJEG-CYBMUJFWSA-N 2 2 237.347 0.294 20 0 BCADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CCCC1 ZINC000306075454 384539886 /nfs/dbraw/zinc/53/98/86/384539886.db2.gz FTZNECKVKBPJEG-CYBMUJFWSA-N 2 2 237.347 0.294 20 0 BCADLP CC[N@@H+]1CCC[C@H]1CNc1nc(C)[nH+]c(N)n1 ZINC000306098938 384568853 /nfs/dbraw/zinc/56/88/53/384568853.db2.gz ORJFKWFNYFCEQR-VIFPVBQESA-N 2 2 236.323 0.658 20 0 BCADLP CC[N@H+]1CCC[C@H]1CNc1nc(C)[nH+]c(N)n1 ZINC000306098938 384568858 /nfs/dbraw/zinc/56/88/58/384568858.db2.gz ORJFKWFNYFCEQR-VIFPVBQESA-N 2 2 236.323 0.658 20 0 BCADLP CC[N@@H+]1CCC[C@@H]1CNc1nc(C)[nH+]c(N)n1 ZINC000306098936 384568887 /nfs/dbraw/zinc/56/88/87/384568887.db2.gz ORJFKWFNYFCEQR-SECBINFHSA-N 2 2 236.323 0.658 20 0 BCADLP CC[N@H+]1CCC[C@@H]1CNc1nc(C)[nH+]c(N)n1 ZINC000306098936 384568893 /nfs/dbraw/zinc/56/88/93/384568893.db2.gz ORJFKWFNYFCEQR-SECBINFHSA-N 2 2 236.323 0.658 20 0 BCADLP Cc1cnn(CC[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000643065591 384576147 /nfs/dbraw/zinc/57/61/47/384576147.db2.gz CXLOMNSJKODBMO-QWHCGFSZSA-N 2 2 234.347 0.875 20 0 BCADLP Cc1cnn(CC[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000643065591 384576154 /nfs/dbraw/zinc/57/61/54/384576154.db2.gz CXLOMNSJKODBMO-QWHCGFSZSA-N 2 2 234.347 0.875 20 0 BCADLP FC(F)COCC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643066238 384578823 /nfs/dbraw/zinc/57/88/23/384578823.db2.gz LURVDMWUALVRGY-UWVGGRQHSA-N 2 2 234.290 0.952 20 0 BCADLP FC(F)COCC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643066238 384578834 /nfs/dbraw/zinc/57/88/34/384578834.db2.gz LURVDMWUALVRGY-UWVGGRQHSA-N 2 2 234.290 0.952 20 0 BCADLP C[C@H](O)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000647529334 384605224 /nfs/dbraw/zinc/60/52/24/384605224.db2.gz FTSRLHFPPNLSAP-SRVKXCTJSA-N 2 2 230.352 0.192 20 0 BCADLP C[C@H](O)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000647529334 384605231 /nfs/dbraw/zinc/60/52/31/384605231.db2.gz FTSRLHFPPNLSAP-SRVKXCTJSA-N 2 2 230.352 0.192 20 0 BCADLP Cc1cc(N2CCC(C[NH3+])CC2)nc[nH+]1 ZINC000011849442 384622103 /nfs/dbraw/zinc/62/21/03/384622103.db2.gz JSZCWZBMIZENCI-UHFFFAOYSA-N 2 2 206.293 0.960 20 0 BCADLP C[N@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000036870199 384627749 /nfs/dbraw/zinc/62/77/49/384627749.db2.gz AWJZSWZWQACVSW-WDEREUQCSA-N 2 2 246.376 0.105 20 0 BCADLP C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000036870199 384627756 /nfs/dbraw/zinc/62/77/56/384627756.db2.gz AWJZSWZWQACVSW-WDEREUQCSA-N 2 2 246.376 0.105 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124310900 384628533 /nfs/dbraw/zinc/62/85/33/384628533.db2.gz HMPJANOBJCHQAQ-JTQLQIEISA-N 2 2 224.308 0.469 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124310900 384628541 /nfs/dbraw/zinc/62/85/41/384628541.db2.gz HMPJANOBJCHQAQ-JTQLQIEISA-N 2 2 224.308 0.469 20 0 BCADLP CCN(CC[NH3+])C(=O)CCn1cc[nH+]c1 ZINC000300844199 384602327 /nfs/dbraw/zinc/60/23/27/384602327.db2.gz RGSUBAGWKWNCHJ-UHFFFAOYSA-N 2 2 210.281 0.080 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246970407 384645427 /nfs/dbraw/zinc/64/54/27/384645427.db2.gz CLUIEMGUIOHGCJ-GMTAPVOTSA-N 2 2 236.319 0.640 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246970407 384645434 /nfs/dbraw/zinc/64/54/34/384645434.db2.gz CLUIEMGUIOHGCJ-GMTAPVOTSA-N 2 2 236.319 0.640 20 0 BCADLP C[N@H+]1CC=C(C[NH2+]Cc2csnn2)CC1 ZINC000271833845 384648206 /nfs/dbraw/zinc/64/82/06/384648206.db2.gz FJFBKURVXPKTTO-UHFFFAOYSA-N 2 2 224.333 0.890 20 0 BCADLP C[N@@H+]1CC=C(C[NH2+]Cc2csnn2)CC1 ZINC000271833845 384648214 /nfs/dbraw/zinc/64/82/14/384648214.db2.gz FJFBKURVXPKTTO-UHFFFAOYSA-N 2 2 224.333 0.890 20 0 BCADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ncc[nH]2)C1 ZINC000044532678 384659287 /nfs/dbraw/zinc/65/92/87/384659287.db2.gz OEHUUIXMBGHJIF-SNVBAGLBSA-N 2 2 208.309 0.841 20 0 BCADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ncc[nH]2)C1 ZINC000044532678 384659293 /nfs/dbraw/zinc/65/92/93/384659293.db2.gz OEHUUIXMBGHJIF-SNVBAGLBSA-N 2 2 208.309 0.841 20 0 BCADLP CNC(=O)C[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316071356 384723397 /nfs/dbraw/zinc/72/33/97/384723397.db2.gz HOCCZSYDAOKOPR-UTLUCORTSA-N 2 2 213.325 0.180 20 0 BCADLP CNC(=O)C[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316071356 384723403 /nfs/dbraw/zinc/72/34/03/384723403.db2.gz HOCCZSYDAOKOPR-UTLUCORTSA-N 2 2 213.325 0.180 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cncn1C ZINC000082394237 384679250 /nfs/dbraw/zinc/67/92/50/384679250.db2.gz BHUZDXAKIJBOEE-JTQLQIEISA-N 2 2 219.292 0.795 20 0 BCADLP O=C(NCCCNc1cccc[nH+]1)[C@H]1CC[NH2+]1 ZINC000444184251 384683398 /nfs/dbraw/zinc/68/33/98/384683398.db2.gz PHHUFEMNJMYBRZ-SNVBAGLBSA-N 2 2 234.303 0.362 20 0 BCADLP C[C@]1(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC[NH2+]C1 ZINC000647542285 384705939 /nfs/dbraw/zinc/70/59/39/384705939.db2.gz DRFHPAFWENVEOJ-XQQFMLRXSA-N 3 2 223.364 0.670 20 0 BCADLP C[C@]1(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC[NH2+]C1 ZINC000647542285 384705944 /nfs/dbraw/zinc/70/59/44/384705944.db2.gz DRFHPAFWENVEOJ-XQQFMLRXSA-N 3 2 223.364 0.670 20 0 BCADLP C[C@H]1C[N@H+](Cc2cncn2C)CC[C@@H]1[NH3+] ZINC000086884197 384711289 /nfs/dbraw/zinc/71/12/89/384711289.db2.gz KRZXOXFHGNEYSS-ONGXEEELSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@H]1C[N@@H+](Cc2cncn2C)CC[C@@H]1[NH3+] ZINC000086884197 384711293 /nfs/dbraw/zinc/71/12/93/384711293.db2.gz KRZXOXFHGNEYSS-ONGXEEELSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@H]1CN(Cc2c[nH+]cn2C)CC[C@@H]1[NH3+] ZINC000086884197 384711296 /nfs/dbraw/zinc/71/12/96/384711296.db2.gz KRZXOXFHGNEYSS-ONGXEEELSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC000647546576 384734409 /nfs/dbraw/zinc/73/44/09/384734409.db2.gz PYRSJFSICPXPJC-SRVKXCTJSA-N 3 2 211.353 0.574 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000647547185 384736059 /nfs/dbraw/zinc/73/60/59/384736059.db2.gz QEHKQZYMGZCYFP-SDDRHHMPSA-N 3 2 211.353 0.716 20 0 BCADLP COCC[NH2+]CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647547446 384739731 /nfs/dbraw/zinc/73/97/31/384739731.db2.gz WYHKKXCTJCLIRL-JHJVBQTASA-N 3 2 241.379 0.200 20 0 BCADLP [NH3+]CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(F)F ZINC000647547442 384740785 /nfs/dbraw/zinc/74/07/85/384740785.db2.gz WUJKWDMASNELDX-ZDCRXTMVSA-N 3 2 247.333 0.947 20 0 BCADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC000054860824 384742483 /nfs/dbraw/zinc/74/24/83/384742483.db2.gz GALOXMHBBCQKKT-LLVKDONJSA-N 2 2 237.351 0.635 20 0 BCADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC000054860824 384742490 /nfs/dbraw/zinc/74/24/90/384742490.db2.gz GALOXMHBBCQKKT-LLVKDONJSA-N 2 2 237.351 0.635 20 0 BCADLP [NH3+][C@@H]1CCCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000178323730 384747564 /nfs/dbraw/zinc/74/75/64/384747564.db2.gz MRZITRJJNNGLAM-LLVKDONJSA-N 2 2 244.298 0.898 20 0 BCADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H](C)C1)C(=O)N(C)C ZINC000647551522 384753432 /nfs/dbraw/zinc/75/34/32/384753432.db2.gz SQTDGZCODUWCRP-UTLUCORTSA-N 2 2 213.325 0.051 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000082523273 384771078 /nfs/dbraw/zinc/77/10/78/384771078.db2.gz VMVRELFUXMNTBP-JTQLQIEISA-N 2 2 221.260 0.317 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(CO)CC1)C1CC1 ZINC000310081294 384821009 /nfs/dbraw/zinc/82/10/09/384821009.db2.gz DAHDPCSVTXIDBQ-CYBMUJFWSA-N 2 2 242.363 0.146 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(CO)CC1)C1CC1 ZINC000310081294 384821014 /nfs/dbraw/zinc/82/10/14/384821014.db2.gz DAHDPCSVTXIDBQ-CYBMUJFWSA-N 2 2 242.363 0.146 20 0 BCADLP C[N@@H+]1CCN(C[C@H]2CCSC2)[C@@H](C[NH3+])C1 ZINC000300234910 384827170 /nfs/dbraw/zinc/82/71/70/384827170.db2.gz XUUSDPJCDAETBT-MNOVXSKESA-N 2 2 229.393 0.314 20 0 BCADLP C[N@H+]1CCN(C[C@H]2CCSC2)[C@@H](C[NH3+])C1 ZINC000300234910 384827173 /nfs/dbraw/zinc/82/71/73/384827173.db2.gz XUUSDPJCDAETBT-MNOVXSKESA-N 2 2 229.393 0.314 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC(=O)NCC(F)F)CC[N@@H+]1C ZINC000360922057 384786532 /nfs/dbraw/zinc/78/65/32/384786532.db2.gz YSAXHLPHMYABFY-RKDXNWHRSA-N 2 2 249.305 0.440 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC(=O)NCC(F)F)CC[N@H+]1C ZINC000360922057 384786542 /nfs/dbraw/zinc/78/65/42/384786542.db2.gz YSAXHLPHMYABFY-RKDXNWHRSA-N 2 2 249.305 0.440 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000518200694 384790418 /nfs/dbraw/zinc/79/04/18/384790418.db2.gz PDSXHJJUKOORGD-GFCCVEGCSA-N 3 2 240.351 0.175 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000518200694 384790425 /nfs/dbraw/zinc/79/04/25/384790425.db2.gz PDSXHJJUKOORGD-GFCCVEGCSA-N 3 2 240.351 0.175 20 0 BCADLP CC[N@@H+](C[C@@H](C)OC)C[C@H](O)C[NH+](C)C1CC1 ZINC000361557467 384809659 /nfs/dbraw/zinc/80/96/59/384809659.db2.gz AIFSCRIMCZQBAB-DGCLKSJQSA-N 2 2 244.379 0.798 20 0 BCADLP CC[N@H+](C[C@@H](C)OC)C[C@H](O)C[NH+](C)C1CC1 ZINC000361557467 384809666 /nfs/dbraw/zinc/80/96/66/384809666.db2.gz AIFSCRIMCZQBAB-DGCLKSJQSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C[C@@H](C)OC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000361557467 384809668 /nfs/dbraw/zinc/80/96/68/384809668.db2.gz AIFSCRIMCZQBAB-DGCLKSJQSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C[C@@H](C)OC)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000361557467 384809672 /nfs/dbraw/zinc/80/96/72/384809672.db2.gz AIFSCRIMCZQBAB-DGCLKSJQSA-N 2 2 244.379 0.798 20 0 BCADLP CCOCC[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000308620243 384876264 /nfs/dbraw/zinc/87/62/64/384876264.db2.gz SVTCZLZNIUIIIO-WDEREUQCSA-N 2 2 200.326 0.953 20 0 BCADLP CCOCC[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000308620243 384876271 /nfs/dbraw/zinc/87/62/71/384876271.db2.gz SVTCZLZNIUIIIO-WDEREUQCSA-N 2 2 200.326 0.953 20 0 BCADLP CC[N@H+](C)CC[NH2+][C@@H](C)CC(=O)NC ZINC000308628348 384879906 /nfs/dbraw/zinc/87/99/06/384879906.db2.gz XUXVFGXKQBAANT-VIFPVBQESA-N 2 2 201.314 0.052 20 0 BCADLP CC[N@@H+](C)CC[NH2+][C@@H](C)CC(=O)NC ZINC000308628348 384879914 /nfs/dbraw/zinc/87/99/14/384879914.db2.gz XUXVFGXKQBAANT-VIFPVBQESA-N 2 2 201.314 0.052 20 0 BCADLP COc1nccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)n1 ZINC000449288950 384883882 /nfs/dbraw/zinc/88/38/82/384883882.db2.gz PLKSOUZOXFSICY-PHIMTYICSA-N 2 2 248.330 0.479 20 0 BCADLP COc1nccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)n1 ZINC000449288950 384883889 /nfs/dbraw/zinc/88/38/89/384883889.db2.gz PLKSOUZOXFSICY-PHIMTYICSA-N 2 2 248.330 0.479 20 0 BCADLP COc1nccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)n1 ZINC000449288950 384883896 /nfs/dbraw/zinc/88/38/96/384883896.db2.gz PLKSOUZOXFSICY-PHIMTYICSA-N 2 2 248.330 0.479 20 0 BCADLP COc1nccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)n1 ZINC000449288950 384883905 /nfs/dbraw/zinc/88/39/05/384883905.db2.gz PLKSOUZOXFSICY-PHIMTYICSA-N 2 2 248.330 0.479 20 0 BCADLP C[C@H](CCO)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000127212246 384847285 /nfs/dbraw/zinc/84/72/85/384847285.db2.gz HEMLMDNVSACFGD-MXWKQRLJSA-N 2 2 212.337 0.972 20 0 BCADLP C[C@H](CCO)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000127212246 384847290 /nfs/dbraw/zinc/84/72/90/384847290.db2.gz HEMLMDNVSACFGD-MXWKQRLJSA-N 2 2 212.337 0.972 20 0 BCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)O ZINC000644546801 384957165 /nfs/dbraw/zinc/95/71/65/384957165.db2.gz TWWTWRNJHDQNQQ-MNOVXSKESA-N 2 2 216.325 0.068 20 0 BCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)O ZINC000644546801 384957168 /nfs/dbraw/zinc/95/71/68/384957168.db2.gz TWWTWRNJHDQNQQ-MNOVXSKESA-N 2 2 216.325 0.068 20 0 BCADLP COC(=O)N1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000497229030 384898635 /nfs/dbraw/zinc/89/86/35/384898635.db2.gz UATAXIOWLJMVPR-GFCCVEGCSA-N 2 2 241.335 0.370 20 0 BCADLP CC(C)C[C@H]([NH3+])c1noc([C@@H]2C[NH2+]CCO2)n1 ZINC000647129990 384909633 /nfs/dbraw/zinc/90/96/33/384909633.db2.gz USRWMAWSGSGXNS-IUCAKERBSA-N 2 2 240.307 0.776 20 0 BCADLP CC(C)C[C@@H]([NH3+])c1noc([C@@H]2C[NH2+]CCO2)n1 ZINC000647129988 384909867 /nfs/dbraw/zinc/90/98/67/384909867.db2.gz USRWMAWSGSGXNS-BDAKNGLRSA-N 2 2 240.307 0.776 20 0 BCADLP CCOc1ccccc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000310227064 384915609 /nfs/dbraw/zinc/91/56/09/384915609.db2.gz GKPVNNRXMOFHRU-LBPRGKRZSA-N 2 2 238.331 0.837 20 0 BCADLP CCOc1ccccc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000310227064 384915613 /nfs/dbraw/zinc/91/56/13/384915613.db2.gz GKPVNNRXMOFHRU-LBPRGKRZSA-N 2 2 238.331 0.837 20 0 BCADLP FC1(F)CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000259414702 384959791 /nfs/dbraw/zinc/95/97/91/384959791.db2.gz IKCRIZFBYZVJJU-SECBINFHSA-N 2 2 220.263 0.706 20 0 BCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC000258818593 384940683 /nfs/dbraw/zinc/94/06/83/384940683.db2.gz CEFDCDQDTMZKOZ-ZDUSSCGKSA-N 2 2 237.322 0.819 20 0 BCADLP C[C@H]1C[NH2+]CCN1c1cc(NC2CC2)[nH+]cn1 ZINC000258768550 384942746 /nfs/dbraw/zinc/94/27/46/384942746.db2.gz QGCLNCGQVSTUMQ-VIFPVBQESA-N 2 2 233.319 0.849 20 0 BCADLP Cc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)c1 ZINC000258830738 384945641 /nfs/dbraw/zinc/94/56/41/384945641.db2.gz DCDPBXWOCDMMGM-AWEZNQCLSA-N 2 2 233.359 0.988 20 0 BCADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](C)O ZINC000644569413 384966639 /nfs/dbraw/zinc/96/66/39/384966639.db2.gz OFSASFPVSQLOER-MNOVXSKESA-N 2 2 200.326 0.831 20 0 BCADLP C[NH2+]CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC000087472463 384979102 /nfs/dbraw/zinc/97/91/02/384979102.db2.gz XGGPDWAMEUZTLJ-UHFFFAOYSA-N 2 2 224.308 0.341 20 0 BCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NC1CCCC1 ZINC000107578883 384982247 /nfs/dbraw/zinc/98/22/47/384982247.db2.gz LGARYEXFVRUYPM-PHIMTYICSA-N 2 2 237.347 0.196 20 0 BCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NC1CCCC1 ZINC000107578883 384982249 /nfs/dbraw/zinc/98/22/49/384982249.db2.gz LGARYEXFVRUYPM-PHIMTYICSA-N 2 2 237.347 0.196 20 0 BCADLP [NH3+]CCC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000037008435 384986235 /nfs/dbraw/zinc/98/62/35/384986235.db2.gz BKWLSPFUCYNJTN-UHFFFAOYSA-N 2 2 248.330 0.515 20 0 BCADLP CC[C@H]([NH3+])CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000565778477 384988710 /nfs/dbraw/zinc/98/87/10/384988710.db2.gz YVVCNRLIRDLEJI-JTQLQIEISA-N 2 2 246.314 0.730 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000310337599 384994608 /nfs/dbraw/zinc/99/46/08/384994608.db2.gz NENBILQDITWMAM-RYUDHWBXSA-N 2 2 239.363 0.587 20 0 BCADLP CCCCNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000310337599 384994614 /nfs/dbraw/zinc/99/46/14/384994614.db2.gz NENBILQDITWMAM-RYUDHWBXSA-N 2 2 239.363 0.587 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000129356107 384997941 /nfs/dbraw/zinc/99/79/41/384997941.db2.gz WUCOXAJZVHRETG-DTWKUNHWSA-N 2 2 211.309 0.077 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000129356107 384997947 /nfs/dbraw/zinc/99/79/47/384997947.db2.gz WUCOXAJZVHRETG-DTWKUNHWSA-N 2 2 211.309 0.077 20 0 BCADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCCC1 ZINC000335312134 385015358 /nfs/dbraw/zinc/01/53/58/385015358.db2.gz BTPJYJHURLKVMK-RYUDHWBXSA-N 2 2 237.347 0.293 20 0 BCADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCCC1 ZINC000335312134 385015365 /nfs/dbraw/zinc/01/53/65/385015365.db2.gz BTPJYJHURLKVMK-RYUDHWBXSA-N 2 2 237.347 0.293 20 0 BCADLP C[C@@H](O)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000644643351 385050894 /nfs/dbraw/zinc/05/08/94/385050894.db2.gz SYVLWAPENYPVCV-SECBINFHSA-N 2 2 209.293 0.690 20 0 BCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000646917062 385058946 /nfs/dbraw/zinc/05/89/46/385058946.db2.gz WKHLLVBLRHAPJR-JQWIXIFHSA-N 2 2 248.330 0.125 20 0 BCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000646917062 385058958 /nfs/dbraw/zinc/05/89/58/385058958.db2.gz WKHLLVBLRHAPJR-JQWIXIFHSA-N 2 2 248.330 0.125 20 0 BCADLP C[C@H]1CC[N@H+](CC(=O)NCc2[nH]cc[nH+]2)C1 ZINC000557596712 385032571 /nfs/dbraw/zinc/03/25/71/385032571.db2.gz OIXGBPSZUBUKAU-VIFPVBQESA-N 2 2 222.292 0.368 20 0 BCADLP C[C@H]1CC[N@@H+](CC(=O)NCc2[nH]cc[nH+]2)C1 ZINC000557596712 385032574 /nfs/dbraw/zinc/03/25/74/385032574.db2.gz OIXGBPSZUBUKAU-VIFPVBQESA-N 2 2 222.292 0.368 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1CCCC[C@H]1CO)C1CC1 ZINC000310518252 385100652 /nfs/dbraw/zinc/10/06/52/385100652.db2.gz SKNSJOPPIYBTPC-STQMWFEESA-N 2 2 242.363 0.288 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC[C@H]1CO)C1CC1 ZINC000310518252 385100653 /nfs/dbraw/zinc/10/06/53/385100653.db2.gz SKNSJOPPIYBTPC-STQMWFEESA-N 2 2 242.363 0.288 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+]1CCCC[C@H]1CO)C1CC1 ZINC000310518252 385100654 /nfs/dbraw/zinc/10/06/54/385100654.db2.gz SKNSJOPPIYBTPC-STQMWFEESA-N 2 2 242.363 0.288 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+]1CCCC[C@H]1CO)C1CC1 ZINC000310518252 385100655 /nfs/dbraw/zinc/10/06/55/385100655.db2.gz SKNSJOPPIYBTPC-STQMWFEESA-N 2 2 242.363 0.288 20 0 BCADLP Cn1cnnc1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000404841016 385102750 /nfs/dbraw/zinc/10/27/50/385102750.db2.gz NELSMBKLADODNO-SFYZADRCSA-N 2 2 209.297 0.031 20 0 BCADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H](C)O)CC1 ZINC000564857214 385103722 /nfs/dbraw/zinc/10/37/22/385103722.db2.gz QRBVRXCRZHQYAG-NSHDSACASA-N 2 2 244.379 0.846 20 0 BCADLP Cn1c[nH+]cc1Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000404842110 385104579 /nfs/dbraw/zinc/10/45/79/385104579.db2.gz KHHIDORJHUCPQF-SNVBAGLBSA-N 2 2 246.318 0.527 20 0 BCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000162218143 385189342 /nfs/dbraw/zinc/18/93/42/385189342.db2.gz RZYSWQFJONOPTB-SNVBAGLBSA-N 2 2 245.348 0.296 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062891434 385196012 /nfs/dbraw/zinc/19/60/12/385196012.db2.gz OWMDDPWFIOMYIH-CMPLNLGQSA-N 2 2 236.319 0.387 20 0 BCADLP C[C@]1(C(=O)NCCCn2cc[nH+]c2)CC[NH2+]C1 ZINC000062890130 385197467 /nfs/dbraw/zinc/19/74/67/385197467.db2.gz UXILHQQAZXGUND-LBPRGKRZSA-N 2 2 236.319 0.389 20 0 BCADLP CN(CC1CC1)C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359274808 385151815 /nfs/dbraw/zinc/15/18/15/385151815.db2.gz KEGPELMESVAXLV-VXGBXAGGSA-N 2 2 237.347 0.006 20 0 BCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000178206381 385208065 /nfs/dbraw/zinc/20/80/65/385208065.db2.gz MVDHGBRWZCTYNS-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000178206381 385208069 /nfs/dbraw/zinc/20/80/69/385208069.db2.gz MVDHGBRWZCTYNS-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOCC1CC1 ZINC000235136213 385217440 /nfs/dbraw/zinc/21/74/40/385217440.db2.gz QVSAXKZYTDEKMA-AAEUAGOBSA-N 2 2 242.363 0.770 20 0 BCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000252714115 385221658 /nfs/dbraw/zinc/22/16/58/385221658.db2.gz RAIPGGPAACBXRA-VXGBXAGGSA-N 3 2 222.336 0.813 20 0 BCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000252714115 385221666 /nfs/dbraw/zinc/22/16/66/385221666.db2.gz RAIPGGPAACBXRA-VXGBXAGGSA-N 3 2 222.336 0.813 20 0 BCADLP CCOCCOCC[N@H+](C)CCn1cc[nH+]c1 ZINC000190258481 385225667 /nfs/dbraw/zinc/22/56/67/385225667.db2.gz YPLCGYREAMRZFB-UHFFFAOYSA-N 2 2 241.335 0.868 20 0 BCADLP CCOCCOCC[N@@H+](C)CCn1cc[nH+]c1 ZINC000190258481 385225674 /nfs/dbraw/zinc/22/56/74/385225674.db2.gz YPLCGYREAMRZFB-UHFFFAOYSA-N 2 2 241.335 0.868 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NCC2CC2)C1 ZINC000019843101 385255895 /nfs/dbraw/zinc/25/58/95/385255895.db2.gz WOUVCOCRMHSXFN-LLVKDONJSA-N 2 2 225.336 0.183 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000019843101 385255902 /nfs/dbraw/zinc/25/59/02/385255902.db2.gz WOUVCOCRMHSXFN-LLVKDONJSA-N 2 2 225.336 0.183 20 0 BCADLP Cc1cnn(CC[N@@H+]2CCC[NH2+]CC2)c1 ZINC000308958677 385311372 /nfs/dbraw/zinc/31/13/72/385311372.db2.gz ZMUMEUMBFXIUOY-UHFFFAOYSA-N 2 2 208.309 0.487 20 0 BCADLP Cc1cnn(CC[N@H+]2CCC[NH2+]CC2)c1 ZINC000308958677 385311377 /nfs/dbraw/zinc/31/13/77/385311377.db2.gz ZMUMEUMBFXIUOY-UHFFFAOYSA-N 2 2 208.309 0.487 20 0 BCADLP C[C@@H](O)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000308962648 385314411 /nfs/dbraw/zinc/31/44/11/385314411.db2.gz SIFKFCFJMWAUFD-MRVPVSSYSA-N 2 2 229.349 0.675 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316642462 385315210 /nfs/dbraw/zinc/31/52/10/385315210.db2.gz GFHMSSUMMOSPDO-UTUOFQBUSA-N 2 2 241.379 0.959 20 0 BCADLP CC(C)NC(=O)C[N@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316642462 385315214 /nfs/dbraw/zinc/31/52/14/385315214.db2.gz GFHMSSUMMOSPDO-UTUOFQBUSA-N 2 2 241.379 0.959 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1COCC1(C)C ZINC000313063764 385317547 /nfs/dbraw/zinc/31/75/47/385317547.db2.gz KTMHATJZCCJMQF-UTUOFQBUSA-N 2 2 242.363 0.768 20 0 BCADLP C[NH+]1CCC([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000037887372 385320896 /nfs/dbraw/zinc/32/08/96/385320896.db2.gz ANYBVQLMLNVZLW-CYBMUJFWSA-N 3 2 241.379 0.127 20 0 BCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccccn1 ZINC000037889241 385321835 /nfs/dbraw/zinc/32/18/35/385321835.db2.gz ISDMZJWHMJCZGF-GHMZBOCLSA-N 2 2 223.320 0.655 20 0 BCADLP COC[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)OC ZINC000308904084 385276315 /nfs/dbraw/zinc/27/63/15/385276315.db2.gz CBPFIWVYMCXVSH-GARJFASQSA-N 2 2 216.325 0.188 20 0 BCADLP COC[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)OC ZINC000308904084 385276323 /nfs/dbraw/zinc/27/63/23/385276323.db2.gz CBPFIWVYMCXVSH-GARJFASQSA-N 2 2 216.325 0.188 20 0 BCADLP COC[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@H]1C)OC ZINC000308904089 385276868 /nfs/dbraw/zinc/27/68/68/385276868.db2.gz CBPFIWVYMCXVSH-VWYCJHECSA-N 2 2 216.325 0.188 20 0 BCADLP COC[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)OC ZINC000308904089 385276872 /nfs/dbraw/zinc/27/68/72/385276872.db2.gz CBPFIWVYMCXVSH-VWYCJHECSA-N 2 2 216.325 0.188 20 0 BCADLP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)nn1C ZINC000647490304 385281773 /nfs/dbraw/zinc/28/17/73/385281773.db2.gz LPQROUARAFALST-SNVBAGLBSA-N 2 2 208.309 0.509 20 0 BCADLP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)nn1C ZINC000647490304 385281779 /nfs/dbraw/zinc/28/17/79/385281779.db2.gz LPQROUARAFALST-SNVBAGLBSA-N 2 2 208.309 0.509 20 0 BCADLP COC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)C1CC1 ZINC000308928481 385290109 /nfs/dbraw/zinc/29/01/09/385290109.db2.gz IYEYFGUVBNCFDD-USWWRNFRSA-N 2 2 212.337 0.951 20 0 BCADLP COC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C1CC1 ZINC000308928481 385290113 /nfs/dbraw/zinc/29/01/13/385290113.db2.gz IYEYFGUVBNCFDD-USWWRNFRSA-N 2 2 212.337 0.951 20 0 BCADLP CN(C)c1nc(NCC(F)(F)C[NH3+])cc[nH+]1 ZINC000164928570 385333604 /nfs/dbraw/zinc/33/36/04/385333604.db2.gz NSOMWTACRGVSEB-UHFFFAOYSA-N 2 2 231.250 0.549 20 0 BCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CC(=O)NC2CC2)[C@@H]1C ZINC000316902006 385340181 /nfs/dbraw/zinc/34/01/81/385340181.db2.gz SLBKZZRXRQDTOC-CKYFFXLPSA-N 2 2 239.363 0.713 20 0 BCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CC(=O)NC2CC2)[C@@H]1C ZINC000316902006 385340184 /nfs/dbraw/zinc/34/01/84/385340184.db2.gz SLBKZZRXRQDTOC-CKYFFXLPSA-N 2 2 239.363 0.713 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000192117464 385346164 /nfs/dbraw/zinc/34/61/64/385346164.db2.gz RRNQCLXCPNMDNQ-NXEZZACHSA-N 2 2 246.314 0.934 20 0 BCADLP Cc1c[nH+]c(CNC[C@H](C)[NH+](C)C)n1C ZINC000309014082 385369208 /nfs/dbraw/zinc/36/92/08/385369208.db2.gz SXYOOVRPWQASMQ-VIFPVBQESA-N 2 2 210.325 0.768 20 0 BCADLP C[NH2+]C[C@@H](C)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000179170388 385371402 /nfs/dbraw/zinc/37/14/02/385371402.db2.gz ZWIZZOXWSKVNEZ-SNVBAGLBSA-N 2 2 246.314 0.920 20 0 BCADLP CN(CCCn1cc[nH+]c1)C(=O)C[NH+](C)C ZINC000155079823 385374457 /nfs/dbraw/zinc/37/44/57/385374457.db2.gz LQDOWLPBOHFMHH-UHFFFAOYSA-N 2 2 224.308 0.293 20 0 BCADLP CC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000309041740 385388004 /nfs/dbraw/zinc/38/80/04/385388004.db2.gz LPYPRLRBRDIPQP-ADEWGFFLSA-N 2 2 212.337 0.830 20 0 BCADLP CC[C@H](O)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000309041740 385388007 /nfs/dbraw/zinc/38/80/07/385388007.db2.gz LPYPRLRBRDIPQP-ADEWGFFLSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H]([NH3+])CCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000193302245 385392069 /nfs/dbraw/zinc/39/20/69/385392069.db2.gz LTVZQVFGAAKWKD-QWRGUYRKSA-N 2 2 238.335 0.763 20 0 BCADLP C[C@H]([NH3+])CCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000178615476 385399619 /nfs/dbraw/zinc/39/96/19/385399619.db2.gz NXHXDGFDGOOIRX-JTQLQIEISA-N 2 2 246.314 0.730 20 0 BCADLP CC[C@@H]1C[N@H+](CC2(C[NH3+])CC2)CC[C@H]1[NH3+] ZINC000647497404 385406079 /nfs/dbraw/zinc/40/60/79/385406079.db2.gz GRXQPIVHRYNQAK-GHMZBOCLSA-N 3 2 211.353 0.785 20 0 BCADLP CC[C@@H]1C[N@@H+](CC2(C[NH3+])CC2)CC[C@H]1[NH3+] ZINC000647497404 385406084 /nfs/dbraw/zinc/40/60/84/385406084.db2.gz GRXQPIVHRYNQAK-GHMZBOCLSA-N 3 2 211.353 0.785 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000169092276 385406575 /nfs/dbraw/zinc/40/65/75/385406575.db2.gz FTJQGCIGYKZSGX-MNOVXSKESA-N 2 2 220.320 0.746 20 0 BCADLP O=C(NC[C@@H]1CCC[NH2+]1)c1ccc2[nH+]ccn2c1 ZINC000178741351 385416192 /nfs/dbraw/zinc/41/61/92/385416192.db2.gz CAPVOWDBAUUWAA-NSHDSACASA-N 2 2 244.298 0.816 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360817082 385420396 /nfs/dbraw/zinc/42/03/96/385420396.db2.gz LRQFHYHRUDGROH-YIZRAAEISA-N 2 2 247.289 0.227 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000309163092 385443398 /nfs/dbraw/zinc/44/33/98/385443398.db2.gz ZWDCYUJJTVXCQD-QWRGUYRKSA-N 2 2 212.337 0.689 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000309163092 385443402 /nfs/dbraw/zinc/44/34/02/385443402.db2.gz ZWDCYUJJTVXCQD-QWRGUYRKSA-N 2 2 212.337 0.689 20 0 BCADLP C[NH+](C)C[C@@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000179218950 385452026 /nfs/dbraw/zinc/45/20/26/385452026.db2.gz LXTZLKGEMFKGGJ-LLVKDONJSA-N 2 2 224.308 0.172 20 0 BCADLP C[NH+](C)C[C@@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000179218950 385452030 /nfs/dbraw/zinc/45/20/30/385452030.db2.gz LXTZLKGEMFKGGJ-LLVKDONJSA-N 2 2 224.308 0.172 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+]Cc1cocn1 ZINC000309183947 385454004 /nfs/dbraw/zinc/45/40/04/385454004.db2.gz OHPPYLGBJKUMHB-UHFFFAOYSA-N 2 2 206.249 0.969 20 0 BCADLP Cn1nccc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000179636549 385479356 /nfs/dbraw/zinc/47/93/56/385479356.db2.gz QHAAJBKASWWCQU-NSHDSACASA-N 2 2 222.336 0.804 20 0 BCADLP Cn1nccc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000179636549 385479362 /nfs/dbraw/zinc/47/93/62/385479362.db2.gz QHAAJBKASWWCQU-NSHDSACASA-N 2 2 222.336 0.804 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@@H]([NH3+])CCC(C)C)CC1 ZINC000257706549 385490818 /nfs/dbraw/zinc/49/08/18/385490818.db2.gz QCJMHIKCPOMUSN-LBPRGKRZSA-N 2 2 241.379 0.914 20 0 BCADLP CC[C@H](CO)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000309250269 385499901 /nfs/dbraw/zinc/49/99/01/385499901.db2.gz ZZXFHHUQKVPMRW-HOSYDEDBSA-N 2 2 212.337 0.830 20 0 BCADLP CC[C@H](CO)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000309250269 385499905 /nfs/dbraw/zinc/49/99/05/385499905.db2.gz ZZXFHHUQKVPMRW-HOSYDEDBSA-N 2 2 212.337 0.830 20 0 BCADLP CC(C)C(=O)NCC[N@H+](C)CC(C)(C)[NH3+] ZINC000309295839 385518024 /nfs/dbraw/zinc/51/80/24/385518024.db2.gz RLFNIYVPFUAMOT-UHFFFAOYSA-N 2 2 215.341 0.428 20 0 BCADLP CC(C)C(=O)NCC[N@@H+](C)CC(C)(C)[NH3+] ZINC000309295839 385518028 /nfs/dbraw/zinc/51/80/28/385518028.db2.gz RLFNIYVPFUAMOT-UHFFFAOYSA-N 2 2 215.341 0.428 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)CC1OCCO1 ZINC000180214740 385514362 /nfs/dbraw/zinc/51/43/62/385514362.db2.gz ADUGLILRZUAXJF-UHFFFAOYSA-N 2 2 225.292 0.578 20 0 BCADLP Cc1cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)nc[nH+]1 ZINC000643031319 385527647 /nfs/dbraw/zinc/52/76/47/385527647.db2.gz MVFGXKFHKYFDNF-WDEREUQCSA-N 2 2 218.304 0.973 20 0 BCADLP CC[N@H+](CCOC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309394398 385561514 /nfs/dbraw/zinc/56/15/14/385561514.db2.gz IDZCNCLBWATUMI-LBPRGKRZSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](CCOC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309394398 385561520 /nfs/dbraw/zinc/56/15/20/385561520.db2.gz IDZCNCLBWATUMI-LBPRGKRZSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](CCOC)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309394398 385561522 /nfs/dbraw/zinc/56/15/22/385561522.db2.gz IDZCNCLBWATUMI-LBPRGKRZSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](CCOC)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309394398 385561527 /nfs/dbraw/zinc/56/15/27/385561527.db2.gz IDZCNCLBWATUMI-LBPRGKRZSA-N 2 2 230.352 0.410 20 0 BCADLP CC[C@H](C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)OC ZINC000309392793 385562225 /nfs/dbraw/zinc/56/22/25/385562225.db2.gz UBFAXHBMEZSXSB-SDDRHHMPSA-N 2 2 230.352 0.768 20 0 BCADLP CC[C@H](C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1)OC ZINC000309392790 385562976 /nfs/dbraw/zinc/56/29/76/385562976.db2.gz UBFAXHBMEZSXSB-GRYCIOLGSA-N 2 2 230.352 0.768 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000309474769 385604106 /nfs/dbraw/zinc/60/41/06/385604106.db2.gz XXPITEPQFDDHJN-LBPRGKRZSA-N 2 2 227.352 0.573 20 0 BCADLP CCCCNC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000309474769 385604116 /nfs/dbraw/zinc/60/41/16/385604116.db2.gz XXPITEPQFDDHJN-LBPRGKRZSA-N 2 2 227.352 0.573 20 0 BCADLP C[NH+](C)C[C@@H]1CCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493545057 385582749 /nfs/dbraw/zinc/58/27/49/385582749.db2.gz CNQDZGHCZGXWAT-QRGHLMKCSA-N 2 2 248.330 0.976 20 0 BCADLP C[C@@H](O)CC[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309451662 385585343 /nfs/dbraw/zinc/58/53/43/385585343.db2.gz QAHTXLCNFQBPTK-ZYHUDNBSSA-N 2 2 230.352 0.144 20 0 BCADLP C[C@@H](O)CC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309451662 385585344 /nfs/dbraw/zinc/58/53/44/385585344.db2.gz QAHTXLCNFQBPTK-ZYHUDNBSSA-N 2 2 230.352 0.144 20 0 BCADLP C[C@@H](O)CC[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309451662 385585347 /nfs/dbraw/zinc/58/53/47/385585347.db2.gz QAHTXLCNFQBPTK-ZYHUDNBSSA-N 2 2 230.352 0.144 20 0 BCADLP C[C@@H](O)CC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309451662 385585350 /nfs/dbraw/zinc/58/53/50/385585350.db2.gz QAHTXLCNFQBPTK-ZYHUDNBSSA-N 2 2 230.352 0.144 20 0 BCADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)[nH]1 ZINC000414849089 385616541 /nfs/dbraw/zinc/61/65/41/385616541.db2.gz QPDRAZXZEVLWQU-VIFPVBQESA-N 2 2 237.303 0.643 20 0 BCADLP C[NH+]1CCC(CNC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493847427 385630527 /nfs/dbraw/zinc/63/05/27/385630527.db2.gz FDAKWAAJIJEQFF-NSCUHMNNSA-N 2 2 248.330 0.881 20 0 BCADLP CC[NH+](CC)CCC[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000365192871 385633680 /nfs/dbraw/zinc/63/36/80/385633680.db2.gz SYBBMBXKYORZLO-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP CC[NH+](CC)CCC[N@H+]1CCNC(=O)C[C@@H]1C ZINC000365192871 385633697 /nfs/dbraw/zinc/63/36/97/385633697.db2.gz SYBBMBXKYORZLO-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP Cc1c(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cnn1C ZINC000309512211 385646914 /nfs/dbraw/zinc/64/69/14/385646914.db2.gz XSLYPYCYLFNENX-JOYOIKCWSA-N 2 2 222.336 0.768 20 0 BCADLP Cc1c(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cnn1C ZINC000309512211 385646917 /nfs/dbraw/zinc/64/69/17/385646917.db2.gz XSLYPYCYLFNENX-JOYOIKCWSA-N 2 2 222.336 0.768 20 0 BCADLP Cc1c(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cnn1C ZINC000309512212 385647832 /nfs/dbraw/zinc/64/78/32/385647832.db2.gz XSLYPYCYLFNENX-SKDRFNHKSA-N 2 2 222.336 0.768 20 0 BCADLP Cc1c(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cnn1C ZINC000309512212 385647836 /nfs/dbraw/zinc/64/78/36/385647836.db2.gz XSLYPYCYLFNENX-SKDRFNHKSA-N 2 2 222.336 0.768 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]Cc1cccnc1 ZINC000184550369 385676782 /nfs/dbraw/zinc/67/67/82/385676782.db2.gz WWCKMNOYQIAPQO-UHFFFAOYSA-N 2 2 223.320 0.485 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]Cc1cccnc1 ZINC000184550369 385676784 /nfs/dbraw/zinc/67/67/84/385676784.db2.gz WWCKMNOYQIAPQO-UHFFFAOYSA-N 2 2 223.320 0.485 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000309548687 385680925 /nfs/dbraw/zinc/68/09/25/385680925.db2.gz HMNAUGNOPXNJTA-QWRGUYRKSA-N 2 2 227.352 0.714 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000309548687 385680926 /nfs/dbraw/zinc/68/09/26/385680926.db2.gz HMNAUGNOPXNJTA-QWRGUYRKSA-N 2 2 227.352 0.714 20 0 BCADLP CC(C)C(=O)NCC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000309594510 385717899 /nfs/dbraw/zinc/71/78/99/385717899.db2.gz HWKSJHSINXVYCI-WDEREUQCSA-N 2 2 227.352 0.298 20 0 BCADLP CC(C)C(=O)NCC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000309594510 385717903 /nfs/dbraw/zinc/71/79/03/385717903.db2.gz HWKSJHSINXVYCI-WDEREUQCSA-N 2 2 227.352 0.298 20 0 BCADLP CC(C)C[C@@H](C[NH3+])NCc1[nH+]ccn1C ZINC000414855613 385702867 /nfs/dbraw/zinc/70/28/67/385702867.db2.gz XJDLCQNJWQPXJI-JTQLQIEISA-N 2 2 210.325 0.883 20 0 BCADLP Cc1nc(N2CC[C@]3(CC[N@@H+](C)C3)C2)nc(N)[nH+]1 ZINC000310958581 385704852 /nfs/dbraw/zinc/70/48/52/385704852.db2.gz NNZMSFKXFVZSJW-LBPRGKRZSA-N 2 2 248.334 0.294 20 0 BCADLP Cc1nc(N)nc(N2CC[C@]3(CC[N@@H+](C)C3)C2)[nH+]1 ZINC000310958581 385704861 /nfs/dbraw/zinc/70/48/61/385704861.db2.gz NNZMSFKXFVZSJW-LBPRGKRZSA-N 2 2 248.334 0.294 20 0 BCADLP Cc1nc(N)nc(N2CC[C@]3(CC[N@H+](C)C3)C2)[nH+]1 ZINC000310958581 385704864 /nfs/dbraw/zinc/70/48/64/385704864.db2.gz NNZMSFKXFVZSJW-LBPRGKRZSA-N 2 2 248.334 0.294 20 0 BCADLP Cn1cc[nH+]c1CN1CC[NH2+]C[C@](C)(F)C1 ZINC000335255709 385740380 /nfs/dbraw/zinc/74/03/80/385740380.db2.gz JEBSDVYUGKQWKO-NSHDSACASA-N 2 2 226.299 0.554 20 0 BCADLP CC[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCNC1=O ZINC000282188491 385740822 /nfs/dbraw/zinc/74/08/22/385740822.db2.gz BVEIVFWKNYBWOL-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP CC[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCNC1=O ZINC000282188491 385740826 /nfs/dbraw/zinc/74/08/26/385740826.db2.gz BVEIVFWKNYBWOL-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)CCOC ZINC000186580014 385774069 /nfs/dbraw/zinc/77/40/69/385774069.db2.gz JRFSTFMEMPIDQN-NSHDSACASA-N 2 2 218.341 0.315 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)CCOC ZINC000186580014 385774075 /nfs/dbraw/zinc/77/40/75/385774075.db2.gz JRFSTFMEMPIDQN-NSHDSACASA-N 2 2 218.341 0.315 20 0 BCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cncs1 ZINC000309590022 385720896 /nfs/dbraw/zinc/72/08/96/385720896.db2.gz UNLDDVXFPZMMPI-GXSJLCMTSA-N 2 2 241.360 0.860 20 0 BCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cncs1 ZINC000309590022 385720898 /nfs/dbraw/zinc/72/08/98/385720898.db2.gz UNLDDVXFPZMMPI-GXSJLCMTSA-N 2 2 241.360 0.860 20 0 BCADLP C[C@H]1C(=O)N(C)CC[N@H+]1CCn1cc[nH+]c1 ZINC000186996018 385824394 /nfs/dbraw/zinc/82/43/94/385824394.db2.gz NYAUSDIKKKECMN-JTQLQIEISA-N 2 2 222.292 0.046 20 0 BCADLP C[C@H]1C(=O)N(C)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000186996018 385824398 /nfs/dbraw/zinc/82/43/98/385824398.db2.gz NYAUSDIKKKECMN-JTQLQIEISA-N 2 2 222.292 0.046 20 0 BCADLP Cc1noc([C@@H](C)[NH2+]CCn2cc[nH+]c2)n1 ZINC000336737854 385824849 /nfs/dbraw/zinc/82/48/49/385824849.db2.gz JWHHFHMYTUBFRC-MRVPVSSYSA-N 2 2 221.264 0.925 20 0 BCADLP C[NH+](C)[C@@H](CNC(N)=[NH2+])c1ccsc1 ZINC000261691714 385826995 /nfs/dbraw/zinc/82/69/95/385826995.db2.gz BJPOPRUQXJGWDW-QMMMGPOBSA-N 2 2 212.322 0.834 20 0 BCADLP C[C@@H]([NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000261901640 385832357 /nfs/dbraw/zinc/83/23/57/385832357.db2.gz ZCGVHMBAAXXWTP-MRVPVSSYSA-N 2 2 218.260 0.298 20 0 BCADLP CC(C)[C@H]([NH3+])C(=O)N(C)CCCn1cc[nH+]c1 ZINC000262147991 385837505 /nfs/dbraw/zinc/83/75/05/385837505.db2.gz QSINZKOALAAWKR-NSHDSACASA-N 2 2 238.335 0.715 20 0 BCADLP O=C(C=Cc1c[nH]c[nH+]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000283969031 385843497 /nfs/dbraw/zinc/84/34/97/385843497.db2.gz MDJVKTXBUHCGCX-AAOUONPWSA-N 2 2 246.314 0.730 20 0 BCADLP O=C(C=Cc1c[nH]c[nH+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000283969031 385843499 /nfs/dbraw/zinc/84/34/99/385843499.db2.gz MDJVKTXBUHCGCX-AAOUONPWSA-N 2 2 246.314 0.730 20 0 BCADLP C[N@H+](CCC[NH3+])[C@H](C(N)=O)c1ccccc1 ZINC000647849522 385901208 /nfs/dbraw/zinc/90/12/08/385901208.db2.gz WVDZNMZFDZCEBF-NSHDSACASA-N 2 2 221.304 0.494 20 0 BCADLP C[N@@H+](CCC[NH3+])[C@H](C(N)=O)c1ccccc1 ZINC000647849522 385901212 /nfs/dbraw/zinc/90/12/12/385901212.db2.gz WVDZNMZFDZCEBF-NSHDSACASA-N 2 2 221.304 0.494 20 0 BCADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CC(=O)NC ZINC000341985053 385912848 /nfs/dbraw/zinc/91/28/48/385912848.db2.gz ZJMHUFIQESWJEC-RYUDHWBXSA-N 2 2 241.379 0.975 20 0 BCADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CC(=O)NC ZINC000341985053 385912853 /nfs/dbraw/zinc/91/28/53/385912853.db2.gz ZJMHUFIQESWJEC-RYUDHWBXSA-N 2 2 241.379 0.975 20 0 BCADLP Cc1cccc(NC[C@@H]2C[NH2+]CCN2C)[nH+]1 ZINC000394725615 385917756 /nfs/dbraw/zinc/91/77/56/385917756.db2.gz DZGQFCVJKIAGLK-NSHDSACASA-N 2 2 220.320 0.706 20 0 BCADLP CC(C)NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814667 385869532 /nfs/dbraw/zinc/86/95/32/385869532.db2.gz YSIPHPCVSJJCDC-UHFFFAOYSA-N 2 2 239.363 0.727 20 0 BCADLP CC(C)NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814667 385869536 /nfs/dbraw/zinc/86/95/36/385869536.db2.gz YSIPHPCVSJJCDC-UHFFFAOYSA-N 2 2 239.363 0.727 20 0 BCADLP [NH3+]C[C@@H]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000647830610 385872289 /nfs/dbraw/zinc/87/22/89/385872289.db2.gz WELKWSHLKWBMGP-RWMBFGLXSA-N 2 2 239.363 0.130 20 0 BCADLP [NH3+]C[C@@H]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000647830610 385872294 /nfs/dbraw/zinc/87/22/94/385872294.db2.gz WELKWSHLKWBMGP-RWMBFGLXSA-N 2 2 239.363 0.130 20 0 BCADLP O=C(CCn1cc[nH+]c1)NCCn1cc[nH+]c1 ZINC000338002098 385873627 /nfs/dbraw/zinc/87/36/27/385873627.db2.gz HNDIJSPULZBSNE-UHFFFAOYSA-N 2 2 233.275 0.286 20 0 BCADLP OCC[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000336720720 385880642 /nfs/dbraw/zinc/88/06/42/385880642.db2.gz ZWIZHFZJFUWSJS-LLVKDONJSA-N 2 2 209.293 0.730 20 0 BCADLP OCC[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000336720720 385880648 /nfs/dbraw/zinc/88/06/48/385880648.db2.gz ZWIZHFZJFUWSJS-LLVKDONJSA-N 2 2 209.293 0.730 20 0 BCADLP COc1nccnc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000295148021 385978869 /nfs/dbraw/zinc/97/88/69/385978869.db2.gz JGVOBTFBMJPICZ-JTQLQIEISA-N 2 2 238.335 0.915 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000335020064 385980577 /nfs/dbraw/zinc/98/05/77/385980577.db2.gz XVTANDDTTFJIKA-QMMMGPOBSA-N 2 2 208.265 0.200 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335021137 385980986 /nfs/dbraw/zinc/98/09/86/385980986.db2.gz CGLUMENDNYUKPP-RYUDHWBXSA-N 3 2 225.380 0.916 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335021137 385980991 /nfs/dbraw/zinc/98/09/91/385980991.db2.gz CGLUMENDNYUKPP-RYUDHWBXSA-N 3 2 225.380 0.916 20 0 BCADLP CCCNC(=O)[C@@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000647926885 385984770 /nfs/dbraw/zinc/98/47/70/385984770.db2.gz QAOAECJOQWHBCR-SNVBAGLBSA-N 2 2 227.352 0.714 20 0 BCADLP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[NH2+]C2)n1 ZINC000414881131 385987724 /nfs/dbraw/zinc/98/77/24/385987724.db2.gz KUKISCWIVLGTOV-JQWIXIFHSA-N 2 2 235.331 0.973 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c[nH+]1 ZINC000335044520 385938557 /nfs/dbraw/zinc/93/85/57/385938557.db2.gz USJJYPLWTMPJAW-VXNVDRBHSA-N 2 2 222.292 0.446 20 0 BCADLP C[C@H]([NH2+]CC1([NH3+])CCC1)C(=O)NC(C)(C)C ZINC000342152824 385946688 /nfs/dbraw/zinc/94/66/88/385946688.db2.gz YTCMGSLRJHOHAD-VIFPVBQESA-N 2 2 227.352 0.761 20 0 BCADLP CC[C@H]1C(=O)NCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000251488243 385954265 /nfs/dbraw/zinc/95/42/65/385954265.db2.gz CVCOAUCGMKKHQL-QWRGUYRKSA-N 2 2 225.336 0.196 20 0 BCADLP CC[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000251488243 385954271 /nfs/dbraw/zinc/95/42/71/385954271.db2.gz CVCOAUCGMKKHQL-QWRGUYRKSA-N 2 2 225.336 0.196 20 0 BCADLP CC1([NH3+])CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000647924974 385964099 /nfs/dbraw/zinc/96/40/99/385964099.db2.gz ZOYICNXFJNJDKA-UHFFFAOYSA-N 2 2 225.336 0.422 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCc2cn[nH]c2)CCO1 ZINC000309186795 385994446 /nfs/dbraw/zinc/99/44/46/385994446.db2.gz AEZVIBDOLVOCPJ-ONGXEEELSA-N 2 2 224.308 0.000 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCc2cn[nH]c2)CCO1 ZINC000309186795 385994448 /nfs/dbraw/zinc/99/44/48/385994448.db2.gz AEZVIBDOLVOCPJ-ONGXEEELSA-N 2 2 224.308 0.000 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]C1CC(OC)C1 ZINC000336752332 386013013 /nfs/dbraw/zinc/01/30/13/386013013.db2.gz GFIRCRKHUWJLPE-UHFFFAOYSA-N 2 2 216.325 0.068 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]C1CC(OC)C1 ZINC000336752332 386013018 /nfs/dbraw/zinc/01/30/18/386013018.db2.gz GFIRCRKHUWJLPE-UHFFFAOYSA-N 2 2 216.325 0.068 20 0 BCADLP Cc1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)on1 ZINC000309494378 386015679 /nfs/dbraw/zinc/01/56/79/386015679.db2.gz YWDCCJLIXUIEGO-LLVKDONJSA-N 2 2 227.308 0.385 20 0 BCADLP C[NH+]1CCC([NH2+]CC(=O)NCC(F)F)CC1 ZINC000336770899 386019840 /nfs/dbraw/zinc/01/98/40/386019840.db2.gz TYXFCIJEQKLPIX-UHFFFAOYSA-N 2 2 235.278 0.052 20 0 BCADLP Cc1ccncc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000234232408 386035663 /nfs/dbraw/zinc/03/56/63/386035663.db2.gz QJHYHGIQXZVERL-CYBMUJFWSA-N 2 2 237.347 0.792 20 0 BCADLP Cc1ccncc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000234244760 386038628 /nfs/dbraw/zinc/03/86/28/386038628.db2.gz QJHYHGIQXZVERL-ZDUSSCGKSA-N 2 2 237.347 0.792 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2nncn2C)[C@@H](C)C1 ZINC000345170311 386038662 /nfs/dbraw/zinc/03/86/62/386038662.db2.gz QVIQVHNWXRUJHY-QWRGUYRKSA-N 2 2 237.351 0.635 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+]Cc2nncn2C)[C@@H](C)C1 ZINC000345170311 386038665 /nfs/dbraw/zinc/03/86/65/386038665.db2.gz QVIQVHNWXRUJHY-QWRGUYRKSA-N 2 2 237.351 0.635 20 0 BCADLP COC[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000336749401 385997017 /nfs/dbraw/zinc/99/70/17/385997017.db2.gz DHYUYRWPTWVKJJ-UWVGGRQHSA-N 2 2 209.293 0.822 20 0 BCADLP C[C@@H](C[NH+](C)C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000287251892 386106646 /nfs/dbraw/zinc/10/66/46/386106646.db2.gz QYEPZYQKFHUVID-VIFPVBQESA-N 2 2 224.308 0.409 20 0 BCADLP C[NH2+]CCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000415632556 386114431 /nfs/dbraw/zinc/11/44/31/386114431.db2.gz UCXQAJHRRNDSCW-UHFFFAOYSA-N 2 2 233.275 0.675 20 0 BCADLP c1ncc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cn1 ZINC000112839228 386119760 /nfs/dbraw/zinc/11/97/60/386119760.db2.gz FSEUEYBSKNLKPU-OLZOCXBDSA-N 2 2 248.330 0.429 20 0 BCADLP CC[NH2+][C@H](C)CNC(=O)Nc1cc[nH+]cc1C ZINC000415386398 386069815 /nfs/dbraw/zinc/06/98/15/386069815.db2.gz OZPDBHWQRQFLNC-SNVBAGLBSA-N 2 2 236.319 0.931 20 0 BCADLP C[C@@H]1CN(Cc2[nH+]ccn2C)[C@@H](C)C[N@@H+]1C ZINC000334441489 386070248 /nfs/dbraw/zinc/07/02/48/386070248.db2.gz LGCHMINGJPMPIK-MNOVXSKESA-N 2 2 222.336 0.945 20 0 BCADLP C[C@@H]1CN(Cc2[nH+]ccn2C)[C@@H](C)C[N@H+]1C ZINC000334441489 386070254 /nfs/dbraw/zinc/07/02/54/386070254.db2.gz LGCHMINGJPMPIK-MNOVXSKESA-N 2 2 222.336 0.945 20 0 BCADLP COCC[NH2+]CC[NH2+][C@H]1CCCSC1 ZINC000414887641 386092468 /nfs/dbraw/zinc/09/24/68/386092468.db2.gz QWLOAMXGVJUVSC-JTQLQIEISA-N 2 2 218.366 0.708 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]Cc1c(C)n[nH]c1C ZINC000274377775 386095942 /nfs/dbraw/zinc/09/59/42/386095942.db2.gz IDJVUGWCRYRNKK-UHFFFAOYSA-N 2 2 240.351 0.430 20 0 BCADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]32)CC1 ZINC000334472229 386151060 /nfs/dbraw/zinc/15/10/60/386151060.db2.gz KGIGWGVXSKOCDI-RYUDHWBXSA-N 2 2 237.347 0.245 20 0 BCADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]32)CC1 ZINC000334472229 386151065 /nfs/dbraw/zinc/15/10/65/386151065.db2.gz KGIGWGVXSKOCDI-RYUDHWBXSA-N 2 2 237.347 0.245 20 0 BCADLP C[C@@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[NH2+]1 ZINC000310390207 386176332 /nfs/dbraw/zinc/17/63/32/386176332.db2.gz KWMJZTAVNAIKDF-MNOVXSKESA-N 2 2 236.319 0.530 20 0 BCADLP COCC[N@H+](CCO)C[C@H]([NH3+])CC(C)C ZINC000414688651 386176514 /nfs/dbraw/zinc/17/65/14/386176514.db2.gz DNNHTXWEEGLGIL-LLVKDONJSA-N 2 2 218.341 0.301 20 0 BCADLP COCC[N@@H+](CCO)C[C@H]([NH3+])CC(C)C ZINC000414688651 386176518 /nfs/dbraw/zinc/17/65/18/386176518.db2.gz DNNHTXWEEGLGIL-LLVKDONJSA-N 2 2 218.341 0.301 20 0 BCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCC([NH+](C)C)CC1 ZINC000338937412 386181585 /nfs/dbraw/zinc/18/15/85/386181585.db2.gz FTFOUULQPBRQNJ-JTQLQIEISA-N 2 2 239.363 0.680 20 0 BCADLP CC[N@H+](CCC[NH3+])[C@H](C)CS(=O)(=O)CC ZINC000414692236 386183212 /nfs/dbraw/zinc/18/32/12/386183212.db2.gz KLMZRRORWZIESB-SNVBAGLBSA-N 2 2 236.381 0.480 20 0 BCADLP CC[N@@H+](CCC[NH3+])[C@H](C)CS(=O)(=O)CC ZINC000414692236 386183218 /nfs/dbraw/zinc/18/32/18/386183218.db2.gz KLMZRRORWZIESB-SNVBAGLBSA-N 2 2 236.381 0.480 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCC[C@H]1O ZINC000323578666 386129093 /nfs/dbraw/zinc/12/90/93/386129093.db2.gz UZIULSMKUYUJCN-DDHJBXDOSA-N 2 2 228.336 0.256 20 0 BCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000365520815 386142086 /nfs/dbraw/zinc/14/20/86/386142086.db2.gz ZUJMELIRDYOEPV-GARJFASQSA-N 2 2 237.347 0.147 20 0 BCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000365520815 386142092 /nfs/dbraw/zinc/14/20/92/386142092.db2.gz ZUJMELIRDYOEPV-GARJFASQSA-N 2 2 237.347 0.147 20 0 BCADLP C[C@@H](C(=O)NC1CC1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000365520815 386142098 /nfs/dbraw/zinc/14/20/98/386142098.db2.gz ZUJMELIRDYOEPV-GARJFASQSA-N 2 2 237.347 0.147 20 0 BCADLP C[C@@H](C(=O)NC1CC1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000365520815 386142103 /nfs/dbraw/zinc/14/21/03/386142103.db2.gz ZUJMELIRDYOEPV-GARJFASQSA-N 2 2 237.347 0.147 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]CC(C)(C)[NH+](C)C ZINC000309169132 386211131 /nfs/dbraw/zinc/21/11/31/386211131.db2.gz KNBYXXJZWAYHHP-VIFPVBQESA-N 2 2 215.341 0.441 20 0 BCADLP COC(=O)[C@@H]1CC[N@H+](CCn2cc[nH+]c2)[C@@H]1C ZINC000347147797 386259673 /nfs/dbraw/zinc/25/96/73/386259673.db2.gz YNMTVFXZMOPZDB-GHMZBOCLSA-N 2 2 237.303 0.767 20 0 BCADLP COC(=O)[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@@H]1C ZINC000347147797 386259678 /nfs/dbraw/zinc/25/96/78/386259678.db2.gz YNMTVFXZMOPZDB-GHMZBOCLSA-N 2 2 237.303 0.767 20 0 BCADLP COC(=O)c1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])o1 ZINC000415000488 386224109 /nfs/dbraw/zinc/22/41/09/386224109.db2.gz BEKMCIUHTSOHMQ-JGVFFNPUSA-N 2 2 226.276 0.892 20 0 BCADLP C[N@H+](CCC[NH3+])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000414714424 386233790 /nfs/dbraw/zinc/23/37/90/386233790.db2.gz VQWYSIQZBPHBFW-GHMZBOCLSA-N 2 2 248.392 0.623 20 0 BCADLP C[N@@H+](CCC[NH3+])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000414714424 386233794 /nfs/dbraw/zinc/23/37/94/386233794.db2.gz VQWYSIQZBPHBFW-GHMZBOCLSA-N 2 2 248.392 0.623 20 0 BCADLP Cc1cnc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000347090324 386244160 /nfs/dbraw/zinc/24/41/60/386244160.db2.gz FBDFYCOIWSJKPX-LLVKDONJSA-N 2 2 220.320 0.956 20 0 BCADLP Cc1cnc(C[N@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000347090324 386244166 /nfs/dbraw/zinc/24/41/66/386244166.db2.gz FBDFYCOIWSJKPX-LLVKDONJSA-N 2 2 220.320 0.956 20 0 BCADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N1CCC1 ZINC000264639735 386256449 /nfs/dbraw/zinc/25/64/49/386256449.db2.gz UQIMMMLNZHRFKY-UHFFFAOYSA-N 2 2 248.330 0.752 20 0 BCADLP CC[C@@H](C(=O)NCc1c[nH+]c[nH]1)[NH+](C)C ZINC000338964884 386192607 /nfs/dbraw/zinc/19/26/07/386192607.db2.gz DHYHELBXDCCQFJ-VIFPVBQESA-N 2 2 210.281 0.366 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+](CCO)CCCO ZINC000414697752 386198318 /nfs/dbraw/zinc/19/83/18/386198318.db2.gz QGHCPRYBYKWEQC-LLVKDONJSA-N 2 2 218.341 0.037 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+](CCO)CCCO ZINC000414697752 386198322 /nfs/dbraw/zinc/19/83/22/386198322.db2.gz QGHCPRYBYKWEQC-LLVKDONJSA-N 2 2 218.341 0.037 20 0 BCADLP C[N@H+](Cc1ccccn1)C1CC[NH+](CCO)CC1 ZINC000353363352 386302173 /nfs/dbraw/zinc/30/21/73/386302173.db2.gz JGBQSWHYSHVBKJ-UHFFFAOYSA-N 2 2 249.358 0.970 20 0 BCADLP C[N@@H+](Cc1ccccn1)C1CC[NH+](CCO)CC1 ZINC000353363352 386302178 /nfs/dbraw/zinc/30/21/78/386302178.db2.gz JGBQSWHYSHVBKJ-UHFFFAOYSA-N 2 2 249.358 0.970 20 0 BCADLP CO[C@H]1C[NH+](Cc2c[nH+]cn2C)C[C@@H]1OC ZINC000336668695 386309217 /nfs/dbraw/zinc/30/92/17/386309217.db2.gz QEMZVURQZGYGFZ-QWRGUYRKSA-N 2 2 225.292 0.266 20 0 BCADLP Cc1cccc(N2CC[N@H+](CCO)[C@H](C)C2)[nH+]1 ZINC000336679538 386321071 /nfs/dbraw/zinc/32/10/71/386321071.db2.gz BYBNBCVELMSXAK-GFCCVEGCSA-N 2 2 235.331 0.893 20 0 BCADLP Cc1cccc(N2CC[N@@H+](CCO)[C@H](C)C2)[nH+]1 ZINC000336679538 386321077 /nfs/dbraw/zinc/32/10/77/386321077.db2.gz BYBNBCVELMSXAK-GFCCVEGCSA-N 2 2 235.331 0.893 20 0 BCADLP Cc1cccc(N2CC[N@H+](CCO)[C@@H](C)C2)[nH+]1 ZINC000336679541 386322740 /nfs/dbraw/zinc/32/27/40/386322740.db2.gz BYBNBCVELMSXAK-LBPRGKRZSA-N 2 2 235.331 0.893 20 0 BCADLP Cc1cccc(N2CC[N@@H+](CCO)[C@@H](C)C2)[nH+]1 ZINC000336679541 386322744 /nfs/dbraw/zinc/32/27/44/386322744.db2.gz BYBNBCVELMSXAK-LBPRGKRZSA-N 2 2 235.331 0.893 20 0 BCADLP Cn1nncc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000394927788 386272494 /nfs/dbraw/zinc/27/24/94/386272494.db2.gz SUEJRZRVVYWYQS-JTQLQIEISA-N 2 2 223.324 0.389 20 0 BCADLP Cn1nncc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000394927788 386272505 /nfs/dbraw/zinc/27/25/05/386272505.db2.gz SUEJRZRVVYWYQS-JTQLQIEISA-N 2 2 223.324 0.389 20 0 BCADLP CC[N@H+](CCNC(=O)c1c[nH+]c(C)[nH]1)C1CC1 ZINC000264841755 386275447 /nfs/dbraw/zinc/27/54/47/386275447.db2.gz LCKPTARTDWZSTE-UHFFFAOYSA-N 2 2 236.319 0.932 20 0 BCADLP OC[C@H]1CC[C@@H](CO)[N@@H+]1CCCn1cc[nH+]c1 ZINC000347341874 386339572 /nfs/dbraw/zinc/33/95/72/386339572.db2.gz QXRHNAMCTITYFB-TXEJJXNPSA-N 2 2 239.319 0.091 20 0 BCADLP OC[C@H]1CC[C@@H](CO)[N@H+]1CCCn1cc[nH+]c1 ZINC000347341874 386339576 /nfs/dbraw/zinc/33/95/76/386339576.db2.gz QXRHNAMCTITYFB-TXEJJXNPSA-N 2 2 239.319 0.091 20 0 BCADLP C[NH+](C)C[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000336682191 386341710 /nfs/dbraw/zinc/34/17/10/386341710.db2.gz CZFGOAQJSAVZLC-CYBMUJFWSA-N 2 2 241.379 0.202 20 0 BCADLP C[NH+](C)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276572636 386345731 /nfs/dbraw/zinc/34/57/31/386345731.db2.gz LHESUCWSCSJJCD-SNAWJCMRSA-N 2 2 222.292 0.491 20 0 BCADLP CC(C)C[C@H]1C(=O)NCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647989184 386347598 /nfs/dbraw/zinc/34/75/98/386347598.db2.gz ULEMWXARCIXYMJ-RYUDHWBXSA-N 2 2 239.363 0.442 20 0 BCADLP CC(C)C[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647989184 386347601 /nfs/dbraw/zinc/34/76/01/386347601.db2.gz ULEMWXARCIXYMJ-RYUDHWBXSA-N 2 2 239.363 0.442 20 0 BCADLP CC(C)C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647989183 386348017 /nfs/dbraw/zinc/34/80/17/386348017.db2.gz ULEMWXARCIXYMJ-NWDGAFQWSA-N 2 2 239.363 0.442 20 0 BCADLP CC(C)C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647989183 386348019 /nfs/dbraw/zinc/34/80/19/386348019.db2.gz ULEMWXARCIXYMJ-NWDGAFQWSA-N 2 2 239.363 0.442 20 0 BCADLP C[NH+](C)[C@@H]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000276584793 386349926 /nfs/dbraw/zinc/34/99/26/386349926.db2.gz MEDOJNGSGRAMDV-BTDICHCPSA-N 2 2 248.330 0.976 20 0 BCADLP c1ccc2c(c1)CC([NH2+]C[C@@H]1C[NH2+]CCO1)C2 ZINC000335268315 386350848 /nfs/dbraw/zinc/35/08/48/386350848.db2.gz PFJZRKQZEZMJKH-AWEZNQCLSA-N 2 2 232.327 0.732 20 0 BCADLP COC(=O)[C@H](C)C[N@H+](C)CCc1c[nH+]cn1C ZINC000290043965 386386568 /nfs/dbraw/zinc/38/65/68/386386568.db2.gz OFSUDQNYDOCGOW-SNVBAGLBSA-N 2 2 239.319 0.704 20 0 BCADLP COC(=O)[C@H](C)C[N@@H+](C)CCc1c[nH+]cn1C ZINC000290043965 386386573 /nfs/dbraw/zinc/38/65/73/386386573.db2.gz OFSUDQNYDOCGOW-SNVBAGLBSA-N 2 2 239.319 0.704 20 0 BCADLP CNC(=O)N[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414747214 386354169 /nfs/dbraw/zinc/35/41/69/386354169.db2.gz TZRSVNIWFFOXFB-WDEREUQCSA-N 2 2 242.367 0.363 20 0 BCADLP CNC(=O)N[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414747214 386354172 /nfs/dbraw/zinc/35/41/72/386354172.db2.gz TZRSVNIWFFOXFB-WDEREUQCSA-N 2 2 242.367 0.363 20 0 BCADLP CNC(=O)N[C@H]1CC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414747212 386354412 /nfs/dbraw/zinc/35/44/12/386354412.db2.gz TZRSVNIWFFOXFB-QWRGUYRKSA-N 2 2 242.367 0.363 20 0 BCADLP CNC(=O)N[C@H]1CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414747212 386354415 /nfs/dbraw/zinc/35/44/15/386354415.db2.gz TZRSVNIWFFOXFB-QWRGUYRKSA-N 2 2 242.367 0.363 20 0 BCADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC[NH3+])C1 ZINC000414749858 386369029 /nfs/dbraw/zinc/36/90/29/386369029.db2.gz WVXIFJTWLCZGCA-CYBMUJFWSA-N 3 2 225.380 0.999 20 0 BCADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC[NH3+])C1 ZINC000414749858 386369035 /nfs/dbraw/zinc/36/90/35/386369035.db2.gz WVXIFJTWLCZGCA-CYBMUJFWSA-N 3 2 225.380 0.999 20 0 BCADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC[NH3+])C1 ZINC000414749858 386369038 /nfs/dbraw/zinc/36/90/38/386369038.db2.gz WVXIFJTWLCZGCA-CYBMUJFWSA-N 3 2 225.380 0.999 20 0 BCADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC[NH3+])C1 ZINC000414749858 386369042 /nfs/dbraw/zinc/36/90/42/386369042.db2.gz WVXIFJTWLCZGCA-CYBMUJFWSA-N 3 2 225.380 0.999 20 0 BCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccco1 ZINC000336743456 386375596 /nfs/dbraw/zinc/37/55/96/386375596.db2.gz PEQCJUSIHGFFPP-JQWIXIFHSA-N 2 2 224.304 0.997 20 0 BCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccco1 ZINC000336743456 386375604 /nfs/dbraw/zinc/37/56/04/386375604.db2.gz PEQCJUSIHGFFPP-JQWIXIFHSA-N 2 2 224.304 0.997 20 0 BCADLP C[C@H](CNC(=O)[C@H]1CC[NH2+]C1)Cn1cc[nH+]c1 ZINC000237466293 386380669 /nfs/dbraw/zinc/38/06/69/386380669.db2.gz KOYHLLRQNHIMGW-MNOVXSKESA-N 2 2 236.319 0.245 20 0 BCADLP C[C@@]1(C(=O)Nc2ccc(N)[nH+]c2)CCC[NH2+]C1 ZINC000237518092 386385718 /nfs/dbraw/zinc/38/57/18/386385718.db2.gz XDGUMJJWDWXDFI-GFCCVEGCSA-N 2 2 234.303 0.992 20 0 BCADLP [NH3+][C@@H]1C[C@@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000335278976 386327491 /nfs/dbraw/zinc/32/74/91/386327491.db2.gz CHHREZRHPSXOSD-VHSXEESVSA-N 2 2 230.271 0.298 20 0 BCADLP CC(C)C[C@H]([NH3+])CN1CC[N@@H+]2CCOC[C@H]2C1 ZINC000414742738 386330808 /nfs/dbraw/zinc/33/08/08/386330808.db2.gz NUUWVIKKGBTPGF-QWHCGFSZSA-N 2 2 241.379 0.376 20 0 BCADLP CC(C)C[C@H]([NH3+])CN1CC[N@H+]2CCOC[C@H]2C1 ZINC000414742738 386330810 /nfs/dbraw/zinc/33/08/10/386330810.db2.gz NUUWVIKKGBTPGF-QWHCGFSZSA-N 2 2 241.379 0.376 20 0 BCADLP C[C@H](O)CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000336703816 386389002 /nfs/dbraw/zinc/38/90/02/386389002.db2.gz BYCQIQXLGCNQFZ-STQMWFEESA-N 2 2 242.363 0.411 20 0 BCADLP C[C@H](O)CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000336703816 386389006 /nfs/dbraw/zinc/38/90/06/386389006.db2.gz BYCQIQXLGCNQFZ-STQMWFEESA-N 2 2 242.363 0.411 20 0 BCADLP COC1CC([NH2+]C[C@H](C)C[NH+]2CCOCC2)C1 ZINC000347422047 386396477 /nfs/dbraw/zinc/39/64/77/386396477.db2.gz QEFJZTIQZJJFOP-HIFPTAJRSA-N 2 2 242.363 0.722 20 0 BCADLP COC1CC([NH2+]C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000347422049 386397682 /nfs/dbraw/zinc/39/76/82/386397682.db2.gz QEFJZTIQZJJFOP-PNESKVBLSA-N 2 2 242.363 0.722 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000277041197 386401338 /nfs/dbraw/zinc/40/13/38/386401338.db2.gz KEHIBJKSLJVADF-NXEZZACHSA-N 2 2 246.314 0.934 20 0 BCADLP C[NH+](C)C1CC[NH+](CCn2cncn2)CC1 ZINC000336706564 386402339 /nfs/dbraw/zinc/40/23/39/386402339.db2.gz RZFIIETYJQCJRS-UHFFFAOYSA-N 2 2 223.324 0.304 20 0 BCADLP CN(CC[NH+]1CCCC1)CC[NH+]1CCOCC1 ZINC000336707951 386413880 /nfs/dbraw/zinc/41/38/80/386413880.db2.gz OXWJMIFBKBFGDN-UHFFFAOYSA-N 2 2 241.379 0.346 20 0 BCADLP CC[N@H+](C[C@H]([NH3+])CC(C)C)[C@H]1CCNC1=O ZINC000414760920 386417620 /nfs/dbraw/zinc/41/76/20/386417620.db2.gz HXZUYMQKOVGUQZ-MNOVXSKESA-N 2 2 227.352 0.570 20 0 BCADLP CC[N@@H+](C[C@H]([NH3+])CC(C)C)[C@H]1CCNC1=O ZINC000414760920 386417624 /nfs/dbraw/zinc/41/76/24/386417624.db2.gz HXZUYMQKOVGUQZ-MNOVXSKESA-N 2 2 227.352 0.570 20 0 BCADLP Nc1ccc(NC(=O)[C@H]2CCCC[NH2+]2)c[nH+]1 ZINC000237859409 386417595 /nfs/dbraw/zinc/41/75/95/386417595.db2.gz YNPSZBAOZUFOMM-SECBINFHSA-N 2 2 220.276 0.744 20 0 BCADLP [NH3+]CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000237977179 386427683 /nfs/dbraw/zinc/42/76/83/386427683.db2.gz HRCJLZGOHRSFRC-UHFFFAOYSA-N 2 2 248.330 0.647 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266901335 386478996 /nfs/dbraw/zinc/47/89/96/386478996.db2.gz GQFYHDCIIPEULD-RKDXNWHRSA-N 2 2 222.292 0.463 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266901335 386479003 /nfs/dbraw/zinc/47/90/03/386479003.db2.gz GQFYHDCIIPEULD-RKDXNWHRSA-N 2 2 222.292 0.463 20 0 BCADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)Cn1cccn1 ZINC000336740703 386479890 /nfs/dbraw/zinc/47/98/90/386479890.db2.gz UTZHWDLIOKLOPH-MNOVXSKESA-N 2 2 210.325 0.811 20 0 BCADLP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000335432395 386488819 /nfs/dbraw/zinc/48/88/19/386488819.db2.gz FZXJFVSKMYVFRY-ZYHUDNBSSA-N 2 2 236.319 0.934 20 0 BCADLP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000335432395 386488823 /nfs/dbraw/zinc/48/88/23/386488823.db2.gz FZXJFVSKMYVFRY-ZYHUDNBSSA-N 2 2 236.319 0.934 20 0 BCADLP CO[C@]1(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CCOC1 ZINC000336756997 386493438 /nfs/dbraw/zinc/49/34/38/386493438.db2.gz HJUZWUJNIQYMQP-SRVKXCTJSA-N 2 2 228.336 0.332 20 0 BCADLP CO[C@]1(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CCOC1 ZINC000336756997 386493441 /nfs/dbraw/zinc/49/34/41/386493441.db2.gz HJUZWUJNIQYMQP-SRVKXCTJSA-N 2 2 228.336 0.332 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](C)C1 ZINC000415049145 386505540 /nfs/dbraw/zinc/50/55/40/386505540.db2.gz APZXROIHRNQVDO-LBELIVKGSA-N 3 2 223.364 0.524 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](C)C1 ZINC000415049145 386505541 /nfs/dbraw/zinc/50/55/41/386505541.db2.gz APZXROIHRNQVDO-LBELIVKGSA-N 3 2 223.364 0.524 20 0 BCADLP CC(=O)N1CC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000336779577 386505711 /nfs/dbraw/zinc/50/57/11/386505711.db2.gz OTHQWGIYCNVBKH-DLOVCJGASA-N 2 2 225.336 0.147 20 0 BCADLP CC(=O)N1CC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000336779577 386505717 /nfs/dbraw/zinc/50/57/17/386505717.db2.gz OTHQWGIYCNVBKH-DLOVCJGASA-N 2 2 225.336 0.147 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CO[C@H](C)C2)n1C ZINC000519639760 386513775 /nfs/dbraw/zinc/51/37/75/386513775.db2.gz BGKXGHZIFMRTOL-SCZZXKLOSA-N 2 2 209.293 0.996 20 0 BCADLP Cc1cn[nH]c1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000335448309 386518016 /nfs/dbraw/zinc/51/80/16/386518016.db2.gz MNTKLOFFIMRYKX-NXEZZACHSA-N 2 2 208.309 0.887 20 0 BCADLP Cc1c[nH]nc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000335449340 386519952 /nfs/dbraw/zinc/51/99/52/386519952.db2.gz ZNQXNYPYWAQSEO-MNOVXSKESA-N 2 2 220.320 0.902 20 0 BCADLP Cc1c[nH]nc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000335449340 386519955 /nfs/dbraw/zinc/51/99/55/386519955.db2.gz ZNQXNYPYWAQSEO-MNOVXSKESA-N 2 2 220.320 0.902 20 0 BCADLP C[C@@H]([NH3+])C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000335452281 386527150 /nfs/dbraw/zinc/52/71/50/386527150.db2.gz NDOHBSHLQMEEPD-SECBINFHSA-N 2 2 236.319 0.525 20 0 BCADLP Cc1ccn2cc(CNC(=O)NCC[NH3+])[nH+]c2c1 ZINC000417234396 386464213 /nfs/dbraw/zinc/46/42/13/386464213.db2.gz IUDCOYKIMCSOQB-UHFFFAOYSA-N 2 2 247.302 0.401 20 0 BCADLP C[C@@H](C(N)=O)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266725245 386465813 /nfs/dbraw/zinc/46/58/13/386465813.db2.gz IHAWLWDOWXBQIK-QMMMGPOBSA-N 2 2 222.292 0.463 20 0 BCADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000335413026 386578531 /nfs/dbraw/zinc/57/85/31/386578531.db2.gz SJZCBQMVOKYWOQ-WDEREUQCSA-N 2 2 239.363 0.727 20 0 BCADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000335413026 386578536 /nfs/dbraw/zinc/57/85/36/386578536.db2.gz SJZCBQMVOKYWOQ-WDEREUQCSA-N 2 2 239.363 0.727 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000308633068 386585669 /nfs/dbraw/zinc/58/56/69/386585669.db2.gz ZRXJNVNRCQVMJG-YTWAJWBKSA-N 2 2 200.326 0.950 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000308633068 386585673 /nfs/dbraw/zinc/58/56/73/386585673.db2.gz ZRXJNVNRCQVMJG-YTWAJWBKSA-N 2 2 200.326 0.950 20 0 BCADLP [NH3+]CC1CCC(NCC(F)(F)C[NH3+])CC1 ZINC000414922659 386596434 /nfs/dbraw/zinc/59/64/34/386596434.db2.gz CTYOWPQJZMTTIY-UHFFFAOYSA-N 2 2 221.295 0.688 20 0 BCADLP CC(C)n1nccc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415045657 386531028 /nfs/dbraw/zinc/53/10/28/386531028.db2.gz WLHSDZLRKHMOAV-GDNZZTSVSA-N 2 2 220.320 0.771 20 0 BCADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(C(N)=O)cs1 ZINC000414787398 386535173 /nfs/dbraw/zinc/53/51/73/386535173.db2.gz CIFSSVAZDJRGAG-JTQLQIEISA-N 2 2 241.360 0.920 20 0 BCADLP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@@]1(C)C[NH3+] ZINC000415057638 386537357 /nfs/dbraw/zinc/53/73/57/386537357.db2.gz QMPDMINUEQGIOT-JHJVBQTASA-N 3 2 225.380 0.903 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@@]1(C)C[NH3+] ZINC000415057638 386537370 /nfs/dbraw/zinc/53/73/70/386537370.db2.gz QMPDMINUEQGIOT-JHJVBQTASA-N 3 2 225.380 0.903 20 0 BCADLP C[C@@H]1C[N@H+](CC2(C[NH3+])CC2)C[C@@]1(C)C[NH3+] ZINC000415061128 386541122 /nfs/dbraw/zinc/54/11/22/386541122.db2.gz VWGPARWNIXGESG-GHMZBOCLSA-N 3 2 211.353 0.642 20 0 BCADLP C[C@@H]1C[N@@H+](CC2(C[NH3+])CC2)C[C@@]1(C)C[NH3+] ZINC000415061128 386541124 /nfs/dbraw/zinc/54/11/24/386541124.db2.gz VWGPARWNIXGESG-GHMZBOCLSA-N 3 2 211.353 0.642 20 0 BCADLP [NH3+][C@H]1C[C@@H](C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000335463338 386548699 /nfs/dbraw/zinc/54/86/99/386548699.db2.gz DADDMRDWBPQCOG-PHIMTYICSA-N 2 2 248.330 0.784 20 0 BCADLP [NH3+][C@H]1C[C@@H](C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000335463340 386549126 /nfs/dbraw/zinc/54/91/26/386549126.db2.gz DAROEYVZGNFPKJ-PHIMTYICSA-N 2 2 248.330 0.853 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCN1CCOCC1 ZINC000063196025 386554059 /nfs/dbraw/zinc/55/40/59/386554059.db2.gz QLDZJGCITVNLNU-CHWSQXEVSA-N 2 2 241.379 0.520 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCN1CCOCC1 ZINC000063196025 386554063 /nfs/dbraw/zinc/55/40/63/386554063.db2.gz QLDZJGCITVNLNU-CHWSQXEVSA-N 2 2 241.379 0.520 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCCCN1CC[NH+]1CCOCC1 ZINC000063196025 386554068 /nfs/dbraw/zinc/55/40/68/386554068.db2.gz QLDZJGCITVNLNU-CHWSQXEVSA-N 2 2 241.379 0.520 20 0 BCADLP CCN1C[C@H]([NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)CC1=O ZINC000391648018 386559061 /nfs/dbraw/zinc/55/90/61/386559061.db2.gz VQGIZYFIAIPEIA-TUAOUCFPSA-N 2 2 239.363 0.727 20 0 BCADLP CN(C)c1[nH+]cc(C[N@H+](CCO)C2CC2)n1C ZINC000425324928 386562643 /nfs/dbraw/zinc/56/26/43/386562643.db2.gz LMJBMVDDXUWLLE-UHFFFAOYSA-N 2 2 238.335 0.443 20 0 BCADLP CN(C)c1[nH+]cc(C[N@@H+](CCO)C2CC2)n1C ZINC000425324928 386562651 /nfs/dbraw/zinc/56/26/51/386562651.db2.gz LMJBMVDDXUWLLE-UHFFFAOYSA-N 2 2 238.335 0.443 20 0 BCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415071844 386563958 /nfs/dbraw/zinc/56/39/58/386563958.db2.gz LAATYLDXYGCOLX-QWRGUYRKSA-N 2 2 248.392 0.541 20 0 BCADLP O=C1NCC[C@@H]1[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904044 386567168 /nfs/dbraw/zinc/56/71/68/386567168.db2.gz VJHRPTWLILMQII-WOPDTQHZSA-N 2 2 237.347 0.339 20 0 BCADLP O=C1NCC[C@@H]1[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904044 386567174 /nfs/dbraw/zinc/56/71/74/386567174.db2.gz VJHRPTWLILMQII-WOPDTQHZSA-N 2 2 237.347 0.339 20 0 BCADLP CC(C)Cn1cc[nH+]c1CN[C@@H]1CC[NH2+]C1 ZINC000415111630 386620535 /nfs/dbraw/zinc/62/05/35/386620535.db2.gz RJHXFTKSVDXQAF-LLVKDONJSA-N 2 2 222.336 0.991 20 0 BCADLP c1cn(CCC[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)c[nH+]1 ZINC000425555136 386626794 /nfs/dbraw/zinc/62/67/94/386626794.db2.gz XNVLZHOLYSVYER-LLVKDONJSA-N 2 2 246.318 0.881 20 0 BCADLP c1cn(CCC[N@H+]2CC[C@@H](c3nnc[nH]3)C2)c[nH+]1 ZINC000425555136 386626802 /nfs/dbraw/zinc/62/68/02/386626802.db2.gz XNVLZHOLYSVYER-LLVKDONJSA-N 2 2 246.318 0.881 20 0 BCADLP CCOC(=O)c1ccc(C[NH2+][C@H](C)C[NH3+])o1 ZINC000414924981 386634500 /nfs/dbraw/zinc/63/45/00/386634500.db2.gz HDSRTFPCAXBCSH-MRVPVSSYSA-N 2 2 226.276 0.893 20 0 BCADLP COC[C@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000279128974 386636664 /nfs/dbraw/zinc/63/66/64/386636664.db2.gz VUNATFJMORDKAW-RYUDHWBXSA-N 2 2 239.319 0.667 20 0 BCADLP CO[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336646664 386639771 /nfs/dbraw/zinc/63/97/71/386639771.db2.gz DYCWUPLXUGGYHJ-RYUDHWBXSA-N 2 2 228.336 0.162 20 0 BCADLP CO[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336646664 386639774 /nfs/dbraw/zinc/63/97/74/386639774.db2.gz DYCWUPLXUGGYHJ-RYUDHWBXSA-N 2 2 228.336 0.162 20 0 BCADLP CO[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000336646664 386639777 /nfs/dbraw/zinc/63/97/77/386639777.db2.gz DYCWUPLXUGGYHJ-RYUDHWBXSA-N 2 2 228.336 0.162 20 0 BCADLP CO[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336646664 386639781 /nfs/dbraw/zinc/63/97/81/386639781.db2.gz DYCWUPLXUGGYHJ-RYUDHWBXSA-N 2 2 228.336 0.162 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279241185 386653872 /nfs/dbraw/zinc/65/38/72/386653872.db2.gz SLPCXUJXXCABEA-LBPRGKRZSA-N 2 2 248.330 0.961 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000279241185 386653877 /nfs/dbraw/zinc/65/38/77/386653877.db2.gz SLPCXUJXXCABEA-LBPRGKRZSA-N 2 2 248.330 0.961 20 0 BCADLP C[NH2+]C[C@@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000520225714 386607880 /nfs/dbraw/zinc/60/78/80/386607880.db2.gz QMWKFCVHCVFMHE-SSDOTTSWSA-N 2 2 209.249 0.003 20 0 BCADLP Cn1c[nH+]cc1C[NH2+]C1(C(N)=O)CCCCC1 ZINC000268012987 386609184 /nfs/dbraw/zinc/60/91/84/386609184.db2.gz RXCYWNSSSDRUCU-UHFFFAOYSA-N 2 2 236.319 0.698 20 0 BCADLP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415091683 386611745 /nfs/dbraw/zinc/61/17/45/386611745.db2.gz DAVNFCQOHBZEQP-SNVBAGLBSA-N 2 2 244.335 0.154 20 0 BCADLP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414924049 386612934 /nfs/dbraw/zinc/61/29/34/386612934.db2.gz JKXKWTFNKRIZPJ-QJPTWQEYSA-N 3 2 211.353 0.859 20 0 BCADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c(=O)n1C ZINC000335494273 386614287 /nfs/dbraw/zinc/61/42/87/386614287.db2.gz YDWOZTLVEISWCA-GXFFZTMASA-N 2 2 249.358 0.781 20 0 BCADLP COC(=O)C1(C[NH2+]CC[NH2+]C(C)(C)C)CC1 ZINC000415108788 386617274 /nfs/dbraw/zinc/61/72/74/386617274.db2.gz QLPNWOXVSWTZPI-UHFFFAOYSA-N 2 2 228.336 0.917 20 0 BCADLP CC[C@H](COC)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000414926284 386662341 /nfs/dbraw/zinc/66/23/41/386662341.db2.gz KTQVJYYAQCQOQA-HBNTYKKESA-N 2 2 200.326 0.999 20 0 BCADLP C[NH2+]CC[NH2+]Cc1ccccc1N1CCOCC1 ZINC000414818892 386666831 /nfs/dbraw/zinc/66/68/31/386666831.db2.gz GDDMEIPWEBIQLC-UHFFFAOYSA-N 2 2 249.358 0.832 20 0 BCADLP C[NH2+]CCNCc1c[nH+]c2cccc(C)n12 ZINC000414818715 386667850 /nfs/dbraw/zinc/66/78/50/386667850.db2.gz FUIPRIPUYPJXAS-UHFFFAOYSA-N 2 2 218.304 0.952 20 0 BCADLP C[C@@H](C(N)=O)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337241412 386672998 /nfs/dbraw/zinc/67/29/98/386672998.db2.gz GTWRDMSQUHXKGY-JTQLQIEISA-N 2 2 213.325 0.278 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337241412 386673001 /nfs/dbraw/zinc/67/30/01/386673001.db2.gz GTWRDMSQUHXKGY-JTQLQIEISA-N 2 2 213.325 0.278 20 0 BCADLP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[NH2+]2)c[nH]1 ZINC000414820832 386672851 /nfs/dbraw/zinc/67/28/51/386672851.db2.gz BIGXLSKABLAULM-SNVBAGLBSA-N 2 2 237.303 0.643 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c[nH+]1 ZINC000335481734 386708987 /nfs/dbraw/zinc/70/89/87/386708987.db2.gz YTKYLNOEDUORCR-VXNVDRBHSA-N 2 2 222.292 0.588 20 0 BCADLP Cc1cnc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000357079419 386710286 /nfs/dbraw/zinc/71/02/86/386710286.db2.gz SIGNKJMWPBPJGS-NEPJUHHUSA-N 2 2 232.331 0.826 20 0 BCADLP Cc1cnc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000357079419 386710293 /nfs/dbraw/zinc/71/02/93/386710293.db2.gz SIGNKJMWPBPJGS-NEPJUHHUSA-N 2 2 232.331 0.826 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c[nH+]1 ZINC000335481733 386710359 /nfs/dbraw/zinc/71/03/59/386710359.db2.gz YTKYLNOEDUORCR-IONNQARKSA-N 2 2 222.292 0.588 20 0 BCADLP [NH3+]C1(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCC1 ZINC000335471282 386692232 /nfs/dbraw/zinc/69/22/32/386692232.db2.gz SDJQVBVAJQRYGG-UHFFFAOYSA-N 2 2 248.330 0.997 20 0 BCADLP [NH3+]C1(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCC1 ZINC000335471282 386692242 /nfs/dbraw/zinc/69/22/42/386692242.db2.gz SDJQVBVAJQRYGG-UHFFFAOYSA-N 2 2 248.330 0.997 20 0 BCADLP Cn1c[nH+]cc1CN1CC[NH2+]C[C@@](C)(F)C1 ZINC000335480319 386707527 /nfs/dbraw/zinc/70/75/27/386707527.db2.gz NQGMJBBAAMNFLB-LLVKDONJSA-N 2 2 226.299 0.554 20 0 BCADLP CC[C@@H](C(=O)N(C)Cc1[nH+]ccn1C)[NH+](C)C ZINC000268857851 386707893 /nfs/dbraw/zinc/70/78/93/386707893.db2.gz UVGPECZMWSNCNR-JTQLQIEISA-N 2 2 238.335 0.719 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000414928149 386716964 /nfs/dbraw/zinc/71/69/64/386716964.db2.gz MOVPDGRSCAQHHN-AXFHLTTASA-N 2 2 227.352 0.441 20 0 BCADLP CC1(C)C[NH2+][C@@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000645331322 386717710 /nfs/dbraw/zinc/71/77/10/386717710.db2.gz IMCKVNBOGRRSOD-LLVKDONJSA-N 2 2 248.330 0.608 20 0 BCADLP [NH3+]CCOCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000357105372 386717673 /nfs/dbraw/zinc/71/76/73/386717673.db2.gz ODVKJVCTHQCXLN-LLVKDONJSA-N 3 2 238.335 0.564 20 0 BCADLP [NH3+]CCOCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000357105372 386717680 /nfs/dbraw/zinc/71/76/80/386717680.db2.gz ODVKJVCTHQCXLN-LLVKDONJSA-N 3 2 238.335 0.564 20 0 BCADLP Cn1cc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)nn1 ZINC000414841078 386752489 /nfs/dbraw/zinc/75/24/89/386752489.db2.gz MYTMAZUCFDIPPI-LBPRGKRZSA-N 2 2 237.351 0.812 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)CCn1cncn1 ZINC000269185826 386760490 /nfs/dbraw/zinc/76/04/90/386760490.db2.gz LRFSHPOLJOYUBN-UHFFFAOYSA-N 2 2 234.307 0.497 20 0 BCADLP CC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269240782 386767395 /nfs/dbraw/zinc/76/73/95/386767395.db2.gz JAUYPVDIHPGMHD-ZJUUUORDSA-N 2 2 236.319 0.853 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000647908930 386792111 /nfs/dbraw/zinc/79/21/11/386792111.db2.gz UESUDYOPHCJZAR-LBPRGKRZSA-N 3 2 227.352 0.036 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000647908930 386792116 /nfs/dbraw/zinc/79/21/16/386792116.db2.gz UESUDYOPHCJZAR-LBPRGKRZSA-N 3 2 227.352 0.036 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC(C)(C)C(=O)NC)C1 ZINC000344821725 386780626 /nfs/dbraw/zinc/78/06/26/386780626.db2.gz CAMZSWFCNUEMTJ-WDEREUQCSA-N 2 2 241.379 0.688 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC(C)(C)C(=O)NC)C1 ZINC000344821725 386780633 /nfs/dbraw/zinc/78/06/33/386780633.db2.gz CAMZSWFCNUEMTJ-WDEREUQCSA-N 2 2 241.379 0.688 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC(C)(C)C(=O)NC)C1 ZINC000344821720 386780806 /nfs/dbraw/zinc/78/08/06/386780806.db2.gz CAMZSWFCNUEMTJ-GHMZBOCLSA-N 2 2 241.379 0.688 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC(C)(C)C(=O)NC)C1 ZINC000344821720 386780810 /nfs/dbraw/zinc/78/08/10/386780810.db2.gz CAMZSWFCNUEMTJ-GHMZBOCLSA-N 2 2 241.379 0.688 20 0 BCADLP CCN(CC[NH3+])C(=O)c1ccc2[nH+]ccn2c1 ZINC000638517276 386802807 /nfs/dbraw/zinc/80/28/07/386802807.db2.gz QGSLPDFUJMEADS-UHFFFAOYSA-N 2 2 232.287 0.755 20 0 BCADLP COC[C@]1(C[NH2+]Cc2ccncc2)CCC[NH2+]1 ZINC000414935618 386812907 /nfs/dbraw/zinc/81/29/07/386812907.db2.gz BCZIOAKJQMADIW-CYBMUJFWSA-N 2 2 235.331 0.940 20 0 BCADLP Cc1cccc2[nH+]c(CNC(=O)NCC[NH3+])cn21 ZINC000418002757 386830599 /nfs/dbraw/zinc/83/05/99/386830599.db2.gz ZKACBWQNBOTGJV-UHFFFAOYSA-N 2 2 247.302 0.401 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000357733277 386837363 /nfs/dbraw/zinc/83/73/63/386837363.db2.gz DQFYECHZPAWHOI-MNOVXSKESA-N 2 2 239.363 0.537 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000357733277 386837371 /nfs/dbraw/zinc/83/73/71/386837371.db2.gz DQFYECHZPAWHOI-MNOVXSKESA-N 2 2 239.363 0.537 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CC[C@H]1SC ZINC000425337366 386851383 /nfs/dbraw/zinc/85/13/83/386851383.db2.gz MRLONLUNCFZHMS-GHMZBOCLSA-N 2 2 232.393 0.784 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CC[C@H]1SC ZINC000425337366 386851386 /nfs/dbraw/zinc/85/13/86/386851386.db2.gz MRLONLUNCFZHMS-GHMZBOCLSA-N 2 2 232.393 0.784 20 0 BCADLP C[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C[NH+](C)C ZINC000293642556 386851995 /nfs/dbraw/zinc/85/19/95/386851995.db2.gz DLRGVVYFKSQJOX-YEZKRMTDSA-N 2 2 236.319 0.737 20 0 BCADLP C[C@@H]1C[C@H](O)C[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425347584 386860385 /nfs/dbraw/zinc/86/03/85/386860385.db2.gz YACXYSKLGLMMEC-KOLCDFICSA-N 2 2 238.335 0.441 20 0 BCADLP C[C@@H]1C[C@H](O)C[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425347584 386860388 /nfs/dbraw/zinc/86/03/88/386860388.db2.gz YACXYSKLGLMMEC-KOLCDFICSA-N 2 2 238.335 0.441 20 0 BCADLP C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425347585 386860548 /nfs/dbraw/zinc/86/05/48/386860548.db2.gz YACXYSKLGLMMEC-MWLCHTKSSA-N 2 2 238.335 0.441 20 0 BCADLP C[C@@H]1C[C@@H](O)C[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425347585 386860551 /nfs/dbraw/zinc/86/05/51/386860551.db2.gz YACXYSKLGLMMEC-MWLCHTKSSA-N 2 2 238.335 0.441 20 0 BCADLP C[C@H](C[NH3+])[NH2+]Cc1ccccc1N1CCOCC1 ZINC000414940382 386868936 /nfs/dbraw/zinc/86/89/36/386868936.db2.gz ZXJNIOPWMWFZQZ-GFCCVEGCSA-N 2 2 249.358 0.960 20 0 BCADLP C[C@@H]1C[C@H](C[N@H+]2CC(=O)N(C3CC3)C2)CC[NH2+]1 ZINC000334833865 386872601 /nfs/dbraw/zinc/87/26/01/386872601.db2.gz UHENWRBLNGKTSK-GHMZBOCLSA-N 2 2 237.347 0.639 20 0 BCADLP C[C@@H]1C[C@H](C[N@@H+]2CC(=O)N(C3CC3)C2)CC[NH2+]1 ZINC000334833865 386872607 /nfs/dbraw/zinc/87/26/07/386872607.db2.gz UHENWRBLNGKTSK-GHMZBOCLSA-N 2 2 237.347 0.639 20 0 BCADLP CCOC(=O)c1ccc(C[NH2+][C@@H](C)C[NH3+])o1 ZINC000414940184 386877234 /nfs/dbraw/zinc/87/72/34/386877234.db2.gz HDSRTFPCAXBCSH-QMMMGPOBSA-N 2 2 226.276 0.893 20 0 BCADLP C[C@H](CN1CCCC1=O)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000358024577 386880379 /nfs/dbraw/zinc/88/03/79/386880379.db2.gz RCIWNMQHSRLFHV-UTUOFQBUSA-N 2 2 239.363 0.537 20 0 BCADLP C[C@H](CN1CCCC1=O)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000358024577 386880383 /nfs/dbraw/zinc/88/03/83/386880383.db2.gz RCIWNMQHSRLFHV-UTUOFQBUSA-N 2 2 239.363 0.537 20 0 BCADLP Cc1cn2cc(NC(=O)NCC[NH3+])ccc2[nH+]1 ZINC000334841423 386886134 /nfs/dbraw/zinc/88/61/34/386886134.db2.gz HRAALTWOXUECEG-UHFFFAOYSA-N 2 2 233.275 0.723 20 0 BCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccn1 ZINC000358227252 386915623 /nfs/dbraw/zinc/91/56/23/386915623.db2.gz DHXOEJSBVMDHCC-YPMHNXCESA-N 2 2 235.331 0.799 20 0 BCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccn1 ZINC000358227252 386915627 /nfs/dbraw/zinc/91/56/27/386915627.db2.gz DHXOEJSBVMDHCC-YPMHNXCESA-N 2 2 235.331 0.799 20 0 BCADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCO[C@@H]1C ZINC000358136697 386899501 /nfs/dbraw/zinc/89/95/01/386899501.db2.gz ACPWLCMDVCHKLA-UPJWGTAASA-N 2 2 242.363 0.864 20 0 BCADLP C[C@]1(C[N@@H+]2CCO[C@@H](CF)C2)CC[NH2+]C1 ZINC000334851302 386900057 /nfs/dbraw/zinc/90/00/57/386900057.db2.gz BQWBWXGVKMUQDV-QWRGUYRKSA-N 2 2 216.300 0.656 20 0 BCADLP C[C@]1(C[N@H+]2CCO[C@@H](CF)C2)CC[NH2+]C1 ZINC000334851302 386900060 /nfs/dbraw/zinc/90/00/60/386900060.db2.gz BQWBWXGVKMUQDV-QWRGUYRKSA-N 2 2 216.300 0.656 20 0 BCADLP C[C@@]1(C[N@@H+]2CCO[C@H](CF)C2)CC[NH2+]C1 ZINC000334851287 386900865 /nfs/dbraw/zinc/90/08/65/386900865.db2.gz BQWBWXGVKMUQDV-GHMZBOCLSA-N 2 2 216.300 0.656 20 0 BCADLP C[C@@]1(C[N@H+]2CCO[C@H](CF)C2)CC[NH2+]C1 ZINC000334851287 386900868 /nfs/dbraw/zinc/90/08/68/386900868.db2.gz BQWBWXGVKMUQDV-GHMZBOCLSA-N 2 2 216.300 0.656 20 0 BCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccnc1 ZINC000358259811 386922011 /nfs/dbraw/zinc/92/20/11/386922011.db2.gz UYYHMJMZPWBIBQ-DGCLKSJQSA-N 2 2 235.331 0.799 20 0 BCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccnc1 ZINC000358259811 386922015 /nfs/dbraw/zinc/92/20/15/386922015.db2.gz UYYHMJMZPWBIBQ-DGCLKSJQSA-N 2 2 235.331 0.799 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[NH+](C)C2)CC[N@@H+]1C ZINC000358259723 386922207 /nfs/dbraw/zinc/92/22/07/386922207.db2.gz USEWWZSHMVCCSK-JHJVBQTASA-N 3 2 241.379 0.125 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[NH+](C)C2)CC[N@H+]1C ZINC000358259723 386922212 /nfs/dbraw/zinc/92/22/12/386922212.db2.gz USEWWZSHMVCCSK-JHJVBQTASA-N 3 2 241.379 0.125 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)CC[NH+]1C ZINC000358259723 386922215 /nfs/dbraw/zinc/92/22/15/386922215.db2.gz USEWWZSHMVCCSK-JHJVBQTASA-N 3 2 241.379 0.125 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC[NH+]1C ZINC000358259723 386922217 /nfs/dbraw/zinc/92/22/17/386922217.db2.gz USEWWZSHMVCCSK-JHJVBQTASA-N 3 2 241.379 0.125 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccnn1C ZINC000334865441 386922553 /nfs/dbraw/zinc/92/25/53/386922553.db2.gz SZNJDTUXAKHLMJ-KOLCDFICSA-N 2 2 208.309 0.508 20 0 BCADLP [NH3+][C@H]1CCC[N@H+](CCC(=O)Nc2cccnc2)C1 ZINC000358319319 386932034 /nfs/dbraw/zinc/93/20/34/386932034.db2.gz HPELUFMSAUAYRY-NSHDSACASA-N 2 2 248.330 0.833 20 0 BCADLP [NH3+][C@H]1CCC[N@@H+](CCC(=O)Nc2cccnc2)C1 ZINC000358319319 386932039 /nfs/dbraw/zinc/93/20/39/386932039.db2.gz HPELUFMSAUAYRY-NSHDSACASA-N 2 2 248.330 0.833 20 0 BCADLP C[C@@]1(C[NH2+][C@@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000334873130 386932272 /nfs/dbraw/zinc/93/22/72/386932272.db2.gz HENIRLDLVKULQV-VXGBXAGGSA-N 3 2 211.353 0.718 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000335835054 386933970 /nfs/dbraw/zinc/93/39/70/386933970.db2.gz HWHCWWNPWRYKBA-SNVBAGLBSA-N 2 2 236.319 0.330 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000335835054 386933974 /nfs/dbraw/zinc/93/39/74/386933974.db2.gz HWHCWWNPWRYKBA-SNVBAGLBSA-N 2 2 236.319 0.330 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H]1COC(C)(C)C1 ZINC000418016940 386936471 /nfs/dbraw/zinc/93/64/71/386936471.db2.gz XLJJIBRGGNXEHP-LLVKDONJSA-N 2 2 230.352 0.458 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H]1COC(C)(C)C1 ZINC000418016940 386936476 /nfs/dbraw/zinc/93/64/76/386936476.db2.gz XLJJIBRGGNXEHP-LLVKDONJSA-N 2 2 230.352 0.458 20 0 BCADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000332014264 386941056 /nfs/dbraw/zinc/94/10/56/386941056.db2.gz PZTSTOAHMCMOPG-QJPTWQEYSA-N 3 2 213.369 0.947 20 0 BCADLP C[C@H]1CC[N@H+](Cc2cc[nH]n2)C[C@@H]1C[NH3+] ZINC000334818302 386945846 /nfs/dbraw/zinc/94/58/46/386945846.db2.gz CNHHIUJEORMNER-UWVGGRQHSA-N 2 2 208.309 0.826 20 0 BCADLP C[C@H]1CC[N@@H+](Cc2cc[nH]n2)C[C@@H]1C[NH3+] ZINC000334818302 386945850 /nfs/dbraw/zinc/94/58/50/386945850.db2.gz CNHHIUJEORMNER-UWVGGRQHSA-N 2 2 208.309 0.826 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000334822414 386952647 /nfs/dbraw/zinc/95/26/47/386952647.db2.gz SHJGKFDBJPZCDU-CABZTGNLSA-N 2 2 248.330 0.931 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)NCC1([NH3+])CCC1 ZINC000334821857 386952940 /nfs/dbraw/zinc/95/29/40/386952940.db2.gz MXGUENLPBBGLRY-UHFFFAOYSA-N 2 2 234.303 0.815 20 0 BCADLP O=C(C1C[NH2+]C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000368350722 386965410 /nfs/dbraw/zinc/96/54/10/386965410.db2.gz YXSXTTYNARYDAT-JTQLQIEISA-N 2 2 234.303 0.683 20 0 BCADLP CC[C@@H](NC[C@@H](O)C[NH+](C)C)c1[nH+]ccn1C ZINC000341696352 386952189 /nfs/dbraw/zinc/95/21/89/386952189.db2.gz DZZVPTIPGXCUTK-GHMZBOCLSA-N 2 2 240.351 0.383 20 0 BCADLP C[NH+](C)CCCCC(=O)NCc1[nH]cc[nH+]1 ZINC000582996564 387041145 /nfs/dbraw/zinc/04/11/45/387041145.db2.gz UGQTVOSYLDRVQA-UHFFFAOYSA-N 2 2 224.308 0.758 20 0 BCADLP Cc1cc(C)c(CNC(=O)N[C@H]2CC[NH2+]C2)c[nH+]1 ZINC000334964056 387045676 /nfs/dbraw/zinc/04/56/76/387045676.db2.gz IVJIVDXBBCZFGU-LBPRGKRZSA-N 2 2 248.330 0.860 20 0 BCADLP CO[C@@H]1CC[N@H+](CCOCC2CC2)[C@H](C[NH3+])C1 ZINC000359050187 387050608 /nfs/dbraw/zinc/05/06/08/387050608.db2.gz XZJSWHHZXNWWEV-QWHCGFSZSA-N 2 2 242.363 0.851 20 0 BCADLP CO[C@@H]1CC[N@@H+](CCOCC2CC2)[C@H](C[NH3+])C1 ZINC000359050187 387050611 /nfs/dbraw/zinc/05/06/11/387050611.db2.gz XZJSWHHZXNWWEV-QWHCGFSZSA-N 2 2 242.363 0.851 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000336764560 387059496 /nfs/dbraw/zinc/05/94/96/387059496.db2.gz QGHBVFXSRXCCNF-RKDXNWHRSA-N 2 2 213.325 0.323 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000336764560 387059498 /nfs/dbraw/zinc/05/94/98/387059498.db2.gz QGHBVFXSRXCCNF-RKDXNWHRSA-N 2 2 213.325 0.323 20 0 BCADLP C[C@@H]1CC[C@H](O)C[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000399487087 387017869 /nfs/dbraw/zinc/01/78/69/387017869.db2.gz RWWLWJKVQGYDAK-KGYLQXTDSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@@H]1CC[C@H](O)C[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000399487087 387017872 /nfs/dbraw/zinc/01/78/72/387017872.db2.gz RWWLWJKVQGYDAK-KGYLQXTDSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@@H]1CC[C@H](O)C[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000399487087 387017875 /nfs/dbraw/zinc/01/78/75/387017875.db2.gz RWWLWJKVQGYDAK-KGYLQXTDSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@@H]1CC[C@H](O)C[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000399487087 387017877 /nfs/dbraw/zinc/01/78/77/387017877.db2.gz RWWLWJKVQGYDAK-KGYLQXTDSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCC[C@H]1O ZINC000333245403 387022931 /nfs/dbraw/zinc/02/29/31/387022931.db2.gz FPXJPKZTPXDHIM-ZDEQEGDKSA-N 2 2 242.363 0.504 20 0 BCADLP Cc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)n(C)n1 ZINC000334952544 387029566 /nfs/dbraw/zinc/02/95/66/387029566.db2.gz ZYMNNTFTWIYCOO-TXEJJXNPSA-N 2 2 234.347 0.722 20 0 BCADLP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)n(C)n1 ZINC000334952544 387029570 /nfs/dbraw/zinc/02/95/70/387029570.db2.gz ZYMNNTFTWIYCOO-TXEJJXNPSA-N 2 2 234.347 0.722 20 0 BCADLP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)n(C)n1 ZINC000334952544 387029576 /nfs/dbraw/zinc/02/95/76/387029576.db2.gz ZYMNNTFTWIYCOO-TXEJJXNPSA-N 2 2 234.347 0.722 20 0 BCADLP Cc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)n(C)n1 ZINC000334952544 387029580 /nfs/dbraw/zinc/02/95/80/387029580.db2.gz ZYMNNTFTWIYCOO-TXEJJXNPSA-N 2 2 234.347 0.722 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCC2CC2)C1 ZINC000111695687 387085434 /nfs/dbraw/zinc/08/54/34/387085434.db2.gz CVHYDVRJHQMMIE-JQWIXIFHSA-N 2 2 239.363 0.572 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000111695687 387085448 /nfs/dbraw/zinc/08/54/48/387085448.db2.gz CVHYDVRJHQMMIE-JQWIXIFHSA-N 2 2 239.363 0.572 20 0 BCADLP COC(=O)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000359457987 387105694 /nfs/dbraw/zinc/10/56/94/387105694.db2.gz JZVNUAPKIAUTMW-AOOOYVTPSA-N 2 2 249.314 0.453 20 0 BCADLP COC(=O)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000359457987 387105696 /nfs/dbraw/zinc/10/56/96/387105696.db2.gz JZVNUAPKIAUTMW-AOOOYVTPSA-N 2 2 249.314 0.453 20 0 BCADLP Cc1cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)n(C)n1 ZINC000335028341 387121705 /nfs/dbraw/zinc/12/17/05/387121705.db2.gz IHCSMLHPPWHTOE-SKDRFNHKSA-N 2 2 222.336 0.816 20 0 BCADLP C/C=C/C[C@H](CO)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336766961 387128192 /nfs/dbraw/zinc/12/81/92/387128192.db2.gz SPXXHSSOLIGTJM-VWLQNONNSA-N 2 2 212.337 0.853 20 0 BCADLP C/C=C/C[C@H](CO)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336766961 387128194 /nfs/dbraw/zinc/12/81/94/387128194.db2.gz SPXXHSSOLIGTJM-VWLQNONNSA-N 2 2 212.337 0.853 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)[C@@]1(CO)CCOC1 ZINC000359594855 387129991 /nfs/dbraw/zinc/12/99/91/387129991.db2.gz DZTKUWCNYAMUQA-GFCCVEGCSA-N 2 2 239.319 0.356 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@]1(CO)CCOC1 ZINC000359594855 387129996 /nfs/dbraw/zinc/12/99/96/387129996.db2.gz DZTKUWCNYAMUQA-GFCCVEGCSA-N 2 2 239.319 0.356 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)[C@]1(CO)CCOC1 ZINC000359594856 387130147 /nfs/dbraw/zinc/13/01/47/387130147.db2.gz DZTKUWCNYAMUQA-LBPRGKRZSA-N 2 2 239.319 0.356 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)[C@]1(CO)CCOC1 ZINC000359594856 387130151 /nfs/dbraw/zinc/13/01/51/387130151.db2.gz DZTKUWCNYAMUQA-LBPRGKRZSA-N 2 2 239.319 0.356 20 0 BCADLP CCn1ncnc1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000229599426 387187888 /nfs/dbraw/zinc/18/78/88/387187888.db2.gz BWJIRUUGZIJAEU-WDEREUQCSA-N 2 2 237.351 0.728 20 0 BCADLP CCn1ncnc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000229599426 387187892 /nfs/dbraw/zinc/18/78/92/387187892.db2.gz BWJIRUUGZIJAEU-WDEREUQCSA-N 2 2 237.351 0.728 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1NCC(F)(F)C[NH3+] ZINC000423338718 387187997 /nfs/dbraw/zinc/18/79/97/387187997.db2.gz ILEPLAWHHBSIFI-YUMQZZPRSA-N 2 2 207.268 0.120 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1NCC(F)(F)C[NH3+] ZINC000423338718 387188000 /nfs/dbraw/zinc/18/80/00/387188000.db2.gz ILEPLAWHHBSIFI-YUMQZZPRSA-N 2 2 207.268 0.120 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCOC(C)(C)[C@@H]1C ZINC000571937234 387202791 /nfs/dbraw/zinc/20/27/91/387202791.db2.gz PSILQMWVRJBXCE-RYUDHWBXSA-N 2 2 244.379 0.798 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCOC(C)(C)[C@@H]1C ZINC000571937234 387202798 /nfs/dbraw/zinc/20/27/98/387202798.db2.gz PSILQMWVRJBXCE-RYUDHWBXSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000571937234 387202806 /nfs/dbraw/zinc/20/28/06/387202806.db2.gz PSILQMWVRJBXCE-RYUDHWBXSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000571937234 387202813 /nfs/dbraw/zinc/20/28/13/387202813.db2.gz PSILQMWVRJBXCE-RYUDHWBXSA-N 2 2 244.379 0.798 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCOC(C)(C)[C@H]1C ZINC000571937232 387204006 /nfs/dbraw/zinc/20/40/06/387204006.db2.gz PSILQMWVRJBXCE-NEPJUHHUSA-N 2 2 244.379 0.798 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCOC(C)(C)[C@H]1C ZINC000571937232 387204012 /nfs/dbraw/zinc/20/40/12/387204012.db2.gz PSILQMWVRJBXCE-NEPJUHHUSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000571937232 387204017 /nfs/dbraw/zinc/20/40/17/387204017.db2.gz PSILQMWVRJBXCE-NEPJUHHUSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000571937232 387204020 /nfs/dbraw/zinc/20/40/20/387204020.db2.gz PSILQMWVRJBXCE-NEPJUHHUSA-N 2 2 244.379 0.798 20 0 BCADLP COC[C@H](O)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000300409752 387205780 /nfs/dbraw/zinc/20/57/80/387205780.db2.gz SMGCIBDGQJKOLF-DMDPSCGWSA-N 2 2 242.363 0.599 20 0 BCADLP COC[C@H](O)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000300409752 387205783 /nfs/dbraw/zinc/20/57/83/387205783.db2.gz SMGCIBDGQJKOLF-DMDPSCGWSA-N 2 2 242.363 0.599 20 0 BCADLP CC[C@H](Cn1cncn1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423355950 387208485 /nfs/dbraw/zinc/20/84/85/387208485.db2.gz GBJVKQLZAAWCGH-IJLUTSLNSA-N 2 2 237.351 0.644 20 0 BCADLP C[NH+](C)C/C=C/C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371447935 387213721 /nfs/dbraw/zinc/21/37/21/387213721.db2.gz PCWSMOGTXQGONE-HMDXOVGESA-N 2 2 248.330 0.501 20 0 BCADLP C[NH+](C)CC=CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371447935 387213727 /nfs/dbraw/zinc/21/37/27/387213727.db2.gz PCWSMOGTXQGONE-HMDXOVGESA-N 2 2 248.330 0.501 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)C1CC(O)C1 ZINC000353500408 387217668 /nfs/dbraw/zinc/21/76/68/387217668.db2.gz XZRCEPLFDHHVLF-UHFFFAOYSA-N 2 2 209.293 0.728 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)C1CC(O)C1 ZINC000353500408 387217670 /nfs/dbraw/zinc/21/76/70/387217670.db2.gz XZRCEPLFDHHVLF-UHFFFAOYSA-N 2 2 209.293 0.728 20 0 BCADLP CN(C)C(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000096981705 387232674 /nfs/dbraw/zinc/23/26/74/387232674.db2.gz WNWYYHAPALKUPK-LBPRGKRZSA-N 2 2 241.379 0.881 20 0 BCADLP CN(C)C(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000096981705 387232675 /nfs/dbraw/zinc/23/26/75/387232675.db2.gz WNWYYHAPALKUPK-LBPRGKRZSA-N 2 2 241.379 0.881 20 0 BCADLP CN(C)C(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000096981705 387232679 /nfs/dbraw/zinc/23/26/79/387232679.db2.gz WNWYYHAPALKUPK-LBPRGKRZSA-N 2 2 241.379 0.881 20 0 BCADLP CN(C)C(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000096981705 387232682 /nfs/dbraw/zinc/23/26/82/387232682.db2.gz WNWYYHAPALKUPK-LBPRGKRZSA-N 2 2 241.379 0.881 20 0 BCADLP COc1cc[nH+]cc1NC(=O)C1(C)C[NH2+]C1 ZINC000423399892 387236102 /nfs/dbraw/zinc/23/61/02/387236102.db2.gz VFUIBMUFRNLBQV-UHFFFAOYSA-N 2 2 221.260 0.638 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)C[NH+](C)C ZINC000371662936 387236683 /nfs/dbraw/zinc/23/66/83/387236683.db2.gz AZGPOQNLCDIKJC-JTQLQIEISA-N 2 2 236.319 0.645 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000423374842 387253978 /nfs/dbraw/zinc/25/39/78/387253978.db2.gz TZJPVGXUNAJLLP-KXNHARMFSA-N 3 2 211.353 0.844 20 0 BCADLP COC[C@]1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCC[NH2+]1 ZINC000423416542 387247884 /nfs/dbraw/zinc/24/78/84/387247884.db2.gz QXMJNIFWMPFBLX-YNEHKIRRSA-N 3 2 241.379 0.472 20 0 BCADLP C[C@H](C[NH3+])CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000572136634 387248999 /nfs/dbraw/zinc/24/89/99/387248999.db2.gz JFRODCWGOPXFKC-MRVPVSSYSA-N 2 2 225.296 0.146 20 0 BCADLP C[C@H](C[NH3+])CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000572136634 387249005 /nfs/dbraw/zinc/24/90/05/387249005.db2.gz JFRODCWGOPXFKC-MRVPVSSYSA-N 2 2 225.296 0.146 20 0 BCADLP COC[C@]1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CCC[NH2+]1 ZINC000423416539 387249286 /nfs/dbraw/zinc/24/92/86/387249286.db2.gz QXMJNIFWMPFBLX-FRRDWIJNSA-N 3 2 241.379 0.472 20 0 BCADLP CC[NH+]1CCC([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC000229725770 387195328 /nfs/dbraw/zinc/19/53/28/387195328.db2.gz OMCVSKPRSPXNBV-NSHDSACASA-N 2 2 225.336 0.291 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423348327 387199657 /nfs/dbraw/zinc/19/96/57/387199657.db2.gz SZHDHBOLPHXHHA-AGIUHOORSA-N 3 2 225.380 0.964 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000423348625 387200392 /nfs/dbraw/zinc/20/03/92/387200392.db2.gz UOOWMPGTBVPLLV-WCQYABFASA-N 2 2 223.364 0.836 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000423348625 387200396 /nfs/dbraw/zinc/20/03/96/387200396.db2.gz UOOWMPGTBVPLLV-WCQYABFASA-N 3 2 223.364 0.836 20 0 BCADLP C[C@H]1C[C@H](NCC(F)(F)C[NH3+])C[N@@H+]1C1CC1 ZINC000423350584 387202039 /nfs/dbraw/zinc/20/20/39/387202039.db2.gz ZTYGATIIRQFUHB-IUCAKERBSA-N 2 2 233.306 0.795 20 0 BCADLP C[C@H]1C[C@H](NCC(F)(F)C[NH3+])C[N@H+]1C1CC1 ZINC000423350584 387202043 /nfs/dbraw/zinc/20/20/43/387202043.db2.gz ZTYGATIIRQFUHB-IUCAKERBSA-N 2 2 233.306 0.795 20 0 BCADLP c1cnn(CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000514986715 387319128 /nfs/dbraw/zinc/31/91/28/387319128.db2.gz ZOMKDPJRYOSYHM-UHFFFAOYSA-N 2 2 246.318 0.428 20 0 BCADLP C[C@@H]([NH2+]CC(=O)NCC1CC1)[C@@H]1CCCC[NH2+]1 ZINC000393062193 387315295 /nfs/dbraw/zinc/31/52/95/387315295.db2.gz QCGMTWPOLBSJJK-PWSUYJOCSA-N 2 2 239.363 0.633 20 0 BCADLP Nc1ccc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)c[nH+]1 ZINC000188184973 387256144 /nfs/dbraw/zinc/25/61/44/387256144.db2.gz LOLYFTGCVZODCD-POYBYMJQSA-N 2 2 224.239 0.302 20 0 BCADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1cn[nH]c1 ZINC000648643909 387271855 /nfs/dbraw/zinc/27/18/55/387271855.db2.gz OLSLMAOBGFCOGX-LBPRGKRZSA-N 2 2 238.335 0.346 20 0 BCADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423391268 387276299 /nfs/dbraw/zinc/27/62/99/387276299.db2.gz KQQFMJGFNQOTDP-USZNOCQGSA-N 3 2 211.353 0.572 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423391281 387276771 /nfs/dbraw/zinc/27/67/71/387276771.db2.gz KQQFMJGFNQOTDP-WYUUTHIRSA-N 3 2 211.353 0.572 20 0 BCADLP CC[NH2+]CCC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000643499228 387285997 /nfs/dbraw/zinc/28/59/97/387285997.db2.gz LOHAVVMUYDEGQL-NEPJUHHUSA-N 3 2 229.368 0.343 20 0 BCADLP CC(C)[NH2+]CCC(=O)Nc1cc[nH+]cc1O ZINC000514860994 387297334 /nfs/dbraw/zinc/29/73/34/387297334.db2.gz TWVHCUSXYKHBKN-UHFFFAOYSA-N 2 2 223.276 0.536 20 0 BCADLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)C(C)C ZINC000423522991 387354775 /nfs/dbraw/zinc/35/47/75/387354775.db2.gz MQDBNLXYKPYUFR-QWRGUYRKSA-N 2 2 200.326 0.999 20 0 BCADLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)C(C)C ZINC000423522989 387355286 /nfs/dbraw/zinc/35/52/86/387355286.db2.gz MQDBNLXYKPYUFR-GHMZBOCLSA-N 2 2 200.326 0.999 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccco1 ZINC000423527584 387356902 /nfs/dbraw/zinc/35/69/02/387356902.db2.gz RYPICNWBTUTLOT-VHSXEESVSA-N 2 2 210.277 0.919 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC(C(C)(C)O)C1 ZINC000515432660 387379143 /nfs/dbraw/zinc/37/91/43/387379143.db2.gz IUASIWBMNGMCTJ-LBPRGKRZSA-N 2 2 244.379 0.390 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC(C(C)(C)O)C1 ZINC000515432660 387379148 /nfs/dbraw/zinc/37/91/48/387379148.db2.gz IUASIWBMNGMCTJ-LBPRGKRZSA-N 2 2 244.379 0.390 20 0 BCADLP COC[C@H](O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000360700936 387339841 /nfs/dbraw/zinc/33/98/41/387339841.db2.gz VJZPBUSMTQVYMW-LLVKDONJSA-N 2 2 239.319 0.596 20 0 BCADLP C[C@H]1CN(C)C[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000309801155 387340457 /nfs/dbraw/zinc/34/04/57/387340457.db2.gz RFQLRGJTVSJTLW-JQWIXIFHSA-N 2 2 222.336 0.502 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000309801155 387340460 /nfs/dbraw/zinc/34/04/60/387340460.db2.gz RFQLRGJTVSJTLW-JQWIXIFHSA-N 3 2 222.336 0.502 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000309801155 387340464 /nfs/dbraw/zinc/34/04/64/387340464.db2.gz RFQLRGJTVSJTLW-JQWIXIFHSA-N 3 2 222.336 0.502 20 0 BCADLP Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423504955 387343443 /nfs/dbraw/zinc/34/34/43/387343443.db2.gz GHCQDSGJHLJONT-STQMWFEESA-N 2 2 248.374 0.944 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)C(C)(C)C ZINC000423514649 387351170 /nfs/dbraw/zinc/35/11/70/387351170.db2.gz DPDRNOLZWHHQHR-ZJUUUORDSA-N 2 2 200.326 0.999 20 0 BCADLP C[C@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)[NH+](C)C ZINC000360821718 387353465 /nfs/dbraw/zinc/35/34/65/387353465.db2.gz ZWJUPCFBCIBKSU-SFYZADRCSA-N 2 2 235.278 0.050 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)[C@H]1CCC[C@@H]1O ZINC000352661886 387425487 /nfs/dbraw/zinc/42/54/87/387425487.db2.gz ZLZIFFZQOKJWGB-QWRGUYRKSA-N 2 2 209.293 0.728 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)[C@H]1CCC[C@@H]1O ZINC000352661886 387425489 /nfs/dbraw/zinc/42/54/89/387425489.db2.gz ZLZIFFZQOKJWGB-QWRGUYRKSA-N 2 2 209.293 0.728 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC(=O)NC1CCCC1 ZINC000643469803 387428867 /nfs/dbraw/zinc/42/88/67/387428867.db2.gz UBIOUUHGUKIVPP-PWSUYJOCSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH+](C)C ZINC000515864482 387431587 /nfs/dbraw/zinc/43/15/87/387431587.db2.gz DVVIYIZCSXRUSV-VIFPVBQESA-N 2 2 224.308 0.266 20 0 BCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH+](C)C ZINC000515864482 387431593 /nfs/dbraw/zinc/43/15/93/387431593.db2.gz DVVIYIZCSXRUSV-VIFPVBQESA-N 2 2 224.308 0.266 20 0 BCADLP C[C@@H](O)CCC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000354902840 387444978 /nfs/dbraw/zinc/44/49/78/387444978.db2.gz XOJOQPLDFRAFMJ-GFCCVEGCSA-N 2 2 244.379 0.536 20 0 BCADLP C[C@@H](O)CCC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000354902840 387444985 /nfs/dbraw/zinc/44/49/85/387444985.db2.gz XOJOQPLDFRAFMJ-GFCCVEGCSA-N 2 2 244.379 0.536 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000521446764 387447954 /nfs/dbraw/zinc/44/79/54/387447954.db2.gz NXIPPDFLBMMYPJ-IVZWLZJFSA-N 2 2 216.350 0.540 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000521446764 387447959 /nfs/dbraw/zinc/44/79/59/387447959.db2.gz NXIPPDFLBMMYPJ-IVZWLZJFSA-N 2 2 216.350 0.540 20 0 BCADLP [NH3+][C@H](C(=O)N1CCC[C@@H]([NH3+])C1)c1cscn1 ZINC000515483534 387386662 /nfs/dbraw/zinc/38/66/62/387386662.db2.gz RTEHJCBIEDKEMA-APPZFPTMSA-N 2 2 240.332 0.093 20 0 BCADLP CC[C@@H](O)CC[NH2+]Cc1c[nH+]c(C)n1C ZINC000515500322 387390818 /nfs/dbraw/zinc/39/08/18/387390818.db2.gz KTGLSZFHYZQNPF-LLVKDONJSA-N 2 2 211.309 0.979 20 0 BCADLP Cc1[nH]c(C(=O)NCCC[C@@H]2CCC[NH2+]2)c[nH+]1 ZINC000423705013 387401438 /nfs/dbraw/zinc/40/14/38/387401438.db2.gz NUKYBXOFQHOLHY-JTQLQIEISA-N 2 2 236.319 0.980 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000373890092 387401586 /nfs/dbraw/zinc/40/15/86/387401586.db2.gz CNJMGWYCKPZGEK-DJLDLDEBSA-N 2 2 247.289 0.240 20 0 BCADLP COC(=O)CC[N@H+](C[C@H](C)[NH3+])C[C@@H]1CCCO1 ZINC000515649563 387414404 /nfs/dbraw/zinc/41/44/04/387414404.db2.gz FXTDJBIWDFUTQM-QWRGUYRKSA-N 2 2 244.335 0.378 20 0 BCADLP COC(=O)CC[N@@H+](C[C@H](C)[NH3+])C[C@@H]1CCCO1 ZINC000515649563 387414410 /nfs/dbraw/zinc/41/44/10/387414410.db2.gz FXTDJBIWDFUTQM-QWRGUYRKSA-N 2 2 244.335 0.378 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000192741336 387531883 /nfs/dbraw/zinc/53/18/83/387531883.db2.gz LKEPTKZGRUTDAV-NWDGAFQWSA-N 2 2 230.352 0.315 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000192741336 387531887 /nfs/dbraw/zinc/53/18/87/387531887.db2.gz LKEPTKZGRUTDAV-NWDGAFQWSA-N 2 2 230.352 0.315 20 0 BCADLP COC[C@@H]([NH2+]CC[NH2+]C1CC1)C(C)C ZINC000643506849 387463983 /nfs/dbraw/zinc/46/39/83/387463983.db2.gz KDHQYROTQGTUED-LLVKDONJSA-N 2 2 200.326 0.999 20 0 BCADLP CSC1(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000304363897 387471003 /nfs/dbraw/zinc/47/10/03/387471003.db2.gz ZBQASWCWFALSMR-LLVKDONJSA-N 2 2 243.420 0.717 20 0 BCADLP CSC1(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000304363897 387471007 /nfs/dbraw/zinc/47/10/07/387471007.db2.gz ZBQASWCWFALSMR-LLVKDONJSA-N 2 2 243.420 0.717 20 0 BCADLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643508039 387481493 /nfs/dbraw/zinc/48/14/93/387481493.db2.gz CYADGTYXHGNYFQ-JQWIXIFHSA-N 3 2 211.353 0.716 20 0 BCADLP [NH3+]C[C@H]1CCCN1CCC[NH+]1CCOCC1 ZINC000430548955 387628116 /nfs/dbraw/zinc/62/81/16/387628116.db2.gz WWIZIASMEODSDU-GFCCVEGCSA-N 2 2 227.352 0.132 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+]1CCCN1CCOCC1 ZINC000430548955 387628120 /nfs/dbraw/zinc/62/81/20/387628120.db2.gz WWIZIASMEODSDU-GFCCVEGCSA-N 2 2 227.352 0.132 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+]1CCCN1CCOCC1 ZINC000430548955 387628123 /nfs/dbraw/zinc/62/81/23/387628123.db2.gz WWIZIASMEODSDU-GFCCVEGCSA-N 2 2 227.352 0.132 20 0 BCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCO)C1 ZINC000123645710 387589567 /nfs/dbraw/zinc/58/95/67/387589567.db2.gz KKULTBFRUQDPEY-NSHDSACASA-N 2 2 223.320 0.667 20 0 BCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCO)C1 ZINC000123645710 387589572 /nfs/dbraw/zinc/58/95/72/387589572.db2.gz KKULTBFRUQDPEY-NSHDSACASA-N 2 2 223.320 0.667 20 0 BCADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@H](O)C2)n1C ZINC000362282349 387592866 /nfs/dbraw/zinc/59/28/66/387592866.db2.gz GKXJKABZNWPTOR-JTQLQIEISA-N 2 2 224.308 0.053 20 0 BCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@H](O)C2)n1C ZINC000362282349 387592870 /nfs/dbraw/zinc/59/28/70/387592870.db2.gz GKXJKABZNWPTOR-JTQLQIEISA-N 2 2 224.308 0.053 20 0 BCADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC000122721078 387592954 /nfs/dbraw/zinc/59/29/54/387592954.db2.gz GVLFYSNFAOKPCA-JQWIXIFHSA-N 2 2 222.336 0.850 20 0 BCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC000122721078 387592957 /nfs/dbraw/zinc/59/29/57/387592957.db2.gz GVLFYSNFAOKPCA-JQWIXIFHSA-N 2 2 222.336 0.850 20 0 BCADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422687714 387612736 /nfs/dbraw/zinc/61/27/36/387612736.db2.gz BYKASLQYIHTPCT-UPJWGTAASA-N 3 2 225.380 0.916 20 0 BCADLP CC[N@H+]1CC[C@H](C[NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422687714 387612742 /nfs/dbraw/zinc/61/27/42/387612742.db2.gz BYKASLQYIHTPCT-UPJWGTAASA-N 3 2 225.380 0.916 20 0 BCADLP CN(C(=O)C[NH2+][C@](C)(C[NH3+])C1CC1)C1CC1 ZINC000430588428 387629407 /nfs/dbraw/zinc/62/94/07/387629407.db2.gz ZDZDLQAGMPUPRY-GFCCVEGCSA-N 2 2 225.336 0.324 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000305593618 387615209 /nfs/dbraw/zinc/61/52/09/387615209.db2.gz XHXJWJPGOICCQI-CYBMUJFWSA-N 2 2 239.363 0.588 20 0 BCADLP CCCCNC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000305593618 387615211 /nfs/dbraw/zinc/61/52/11/387615211.db2.gz XHXJWJPGOICCQI-CYBMUJFWSA-N 2 2 239.363 0.588 20 0 BCADLP C[C@@H]1C[C@@H]1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422698887 387616037 /nfs/dbraw/zinc/61/60/37/387616037.db2.gz BPZJBOGLVOQYCB-XEZLXBQYSA-N 2 2 224.348 0.999 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000361881897 387549448 /nfs/dbraw/zinc/54/94/48/387549448.db2.gz XZNNQMBZESVLPK-JHJVBQTASA-N 2 2 244.379 0.968 20 0 BCADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccncc1 ZINC000037889164 387567792 /nfs/dbraw/zinc/56/77/92/387567792.db2.gz ZLEUIBUOCKWFFF-JQWIXIFHSA-N 2 2 223.320 0.655 20 0 BCADLP CCOCCNC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430549218 387627703 /nfs/dbraw/zinc/62/77/03/387627703.db2.gz IAYJZDKMZIACFL-GFCCVEGCSA-N 2 2 245.367 0.102 20 0 BCADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cncc(F)c1 ZINC000305171233 387569414 /nfs/dbraw/zinc/56/94/14/387569414.db2.gz ZVUMWVLVIPLMGD-CABZTGNLSA-N 2 2 241.310 0.794 20 0 BCADLP CC(C)[N@H+](CC[C@@H]1CCC[NH+]1C)CC(N)=O ZINC000124745813 387630407 /nfs/dbraw/zinc/63/04/07/387630407.db2.gz CVDFLWKGISXOTP-NSHDSACASA-N 2 2 227.352 0.666 20 0 BCADLP CC(C)[N@@H+](CC[C@@H]1CCC[NH+]1C)CC(N)=O ZINC000124745813 387630412 /nfs/dbraw/zinc/63/04/12/387630412.db2.gz CVDFLWKGISXOTP-NSHDSACASA-N 2 2 227.352 0.666 20 0 BCADLP CC(C)[NH+](CC[C@@H]1CCC[N@@H+]1C)CC(N)=O ZINC000124745813 387630417 /nfs/dbraw/zinc/63/04/17/387630417.db2.gz CVDFLWKGISXOTP-NSHDSACASA-N 2 2 227.352 0.666 20 0 BCADLP CC(C)[NH+](CC[C@@H]1CCC[N@H+]1C)CC(N)=O ZINC000124745813 387630420 /nfs/dbraw/zinc/63/04/20/387630420.db2.gz CVDFLWKGISXOTP-NSHDSACASA-N 2 2 227.352 0.666 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCN1CCSCC1 ZINC000422718039 387631317 /nfs/dbraw/zinc/63/13/17/387631317.db2.gz WQWFFDUFYXWYLE-VXGBXAGGSA-N 2 2 243.420 0.623 20 0 BCADLP C[C@@H](C[N@H+](C)C1CC[NH2+]CC1)CS(C)(=O)=O ZINC000430620268 387635340 /nfs/dbraw/zinc/63/53/40/387635340.db2.gz BAKBQIKLZCSLBH-JTQLQIEISA-N 2 2 248.392 0.351 20 0 BCADLP C[C@@H](C[N@@H+](C)C1CC[NH2+]CC1)CS(C)(=O)=O ZINC000430620268 387635346 /nfs/dbraw/zinc/63/53/46/387635346.db2.gz BAKBQIKLZCSLBH-JTQLQIEISA-N 2 2 248.392 0.351 20 0 BCADLP O=C([C@H]1CC[NH2+]C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000430677793 387637819 /nfs/dbraw/zinc/63/78/19/387637819.db2.gz HBNYSSGCGZBIBN-QWRGUYRKSA-N 2 2 248.330 0.725 20 0 BCADLP CC[NH+]1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000527634807 387645174 /nfs/dbraw/zinc/64/51/74/387645174.db2.gz RHUQTOLXELFDCD-UHFFFAOYSA-N 2 2 236.319 0.356 20 0 BCADLP C[NH2+]CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000430773809 387648798 /nfs/dbraw/zinc/64/87/98/387648798.db2.gz AUEJJLXCWBVDEX-UHFFFAOYSA-N 2 2 222.292 0.335 20 0 BCADLP C[NH2+]CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000430773809 387648801 /nfs/dbraw/zinc/64/88/01/387648801.db2.gz AUEJJLXCWBVDEX-UHFFFAOYSA-N 2 2 222.292 0.335 20 0 BCADLP C([NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@@H]1CCCO1 ZINC000422748939 387652789 /nfs/dbraw/zinc/65/27/89/387652789.db2.gz WUIIKNUQFHFSLU-AVGNSLFASA-N 2 2 240.347 0.522 20 0 BCADLP C[C@H]1C[N@H+](CC(=O)N(C)CC2CC2)CC[C@@H]1[NH3+] ZINC000430927138 387661569 /nfs/dbraw/zinc/66/15/69/387661569.db2.gz PRAIMWNCPWJWDH-JQWIXIFHSA-N 2 2 239.363 0.524 20 0 BCADLP C[C@H]1C[N@@H+](CC(=O)N(C)CC2CC2)CC[C@@H]1[NH3+] ZINC000430927138 387661572 /nfs/dbraw/zinc/66/15/72/387661572.db2.gz PRAIMWNCPWJWDH-JQWIXIFHSA-N 2 2 239.363 0.524 20 0 BCADLP CCc1noc([C@@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000430961559 387665812 /nfs/dbraw/zinc/66/58/12/387665812.db2.gz OHSOAPQAYAIGAI-RKDXNWHRSA-N 2 2 224.308 0.974 20 0 BCADLP CCc1noc([C@@H](C)[N@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000430961559 387665818 /nfs/dbraw/zinc/66/58/18/387665818.db2.gz OHSOAPQAYAIGAI-RKDXNWHRSA-N 2 2 224.308 0.974 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCNC(=O)C1CC1 ZINC000422767684 387667687 /nfs/dbraw/zinc/66/76/87/387667687.db2.gz YSARTBXYWHZCLS-KOLCDFICSA-N 2 2 225.336 0.100 20 0 BCADLP CCNC(=O)[C@@H](C)[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422770089 387668301 /nfs/dbraw/zinc/66/83/01/387668301.db2.gz PPBSYUFRGLGDNT-MXWKQRLJSA-N 2 2 227.352 0.631 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC000422767685 387668450 /nfs/dbraw/zinc/66/84/50/387668450.db2.gz YSARTBXYWHZCLS-MWLCHTKSSA-N 2 2 225.336 0.100 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC000422767683 387668779 /nfs/dbraw/zinc/66/87/79/387668779.db2.gz YSARTBXYWHZCLS-GXSJLCMTSA-N 2 2 225.336 0.100 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422774992 387672507 /nfs/dbraw/zinc/67/25/07/387672507.db2.gz ZGXHUCDCCSCEKA-KXUCPTDWSA-N 2 2 213.325 0.099 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@](C)(C[NH3+])C(C)C)c[nH+]1 ZINC000422861384 387744909 /nfs/dbraw/zinc/74/49/09/387744909.db2.gz JHPHGJFCTGUOAQ-NSHDSACASA-N 2 2 224.308 0.821 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000422803648 387702139 /nfs/dbraw/zinc/70/21/39/387702139.db2.gz DEGLMPMLCDHNLQ-ZJUUUORDSA-N 2 2 227.352 0.489 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CC2COC2)C[N@@H+]1C1CC1 ZINC000527817722 387706566 /nfs/dbraw/zinc/70/65/66/387706566.db2.gz OQUMBCXEERANSH-ONGXEEELSA-N 2 2 210.321 0.848 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CC2COC2)C[N@H+]1C1CC1 ZINC000527817722 387706570 /nfs/dbraw/zinc/70/65/70/387706570.db2.gz OQUMBCXEERANSH-ONGXEEELSA-N 2 2 210.321 0.848 20 0 BCADLP C([NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)C1CC1 ZINC000422817960 387713550 /nfs/dbraw/zinc/71/35/50/387713550.db2.gz IXGSLWBZESBLOY-NEPJUHHUSA-N 2 2 210.321 0.753 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000527789914 387715293 /nfs/dbraw/zinc/71/52/93/387715293.db2.gz QGCGSBRXTVPYCJ-VOBJUBJWSA-N 2 2 210.321 0.705 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000527789914 387715296 /nfs/dbraw/zinc/71/52/96/387715296.db2.gz QGCGSBRXTVPYCJ-VOBJUBJWSA-N 2 2 210.321 0.705 20 0 BCADLP CCC(CC)(C[NH3+])NC(=O)c1c[nH+]c(C)[nH]1 ZINC000422815263 387715349 /nfs/dbraw/zinc/71/53/49/387715349.db2.gz BDKZNNCCJIHPGG-UHFFFAOYSA-N 2 2 224.308 0.965 20 0 BCADLP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000643522749 387722066 /nfs/dbraw/zinc/72/20/66/387722066.db2.gz BYUAIRTXCAABAM-SRVKXCTJSA-N 3 2 211.353 0.859 20 0 BCADLP COCC[N@H+](C)CCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422848136 387735286 /nfs/dbraw/zinc/73/52/86/387735286.db2.gz SNPJDISCMZKOBH-STQMWFEESA-N 3 2 243.395 0.542 20 0 BCADLP COCC[N@@H+](C)CCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422848136 387735293 /nfs/dbraw/zinc/73/52/93/387735293.db2.gz SNPJDISCMZKOBH-STQMWFEESA-N 3 2 243.395 0.542 20 0 BCADLP COCC[N@H+](C)CCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422852226 387738962 /nfs/dbraw/zinc/73/89/62/387738962.db2.gz XSDVHFYMTWFICM-CHWSQXEVSA-N 3 2 243.395 0.685 20 0 BCADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422852226 387738967 /nfs/dbraw/zinc/73/89/67/387738967.db2.gz XSDVHFYMTWFICM-CHWSQXEVSA-N 3 2 243.395 0.685 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])C1 ZINC000422889759 387762742 /nfs/dbraw/zinc/76/27/42/387762742.db2.gz QNANXEQWYFAIFJ-CHWSQXEVSA-N 3 2 243.395 0.814 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])C1 ZINC000422889759 387762744 /nfs/dbraw/zinc/76/27/44/387762744.db2.gz QNANXEQWYFAIFJ-CHWSQXEVSA-N 3 2 243.395 0.814 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@@H]2CCCCO2)CCO1 ZINC000169175804 387762913 /nfs/dbraw/zinc/76/29/13/387762913.db2.gz HRHHYBPHDQBXCL-SRVKXCTJSA-N 2 2 228.336 0.604 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)CCO1 ZINC000169175804 387762915 /nfs/dbraw/zinc/76/29/15/387762915.db2.gz HRHHYBPHDQBXCL-SRVKXCTJSA-N 2 2 228.336 0.604 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000422889762 387763086 /nfs/dbraw/zinc/76/30/86/387763086.db2.gz QNANXEQWYFAIFJ-STQMWFEESA-N 3 2 243.395 0.814 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000422889762 387763091 /nfs/dbraw/zinc/76/30/91/387763091.db2.gz QNANXEQWYFAIFJ-STQMWFEESA-N 3 2 243.395 0.814 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000129146774 387763175 /nfs/dbraw/zinc/76/31/75/387763175.db2.gz ULDMNNWKLXQXPJ-QJPTWQEYSA-N 2 2 240.347 0.964 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000129146774 387763179 /nfs/dbraw/zinc/76/31/79/387763179.db2.gz ULDMNNWKLXQXPJ-QJPTWQEYSA-N 2 2 240.347 0.964 20 0 BCADLP COC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000129146774 387763186 /nfs/dbraw/zinc/76/31/86/387763186.db2.gz ULDMNNWKLXQXPJ-QJPTWQEYSA-N 2 2 240.347 0.964 20 0 BCADLP COC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000129146774 387763189 /nfs/dbraw/zinc/76/31/89/387763189.db2.gz ULDMNNWKLXQXPJ-QJPTWQEYSA-N 2 2 240.347 0.964 20 0 BCADLP CCCC[C@@H](C[NH3+])NC(=O)c1c[nH+]c(C)[nH]1 ZINC000422898935 387765813 /nfs/dbraw/zinc/76/58/13/387765813.db2.gz GEZCCKRZGKFNSU-VIFPVBQESA-N 2 2 224.308 0.965 20 0 BCADLP CCOCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129500053 387771263 /nfs/dbraw/zinc/77/12/63/387771263.db2.gz DIPWJNKEBBOQNN-ZDUSSCGKSA-N 2 2 242.363 0.677 20 0 BCADLP CCOCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129500053 387771267 /nfs/dbraw/zinc/77/12/67/387771267.db2.gz DIPWJNKEBBOQNN-ZDUSSCGKSA-N 2 2 242.363 0.677 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000422916866 387773756 /nfs/dbraw/zinc/77/37/56/387773756.db2.gz BTEKEDZEIRUYOI-HOSYDEDBSA-N 2 2 237.347 0.480 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000422919069 387774972 /nfs/dbraw/zinc/77/49/72/387774972.db2.gz JBRUMSGFQOLKGR-CKYFFXLPSA-N 2 2 237.347 0.337 20 0 BCADLP CC(C)N1C[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CC1=O ZINC000422918922 387775127 /nfs/dbraw/zinc/77/51/27/387775127.db2.gz IZTJYVHPDZEHQF-SRVKXCTJSA-N 2 2 239.363 0.726 20 0 BCADLP Cc1c[nH+]cn1CC(=O)NCCn1cc[nH+]c1 ZINC000527945452 387781995 /nfs/dbraw/zinc/78/19/95/387781995.db2.gz ROJRGPQYYSHCQQ-UHFFFAOYSA-N 2 2 233.275 0.204 20 0 BCADLP CCC[C@H]([NH3+])C(=O)N[C@H]1CCc2[nH+]ccn2C1 ZINC000378498644 387787473 /nfs/dbraw/zinc/78/74/73/387787473.db2.gz QFQUFRAEAIRMCD-UWVGGRQHSA-N 2 2 236.319 0.442 20 0 BCADLP CCn1nncc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000527921443 387789399 /nfs/dbraw/zinc/78/93/99/387789399.db2.gz YDWQOWJCNGOKAB-GHMZBOCLSA-N 2 2 237.351 0.870 20 0 BCADLP CCn1nncc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000527921443 387789406 /nfs/dbraw/zinc/78/94/06/387789406.db2.gz YDWQOWJCNGOKAB-GHMZBOCLSA-N 2 2 237.351 0.870 20 0 BCADLP CCCC(=O)NC[C@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000442660793 387812856 /nfs/dbraw/zinc/81/28/56/387812856.db2.gz MSPUJLLDCBUXPV-VXGBXAGGSA-N 2 2 241.379 0.962 20 0 BCADLP CCCC(=O)NC[C@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000442660793 387812858 /nfs/dbraw/zinc/81/28/58/387812858.db2.gz MSPUJLLDCBUXPV-VXGBXAGGSA-N 2 2 241.379 0.962 20 0 BCADLP CC(C)C(=O)N[C@@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000442660082 387812882 /nfs/dbraw/zinc/81/28/82/387812882.db2.gz LSWSUJVVFPKDNO-WDEREUQCSA-N 2 2 227.352 0.570 20 0 BCADLP CC(C)C(=O)N[C@@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000442660082 387812884 /nfs/dbraw/zinc/81/28/84/387812884.db2.gz LSWSUJVVFPKDNO-WDEREUQCSA-N 2 2 227.352 0.570 20 0 BCADLP CC(C)C(=O)N[C@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000442660081 387812925 /nfs/dbraw/zinc/81/29/25/387812925.db2.gz LSWSUJVVFPKDNO-QWRGUYRKSA-N 2 2 227.352 0.570 20 0 BCADLP CC(C)C(=O)N[C@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000442660081 387812926 /nfs/dbraw/zinc/81/29/26/387812926.db2.gz LSWSUJVVFPKDNO-QWRGUYRKSA-N 2 2 227.352 0.570 20 0 BCADLP CC(C)N1CC[C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1=O ZINC000422982496 387793170 /nfs/dbraw/zinc/79/31/70/387793170.db2.gz QXLBJYISHKPVAM-IJLUTSLNSA-N 2 2 239.363 0.726 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H](O)COCC1CC1 ZINC000422973455 387820605 /nfs/dbraw/zinc/82/06/05/387820605.db2.gz OSIQSKKUHCNTKN-RTXFEEFZSA-N 2 2 242.363 0.362 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1COC1 ZINC000528024099 387828394 /nfs/dbraw/zinc/82/83/94/387828394.db2.gz FMFUFAYPSOAZGQ-CABZTGNLSA-N 2 2 210.321 0.705 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1COC1 ZINC000528024099 387828395 /nfs/dbraw/zinc/82/83/95/387828395.db2.gz FMFUFAYPSOAZGQ-CABZTGNLSA-N 2 2 210.321 0.705 20 0 BCADLP CCC[NH+]1CCC([NH2+]Cc2cn(C)nn2)CC1 ZINC000054859005 387828858 /nfs/dbraw/zinc/82/88/58/387828858.db2.gz MTFQSDLOIFRPRI-UHFFFAOYSA-N 2 2 237.351 0.779 20 0 BCADLP [NH3+][C@@H]1C[C@@H]1C(=O)NCCCCNc1cccc[nH+]1 ZINC000424162531 387844907 /nfs/dbraw/zinc/84/49/07/387844907.db2.gz XCDINVTYTQEOTK-WDEREUQCSA-N 2 2 248.330 0.737 20 0 BCADLP COC[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)OC ZINC000423038473 387853955 /nfs/dbraw/zinc/85/39/55/387853955.db2.gz CWQZUZILKJPMAU-TUAOUCFPSA-N 2 2 230.352 0.768 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCOCC(F)F ZINC000423072931 387874738 /nfs/dbraw/zinc/87/47/38/387874738.db2.gz QQFZJWAHLIBVBL-BDAKNGLRSA-N 2 2 222.279 0.856 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000442656083 387814411 /nfs/dbraw/zinc/81/44/11/387814411.db2.gz DLVYBSPEKWZWSI-RYUDHWBXSA-N 2 2 249.362 0.724 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000442656083 387814417 /nfs/dbraw/zinc/81/44/17/387814417.db2.gz DLVYBSPEKWZWSI-RYUDHWBXSA-N 2 2 249.362 0.724 20 0 BCADLP Cc1cc(C[NH+]2CCN(C[C@@H](C)[NH3+])CC2)on1 ZINC000442665421 387816422 /nfs/dbraw/zinc/81/64/22/387816422.db2.gz ZRVAZYYIAKYZLS-SNVBAGLBSA-N 2 2 238.335 0.448 20 0 BCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](C)[NH3+])C1 ZINC000442665488 387816697 /nfs/dbraw/zinc/81/66/97/387816697.db2.gz MNUBSBOCUCZYII-QWHCGFSZSA-N 3 2 243.395 0.766 20 0 BCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000442665488 387816701 /nfs/dbraw/zinc/81/67/01/387816701.db2.gz MNUBSBOCUCZYII-QWHCGFSZSA-N 3 2 243.395 0.766 20 0 BCADLP CC(C)OCCOC[C@@H](O)C[N@H+](C)C[C@@H](C)[NH3+] ZINC000442662188 387817988 /nfs/dbraw/zinc/81/79/88/387817988.db2.gz HBEKHLJRDZTSHX-NEPJUHHUSA-N 2 2 248.367 0.068 20 0 BCADLP CC(C)OCCOC[C@@H](O)C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000442662188 387817993 /nfs/dbraw/zinc/81/79/93/387817993.db2.gz HBEKHLJRDZTSHX-NEPJUHHUSA-N 2 2 248.367 0.068 20 0 BCADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)C(=O)NCCF ZINC000423116762 387897917 /nfs/dbraw/zinc/89/79/17/387897917.db2.gz RLLLHZCWECUNLI-AXFHLTTASA-N 2 2 245.342 0.581 20 0 BCADLP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538324 387877591 /nfs/dbraw/zinc/87/75/91/387877591.db2.gz GWFKRSVDNAXBAV-VPOLOUISSA-N 3 2 215.316 0.403 20 0 BCADLP CC[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)OC ZINC000423140562 387918929 /nfs/dbraw/zinc/91/89/29/387918929.db2.gz MRKKSEJUSCQLOD-GMTAPVOTSA-N 2 2 200.326 0.999 20 0 BCADLP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1COCC[NH2+]1 ZINC000424188011 387908966 /nfs/dbraw/zinc/90/89/66/387908966.db2.gz JDSVDEFBOOVHNX-LBPRGKRZSA-N 2 2 247.298 0.217 20 0 BCADLP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000645786675 387910452 /nfs/dbraw/zinc/91/04/52/387910452.db2.gz RNEIIAICJFXXRW-LLVKDONJSA-N 2 2 237.347 0.291 20 0 BCADLP Nc1ccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)c[nH+]1 ZINC000238000198 387931139 /nfs/dbraw/zinc/93/11/39/387931139.db2.gz BAOGVVWKVGNHGW-SNVBAGLBSA-N 2 2 246.314 0.992 20 0 BCADLP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000423144164 387920999 /nfs/dbraw/zinc/92/09/99/387920999.db2.gz GFFBCMLRKMNGDE-CHWSQXEVSA-N 3 2 243.395 0.550 20 0 BCADLP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000423144164 387921001 /nfs/dbraw/zinc/92/10/01/387921001.db2.gz GFFBCMLRKMNGDE-CHWSQXEVSA-N 3 2 243.395 0.550 20 0 BCADLP CCN1C[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CC1=O ZINC000423148495 387924552 /nfs/dbraw/zinc/92/45/52/387924552.db2.gz GEMOXHIXGNWUQU-DCAQKATOSA-N 2 2 225.336 0.337 20 0 BCADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C[NH3+])c1 ZINC000237915288 387928873 /nfs/dbraw/zinc/92/88/73/387928873.db2.gz GZIRNYNZCGDVGM-UHFFFAOYSA-N 2 2 230.271 0.984 20 0 BCADLP C[C@@H]([NH3+])C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424295891 387956116 /nfs/dbraw/zinc/95/61/16/387956116.db2.gz RNXVGWZJMDFPCX-SNVBAGLBSA-N 3 2 249.362 0.470 20 0 BCADLP c1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)n[nH]1 ZINC000309621243 387942540 /nfs/dbraw/zinc/94/25/40/387942540.db2.gz PCRZMVZEFKAJHZ-SECBINFHSA-N 2 2 217.276 0.711 20 0 BCADLP C[NH2+]CCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000309621669 387942858 /nfs/dbraw/zinc/94/28/58/387942858.db2.gz HQDPFFSFVKHDSB-LBPRGKRZSA-N 3 2 211.353 0.671 20 0 BCADLP C[NH2+]CCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000309621669 387942862 /nfs/dbraw/zinc/94/28/62/387942862.db2.gz HQDPFFSFVKHDSB-LBPRGKRZSA-N 3 2 211.353 0.671 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245443752 387949437 /nfs/dbraw/zinc/94/94/37/387949437.db2.gz JCCDXSBWJWATPO-RYUDHWBXSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245443752 387949441 /nfs/dbraw/zinc/94/94/41/387949441.db2.gz JCCDXSBWJWATPO-RYUDHWBXSA-N 2 2 239.363 0.668 20 0 BCADLP CC[C@H](Cn1cncn1)[NH2+]CCCn1cc[nH+]c1 ZINC000438838251 387958437 /nfs/dbraw/zinc/95/84/37/387958437.db2.gz UNLVXHOZFMLQOQ-GFCCVEGCSA-N 2 2 248.334 0.933 20 0 BCADLP CC[C@H](C)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424303344 387961822 /nfs/dbraw/zinc/96/18/22/387961822.db2.gz ZQDBSXSPPUDGDZ-ZMLRMANQSA-N 2 2 222.336 0.945 20 0 BCADLP CC[C@H](C)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424303344 387961826 /nfs/dbraw/zinc/96/18/26/387961826.db2.gz ZQDBSXSPPUDGDZ-ZMLRMANQSA-N 2 2 222.336 0.945 20 0 BCADLP CC[C@H]([NH2+]C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423178459 387964242 /nfs/dbraw/zinc/96/42/42/387964242.db2.gz GEHYLNDTOPHDOV-RYUDHWBXSA-N 3 2 211.353 0.859 20 0 BCADLP CC(C)C(=O)NCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400477722 387969131 /nfs/dbraw/zinc/96/91/31/387969131.db2.gz VJFZGJIVYLPRFZ-WDEREUQCSA-N 2 2 227.352 0.489 20 0 BCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000424336863 387979802 /nfs/dbraw/zinc/97/98/02/387979802.db2.gz RGNNLCOQZHLFNR-IJLUTSLNSA-N 3 2 211.353 0.846 20 0 BCADLP Cn1cc(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)nn1 ZINC000424363653 387989425 /nfs/dbraw/zinc/98/94/25/387989425.db2.gz BVJYGSBGDGOMKU-MRVPVSSYSA-N 2 2 245.277 0.150 20 0 BCADLP C[C@@H](CS(C)(=O)=O)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424376503 387999015 /nfs/dbraw/zinc/99/90/15/387999015.db2.gz PKUIKMKCCRREMK-IVZWLZJFSA-N 2 2 234.365 0.279 20 0 BCADLP COc1ccnc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000424385146 388001057 /nfs/dbraw/zinc/00/10/57/388001057.db2.gz VZGGUBCSDCTCAH-NXEZZACHSA-N 2 2 236.319 0.702 20 0 BCADLP COC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638110 135091905 /nfs/dbraw/zinc/09/19/05/135091905.db2.gz APHGAHRTYDJRJY-QMMMGPOBSA-N 2 2 202.298 0.465 20 0 BCADLP COC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638110 135091906 /nfs/dbraw/zinc/09/19/06/135091906.db2.gz APHGAHRTYDJRJY-QMMMGPOBSA-N 2 2 202.298 0.465 20 0 BCADLP COC[C@@H](C)[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000246059220 388004454 /nfs/dbraw/zinc/00/44/54/388004454.db2.gz DWYSWQIIEZHKRI-CHWSQXEVSA-N 2 2 244.379 0.968 20 0 BCADLP COC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000246059220 388004457 /nfs/dbraw/zinc/00/44/57/388004457.db2.gz DWYSWQIIEZHKRI-CHWSQXEVSA-N 2 2 244.379 0.968 20 0 BCADLP C[C@H]([NH2+]CCN1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000423211471 387996074 /nfs/dbraw/zinc/99/60/74/387996074.db2.gz YHLWGOWYVBIPKV-STQMWFEESA-N 3 2 240.395 0.012 20 0 BCADLP CC[C@H]([NH2+]CC[N@H+](C)CCOC)[C@@H]1CCOC1 ZINC000159400572 388012049 /nfs/dbraw/zinc/01/20/49/388012049.db2.gz PCABHIGOANBRCI-OLZOCXBDSA-N 2 2 244.379 0.969 20 0 BCADLP CC[C@H]([NH2+]CC[N@@H+](C)CCOC)[C@@H]1CCOC1 ZINC000159400572 388012053 /nfs/dbraw/zinc/01/20/53/388012053.db2.gz PCABHIGOANBRCI-OLZOCXBDSA-N 2 2 244.379 0.969 20 0 BCADLP C[NH2+]C[C@H](C)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423256203 388036697 /nfs/dbraw/zinc/03/66/97/388036697.db2.gz BMMSIJQCHRXKFI-UHTWSYAYSA-N 3 2 241.379 0.199 20 0 BCADLP COCCN1CC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)C1 ZINC000423257921 388038583 /nfs/dbraw/zinc/03/85/83/388038583.db2.gz ASNHBGLNSFKRTQ-OLZOCXBDSA-N 2 2 243.395 0.670 20 0 BCADLP CC[NH2+]CC[NH2+][C@H](C)CC(=O)N(CC)CC ZINC000423244666 388028262 /nfs/dbraw/zinc/02/82/62/388028262.db2.gz LRTOXJKABXDKHX-LLVKDONJSA-N 2 2 229.368 0.833 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cncn2C)C1 ZINC000085170750 388084783 /nfs/dbraw/zinc/08/47/83/388084783.db2.gz FYCURJQDJAFMDK-LLVKDONJSA-N 2 2 222.336 0.852 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cncn2C)C1 ZINC000085170750 388084785 /nfs/dbraw/zinc/08/47/85/388084785.db2.gz FYCURJQDJAFMDK-LLVKDONJSA-N 2 2 222.336 0.852 20 0 BCADLP C[NH2+]C[C@H]1CCCN(Cc2c[nH+]cn2C)C1 ZINC000085170750 388084787 /nfs/dbraw/zinc/08/47/87/388084787.db2.gz FYCURJQDJAFMDK-LLVKDONJSA-N 2 2 222.336 0.852 20 0 BCADLP CC[NH+](CC)CCC[NH+]1CC(C)(C(N)=O)C1 ZINC000645958745 388086914 /nfs/dbraw/zinc/08/69/14/388086914.db2.gz HMSMTMHEWRARGP-UHFFFAOYSA-N 2 2 227.352 0.526 20 0 BCADLP OC[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000447905466 388101347 /nfs/dbraw/zinc/10/13/47/388101347.db2.gz UHXBGAKIHUTDFA-NEPJUHHUSA-N 2 2 239.319 0.403 20 0 BCADLP C[C@H](CO)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000083219931 388047661 /nfs/dbraw/zinc/04/76/61/388047661.db2.gz OQGCBZGZTQPJSV-VIFPVBQESA-N 2 2 226.324 0.204 20 0 BCADLP C[NH2+][C@H]1CC[N@H+](CC(C)(C)COC)C1 ZINC000261528396 135153216 /nfs/dbraw/zinc/15/32/16/135153216.db2.gz LKPBNQBAGGXEMC-JTQLQIEISA-N 2 2 200.326 0.953 20 0 BCADLP C[NH2+][C@H]1CC[N@@H+](CC(C)(C)COC)C1 ZINC000261528396 135153217 /nfs/dbraw/zinc/15/32/17/135153217.db2.gz LKPBNQBAGGXEMC-JTQLQIEISA-N 2 2 200.326 0.953 20 0 BCADLP C[NH2+]C[C@H](C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000646253068 388170283 /nfs/dbraw/zinc/17/02/83/388170283.db2.gz NSEKZMIKIDDABE-NSHDSACASA-N 2 2 238.335 0.587 20 0 BCADLP C[C@H](CCO)CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000449356392 388180828 /nfs/dbraw/zinc/18/08/28/388180828.db2.gz HLAJIGUAWYGSMM-TUAOUCFPSA-N 2 2 214.353 0.935 20 0 BCADLP C[C@H](CCO)CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000449356392 388180830 /nfs/dbraw/zinc/18/08/30/388180830.db2.gz HLAJIGUAWYGSMM-TUAOUCFPSA-N 2 2 214.353 0.935 20 0 BCADLP CC1(C)C[NH2+][C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000646046058 388131953 /nfs/dbraw/zinc/13/19/53/388131953.db2.gz CECNWOMXQBKDHI-QMMMGPOBSA-N 2 2 208.265 0.024 20 0 BCADLP CC1(C)C[NH2+][C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000646046058 388131955 /nfs/dbraw/zinc/13/19/55/388131955.db2.gz CECNWOMXQBKDHI-QMMMGPOBSA-N 2 2 208.265 0.024 20 0 BCADLP CC(=O)NCC[N@@H+](C)CCc1c[nH+]cn1C ZINC000646047350 388132378 /nfs/dbraw/zinc/13/23/78/388132378.db2.gz NZIGOODTXVONOI-UHFFFAOYSA-N 2 2 224.308 0.031 20 0 BCADLP CC(=O)NCC[N@H+](C)CCc1c[nH+]cn1C ZINC000646047350 388132380 /nfs/dbraw/zinc/13/23/80/388132380.db2.gz NZIGOODTXVONOI-UHFFFAOYSA-N 2 2 224.308 0.031 20 0 BCADLP CCc1nocc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000646105451 388143034 /nfs/dbraw/zinc/14/30/34/388143034.db2.gz WXFNSOUTMATHRJ-NXEZZACHSA-N 2 2 221.304 0.888 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC[C@](C)(O)COC)C1 ZINC000449386337 388190886 /nfs/dbraw/zinc/19/08/86/388190886.db2.gz TWAYBHPDYMGCAB-XQQFMLRXSA-N 2 2 244.379 0.704 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC[C@](C)(O)COC)C1 ZINC000449386337 388190889 /nfs/dbraw/zinc/19/08/89/388190889.db2.gz TWAYBHPDYMGCAB-XQQFMLRXSA-N 2 2 244.379 0.704 20 0 BCADLP CCOC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449387895 388191182 /nfs/dbraw/zinc/19/11/82/388191182.db2.gz NKDBSGFAYSBFLU-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP CCOC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449387895 388191184 /nfs/dbraw/zinc/19/11/84/388191184.db2.gz NKDBSGFAYSBFLU-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP COC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449389180 388191737 /nfs/dbraw/zinc/19/17/37/388191737.db2.gz RPOPHVNFOFBDQG-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP COC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449389180 388191740 /nfs/dbraw/zinc/19/17/40/388191740.db2.gz RPOPHVNFOFBDQG-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP COCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449393226 388193616 /nfs/dbraw/zinc/19/36/16/388193616.db2.gz LSOWNYJJQZCPBD-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP COCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449393226 388193619 /nfs/dbraw/zinc/19/36/19/388193619.db2.gz LSOWNYJJQZCPBD-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP CC[N@H+](CCCO)CCCn1cc[nH+]c1 ZINC000162517456 388201894 /nfs/dbraw/zinc/20/18/94/388201894.db2.gz FTHXDSUESCYQAQ-UHFFFAOYSA-N 2 2 211.309 0.978 20 0 BCADLP CC[N@@H+](CCCO)CCCn1cc[nH+]c1 ZINC000162517456 388201897 /nfs/dbraw/zinc/20/18/97/388201897.db2.gz FTHXDSUESCYQAQ-UHFFFAOYSA-N 2 2 211.309 0.978 20 0 BCADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)[C@H](C)O ZINC000449543205 388227734 /nfs/dbraw/zinc/22/77/34/388227734.db2.gz NWTFMFXQIMHZIO-XWLWVQCSSA-N 2 2 200.326 0.686 20 0 BCADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)[C@H](C)O ZINC000449543205 388227735 /nfs/dbraw/zinc/22/77/35/388227735.db2.gz NWTFMFXQIMHZIO-XWLWVQCSSA-N 2 2 200.326 0.686 20 0 BCADLP Cc1nc(N2CC[N@H+](CCO)[C@H](C)C2)cc[nH+]1 ZINC000490049835 388232395 /nfs/dbraw/zinc/23/23/95/388232395.db2.gz ZBIMKEISBRWJOF-SNVBAGLBSA-N 2 2 236.319 0.288 20 0 BCADLP Cc1nc(N2CC[N@@H+](CCO)[C@H](C)C2)cc[nH+]1 ZINC000490049835 388232396 /nfs/dbraw/zinc/23/23/96/388232396.db2.gz ZBIMKEISBRWJOF-SNVBAGLBSA-N 2 2 236.319 0.288 20 0 BCADLP COCC[N@H+](Cc1c[nH+]cn1C)[C@@H]1CCOC1 ZINC000490081615 388234804 /nfs/dbraw/zinc/23/48/04/388234804.db2.gz BOZVLKLEFSZWFX-LLVKDONJSA-N 2 2 239.319 0.657 20 0 BCADLP COCC[N@@H+](Cc1c[nH+]cn1C)[C@@H]1CCOC1 ZINC000490081615 388234806 /nfs/dbraw/zinc/23/48/06/388234806.db2.gz BOZVLKLEFSZWFX-LLVKDONJSA-N 2 2 239.319 0.657 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C\C[NH+](C)C ZINC000491883162 388326289 /nfs/dbraw/zinc/32/62/89/388326289.db2.gz KLGZSZFPCHIHBN-WYGGZMRJSA-N 2 2 236.319 0.506 20 0 BCADLP C[C@](C[NH3+])([NH2+]CC(=O)N1CCCC1)C1CC1 ZINC000516571210 388349991 /nfs/dbraw/zinc/34/99/91/388349991.db2.gz XBPCTOIELYFIOK-GFCCVEGCSA-N 2 2 225.336 0.326 20 0 BCADLP CO[C@H]1CC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000234905456 388363414 /nfs/dbraw/zinc/36/34/14/388363414.db2.gz USNMBECRVDPUMK-QMMMGPOBSA-N 2 2 240.307 0.484 20 0 BCADLP CO[C@H]1CC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000234905456 388363416 /nfs/dbraw/zinc/36/34/16/388363416.db2.gz USNMBECRVDPUMK-QMMMGPOBSA-N 2 2 240.307 0.484 20 0 BCADLP C[C@H](C[NH3+])[NH2+]Cc1cccc2c1OCO2 ZINC000235455694 388369317 /nfs/dbraw/zinc/36/93/17/388369317.db2.gz DWMITKWGLILYKN-MRVPVSSYSA-N 2 2 208.261 0.852 20 0 BCADLP Cc1cnn(CC[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000235935413 388375907 /nfs/dbraw/zinc/37/59/07/388375907.db2.gz YMYTUQJZSGXGCV-LLVKDONJSA-N 2 2 208.309 0.615 20 0 BCADLP Cc1cnn(CC[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000235935413 388375910 /nfs/dbraw/zinc/37/59/10/388375910.db2.gz YMYTUQJZSGXGCV-LLVKDONJSA-N 2 2 208.309 0.615 20 0 BCADLP FC(F)COCC[N@@H+]1CCC[NH2+]CC1 ZINC000236127474 388378418 /nfs/dbraw/zinc/37/84/18/388378418.db2.gz WOPFUJOPAPQHLD-UHFFFAOYSA-N 2 2 208.252 0.563 20 0 BCADLP FC(F)COCC[N@H+]1CCC[NH2+]CC1 ZINC000236127474 388378420 /nfs/dbraw/zinc/37/84/20/388378420.db2.gz WOPFUJOPAPQHLD-UHFFFAOYSA-N 2 2 208.252 0.563 20 0 BCADLP CC[C@H]([NH3+])C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000236926313 388386539 /nfs/dbraw/zinc/38/65/39/388386539.db2.gz ILQMUVYMCQHWCY-WOPDTQHZSA-N 2 2 241.379 0.960 20 0 BCADLP CC[C@H]([NH3+])C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000236926313 388386543 /nfs/dbraw/zinc/38/65/43/388386543.db2.gz ILQMUVYMCQHWCY-WOPDTQHZSA-N 2 2 241.379 0.960 20 0 BCADLP CC[C@H]([NH3+])C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000236948765 388386820 /nfs/dbraw/zinc/38/68/20/388386820.db2.gz MFJJBKSXMMPTFK-QXEWZRGKSA-N 2 2 225.336 0.465 20 0 BCADLP CC[C@H]([NH3+])C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000236948765 388386824 /nfs/dbraw/zinc/38/68/24/388386824.db2.gz MFJJBKSXMMPTFK-QXEWZRGKSA-N 2 2 225.336 0.465 20 0 BCADLP Cc1ccnc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000328021161 388399284 /nfs/dbraw/zinc/39/92/84/388399284.db2.gz SKZWTAWJSMXPIU-AWEZNQCLSA-N 2 2 249.358 0.936 20 0 BCADLP Cc1ccnc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000328021162 388399438 /nfs/dbraw/zinc/39/94/38/388399438.db2.gz SKZWTAWJSMXPIU-CQSZACIVSA-N 2 2 249.358 0.936 20 0 BCADLP Cc1cc(NC(=O)[C@@H]([NH3+])C2CCC2)cc[nH+]1 ZINC000335192417 388449316 /nfs/dbraw/zinc/44/93/16/388449316.db2.gz HXOJJDJZUVVQAY-NSHDSACASA-N 2 2 219.288 0.878 20 0 BCADLP Cc1n[nH]cc1C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000335641517 388452846 /nfs/dbraw/zinc/45/28/46/388452846.db2.gz AWGZJCNWXMAPHV-KOLCDFICSA-N 2 2 208.309 0.948 20 0 BCADLP CCC(CC)CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000517234596 388543101 /nfs/dbraw/zinc/54/31/01/388543101.db2.gz MBCLFBKGCDJUJM-LBPRGKRZSA-N 2 2 241.379 0.914 20 0 BCADLP CCC(CC)CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000517234596 388543103 /nfs/dbraw/zinc/54/31/03/388543103.db2.gz MBCLFBKGCDJUJM-LBPRGKRZSA-N 2 2 241.379 0.914 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000516867932 256804673 /nfs/dbraw/zinc/80/46/73/256804673.db2.gz ZNWRIHIHKBMBEE-YNEHKIRRSA-N 2 2 242.363 0.864 20 0 BCADLP C[NH2+]CCC[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000516867932 256804675 /nfs/dbraw/zinc/80/46/75/256804675.db2.gz ZNWRIHIHKBMBEE-YNEHKIRRSA-N 2 2 242.363 0.864 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnnn2C)C1 ZINC000347049074 388522275 /nfs/dbraw/zinc/52/22/75/388522275.db2.gz PRBJUBZWDINLNC-NXEZZACHSA-N 2 2 223.324 0.374 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnnn2C)C1 ZINC000347049074 388522276 /nfs/dbraw/zinc/52/22/76/388522276.db2.gz PRBJUBZWDINLNC-NXEZZACHSA-N 2 2 223.324 0.374 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000347178047 388522542 /nfs/dbraw/zinc/52/25/42/388522542.db2.gz SALWCJPPQLVITO-SECBINFHSA-N 2 2 221.304 0.565 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000347178047 388522545 /nfs/dbraw/zinc/52/25/45/388522545.db2.gz SALWCJPPQLVITO-SECBINFHSA-N 2 2 221.304 0.565 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000516867929 388522550 /nfs/dbraw/zinc/52/25/50/388522550.db2.gz ZNWRIHIHKBMBEE-FRRDWIJNSA-N 2 2 242.363 0.864 20 0 BCADLP C[NH2+]CCC[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000516867929 388522551 /nfs/dbraw/zinc/52/25/51/388522551.db2.gz ZNWRIHIHKBMBEE-FRRDWIJNSA-N 2 2 242.363 0.864 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000516867930 388522619 /nfs/dbraw/zinc/52/26/19/388522619.db2.gz ZNWRIHIHKBMBEE-JHJVBQTASA-N 2 2 242.363 0.864 20 0 BCADLP C[NH2+]CCC[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000516867930 388522620 /nfs/dbraw/zinc/52/26/20/388522620.db2.gz ZNWRIHIHKBMBEE-JHJVBQTASA-N 2 2 242.363 0.864 20 0 BCADLP C[C@H](CC[NH3+])NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000516977489 388529844 /nfs/dbraw/zinc/52/98/44/388529844.db2.gz FENRCYHZJLWCAT-ZJUUUORDSA-N 2 2 224.308 0.688 20 0 BCADLP O=C(CC[C@H]1CCC[NH2+]1)NCCn1cc[nH+]c1 ZINC000261548100 388590073 /nfs/dbraw/zinc/59/00/73/388590073.db2.gz JCGSQKSNDAQGTK-LLVKDONJSA-N 2 2 236.319 0.532 20 0 BCADLP C[C@@H](CS(C)(=O)=O)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000081900950 388598078 /nfs/dbraw/zinc/59/80/78/388598078.db2.gz ZSUQLLDNXFLCMI-WDEREUQCSA-N 2 2 248.392 0.351 20 0 BCADLP C[C@@H](CS(C)(=O)=O)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000081900950 388598079 /nfs/dbraw/zinc/59/80/79/388598079.db2.gz ZSUQLLDNXFLCMI-WDEREUQCSA-N 2 2 248.392 0.351 20 0 BCADLP CC1([NH+]2CCOCC2)CC[NH+](CCO)CC1 ZINC000528726952 388559371 /nfs/dbraw/zinc/55/93/71/388559371.db2.gz HOSBFSFLKVWZST-UHFFFAOYSA-N 2 2 228.336 0.165 20 0 BCADLP C[C@H]1CN(c2cc(NC3CC3)[nH+]cn2)C[C@@H]1[NH3+] ZINC000521010031 388559831 /nfs/dbraw/zinc/55/98/31/388559831.db2.gz FYFBCGUEFCQRFG-WPRPVWTQSA-N 2 2 233.319 0.834 20 0 BCADLP CCOC[C@@H]1C[N@H+](CCn2cc[nH+]c2)CCO1 ZINC000528725281 388561914 /nfs/dbraw/zinc/56/19/14/388561914.db2.gz PDKTZUBNJQMEGH-LBPRGKRZSA-N 2 2 239.319 0.620 20 0 BCADLP CCOC[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CCO1 ZINC000528725281 388561917 /nfs/dbraw/zinc/56/19/17/388561917.db2.gz PDKTZUBNJQMEGH-LBPRGKRZSA-N 2 2 239.319 0.620 20 0 BCADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC000245414684 388577377 /nfs/dbraw/zinc/57/73/77/388577377.db2.gz CODHQHCESVDQAG-MNOVXSKESA-N 2 2 227.352 0.524 20 0 BCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC000245414684 388577380 /nfs/dbraw/zinc/57/73/80/388577380.db2.gz CODHQHCESVDQAG-MNOVXSKESA-N 2 2 227.352 0.524 20 0 BCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC000245414684 388577381 /nfs/dbraw/zinc/57/73/81/388577381.db2.gz CODHQHCESVDQAG-MNOVXSKESA-N 2 2 227.352 0.524 20 0 BCADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC000245414684 388577383 /nfs/dbraw/zinc/57/73/83/388577383.db2.gz CODHQHCESVDQAG-MNOVXSKESA-N 2 2 227.352 0.524 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC000245435202 388579153 /nfs/dbraw/zinc/57/91/53/388579153.db2.gz CTMMVURLSMHCFE-NXEZZACHSA-N 2 2 213.325 0.134 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC000245435202 388579155 /nfs/dbraw/zinc/57/91/55/388579155.db2.gz CTMMVURLSMHCFE-NXEZZACHSA-N 2 2 213.325 0.134 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC000245435202 388579157 /nfs/dbraw/zinc/57/91/57/388579157.db2.gz CTMMVURLSMHCFE-NXEZZACHSA-N 2 2 213.325 0.134 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC000245435202 388579159 /nfs/dbraw/zinc/57/91/59/388579159.db2.gz CTMMVURLSMHCFE-NXEZZACHSA-N 2 2 213.325 0.134 20 0 BCADLP O=C(NCCCCn1cc[nH+]c1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649303070 388585437 /nfs/dbraw/zinc/58/54/37/388585437.db2.gz RWALVRDQABJPIG-GDNZZTSVSA-N 2 2 248.330 0.245 20 0 BCADLP C[C@@H]1C[C@@H](NC[C@H]2COCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000530181257 388622994 /nfs/dbraw/zinc/62/29/94/388622994.db2.gz JFOXUHOAQZFFDM-UTUOFQBUSA-N 2 2 239.363 0.190 20 0 BCADLP C[C@@H]1C[C@@H](NC[C@H]2COCC[NH2+]2)C[N@H+]1C1CC1 ZINC000530181257 388622998 /nfs/dbraw/zinc/62/29/98/388622998.db2.gz JFOXUHOAQZFFDM-UTUOFQBUSA-N 2 2 239.363 0.190 20 0 BCADLP CCn1ncc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000530213073 388627347 /nfs/dbraw/zinc/62/73/47/388627347.db2.gz UOUAJDJBKNKEOL-KOLCDFICSA-N 2 2 223.324 0.515 20 0 BCADLP C[C@@H]([NH2+][C@@H]1Cc2ccccc2NC1=O)C1C[NH2+]C1 ZINC000530221354 388632603 /nfs/dbraw/zinc/63/26/03/388632603.db2.gz DRJMEPLYPJZKKE-NOZJJQNGSA-N 2 2 245.326 0.747 20 0 BCADLP C[C@H]([NH2+][C@@H]1Cc2ccccc2NC1=O)C1C[NH2+]C1 ZINC000530221357 388633309 /nfs/dbraw/zinc/63/33/09/388633309.db2.gz DRJMEPLYPJZKKE-TVQRCGJNSA-N 2 2 245.326 0.747 20 0 BCADLP CCOC[C@H]1C[N@H+](CCC[NH3+])CCO1 ZINC000530231673 388636272 /nfs/dbraw/zinc/63/62/72/388636272.db2.gz KRODPKZHQNALBF-SNVBAGLBSA-N 2 2 202.298 0.073 20 0 BCADLP CCOC[C@H]1C[N@@H+](CCC[NH3+])CCO1 ZINC000530231673 388636273 /nfs/dbraw/zinc/63/62/73/388636273.db2.gz KRODPKZHQNALBF-SNVBAGLBSA-N 2 2 202.298 0.073 20 0 BCADLP C[C@]1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC[NH2+]C1 ZINC000530244741 388638838 /nfs/dbraw/zinc/63/88/38/388638838.db2.gz NCVGULUYRJMSIV-NEPJUHHUSA-N 3 2 223.364 0.860 20 0 BCADLP C[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530244835 388639097 /nfs/dbraw/zinc/63/90/97/388639097.db2.gz QTPVRPWEAPSFJK-JQWIXIFHSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000530244835 388639098 /nfs/dbraw/zinc/63/90/98/388639098.db2.gz QTPVRPWEAPSFJK-JQWIXIFHSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@@]1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC[NH2+]C1 ZINC000530244744 388639200 /nfs/dbraw/zinc/63/92/00/388639200.db2.gz NCVGULUYRJMSIV-VXGBXAGGSA-N 3 2 223.364 0.860 20 0 BCADLP O=C(C[NH2+]C1CC1)N1CC[NH+](C2CC2)CC1 ZINC000037827027 388647955 /nfs/dbraw/zinc/64/79/55/388647955.db2.gz LBUOLPTYBZIBIA-UHFFFAOYSA-N 2 2 223.320 0.045 20 0 BCADLP Cc1n[nH]c(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000329310764 388650365 /nfs/dbraw/zinc/65/03/65/388650365.db2.gz FWYKQMIUOKSLGE-ONGXEEELSA-N 2 2 237.351 0.728 20 0 BCADLP Cc1nc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC000329310764 388650369 /nfs/dbraw/zinc/65/03/69/388650369.db2.gz FWYKQMIUOKSLGE-ONGXEEELSA-N 2 2 237.351 0.728 20 0 BCADLP Cc1nc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC000329310764 388650372 /nfs/dbraw/zinc/65/03/72/388650372.db2.gz FWYKQMIUOKSLGE-ONGXEEELSA-N 2 2 237.351 0.728 20 0 BCADLP Cc1nnc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)[nH]1 ZINC000329310764 388650374 /nfs/dbraw/zinc/65/03/74/388650374.db2.gz FWYKQMIUOKSLGE-ONGXEEELSA-N 2 2 237.351 0.728 20 0 BCADLP Cc1nnc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)[nH]1 ZINC000329310764 388650376 /nfs/dbraw/zinc/65/03/76/388650376.db2.gz FWYKQMIUOKSLGE-ONGXEEELSA-N 2 2 237.351 0.728 20 0 BCADLP Cc1n[nH]c(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000329310759 388650495 /nfs/dbraw/zinc/65/04/95/388650495.db2.gz FWYKQMIUOKSLGE-GXSJLCMTSA-N 2 2 237.351 0.728 20 0 BCADLP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC000329310759 388650496 /nfs/dbraw/zinc/65/04/96/388650496.db2.gz FWYKQMIUOKSLGE-GXSJLCMTSA-N 2 2 237.351 0.728 20 0 BCADLP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC000329310759 388650500 /nfs/dbraw/zinc/65/05/00/388650500.db2.gz FWYKQMIUOKSLGE-GXSJLCMTSA-N 2 2 237.351 0.728 20 0 BCADLP Cc1nnc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)[nH]1 ZINC000329310759 388650502 /nfs/dbraw/zinc/65/05/02/388650502.db2.gz FWYKQMIUOKSLGE-GXSJLCMTSA-N 2 2 237.351 0.728 20 0 BCADLP Cc1nnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)[nH]1 ZINC000329310759 388650504 /nfs/dbraw/zinc/65/05/04/388650504.db2.gz FWYKQMIUOKSLGE-GXSJLCMTSA-N 2 2 237.351 0.728 20 0 BCADLP Cc1n[nH]c(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000329310761 388650931 /nfs/dbraw/zinc/65/09/31/388650931.db2.gz FWYKQMIUOKSLGE-KOLCDFICSA-N 2 2 237.351 0.728 20 0 BCADLP Cc1nc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)n[nH]1 ZINC000329310761 388650934 /nfs/dbraw/zinc/65/09/34/388650934.db2.gz FWYKQMIUOKSLGE-KOLCDFICSA-N 2 2 237.351 0.728 20 0 BCADLP Cc1nc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)n[nH]1 ZINC000329310761 388650938 /nfs/dbraw/zinc/65/09/38/388650938.db2.gz FWYKQMIUOKSLGE-KOLCDFICSA-N 2 2 237.351 0.728 20 0 BCADLP Cc1nnc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)[nH]1 ZINC000329310761 388650941 /nfs/dbraw/zinc/65/09/41/388650941.db2.gz FWYKQMIUOKSLGE-KOLCDFICSA-N 2 2 237.351 0.728 20 0 BCADLP Cc1nnc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)[nH]1 ZINC000329310761 388650943 /nfs/dbraw/zinc/65/09/43/388650943.db2.gz FWYKQMIUOKSLGE-KOLCDFICSA-N 2 2 237.351 0.728 20 0 BCADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1C(=O)NC ZINC000191462388 388664168 /nfs/dbraw/zinc/66/41/68/388664168.db2.gz NLVKXMCSKIDVTK-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1C(=O)NC ZINC000191462388 388664171 /nfs/dbraw/zinc/66/41/71/388664171.db2.gz NLVKXMCSKIDVTK-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP C([NH2+][C@@H]1CC[C@H]1C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423548139 388692479 /nfs/dbraw/zinc/69/24/79/388692479.db2.gz DRGDLZBOMOLWHI-SDDRHHMPSA-N 2 2 210.321 0.753 20 0 BCADLP CCNC(=O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230031458 388811503 /nfs/dbraw/zinc/81/15/03/388811503.db2.gz NYXGAEATQAOGJF-UHFFFAOYSA-N 2 2 249.358 0.974 20 0 BCADLP CCNC(=O)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230031458 388811506 /nfs/dbraw/zinc/81/15/06/388811506.db2.gz NYXGAEATQAOGJF-UHFFFAOYSA-N 2 2 249.358 0.974 20 0 BCADLP C[C@@H](C(=O)N1CCn2cc[nH+]c2C1)[NH+]1CC(C)C1 ZINC000564224555 388785618 /nfs/dbraw/zinc/78/56/18/388785618.db2.gz MRRCLSYHDOHILG-NSHDSACASA-N 2 2 248.330 0.566 20 0 BCADLP Cc1[nH+]cn(CC(=O)N2CC[NH+](C)CC2)c1C ZINC000092857011 388819956 /nfs/dbraw/zinc/81/99/56/388819956.db2.gz ZLBXUKWWQNNTQT-UHFFFAOYSA-N 2 2 236.319 0.274 20 0 BCADLP CC(C)[N@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC000554544116 388820982 /nfs/dbraw/zinc/82/09/82/388820982.db2.gz ILHVMPBCCYASJX-UHFFFAOYSA-N 2 2 238.335 0.419 20 0 BCADLP CC(C)[N@@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC000554544116 388820984 /nfs/dbraw/zinc/82/09/84/388820984.db2.gz ILHVMPBCCYASJX-UHFFFAOYSA-N 2 2 238.335 0.419 20 0 BCADLP C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000555222007 388841577 /nfs/dbraw/zinc/84/15/77/388841577.db2.gz CWDXOXVGTIBKGF-JTQLQIEISA-N 2 2 222.292 0.094 20 0 BCADLP C[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000555222007 388841583 /nfs/dbraw/zinc/84/15/83/388841583.db2.gz CWDXOXVGTIBKGF-JTQLQIEISA-N 2 2 222.292 0.094 20 0 BCADLP CC[NH+](CC)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000193325778 388851619 /nfs/dbraw/zinc/85/16/19/388851619.db2.gz AATVXYUEHTYWNM-LBPRGKRZSA-N 2 2 241.379 0.881 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CC(n2cc[nH+]c2)C1 ZINC000523689130 388852448 /nfs/dbraw/zinc/85/24/48/388852448.db2.gz BPWMUVVRUZUXAH-UHFFFAOYSA-N 2 2 245.286 0.553 20 0 BCADLP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1[NH3+] ZINC000564644722 388881870 /nfs/dbraw/zinc/88/18/70/388881870.db2.gz RYMQWGJMHMKICQ-GRYCIOLGSA-N 2 2 228.336 0.461 20 0 BCADLP C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1[NH3+] ZINC000564644722 388881874 /nfs/dbraw/zinc/88/18/74/388881874.db2.gz RYMQWGJMHMKICQ-GRYCIOLGSA-N 2 2 228.336 0.461 20 0 BCADLP CC1=CC[N@H+](CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC000564694180 388885472 /nfs/dbraw/zinc/88/54/72/388885472.db2.gz ZRCIMMUBYHSFCD-UHFFFAOYSA-N 2 2 248.330 0.651 20 0 BCADLP CC1=CC[N@@H+](CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC000564694180 388885476 /nfs/dbraw/zinc/88/54/76/388885476.db2.gz ZRCIMMUBYHSFCD-UHFFFAOYSA-N 2 2 248.330 0.651 20 0 BCADLP COc1c(C)c[nH+]c(Cn2nnnc2C[NH3+])c1C ZINC000564926976 388898059 /nfs/dbraw/zinc/89/80/59/388898059.db2.gz PHVCBSGMGKYJSL-UHFFFAOYSA-N 2 2 248.290 0.201 20 0 BCADLP CN(CCCn1cc[nH+]c1)C(=O)CCCC[NH3+] ZINC000564934547 388898457 /nfs/dbraw/zinc/89/84/57/388898457.db2.gz TYDHFVMISDMORY-UHFFFAOYSA-N 2 2 238.335 0.861 20 0 BCADLP Cc1ccc2[nH+]c(CN(C)C[C@@H](O)C[NH3+])cn2c1 ZINC000310938352 388877559 /nfs/dbraw/zinc/87/75/59/388877559.db2.gz IYNLOVBTBNNIHA-LBPRGKRZSA-N 2 2 248.330 0.394 20 0 BCADLP [NH3+]CCOCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000564989452 388905696 /nfs/dbraw/zinc/90/56/96/388905696.db2.gz LMRYWDQQRIYWDD-CHWSQXEVSA-N 3 2 241.379 0.568 20 0 BCADLP [NH3+]CCOCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000564989452 388905698 /nfs/dbraw/zinc/90/56/98/388905698.db2.gz LMRYWDQQRIYWDD-CHWSQXEVSA-N 3 2 241.379 0.568 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1cccnc1 ZINC000565095700 388913812 /nfs/dbraw/zinc/91/38/12/388913812.db2.gz MLMZSKHSWMALOD-GFCCVEGCSA-N 2 2 223.320 0.484 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1cccnc1 ZINC000565095700 388913809 /nfs/dbraw/zinc/91/38/09/388913809.db2.gz MLMZSKHSWMALOD-GFCCVEGCSA-N 2 2 223.320 0.484 20 0 BCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCn1cc[nH+]c1 ZINC000565181040 388922349 /nfs/dbraw/zinc/92/23/49/388922349.db2.gz LMDGFBPIFDRBJQ-JTQLQIEISA-N 2 2 247.302 0.601 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nc(C3CC3)nn2C)C1 ZINC000564987699 388904879 /nfs/dbraw/zinc/90/48/79/388904879.db2.gz HFJFZHUIAQMVGG-MWLCHTKSSA-N 2 2 249.362 0.862 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2nc(C3CC3)nn2C)C1 ZINC000564987699 388904876 /nfs/dbraw/zinc/90/48/76/388904876.db2.gz HFJFZHUIAQMVGG-MWLCHTKSSA-N 2 2 249.362 0.862 20 0 BCADLP CN(C)C(=O)CC1CC[NH+](CC[NH3+])CC1 ZINC000564988568 388905366 /nfs/dbraw/zinc/90/53/66/388905366.db2.gz YAOAKEFKJCQWRB-UHFFFAOYSA-N 2 2 213.325 0.135 20 0 BCADLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ncnn1C ZINC000565668393 388961693 /nfs/dbraw/zinc/96/16/93/388961693.db2.gz YAOLOVNFUCVVAW-LPEHRKFASA-N 2 2 223.324 0.736 20 0 BCADLP CCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000565489530 388949090 /nfs/dbraw/zinc/94/90/90/388949090.db2.gz YVASIBUQAAZENN-YNEHKIRRSA-N 2 2 242.363 0.552 20 0 BCADLP CCOC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000565489530 388949094 /nfs/dbraw/zinc/94/90/94/388949094.db2.gz YVASIBUQAAZENN-YNEHKIRRSA-N 2 2 242.363 0.552 20 0 BCADLP CCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000565489530 388949088 /nfs/dbraw/zinc/94/90/88/388949088.db2.gz YVASIBUQAAZENN-YNEHKIRRSA-N 2 2 242.363 0.552 20 0 BCADLP CCOC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000565489530 388949092 /nfs/dbraw/zinc/94/90/92/388949092.db2.gz YVASIBUQAAZENN-YNEHKIRRSA-N 2 2 242.363 0.552 20 0 BCADLP CSC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000566117306 388989063 /nfs/dbraw/zinc/98/90/63/388989063.db2.gz QLTUCESWQXHMCE-VHSXEESVSA-N 2 2 218.366 0.394 20 0 BCADLP CSC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000566117306 388989065 /nfs/dbraw/zinc/98/90/65/388989065.db2.gz QLTUCESWQXHMCE-VHSXEESVSA-N 2 2 218.366 0.394 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@@H]([NH3+])CC(F)F ZINC000336653248 177650447 /nfs/dbraw/zinc/65/04/47/177650447.db2.gz JCIUUTFVJBWTQS-ZETCQYMHSA-N 2 2 229.230 0.733 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000269413603 389009097 /nfs/dbraw/zinc/00/90/97/389009097.db2.gz IQXRFIWZKGJIGQ-GFCCVEGCSA-N 2 2 236.319 0.724 20 0 BCADLP CC[C@H]1C[N@H+](CCn2cc[nH+]c2)C[C@H]1O ZINC000270904527 389014443 /nfs/dbraw/zinc/01/44/43/389014443.db2.gz RSOMPOUPKSYLOO-WDEREUQCSA-N 2 2 209.293 0.586 20 0 BCADLP CC[C@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@H]1O ZINC000270904527 389014448 /nfs/dbraw/zinc/01/44/48/389014448.db2.gz RSOMPOUPKSYLOO-WDEREUQCSA-N 2 2 209.293 0.586 20 0 BCADLP C[C@@H](NCCC[NH+]1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000400511173 533382760 /nfs/dbraw/zinc/38/27/60/533382760.db2.gz FLXCCVAVLKCWPF-CHWSQXEVSA-N 2 2 241.379 0.439 20 0 BCADLP C[C@@H](NCCC[NH+]1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000400511174 533383566 /nfs/dbraw/zinc/38/35/66/533383566.db2.gz FLXCCVAVLKCWPF-OLZOCXBDSA-N 2 2 241.379 0.439 20 0 BCADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)CC(=O)NC ZINC000167540921 134004452 /nfs/dbraw/zinc/00/44/52/134004452.db2.gz XNVFSXXRUKMNAA-NSHDSACASA-N 2 2 229.368 0.833 20 0 BCADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)CC(=O)NC ZINC000167540921 134004453 /nfs/dbraw/zinc/00/44/53/134004453.db2.gz XNVFSXXRUKMNAA-NSHDSACASA-N 2 2 229.368 0.833 20 0 BCADLP CNC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000335930929 134010658 /nfs/dbraw/zinc/01/06/58/134010658.db2.gz ABXXKVPXFDYHJK-LBPRGKRZSA-N 2 2 225.336 0.150 20 0 BCADLP CNC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000335930929 134010659 /nfs/dbraw/zinc/01/06/59/134010659.db2.gz ABXXKVPXFDYHJK-LBPRGKRZSA-N 2 2 225.336 0.150 20 0 BCADLP CNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000335930929 134010660 /nfs/dbraw/zinc/01/06/60/134010660.db2.gz ABXXKVPXFDYHJK-LBPRGKRZSA-N 2 2 225.336 0.150 20 0 BCADLP CNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000335930929 134010661 /nfs/dbraw/zinc/01/06/61/134010661.db2.gz ABXXKVPXFDYHJK-LBPRGKRZSA-N 2 2 225.336 0.150 20 0 BCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1CCn1cc[nH+]c1 ZINC000335975396 134030926 /nfs/dbraw/zinc/03/09/26/134030926.db2.gz XILOPNYZIYBOSK-RYUDHWBXSA-N 2 2 222.336 0.908 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000336010457 134051037 /nfs/dbraw/zinc/05/10/37/134051037.db2.gz YXXGDCVELUIHHH-LLVKDONJSA-N 2 2 227.352 0.491 20 0 BCADLP CNC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000336111962 134086995 /nfs/dbraw/zinc/08/69/95/134086995.db2.gz CPRRMEXQDUQLIY-VIFPVBQESA-N 2 2 222.292 0.335 20 0 BCADLP CNC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000336111962 134086996 /nfs/dbraw/zinc/08/69/96/134086996.db2.gz CPRRMEXQDUQLIY-VIFPVBQESA-N 2 2 222.292 0.335 20 0 BCADLP CCn1c[nH+]cc1CNC[C@@H](C)[NH+](C)C ZINC000085183667 134225143 /nfs/dbraw/zinc/22/51/43/134225143.db2.gz QHRFNJPTXXSROR-SNVBAGLBSA-N 2 2 210.325 0.943 20 0 BCADLP [NH3+][C@@H](CNC(=O)c1ccc2[nH+]ccn2c1)C1CC1 ZINC000179570996 134321624 /nfs/dbraw/zinc/32/16/24/134321624.db2.gz LOELLLDCLRINFJ-NSHDSACASA-N 2 2 244.298 0.801 20 0 BCADLP C[C@H]([NH2+]CC[NH+](C)C)C1CCOCC1 ZINC000223848942 134343212 /nfs/dbraw/zinc/34/32/12/134343212.db2.gz PWAUORWGKDDYHK-JTQLQIEISA-N 2 2 200.326 0.953 20 0 BCADLP CO[C@@H](C)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000223945585 134343466 /nfs/dbraw/zinc/34/34/66/134343466.db2.gz YGRAIOVRXWHSBR-VIFPVBQESA-N 2 2 226.324 0.611 20 0 BCADLP COC[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)OC ZINC000227704739 134384923 /nfs/dbraw/zinc/38/49/23/134384923.db2.gz WNIHNXUDWYVNIK-MDZLAQPJSA-N 2 2 242.363 0.863 20 0 BCADLP COC[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)OC ZINC000227704739 134384925 /nfs/dbraw/zinc/38/49/25/134384925.db2.gz WNIHNXUDWYVNIK-MDZLAQPJSA-N 2 2 242.363 0.863 20 0 BCADLP C[C@@]1(C(N)=O)CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000185890641 134398909 /nfs/dbraw/zinc/39/89/09/134398909.db2.gz KVZHZKRXOSJCIK-LBPRGKRZSA-N 2 2 236.319 0.613 20 0 BCADLP C[C@@]1(C(N)=O)CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000185890641 134398912 /nfs/dbraw/zinc/39/89/12/134398912.db2.gz KVZHZKRXOSJCIK-LBPRGKRZSA-N 2 2 236.319 0.613 20 0 BCADLP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CC[C@H]1O ZINC000251851151 135079400 /nfs/dbraw/zinc/07/94/00/135079400.db2.gz TUSJHCOMCVGYIA-VXGBXAGGSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CC[C@H]1O ZINC000251851151 135079401 /nfs/dbraw/zinc/07/94/01/135079401.db2.gz TUSJHCOMCVGYIA-VXGBXAGGSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H]1C[N@H+](CC(=O)NC2CCCC2)CC[C@H]1[NH3+] ZINC000251936534 135081652 /nfs/dbraw/zinc/08/16/52/135081652.db2.gz ZFVWXVNQBYHSGS-CMPLNLGQSA-N 2 2 239.363 0.714 20 0 BCADLP C[C@H]1C[N@@H+](CC(=O)NC2CCCC2)CC[C@H]1[NH3+] ZINC000251936534 135081655 /nfs/dbraw/zinc/08/16/55/135081655.db2.gz ZFVWXVNQBYHSGS-CMPLNLGQSA-N 2 2 239.363 0.714 20 0 BCADLP Cc1nc(C[N@H+](C)CCOCC[NH3+])cs1 ZINC000086435586 135084434 /nfs/dbraw/zinc/08/44/34/135084434.db2.gz QCXRJFWQQTXYRA-UHFFFAOYSA-N 2 2 229.349 0.859 20 0 BCADLP Cc1nc(C[N@@H+](C)CCOCC[NH3+])cs1 ZINC000086435586 135084436 /nfs/dbraw/zinc/08/44/36/135084436.db2.gz QCXRJFWQQTXYRA-UHFFFAOYSA-N 2 2 229.349 0.859 20 0 BCADLP Cn1cc(C[N@H+](C)C2(C[NH3+])CCC2)cn1 ZINC000086475047 135085227 /nfs/dbraw/zinc/08/52/27/135085227.db2.gz PMLRPGJXXHYFRM-UHFFFAOYSA-N 2 2 208.309 0.733 20 0 BCADLP Cn1cc(C[N@@H+](C)C2(C[NH3+])CCC2)cn1 ZINC000086475047 135085228 /nfs/dbraw/zinc/08/52/28/135085228.db2.gz PMLRPGJXXHYFRM-UHFFFAOYSA-N 2 2 208.309 0.733 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)CC[N@@H+]1C ZINC000252165921 135085684 /nfs/dbraw/zinc/08/56/84/135085684.db2.gz QLWSMQFVIVBHBR-VWYCJHECSA-N 2 2 225.336 0.337 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)CC[N@H+]1C ZINC000252165921 135085686 /nfs/dbraw/zinc/08/56/86/135085686.db2.gz QLWSMQFVIVBHBR-VWYCJHECSA-N 2 2 225.336 0.337 20 0 BCADLP C[C@@H]1CCC[N@H+](CC(=O)N(C)C)[C@H]1C[NH3+] ZINC000252202675 135087035 /nfs/dbraw/zinc/08/70/35/135087035.db2.gz UKPKMXJBAVXKLU-ZJUUUORDSA-N 2 2 213.325 0.134 20 0 BCADLP C[C@@H]1CCC[N@@H+](CC(=O)N(C)C)[C@H]1C[NH3+] ZINC000252202675 135087036 /nfs/dbraw/zinc/08/70/36/135087036.db2.gz UKPKMXJBAVXKLU-ZJUUUORDSA-N 2 2 213.325 0.134 20 0 BCADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252708881 135098861 /nfs/dbraw/zinc/09/88/61/135098861.db2.gz BJKGMWOEMJYVEW-KXUCPTDWSA-N 2 2 213.325 0.051 20 0 BCADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252708881 135098863 /nfs/dbraw/zinc/09/88/63/135098863.db2.gz BJKGMWOEMJYVEW-KXUCPTDWSA-N 2 2 213.325 0.051 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000086886765 135100574 /nfs/dbraw/zinc/10/05/74/135100574.db2.gz AVOYRZPUSJOYDW-GHMZBOCLSA-N 2 2 227.352 0.572 20 0 BCADLP CCCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000086886765 135100576 /nfs/dbraw/zinc/10/05/76/135100576.db2.gz AVOYRZPUSJOYDW-GHMZBOCLSA-N 2 2 227.352 0.572 20 0 BCADLP CC(C)N(C)C(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000086886995 135100809 /nfs/dbraw/zinc/10/08/09/135100809.db2.gz TWPCYKZDCVBWOP-QWRGUYRKSA-N 2 2 227.352 0.522 20 0 BCADLP CC(C)N(C)C(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000086886995 135100812 /nfs/dbraw/zinc/10/08/12/135100812.db2.gz TWPCYKZDCVBWOP-QWRGUYRKSA-N 2 2 227.352 0.522 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886330 135100954 /nfs/dbraw/zinc/10/09/54/135100954.db2.gz RBTWPSQATNWGQD-ZJUUUORDSA-N 2 2 213.325 0.180 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886330 135100957 /nfs/dbraw/zinc/10/09/57/135100957.db2.gz RBTWPSQATNWGQD-ZJUUUORDSA-N 2 2 213.325 0.180 20 0 BCADLP C[C@H](C[NH2+][C@@H](C)[C@H]1CCOC1)[NH+](C)C ZINC000252715432 135101405 /nfs/dbraw/zinc/10/14/05/135101405.db2.gz VNPSSCPCZVMHGA-VWYCJHECSA-N 2 2 200.326 0.951 20 0 BCADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)[C@H](C)CO ZINC000252714388 135101729 /nfs/dbraw/zinc/10/17/29/135101729.db2.gz RVVAOVNJBCLRNK-MXWKQRLJSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)[C@H](C)CO ZINC000252714388 135101731 /nfs/dbraw/zinc/10/17/31/135101731.db2.gz RVVAOVNJBCLRNK-MXWKQRLJSA-N 2 2 212.337 0.830 20 0 BCADLP COCC[C@H](C)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000252958368 135117594 /nfs/dbraw/zinc/11/75/94/135117594.db2.gz LFFHYVXNAQGHMG-SRVKXCTJSA-N 2 2 230.352 0.768 20 0 BCADLP [NH3+]CC[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000262944949 135123364 /nfs/dbraw/zinc/12/33/64/135123364.db2.gz JCFNOEIOBYTWPY-UHFFFAOYSA-N 2 2 239.363 0.670 20 0 BCADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)CC[C@H]1O ZINC000253313758 135126224 /nfs/dbraw/zinc/12/62/24/135126224.db2.gz XDELYXDOGPCCFQ-GHMZBOCLSA-N 2 2 209.293 0.586 20 0 BCADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CC[C@H]1O ZINC000253313758 135126226 /nfs/dbraw/zinc/12/62/26/135126226.db2.gz XDELYXDOGPCCFQ-GHMZBOCLSA-N 2 2 209.293 0.586 20 0 BCADLP c1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)n[nH]1 ZINC000257664407 135138346 /nfs/dbraw/zinc/13/83/46/135138346.db2.gz GXZDZSUZZWUGCR-LLVKDONJSA-N 2 2 206.293 0.595 20 0 BCADLP c1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)n[nH]1 ZINC000257664407 135138348 /nfs/dbraw/zinc/13/83/48/135138348.db2.gz GXZDZSUZZWUGCR-LLVKDONJSA-N 2 2 206.293 0.595 20 0 BCADLP Cc1[nH]ncc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261545705 135150389 /nfs/dbraw/zinc/15/03/89/135150389.db2.gz KERXZRKXILKGAW-PSASIEDQSA-N 2 2 208.309 0.887 20 0 BCADLP Cc1[nH]ncc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261545705 135150390 /nfs/dbraw/zinc/15/03/90/135150390.db2.gz KERXZRKXILKGAW-PSASIEDQSA-N 2 2 208.309 0.887 20 0 BCADLP CCN(CC)C(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000087653349 135161240 /nfs/dbraw/zinc/16/12/40/135161240.db2.gz UPNVPFDIOYHXMJ-UHFFFAOYSA-N 2 2 213.325 0.276 20 0 BCADLP CCN(CC)C(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000087653349 135161242 /nfs/dbraw/zinc/16/12/42/135161242.db2.gz UPNVPFDIOYHXMJ-UHFFFAOYSA-N 2 2 213.325 0.276 20 0 BCADLP CCNC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269680015 135166362 /nfs/dbraw/zinc/16/63/62/135166362.db2.gz ZRDKEEYLMJZVCH-JTQLQIEISA-N 2 2 236.319 0.725 20 0 BCADLP CCNC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269680015 135166363 /nfs/dbraw/zinc/16/63/63/135166363.db2.gz ZRDKEEYLMJZVCH-JTQLQIEISA-N 2 2 236.319 0.725 20 0 BCADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccnn1C ZINC000261538923 135177005 /nfs/dbraw/zinc/17/70/05/135177005.db2.gz ZUGYLWAOAZZDNV-NSHDSACASA-N 2 2 210.325 0.883 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261541863 135181683 /nfs/dbraw/zinc/18/16/83/135181683.db2.gz BRDFVLPIXLGXEM-WCQYABFASA-N 2 2 239.363 0.587 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261541863 135181684 /nfs/dbraw/zinc/18/16/84/135181684.db2.gz BRDFVLPIXLGXEM-WCQYABFASA-N 2 2 239.363 0.587 20 0 BCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261551307 135190193 /nfs/dbraw/zinc/19/01/93/135190193.db2.gz MBWLVFMXZXENRQ-YPMHNXCESA-N 2 2 241.379 0.818 20 0 BCADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261551307 135190195 /nfs/dbraw/zinc/19/01/95/135190195.db2.gz MBWLVFMXZXENRQ-YPMHNXCESA-N 2 2 241.379 0.818 20 0 BCADLP CC(C)NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000261566148 135208281 /nfs/dbraw/zinc/20/82/81/135208281.db2.gz DJNJWJLURRDTGM-LLVKDONJSA-N 2 2 213.325 0.228 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261567035 135209571 /nfs/dbraw/zinc/20/95/71/135209571.db2.gz DVKKXTAGSGLGKI-CMPLNLGQSA-N 2 2 220.320 0.604 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261567037 135209583 /nfs/dbraw/zinc/20/95/83/135209583.db2.gz DVKKXTAGSGLGKI-PWSUYJOCSA-N 2 2 220.320 0.604 20 0 BCADLP CCOC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261571358 135213473 /nfs/dbraw/zinc/21/34/73/135213473.db2.gz HMZIGZHRWBRFQT-PWSUYJOCSA-N 2 2 226.320 0.623 20 0 BCADLP CCOC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261571358 135213475 /nfs/dbraw/zinc/21/34/75/135213475.db2.gz HMZIGZHRWBRFQT-PWSUYJOCSA-N 2 2 226.320 0.623 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261576816 135218680 /nfs/dbraw/zinc/21/86/80/135218680.db2.gz KOMZONLXCOAASW-WDEREUQCSA-N 2 2 225.336 0.195 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261576816 135218681 /nfs/dbraw/zinc/21/86/81/135218681.db2.gz KOMZONLXCOAASW-WDEREUQCSA-N 2 2 225.336 0.195 20 0 BCADLP Cc1cnn(CC[N@@H+](C)[C@@H](C[NH3+])C2CC2)c1 ZINC000261578585 135219860 /nfs/dbraw/zinc/21/98/60/135219860.db2.gz LSYSVHHKAHIFLE-LBPRGKRZSA-N 2 2 222.336 0.861 20 0 BCADLP Cc1cnn(CC[N@H+](C)[C@@H](C[NH3+])C2CC2)c1 ZINC000261578585 135219862 /nfs/dbraw/zinc/21/98/62/135219862.db2.gz LSYSVHHKAHIFLE-LBPRGKRZSA-N 2 2 222.336 0.861 20 0 BCADLP Cc1[nH]c(C(=O)NCC2([NH3+])CCC2)c[nH+]1 ZINC000261580164 135220789 /nfs/dbraw/zinc/22/07/89/135220789.db2.gz MSIPJOFHLVTZGT-UHFFFAOYSA-N 2 2 208.265 0.329 20 0 BCADLP Cn1nccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261598108 135236591 /nfs/dbraw/zinc/23/65/91/135236591.db2.gz ZKXBMBYRPRINQT-GHMZBOCLSA-N 2 2 220.320 0.461 20 0 BCADLP Cn1nccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261598108 135236592 /nfs/dbraw/zinc/23/65/92/135236592.db2.gz ZKXBMBYRPRINQT-GHMZBOCLSA-N 2 2 220.320 0.461 20 0 BCADLP Cn1nccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261598113 135236595 /nfs/dbraw/zinc/23/65/95/135236595.db2.gz ZKXBMBYRPRINQT-WDEREUQCSA-N 2 2 220.320 0.461 20 0 BCADLP Cn1nccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261598113 135236597 /nfs/dbraw/zinc/23/65/97/135236597.db2.gz ZKXBMBYRPRINQT-WDEREUQCSA-N 2 2 220.320 0.461 20 0 BCADLP CCCNC(=O)[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000261547915 135240776 /nfs/dbraw/zinc/24/07/76/135240776.db2.gz MUAXWUNOHDDTIO-VIFPVBQESA-N 2 2 213.325 0.372 20 0 BCADLP O=C([C@H]1CCC[NH2+]1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000261687830 135246223 /nfs/dbraw/zinc/24/62/23/135246223.db2.gz KMQGAYZKBIMXGF-LLVKDONJSA-N 2 2 248.330 0.868 20 0 BCADLP O=C([C@H]1CCC[NH2+]1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000261687830 135246224 /nfs/dbraw/zinc/24/62/24/135246224.db2.gz KMQGAYZKBIMXGF-LLVKDONJSA-N 2 2 248.330 0.868 20 0 BCADLP c1c(CCNC2=[NH+]CCCN2)[nH+]c2n1CCCC2 ZINC000261701363 135246449 /nfs/dbraw/zinc/24/64/49/135246449.db2.gz CMVVHGMPNODJSK-UHFFFAOYSA-N 2 2 247.346 0.701 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)Nc2ccncc2)C1 ZINC000261721865 135248451 /nfs/dbraw/zinc/24/84/51/135248451.db2.gz NMIMXRIOYIROJV-ZDUSSCGKSA-N 2 2 248.330 0.691 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2ccncc2)C1 ZINC000261721865 135248452 /nfs/dbraw/zinc/24/84/52/135248452.db2.gz NMIMXRIOYIROJV-ZDUSSCGKSA-N 2 2 248.330 0.691 20 0 BCADLP Cc1cccn2cc(CNC(=O)C[C@@H](C)[NH3+])[nH+]c12 ZINC000261732177 135248559 /nfs/dbraw/zinc/24/85/59/135248559.db2.gz FZBGLTSGKKGIHY-SNVBAGLBSA-N 2 2 246.314 0.996 20 0 BCADLP C[C@@H]([NH3+])C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000261761500 135250374 /nfs/dbraw/zinc/25/03/74/135250374.db2.gz IATRZYLTNVMNRC-BDAKNGLRSA-N 2 2 222.292 0.811 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CC(=O)N1C ZINC000261765554 135250964 /nfs/dbraw/zinc/25/09/64/135250964.db2.gz LUVVACOSHFLIDX-PWSUYJOCSA-N 2 2 225.336 0.149 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC(=O)N1C ZINC000261765554 135250965 /nfs/dbraw/zinc/25/09/65/135250965.db2.gz LUVVACOSHFLIDX-PWSUYJOCSA-N 2 2 225.336 0.149 20 0 BCADLP Cc1cccc2[nH+]c(CNC(=O)C[C@H](C)[NH3+])cn21 ZINC000261786339 135252655 /nfs/dbraw/zinc/25/26/55/135252655.db2.gz KASAKZHRNNRHDY-VIFPVBQESA-N 2 2 246.314 0.996 20 0 BCADLP CCN(CC)C(=O)C[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261866348 135258177 /nfs/dbraw/zinc/25/81/77/135258177.db2.gz NZRXAOCADUOKHI-ZDUSSCGKSA-N 2 2 241.379 0.786 20 0 BCADLP CCN(CC)C(=O)C[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261866348 135258179 /nfs/dbraw/zinc/25/81/79/135258179.db2.gz NZRXAOCADUOKHI-ZDUSSCGKSA-N 2 2 241.379 0.786 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000261890691 135261096 /nfs/dbraw/zinc/26/10/96/135261096.db2.gz XKLMIUQHWSNJDQ-LPEHRKFASA-N 2 2 225.336 0.310 20 0 BCADLP CC(C)([NH3+])C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000261890691 135261097 /nfs/dbraw/zinc/26/10/97/135261097.db2.gz XKLMIUQHWSNJDQ-LPEHRKFASA-N 2 2 225.336 0.310 20 0 BCADLP [NH3+]CC[N@H+](CCO)CCCOCC(F)(F)F ZINC000342386975 135269967 /nfs/dbraw/zinc/26/99/67/135269967.db2.gz LXRKTSVKWJCXHS-UHFFFAOYSA-N 2 2 244.257 0.208 20 0 BCADLP [NH3+]CC[N@@H+](CCO)CCCOCC(F)(F)F ZINC000342386975 135269969 /nfs/dbraw/zinc/26/99/69/135269969.db2.gz LXRKTSVKWJCXHS-UHFFFAOYSA-N 2 2 244.257 0.208 20 0 BCADLP C[C@H]1CCCC[C@H]1OCC[N@H+](CC[NH3+])CCO ZINC000342386891 135270109 /nfs/dbraw/zinc/27/01/09/135270109.db2.gz LRVRSEORVCVIKZ-QWHCGFSZSA-N 2 2 244.379 0.835 20 0 BCADLP C[C@H]1CCCC[C@H]1OCC[N@@H+](CC[NH3+])CCO ZINC000342386891 135270110 /nfs/dbraw/zinc/27/01/10/135270110.db2.gz LRVRSEORVCVIKZ-QWHCGFSZSA-N 2 2 244.379 0.835 20 0 BCADLP [NH3+]CC[N@H+](CCO)CCOc1ccccc1F ZINC000342390625 135270145 /nfs/dbraw/zinc/27/01/45/135270145.db2.gz QHRGJUZHWOAHPC-UHFFFAOYSA-N 2 2 242.294 0.458 20 0 BCADLP [NH3+]CC[N@@H+](CCO)CCOc1ccccc1F ZINC000342390625 135270146 /nfs/dbraw/zinc/27/01/46/135270146.db2.gz QHRGJUZHWOAHPC-UHFFFAOYSA-N 2 2 242.294 0.458 20 0 BCADLP C[C@@]1(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)CC[NH2+]C1 ZINC000262009232 135271984 /nfs/dbraw/zinc/27/19/84/135271984.db2.gz MDGMWHLLOOBZRD-DGCLKSJQSA-N 2 2 237.347 0.293 20 0 BCADLP C[C@@]1(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)CC[NH2+]C1 ZINC000262009232 135271985 /nfs/dbraw/zinc/27/19/85/135271985.db2.gz MDGMWHLLOOBZRD-DGCLKSJQSA-N 2 2 237.347 0.293 20 0 BCADLP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@H](CO)O1 ZINC000262118954 135279522 /nfs/dbraw/zinc/27/95/22/135279522.db2.gz XEVOUTXZNZWLSZ-IJLUTSLNSA-N 2 2 228.336 0.068 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@H](CO)O1 ZINC000262118954 135279524 /nfs/dbraw/zinc/27/95/24/135279524.db2.gz XEVOUTXZNZWLSZ-IJLUTSLNSA-N 2 2 228.336 0.068 20 0 BCADLP CN(C)c1[nH+]cccc1CNC(=O)CCC[NH3+] ZINC000262124355 135280638 /nfs/dbraw/zinc/28/06/38/135280638.db2.gz JEPJFGMYFXBFQU-UHFFFAOYSA-N 2 2 236.319 0.503 20 0 BCADLP C[C@@H](C[NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000262342468 135293881 /nfs/dbraw/zinc/29/38/81/135293881.db2.gz HZZKGXRQRRHTCB-VIFPVBQESA-N 2 2 232.287 0.545 20 0 BCADLP C[C@@H](C[NH3+])C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000262440163 135299849 /nfs/dbraw/zinc/29/98/49/135299849.db2.gz UUDXPVVOTRYFII-VIFPVBQESA-N 2 2 236.319 0.359 20 0 BCADLP CCO[C@H]1C[C@H](O)C12CC[NH+](CC[NH3+])CC2 ZINC000262915792 135324131 /nfs/dbraw/zinc/32/41/31/135324131.db2.gz GFNXLOWSILEYRR-QWRGUYRKSA-N 2 2 228.336 0.197 20 0 BCADLP CC(C)C(=O)N1CCC[N@H+](CC(C)(C)[NH3+])CC1 ZINC000334305176 135348573 /nfs/dbraw/zinc/34/85/73/135348573.db2.gz GNSBSCIYWWDOPL-UHFFFAOYSA-N 2 2 241.379 0.914 20 0 BCADLP CC(C)C(=O)N1CCC[N@@H+](CC(C)(C)[NH3+])CC1 ZINC000334305176 135348575 /nfs/dbraw/zinc/34/85/75/135348575.db2.gz GNSBSCIYWWDOPL-UHFFFAOYSA-N 2 2 241.379 0.914 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000334374425 135377315 /nfs/dbraw/zinc/37/73/15/135377315.db2.gz CTPADVQBDOTYOE-LBPRGKRZSA-N 2 2 237.347 0.387 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000334374425 135377316 /nfs/dbraw/zinc/37/73/16/135377316.db2.gz CTPADVQBDOTYOE-LBPRGKRZSA-N 2 2 237.347 0.387 20 0 BCADLP C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C[C@H]1O ZINC000299891449 135381382 /nfs/dbraw/zinc/38/13/82/135381382.db2.gz TWQKIGGHFHTAIK-GHMZBOCLSA-N 2 2 209.293 0.586 20 0 BCADLP C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C[C@H]1O ZINC000299891449 135381384 /nfs/dbraw/zinc/38/13/84/135381384.db2.gz TWQKIGGHFHTAIK-GHMZBOCLSA-N 2 2 209.293 0.586 20 0 BCADLP C[NH+]1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000080992954 135384427 /nfs/dbraw/zinc/38/44/27/135384427.db2.gz JGZKQMVAXOLGIP-NSHDSACASA-N 2 2 225.336 0.293 20 0 BCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC000081516192 135387599 /nfs/dbraw/zinc/38/75/99/135387599.db2.gz DIXLZKLFJXUOQO-LBPRGKRZSA-N 2 2 241.379 0.738 20 0 BCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC000081516192 135387600 /nfs/dbraw/zinc/38/76/00/135387600.db2.gz DIXLZKLFJXUOQO-LBPRGKRZSA-N 2 2 241.379 0.738 20 0 BCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC000081516192 135387601 /nfs/dbraw/zinc/38/76/01/135387601.db2.gz DIXLZKLFJXUOQO-LBPRGKRZSA-N 2 2 241.379 0.738 20 0 BCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC000081516192 135387602 /nfs/dbraw/zinc/38/76/02/135387602.db2.gz DIXLZKLFJXUOQO-LBPRGKRZSA-N 2 2 241.379 0.738 20 0 BCADLP Cc1cc(NC(=O)N2CC([NH+](C)C)C2)cc[nH+]1 ZINC000334414900 135397144 /nfs/dbraw/zinc/39/71/44/135397144.db2.gz NHVKGNFTKQDQFM-UHFFFAOYSA-N 2 2 234.303 0.590 20 0 BCADLP [NH3+]C1(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CCC1 ZINC000335284919 136002077 /nfs/dbraw/zinc/00/20/77/136002077.db2.gz NIKGVHFDJMAFSF-MRVPVSSYSA-N 2 2 247.289 0.229 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1CCOC[C@@H]1C ZINC000347775874 136009122 /nfs/dbraw/zinc/00/91/22/136009122.db2.gz LDFGMVMPKHKWNP-AGIUHOORSA-N 2 2 241.379 0.247 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1CCOC[C@@H]1C ZINC000347775874 136009123 /nfs/dbraw/zinc/00/91/23/136009123.db2.gz LDFGMVMPKHKWNP-AGIUHOORSA-N 2 2 241.379 0.247 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2C=C[C@@H](CO)C2)C1 ZINC000348182976 136043635 /nfs/dbraw/zinc/04/36/35/136043635.db2.gz MSDBJWGFSYCCNF-UMSGYPCISA-N 2 2 224.348 0.853 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2C=C[C@@H](CO)C2)C1 ZINC000348182976 136043636 /nfs/dbraw/zinc/04/36/36/136043636.db2.gz MSDBJWGFSYCCNF-UMSGYPCISA-N 2 2 224.348 0.853 20 0 BCADLP C[N@H+]([C@@H]1CCOC1)C1CC[NH+](CCO)CC1 ZINC000348274246 136058773 /nfs/dbraw/zinc/05/87/73/136058773.db2.gz GZWVADHIJXWGGZ-GFCCVEGCSA-N 2 2 228.336 0.164 20 0 BCADLP C[N@@H+]([C@@H]1CCOC1)C1CC[NH+](CCO)CC1 ZINC000348274246 136058774 /nfs/dbraw/zinc/05/87/74/136058774.db2.gz GZWVADHIJXWGGZ-GFCCVEGCSA-N 2 2 228.336 0.164 20 0 BCADLP COCC[C@H](C)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166128314 136077028 /nfs/dbraw/zinc/07/70/28/136077028.db2.gz LFFHYVXNAQGHMG-SDDRHHMPSA-N 2 2 230.352 0.768 20 0 BCADLP Cn1cc(CC[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cn1 ZINC000367048412 136113569 /nfs/dbraw/zinc/11/35/69/136113569.db2.gz UXIHUWADVCANLM-UONOGXRCSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1cc(CC[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cn1 ZINC000367048412 136113570 /nfs/dbraw/zinc/11/35/70/136113570.db2.gz UXIHUWADVCANLM-UONOGXRCSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1cc(CC[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cn1 ZINC000367048412 136113571 /nfs/dbraw/zinc/11/35/71/136113571.db2.gz UXIHUWADVCANLM-UONOGXRCSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1cc(CC[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cn1 ZINC000367048412 136113572 /nfs/dbraw/zinc/11/35/72/136113572.db2.gz UXIHUWADVCANLM-UONOGXRCSA-N 2 2 248.374 0.989 20 0 BCADLP CC[N@H+](C)CCNC(=O)CCn1cc[nH+]c1 ZINC000264921374 397929118 /nfs/dbraw/zinc/92/91/18/397929118.db2.gz KGCYGWBJHCSRNB-UHFFFAOYSA-N 2 2 224.308 0.341 20 0 BCADLP CC[N@@H+](C)CCNC(=O)CCn1cc[nH+]c1 ZINC000264921374 397929121 /nfs/dbraw/zinc/92/91/21/397929121.db2.gz KGCYGWBJHCSRNB-UHFFFAOYSA-N 2 2 224.308 0.341 20 0 BCADLP CC(C)C(=O)NC1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000442654929 397934497 /nfs/dbraw/zinc/93/44/97/397934497.db2.gz BRCSWABQIZVVAS-SNVBAGLBSA-N 2 2 227.352 0.570 20 0 BCADLP C([C@H]1CC[NH2+]C1)[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000647891439 397934810 /nfs/dbraw/zinc/93/48/10/397934810.db2.gz BQECYHAOVRSZFM-AVGNSLFASA-N 2 2 240.347 0.476 20 0 BCADLP C([C@H]1CC[NH2+]C1)[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000647891439 397934811 /nfs/dbraw/zinc/93/48/11/397934811.db2.gz BQECYHAOVRSZFM-AVGNSLFASA-N 2 2 240.347 0.476 20 0 BCADLP O=C1CC[C@@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)N1 ZINC000649549199 397940303 /nfs/dbraw/zinc/94/03/03/397940303.db2.gz XLXVCMKRXNUBRW-NSHDSACASA-N 2 2 248.330 0.868 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000389524912 397962474 /nfs/dbraw/zinc/96/24/74/397962474.db2.gz HPBWBZGOUYEZKC-GHMZBOCLSA-N 2 2 225.336 0.339 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000389524912 397962476 /nfs/dbraw/zinc/96/24/76/397962476.db2.gz HPBWBZGOUYEZKC-GHMZBOCLSA-N 2 2 225.336 0.339 20 0 BCADLP NC(=O)C[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647884904 397925718 /nfs/dbraw/zinc/92/57/18/397925718.db2.gz IJRDWXVNBVUXHU-ZDUSSCGKSA-N 2 2 247.342 0.583 20 0 BCADLP NC(=O)C[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647884904 397925720 /nfs/dbraw/zinc/92/57/20/397925720.db2.gz IJRDWXVNBVUXHU-ZDUSSCGKSA-N 2 2 247.342 0.583 20 0 BCADLP C[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000637863192 398032503 /nfs/dbraw/zinc/03/25/03/398032503.db2.gz VHVPXHXUPJBPON-JTQLQIEISA-N 2 2 236.319 0.471 20 0 BCADLP Cc1ccc2[nH+]c(CNC(=O)C[NH3+])cn2c1 ZINC000083909199 398035594 /nfs/dbraw/zinc/03/55/94/398035594.db2.gz PQMZMBJYSDFUDP-UHFFFAOYSA-N 2 2 218.260 0.218 20 0 BCADLP C[NH+](C)CCN1CC[N@H+](CCCF)CC1=O ZINC000649687341 398036649 /nfs/dbraw/zinc/03/66/49/398036649.db2.gz MYAIDYAXFGTZPY-UHFFFAOYSA-N 2 2 231.315 0.052 20 0 BCADLP C[NH+](C)CCN1CC[N@@H+](CCCF)CC1=O ZINC000649687341 398036651 /nfs/dbraw/zinc/03/66/51/398036651.db2.gz MYAIDYAXFGTZPY-UHFFFAOYSA-N 2 2 231.315 0.052 20 0 BCADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000382754211 397971701 /nfs/dbraw/zinc/97/17/01/397971701.db2.gz KNVDWUFWYFELJJ-QWRGUYRKSA-N 2 2 241.379 0.831 20 0 BCADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000382754211 397971704 /nfs/dbraw/zinc/97/17/04/397971704.db2.gz KNVDWUFWYFELJJ-QWRGUYRKSA-N 2 2 241.379 0.831 20 0 BCADLP CCO[C@@H]1COCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000362018498 397978441 /nfs/dbraw/zinc/97/84/41/397978441.db2.gz DVTVQTLEWZRPHR-VXGBXAGGSA-N 2 2 239.319 0.667 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCc1cn[nH]c1 ZINC000389616290 398116589 /nfs/dbraw/zinc/11/65/89/398116589.db2.gz GRFOCYLIRWFLHX-NSHDSACASA-N 2 2 208.309 0.636 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCc1cn[nH]c1 ZINC000389616290 398116593 /nfs/dbraw/zinc/11/65/93/398116593.db2.gz GRFOCYLIRWFLHX-NSHDSACASA-N 2 2 208.309 0.636 20 0 BCADLP C[C@H]1C[C@H]([NH2+]Cc2cc[nH]n2)CC[N@@H+]1C ZINC000090720720 398111510 /nfs/dbraw/zinc/11/15/10/398111510.db2.gz AXSYBELEZURMFE-VHSXEESVSA-N 2 2 208.309 0.982 20 0 BCADLP C[C@H]1C[C@H]([NH2+]Cc2cc[nH]n2)CC[N@H+]1C ZINC000090720720 398111511 /nfs/dbraw/zinc/11/15/11/398111511.db2.gz AXSYBELEZURMFE-VHSXEESVSA-N 2 2 208.309 0.982 20 0 BCADLP C[C@@H](C[NH3+])[NH2+]Cc1ccccc1N1CCOCC1 ZINC000414949627 398123737 /nfs/dbraw/zinc/12/37/37/398123737.db2.gz ZXJNIOPWMWFZQZ-LBPRGKRZSA-N 2 2 249.358 0.960 20 0 BCADLP CC(C)NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124293184 167049527 /nfs/dbraw/zinc/04/95/27/167049527.db2.gz MMJCVVBZHWTENT-UHFFFAOYSA-N 2 2 238.335 0.730 20 0 BCADLP CC(C)[NH2+]C1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000116277136 167094854 /nfs/dbraw/zinc/09/48/54/167094854.db2.gz GMNXQEUHNOJDTN-LBPRGKRZSA-N 2 2 239.363 0.680 20 0 BCADLP CC(C)[NH2+]C1CC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000336648337 167095196 /nfs/dbraw/zinc/09/51/96/167095196.db2.gz CLGIVPONVUDJDC-RYUDHWBXSA-N 2 2 228.336 0.209 20 0 BCADLP CC[N@@H+](Cc1ccccn1)C[C@H]1C[NH2+]CCO1 ZINC000094916673 487563840 /nfs/dbraw/zinc/56/38/40/487563840.db2.gz JJTHCPJXFOSKCO-CYBMUJFWSA-N 2 2 235.331 0.892 20 0 BCADLP CC[N@H+](Cc1ccccn1)C[C@H]1C[NH2+]CCO1 ZINC000094916673 487563847 /nfs/dbraw/zinc/56/38/47/487563847.db2.gz JJTHCPJXFOSKCO-CYBMUJFWSA-N 2 2 235.331 0.892 20 0 BCADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)c1[nH]cc[nH+]1 ZINC000141028624 487566259 /nfs/dbraw/zinc/56/62/59/487566259.db2.gz PLIMWMVOJHXZOW-SECBINFHSA-N 2 2 233.275 0.874 20 0 BCADLP CC[C@@H](Cn1cncn1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000685645220 487570016 /nfs/dbraw/zinc/57/00/16/487570016.db2.gz BTULDUWDNDRJEA-RYUDHWBXSA-N 2 2 237.351 0.741 20 0 BCADLP CC[C@@H](Cn1cncn1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000685645220 487570022 /nfs/dbraw/zinc/57/00/22/487570022.db2.gz BTULDUWDNDRJEA-RYUDHWBXSA-N 2 2 237.351 0.741 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000228012067 487576699 /nfs/dbraw/zinc/57/66/99/487576699.db2.gz NCZXKVWWCFZZDW-IJLUTSLNSA-N 2 2 210.321 0.707 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000565479333 322905099 /nfs/dbraw/zinc/90/50/99/322905099.db2.gz VPSLXOZDLRUURY-WDEREUQCSA-N 2 2 238.335 0.715 20 0 BCADLP Cn1cc[nH+]c1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000082304024 487590878 /nfs/dbraw/zinc/59/08/78/487590878.db2.gz PCVVZQHJVACORE-NXEZZACHSA-N 2 2 206.293 0.071 20 0 BCADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@H]1C ZINC000653092776 487592696 /nfs/dbraw/zinc/59/26/96/487592696.db2.gz KZRXPHQWBOOWTR-GMTAPVOTSA-N 2 2 227.352 0.380 20 0 BCADLP CC1(C(N)=O)C[NH+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668271363 487599687 /nfs/dbraw/zinc/59/96/87/487599687.db2.gz BAHBXPBFKCXLSW-UHFFFAOYSA-N 2 2 234.303 0.137 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(N)nc2)C1 ZINC000647516145 487601217 /nfs/dbraw/zinc/60/12/17/487601217.db2.gz QECWHNKUJZYVKY-LBPRGKRZSA-N 2 2 234.347 1.047 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(N)nc2)C1 ZINC000647516145 487601221 /nfs/dbraw/zinc/60/12/21/487601221.db2.gz QECWHNKUJZYVKY-LBPRGKRZSA-N 2 2 234.347 1.047 20 0 BCADLP Cn1c[nH+]cc1CCC[NH2+]CC1([NH3+])CCC1 ZINC000662266273 409563422 /nfs/dbraw/zinc/56/34/22/409563422.db2.gz LBTVKYSJCVLYJQ-UHFFFAOYSA-N 3 2 222.336 0.824 20 0 BCADLP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)ncn1 ZINC000662243207 409534060 /nfs/dbraw/zinc/53/40/60/409534060.db2.gz GQYLULQXQOTHBN-SKDRFNHKSA-N 2 2 220.320 0.954 20 0 BCADLP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)ncn1 ZINC000662243207 409534071 /nfs/dbraw/zinc/53/40/71/409534071.db2.gz GQYLULQXQOTHBN-SKDRFNHKSA-N 2 2 220.320 0.954 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC(C)(C)C1 ZINC000653088785 409618597 /nfs/dbraw/zinc/61/85/97/409618597.db2.gz LZQHJXAGKGMLHJ-SNVBAGLBSA-N 2 2 227.352 0.524 20 0 BCADLP CCC1(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CCC1 ZINC000653089712 409623230 /nfs/dbraw/zinc/62/32/30/409623230.db2.gz RKBUGAVBNZPHDO-LLVKDONJSA-N 2 2 241.379 0.962 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000653090861 409639029 /nfs/dbraw/zinc/63/90/29/409639029.db2.gz ATLCRWCAYQOBPO-SRVKXCTJSA-N 2 2 239.363 0.524 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)CC[C@H]1[NH3+] ZINC000662270759 409572798 /nfs/dbraw/zinc/57/27/98/409572798.db2.gz MWJJVOMOZOFUFA-IJLUTSLNSA-N 3 2 227.352 0.034 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)CC[C@H]1[NH3+] ZINC000662270759 409572807 /nfs/dbraw/zinc/57/28/07/409572807.db2.gz MWJJVOMOZOFUFA-IJLUTSLNSA-N 3 2 227.352 0.034 20 0 BCADLP CC[C@@H](C)N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653074236 409578377 /nfs/dbraw/zinc/57/83/77/409578377.db2.gz AMGFXDKNNZAJKA-NXEZZACHSA-N 2 2 215.341 0.522 20 0 BCADLP C[N@@H+](Cc1cnn(C(C)(C)C)c1)C[C@H](O)C[NH3+] ZINC000662277287 409590482 /nfs/dbraw/zinc/59/04/82/409590482.db2.gz PERAHCUGILYBHO-LLVKDONJSA-N 2 2 240.351 0.390 20 0 BCADLP C[N@H+](Cc1cnn(C(C)(C)C)c1)C[C@H](O)C[NH3+] ZINC000662277287 409590491 /nfs/dbraw/zinc/59/04/91/409590491.db2.gz PERAHCUGILYBHO-LLVKDONJSA-N 2 2 240.351 0.390 20 0 BCADLP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653077569 409594517 /nfs/dbraw/zinc/59/45/17/409594517.db2.gz CUSRVLZRKOJHRZ-ZJUUUORDSA-N 2 2 213.325 0.134 20 0 BCADLP C[C@@H]1CC[C@H](C)N(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653093035 409692626 /nfs/dbraw/zinc/69/26/26/409692626.db2.gz UABXJDPSIRMXHB-WOPDTQHZSA-N 2 2 241.379 0.912 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000660726933 409664190 /nfs/dbraw/zinc/66/41/90/409664190.db2.gz ZDCPKPRJHWWNAP-VIFPVBQESA-N 2 2 222.292 0.012 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000660726933 409664197 /nfs/dbraw/zinc/66/41/97/409664197.db2.gz ZDCPKPRJHWWNAP-VIFPVBQESA-N 2 2 222.292 0.012 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCCS1 ZINC000653092335 409674702 /nfs/dbraw/zinc/67/47/02/409674702.db2.gz ZJEYZUYMLKSUQE-UWVGGRQHSA-N 2 2 245.392 0.277 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000660809896 409778704 /nfs/dbraw/zinc/77/87/04/409778704.db2.gz AIGRSHUAQCHGBQ-PWSUYJOCSA-N 2 2 239.319 0.273 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000660809896 409778710 /nfs/dbraw/zinc/77/87/10/409778710.db2.gz AIGRSHUAQCHGBQ-PWSUYJOCSA-N 2 2 239.319 0.273 20 0 BCADLP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H]1C ZINC000653102521 409795260 /nfs/dbraw/zinc/79/52/60/409795260.db2.gz ZTYQQQKYSQVTJP-MXWKQRLJSA-N 2 2 227.352 0.522 20 0 BCADLP C[C@@H]([NH3+])CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653136387 409855931 /nfs/dbraw/zinc/85/59/31/409855931.db2.gz OARDMGGIHANJHB-SECBINFHSA-N 2 2 236.319 0.225 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(F)cn1 ZINC000653107460 409805976 /nfs/dbraw/zinc/80/59/76/409805976.db2.gz KCCYCJJLBLUHIM-VIFPVBQESA-N 2 2 240.282 0.438 20 0 BCADLP CCN(CC(F)F)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653151813 409877854 /nfs/dbraw/zinc/87/78/54/409877854.db2.gz ULQUBFALRRZOFL-MRVPVSSYSA-N 2 2 237.294 0.379 20 0 BCADLP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H](C)C1 ZINC000662848748 409952425 /nfs/dbraw/zinc/95/24/25/409952425.db2.gz GVBAFTVZQYOEHW-UTUOFQBUSA-N 2 2 241.379 0.912 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000662901182 409977205 /nfs/dbraw/zinc/97/72/05/409977205.db2.gz XAHPANDOUKPYFI-DBIOUOCHSA-N 2 2 248.330 0.831 20 0 BCADLP C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)c1[nH+]ccn1C ZINC000662934031 409981481 /nfs/dbraw/zinc/98/14/81/409981481.db2.gz LPTQZYAQGIGYKF-IUCAKERBSA-N 2 2 222.292 0.349 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000662839124 409949840 /nfs/dbraw/zinc/94/98/40/409949840.db2.gz NHPJQLMRKCFWTQ-GFCCVEGCSA-N 2 2 236.319 0.758 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000662839124 409949850 /nfs/dbraw/zinc/94/98/50/409949850.db2.gz NHPJQLMRKCFWTQ-GFCCVEGCSA-N 2 2 236.319 0.758 20 0 BCADLP Cc1c[nH+]c(C)nc1NC[C@@](C)(O)C[NH+](C)C ZINC000558533273 410015337 /nfs/dbraw/zinc/01/53/37/410015337.db2.gz AJKBORUPMCRWAD-GFCCVEGCSA-N 2 2 238.335 0.818 20 0 BCADLP C[NH2+]C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000662969865 409998828 /nfs/dbraw/zinc/99/88/28/409998828.db2.gz RFTRGBLIINQCKZ-UWVGGRQHSA-N 2 2 224.308 0.558 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCOCCF ZINC000663340591 410147477 /nfs/dbraw/zinc/14/74/77/410147477.db2.gz QNQXKFOCFBQSFP-ZJUUUORDSA-N 2 2 204.289 0.512 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCOCCF ZINC000663340591 410147484 /nfs/dbraw/zinc/14/74/84/410147484.db2.gz QNQXKFOCFBQSFP-ZJUUUORDSA-N 2 2 204.289 0.512 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CC=CCC1 ZINC000653174577 410150521 /nfs/dbraw/zinc/15/05/21/410150521.db2.gz YKBFSZMYPPARKU-QWRGUYRKSA-N 2 2 225.336 0.490 20 0 BCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[NH2+]CC1 ZINC000655411949 410215088 /nfs/dbraw/zinc/21/50/88/410215088.db2.gz JEHSSYHMQBNNFT-NSHDSACASA-N 2 2 248.330 0.267 20 0 BCADLP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000655411470 410216679 /nfs/dbraw/zinc/21/66/79/410216679.db2.gz CAKFDKMWWOMBNG-WDEREUQCSA-N 2 2 248.330 0.314 20 0 BCADLP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1[nH]cc[nH+]1 ZINC000655401902 410206382 /nfs/dbraw/zinc/20/63/82/410206382.db2.gz WUENUJZWMDCXID-BDAKNGLRSA-N 2 2 222.292 0.681 20 0 BCADLP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1[nH]cc[nH+]1 ZINC000655401902 410206390 /nfs/dbraw/zinc/20/63/90/410206390.db2.gz WUENUJZWMDCXID-BDAKNGLRSA-N 2 2 222.292 0.681 20 0 BCADLP O=C(NCCn1cc[nH+]c1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655442812 410266895 /nfs/dbraw/zinc/26/68/95/410266895.db2.gz ASOIJHKFPIEHHM-YPMHNXCESA-N 2 2 248.330 0.389 20 0 BCADLP c1cc(C[NH2+]CC23CC(C2)C[NH2+]3)ccn1 ZINC000663501988 410278447 /nfs/dbraw/zinc/27/84/47/410278447.db2.gz MXRASMJKJHBQBN-UHFFFAOYSA-N 2 2 203.289 0.923 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CC(=O)N(C)C ZINC000663513175 410282960 /nfs/dbraw/zinc/28/29/60/410282960.db2.gz IYGHGNJYUAOSLT-RKDXNWHRSA-N 2 2 201.314 0.051 20 0 BCADLP CC[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655416364 410220712 /nfs/dbraw/zinc/22/07/12/410220712.db2.gz QTMBUDDKTPAIIM-SNVBAGLBSA-N 2 2 236.319 0.171 20 0 BCADLP Nc1ccc(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)c[nH+]1 ZINC000655416402 410223549 /nfs/dbraw/zinc/22/35/49/410223549.db2.gz SBAKSLDDUNMSQW-GXFFZTMASA-N 2 2 246.314 0.992 20 0 BCADLP OCCO[C@H]1CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634992445 410331528 /nfs/dbraw/zinc/33/15/28/410331528.db2.gz PAOJHFIDPSVKGJ-CPCZMJQVSA-N 2 2 240.347 0.212 20 0 BCADLP OCCO[C@H]1CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634992445 410331532 /nfs/dbraw/zinc/33/15/32/410331532.db2.gz PAOJHFIDPSVKGJ-CPCZMJQVSA-N 2 2 240.347 0.212 20 0 BCADLP CCO[C@@H]1C[N@H+](Cc2n[nH]cc2C)C[C@H]1C[NH3+] ZINC000650714242 410348121 /nfs/dbraw/zinc/34/81/21/410348121.db2.gz WWFKPMCJITYPIL-ZYHUDNBSSA-N 2 2 238.335 0.514 20 0 BCADLP CCO[C@@H]1C[N@@H+](Cc2n[nH]cc2C)C[C@H]1C[NH3+] ZINC000650714242 410348128 /nfs/dbraw/zinc/34/81/28/410348128.db2.gz WWFKPMCJITYPIL-ZYHUDNBSSA-N 2 2 238.335 0.514 20 0 BCADLP CCO[C@@H]1C[N@H+](Cc2[nH]ncc2C)C[C@H]1C[NH3+] ZINC000650714242 410348133 /nfs/dbraw/zinc/34/81/33/410348133.db2.gz WWFKPMCJITYPIL-ZYHUDNBSSA-N 2 2 238.335 0.514 20 0 BCADLP CCO[C@@H]1C[N@@H+](Cc2[nH]ncc2C)C[C@H]1C[NH3+] ZINC000650714242 410348137 /nfs/dbraw/zinc/34/81/37/410348137.db2.gz WWFKPMCJITYPIL-ZYHUDNBSSA-N 2 2 238.335 0.514 20 0 BCADLP [NH3+]C1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCC1 ZINC000655452201 410293190 /nfs/dbraw/zinc/29/31/90/410293190.db2.gz FLCHFZITXFATDA-SNVBAGLBSA-N 2 2 248.330 0.443 20 0 BCADLP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CC[NH2+]C1 ZINC000650720680 410359761 /nfs/dbraw/zinc/35/97/61/410359761.db2.gz YINMDSVNHZIONX-ZDUSSCGKSA-N 3 2 219.332 0.858 20 0 BCADLP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000650724394 410360231 /nfs/dbraw/zinc/36/02/31/410360231.db2.gz FIDCWHMLEVTMEH-ZYHUDNBSSA-N 2 2 247.342 0.714 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000650743449 410378487 /nfs/dbraw/zinc/37/84/87/410378487.db2.gz TWXRBXBYNGJGBM-MLGHIDQZSA-N 2 2 240.347 0.663 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650745298 410382481 /nfs/dbraw/zinc/38/24/81/410382481.db2.gz DAJBEQIIALVSEO-WDEREUQCSA-N 3 2 211.353 0.655 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650745298 410382489 /nfs/dbraw/zinc/38/24/89/410382489.db2.gz DAJBEQIIALVSEO-WDEREUQCSA-N 3 2 211.353 0.655 20 0 BCADLP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)C1C[NH2+]C1 ZINC000650755804 410399889 /nfs/dbraw/zinc/39/98/89/410399889.db2.gz NHQJFKSYRJTRMX-VIFPVBQESA-N 3 2 237.322 0.982 20 0 BCADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cn(C)nn1 ZINC000650760281 410407692 /nfs/dbraw/zinc/40/76/92/410407692.db2.gz ZQGRSNQXLORCQX-MWLCHTKSSA-N 2 2 223.324 0.293 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650764300 410414052 /nfs/dbraw/zinc/41/40/52/410414052.db2.gz VLDVBSSKJDTIRM-WCQYABFASA-N 3 2 225.380 0.916 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650764300 410414056 /nfs/dbraw/zinc/41/40/56/410414056.db2.gz VLDVBSSKJDTIRM-WCQYABFASA-N 3 2 225.380 0.916 20 0 BCADLP CCN1C[C@H](C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1=O ZINC000652001537 410565362 /nfs/dbraw/zinc/56/53/62/410565362.db2.gz WVELYBGEXUSBFZ-WOPDTQHZSA-N 2 2 239.363 0.395 20 0 BCADLP CCN1C[C@H](C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1=O ZINC000652001537 410565368 /nfs/dbraw/zinc/56/53/68/410565368.db2.gz WVELYBGEXUSBFZ-WOPDTQHZSA-N 2 2 239.363 0.395 20 0 BCADLP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655466731 410667353 /nfs/dbraw/zinc/66/73/53/410667353.db2.gz UCNMHBFADNRJDE-GUBZILKMSA-N 2 2 236.319 0.297 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](O)C1 ZINC000309277974 410700661 /nfs/dbraw/zinc/70/06/61/410700661.db2.gz SLULPYZMQDURQF-VXGBXAGGSA-N 2 2 230.352 0.144 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](O)C1 ZINC000309277974 410700663 /nfs/dbraw/zinc/70/06/63/410700663.db2.gz SLULPYZMQDURQF-VXGBXAGGSA-N 2 2 230.352 0.144 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000309277974 410700666 /nfs/dbraw/zinc/70/06/66/410700666.db2.gz SLULPYZMQDURQF-VXGBXAGGSA-N 2 2 230.352 0.144 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](O)C1 ZINC000309277974 410700668 /nfs/dbraw/zinc/70/06/68/410700668.db2.gz SLULPYZMQDURQF-VXGBXAGGSA-N 2 2 230.352 0.144 20 0 BCADLP Cc1cncc(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000665273998 410744253 /nfs/dbraw/zinc/74/42/53/410744253.db2.gz HGWXERUNWUKABW-GWCFXTLKSA-N 2 2 234.347 0.915 20 0 BCADLP C[C@H](CC(=O)NCCC[NH+](C)C)n1cc[nH+]c1 ZINC000650988880 410679376 /nfs/dbraw/zinc/67/93/76/410679376.db2.gz SKCYPPLNFSTORQ-LLVKDONJSA-N 2 2 238.335 0.902 20 0 BCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000665059359 410684435 /nfs/dbraw/zinc/68/44/35/410684435.db2.gz YXFGGMITVDSTDP-GHMZBOCLSA-N 2 2 248.330 0.298 20 0 BCADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(C)(C)O ZINC000393956913 410771036 /nfs/dbraw/zinc/77/10/36/410771036.db2.gz HLJQOIDYMGXKKT-VIFPVBQESA-N 2 2 240.351 0.735 20 0 BCADLP CC(C)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1=O ZINC000336563316 167025515 /nfs/dbraw/zinc/02/55/15/167025515.db2.gz KEEZJRMWNXAUCG-NSHDSACASA-N 2 2 225.336 0.419 20 0 BCADLP CC(C)NC(=O)CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336655683 167044004 /nfs/dbraw/zinc/04/40/04/167044004.db2.gz HQCBFLBCMNHTHZ-QWRGUYRKSA-N 2 2 227.352 0.441 20 0 BCADLP CC(C)NC(=O)CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336655683 167044007 /nfs/dbraw/zinc/04/40/07/167044007.db2.gz HQCBFLBCMNHTHZ-QWRGUYRKSA-N 2 2 227.352 0.441 20 0 BCADLP CC(C)NC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000124293184 167049523 /nfs/dbraw/zinc/04/95/23/167049523.db2.gz MMJCVVBZHWTENT-UHFFFAOYSA-N 2 2 238.335 0.730 20 0 BCADLP CC(C)[NH2+]CC[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000309075233 167103675 /nfs/dbraw/zinc/10/36/75/167103675.db2.gz JKGGGHUABWKJCB-JTQLQIEISA-N 2 2 213.325 0.182 20 0 BCADLP CC(C)[NH2+]CC[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000309075233 167103679 /nfs/dbraw/zinc/10/36/79/167103679.db2.gz JKGGGHUABWKJCB-JTQLQIEISA-N 2 2 213.325 0.182 20 0 BCADLP C[NH2+][C@H](C)CNc1nc[nH+]c2c1OCCN2 ZINC000634810356 410966565 /nfs/dbraw/zinc/96/65/65/410966565.db2.gz USXPIFPMKAKXGC-SSDOTTSWSA-N 2 2 223.280 0.301 20 0 BCADLP O=C1CC[C@@H]2C[N@H+](CCn3cc[nH+]c3)CC[C@@H]2N1 ZINC000661596154 410984159 /nfs/dbraw/zinc/98/41/59/410984159.db2.gz ARJKBNSZAABOLM-NEPJUHHUSA-N 2 2 248.330 0.484 20 0 BCADLP O=C1CC[C@@H]2C[N@@H+](CCn3cc[nH+]c3)CC[C@@H]2N1 ZINC000661596154 410984169 /nfs/dbraw/zinc/98/41/69/410984169.db2.gz ARJKBNSZAABOLM-NEPJUHHUSA-N 2 2 248.330 0.484 20 0 BCADLP [NH3+][C@@H](C(=O)NCCn1cc[nH+]c1)C1CCC1 ZINC000399021386 411009252 /nfs/dbraw/zinc/00/92/52/411009252.db2.gz IBTFYFMUZNILHP-SNVBAGLBSA-N 2 2 222.292 0.127 20 0 BCADLP C[NH+](C)CCCNC(=O)NCCn1cc[nH+]c1 ZINC000042923879 411060747 /nfs/dbraw/zinc/06/07/47/411060747.db2.gz SIJVZPDOQULJSD-UHFFFAOYSA-N 2 2 239.323 0.134 20 0 BCADLP CC[NH+]1CCC([N@H+](C)CCc2c[nH]nn2)CC1 ZINC000659983986 411156193 /nfs/dbraw/zinc/15/61/93/411156193.db2.gz ZVUDLZAPZIMZIK-UHFFFAOYSA-N 2 2 237.351 0.763 20 0 BCADLP CC[NH+]1CCC([N@@H+](C)CCc2c[nH]nn2)CC1 ZINC000659983986 411156195 /nfs/dbraw/zinc/15/61/95/411156195.db2.gz ZVUDLZAPZIMZIK-UHFFFAOYSA-N 2 2 237.351 0.763 20 0 BCADLP CC[NH+]1CCC([N@H+](C)CCc2cn[nH]n2)CC1 ZINC000659983986 411156197 /nfs/dbraw/zinc/15/61/97/411156197.db2.gz ZVUDLZAPZIMZIK-UHFFFAOYSA-N 2 2 237.351 0.763 20 0 BCADLP CC[NH+]1CCC([N@@H+](C)CCc2cn[nH]n2)CC1 ZINC000659983986 411156201 /nfs/dbraw/zinc/15/62/01/411156201.db2.gz ZVUDLZAPZIMZIK-UHFFFAOYSA-N 2 2 237.351 0.763 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC[C@]1(O)CCCOC1 ZINC000652041311 411089298 /nfs/dbraw/zinc/08/92/98/411089298.db2.gz YOHODWPJLMUMHR-JHJVBQTASA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC[C@]1(O)CCCOC1 ZINC000652041311 411089303 /nfs/dbraw/zinc/08/93/03/411089303.db2.gz YOHODWPJLMUMHR-JHJVBQTASA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC[C@]1(O)CCCOC1 ZINC000652041310 411089494 /nfs/dbraw/zinc/08/94/94/411089494.db2.gz YOHODWPJLMUMHR-FRRDWIJNSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC[C@]1(O)CCCOC1 ZINC000652041310 411089500 /nfs/dbraw/zinc/08/95/00/411089500.db2.gz YOHODWPJLMUMHR-FRRDWIJNSA-N 2 2 242.363 0.458 20 0 BCADLP Cc1noc([C@@H](C)[N@@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000309386644 411121212 /nfs/dbraw/zinc/12/12/12/411121212.db2.gz FEMQAMGWSGSZNU-APPZFPTMSA-N 2 2 210.281 0.720 20 0 BCADLP Cc1noc([C@@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000309386644 411121215 /nfs/dbraw/zinc/12/12/15/411121215.db2.gz FEMQAMGWSGSZNU-APPZFPTMSA-N 2 2 210.281 0.720 20 0 BCADLP c1cn(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c[nH+]1 ZINC000401117412 411176382 /nfs/dbraw/zinc/17/63/82/411176382.db2.gz IQXUACAQLSGQLO-FRRDWIJNSA-N 3 2 234.347 0.861 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)C1 ZINC000656192625 411198265 /nfs/dbraw/zinc/19/82/65/411198265.db2.gz MEUQVAPXLNXWGU-IJLUTSLNSA-N 3 2 211.353 0.988 20 0 BCADLP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000656193421 411198559 /nfs/dbraw/zinc/19/85/59/411198559.db2.gz LDEGLGBKSOOHSZ-ZYHUDNBSSA-N 2 2 205.305 0.964 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000658020354 411199470 /nfs/dbraw/zinc/19/94/70/411199470.db2.gz UZXZVUPYWGNVID-VHSXEESVSA-N 2 2 246.318 0.537 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000658020354 411199478 /nfs/dbraw/zinc/19/94/78/411199478.db2.gz UZXZVUPYWGNVID-VHSXEESVSA-N 2 2 246.318 0.537 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000658020352 411199766 /nfs/dbraw/zinc/19/97/66/411199766.db2.gz UZXZVUPYWGNVID-NXEZZACHSA-N 2 2 246.318 0.537 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000658020352 411199768 /nfs/dbraw/zinc/19/97/68/411199768.db2.gz UZXZVUPYWGNVID-NXEZZACHSA-N 2 2 246.318 0.537 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424190611 411245244 /nfs/dbraw/zinc/24/52/44/411245244.db2.gz PVQWLSYQRUPWNQ-IJLUTSLNSA-N 2 2 239.363 0.395 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424190611 411245249 /nfs/dbraw/zinc/24/52/49/411245249.db2.gz PVQWLSYQRUPWNQ-IJLUTSLNSA-N 2 2 239.363 0.395 20 0 BCADLP C[N@H+](Cc1cnc(N)s1)C1CC([NH3+])C1 ZINC000579719075 411245317 /nfs/dbraw/zinc/24/53/17/411245317.db2.gz SXKSMDNBTDVVDV-UHFFFAOYSA-N 2 2 212.322 0.647 20 0 BCADLP C[N@@H+](Cc1cnc(N)s1)C1CC([NH3+])C1 ZINC000579719075 411245322 /nfs/dbraw/zinc/24/53/22/411245322.db2.gz SXKSMDNBTDVVDV-UHFFFAOYSA-N 2 2 212.322 0.647 20 0 BCADLP c1cc2c(cc1C[NH2+][C@H]1CC[NH2+]C1)C[NH2+]CC2 ZINC000652339968 411205903 /nfs/dbraw/zinc/20/59/03/411205903.db2.gz VHFQGPUGCZOKDY-AWEZNQCLSA-N 3 2 231.343 0.784 20 0 BCADLP Cc1noc(C[N@H+](C)CCn2cc[nH+]c2)n1 ZINC000653888737 411209777 /nfs/dbraw/zinc/20/97/77/411209777.db2.gz FNPCKPVWHBDUSK-UHFFFAOYSA-N 2 2 221.264 0.707 20 0 BCADLP Cc1noc(C[N@@H+](C)CCn2cc[nH+]c2)n1 ZINC000653888737 411209781 /nfs/dbraw/zinc/20/97/81/411209781.db2.gz FNPCKPVWHBDUSK-UHFFFAOYSA-N 2 2 221.264 0.707 20 0 BCADLP CC[C@@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655683223 411223733 /nfs/dbraw/zinc/22/37/33/411223733.db2.gz AHLZWUUERGIVSG-WCQYABFASA-N 2 2 242.363 0.600 20 0 BCADLP CC(C)[C@@H](C)NC(=O)C[N@H+](C)CCC[NH3+] ZINC000049307553 411231178 /nfs/dbraw/zinc/23/11/78/411231178.db2.gz NJLDCSGSHQEFMT-SNVBAGLBSA-N 2 2 215.341 0.428 20 0 BCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000049307553 411231181 /nfs/dbraw/zinc/23/11/81/411231181.db2.gz NJLDCSGSHQEFMT-SNVBAGLBSA-N 2 2 215.341 0.428 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1CCCO1 ZINC000310330324 411233351 /nfs/dbraw/zinc/23/33/51/411233351.db2.gz BLCQDZGVJPXYIR-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1CCCO1 ZINC000310330324 411233355 /nfs/dbraw/zinc/23/33/55/411233355.db2.gz BLCQDZGVJPXYIR-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H]1CCCO1 ZINC000310330324 411233360 /nfs/dbraw/zinc/23/33/60/411233360.db2.gz BLCQDZGVJPXYIR-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H]1CCCO1 ZINC000310330324 411233363 /nfs/dbraw/zinc/23/33/63/411233363.db2.gz BLCQDZGVJPXYIR-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP Cn1cnnc1[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000310408671 411236564 /nfs/dbraw/zinc/23/65/64/411236564.db2.gz MASYZILWJLTUIW-MNOVXSKESA-N 2 2 235.335 0.562 20 0 BCADLP Cn1cnnc1[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000310408671 411236566 /nfs/dbraw/zinc/23/65/66/411236566.db2.gz MASYZILWJLTUIW-MNOVXSKESA-N 2 2 235.335 0.562 20 0 BCADLP CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423173265 411236648 /nfs/dbraw/zinc/23/66/48/411236648.db2.gz XTBHJPYIXZODMC-LPWJVIDDSA-N 2 2 242.363 0.911 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(CO)CC1 ZINC000310441662 411238393 /nfs/dbraw/zinc/23/83/93/411238393.db2.gz VXOPJMRGDDUIDQ-CYBMUJFWSA-N 2 2 244.379 0.392 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CO)CC1 ZINC000310441662 411238395 /nfs/dbraw/zinc/23/83/95/411238395.db2.gz VXOPJMRGDDUIDQ-CYBMUJFWSA-N 2 2 244.379 0.392 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CC1CCC1 ZINC000310501336 411239581 /nfs/dbraw/zinc/23/95/81/411239581.db2.gz HZLBDNOQQOGAPO-ZDUSSCGKSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CC1CCC1 ZINC000310501336 411239584 /nfs/dbraw/zinc/23/95/84/411239584.db2.gz HZLBDNOQQOGAPO-ZDUSSCGKSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CC1CCC1 ZINC000310501336 411239588 /nfs/dbraw/zinc/23/95/88/411239588.db2.gz HZLBDNOQQOGAPO-ZDUSSCGKSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CC1CCC1 ZINC000310501336 411239590 /nfs/dbraw/zinc/23/95/90/411239590.db2.gz HZLBDNOQQOGAPO-ZDUSSCGKSA-N 2 2 244.379 0.657 20 0 BCADLP C[NH+](C)C[C@H](O)CN[C@@H]1CCCn2cc[nH+]c21 ZINC000655712987 411267285 /nfs/dbraw/zinc/26/72/85/411267285.db2.gz SXQDJFFNIYDXHP-GHMZBOCLSA-N 2 2 238.335 0.230 20 0 BCADLP C[C@H]([NH3+])CCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070645736 411271806 /nfs/dbraw/zinc/27/18/06/411271806.db2.gz SMJKTUOHCIDCGH-QMMMGPOBSA-N 2 2 210.281 0.496 20 0 BCADLP c1cn(Cc2cn([C@@H]3CCC[NH2+]C3)nn2)c[nH+]1 ZINC000656467611 411279200 /nfs/dbraw/zinc/27/92/00/411279200.db2.gz PNOFPWHAIIOQGM-LLVKDONJSA-N 2 2 232.291 0.447 20 0 BCADLP Cc1nc(N2CC[NH+](C3CCC3)CC2)nc(N)[nH+]1 ZINC000394069238 411282903 /nfs/dbraw/zinc/28/29/03/411282903.db2.gz PTUDSOFVXXFBAK-UHFFFAOYSA-N 2 2 248.334 0.437 20 0 BCADLP Nc1ncc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000570279912 411283941 /nfs/dbraw/zinc/28/39/41/411283941.db2.gz QULXSEPHRFYVNB-IUCAKERBSA-N 2 2 238.360 0.767 20 0 BCADLP Nc1ncc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000570279912 411283946 /nfs/dbraw/zinc/28/39/46/411283946.db2.gz QULXSEPHRFYVNB-IUCAKERBSA-N 2 2 238.360 0.767 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](CCO)C1CC1 ZINC000381042276 411284673 /nfs/dbraw/zinc/28/46/73/411284673.db2.gz GHSLJQDCDHKMPA-LBPRGKRZSA-N 2 2 230.352 0.144 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](CCO)C1CC1 ZINC000381042276 411284675 /nfs/dbraw/zinc/28/46/75/411284675.db2.gz GHSLJQDCDHKMPA-LBPRGKRZSA-N 2 2 230.352 0.144 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](CCO)C1CC1 ZINC000381042276 411284678 /nfs/dbraw/zinc/28/46/78/411284678.db2.gz GHSLJQDCDHKMPA-LBPRGKRZSA-N 2 2 230.352 0.144 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](CCO)C1CC1 ZINC000381042276 411284680 /nfs/dbraw/zinc/28/46/80/411284680.db2.gz GHSLJQDCDHKMPA-LBPRGKRZSA-N 2 2 230.352 0.144 20 0 BCADLP CC[N@@H+](CC(=O)N(C)C)C[C@@H]1CC[NH2+]C1 ZINC000051889688 411285404 /nfs/dbraw/zinc/28/54/04/411285404.db2.gz YNXLCDQZCGDEOG-SNVBAGLBSA-N 2 2 213.325 0.006 20 0 BCADLP CC[N@H+](CC(=O)N(C)C)C[C@@H]1CC[NH2+]C1 ZINC000051889688 411285407 /nfs/dbraw/zinc/28/54/07/411285407.db2.gz YNXLCDQZCGDEOG-SNVBAGLBSA-N 2 2 213.325 0.006 20 0 BCADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000401691751 411286261 /nfs/dbraw/zinc/28/62/61/411286261.db2.gz HEDYZDHJWIIXIJ-QWRGUYRKSA-N 3 2 208.309 0.471 20 0 BCADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCn2ccnc2)C1 ZINC000401691751 411286263 /nfs/dbraw/zinc/28/62/63/411286263.db2.gz HEDYZDHJWIIXIJ-QWRGUYRKSA-N 2 2 208.309 0.471 20 0 BCADLP [NH3+]CC12CC(C1)CN2c1cc(NC2CC2)[nH+]cn1 ZINC000656610799 411308840 /nfs/dbraw/zinc/30/88/40/411308840.db2.gz JTMPYMYCCCSJOT-UHFFFAOYSA-N 2 2 245.330 0.978 20 0 BCADLP CC[NH+](CC)CCn1cc(Cn2cc[nH+]c2)nn1 ZINC000656438978 411256667 /nfs/dbraw/zinc/25/66/67/411256667.db2.gz HSUVCQARUIPUJM-UHFFFAOYSA-N 2 2 248.334 0.865 20 0 BCADLP C[NH2+]C[C@@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000659005766 411366345 /nfs/dbraw/zinc/36/63/45/411366345.db2.gz TZCWLCPJKTVBKO-SECBINFHSA-N 2 2 222.292 0.541 20 0 BCADLP Cn1nncc1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788143 411367726 /nfs/dbraw/zinc/36/77/26/411367726.db2.gz DOBUXEQVFMOGIU-UHFFFAOYSA-N 2 2 209.297 0.176 20 0 BCADLP COCCC1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000656704024 411339935 /nfs/dbraw/zinc/33/99/35/411339935.db2.gz ZJUDEBYPDHPFMY-ZDUSSCGKSA-N 2 2 242.363 0.410 20 0 BCADLP COCCC1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000656704024 411339939 /nfs/dbraw/zinc/33/99/39/411339939.db2.gz ZJUDEBYPDHPFMY-ZDUSSCGKSA-N 2 2 242.363 0.410 20 0 BCADLP COC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000656703286 411340085 /nfs/dbraw/zinc/34/00/85/411340085.db2.gz XKEISRGPQHBKAJ-GHMZBOCLSA-N 2 2 230.352 0.456 20 0 BCADLP COC[C@H](O)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000656703286 411340090 /nfs/dbraw/zinc/34/00/90/411340090.db2.gz XKEISRGPQHBKAJ-GHMZBOCLSA-N 2 2 230.352 0.456 20 0 BCADLP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227073288 168290310 /nfs/dbraw/zinc/29/03/10/168290310.db2.gz JNSQDKVYWPPWCP-WDEREUQCSA-N 2 2 241.379 0.960 20 0 BCADLP CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227073288 168290311 /nfs/dbraw/zinc/29/03/11/168290311.db2.gz JNSQDKVYWPPWCP-WDEREUQCSA-N 2 2 241.379 0.960 20 0 BCADLP CCC(C)(C)NC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000049282011 168290673 /nfs/dbraw/zinc/29/06/73/168290673.db2.gz LXPJBGSOBISSDC-LLVKDONJSA-N 2 2 241.379 0.962 20 0 BCADLP CCC(C)(C)NC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000049282011 168290675 /nfs/dbraw/zinc/29/06/75/168290675.db2.gz LXPJBGSOBISSDC-LLVKDONJSA-N 2 2 241.379 0.962 20 0 BCADLP Cc1nc(N(C)[C@H](C[NH3+])C2CC2)cc[nH+]1 ZINC000126843566 411460468 /nfs/dbraw/zinc/46/04/68/411460468.db2.gz CNNNUHQRQBKXBH-SNVBAGLBSA-N 2 2 206.293 0.959 20 0 BCADLP Cc1nc(N(C)[C@@H](C[NH3+])C2CC2)cc[nH+]1 ZINC000126843330 411460524 /nfs/dbraw/zinc/46/05/24/411460524.db2.gz CNNNUHQRQBKXBH-JTQLQIEISA-N 2 2 206.293 0.959 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000309450093 411396770 /nfs/dbraw/zinc/39/67/70/411396770.db2.gz MIMPBAJZKOJTRJ-VHSXEESVSA-N 2 2 208.309 0.936 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000309450093 411396774 /nfs/dbraw/zinc/39/67/74/411396774.db2.gz MIMPBAJZKOJTRJ-VHSXEESVSA-N 2 2 208.309 0.936 20 0 BCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](C)[NH+](C)C ZINC000654479815 411403603 /nfs/dbraw/zinc/40/36/03/411403603.db2.gz HRAZZVQDHQCAEC-NXEZZACHSA-N 2 2 238.335 0.655 20 0 BCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](C)[NH+](C)C ZINC000654479815 411403605 /nfs/dbraw/zinc/40/36/05/411403605.db2.gz HRAZZVQDHQCAEC-NXEZZACHSA-N 2 2 238.335 0.655 20 0 BCADLP Nc1ccc(NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)c[nH+]1 ZINC000653048689 411404145 /nfs/dbraw/zinc/40/41/45/411404145.db2.gz SNRSROZKXAVKHY-GHMZBOCLSA-N 2 2 246.314 0.963 20 0 BCADLP C[C@@H](CC(=O)N1CC[NH2+][C@H](C)C1)n1cc[nH+]c1 ZINC000653050782 411404957 /nfs/dbraw/zinc/40/49/57/411404957.db2.gz VIOOVAZRJBNAQR-MNOVXSKESA-N 2 2 236.319 0.655 20 0 BCADLP Cc1ccccc1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653060511 411409168 /nfs/dbraw/zinc/40/91/68/411409168.db2.gz GLNVKLYUHQQGIB-ZDUSSCGKSA-N 2 2 249.358 0.890 20 0 BCADLP CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000653068652 411411265 /nfs/dbraw/zinc/41/12/65/411411265.db2.gz LOEIUGMHBRKEFH-JTQLQIEISA-N 2 2 213.325 0.276 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1CCCC1 ZINC000653068578 411411367 /nfs/dbraw/zinc/41/13/67/411411367.db2.gz JHAYRIAWFLWRJX-LLVKDONJSA-N 2 2 227.352 0.572 20 0 BCADLP CCCN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653065386 411411372 /nfs/dbraw/zinc/41/13/72/411411372.db2.gz ATDNZQQSFYXMOT-VIFPVBQESA-N 2 2 201.314 0.134 20 0 BCADLP CCN(CC(C)C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653073231 411413047 /nfs/dbraw/zinc/41/30/47/411413047.db2.gz WHAYVIFQJYLJLV-NSHDSACASA-N 2 2 229.368 0.770 20 0 BCADLP C[NH2+]C[C@@H](C)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000659437936 411414534 /nfs/dbraw/zinc/41/45/34/411414534.db2.gz SPALQZPPLPVZKR-ZJUUUORDSA-N 2 2 239.323 0.179 20 0 BCADLP CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647885739 411414928 /nfs/dbraw/zinc/41/49/28/411414928.db2.gz KXUDMUKUCOTVGM-QWRGUYRKSA-N 2 2 248.392 0.351 20 0 BCADLP CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647885739 411414929 /nfs/dbraw/zinc/41/49/29/411414929.db2.gz KXUDMUKUCOTVGM-QWRGUYRKSA-N 2 2 248.392 0.351 20 0 BCADLP CCn1cc[nH+]c1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000659500415 411422251 /nfs/dbraw/zinc/42/22/51/411422251.db2.gz VGDYHIHZCMOSJU-VIFPVBQESA-N 2 2 237.307 0.064 20 0 BCADLP C[C@H](C[NH3+])CNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000659525730 411427886 /nfs/dbraw/zinc/42/78/86/411427886.db2.gz HBEHEFQPYIYTET-RKDXNWHRSA-N 2 2 239.323 0.375 20 0 BCADLP C[N@@H+]1CCN(C(=O)C[C@H]2C=CCC2)[C@H](C[NH3+])C1 ZINC000122573954 411433048 /nfs/dbraw/zinc/43/30/48/411433048.db2.gz IVNZLBRMUIKNDD-NWDGAFQWSA-N 2 2 237.347 0.444 20 0 BCADLP C[N@H+]1CCN(C(=O)C[C@H]2C=CCC2)[C@H](C[NH3+])C1 ZINC000122573954 411433053 /nfs/dbraw/zinc/43/30/53/411433053.db2.gz IVNZLBRMUIKNDD-NWDGAFQWSA-N 2 2 237.347 0.444 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000659551540 411434396 /nfs/dbraw/zinc/43/43/96/411434396.db2.gz VEFYIUKGAHYZTN-HTQZYQBOSA-N 2 2 225.296 0.287 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000659551540 411434399 /nfs/dbraw/zinc/43/43/99/411434399.db2.gz VEFYIUKGAHYZTN-HTQZYQBOSA-N 2 2 225.296 0.287 20 0 BCADLP CNC(=O)CCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657333562 411463456 /nfs/dbraw/zinc/46/34/56/411463456.db2.gz OKWZXCDQALXJLK-UHFFFAOYSA-N 2 2 236.319 0.445 20 0 BCADLP CCO[C@@H]1CN(Cc2[nH+]ccn2C)C[C@H]1C[NH3+] ZINC000405715831 411439699 /nfs/dbraw/zinc/43/96/99/411439699.db2.gz SJSXCJQQLRNCPR-GHMZBOCLSA-N 2 2 238.335 0.216 20 0 BCADLP CN1C[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)CC1=O ZINC000657342486 411469365 /nfs/dbraw/zinc/46/93/65/411469365.db2.gz ZROYPJJFXRRMJQ-SECBINFHSA-N 2 2 234.303 0.150 20 0 BCADLP CCN1CC[C@H]([NH+]2CCC([NH+](C)C)CC2)C1=O ZINC000659839184 411470508 /nfs/dbraw/zinc/47/05/08/411470508.db2.gz SOLBLGHLUGHXPZ-LBPRGKRZSA-N 2 2 239.363 0.633 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407284709 411476685 /nfs/dbraw/zinc/47/66/85/411476685.db2.gz FVSIKOIMYVGFAQ-ZJUUUORDSA-N 2 2 234.303 0.557 20 0 BCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000407262489 411477201 /nfs/dbraw/zinc/47/72/01/411477201.db2.gz LCCPPZMQZVXVHZ-NEPJUHHUSA-N 2 2 237.347 0.291 20 0 BCADLP CCN1CC[C@H]([N@@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000659925622 411500078 /nfs/dbraw/zinc/50/00/78/411500078.db2.gz KCHNWUYZLBKGIL-NEPJUHHUSA-N 2 2 239.363 0.491 20 0 BCADLP CCN1CC[C@H]([N@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000659925622 411500081 /nfs/dbraw/zinc/50/00/81/411500081.db2.gz KCHNWUYZLBKGIL-NEPJUHHUSA-N 2 2 239.363 0.491 20 0 BCADLP CC[C@@H]1C[C@H]([NH2+]CC[N@H+](CC)CCO)CO1 ZINC000657438410 411510211 /nfs/dbraw/zinc/51/02/11/411510211.db2.gz QHLZIZAEVUZOGL-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP CC[C@@H]1C[C@H]([NH2+]CC[N@@H+](CC)CCO)CO1 ZINC000657438410 411510214 /nfs/dbraw/zinc/51/02/14/411510214.db2.gz QHLZIZAEVUZOGL-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP C[C@H]1C[C@H]([NH+](C)CCc2c[nH]nn2)CC[N@@H+]1C ZINC000659984666 411519801 /nfs/dbraw/zinc/51/98/01/411519801.db2.gz QRSYZCGGVHCSIK-CMPLNLGQSA-N 2 2 237.351 0.762 20 0 BCADLP C[C@H]1C[C@H]([NH+](C)CCc2c[nH]nn2)CC[N@H+]1C ZINC000659984666 411519802 /nfs/dbraw/zinc/51/98/02/411519802.db2.gz QRSYZCGGVHCSIK-CMPLNLGQSA-N 2 2 237.351 0.762 20 0 BCADLP C[C@H]1C[C@H]([N@H+](C)CCc2c[nH]nn2)CC[NH+]1C ZINC000659984666 411519805 /nfs/dbraw/zinc/51/98/05/411519805.db2.gz QRSYZCGGVHCSIK-CMPLNLGQSA-N 2 2 237.351 0.762 20 0 BCADLP C[C@H]1C[C@H]([N@@H+](C)CCc2c[nH]nn2)CC[NH+]1C ZINC000659984666 411519806 /nfs/dbraw/zinc/51/98/06/411519806.db2.gz QRSYZCGGVHCSIK-CMPLNLGQSA-N 2 2 237.351 0.762 20 0 BCADLP C[C@H]1C[C@H]([NH+](C)CCc2cn[nH]n2)CC[N@@H+]1C ZINC000659984666 411519809 /nfs/dbraw/zinc/51/98/09/411519809.db2.gz QRSYZCGGVHCSIK-CMPLNLGQSA-N 2 2 237.351 0.762 20 0 BCADLP C[C@H]1C[C@H]([NH+](C)CCc2cn[nH]n2)CC[N@H+]1C ZINC000659984666 411519810 /nfs/dbraw/zinc/51/98/10/411519810.db2.gz QRSYZCGGVHCSIK-CMPLNLGQSA-N 2 2 237.351 0.762 20 0 BCADLP C[C@H]1C[C@H]([N@H+](C)CCc2cn[nH]n2)CC[NH+]1C ZINC000659984666 411519813 /nfs/dbraw/zinc/51/98/13/411519813.db2.gz QRSYZCGGVHCSIK-CMPLNLGQSA-N 2 2 237.351 0.762 20 0 BCADLP C[C@H]1C[C@H]([N@@H+](C)CCc2cn[nH]n2)CC[NH+]1C ZINC000659984666 411519814 /nfs/dbraw/zinc/51/98/14/411519814.db2.gz QRSYZCGGVHCSIK-CMPLNLGQSA-N 2 2 237.351 0.762 20 0 BCADLP CO[C@](C)(CO)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000655808174 411521092 /nfs/dbraw/zinc/52/10/92/411521092.db2.gz SVRDZTCJUNRWJP-ZDUSSCGKSA-N 2 2 249.314 0.821 20 0 BCADLP COCC1(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000655819153 411525572 /nfs/dbraw/zinc/52/55/72/411525572.db2.gz WNXZOLOTBQEHQZ-QWRGUYRKSA-N 2 2 212.337 0.953 20 0 BCADLP COCC1(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000655819153 411525574 /nfs/dbraw/zinc/52/55/74/411525574.db2.gz WNXZOLOTBQEHQZ-QWRGUYRKSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000655829615 411530710 /nfs/dbraw/zinc/53/07/10/411530710.db2.gz NURAJSNHKBDCHS-JFGNBEQYSA-N 2 2 249.362 0.212 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000655829615 411530712 /nfs/dbraw/zinc/53/07/12/411530712.db2.gz NURAJSNHKBDCHS-JFGNBEQYSA-N 2 2 249.362 0.212 20 0 BCADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)C(=O)NC ZINC000657486929 411531236 /nfs/dbraw/zinc/53/12/36/411531236.db2.gz MCSJFHLNPQIXQB-JTQLQIEISA-N 2 2 236.319 0.444 20 0 BCADLP CCN1C[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)CC1=O ZINC000657482326 411531829 /nfs/dbraw/zinc/53/18/29/411531829.db2.gz UTCPTIPCMKTESH-SNVBAGLBSA-N 2 2 248.330 0.540 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(N)=O)C[C@H]1C ZINC000354225653 170010440 /nfs/dbraw/zinc/01/04/40/170010440.db2.gz SMEDKQXWJASUSU-NXEZZACHSA-N 2 2 213.325 0.276 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(N)=O)C[C@H]1C ZINC000354225653 170010442 /nfs/dbraw/zinc/01/04/42/170010442.db2.gz SMEDKQXWJASUSU-NXEZZACHSA-N 2 2 213.325 0.276 20 0 BCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(N)=O)C[C@H]1C ZINC000354225653 170010444 /nfs/dbraw/zinc/01/04/44/170010444.db2.gz SMEDKQXWJASUSU-NXEZZACHSA-N 2 2 213.325 0.276 20 0 BCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(N)=O)C[C@H]1C ZINC000354225653 170010446 /nfs/dbraw/zinc/01/04/46/170010446.db2.gz SMEDKQXWJASUSU-NXEZZACHSA-N 2 2 213.325 0.276 20 0 BCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)O ZINC000194950311 170023365 /nfs/dbraw/zinc/02/33/65/170023365.db2.gz SRYCOTAINGBQTF-UTUOFQBUSA-N 2 2 212.337 0.926 20 0 BCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)O ZINC000194950311 170023367 /nfs/dbraw/zinc/02/33/67/170023367.db2.gz SRYCOTAINGBQTF-UTUOFQBUSA-N 2 2 212.337 0.926 20 0 BCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)O ZINC000194950311 170023369 /nfs/dbraw/zinc/02/33/69/170023369.db2.gz SRYCOTAINGBQTF-UTUOFQBUSA-N 2 2 212.337 0.926 20 0 BCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)O ZINC000194950311 170023370 /nfs/dbraw/zinc/02/33/70/170023370.db2.gz SRYCOTAINGBQTF-UTUOFQBUSA-N 2 2 212.337 0.926 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC(C)(C)OCCO)C1 ZINC000352495006 170031350 /nfs/dbraw/zinc/03/13/50/170031350.db2.gz HVEQGHHHEYMQPS-VXGBXAGGSA-N 2 2 244.379 0.704 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC(C)(C)OCCO)C1 ZINC000352495006 170031351 /nfs/dbraw/zinc/03/13/51/170031351.db2.gz HVEQGHHHEYMQPS-VXGBXAGGSA-N 2 2 244.379 0.704 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC(C)(C)C(N)=O)C1 ZINC000309956135 170031999 /nfs/dbraw/zinc/03/19/99/170031999.db2.gz IKLAPQQHZOZWKM-NXEZZACHSA-N 2 2 227.352 0.428 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC(C)(C)C(N)=O)C1 ZINC000309956135 170032001 /nfs/dbraw/zinc/03/20/01/170032001.db2.gz IKLAPQQHZOZWKM-NXEZZACHSA-N 2 2 227.352 0.428 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]C[C@@]2(O)CCSC2)[C@@H](C)C1 ZINC000309900889 170034667 /nfs/dbraw/zinc/03/46/67/170034667.db2.gz HPAYVWNJNUVBQJ-SRVKXCTJSA-N 2 2 244.404 0.784 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@]2(O)CCSC2)[C@@H](C)C1 ZINC000309900889 170034668 /nfs/dbraw/zinc/03/46/68/170034668.db2.gz HPAYVWNJNUVBQJ-SRVKXCTJSA-N 2 2 244.404 0.784 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H]2CCOC2)[C@@H](C)C1 ZINC000309049904 170034712 /nfs/dbraw/zinc/03/47/12/170034712.db2.gz QKRSPYFJUXUEAU-SRVKXCTJSA-N 2 2 212.337 0.953 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)C1([NH3+])CCCC1 ZINC000070854924 411540282 /nfs/dbraw/zinc/54/02/82/411540282.db2.gz WXJGEGDRQCGTHP-UHFFFAOYSA-N 2 2 222.292 0.308 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]C[C@H](CO)C2CC2)[C@@H](C)C1 ZINC000309980762 170034939 /nfs/dbraw/zinc/03/49/39/170034939.db2.gz WBIIGFDAYHZGTG-UHTWSYAYSA-N 2 2 226.364 0.935 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H](CO)C2CC2)[C@@H](C)C1 ZINC000309980762 170034941 /nfs/dbraw/zinc/03/49/41/170034941.db2.gz WBIIGFDAYHZGTG-UHTWSYAYSA-N 2 2 226.364 0.935 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H](COC)OC)[C@@H](C)C1 ZINC000336671964 170035390 /nfs/dbraw/zinc/03/53/90/170035390.db2.gz ABTVKSRNWSGJSS-SRVKXCTJSA-N 2 2 230.352 0.578 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H](COC)OC)[C@@H](C)C1 ZINC000336671964 170035391 /nfs/dbraw/zinc/03/53/91/170035391.db2.gz ABTVKSRNWSGJSS-SRVKXCTJSA-N 2 2 230.352 0.578 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CCCC(=O)N(C)C)[C@@H](C)C1 ZINC000358220678 170036060 /nfs/dbraw/zinc/03/60/60/170036060.db2.gz KOONHHOHDRFZAN-RYUDHWBXSA-N 2 2 241.379 0.785 20 0 BCADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCNC3=O)n2c1 ZINC000657522691 411540476 /nfs/dbraw/zinc/54/04/76/411540476.db2.gz BFKLYFPPQNENBI-NSHDSACASA-N 2 2 244.298 0.621 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]C[C@]2(O)CCOC2)[C@@H](C)C1 ZINC000336675386 170036665 /nfs/dbraw/zinc/03/66/65/170036665.db2.gz AZYDQSWTEFPSLP-SDDRHHMPSA-N 2 2 228.336 0.068 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@]2(O)CCOC2)[C@@H](C)C1 ZINC000336675386 170036666 /nfs/dbraw/zinc/03/66/66/170036666.db2.gz AZYDQSWTEFPSLP-SDDRHHMPSA-N 2 2 228.336 0.068 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC(C)(C)OCCO)C1 ZINC000352495004 170037158 /nfs/dbraw/zinc/03/71/58/170037158.db2.gz HVEQGHHHEYMQPS-NWDGAFQWSA-N 2 2 244.379 0.704 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC(C)(C)OCCO)C1 ZINC000352495004 170037159 /nfs/dbraw/zinc/03/71/59/170037159.db2.gz HVEQGHHHEYMQPS-NWDGAFQWSA-N 2 2 244.379 0.704 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+][C@@H](CCO)COC)[C@@H](C)C1 ZINC000336776441 170037670 /nfs/dbraw/zinc/03/76/70/170037670.db2.gz FWEFJJPNTMOAMV-SRVKXCTJSA-N 2 2 230.352 0.314 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](CCO)COC)[C@@H](C)C1 ZINC000336776441 170037671 /nfs/dbraw/zinc/03/76/71/170037671.db2.gz FWEFJJPNTMOAMV-SRVKXCTJSA-N 2 2 230.352 0.314 20 0 BCADLP CCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000362179278 170055473 /nfs/dbraw/zinc/05/54/73/170055473.db2.gz FPGOUCAXIMGMLG-NWDGAFQWSA-N 2 2 241.379 0.927 20 0 BCADLP CCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000362179278 170055474 /nfs/dbraw/zinc/05/54/74/170055474.db2.gz FPGOUCAXIMGMLG-NWDGAFQWSA-N 2 2 241.379 0.927 20 0 BCADLP CCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000362179278 170055475 /nfs/dbraw/zinc/05/54/75/170055475.db2.gz FPGOUCAXIMGMLG-NWDGAFQWSA-N 2 2 241.379 0.927 20 0 BCADLP CCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000362179278 170055476 /nfs/dbraw/zinc/05/54/76/170055476.db2.gz FPGOUCAXIMGMLG-NWDGAFQWSA-N 2 2 241.379 0.927 20 0 BCADLP CCNC(=O)C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040601205 170060125 /nfs/dbraw/zinc/06/01/25/170060125.db2.gz WOBJURVVGWCDHI-SNVBAGLBSA-N 2 2 213.325 0.054 20 0 BCADLP CCNC(=O)C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040601205 170060126 /nfs/dbraw/zinc/06/01/26/170060126.db2.gz WOBJURVVGWCDHI-SNVBAGLBSA-N 2 2 213.325 0.054 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000331154297 170060816 /nfs/dbraw/zinc/06/08/16/170060816.db2.gz CYOGMCLTVUUCOV-LBPRGKRZSA-N 2 2 249.314 0.671 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000331154297 170060818 /nfs/dbraw/zinc/06/08/18/170060818.db2.gz CYOGMCLTVUUCOV-LBPRGKRZSA-N 2 2 249.314 0.671 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000035136241 170094620 /nfs/dbraw/zinc/09/46/20/170094620.db2.gz YUWOISRWZBYXFF-JTQLQIEISA-N 2 2 227.352 0.585 20 0 BCADLP CCNC(=O)[C@H]([NH2+]Cc1c[nH+]cn1C)C(C)C ZINC000339321316 170098786 /nfs/dbraw/zinc/09/87/86/170098786.db2.gz LZVHWXGCVZJKIZ-LLVKDONJSA-N 2 2 238.335 0.670 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCN2CCCC2=O)n1C ZINC000657501887 411537606 /nfs/dbraw/zinc/53/76/06/411537606.db2.gz DERCWUIELPBNFJ-UHFFFAOYSA-N 2 2 236.319 0.441 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H](CO)C2CCC2)n1C ZINC000657558405 411550862 /nfs/dbraw/zinc/55/08/62/411550862.db2.gz DTYWWKFNGFHJGU-GFCCVEGCSA-N 2 2 223.320 0.979 20 0 BCADLP CC[NH2+][C@H](C)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000358934754 170157812 /nfs/dbraw/zinc/15/78/12/170157812.db2.gz LBLSRKPJYMGPSD-HTQZYQBOSA-N 2 2 235.278 0.098 20 0 BCADLP COC[C@H](CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)OC ZINC000657555263 411549455 /nfs/dbraw/zinc/54/94/55/411549455.db2.gz UHYQBUHGHBFDGW-GRYCIOLGSA-N 2 2 230.352 0.578 20 0 BCADLP COC[C@H](CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)OC ZINC000657555263 411549456 /nfs/dbraw/zinc/54/94/56/411549456.db2.gz UHYQBUHGHBFDGW-GRYCIOLGSA-N 2 2 230.352 0.578 20 0 BCADLP CN(CC[N@H+](C)C1CC1)Cc1cn(C)c[nH+]1 ZINC000660303611 411566073 /nfs/dbraw/zinc/56/60/73/411566073.db2.gz SZZGIOQWPZCCBI-UHFFFAOYSA-N 2 2 222.336 0.946 20 0 BCADLP CN(CC[N@@H+](C)C1CC1)Cc1cn(C)c[nH+]1 ZINC000660303611 411566074 /nfs/dbraw/zinc/56/60/74/411566074.db2.gz SZZGIOQWPZCCBI-UHFFFAOYSA-N 2 2 222.336 0.946 20 0 BCADLP CCOC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000129146564 170221004 /nfs/dbraw/zinc/22/10/04/170221004.db2.gz DYCJYHJVCSFMCY-NEPJUHHUSA-N 2 2 240.347 0.966 20 0 BCADLP CCOC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000129146564 170221005 /nfs/dbraw/zinc/22/10/05/170221005.db2.gz DYCJYHJVCSFMCY-NEPJUHHUSA-N 2 2 240.347 0.966 20 0 BCADLP CCOC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000129146564 170221006 /nfs/dbraw/zinc/22/10/06/170221006.db2.gz DYCJYHJVCSFMCY-NEPJUHHUSA-N 2 2 240.347 0.966 20 0 BCADLP CCOC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000129146564 170221007 /nfs/dbraw/zinc/22/10/07/170221007.db2.gz DYCJYHJVCSFMCY-NEPJUHHUSA-N 2 2 240.347 0.966 20 0 BCADLP CCOC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000129146301 170221609 /nfs/dbraw/zinc/22/16/09/170221609.db2.gz DYCJYHJVCSFMCY-VXGBXAGGSA-N 2 2 240.347 0.966 20 0 BCADLP CCOC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000129146301 170221610 /nfs/dbraw/zinc/22/16/10/170221610.db2.gz DYCJYHJVCSFMCY-VXGBXAGGSA-N 2 2 240.347 0.966 20 0 BCADLP CCOC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000129146301 170221611 /nfs/dbraw/zinc/22/16/11/170221611.db2.gz DYCJYHJVCSFMCY-VXGBXAGGSA-N 2 2 240.347 0.966 20 0 BCADLP CCOC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000129146301 170221612 /nfs/dbraw/zinc/22/16/12/170221612.db2.gz DYCJYHJVCSFMCY-VXGBXAGGSA-N 2 2 240.347 0.966 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C/C=C/CO)C[N@@H+]1C1CC1 ZINC000657592179 411556544 /nfs/dbraw/zinc/55/65/44/411556544.db2.gz FEMXAJBFBKAPSB-NTYHVHHESA-N 2 2 210.321 0.750 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C/C=C/CO)C[N@H+]1C1CC1 ZINC000657592179 411556545 /nfs/dbraw/zinc/55/65/45/411556545.db2.gz FEMXAJBFBKAPSB-NTYHVHHESA-N 2 2 210.321 0.750 20 0 BCADLP CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000082759337 170249875 /nfs/dbraw/zinc/24/98/75/170249875.db2.gz HMGIPCTYFRHDPK-NXEZZACHSA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)[C@@H](CC)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000082759337 170249876 /nfs/dbraw/zinc/24/98/76/170249876.db2.gz HMGIPCTYFRHDPK-NXEZZACHSA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250653652 170266769 /nfs/dbraw/zinc/26/67/69/170266769.db2.gz AAUYIPMWDYCMME-GARJFASQSA-N 2 2 228.336 0.997 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250653652 170266770 /nfs/dbraw/zinc/26/67/70/170266770.db2.gz AAUYIPMWDYCMME-GARJFASQSA-N 2 2 228.336 0.997 20 0 BCADLP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251239500 170272062 /nfs/dbraw/zinc/27/20/62/170272062.db2.gz IQIMXAHQVGSWJB-MXWKQRLJSA-N 2 2 228.336 0.997 20 0 BCADLP CCOC(=O)[C@H](CC)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251239500 170272066 /nfs/dbraw/zinc/27/20/66/170272066.db2.gz IQIMXAHQVGSWJB-MXWKQRLJSA-N 2 2 228.336 0.997 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000657619666 411565228 /nfs/dbraw/zinc/56/52/28/411565228.db2.gz YIIYMUMRVKRHEU-OPRDCNLKSA-N 2 2 234.290 0.950 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000657619666 411565229 /nfs/dbraw/zinc/56/52/29/411565229.db2.gz YIIYMUMRVKRHEU-OPRDCNLKSA-N 2 2 234.290 0.950 20 0 BCADLP CCOC1CC([NH2+]C[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000124477371 170329448 /nfs/dbraw/zinc/32/94/48/170329448.db2.gz IWHINCAZLVMBCO-OTTFEQOBSA-N 2 2 241.379 0.389 20 0 BCADLP CCOC1CC([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000124477371 170329449 /nfs/dbraw/zinc/32/94/49/170329449.db2.gz IWHINCAZLVMBCO-OTTFEQOBSA-N 2 2 241.379 0.389 20 0 BCADLP CCOCCC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000011886009 170373470 /nfs/dbraw/zinc/37/34/70/170373470.db2.gz DIYVDPORTJBPLV-JTQLQIEISA-N 2 2 202.298 0.073 20 0 BCADLP CCOCCC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000011886009 170373471 /nfs/dbraw/zinc/37/34/71/170373471.db2.gz DIYVDPORTJBPLV-JTQLQIEISA-N 2 2 202.298 0.073 20 0 BCADLP CCOCC[N@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000310258614 170394656 /nfs/dbraw/zinc/39/46/56/170394656.db2.gz HFHKOLBDLHMNCZ-ZDUSSCGKSA-N 2 2 244.379 0.800 20 0 BCADLP CCOCC[N@@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000310258614 170394657 /nfs/dbraw/zinc/39/46/57/170394657.db2.gz HFHKOLBDLHMNCZ-ZDUSSCGKSA-N 2 2 244.379 0.800 20 0 BCADLP CCOCC[NH+](CC)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310258614 170394659 /nfs/dbraw/zinc/39/46/59/170394659.db2.gz HFHKOLBDLHMNCZ-ZDUSSCGKSA-N 2 2 244.379 0.800 20 0 BCADLP CCOCC[NH+](CC)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310258614 170394660 /nfs/dbraw/zinc/39/46/60/170394660.db2.gz HFHKOLBDLHMNCZ-ZDUSSCGKSA-N 2 2 244.379 0.800 20 0 BCADLP CCOCC[N@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000310258612 170395310 /nfs/dbraw/zinc/39/53/10/170395310.db2.gz HFHKOLBDLHMNCZ-CYBMUJFWSA-N 2 2 244.379 0.800 20 0 BCADLP CCOCC[N@@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000310258612 170395312 /nfs/dbraw/zinc/39/53/12/170395312.db2.gz HFHKOLBDLHMNCZ-CYBMUJFWSA-N 2 2 244.379 0.800 20 0 BCADLP CCOCC[NH+](CC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000310258612 170395313 /nfs/dbraw/zinc/39/53/13/170395313.db2.gz HFHKOLBDLHMNCZ-CYBMUJFWSA-N 2 2 244.379 0.800 20 0 BCADLP CCOCC[NH+](CC)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310258612 170395315 /nfs/dbraw/zinc/39/53/15/170395315.db2.gz HFHKOLBDLHMNCZ-CYBMUJFWSA-N 2 2 244.379 0.800 20 0 BCADLP COC[C@@](C)([NH3+])CNc1nc(C)[nH+]cc1C ZINC000568244030 411643494 /nfs/dbraw/zinc/64/34/94/411643494.db2.gz XULQTAIWQUDUTJ-NSHDSACASA-N 2 2 224.308 0.869 20 0 BCADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+]([C@H]1CCNC1=O)C2 ZINC000660657457 411614852 /nfs/dbraw/zinc/61/48/52/411614852.db2.gz QGBFBGFQXRANNN-AAEUAGOBSA-N 2 2 237.347 0.293 20 0 BCADLP C[N@H+]1CC[C@]2(C1)CCC[NH+]([C@H]1CCNC1=O)C2 ZINC000660657457 411614854 /nfs/dbraw/zinc/61/48/54/411614854.db2.gz QGBFBGFQXRANNN-AAEUAGOBSA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+]([C@H]1CCNC1=O)C2 ZINC000660657457 411614856 /nfs/dbraw/zinc/61/48/56/411614856.db2.gz QGBFBGFQXRANNN-AAEUAGOBSA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+]1CC[C@]2(C1)CCC[N@H+]([C@H]1CCNC1=O)C2 ZINC000660657457 411614857 /nfs/dbraw/zinc/61/48/57/411614857.db2.gz QGBFBGFQXRANNN-AAEUAGOBSA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCCn2nccc21 ZINC000657876526 411615324 /nfs/dbraw/zinc/61/53/24/411615324.db2.gz XLDDVCQMNIJSCB-WDEREUQCSA-N 2 2 238.335 0.230 20 0 BCADLP Cc1cc(NCCNC(N)=[NH2+])nc(C(C)C)[nH+]1 ZINC000630387697 411646519 /nfs/dbraw/zinc/64/65/19/411646519.db2.gz XRNDWEGKWHABFH-UHFFFAOYSA-N 2 2 236.323 0.803 20 0 BCADLP CCCCOCC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000133311683 411706468 /nfs/dbraw/zinc/70/64/68/411706468.db2.gz TVNMVWWKSOUYSB-VXGBXAGGSA-N 2 2 230.352 0.851 20 0 BCADLP CCCCOCC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000133311683 411706473 /nfs/dbraw/zinc/70/64/73/411706473.db2.gz TVNMVWWKSOUYSB-VXGBXAGGSA-N 2 2 230.352 0.851 20 0 BCADLP CC(C)OCC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000133328937 411711576 /nfs/dbraw/zinc/71/15/76/411711576.db2.gz HNFJCOIELDEOPZ-MNOVXSKESA-N 2 2 216.325 0.459 20 0 BCADLP CC(C)OCC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000133328937 411711581 /nfs/dbraw/zinc/71/15/81/411711581.db2.gz HNFJCOIELDEOPZ-MNOVXSKESA-N 2 2 216.325 0.459 20 0 BCADLP Cc1cc(NC[C@H](C)[NH3+])nc(C2CC2)[nH+]1 ZINC000643036006 411649071 /nfs/dbraw/zinc/64/90/71/411649071.db2.gz DLTVZWKXSHCVLI-ZETCQYMHSA-N 2 2 206.293 1.422 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)Cc1n[nH]c(=O)o1 ZINC000660847286 411657101 /nfs/dbraw/zinc/65/71/01/411657101.db2.gz PCRXRANDLMMXBJ-UHFFFAOYSA-N 2 2 223.236 0.104 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)Cc1n[nH]c(=O)o1 ZINC000660847286 411657110 /nfs/dbraw/zinc/65/71/10/411657110.db2.gz PCRXRANDLMMXBJ-UHFFFAOYSA-N 2 2 223.236 0.104 20 0 BCADLP C[C@H]1CCCCN1C(=O)C[N@H+](C)CCC[NH3+] ZINC000133217654 411657302 /nfs/dbraw/zinc/65/73/02/411657302.db2.gz QKYYJAOKAUGSGN-NSHDSACASA-N 2 2 227.352 0.668 20 0 BCADLP C[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC[NH3+] ZINC000133217654 411657309 /nfs/dbraw/zinc/65/73/09/411657309.db2.gz QKYYJAOKAUGSGN-NSHDSACASA-N 2 2 227.352 0.668 20 0 BCADLP Cc1cc(N[C@@H]2CC[NH2+]C2)nc(C2CC2)[nH+]1 ZINC000420147487 411657454 /nfs/dbraw/zinc/65/74/54/411657454.db2.gz CWKOIYNAHVVQHE-SNVBAGLBSA-N 2 2 218.304 1.436 20 0 BCADLP C([NH+]1CCC2(CC[NH2+]2)CC1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663497015 411679568 /nfs/dbraw/zinc/67/95/68/411679568.db2.gz KTUYXLBLCSFFGF-NEPJUHHUSA-N 3 2 221.348 0.424 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663498045 411681392 /nfs/dbraw/zinc/68/13/92/411681392.db2.gz RDBBTKIUCZUVEJ-WYUUTHIRSA-N 3 2 209.337 0.184 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@]12C[C@H]1C[NH2+]C2 ZINC000663498389 411682596 /nfs/dbraw/zinc/68/25/96/411682596.db2.gz SGELFPNWHQQFDJ-FIQHERPVSA-N 3 2 209.337 0.326 20 0 BCADLP OCc1cc[nH+]c(NCCCn2cc[nH+]c2)c1 ZINC000641252708 411692430 /nfs/dbraw/zinc/69/24/30/411692430.db2.gz QWLJRHOWICFKFC-UHFFFAOYSA-N 2 2 232.287 1.273 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+]Cc1cnc2cnccn12 ZINC000663511242 411692807 /nfs/dbraw/zinc/69/28/07/411692807.db2.gz WPKGDVXNQNTGLU-VIFPVBQESA-N 2 2 219.292 0.427 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)Cc1cnc[nH]1 ZINC000661091116 411701736 /nfs/dbraw/zinc/70/17/36/411701736.db2.gz VJJZKXOXBMOOMG-UHFFFAOYSA-N 2 2 219.292 0.818 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1cnc[nH]1 ZINC000661091116 411701741 /nfs/dbraw/zinc/70/17/41/411701741.db2.gz VJJZKXOXBMOOMG-UHFFFAOYSA-N 2 2 219.292 0.818 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)Cc1c[nH]cn1 ZINC000661091116 411701745 /nfs/dbraw/zinc/70/17/45/411701745.db2.gz VJJZKXOXBMOOMG-UHFFFAOYSA-N 2 2 219.292 0.818 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1c[nH]cn1 ZINC000661091116 411701748 /nfs/dbraw/zinc/70/17/48/411701748.db2.gz VJJZKXOXBMOOMG-UHFFFAOYSA-N 2 2 219.292 0.818 20 0 BCADLP Cc1c[nH+]c(C)nc1NC[C@@H]1C[N@H+](C)CCO1 ZINC000576885793 411734488 /nfs/dbraw/zinc/73/44/88/411734488.db2.gz FYXPXMSGFAIFRH-LLVKDONJSA-N 2 2 236.319 0.836 20 0 BCADLP Cc1c[nH+]c(C)nc1NC[C@@H]1C[N@@H+](C)CCO1 ZINC000576885793 411734493 /nfs/dbraw/zinc/73/44/93/411734493.db2.gz FYXPXMSGFAIFRH-LLVKDONJSA-N 2 2 236.319 0.836 20 0 BCADLP Cc1nc(N[C@@H](C)C[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000436706867 411768504 /nfs/dbraw/zinc/76/85/04/411768504.db2.gz QAXMKNVPJWPSEU-QMMMGPOBSA-N 2 2 238.339 0.608 20 0 BCADLP Cc1nc(N[C@H](C)CN2CC[NH+](C)CC2)cc[nH+]1 ZINC000361017916 411786126 /nfs/dbraw/zinc/78/61/26/411786126.db2.gz PYEJMXLZIBDHOW-LLVKDONJSA-N 2 2 249.362 0.833 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](CO)C1CCC1 ZINC000661157000 411722985 /nfs/dbraw/zinc/72/29/85/411722985.db2.gz ZTMZEUMVALJJQR-NEPJUHHUSA-N 2 2 212.337 0.831 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](CO)C1CCC1 ZINC000661157000 411722988 /nfs/dbraw/zinc/72/29/88/411722988.db2.gz ZTMZEUMVALJJQR-NEPJUHHUSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@@H]([NH3+])CCNc1ncnc2c1C[N@H+](C)CC2 ZINC000420154399 411821711 /nfs/dbraw/zinc/82/17/11/411821711.db2.gz INDGBLGGYMBSST-SECBINFHSA-N 2 2 235.335 0.614 20 0 BCADLP C[C@@H]([NH3+])CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC000420154399 411821716 /nfs/dbraw/zinc/82/17/16/411821716.db2.gz INDGBLGGYMBSST-SECBINFHSA-N 2 2 235.335 0.614 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000420271328 411825412 /nfs/dbraw/zinc/82/54/12/411825412.db2.gz VNTPMAPPXTWXIO-HTQZYQBOSA-N 2 2 206.293 1.502 20 0 BCADLP C[C@@]12COC[C@@H]1C[N@H+](CCn1cc[nH+]c1)C2 ZINC000661699321 411844993 /nfs/dbraw/zinc/84/49/93/411844993.db2.gz JSOWHZXZLPQWEZ-NWDGAFQWSA-N 2 2 221.304 0.851 20 0 BCADLP C[C@@]12COC[C@@H]1C[N@@H+](CCn1cc[nH+]c1)C2 ZINC000661699321 411844995 /nfs/dbraw/zinc/84/49/95/411844995.db2.gz JSOWHZXZLPQWEZ-NWDGAFQWSA-N 2 2 221.304 0.851 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NC(C)(C)C ZINC000133595219 411851624 /nfs/dbraw/zinc/85/16/24/411851624.db2.gz HYRQBKVMVUQCPI-VHSXEESVSA-N 2 2 227.352 0.713 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NC(C)(C)C ZINC000133595219 411851627 /nfs/dbraw/zinc/85/16/27/411851627.db2.gz HYRQBKVMVUQCPI-VHSXEESVSA-N 2 2 227.352 0.713 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC(=O)N(C)CC1 ZINC000661805290 411886840 /nfs/dbraw/zinc/88/68/40/411886840.db2.gz FXVHROOEIRNFOD-UHFFFAOYSA-N 2 2 236.319 0.356 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCC(=O)N(C)CC1 ZINC000661805290 411886845 /nfs/dbraw/zinc/88/68/45/411886845.db2.gz FXVHROOEIRNFOD-UHFFFAOYSA-N 2 2 236.319 0.356 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000661825833 411893050 /nfs/dbraw/zinc/89/30/50/411893050.db2.gz GKJMJCOHALQZNY-IJLUTSLNSA-N 2 2 224.348 0.974 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000661825833 411893053 /nfs/dbraw/zinc/89/30/53/411893053.db2.gz GKJMJCOHALQZNY-IJLUTSLNSA-N 2 2 224.348 0.974 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1ccnc(N)c1 ZINC000420357040 411906990 /nfs/dbraw/zinc/90/69/90/411906990.db2.gz DCUPSVMUVMSLGE-BREBYQMCSA-N 2 2 234.347 1.140 20 0 BCADLP C[C@@H]1C[NH2+][C@@H](C)CN1Cc1cc[nH+]c(N)c1 ZINC000420340831 411909941 /nfs/dbraw/zinc/90/99/41/411909941.db2.gz SNHXSPWXLAZFEJ-VHSXEESVSA-N 2 2 220.320 0.846 20 0 BCADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cnc(N)s1 ZINC000573000819 411919049 /nfs/dbraw/zinc/91/90/49/411919049.db2.gz TYMDQFFCWLEGCO-WDSKDSINSA-N 2 2 200.311 0.551 20 0 BCADLP C[C@H]([NH2+]C1CC1)C(=O)Nc1ccc(N)[nH+]c1 ZINC000647756423 411921211 /nfs/dbraw/zinc/92/12/11/411921211.db2.gz FKNKIOVKZAVZTP-ZETCQYMHSA-N 2 2 220.276 0.743 20 0 BCADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(N)nc2)C[NH2+]1 ZINC000629660041 411929398 /nfs/dbraw/zinc/92/93/98/411929398.db2.gz MMBJZVGNFDJGPR-ONGXEEELSA-N 2 2 220.320 0.894 20 0 BCADLP Nc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)ccn1 ZINC000621784393 411939387 /nfs/dbraw/zinc/93/93/87/411939387.db2.gz OIBIJOBFBRYFSG-AAEUAGOBSA-N 2 2 232.331 0.977 20 0 BCADLP Nc1cc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)ccn1 ZINC000621784393 411939392 /nfs/dbraw/zinc/93/93/92/411939392.db2.gz OIBIJOBFBRYFSG-AAEUAGOBSA-N 2 2 232.331 0.977 20 0 BCADLP Nc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000566916031 411939437 /nfs/dbraw/zinc/93/94/37/411939437.db2.gz WZLIAWLEWWROQO-NWDGAFQWSA-N 2 2 232.331 0.705 20 0 BCADLP Nc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000566916031 411939439 /nfs/dbraw/zinc/93/94/39/411939439.db2.gz WZLIAWLEWWROQO-NWDGAFQWSA-N 2 2 232.331 0.705 20 0 BCADLP Nc1cc(CN2CCC[C@H]3C[NH2+]C[C@H]32)cc[nH+]1 ZINC000331845514 411940180 /nfs/dbraw/zinc/94/01/80/411940180.db2.gz UYUOHEWMMUJEKD-NWDGAFQWSA-N 2 2 232.331 0.848 20 0 BCADLP CC[C@@H]([NH3+])C[NH2+]Cc1cnc(N)s1 ZINC000574204547 411877154 /nfs/dbraw/zinc/87/71/54/411877154.db2.gz LBDKJHZSDKXFRJ-ZCFIWIBFSA-N 2 2 200.311 0.552 20 0 BCADLP Cc1nc(N2CC[C@H]([NH+]3CCCC3)C2)nc(N)[nH+]1 ZINC000385117962 411963846 /nfs/dbraw/zinc/96/38/46/411963846.db2.gz RGMYBLVGVWBFQM-JTQLQIEISA-N 2 2 248.334 0.437 20 0 BCADLP Cc1nc(N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)nc(N)[nH+]1 ZINC000631199834 411965008 /nfs/dbraw/zinc/96/50/08/411965008.db2.gz VRBYCTUMDYJROM-ZJUUUORDSA-N 2 2 248.334 0.293 20 0 BCADLP Cc1nc(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)nc(N)[nH+]1 ZINC000631199834 411965012 /nfs/dbraw/zinc/96/50/12/411965012.db2.gz VRBYCTUMDYJROM-ZJUUUORDSA-N 2 2 248.334 0.293 20 0 BCADLP Nc1nc(NCCCC[NH3+])[nH+]c2ccccc12 ZINC000577608664 411976044 /nfs/dbraw/zinc/97/60/44/411976044.db2.gz SDMLOCVKQPCIRX-UHFFFAOYSA-N 2 2 231.303 0.785 20 0 BCADLP Nc1ccc(NC(=O)C2(C[NH3+])CCCC2)c[nH+]1 ZINC000428919792 411976810 /nfs/dbraw/zinc/97/68/10/411976810.db2.gz ZKIHCZURYMYKAK-UHFFFAOYSA-N 2 2 234.303 1.121 20 0 BCADLP C[C@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@]1(C)CO ZINC000662144293 412005694 /nfs/dbraw/zinc/00/56/94/412005694.db2.gz SKEFPTALECANRI-WCQYABFASA-N 2 2 237.347 0.913 20 0 BCADLP C[C@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@]1(C)CO ZINC000662144293 412005698 /nfs/dbraw/zinc/00/56/98/412005698.db2.gz SKEFPTALECANRI-WCQYABFASA-N 2 2 237.347 0.913 20 0 BCADLP COCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152646 412009447 /nfs/dbraw/zinc/00/94/47/412009447.db2.gz WODLTNUYSMNPDJ-LBPRGKRZSA-N 2 2 228.336 0.164 20 0 BCADLP COCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152646 412009450 /nfs/dbraw/zinc/00/94/50/412009450.db2.gz WODLTNUYSMNPDJ-LBPRGKRZSA-N 2 2 228.336 0.164 20 0 BCADLP Nc1ncc(C[NH2+][C@H]2CCC[NH2+]C2)s1 ZINC000572601969 411962509 /nfs/dbraw/zinc/96/25/09/411962509.db2.gz CSJPXEYKXLAYCL-ZETCQYMHSA-N 2 2 212.322 0.567 20 0 BCADLP CCN1CC[C@H]([NH+]2CCC([NH3+])CC2)C1=O ZINC000662240016 412038158 /nfs/dbraw/zinc/03/81/58/412038158.db2.gz HSOHQUSSALZWLO-JTQLQIEISA-N 2 2 211.309 0.030 20 0 BCADLP COC[C@@H](C[N@@H+]1CCCC[C@H]1C[NH3+])OC ZINC000662243046 412038857 /nfs/dbraw/zinc/03/88/57/412038857.db2.gz KLXVSGJIZPSOGL-WDEREUQCSA-N 2 2 216.325 0.461 20 0 BCADLP COC[C@@H](C[N@H+]1CCCC[C@H]1C[NH3+])OC ZINC000662243046 412038860 /nfs/dbraw/zinc/03/88/60/412038860.db2.gz KLXVSGJIZPSOGL-WDEREUQCSA-N 2 2 216.325 0.461 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662243697 412039775 /nfs/dbraw/zinc/03/97/75/412039775.db2.gz OXZNUPZQHXXMOK-NWDGAFQWSA-N 3 2 239.363 0.321 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662243697 412039778 /nfs/dbraw/zinc/03/97/78/412039778.db2.gz OXZNUPZQHXXMOK-NWDGAFQWSA-N 3 2 239.363 0.321 20 0 BCADLP Cc1nnc([C@@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)[nH]1 ZINC000662245878 412043824 /nfs/dbraw/zinc/04/38/24/412043824.db2.gz VFCYHBUJTZCSFA-VXNVDRBHSA-N 2 2 209.297 0.455 20 0 BCADLP Cc1nnc([C@@H](C)[N@H+]2CC[C@H](C[NH3+])C2)[nH]1 ZINC000662245878 412043825 /nfs/dbraw/zinc/04/38/25/412043825.db2.gz VFCYHBUJTZCSFA-VXNVDRBHSA-N 2 2 209.297 0.455 20 0 BCADLP CC(C)C[C@H]1COCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662254255 412050229 /nfs/dbraw/zinc/05/02/29/412050229.db2.gz GLLGMJQATZZZSB-QWHCGFSZSA-N 2 2 242.363 0.722 20 0 BCADLP CC(C)C[C@H]1COCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662254255 412050230 /nfs/dbraw/zinc/05/02/30/412050230.db2.gz GLLGMJQATZZZSB-QWHCGFSZSA-N 2 2 242.363 0.722 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000662259286 412053021 /nfs/dbraw/zinc/05/30/21/412053021.db2.gz UIDWIPAPUKWFPX-VXGBXAGGSA-N 2 2 226.320 0.087 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000662259286 412053022 /nfs/dbraw/zinc/05/30/22/412053022.db2.gz UIDWIPAPUKWFPX-VXGBXAGGSA-N 2 2 226.320 0.087 20 0 BCADLP C[N@@H+](Cc1cc[nH]n1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662263893 412056878 /nfs/dbraw/zinc/05/68/78/412056878.db2.gz QCKKIFZUUBIEOH-LLVKDONJSA-N 2 2 236.319 0.363 20 0 BCADLP C[N@H+](Cc1cc[nH]n1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662263893 412056879 /nfs/dbraw/zinc/05/68/79/412056879.db2.gz QCKKIFZUUBIEOH-LLVKDONJSA-N 2 2 236.319 0.363 20 0 BCADLP Cc1nnc([C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)[nH]1 ZINC000662265922 412057546 /nfs/dbraw/zinc/05/75/46/412057546.db2.gz UBMPXIHTHOCCOZ-WEDXCCLWSA-N 2 2 223.324 0.843 20 0 BCADLP Cc1nnc([C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@H]2C)[nH]1 ZINC000662265922 412057549 /nfs/dbraw/zinc/05/75/49/412057549.db2.gz UBMPXIHTHOCCOZ-WEDXCCLWSA-N 2 2 223.324 0.843 20 0 BCADLP CC[C@@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@@H]1O ZINC000272011274 171081119 /nfs/dbraw/zinc/08/11/19/171081119.db2.gz JXQRVGDTQBPELM-NEPJUHHUSA-N 2 2 223.320 0.976 20 0 BCADLP CC[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@@H]1O ZINC000272011274 171081129 /nfs/dbraw/zinc/08/11/29/171081129.db2.gz JXQRVGDTQBPELM-NEPJUHHUSA-N 2 2 223.320 0.976 20 0 BCADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662273201 412064778 /nfs/dbraw/zinc/06/47/78/412064778.db2.gz MVYSXCMIHGZKLS-RYUDHWBXSA-N 3 2 227.352 0.178 20 0 BCADLP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662273201 412064781 /nfs/dbraw/zinc/06/47/81/412064781.db2.gz MVYSXCMIHGZKLS-RYUDHWBXSA-N 3 2 227.352 0.178 20 0 BCADLP COC[C@H](C[N@H+](C)C1(C[NH3+])CCC1)OC ZINC000662273289 412066172 /nfs/dbraw/zinc/06/61/72/412066172.db2.gz LIQJGDGFIQKVDT-JTQLQIEISA-N 2 2 216.325 0.461 20 0 BCADLP COC[C@H](C[N@@H+](C)C1(C[NH3+])CCC1)OC ZINC000662273289 412066175 /nfs/dbraw/zinc/06/61/75/412066175.db2.gz LIQJGDGFIQKVDT-JTQLQIEISA-N 2 2 216.325 0.461 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000353442354 171146216 /nfs/dbraw/zinc/14/62/16/171146216.db2.gz BVQGSPIQXPMOLD-UWVGGRQHSA-N 2 2 236.319 0.457 20 0 BCADLP CCN1CC[C@H]([NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)C1=O ZINC000662276521 412069434 /nfs/dbraw/zinc/06/94/34/412069434.db2.gz JMHXJKJPLNHKIW-FIQHERPVSA-N 2 2 239.363 0.583 20 0 BCADLP C[C@H](CO)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662286200 412076561 /nfs/dbraw/zinc/07/65/61/412076561.db2.gz POSYFNIWRAQODS-DGCLKSJQSA-N 2 2 242.363 0.315 20 0 BCADLP OCC1([NH2+]Cc2cccnc2)CC[NH2+]CC1 ZINC000662286410 412077353 /nfs/dbraw/zinc/07/73/53/412077353.db2.gz GWAOPOHLQAFLQX-UHFFFAOYSA-N 2 2 221.304 0.286 20 0 BCADLP FC1(F)C[C@@]12CC[N@H+](C[C@H]1C[NH2+]CCO1)C2 ZINC000662285138 412077529 /nfs/dbraw/zinc/07/75/29/412077529.db2.gz XWAQOEQQAWNTMV-NXEZZACHSA-N 2 2 232.274 0.706 20 0 BCADLP FC1(F)C[C@@]12CC[N@@H+](C[C@H]1C[NH2+]CCO1)C2 ZINC000662285138 412077530 /nfs/dbraw/zinc/07/75/30/412077530.db2.gz XWAQOEQQAWNTMV-NXEZZACHSA-N 2 2 232.274 0.706 20 0 BCADLP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000662282403 412071946 /nfs/dbraw/zinc/07/19/46/412071946.db2.gz HEZBNYMWEDDTTK-YVECIDJPSA-N 3 2 241.379 0.280 20 0 BCADLP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000662282403 412071951 /nfs/dbraw/zinc/07/19/51/412071951.db2.gz HEZBNYMWEDDTTK-YVECIDJPSA-N 3 2 241.379 0.280 20 0 BCADLP CC[C@H](C(=O)NCc1[nH+]ccn1C)[NH+](C)C ZINC000359214856 171230609 /nfs/dbraw/zinc/23/06/09/171230609.db2.gz HNIWQOMETWXKLN-SECBINFHSA-N 2 2 224.308 0.377 20 0 BCADLP CC[C@H](C(=O)NCc1c[nH+]c[nH]1)[NH+](C)C ZINC000338964875 171231324 /nfs/dbraw/zinc/23/13/24/171231324.db2.gz DHYHELBXDCCQFJ-SECBINFHSA-N 2 2 210.281 0.366 20 0 BCADLP CC[C@H](C(=O)NCc1c[nH]c[nH+]1)[NH+](C)C ZINC000338964875 171231325 /nfs/dbraw/zinc/23/13/25/171231325.db2.gz DHYHELBXDCCQFJ-SECBINFHSA-N 2 2 210.281 0.366 20 0 BCADLP c1cncc([C@H]2CC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)c1 ZINC000662283926 412074969 /nfs/dbraw/zinc/07/49/69/412074969.db2.gz RKPAYZOEXVZMGZ-UONOGXRCSA-N 2 2 247.342 0.859 20 0 BCADLP c1cncc([C@H]2CC[N@H+](C[C@H]3C[NH2+]CCO3)C2)c1 ZINC000662283926 412074974 /nfs/dbraw/zinc/07/49/74/412074974.db2.gz RKPAYZOEXVZMGZ-UONOGXRCSA-N 2 2 247.342 0.859 20 0 BCADLP CC[C@H](C)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093173259 171272376 /nfs/dbraw/zinc/27/23/76/171272376.db2.gz IYRXZQXLKZIYJV-LBPRGKRZSA-N 2 2 241.379 0.738 20 0 BCADLP CC[C@H](C)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093173259 171272377 /nfs/dbraw/zinc/27/23/77/171272377.db2.gz IYRXZQXLKZIYJV-LBPRGKRZSA-N 2 2 241.379 0.738 20 0 BCADLP C[N@H+](CCOC[C@@H]1CCCO1)CC(C)(C)[NH3+] ZINC000662292503 412082747 /nfs/dbraw/zinc/08/27/47/412082747.db2.gz IZZIINHZEQTADG-NSHDSACASA-N 2 2 230.352 0.851 20 0 BCADLP C[N@@H+](CCOC[C@@H]1CCCO1)CC(C)(C)[NH3+] ZINC000662292503 412082749 /nfs/dbraw/zinc/08/27/49/412082749.db2.gz IZZIINHZEQTADG-NSHDSACASA-N 2 2 230.352 0.851 20 0 BCADLP Cc1csc(=O)n1CC[N@@H+](C)CC(C)(C)[NH3+] ZINC000662297312 412084170 /nfs/dbraw/zinc/08/41/70/412084170.db2.gz JUKJLKBNGBYRFI-UHFFFAOYSA-N 2 2 243.376 0.887 20 0 BCADLP Cc1csc(=O)n1CC[N@H+](C)CC(C)(C)[NH3+] ZINC000662297312 412084174 /nfs/dbraw/zinc/08/41/74/412084174.db2.gz JUKJLKBNGBYRFI-UHFFFAOYSA-N 2 2 243.376 0.887 20 0 BCADLP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000358007070 171322485 /nfs/dbraw/zinc/32/24/85/171322485.db2.gz RKPNXQSWFWYWEM-GRYCIOLGSA-N 2 2 241.379 0.831 20 0 BCADLP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000358007070 171322487 /nfs/dbraw/zinc/32/24/87/171322487.db2.gz RKPNXQSWFWYWEM-GRYCIOLGSA-N 2 2 241.379 0.831 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000035105625 171324941 /nfs/dbraw/zinc/32/49/41/171324941.db2.gz KXPZVOFVYHGWFG-WDEREUQCSA-N 2 2 227.352 0.572 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000035105625 171324942 /nfs/dbraw/zinc/32/49/42/171324942.db2.gz KXPZVOFVYHGWFG-WDEREUQCSA-N 2 2 227.352 0.572 20 0 BCADLP [NH3+]CC[N@H+](CCC1CCCCC1)C[C@@H](O)CO ZINC000662288478 412079443 /nfs/dbraw/zinc/07/94/43/412079443.db2.gz IDXQKNBWJIBMRI-CYBMUJFWSA-N 2 2 244.379 0.571 20 0 BCADLP [NH3+]CC[N@@H+](CCC1CCCCC1)C[C@@H](O)CO ZINC000662288478 412079446 /nfs/dbraw/zinc/07/94/46/412079446.db2.gz IDXQKNBWJIBMRI-CYBMUJFWSA-N 2 2 244.379 0.571 20 0 BCADLP Cc1cccc(C[N@H+](CC[NH3+])C[C@H](O)CO)c1 ZINC000662288201 412080137 /nfs/dbraw/zinc/08/01/37/412080137.db2.gz FQKTUJYDQYTCEB-ZDUSSCGKSA-N 2 2 238.331 0.109 20 0 BCADLP Cc1cccc(C[N@@H+](CC[NH3+])C[C@H](O)CO)c1 ZINC000662288201 412080140 /nfs/dbraw/zinc/08/01/40/412080140.db2.gz FQKTUJYDQYTCEB-ZDUSSCGKSA-N 2 2 238.331 0.109 20 0 BCADLP C[N@H+](CCCCS(C)(=O)=O)CC(C)(C)[NH3+] ZINC000662292714 412081562 /nfs/dbraw/zinc/08/15/62/412081562.db2.gz KDSVBYKIBOTIQT-UHFFFAOYSA-N 2 2 236.381 0.480 20 0 BCADLP C[N@@H+](CCCCS(C)(=O)=O)CC(C)(C)[NH3+] ZINC000662292714 412081565 /nfs/dbraw/zinc/08/15/65/412081565.db2.gz KDSVBYKIBOTIQT-UHFFFAOYSA-N 2 2 236.381 0.480 20 0 BCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000020506369 171371179 /nfs/dbraw/zinc/37/11/79/171371179.db2.gz ZKWZUNLTPNTPQL-WDEREUQCSA-N 2 2 238.335 0.763 20 0 BCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000020506371 171395094 /nfs/dbraw/zinc/39/50/94/171395094.db2.gz ZKWZUNLTPNTPQL-QWRGUYRKSA-N 2 2 238.335 0.763 20 0 BCADLP Cc1c[nH+]c2cc(C(=O)N3CC[NH2+]CC3)ccn12 ZINC000662392439 412143139 /nfs/dbraw/zinc/14/31/39/412143139.db2.gz BNBJTEKKPTWJQL-UHFFFAOYSA-N 2 2 244.298 0.688 20 0 BCADLP C[C@@]12COC[C@]1(C)C[N@@H+](C[C@@H]1C[NH2+]CCO1)C2 ZINC000662301989 412088153 /nfs/dbraw/zinc/08/81/53/412088153.db2.gz JKLISHKXXFJBTH-RWMBFGLXSA-N 2 2 240.347 0.333 20 0 BCADLP C[C@@]12COC[C@]1(C)C[N@H+](C[C@@H]1C[NH2+]CCO1)C2 ZINC000662301989 412088157 /nfs/dbraw/zinc/08/81/57/412088157.db2.gz JKLISHKXXFJBTH-RWMBFGLXSA-N 2 2 240.347 0.333 20 0 BCADLP C[C@@]12COC[C@]1(C)C[N@@H+](C[C@H]1C[NH2+]CCO1)C2 ZINC000662301990 412088852 /nfs/dbraw/zinc/08/88/52/412088852.db2.gz JKLISHKXXFJBTH-UPJWGTAASA-N 2 2 240.347 0.333 20 0 BCADLP C[C@@]12COC[C@]1(C)C[N@H+](C[C@H]1C[NH2+]CCO1)C2 ZINC000662301990 412088856 /nfs/dbraw/zinc/08/88/56/412088856.db2.gz JKLISHKXXFJBTH-UPJWGTAASA-N 2 2 240.347 0.333 20 0 BCADLP [NH3+]CC12CC(C1)C[N@@H+]2CCn1cccn1 ZINC000662303795 412089182 /nfs/dbraw/zinc/08/91/82/412089182.db2.gz GLQOVSDAPFRQEJ-UHFFFAOYSA-N 2 2 206.293 0.306 20 0 BCADLP [NH3+]CC12CC(C1)C[N@H+]2CCn1cccn1 ZINC000662303795 412089185 /nfs/dbraw/zinc/08/91/85/412089185.db2.gz GLQOVSDAPFRQEJ-UHFFFAOYSA-N 2 2 206.293 0.306 20 0 BCADLP CC[C@H]1C(=O)N(CC)CC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000662306594 412091843 /nfs/dbraw/zinc/09/18/43/412091843.db2.gz SCRIBWJMPVKZJE-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP CC[C@H]1C(=O)N(CC)CC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000662306594 412091846 /nfs/dbraw/zinc/09/18/46/412091846.db2.gz SCRIBWJMPVKZJE-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662317520 412097416 /nfs/dbraw/zinc/09/74/16/412097416.db2.gz QQDVSGAYIKKLOE-UWVGGRQHSA-N 2 2 228.340 0.021 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662317520 412097421 /nfs/dbraw/zinc/09/74/21/412097421.db2.gz QQDVSGAYIKKLOE-UWVGGRQHSA-N 2 2 228.340 0.021 20 0 BCADLP CCCCNC(=O)CC[N@@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662325153 412102038 /nfs/dbraw/zinc/10/20/38/412102038.db2.gz IRJSIBGMURPTTM-GHMZBOCLSA-N 2 2 245.342 0.664 20 0 BCADLP CCCCNC(=O)CC[N@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662325153 412102041 /nfs/dbraw/zinc/10/20/41/412102041.db2.gz IRJSIBGMURPTTM-GHMZBOCLSA-N 2 2 245.342 0.664 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662327348 412104562 /nfs/dbraw/zinc/10/45/62/412104562.db2.gz OEBIBOVRQOMZFZ-CYBMUJFWSA-N 3 2 243.395 0.639 20 0 BCADLP C[NH2+]CCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662327348 412104565 /nfs/dbraw/zinc/10/45/65/412104565.db2.gz OEBIBOVRQOMZFZ-CYBMUJFWSA-N 3 2 243.395 0.639 20 0 BCADLP CC[C@@H]1C[N@H+](Cc2cn(C)nn2)CC[C@@H]1[NH3+] ZINC000220233023 412127176 /nfs/dbraw/zinc/12/71/76/412127176.db2.gz KFQNOAKUSIDPPP-KOLCDFICSA-N 2 2 223.324 0.374 20 0 BCADLP CC[C@@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@@H]1[NH3+] ZINC000220233023 412127181 /nfs/dbraw/zinc/12/71/81/412127181.db2.gz KFQNOAKUSIDPPP-KOLCDFICSA-N 2 2 223.324 0.374 20 0 BCADLP CO[C@@H](C)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000665244811 412178026 /nfs/dbraw/zinc/17/80/26/412178026.db2.gz XEZWZOAZKQXGMH-WCQGTBRESA-N 2 2 228.336 0.378 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CCCC1 ZINC000665246600 412178481 /nfs/dbraw/zinc/17/84/81/412178481.db2.gz JLZSKAUEWHIOQN-QWRGUYRKSA-N 3 2 211.353 0.975 20 0 BCADLP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C2)c2[nH+]ccn21 ZINC000665241140 412183567 /nfs/dbraw/zinc/18/35/67/412183567.db2.gz AECISWNCDHWWJX-UTLUCORTSA-N 2 2 206.293 0.840 20 0 BCADLP c1c[nH+]c([C@@H](N[C@H]2CC[NH2+]C2)c2cccnc2)[nH]1 ZINC000665242219 412184548 /nfs/dbraw/zinc/18/45/48/412184548.db2.gz OSKZAZAIQWTTKF-RYUDHWBXSA-N 2 2 243.314 0.846 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000665244592 412187465 /nfs/dbraw/zinc/18/74/65/412187465.db2.gz RJJFYOBCBUTXGJ-KXUCPTDWSA-N 2 2 234.290 0.998 20 0 BCADLP CCn1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)nn1 ZINC000665245614 412188667 /nfs/dbraw/zinc/18/86/67/412188667.db2.gz NOLPMYXZRMPVMO-CMPLNLGQSA-N 2 2 237.351 0.776 20 0 BCADLP CCn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)nn1 ZINC000665245730 412190559 /nfs/dbraw/zinc/19/05/59/412190559.db2.gz QCJYEAFDYXUKQR-ZACCUICWSA-N 2 2 235.335 0.671 20 0 BCADLP C[NH+](C)C1(CNc2nc[nH+]c3c2OCCN3)CC1 ZINC000642310850 412153010 /nfs/dbraw/zinc/15/30/10/412153010.db2.gz CBFHAKGWBGTSHQ-UHFFFAOYSA-N 2 2 249.318 0.787 20 0 BCADLP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000662413604 412157090 /nfs/dbraw/zinc/15/70/90/412157090.db2.gz YRVSUIZTPUKXCY-MRVPVSSYSA-N 2 2 208.265 0.600 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)[C@@H]1CCOC1 ZINC000665234547 412174794 /nfs/dbraw/zinc/17/47/94/412174794.db2.gz FQCIBMDBUGBDAS-FDYHWXHSSA-N 2 2 242.363 0.626 20 0 BCADLP Cc1[nH]c(C(=O)NCC2([NH3+])CCCC2)c[nH+]1 ZINC000662651234 412256982 /nfs/dbraw/zinc/25/69/82/412256982.db2.gz UXAVHUVTSTVXLN-UHFFFAOYSA-N 2 2 222.292 0.719 20 0 BCADLP C[N@@H+]1CC[C@](O)(CNc2cc[nH+]c(C3CC3)n2)C1 ZINC000358330795 412257902 /nfs/dbraw/zinc/25/79/02/412257902.db2.gz FXGUFPRPSAMAAH-ZDUSSCGKSA-N 2 2 248.330 0.833 20 0 BCADLP C[N@H+]1CC[C@](O)(CNc2cc[nH+]c(C3CC3)n2)C1 ZINC000358330795 412257906 /nfs/dbraw/zinc/25/79/06/412257906.db2.gz FXGUFPRPSAMAAH-ZDUSSCGKSA-N 2 2 248.330 0.833 20 0 BCADLP [NH3+]C1(CC(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000662664277 412263968 /nfs/dbraw/zinc/26/39/68/412263968.db2.gz QIKJJLBIWGHCNA-UHFFFAOYSA-N 2 2 244.298 0.832 20 0 BCADLP [NH3+][C@H]1C[C@H](C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000662683477 412269880 /nfs/dbraw/zinc/26/98/80/412269880.db2.gz ZZUOXBRLXCMRRT-XYPYZODXSA-N 2 2 248.330 0.737 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662687012 412270637 /nfs/dbraw/zinc/27/06/37/412270637.db2.gz TYCYHPVLOAFBDH-GUBZILKMSA-N 2 2 222.292 0.125 20 0 BCADLP C[NH+]1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662763123 412284632 /nfs/dbraw/zinc/28/46/32/412284632.db2.gz MFIOHPNZYGZLOS-UHFFFAOYSA-N 2 2 237.347 0.435 20 0 BCADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cnn(C)c1 ZINC000665277499 412221067 /nfs/dbraw/zinc/22/10/67/412221067.db2.gz CSTIMEQVEQAWTE-GRZMOONWSA-N 2 2 220.320 0.823 20 0 BCADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cnn(C)c1 ZINC000665277498 412221097 /nfs/dbraw/zinc/22/10/97/412221097.db2.gz CSTIMEQVEQAWTE-BMQDGWLCSA-N 2 2 220.320 0.823 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000662584675 412229823 /nfs/dbraw/zinc/22/98/23/412229823.db2.gz DXOBEGFSKOAVOJ-AAEUAGOBSA-N 2 2 248.330 0.758 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000662584675 412229824 /nfs/dbraw/zinc/22/98/24/412229824.db2.gz DXOBEGFSKOAVOJ-AAEUAGOBSA-N 2 2 248.330 0.758 20 0 BCADLP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000665283493 412230089 /nfs/dbraw/zinc/23/00/89/412230089.db2.gz OTHVHKQPKDQQPG-YNEHKIRRSA-N 3 2 243.395 0.716 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662586377 412230566 /nfs/dbraw/zinc/23/05/66/412230566.db2.gz TVNMSAYLBMSRBL-WCBMZHEXSA-N 2 2 222.292 0.366 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662586377 412230569 /nfs/dbraw/zinc/23/05/69/412230569.db2.gz TVNMSAYLBMSRBL-WCBMZHEXSA-N 2 2 222.292 0.366 20 0 BCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662586375 412230641 /nfs/dbraw/zinc/23/06/41/412230641.db2.gz TVNMSAYLBMSRBL-PSASIEDQSA-N 2 2 222.292 0.366 20 0 BCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662586375 412230646 /nfs/dbraw/zinc/23/06/46/412230646.db2.gz TVNMSAYLBMSRBL-PSASIEDQSA-N 2 2 222.292 0.366 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662585777 412230799 /nfs/dbraw/zinc/23/07/99/412230799.db2.gz LQESTBLNGDUMGD-MNOVXSKESA-N 2 2 236.319 0.756 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662585777 412230801 /nfs/dbraw/zinc/23/08/01/412230801.db2.gz LQESTBLNGDUMGD-MNOVXSKESA-N 2 2 236.319 0.756 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662585780 412230972 /nfs/dbraw/zinc/23/09/72/412230972.db2.gz LQESTBLNGDUMGD-QWRGUYRKSA-N 2 2 236.319 0.756 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662585780 412230975 /nfs/dbraw/zinc/23/09/75/412230975.db2.gz LQESTBLNGDUMGD-QWRGUYRKSA-N 2 2 236.319 0.756 20 0 BCADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)C[NH2+]C ZINC000665294774 412241080 /nfs/dbraw/zinc/24/10/80/412241080.db2.gz WJLBUOHMWKLBPN-WDEREUQCSA-N 2 2 229.368 0.831 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCc2c1cnn2C ZINC000665295435 412242130 /nfs/dbraw/zinc/24/21/30/412242130.db2.gz DOPZVNXQAFHVIP-GXSJLCMTSA-N 2 2 222.336 0.995 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000665296327 412242536 /nfs/dbraw/zinc/24/25/36/412242536.db2.gz QYCZSSPQHOLLDN-GARJFASQSA-N 2 2 248.392 0.540 20 0 BCADLP FCCOCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000665298954 412248724 /nfs/dbraw/zinc/24/87/24/412248724.db2.gz DAGYQEXMDBJPTQ-NWDGAFQWSA-N 2 2 246.326 0.329 20 0 BCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662802080 412306389 /nfs/dbraw/zinc/30/63/89/412306389.db2.gz YDDDHKKYTWKRDI-XYPYZODXSA-N 2 2 236.319 0.469 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662838136 412317519 /nfs/dbraw/zinc/31/75/19/412317519.db2.gz DGUCWECPRJSNLW-ZKCHVHJHSA-N 2 2 208.265 0.105 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662838136 412317523 /nfs/dbraw/zinc/31/75/23/412317523.db2.gz DGUCWECPRJSNLW-ZKCHVHJHSA-N 2 2 208.265 0.105 20 0 BCADLP CC[C@H]([NH3+])C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000662899615 412339651 /nfs/dbraw/zinc/33/96/51/412339651.db2.gz GXDOMEZLASMRDY-BDAKNGLRSA-N 2 2 224.308 0.818 20 0 BCADLP C[C@H](NC(=O)C[NH2+]CC1CC1)c1[nH+]ccn1C ZINC000662932431 412348032 /nfs/dbraw/zinc/34/80/32/412348032.db2.gz ASJHHALAWLJWHP-VIFPVBQESA-N 2 2 236.319 0.597 20 0 BCADLP C[C@@H](NC(=O)CCC[NH3+])c1[nH+]ccn1C ZINC000662932415 412348165 /nfs/dbraw/zinc/34/81/65/412348165.db2.gz ADGLKTVOMOLNHO-MRVPVSSYSA-N 2 2 210.281 0.336 20 0 BCADLP C[C@H](NC(=O)[C@H]1CSC[NH2+]1)c1[nH+]ccn1C ZINC000662932756 412348726 /nfs/dbraw/zinc/34/87/26/412348726.db2.gz FHYYFLKZCGRTBF-JGVFFNPUSA-N 2 2 240.332 0.260 20 0 BCADLP C[C@@H](C(=O)N[C@@H](C)c1[nH+]ccn1C)[C@H](C)[NH3+] ZINC000662935675 412349273 /nfs/dbraw/zinc/34/92/73/412349273.db2.gz XOJWQSKBCPXQPF-VGMNWLOBSA-N 2 2 224.308 0.581 20 0 BCADLP C[C@H](NC(=O)CC1(C[NH3+])CC1)c1[nH+]ccn1C ZINC000662934930 412349360 /nfs/dbraw/zinc/34/93/60/412349360.db2.gz REBPRRKAHMEDAF-VIFPVBQESA-N 2 2 236.319 0.726 20 0 BCADLP C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1[nH+]ccn1C ZINC000662935758 412349507 /nfs/dbraw/zinc/34/95/07/412349507.db2.gz ZCSPVNKDHADNKI-UWVGGRQHSA-N 2 2 236.319 0.739 20 0 BCADLP C[NH2+][C@@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662935092 412350020 /nfs/dbraw/zinc/35/00/20/412350020.db2.gz RXULCWBMQPMEEW-YUMQZZPRSA-N 2 2 210.281 0.205 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC1CC(C)(C)C1 ZINC000662947245 412351441 /nfs/dbraw/zinc/35/14/41/412351441.db2.gz LNCKYSSAXTUMBO-JTQLQIEISA-N 2 2 227.352 0.570 20 0 BCADLP COCC[N@H+](C)CCNc1[nH+]cnc2[nH]ccc21 ZINC000339134499 412365600 /nfs/dbraw/zinc/36/56/00/412365600.db2.gz DUPFELNBTSXFMB-UHFFFAOYSA-N 2 2 249.318 0.948 20 0 BCADLP COCC[N@@H+](C)CCNc1[nH+]cnc2[nH]ccc21 ZINC000339134499 412365601 /nfs/dbraw/zinc/36/56/01/412365601.db2.gz DUPFELNBTSXFMB-UHFFFAOYSA-N 2 2 249.318 0.948 20 0 BCADLP C[NH2+]CCNc1[nH+]c2cccc(F)c2n1C ZINC000420156103 412291331 /nfs/dbraw/zinc/29/13/31/412291331.db2.gz MNYHIBXENKKXCE-UHFFFAOYSA-N 2 2 222.267 1.344 20 0 BCADLP C[NH2+]C[C@H](C)CNc1nc[nH+]c(N)c1Cl ZINC000420195603 412292511 /nfs/dbraw/zinc/29/25/11/412292511.db2.gz KNBJKFSWIGPCHO-LURJTMIESA-N 2 2 229.715 0.980 20 0 BCADLP C[NH2+]C[C@H](C)CNc1[nH+]cnc(N)c1Cl ZINC000420195603 412292514 /nfs/dbraw/zinc/29/25/14/412292514.db2.gz KNBJKFSWIGPCHO-LURJTMIESA-N 2 2 229.715 0.980 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)[C@H]2CC[NH2+]2)CC1(C)C ZINC000662756307 412292879 /nfs/dbraw/zinc/29/28/79/412292879.db2.gz ITDCSWCCXSGGCY-ZJUUUORDSA-N 2 2 248.330 0.692 20 0 BCADLP C[NH+]1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000662762795 412293467 /nfs/dbraw/zinc/29/34/67/412293467.db2.gz COASGVYUOHSNSF-UHFFFAOYSA-N 2 2 237.347 0.422 20 0 BCADLP C[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCC2(C)C)CC1 ZINC000662763136 412293491 /nfs/dbraw/zinc/29/34/91/412293491.db2.gz MYDNUUSWGNIRRL-JTQLQIEISA-N 2 2 225.336 0.149 20 0 BCADLP C[NH2+]CC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000662761867 412293975 /nfs/dbraw/zinc/29/39/75/412293975.db2.gz RLPAZDZLQWIBFA-SNVBAGLBSA-N 2 2 236.319 0.549 20 0 BCADLP C[C@H]([NH3+])C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000662761263 412294075 /nfs/dbraw/zinc/29/40/75/412294075.db2.gz OGKFAVOIJJUYDC-DTWKUNHWSA-N 2 2 236.319 0.677 20 0 BCADLP Nc1[nH+]cnc(NCCCC[NH3+])c1Cl ZINC000420228451 412299390 /nfs/dbraw/zinc/29/93/90/412299390.db2.gz FGQLSEAWFUXQQX-UHFFFAOYSA-N 2 2 215.688 0.863 20 0 BCADLP Nc1nc[nH+]c(NCCCC[NH3+])c1Cl ZINC000420228451 412299393 /nfs/dbraw/zinc/29/93/93/412299393.db2.gz FGQLSEAWFUXQQX-UHFFFAOYSA-N 2 2 215.688 0.863 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)C[NH3+])CC1(C)C ZINC000663023152 412373975 /nfs/dbraw/zinc/37/39/75/412373975.db2.gz RZDRLPSNCBQXLR-VIFPVBQESA-N 2 2 222.292 0.288 20 0 BCADLP COc1c(N)[nH+]cnc1NCCC[NH2+]C1CC1 ZINC000663241623 412399020 /nfs/dbraw/zinc/39/90/20/412399020.db2.gz JQAVSOJOMIYEIE-UHFFFAOYSA-N 2 2 237.307 0.621 20 0 BCADLP COc1c(N)nc[nH+]c1NCCC[NH2+]C1CC1 ZINC000663241623 412399021 /nfs/dbraw/zinc/39/90/21/412399021.db2.gz JQAVSOJOMIYEIE-UHFFFAOYSA-N 2 2 237.307 0.621 20 0 BCADLP CCc1nocc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000339319289 172099553 /nfs/dbraw/zinc/09/95/53/172099553.db2.gz GXLBAJVNQATEHN-GFCCVEGCSA-N 2 2 241.335 0.639 20 0 BCADLP C[NH+](C)C(C)(C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000279209281 172393776 /nfs/dbraw/zinc/39/37/76/172393776.db2.gz NPWWENRXQXOXHL-UHFFFAOYSA-N 2 2 238.335 0.799 20 0 BCADLP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368651290 172395211 /nfs/dbraw/zinc/39/52/11/172395211.db2.gz UNBWYEWKRIFMKD-QMMMGPOBSA-N 2 2 249.305 0.440 20 0 BCADLP C[NH+](C)C/C=C/C(=O)NCCn1cc[nH+]c1 ZINC000265672053 172399669 /nfs/dbraw/zinc/39/96/69/172399669.db2.gz TZOGOVBRTQQPHQ-ONEGZZNKSA-N 2 2 222.292 0.117 20 0 BCADLP C[N@H+](CC(=O)N1CCCCCC1)C1CC([NH3+])C1 ZINC000336233516 172603266 /nfs/dbraw/zinc/60/32/66/172603266.db2.gz YPFVOLYKUOMFIQ-UHFFFAOYSA-N 2 2 239.363 0.811 20 0 BCADLP C[N@@H+](CC(=O)N1CCCCCC1)C1CC([NH3+])C1 ZINC000336233516 172603269 /nfs/dbraw/zinc/60/32/69/172603269.db2.gz YPFVOLYKUOMFIQ-UHFFFAOYSA-N 2 2 239.363 0.811 20 0 BCADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@@H]1COC[C@H]1O ZINC000340277060 173003924 /nfs/dbraw/zinc/00/39/24/173003924.db2.gz KIDZOAKRHAGKGD-JHJVBQTASA-N 2 2 242.363 0.552 20 0 BCADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1COC[C@H]1O ZINC000340277060 173003920 /nfs/dbraw/zinc/00/39/20/173003920.db2.gz KIDZOAKRHAGKGD-JHJVBQTASA-N 2 2 242.363 0.552 20 0 BCADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1COC[C@H]1O ZINC000340277060 173003921 /nfs/dbraw/zinc/00/39/21/173003921.db2.gz KIDZOAKRHAGKGD-JHJVBQTASA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@@H]1COC[C@H]1O ZINC000340277060 173003922 /nfs/dbraw/zinc/00/39/22/173003922.db2.gz KIDZOAKRHAGKGD-JHJVBQTASA-N 2 2 242.363 0.552 20 0 BCADLP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCCNC1=O ZINC000336553889 173042609 /nfs/dbraw/zinc/04/26/09/173042609.db2.gz YPMSBXYVLWFQOE-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCCNC1=O ZINC000336553889 173042611 /nfs/dbraw/zinc/04/26/11/173042611.db2.gz YPMSBXYVLWFQOE-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCNC1=O ZINC000336553889 173042612 /nfs/dbraw/zinc/04/26/12/173042612.db2.gz YPMSBXYVLWFQOE-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCNC1=O ZINC000336553889 173042615 /nfs/dbraw/zinc/04/26/15/173042615.db2.gz YPMSBXYVLWFQOE-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338378194 173053929 /nfs/dbraw/zinc/05/39/29/173053929.db2.gz HURUVMQUODCSNL-RWMBFGLXSA-N 2 2 240.347 0.570 20 0 BCADLP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338378194 173053930 /nfs/dbraw/zinc/05/39/30/173053930.db2.gz HURUVMQUODCSNL-RWMBFGLXSA-N 2 2 240.347 0.570 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338378194 173053933 /nfs/dbraw/zinc/05/39/33/173053933.db2.gz HURUVMQUODCSNL-RWMBFGLXSA-N 2 2 240.347 0.570 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338378194 173053934 /nfs/dbraw/zinc/05/39/34/173053934.db2.gz HURUVMQUODCSNL-RWMBFGLXSA-N 2 2 240.347 0.570 20 0 BCADLP Cn1nncc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000362637500 173058510 /nfs/dbraw/zinc/05/85/10/173058510.db2.gz GBYBYJINFSHWMD-WCQYABFASA-N 2 2 249.362 0.731 20 0 BCADLP Cn1nncc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000362637500 173058513 /nfs/dbraw/zinc/05/85/13/173058513.db2.gz GBYBYJINFSHWMD-WCQYABFASA-N 2 2 249.362 0.731 20 0 BCADLP Cn1nncc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000362637500 173058515 /nfs/dbraw/zinc/05/85/15/173058515.db2.gz GBYBYJINFSHWMD-WCQYABFASA-N 2 2 249.362 0.731 20 0 BCADLP Cn1nncc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000362637500 173058517 /nfs/dbraw/zinc/05/85/17/173058517.db2.gz GBYBYJINFSHWMD-WCQYABFASA-N 2 2 249.362 0.731 20 0 BCADLP C[NH+]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000370428728 173069387 /nfs/dbraw/zinc/06/93/87/173069387.db2.gz RYTDCQDZMXMVNS-LLVKDONJSA-N 2 2 248.330 0.220 20 0 BCADLP C[NH+]1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000052880957 173071247 /nfs/dbraw/zinc/07/12/47/173071247.db2.gz VDGBEJTVNPPVQS-AWEZNQCLSA-N 2 2 247.342 0.635 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCOC1(C)C ZINC000336896530 173074911 /nfs/dbraw/zinc/07/49/11/173074911.db2.gz NXYXZJCQJATXDS-VXGBXAGGSA-N 2 2 241.379 0.389 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCOC1(C)C ZINC000336896530 173074912 /nfs/dbraw/zinc/07/49/12/173074912.db2.gz NXYXZJCQJATXDS-VXGBXAGGSA-N 2 2 241.379 0.389 20 0 BCADLP C[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000336703837 173082241 /nfs/dbraw/zinc/08/22/41/173082241.db2.gz CAJYRNLDJNZUSA-BETUJISGSA-N 2 2 239.363 0.097 20 0 BCADLP C[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000336703837 173082243 /nfs/dbraw/zinc/08/22/43/173082243.db2.gz CAJYRNLDJNZUSA-BETUJISGSA-N 2 2 239.363 0.097 20 0 BCADLP CN1CC[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1=O ZINC000116279827 173119007 /nfs/dbraw/zinc/11/90/07/173119007.db2.gz HOMZSRKHHOTYJM-GFCCVEGCSA-N 2 2 248.330 0.751 20 0 BCADLP C[N@@H+]1CC[C@@H]2CC[NH+](CCn3cccn3)[C@H]2C1 ZINC000373135887 173129904 /nfs/dbraw/zinc/12/99/04/173129904.db2.gz BIQSXRHXFMJHRB-OLZOCXBDSA-N 2 2 234.347 0.909 20 0 BCADLP C[N@H+]1CC[C@@H]2CC[NH+](CCn3cccn3)[C@H]2C1 ZINC000373135887 173129906 /nfs/dbraw/zinc/12/99/06/173129906.db2.gz BIQSXRHXFMJHRB-OLZOCXBDSA-N 2 2 234.347 0.909 20 0 BCADLP C[NH+]1CC[C@@H]2CC[N@H+](CCn3cccn3)[C@H]2C1 ZINC000373135887 173129908 /nfs/dbraw/zinc/12/99/08/173129908.db2.gz BIQSXRHXFMJHRB-OLZOCXBDSA-N 2 2 234.347 0.909 20 0 BCADLP C[NH+]1CC[C@@H]2CC[N@@H+](CCn3cccn3)[C@H]2C1 ZINC000373135887 173129909 /nfs/dbraw/zinc/12/99/09/173129909.db2.gz BIQSXRHXFMJHRB-OLZOCXBDSA-N 2 2 234.347 0.909 20 0 BCADLP C[N@@H+]1CC[C@@H]2CC[NH+](CCOCCO)[C@@H]2C1 ZINC000370532533 173131797 /nfs/dbraw/zinc/13/17/97/173131797.db2.gz BBKJSAVPYOIXJH-VXGBXAGGSA-N 2 2 228.336 0.021 20 0 BCADLP C[N@H+]1CC[C@@H]2CC[NH+](CCOCCO)[C@@H]2C1 ZINC000370532533 173131799 /nfs/dbraw/zinc/13/17/99/173131799.db2.gz BBKJSAVPYOIXJH-VXGBXAGGSA-N 2 2 228.336 0.021 20 0 BCADLP C[NH+]1CC[C@@H]2CC[N@H+](CCOCCO)[C@@H]2C1 ZINC000370532533 173131801 /nfs/dbraw/zinc/13/18/01/173131801.db2.gz BBKJSAVPYOIXJH-VXGBXAGGSA-N 2 2 228.336 0.021 20 0 BCADLP C[NH+]1CC[C@@H]2CC[N@@H+](CCOCCO)[C@@H]2C1 ZINC000370532533 173131803 /nfs/dbraw/zinc/13/18/03/173131803.db2.gz BBKJSAVPYOIXJH-VXGBXAGGSA-N 2 2 228.336 0.021 20 0 BCADLP C[N@@H+]1CC[C@@]2(CCN(Cc3[nH]cc[nH+]3)C2)C1 ZINC000367848824 173141986 /nfs/dbraw/zinc/14/19/86/173141986.db2.gz VHYHYZBNKYJUAF-GFCCVEGCSA-N 2 2 220.320 0.937 20 0 BCADLP C[N@H+]1CC[C@@]2(CCN(Cc3[nH]cc[nH+]3)C2)C1 ZINC000367848824 173141988 /nfs/dbraw/zinc/14/19/88/173141988.db2.gz VHYHYZBNKYJUAF-GFCCVEGCSA-N 2 2 220.320 0.937 20 0 BCADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc[nH]n3)C2)C1 ZINC000292890024 173142069 /nfs/dbraw/zinc/14/20/69/173142069.db2.gz YSFYTGSYNFTFDP-GFCCVEGCSA-N 2 2 220.320 0.937 20 0 BCADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc[nH]n3)C2)C1 ZINC000292890024 173142071 /nfs/dbraw/zinc/14/20/71/173142071.db2.gz YSFYTGSYNFTFDP-GFCCVEGCSA-N 2 2 220.320 0.937 20 0 BCADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc[nH]n3)C2)C1 ZINC000292890024 173142075 /nfs/dbraw/zinc/14/20/75/173142075.db2.gz YSFYTGSYNFTFDP-GFCCVEGCSA-N 2 2 220.320 0.937 20 0 BCADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc[nH]n3)C2)C1 ZINC000292890024 173142076 /nfs/dbraw/zinc/14/20/76/173142076.db2.gz YSFYTGSYNFTFDP-GFCCVEGCSA-N 2 2 220.320 0.937 20 0 BCADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000042545987 173152463 /nfs/dbraw/zinc/15/24/63/173152463.db2.gz DTNHPQOQMIJBSM-LBPRGKRZSA-N 2 2 233.315 0.579 20 0 BCADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000042545987 173152465 /nfs/dbraw/zinc/15/24/65/173152465.db2.gz DTNHPQOQMIJBSM-LBPRGKRZSA-N 2 2 233.315 0.579 20 0 BCADLP Cn1cnc(C[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000368613218 173154319 /nfs/dbraw/zinc/15/43/19/173154319.db2.gz JHYAWDZZPJQFRB-SRVKXCTJSA-N 2 2 249.362 0.778 20 0 BCADLP Cn1cnc(C[NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000368613218 173154320 /nfs/dbraw/zinc/15/43/20/173154320.db2.gz JHYAWDZZPJQFRB-SRVKXCTJSA-N 2 2 249.362 0.778 20 0 BCADLP C[N@@H+]1CC[C@H]2CCN(CCn3cc[nH+]c3)C[C@H]21 ZINC000378462074 173159847 /nfs/dbraw/zinc/15/98/47/173159847.db2.gz XVXPIJABTVLEDD-QWHCGFSZSA-N 2 2 234.347 0.909 20 0 BCADLP C[N@H+]1CC[C@H]2CCN(CCn3cc[nH+]c3)C[C@H]21 ZINC000378462074 173159849 /nfs/dbraw/zinc/15/98/49/173159849.db2.gz XVXPIJABTVLEDD-QWHCGFSZSA-N 2 2 234.347 0.909 20 0 BCADLP Cn1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)nn1 ZINC000336784194 173162034 /nfs/dbraw/zinc/16/20/34/173162034.db2.gz ZHQANGACUFLMPS-YPMHNXCESA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)nn1 ZINC000336784194 173162035 /nfs/dbraw/zinc/16/20/35/173162035.db2.gz ZHQANGACUFLMPS-YPMHNXCESA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)nn1 ZINC000336784194 173162038 /nfs/dbraw/zinc/16/20/38/173162038.db2.gz ZHQANGACUFLMPS-YPMHNXCESA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)nn1 ZINC000336784194 173162040 /nfs/dbraw/zinc/16/20/40/173162040.db2.gz ZHQANGACUFLMPS-YPMHNXCESA-N 2 2 249.362 0.731 20 0 BCADLP C[N@H+]1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC000279213765 173198785 /nfs/dbraw/zinc/19/87/85/173198785.db2.gz OGHPSUMGPJDVCC-TXEJJXNPSA-N 2 2 248.330 0.293 20 0 BCADLP C[N@@H+]1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC000279213765 173198786 /nfs/dbraw/zinc/19/87/86/173198786.db2.gz OGHPSUMGPJDVCC-TXEJJXNPSA-N 2 2 248.330 0.293 20 0 BCADLP CNC(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373115901 173273639 /nfs/dbraw/zinc/27/36/39/173273639.db2.gz PJYOYYKFZCWHPZ-JTQLQIEISA-N 2 2 236.319 0.346 20 0 BCADLP CNC(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373115901 173273640 /nfs/dbraw/zinc/27/36/40/173273640.db2.gz PJYOYYKFZCWHPZ-JTQLQIEISA-N 2 2 236.319 0.346 20 0 BCADLP CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364232084 173292038 /nfs/dbraw/zinc/29/20/38/173292038.db2.gz UUXKKCUMKMPODN-SNVBAGLBSA-N 2 2 240.351 0.084 20 0 BCADLP CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364232084 173292039 /nfs/dbraw/zinc/29/20/39/173292039.db2.gz UUXKKCUMKMPODN-SNVBAGLBSA-N 2 2 240.351 0.084 20 0 BCADLP CNC(=O)[C@@]1(C)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000280711083 173300356 /nfs/dbraw/zinc/30/03/56/173300356.db2.gz HNONAMDJABWZOU-LBPRGKRZSA-N 2 2 236.319 0.341 20 0 BCADLP CNC(=O)[C@@]1(C)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000280711083 173300357 /nfs/dbraw/zinc/30/03/57/173300357.db2.gz HNONAMDJABWZOU-LBPRGKRZSA-N 2 2 236.319 0.341 20 0 BCADLP CNC(=O)[C@H]([NH2+]CCn1cc[nH+]c1)C(C)C ZINC000309972633 173305289 /nfs/dbraw/zinc/30/52/89/173305289.db2.gz QGGSCJCETIRTCR-SNVBAGLBSA-N 2 2 224.308 0.243 20 0 BCADLP CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000336752635 173307810 /nfs/dbraw/zinc/30/78/10/173307810.db2.gz DNQKKBFBGNZTOS-VHSXEESVSA-N 2 2 222.292 0.414 20 0 BCADLP C[NH2+]C1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC000037469307 173323936 /nfs/dbraw/zinc/32/39/36/173323936.db2.gz MPWUDQSLMKQXLC-VIFPVBQESA-N 2 2 213.325 0.147 20 0 BCADLP C[NH2+]CCC(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000375976614 173341582 /nfs/dbraw/zinc/34/15/82/173341582.db2.gz VRCLYSLPAXKYJA-JTQLQIEISA-N 2 2 236.319 0.232 20 0 BCADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)NC1CCCC1 ZINC000124895148 173346230 /nfs/dbraw/zinc/34/62/30/173346230.db2.gz PKOALUXVLVGRDU-NSHDSACASA-N 2 2 241.379 0.975 20 0 BCADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)NC1CCCC1 ZINC000124895148 173346231 /nfs/dbraw/zinc/34/62/31/173346231.db2.gz PKOALUXVLVGRDU-NSHDSACASA-N 2 2 241.379 0.975 20 0 BCADLP C[NH2+]CCC[N@H+](C)CC(=O)N1CCC(C)CC1 ZINC000124949089 173346332 /nfs/dbraw/zinc/34/63/32/173346332.db2.gz BZRYGCZIYXOOQI-UHFFFAOYSA-N 2 2 241.379 0.786 20 0 BCADLP C[NH2+]CCC[N@@H+](C)CC(=O)N1CCC(C)CC1 ZINC000124949089 173346334 /nfs/dbraw/zinc/34/63/34/173346334.db2.gz BZRYGCZIYXOOQI-UHFFFAOYSA-N 2 2 241.379 0.786 20 0 BCADLP C[NH2+]C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC000122578813 173367767 /nfs/dbraw/zinc/36/77/67/173367767.db2.gz SSVYPASQPVHYEJ-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP C[NH2+]C[C@@H]1CCCN1Cc1[nH+]ccn1C ZINC000227728431 173369644 /nfs/dbraw/zinc/36/96/44/173369644.db2.gz GGNVAXMWLICPLQ-JTQLQIEISA-N 2 2 208.309 0.604 20 0 BCADLP C[NH2+]C[C@H](C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000269234661 173374631 /nfs/dbraw/zinc/37/46/31/173374631.db2.gz MCCZVZOXHDLIIY-JTQLQIEISA-N 2 2 246.314 0.806 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NCC2CC2)C1 ZINC000040598591 173378408 /nfs/dbraw/zinc/37/84/08/173378408.db2.gz JTNJVCVYWGVLPU-GFCCVEGCSA-N 2 2 239.363 0.444 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000040598591 173378409 /nfs/dbraw/zinc/37/84/09/173378409.db2.gz JTNJVCVYWGVLPU-GFCCVEGCSA-N 2 2 239.363 0.444 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335402083 487626695 /nfs/dbraw/zinc/62/66/95/487626695.db2.gz ZUGFBQFCYHNGEL-GFCCVEGCSA-N 2 2 225.336 0.150 20 0 BCADLP CN(C)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335402083 487626699 /nfs/dbraw/zinc/62/66/99/487626699.db2.gz ZUGFBQFCYHNGEL-GFCCVEGCSA-N 2 2 225.336 0.150 20 0 BCADLP COC(=O)c1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c[nH]1 ZINC000359469805 173855041 /nfs/dbraw/zinc/85/50/41/173855041.db2.gz BNSZRFHVGFTJMO-GHMZBOCLSA-N 2 2 249.314 0.453 20 0 BCADLP COCCC[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000361346496 174263911 /nfs/dbraw/zinc/26/39/11/174263911.db2.gz OWRPBTKAQUVPKB-QWHCGFSZSA-N 2 2 243.395 0.637 20 0 BCADLP COCCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000361346496 174263913 /nfs/dbraw/zinc/26/39/13/174263913.db2.gz OWRPBTKAQUVPKB-QWHCGFSZSA-N 2 2 243.395 0.637 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@@H](C)C(C)(C)OC ZINC000300971792 174277434 /nfs/dbraw/zinc/27/74/34/174277434.db2.gz JILMVVQHSJJSQH-NSHDSACASA-N 2 2 232.368 0.968 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@@H](C)C(C)(C)OC ZINC000300971792 174277436 /nfs/dbraw/zinc/27/74/36/174277436.db2.gz JILMVVQHSJJSQH-NSHDSACASA-N 2 2 232.368 0.968 20 0 BCADLP COCC[N@H+](C)CC[NH2+]C[C@@H]1CCC=CO1 ZINC000061377593 174278100 /nfs/dbraw/zinc/27/81/00/174278100.db2.gz UTDMMJFOUKEHIP-LBPRGKRZSA-N 2 2 228.336 0.847 20 0 BCADLP COCC[N@@H+](C)CC[NH2+]C[C@@H]1CCC=CO1 ZINC000061377593 174278101 /nfs/dbraw/zinc/27/81/01/174278101.db2.gz UTDMMJFOUKEHIP-LBPRGKRZSA-N 2 2 228.336 0.847 20 0 BCADLP COCC[NH+](CCOC)C[C@@H]([NH3+])CC(C)C ZINC000042442998 174295877 /nfs/dbraw/zinc/29/58/77/174295877.db2.gz FSVJSFMVOWYMGH-LBPRGKRZSA-N 2 2 232.368 0.955 20 0 BCADLP COCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129153971 174310936 /nfs/dbraw/zinc/31/09/36/174310936.db2.gz VEHDHRZXMWVNMV-GFCCVEGCSA-N 2 2 228.336 0.287 20 0 BCADLP COCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129153971 174310937 /nfs/dbraw/zinc/31/09/37/174310937.db2.gz VEHDHRZXMWVNMV-GFCCVEGCSA-N 2 2 228.336 0.287 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCC2(O)CCC2)C1 ZINC000341333818 174312698 /nfs/dbraw/zinc/31/26/98/174312698.db2.gz FLEUYFLFUKJREW-GFCCVEGCSA-N 2 2 242.363 0.602 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCC2(O)CCC2)C1 ZINC000341333818 174312699 /nfs/dbraw/zinc/31/26/99/174312699.db2.gz FLEUYFLFUKJREW-GFCCVEGCSA-N 2 2 242.363 0.602 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000328205533 174314889 /nfs/dbraw/zinc/31/48/89/174314889.db2.gz TYGFNQALNSQVKN-STQMWFEESA-N 2 2 242.363 0.723 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000328205533 174314891 /nfs/dbraw/zinc/31/48/91/174314891.db2.gz TYGFNQALNSQVKN-STQMWFEESA-N 2 2 242.363 0.723 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCCCCO)C1 ZINC000336776575 174315331 /nfs/dbraw/zinc/31/53/31/174315331.db2.gz GACRFYYQVZCGSS-LBPRGKRZSA-N 2 2 230.352 0.459 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+]CCCCCO)C1 ZINC000336776575 174315332 /nfs/dbraw/zinc/31/53/32/174315332.db2.gz GACRFYYQVZCGSS-LBPRGKRZSA-N 2 2 230.352 0.459 20 0 BCADLP COCC[NH2+]CC[NH2+]Cc1cccnc1C ZINC000161506805 174334038 /nfs/dbraw/zinc/33/40/38/174334038.db2.gz VKGNBWDUGJPNFO-UHFFFAOYSA-N 2 2 223.320 0.716 20 0 BCADLP COCCO[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000189709691 174365102 /nfs/dbraw/zinc/36/51/02/174365102.db2.gz HLAFLYDVSKRPEQ-GFCCVEGCSA-N 2 2 239.319 0.620 20 0 BCADLP COCCO[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000189709691 174365103 /nfs/dbraw/zinc/36/51/03/174365103.db2.gz HLAFLYDVSKRPEQ-GFCCVEGCSA-N 2 2 239.319 0.620 20 0 BCADLP COCC[C@@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000082668957 174383593 /nfs/dbraw/zinc/38/35/93/174383593.db2.gz FIYAIIZSMNRWPI-NEPJUHHUSA-N 2 2 229.368 0.247 20 0 BCADLP COCC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000082668957 174383594 /nfs/dbraw/zinc/38/35/94/174383594.db2.gz FIYAIIZSMNRWPI-NEPJUHHUSA-N 2 2 229.368 0.247 20 0 BCADLP COCC[C@@H](CO)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000282321727 174389448 /nfs/dbraw/zinc/38/94/48/174389448.db2.gz TVKGLSZXDOTTGR-NSHDSACASA-N 2 2 249.314 0.821 20 0 BCADLP COC[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)C(C)C ZINC000126514065 174581712 /nfs/dbraw/zinc/58/17/12/174581712.db2.gz DOBPKTFVSROGHW-OLZOCXBDSA-N 2 2 243.395 0.493 20 0 BCADLP COC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C(C)C ZINC000126514065 174581713 /nfs/dbraw/zinc/58/17/13/174581713.db2.gz DOBPKTFVSROGHW-OLZOCXBDSA-N 2 2 243.395 0.493 20 0 BCADLP C[C@H]1C[NH2+]C[C@H]([NH2+]CCC(=O)N(C)C)C1 ZINC000401640261 487628752 /nfs/dbraw/zinc/62/87/52/487628752.db2.gz GXJPQWPYXWILKB-NXEZZACHSA-N 2 2 213.325 0.052 20 0 BCADLP COc1cc[nH+]cc1CNC(=O)C[NH+](C)C ZINC000294737276 175369544 /nfs/dbraw/zinc/36/95/44/175369544.db2.gz XYFVTHRLRRFQBT-UHFFFAOYSA-N 2 2 223.276 0.268 20 0 BCADLP C[C@@H]1CC(=O)NCC[N@@H+]1CCn1cc[nH+]c1 ZINC000363460110 176048894 /nfs/dbraw/zinc/04/88/94/176048894.db2.gz WXWNXDFVDNTLKV-SNVBAGLBSA-N 2 2 222.292 0.094 20 0 BCADLP C[C@@H]1CC(=O)NCC[N@H+]1CCn1cc[nH+]c1 ZINC000363460110 176048896 /nfs/dbraw/zinc/04/88/96/176048896.db2.gz WXWNXDFVDNTLKV-SNVBAGLBSA-N 2 2 222.292 0.094 20 0 BCADLP C[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000336233508 176066293 /nfs/dbraw/zinc/06/62/93/176066293.db2.gz WBUALQBENCFKQW-VOMCLLRMSA-N 2 2 239.363 0.809 20 0 BCADLP C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000336233508 176066296 /nfs/dbraw/zinc/06/62/96/176066296.db2.gz WBUALQBENCFKQW-VOMCLLRMSA-N 2 2 239.363 0.809 20 0 BCADLP C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CC([NH3+])C2)C1 ZINC000336233515 176092176 /nfs/dbraw/zinc/09/21/76/176092176.db2.gz YLWIYMRGIKMWRX-VOMCLLRMSA-N 2 2 239.363 0.666 20 0 BCADLP C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CC([NH3+])C2)C1 ZINC000336233515 176092177 /nfs/dbraw/zinc/09/21/77/176092177.db2.gz YLWIYMRGIKMWRX-VOMCLLRMSA-N 2 2 239.363 0.666 20 0 BCADLP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H]1O ZINC000336713270 176172402 /nfs/dbraw/zinc/17/24/02/176172402.db2.gz OLIOPFWASNMNSM-RAIGVLPGSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H]1O ZINC000336713270 176172403 /nfs/dbraw/zinc/17/24/03/176172403.db2.gz OLIOPFWASNMNSM-RAIGVLPGSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@H]1O ZINC000336713270 176172404 /nfs/dbraw/zinc/17/24/04/176172404.db2.gz OLIOPFWASNMNSM-RAIGVLPGSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@H]1O ZINC000336713270 176172405 /nfs/dbraw/zinc/17/24/05/176172405.db2.gz OLIOPFWASNMNSM-RAIGVLPGSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C[C@H]1n1cc[nH+]c1 ZINC000245684944 176180099 /nfs/dbraw/zinc/18/00/99/176180099.db2.gz UXTZODPMLDHHBO-IJLUTSLNSA-N 2 2 248.330 0.655 20 0 BCADLP C[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C[C@H]1n1cc[nH+]c1 ZINC000245684944 176180100 /nfs/dbraw/zinc/18/01/00/176180100.db2.gz UXTZODPMLDHHBO-IJLUTSLNSA-N 2 2 248.330 0.655 20 0 BCADLP C[C@@H]1CCNC(=O)[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000193599184 176184029 /nfs/dbraw/zinc/18/40/29/176184029.db2.gz JFXNHXHJENTHTF-MNOVXSKESA-N 2 2 236.319 0.387 20 0 BCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc[nH]n1 ZINC000122719459 176268635 /nfs/dbraw/zinc/26/86/35/176268635.db2.gz JOFQAORYJSVBSH-KOLCDFICSA-N 2 2 208.309 0.840 20 0 BCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc[nH]n1 ZINC000122719459 176268636 /nfs/dbraw/zinc/26/86/36/176268636.db2.gz JOFQAORYJSVBSH-KOLCDFICSA-N 2 2 208.309 0.840 20 0 BCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1([S@@](C)=O)CC1 ZINC000336775971 176269867 /nfs/dbraw/zinc/26/98/67/176269867.db2.gz DGKSTZAZWYJYIO-OHUAYANFSA-N 2 2 244.404 0.827 20 0 BCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1([S@@](C)=O)CC1 ZINC000336775971 176269868 /nfs/dbraw/zinc/26/98/68/176269868.db2.gz DGKSTZAZWYJYIO-OHUAYANFSA-N 2 2 244.404 0.827 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC1(O)CCOCC1 ZINC000353034776 176271782 /nfs/dbraw/zinc/27/17/82/176271782.db2.gz MTHDMWFIXASTND-NEPJUHHUSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC1(O)CCOCC1 ZINC000353034776 176271783 /nfs/dbraw/zinc/27/17/83/176271783.db2.gz MTHDMWFIXASTND-NEPJUHHUSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CCOCC1 ZINC000335605717 176272401 /nfs/dbraw/zinc/27/24/01/176272401.db2.gz FEVJBOVTMMQSLK-PWSUYJOCSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CCOCC1 ZINC000335605717 176272402 /nfs/dbraw/zinc/27/24/02/176272402.db2.gz FEVJBOVTMMQSLK-PWSUYJOCSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC(=O)NC(C)(C)C ZINC000358137406 176272837 /nfs/dbraw/zinc/27/28/37/176272837.db2.gz UUUJFPCWFDJCAF-MNOVXSKESA-N 2 2 241.379 0.831 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC(=O)NC(C)(C)C ZINC000358137406 176272840 /nfs/dbraw/zinc/27/28/40/176272840.db2.gz UUUJFPCWFDJCAF-MNOVXSKESA-N 2 2 241.379 0.831 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000360769831 176273368 /nfs/dbraw/zinc/27/33/68/176273368.db2.gz CJZCTHGIXATDTG-VOAKCMCISA-N 2 2 242.363 0.171 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000360769831 176273370 /nfs/dbraw/zinc/27/33/70/176273370.db2.gz CJZCTHGIXATDTG-VOAKCMCISA-N 2 2 242.363 0.171 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@](C)(O)C1CC1 ZINC000336764633 176273557 /nfs/dbraw/zinc/27/35/57/176273557.db2.gz QICWIBUPLXUYNM-ADEWGFFLSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@](C)(O)C1CC1 ZINC000336764633 176273559 /nfs/dbraw/zinc/27/35/59/176273559.db2.gz QICWIBUPLXUYNM-ADEWGFFLSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CC[C@H](CO)O1 ZINC000340419540 176273673 /nfs/dbraw/zinc/27/36/73/176273673.db2.gz KAINLBGUAWVSGE-KKOKHZNYSA-N 2 2 228.336 0.066 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CC[C@H](CO)O1 ZINC000340419540 176273674 /nfs/dbraw/zinc/27/36/74/176273674.db2.gz KAINLBGUAWVSGE-KKOKHZNYSA-N 2 2 228.336 0.066 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000358388142 176273970 /nfs/dbraw/zinc/27/39/70/176273970.db2.gz BTZZSYSIRLAEAZ-FOGDFJRCSA-N 2 2 237.347 0.289 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000358388142 176273972 /nfs/dbraw/zinc/27/39/72/176273972.db2.gz BTZZSYSIRLAEAZ-FOGDFJRCSA-N 2 2 237.347 0.289 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000309120696 176274678 /nfs/dbraw/zinc/27/46/78/176274678.db2.gz NPTPKMVLYHGDLP-VPOLOUISSA-N 2 2 212.337 0.686 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000309120696 176274679 /nfs/dbraw/zinc/27/46/79/176274679.db2.gz NPTPKMVLYHGDLP-VPOLOUISSA-N 2 2 212.337 0.686 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H](CO)C1CCOCC1 ZINC000360797456 176276983 /nfs/dbraw/zinc/27/69/83/176276983.db2.gz BHVDHFOISGCUNL-RTXFEEFZSA-N 2 2 242.363 0.314 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H](CO)C1CCOCC1 ZINC000360797456 176276984 /nfs/dbraw/zinc/27/69/84/176276984.db2.gz BHVDHFOISGCUNL-RTXFEEFZSA-N 2 2 242.363 0.314 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1=CCCOC1 ZINC000309098958 176277245 /nfs/dbraw/zinc/27/72/45/176277245.db2.gz DXGZZYFEVUTGFI-ZYHUDNBSSA-N 2 2 210.321 0.873 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1=CCCOC1 ZINC000309098958 176277247 /nfs/dbraw/zinc/27/72/47/176277247.db2.gz DXGZZYFEVUTGFI-ZYHUDNBSSA-N 2 2 210.321 0.873 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1N[C@@H]1CC[NH+](C2CC2)C1 ZINC000336781705 176277610 /nfs/dbraw/zinc/27/76/10/176277610.db2.gz VIQPUWHWOCJWMU-NQBHXWOUSA-N 2 2 223.364 0.763 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@@H]1CC[NH+](C2CC2)C1 ZINC000336781705 176277611 /nfs/dbraw/zinc/27/76/11/176277611.db2.gz VIQPUWHWOCJWMU-NQBHXWOUSA-N 2 2 223.364 0.763 20 0 BCADLP C[C@@H]1C[NH+](C)C[C@H]1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336781705 176277613 /nfs/dbraw/zinc/27/76/13/176277613.db2.gz VIQPUWHWOCJWMU-NQBHXWOUSA-N 2 2 223.364 0.763 20 0 BCADLP C[C@@H]1C[NH+](C)C[C@H]1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000336781705 176277614 /nfs/dbraw/zinc/27/76/14/176277614.db2.gz VIQPUWHWOCJWMU-NQBHXWOUSA-N 2 2 223.364 0.763 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000309120685 176277704 /nfs/dbraw/zinc/27/77/04/176277704.db2.gz NPLMPBSKIFEULI-ADEWGFFLSA-N 2 2 212.337 0.545 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000309120685 176277706 /nfs/dbraw/zinc/27/77/06/176277706.db2.gz NPLMPBSKIFEULI-ADEWGFFLSA-N 2 2 212.337 0.545 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCC(O)CC1 ZINC000309105271 176277799 /nfs/dbraw/zinc/27/77/99/176277799.db2.gz HQOWUKLADLOCDL-HBIQZDMRSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCC(O)CC1 ZINC000309105271 176277800 /nfs/dbraw/zinc/27/78/00/176277800.db2.gz HQOWUKLADLOCDL-HBIQZDMRSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1nncn1C ZINC000038007811 176280693 /nfs/dbraw/zinc/28/06/93/176280693.db2.gz WDKAFJDLGVGCEK-GMTAPVOTSA-N 2 2 237.351 0.633 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1nncn1C ZINC000038007811 176280695 /nfs/dbraw/zinc/28/06/95/176280695.db2.gz WDKAFJDLGVGCEK-GMTAPVOTSA-N 2 2 237.351 0.633 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000358078001 176281946 /nfs/dbraw/zinc/28/19/46/176281946.db2.gz CCJXVFSDRUXDBP-CKYFFXLPSA-N 2 2 237.347 0.289 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000358078001 176281947 /nfs/dbraw/zinc/28/19/47/176281947.db2.gz CCJXVFSDRUXDBP-CKYFFXLPSA-N 2 2 237.347 0.289 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@]1(O)CCOC1 ZINC000340042478 176282222 /nfs/dbraw/zinc/28/22/22/176282222.db2.gz DXPDIAYQKYVKDB-RTXFEEFZSA-N 2 2 240.347 0.210 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@]1(O)CCOC1 ZINC000340042478 176282223 /nfs/dbraw/zinc/28/22/23/176282223.db2.gz DXPDIAYQKYVKDB-RTXFEEFZSA-N 2 2 240.347 0.210 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000358078002 176282525 /nfs/dbraw/zinc/28/25/25/176282525.db2.gz CCJXVFSDRUXDBP-FOGDFJRCSA-N 2 2 237.347 0.289 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000358078002 176282527 /nfs/dbraw/zinc/28/25/27/176282527.db2.gz CCJXVFSDRUXDBP-FOGDFJRCSA-N 2 2 237.347 0.289 20 0 BCADLP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)CC[C@@H]1[NH3+] ZINC000086886665 176283900 /nfs/dbraw/zinc/28/39/00/176283900.db2.gz MLJKJGFCCZGGRS-ZJUUUORDSA-N 2 2 227.352 0.570 20 0 BCADLP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)CC[C@@H]1[NH3+] ZINC000086886665 176283901 /nfs/dbraw/zinc/28/39/01/176283901.db2.gz MLJKJGFCCZGGRS-ZJUUUORDSA-N 2 2 227.352 0.570 20 0 BCADLP C[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1[NH3+] ZINC000300048431 176295278 /nfs/dbraw/zinc/29/52/78/176295278.db2.gz JTGDJMIRGWMQBV-MWLCHTKSSA-N 2 2 208.309 0.242 20 0 BCADLP C[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1[NH3+] ZINC000300048431 176295279 /nfs/dbraw/zinc/29/52/79/176295279.db2.gz JTGDJMIRGWMQBV-MWLCHTKSSA-N 2 2 208.309 0.242 20 0 BCADLP C[C@@H]1CN(Cc2[nH+]ccn2C)C[C@@H](C)[NH2+]1 ZINC000069629371 176311753 /nfs/dbraw/zinc/31/17/53/176311753.db2.gz NXGNQEMWBPINPA-NXEZZACHSA-N 2 2 208.309 0.602 20 0 BCADLP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000334156189 176326061 /nfs/dbraw/zinc/32/60/61/176326061.db2.gz XRNQTIZRZRDEGI-BDAKNGLRSA-N 2 2 247.289 0.052 20 0 BCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000365335149 176327660 /nfs/dbraw/zinc/32/76/60/176327660.db2.gz TZLLVCUSMKCRBE-HLTSFMKQSA-N 2 2 247.289 0.098 20 0 BCADLP C[C@@H]1COCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336687602 176332759 /nfs/dbraw/zinc/33/27/59/176332759.db2.gz GNXLAQJPSNTOPU-WCQYABFASA-N 2 2 242.363 0.410 20 0 BCADLP C[C@@H]1COCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336687602 176332760 /nfs/dbraw/zinc/33/27/60/176332760.db2.gz GNXLAQJPSNTOPU-WCQYABFASA-N 2 2 242.363 0.410 20 0 BCADLP C[C@@H]1COCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336687602 176332761 /nfs/dbraw/zinc/33/27/61/176332761.db2.gz GNXLAQJPSNTOPU-WCQYABFASA-N 2 2 242.363 0.410 20 0 BCADLP C[C@@H]1COCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336687602 176332762 /nfs/dbraw/zinc/33/27/62/176332762.db2.gz GNXLAQJPSNTOPU-WCQYABFASA-N 2 2 242.363 0.410 20 0 BCADLP C[C@@H]1COCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000192128783 176344544 /nfs/dbraw/zinc/34/45/44/176344544.db2.gz KEWZOBVBEUPYSV-GHMZBOCLSA-N 2 2 209.293 0.898 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(C)C2)C[N@@H+]1C1CC1 ZINC000336669705 176379270 /nfs/dbraw/zinc/37/92/70/176379270.db2.gz APEPACRCMPSPCN-MXWKQRLJSA-N 2 2 237.347 0.432 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(C)C2)C[N@H+]1C1CC1 ZINC000336669705 176379271 /nfs/dbraw/zinc/37/92/71/176379271.db2.gz APEPACRCMPSPCN-MXWKQRLJSA-N 2 2 237.347 0.432 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)CC[N@@H+]1C ZINC000361965794 176379324 /nfs/dbraw/zinc/37/93/24/176379324.db2.gz DUVXTGJMXXNJHP-GRYCIOLGSA-N 2 2 239.363 0.680 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)CC[N@H+]1C ZINC000361965794 176379326 /nfs/dbraw/zinc/37/93/26/176379326.db2.gz DUVXTGJMXXNJHP-GRYCIOLGSA-N 2 2 239.363 0.680 20 0 BCADLP C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000309834255 176481723 /nfs/dbraw/zinc/48/17/23/176481723.db2.gz ZPVRRABXMGMMRU-HBNTYKKESA-N 2 2 221.304 0.965 20 0 BCADLP C[C@H]1CC(=O)NCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000363458765 177062231 /nfs/dbraw/zinc/06/22/31/177062231.db2.gz AZEJLTZQAOYNFD-LBPRGKRZSA-N 2 2 239.363 0.683 20 0 BCADLP C[C@H]1CC(=O)NCC[N@H+]1CCC[NH+]1CCCC1 ZINC000363458765 177062233 /nfs/dbraw/zinc/06/22/33/177062233.db2.gz AZEJLTZQAOYNFD-LBPRGKRZSA-N 2 2 239.363 0.683 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000336731316 177097175 /nfs/dbraw/zinc/09/71/75/177097175.db2.gz FEGCNKRAUHPMPP-WDEREUQCSA-N 2 2 227.352 0.572 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000336731316 177097177 /nfs/dbraw/zinc/09/71/77/177097177.db2.gz FEGCNKRAUHPMPP-WDEREUQCSA-N 2 2 227.352 0.572 20 0 BCADLP C[C@H]1CCC[N@H+](CCN2CCOCC2)[C@H]1C[NH3+] ZINC000251571190 177097489 /nfs/dbraw/zinc/09/74/89/177097489.db2.gz ARGUKTFCNCZSHI-STQMWFEESA-N 2 2 241.379 0.378 20 0 BCADLP C[C@H]1CCC[N@@H+](CCN2CCOCC2)[C@H]1C[NH3+] ZINC000251571190 177097490 /nfs/dbraw/zinc/09/74/90/177097490.db2.gz ARGUKTFCNCZSHI-STQMWFEESA-N 2 2 241.379 0.378 20 0 BCADLP C[C@H]1CCCN(CC[NH+]2CCOCC2)[C@H]1C[NH3+] ZINC000251571190 177097491 /nfs/dbraw/zinc/09/74/91/177097491.db2.gz ARGUKTFCNCZSHI-STQMWFEESA-N 2 2 241.379 0.378 20 0 BCADLP C[C@H]1CCC[N@H+](CCn2cc[nH+]c2)[C@@H]1CO ZINC000305694100 177099762 /nfs/dbraw/zinc/09/97/62/177099762.db2.gz STSFTIBUYZZOLG-NWDGAFQWSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)[C@@H]1CO ZINC000305694100 177099764 /nfs/dbraw/zinc/09/97/64/177099764.db2.gz STSFTIBUYZZOLG-NWDGAFQWSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1[NH+](C)C ZINC000284193321 177210597 /nfs/dbraw/zinc/21/05/97/177210597.db2.gz YZOXLJSAAIEOIY-XVHVLHHCSA-N 2 2 248.330 0.831 20 0 BCADLP C[C@H](C[S@](C)=O)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000308888059 177234657 /nfs/dbraw/zinc/23/46/57/177234657.db2.gz WLQRKMNZRVXMCV-SQYUCLKFSA-N 2 2 232.393 0.683 20 0 BCADLP C[C@H](C[S@](C)=O)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000308888059 177234659 /nfs/dbraw/zinc/23/46/59/177234659.db2.gz WLQRKMNZRVXMCV-SQYUCLKFSA-N 2 2 232.393 0.683 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCn1cccn1 ZINC000336748300 177235594 /nfs/dbraw/zinc/23/55/94/177235594.db2.gz DEONHOUQHIARIZ-QWRGUYRKSA-N 2 2 208.309 0.423 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCn1cccn1 ZINC000336748300 177235596 /nfs/dbraw/zinc/23/55/96/177235596.db2.gz DEONHOUQHIARIZ-QWRGUYRKSA-N 2 2 208.309 0.423 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336740542 177236206 /nfs/dbraw/zinc/23/62/06/177236206.db2.gz MJAIEGZXZVVCLB-TUAOUCFPSA-N 2 2 222.336 0.811 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336740542 177236207 /nfs/dbraw/zinc/23/62/07/177236207.db2.gz MJAIEGZXZVVCLB-TUAOUCFPSA-N 2 2 222.336 0.811 20 0 BCADLP C[C@H](CCCO)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336658342 177236216 /nfs/dbraw/zinc/23/62/16/177236216.db2.gz QDWILYOYIVCKMX-AXFHLTTASA-N 2 2 200.326 0.687 20 0 BCADLP C[C@H](CCCO)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336658342 177236217 /nfs/dbraw/zinc/23/62/17/177236217.db2.gz QDWILYOYIVCKMX-AXFHLTTASA-N 2 2 200.326 0.687 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(CO)CCC1 ZINC000309163095 177237357 /nfs/dbraw/zinc/23/73/57/177237357.db2.gz ZWDCYUJJTVXCQD-WDEREUQCSA-N 2 2 212.337 0.689 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(CO)CCC1 ZINC000309163095 177237358 /nfs/dbraw/zinc/23/73/58/177237358.db2.gz ZWDCYUJJTVXCQD-WDEREUQCSA-N 2 2 212.337 0.689 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000358077500 177241913 /nfs/dbraw/zinc/24/19/13/177241913.db2.gz BRGQAMPNKJOZQW-DMDPSCGWSA-N 2 2 249.362 0.739 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000358077500 177241914 /nfs/dbraw/zinc/24/19/14/177241914.db2.gz BRGQAMPNKJOZQW-DMDPSCGWSA-N 2 2 249.362 0.739 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1c[nH+]cn1C ZINC000336436988 177268777 /nfs/dbraw/zinc/26/87/77/177268777.db2.gz GFHMYWDYIHVBJF-WDEREUQCSA-N 2 2 222.336 0.945 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1c[nH+]cn1C ZINC000336436988 177268779 /nfs/dbraw/zinc/26/87/79/177268779.db2.gz GFHMYWDYIHVBJF-WDEREUQCSA-N 2 2 222.336 0.945 20 0 BCADLP C[C@H]1COCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336687604 177288508 /nfs/dbraw/zinc/28/85/08/177288508.db2.gz GNXLAQJPSNTOPU-YPMHNXCESA-N 2 2 242.363 0.410 20 0 BCADLP C[C@H]1COCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336687604 177288510 /nfs/dbraw/zinc/28/85/10/177288510.db2.gz GNXLAQJPSNTOPU-YPMHNXCESA-N 2 2 242.363 0.410 20 0 BCADLP C[C@H]1COCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000336687604 177288512 /nfs/dbraw/zinc/28/85/12/177288512.db2.gz GNXLAQJPSNTOPU-YPMHNXCESA-N 2 2 242.363 0.410 20 0 BCADLP C[C@H]1COCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336687604 177288513 /nfs/dbraw/zinc/28/85/13/177288513.db2.gz GNXLAQJPSNTOPU-YPMHNXCESA-N 2 2 242.363 0.410 20 0 BCADLP C[C@H]1C[C@@H]([NH+](C)CCn2cncn2)CC[N@@H+]1C ZINC000336688278 177326982 /nfs/dbraw/zinc/32/69/82/177326982.db2.gz GZXZMSYRHMRLCB-RYUDHWBXSA-N 2 2 237.351 0.693 20 0 BCADLP C[C@H]1C[C@@H]([NH+](C)CCn2cncn2)CC[N@H+]1C ZINC000336688278 177326984 /nfs/dbraw/zinc/32/69/84/177326984.db2.gz GZXZMSYRHMRLCB-RYUDHWBXSA-N 2 2 237.351 0.693 20 0 BCADLP C[C@H]1C[C@@H]([N@H+](C)CCn2cncn2)CC[NH+]1C ZINC000336688278 177326985 /nfs/dbraw/zinc/32/69/85/177326985.db2.gz GZXZMSYRHMRLCB-RYUDHWBXSA-N 2 2 237.351 0.693 20 0 BCADLP C[C@H]1C[C@@H]([N@@H+](C)CCn2cncn2)CC[NH+]1C ZINC000336688278 177326986 /nfs/dbraw/zinc/32/69/86/177326986.db2.gz GZXZMSYRHMRLCB-RYUDHWBXSA-N 2 2 237.351 0.693 20 0 BCADLP C[C@H]1C[C@H]([NH+](C)CC(=O)NC2CC2)CC[N@@H+]1C ZINC000123796662 177364189 /nfs/dbraw/zinc/36/41/89/177364189.db2.gz GFFUGUXFLZFVIA-CMPLNLGQSA-N 2 2 239.363 0.680 20 0 BCADLP C[C@H]1C[C@H]([NH+](C)CC(=O)NC2CC2)CC[N@H+]1C ZINC000123796662 177364191 /nfs/dbraw/zinc/36/41/91/177364191.db2.gz GFFUGUXFLZFVIA-CMPLNLGQSA-N 2 2 239.363 0.680 20 0 BCADLP C[C@H]1C[C@H]([N@H+](C)CC(=O)NC2CC2)CC[NH+]1C ZINC000123796662 177364193 /nfs/dbraw/zinc/36/41/93/177364193.db2.gz GFFUGUXFLZFVIA-CMPLNLGQSA-N 2 2 239.363 0.680 20 0 BCADLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NC2CC2)CC[NH+]1C ZINC000123796662 177364195 /nfs/dbraw/zinc/36/41/95/177364195.db2.gz GFFUGUXFLZFVIA-CMPLNLGQSA-N 2 2 239.363 0.680 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cnnn1C ZINC000352598981 177371555 /nfs/dbraw/zinc/37/15/55/177371555.db2.gz WRHUFCFWCITYIO-SCVCMEIPSA-N 2 2 237.351 0.633 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cnnn1C ZINC000352598981 177371557 /nfs/dbraw/zinc/37/15/57/177371557.db2.gz WRHUFCFWCITYIO-SCVCMEIPSA-N 2 2 237.351 0.633 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000229588509 177395269 /nfs/dbraw/zinc/39/52/69/177395269.db2.gz SGAIURSUKBYUGT-MNOVXSKESA-N 2 2 236.319 0.530 20 0 BCADLP C[C@]1(C(=O)NCCn2cc[nH+]c2)CCC[NH2+]C1 ZINC000062859664 177454983 /nfs/dbraw/zinc/45/49/83/177454983.db2.gz GQTVIFWMEGVEGI-LBPRGKRZSA-N 2 2 236.319 0.389 20 0 BCADLP CCCC(=O)NC1CC[NH+](CC[NH3+])CC1 ZINC000082491384 487641698 /nfs/dbraw/zinc/64/16/98/487641698.db2.gz SACZURZTFCZGGP-UHFFFAOYSA-N 2 2 213.325 0.326 20 0 BCADLP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)n(C)n1 ZINC000400392622 225151776 /nfs/dbraw/zinc/15/17/76/225151776.db2.gz JGCAOWFOCWWCQA-JQWIXIFHSA-N 2 2 222.336 0.959 20 0 BCADLP CN(CC[NH+](C)C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493117810 226130824 /nfs/dbraw/zinc/13/08/24/226130824.db2.gz DIZLYZIRENYPOD-SNAWJCMRSA-N 2 2 222.292 0.443 20 0 BCADLP C[C@@H]1[C@H](C)N(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@H+]1C ZINC000493364568 226196448 /nfs/dbraw/zinc/19/64/48/226196448.db2.gz GSBPOQFHDDMRME-KWKBKKAHSA-N 2 2 248.330 0.974 20 0 BCADLP C[C@@H]1[C@H](C)N(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@@H+]1C ZINC000493364568 226196452 /nfs/dbraw/zinc/19/64/52/226196452.db2.gz GSBPOQFHDDMRME-KWKBKKAHSA-N 2 2 248.330 0.974 20 0 BCADLP C[C@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)C[NH+](C)C ZINC000493535841 226241239 /nfs/dbraw/zinc/24/12/39/226241239.db2.gz YZZYAHVLBYQQLG-ORAHPGNNSA-N 2 2 236.319 0.737 20 0 BCADLP C[NH+](C)CC(C)(C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493655659 226247793 /nfs/dbraw/zinc/24/77/93/226247793.db2.gz GTHGLHUCPQLCNT-AATRIKPKSA-N 2 2 236.319 0.879 20 0 BCADLP Cn1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cn1 ZINC000494424345 226265083 /nfs/dbraw/zinc/26/50/83/226265083.db2.gz IBNMJKGSENPGKV-NSHDSACASA-N 2 2 231.303 0.721 20 0 BCADLP Cn1cc([C@@H](CO)[NH2+]CCCn2cc[nH+]c2)cn1 ZINC000494810236 226270073 /nfs/dbraw/zinc/27/00/73/226270073.db2.gz RBQVRSCKVHVZEP-GFCCVEGCSA-N 2 2 249.318 0.330 20 0 BCADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000494913021 226271403 /nfs/dbraw/zinc/27/14/03/226271403.db2.gz VXIILEPHTNMHHF-SNVBAGLBSA-N 2 2 241.379 0.973 20 0 BCADLP CN1C[C@H](C[N@@H+]2CC[C@H](C[NH+](C)C)C2)OC1=O ZINC000496434855 226304930 /nfs/dbraw/zinc/30/49/30/226304930.db2.gz FSWHYJKNAXAXOX-GHMZBOCLSA-N 2 2 241.335 0.321 20 0 BCADLP CN1C[C@H](C[N@H+]2CC[C@H](C[NH+](C)C)C2)OC1=O ZINC000496434855 226304931 /nfs/dbraw/zinc/30/49/31/226304931.db2.gz FSWHYJKNAXAXOX-GHMZBOCLSA-N 2 2 241.335 0.321 20 0 BCADLP C[C@H]([NH2+]CCN1CCSCC1)[C@@H]1CCC[NH2+]1 ZINC000400330764 226340497 /nfs/dbraw/zinc/34/04/97/226340497.db2.gz BTMWQBFWUIEUOK-RYUDHWBXSA-N 2 2 243.420 0.765 20 0 BCADLP COCC(COC)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400457203 226344000 /nfs/dbraw/zinc/34/40/00/226344000.db2.gz QEXGSJQUBJGDKU-ONGXEEELSA-N 2 2 216.325 0.378 20 0 BCADLP Cc1c(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cnn1C ZINC000400639229 226348361 /nfs/dbraw/zinc/34/83/61/226348361.db2.gz NPFIVROPWWPRLS-SKDRFNHKSA-N 2 2 222.336 0.959 20 0 BCADLP C[C@]1(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)CC[NH2+]C1 ZINC000496048520 226295366 /nfs/dbraw/zinc/29/53/66/226295366.db2.gz HTMKTGJDDZMVTN-PWSUYJOCSA-N 2 2 239.319 0.122 20 0 BCADLP C[C@]1(C[N@H+]2CCN3C(=O)OC[C@H]3C2)CC[NH2+]C1 ZINC000496048520 226295367 /nfs/dbraw/zinc/29/53/67/226295367.db2.gz HTMKTGJDDZMVTN-PWSUYJOCSA-N 2 2 239.319 0.122 20 0 BCADLP C[C@H](N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1(C)CC1 ZINC000653103566 487678174 /nfs/dbraw/zinc/67/81/74/487678174.db2.gz MADGLPPHFNHJHA-QWRGUYRKSA-N 2 2 241.379 0.912 20 0 BCADLP C[C@@H](O)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528726686 262968131 /nfs/dbraw/zinc/96/81/31/262968131.db2.gz KMYVMUGHGUHARZ-GFCCVEGCSA-N 2 2 242.363 0.554 20 0 BCADLP O=C1C[C@H]([NH2+]CC[NH+]2CCCC2)CCCN1 ZINC000082667592 487716273 /nfs/dbraw/zinc/71/62/73/487716273.db2.gz FMNDVBURTASMRC-LLVKDONJSA-N 2 2 225.336 0.341 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903935125 584825847 /nfs/dbraw/zinc/82/58/47/584825847.db2.gz NQLQDNFUQTZLPS-VIFPVBQESA-N 3 2 239.310 0.137 20 0 BCADLP CC1(C)C[N@H+](C[C@H]([NH3+])CC(F)F)C[C@@H]1O ZINC000903912215 584822328 /nfs/dbraw/zinc/82/23/28/584822328.db2.gz BPZRJSCOUHZTRH-SFYZADRCSA-N 2 2 222.279 0.672 20 0 BCADLP CC1(C)C[N@@H+](C[C@H]([NH3+])CC(F)F)C[C@@H]1O ZINC000903912215 584822330 /nfs/dbraw/zinc/82/23/30/584822330.db2.gz BPZRJSCOUHZTRH-SFYZADRCSA-N 2 2 222.279 0.672 20 0 BCADLP CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250334952 487729657 /nfs/dbraw/zinc/72/96/57/487729657.db2.gz YGAVDPHPOGLOPH-VXGBXAGGSA-N 2 2 239.363 0.587 20 0 BCADLP CCNC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250334952 487729661 /nfs/dbraw/zinc/72/96/61/487729661.db2.gz YGAVDPHPOGLOPH-VXGBXAGGSA-N 2 2 239.363 0.587 20 0 BCADLP C[NH+]1CCC(Nc2nc[nH+]c3c2OCCN3)CC1 ZINC000665689048 487730682 /nfs/dbraw/zinc/73/06/82/487730682.db2.gz SFWNDJVVWPARDW-UHFFFAOYSA-N 2 2 249.318 0.787 20 0 BCADLP C[NH+]1CCC(Nc2[nH+]cnc3c2OCCN3)CC1 ZINC000665689048 487730684 /nfs/dbraw/zinc/73/06/84/487730684.db2.gz SFWNDJVVWPARDW-UHFFFAOYSA-N 2 2 249.318 0.787 20 0 BCADLP CCOC[C@H](O)C[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000309948269 487731425 /nfs/dbraw/zinc/73/14/25/487731425.db2.gz FANKAEMVOOUQID-TUAOUCFPSA-N 2 2 230.352 0.314 20 0 BCADLP CCOC[C@H](O)C[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000309948269 487731429 /nfs/dbraw/zinc/73/14/29/487731429.db2.gz FANKAEMVOOUQID-TUAOUCFPSA-N 2 2 230.352 0.314 20 0 BCADLP COC[C@H](C)[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000251000752 487750612 /nfs/dbraw/zinc/75/06/12/487750612.db2.gz PJDHEXKXMXOFSY-GUBZILKMSA-N 2 2 202.298 0.069 20 0 BCADLP COC[C@H](C)[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000251000752 487750616 /nfs/dbraw/zinc/75/06/16/487750616.db2.gz PJDHEXKXMXOFSY-GUBZILKMSA-N 2 2 202.298 0.069 20 0 BCADLP C[NH2+]C[C@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000662964446 487772422 /nfs/dbraw/zinc/77/24/22/487772422.db2.gz BGYJQNGOWPMLKM-VIFPVBQESA-N 2 2 232.287 0.672 20 0 BCADLP C[C@@H]1CC[C@H](C[N@@H+]2CCO[C@@H](C[NH3+])C2)O1 ZINC000229000093 487795803 /nfs/dbraw/zinc/79/58/03/487795803.db2.gz UDSAEVBOUQQJPH-MXWKQRLJSA-N 2 2 214.309 0.213 20 0 BCADLP C[C@@H]1CC[C@H](C[N@H+]2CCO[C@@H](C[NH3+])C2)O1 ZINC000229000093 487795806 /nfs/dbraw/zinc/79/58/06/487795806.db2.gz UDSAEVBOUQQJPH-MXWKQRLJSA-N 2 2 214.309 0.213 20 0 BCADLP CC(C)[NH2+]CC(=O)NCCCCn1cc[nH+]c1 ZINC000045109219 487808511 /nfs/dbraw/zinc/80/85/11/487808511.db2.gz MLNBSBDBNQMOAG-UHFFFAOYSA-N 2 2 238.335 0.778 20 0 BCADLP C[C@H]1CCCN(Cc2[nH+]ccn2C)[C@H]1C[NH3+] ZINC000252100920 487815499 /nfs/dbraw/zinc/81/54/99/487815499.db2.gz GFSAIZUZSFSEAE-QWRGUYRKSA-N 2 2 222.336 0.979 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnnn1C ZINC000394841877 487816732 /nfs/dbraw/zinc/81/67/32/487816732.db2.gz GGHPGWLAVRVMJJ-BDAKNGLRSA-N 2 2 209.297 0.127 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnnn1C ZINC000394841877 487816737 /nfs/dbraw/zinc/81/67/37/487816737.db2.gz GGHPGWLAVRVMJJ-BDAKNGLRSA-N 2 2 209.297 0.127 20 0 BCADLP C[C@H]1C[NH2+]C[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC000401796010 487832344 /nfs/dbraw/zinc/83/23/44/487832344.db2.gz JOACNTMRZSNAFE-MWLCHTKSSA-N 2 2 225.336 0.100 20 0 BCADLP C[NH+](C)[C@H]1CCC[N@H+](CC[S@@](C)=O)CC1 ZINC000828426651 587441753 /nfs/dbraw/zinc/44/17/53/587441753.db2.gz AZZVMUJDCNSJSX-XHDPSFHLSA-N 2 2 232.393 0.781 20 0 BCADLP C[NH+](C)[C@H]1CCC[N@@H+](CC[S@@](C)=O)CC1 ZINC000828426651 587441755 /nfs/dbraw/zinc/44/17/55/587441755.db2.gz AZZVMUJDCNSJSX-XHDPSFHLSA-N 2 2 232.393 0.781 20 0 BCADLP C[C@@H]1C[NH+](C[C@H]2C[NH2+]CCO2)C[C@@H](C)S1 ZINC000226682828 487857347 /nfs/dbraw/zinc/85/73/47/487857347.db2.gz GXPMSKBXEJMHPY-GMTAPVOTSA-N 2 2 230.377 0.801 20 0 BCADLP COC(=O)CCC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000373144262 487861741 /nfs/dbraw/zinc/86/17/41/487861741.db2.gz ZNMLKNPJZJMEFO-VXGBXAGGSA-N 2 2 240.347 0.966 20 0 BCADLP COC(=O)CCC[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000373144262 487861744 /nfs/dbraw/zinc/86/17/44/487861744.db2.gz ZNMLKNPJZJMEFO-VXGBXAGGSA-N 2 2 240.347 0.966 20 0 BCADLP COC(=O)CCC[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000373144262 487861749 /nfs/dbraw/zinc/86/17/49/487861749.db2.gz ZNMLKNPJZJMEFO-VXGBXAGGSA-N 2 2 240.347 0.966 20 0 BCADLP COC(=O)CCC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000373144262 487861752 /nfs/dbraw/zinc/86/17/52/487861752.db2.gz ZNMLKNPJZJMEFO-VXGBXAGGSA-N 2 2 240.347 0.966 20 0 BCADLP COC[C@H](C[N@@H+]1CCC[C@@H]([NH3+])C1)OC ZINC000234702083 487863199 /nfs/dbraw/zinc/86/31/99/487863199.db2.gz DOTOFZIMHGYFAB-ZJUUUORDSA-N 2 2 202.298 0.071 20 0 BCADLP COC[C@H](C[N@H+]1CCC[C@@H]([NH3+])C1)OC ZINC000234702083 487863201 /nfs/dbraw/zinc/86/32/01/487863201.db2.gz DOTOFZIMHGYFAB-ZJUUUORDSA-N 2 2 202.298 0.071 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCC1(C)CC1 ZINC000653160680 487867035 /nfs/dbraw/zinc/86/70/35/487867035.db2.gz RVAJAIDEALORJZ-SNVBAGLBSA-N 2 2 227.352 0.572 20 0 BCADLP COCC[NH2+]CCNCc1c[nH+]c2ccccn12 ZINC000666823118 487882076 /nfs/dbraw/zinc/88/20/76/487882076.db2.gz OOUFCOROEIQJGO-UHFFFAOYSA-N 2 2 248.330 0.660 20 0 BCADLP C[NH+](C)C1(C(=O)NCCc2[nH]cc[nH+]2)CC1 ZINC000668536110 487898774 /nfs/dbraw/zinc/89/87/74/487898774.db2.gz OGHNDFNAGKXOBQ-UHFFFAOYSA-N 2 2 222.292 0.163 20 0 BCADLP Cc1nn(C)cc1C[N@H+](C)CC1C[NH+](C)C1 ZINC000668540028 487905033 /nfs/dbraw/zinc/90/50/33/487905033.db2.gz UITLBMWFCIEFFD-UHFFFAOYSA-N 2 2 222.336 0.722 20 0 BCADLP Cc1nn(C)cc1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668540028 487905037 /nfs/dbraw/zinc/90/50/37/487905037.db2.gz UITLBMWFCIEFFD-UHFFFAOYSA-N 2 2 222.336 0.722 20 0 BCADLP COC[C@H](C)C[N@H+](C)CC1C[NH+](C)C1 ZINC000668539791 487905155 /nfs/dbraw/zinc/90/51/55/487905155.db2.gz MPEJBPJFFFTHSL-SNVBAGLBSA-N 2 2 200.326 0.762 20 0 BCADLP COC[C@H](C)C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668539791 487905158 /nfs/dbraw/zinc/90/51/58/487905158.db2.gz MPEJBPJFFFTHSL-SNVBAGLBSA-N 2 2 200.326 0.762 20 0 BCADLP CCn1cc[nH+]c1CN[C@H]1C[NH2+]CCC1(F)F ZINC000666925956 487907461 /nfs/dbraw/zinc/90/74/61/487907461.db2.gz JTBZYOWKGCTEQZ-VIFPVBQESA-N 2 2 244.289 0.990 20 0 BCADLP C[C@@H]1C[C@@H](C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CC[NH2+]1 ZINC000666947580 487911632 /nfs/dbraw/zinc/91/16/32/487911632.db2.gz BOWPRVCGHILERM-RHYQMDGZSA-N 3 2 229.343 0.664 20 0 BCADLP Cc1[nH+]cc(C[N@H+](C)C[C@H]2COCCO2)n1C ZINC000668547688 487919441 /nfs/dbraw/zinc/91/94/41/487919441.db2.gz XONOTJHTLSTOEL-LBPRGKRZSA-N 2 2 239.319 0.576 20 0 BCADLP Cc1[nH+]cc(C[N@@H+](C)C[C@H]2COCCO2)n1C ZINC000668547688 487919445 /nfs/dbraw/zinc/91/94/45/487919445.db2.gz XONOTJHTLSTOEL-LBPRGKRZSA-N 2 2 239.319 0.576 20 0 BCADLP Cn1cc[nH+]c1Cn1cc(C[NH2+]C2CC2)nn1 ZINC000090297758 487930044 /nfs/dbraw/zinc/93/00/44/487930044.db2.gz DCTXUEFCUUKPTL-UHFFFAOYSA-N 2 2 232.291 0.312 20 0 BCADLP Cc1cccn2c(C[NH2+]C[C@@](C)(O)CO)c[nH+]c12 ZINC000684536899 487937107 /nfs/dbraw/zinc/93/71/07/487937107.db2.gz ZNEJVTCVAYTNAB-CYBMUJFWSA-N 2 2 249.314 0.476 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000336771313 487954286 /nfs/dbraw/zinc/95/42/86/487954286.db2.gz WQLHFDRWIMZNAT-GRYCIOLGSA-N 2 2 214.353 0.935 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000336771313 487954289 /nfs/dbraw/zinc/95/42/89/487954289.db2.gz WQLHFDRWIMZNAT-GRYCIOLGSA-N 2 2 214.353 0.935 20 0 BCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000569758271 323039816 /nfs/dbraw/zinc/03/98/16/323039816.db2.gz FWWQSAZXWJQFCI-SNVBAGLBSA-N 2 2 236.319 0.125 20 0 BCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000569758271 323039817 /nfs/dbraw/zinc/03/98/17/323039817.db2.gz FWWQSAZXWJQFCI-SNVBAGLBSA-N 2 2 236.319 0.125 20 0 BCADLP COC[C@@H](O)C[NH2+]CCCNc1cccc[nH+]1 ZINC000570322590 323056118 /nfs/dbraw/zinc/05/61/18/323056118.db2.gz LKBCLFCXUKYXGK-NSHDSACASA-N 2 2 239.319 0.481 20 0 BCADLP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1csnn1 ZINC000570331912 323056238 /nfs/dbraw/zinc/05/62/38/323056238.db2.gz DCLBEQQRKFSFDC-BQBZGAKWSA-N 2 2 200.311 0.754 20 0 BCADLP C[NH2+]CCCC(=O)NCCNc1cccc[nH+]1 ZINC000570393969 323058268 /nfs/dbraw/zinc/05/82/68/323058268.db2.gz XWTHQBJLSVPRHP-UHFFFAOYSA-N 2 2 236.319 0.609 20 0 BCADLP C[C@H](O)C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000570564308 323063093 /nfs/dbraw/zinc/06/30/93/323063093.db2.gz LWJXBXNKMYQLQS-JTQLQIEISA-N 2 2 219.288 0.847 20 0 BCADLP CCn1ncnc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000570582848 323063940 /nfs/dbraw/zinc/06/39/40/323063940.db2.gz LITWXUYTHXTIEX-NXEZZACHSA-N 2 2 223.324 0.658 20 0 BCADLP CC[N@H+](C)CC[NH2+][C@H]1CCOC[C@H]1C ZINC000249151387 323076044 /nfs/dbraw/zinc/07/60/44/323076044.db2.gz UQWZZTNOZXYYLK-MNOVXSKESA-N 2 2 200.326 0.953 20 0 BCADLP CC[N@@H+](C)CC[NH2+][C@H]1CCOC[C@H]1C ZINC000249151387 323076045 /nfs/dbraw/zinc/07/60/45/323076045.db2.gz UQWZZTNOZXYYLK-MNOVXSKESA-N 2 2 200.326 0.953 20 0 BCADLP [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000563069148 323084527 /nfs/dbraw/zinc/08/45/27/323084527.db2.gz HENGFZQZJHRKMD-DTWKUNHWSA-N 2 2 216.244 0.620 20 0 BCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000401651733 323105133 /nfs/dbraw/zinc/10/51/33/323105133.db2.gz QIIMSLKCPGIWID-DGCLKSJQSA-N 3 2 236.363 0.892 20 0 BCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000401651733 323105134 /nfs/dbraw/zinc/10/51/34/323105134.db2.gz QIIMSLKCPGIWID-DGCLKSJQSA-N 3 2 236.363 0.892 20 0 BCADLP O=C(NCCCCn1cc[nH+]c1)[C@]12C[C@H]1CC[NH2+]2 ZINC000567971320 323105820 /nfs/dbraw/zinc/10/58/20/323105820.db2.gz ABFKZAKWUCUQES-YPMHNXCESA-N 2 2 248.330 0.532 20 0 BCADLP C[C@@H](CC(=O)N1CCC[NH2+]CC1)n1cc[nH+]c1 ZINC000563336386 323118955 /nfs/dbraw/zinc/11/89/55/323118955.db2.gz HDGULIKKCLUTKP-NSHDSACASA-N 2 2 236.319 0.656 20 0 BCADLP NC(=O)c1ccc(C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000563430378 323125087 /nfs/dbraw/zinc/12/50/87/323125087.db2.gz AKEKALNOKJZEKL-NSHDSACASA-N 2 2 219.288 0.237 20 0 BCADLP CC(C)OC[C@H]1C[N@H+](CCC[NH3+])CCO1 ZINC000563435861 323125536 /nfs/dbraw/zinc/12/55/36/323125536.db2.gz YHDFJQFYFIUENF-LLVKDONJSA-N 2 2 216.325 0.461 20 0 BCADLP CC(C)OC[C@H]1C[N@@H+](CCC[NH3+])CCO1 ZINC000563435861 323125537 /nfs/dbraw/zinc/12/55/37/323125537.db2.gz YHDFJQFYFIUENF-LLVKDONJSA-N 2 2 216.325 0.461 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CC(=O)NC(C)(C)C)n1C ZINC000563440542 323126045 /nfs/dbraw/zinc/12/60/45/323126045.db2.gz MEXXILUKZWOVBO-UHFFFAOYSA-N 2 2 238.335 0.733 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)OC(C)(C)C1 ZINC000310493693 323132478 /nfs/dbraw/zinc/13/24/78/323132478.db2.gz GLTXVZWKRXZJPZ-RYUDHWBXSA-N 2 2 244.379 0.798 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)OC(C)(C)C1 ZINC000310493693 323132479 /nfs/dbraw/zinc/13/24/79/323132479.db2.gz GLTXVZWKRXZJPZ-RYUDHWBXSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000310493693 323132480 /nfs/dbraw/zinc/13/24/80/323132480.db2.gz GLTXVZWKRXZJPZ-RYUDHWBXSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000310493693 323132481 /nfs/dbraw/zinc/13/24/81/323132481.db2.gz GLTXVZWKRXZJPZ-RYUDHWBXSA-N 2 2 244.379 0.798 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000571298661 323140776 /nfs/dbraw/zinc/14/07/76/323140776.db2.gz XEXMKHRTJCGOGP-USZNOCQGSA-N 3 2 211.353 0.986 20 0 BCADLP C[C@H](O)CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000571340684 323141882 /nfs/dbraw/zinc/14/18/82/323141882.db2.gz KFXUZSXLCVITLD-QWRGUYRKSA-N 2 2 223.320 0.980 20 0 BCADLP C[C@H](O)CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000571340684 323141883 /nfs/dbraw/zinc/14/18/83/323141883.db2.gz KFXUZSXLCVITLD-QWRGUYRKSA-N 2 2 223.320 0.980 20 0 BCADLP CCOC(=O)C[N@@H+](CC)CCn1cc[nH+]c1 ZINC000050051399 323165159 /nfs/dbraw/zinc/16/51/59/323165159.db2.gz ZXXZLCRHBHLMTR-UHFFFAOYSA-N 2 2 225.292 0.768 20 0 BCADLP CCO[C@@H]1C[C@]([NH3+])(c2nc(C[NH3+])no2)C1(C)C ZINC000563885601 323183233 /nfs/dbraw/zinc/18/32/33/323183233.db2.gz DLWAUWLSJODDSR-HQJQHLMTSA-N 2 2 240.307 0.517 20 0 BCADLP CC[NH+]1CCC([NH2+]C[C@@H]2COCCN2)CC1 ZINC000530181417 323205634 /nfs/dbraw/zinc/20/56/34/323205634.db2.gz JSCGXTYKRZNMCL-GFCCVEGCSA-N 2 2 227.352 0.049 20 0 BCADLP CC[NH+]1CCC(NC[C@@H]2COCC[NH2+]2)CC1 ZINC000530181417 323205635 /nfs/dbraw/zinc/20/56/35/323205635.db2.gz JSCGXTYKRZNMCL-GFCCVEGCSA-N 2 2 227.352 0.049 20 0 BCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH+]1CCC1 ZINC000527001753 323310410 /nfs/dbraw/zinc/31/04/10/323310410.db2.gz WKZSVLQWOZBYSJ-UHFFFAOYSA-N 2 2 236.319 0.175 20 0 BCADLP CC(C)[N@H+](CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000093159167 324037139 /nfs/dbraw/zinc/03/71/39/324037139.db2.gz NBCDCKWVFUABRL-UHFFFAOYSA-N 2 2 239.363 0.633 20 0 BCADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CC[NH2+]CC1 ZINC000514782500 324112644 /nfs/dbraw/zinc/11/26/44/324112644.db2.gz SBAVSCRBJWMKCM-UHFFFAOYSA-N 2 2 245.286 0.771 20 0 BCADLP COCCOCC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000572494150 324130953 /nfs/dbraw/zinc/13/09/53/324130953.db2.gz LRBOFNMYFWYWFH-QWHCGFSZSA-N 2 2 242.363 0.818 20 0 BCADLP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000572494150 324130956 /nfs/dbraw/zinc/13/09/56/324130956.db2.gz LRBOFNMYFWYWFH-QWHCGFSZSA-N 2 2 242.363 0.818 20 0 BCADLP COCCOCC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000572494150 324130958 /nfs/dbraw/zinc/13/09/58/324130958.db2.gz LRBOFNMYFWYWFH-QWHCGFSZSA-N 2 2 242.363 0.818 20 0 BCADLP COCCOCC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000572494150 324130961 /nfs/dbraw/zinc/13/09/61/324130961.db2.gz LRBOFNMYFWYWFH-QWHCGFSZSA-N 2 2 242.363 0.818 20 0 BCADLP CC[C@H](C)[C@@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000572519552 324178743 /nfs/dbraw/zinc/17/87/43/324178743.db2.gz MKAFZVYZCVIYCI-QJPTWQEYSA-N 2 2 241.379 0.770 20 0 BCADLP CC[C@H](C)[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000572519552 324178748 /nfs/dbraw/zinc/17/87/48/324178748.db2.gz MKAFZVYZCVIYCI-QJPTWQEYSA-N 2 2 241.379 0.770 20 0 BCADLP CCn1cc[nH+]c1CNC(=O)Cn1c[nH+]cc1C ZINC000529447248 324301629 /nfs/dbraw/zinc/30/16/29/324301629.db2.gz YTAKIYPIZLXFRS-UHFFFAOYSA-N 2 2 247.302 0.724 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000158541922 487963925 /nfs/dbraw/zinc/96/39/25/487963925.db2.gz JWMIAOPPJUTFEB-DTWKUNHWSA-N 2 2 222.292 0.196 20 0 BCADLP COCCCC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000158525962 487964374 /nfs/dbraw/zinc/96/43/74/487964374.db2.gz IAFBYRVDDYLENB-MNOVXSKESA-N 2 2 216.325 0.461 20 0 BCADLP COCCCC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000158525962 487964376 /nfs/dbraw/zinc/96/43/76/487964376.db2.gz IAFBYRVDDYLENB-MNOVXSKESA-N 2 2 216.325 0.461 20 0 BCADLP [NH3+]CCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000083913187 487965122 /nfs/dbraw/zinc/96/51/22/487965122.db2.gz CGOPWVBCFJZFML-SNVBAGLBSA-N 2 2 234.303 0.125 20 0 BCADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC000076002371 325325471 /nfs/dbraw/zinc/32/54/71/325325471.db2.gz OGATZTNMCSNWCU-WDEREUQCSA-N 2 2 227.352 0.524 20 0 BCADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC000076002371 325325473 /nfs/dbraw/zinc/32/54/73/325325473.db2.gz OGATZTNMCSNWCU-WDEREUQCSA-N 2 2 227.352 0.524 20 0 BCADLP COc1c(N)[nH+]cnc1NCC[N@H+](C)C(C)C ZINC000134879722 325380781 /nfs/dbraw/zinc/38/07/81/325380781.db2.gz ZLXAOSYZNJDLPS-UHFFFAOYSA-N 2 2 239.323 0.820 20 0 BCADLP COc1c(N)[nH+]cnc1NCC[N@@H+](C)C(C)C ZINC000134879722 325380783 /nfs/dbraw/zinc/38/07/83/325380783.db2.gz ZLXAOSYZNJDLPS-UHFFFAOYSA-N 2 2 239.323 0.820 20 0 BCADLP CC[C@]1(C(=O)N(C)Cc2[nH]cc[nH+]2)CCC[NH2+]1 ZINC000122196168 487969618 /nfs/dbraw/zinc/96/96/18/487969618.db2.gz KCTARWQRZGKBAC-GFCCVEGCSA-N 2 2 236.319 0.900 20 0 BCADLP COC(=O)[C@H]1CC12CC[NH+](CC[NH3+])CC2 ZINC000566244822 326022400 /nfs/dbraw/zinc/02/24/00/326022400.db2.gz ABZYUPQOASXFAA-SECBINFHSA-N 2 2 212.293 0.220 20 0 BCADLP C[C@@H]1C[N@H+](CCN2CC[C@H]([NH3+])C[C@H]2C)CCO1 ZINC000566412293 326041031 /nfs/dbraw/zinc/04/10/31/326041031.db2.gz DWSPMIBWYDANHM-UPJWGTAASA-N 2 2 241.379 0.519 20 0 BCADLP C[C@@H]1C[N@@H+](CCN2CC[C@H]([NH3+])C[C@H]2C)CCO1 ZINC000566412293 326041034 /nfs/dbraw/zinc/04/10/34/326041034.db2.gz DWSPMIBWYDANHM-UPJWGTAASA-N 2 2 241.379 0.519 20 0 BCADLP C[C@H]1CC[N@H+](CC(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000566441634 326047578 /nfs/dbraw/zinc/04/75/78/326047578.db2.gz IFOHUOYZBQTAKT-NSHDSACASA-N 2 2 248.330 0.608 20 0 BCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000566441634 326047580 /nfs/dbraw/zinc/04/75/80/326047580.db2.gz IFOHUOYZBQTAKT-NSHDSACASA-N 2 2 248.330 0.608 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H](C)CC(N)=O)n1C ZINC000566631765 326070853 /nfs/dbraw/zinc/07/08/53/326070853.db2.gz XHJUSZWIXKKZHG-SSDOTTSWSA-N 2 2 210.281 0.082 20 0 BCADLP CCCCCNC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000566856375 326088823 /nfs/dbraw/zinc/08/88/23/326088823.db2.gz ZITXAQOBWKUPIH-GFCCVEGCSA-N 2 2 241.379 0.964 20 0 BCADLP CCCCCNC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000566856375 326088826 /nfs/dbraw/zinc/08/88/26/326088826.db2.gz ZITXAQOBWKUPIH-GFCCVEGCSA-N 2 2 241.379 0.964 20 0 BCADLP Cc1cccn2c(C[NH2+][C@@H]3COC[C@H]3O)c[nH+]c12 ZINC000567072910 326111382 /nfs/dbraw/zinc/11/13/82/326111382.db2.gz RZZWQOQKNIAELR-VXGBXAGGSA-N 2 2 247.298 0.492 20 0 BCADLP CC(=O)N1CC([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000567123275 326120066 /nfs/dbraw/zinc/12/00/66/326120066.db2.gz BRYPMECDQXBFCF-UHFFFAOYSA-N 2 2 237.347 0.434 20 0 BCADLP CC[NH2+]CCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000567159326 326125561 /nfs/dbraw/zinc/12/55/61/326125561.db2.gz GBPQUCCNUZKTFK-STQMWFEESA-N 3 2 241.379 0.343 20 0 BCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000154426880 326143585 /nfs/dbraw/zinc/14/35/85/326143585.db2.gz VDXPVNZOYGRDHK-NSHDSACASA-N 2 2 225.336 0.245 20 0 BCADLP C[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000154426880 326143586 /nfs/dbraw/zinc/14/35/86/326143586.db2.gz VDXPVNZOYGRDHK-NSHDSACASA-N 2 2 225.336 0.245 20 0 BCADLP CCC[N@H+](CC)CCNC(=O)Cn1cc[nH+]c1 ZINC000567413136 326185845 /nfs/dbraw/zinc/18/58/45/326185845.db2.gz MYNDIDJMTGBOFK-UHFFFAOYSA-N 2 2 238.335 0.731 20 0 BCADLP CCC[N@@H+](CC)CCNC(=O)Cn1cc[nH+]c1 ZINC000567413136 326185849 /nfs/dbraw/zinc/18/58/49/326185849.db2.gz MYNDIDJMTGBOFK-UHFFFAOYSA-N 2 2 238.335 0.731 20 0 BCADLP Cc1cc(NC(=O)NCC(C)(C)[NH3+])c(C)c[nH+]1 ZINC000567711214 326249926 /nfs/dbraw/zinc/24/99/26/326249926.db2.gz KSOIMOVBOFFOTP-UHFFFAOYSA-N 2 2 236.319 0.979 20 0 BCADLP CCN(C)C(=O)CC[N@H+](C)[C@@H](C)C[NH3+] ZINC000567736088 326253159 /nfs/dbraw/zinc/25/31/59/326253159.db2.gz HBLZKBNTWPZJHL-VIFPVBQESA-N 2 2 201.314 0.134 20 0 BCADLP CCN(C)C(=O)CC[N@@H+](C)[C@@H](C)C[NH3+] ZINC000567736088 326253160 /nfs/dbraw/zinc/25/31/60/326253160.db2.gz HBLZKBNTWPZJHL-VIFPVBQESA-N 2 2 201.314 0.134 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](CCCc2ccncc2)CCO1 ZINC000567735999 326253185 /nfs/dbraw/zinc/25/31/85/326253185.db2.gz ZCIXJTNNDQZPDN-CYBMUJFWSA-N 2 2 235.331 0.674 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](CCCc2ccncc2)CCO1 ZINC000567735999 326253187 /nfs/dbraw/zinc/25/31/87/326253187.db2.gz ZCIXJTNNDQZPDN-CYBMUJFWSA-N 2 2 235.331 0.674 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC000567889995 326277103 /nfs/dbraw/zinc/27/71/03/326277103.db2.gz SYGQMMRKVVQEDK-FRRDWIJNSA-N 2 2 242.363 0.770 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC000567889994 326277142 /nfs/dbraw/zinc/27/71/42/326277142.db2.gz SYGQMMRKVVQEDK-AGIUHOORSA-N 2 2 242.363 0.770 20 0 BCADLP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ncn(C)n1 ZINC000314437439 326299595 /nfs/dbraw/zinc/29/95/95/326299595.db2.gz ZLXFUMUTGRCRDI-JTQLQIEISA-N 2 2 248.334 0.832 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](O)C1 ZINC000314648826 326305271 /nfs/dbraw/zinc/30/52/71/326305271.db2.gz VSQCBLVCKWQQSI-LBPRGKRZSA-N 2 2 223.320 0.809 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](O)C1 ZINC000314648826 326305273 /nfs/dbraw/zinc/30/52/73/326305273.db2.gz VSQCBLVCKWQQSI-LBPRGKRZSA-N 2 2 223.320 0.809 20 0 BCADLP Cn1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC000568088980 326306563 /nfs/dbraw/zinc/30/65/63/326306563.db2.gz BPGZMOISXUJVRG-ZDUSSCGKSA-N 2 2 234.347 0.996 20 0 BCADLP Cn1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC000568088980 326306567 /nfs/dbraw/zinc/30/65/67/326306567.db2.gz BPGZMOISXUJVRG-ZDUSSCGKSA-N 2 2 234.347 0.996 20 0 BCADLP CC[C@@H](C(=O)NCc1[nH+]ccn1CC)[NH+](C)C ZINC000568107262 326309259 /nfs/dbraw/zinc/30/92/59/326309259.db2.gz HQRMSDQTRIFNFM-JTQLQIEISA-N 2 2 238.335 0.859 20 0 BCADLP CC[NH+]1CCN(C(=O)CC(F)(F)C[NH3+])CC1 ZINC000568149546 326311319 /nfs/dbraw/zinc/31/13/19/326311319.db2.gz QTNBMINMSHRRSG-UHFFFAOYSA-N 2 2 235.278 0.135 20 0 BCADLP C[NH2+][C@@H](C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000568236876 326331704 /nfs/dbraw/zinc/33/17/04/326331704.db2.gz XNSZBBKKZIBIIG-VIFPVBQESA-N 2 2 236.319 0.372 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]1C(C)C ZINC000568247395 326333873 /nfs/dbraw/zinc/33/38/73/326333873.db2.gz LFZAKRYMXPCFKF-STQMWFEESA-N 2 2 244.379 0.656 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]1C(C)C ZINC000568247395 326333874 /nfs/dbraw/zinc/33/38/74/326333874.db2.gz LFZAKRYMXPCFKF-STQMWFEESA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]1C(C)C ZINC000568247395 326333875 /nfs/dbraw/zinc/33/38/75/326333875.db2.gz LFZAKRYMXPCFKF-STQMWFEESA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]1C(C)C ZINC000568247395 326333876 /nfs/dbraw/zinc/33/38/76/326333876.db2.gz LFZAKRYMXPCFKF-STQMWFEESA-N 2 2 244.379 0.656 20 0 BCADLP C[C@H](C(=O)NCc1[nH]cc[nH+]1)[NH+]1CC(C)C1 ZINC000568374804 326351000 /nfs/dbraw/zinc/35/10/00/326351000.db2.gz FTUUBWWXDFAFIE-SECBINFHSA-N 2 2 222.292 0.366 20 0 BCADLP c1c[nH+]c(N2CC[NH+](CCc3cn[nH]c3)CC2)[nH]1 ZINC000568527248 326363207 /nfs/dbraw/zinc/36/32/07/326363207.db2.gz SNXRITATQGWFOK-UHFFFAOYSA-N 2 2 246.318 0.498 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC2(CCO2)CC1 ZINC000568659794 326371636 /nfs/dbraw/zinc/37/16/36/326371636.db2.gz JWMMILLNXGBSLU-LBPRGKRZSA-N 2 2 242.363 0.554 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CCO2)CC1 ZINC000568659794 326371637 /nfs/dbraw/zinc/37/16/37/326371637.db2.gz JWMMILLNXGBSLU-LBPRGKRZSA-N 2 2 242.363 0.554 20 0 BCADLP CCn1cc[nH+]c1CNC(=O)Cn1cc[nH+]c1C ZINC000568662943 326371740 /nfs/dbraw/zinc/37/17/40/326371740.db2.gz OMFCWBJGOSWXBB-UHFFFAOYSA-N 2 2 247.302 0.724 20 0 BCADLP O[C@@H]1COC[C@@H]1[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000568722710 326373546 /nfs/dbraw/zinc/37/35/46/326373546.db2.gz VDYSOEUMHSLVSZ-OUAUKWLOSA-N 2 2 237.303 0.349 20 0 BCADLP O[C@@H]1COC[C@@H]1[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000568722710 326373547 /nfs/dbraw/zinc/37/35/47/326373547.db2.gz VDYSOEUMHSLVSZ-OUAUKWLOSA-N 2 2 237.303 0.349 20 0 BCADLP C[NH2+][C@@H](C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000568768430 326376714 /nfs/dbraw/zinc/37/67/14/326376714.db2.gz SCYZBQIRWVBDEV-ZJUUUORDSA-N 2 2 224.308 0.243 20 0 BCADLP C[NH2+][C@@H](C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000568768428 326376738 /nfs/dbraw/zinc/37/67/38/326376738.db2.gz SCYZBQIRWVBDEV-UWVGGRQHSA-N 2 2 224.308 0.243 20 0 BCADLP O=C(Cn1cc[nH+]c1)N1CC(n2cc[nH+]c2)C1 ZINC000568815668 326377621 /nfs/dbraw/zinc/37/76/21/326377621.db2.gz KLRNQNVMYDAQHR-UHFFFAOYSA-N 2 2 231.259 0.163 20 0 BCADLP CCn1cc(C[N@H+](C)C[C@@](C)(O)C[NH2+]C)cn1 ZINC000569009862 326386631 /nfs/dbraw/zinc/38/66/31/326386631.db2.gz HDVCUKASKHCVIT-LBPRGKRZSA-N 2 2 240.351 0.305 20 0 BCADLP CCn1cc(C[N@@H+](C)C[C@@](C)(O)C[NH2+]C)cn1 ZINC000569009862 326386632 /nfs/dbraw/zinc/38/66/32/326386632.db2.gz HDVCUKASKHCVIT-LBPRGKRZSA-N 2 2 240.351 0.305 20 0 BCADLP CC[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)C(=O)NC ZINC000569260170 326398401 /nfs/dbraw/zinc/39/84/01/326398401.db2.gz OKLVCAYPXIJTQZ-SNVBAGLBSA-N 2 2 224.308 0.343 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)C(C)C ZINC000186578172 487988400 /nfs/dbraw/zinc/98/84/00/487988400.db2.gz SUEYZMIHAIIANG-NSHDSACASA-N 2 2 202.342 0.935 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)C(C)C ZINC000186578172 487988404 /nfs/dbraw/zinc/98/84/04/487988404.db2.gz SUEYZMIHAIIANG-NSHDSACASA-N 2 2 202.342 0.935 20 0 BCADLP CC[N@@H+]1CCN(C(=O)[C@H](C)[NH+](C)C)C[C@H]1C ZINC000677182277 487993355 /nfs/dbraw/zinc/99/33/55/487993355.db2.gz FJDYDJHWHXKYOC-MNOVXSKESA-N 2 2 227.352 0.489 20 0 BCADLP CC[N@H+]1CCN(C(=O)[C@H](C)[NH+](C)C)C[C@H]1C ZINC000677182277 487993361 /nfs/dbraw/zinc/99/33/61/487993361.db2.gz FJDYDJHWHXKYOC-MNOVXSKESA-N 2 2 227.352 0.489 20 0 BCADLP C[NH+](C)C1(C(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000668603119 487996140 /nfs/dbraw/zinc/99/61/40/487996140.db2.gz BXOHSIZZDSNEKX-UHFFFAOYSA-N 2 2 208.265 0.120 20 0 BCADLP CN(CCC[NH+]1CCOCC1)Cc1[nH]cc[nH+]1 ZINC000682672493 488009309 /nfs/dbraw/zinc/00/93/09/488009309.db2.gz CCMFTVQIZOMSPJ-UHFFFAOYSA-N 2 2 238.335 0.564 20 0 BCADLP C[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)CC[NH2+]1 ZINC000235727917 488011242 /nfs/dbraw/zinc/01/12/42/488011242.db2.gz XYZXZEAKTSPDAN-DTWKUNHWSA-N 2 2 246.318 0.916 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](C(N)=O)C2)n1C ZINC000667462660 488014431 /nfs/dbraw/zinc/01/44/31/488014431.db2.gz QALWYRDUSDNNMG-JTQLQIEISA-N 2 2 236.319 0.426 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H](C(N)=O)C2)n1C ZINC000667462660 488014442 /nfs/dbraw/zinc/01/44/42/488014442.db2.gz QALWYRDUSDNNMG-JTQLQIEISA-N 2 2 236.319 0.426 20 0 BCADLP C[N@@H+]1CCCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667462873 488015036 /nfs/dbraw/zinc/01/50/36/488015036.db2.gz YACJJFQCKVGQFN-UHFFFAOYSA-N 2 2 234.347 0.967 20 0 BCADLP C[N@H+]1CCCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667462873 488015038 /nfs/dbraw/zinc/01/50/38/488015038.db2.gz YACJJFQCKVGQFN-UHFFFAOYSA-N 2 2 234.347 0.967 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655448753 488036764 /nfs/dbraw/zinc/03/67/64/488036764.db2.gz VIDLJGVLSXTSMJ-SKDRFNHKSA-N 2 2 234.303 0.416 20 0 BCADLP Cn1cc(C[NH2+]C[C@H]2CCCC[NH2+]2)cn1 ZINC000236082882 488039598 /nfs/dbraw/zinc/03/95/98/488039598.db2.gz NUFVIUSKCNTUDP-LLVKDONJSA-N 2 2 208.309 0.652 20 0 BCADLP C[C@@H](C[NH3+])CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655450363 488040401 /nfs/dbraw/zinc/04/04/01/488040401.db2.gz LGXZAMUGBWBVIV-VHSXEESVSA-N 2 2 236.319 0.157 20 0 BCADLP Cc1[nH+]cc(C[N@H+](CCO)CC2CC2)n1C ZINC000667556790 488044767 /nfs/dbraw/zinc/04/47/67/488044767.db2.gz GJMDVSMFWZKEKH-UHFFFAOYSA-N 2 2 223.320 0.933 20 0 BCADLP Cc1[nH+]cc(C[N@@H+](CCO)CC2CC2)n1C ZINC000667556790 488044771 /nfs/dbraw/zinc/04/47/71/488044771.db2.gz GJMDVSMFWZKEKH-UHFFFAOYSA-N 2 2 223.320 0.933 20 0 BCADLP C([N@@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663496865 488045676 /nfs/dbraw/zinc/04/56/76/488045676.db2.gz ZZQUZFOXKUPTSA-NDBYEHHHSA-N 3 2 221.348 0.422 20 0 BCADLP C([N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663496865 488045682 /nfs/dbraw/zinc/04/56/82/488045682.db2.gz ZZQUZFOXKUPTSA-NDBYEHHHSA-N 3 2 221.348 0.422 20 0 BCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1C[C@H]1C ZINC000666085388 488064884 /nfs/dbraw/zinc/06/48/84/488064884.db2.gz OXBJCXXGLKCTJO-GRYCIOLGSA-N 2 2 239.363 0.395 20 0 BCADLP C[NH+]1CCN(C(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC000257924202 488092208 /nfs/dbraw/zinc/09/22/08/488092208.db2.gz ARYHCXZBBAQJIQ-UHFFFAOYSA-N 2 2 245.326 0.677 20 0 BCADLP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nn1 ZINC000389837734 488116647 /nfs/dbraw/zinc/11/66/47/488116647.db2.gz READEZNOIYUBHC-FRRDWIJNSA-N 2 2 249.362 0.825 20 0 BCADLP C1SCC1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668692664 488121967 /nfs/dbraw/zinc/12/19/67/488121967.db2.gz LGEDZQOLTQQEOL-GFCCVEGCSA-N 2 2 242.388 0.945 20 0 BCADLP COc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000677818425 488132776 /nfs/dbraw/zinc/13/27/76/488132776.db2.gz MUCGJRUZQZHABL-VXGBXAGGSA-N 2 2 233.315 0.741 20 0 BCADLP COc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000677818423 488133313 /nfs/dbraw/zinc/13/33/13/488133313.db2.gz MUCGJRUZQZHABL-RYUDHWBXSA-N 2 2 233.315 0.741 20 0 BCADLP CC(C)C[C@@H](C)C[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662288958 487539865 /nfs/dbraw/zinc/53/98/65/487539865.db2.gz WDBHTVLPFSNDIY-NEPJUHHUSA-N 2 2 232.368 0.283 20 0 BCADLP CC(C)C[C@@H](C)C[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662288958 487539868 /nfs/dbraw/zinc/53/98/68/487539868.db2.gz WDBHTVLPFSNDIY-NEPJUHHUSA-N 2 2 232.368 0.283 20 0 BCADLP CCN1CC[C@@H]([N@H+](C)CC(C)(C)[NH3+])C1=O ZINC000662294205 487542685 /nfs/dbraw/zinc/54/26/85/487542685.db2.gz JNOCZTSPGHDSNG-SECBINFHSA-N 2 2 213.325 0.276 20 0 BCADLP CCN1CC[C@@H]([N@@H+](C)CC(C)(C)[NH3+])C1=O ZINC000662294205 487542691 /nfs/dbraw/zinc/54/26/91/487542691.db2.gz JNOCZTSPGHDSNG-SECBINFHSA-N 2 2 213.325 0.276 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)[NH+](C)C ZINC000674286854 487547564 /nfs/dbraw/zinc/54/75/64/487547564.db2.gz ZRRXPHWCYNGTBC-ZJUUUORDSA-N 2 2 224.308 0.338 20 0 BCADLP COCC1([N@H+](C)C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000685570234 487551612 /nfs/dbraw/zinc/55/16/12/487551612.db2.gz PDRDYKPMYQFWKW-LBPRGKRZSA-N 2 2 242.363 0.552 20 0 BCADLP COCC1([N@@H+](C)C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000685570234 487551614 /nfs/dbraw/zinc/55/16/14/487551614.db2.gz PDRDYKPMYQFWKW-LBPRGKRZSA-N 2 2 242.363 0.552 20 0 BCADLP COCC1([NH+](C)C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000685570234 487551617 /nfs/dbraw/zinc/55/16/17/487551617.db2.gz PDRDYKPMYQFWKW-LBPRGKRZSA-N 2 2 242.363 0.552 20 0 BCADLP COCC1([NH+](C)C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000685570234 487551619 /nfs/dbraw/zinc/55/16/19/487551619.db2.gz PDRDYKPMYQFWKW-LBPRGKRZSA-N 2 2 242.363 0.552 20 0 BCADLP C[N@H+](CCC1CCOCC1)C[C@H]1C[NH2+]CCO1 ZINC000258852837 488140758 /nfs/dbraw/zinc/14/07/58/488140758.db2.gz GCRISBPEMCEYOY-CYBMUJFWSA-N 2 2 242.363 0.723 20 0 BCADLP C[N@@H+](CCC1CCOCC1)C[C@H]1C[NH2+]CCO1 ZINC000258852837 488140760 /nfs/dbraw/zinc/14/07/60/488140760.db2.gz GCRISBPEMCEYOY-CYBMUJFWSA-N 2 2 242.363 0.723 20 0 BCADLP C[C@@H](O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000685000529 487487865 /nfs/dbraw/zinc/48/78/65/487487865.db2.gz RILRDZBKYUREBB-GHMZBOCLSA-N 2 2 209.293 0.901 20 0 BCADLP C[C@@H](O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000685000529 487487869 /nfs/dbraw/zinc/48/78/69/487487869.db2.gz RILRDZBKYUREBB-GHMZBOCLSA-N 2 2 209.293 0.901 20 0 BCADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)NC1CC1 ZINC000334200628 487497472 /nfs/dbraw/zinc/49/74/72/487497472.db2.gz NLVYORKNOCEKCE-CYBMUJFWSA-N 2 2 237.347 0.341 20 0 BCADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)NC1CC1 ZINC000334200628 487497474 /nfs/dbraw/zinc/49/74/74/487497474.db2.gz NLVYORKNOCEKCE-CYBMUJFWSA-N 2 2 237.347 0.341 20 0 BCADLP Cc1[nH+]cc(C[NH+]2CC(C(C)(C)O)C2)n1C ZINC000668232072 487499879 /nfs/dbraw/zinc/49/98/79/487499879.db2.gz AWWSOYDFVMIALE-UHFFFAOYSA-N 2 2 223.320 0.931 20 0 BCADLP C[C@@H](O)C[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000666123533 487508575 /nfs/dbraw/zinc/50/85/75/487508575.db2.gz GPMVUYKOUWNGBX-IJLUTSLNSA-N 2 2 230.352 0.456 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)C1 ZINC000381860816 487524417 /nfs/dbraw/zinc/52/44/17/487524417.db2.gz IWZBJQFBMGBOKY-SNVBAGLBSA-N 2 2 200.326 0.641 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)C1 ZINC000381860816 487524421 /nfs/dbraw/zinc/52/44/21/487524421.db2.gz IWZBJQFBMGBOKY-SNVBAGLBSA-N 2 2 200.326 0.641 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)CC1([NH3+])CCC1 ZINC000094294725 487526978 /nfs/dbraw/zinc/52/69/78/487526978.db2.gz COFCNEMQUSILBS-UHFFFAOYSA-N 2 2 236.319 0.650 20 0 BCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[NH2+]CC1 ZINC000232233596 487526997 /nfs/dbraw/zinc/52/69/97/487526997.db2.gz HMOVYTUMEKLFNY-LLVKDONJSA-N 2 2 236.319 0.532 20 0 BCADLP C[C@@H](C(=O)NCCCn1cc[nH+]c1)[NH+](C)C ZINC000674244254 487533836 /nfs/dbraw/zinc/53/38/36/487533836.db2.gz LYCJSQDGEHKPBI-JTQLQIEISA-N 2 2 224.308 0.340 20 0 BCADLP CC[N@@H+]1CCN(C(=O)C[NH+](C)C)C[C@H]1C ZINC000677218222 488003097 /nfs/dbraw/zinc/00/30/97/488003097.db2.gz XSDVAHRSOGYWRX-SNVBAGLBSA-N 2 2 213.325 0.101 20 0 BCADLP CC[N@H+]1CCN(C(=O)C[NH+](C)C)C[C@H]1C ZINC000677218222 488003099 /nfs/dbraw/zinc/00/30/99/488003099.db2.gz XSDVAHRSOGYWRX-SNVBAGLBSA-N 2 2 213.325 0.101 20 0 BCADLP C[C@@H](O)C1([NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000668701269 488136866 /nfs/dbraw/zinc/13/68/66/488136866.db2.gz PLPBPOJYFTVQCQ-SECBINFHSA-N 2 2 221.304 0.832 20 0 BCADLP C[NH2+][C@@H]1CCC[N@H+](CCc2ccnn2C)C1 ZINC000230745651 488150425 /nfs/dbraw/zinc/15/04/25/488150425.db2.gz NBCVBFCIFNSAGL-LLVKDONJSA-N 2 2 222.336 0.646 20 0 BCADLP C[NH2+][C@@H]1CCC[N@@H+](CCc2ccnn2C)C1 ZINC000230745651 488150428 /nfs/dbraw/zinc/15/04/28/488150428.db2.gz NBCVBFCIFNSAGL-LLVKDONJSA-N 2 2 222.336 0.646 20 0 BCADLP CCn1cnnc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000230750220 488151727 /nfs/dbraw/zinc/15/17/27/488151727.db2.gz KAXHLTBURBWOMR-ZJUUUORDSA-N 2 2 223.324 0.658 20 0 BCADLP C[NH+](C)CC(C)(C)[NH2+]CCn1ccccc1=O ZINC000308632546 488213354 /nfs/dbraw/zinc/21/33/54/488213354.db2.gz QPIMBKBGVUQZPQ-UHFFFAOYSA-N 2 2 237.347 0.778 20 0 BCADLP CCC[N@H+](CC(N)=O)Cc1c[nH+]c(C)n1C ZINC000668188886 488217551 /nfs/dbraw/zinc/21/75/51/488217551.db2.gz ROAQONBHRXTTAU-UHFFFAOYSA-N 2 2 224.308 0.426 20 0 BCADLP CCC[N@@H+](CC(N)=O)Cc1c[nH+]c(C)n1C ZINC000668188886 488217555 /nfs/dbraw/zinc/21/75/55/488217555.db2.gz ROAQONBHRXTTAU-UHFFFAOYSA-N 2 2 224.308 0.426 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cn[nH]c2)C1 ZINC000678265130 488224000 /nfs/dbraw/zinc/22/40/00/488224000.db2.gz XWMDIBYKXIQOQR-SNVBAGLBSA-N 2 2 208.309 0.793 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cn[nH]c2)C1 ZINC000678265130 488224002 /nfs/dbraw/zinc/22/40/02/488224002.db2.gz XWMDIBYKXIQOQR-SNVBAGLBSA-N 2 2 208.309 0.793 20 0 BCADLP C[C@@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C)[NH+](C)C ZINC000678430464 488255879 /nfs/dbraw/zinc/25/58/79/488255879.db2.gz QPMSBYNXPYIDIV-MXWKQRLJSA-N 2 2 227.352 0.488 20 0 BCADLP C[C@@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C)[NH+](C)C ZINC000678430464 488255881 /nfs/dbraw/zinc/25/58/81/488255881.db2.gz QPMSBYNXPYIDIV-MXWKQRLJSA-N 2 2 227.352 0.488 20 0 BCADLP Cc1cc(=O)[nH]c([C@H](C)[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000684089342 488265231 /nfs/dbraw/zinc/26/52/31/488265231.db2.gz UHROVXPYLOXRRV-DCAQKATOSA-N 2 2 248.330 0.703 20 0 BCADLP Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000684089345 488265240 /nfs/dbraw/zinc/26/52/40/488265240.db2.gz UHROVXPYLOXRRV-MXWKQRLJSA-N 2 2 248.330 0.703 20 0 BCADLP Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000684089345 488265241 /nfs/dbraw/zinc/26/52/41/488265241.db2.gz UHROVXPYLOXRRV-MXWKQRLJSA-N 2 2 248.330 0.703 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)C[C@H](C)S1 ZINC000070651218 490111724 /nfs/dbraw/zinc/11/17/24/490111724.db2.gz GXPMSKBXEJMHPY-AXFHLTTASA-N 2 2 230.377 0.801 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)C[C@H](C)S1 ZINC000070651218 490111726 /nfs/dbraw/zinc/11/17/26/490111726.db2.gz GXPMSKBXEJMHPY-AXFHLTTASA-N 2 2 230.377 0.801 20 0 BCADLP CCc1cc(NCCc2c[nH+]cn2C)nc[nH+]1 ZINC000401782770 490134115 /nfs/dbraw/zinc/13/41/15/490134115.db2.gz RIUJNNFRRWVDQC-UHFFFAOYSA-N 2 2 231.303 0.849 20 0 BCADLP O=C1C[C@@H](C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CN1 ZINC000660076484 490156164 /nfs/dbraw/zinc/15/61/64/490156164.db2.gz JESOWMVIGGKZEO-MNOVXSKESA-N 2 2 248.330 0.725 20 0 BCADLP O=C1C[C@@H](C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CN1 ZINC000660076484 490156171 /nfs/dbraw/zinc/15/61/71/490156171.db2.gz JESOWMVIGGKZEO-MNOVXSKESA-N 2 2 248.330 0.725 20 0 BCADLP CC(C)NC(=O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129781495 490169542 /nfs/dbraw/zinc/16/95/42/490169542.db2.gz LJASLXNAIAERIA-MNOVXSKESA-N 2 2 227.352 0.583 20 0 BCADLP CC(C)NC(=O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129781495 490169545 /nfs/dbraw/zinc/16/95/45/490169545.db2.gz LJASLXNAIAERIA-MNOVXSKESA-N 2 2 227.352 0.583 20 0 BCADLP C[C@@H](C(=O)N1CC[NH+](C2CC2)CC1)[NH+](C)C ZINC000078698098 490219431 /nfs/dbraw/zinc/21/94/31/490219431.db2.gz XFJYWJBZOMLFNM-JTQLQIEISA-N 2 2 225.336 0.243 20 0 BCADLP Cn1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000123992477 490270933 /nfs/dbraw/zinc/27/09/33/490270933.db2.gz BYGIMWJTPYZZOF-NXEZZACHSA-N 2 2 206.293 0.071 20 0 BCADLP COc1ncncc1C[NH2+]CCn1cc[nH+]c1 ZINC000647167672 490311457 /nfs/dbraw/zinc/31/14/57/490311457.db2.gz OFUKFPPUIPPDKL-UHFFFAOYSA-N 2 2 233.275 0.472 20 0 BCADLP C[NH+](C)CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000074726810 490501117 /nfs/dbraw/zinc/50/11/17/490501117.db2.gz HVHFSAVUGDACJW-UHFFFAOYSA-N 2 2 224.308 0.410 20 0 BCADLP C[NH+](C)CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000074726810 490501119 /nfs/dbraw/zinc/50/11/19/490501119.db2.gz HVHFSAVUGDACJW-UHFFFAOYSA-N 2 2 224.308 0.410 20 0 BCADLP COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000668284171 491105334 /nfs/dbraw/zinc/10/53/34/491105334.db2.gz DXZHCWCQXXAZQI-CMPLNLGQSA-N 2 2 239.319 0.310 20 0 BCADLP COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1c[nH+]c(C)n1C ZINC000668284171 491105336 /nfs/dbraw/zinc/10/53/36/491105336.db2.gz DXZHCWCQXXAZQI-CMPLNLGQSA-N 2 2 239.319 0.310 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccccn2)CCCO1 ZINC000313356644 491123654 /nfs/dbraw/zinc/12/36/54/491123654.db2.gz ORTUBHZVCCCMJF-GFCCVEGCSA-N 2 2 221.304 0.631 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccn2)CCCO1 ZINC000313356644 491123655 /nfs/dbraw/zinc/12/36/55/491123655.db2.gz ORTUBHZVCCCMJF-GFCCVEGCSA-N 2 2 221.304 0.631 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cn[nH]c1 ZINC000309745571 491155846 /nfs/dbraw/zinc/15/58/46/491155846.db2.gz FLSSODZYUPNQFI-JOYOIKCWSA-N 2 2 220.320 0.982 20 0 BCADLP C[C@H]([NH2+]CC(=O)NC(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000400332672 533818542 /nfs/dbraw/zinc/81/85/42/533818542.db2.gz FFFPGGFZIUKUIU-VHSXEESVSA-N 2 2 227.352 0.631 20 0 BCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492760907 534020240 /nfs/dbraw/zinc/02/02/40/534020240.db2.gz FHDSVLLTGIGLBP-PGLGOXFNSA-N 2 2 248.330 0.976 20 0 BCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492760907 534020245 /nfs/dbraw/zinc/02/02/45/534020245.db2.gz FHDSVLLTGIGLBP-PGLGOXFNSA-N 2 2 248.330 0.976 20 0 BCADLP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261591078 535648039 /nfs/dbraw/zinc/64/80/39/535648039.db2.gz UYCPCTCYGFXXQQ-JQWIXIFHSA-N 2 2 228.336 0.999 20 0 BCADLP CCOC(=O)[C@H](CC)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261591078 535648049 /nfs/dbraw/zinc/64/80/49/535648049.db2.gz UYCPCTCYGFXXQQ-JQWIXIFHSA-N 2 2 228.336 0.999 20 0 BCADLP CCn1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000261553268 536057374 /nfs/dbraw/zinc/05/73/74/536057374.db2.gz NRTQMTHZXWGVQC-STQMWFEESA-N 2 2 234.347 0.944 20 0 BCADLP CCn1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000261553268 536057377 /nfs/dbraw/zinc/05/73/77/536057377.db2.gz NRTQMTHZXWGVQC-STQMWFEESA-N 2 2 234.347 0.944 20 0 BCADLP CC(C)[C@@H]([NH3+])CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000892018633 582762156 /nfs/dbraw/zinc/76/21/56/582762156.db2.gz MSQMMOHOFHYVGO-VIFPVBQESA-N 2 2 239.323 0.534 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000309105274 534438545 /nfs/dbraw/zinc/43/85/45/534438545.db2.gz HQOWUKLADLOCDL-KKOKHZNYSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000309105274 534438555 /nfs/dbraw/zinc/43/85/55/534438555.db2.gz HQOWUKLADLOCDL-KKOKHZNYSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494402327 534439568 /nfs/dbraw/zinc/43/95/68/534439568.db2.gz DOAXMBHSCLQKAJ-UTUOFQBUSA-N 2 2 234.347 0.738 20 0 BCADLP CC(C)(C)NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000261584150 534700283 /nfs/dbraw/zinc/70/02/83/534700283.db2.gz PMIARZABSSUCQI-UHFFFAOYSA-N 2 2 213.325 0.372 20 0 BCADLP CC(C)Cn1cc[nH+]c1CNC(=O)C[NH3+] ZINC000262655638 534911913 /nfs/dbraw/zinc/91/19/13/534911913.db2.gz CMMYSIDEIRHVRJ-UHFFFAOYSA-N 2 2 210.281 0.114 20 0 BCADLP C[NH2+]C1CC[NH+](Cc2c[nH]nc2C)CC1 ZINC000261547038 536440200 /nfs/dbraw/zinc/44/02/00/536440200.db2.gz LQCGYEVSCBFJLY-UHFFFAOYSA-N 2 2 208.309 0.902 20 0 BCADLP CC[NH2+]CCNC(=O)/C=C\c1[nH+]ccn1CC ZINC000493830602 528291759 /nfs/dbraw/zinc/29/17/59/528291759.db2.gz ZCMLAEWIAPEMFN-WAYWQWQTSA-N 2 2 236.319 0.642 20 0 BCADLP COCCOC[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000892567261 582915794 /nfs/dbraw/zinc/91/57/94/582915794.db2.gz RLFVFVPOKZAYTJ-NWDGAFQWSA-N 2 2 241.335 0.913 20 0 BCADLP CC[N@@H+]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492895727 529016786 /nfs/dbraw/zinc/01/67/86/529016786.db2.gz IKJTVRPDGZSDFK-PLNGDYQASA-N 2 2 248.330 0.977 20 0 BCADLP CC[N@H+]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492895727 529016791 /nfs/dbraw/zinc/01/67/91/529016791.db2.gz IKJTVRPDGZSDFK-PLNGDYQASA-N 2 2 248.330 0.977 20 0 BCADLP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261558873 535115532 /nfs/dbraw/zinc/11/55/32/535115532.db2.gz SVJFAOCALNCERY-AAEUAGOBSA-N 2 2 239.363 0.587 20 0 BCADLP CCCNC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261558873 535115535 /nfs/dbraw/zinc/11/55/35/535115535.db2.gz SVJFAOCALNCERY-AAEUAGOBSA-N 2 2 239.363 0.587 20 0 BCADLP CCNC(=O)[C@H]([NH2+]CCn1cc[nH+]c1)C(C)C ZINC000339313090 535408577 /nfs/dbraw/zinc/40/85/77/535408577.db2.gz CIJKXZUZUXAXKI-LLVKDONJSA-N 2 2 238.335 0.633 20 0 BCADLP CC[NH+](CC)CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262894842 535537619 /nfs/dbraw/zinc/53/76/19/535537619.db2.gz CVPHDFLRTBKVEQ-VIFPVBQESA-N 2 2 249.305 0.442 20 0 BCADLP CCn1nccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261550301 535870540 /nfs/dbraw/zinc/87/05/40/535870540.db2.gz LEZUPBYJIZDJKM-NWDGAFQWSA-N 2 2 234.347 0.944 20 0 BCADLP CCn1nccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261550301 535870545 /nfs/dbraw/zinc/87/05/45/535870545.db2.gz LEZUPBYJIZDJKM-NWDGAFQWSA-N 2 2 234.347 0.944 20 0 BCADLP C[NH2+][C@@H]1CCCN(Cc2c[nH+]cn2C)C1 ZINC000085170772 536363208 /nfs/dbraw/zinc/36/32/08/536363208.db2.gz ARZXUUVLLNKVHJ-SNVBAGLBSA-N 2 2 208.309 0.604 20 0 BCADLP CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)CC[NH2+]1 ZINC000335875378 538101496 /nfs/dbraw/zinc/10/14/96/538101496.db2.gz CMTFCLZCAAWHOA-UHFFFAOYSA-N 2 2 236.319 0.553 20 0 BCADLP CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)CC[NH2+]1 ZINC000335875378 538101500 /nfs/dbraw/zinc/10/15/00/538101500.db2.gz CMTFCLZCAAWHOA-UHFFFAOYSA-N 2 2 236.319 0.553 20 0 BCADLP COCC[N@H+](CCO)Cc1c(C)cc[nH+]c1N ZINC000893996111 583266960 /nfs/dbraw/zinc/26/69/60/583266960.db2.gz UJRGTSDRHHBSKE-UHFFFAOYSA-N 2 2 239.319 0.413 20 0 BCADLP COCC[N@@H+](CCO)Cc1c(C)cc[nH+]c1N ZINC000893996111 583266962 /nfs/dbraw/zinc/26/69/62/583266962.db2.gz UJRGTSDRHHBSKE-UHFFFAOYSA-N 2 2 239.319 0.413 20 0 BCADLP C([N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000853246272 588728476 /nfs/dbraw/zinc/72/84/76/588728476.db2.gz IZWVOKIAGXUEHY-RDBSUJKOSA-N 3 2 235.375 0.671 20 0 BCADLP C([N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000853246272 588728477 /nfs/dbraw/zinc/72/84/77/588728477.db2.gz IZWVOKIAGXUEHY-RDBSUJKOSA-N 3 2 235.375 0.671 20 0 BCADLP Cc1nc(N[C@H](CO)C[NH+](C)C)c(C)c(C)[nH+]1 ZINC000853623664 588750799 /nfs/dbraw/zinc/75/07/99/588750799.db2.gz CWEHKTJJKKVNND-NSHDSACASA-N 2 2 238.335 0.736 20 0 BCADLP CN(C)c1cc[nH+]c(N(C)CC2C[NH+](C)C2)n1 ZINC000853824580 588764740 /nfs/dbraw/zinc/76/47/40/588764740.db2.gz KJPVZQWNVNHLLB-UHFFFAOYSA-N 2 2 235.335 0.540 20 0 BCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(C)(C)F ZINC000855415151 588831994 /nfs/dbraw/zinc/83/19/94/588831994.db2.gz RMVITGRSZIWRTD-UHFFFAOYSA-N 2 2 247.358 0.734 20 0 BCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(C)(C)F ZINC000855415151 588831995 /nfs/dbraw/zinc/83/19/95/588831995.db2.gz RMVITGRSZIWRTD-UHFFFAOYSA-N 2 2 247.358 0.734 20 0 BCADLP CCCCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000843348654 582542758 /nfs/dbraw/zinc/54/27/58/582542758.db2.gz WDVKMBXXUQDOLH-QWRGUYRKSA-N 2 2 228.336 0.999 20 0 BCADLP CCCCOC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000843348654 582542760 /nfs/dbraw/zinc/54/27/60/582542760.db2.gz WDVKMBXXUQDOLH-QWRGUYRKSA-N 2 2 228.336 0.999 20 0 BCADLP OCc1c[nH+]ccc1NCCCn1cc[nH+]c1 ZINC000891409568 582680048 /nfs/dbraw/zinc/68/00/48/582680048.db2.gz UJJQOKZHDQLWNW-UHFFFAOYSA-N 2 2 232.287 0.695 20 0 BCADLP Cn1c[nH+]c(CNC(=O)NCCn2cc[nH+]c2)c1 ZINC000891558618 582696604 /nfs/dbraw/zinc/69/66/04/582696604.db2.gz RUJUZMDURYAPLO-UHFFFAOYSA-N 2 2 248.290 0.116 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)Nc1cc[nH+]cc1CO ZINC000891783913 582719924 /nfs/dbraw/zinc/71/99/24/582719924.db2.gz PBJHUPWVFKVPKE-JTQLQIEISA-N 2 2 232.287 0.693 20 0 BCADLP CC(C)[C@H]([NH3+])CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000892018632 582762851 /nfs/dbraw/zinc/76/28/51/582762851.db2.gz MSQMMOHOFHYVGO-SECBINFHSA-N 2 2 239.323 0.534 20 0 BCADLP C[C@@H](CCC[NH3+])NC(=O)NCc1c[nH+]cn1C ZINC000892140020 582799568 /nfs/dbraw/zinc/79/95/68/582799568.db2.gz GVRFSDJMFWDOAO-VIFPVBQESA-N 2 2 239.323 0.347 20 0 BCADLP COc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000892253203 582813946 /nfs/dbraw/zinc/81/39/46/582813946.db2.gz XZCDGBASJJXIBG-UWVGGRQHSA-N 2 2 222.288 0.939 20 0 BCADLP CCn1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(C)n1 ZINC000892251929 582814127 /nfs/dbraw/zinc/81/41/27/582814127.db2.gz MJDBEZDRJVFQBG-RYUDHWBXSA-N 2 2 234.347 0.863 20 0 BCADLP CC[NH+](CC)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000073643017 582825602 /nfs/dbraw/zinc/82/56/02/582825602.db2.gz DVIMZQHVWIXFCD-LLVKDONJSA-N 2 2 238.335 0.730 20 0 BCADLP CCNC(=[NH2+])NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849048263 582841686 /nfs/dbraw/zinc/84/16/86/582841686.db2.gz GZVHNZJOGVZXMC-MXWKQRLJSA-N 2 2 242.367 0.618 20 0 BCADLP CCNC(=[NH2+])NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849048263 582841687 /nfs/dbraw/zinc/84/16/87/582841687.db2.gz GZVHNZJOGVZXMC-MXWKQRLJSA-N 2 2 242.367 0.618 20 0 BCADLP COCCOC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000892720795 582968140 /nfs/dbraw/zinc/96/81/40/582968140.db2.gz GEEGDJGTBHVIRN-RYUDHWBXSA-N 2 2 230.352 0.722 20 0 BCADLP COCCOC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000892720795 582968142 /nfs/dbraw/zinc/96/81/42/582968142.db2.gz GEEGDJGTBHVIRN-RYUDHWBXSA-N 2 2 230.352 0.722 20 0 BCADLP CCn1ncc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000857084703 588886426 /nfs/dbraw/zinc/88/64/26/588886426.db2.gz XZRYLVLNERBNAJ-ZJUUUORDSA-N 2 2 223.324 0.467 20 0 BCADLP CCn1ncc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000857084703 588886427 /nfs/dbraw/zinc/88/64/27/588886427.db2.gz XZRYLVLNERBNAJ-ZJUUUORDSA-N 2 2 223.324 0.467 20 0 BCADLP CCn1ncc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)n1 ZINC000857087256 588886930 /nfs/dbraw/zinc/88/69/30/588886930.db2.gz RAVPHMKIKGALCY-LLVKDONJSA-N 2 2 237.351 0.776 20 0 BCADLP Cc1cc(N)nc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)[nH+]1 ZINC000893990773 583265956 /nfs/dbraw/zinc/26/59/56/583265956.db2.gz PAVMHHVRCXTGAK-AOOOYVTPSA-N 2 2 235.335 0.896 20 0 BCADLP Cc1ncoc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000894199636 583336396 /nfs/dbraw/zinc/33/63/96/583336396.db2.gz AYECZRQPDADLNK-LLVKDONJSA-N 2 2 239.319 0.529 20 0 BCADLP C[N@@H+]1CCC[C@H]2C[NH+](CN3CCC3=O)CC[C@@H]21 ZINC000857235534 588900042 /nfs/dbraw/zinc/90/00/42/588900042.db2.gz UIECFABLUZIKSD-RYUDHWBXSA-N 2 2 237.347 0.592 20 0 BCADLP C[N@H+]1CCC[C@H]2C[NH+](CN3CCC3=O)CC[C@@H]21 ZINC000857235534 588900044 /nfs/dbraw/zinc/90/00/44/588900044.db2.gz UIECFABLUZIKSD-RYUDHWBXSA-N 2 2 237.347 0.592 20 0 BCADLP C[NH+]1CCC[C@H]2C[N@H+](CN3CCC3=O)CC[C@@H]21 ZINC000857235534 588900045 /nfs/dbraw/zinc/90/00/45/588900045.db2.gz UIECFABLUZIKSD-RYUDHWBXSA-N 2 2 237.347 0.592 20 0 BCADLP C[NH+]1CCC[C@H]2C[N@@H+](CN3CCC3=O)CC[C@@H]21 ZINC000857235534 588900047 /nfs/dbraw/zinc/90/00/47/588900047.db2.gz UIECFABLUZIKSD-RYUDHWBXSA-N 2 2 237.347 0.592 20 0 BCADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)[C@@H](C)N1CCOCC1 ZINC000894245816 583389576 /nfs/dbraw/zinc/38/95/76/583389576.db2.gz DZGBAWWWVLDJPI-GHMZBOCLSA-N 2 2 238.335 0.609 20 0 BCADLP C[NH+](C)C1CC(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000857228347 588896473 /nfs/dbraw/zinc/89/64/73/588896473.db2.gz KCPYWFZUINQCSY-UHFFFAOYSA-N 2 2 236.319 0.551 20 0 BCADLP C[NH+](C)C1CC(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000857228347 588896474 /nfs/dbraw/zinc/89/64/74/588896474.db2.gz KCPYWFZUINQCSY-UHFFFAOYSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000747985497 583416914 /nfs/dbraw/zinc/41/69/14/583416914.db2.gz JQNYWXMTZJTHGT-NEPJUHHUSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000747985497 583416917 /nfs/dbraw/zinc/41/69/17/583416917.db2.gz JQNYWXMTZJTHGT-NEPJUHHUSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC000747985497 583416919 /nfs/dbraw/zinc/41/69/19/583416919.db2.gz JQNYWXMTZJTHGT-NEPJUHHUSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000747985497 583416920 /nfs/dbraw/zinc/41/69/20/583416920.db2.gz JQNYWXMTZJTHGT-NEPJUHHUSA-N 2 2 239.363 0.633 20 0 BCADLP CCNC(=O)N1CC[C@H]([NH2+]Cc2c[nH+]c[nH]2)C1 ZINC000894327521 583423476 /nfs/dbraw/zinc/42/34/76/583423476.db2.gz VHQXKACLESVOIY-VIFPVBQESA-N 2 2 237.307 0.303 20 0 BCADLP C[C@H]1CC[N@H+](CN2CCC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000857235233 588899303 /nfs/dbraw/zinc/89/93/03/588899303.db2.gz PQDVEMAFCJUPKK-RYUDHWBXSA-N 2 2 248.330 0.956 20 0 BCADLP C[C@H]1CC[N@@H+](CN2CCC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000857235233 588899305 /nfs/dbraw/zinc/89/93/05/588899305.db2.gz PQDVEMAFCJUPKK-RYUDHWBXSA-N 2 2 248.330 0.956 20 0 BCADLP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1c[nH+]c[nH]1 ZINC000894399002 583448776 /nfs/dbraw/zinc/44/87/76/583448776.db2.gz BWUVFENJTRGFTH-GFCCVEGCSA-N 3 2 240.351 0.856 20 0 BCADLP CNC(=O)CCC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880141445 583475371 /nfs/dbraw/zinc/47/53/71/583475371.db2.gz IMXODQIAWMGENI-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP CNC(=O)CCC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880141445 583475372 /nfs/dbraw/zinc/47/53/72/583475372.db2.gz IMXODQIAWMGENI-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP CNC(=O)CCC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880141445 583475373 /nfs/dbraw/zinc/47/53/73/583475373.db2.gz IMXODQIAWMGENI-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP CNC(=O)CCC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880141445 583475374 /nfs/dbraw/zinc/47/53/74/583475374.db2.gz IMXODQIAWMGENI-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@H+](C)CCOCCO ZINC000894672406 583503824 /nfs/dbraw/zinc/50/38/24/583503824.db2.gz QSXFPBWHWMXYCI-UHFFFAOYSA-N 2 2 239.319 0.413 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@@H+](C)CCOCCO ZINC000894672406 583503825 /nfs/dbraw/zinc/50/38/25/583503825.db2.gz QSXFPBWHWMXYCI-UHFFFAOYSA-N 2 2 239.319 0.413 20 0 BCADLP C[NH+](C)CCN(CC[NH+](C)C)Cc1c[nH+]c[nH]1 ZINC000894766818 583519244 /nfs/dbraw/zinc/51/92/44/583519244.db2.gz UVZYYXHFUIWXOA-UHFFFAOYSA-N 3 2 239.367 0.335 20 0 BCADLP C[NH+](C)CCN(CC[NH+](C)C)Cc1c[nH]c[nH+]1 ZINC000894766818 583519245 /nfs/dbraw/zinc/51/92/45/583519245.db2.gz UVZYYXHFUIWXOA-UHFFFAOYSA-N 3 2 239.367 0.335 20 0 BCADLP COCCOC[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000894843805 583530915 /nfs/dbraw/zinc/53/09/15/583530915.db2.gz RBTDWBHQDSQYNW-LLVKDONJSA-N 2 2 241.335 0.604 20 0 BCADLP CO[C@@H]1COCC[C@H]1C[NH2+]Cc1c[nH+]c[nH]1 ZINC000894889602 583547830 /nfs/dbraw/zinc/54/78/30/583547830.db2.gz VSMSVDJSKBCVAB-GXSJLCMTSA-N 2 2 225.292 0.551 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000894907295 583554391 /nfs/dbraw/zinc/55/43/91/583554391.db2.gz QVBFGLICVCOZIV-SNVBAGLBSA-N 2 2 234.303 0.422 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000894907295 583554392 /nfs/dbraw/zinc/55/43/92/583554392.db2.gz QVBFGLICVCOZIV-SNVBAGLBSA-N 2 2 234.303 0.422 20 0 BCADLP CC(=O)OC[C@@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000894956483 583558964 /nfs/dbraw/zinc/55/89/64/583558964.db2.gz QNEUGLXJVAABON-SECBINFHSA-N 2 2 214.309 0.622 20 0 BCADLP FC(F)CN1CC[C@@H]([NH2+]Cc2c[nH+]c[nH]2)C1 ZINC000895024409 583570592 /nfs/dbraw/zinc/57/05/92/583570592.db2.gz ASEIVTLIEZGWDC-MRVPVSSYSA-N 2 2 230.262 0.839 20 0 BCADLP FC(F)CN1CC[C@H]([NH2+]Cc2c[nH+]c[nH]2)C1 ZINC000895024410 583570644 /nfs/dbraw/zinc/57/06/44/583570644.db2.gz ASEIVTLIEZGWDC-QMMMGPOBSA-N 2 2 230.262 0.839 20 0 BCADLP C[C@@H](CNC(=O)NCc1cn(C)c[nH+]1)[NH+](C)C ZINC000895207791 583625954 /nfs/dbraw/zinc/62/59/54/583625954.db2.gz HTYMELFIGIDTEB-VIFPVBQESA-N 2 2 239.323 0.169 20 0 BCADLP CC1=NO[C@H](C[NH2+]C2CC[NH+](C)CC2)C1 ZINC000895308106 583646065 /nfs/dbraw/zinc/64/60/65/583646065.db2.gz IKGPVVVAIMUPHC-NSHDSACASA-N 2 2 211.309 0.835 20 0 BCADLP CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000895321294 583649522 /nfs/dbraw/zinc/64/95/22/583649522.db2.gz MHRHFSSKINAROR-NSHDSACASA-N 2 2 248.330 0.444 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)n1C ZINC000895325380 583650831 /nfs/dbraw/zinc/65/08/31/583650831.db2.gz PIODSIORNKNGAW-VXGBXAGGSA-N 2 2 239.319 0.046 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2C[C@H](O)C[C@]2(C)CO)n1C ZINC000895325380 583650832 /nfs/dbraw/zinc/65/08/32/583650832.db2.gz PIODSIORNKNGAW-VXGBXAGGSA-N 2 2 239.319 0.046 20 0 BCADLP C[N@H+](CC1C[NH+](C)C1)CC1CC[NH+](C)CC1 ZINC000895361989 583660854 /nfs/dbraw/zinc/66/08/54/583660854.db2.gz IHHFEVFIFYKNDX-UHFFFAOYSA-N 3 2 225.380 0.822 20 0 BCADLP C[N@@H+](CC1C[NH+](C)C1)CC1CC[NH+](C)CC1 ZINC000895361989 583660855 /nfs/dbraw/zinc/66/08/55/583660855.db2.gz IHHFEVFIFYKNDX-UHFFFAOYSA-N 3 2 225.380 0.822 20 0 BCADLP COC(=O)C1=CC[C@@H]([NH2+]Cc2c[nH+]c[nH]2)C1 ZINC000895390638 583663929 /nfs/dbraw/zinc/66/39/29/583663929.db2.gz OEUJJBGDWWQITJ-SECBINFHSA-N 2 2 221.260 0.761 20 0 BCADLP COC(=O)C1CC([NH2+]Cc2c[nH+]c[nH]2)C1 ZINC000895456097 583676860 /nfs/dbraw/zinc/67/68/60/583676860.db2.gz CDVVJGHAZKKGEI-UHFFFAOYSA-N 2 2 209.249 0.451 20 0 BCADLP C[N@@H+]1CC[C@@H]1CNc1nccn2c[nH+]cc12 ZINC000895768379 583724479 /nfs/dbraw/zinc/72/44/79/583724479.db2.gz YTJOZXMJYYSMTC-SECBINFHSA-N 2 2 217.276 0.845 20 0 BCADLP C[N@H+]1CC[C@@H]1CNc1nccn2c[nH+]cc12 ZINC000895768379 583724480 /nfs/dbraw/zinc/72/44/80/583724480.db2.gz YTJOZXMJYYSMTC-SECBINFHSA-N 2 2 217.276 0.845 20 0 BCADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCNC(=O)CC2)CC[N@@H+]1C ZINC000896555167 583811898 /nfs/dbraw/zinc/81/18/98/583811898.db2.gz NPMLHYCHJAQQBG-OUAUKWLOSA-N 2 2 225.336 0.337 20 0 BCADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCNC(=O)CC2)CC[N@H+]1C ZINC000896555167 583811899 /nfs/dbraw/zinc/81/18/99/583811899.db2.gz NPMLHYCHJAQQBG-OUAUKWLOSA-N 2 2 225.336 0.337 20 0 BCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccnc(F)c1 ZINC000858153743 588935916 /nfs/dbraw/zinc/93/59/16/588935916.db2.gz SBSOGOUHSFBEBI-LBPRGKRZSA-N 2 2 241.310 0.623 20 0 BCADLP CCO[C@H](C[NH2+]C1CSC1)C[NH+](C)C ZINC000896879922 583844887 /nfs/dbraw/zinc/84/48/87/583844887.db2.gz IUKSIILYPRKKSD-SNVBAGLBSA-N 2 2 218.366 0.658 20 0 BCADLP Cc1[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)C2)[nH+]c1C ZINC000896920839 583856316 /nfs/dbraw/zinc/85/63/16/583856316.db2.gz UFYBGPRXTRHIHW-SNVBAGLBSA-N 2 2 236.319 0.594 20 0 BCADLP Cc1[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH+]c1C ZINC000896920839 583856318 /nfs/dbraw/zinc/85/63/18/583856318.db2.gz UFYBGPRXTRHIHW-SNVBAGLBSA-N 2 2 236.319 0.594 20 0 BCADLP CONC(=O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000896927940 583859641 /nfs/dbraw/zinc/85/96/41/583859641.db2.gz VUYLVDUDOZUECF-UHFFFAOYSA-N 2 2 241.335 0.128 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+]C[C@@H]2CCCOC2)C1 ZINC000858339132 588947160 /nfs/dbraw/zinc/94/71/60/588947160.db2.gz OVTBRLPLPWPTMQ-RYUDHWBXSA-N 2 2 228.336 0.069 20 0 BCADLP O[C@H]1CC[N@@H+](CC[NH2+]C[C@@H]2CCCOC2)C1 ZINC000858339132 588947162 /nfs/dbraw/zinc/94/71/62/588947162.db2.gz OVTBRLPLPWPTMQ-RYUDHWBXSA-N 2 2 228.336 0.069 20 0 BCADLP CC[N@H+](CCC(=O)NC)Cc1c[nH+]c(C)n1C ZINC000897709694 584042146 /nfs/dbraw/zinc/04/21/46/584042146.db2.gz RJAIIXANSGOEEB-UHFFFAOYSA-N 2 2 238.335 0.687 20 0 BCADLP CC[N@@H+](CCC(=O)NC)Cc1c[nH+]c(C)n1C ZINC000897709694 584042147 /nfs/dbraw/zinc/04/21/47/584042147.db2.gz RJAIIXANSGOEEB-UHFFFAOYSA-N 2 2 238.335 0.687 20 0 BCADLP C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC000897896602 584058472 /nfs/dbraw/zinc/05/84/72/584058472.db2.gz URSGJHGNKPCEJC-NXEZZACHSA-N 2 2 248.330 0.772 20 0 BCADLP C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC000897896602 584058475 /nfs/dbraw/zinc/05/84/75/584058475.db2.gz URSGJHGNKPCEJC-NXEZZACHSA-N 2 2 248.330 0.772 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CC(CCO)C1 ZINC000898008817 584071237 /nfs/dbraw/zinc/07/12/37/584071237.db2.gz VVPDLKHXYICVID-YYJSSNLHSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CC(CCO)C1 ZINC000898008817 584071239 /nfs/dbraw/zinc/07/12/39/584071239.db2.gz VVPDLKHXYICVID-YYJSSNLHSA-N 2 2 212.337 0.687 20 0 BCADLP COC(=O)C1=CC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000858474104 588958453 /nfs/dbraw/zinc/95/84/53/588958453.db2.gz VHEQMKVVJUCXRM-DLOVCJGASA-N 2 2 238.331 0.788 20 0 BCADLP COC(=O)C1=CC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000858474104 588958454 /nfs/dbraw/zinc/95/84/54/588958454.db2.gz VHEQMKVVJUCXRM-DLOVCJGASA-N 2 2 238.331 0.788 20 0 BCADLP C[C@H](C(=O)N[C@H]1CCn2c[nH+]cc21)[NH+](C)C ZINC000898811851 584160023 /nfs/dbraw/zinc/16/00/23/584160023.db2.gz XSKOYMHCDWJKFK-BDAKNGLRSA-N 2 2 222.292 0.394 20 0 BCADLP C[C@@H](C[C@H]1CCOC1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000858546937 588963982 /nfs/dbraw/zinc/96/39/82/588963982.db2.gz BMMFJBGOTMOIPP-YNEHKIRRSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H](C[C@H]1CCOC1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000858546937 588963984 /nfs/dbraw/zinc/96/39/84/588963984.db2.gz BMMFJBGOTMOIPP-YNEHKIRRSA-N 2 2 242.363 0.458 20 0 BCADLP COCC[N@H+](C)CCNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899264805 584189020 /nfs/dbraw/zinc/18/90/20/584189020.db2.gz MCEBOGPQMKGTMB-SNVBAGLBSA-N 2 2 242.367 0.477 20 0 BCADLP COCC[N@@H+](C)CCNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899264805 584189021 /nfs/dbraw/zinc/18/90/21/584189021.db2.gz MCEBOGPQMKGTMB-SNVBAGLBSA-N 2 2 242.367 0.477 20 0 BCADLP O=C(NCCCn1cc[nH+]c1)C12CC[NH+](CC1)C2 ZINC000899920556 584254486 /nfs/dbraw/zinc/25/44/86/584254486.db2.gz KHSJENXAEYUCHP-UHFFFAOYSA-N 2 2 248.330 0.485 20 0 BCADLP C[C@H](CNC(=O)CNc1cccc[nH+]1)[NH+](C)C ZINC000900163408 584281390 /nfs/dbraw/zinc/28/13/90/584281390.db2.gz OZZFRUXRKQXVPG-SNVBAGLBSA-N 2 2 236.319 0.560 20 0 BCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC000900163971 584281787 /nfs/dbraw/zinc/28/17/87/584281787.db2.gz WJAANPXZJWSQIP-QMMMGPOBSA-N 2 2 210.281 0.019 20 0 BCADLP C[C@@H](CNC(=O)Cc1c[nH+]c[nH]1)[NH+](C)C ZINC000900163971 584281789 /nfs/dbraw/zinc/28/17/89/584281789.db2.gz WJAANPXZJWSQIP-QMMMGPOBSA-N 2 2 210.281 0.019 20 0 BCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[NH+](C2CC2)CC1 ZINC000900405242 584303587 /nfs/dbraw/zinc/30/35/87/584303587.db2.gz SZFHGKMLRWQUPK-UHFFFAOYSA-N 2 2 234.303 0.259 20 0 BCADLP CC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000900553004 584322397 /nfs/dbraw/zinc/32/23/97/584322397.db2.gz MLDKSQWPYIVTKX-UHFFFAOYSA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000900553004 584322398 /nfs/dbraw/zinc/32/23/98/584322398.db2.gz MLDKSQWPYIVTKX-UHFFFAOYSA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@H+](CCNC(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000900553004 584322400 /nfs/dbraw/zinc/32/24/00/584322400.db2.gz MLDKSQWPYIVTKX-UHFFFAOYSA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@@H+](CCNC(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000900553004 584322401 /nfs/dbraw/zinc/32/24/01/584322401.db2.gz MLDKSQWPYIVTKX-UHFFFAOYSA-N 2 2 236.319 0.553 20 0 BCADLP C[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900590966 584329405 /nfs/dbraw/zinc/32/94/05/584329405.db2.gz RAQNQPUECVCYSQ-VIFPVBQESA-N 2 2 222.292 0.163 20 0 BCADLP C[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900590966 584329408 /nfs/dbraw/zinc/32/94/08/584329408.db2.gz RAQNQPUECVCYSQ-VIFPVBQESA-N 2 2 222.292 0.163 20 0 BCADLP C[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900590966 584329410 /nfs/dbraw/zinc/32/94/10/584329410.db2.gz RAQNQPUECVCYSQ-VIFPVBQESA-N 2 2 222.292 0.163 20 0 BCADLP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902365345 584573350 /nfs/dbraw/zinc/57/33/50/584573350.db2.gz ZGRIWBZLOIEINE-RYUDHWBXSA-N 3 2 243.395 0.277 20 0 BCADLP C[N@@H+]1CC[C@H]([NH2+]CC2([NH3+])CC2)[C@@H]2CCC[C@@H]21 ZINC000902403601 584588239 /nfs/dbraw/zinc/58/82/39/584588239.db2.gz ADXBKRRBSLLXCP-SRVKXCTJSA-N 3 2 223.364 0.940 20 0 BCADLP C[N@H+]1CC[C@H]([NH2+]CC2([NH3+])CC2)[C@@H]2CCC[C@@H]21 ZINC000902403601 584588240 /nfs/dbraw/zinc/58/82/40/584588240.db2.gz ADXBKRRBSLLXCP-SRVKXCTJSA-N 3 2 223.364 0.940 20 0 BCADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CC1([NH3+])CC1 ZINC000902405535 584589381 /nfs/dbraw/zinc/58/93/81/584589381.db2.gz IOLYHWFBGQMWDU-JTQLQIEISA-N 2 2 220.320 0.878 20 0 BCADLP Cn1ncc2c1CCC[C@H]2[NH2+]CC1([NH3+])CC1 ZINC000902418718 584591745 /nfs/dbraw/zinc/59/17/45/584591745.db2.gz YRUARZRVJGEXNH-SNVBAGLBSA-N 2 2 220.320 0.878 20 0 BCADLP C([NH2+][C@@H]1C[NH2+]CCOC1)[C@@H]1CC[C@H](C2CC2)O1 ZINC000902431662 584595456 /nfs/dbraw/zinc/59/54/56/584595456.db2.gz TXFLZWVFGLYXDT-FRRDWIJNSA-N 2 2 240.347 0.522 20 0 BCADLP C1C[C@H]2CC([NH2+][C@H]3C[NH2+]CCOC3)C[C@@H]1S2 ZINC000902442279 584597916 /nfs/dbraw/zinc/59/79/16/584597916.db2.gz BANZQWGOCBCCNT-HSTDOPHLSA-N 2 2 242.388 0.991 20 0 BCADLP CC[C@@H]([NH2+]CC1([NH3+])CC1)c1nccn1C ZINC000902413426 584599420 /nfs/dbraw/zinc/59/94/20/584599420.db2.gz LODSVIJYMSAFBV-SECBINFHSA-N 2 2 208.309 0.952 20 0 BCADLP CC[C@@H](NCC1([NH3+])CC1)c1[nH+]ccn1C ZINC000902413426 584599422 /nfs/dbraw/zinc/59/94/22/584599422.db2.gz LODSVIJYMSAFBV-SECBINFHSA-N 2 2 208.309 0.952 20 0 BCADLP CC[C@H]([NH2+]CC1([NH3+])CC1)c1nccn1C ZINC000902413428 584599844 /nfs/dbraw/zinc/59/98/44/584599844.db2.gz LODSVIJYMSAFBV-VIFPVBQESA-N 2 2 208.309 0.952 20 0 BCADLP CC[C@H](NCC1([NH3+])CC1)c1[nH+]ccn1C ZINC000902413428 584599845 /nfs/dbraw/zinc/59/98/45/584599845.db2.gz LODSVIJYMSAFBV-VIFPVBQESA-N 2 2 208.309 0.952 20 0 BCADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cnn(C)c1 ZINC000902475313 584602915 /nfs/dbraw/zinc/60/29/15/584602915.db2.gz IFDKDDGSIGVVKD-ZDDJMSTPSA-N 2 2 220.320 0.964 20 0 BCADLP C[C@@H](NCc1cn(C)c[nH+]1)[C@@H]1CCC[NH2+]1 ZINC000902459596 584610887 /nfs/dbraw/zinc/61/08/87/584610887.db2.gz CVDTWMIPKLGADM-KOLCDFICSA-N 2 2 208.309 0.650 20 0 BCADLP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461253 584611740 /nfs/dbraw/zinc/61/17/40/584611740.db2.gz NFKNZTYZHMWRSZ-IYKVGLELSA-N 3 2 209.337 0.596 20 0 BCADLP Cn1c[nH+]c(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c1 ZINC000902462130 584612017 /nfs/dbraw/zinc/61/20/17/584612017.db2.gz SZCRFBFWKZZSBA-MNSQCTGESA-N 2 2 232.331 0.506 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cn(C)cn1 ZINC000902462969 584612162 /nfs/dbraw/zinc/61/21/62/584612162.db2.gz YGVFKBIAHPWDJW-GHMZBOCLSA-N 2 2 238.335 0.277 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1NCc1cn(C)c[nH+]1 ZINC000902462343 584612446 /nfs/dbraw/zinc/61/24/46/584612446.db2.gz UWJUVBFGHUHUGK-GXSJLCMTSA-N 2 2 208.309 0.650 20 0 BCADLP Cn1c[nH+]c(CN[C@@H]2CC[NH2+]C2(C)C)c1 ZINC000902463212 584612576 /nfs/dbraw/zinc/61/25/76/584612576.db2.gz ZVSOGWXGINXGOG-SNVBAGLBSA-N 2 2 208.309 0.650 20 0 BCADLP C[C@@H]([NH2+]Cc1csc(N)n1)C1C[NH2+]C1 ZINC000902501535 584620970 /nfs/dbraw/zinc/62/09/70/584620970.db2.gz PXYFRCBXSKDTPU-ZCFIWIBFSA-N 2 2 212.322 0.423 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC[C@H](O)C1CC1 ZINC000902504286 584621289 /nfs/dbraw/zinc/62/12/89/584621289.db2.gz NGZOECXRFUCJDC-RTXFEEFZSA-N 2 2 242.363 0.504 20 0 BCADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000903129356 584730131 /nfs/dbraw/zinc/73/01/31/584730131.db2.gz UFPRKXXNBBGGSG-WISYIIOYSA-N 2 2 240.347 0.868 20 0 BCADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000903129356 584730133 /nfs/dbraw/zinc/73/01/33/584730133.db2.gz UFPRKXXNBBGGSG-WISYIIOYSA-N 2 2 240.347 0.868 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]1C)c1ccc(=O)[nH]n1 ZINC000903302152 584744798 /nfs/dbraw/zinc/74/47/98/584744798.db2.gz WZJXGJUUHGPMIN-ATZCPNFKSA-N 2 2 236.319 0.925 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]1C)c1ccc(=O)[nH]n1 ZINC000903302152 584744799 /nfs/dbraw/zinc/74/47/99/584744799.db2.gz WZJXGJUUHGPMIN-ATZCPNFKSA-N 2 2 236.319 0.925 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000903426876 584760969 /nfs/dbraw/zinc/76/09/69/584760969.db2.gz RJANRGABXLRGOY-SCVCMEIPSA-N 3 2 211.353 0.559 20 0 BCADLP c1ncn([C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]3)C2)n1 ZINC000903457722 584765077 /nfs/dbraw/zinc/76/50/77/584765077.db2.gz ZNOSQXHLAWGZST-GHMZBOCLSA-N 2 2 221.308 0.277 20 0 BCADLP c1ncn([C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]3)C2)n1 ZINC000903457722 584765079 /nfs/dbraw/zinc/76/50/79/584765079.db2.gz ZNOSQXHLAWGZST-GHMZBOCLSA-N 2 2 221.308 0.277 20 0 BCADLP CON1CC[C@H]([N@H+](C)CC[C@H]([NH3+])C(C)C)C1=O ZINC000903424844 584765405 /nfs/dbraw/zinc/76/54/05/584765405.db2.gz ITYOUFLWTNWWJG-QWRGUYRKSA-N 2 2 243.351 0.454 20 0 BCADLP CON1CC[C@H]([N@@H+](C)CC[C@H]([NH3+])C(C)C)C1=O ZINC000903424844 584765406 /nfs/dbraw/zinc/76/54/06/584765406.db2.gz ITYOUFLWTNWWJG-QWRGUYRKSA-N 2 2 243.351 0.454 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000903425033 584765557 /nfs/dbraw/zinc/76/55/57/584765557.db2.gz PCBAKNLYLPLKCY-WISYIIOYSA-N 3 2 211.353 0.511 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000903425033 584765559 /nfs/dbraw/zinc/76/55/59/584765559.db2.gz PCBAKNLYLPLKCY-WISYIIOYSA-N 3 2 211.353 0.511 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(CC(F)F)CC1 ZINC000903442665 584768101 /nfs/dbraw/zinc/76/81/01/584768101.db2.gz WYAFOXGCNNAUSU-MNOVXSKESA-N 2 2 247.333 0.725 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)Cc1cc[nH]n1 ZINC000903444762 584769528 /nfs/dbraw/zinc/76/95/28/584769528.db2.gz VTUFVUSQENLYMT-ZJUUUORDSA-N 2 2 208.309 0.697 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)Cc1cc[nH]n1 ZINC000903444762 584769529 /nfs/dbraw/zinc/76/95/29/584769529.db2.gz VTUFVUSQENLYMT-ZJUUUORDSA-N 2 2 208.309 0.697 20 0 BCADLP CON1CC[C@H]([NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)C1=O ZINC000903455295 584774002 /nfs/dbraw/zinc/77/40/02/584774002.db2.gz SLQMSCGGOAVXAX-VPOLOUISSA-N 2 2 241.335 0.125 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903469827 584774907 /nfs/dbraw/zinc/77/49/07/584774907.db2.gz YEPNBYHBXNWLLZ-VHSXEESVSA-N 2 2 225.336 0.385 20 0 BCADLP CCN1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1=O ZINC000903472019 584775880 /nfs/dbraw/zinc/77/58/80/584775880.db2.gz PGVLBXYQQIVSJL-GHMZBOCLSA-N 2 2 237.347 0.481 20 0 BCADLP CCN1CC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1=O ZINC000903472022 584775918 /nfs/dbraw/zinc/77/59/18/584775918.db2.gz PGVLBXYQQIVSJL-WDEREUQCSA-N 2 2 237.347 0.481 20 0 BCADLP COC[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)OC ZINC000903472776 584776126 /nfs/dbraw/zinc/77/61/26/584776126.db2.gz WMGQKUOETFSABV-GHMZBOCLSA-N 2 2 228.336 0.522 20 0 BCADLP CC1(C)C[C@H](O)C[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903475976 584777040 /nfs/dbraw/zinc/77/70/40/584777040.db2.gz JMYUFICGNIWMFJ-MNOVXSKESA-N 2 2 212.337 0.831 20 0 BCADLP CC1(C)C[C@H](O)C[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903475976 584777041 /nfs/dbraw/zinc/77/70/41/584777041.db2.gz JMYUFICGNIWMFJ-MNOVXSKESA-N 2 2 212.337 0.831 20 0 BCADLP COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903482713 584779118 /nfs/dbraw/zinc/77/91/18/584779118.db2.gz QILLAEMHSUXUKX-RCWTZXSCSA-N 2 2 244.310 0.699 20 0 BCADLP COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903482713 584779119 /nfs/dbraw/zinc/77/91/19/584779119.db2.gz QILLAEMHSUXUKX-RCWTZXSCSA-N 2 2 244.310 0.699 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C(=O)NC1CC1 ZINC000903465041 584779248 /nfs/dbraw/zinc/77/92/48/584779248.db2.gz DHXRDYNZQTWIPN-GXSJLCMTSA-N 2 2 237.347 0.528 20 0 BCADLP CCNC(=O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903484876 584779652 /nfs/dbraw/zinc/77/96/52/584779652.db2.gz XKUFZWBCEDKQBC-JTQLQIEISA-N 2 2 225.336 0.387 20 0 BCADLP C[C@H](CN1CCOCC1)[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903558125 584782961 /nfs/dbraw/zinc/78/29/61/584782961.db2.gz VPHJNJHPSBBCFX-VXGBXAGGSA-N 2 2 241.379 0.376 20 0 BCADLP C[C@H](CN1CCOCC1)[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903558125 584782963 /nfs/dbraw/zinc/78/29/63/584782963.db2.gz VPHJNJHPSBBCFX-VXGBXAGGSA-N 2 2 241.379 0.376 20 0 BCADLP CN1CCC[C@H]([N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)C1=O ZINC000903557833 584783021 /nfs/dbraw/zinc/78/30/21/584783021.db2.gz RYNJQPIQIJIPBX-VHSXEESVSA-N 2 2 225.336 0.276 20 0 BCADLP CN1CCC[C@H]([N@H+]2C[C@@H]([NH3+])C(C)(C)C2)C1=O ZINC000903557833 584783022 /nfs/dbraw/zinc/78/30/22/584783022.db2.gz RYNJQPIQIJIPBX-VHSXEESVSA-N 2 2 225.336 0.276 20 0 BCADLP CC1(C)C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H]1[NH3+] ZINC000903557318 584783310 /nfs/dbraw/zinc/78/33/10/584783310.db2.gz NORLXDQPGZVJNM-GHMZBOCLSA-N 3 2 239.363 0.177 20 0 BCADLP CCn1cc(C[NH2+][C@@](C)(C[NH3+])C(C)C)nn1 ZINC000903717366 584792037 /nfs/dbraw/zinc/79/20/37/584792037.db2.gz PCQZEOARFUBOLN-NSHDSACASA-N 2 2 225.340 0.761 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717042 584792364 /nfs/dbraw/zinc/79/23/64/584792364.db2.gz XSFJRORIOWECCT-WOPDTQHZSA-N 3 2 227.352 0.034 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717042 584792365 /nfs/dbraw/zinc/79/23/65/584792365.db2.gz XSFJRORIOWECCT-WOPDTQHZSA-N 3 2 227.352 0.034 20 0 BCADLP [NH3+][C@H]1CC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903712857 584793476 /nfs/dbraw/zinc/79/34/76/584793476.db2.gz AIUNUQYWHIUKBO-NWDGAFQWSA-N 3 2 239.363 0.178 20 0 BCADLP [NH3+][C@H]1CC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903712857 584793478 /nfs/dbraw/zinc/79/34/78/584793478.db2.gz AIUNUQYWHIUKBO-NWDGAFQWSA-N 3 2 239.363 0.178 20 0 BCADLP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[NH2+]CC1 ZINC000903713211 584793643 /nfs/dbraw/zinc/79/36/43/584793643.db2.gz IMXNPPGGQFQLOX-QWHCGFSZSA-N 3 2 239.363 0.050 20 0 BCADLP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[NH2+]CC1 ZINC000903713211 584793644 /nfs/dbraw/zinc/79/36/44/584793644.db2.gz IMXNPPGGQFQLOX-QWHCGFSZSA-N 3 2 239.363 0.050 20 0 BCADLP C[NH2+]CCC[N@H+](C)Cc1cnn(CCF)c1 ZINC000903761330 584796990 /nfs/dbraw/zinc/79/69/90/584796990.db2.gz PYHHXRKLDWIWEH-UHFFFAOYSA-N 2 2 228.315 0.894 20 0 BCADLP C[NH2+]CCC[N@@H+](C)Cc1cnn(CCF)c1 ZINC000903761330 584796992 /nfs/dbraw/zinc/79/69/92/584796992.db2.gz PYHHXRKLDWIWEH-UHFFFAOYSA-N 2 2 228.315 0.894 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903774922 584799001 /nfs/dbraw/zinc/79/90/01/584799001.db2.gz CECRWCRRDDOCIC-RYUDHWBXSA-N 3 2 241.379 0.424 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903774922 584799002 /nfs/dbraw/zinc/79/90/02/584799002.db2.gz CECRWCRRDDOCIC-RYUDHWBXSA-N 3 2 241.379 0.424 20 0 BCADLP [NH3+]CC[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903792672 584799139 /nfs/dbraw/zinc/79/91/39/584799139.db2.gz FOAPMQPAJUZRLX-UHFFFAOYSA-N 3 2 233.359 0.938 20 0 BCADLP COCCOCC[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903798264 584801755 /nfs/dbraw/zinc/80/17/55/584801755.db2.gz MVKYASRUPGZVSR-QWHCGFSZSA-N 2 2 242.363 0.853 20 0 BCADLP COCCOCC[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903798264 584801756 /nfs/dbraw/zinc/80/17/56/584801756.db2.gz MVKYASRUPGZVSR-QWHCGFSZSA-N 2 2 242.363 0.853 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCOC[C@H]1C[C@H]1CCCO1 ZINC000903823196 584804509 /nfs/dbraw/zinc/80/45/09/584804509.db2.gz CXUPETRFRHORSG-CHWSQXEVSA-N 2 2 242.363 0.866 20 0 BCADLP C[NH2+]CCC[N@H+]1CCOC[C@H]1C[C@H]1CCCO1 ZINC000903823196 584804510 /nfs/dbraw/zinc/80/45/10/584804510.db2.gz CXUPETRFRHORSG-CHWSQXEVSA-N 2 2 242.363 0.866 20 0 BCADLP COCC[C@H]1C[NH2+]CCN1Cc1c[nH+]cn1C ZINC000903836665 584806499 /nfs/dbraw/zinc/80/64/99/584806499.db2.gz RKOXNPVHMLSGQC-NSHDSACASA-N 2 2 238.335 0.230 20 0 BCADLP O[C@@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C[C@H]1F ZINC000903838541 584806894 /nfs/dbraw/zinc/80/68/94/584806894.db2.gz CECKNERKUWLXCI-QJPTWQEYSA-N 2 2 230.327 0.781 20 0 BCADLP O[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C[C@H]1F ZINC000903838541 584806895 /nfs/dbraw/zinc/80/68/95/584806895.db2.gz CECKNERKUWLXCI-QJPTWQEYSA-N 2 2 230.327 0.781 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903853556 584808032 /nfs/dbraw/zinc/80/80/32/584808032.db2.gz FXUOGYCLFNPAQJ-WCQYABFASA-N 2 2 239.363 0.668 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903853556 584808033 /nfs/dbraw/zinc/80/80/33/584808033.db2.gz FXUOGYCLFNPAQJ-WCQYABFASA-N 2 2 239.363 0.668 20 0 BCADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2C[C@@H]1CC[NH2+]C1 ZINC000903849623 584808182 /nfs/dbraw/zinc/80/81/82/584808182.db2.gz FKRSICZGZZERTK-GRYCIOLGSA-N 3 2 209.337 0.409 20 0 BCADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2C[C@@H]1CC[NH2+]C1 ZINC000903849623 584808183 /nfs/dbraw/zinc/80/81/83/584808183.db2.gz FKRSICZGZZERTK-GRYCIOLGSA-N 3 2 209.337 0.409 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903856075 584808959 /nfs/dbraw/zinc/80/89/59/584808959.db2.gz QFMFCMBBMSARMP-ZYHUDNBSSA-N 2 2 225.336 0.324 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903856075 584808961 /nfs/dbraw/zinc/80/89/61/584808961.db2.gz QFMFCMBBMSARMP-ZYHUDNBSSA-N 2 2 225.336 0.324 20 0 BCADLP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCN1CCCC1=O ZINC000903856930 584810127 /nfs/dbraw/zinc/81/01/27/584810127.db2.gz STOLYPBSGBIRND-AAEUAGOBSA-N 2 2 237.347 0.422 20 0 BCADLP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCN1CCCC1=O ZINC000903856930 584810128 /nfs/dbraw/zinc/81/01/28/584810128.db2.gz STOLYPBSGBIRND-AAEUAGOBSA-N 2 2 237.347 0.422 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903857001 584810444 /nfs/dbraw/zinc/81/04/44/584810444.db2.gz BTPALCMDNYTZPU-AAEUAGOBSA-N 3 2 234.347 0.776 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903857001 584810445 /nfs/dbraw/zinc/81/04/45/584810445.db2.gz BTPALCMDNYTZPU-AAEUAGOBSA-N 3 2 234.347 0.776 20 0 BCADLP Cn1c[nH+]cc1CCN1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903857001 584810446 /nfs/dbraw/zinc/81/04/46/584810446.db2.gz BTPALCMDNYTZPU-AAEUAGOBSA-N 2 2 234.347 0.776 20 0 BCADLP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CC(=O)N1CCCC1 ZINC000903859233 584810736 /nfs/dbraw/zinc/81/07/36/584810736.db2.gz LSCXOELHGXBOBL-AAEUAGOBSA-N 2 2 237.347 0.422 20 0 BCADLP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CC(=O)N1CCCC1 ZINC000903859233 584810737 /nfs/dbraw/zinc/81/07/37/584810737.db2.gz LSCXOELHGXBOBL-AAEUAGOBSA-N 2 2 237.347 0.422 20 0 BCADLP CSC[C@H](O)C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869334 584814275 /nfs/dbraw/zinc/81/42/75/584814275.db2.gz HCBJBKZRJMKGIF-GHMZBOCLSA-N 2 2 230.377 0.538 20 0 BCADLP CSC[C@H](O)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869334 584814276 /nfs/dbraw/zinc/81/42/76/584814276.db2.gz HCBJBKZRJMKGIF-GHMZBOCLSA-N 2 2 230.377 0.538 20 0 BCADLP CCOC[C@H](O)C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869269 584814701 /nfs/dbraw/zinc/81/47/01/584814701.db2.gz FTKRTLXIDIBTHJ-VXGBXAGGSA-N 2 2 228.336 0.212 20 0 BCADLP CCOC[C@H](O)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869269 584814702 /nfs/dbraw/zinc/81/47/02/584814702.db2.gz FTKRTLXIDIBTHJ-VXGBXAGGSA-N 2 2 228.336 0.212 20 0 BCADLP CCOCC[C@@H](O)C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869859 584814830 /nfs/dbraw/zinc/81/48/30/584814830.db2.gz JPJBXIGLHQLPTJ-CHWSQXEVSA-N 2 2 242.363 0.602 20 0 BCADLP CCOCC[C@@H](O)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869859 584814831 /nfs/dbraw/zinc/81/48/31/584814831.db2.gz JPJBXIGLHQLPTJ-CHWSQXEVSA-N 2 2 242.363 0.602 20 0 BCADLP COC[C@@H](C[N@@H+]1CCC[C@@]12CC[NH2+]C2)OC ZINC000903871834 584815258 /nfs/dbraw/zinc/81/52/58/584815258.db2.gz WFKNIDMROOEDBL-NEPJUHHUSA-N 2 2 228.336 0.476 20 0 BCADLP COC[C@@H](C[N@H+]1CCC[C@@]12CC[NH2+]C2)OC ZINC000903871834 584815259 /nfs/dbraw/zinc/81/52/59/584815259.db2.gz WFKNIDMROOEDBL-NEPJUHHUSA-N 2 2 228.336 0.476 20 0 BCADLP C[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)[C@H]1CO ZINC000903909735 584821585 /nfs/dbraw/zinc/82/15/85/584821585.db2.gz YFHQNBVOZLWGDL-HLTSFMKQSA-N 2 2 222.279 0.672 20 0 BCADLP C[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)[C@H]1CO ZINC000903909735 584821587 /nfs/dbraw/zinc/82/15/87/584821587.db2.gz YFHQNBVOZLWGDL-HLTSFMKQSA-N 2 2 222.279 0.672 20 0 BCADLP CC1(C)C[N@H+](C[C@H]([NH3+])CC(F)F)C[C@H]1O ZINC000903912213 584822322 /nfs/dbraw/zinc/82/23/22/584822322.db2.gz BPZRJSCOUHZTRH-HTQZYQBOSA-N 2 2 222.279 0.672 20 0 BCADLP CC1(C)C[N@@H+](C[C@H]([NH3+])CC(F)F)C[C@H]1O ZINC000903912213 584822324 /nfs/dbraw/zinc/82/23/24/584822324.db2.gz BPZRJSCOUHZTRH-HTQZYQBOSA-N 2 2 222.279 0.672 20 0 BCADLP C[C@H](C[NH3+])[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903918740 584822870 /nfs/dbraw/zinc/82/28/70/584822870.db2.gz GSLTXHJGFZSFFC-SNVBAGLBSA-N 3 2 219.332 0.769 20 0 BCADLP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)CC(F)F ZINC000903920577 584823411 /nfs/dbraw/zinc/82/34/11/584823411.db2.gz WCNQDSCVLKORSP-XHNCKOQMSA-N 3 2 221.295 0.828 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C[C@@H]([NH3+])CC(F)F ZINC000903933130 584825255 /nfs/dbraw/zinc/82/52/55/584825255.db2.gz YREPWHVALZCQNH-ZETCQYMHSA-N 2 2 218.251 0.824 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C[C@@H]([NH3+])CC(F)F ZINC000903933130 584825256 /nfs/dbraw/zinc/82/52/56/584825256.db2.gz YREPWHVALZCQNH-ZETCQYMHSA-N 2 2 218.251 0.824 20 0 BCADLP C[NH2+]CCOCC[N@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903935125 584825845 /nfs/dbraw/zinc/82/58/45/584825845.db2.gz NQLQDNFUQTZLPS-VIFPVBQESA-N 3 2 239.310 0.137 20 0 BCADLP C[C@H]1OCC[C@H]1[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903949872 584830586 /nfs/dbraw/zinc/83/05/86/584830586.db2.gz FZNQVYOTQGQUMW-LDYMZIIASA-N 2 2 207.277 0.931 20 0 BCADLP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](CC(C)(C)[NH3+])C[C@@H]21 ZINC000903985909 584835690 /nfs/dbraw/zinc/83/56/90/584835690.db2.gz CFXKXTSPEQOAKU-OUAUKWLOSA-N 2 2 240.347 0.855 20 0 BCADLP CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](CC(C)(C)[NH3+])C[C@@H]21 ZINC000903985909 584835691 /nfs/dbraw/zinc/83/56/91/584835691.db2.gz CFXKXTSPEQOAKU-OUAUKWLOSA-N 2 2 240.347 0.855 20 0 BCADLP C[C@@]1(C[N@@H+]2CC[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904300019 584860866 /nfs/dbraw/zinc/86/08/66/584860866.db2.gz UKBJMZBEXMAEJW-VXGBXAGGSA-N 3 2 211.353 0.657 20 0 BCADLP C[C@@]1(C[N@H+]2CC[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904300019 584860867 /nfs/dbraw/zinc/86/08/67/584860867.db2.gz UKBJMZBEXMAEJW-VXGBXAGGSA-N 3 2 211.353 0.657 20 0 BCADLP C[N@H+](Cc1ccc(C[NH3+])cc1)[C@H]1CC[NH2+]C1 ZINC000904299750 584860889 /nfs/dbraw/zinc/86/08/89/584860889.db2.gz NJWYTLSHLJACKM-ZDUSSCGKSA-N 3 2 219.332 0.939 20 0 BCADLP C[N@@H+](Cc1ccc(C[NH3+])cc1)[C@H]1CC[NH2+]C1 ZINC000904299750 584860890 /nfs/dbraw/zinc/86/08/90/584860890.db2.gz NJWYTLSHLJACKM-ZDUSSCGKSA-N 3 2 219.332 0.939 20 0 BCADLP C[N@H+](Cc1ccc(N)nn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904300129 584861556 /nfs/dbraw/zinc/86/15/56/584861556.db2.gz WUUNJPCZCXHVFQ-DHHPTOIESA-N 2 2 247.346 0.774 20 0 BCADLP C[N@@H+](Cc1ccc(N)nn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904300129 584861558 /nfs/dbraw/zinc/86/15/58/584861558.db2.gz WUUNJPCZCXHVFQ-DHHPTOIESA-N 2 2 247.346 0.774 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](Cc2ccc(C[NH3+])cc2)CCO1 ZINC000904302386 584862244 /nfs/dbraw/zinc/86/22/44/584862244.db2.gz VENAMICYLXNKHT-RISCZKNCSA-N 3 2 249.358 0.693 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)CCO1 ZINC000904302386 584862245 /nfs/dbraw/zinc/86/22/45/584862245.db2.gz VENAMICYLXNKHT-RISCZKNCSA-N 3 2 249.358 0.693 20 0 BCADLP C[C@]1(C[NH2+]C[C@H]([NH3+])C2CC2)CCC[NH2+]C1 ZINC000904355728 584871284 /nfs/dbraw/zinc/87/12/84/584871284.db2.gz QWVHZJICDOGQCB-RYUDHWBXSA-N 3 2 211.353 0.703 20 0 BCADLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1 ZINC000904355763 584871364 /nfs/dbraw/zinc/87/13/64/584871364.db2.gz RVTLOPBLDUTZGS-JTQLQIEISA-N 3 2 238.335 0.126 20 0 BCADLP C[C@]1(C[NH2+]C[C@@H]2C[NH2+]CCCO2)CCC[NH2+]C1 ZINC000904357723 584872212 /nfs/dbraw/zinc/87/22/12/584872212.db2.gz ANMRJVWTGUFTHO-STQMWFEESA-N 3 2 241.379 0.344 20 0 BCADLP [NH3+]CC1CC([NH2+]CCCn2cc[nH+]c2)C1 ZINC000904367521 584872834 /nfs/dbraw/zinc/87/28/34/584872834.db2.gz DMIFIYUWPWPTGD-UHFFFAOYSA-N 3 2 208.309 0.600 20 0 BCADLP C[NH2+]CCC[N@H+](C)Cc1ccc(N)nn1 ZINC000904372717 584873821 /nfs/dbraw/zinc/87/38/21/584873821.db2.gz HQZLHKHIKALULM-UHFFFAOYSA-N 2 2 209.297 0.100 20 0 BCADLP C[NH2+]CCC[N@@H+](C)Cc1ccc(N)nn1 ZINC000904372717 584873822 /nfs/dbraw/zinc/87/38/22/584873822.db2.gz HQZLHKHIKALULM-UHFFFAOYSA-N 2 2 209.297 0.100 20 0 BCADLP C[C@H](O)[C@@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000904373503 584873956 /nfs/dbraw/zinc/87/39/56/584873956.db2.gz RJWPXPNPVQMQKN-RWMBFGLXSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H](O)[C@@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000904373503 584873957 /nfs/dbraw/zinc/87/39/57/584873957.db2.gz RJWPXPNPVQMQKN-RWMBFGLXSA-N 2 2 242.363 0.458 20 0 BCADLP Nc1ccc(C[NH2+]CC2([NH3+])CCCC2)nn1 ZINC000904377501 584876305 /nfs/dbraw/zinc/87/63/05/584876305.db2.gz RJPFLMKJNYABQK-UHFFFAOYSA-N 2 2 221.308 0.420 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(N)nn3)CC[C@@H]21 ZINC000904385209 584877874 /nfs/dbraw/zinc/87/78/74/584877874.db2.gz VFQFTPCXJLGGHF-PWSUYJOCSA-N 2 2 247.346 0.585 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(N)nn3)CC[C@@H]21 ZINC000904385209 584877875 /nfs/dbraw/zinc/87/78/75/584877875.db2.gz VFQFTPCXJLGGHF-PWSUYJOCSA-N 2 2 247.346 0.585 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(N)nn3)CC[C@@H]21 ZINC000904385209 584877876 /nfs/dbraw/zinc/87/78/76/584877876.db2.gz VFQFTPCXJLGGHF-PWSUYJOCSA-N 2 2 247.346 0.585 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(N)nn3)CC[C@@H]21 ZINC000904385209 584877877 /nfs/dbraw/zinc/87/78/77/584877877.db2.gz VFQFTPCXJLGGHF-PWSUYJOCSA-N 2 2 247.346 0.585 20 0 BCADLP C[NH2+]CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000884023300 584898762 /nfs/dbraw/zinc/89/87/62/584898762.db2.gz IFAHMKZJXHTDOB-UHFFFAOYSA-N 2 2 224.308 0.262 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CCC(=O)O1 ZINC000821395985 585016186 /nfs/dbraw/zinc/01/61/86/585016186.db2.gz DJCQBLOZYZXXMR-NSHDSACASA-N 2 2 237.303 0.911 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CCC(=O)O1 ZINC000821395985 585016187 /nfs/dbraw/zinc/01/61/87/585016187.db2.gz DJCQBLOZYZXXMR-NSHDSACASA-N 2 2 237.303 0.911 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@H+](CN2CCCC2=O)C1 ZINC000738227753 585042056 /nfs/dbraw/zinc/04/20/56/585042056.db2.gz OTEJTGFFLLGDBH-NSHDSACASA-N 2 2 225.336 0.450 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CN2CCCC2=O)C1 ZINC000738227753 585042057 /nfs/dbraw/zinc/04/20/57/585042057.db2.gz OTEJTGFFLLGDBH-NSHDSACASA-N 2 2 225.336 0.450 20 0 BCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839201505 585099453 /nfs/dbraw/zinc/09/94/53/585099453.db2.gz MOHGJSWBIJAYSD-SRVKXCTJSA-N 2 2 242.388 0.633 20 0 BCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839201505 585099454 /nfs/dbraw/zinc/09/94/54/585099454.db2.gz MOHGJSWBIJAYSD-SRVKXCTJSA-N 2 2 242.388 0.633 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+](CN2CCCC2=O)C1 ZINC000743400416 585136295 /nfs/dbraw/zinc/13/62/95/585136295.db2.gz SHRGJYKCNRKRLU-GFCCVEGCSA-N 2 2 239.363 0.840 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CN2CCCC2=O)C1 ZINC000743400416 585136296 /nfs/dbraw/zinc/13/62/96/585136296.db2.gz SHRGJYKCNRKRLU-GFCCVEGCSA-N 2 2 239.363 0.840 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+](CN2CCCC2=O)C1 ZINC000743400416 585136297 /nfs/dbraw/zinc/13/62/97/585136297.db2.gz SHRGJYKCNRKRLU-GFCCVEGCSA-N 2 2 239.363 0.840 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CN2CCCC2=O)C1 ZINC000743400416 585136298 /nfs/dbraw/zinc/13/62/98/585136298.db2.gz SHRGJYKCNRKRLU-GFCCVEGCSA-N 2 2 239.363 0.840 20 0 BCADLP C/C=C/C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000748749582 585195163 /nfs/dbraw/zinc/19/51/63/585195163.db2.gz CJWYMRSKAIIDHI-SNAWJCMRSA-N 2 2 239.363 0.705 20 0 BCADLP C[NH+]1CCC(CC(=O)NC2=[NH+]CCS2)CC1 ZINC000753990226 585274472 /nfs/dbraw/zinc/27/44/72/585274472.db2.gz RNKLMOQWIWRNGX-UHFFFAOYSA-N 2 2 241.360 0.937 20 0 BCADLP C[NH+](C)[C@@H]1CCC[N@H+](CC2OCCO2)CC1 ZINC000759964756 585383307 /nfs/dbraw/zinc/38/33/07/585383307.db2.gz GGALBIZKNYOVKF-LLVKDONJSA-N 2 2 228.336 0.775 20 0 BCADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC2OCCO2)CC1 ZINC000759964756 585383308 /nfs/dbraw/zinc/38/33/08/585383308.db2.gz GGALBIZKNYOVKF-LLVKDONJSA-N 2 2 228.336 0.775 20 0 BCADLP CC[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NC ZINC000760847338 585399839 /nfs/dbraw/zinc/39/98/39/585399839.db2.gz ODZIQWXGQKRFDV-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP CC[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NC ZINC000760847338 585399840 /nfs/dbraw/zinc/39/98/40/585399840.db2.gz ODZIQWXGQKRFDV-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP CC[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)NC ZINC000760847338 585399841 /nfs/dbraw/zinc/39/98/41/585399841.db2.gz ODZIQWXGQKRFDV-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP CC[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)NC ZINC000760847338 585399842 /nfs/dbraw/zinc/39/98/42/585399842.db2.gz ODZIQWXGQKRFDV-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP CC[N@H+](CC(=O)N1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC000764402409 585465170 /nfs/dbraw/zinc/46/51/70/585465170.db2.gz LZLXOIVFEYFAGW-NSHDSACASA-N 2 2 239.363 0.633 20 0 BCADLP CC[N@@H+](CC(=O)N1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC000764402409 585465171 /nfs/dbraw/zinc/46/51/71/585465171.db2.gz LZLXOIVFEYFAGW-NSHDSACASA-N 2 2 239.363 0.633 20 0 BCADLP CC[NH+](CC(=O)N1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000764402409 585465172 /nfs/dbraw/zinc/46/51/72/585465172.db2.gz LZLXOIVFEYFAGW-NSHDSACASA-N 2 2 239.363 0.633 20 0 BCADLP CC[NH+](CC(=O)N1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000764402409 585465173 /nfs/dbraw/zinc/46/51/73/585465173.db2.gz LZLXOIVFEYFAGW-NSHDSACASA-N 2 2 239.363 0.633 20 0 BCADLP C[C@H]1CCOCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000775567388 585679771 /nfs/dbraw/zinc/67/97/71/585679771.db2.gz HCNAULUZJKIQMF-STQMWFEESA-N 2 2 242.363 0.554 20 0 BCADLP C[C@H]1CCOCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000775567388 585679772 /nfs/dbraw/zinc/67/97/72/585679772.db2.gz HCNAULUZJKIQMF-STQMWFEESA-N 2 2 242.363 0.554 20 0 BCADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc[nH]n1 ZINC000300921382 585703122 /nfs/dbraw/zinc/70/31/22/585703122.db2.gz YTYULPLDBCPALI-JTQLQIEISA-N 2 2 208.309 0.887 20 0 BCADLP C[C@H]1C[C@H]([NH+](C)CC2OCCO2)CC[N@@H+]1C ZINC000777595940 585716396 /nfs/dbraw/zinc/71/63/96/585716396.db2.gz HSCSEERYZJAVLD-WDEREUQCSA-N 2 2 228.336 0.774 20 0 BCADLP C[C@H]1C[C@H]([NH+](C)CC2OCCO2)CC[N@H+]1C ZINC000777595940 585716397 /nfs/dbraw/zinc/71/63/97/585716397.db2.gz HSCSEERYZJAVLD-WDEREUQCSA-N 2 2 228.336 0.774 20 0 BCADLP C[C@H]1C[C@H]([N@H+](C)CC2OCCO2)CC[NH+]1C ZINC000777595940 585716398 /nfs/dbraw/zinc/71/63/98/585716398.db2.gz HSCSEERYZJAVLD-WDEREUQCSA-N 2 2 228.336 0.774 20 0 BCADLP C[C@H]1C[C@H]([N@@H+](C)CC2OCCO2)CC[NH+]1C ZINC000777595940 585716399 /nfs/dbraw/zinc/71/63/99/585716399.db2.gz HSCSEERYZJAVLD-WDEREUQCSA-N 2 2 228.336 0.774 20 0 BCADLP COC(C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)OC ZINC000787993098 585918409 /nfs/dbraw/zinc/91/84/09/585918409.db2.gz VEDRQFOWNNAVMK-JTQLQIEISA-N 2 2 239.319 0.828 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)[C@H]1CC(C)(C)OC1=O ZINC000795677996 586090676 /nfs/dbraw/zinc/09/06/76/586090676.db2.gz ZFVLIKIWIYBYJJ-JTQLQIEISA-N 2 2 237.303 0.909 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)[C@H]1CC(C)(C)OC1=O ZINC000795677996 586090677 /nfs/dbraw/zinc/09/06/77/586090677.db2.gz ZFVLIKIWIYBYJJ-JTQLQIEISA-N 2 2 237.303 0.909 20 0 BCADLP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000859622661 589049700 /nfs/dbraw/zinc/04/97/00/589049700.db2.gz BLIMMXRCXHMADN-NSHDSACASA-N 2 2 236.319 0.354 20 0 BCADLP Cc1c[nH+]cn1CC(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000859622661 589049702 /nfs/dbraw/zinc/04/97/02/589049702.db2.gz BLIMMXRCXHMADN-NSHDSACASA-N 2 2 236.319 0.354 20 0 BCADLP Cn1ncc(C[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000806165222 586406823 /nfs/dbraw/zinc/40/68/23/586406823.db2.gz DWAVOXLQDKNVSG-AVGNSLFASA-N 2 2 249.362 0.778 20 0 BCADLP Cn1ncc(C[NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000806165222 586406825 /nfs/dbraw/zinc/40/68/25/586406825.db2.gz DWAVOXLQDKNVSG-AVGNSLFASA-N 2 2 249.362 0.778 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000811589605 586561689 /nfs/dbraw/zinc/56/16/89/586561689.db2.gz YSBRSIQUDJCRRB-LLVKDONJSA-N 2 2 236.319 0.521 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000811589605 586561690 /nfs/dbraw/zinc/56/16/90/586561690.db2.gz YSBRSIQUDJCRRB-LLVKDONJSA-N 2 2 236.319 0.521 20 0 BCADLP CC[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000816837048 586767856 /nfs/dbraw/zinc/76/78/56/586767856.db2.gz IXZFKHYZRGFRCT-UHFFFAOYSA-N 2 2 236.319 0.553 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000817890941 586832580 /nfs/dbraw/zinc/83/25/80/586832580.db2.gz CDZNHYLSLFYXEC-MNOVXSKESA-N 2 2 227.352 0.442 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000817890943 586832585 /nfs/dbraw/zinc/83/25/85/586832585.db2.gz CDZNHYLSLFYXEC-WDEREUQCSA-N 2 2 227.352 0.442 20 0 BCADLP CC(C)C[C@H](O)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000817905268 586837249 /nfs/dbraw/zinc/83/72/49/586837249.db2.gz FAPMHULLJICMIQ-WOPDTQHZSA-N 2 2 214.353 0.981 20 0 BCADLP CC(C)S(=O)(=O)CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000817932582 586841739 /nfs/dbraw/zinc/84/17/39/586841739.db2.gz UDZKLJNLHGCXDE-WDEREUQCSA-N 2 2 248.392 0.397 20 0 BCADLP CON(C)C(=O)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000818976989 586919566 /nfs/dbraw/zinc/91/95/66/586919566.db2.gz PEIPNPINRWQSAX-SNVBAGLBSA-N 2 2 241.335 0.223 20 0 BCADLP CON(C)C(=O)CC[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000818976989 586919567 /nfs/dbraw/zinc/91/95/67/586919567.db2.gz PEIPNPINRWQSAX-SNVBAGLBSA-N 2 2 241.335 0.223 20 0 BCADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)c2cccnc2)C1 ZINC000819020860 586924441 /nfs/dbraw/zinc/92/44/41/586924441.db2.gz ILQMPYRNFRJVFT-QWHCGFSZSA-N 2 2 235.331 0.799 20 0 BCADLP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)c2cccnc2)C1 ZINC000819020860 586924443 /nfs/dbraw/zinc/92/44/43/586924443.db2.gz ILQMPYRNFRJVFT-QWHCGFSZSA-N 2 2 235.331 0.799 20 0 BCADLP CC[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)C2CC2)C1 ZINC000819024069 586925146 /nfs/dbraw/zinc/92/51/46/586925146.db2.gz ZXRATMVZVHMXAN-RYUDHWBXSA-N 2 2 212.337 0.831 20 0 BCADLP CC[N@H+]1CCC[C@H]([NH2+]C[C@H](O)C2CC2)C1 ZINC000819024069 586925148 /nfs/dbraw/zinc/92/51/48/586925148.db2.gz ZXRATMVZVHMXAN-RYUDHWBXSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cnnn1C ZINC000820806030 587073359 /nfs/dbraw/zinc/07/33/59/587073359.db2.gz YIJDWEHOEWXGED-JTQLQIEISA-N 2 2 234.307 0.753 20 0 BCADLP O=C(C[NH+]1CCCC1)N[C@H]1CCn2cc[nH+]c21 ZINC000823236508 587210282 /nfs/dbraw/zinc/21/02/82/587210282.db2.gz AZOWEMKHQNUYGQ-JTQLQIEISA-N 2 2 234.303 0.540 20 0 BCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000823237298 587210509 /nfs/dbraw/zinc/21/05/09/587210509.db2.gz RBPNEVXMYAUXDY-WDEREUQCSA-N 2 2 248.330 0.786 20 0 BCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000823237298 587210511 /nfs/dbraw/zinc/21/05/11/587210511.db2.gz RBPNEVXMYAUXDY-WDEREUQCSA-N 2 2 248.330 0.786 20 0 BCADLP C[C@H](NC(=O)C[NH+]1CCCC1)c1[nH+]ccn1C ZINC000824625901 587280020 /nfs/dbraw/zinc/28/00/20/587280020.db2.gz KXNAHDQBZQKFOR-JTQLQIEISA-N 2 2 236.319 0.693 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000825555950 587325007 /nfs/dbraw/zinc/32/50/07/587325007.db2.gz MIDIBEYDLSSREN-NSHDSACASA-N 2 2 248.330 0.649 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)n1C ZINC000826052467 587349667 /nfs/dbraw/zinc/34/96/67/587349667.db2.gz DOIWBFVEHLUNIU-NSHDSACASA-N 2 2 245.273 0.930 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@@](O)(C(F)F)C2)n1C ZINC000826052467 587349668 /nfs/dbraw/zinc/34/96/68/587349668.db2.gz DOIWBFVEHLUNIU-NSHDSACASA-N 2 2 245.273 0.930 20 0 BCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC000827253159 587374065 /nfs/dbraw/zinc/37/40/65/587374065.db2.gz DOQOSUCPKVVMIK-GHMZBOCLSA-N 2 2 248.330 0.505 20 0 BCADLP C[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC000827253159 587374066 /nfs/dbraw/zinc/37/40/66/587374066.db2.gz DOQOSUCPKVVMIK-GHMZBOCLSA-N 2 2 248.330 0.505 20 0 BCADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000827280497 587375322 /nfs/dbraw/zinc/37/53/22/587375322.db2.gz FOKRGJNUXRCVGG-NSHDSACASA-N 2 2 248.330 0.647 20 0 BCADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000827280497 587375323 /nfs/dbraw/zinc/37/53/23/587375323.db2.gz FOKRGJNUXRCVGG-NSHDSACASA-N 2 2 248.330 0.647 20 0 BCADLP C[NH2+]CC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000827464212 587382058 /nfs/dbraw/zinc/38/20/58/587382058.db2.gz XOILKLZWXRECIB-UHFFFAOYSA-N 2 2 245.286 0.103 20 0 BCADLP C[C@@H]1C[C@H]([NH+](C)CC[S@](C)=O)CC[N@@H+]1C ZINC000827976019 587414550 /nfs/dbraw/zinc/41/45/50/587414550.db2.gz NQLUFLLXRRXVAD-HFAKWTLXSA-N 2 2 232.393 0.779 20 0 BCADLP C[C@@H]1C[C@H]([NH+](C)CC[S@](C)=O)CC[N@H+]1C ZINC000827976019 587414551 /nfs/dbraw/zinc/41/45/51/587414551.db2.gz NQLUFLLXRRXVAD-HFAKWTLXSA-N 2 2 232.393 0.779 20 0 BCADLP C[C@@H]1C[C@H]([N@H+](C)CC[S@](C)=O)CC[NH+]1C ZINC000827976019 587414552 /nfs/dbraw/zinc/41/45/52/587414552.db2.gz NQLUFLLXRRXVAD-HFAKWTLXSA-N 2 2 232.393 0.779 20 0 BCADLP C[C@@H]1C[C@H]([N@@H+](C)CC[S@](C)=O)CC[NH+]1C ZINC000827976019 587414553 /nfs/dbraw/zinc/41/45/53/587414553.db2.gz NQLUFLLXRRXVAD-HFAKWTLXSA-N 2 2 232.393 0.779 20 0 BCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC[S@](C)=O)CC[C@@H]21 ZINC000828011877 587416633 /nfs/dbraw/zinc/41/66/33/587416633.db2.gz YUGFFEWJTFYTRH-WQGACYEGSA-N 2 2 244.404 0.781 20 0 BCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC[S@](C)=O)CC[C@@H]21 ZINC000828011877 587416635 /nfs/dbraw/zinc/41/66/35/587416635.db2.gz YUGFFEWJTFYTRH-WQGACYEGSA-N 2 2 244.404 0.781 20 0 BCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC[S@](C)=O)CC[C@@H]21 ZINC000828011877 587416636 /nfs/dbraw/zinc/41/66/36/587416636.db2.gz YUGFFEWJTFYTRH-WQGACYEGSA-N 2 2 244.404 0.781 20 0 BCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC[S@](C)=O)CC[C@@H]21 ZINC000828011877 587416639 /nfs/dbraw/zinc/41/66/39/587416639.db2.gz YUGFFEWJTFYTRH-WQGACYEGSA-N 2 2 244.404 0.781 20 0 BCADLP C[N@@H+]1CC[C@]2(CC[NH+](CC[S@@](C)=O)C2)C1 ZINC000828571203 587451196 /nfs/dbraw/zinc/45/11/96/587451196.db2.gz NKEORHCIYXPVOG-XHDPSFHLSA-N 2 2 230.377 0.393 20 0 BCADLP C[N@H+]1CC[C@]2(CC[NH+](CC[S@@](C)=O)C2)C1 ZINC000828571203 587451197 /nfs/dbraw/zinc/45/11/97/587451197.db2.gz NKEORHCIYXPVOG-XHDPSFHLSA-N 2 2 230.377 0.393 20 0 BCADLP C[NH+]1CC[C@]2(CC[N@H+](CC[S@@](C)=O)C2)C1 ZINC000828571203 587451199 /nfs/dbraw/zinc/45/11/99/587451199.db2.gz NKEORHCIYXPVOG-XHDPSFHLSA-N 2 2 230.377 0.393 20 0 BCADLP C[NH+]1CC[C@]2(CC[N@@H+](CC[S@@](C)=O)C2)C1 ZINC000828571203 587451200 /nfs/dbraw/zinc/45/12/00/587451200.db2.gz NKEORHCIYXPVOG-XHDPSFHLSA-N 2 2 230.377 0.393 20 0 BCADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC[S@](C)=O)C2)C1 ZINC000828575726 587451212 /nfs/dbraw/zinc/45/12/12/587451212.db2.gz OTXLZRUMFBUCNQ-WBMJQRKESA-N 2 2 244.404 0.783 20 0 BCADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC[S@](C)=O)C2)C1 ZINC000828575726 587451213 /nfs/dbraw/zinc/45/12/13/587451213.db2.gz OTXLZRUMFBUCNQ-WBMJQRKESA-N 2 2 244.404 0.783 20 0 BCADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC[S@](C)=O)C2)C1 ZINC000828575726 587451214 /nfs/dbraw/zinc/45/12/14/587451214.db2.gz OTXLZRUMFBUCNQ-WBMJQRKESA-N 2 2 244.404 0.783 20 0 BCADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC[S@](C)=O)C2)C1 ZINC000828575726 587451215 /nfs/dbraw/zinc/45/12/15/587451215.db2.gz OTXLZRUMFBUCNQ-WBMJQRKESA-N 2 2 244.404 0.783 20 0 BCADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000828774220 587461397 /nfs/dbraw/zinc/46/13/97/587461397.db2.gz MOFHXJRYTWSLIR-VIFPVBQESA-N 2 2 222.292 0.115 20 0 BCADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000828774220 587461399 /nfs/dbraw/zinc/46/13/99/587461399.db2.gz MOFHXJRYTWSLIR-VIFPVBQESA-N 2 2 222.292 0.115 20 0 BCADLP C[C@@H]1CC[N@H+](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000829441839 587497392 /nfs/dbraw/zinc/49/73/92/587497392.db2.gz RRGLMMWOJAIKJB-SNVBAGLBSA-N 2 2 236.319 0.410 20 0 BCADLP C[C@@H]1CC[N@@H+](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000829441839 587497394 /nfs/dbraw/zinc/49/73/94/587497394.db2.gz RRGLMMWOJAIKJB-SNVBAGLBSA-N 2 2 236.319 0.410 20 0 BCADLP CC(C)[N@H+](C[C@H](O)C[NH+]1CCCC1)C1COC1 ZINC000830217312 587541810 /nfs/dbraw/zinc/54/18/10/587541810.db2.gz HFDRIIGPVMAFAE-CYBMUJFWSA-N 2 2 242.363 0.552 20 0 BCADLP CC(C)[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1COC1 ZINC000830217312 587541812 /nfs/dbraw/zinc/54/18/12/587541812.db2.gz HFDRIIGPVMAFAE-CYBMUJFWSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]([NH3+])CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000832140162 587646362 /nfs/dbraw/zinc/64/63/62/587646362.db2.gz LCMZHFCXJPSIIU-BDAKNGLRSA-N 2 2 222.292 0.811 20 0 BCADLP CC1=CC[N@H+](CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000832207530 587650280 /nfs/dbraw/zinc/65/02/80/587650280.db2.gz NOOMVSSPICZYQM-UHFFFAOYSA-N 2 2 248.330 0.720 20 0 BCADLP CC1=CC[N@@H+](CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000832207530 587650282 /nfs/dbraw/zinc/65/02/82/587650282.db2.gz NOOMVSSPICZYQM-UHFFFAOYSA-N 2 2 248.330 0.720 20 0 BCADLP C[C@@H](C[NH3+])C[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000841049527 587940242 /nfs/dbraw/zinc/94/02/42/587940242.db2.gz TURXEZFJILTLNV-NSHDSACASA-N 2 2 245.330 0.952 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]CC1(O)CCCCC1 ZINC000843097683 588081264 /nfs/dbraw/zinc/08/12/64/588081264.db2.gz QWNHCNNFCPMUGZ-UHFFFAOYSA-N 2 2 244.379 0.585 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]CC1(O)CCCCC1 ZINC000843097683 588081266 /nfs/dbraw/zinc/08/12/66/588081266.db2.gz QWNHCNNFCPMUGZ-UHFFFAOYSA-N 2 2 244.379 0.585 20 0 BCADLP [NH3+]CCc1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000843175075 588089680 /nfs/dbraw/zinc/08/96/80/588089680.db2.gz RGXJXWRNIOXPRN-UHFFFAOYSA-N 2 2 243.270 0.809 20 0 BCADLP CC[NH2+]Cc1nc(Cc2c[nH+]cn2C)no1 ZINC000843200281 588093094 /nfs/dbraw/zinc/09/30/94/588093094.db2.gz NVEHIJAKSZXWDP-UHFFFAOYSA-N 2 2 221.264 0.503 20 0 BCADLP CCCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000843348595 588102489 /nfs/dbraw/zinc/10/24/89/588102489.db2.gz SGTJWRYDNRBUDW-NXEZZACHSA-N 2 2 214.309 0.609 20 0 BCADLP CCCOC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000843348595 588102491 /nfs/dbraw/zinc/10/24/91/588102491.db2.gz SGTJWRYDNRBUDW-NXEZZACHSA-N 2 2 214.309 0.609 20 0 BCADLP CCCOC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000843365176 588104420 /nfs/dbraw/zinc/10/44/20/588104420.db2.gz DOKIEBRZTWCRDC-GARJFASQSA-N 2 2 228.336 0.997 20 0 BCADLP CCCOC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000843365176 588104422 /nfs/dbraw/zinc/10/44/22/588104422.db2.gz DOKIEBRZTWCRDC-GARJFASQSA-N 2 2 228.336 0.997 20 0 BCADLP CCCOC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000843363107 588104595 /nfs/dbraw/zinc/10/45/95/588104595.db2.gz ZHYBLXLHIPDTAS-OUAUKWLOSA-N 2 2 228.336 0.997 20 0 BCADLP CCCOC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000843363107 588104597 /nfs/dbraw/zinc/10/45/97/588104597.db2.gz ZHYBLXLHIPDTAS-OUAUKWLOSA-N 2 2 228.336 0.997 20 0 BCADLP C[NH2+]CC[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000843387126 588105651 /nfs/dbraw/zinc/10/56/51/588105651.db2.gz FEHXZEXXPBSDIH-UHFFFAOYSA-N 3 2 213.369 0.917 20 0 BCADLP C[NH2+]CC[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000843387126 588105652 /nfs/dbraw/zinc/10/56/52/588105652.db2.gz FEHXZEXXPBSDIH-UHFFFAOYSA-N 3 2 213.369 0.917 20 0 BCADLP [NH3+][C@H]1C[C@@H](C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000843493017 588115284 /nfs/dbraw/zinc/11/52/84/588115284.db2.gz BNYLQRYIXMQVRF-KXUCPTDWSA-N 2 2 234.303 0.811 20 0 BCADLP Cc1[nH]c(C(=O)NCCCCCC[NH3+])c[nH+]1 ZINC000843511433 588117637 /nfs/dbraw/zinc/11/76/37/588117637.db2.gz DNMKXOYWWVVECE-UHFFFAOYSA-N 2 2 224.308 0.967 20 0 BCADLP C[C@@H]1[C@H](C(=O)NC2=[NH+]C[C@H](C)S2)CC[N@@H+]1C ZINC000843911267 588150037 /nfs/dbraw/zinc/15/00/37/588150037.db2.gz HZGZANSSPVPXJE-DJLDLDEBSA-N 2 2 241.360 0.934 20 0 BCADLP C[C@@H]1[C@H](C(=O)NC2=[NH+]C[C@H](C)S2)CC[N@H+]1C ZINC000843911267 588150038 /nfs/dbraw/zinc/15/00/38/588150038.db2.gz HZGZANSSPVPXJE-DJLDLDEBSA-N 2 2 241.360 0.934 20 0 BCADLP C[C@@H]([NH3+])C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000844168077 588171622 /nfs/dbraw/zinc/17/16/22/588171622.db2.gz JBPOXGPVSFNHCO-SECBINFHSA-N 2 2 245.286 0.231 20 0 BCADLP CC[NH2+]CC(=O)Nc1c[nH+]ccc1OC ZINC000844177583 588171904 /nfs/dbraw/zinc/17/19/04/588171904.db2.gz LJJCSOGHYZECOQ-UHFFFAOYSA-N 2 2 209.249 0.638 20 0 BCADLP CC[NH2+]CC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000844172197 588171945 /nfs/dbraw/zinc/17/19/45/588171945.db2.gz REIKPZHTHSVFIT-UHFFFAOYSA-N 2 2 236.319 0.373 20 0 BCADLP CC[NH2+]CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000844178660 588172242 /nfs/dbraw/zinc/17/22/42/588172242.db2.gz GSKYKSRAMMLIPZ-UHFFFAOYSA-N 2 2 236.319 0.725 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@H](O)C2CC2)C1 ZINC000846838280 588292449 /nfs/dbraw/zinc/29/24/49/588292449.db2.gz MZFVHHSNELSBKZ-RYUDHWBXSA-N 2 2 235.331 0.980 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@H](O)C2CC2)C1 ZINC000846838280 588292450 /nfs/dbraw/zinc/29/24/50/588292450.db2.gz MZFVHHSNELSBKZ-RYUDHWBXSA-N 2 2 235.331 0.980 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCOCC[C@@H]1C ZINC000846848746 588293044 /nfs/dbraw/zinc/29/30/44/588293044.db2.gz TUWCVAPHULXMCQ-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCOCC[C@@H]1C ZINC000846848746 588293045 /nfs/dbraw/zinc/29/30/45/588293045.db2.gz TUWCVAPHULXMCQ-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCOCC[C@@H]1C ZINC000846848746 588293046 /nfs/dbraw/zinc/29/30/46/588293046.db2.gz TUWCVAPHULXMCQ-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCOCC[C@@H]1C ZINC000846848746 588293047 /nfs/dbraw/zinc/29/30/47/588293047.db2.gz TUWCVAPHULXMCQ-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCOCC[C@H]1C ZINC000846848751 588293083 /nfs/dbraw/zinc/29/30/83/588293083.db2.gz TUWCVAPHULXMCQ-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCOCC[C@H]1C ZINC000846848751 588293084 /nfs/dbraw/zinc/29/30/84/588293084.db2.gz TUWCVAPHULXMCQ-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCOCC[C@H]1C ZINC000846848751 588293085 /nfs/dbraw/zinc/29/30/85/588293085.db2.gz TUWCVAPHULXMCQ-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCOCC[C@H]1C ZINC000846848751 588293086 /nfs/dbraw/zinc/29/30/86/588293086.db2.gz TUWCVAPHULXMCQ-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CNC(=[NH2+])NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000848983488 588424568 /nfs/dbraw/zinc/42/45/68/588424568.db2.gz YQGQAEYLVPSMPE-NXEZZACHSA-N 2 2 242.367 0.618 20 0 BCADLP CCN(CC)C(=[NH2+])NCCc1cn(C)c[nH+]1 ZINC000849040050 588447061 /nfs/dbraw/zinc/44/70/61/588447061.db2.gz HMUNBHUPGZIHGL-UHFFFAOYSA-N 2 2 223.324 0.829 20 0 BCADLP CC[C@H](C)NC(=[NH2+])NCCc1cn(C)c[nH+]1 ZINC000849040506 588447721 /nfs/dbraw/zinc/44/77/21/588447721.db2.gz ZFVNNNWBSZOTPA-VIFPVBQESA-N 2 2 223.324 0.875 20 0 BCADLP [NH2+]=C(NCCn1cc[nH+]c1)Nc1ccccn1 ZINC000849057204 588451957 /nfs/dbraw/zinc/45/19/57/588451957.db2.gz CVQIVQGPEPIVJW-UHFFFAOYSA-N 2 2 230.275 0.915 20 0 BCADLP NC(=O)COc1ccc(C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000849349656 588474316 /nfs/dbraw/zinc/47/43/16/588474316.db2.gz GNAHKFXWDKDRCJ-NSHDSACASA-N 2 2 249.314 0.002 20 0 BCADLP CCON(C)C(=O)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000850338840 588537410 /nfs/dbraw/zinc/53/74/10/588537410.db2.gz KOPHWZLJJRDNPO-UHFFFAOYSA-N 2 2 240.307 0.228 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000850440126 588546775 /nfs/dbraw/zinc/54/67/75/588546775.db2.gz WOIVUVRIMIYLCK-VXGBXAGGSA-N 2 2 237.351 0.741 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000850440126 588546776 /nfs/dbraw/zinc/54/67/76/588546776.db2.gz WOIVUVRIMIYLCK-VXGBXAGGSA-N 2 2 237.351 0.741 20 0 BCADLP CON(C)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000850479663 588550568 /nfs/dbraw/zinc/55/05/68/588550568.db2.gz AXFAHZNUQAXCGZ-GHMZBOCLSA-N 2 2 227.352 0.694 20 0 BCADLP CON(C)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000850479663 588550570 /nfs/dbraw/zinc/55/05/70/588550570.db2.gz AXFAHZNUQAXCGZ-GHMZBOCLSA-N 2 2 227.352 0.694 20 0 BCADLP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000851660967 588613580 /nfs/dbraw/zinc/61/35/80/588613580.db2.gz CFNKXJMXZBUSAK-DTWKUNHWSA-N 2 2 237.307 0.235 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@H]2CCC(=O)O2)C1 ZINC000851868828 588637265 /nfs/dbraw/zinc/63/72/65/588637265.db2.gz VRVVQUIHPBOYIE-WDEREUQCSA-N 2 2 249.314 0.915 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@H]2CCC(=O)O2)C1 ZINC000851868828 588637266 /nfs/dbraw/zinc/63/72/66/588637266.db2.gz VRVVQUIHPBOYIE-WDEREUQCSA-N 2 2 249.314 0.915 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCOCC[C@H]1C ZINC000851906599 588642160 /nfs/dbraw/zinc/64/21/60/588642160.db2.gz NALKLPNLSGDOHD-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCOCC[C@H]1C ZINC000851906599 588642161 /nfs/dbraw/zinc/64/21/61/588642161.db2.gz NALKLPNLSGDOHD-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCOCC[C@H]1C ZINC000851906599 588642162 /nfs/dbraw/zinc/64/21/62/588642162.db2.gz NALKLPNLSGDOHD-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCOCC[C@H]1C ZINC000851906599 588642163 /nfs/dbraw/zinc/64/21/63/588642163.db2.gz NALKLPNLSGDOHD-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000851935596 588645742 /nfs/dbraw/zinc/64/57/42/588645742.db2.gz QHBSKRQPQRJRTC-CMPLNLGQSA-N 2 2 240.351 0.761 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000851935596 588645743 /nfs/dbraw/zinc/64/57/43/588645743.db2.gz QHBSKRQPQRJRTC-CMPLNLGQSA-N 2 2 240.351 0.761 20 0 BCADLP O=C1O[C@H](C[N@@H+]2CCn3c[nH+]cc3C2)CC12CC2 ZINC000852066580 588659096 /nfs/dbraw/zinc/65/90/96/588659096.db2.gz RSHOAHPZUZZPMF-NSHDSACASA-N 2 2 247.298 0.794 20 0 BCADLP O=C1O[C@H](C[N@H+]2CCn3c[nH+]cc3C2)CC12CC2 ZINC000852066580 588659097 /nfs/dbraw/zinc/65/90/97/588659097.db2.gz RSHOAHPZUZZPMF-NSHDSACASA-N 2 2 247.298 0.794 20 0 BCADLP C[N@H+](CCOC(F)F)[C@@H](C[NH3+])C1CC1 ZINC000852750095 588699823 /nfs/dbraw/zinc/69/98/23/588699823.db2.gz WCNBNZPDLQCNKU-QMMMGPOBSA-N 2 2 208.252 0.895 20 0 BCADLP C[N@@H+](CCOC(F)F)[C@@H](C[NH3+])C1CC1 ZINC000852750095 588699824 /nfs/dbraw/zinc/69/98/24/588699824.db2.gz WCNBNZPDLQCNKU-QMMMGPOBSA-N 2 2 208.252 0.895 20 0 BCADLP c1c[nH+]c([C@@H]2CCCN2C[C@H]2C[NH2+]CCO2)[nH]1 ZINC000852750386 588699913 /nfs/dbraw/zinc/69/99/13/588699913.db2.gz STVGZYNMZVOPPE-MNOVXSKESA-N 2 2 236.319 0.535 20 0 BCADLP COC[C@@H](C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)OC ZINC000852751238 588700310 /nfs/dbraw/zinc/70/03/10/588700310.db2.gz UFWWUBKDWKRRMU-VXGBXAGGSA-N 2 2 228.336 0.476 20 0 BCADLP COC[C@@H](C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)OC ZINC000852751238 588700311 /nfs/dbraw/zinc/70/03/11/588700311.db2.gz UFWWUBKDWKRRMU-VXGBXAGGSA-N 2 2 228.336 0.476 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000852836512 588707188 /nfs/dbraw/zinc/70/71/88/588707188.db2.gz BBJMGZDWRIQWCL-SNVBAGLBSA-N 2 2 226.255 0.070 20 0 BCADLP [NH3+][C@H]1C[C@H](C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000852887520 588711480 /nfs/dbraw/zinc/71/14/80/588711480.db2.gz BNYLQRYIXMQVRF-GUBZILKMSA-N 2 2 234.303 0.811 20 0 BCADLP C[N@@H+]1CC[C@@H](C(=O)N2CCc3[nH+]c[nH]c3C2)C1 ZINC000861760972 589177415 /nfs/dbraw/zinc/17/74/15/589177415.db2.gz SPBVECGSZJGWPP-SECBINFHSA-N 2 2 234.303 0.246 20 0 BCADLP C[N@H+]1CC[C@@H](C(=O)N2CCc3[nH+]c[nH]c3C2)C1 ZINC000861760972 589177416 /nfs/dbraw/zinc/17/74/16/589177416.db2.gz SPBVECGSZJGWPP-SECBINFHSA-N 2 2 234.303 0.246 20 0 BCADLP O=C1OC[C@@H]2C[N@H+](Cc3c[nH+]c4n3CCC4)C[C@H]12 ZINC000862545644 589219563 /nfs/dbraw/zinc/21/95/63/589219563.db2.gz ABSUIXBJLCKSJH-ONGXEEELSA-N 2 2 247.298 0.434 20 0 BCADLP O=C1OC[C@@H]2C[N@@H+](Cc3c[nH+]c4n3CCC4)C[C@H]12 ZINC000862545644 589219565 /nfs/dbraw/zinc/21/95/65/589219565.db2.gz ABSUIXBJLCKSJH-ONGXEEELSA-N 2 2 247.298 0.434 20 0 BCADLP CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000863547386 589298665 /nfs/dbraw/zinc/29/86/65/589298665.db2.gz KDYFRNVJTBULAH-OPRDCNLKSA-N 2 2 229.324 0.125 20 0 BCADLP CCn1cc(CC[N@H+](C)C[C@@H](C)[NH3+])cn1 ZINC000863569490 589300685 /nfs/dbraw/zinc/30/06/85/589300685.db2.gz XBQHEZHQXMLGFZ-SNVBAGLBSA-N 2 2 210.325 0.725 20 0 BCADLP CCn1cc(CC[N@@H+](C)C[C@@H](C)[NH3+])cn1 ZINC000863569490 589300686 /nfs/dbraw/zinc/30/06/86/589300686.db2.gz XBQHEZHQXMLGFZ-SNVBAGLBSA-N 2 2 210.325 0.725 20 0 BCADLP C[C@@]1(NC(=O)Cc2c[nH+]c[nH]2)C[NH+]2CCC1CC2 ZINC000864083896 589341862 /nfs/dbraw/zinc/34/18/62/589341862.db2.gz FLCUYWHOMXOKGO-CYBMUJFWSA-N 2 2 248.330 0.553 20 0 BCADLP C[C@@]1(NC(=O)Cc2c[nH]c[nH+]2)C[NH+]2CCC1CC2 ZINC000864083896 589341863 /nfs/dbraw/zinc/34/18/63/589341863.db2.gz FLCUYWHOMXOKGO-CYBMUJFWSA-N 2 2 248.330 0.553 20 0 BCADLP COCC[N@H+](C)CCNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864458138 589367907 /nfs/dbraw/zinc/36/79/07/589367907.db2.gz WZOLBKKXJNKSCL-UWVGGRQHSA-N 2 2 228.340 0.087 20 0 BCADLP COCC[N@@H+](C)CCNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864458138 589367909 /nfs/dbraw/zinc/36/79/09/589367909.db2.gz WZOLBKKXJNKSCL-UWVGGRQHSA-N 2 2 228.340 0.087 20 0 BCADLP CC[C@H]1CCN(C(=[NH2+])NCC[NH+]2CCC2)C1 ZINC000864461877 589369313 /nfs/dbraw/zinc/36/93/13/589369313.db2.gz SYTXKKMFKRDQFD-NSHDSACASA-N 2 2 224.352 0.948 20 0 BCADLP CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc(N)[nH+]c1 ZINC000205579894 589454330 /nfs/dbraw/zinc/45/43/30/589454330.db2.gz JWSZVEZLOADXCT-SECBINFHSA-N 2 2 222.292 0.976 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000865693105 589456323 /nfs/dbraw/zinc/45/63/23/589456323.db2.gz FUCZOQINVYYLHL-VWBGDHHKSA-N 2 2 236.359 0.950 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000865693105 589456324 /nfs/dbraw/zinc/45/63/24/589456324.db2.gz FUCZOQINVYYLHL-VWBGDHHKSA-N 2 2 236.359 0.950 20 0 BCADLP C[C@@H](O)[C@@H](O)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000865738403 589459689 /nfs/dbraw/zinc/45/96/89/589459689.db2.gz FHLCLTOSSWNPDR-KOLCDFICSA-N 2 2 235.287 0.166 20 0 BCADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H](O)[C@@H](C)O)n2c1 ZINC000865739993 589460103 /nfs/dbraw/zinc/46/01/03/589460103.db2.gz YXEJGCUTZSPEDR-PWSUYJOCSA-N 2 2 249.314 0.474 20 0 BCADLP Cc1nc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)nc(N)[nH+]1 ZINC000866210012 589480659 /nfs/dbraw/zinc/48/06/59/589480659.db2.gz XWVMZDODRAGSCV-NXEZZACHSA-N 2 2 248.334 0.293 20 0 BCADLP Cc1nc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)nc(N)[nH+]1 ZINC000866210012 589480660 /nfs/dbraw/zinc/48/06/60/589480660.db2.gz XWVMZDODRAGSCV-NXEZZACHSA-N 2 2 248.334 0.293 20 0 BCADLP Cc1nc(N)nc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)[nH+]1 ZINC000866210012 589480661 /nfs/dbraw/zinc/48/06/61/589480661.db2.gz XWVMZDODRAGSCV-NXEZZACHSA-N 2 2 248.334 0.293 20 0 BCADLP Cc1nc(N)nc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)[nH+]1 ZINC000866210012 589480662 /nfs/dbraw/zinc/48/06/62/589480662.db2.gz XWVMZDODRAGSCV-NXEZZACHSA-N 2 2 248.334 0.293 20 0 BCADLP C[C@H](CCO)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866413292 589491396 /nfs/dbraw/zinc/49/13/96/589491396.db2.gz GTZDGZYLVYMEGI-MNOVXSKESA-N 2 2 230.352 0.192 20 0 BCADLP C[C@H](CCO)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866413292 589491398 /nfs/dbraw/zinc/49/13/98/589491398.db2.gz GTZDGZYLVYMEGI-MNOVXSKESA-N 2 2 230.352 0.192 20 0 BCADLP CC[C@@H](COC)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866414349 589491649 /nfs/dbraw/zinc/49/16/49/589491649.db2.gz NMNOVIYDVKPRMJ-RYUDHWBXSA-N 2 2 244.379 0.846 20 0 BCADLP CC[C@@H](COC)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866414349 589491650 /nfs/dbraw/zinc/49/16/50/589491650.db2.gz NMNOVIYDVKPRMJ-RYUDHWBXSA-N 2 2 244.379 0.846 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)CCc1ccc(C(N)=O)cc1 ZINC000866659907 589508332 /nfs/dbraw/zinc/50/83/32/589508332.db2.gz XMRSKUATUWCXHR-SNVBAGLBSA-N 2 2 235.331 0.607 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)CCc1ccc(C(N)=O)cc1 ZINC000866659907 589508333 /nfs/dbraw/zinc/50/83/33/589508333.db2.gz XMRSKUATUWCXHR-SNVBAGLBSA-N 2 2 235.331 0.607 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCc1ccc(C(N)=O)cc1 ZINC000866681669 589511317 /nfs/dbraw/zinc/51/13/17/589511317.db2.gz AOWDDILMVQGTCV-MFKMUULPSA-N 2 2 247.342 0.750 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCc1ccc(C(N)=O)cc1 ZINC000866681669 589511318 /nfs/dbraw/zinc/51/13/18/589511318.db2.gz AOWDDILMVQGTCV-MFKMUULPSA-N 2 2 247.342 0.750 20 0 BCADLP NC(=O)Cc1cccc2c1CC[N@H+](CC[NH3+])C2 ZINC000866684783 589511661 /nfs/dbraw/zinc/51/16/61/589511661.db2.gz TYHJHTMOAZYBAG-UHFFFAOYSA-N 2 2 233.315 0.031 20 0 BCADLP NC(=O)Cc1cccc2c1CC[N@@H+](CC[NH3+])C2 ZINC000866684783 589511662 /nfs/dbraw/zinc/51/16/62/589511662.db2.gz TYHJHTMOAZYBAG-UHFFFAOYSA-N 2 2 233.315 0.031 20 0 BCADLP Cn1c[nH+]cc1CN1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866724831 589515564 /nfs/dbraw/zinc/51/55/64/589515564.db2.gz NEYOOXQCKAXWLS-RYUDHWBXSA-N 2 2 220.320 0.746 20 0 BCADLP Cn1c[nH+]cc1CN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866724829 589515629 /nfs/dbraw/zinc/51/56/29/589515629.db2.gz NEYOOXQCKAXWLS-NWDGAFQWSA-N 2 2 220.320 0.746 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866725759 589516448 /nfs/dbraw/zinc/51/64/48/589516448.db2.gz WCELMAGPORMLAH-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866725759 589516449 /nfs/dbraw/zinc/51/64/49/589516449.db2.gz WCELMAGPORMLAH-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP CN1CC[N@H+](C[C@H]2CC[NH2+]C2)Cc2cccnc21 ZINC000866728109 589516835 /nfs/dbraw/zinc/51/68/35/589516835.db2.gz XBDPUDMGZGXQOK-LBPRGKRZSA-N 2 2 246.358 0.943 20 0 BCADLP CN1CC[N@@H+](C[C@H]2CC[NH2+]C2)Cc2cccnc21 ZINC000866728109 589516836 /nfs/dbraw/zinc/51/68/36/589516836.db2.gz XBDPUDMGZGXQOK-LBPRGKRZSA-N 2 2 246.358 0.943 20 0 BCADLP O=C(CC[NH2+]CC1CC1)Nc1cc[nH+]cc1O ZINC000870883822 589694336 /nfs/dbraw/zinc/69/43/36/589694336.db2.gz GYHTXVUMPJHXRY-UHFFFAOYSA-N 2 2 235.287 0.537 20 0 BCADLP C[C@@H]([NH3+])C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000871021847 589714057 /nfs/dbraw/zinc/71/40/57/589714057.db2.gz WXNPJLMLQRTJEN-SECBINFHSA-N 2 2 234.303 0.207 20 0 BCADLP [NH3+][C@H]1CC[N@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872141857 589881740 /nfs/dbraw/zinc/88/17/40/589881740.db2.gz WREOCPMLDDRMAR-WDEREUQCSA-N 2 2 210.321 0.979 20 0 BCADLP [NH3+][C@H]1CC[N@@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872141857 589881742 /nfs/dbraw/zinc/88/17/42/589881742.db2.gz WREOCPMLDDRMAR-WDEREUQCSA-N 2 2 210.321 0.979 20 0 BCADLP C[C@]12C[N@H+](CCC[NH3+])C[C@@]1(C)CS(=O)(=O)C2 ZINC000872149001 589884880 /nfs/dbraw/zinc/88/48/80/589884880.db2.gz RWZYAJMKCZEGGY-PHIMTYICSA-N 2 2 246.376 0.092 20 0 BCADLP C[C@]12C[N@@H+](CCC[NH3+])C[C@@]1(C)CS(=O)(=O)C2 ZINC000872149001 589884882 /nfs/dbraw/zinc/88/48/82/589884882.db2.gz RWZYAJMKCZEGGY-PHIMTYICSA-N 2 2 246.376 0.092 20 0 BCADLP C[NH2+]CCC[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872153007 589884885 /nfs/dbraw/zinc/88/48/85/589884885.db2.gz XUZUGBHQCLYEPA-IUCAKERBSA-N 3 2 239.285 0.665 20 0 BCADLP C[NH2+]CCC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872153007 589884887 /nfs/dbraw/zinc/88/48/87/589884887.db2.gz XUZUGBHQCLYEPA-IUCAKERBSA-N 3 2 239.285 0.665 20 0 BCADLP COCC1([N@H+](C)C[C@@H]2C[NH2+]CCO2)CCC1 ZINC000872158170 589886040 /nfs/dbraw/zinc/88/60/40/589886040.db2.gz YTCIKIVZRKYIIN-NSHDSACASA-N 2 2 228.336 0.476 20 0 BCADLP COCC1([N@@H+](C)C[C@@H]2C[NH2+]CCO2)CCC1 ZINC000872158170 589886042 /nfs/dbraw/zinc/88/60/42/589886042.db2.gz YTCIKIVZRKYIIN-NSHDSACASA-N 2 2 228.336 0.476 20 0 BCADLP CCCNc1cc(N2C[C@@H]3C[C@H]2C[NH2+]3)nc[nH+]1 ZINC000872780145 589969657 /nfs/dbraw/zinc/96/96/57/589969657.db2.gz GCDWXGIHCOKHJA-UWVGGRQHSA-N 2 2 233.319 0.849 20 0 BCADLP C[N@H+](Cc1cnc(N)cn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873201608 589992743 /nfs/dbraw/zinc/99/27/43/589992743.db2.gz NCBXWKSANFZFFF-DHHPTOIESA-N 2 2 247.346 0.774 20 0 BCADLP C[N@@H+](Cc1cnc(N)cn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873201608 589992745 /nfs/dbraw/zinc/99/27/45/589992745.db2.gz NCBXWKSANFZFFF-DHHPTOIESA-N 2 2 247.346 0.774 20 0 BCADLP CC[C@H]1C[N@H+](Cc2cnc(N)cn2)CC[C@H]1[NH3+] ZINC000873200561 589993352 /nfs/dbraw/zinc/99/33/52/589993352.db2.gz COLLWNFIPJBSOQ-GXSJLCMTSA-N 2 2 235.335 0.618 20 0 BCADLP CC[C@H]1C[N@@H+](Cc2cnc(N)cn2)CC[C@H]1[NH3+] ZINC000873200561 589993353 /nfs/dbraw/zinc/99/33/53/589993353.db2.gz COLLWNFIPJBSOQ-GXSJLCMTSA-N 2 2 235.335 0.618 20 0 BCADLP C[C@H]1C[N@H+](Cc2cnc(N)cn2)CC[C@H]1[NH3+] ZINC000873201949 589993360 /nfs/dbraw/zinc/99/33/60/589993360.db2.gz QQKYPSWFPOUXHR-WCBMZHEXSA-N 2 2 221.308 0.228 20 0 BCADLP C[C@H]1C[N@@H+](Cc2cnc(N)cn2)CC[C@H]1[NH3+] ZINC000873201949 589993362 /nfs/dbraw/zinc/99/33/62/589993362.db2.gz QQKYPSWFPOUXHR-WCBMZHEXSA-N 2 2 221.308 0.228 20 0 BCADLP Nc1cnc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cn1 ZINC000873210202 589995445 /nfs/dbraw/zinc/99/54/45/589995445.db2.gz YTSYGQDGOJCQAW-ZDUSSCGKSA-N 2 2 247.346 0.634 20 0 BCADLP Nc1cnc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cn1 ZINC000873210202 589995448 /nfs/dbraw/zinc/99/54/48/589995448.db2.gz YTSYGQDGOJCQAW-ZDUSSCGKSA-N 2 2 247.346 0.634 20 0 BCADLP Nc1cnc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000873211753 589996068 /nfs/dbraw/zinc/99/60/68/589996068.db2.gz DMCVRLSGTZCNPL-JTQLQIEISA-N 2 2 247.346 0.823 20 0 BCADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cnc(N)cn1 ZINC000873211301 589996378 /nfs/dbraw/zinc/99/63/78/589996378.db2.gz YASIOSDRXPDCSJ-VIFPVBQESA-N 2 2 223.324 0.522 20 0 BCADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cnc(N)cn3)CC[C@@H]21 ZINC000873221605 589999452 /nfs/dbraw/zinc/99/94/52/589999452.db2.gz LQIFCXUPFLMOKK-JQWIXIFHSA-N 2 2 247.346 0.585 20 0 BCADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cnc(N)cn3)CC[C@@H]21 ZINC000873221605 589999453 /nfs/dbraw/zinc/99/94/53/589999453.db2.gz LQIFCXUPFLMOKK-JQWIXIFHSA-N 2 2 247.346 0.585 20 0 BCADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cnc(N)cn3)CC[C@@H]21 ZINC000873221605 589999455 /nfs/dbraw/zinc/99/94/55/589999455.db2.gz LQIFCXUPFLMOKK-JQWIXIFHSA-N 2 2 247.346 0.585 20 0 BCADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cnc(N)cn3)CC[C@@H]21 ZINC000873221605 589999456 /nfs/dbraw/zinc/99/94/56/589999456.db2.gz LQIFCXUPFLMOKK-JQWIXIFHSA-N 2 2 247.346 0.585 20 0 BCADLP Cn1nccc1C[NH2+][C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230190 590001598 /nfs/dbraw/zinc/00/15/98/590001598.db2.gz NGJKAZYSGOUDIP-RYUDHWBXSA-N 2 2 220.320 0.794 20 0 BCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873249911 590007187 /nfs/dbraw/zinc/00/71/87/590007187.db2.gz NJBFRJMLWBJZJZ-NNYUYHANSA-N 3 2 227.352 0.080 20 0 BCADLP [NH3+][C@H]1C[C@@H](C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000873248667 590007671 /nfs/dbraw/zinc/00/76/71/590007671.db2.gz DDFYVJLFUDYKAL-ZBAXXZLZSA-N 3 2 239.363 0.080 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254433 590010247 /nfs/dbraw/zinc/01/02/47/590010247.db2.gz TVWPPJKUYZSHDC-KQXIARHKSA-N 3 2 223.364 0.796 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254433 590010250 /nfs/dbraw/zinc/01/02/50/590010250.db2.gz TVWPPJKUYZSHDC-KQXIARHKSA-N 3 2 223.364 0.796 20 0 BCADLP Cc1nonc1C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000873296066 590024106 /nfs/dbraw/zinc/02/41/06/590024106.db2.gz UXKWGXXIYRXUQD-WCBMZHEXSA-N 2 2 240.307 0.235 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]C[C@H]1Cc2ccccc2C[NH2+]1 ZINC000873294917 590024270 /nfs/dbraw/zinc/02/42/70/590024270.db2.gz VYNYPXCUXZPWCB-GXFFZTMASA-N 2 2 247.342 0.554 20 0 BCADLP CCC[C@@H](CC)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000876542178 590212645 /nfs/dbraw/zinc/21/26/45/590212645.db2.gz LGCZSAHNWNMDTJ-NEPJUHHUSA-N 2 2 241.379 0.914 20 0 BCADLP CCC[C@@H](CC)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000876542178 590212646 /nfs/dbraw/zinc/21/26/46/590212646.db2.gz LGCZSAHNWNMDTJ-NEPJUHHUSA-N 2 2 241.379 0.914 20 0 BCADLP O=C(/C=C\[C@H]1CCC[NH2+]C1)NCCn1cc[nH+]c1 ZINC000876708886 590232782 /nfs/dbraw/zinc/23/27/82/590232782.db2.gz CVFUADJOFMMTFP-VSQXVHSFSA-N 2 2 248.330 0.555 20 0 BCADLP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCc1[nH]cc[nH+]1 ZINC000876763037 590239048 /nfs/dbraw/zinc/23/90/48/590239048.db2.gz CMGNLKRJXFZLRB-XOULXFPDSA-N 2 2 234.303 0.582 20 0 BCADLP O=C(C=C[C@@H]1CCC[NH2+]C1)NCc1[nH]cc[nH+]1 ZINC000876763037 590239049 /nfs/dbraw/zinc/23/90/49/590239049.db2.gz CMGNLKRJXFZLRB-XOULXFPDSA-N 2 2 234.303 0.582 20 0 BCADLP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000876763181 590239251 /nfs/dbraw/zinc/23/92/51/590239251.db2.gz IWOXCBRITZHNGM-BDAKNGLRSA-N 2 2 236.319 0.442 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000876882860 590252697 /nfs/dbraw/zinc/25/26/97/590252697.db2.gz UHSGUFHSVUFEKH-DTWKUNHWSA-N 2 2 222.292 0.399 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000876882860 590252698 /nfs/dbraw/zinc/25/26/98/590252698.db2.gz UHSGUFHSVUFEKH-DTWKUNHWSA-N 2 2 222.292 0.399 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876956918 590261132 /nfs/dbraw/zinc/26/11/32/590261132.db2.gz RMAYJESOMAPTPB-VHSXEESVSA-N 2 2 236.319 0.742 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876956918 590261133 /nfs/dbraw/zinc/26/11/33/590261133.db2.gz RMAYJESOMAPTPB-VHSXEESVSA-N 2 2 236.319 0.742 20 0 BCADLP C[N@@H+]1CC[C@@H]([NH2+]C2CC(n3cccn3)C2)C1 ZINC000877019221 590269186 /nfs/dbraw/zinc/26/91/86/590269186.db2.gz IGAKFXNYKWFOCK-VOMCLLRMSA-N 2 2 220.320 0.880 20 0 BCADLP C[N@H+]1CC[C@@H]([NH2+]C2CC(n3cccn3)C2)C1 ZINC000877019221 590269187 /nfs/dbraw/zinc/26/91/87/590269187.db2.gz IGAKFXNYKWFOCK-VOMCLLRMSA-N 2 2 220.320 0.880 20 0 BCADLP C[C@@H]([NH3+])CN(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000877103520 590283789 /nfs/dbraw/zinc/28/37/89/590283789.db2.gz WMDBCDWNEKAKHE-SECBINFHSA-N 2 2 232.287 0.754 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000877233062 590301799 /nfs/dbraw/zinc/30/17/99/590301799.db2.gz JVDJHFGDXYYENF-UHFFFAOYSA-N 2 2 248.330 0.900 20 0 BCADLP CCON(C)C(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000877611858 590372927 /nfs/dbraw/zinc/37/29/27/590372927.db2.gz CFCOOHVGDSRDGM-WDEREUQCSA-N 2 2 243.351 0.469 20 0 BCADLP CCON(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000877611858 590372930 /nfs/dbraw/zinc/37/29/30/590372930.db2.gz CFCOOHVGDSRDGM-WDEREUQCSA-N 2 2 243.351 0.469 20 0 BCADLP CCON(C)C(=O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000877611857 590373078 /nfs/dbraw/zinc/37/30/78/590373078.db2.gz CFCOOHVGDSRDGM-QWRGUYRKSA-N 2 2 243.351 0.469 20 0 BCADLP CCON(C)C(=O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000877611857 590373081 /nfs/dbraw/zinc/37/30/81/590373081.db2.gz CFCOOHVGDSRDGM-QWRGUYRKSA-N 2 2 243.351 0.469 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877744282 590411262 /nfs/dbraw/zinc/41/12/62/590411262.db2.gz RBETVYANIJKMRI-RYUDHWBXSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877744282 590411264 /nfs/dbraw/zinc/41/12/64/590411264.db2.gz RBETVYANIJKMRI-RYUDHWBXSA-N 2 2 234.347 0.946 20 0 BCADLP CC[N@H+](CCc1c[nH+]cn1C)CC(=O)NC ZINC000877986276 590465679 /nfs/dbraw/zinc/46/56/79/590465679.db2.gz IOEXUVZYOSAOQW-UHFFFAOYSA-N 2 2 224.308 0.031 20 0 BCADLP CC[N@@H+](CCc1c[nH+]cn1C)CC(=O)NC ZINC000877986276 590465680 /nfs/dbraw/zinc/46/56/80/590465680.db2.gz IOEXUVZYOSAOQW-UHFFFAOYSA-N 2 2 224.308 0.031 20 0 BCADLP CCCCOC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000126893684 590491765 /nfs/dbraw/zinc/49/17/65/590491765.db2.gz JZZCNQLCGQMRGE-QWRGUYRKSA-N 2 2 228.336 0.999 20 0 BCADLP CCCCOC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000126893684 590491766 /nfs/dbraw/zinc/49/17/66/590491766.db2.gz JZZCNQLCGQMRGE-QWRGUYRKSA-N 2 2 228.336 0.999 20 0 BCADLP C[C@@H]1C[C@H]([NH+](C)CCn2cnnn2)CC[N@@H+]1C ZINC000878162159 590511427 /nfs/dbraw/zinc/51/14/27/590511427.db2.gz BTMQCFJGVFACGC-GHMZBOCLSA-N 2 2 238.339 0.088 20 0 BCADLP C[C@@H]1C[C@H]([NH+](C)CCn2cnnn2)CC[N@H+]1C ZINC000878162159 590511429 /nfs/dbraw/zinc/51/14/29/590511429.db2.gz BTMQCFJGVFACGC-GHMZBOCLSA-N 2 2 238.339 0.088 20 0 BCADLP C[C@@H]1C[C@H]([N@H+](C)CCn2cnnn2)CC[NH+]1C ZINC000878162159 590511432 /nfs/dbraw/zinc/51/14/32/590511432.db2.gz BTMQCFJGVFACGC-GHMZBOCLSA-N 2 2 238.339 0.088 20 0 BCADLP C[C@@H]1C[C@H]([N@@H+](C)CCn2cnnn2)CC[NH+]1C ZINC000878162159 590511434 /nfs/dbraw/zinc/51/14/34/590511434.db2.gz BTMQCFJGVFACGC-GHMZBOCLSA-N 2 2 238.339 0.088 20 0 BCADLP CC(C)[NH2+]C1CC[NH+](CCn2cnnn2)CC1 ZINC000878235158 590527519 /nfs/dbraw/zinc/52/75/19/590527519.db2.gz ABMIETDBZXUHAY-UHFFFAOYSA-N 2 2 238.339 0.136 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCCN(C=O)CC1 ZINC000878637771 590599108 /nfs/dbraw/zinc/59/91/08/590599108.db2.gz LWMPTJWIBFJQLJ-UHFFFAOYSA-N 2 2 236.319 0.127 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCCN(C=O)CC1 ZINC000878637771 590599110 /nfs/dbraw/zinc/59/91/10/590599110.db2.gz LWMPTJWIBFJQLJ-UHFFFAOYSA-N 2 2 236.319 0.127 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000878669506 590606879 /nfs/dbraw/zinc/60/68/79/590606879.db2.gz FMDKROQKTRRXNT-NSHDSACASA-N 2 2 245.273 0.665 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000878669506 590606880 /nfs/dbraw/zinc/60/68/80/590606880.db2.gz FMDKROQKTRRXNT-NSHDSACASA-N 2 2 245.273 0.665 20 0 BCADLP CCO[C@@H]1COC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000878688763 590609874 /nfs/dbraw/zinc/60/98/74/590609874.db2.gz QMFDSBJKFNKTKO-NXEZZACHSA-N 2 2 211.265 0.303 20 0 BCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCF)C1 ZINC000878864806 590634274 /nfs/dbraw/zinc/63/42/74/590634274.db2.gz AOKOEQXFHQTQLC-SNVBAGLBSA-N 2 2 204.289 0.344 20 0 BCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCF)C1 ZINC000878864806 590634275 /nfs/dbraw/zinc/63/42/75/590634275.db2.gz AOKOEQXFHQTQLC-SNVBAGLBSA-N 2 2 204.289 0.344 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879567746 590805709 /nfs/dbraw/zinc/80/57/09/590805709.db2.gz VCMZAZUYONTSQC-MNOVXSKESA-N 2 2 225.336 0.149 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879567746 590805714 /nfs/dbraw/zinc/80/57/14/590805714.db2.gz VCMZAZUYONTSQC-MNOVXSKESA-N 2 2 225.336 0.149 20 0 BCADLP CCNC(=O)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879567746 590805718 /nfs/dbraw/zinc/80/57/18/590805718.db2.gz VCMZAZUYONTSQC-MNOVXSKESA-N 2 2 225.336 0.149 20 0 BCADLP CCNC(=O)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879567746 590805721 /nfs/dbraw/zinc/80/57/21/590805721.db2.gz VCMZAZUYONTSQC-MNOVXSKESA-N 2 2 225.336 0.149 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCCNC3=O)CC[C@@H]21 ZINC000879577514 590812510 /nfs/dbraw/zinc/81/25/10/590812510.db2.gz JTIJXMBRWWWLTC-WOPDTQHZSA-N 2 2 237.347 0.291 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCCNC3=O)CC[C@@H]21 ZINC000879577514 590812513 /nfs/dbraw/zinc/81/25/13/590812513.db2.gz JTIJXMBRWWWLTC-WOPDTQHZSA-N 2 2 237.347 0.291 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)CC[C@@H]21 ZINC000879577514 590812516 /nfs/dbraw/zinc/81/25/16/590812516.db2.gz JTIJXMBRWWWLTC-WOPDTQHZSA-N 2 2 237.347 0.291 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCCNC3=O)CC[C@@H]21 ZINC000879577514 590812518 /nfs/dbraw/zinc/81/25/18/590812518.db2.gz JTIJXMBRWWWLTC-WOPDTQHZSA-N 2 2 237.347 0.291 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879574001 590813898 /nfs/dbraw/zinc/81/38/98/590813898.db2.gz VOVCZMNZDXEBGY-MXWKQRLJSA-N 2 2 225.336 0.276 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879574001 590813902 /nfs/dbraw/zinc/81/39/02/590813902.db2.gz VOVCZMNZDXEBGY-MXWKQRLJSA-N 2 2 225.336 0.276 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879574001 590813905 /nfs/dbraw/zinc/81/39/05/590813905.db2.gz VOVCZMNZDXEBGY-MXWKQRLJSA-N 2 2 225.336 0.276 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879574001 590813910 /nfs/dbraw/zinc/81/39/10/590813910.db2.gz VOVCZMNZDXEBGY-MXWKQRLJSA-N 2 2 225.336 0.276 20 0 BCADLP CC(=O)[C@](C)(O)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580128 590818936 /nfs/dbraw/zinc/81/89/36/590818936.db2.gz RRYLICYDJQQOFP-FRRDWIJNSA-N 2 2 240.347 0.352 20 0 BCADLP CC(=O)[C@](C)(O)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580128 590818938 /nfs/dbraw/zinc/81/89/38/590818938.db2.gz RRYLICYDJQQOFP-FRRDWIJNSA-N 2 2 240.347 0.352 20 0 BCADLP CC(=O)[C@](C)(O)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580128 590818942 /nfs/dbraw/zinc/81/89/42/590818942.db2.gz RRYLICYDJQQOFP-FRRDWIJNSA-N 2 2 240.347 0.352 20 0 BCADLP CC(=O)[C@](C)(O)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580128 590818946 /nfs/dbraw/zinc/81/89/46/590818946.db2.gz RRYLICYDJQQOFP-FRRDWIJNSA-N 2 2 240.347 0.352 20 0 BCADLP CCN(C#N)CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879581343 590820361 /nfs/dbraw/zinc/82/03/61/590820361.db2.gz YRIAOQOYHWJCNX-OLZOCXBDSA-N 2 2 236.363 0.815 20 0 BCADLP CCN(C#N)CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879581343 590820366 /nfs/dbraw/zinc/82/03/66/590820366.db2.gz YRIAOQOYHWJCNX-OLZOCXBDSA-N 2 2 236.363 0.815 20 0 BCADLP CCN(C#N)CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879581343 590820369 /nfs/dbraw/zinc/82/03/69/590820369.db2.gz YRIAOQOYHWJCNX-OLZOCXBDSA-N 2 2 236.363 0.815 20 0 BCADLP CCN(C#N)CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879581343 590820374 /nfs/dbraw/zinc/82/03/74/590820374.db2.gz YRIAOQOYHWJCNX-OLZOCXBDSA-N 2 2 236.363 0.815 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879583360 590820622 /nfs/dbraw/zinc/82/06/22/590820622.db2.gz YCKOBWYCQXIFIX-OCCSQVGLSA-N 3 2 248.374 0.989 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879583360 590820625 /nfs/dbraw/zinc/82/06/25/590820625.db2.gz YCKOBWYCQXIFIX-OCCSQVGLSA-N 3 2 248.374 0.989 20 0 BCADLP Cn1c[nH+]cc1CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879583360 590820627 /nfs/dbraw/zinc/82/06/27/590820627.db2.gz YCKOBWYCQXIFIX-OCCSQVGLSA-N 3 2 248.374 0.989 20 0 BCADLP Cn1c[nH+]cc1CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879583360 590820630 /nfs/dbraw/zinc/82/06/30/590820630.db2.gz YCKOBWYCQXIFIX-OCCSQVGLSA-N 3 2 248.374 0.989 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)CC(C)(C)C1 ZINC000879624643 590837809 /nfs/dbraw/zinc/83/78/09/590837809.db2.gz YKWGPBDKXMSBSZ-RYUDHWBXSA-N 2 2 244.379 0.392 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)CC(C)(C)C1 ZINC000879624643 590837810 /nfs/dbraw/zinc/83/78/10/590837810.db2.gz YKWGPBDKXMSBSZ-RYUDHWBXSA-N 2 2 244.379 0.392 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879624643 590837811 /nfs/dbraw/zinc/83/78/11/590837811.db2.gz YKWGPBDKXMSBSZ-RYUDHWBXSA-N 2 2 244.379 0.392 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879624643 590837813 /nfs/dbraw/zinc/83/78/13/590837813.db2.gz YKWGPBDKXMSBSZ-RYUDHWBXSA-N 2 2 244.379 0.392 20 0 BCADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCn1cncn1 ZINC000880131185 590934248 /nfs/dbraw/zinc/93/42/48/590934248.db2.gz HXYMUPHDNBXIPK-NEPJUHHUSA-N 2 2 235.335 0.447 20 0 BCADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCn1cncn1 ZINC000880131185 590934250 /nfs/dbraw/zinc/93/42/50/590934250.db2.gz HXYMUPHDNBXIPK-NEPJUHHUSA-N 2 2 235.335 0.447 20 0 BCADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCn1cncn1 ZINC000880131185 590934254 /nfs/dbraw/zinc/93/42/54/590934254.db2.gz HXYMUPHDNBXIPK-NEPJUHHUSA-N 2 2 235.335 0.447 20 0 BCADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCn1cncn1 ZINC000880131185 590934258 /nfs/dbraw/zinc/93/42/58/590934258.db2.gz HXYMUPHDNBXIPK-NEPJUHHUSA-N 2 2 235.335 0.447 20 0 BCADLP CSC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880136851 590937639 /nfs/dbraw/zinc/93/76/39/590937639.db2.gz TXQWKWLCVKCSEQ-IJLUTSLNSA-N 2 2 244.404 0.879 20 0 BCADLP CSC[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880136851 590937642 /nfs/dbraw/zinc/93/76/42/590937642.db2.gz TXQWKWLCVKCSEQ-IJLUTSLNSA-N 2 2 244.404 0.879 20 0 BCADLP CSC[C@H](O)C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880136851 590937644 /nfs/dbraw/zinc/93/76/44/590937644.db2.gz TXQWKWLCVKCSEQ-IJLUTSLNSA-N 2 2 244.404 0.879 20 0 BCADLP CSC[C@H](O)C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880136851 590937647 /nfs/dbraw/zinc/93/76/47/590937647.db2.gz TXQWKWLCVKCSEQ-IJLUTSLNSA-N 2 2 244.404 0.879 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259803 590980385 /nfs/dbraw/zinc/98/03/85/590980385.db2.gz IZORPTHTSJQMSI-WDEREUQCSA-N 2 2 248.330 0.466 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259803 590980389 /nfs/dbraw/zinc/98/03/89/590980389.db2.gz IZORPTHTSJQMSI-WDEREUQCSA-N 2 2 248.330 0.466 20 0 BCADLP CC[N@H+]1[C@H](C)CN(C(=O)[C@H](C)[NH+](C)C)C[C@@H]1C ZINC000880611527 591111151 /nfs/dbraw/zinc/11/11/51/591111151.db2.gz UUYDQBIMNQSPLA-TUAOUCFPSA-N 2 2 241.379 0.878 20 0 BCADLP CC[N@@H+]1[C@H](C)CN(C(=O)[C@H](C)[NH+](C)C)C[C@@H]1C ZINC000880611527 591111156 /nfs/dbraw/zinc/11/11/56/591111156.db2.gz UUYDQBIMNQSPLA-TUAOUCFPSA-N 2 2 241.379 0.878 20 0 BCADLP Cc1[nH+]cnc(N[C@H](CO)C[NH+](C)C)c1C ZINC000882370647 591339151 /nfs/dbraw/zinc/33/91/51/591339151.db2.gz ZEHYJEFDIPTVBR-JTQLQIEISA-N 2 2 224.308 0.428 20 0 BCADLP CC[N@@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000882492782 591371284 /nfs/dbraw/zinc/37/12/84/591371284.db2.gz WEWLFVXAVXZSBP-NSHDSACASA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000882492782 591371290 /nfs/dbraw/zinc/37/12/90/591371290.db2.gz WEWLFVXAVXZSBP-NSHDSACASA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@@H+]1CC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000882492782 591371293 /nfs/dbraw/zinc/37/12/93/591371293.db2.gz WEWLFVXAVXZSBP-NSHDSACASA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@H+]1CC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000882492782 591371299 /nfs/dbraw/zinc/37/12/99/591371299.db2.gz WEWLFVXAVXZSBP-NSHDSACASA-N 2 2 236.319 0.553 20 0 BCADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cn[nH]c1 ZINC000883160164 591555521 /nfs/dbraw/zinc/55/55/21/591555521.db2.gz HWMOKJPEJHKGMF-GFCCVEGCSA-N 2 2 240.351 0.592 20 0 BCADLP CON(C)CC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000883171526 591560534 /nfs/dbraw/zinc/56/05/34/591560534.db2.gz ARFFZOIYIYULRQ-UHFFFAOYSA-N 2 2 234.303 0.917 20 0 BCADLP COC[C@H]1C[C@@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000883316105 591611666 /nfs/dbraw/zinc/61/16/66/591611666.db2.gz KSKNATPXMFMXLC-WYUUTHIRSA-N 2 2 212.337 0.951 20 0 BCADLP COC[C@H]1C[C@@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000883316105 591611668 /nfs/dbraw/zinc/61/16/68/591611668.db2.gz KSKNATPXMFMXLC-WYUUTHIRSA-N 2 2 212.337 0.951 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)C[C@H]1CCC2(CCOCC2)O1 ZINC000883418172 591654213 /nfs/dbraw/zinc/65/42/13/591654213.db2.gz ZOMQGJMBWDJWSU-VXGBXAGGSA-N 2 2 242.363 0.994 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)C[C@H]1CCC2(CCOCC2)O1 ZINC000883418172 591654215 /nfs/dbraw/zinc/65/42/15/591654215.db2.gz ZOMQGJMBWDJWSU-VXGBXAGGSA-N 2 2 242.363 0.994 20 0 BCADLP c1n[nH]cc1CC[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000883440717 591668794 /nfs/dbraw/zinc/66/87/94/591668794.db2.gz XEVSCZBTPLIRTL-VXGBXAGGSA-N 2 2 220.320 0.779 20 0 BCADLP c1n[nH]cc1CC[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000883440717 591668796 /nfs/dbraw/zinc/66/87/96/591668796.db2.gz XEVSCZBTPLIRTL-VXGBXAGGSA-N 2 2 220.320 0.779 20 0 BCADLP CCn1ncc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)n1 ZINC000883441710 591669548 /nfs/dbraw/zinc/66/95/48/591669548.db2.gz WAFQEQZJICFHOB-NXEZZACHSA-N 2 2 223.324 0.513 20 0 BCADLP CCn1ncc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)n1 ZINC000883441712 591670134 /nfs/dbraw/zinc/67/01/34/591670134.db2.gz WAFQEQZJICFHOB-VHSXEESVSA-N 2 2 223.324 0.513 20 0 BCADLP C[NH2+]C[C@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000883449766 591671091 /nfs/dbraw/zinc/67/10/91/591671091.db2.gz KHEIWOFXKMCBBJ-LLVKDONJSA-N 3 2 215.341 0.036 20 0 BCADLP C[NH2+]C[C@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000883449766 591671093 /nfs/dbraw/zinc/67/10/93/591671093.db2.gz KHEIWOFXKMCBBJ-LLVKDONJSA-N 3 2 215.341 0.036 20 0 BCADLP Cc1cn(C(C)(C)C(=O)NCC[C@H](C)[NH3+])c[nH+]1 ZINC000884022653 591802994 /nfs/dbraw/zinc/80/29/94/591802994.db2.gz MXBPAVQCBQNLIK-VIFPVBQESA-N 2 2 238.335 0.780 20 0 BCADLP COC[C@@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000133909106 591869236 /nfs/dbraw/zinc/86/92/36/591869236.db2.gz NPEFRPYVKBVGFZ-UMNHJUIQSA-N 2 2 228.336 0.209 20 0 BCADLP COC[C@@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000133909106 591869238 /nfs/dbraw/zinc/86/92/38/591869238.db2.gz NPEFRPYVKBVGFZ-UMNHJUIQSA-N 2 2 228.336 0.209 20 0 BCADLP C[NH2+][C@@H](CC(C)C)C(=O)NCc1[nH]c[nH+]c1C ZINC000884232526 591876124 /nfs/dbraw/zinc/87/61/24/591876124.db2.gz UNGODOSAYZEHGH-JTQLQIEISA-N 2 2 238.335 0.968 20 0 BCADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CC[NH3+])c[nH+]1 ZINC000884243428 591880282 /nfs/dbraw/zinc/88/02/82/591880282.db2.gz GNCKCLGLBPAPCZ-VIFPVBQESA-N 2 2 238.335 0.780 20 0 BCADLP CC[C@H]([NH3+])CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000884297201 591897241 /nfs/dbraw/zinc/89/72/41/591897241.db2.gz MUGBPNMRBSUXQO-JTQLQIEISA-N 2 2 238.335 0.780 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884394301 591923907 /nfs/dbraw/zinc/92/39/07/591923907.db2.gz AKAXWTTWGXQQSD-JTQLQIEISA-N 2 2 222.292 0.496 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884394301 591923908 /nfs/dbraw/zinc/92/39/08/591923908.db2.gz AKAXWTTWGXQQSD-JTQLQIEISA-N 2 2 222.292 0.496 20 0 BCADLP C[NH2+]C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000884420009 591929291 /nfs/dbraw/zinc/92/92/91/591929291.db2.gz HYRORQSFBLEJFG-SECBINFHSA-N 2 2 238.335 0.651 20 0 BCADLP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C[NH+](C)C ZINC000886593571 592270046 /nfs/dbraw/zinc/27/00/46/592270046.db2.gz UOLKMTDLKKGASR-LBPRGKRZSA-N 2 2 241.379 0.737 20 0 BCADLP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C[NH+](C)C ZINC000886593571 592270049 /nfs/dbraw/zinc/27/00/49/592270049.db2.gz UOLKMTDLKKGASR-LBPRGKRZSA-N 2 2 241.379 0.737 20 0 BCADLP [NH3+]CC[N@H+](CC[C@@H]1C[C@H]1C1CC1)C[C@@H](O)CO ZINC000886841192 592360760 /nfs/dbraw/zinc/36/07/60/592360760.db2.gz FCAHUZJCBIPXSW-UPJWGTAASA-N 2 2 242.363 0.037 20 0 BCADLP [NH3+]CC[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C[C@@H](O)CO ZINC000886841192 592360765 /nfs/dbraw/zinc/36/07/65/592360765.db2.gz FCAHUZJCBIPXSW-UPJWGTAASA-N 2 2 242.363 0.037 20 0 BCADLP CC[N@H+](C[C@@H]1CCc2ncnn21)[C@@H]1CC[NH2+]C1 ZINC000886846667 592362220 /nfs/dbraw/zinc/36/22/20/592362220.db2.gz JIDXGCJXIHINMU-MNOVXSKESA-N 2 2 235.335 0.449 20 0 BCADLP CC[N@@H+](C[C@@H]1CCc2ncnn21)[C@@H]1CC[NH2+]C1 ZINC000886846667 592362223 /nfs/dbraw/zinc/36/22/23/592362223.db2.gz JIDXGCJXIHINMU-MNOVXSKESA-N 2 2 235.335 0.449 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCCn2nncc2C1 ZINC000886858195 592369558 /nfs/dbraw/zinc/36/95/58/592369558.db2.gz QMJMDHDFSBBVEM-UHFFFAOYSA-N 2 2 209.297 0.093 20 0 BCADLP C[NH2+]CCC[N@H+]1CCCn2nncc2C1 ZINC000886858195 592369563 /nfs/dbraw/zinc/36/95/63/592369563.db2.gz QMJMDHDFSBBVEM-UHFFFAOYSA-N 2 2 209.297 0.093 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886859955 592371141 /nfs/dbraw/zinc/37/11/41/592371141.db2.gz LURNNICIPLGZPZ-AVGNSLFASA-N 2 2 240.347 0.476 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886859955 592371147 /nfs/dbraw/zinc/37/11/47/592371147.db2.gz LURNNICIPLGZPZ-AVGNSLFASA-N 2 2 240.347 0.476 20 0 BCADLP O=C1OCC[C@H]1[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872443 592377706 /nfs/dbraw/zinc/37/77/06/592377706.db2.gz SFAICVKAZDFXJA-YPMHNXCESA-N 2 2 238.331 0.768 20 0 BCADLP O=C1OCC[C@H]1[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872443 592377710 /nfs/dbraw/zinc/37/77/10/592377710.db2.gz SFAICVKAZDFXJA-YPMHNXCESA-N 2 2 238.331 0.768 20 0 BCADLP C[C@@H]1[C@H](C(=O)NCc2cn(C)c[nH+]2)CC[N@@H+]1C ZINC000890104448 592680574 /nfs/dbraw/zinc/68/05/74/592680574.db2.gz LLISYOXHUCFALT-MWLCHTKSSA-N 2 2 236.319 0.377 20 0 BCADLP C[C@@H]1[C@H](C(=O)NCc2cn(C)c[nH+]2)CC[N@H+]1C ZINC000890104448 592680577 /nfs/dbraw/zinc/68/05/77/592680577.db2.gz LLISYOXHUCFALT-MWLCHTKSSA-N 2 2 236.319 0.377 20 0 BCADLP Cn1c[nH+]c(CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC000890106959 592681264 /nfs/dbraw/zinc/68/12/64/592681264.db2.gz FKIIYBUASLRDQO-UHFFFAOYSA-N 2 2 236.319 0.521 20 0 BCADLP Cc1nonc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000126965606 592725774 /nfs/dbraw/zinc/72/57/74/592725774.db2.gz SPTVXCGMARRAHR-CBAPKCEASA-N 2 2 210.281 0.547 20 0 BCADLP Cc1nonc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000126965606 592725778 /nfs/dbraw/zinc/72/57/78/592725778.db2.gz SPTVXCGMARRAHR-CBAPKCEASA-N 2 2 210.281 0.547 20 0 BCADLP C[C@]1(CC[NH2+][C@@H]2C[NH2+]CCOC2)CC1(F)F ZINC000925705453 634387077 /nfs/dbraw/zinc/38/70/77/634387077.db2.gz BVDRTWJASQHDIE-ZJUUUORDSA-N 2 2 234.290 1.000 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCOC1CCOCC1 ZINC000925877300 635599367 /nfs/dbraw/zinc/59/93/67/635599367.db2.gz HSVHSFDQUMDVRM-WCQYABFASA-N 2 2 242.363 0.770 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCOC1CCOCC1 ZINC000925877401 635599503 /nfs/dbraw/zinc/59/95/03/635599503.db2.gz HSVHSFDQUMDVRM-YPMHNXCESA-N 2 2 242.363 0.770 20 0 BCADLP O=c1cc(C[NH2+]CC[NH+]2CCCC2)cc[nH]1 ZINC000236410708 635599770 /nfs/dbraw/zinc/59/97/70/635599770.db2.gz VIMYPTHZKNSTKV-UHFFFAOYSA-N 2 2 221.304 0.560 20 0 BCADLP Cc1cc(N)nc(NCCn2cc[nH+]c2)[nH+]1 ZINC000891517705 631383602 /nfs/dbraw/zinc/38/36/02/631383602.db2.gz WQAQYYAJAADKPJ-UHFFFAOYSA-N 2 2 218.264 0.676 20 0 BCADLP CNC(=O)[C@H](C)C[N@H+](C)C[C@H]1CCC[NH2+]1 ZINC000234376021 631473144 /nfs/dbraw/zinc/47/31/44/631473144.db2.gz MTUYRJWFWPORTP-NXEZZACHSA-N 2 2 213.325 0.052 20 0 BCADLP CNC(=O)[C@H](C)C[N@@H+](C)C[C@H]1CCC[NH2+]1 ZINC000234376021 631473147 /nfs/dbraw/zinc/47/31/47/631473147.db2.gz MTUYRJWFWPORTP-NXEZZACHSA-N 2 2 213.325 0.052 20 0 BCADLP Cc1nc(N2CCC([NH3+])(CO)CC2)cc[nH+]1 ZINC000309286326 631991129 /nfs/dbraw/zinc/99/11/29/631991129.db2.gz OSDFCCHGKAXNKU-UHFFFAOYSA-N 2 2 222.292 0.075 20 0 BCADLP CC1(C)CNC(=O)[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000926448692 632065111 /nfs/dbraw/zinc/06/51/11/632065111.db2.gz AVWJQOAYZIERGL-KCJUWKMLSA-N 2 2 248.330 0.381 20 0 BCADLP CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001023025156 632108672 /nfs/dbraw/zinc/10/86/72/632108672.db2.gz YAFIQSWETJBTSL-AOOOYVTPSA-N 2 2 236.319 0.517 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000155887547 632119665 /nfs/dbraw/zinc/11/96/65/632119665.db2.gz UPGQKKHIQHKMPX-VXGBXAGGSA-N 2 2 241.379 0.927 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000155887547 632119669 /nfs/dbraw/zinc/11/96/69/632119669.db2.gz UPGQKKHIQHKMPX-VXGBXAGGSA-N 2 2 241.379 0.927 20 0 BCADLP CC(C)[NH2+]Cc1cn(CCn2cc[nH+]c2)nn1 ZINC000052575427 632441540 /nfs/dbraw/zinc/44/15/40/632441540.db2.gz TZFNJPJCWJCFGW-UHFFFAOYSA-N 2 2 234.307 0.673 20 0 BCADLP C[C@H]([NH2+]CCC[NH+](C)C)c1cnnn1C ZINC000924538461 632777362 /nfs/dbraw/zinc/77/73/62/632777362.db2.gz AAUDUZPXKBNZGN-VIFPVBQESA-N 2 2 211.313 0.417 20 0 BCADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+][C@@H](C)C[NH+](C)C ZINC000309255890 632846180 /nfs/dbraw/zinc/84/61/80/632846180.db2.gz PLZLSDXBOZZTDC-OUAUKWLOSA-N 2 2 227.352 0.583 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000335538808 635881153 /nfs/dbraw/zinc/88/11/53/635881153.db2.gz LRDJOKBESSHOQI-GFCCVEGCSA-N 2 2 220.320 0.748 20 0 BCADLP [NH3+][C@@H](CC1CC1)C(=O)NCCn1cc[nH+]c1 ZINC000304346960 635939411 /nfs/dbraw/zinc/93/94/11/635939411.db2.gz JXVOBIYAAMJLLO-JTQLQIEISA-N 2 2 222.292 0.127 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928445671 635949775 /nfs/dbraw/zinc/94/97/75/635949775.db2.gz ZTFUNWMHMPQYJS-VHSXEESVSA-N 2 2 236.319 0.469 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000928445671 635949781 /nfs/dbraw/zinc/94/97/81/635949781.db2.gz ZTFUNWMHMPQYJS-VHSXEESVSA-N 2 2 236.319 0.469 20 0 BCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928553140 636088558 /nfs/dbraw/zinc/08/85/58/636088558.db2.gz DXHSRLWLFPXDQJ-GMTAPVOTSA-N 2 2 248.330 0.344 20 0 BCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928553140 636088561 /nfs/dbraw/zinc/08/85/61/636088561.db2.gz DXHSRLWLFPXDQJ-GMTAPVOTSA-N 2 2 248.330 0.344 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCO)C1 ZINC000328175229 633734255 /nfs/dbraw/zinc/73/42/55/633734255.db2.gz LBGKONCWLNKZHN-MNOVXSKESA-N 2 2 200.326 0.831 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CCO)C1 ZINC000328175229 633734258 /nfs/dbraw/zinc/73/42/58/633734258.db2.gz LBGKONCWLNKZHN-MNOVXSKESA-N 2 2 200.326 0.831 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328447002 633766268 /nfs/dbraw/zinc/76/62/68/633766268.db2.gz OJSHQDUSJZIMLG-KUYXLPFXSA-N 2 2 237.347 0.097 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328511297 633777331 /nfs/dbraw/zinc/77/73/31/633777331.db2.gz BMKPUXVKGIWZTL-YHQUGGNUSA-N 3 2 246.358 0.778 20 0 BCADLP C[C@@H]1COCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309982503 634026756 /nfs/dbraw/zinc/02/67/56/634026756.db2.gz BWBNESQQSGYCSK-QWHCGFSZSA-N 2 2 242.363 0.411 20 0 BCADLP C[C@@H]1COCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309982503 634026761 /nfs/dbraw/zinc/02/67/61/634026761.db2.gz BWBNESQQSGYCSK-QWHCGFSZSA-N 2 2 242.363 0.411 20 0 BCADLP COCCC1(C[NH2+][C@H]2C[NH2+]CCOC2)CCC1 ZINC000925560124 634040314 /nfs/dbraw/zinc/04/03/14/634040314.db2.gz YOXITZVMXXZIBS-LBPRGKRZSA-N 2 2 242.363 0.771 20 0 BCADLP CCC(=O)N1CC[C@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925561463 634043363 /nfs/dbraw/zinc/04/33/63/634043363.db2.gz QLDDHUWIXFDAMB-WOPDTQHZSA-N 2 2 239.363 0.727 20 0 BCADLP CC(C)N1C[C@@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1=O ZINC000925580753 634083404 /nfs/dbraw/zinc/08/34/04/634083404.db2.gz MHYBNRHOGALZQL-SDDRHHMPSA-N 2 2 239.363 0.726 20 0 BCADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CCOC1)C(C)C ZINC000925584324 634091270 /nfs/dbraw/zinc/09/12/70/634091270.db2.gz LGVBQALMUVREGP-MNOVXSKESA-N 2 2 200.326 0.999 20 0 BCADLP CC(C)NC(=O)CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925596205 634115368 /nfs/dbraw/zinc/11/53/68/634115368.db2.gz VGIZLWHJMGUHKP-JTQLQIEISA-N 2 2 227.352 0.631 20 0 BCADLP CC[C@H](C[C@@H](C)CO)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925621190 634180244 /nfs/dbraw/zinc/18/02/44/634180244.db2.gz CXSOIUVBSFXBKT-IJLUTSLNSA-N 2 2 230.352 0.362 20 0 BCADLP C[C@H]1[C@@H]([NH+](C)C)CCN1CC[NH+]1CCOCC1 ZINC000931036888 634188373 /nfs/dbraw/zinc/18/83/73/634188373.db2.gz IWSKFPYNHNZQEL-STQMWFEESA-N 2 2 241.379 0.343 20 0 BCADLP C[NH+](C)CCOCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925650574 634206766 /nfs/dbraw/zinc/20/67/66/634206766.db2.gz WFWLWGZMFQZAFT-LBPRGKRZSA-N 3 2 241.379 0.439 20 0 BCADLP FC(F)OCCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925666213 634240920 /nfs/dbraw/zinc/24/09/20/634240920.db2.gz OVCDLUGFFGTPMC-QMMMGPOBSA-N 2 2 224.251 0.194 20 0 BCADLP COCC[C@H](C)C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925687157 634301105 /nfs/dbraw/zinc/30/11/05/634301105.db2.gz ZLBNGWPEOZJVMV-WDEREUQCSA-N 2 2 216.325 0.237 20 0 BCADLP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]C2)C12CCC2 ZINC000925700077 634369219 /nfs/dbraw/zinc/36/92/19/634369219.db2.gz RILVFUJRXQKINY-MXWKQRLJSA-N 3 2 209.337 0.455 20 0 BCADLP Cn1nccc1[C@H](O)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925891357 635618587 /nfs/dbraw/zinc/61/85/87/635618587.db2.gz VDMNXTWENKBZIL-GHMZBOCLSA-N 2 2 238.335 0.184 20 0 BCADLP C[C@H](C[NH2+]CC1CC[NH+](C)CC1)[NH+](C)C ZINC000054243370 636242631 /nfs/dbraw/zinc/24/26/31/636242631.db2.gz KCDIIBFCECISEQ-LLVKDONJSA-N 3 2 213.369 0.868 20 0 BCADLP CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC000987059403 636620724 /nfs/dbraw/zinc/62/07/24/636620724.db2.gz QPEADOSVJCNYPK-KOLCDFICSA-N 2 2 236.319 0.551 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](C/C=C\Cl)CCCO1 ZINC000313404569 636628507 /nfs/dbraw/zinc/62/85/07/636628507.db2.gz WRZDTRFDJMCPPK-MBMUTDPPSA-N 2 2 204.701 0.789 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](C/C=C\Cl)CCCO1 ZINC000313404569 636628516 /nfs/dbraw/zinc/62/85/16/636628516.db2.gz WRZDTRFDJMCPPK-MBMUTDPPSA-N 2 2 204.701 0.789 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000903461624 637361794 /nfs/dbraw/zinc/36/17/94/637361794.db2.gz WHFKYBWBHPLPQF-WYUUTHIRSA-N 3 2 211.353 0.654 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000903461624 637361816 /nfs/dbraw/zinc/36/18/16/637361816.db2.gz WHFKYBWBHPLPQF-WYUUTHIRSA-N 3 2 211.353 0.654 20 0 BCADLP COC(=O)[C@@]1(F)CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903463795 637364776 /nfs/dbraw/zinc/36/47/76/637364776.db2.gz NDQAZXJTFCGHQD-JFGNBEQYSA-N 2 2 244.310 0.429 20 0 BCADLP COC(=O)[C@@]1(F)CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903463795 637364781 /nfs/dbraw/zinc/36/47/81/637364781.db2.gz NDQAZXJTFCGHQD-JFGNBEQYSA-N 2 2 244.310 0.429 20 0 BCADLP CCn1c[nH+]c2c1CCN(CC(C)(C)[NH3+])C2 ZINC000904433400 637399690 /nfs/dbraw/zinc/39/96/90/637399690.db2.gz NASWSCIJCWGHPW-UHFFFAOYSA-N 2 2 222.336 0.998 20 0 BCADLP C1CC1[C@H]1COC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000904476824 637428040 /nfs/dbraw/zinc/42/80/40/637428040.db2.gz RVPUGSJUIPTDPU-IJLUTSLNSA-N 2 2 210.321 0.753 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905044590 637562337 /nfs/dbraw/zinc/56/23/37/637562337.db2.gz FGCMPYPXAHQYDT-WDEREUQCSA-N 2 2 239.319 0.137 20 0 BCADLP C[C@@H](O)C[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000905517537 637841618 /nfs/dbraw/zinc/84/16/18/637841618.db2.gz DMQNACHFAOPXKP-SECBINFHSA-N 2 2 209.293 0.618 20 0 BCADLP C[C@H]([NH3+])[C@H](C)Nc1cc(N(C)C)[nH+]cn1 ZINC000905636951 637866720 /nfs/dbraw/zinc/86/67/20/637866720.db2.gz DOYVCKKNPJUYAG-YUMQZZPRSA-N 2 2 209.297 0.690 20 0 BCADLP O[C@H](C[NH2+]C/C=C\Cl)C[NH+]1CCCC1 ZINC000905709007 637892446 /nfs/dbraw/zinc/89/24/46/637892446.db2.gz UVMHLEQJLJIKMI-UMBAGQNISA-N 2 2 218.728 0.785 20 0 BCADLP CC[NH+]1CCC([NH2+][C@@H]2CCN(OC)C2=O)CC1 ZINC000905763710 637919425 /nfs/dbraw/zinc/91/94/25/637919425.db2.gz ZKXWUALCUYTELV-LLVKDONJSA-N 2 2 241.335 0.223 20 0 BCADLP Cc1nn(C)c(Cl)c1C[NH2+]C1CC([NH3+])C1 ZINC000906508692 638182296 /nfs/dbraw/zinc/18/22/96/638182296.db2.gz UZHYGTTUGQTXJB-UHFFFAOYSA-N 2 2 228.727 0.961 20 0 BCADLP [NH3+]C1CC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000906510409 638184134 /nfs/dbraw/zinc/18/41/34/638184134.db2.gz IBJBOIAAYDHPEH-KAKVVRBNSA-N 3 2 223.364 0.986 20 0 BCADLP Cn1ncc(Cl)c1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906516971 638186757 /nfs/dbraw/zinc/18/67/57/638186757.db2.gz ARSUCTZOOBXAON-LJGSYFOKSA-N 2 2 214.700 0.653 20 0 BCADLP CC[N@@H+]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000908144387 638580183 /nfs/dbraw/zinc/58/01/83/638580183.db2.gz WMHPFDVKXODISO-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP CC[N@H+]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000908144387 638580188 /nfs/dbraw/zinc/58/01/88/638580188.db2.gz WMHPFDVKXODISO-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[NH2+]CC1 ZINC000911657584 639714209 /nfs/dbraw/zinc/71/42/09/639714209.db2.gz WIKVSMQFRYQFHG-NSHDSACASA-N 2 2 248.330 0.267 20 0 BCADLP C[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000911679288 639719421 /nfs/dbraw/zinc/71/94/21/639719421.db2.gz YDVWDBPCFPYNEK-VIFPVBQESA-N 2 2 224.308 0.314 20 0 BCADLP C[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000911679288 639719433 /nfs/dbraw/zinc/71/94/33/639719433.db2.gz YDVWDBPCFPYNEK-VIFPVBQESA-N 2 2 224.308 0.314 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C[C@H]([NH3+])C(F)F ZINC000911684113 639724580 /nfs/dbraw/zinc/72/45/80/639724580.db2.gz LYBOJAVAHIZVDU-CIUDSAMLSA-N 2 2 249.305 0.697 20 0 BCADLP C[C@H]1C[NH2+]CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000911725291 639751192 /nfs/dbraw/zinc/75/11/92/639751192.db2.gz SIROXEKDSNTOLP-VIFPVBQESA-N 2 2 244.298 0.997 20 0 BCADLP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911752722 639780891 /nfs/dbraw/zinc/78/08/91/639780891.db2.gz XZPGVRZZYFUGNS-MNOVXSKESA-N 2 2 248.330 0.314 20 0 BCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC(C)(C)C[NH3+] ZINC000911762913 639788788 /nfs/dbraw/zinc/78/87/88/639788788.db2.gz RQNIQNKTUDFTCF-RKDXNWHRSA-N 2 2 236.319 0.377 20 0 BCADLP Cc1[nH]c(C[N@@H+](CCO)C[C@H](C)O)c(C)[nH+]1 ZINC000930510980 639792588 /nfs/dbraw/zinc/79/25/88/639792588.db2.gz YYPUTGUZVJAJKB-QMMMGPOBSA-N 2 2 227.308 0.202 20 0 BCADLP Cc1[nH]c(C[N@H+](CCO)C[C@H](C)O)c(C)[nH+]1 ZINC000930510980 639792591 /nfs/dbraw/zinc/79/25/91/639792591.db2.gz YYPUTGUZVJAJKB-QMMMGPOBSA-N 2 2 227.308 0.202 20 0 BCADLP CCCN(C(=O)C[C@@H]([NH3+])C(F)F)[C@H]1CC[NH2+]C1 ZINC000911768405 639794480 /nfs/dbraw/zinc/79/44/80/639794480.db2.gz QECBWWCYRYICKU-DTWKUNHWSA-N 2 2 249.305 0.569 20 0 BCADLP C[C@H](C[NH3+])N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000911812358 639834237 /nfs/dbraw/zinc/83/42/37/639834237.db2.gz YDUXQPJINVGVAV-ZJUUUORDSA-N 2 2 236.319 0.251 20 0 BCADLP C[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C(F)F)[C@H]1C[NH3+] ZINC000911823365 639838072 /nfs/dbraw/zinc/83/80/72/639838072.db2.gz KBTYEFMAHNUWEK-HLTSFMKQSA-N 2 2 249.305 0.555 20 0 BCADLP C[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000911864522 639851518 /nfs/dbraw/zinc/85/15/18/639851518.db2.gz QWWQTMZBIPVTSP-SECBINFHSA-N 2 2 222.292 0.163 20 0 BCADLP CCC([NH3+])(CC)CNC(=O)C[C@H]([NH3+])C(F)F ZINC000911857684 639861517 /nfs/dbraw/zinc/86/15/17/639861517.db2.gz IWBJLPINUCEHLM-ZETCQYMHSA-N 2 2 237.294 0.603 20 0 BCADLP C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1c[nH+]cn1C ZINC000931046882 640041663 /nfs/dbraw/zinc/04/16/63/640041663.db2.gz WUGIZECMADPXBB-ZYHUDNBSSA-N 2 2 222.336 0.945 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cnns3)C[C@@H]2C1 ZINC000931439270 640205959 /nfs/dbraw/zinc/20/59/59/640205959.db2.gz SNJMUXCJWNHUKX-ZJUUUORDSA-N 2 2 238.360 0.922 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cnns3)C[C@@H]2C1 ZINC000931439270 640205963 /nfs/dbraw/zinc/20/59/63/640205963.db2.gz SNJMUXCJWNHUKX-ZJUUUORDSA-N 2 2 238.360 0.922 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cnns3)C[C@@H]2C1 ZINC000931439270 640205970 /nfs/dbraw/zinc/20/59/70/640205970.db2.gz SNJMUXCJWNHUKX-ZJUUUORDSA-N 2 2 238.360 0.922 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cnns3)C[C@@H]2C1 ZINC000931439270 640205975 /nfs/dbraw/zinc/20/59/75/640205975.db2.gz SNJMUXCJWNHUKX-ZJUUUORDSA-N 2 2 238.360 0.922 20 0 BCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912900223 640229748 /nfs/dbraw/zinc/22/97/48/640229748.db2.gz IFXAJWJJISCPAW-LLVKDONJSA-N 2 2 234.303 0.259 20 0 BCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912906522 640234834 /nfs/dbraw/zinc/23/48/34/640234834.db2.gz GJZFIPMHGXGMEM-NSHDSACASA-N 2 2 234.303 0.190 20 0 BCADLP COC(=O)CCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931512247 640239923 /nfs/dbraw/zinc/23/99/23/640239923.db2.gz HOPPXQNWNKTULI-UHFFFAOYSA-N 2 2 249.314 0.975 20 0 BCADLP COC(=O)CCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931512247 640239929 /nfs/dbraw/zinc/23/99/29/640239929.db2.gz HOPPXQNWNKTULI-UHFFFAOYSA-N 2 2 249.314 0.975 20 0 BCADLP CC[C@H](O)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931512369 640241070 /nfs/dbraw/zinc/24/10/70/640241070.db2.gz XVSULTCBCUIUJC-VIFPVBQESA-N 2 2 221.304 0.793 20 0 BCADLP Nc1cc[nH+]c2c1C[N@H+](CCn1cccn1)CC2 ZINC000931511430 640242015 /nfs/dbraw/zinc/24/20/15/640242015.db2.gz MEZLNQWRZJIMKH-UHFFFAOYSA-N 2 2 243.314 0.919 20 0 BCADLP Nc1cc[nH+]c2c1C[N@@H+](CCn1cccn1)CC2 ZINC000931511430 640242019 /nfs/dbraw/zinc/24/20/19/640242019.db2.gz MEZLNQWRZJIMKH-UHFFFAOYSA-N 2 2 243.314 0.919 20 0 BCADLP CC[C@@H](O)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931512368 640242821 /nfs/dbraw/zinc/24/28/21/640242821.db2.gz XVSULTCBCUIUJC-SECBINFHSA-N 2 2 221.304 0.793 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc[nH]1 ZINC000054764951 640405633 /nfs/dbraw/zinc/40/56/33/640405633.db2.gz NYBZOVKTDYVMJL-VIFPVBQESA-N 2 2 205.265 0.785 20 0 BCADLP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717432596 711491081 /nfs/dbraw/zinc/49/10/81/711491081.db2.gz UKKBESBMEFIVTG-WOPDTQHZSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717432596 711491083 /nfs/dbraw/zinc/49/10/83/711491083.db2.gz UKKBESBMEFIVTG-WOPDTQHZSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000717432596 711491085 /nfs/dbraw/zinc/49/10/85/711491085.db2.gz UKKBESBMEFIVTG-WOPDTQHZSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000717432596 711491087 /nfs/dbraw/zinc/49/10/87/711491087.db2.gz UKKBESBMEFIVTG-WOPDTQHZSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@H](C)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000166086601 640612947 /nfs/dbraw/zinc/61/29/47/640612947.db2.gz DVZMOVQCEAIEPK-DCAQKATOSA-N 2 2 216.325 0.378 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030155670 640638948 /nfs/dbraw/zinc/63/89/48/640638948.db2.gz QBMRPWSCHLEGRZ-LLVKDONJSA-N 2 2 243.326 0.241 20 0 BCADLP C[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030155670 640638951 /nfs/dbraw/zinc/63/89/51/640638951.db2.gz QBMRPWSCHLEGRZ-LLVKDONJSA-N 2 2 243.326 0.241 20 0 BCADLP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCOC3=O)C[C@]2(C)C1 ZINC000933742771 640760009 /nfs/dbraw/zinc/76/00/09/640760009.db2.gz RUBYCHVRQVZTDM-FOGDFJRCSA-N 2 2 224.304 0.185 20 0 BCADLP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCOC3=O)C[C@]2(C)C1 ZINC000933742771 640760018 /nfs/dbraw/zinc/76/00/18/640760018.db2.gz RUBYCHVRQVZTDM-FOGDFJRCSA-N 2 2 224.304 0.185 20 0 BCADLP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCOC3=O)C[C@]2(C)C1 ZINC000933742771 640760023 /nfs/dbraw/zinc/76/00/23/640760023.db2.gz RUBYCHVRQVZTDM-FOGDFJRCSA-N 2 2 224.304 0.185 20 0 BCADLP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCOC3=O)C[C@]2(C)C1 ZINC000933742771 640760028 /nfs/dbraw/zinc/76/00/28/640760028.db2.gz RUBYCHVRQVZTDM-FOGDFJRCSA-N 2 2 224.304 0.185 20 0 BCADLP CC(=O)[C@@](C)(O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933734516 640760796 /nfs/dbraw/zinc/76/07/96/640760796.db2.gz UYGGWFKZWJVKOB-AGIUHOORSA-N 2 2 240.347 0.210 20 0 BCADLP CC(=O)[C@@](C)(O)C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933734516 640760799 /nfs/dbraw/zinc/76/07/99/640760799.db2.gz UYGGWFKZWJVKOB-AGIUHOORSA-N 2 2 240.347 0.210 20 0 BCADLP CC(=O)[C@@](C)(O)C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933734516 640760801 /nfs/dbraw/zinc/76/08/01/640760801.db2.gz UYGGWFKZWJVKOB-AGIUHOORSA-N 2 2 240.347 0.210 20 0 BCADLP CC(=O)[C@@](C)(O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933734516 640760805 /nfs/dbraw/zinc/76/08/05/640760805.db2.gz UYGGWFKZWJVKOB-AGIUHOORSA-N 2 2 240.347 0.210 20 0 BCADLP CCCNC(=[NH2+])NCC[NH+]1CCSCC1 ZINC000226757676 640792172 /nfs/dbraw/zinc/79/21/72/640792172.db2.gz HHKSPUCTQJUQKU-UHFFFAOYSA-N 2 2 230.381 0.559 20 0 BCADLP CNc1cc(NC[C@@](C)(O)C[NH+](C)C)nc[nH+]1 ZINC000228048233 640858141 /nfs/dbraw/zinc/85/81/41/640858141.db2.gz GUQQQVOTQFBSDI-LLVKDONJSA-N 2 2 239.323 0.243 20 0 BCADLP CNc1cc(NC[C@@](C)(O)C[NH+](C)C)[nH+]cn1 ZINC000228048233 640858142 /nfs/dbraw/zinc/85/81/42/640858142.db2.gz GUQQQVOTQFBSDI-LLVKDONJSA-N 2 2 239.323 0.243 20 0 BCADLP C[NH2+]CCC[N@H+](C)[C@H]1CCCCNC1=O ZINC000087472596 640897598 /nfs/dbraw/zinc/89/75/98/640897598.db2.gz LITXRMNPEQIKJN-JTQLQIEISA-N 2 2 213.325 0.196 20 0 BCADLP C[NH2+]CCC[N@@H+](C)[C@H]1CCCCNC1=O ZINC000087472596 640897603 /nfs/dbraw/zinc/89/76/03/640897603.db2.gz LITXRMNPEQIKJN-JTQLQIEISA-N 2 2 213.325 0.196 20 0 BCADLP CCC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001030533728 640901834 /nfs/dbraw/zinc/90/18/34/640901834.db2.gz XAFBQYIXECGGDD-LBPRGKRZSA-N 2 2 239.363 0.681 20 0 BCADLP CCC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001030533728 640901836 /nfs/dbraw/zinc/90/18/36/640901836.db2.gz XAFBQYIXECGGDD-LBPRGKRZSA-N 2 2 239.363 0.681 20 0 BCADLP CC[N@H+](C[C@H](O)CC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000307930454 641193128 /nfs/dbraw/zinc/19/31/28/641193128.db2.gz BDKGIVXCURIGNM-RKDXNWHRSA-N 2 2 240.269 0.984 20 0 BCADLP CC[N@@H+](C[C@H](O)CC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000307930454 641193135 /nfs/dbraw/zinc/19/31/35/641193135.db2.gz BDKGIVXCURIGNM-RKDXNWHRSA-N 2 2 240.269 0.984 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934569688 641201137 /nfs/dbraw/zinc/20/11/37/641201137.db2.gz YWQSAMDJVFXTMV-NEPJUHHUSA-N 2 2 241.310 0.986 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934569688 641201147 /nfs/dbraw/zinc/20/11/47/641201147.db2.gz YWQSAMDJVFXTMV-NEPJUHHUSA-N 2 2 241.310 0.986 20 0 BCADLP CCC[NH+]1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001030685219 641211598 /nfs/dbraw/zinc/21/15/98/641211598.db2.gz LAKLIPQRVFYIAU-UHFFFAOYSA-N 2 2 236.319 0.402 20 0 BCADLP [NH3+][C@H]1CC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232148411 641250410 /nfs/dbraw/zinc/25/04/10/641250410.db2.gz OWSCWFCPDDQETC-RYUDHWBXSA-N 2 2 212.337 0.961 20 0 BCADLP [NH3+][C@H]1CC[N@@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232148411 641250416 /nfs/dbraw/zinc/25/04/16/641250416.db2.gz OWSCWFCPDDQETC-RYUDHWBXSA-N 2 2 212.337 0.961 20 0 BCADLP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC000913813846 641486254 /nfs/dbraw/zinc/48/62/54/641486254.db2.gz HUZLQOLFZUTHOG-NEPJUHHUSA-N 2 2 248.330 0.647 20 0 BCADLP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC000913813846 641486258 /nfs/dbraw/zinc/48/62/58/641486258.db2.gz HUZLQOLFZUTHOG-NEPJUHHUSA-N 2 2 248.330 0.647 20 0 BCADLP Cn1c[nH+]cc1CC(=O)NC1C[NH+](CC2CC2)C1 ZINC001031261490 641867969 /nfs/dbraw/zinc/86/79/69/641867969.db2.gz PBGDZMVGNGZQAE-UHFFFAOYSA-N 2 2 248.330 0.173 20 0 BCADLP CCC[NH+]1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001031390874 642060449 /nfs/dbraw/zinc/06/04/49/642060449.db2.gz YDIMKBKSJZHPMI-UHFFFAOYSA-N 2 2 236.319 0.402 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444789574 642186052 /nfs/dbraw/zinc/18/60/52/642186052.db2.gz FELAWVGXLUNHKD-ZJUUUORDSA-N 2 2 236.319 0.473 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444789574 642186060 /nfs/dbraw/zinc/18/60/60/642186060.db2.gz FELAWVGXLUNHKD-ZJUUUORDSA-N 2 2 236.319 0.473 20 0 BCADLP CC[C@@H](CO)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000930060030 642301162 /nfs/dbraw/zinc/30/11/62/642301162.db2.gz AQUHNLAKFLXLHS-NSHDSACASA-N 2 2 238.335 0.313 20 0 BCADLP CC[N@H+](C[C@@H](O)CC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000307930447 642347599 /nfs/dbraw/zinc/34/75/99/642347599.db2.gz BDKGIVXCURIGNM-IUCAKERBSA-N 2 2 240.269 0.984 20 0 BCADLP CC[N@@H+](C[C@@H](O)CC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000307930447 642347601 /nfs/dbraw/zinc/34/76/01/642347601.db2.gz BDKGIVXCURIGNM-IUCAKERBSA-N 2 2 240.269 0.984 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)C[C@@H](O)CC(F)(F)F ZINC000307935425 642349532 /nfs/dbraw/zinc/34/95/32/642349532.db2.gz HJSJBGOEXBIKDT-BQBZGAKWSA-N 2 2 214.231 0.579 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@@H](O)CC(F)(F)F ZINC000307935425 642349535 /nfs/dbraw/zinc/34/95/35/642349535.db2.gz HJSJBGOEXBIKDT-BQBZGAKWSA-N 2 2 214.231 0.579 20 0 BCADLP CC[N@H+](CCC(=O)NC)C[C@H]1CCC[NH2+]1 ZINC000233455454 642669079 /nfs/dbraw/zinc/66/90/79/642669079.db2.gz HWFKVLCZAHBILP-SNVBAGLBSA-N 2 2 213.325 0.196 20 0 BCADLP CC[N@@H+](CCC(=O)NC)C[C@H]1CCC[NH2+]1 ZINC000233455454 642669085 /nfs/dbraw/zinc/66/90/85/642669085.db2.gz HWFKVLCZAHBILP-SNVBAGLBSA-N 2 2 213.325 0.196 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420400774 642723418 /nfs/dbraw/zinc/72/34/18/642723418.db2.gz JZEBEOZKXLXSPB-ZDUSSCGKSA-N 2 2 239.363 0.683 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420400774 642723424 /nfs/dbraw/zinc/72/34/24/642723424.db2.gz JZEBEOZKXLXSPB-ZDUSSCGKSA-N 2 2 239.363 0.683 20 0 BCADLP CCC[N@H+](C[C@@H](O)COCC)[C@@H]1CC[NH2+]C1 ZINC000068953592 642814686 /nfs/dbraw/zinc/81/46/86/642814686.db2.gz CYPMDXBABPRYAD-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP CCC[N@@H+](C[C@@H](O)COCC)[C@@H]1CC[NH2+]C1 ZINC000068953592 642814689 /nfs/dbraw/zinc/81/46/89/642814689.db2.gz CYPMDXBABPRYAD-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000353498417 642857670 /nfs/dbraw/zinc/85/76/70/642857670.db2.gz AFUDCVZYUKYUIJ-KOLCDFICSA-N 2 2 238.335 0.299 20 0 BCADLP CCOC[C@@H](O)C[N@@H+]1CCC[C@H]1C[NH2+]C ZINC000252686618 642891568 /nfs/dbraw/zinc/89/15/68/642891568.db2.gz JYWKXTBBDWCCDW-QWRGUYRKSA-N 2 2 216.325 0.068 20 0 BCADLP CCOC[C@@H](O)C[N@H+]1CCC[C@H]1C[NH2+]C ZINC000252686618 642891570 /nfs/dbraw/zinc/89/15/70/642891570.db2.gz JYWKXTBBDWCCDW-QWRGUYRKSA-N 2 2 216.325 0.068 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCF)C1 ZINC001010383130 642860526 /nfs/dbraw/zinc/86/05/26/642860526.db2.gz RKJQDUCYKBIQFW-WDEREUQCSA-N 2 2 243.326 0.241 20 0 BCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCF)C1 ZINC001010383130 642860527 /nfs/dbraw/zinc/86/05/27/642860527.db2.gz RKJQDUCYKBIQFW-WDEREUQCSA-N 2 2 243.326 0.241 20 0 BCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001010383130 642860534 /nfs/dbraw/zinc/86/05/34/642860534.db2.gz RKJQDUCYKBIQFW-WDEREUQCSA-N 2 2 243.326 0.241 20 0 BCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001010383130 642860536 /nfs/dbraw/zinc/86/05/36/642860536.db2.gz RKJQDUCYKBIQFW-WDEREUQCSA-N 2 2 243.326 0.241 20 0 BCADLP CCOC[C@H](O)C[N@@H+]1CCC[C@H]1C[NH2+]C ZINC000252686619 642890611 /nfs/dbraw/zinc/89/06/11/642890611.db2.gz JYWKXTBBDWCCDW-WDEREUQCSA-N 2 2 216.325 0.068 20 0 BCADLP CCOC[C@H](O)C[N@H+]1CCC[C@H]1C[NH2+]C ZINC000252686619 642890614 /nfs/dbraw/zinc/89/06/14/642890614.db2.gz JYWKXTBBDWCCDW-WDEREUQCSA-N 2 2 216.325 0.068 20 0 BCADLP CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001019437386 643032538 /nfs/dbraw/zinc/03/25/38/643032538.db2.gz LZNUBHYPFMRBFJ-JTQLQIEISA-N 2 2 236.319 0.553 20 0 BCADLP CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001019654247 643038518 /nfs/dbraw/zinc/03/85/18/643038518.db2.gz YJPWBERZKBPNNU-JTQLQIEISA-N 2 2 236.319 0.173 20 0 BCADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H]1CO ZINC000042433535 643133928 /nfs/dbraw/zinc/13/39/28/643133928.db2.gz MLIWIUNCWYASJF-SNVBAGLBSA-N 2 2 200.326 0.831 20 0 BCADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H]1CO ZINC000042433535 643133933 /nfs/dbraw/zinc/13/39/33/643133933.db2.gz MLIWIUNCWYASJF-SNVBAGLBSA-N 2 2 200.326 0.831 20 0 BCADLP CCC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001020635017 643248369 /nfs/dbraw/zinc/24/83/69/643248369.db2.gz ARAKKEFSNDHKGY-MGCOHNPYSA-N 2 2 236.319 0.599 20 0 BCADLP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[NH+](C)CC1 ZINC000082248492 643283400 /nfs/dbraw/zinc/28/34/00/643283400.db2.gz XVCVIHQMPORDIX-NSHDSACASA-N 2 2 227.352 0.395 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000082681369 643368023 /nfs/dbraw/zinc/36/80/23/643368023.db2.gz AGZOSUWAGXSBJE-BDAKNGLRSA-N 2 2 240.269 0.841 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000082681369 643368027 /nfs/dbraw/zinc/36/80/27/643368027.db2.gz AGZOSUWAGXSBJE-BDAKNGLRSA-N 2 2 240.269 0.841 20 0 BCADLP CCC[N@H+](C[C@H](O)COC)[C@@H]1CC[NH2+]C1 ZINC000068892352 643432851 /nfs/dbraw/zinc/43/28/51/643432851.db2.gz ZBVJDNOIOVAXMP-MNOVXSKESA-N 2 2 216.325 0.068 20 0 BCADLP CCC[N@@H+](C[C@H](O)COC)[C@@H]1CC[NH2+]C1 ZINC000068892352 643432852 /nfs/dbraw/zinc/43/28/52/643432852.db2.gz ZBVJDNOIOVAXMP-MNOVXSKESA-N 2 2 216.325 0.068 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC2(C1)OCCO2 ZINC000307345325 643444734 /nfs/dbraw/zinc/44/47/34/643444734.db2.gz ALZIKPQBUFEQMV-UHFFFAOYSA-N 2 2 237.303 0.640 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCC2(C1)OCCO2 ZINC000307345325 643444740 /nfs/dbraw/zinc/44/47/40/643444740.db2.gz ALZIKPQBUFEQMV-UHFFFAOYSA-N 2 2 237.303 0.640 20 0 BCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000050247024 643662846 /nfs/dbraw/zinc/66/28/46/643662846.db2.gz IOVRZIVXHIBPRB-LLVKDONJSA-N 2 2 239.363 0.716 20 0 BCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000050247024 643662852 /nfs/dbraw/zinc/66/28/52/643662852.db2.gz IOVRZIVXHIBPRB-LLVKDONJSA-N 2 2 239.363 0.716 20 0 BCADLP CC[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000999471281 643736896 /nfs/dbraw/zinc/73/68/96/643736896.db2.gz BPUUYKVWWHIBRL-UHFFFAOYSA-N 2 2 236.319 0.551 20 0 BCADLP CC[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001000567377 643791715 /nfs/dbraw/zinc/79/17/15/643791715.db2.gz YDUKQUJDPCNCRB-SNVBAGLBSA-N 2 2 236.319 0.553 20 0 BCADLP CCO[C@H](C[NH2+][C@@H]1CO[C@H](C)C1)C[NH+](C)C ZINC000922756925 644088131 /nfs/dbraw/zinc/08/81/31/644088131.db2.gz UZTDMPCTAGIFHA-GRYCIOLGSA-N 2 2 230.352 0.720 20 0 BCADLP CCO[C@H](C[NH2+][C@H]1CCOC1)C[NH+](C)C ZINC000922757561 644088324 /nfs/dbraw/zinc/08/83/24/644088324.db2.gz HYYPPDMDAWDENF-WDEREUQCSA-N 2 2 216.325 0.332 20 0 BCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC000923267009 644303832 /nfs/dbraw/zinc/30/38/32/644303832.db2.gz UWEGVGKZUFSYER-NWDGAFQWSA-N 2 2 248.330 0.578 20 0 BCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC000923267009 644303835 /nfs/dbraw/zinc/30/38/35/644303835.db2.gz UWEGVGKZUFSYER-NWDGAFQWSA-N 2 2 248.330 0.578 20 0 BCADLP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000923274051 644306862 /nfs/dbraw/zinc/30/68/62/644306862.db2.gz FVKCAVTXKVPPGZ-MNOVXSKESA-N 2 2 216.325 0.053 20 0 BCADLP CC(C)COC[C@@H](O)C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000923274051 644306866 /nfs/dbraw/zinc/30/68/66/644306866.db2.gz FVKCAVTXKVPPGZ-MNOVXSKESA-N 2 2 216.325 0.053 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000923277029 644309776 /nfs/dbraw/zinc/30/97/76/644309776.db2.gz ATKQUYBXOAFJSJ-GHMZBOCLSA-N 2 2 216.325 0.195 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000923277029 644309779 /nfs/dbraw/zinc/30/97/79/644309779.db2.gz ATKQUYBXOAFJSJ-GHMZBOCLSA-N 2 2 216.325 0.195 20 0 BCADLP CCOCCOCC[N@@H+]1CCC[NH2+]CC1 ZINC000923278377 644311024 /nfs/dbraw/zinc/31/10/24/644311024.db2.gz SGTIHFPNEMXFBS-UHFFFAOYSA-N 2 2 216.325 0.335 20 0 BCADLP CCOCCOCC[N@H+]1CCC[NH2+]CC1 ZINC000923278377 644311025 /nfs/dbraw/zinc/31/10/25/644311025.db2.gz SGTIHFPNEMXFBS-UHFFFAOYSA-N 2 2 216.325 0.335 20 0 BCADLP CCOCC[C@H](O)C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000923279711 644311046 /nfs/dbraw/zinc/31/10/46/644311046.db2.gz BMSKIFOYGPUHLL-QWRGUYRKSA-N 2 2 216.325 0.197 20 0 BCADLP CCOCC[C@H](O)C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000923279711 644311048 /nfs/dbraw/zinc/31/10/48/644311048.db2.gz BMSKIFOYGPUHLL-QWRGUYRKSA-N 2 2 216.325 0.197 20 0 BCADLP CC(C)COC[C@@H](O)C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000923282103 644315261 /nfs/dbraw/zinc/31/52/61/644315261.db2.gz QDGKBEFERZXZGG-RYUDHWBXSA-N 2 2 230.352 0.443 20 0 BCADLP CC(C)COC[C@@H](O)C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000923282103 644315264 /nfs/dbraw/zinc/31/52/64/644315264.db2.gz QDGKBEFERZXZGG-RYUDHWBXSA-N 2 2 230.352 0.443 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000923283037 644317312 /nfs/dbraw/zinc/31/73/12/644317312.db2.gz WXWVBDGTLOBBLN-VXGBXAGGSA-N 2 2 230.352 0.586 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000923283037 644317317 /nfs/dbraw/zinc/31/73/17/644317317.db2.gz WXWVBDGTLOBBLN-VXGBXAGGSA-N 2 2 230.352 0.586 20 0 BCADLP CC(C)COC[C@H](O)C[N@H+](C)[C@H](C)C[NH3+] ZINC000923289454 644321989 /nfs/dbraw/zinc/32/19/89/644321989.db2.gz IWSJJLQPHMEMPT-GHMZBOCLSA-N 2 2 218.341 0.299 20 0 BCADLP CC(C)COC[C@H](O)C[N@@H+](C)[C@H](C)C[NH3+] ZINC000923289454 644322001 /nfs/dbraw/zinc/32/20/01/644322001.db2.gz IWSJJLQPHMEMPT-GHMZBOCLSA-N 2 2 218.341 0.299 20 0 BCADLP CSC[C@@H](O)C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000923292314 644327953 /nfs/dbraw/zinc/32/79/53/644327953.db2.gz HRHLEHHAVFWSBL-IUCAKERBSA-N 2 2 204.339 0.133 20 0 BCADLP CSC[C@@H](O)C[N@H+]1CCC[C@H]1C[NH3+] ZINC000923292314 644327955 /nfs/dbraw/zinc/32/79/55/644327955.db2.gz HRHLEHHAVFWSBL-IUCAKERBSA-N 2 2 204.339 0.133 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000923292598 644328073 /nfs/dbraw/zinc/32/80/73/644328073.db2.gz ZKFWJCBKEGGDSH-WCQYABFASA-N 2 2 222.332 0.869 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000923292598 644328076 /nfs/dbraw/zinc/32/80/76/644328076.db2.gz ZKFWJCBKEGGDSH-WCQYABFASA-N 2 2 222.332 0.869 20 0 BCADLP CCOCCOCC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000923293570 644329444 /nfs/dbraw/zinc/32/94/44/644329444.db2.gz UMZRHHAERWBUDS-LLVKDONJSA-N 2 2 216.325 0.463 20 0 BCADLP CCOCCOCC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000923293570 644329447 /nfs/dbraw/zinc/32/94/47/644329447.db2.gz UMZRHHAERWBUDS-LLVKDONJSA-N 2 2 216.325 0.463 20 0 BCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H](O)C(F)(F)F ZINC000923295542 644331516 /nfs/dbraw/zinc/33/15/16/644331516.db2.gz CLCMOYONHGEHHT-HTQZYQBOSA-N 2 2 228.258 0.873 20 0 BCADLP C[N@@H+](Cc1cc[nH]n1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923320968 644349294 /nfs/dbraw/zinc/34/92/94/644349294.db2.gz AKZTYJUCKRWKOR-NSHDSACASA-N 2 2 236.319 0.220 20 0 BCADLP C[N@H+](Cc1cc[nH]n1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923320968 644349297 /nfs/dbraw/zinc/34/92/97/644349297.db2.gz AKZTYJUCKRWKOR-NSHDSACASA-N 2 2 236.319 0.220 20 0 BCADLP COC(=O)c1cncc(C[NH2+]CC2([NH3+])CCC2)c1 ZINC000923331888 644360033 /nfs/dbraw/zinc/36/00/33/644360033.db2.gz ISVAMYVBAZKFON-UHFFFAOYSA-N 2 2 249.314 0.839 20 0 BCADLP [NH3+]CC(C[NH3+])NCCCOCc1ccccc1 ZINC000923354366 644369165 /nfs/dbraw/zinc/36/91/65/644369165.db2.gz MGIWZFLVMFHUMW-UHFFFAOYSA-N 2 2 237.347 0.469 20 0 BCADLP [NH3+]CC(C[NH3+])NCC[C@H]1CCc2ccccc21 ZINC000923359137 644373299 /nfs/dbraw/zinc/37/32/99/644373299.db2.gz MOXSLBKODFVWOM-GFCCVEGCSA-N 2 2 233.359 0.982 20 0 BCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923364942 644374672 /nfs/dbraw/zinc/37/46/72/644374672.db2.gz AZZQGQZSLHZRHO-IJLUTSLNSA-N 2 2 230.352 0.299 20 0 BCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923364942 644374678 /nfs/dbraw/zinc/37/46/78/644374678.db2.gz AZZQGQZSLHZRHO-IJLUTSLNSA-N 2 2 230.352 0.299 20 0 BCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000923364944 644376129 /nfs/dbraw/zinc/37/61/29/644376129.db2.gz AZZQGQZSLHZRHO-TUAOUCFPSA-N 2 2 230.352 0.299 20 0 BCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000923364944 644376131 /nfs/dbraw/zinc/37/61/31/644376131.db2.gz AZZQGQZSLHZRHO-TUAOUCFPSA-N 2 2 230.352 0.299 20 0 BCADLP CCOCCOCC[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000923367124 644377733 /nfs/dbraw/zinc/37/77/33/644377733.db2.gz SHBDTFUOBWAXPQ-QWRGUYRKSA-N 2 2 216.325 0.319 20 0 BCADLP CCOCCOCC[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000923367124 644377737 /nfs/dbraw/zinc/37/77/37/644377737.db2.gz SHBDTFUOBWAXPQ-QWRGUYRKSA-N 2 2 216.325 0.319 20 0 BCADLP CC(C)OC[C@@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923369171 644381009 /nfs/dbraw/zinc/38/10/09/644381009.db2.gz XIKUAOVGUKPARD-DCAQKATOSA-N 2 2 216.325 0.194 20 0 BCADLP CC(C)OC[C@@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923369171 644381011 /nfs/dbraw/zinc/38/10/11/644381011.db2.gz XIKUAOVGUKPARD-DCAQKATOSA-N 2 2 216.325 0.194 20 0 BCADLP CSC[C@@H](O)C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000923379773 644394537 /nfs/dbraw/zinc/39/45/37/644394537.db2.gz LYFHHUZMJJPNPF-WDEREUQCSA-N 2 2 230.377 0.538 20 0 BCADLP CSC[C@@H](O)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000923379773 644394542 /nfs/dbraw/zinc/39/45/42/644394542.db2.gz LYFHHUZMJJPNPF-WDEREUQCSA-N 2 2 230.377 0.538 20 0 BCADLP CCCCOC[C@@H](O)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000923391666 644396201 /nfs/dbraw/zinc/39/62/01/644396201.db2.gz OHHZQTDRENOXNV-CPCZMJQVSA-N 2 2 242.363 0.587 20 0 BCADLP CCCCOC[C@@H](O)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000923391666 644396206 /nfs/dbraw/zinc/39/62/06/644396206.db2.gz OHHZQTDRENOXNV-CPCZMJQVSA-N 2 2 242.363 0.587 20 0 BCADLP CCOC[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923398371 644403797 /nfs/dbraw/zinc/40/37/97/644403797.db2.gz IWODAHLHZASLFU-MNOVXSKESA-N 2 2 228.336 0.258 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCO[C@@H]1CCOC1)C2 ZINC000923399376 644404144 /nfs/dbraw/zinc/40/41/44/644404144.db2.gz QZJZMUICRWNCIW-UPJWGTAASA-N 2 2 240.347 0.605 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCO[C@@H]1CCOC1)C2 ZINC000923399376 644404149 /nfs/dbraw/zinc/40/41/49/644404149.db2.gz QZJZMUICRWNCIW-UPJWGTAASA-N 2 2 240.347 0.605 20 0 BCADLP [NH3+][C@]12CCC[C@H]1C[N@H+](CCO[C@@H]1CCOC1)C2 ZINC000923399378 644404390 /nfs/dbraw/zinc/40/43/90/644404390.db2.gz QZJZMUICRWNCIW-XQQFMLRXSA-N 2 2 240.347 0.605 20 0 BCADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCO[C@@H]1CCOC1)C2 ZINC000923399378 644404394 /nfs/dbraw/zinc/40/43/94/644404394.db2.gz QZJZMUICRWNCIW-XQQFMLRXSA-N 2 2 240.347 0.605 20 0 BCADLP CC[N@H+](CC[NH3+])C[C@H](O)Cc1ccccc1 ZINC000923402556 644407787 /nfs/dbraw/zinc/40/77/87/644407787.db2.gz YCTNPEUWSXJLLX-CYBMUJFWSA-N 2 2 222.332 0.871 20 0 BCADLP CC[N@@H+](CC[NH3+])C[C@H](O)Cc1ccccc1 ZINC000923402556 644407789 /nfs/dbraw/zinc/40/77/89/644407789.db2.gz YCTNPEUWSXJLLX-CYBMUJFWSA-N 2 2 222.332 0.871 20 0 BCADLP CC(C)COC[C@@H](O)C[N@H+](C)C[C@@H](C)[NH3+] ZINC000923408144 644411417 /nfs/dbraw/zinc/41/14/17/644411417.db2.gz AHAJUJSTJHLMKT-MNOVXSKESA-N 2 2 218.341 0.299 20 0 BCADLP CC(C)COC[C@@H](O)C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000923408144 644411425 /nfs/dbraw/zinc/41/14/25/644411425.db2.gz AHAJUJSTJHLMKT-MNOVXSKESA-N 2 2 218.341 0.299 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](C)C[C@H](O)COc1ccccc1 ZINC000923409681 644412332 /nfs/dbraw/zinc/41/23/32/644412332.db2.gz QXIAXNILAXXXMG-NEPJUHHUSA-N 2 2 238.331 0.705 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@H](O)COc1ccccc1 ZINC000923409681 644412335 /nfs/dbraw/zinc/41/23/35/644412335.db2.gz QXIAXNILAXXXMG-NEPJUHHUSA-N 2 2 238.331 0.705 20 0 BCADLP CO[C@@H]1C[N@H+](C[C@H](O)CSC)[C@@](C)(C[NH3+])C1 ZINC000923412166 644414778 /nfs/dbraw/zinc/41/47/78/644414778.db2.gz PSWBVJTUWOICFV-GARJFASQSA-N 2 2 248.392 0.148 20 0 BCADLP CO[C@@H]1C[N@@H+](C[C@H](O)CSC)[C@@](C)(C[NH3+])C1 ZINC000923412166 644414783 /nfs/dbraw/zinc/41/47/83/644414783.db2.gz PSWBVJTUWOICFV-GARJFASQSA-N 2 2 248.392 0.148 20 0 BCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCCCC[C@@H]([NH3+])C2)C1 ZINC000923411525 644415194 /nfs/dbraw/zinc/41/51/94/644415194.db2.gz MWFNEBWBHZEOCD-RHYQMDGZSA-N 3 2 227.352 0.040 20 0 BCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCCCC[C@@H]([NH3+])C2)C1 ZINC000923411525 644415197 /nfs/dbraw/zinc/41/51/97/644415197.db2.gz MWFNEBWBHZEOCD-RHYQMDGZSA-N 3 2 227.352 0.040 20 0 BCADLP C[NH2+]CC[N@H+](C[C@H](O)CSC)C(C)C ZINC000923432501 644426790 /nfs/dbraw/zinc/42/67/90/644426790.db2.gz DNQJTCWXNRDYEI-JTQLQIEISA-N 2 2 220.382 0.640 20 0 BCADLP C[NH2+]CC[N@@H+](C[C@H](O)CSC)C(C)C ZINC000923432501 644426797 /nfs/dbraw/zinc/42/67/97/644426797.db2.gz DNQJTCWXNRDYEI-JTQLQIEISA-N 2 2 220.382 0.640 20 0 BCADLP CN(C)C(=O)CC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923457272 644438351 /nfs/dbraw/zinc/43/83/51/644438351.db2.gz YFXJICXMNNCDQY-WDEREUQCSA-N 2 2 225.336 0.149 20 0 BCADLP CN(C)C(=O)CC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923457272 644438357 /nfs/dbraw/zinc/43/83/57/644438357.db2.gz YFXJICXMNNCDQY-WDEREUQCSA-N 2 2 225.336 0.149 20 0 BCADLP C(CN1CC[NH2+]CC[NH2+]CC1)C1CCC1 ZINC000923461176 644446246 /nfs/dbraw/zinc/44/62/46/644446246.db2.gz TWRYSCVXGMKWKB-UHFFFAOYSA-N 2 2 211.353 0.671 20 0 BCADLP C([C@@H]1C[C@H]2C[C@H]2C1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923460743 644447279 /nfs/dbraw/zinc/44/72/79/644447279.db2.gz QCGSDTLPAACKTP-CLLJXQQHSA-N 2 2 223.364 0.527 20 0 BCADLP C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@]([NH3+])(CO)C2)O1 ZINC000923473866 644451293 /nfs/dbraw/zinc/45/12/93/644451293.db2.gz OMZHZOWQCVJLBZ-GRYCIOLGSA-N 2 2 228.336 0.340 20 0 BCADLP C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@]([NH3+])(CO)C2)O1 ZINC000923473866 644451294 /nfs/dbraw/zinc/45/12/94/644451294.db2.gz OMZHZOWQCVJLBZ-GRYCIOLGSA-N 2 2 228.336 0.340 20 0 BCADLP CCO[C@H](C[N@@H+]1CCC[C@]([NH3+])(CO)C1)C1CC1 ZINC000923475192 644452862 /nfs/dbraw/zinc/45/28/62/644452862.db2.gz OJVZODFKUYOPJF-CHWSQXEVSA-N 2 2 242.363 0.587 20 0 BCADLP CCO[C@H](C[N@H+]1CCC[C@]([NH3+])(CO)C1)C1CC1 ZINC000923475192 644452866 /nfs/dbraw/zinc/45/28/66/644452866.db2.gz OJVZODFKUYOPJF-CHWSQXEVSA-N 2 2 242.363 0.587 20 0 BCADLP CCSCC[N@@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923477284 644455633 /nfs/dbraw/zinc/45/56/33/644455633.db2.gz ORXYFSRSMFFYFX-SNVBAGLBSA-N 2 2 218.366 0.525 20 0 BCADLP CCSCC[N@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923477284 644455637 /nfs/dbraw/zinc/45/56/37/644455637.db2.gz ORXYFSRSMFFYFX-SNVBAGLBSA-N 2 2 218.366 0.525 20 0 BCADLP COC(=O)CCCC[N@@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923473225 644456357 /nfs/dbraw/zinc/45/63/57/644456357.db2.gz KZUJDKPAHDGPDY-GFCCVEGCSA-N 2 2 244.335 0.115 20 0 BCADLP COC(=O)CCCC[N@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923473225 644456363 /nfs/dbraw/zinc/45/63/63/644456363.db2.gz KZUJDKPAHDGPDY-GFCCVEGCSA-N 2 2 244.335 0.115 20 0 BCADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CC[C@@H]1C[NH3+] ZINC000923491540 644467492 /nfs/dbraw/zinc/46/74/92/644467492.db2.gz SQUZYMMGRMRLDD-VXGBXAGGSA-N 3 2 236.363 0.879 20 0 BCADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CC[C@@H]1C[NH3+] ZINC000923491540 644467496 /nfs/dbraw/zinc/46/74/96/644467496.db2.gz SQUZYMMGRMRLDD-VXGBXAGGSA-N 3 2 236.363 0.879 20 0 BCADLP Cc1nc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)no1 ZINC000923498010 644472917 /nfs/dbraw/zinc/47/29/17/644472917.db2.gz NDSJKFNCSMEVTF-SCZZXKLOSA-N 2 2 224.308 0.795 20 0 BCADLP Cc1nc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)no1 ZINC000923498010 644472924 /nfs/dbraw/zinc/47/29/24/644472924.db2.gz NDSJKFNCSMEVTF-SCZZXKLOSA-N 2 2 224.308 0.795 20 0 BCADLP CCOCC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923509538 644478006 /nfs/dbraw/zinc/47/80/06/644478006.db2.gz ROAFBTPYROMYQK-GMTAPVOTSA-N 2 2 216.325 0.053 20 0 BCADLP CCOCC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923509538 644478012 /nfs/dbraw/zinc/47/80/12/644478012.db2.gz ROAFBTPYROMYQK-GMTAPVOTSA-N 2 2 216.325 0.053 20 0 BCADLP COc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)on1 ZINC000923515826 644478968 /nfs/dbraw/zinc/47/89/68/644478968.db2.gz NTHCAODIHHMTLX-VHSXEESVSA-N 2 2 237.303 0.725 20 0 BCADLP COc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)on1 ZINC000923515826 644478973 /nfs/dbraw/zinc/47/89/73/644478973.db2.gz NTHCAODIHHMTLX-VHSXEESVSA-N 2 2 237.303 0.725 20 0 BCADLP COC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516515 644479274 /nfs/dbraw/zinc/47/92/74/644479274.db2.gz IIVXQFXTPYHQFI-KXUCPTDWSA-N 2 2 212.293 0.089 20 0 BCADLP COC(=O)[C@@H](C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516515 644479277 /nfs/dbraw/zinc/47/92/77/644479277.db2.gz IIVXQFXTPYHQFI-KXUCPTDWSA-N 2 2 212.293 0.089 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515988 644481564 /nfs/dbraw/zinc/48/15/64/644481564.db2.gz PTRTVYREXPIPET-NWDGAFQWSA-N 3 2 234.347 0.504 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515988 644481568 /nfs/dbraw/zinc/48/15/68/644481568.db2.gz PTRTVYREXPIPET-NWDGAFQWSA-N 3 2 234.347 0.504 20 0 BCADLP CSC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530431 644486413 /nfs/dbraw/zinc/48/64/13/644486413.db2.gz ISSSMDMNFAYJMY-RYUDHWBXSA-N 2 2 244.404 0.928 20 0 BCADLP CSC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530431 644486416 /nfs/dbraw/zinc/48/64/16/644486416.db2.gz ISSSMDMNFAYJMY-RYUDHWBXSA-N 2 2 244.404 0.928 20 0 BCADLP COC[C@H](C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2)OC ZINC000923533710 644489484 /nfs/dbraw/zinc/48/94/84/644489484.db2.gz NPUCLBRLMKQZRO-STQMWFEESA-N 2 2 242.363 0.866 20 0 BCADLP COC[C@H](C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)OC ZINC000923533710 644489490 /nfs/dbraw/zinc/48/94/90/644489490.db2.gz NPUCLBRLMKQZRO-STQMWFEESA-N 2 2 242.363 0.866 20 0 BCADLP Cn1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091666529 644635064 /nfs/dbraw/zinc/63/50/64/644635064.db2.gz STDVDGJRLWAZEO-ZIAGYGMSSA-N 2 2 249.358 0.978 20 0 BCADLP Cn1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000091666529 644635068 /nfs/dbraw/zinc/63/50/68/644635068.db2.gz STDVDGJRLWAZEO-ZIAGYGMSSA-N 2 2 249.358 0.978 20 0 BCADLP C[C@@H]1C[NH+]=C(NCCCCn2cc[nH+]c2)N1 ZINC000304538536 644915340 /nfs/dbraw/zinc/91/53/40/644915340.db2.gz KDMRESWVWZYYJX-SNVBAGLBSA-N 2 2 221.308 0.601 20 0 BCADLP [NH3+]C1(C[NH2+]CC(=O)Nc2ccc(O)cc2)CCC1 ZINC000843367659 645285213 /nfs/dbraw/zinc/28/52/13/645285213.db2.gz HUEMSAZTAPVELT-UHFFFAOYSA-N 2 2 249.314 0.802 20 0 BCADLP CC(C)[C@H]([NH3+])C(=O)NCc1ccc(N)[nH+]c1 ZINC000927780996 645659247 /nfs/dbraw/zinc/65/92/47/645659247.db2.gz RCBVZPMCBKVZDV-JTQLQIEISA-N 2 2 222.292 0.263 20 0 BCADLP C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000928430933 645749037 /nfs/dbraw/zinc/74/90/37/645749037.db2.gz AMJVLYJJUCDOHP-NXEZZACHSA-N 2 2 222.292 0.092 20 0 BCADLP C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC000928430933 645749042 /nfs/dbraw/zinc/74/90/42/645749042.db2.gz AMJVLYJJUCDOHP-NXEZZACHSA-N 2 2 222.292 0.092 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877371913 645794076 /nfs/dbraw/zinc/79/40/76/645794076.db2.gz QXCIUGGAITUBNQ-GXFFZTMASA-N 2 2 248.330 0.329 20 0 BCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928559636 645820920 /nfs/dbraw/zinc/82/09/20/645820920.db2.gz LIZZNKUUGFGZAE-NSHDSACASA-N 2 2 236.319 0.173 20 0 BCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928559636 645820922 /nfs/dbraw/zinc/82/09/22/645820922.db2.gz LIZZNKUUGFGZAE-NSHDSACASA-N 2 2 236.319 0.173 20 0 BCADLP CC1(C)CNC(=O)[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000924534620 646052884 /nfs/dbraw/zinc/05/28/84/646052884.db2.gz RMEJUPJXBWMXIX-JTQLQIEISA-N 2 2 236.319 0.387 20 0 BCADLP c1cn(CCC[NH2+][C@@H]2CN3C[C@@H]2CCC3)c[nH+]1 ZINC000924533791 646052969 /nfs/dbraw/zinc/05/29/69/646052969.db2.gz LZHSCQIIACCRHU-QWHCGFSZSA-N 2 2 234.347 0.957 20 0 BCADLP c1ncn(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000924825329 646112838 /nfs/dbraw/zinc/11/28/38/646112838.db2.gz QLDSJNCEFHSWBP-CHWSQXEVSA-N 2 2 249.362 0.885 20 0 BCADLP c1ncn(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000924825329 646112842 /nfs/dbraw/zinc/11/28/42/646112842.db2.gz QLDSJNCEFHSWBP-CHWSQXEVSA-N 2 2 249.362 0.885 20 0 BCADLP CC[C@@](C)(O)C[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000924994937 646154238 /nfs/dbraw/zinc/15/42/38/646154238.db2.gz YMFCMKWJUURIQQ-QJPTWQEYSA-N 2 2 212.337 0.831 20 0 BCADLP CC[C@@](C)(O)C[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000924994937 646154242 /nfs/dbraw/zinc/15/42/42/646154242.db2.gz YMFCMKWJUURIQQ-QJPTWQEYSA-N 2 2 212.337 0.831 20 0 BCADLP COCCC[N@H+](C)CC[NH2+][C@H](C)C(C)(C)CO ZINC000925146420 646195216 /nfs/dbraw/zinc/19/52/16/646195216.db2.gz XHVKWRCTAAXBSU-GFCCVEGCSA-N 2 2 246.395 0.951 20 0 BCADLP COCCC[N@@H+](C)CC[NH2+][C@H](C)C(C)(C)CO ZINC000925146420 646195218 /nfs/dbraw/zinc/19/52/18/646195218.db2.gz XHVKWRCTAAXBSU-GFCCVEGCSA-N 2 2 246.395 0.951 20 0 BCADLP CC(C)OCCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925508152 646290299 /nfs/dbraw/zinc/29/02/99/646290299.db2.gz YXCMCTYNZXOMRO-NSHDSACASA-N 2 2 216.325 0.380 20 0 BCADLP C[C@@H](CN1CCCC1=O)[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925506495 646305439 /nfs/dbraw/zinc/30/54/39/646305439.db2.gz RPTUXXMTAKCXCK-QWRGUYRKSA-N 2 2 239.363 0.727 20 0 BCADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCn1cc[nH+]c1 ZINC000925507488 646307868 /nfs/dbraw/zinc/30/78/68/646307868.db2.gz BYFWCIQIVJIWQH-MPEURRAXSA-N 3 2 234.347 0.989 20 0 BCADLP C[C@H](CC[NH2+][C@H]1C[N@@H+]2C[C@@H]1CCC2)[S@@](C)=O ZINC000925549512 646319250 /nfs/dbraw/zinc/31/92/50/646319250.db2.gz MDEZONLGHZWIRW-KZTGVZKYSA-N 2 2 244.404 0.827 20 0 BCADLP C[C@H](CC[NH2+][C@H]1C[N@H+]2C[C@@H]1CCC2)[S@@](C)=O ZINC000925549512 646319256 /nfs/dbraw/zinc/31/92/56/646319256.db2.gz MDEZONLGHZWIRW-KZTGVZKYSA-N 2 2 244.404 0.827 20 0 BCADLP C1CC([NH2+][C@H]2C[NH2+]CCOC2)CCS1 ZINC000925592352 646348755 /nfs/dbraw/zinc/34/87/55/646348755.db2.gz WHPOPRYVTHFVLY-JTQLQIEISA-N 2 2 216.350 0.460 20 0 BCADLP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CCOC2)CCO1 ZINC000925613487 646362166 /nfs/dbraw/zinc/36/21/66/646362166.db2.gz DNVSYNCQNRVYHF-IJLUTSLNSA-N 2 2 228.336 0.380 20 0 BCADLP C(C[C@H]1CCCCO1)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925631487 646376260 /nfs/dbraw/zinc/37/62/60/646376260.db2.gz HKPNUXDZGLABCZ-VXGBXAGGSA-N 2 2 228.336 0.524 20 0 BCADLP C[C@H]([NH2+][C@@H]1C[NH2+]CCOC1)[C@@H]1CCCOC1 ZINC000925630445 646376336 /nfs/dbraw/zinc/37/63/36/646376336.db2.gz BQMPFIIQAFUZNU-QJPTWQEYSA-N 2 2 228.336 0.380 20 0 BCADLP CC(C)[NH2+]C1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000929963211 646379117 /nfs/dbraw/zinc/37/91/17/646379117.db2.gz XDSBUNUEOXRVIF-CYBMUJFWSA-N 2 2 242.363 0.864 20 0 BCADLP COCCC(C)(C)C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925640194 646382271 /nfs/dbraw/zinc/38/22/71/646382271.db2.gz QZIXKLCMUSVDCK-LLVKDONJSA-N 2 2 230.352 0.627 20 0 BCADLP OC[C@H](CC(F)F)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925651622 646392880 /nfs/dbraw/zinc/39/28/80/646392880.db2.gz HOKWBHYKYSJBCP-IUCAKERBSA-N 2 2 234.290 0.877 20 0 BCADLP FC1(F)CC[C@H](C[NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925657918 646393685 /nfs/dbraw/zinc/39/36/85/646393685.db2.gz VHLTYDDSINKGQR-VHSXEESVSA-N 2 2 234.290 1.000 20 0 BCADLP FC1(F)CC[C@@H](C[NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925657916 646393798 /nfs/dbraw/zinc/39/37/98/646393798.db2.gz VHLTYDDSINKGQR-NXEZZACHSA-N 2 2 234.290 1.000 20 0 BCADLP COCC1(CC[NH2+][C@H]2C[NH2+]CCOC2)CCC1 ZINC000925675399 646404494 /nfs/dbraw/zinc/40/44/94/646404494.db2.gz FJRIBMCQIBMQBY-LBPRGKRZSA-N 2 2 242.363 0.771 20 0 BCADLP C[C@@H](CCCCO)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925677931 646407081 /nfs/dbraw/zinc/40/70/81/646407081.db2.gz ASQLFMOBFOHTRX-QWRGUYRKSA-N 2 2 216.325 0.116 20 0 BCADLP C[NH2+]CCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925690759 646416985 /nfs/dbraw/zinc/41/69/85/646416985.db2.gz LAGNUXQSXFNXAN-GRYCIOLGSA-N 3 2 225.380 0.962 20 0 BCADLP COC1CCC([NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925697663 646421664 /nfs/dbraw/zinc/42/16/64/646421664.db2.gz ZESKTKSHSPENRF-MOENNCHZSA-N 2 2 228.336 0.522 20 0 BCADLP CC1(C)C[C@@H]([NH2+]C[C@H]2C[NH2+]CCO2)C[C@@H]([NH3+])C1 ZINC000925704007 646429221 /nfs/dbraw/zinc/42/92/21/646429221.db2.gz FSHGCBAJXSEIIP-GRYCIOLGSA-N 3 2 241.379 0.470 20 0 BCADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000925708589 646433067 /nfs/dbraw/zinc/43/30/67/646433067.db2.gz MLWFCPYFQPJBMA-IFDBITJCSA-N 3 2 241.354 0.792 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CCOCCF ZINC000925717360 646442516 /nfs/dbraw/zinc/44/25/16/646442516.db2.gz TUWHOPWGIDTPJP-SECBINFHSA-N 2 2 204.289 0.703 20 0 BCADLP C1CC12CCC[C@H]2[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925724746 646449770 /nfs/dbraw/zinc/44/97/70/646449770.db2.gz LRZBHJUVEONUPV-WDEREUQCSA-N 2 2 210.321 0.897 20 0 BCADLP C1CC12CCC[C@H]2[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925724718 646450323 /nfs/dbraw/zinc/45/03/23/646450323.db2.gz LRZBHJUVEONUPV-GHMZBOCLSA-N 2 2 210.321 0.897 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCN(C)CC(F)F ZINC000925724314 646450423 /nfs/dbraw/zinc/45/04/23/646450423.db2.gz IZZSFNCDGFHYKV-UWVGGRQHSA-N 2 2 235.322 0.913 20 0 BCADLP CN(CC[NH2+][C@H]1CC[NH2+]C1(C)C)CC(F)F ZINC000925726162 646451946 /nfs/dbraw/zinc/45/19/46/646451946.db2.gz ZVQDLSDIOXSOTK-VIFPVBQESA-N 2 2 235.322 0.913 20 0 BCADLP C[C@H]([NH3+])[C@H]([NH2+]C1CC(C(N)=O)C1)c1ccccc1 ZINC000925728999 646453167 /nfs/dbraw/zinc/45/31/67/646453167.db2.gz NDPQEJCHJQSZFC-ZIUBGBMXSA-N 2 2 247.342 0.928 20 0 BCADLP COCC(C)(C)CC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925728493 646454216 /nfs/dbraw/zinc/45/42/16/646454216.db2.gz CLOGPQPVUXPVIN-LLVKDONJSA-N 2 2 230.352 0.627 20 0 BCADLP CC(C)([NH3+])CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000925736955 646460405 /nfs/dbraw/zinc/46/04/05/646460405.db2.gz LSLFNMDJBFKZTB-NWDGAFQWSA-N 3 2 241.379 0.470 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccn(C)n1 ZINC000925786119 646483681 /nfs/dbraw/zinc/48/36/81/646483681.db2.gz OAGMOMQJHIMIDX-MXWKQRLJSA-N 2 2 222.336 0.926 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1nccn1C ZINC000925793244 646485356 /nfs/dbraw/zinc/48/53/56/646485356.db2.gz XRVUJBJAQCKEEW-MXWKQRLJSA-N 2 2 222.336 0.926 20 0 BCADLP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)[C@H]1CCC[NH2+]1 ZINC000925816405 646491654 /nfs/dbraw/zinc/49/16/54/646491654.db2.gz GOCCUGIWBBLLIG-DGCLKSJQSA-N 3 2 240.395 0.140 20 0 BCADLP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1cn(C)nn1 ZINC000925828156 646499570 /nfs/dbraw/zinc/49/95/70/646499570.db2.gz VGHXLRYTQUDTET-DJLDLDEBSA-N 2 2 211.313 0.592 20 0 BCADLP C1=CCC(CC[NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925834595 646502934 /nfs/dbraw/zinc/50/29/34/646502934.db2.gz ZDNJPSBTKDGRPN-LBPRGKRZSA-N 2 2 210.321 0.921 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CNOC2)[C@@H](C)C1 ZINC000925869768 646520830 /nfs/dbraw/zinc/52/08/30/646520830.db2.gz JQZRJOIXJHUEAG-DCAQKATOSA-N 2 2 213.325 0.210 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CNOC2)[C@@H](C)C1 ZINC000925869768 646520833 /nfs/dbraw/zinc/52/08/33/646520833.db2.gz JQZRJOIXJHUEAG-DCAQKATOSA-N 2 2 213.325 0.210 20 0 BCADLP CCOCCOCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925875771 646526034 /nfs/dbraw/zinc/52/60/34/646526034.db2.gz WETPHYXXCRFZLO-RYUDHWBXSA-N 2 2 230.352 0.770 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879681 646529515 /nfs/dbraw/zinc/52/95/15/646529515.db2.gz IFIVICRNVDPTKJ-NDBYEHHHSA-N 3 2 241.379 0.470 20 0 BCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879683 646529567 /nfs/dbraw/zinc/52/95/67/646529567.db2.gz IFIVICRNVDPTKJ-RNJOBUHISA-N 3 2 241.379 0.470 20 0 BCADLP C([NH2+][C@H]1C[NH2+]CCOC1)[C@]12C[C@H]1CCC2 ZINC000925881020 646531268 /nfs/dbraw/zinc/53/12/68/646531268.db2.gz PUTQAOHBYHTHGD-WOPDTQHZSA-N 2 2 210.321 0.755 20 0 BCADLP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000925881234 646531717 /nfs/dbraw/zinc/53/17/17/646531717.db2.gz GNGYIVMRTWPOLN-SOUVJXGZSA-N 3 2 245.370 0.997 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H](O)c1ccnn1C ZINC000925890464 646533654 /nfs/dbraw/zinc/53/36/54/646533654.db2.gz PMWBJSSQIYMMHO-UMNHJUIQSA-N 2 2 238.335 0.184 20 0 BCADLP C[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)[C@H]1CCC[NH2+]1 ZINC000925890730 646534182 /nfs/dbraw/zinc/53/41/82/646534182.db2.gz QULPRYXNBITTKK-CKYFFXLPSA-N 2 2 238.335 0.184 20 0 BCADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CN3C[C@@H]1CCC3)CC2 ZINC000926228317 646600605 /nfs/dbraw/zinc/60/06/05/646600605.db2.gz GNUCGJAWBNJPSV-RWMBFGLXSA-N 2 2 246.358 0.882 20 0 BCADLP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000926451360 646642292 /nfs/dbraw/zinc/64/22/92/646642292.db2.gz YXYKKTYGSQLGAH-LNLATYFQSA-N 2 2 221.304 0.892 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CC[C@H]1OC ZINC000724190955 711568058 /nfs/dbraw/zinc/56/80/58/711568058.db2.gz BNIQROODYMKUSH-QJPTWQEYSA-N 2 2 230.352 0.408 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CC[C@H]1OC ZINC000724190955 711568060 /nfs/dbraw/zinc/56/80/60/711568060.db2.gz BNIQROODYMKUSH-QJPTWQEYSA-N 2 2 230.352 0.408 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CC[C@H]1OC ZINC000724190955 711568062 /nfs/dbraw/zinc/56/80/62/711568062.db2.gz BNIQROODYMKUSH-QJPTWQEYSA-N 2 2 230.352 0.408 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CC[C@H]1OC ZINC000724190955 711568064 /nfs/dbraw/zinc/56/80/64/711568064.db2.gz BNIQROODYMKUSH-QJPTWQEYSA-N 2 2 230.352 0.408 20 0 BCADLP CCNC(=O)C[N@H+](CC)C[C@@H]1CCCC[NH2+]C1 ZINC000700383309 711991477 /nfs/dbraw/zinc/99/14/77/711991477.db2.gz HZULZVGYGFWGCY-GFCCVEGCSA-N 2 2 241.379 0.834 20 0 BCADLP CCNC(=O)C[N@@H+](CC)C[C@@H]1CCCC[NH2+]C1 ZINC000700383309 711991478 /nfs/dbraw/zinc/99/14/78/711991478.db2.gz HZULZVGYGFWGCY-GFCCVEGCSA-N 2 2 241.379 0.834 20 0 BCADLP CC[NH+](CC)CC[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000379869018 712619383 /nfs/dbraw/zinc/61/93/83/712619383.db2.gz OIXPUYOHJUKWCC-RYUDHWBXSA-N 2 2 241.379 0.975 20 0 BCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000380090119 712685633 /nfs/dbraw/zinc/68/56/33/712685633.db2.gz GNYTZPCIMLVORW-AVGNSLFASA-N 3 2 241.379 0.112 20 0 BCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000380090119 712685634 /nfs/dbraw/zinc/68/56/34/712685634.db2.gz GNYTZPCIMLVORW-AVGNSLFASA-N 3 2 241.379 0.112 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000380144402 712699137 /nfs/dbraw/zinc/69/91/37/712699137.db2.gz WKXYSXIHSDOCQF-UWVGGRQHSA-N 2 2 213.325 0.324 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000380144402 712699138 /nfs/dbraw/zinc/69/91/38/712699138.db2.gz WKXYSXIHSDOCQF-UWVGGRQHSA-N 2 2 213.325 0.324 20 0 BCADLP Cn1c[nH+]cc1CN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720902574 712876136 /nfs/dbraw/zinc/87/61/36/712876136.db2.gz BUYSDGRUVIQLPD-RKDXNWHRSA-N 2 2 248.252 0.742 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCNC(=O)C1(C)C ZINC000721039976 712887571 /nfs/dbraw/zinc/88/75/71/712887571.db2.gz MSUXLFYFMOTOAK-ZJUUUORDSA-N 2 2 225.336 0.052 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCNC(=O)C1(C)C ZINC000721039976 712887573 /nfs/dbraw/zinc/88/75/73/712887573.db2.gz MSUXLFYFMOTOAK-ZJUUUORDSA-N 2 2 225.336 0.052 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCO[C@@H]1CCOC1 ZINC000724926762 710748986 /nfs/dbraw/zinc/74/89/86/710748986.db2.gz UKZSGJVZPRPJEI-YNEHKIRRSA-N 2 2 242.363 0.994 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCO[C@@H]1CCOC1 ZINC000724926762 710748988 /nfs/dbraw/zinc/74/89/88/710748988.db2.gz UKZSGJVZPRPJEI-YNEHKIRRSA-N 2 2 242.363 0.994 20 0 BCADLP CC(C)[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042538268 710791391 /nfs/dbraw/zinc/79/13/91/710791391.db2.gz HXHTYIIWMIRJNO-GFCCVEGCSA-N 2 2 239.363 0.632 20 0 BCADLP CC(C)[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042538268 710791393 /nfs/dbraw/zinc/79/13/93/710791393.db2.gz HXHTYIIWMIRJNO-GFCCVEGCSA-N 2 2 239.363 0.632 20 0 BCADLP CC[NH+]1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001044296508 710823039 /nfs/dbraw/zinc/82/30/39/710823039.db2.gz HNBWYCYADYHBNH-UHFFFAOYSA-N 2 2 225.336 0.245 20 0 BCADLP CCC[NH+]1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001044368373 710825082 /nfs/dbraw/zinc/82/50/82/710825082.db2.gz OLHCFOXIWIRLCV-UHFFFAOYSA-N 2 2 236.319 0.436 20 0 BCADLP CNC(=O)[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000382538482 710973470 /nfs/dbraw/zinc/97/34/70/710973470.db2.gz RMKNMNCTMZTTHP-GFCCVEGCSA-N 2 2 239.363 0.729 20 0 BCADLP CNC(=O)[C@H]1CCCC[N@H+]1CCC[NH2+]C1CC1 ZINC000382538482 710973476 /nfs/dbraw/zinc/97/34/76/710973476.db2.gz RMKNMNCTMZTTHP-GFCCVEGCSA-N 2 2 239.363 0.729 20 0 BCADLP O=C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NCC1CC1 ZINC000383462558 710981162 /nfs/dbraw/zinc/98/11/62/710981162.db2.gz JRAXKDBLPWZWBI-NWDGAFQWSA-N 2 2 237.347 0.054 20 0 BCADLP O=C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NCC1CC1 ZINC000383462558 710981166 /nfs/dbraw/zinc/98/11/66/710981166.db2.gz JRAXKDBLPWZWBI-NWDGAFQWSA-N 2 2 237.347 0.054 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000385592547 711014468 /nfs/dbraw/zinc/01/44/68/711014468.db2.gz IXTCZSXDUKYOKK-BBMNEWJDSA-N 3 2 246.358 0.858 20 0 BCADLP CC(C)OC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000395039259 711201161 /nfs/dbraw/zinc/20/11/61/711201161.db2.gz SHUCSOBZYCJNNQ-NDBYEHHHSA-N 2 2 242.363 0.264 20 0 BCADLP CC(C)OC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000395039259 711201163 /nfs/dbraw/zinc/20/11/63/711201163.db2.gz SHUCSOBZYCJNNQ-NDBYEHHHSA-N 2 2 242.363 0.264 20 0 BCADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1COC(C)(C)C1)C1CC1 ZINC000396549973 711352763 /nfs/dbraw/zinc/35/27/63/711352763.db2.gz VVUUYVRKRXTYBR-ZYHUDNBSSA-N 2 2 242.363 0.599 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1COC(C)(C)C1)C1CC1 ZINC000396549973 711352769 /nfs/dbraw/zinc/35/27/69/711352769.db2.gz VVUUYVRKRXTYBR-ZYHUDNBSSA-N 2 2 242.363 0.599 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCS(C)(=O)=O ZINC000396560566 711355488 /nfs/dbraw/zinc/35/54/88/711355488.db2.gz HUJYLTGQYDOLNM-UWVGGRQHSA-N 2 2 234.365 0.151 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000396587812 711356708 /nfs/dbraw/zinc/35/67/08/711356708.db2.gz AYOOATVLPUPGEK-RYUDHWBXSA-N 3 2 229.368 0.295 20 0 BCADLP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)sn1 ZINC000399028817 711418660 /nfs/dbraw/zinc/41/86/60/711418660.db2.gz IWJQQVFKSKSYEE-MRVPVSSYSA-N 2 2 227.333 0.932 20 0 BCADLP COc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)sn1 ZINC000399028817 711418662 /nfs/dbraw/zinc/41/86/62/711418662.db2.gz IWJQQVFKSKSYEE-MRVPVSSYSA-N 2 2 227.333 0.932 20 0 BCADLP C[N@H+](C[C@@H]1C[C@H]2COC[C@H]2O1)CC(C)(C)[NH3+] ZINC000724600583 710743505 /nfs/dbraw/zinc/74/35/05/710743505.db2.gz NUCBPBRJDAATRW-GARJFASQSA-N 2 2 228.336 0.459 20 0 BCADLP C[N@@H+](C[C@@H]1C[C@H]2COC[C@H]2O1)CC(C)(C)[NH3+] ZINC000724600583 710743507 /nfs/dbraw/zinc/74/35/07/710743507.db2.gz NUCBPBRJDAATRW-GARJFASQSA-N 2 2 228.336 0.459 20 0 BCADLP Cc1n[nH]c(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)n1 ZINC000392449216 711147292 /nfs/dbraw/zinc/14/72/92/711147292.db2.gz IWNQSYNGKZDGJV-BSFRTMCYSA-N 2 2 247.346 0.242 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1NCc1c[nH+]cn1C ZINC000396645276 711362760 /nfs/dbraw/zinc/36/27/60/711362760.db2.gz BYKMIDCYDZVSOJ-ONGXEEELSA-N 2 2 208.309 0.650 20 0 BCADLP CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000396656531 711363186 /nfs/dbraw/zinc/36/31/86/711363186.db2.gz MWBNRJWTTUALTK-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1NCc1c[nH+]cn1C ZINC000396645275 711363295 /nfs/dbraw/zinc/36/32/95/711363295.db2.gz BYKMIDCYDZVSOJ-MWLCHTKSSA-N 2 2 208.309 0.650 20 0 BCADLP Cc1cn(C)nc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000723527402 711515203 /nfs/dbraw/zinc/51/52/03/711515203.db2.gz JCRUDVLFKMEEQJ-JTQLQIEISA-N 2 2 208.309 0.509 20 0 BCADLP Cc1cn(C)nc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000723527402 711515205 /nfs/dbraw/zinc/51/52/05/711515205.db2.gz JCRUDVLFKMEEQJ-JTQLQIEISA-N 2 2 208.309 0.509 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC[C@@H]1OC ZINC000724190958 711568571 /nfs/dbraw/zinc/56/85/71/711568571.db2.gz BNIQROODYMKUSH-SRVKXCTJSA-N 2 2 230.352 0.408 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC[C@@H]1OC ZINC000724190958 711568574 /nfs/dbraw/zinc/56/85/74/711568574.db2.gz BNIQROODYMKUSH-SRVKXCTJSA-N 2 2 230.352 0.408 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CC[C@@H]1OC ZINC000724190958 711568575 /nfs/dbraw/zinc/56/85/75/711568575.db2.gz BNIQROODYMKUSH-SRVKXCTJSA-N 2 2 230.352 0.408 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CC[C@@H]1OC ZINC000724190958 711568578 /nfs/dbraw/zinc/56/85/78/711568578.db2.gz BNIQROODYMKUSH-SRVKXCTJSA-N 2 2 230.352 0.408 20 0 BCADLP C[N@H+](CCO[C@@H]1CCOC1)CC(C)(C)[NH3+] ZINC000724949979 711633964 /nfs/dbraw/zinc/63/39/64/711633964.db2.gz YALWQFFAGOLSPR-SNVBAGLBSA-N 2 2 216.325 0.461 20 0 BCADLP C[N@@H+](CCO[C@@H]1CCOC1)CC(C)(C)[NH3+] ZINC000724949979 711633966 /nfs/dbraw/zinc/63/39/66/711633966.db2.gz YALWQFFAGOLSPR-SNVBAGLBSA-N 2 2 216.325 0.461 20 0 BCADLP CCC[N@H+](CCO[C@H]1CCOC1)[C@H]1CC[NH2+]C1 ZINC000724921085 711628489 /nfs/dbraw/zinc/62/84/89/711628489.db2.gz JQTFSMCFLMUUSK-STQMWFEESA-N 2 2 242.363 0.866 20 0 BCADLP CCC[N@@H+](CCO[C@H]1CCOC1)[C@H]1CC[NH2+]C1 ZINC000724921085 711628490 /nfs/dbraw/zinc/62/84/90/711628490.db2.gz JQTFSMCFLMUUSK-STQMWFEESA-N 2 2 242.363 0.866 20 0 BCADLP C[C@@H]1CC[N@H+](CCO[C@@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000724924592 711629216 /nfs/dbraw/zinc/62/92/16/711629216.db2.gz YIXQNWILOVASJI-FRRDWIJNSA-N 2 2 242.363 0.851 20 0 BCADLP C[C@@H]1CC[N@@H+](CCO[C@@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000724924592 711629218 /nfs/dbraw/zinc/62/92/18/711629218.db2.gz YIXQNWILOVASJI-FRRDWIJNSA-N 2 2 242.363 0.851 20 0 BCADLP O[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccco1 ZINC000925604824 711704845 /nfs/dbraw/zinc/70/48/45/711704845.db2.gz AFMWKYSURNZSJI-SCYBVZLVSA-N 2 2 248.326 0.899 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000925768907 711740610 /nfs/dbraw/zinc/74/06/10/711740610.db2.gz MEGGLJFSSIUHHQ-GUBZILKMSA-N 2 2 246.376 0.292 20 0 BCADLP CCO[C@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000701788345 712029240 /nfs/dbraw/zinc/02/92/40/712029240.db2.gz KSGOXWYSHRQRBL-CXQJBGSLSA-N 2 2 210.321 0.849 20 0 BCADLP CCO[C@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000701788345 712029241 /nfs/dbraw/zinc/02/92/41/712029241.db2.gz KSGOXWYSHRQRBL-CXQJBGSLSA-N 2 2 210.321 0.849 20 0 BCADLP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ncccn2)C1 ZINC000702398599 712048644 /nfs/dbraw/zinc/04/86/44/712048644.db2.gz YVXDQQRBHZGGLW-UWVGGRQHSA-N 2 2 206.293 0.836 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCOCCF ZINC000702653520 712058747 /nfs/dbraw/zinc/05/87/47/712058747.db2.gz FTQKYWCKIZBNSH-NXEZZACHSA-N 2 2 204.289 0.703 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703548708 712078872 /nfs/dbraw/zinc/07/88/72/712078872.db2.gz CQHQKHJBMAGDKC-GXTWGEPZSA-N 3 2 248.374 0.894 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703548708 712078873 /nfs/dbraw/zinc/07/88/73/712078873.db2.gz CQHQKHJBMAGDKC-GXTWGEPZSA-N 3 2 248.374 0.894 20 0 BCADLP C[NH+]1C[C@@H]2C[N@@H+](C[C@]3(C)CCC[NH2+]C3)C[C@@H]2C1 ZINC000706979868 712160284 /nfs/dbraw/zinc/16/02/84/712160284.db2.gz AKFNOZACTCBETG-HZSPNIEDSA-N 3 2 237.391 0.870 20 0 BCADLP C[N@H+]1C[C@@H]2C[NH+](C[C@]3(C)CCC[NH2+]C3)C[C@@H]2C1 ZINC000706979868 712160280 /nfs/dbraw/zinc/16/02/80/712160280.db2.gz AKFNOZACTCBETG-HZSPNIEDSA-N 3 2 237.391 0.870 20 0 BCADLP C[N@@H+]1C[C@@H]2C[NH+](C[C@]3(C)CCC[NH2+]C3)C[C@@H]2C1 ZINC000706979868 712160281 /nfs/dbraw/zinc/16/02/81/712160281.db2.gz AKFNOZACTCBETG-HZSPNIEDSA-N 3 2 237.391 0.870 20 0 BCADLP C[NH+]1C[C@@H]2C[N@H+](C[C@]3(C)CCC[NH2+]C3)C[C@@H]2C1 ZINC000706979868 712160285 /nfs/dbraw/zinc/16/02/85/712160285.db2.gz AKFNOZACTCBETG-HZSPNIEDSA-N 3 2 237.391 0.870 20 0 BCADLP COC1(OC)CC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000711027075 712275732 /nfs/dbraw/zinc/27/57/32/712275732.db2.gz LTCFWKPJHPDBBL-JTQLQIEISA-N 2 2 225.292 0.624 20 0 BCADLP O=C(NCCn1cc[nH+]c1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711238447 712290635 /nfs/dbraw/zinc/29/06/35/712290635.db2.gz ZLQDOJRQVMUJCJ-YPMHNXCESA-N 2 2 248.330 0.532 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CF)C1 ZINC000711466094 712302369 /nfs/dbraw/zinc/30/23/69/712302369.db2.gz DPOYWZRNUVWNNK-RYUDHWBXSA-N 2 2 248.342 0.217 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CF)C1 ZINC000711466094 712302370 /nfs/dbraw/zinc/30/23/70/712302370.db2.gz DPOYWZRNUVWNNK-RYUDHWBXSA-N 2 2 248.342 0.217 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CF)C1 ZINC000711466094 712302371 /nfs/dbraw/zinc/30/23/71/712302371.db2.gz DPOYWZRNUVWNNK-RYUDHWBXSA-N 2 2 248.342 0.217 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CF)C1 ZINC000711466094 712302372 /nfs/dbraw/zinc/30/23/72/712302372.db2.gz DPOYWZRNUVWNNK-RYUDHWBXSA-N 2 2 248.342 0.217 20 0 BCADLP CN(C)c1nc(NC[C@H]2CC[N@@H+]2C)cc[nH+]1 ZINC000712596031 712436314 /nfs/dbraw/zinc/43/63/14/712436314.db2.gz SBZZNLJRRVBGIW-SECBINFHSA-N 2 2 221.308 0.659 20 0 BCADLP CN(C)c1nc(NC[C@H]2CC[N@H+]2C)cc[nH+]1 ZINC000712596031 712436315 /nfs/dbraw/zinc/43/63/15/712436315.db2.gz SBZZNLJRRVBGIW-SECBINFHSA-N 2 2 221.308 0.659 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000714246493 712480079 /nfs/dbraw/zinc/48/00/79/712480079.db2.gz REWVOLZZGPULDV-XWLWVQCSSA-N 2 2 246.376 0.292 20 0 BCADLP CCn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)nn1 ZINC000714434882 712486790 /nfs/dbraw/zinc/48/67/90/712486790.db2.gz OIYYVXFYSPGYOV-DRZSPHRISA-N 2 2 249.362 0.857 20 0 BCADLP CCn1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)nn1 ZINC000714434882 712486791 /nfs/dbraw/zinc/48/67/91/712486791.db2.gz OIYYVXFYSPGYOV-DRZSPHRISA-N 2 2 249.362 0.857 20 0 BCADLP CCCn1cc(C[NH2+]CCn2cc[nH+]c2C)nn1 ZINC000714502389 712492807 /nfs/dbraw/zinc/49/28/07/712492807.db2.gz UTONVBILNLQSLI-UHFFFAOYSA-N 2 2 248.334 0.983 20 0 BCADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CC[NH3+] ZINC000036999263 712528808 /nfs/dbraw/zinc/52/88/08/712528808.db2.gz KTGNUWNHLMQOBB-SNVBAGLBSA-N 2 2 238.335 0.763 20 0 BCADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cn(C)nn1 ZINC000715885807 712539829 /nfs/dbraw/zinc/53/98/29/712539829.db2.gz TZTNHDRXVPZONO-JTQLQIEISA-N 2 2 234.307 0.753 20 0 BCADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cn(C)nn1 ZINC000715887799 712540327 /nfs/dbraw/zinc/54/03/27/712540327.db2.gz COGMFLAAPIUWRF-VIFPVBQESA-N 2 2 220.280 0.362 20 0 BCADLP CCN(CC)C(=O)C[NH2+]C1CC[NH+](C)CC1 ZINC000037249955 712558613 /nfs/dbraw/zinc/55/86/13/712558613.db2.gz AOIGHFLFLNVOCW-UHFFFAOYSA-N 2 2 227.352 0.539 20 0 BCADLP C[C@@H]([NH2+]CC1(C)OCCO1)[C@@H]1CCCC[NH2+]1 ZINC000716888292 712580413 /nfs/dbraw/zinc/58/04/13/712580413.db2.gz NODHBQPJROVMGV-MNOVXSKESA-N 2 2 228.336 0.870 20 0 BCADLP CC[NH+](CC)CC[NH2+][C@@H](C)C[C@H]1CCC(=O)N1 ZINC000379869015 712619370 /nfs/dbraw/zinc/61/93/70/712619370.db2.gz OIXPUYOHJUKWCC-NWDGAFQWSA-N 2 2 241.379 0.975 20 0 BCADLP COCC[C@@H]([NH3+])C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000884221247 712644288 /nfs/dbraw/zinc/64/42/88/712644288.db2.gz NRRBXNJPGORDMV-SNVBAGLBSA-N 2 2 248.286 0.637 20 0 BCADLP C[N@@H+](Cc1ccnc(Cl)c1)C[C@H](O)C[NH3+] ZINC000380030795 712683520 /nfs/dbraw/zinc/68/35/20/712683520.db2.gz QFUPETYTMVVSKY-SECBINFHSA-N 2 2 229.711 0.486 20 0 BCADLP C[N@H+](Cc1ccnc(Cl)c1)C[C@H](O)C[NH3+] ZINC000380030795 712683521 /nfs/dbraw/zinc/68/35/21/712683521.db2.gz QFUPETYTMVVSKY-SECBINFHSA-N 2 2 229.711 0.486 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000380090127 712685661 /nfs/dbraw/zinc/68/56/61/712685661.db2.gz GNYTZPCIMLVORW-YNEHKIRRSA-N 3 2 241.379 0.112 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000380090127 712685663 /nfs/dbraw/zinc/68/56/63/712685663.db2.gz GNYTZPCIMLVORW-YNEHKIRRSA-N 3 2 241.379 0.112 20 0 BCADLP C[C@H](CCO)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000380139859 712698913 /nfs/dbraw/zinc/69/89/13/712698913.db2.gz VGZUQYZEKBZQJH-ZJUUUORDSA-N 2 2 209.293 0.558 20 0 BCADLP C[C@@H](CCO)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000380139851 712699005 /nfs/dbraw/zinc/69/90/05/712699005.db2.gz VGZUQYZEKBZQJH-UWVGGRQHSA-N 2 2 209.293 0.558 20 0 BCADLP COCC(COC)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000384878048 712703986 /nfs/dbraw/zinc/70/39/86/712703986.db2.gz SUIWFQMJOGDIFD-VIFPVBQESA-N 2 2 202.298 0.071 20 0 BCADLP COCC(COC)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000384878048 712703987 /nfs/dbraw/zinc/70/39/87/712703987.db2.gz SUIWFQMJOGDIFD-VIFPVBQESA-N 2 2 202.298 0.071 20 0 BCADLP C[C@H]1[C@H]([NH2+]C2CC[NH+](C)CC2)CCN1C ZINC000719610845 712816801 /nfs/dbraw/zinc/81/68/01/712816801.db2.gz CMTBAYFUEKZNHA-CMPLNLGQSA-N 2 2 211.353 0.763 20 0 BCADLP C[C@H](CO)C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000720349381 712832469 /nfs/dbraw/zinc/83/24/69/712832469.db2.gz DMOXVBUDBVVEQU-TUAOUCFPSA-N 2 2 212.337 0.783 20 0 BCADLP C[C@H](CO)C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000720349381 712832471 /nfs/dbraw/zinc/83/24/71/712832471.db2.gz DMOXVBUDBVVEQU-TUAOUCFPSA-N 2 2 212.337 0.783 20 0 BCADLP C[C@H](CO)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720349381 712832473 /nfs/dbraw/zinc/83/24/73/712832473.db2.gz DMOXVBUDBVVEQU-TUAOUCFPSA-N 2 2 212.337 0.783 20 0 BCADLP C[C@H](CO)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720349381 712832475 /nfs/dbraw/zinc/83/24/75/712832475.db2.gz DMOXVBUDBVVEQU-TUAOUCFPSA-N 2 2 212.337 0.783 20 0 BCADLP COC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000720479099 712845898 /nfs/dbraw/zinc/84/58/98/712845898.db2.gz HFRVLBNTPYCYHT-WOPDTQHZSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@H](O)C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000720479099 712845900 /nfs/dbraw/zinc/84/59/00/712845900.db2.gz HFRVLBNTPYCYHT-WOPDTQHZSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@H](O)C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720479099 712845903 /nfs/dbraw/zinc/84/59/03/712845903.db2.gz HFRVLBNTPYCYHT-WOPDTQHZSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@H](O)C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720479099 712845906 /nfs/dbraw/zinc/84/59/06/712845906.db2.gz HFRVLBNTPYCYHT-WOPDTQHZSA-N 2 2 228.336 0.162 20 0 BCADLP CCOC[C@@H](O)C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720709299 712862066 /nfs/dbraw/zinc/86/20/66/712862066.db2.gz AZXUNRCSKZIALD-UWVGGRQHSA-N 2 2 216.325 0.053 20 0 BCADLP CCOC[C@@H](O)C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720709299 712862065 /nfs/dbraw/zinc/86/20/65/712862065.db2.gz AZXUNRCSKZIALD-UWVGGRQHSA-N 2 2 216.325 0.053 20 0 BCADLP C[NH2+]CC[N@H+](C[C@H](COC)OC)C(C)C ZINC000720775497 712864790 /nfs/dbraw/zinc/86/47/90/712864790.db2.gz HFNMRWZTHOSTRQ-LLVKDONJSA-N 2 2 218.341 0.578 20 0 BCADLP C[NH2+]CC[N@@H+](C[C@H](COC)OC)C(C)C ZINC000720775497 712864791 /nfs/dbraw/zinc/86/47/91/712864791.db2.gz HFNMRWZTHOSTRQ-LLVKDONJSA-N 2 2 218.341 0.578 20 0 BCADLP CN(C)C(=O)CC[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000720915199 712878398 /nfs/dbraw/zinc/87/83/98/712878398.db2.gz RXVIZLRPAMOQSM-GHMZBOCLSA-N 2 2 225.336 0.291 20 0 BCADLP CN(C)C(=O)CC[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000720915199 712878399 /nfs/dbraw/zinc/87/83/99/712878399.db2.gz RXVIZLRPAMOQSM-GHMZBOCLSA-N 2 2 225.336 0.291 20 0 BCADLP Cc1cc[nH+]c(N2CCN3CC[NH2+]C[C@H]3C2)c1 ZINC001164390462 718827924 /nfs/dbraw/zinc/82/79/24/718827924.db2.gz DVUAWFNEADYNBH-LBPRGKRZSA-N 2 2 232.331 0.484 20 0 BCADLP Cc1c[nH+]c(N2CCN3CC[NH2+]C[C@H]3C2)c(N)c1 ZINC001164407424 718837599 /nfs/dbraw/zinc/83/75/99/718837599.db2.gz WPKPZHDPLMXLAT-NSHDSACASA-N 2 2 247.346 0.066 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1nncn1C ZINC000156236616 136213428 /nfs/dbraw/zinc/21/34/28/136213428.db2.gz AZGQAYMMXWIHDK-GARJFASQSA-N 2 2 237.351 0.948 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1nncn1C ZINC000156236616 136213429 /nfs/dbraw/zinc/21/34/29/136213429.db2.gz AZGQAYMMXWIHDK-GARJFASQSA-N 2 2 237.351 0.948 20 0 BCADLP Cc1nnsc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000390324909 398172086 /nfs/dbraw/zinc/17/20/86/398172086.db2.gz JCRJNRAELYWZJE-JTQLQIEISA-N 2 2 244.364 0.249 20 0 BCADLP C[C@H]1[NH2+]CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC000277466192 398174427 /nfs/dbraw/zinc/17/44/27/398174427.db2.gz JGWFZHJFHSVNOR-MNOVXSKESA-N 2 2 236.319 0.482 20 0 BCADLP O=C(CC[C@@H]1CCC[NH2+]1)NCc1c[nH+]c[nH]1 ZINC000390606927 398175176 /nfs/dbraw/zinc/17/51/76/398175176.db2.gz CYALOTTYPWZWNJ-VIFPVBQESA-N 2 2 222.292 0.558 20 0 BCADLP O=C(CC[C@@H]1CCC[NH2+]1)NCc1c[nH]c[nH+]1 ZINC000390606927 398175178 /nfs/dbraw/zinc/17/51/78/398175178.db2.gz CYALOTTYPWZWNJ-VIFPVBQESA-N 2 2 222.292 0.558 20 0 BCADLP c1nc(NC2C[NH2+]C2)cc(N2CCCCC2)[nH+]1 ZINC000258619201 349516159 /nfs/dbraw/zinc/51/61/59/349516159.db2.gz JGZSGKXHTNCNFX-UHFFFAOYSA-N 2 2 233.319 0.851 20 0 BCADLP COC[C@@H](CC(C)C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415094958 398160676 /nfs/dbraw/zinc/16/06/76/398160676.db2.gz KZVVPIXDISQLLD-VXGBXAGGSA-N 2 2 230.352 0.626 20 0 BCADLP c1nc(N[C@H]2CC[NH2+]C2)cc(N2CCOCC2)[nH+]1 ZINC000258703409 349513626 /nfs/dbraw/zinc/51/36/26/349513626.db2.gz RPTFOPGRFZRUQC-JTQLQIEISA-N 2 2 249.318 0.087 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)C(C)(C)CO ZINC000162517308 538923201 /nfs/dbraw/zinc/92/32/01/538923201.db2.gz GQDWJVVWWLFQKB-UHFFFAOYSA-N 2 2 211.309 0.976 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)C(C)(C)CO ZINC000162517308 538923203 /nfs/dbraw/zinc/92/32/03/538923203.db2.gz GQDWJVVWWLFQKB-UHFFFAOYSA-N 2 2 211.309 0.976 20 0 BCADLP CCC[C@H](C[NH2+]C[C@@H]1C[N@H+](C)CCN1C)OC ZINC000386177543 398198532 /nfs/dbraw/zinc/19/85/32/398198532.db2.gz XOKPZBJTQFVWPW-CHWSQXEVSA-N 2 2 243.395 0.637 20 0 BCADLP CCC[C@H](C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C)OC ZINC000386177543 398198535 /nfs/dbraw/zinc/19/85/35/398198535.db2.gz XOKPZBJTQFVWPW-CHWSQXEVSA-N 2 2 243.395 0.637 20 0 BCADLP C[C@@H]1[C@H](C)N(CCn2cc[nH+]c2)CC[N@H+]1C ZINC000334453026 398208040 /nfs/dbraw/zinc/20/80/40/398208040.db2.gz ZVJXUHMWMGFFQH-NEPJUHHUSA-N 2 2 222.336 0.908 20 0 BCADLP C[C@@H]1[C@H](C)N(CCn2cc[nH+]c2)CC[N@@H+]1C ZINC000334453026 398208043 /nfs/dbraw/zinc/20/80/43/398208043.db2.gz ZVJXUHMWMGFFQH-NEPJUHHUSA-N 2 2 222.336 0.908 20 0 BCADLP CO[C@]1(C[NH2+]C[C@@H]2CCC[N@@H+]2C)CCOC1 ZINC000386643306 398214708 /nfs/dbraw/zinc/21/47/08/398214708.db2.gz OSXOFXUPFQZMIZ-RYUDHWBXSA-N 2 2 228.336 0.476 20 0 BCADLP CO[C@]1(C[NH2+]C[C@@H]2CCC[N@H+]2C)CCOC1 ZINC000386643306 398214710 /nfs/dbraw/zinc/21/47/10/398214710.db2.gz OSXOFXUPFQZMIZ-RYUDHWBXSA-N 2 2 228.336 0.476 20 0 BCADLP CO[C@@]1(C[NH2+]C[C@@H]2CCC[N@@H+]2C)CCOC1 ZINC000386643303 398214857 /nfs/dbraw/zinc/21/48/57/398214857.db2.gz OSXOFXUPFQZMIZ-NWDGAFQWSA-N 2 2 228.336 0.476 20 0 BCADLP CO[C@@]1(C[NH2+]C[C@@H]2CCC[N@H+]2C)CCOC1 ZINC000386643303 398214860 /nfs/dbraw/zinc/21/48/60/398214860.db2.gz OSXOFXUPFQZMIZ-NWDGAFQWSA-N 2 2 228.336 0.476 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1(CO)CCOCC1 ZINC000386513944 398211116 /nfs/dbraw/zinc/21/11/16/398211116.db2.gz CITLCTNALHTNNK-LLVKDONJSA-N 2 2 228.336 0.212 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1(CO)CCOCC1 ZINC000386513944 398211118 /nfs/dbraw/zinc/21/11/18/398211118.db2.gz CITLCTNALHTNNK-LLVKDONJSA-N 2 2 228.336 0.212 20 0 BCADLP CC(C)[C@H](O)CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336767431 136221407 /nfs/dbraw/zinc/22/14/07/136221407.db2.gz TVEREWDQLZKYPJ-GRYCIOLGSA-N 2 2 214.353 0.933 20 0 BCADLP CC(C)[C@H](O)CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336767431 136221408 /nfs/dbraw/zinc/22/14/08/136221408.db2.gz TVEREWDQLZKYPJ-GRYCIOLGSA-N 2 2 214.353 0.933 20 0 BCADLP Cc1cc(C)n(CC[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)n1 ZINC000386764442 398219665 /nfs/dbraw/zinc/21/96/65/398219665.db2.gz JCYNYOAKEMXYOP-BXKDBHETSA-N 2 2 222.336 0.779 20 0 BCADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)n1 ZINC000386764442 398219669 /nfs/dbraw/zinc/21/96/69/398219669.db2.gz JCYNYOAKEMXYOP-BXKDBHETSA-N 2 2 222.336 0.779 20 0 BCADLP Cc1cc(NC[C@H](C)N2CC[NH+](C)CC2)nc[nH+]1 ZINC000301265242 178168532 /nfs/dbraw/zinc/16/85/32/178168532.db2.gz WDPAABWGHASGJW-LBPRGKRZSA-N 2 2 249.362 0.833 20 0 BCADLP Cn1cc(CC[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cn1 ZINC000649419569 398220789 /nfs/dbraw/zinc/22/07/89/398220789.db2.gz WIBQOWFGDBQRFM-CHWSQXEVSA-N 2 2 234.347 0.646 20 0 BCADLP Cn1cc(CC[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cn1 ZINC000649419569 398220791 /nfs/dbraw/zinc/22/07/91/398220791.db2.gz WIBQOWFGDBQRFM-CHWSQXEVSA-N 2 2 234.347 0.646 20 0 BCADLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1ccncc1)C1CC1 ZINC000430559807 398227966 /nfs/dbraw/zinc/22/79/66/398227966.db2.gz DVPNYPZNJVNPNK-CYBMUJFWSA-N 2 2 248.330 0.159 20 0 BCADLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1ccncc1)C1CC1 ZINC000430559808 398228321 /nfs/dbraw/zinc/22/83/21/398228321.db2.gz DVPNYPZNJVNPNK-ZDUSSCGKSA-N 2 2 248.330 0.159 20 0 BCADLP CC[C@@H](C)NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430569533 398228959 /nfs/dbraw/zinc/22/89/59/398228959.db2.gz LNEFBHKHVMBQNM-PWSUYJOCSA-N 2 2 229.368 0.864 20 0 BCADLP CCCCNC(=O)CC[N@@H+]1CCC[C@H]1C[NH2+]C ZINC000430573562 398229140 /nfs/dbraw/zinc/22/91/40/398229140.db2.gz ROVZVUQAWBONMB-LBPRGKRZSA-N 2 2 241.379 0.977 20 0 BCADLP CCCCNC(=O)CC[N@H+]1CCC[C@H]1C[NH2+]C ZINC000430573562 398229143 /nfs/dbraw/zinc/22/91/43/398229143.db2.gz ROVZVUQAWBONMB-LBPRGKRZSA-N 2 2 241.379 0.977 20 0 BCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000334317555 136225353 /nfs/dbraw/zinc/22/53/53/136225353.db2.gz QPIRVTMACBGXHE-WDEREUQCSA-N 2 2 225.336 0.243 20 0 BCADLP C[C@H]1C[NH+](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000334317555 136225354 /nfs/dbraw/zinc/22/53/54/136225354.db2.gz QPIRVTMACBGXHE-WDEREUQCSA-N 2 2 225.336 0.243 20 0 BCADLP C[C@H]1C[NH+](C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000334317555 136225355 /nfs/dbraw/zinc/22/53/55/136225355.db2.gz QPIRVTMACBGXHE-WDEREUQCSA-N 2 2 225.336 0.243 20 0 BCADLP CCNC(=O)C[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000390759443 398245595 /nfs/dbraw/zinc/24/55/95/398245595.db2.gz LFSDWXNTSZMPKN-NSHDSACASA-N 2 2 213.325 0.054 20 0 BCADLP CCNC(=O)C[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000390759443 398245596 /nfs/dbraw/zinc/24/55/96/398245596.db2.gz LFSDWXNTSZMPKN-NSHDSACASA-N 2 2 213.325 0.054 20 0 BCADLP COc1cccc(C[N@H+](C)C[C@@H](O)C[NH3+])c1F ZINC000310591506 488176575 /nfs/dbraw/zinc/17/65/75/488176575.db2.gz ZNROBXVRLJNNNO-JTQLQIEISA-N 2 2 242.294 0.586 20 0 BCADLP COc1cccc(C[N@@H+](C)C[C@@H](O)C[NH3+])c1F ZINC000310591506 488176581 /nfs/dbraw/zinc/17/65/81/488176581.db2.gz ZNROBXVRLJNNNO-JTQLQIEISA-N 2 2 242.294 0.586 20 0 BCADLP C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1[nH]cc[nH+]1 ZINC000286045900 538943257 /nfs/dbraw/zinc/94/32/57/538943257.db2.gz KTYYSJZFBGBUDX-GHMZBOCLSA-N 2 2 238.335 0.517 20 0 BCADLP C[N@H+](CCC[NH3+])CC(=O)NCC1CCC1 ZINC000381329578 398252304 /nfs/dbraw/zinc/25/23/04/398252304.db2.gz SMUYXFXVTUFBRL-UHFFFAOYSA-N 2 2 213.325 0.183 20 0 BCADLP C[N@@H+](CCC[NH3+])CC(=O)NCC1CCC1 ZINC000381329578 398252308 /nfs/dbraw/zinc/25/23/08/398252308.db2.gz SMUYXFXVTUFBRL-UHFFFAOYSA-N 2 2 213.325 0.183 20 0 BCADLP CC[N@H+](CC(=O)NCc1c[nH+]cn1C)C1CC1 ZINC000291143391 538947542 /nfs/dbraw/zinc/94/75/42/538947542.db2.gz GFLMQGPAHPQGNF-UHFFFAOYSA-N 2 2 236.319 0.521 20 0 BCADLP CC[N@@H+](CC(=O)NCc1c[nH+]cn1C)C1CC1 ZINC000291143391 538947543 /nfs/dbraw/zinc/94/75/43/538947543.db2.gz GFLMQGPAHPQGNF-UHFFFAOYSA-N 2 2 236.319 0.521 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)[C@@H]1C ZINC000386023220 398263288 /nfs/dbraw/zinc/26/32/88/398263288.db2.gz WANNTBHEKATOMB-IJLUTSLNSA-N 2 2 239.363 0.395 20 0 BCADLP C[C@H](C[NH2+][C@H]1CO[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000647185000 398267129 /nfs/dbraw/zinc/26/71/29/398267129.db2.gz LLXCHYRNGXYYFI-FRRDWIJNSA-N 2 2 242.363 0.722 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCCC[C@@H]1O ZINC000378775070 346831680 /nfs/dbraw/zinc/83/16/80/346831680.db2.gz HHMJVPQJMCPFQY-YFKTTZPYSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCCC[C@@H]1O ZINC000378775070 346831685 /nfs/dbraw/zinc/83/16/85/346831685.db2.gz HHMJVPQJMCPFQY-YFKTTZPYSA-N 2 2 212.337 0.830 20 0 BCADLP C([NH2+]C1CC1)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000381830236 398275116 /nfs/dbraw/zinc/27/51/16/398275116.db2.gz NIEBTZATOZIRMM-MRVPVSSYSA-N 2 2 208.265 0.746 20 0 BCADLP C[C@@H]1CO[C@H](CO)C[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000162279006 349612238 /nfs/dbraw/zinc/61/22/38/349612238.db2.gz MKPNUXARRBAXRC-AGIUHOORSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1CO[C@H](CO)C[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000162279006 349612241 /nfs/dbraw/zinc/61/22/41/349612241.db2.gz MKPNUXARRBAXRC-AGIUHOORSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1CO[C@H](CO)C[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000162279006 349612243 /nfs/dbraw/zinc/61/22/43/349612243.db2.gz MKPNUXARRBAXRC-AGIUHOORSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1CO[C@H](CO)C[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000162279006 349612248 /nfs/dbraw/zinc/61/22/48/349612248.db2.gz MKPNUXARRBAXRC-AGIUHOORSA-N 2 2 242.363 0.552 20 0 BCADLP CCOCC[N@@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000165661393 361843318 /nfs/dbraw/zinc/84/33/18/361843318.db2.gz HLWYNHSCDWBJQZ-MNOVXSKESA-N 2 2 216.325 0.461 20 0 BCADLP CCOCC[N@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000165661393 361843322 /nfs/dbraw/zinc/84/33/22/361843322.db2.gz HLWYNHSCDWBJQZ-MNOVXSKESA-N 2 2 216.325 0.461 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]CC[N@H+](C)C(C)C ZINC000167194444 361861840 /nfs/dbraw/zinc/86/18/40/361861840.db2.gz XLZLHSVQSXFSSJ-JTQLQIEISA-N 2 2 215.341 0.441 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]CC[N@@H+](C)C(C)C ZINC000167194444 361861845 /nfs/dbraw/zinc/86/18/45/361861845.db2.gz XLZLHSVQSXFSSJ-JTQLQIEISA-N 2 2 215.341 0.441 20 0 BCADLP O[C@@]1(C2CC2)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000366917076 398281746 /nfs/dbraw/zinc/28/17/46/398281746.db2.gz NHPJNDDPQRYQEU-LBPRGKRZSA-N 2 2 221.304 0.730 20 0 BCADLP O[C@@]1(C2CC2)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000366917076 398281750 /nfs/dbraw/zinc/28/17/50/398281750.db2.gz NHPJNDDPQRYQEU-LBPRGKRZSA-N 2 2 221.304 0.730 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC000629983156 361869343 /nfs/dbraw/zinc/86/93/43/361869343.db2.gz PLALENFGUMJLCH-UHFFFAOYSA-N 2 2 239.363 0.680 20 0 BCADLP Cc1ncc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000309691661 342788897 /nfs/dbraw/zinc/78/88/97/342788897.db2.gz JNRKXTWUOOCWGK-VXGBXAGGSA-N 2 2 218.304 0.436 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)NC1CC[NH2+]CC1 ZINC000630047562 361915709 /nfs/dbraw/zinc/91/57/09/361915709.db2.gz AKICEKRGCUJWEU-UHFFFAOYSA-N 2 2 234.303 0.685 20 0 BCADLP Cc1cc[nH+]c(NCC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000624677868 342818079 /nfs/dbraw/zinc/81/80/79/342818079.db2.gz AGHWWCJODBYFKT-LLVKDONJSA-N 2 2 221.304 0.869 20 0 BCADLP Cc1cc[nH+]c(NCC[N@H+]2CC[C@@H](O)C2)c1 ZINC000624677868 342818081 /nfs/dbraw/zinc/81/80/81/342818081.db2.gz AGHWWCJODBYFKT-LLVKDONJSA-N 2 2 221.304 0.869 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCC[C@H]1O ZINC000333784436 398317022 /nfs/dbraw/zinc/31/70/22/398317022.db2.gz FDEHLRBYMNBKLQ-YVECIDJPSA-N 2 2 242.363 0.647 20 0 BCADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[NH+](C)CC1 ZINC000351511742 136246793 /nfs/dbraw/zinc/24/67/93/136246793.db2.gz CPKMWMBSPGBYKP-LBPRGKRZSA-N 2 2 241.379 0.927 20 0 BCADLP CCc1nnc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)[nH]1 ZINC000392365373 398325445 /nfs/dbraw/zinc/32/54/45/398325445.db2.gz VAMVFOBQESDDLL-UWVGGRQHSA-N 2 2 237.351 0.939 20 0 BCADLP CCc1nnc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)[nH]1 ZINC000392365373 398325447 /nfs/dbraw/zinc/32/54/47/398325447.db2.gz VAMVFOBQESDDLL-UWVGGRQHSA-N 2 2 237.351 0.939 20 0 BCADLP C[C@H]([NH3+])CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000037476462 398327945 /nfs/dbraw/zinc/32/79/45/398327945.db2.gz LOGDWRXFBPRCRL-IUCAKERBSA-N 2 2 210.281 0.125 20 0 BCADLP COC[C@@H](C)C[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000189502629 346890683 /nfs/dbraw/zinc/89/06/83/346890683.db2.gz KXYQDTRRIRYPDK-LBPRGKRZSA-N 2 2 244.379 0.657 20 0 BCADLP COC[C@@H](C)C[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000189502629 346890686 /nfs/dbraw/zinc/89/06/86/346890686.db2.gz KXYQDTRRIRYPDK-LBPRGKRZSA-N 2 2 244.379 0.657 20 0 BCADLP FC1(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000580311279 346891269 /nfs/dbraw/zinc/89/12/69/346891269.db2.gz DJCAJCFULOSLKP-NSHDSACASA-N 2 2 227.327 0.468 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCO[C@@H](C)C1 ZINC000381149918 344018959 /nfs/dbraw/zinc/01/89/59/344018959.db2.gz OSWLWUXVTJLJCQ-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCO[C@@H](C)C1 ZINC000381149918 344018961 /nfs/dbraw/zinc/01/89/61/344018961.db2.gz OSWLWUXVTJLJCQ-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000381149918 344018964 /nfs/dbraw/zinc/01/89/64/344018964.db2.gz OSWLWUXVTJLJCQ-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCO[C@@H](C)C1 ZINC000381149918 344018966 /nfs/dbraw/zinc/01/89/66/344018966.db2.gz OSWLWUXVTJLJCQ-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)NCC[C@@H](C)[NH3+] ZINC000493186991 529553627 /nfs/dbraw/zinc/55/36/27/529553627.db2.gz LJVQYBDLYHYQNQ-ORAHPGNNSA-N 2 2 236.319 0.770 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)NCC[NH2+]C ZINC000493705411 529554162 /nfs/dbraw/zinc/55/41/62/529554162.db2.gz JVDXWBSLNFVCLL-SNAWJCMRSA-N 2 2 222.292 0.252 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N[C@H](C)C[NH3+] ZINC000493287655 529556052 /nfs/dbraw/zinc/55/60/52/529556052.db2.gz CJQRGZYBYOEADD-XNPJLODASA-N 2 2 222.292 0.380 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N(C)[C@H](C)C[NH3+] ZINC000493846610 529556947 /nfs/dbraw/zinc/55/69/47/529556947.db2.gz OKHBZLKQFFCJSO-WWQCOOJYSA-N 2 2 236.319 0.722 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000493092830 529557696 /nfs/dbraw/zinc/55/76/96/529557696.db2.gz IQKZCELUDXJWSL-DOGVGXBMSA-N 2 2 248.330 0.737 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000493081437 529560674 /nfs/dbraw/zinc/56/06/74/529560674.db2.gz HARNQNCGUOCZPV-NRAIBSHISA-N 2 2 236.319 0.768 20 0 BCADLP CC(=O)N1CCC([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000358411490 187215542 /nfs/dbraw/zinc/21/55/42/187215542.db2.gz YYEPDNDQJQSVSD-MFKMUULPSA-N 2 2 239.363 0.537 20 0 BCADLP CC(=O)N1CCC([NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000358411490 187215544 /nfs/dbraw/zinc/21/55/44/187215544.db2.gz YYEPDNDQJQSVSD-MFKMUULPSA-N 2 2 239.363 0.537 20 0 BCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000359123051 187215925 /nfs/dbraw/zinc/21/59/25/187215925.db2.gz RFMFLANLXBRDPD-LLVKDONJSA-N 2 2 236.319 0.900 20 0 BCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000359123051 187215927 /nfs/dbraw/zinc/21/59/27/187215927.db2.gz RFMFLANLXBRDPD-LLVKDONJSA-N 2 2 236.319 0.900 20 0 BCADLP CC(C)[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000361228304 187218524 /nfs/dbraw/zinc/21/85/24/187218524.db2.gz IPLJHHAJJCOXJX-NWDGAFQWSA-N 2 2 241.379 0.960 20 0 BCADLP CC(C)[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000361228304 187218525 /nfs/dbraw/zinc/21/85/25/187218525.db2.gz IPLJHHAJJCOXJX-NWDGAFQWSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000309459293 259343179 /nfs/dbraw/zinc/34/31/79/259343179.db2.gz OKCQHZOKKRKDKZ-BQBZGAKWSA-N 2 2 208.265 0.586 20 0 BCADLP O=c1c2c([nH]n1CCCn1cc[nH+]c1)CC[NH2+]C2 ZINC000634633728 343046584 /nfs/dbraw/zinc/04/65/84/343046584.db2.gz DTRQAWUXUWSRMX-SNVBAGLBSA-N 2 2 247.302 0.081 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1CO ZINC000314616170 259345483 /nfs/dbraw/zinc/34/54/83/259345483.db2.gz REVCOZMKHOAMMG-LBPRGKRZSA-N 2 2 223.320 0.809 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1CO ZINC000314616170 259345485 /nfs/dbraw/zinc/34/54/85/259345485.db2.gz REVCOZMKHOAMMG-LBPRGKRZSA-N 2 2 223.320 0.809 20 0 BCADLP Cn1cnc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000236140339 343079853 /nfs/dbraw/zinc/07/98/53/343079853.db2.gz HZRLVFCBYVIFDQ-IUCAKERBSA-N 2 2 209.297 0.175 20 0 BCADLP Cn1cnc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000236139757 343079864 /nfs/dbraw/zinc/07/98/64/343079864.db2.gz HZRLVFCBYVIFDQ-DTWKUNHWSA-N 2 2 209.297 0.175 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)Cn1cccn1 ZINC000049235048 343096949 /nfs/dbraw/zinc/09/69/49/343096949.db2.gz JQMBOWKGRKPJGH-RYUDHWBXSA-N 2 2 249.318 0.119 20 0 BCADLP CC(C)[C@H](C[NH3+])C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000044806110 187231843 /nfs/dbraw/zinc/23/18/43/187231843.db2.gz HAZUVHZVVXXQFA-MNOVXSKESA-N 2 2 238.335 0.619 20 0 BCADLP CC(C)[C@H](C[NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000044805315 187232114 /nfs/dbraw/zinc/23/21/14/187232114.db2.gz PNQSQAFRJBUQSO-JTQLQIEISA-N 2 2 224.308 0.230 20 0 BCADLP C[C@@]1(C(=O)Nc2ccc(N)[nH+]c2)CC[NH2+]C1 ZINC000237518140 343147310 /nfs/dbraw/zinc/14/73/10/343147310.db2.gz QAIOFFVLVAMVBB-LLVKDONJSA-N 2 2 220.276 0.602 20 0 BCADLP [NH3+]C1CC[NH+](CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000092721586 343148471 /nfs/dbraw/zinc/14/84/71/343148471.db2.gz ICWGRQHUPYVUGY-BETUJISGSA-N 2 2 239.363 0.273 20 0 BCADLP C[N@@H+]1CCN(C(=O)CC2CCCC2)[C@@H](C[NH3+])C1 ZINC000120774255 343133638 /nfs/dbraw/zinc/13/36/38/343133638.db2.gz AAFBEWSCEVVRMS-LBPRGKRZSA-N 2 2 239.363 0.668 20 0 BCADLP C[N@H+]1CCN(C(=O)CC2CCCC2)[C@@H](C[NH3+])C1 ZINC000120774255 343133640 /nfs/dbraw/zinc/13/36/40/343133640.db2.gz AAFBEWSCEVVRMS-LBPRGKRZSA-N 2 2 239.363 0.668 20 0 BCADLP C[NH+]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000170040110 136270153 /nfs/dbraw/zinc/27/01/53/136270153.db2.gz YXCZFOJICNLSQR-LLVKDONJSA-N 2 2 248.330 0.220 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC000627655288 343155236 /nfs/dbraw/zinc/15/52/36/343155236.db2.gz KQXJTZVRIVOSPR-IWIIMEHWSA-N 2 2 248.330 0.361 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000124508123 343162539 /nfs/dbraw/zinc/16/25/39/343162539.db2.gz WYMWKYJJVOZWPN-SRVKXCTJSA-N 2 2 241.379 0.959 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000124508123 343162540 /nfs/dbraw/zinc/16/25/40/343162540.db2.gz WYMWKYJJVOZWPN-SRVKXCTJSA-N 2 2 241.379 0.959 20 0 BCADLP Cc1[nH]ncc1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000330679125 187242329 /nfs/dbraw/zinc/24/23/29/187242329.db2.gz XJRRHIVOGXHQBW-UHFFFAOYSA-N 2 2 238.335 0.264 20 0 BCADLP Cn1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000123992230 343166720 /nfs/dbraw/zinc/16/67/20/343166720.db2.gz BYGIMWJTPYZZOF-AOOOYVTPSA-N 2 2 206.293 0.071 20 0 BCADLP Cn1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000123992230 343166721 /nfs/dbraw/zinc/16/67/21/343166721.db2.gz BYGIMWJTPYZZOF-AOOOYVTPSA-N 2 2 206.293 0.071 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000133607899 343185506 /nfs/dbraw/zinc/18/55/06/343185506.db2.gz RNIBRKNROLGCML-VHSXEESVSA-N 2 2 213.325 0.323 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000133607899 343185508 /nfs/dbraw/zinc/18/55/08/343185508.db2.gz RNIBRKNROLGCML-VHSXEESVSA-N 2 2 213.325 0.323 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCCCn1cc[nH+]c1 ZINC000156862417 343199259 /nfs/dbraw/zinc/19/92/59/343199259.db2.gz MJWRTPLCAOJUMI-GHMZBOCLSA-N 2 2 238.335 0.763 20 0 BCADLP C[C@H]1CC[N@H+](Cc2ncnn2C)C[C@@H]1C[NH3+] ZINC000167668055 343209517 /nfs/dbraw/zinc/20/95/17/343209517.db2.gz IAUGGENEKOUDLS-UWVGGRQHSA-N 2 2 223.324 0.232 20 0 BCADLP C[C@H]1CC[N@@H+](Cc2ncnn2C)C[C@@H]1C[NH3+] ZINC000167668055 343209518 /nfs/dbraw/zinc/20/95/18/343209518.db2.gz IAUGGENEKOUDLS-UWVGGRQHSA-N 2 2 223.324 0.232 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NCC1CC1 ZINC000133600096 343191197 /nfs/dbraw/zinc/19/11/97/343191197.db2.gz SAJKGMBOXUSMKX-ONGXEEELSA-N 2 2 225.336 0.324 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NCC1CC1 ZINC000133600096 343191200 /nfs/dbraw/zinc/19/12/00/343191200.db2.gz SAJKGMBOXUSMKX-ONGXEEELSA-N 2 2 225.336 0.324 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@@H](C)Cn1cc[nH+]c1 ZINC000134848895 343191283 /nfs/dbraw/zinc/19/12/83/343191283.db2.gz KEPXUPKVQVGTSH-QMMMGPOBSA-N 2 2 248.290 0.765 20 0 BCADLP Cc1ccncc1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000135502114 343193330 /nfs/dbraw/zinc/19/33/30/343193330.db2.gz LFBUVOPXRGBUIC-ZDUSSCGKSA-N 2 2 234.347 0.465 20 0 BCADLP Cc1ccncc1CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000135502114 343193332 /nfs/dbraw/zinc/19/33/32/343193332.db2.gz LFBUVOPXRGBUIC-ZDUSSCGKSA-N 2 2 234.347 0.465 20 0 BCADLP CC1(C)C[C@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CCO1 ZINC000634685901 343224592 /nfs/dbraw/zinc/22/45/92/343224592.db2.gz XPXOPZRSQHTPNH-VXGBXAGGSA-N 2 2 242.363 0.600 20 0 BCADLP CC1(C)C[C@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)CCO1 ZINC000634685901 343224594 /nfs/dbraw/zinc/22/45/94/343224594.db2.gz XPXOPZRSQHTPNH-VXGBXAGGSA-N 2 2 242.363 0.600 20 0 BCADLP c1[nH]cc(Cn2cc(C[NH2+]C3CC3)nn2)[nH+]1 ZINC000641035346 362146261 /nfs/dbraw/zinc/14/62/61/362146261.db2.gz JWNQAEUFSUOODL-UHFFFAOYSA-N 2 2 218.264 0.302 20 0 BCADLP c1[nH]cc(Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)[nH+]1 ZINC000641035285 362146136 /nfs/dbraw/zinc/14/61/36/362146136.db2.gz HDUPWYWUGGXKTP-SNVBAGLBSA-N 2 2 246.318 0.592 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)[C@@H]1CCCCNC1=O ZINC000161553294 136277267 /nfs/dbraw/zinc/27/72/67/136277267.db2.gz BRSKDNIJFAMKEV-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCCCNC1=O ZINC000161553294 136277268 /nfs/dbraw/zinc/27/72/68/136277268.db2.gz BRSKDNIJFAMKEV-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP Cn1nccc1CC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000634688413 343246538 /nfs/dbraw/zinc/24/65/38/343246538.db2.gz ROWDNBKQYLAWLE-UHFFFAOYSA-N 2 2 220.320 0.386 20 0 BCADLP Cn1nccc1CC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000634688413 343246540 /nfs/dbraw/zinc/24/65/40/343246540.db2.gz ROWDNBKQYLAWLE-UHFFFAOYSA-N 2 2 220.320 0.386 20 0 BCADLP C[NH+](C)CC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000043802888 488209985 /nfs/dbraw/zinc/20/99/85/488209985.db2.gz PCKQDYVFEHTAOO-CYBMUJFWSA-N 3 2 241.379 0.248 20 0 BCADLP CC[NH+](CC)Cc1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641035007 362146896 /nfs/dbraw/zinc/14/68/96/362146896.db2.gz AHPGCHRHSTXQOS-UHFFFAOYSA-N 2 2 234.307 0.891 20 0 BCADLP Cc1cnc(CC[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)nc1 ZINC000340107497 136286153 /nfs/dbraw/zinc/28/61/53/136286153.db2.gz FCIILGCZASCVRD-NEPJUHHUSA-N 2 2 234.347 0.867 20 0 BCADLP Cc1cnc(CC[NH2+][C@H]2C[N@H+](C)C[C@H]2C)nc1 ZINC000340107497 136286154 /nfs/dbraw/zinc/28/61/54/136286154.db2.gz FCIILGCZASCVRD-NEPJUHHUSA-N 2 2 234.347 0.867 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[NH2+]CC1 ZINC000348755018 136297075 /nfs/dbraw/zinc/29/70/75/136297075.db2.gz DWTFNFFRHLUIHB-UHFFFAOYSA-N 3 2 222.336 0.877 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+]1CCC[NH2+]CC1 ZINC000348755018 136297076 /nfs/dbraw/zinc/29/70/76/136297076.db2.gz DWTFNFFRHLUIHB-UHFFFAOYSA-N 3 2 222.336 0.877 20 0 BCADLP Cc1[nH+]ccn1CCCN1CCC[NH2+]CC1 ZINC000348755018 136297077 /nfs/dbraw/zinc/29/70/77/136297077.db2.gz DWTFNFFRHLUIHB-UHFFFAOYSA-N 2 2 222.336 0.877 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000036999318 343330160 /nfs/dbraw/zinc/33/01/60/343330160.db2.gz JVYRBNWAIPAAJH-MNOVXSKESA-N 2 2 236.319 0.530 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000036999325 343330225 /nfs/dbraw/zinc/33/02/25/343330225.db2.gz UUBZKABRNUJYIQ-QWRGUYRKSA-N 2 2 236.319 0.387 20 0 BCADLP Cc1cc(CNC(=O)N[C@@H]2CC[NH2+]C2)cc(C)[nH+]1 ZINC000335608768 136298460 /nfs/dbraw/zinc/29/84/60/136298460.db2.gz IQYAQROTJMNYNG-GFCCVEGCSA-N 2 2 248.330 0.860 20 0 BCADLP CC[C@@](C)([NH3+])c1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000641053778 362164285 /nfs/dbraw/zinc/16/42/85/362164285.db2.gz NUWMSJLSRZSHKP-LLVKDONJSA-N 2 2 234.307 0.644 20 0 BCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[NH2+]C1 ZINC000036287131 343314577 /nfs/dbraw/zinc/31/45/77/343314577.db2.gz JAINAHASNGCHET-SNVBAGLBSA-N 2 2 222.292 0.141 20 0 BCADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000038049218 343368108 /nfs/dbraw/zinc/36/81/08/343368108.db2.gz CZSUPAOQEXNBAE-GHMZBOCLSA-N 2 2 236.319 0.659 20 0 BCADLP Cc1nn(C)cc1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000335635320 136300711 /nfs/dbraw/zinc/30/07/11/136300711.db2.gz KBAQAPJCOWKZBK-SKDRFNHKSA-N 2 2 222.336 0.816 20 0 BCADLP CCCC[C@@H]([NH3+])C(=O)NCc1[nH]cc[nH+]1 ZINC000070646650 343337879 /nfs/dbraw/zinc/33/78/79/343337879.db2.gz PHSBDIHKORBMTN-MRVPVSSYSA-N 2 2 210.281 0.543 20 0 BCADLP CC(C)[C@H](C[NH3+])C(=O)NCc1[nH]cc[nH+]1 ZINC000070646429 343337969 /nfs/dbraw/zinc/33/79/69/343337969.db2.gz ISQBJRXFBPXMSV-QMMMGPOBSA-N 2 2 210.281 0.257 20 0 BCADLP CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CC[NH2+]C1 ZINC000037469723 343346251 /nfs/dbraw/zinc/34/62/51/343346251.db2.gz VPYABCZHRUGSHG-SNVBAGLBSA-N 2 2 222.292 0.094 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000335677356 136319065 /nfs/dbraw/zinc/31/90/65/136319065.db2.gz LMJACIZRSHUQJC-WDEREUQCSA-N 2 2 222.336 0.947 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000335677356 136319066 /nfs/dbraw/zinc/31/90/66/136319066.db2.gz LMJACIZRSHUQJC-WDEREUQCSA-N 2 2 222.336 0.947 20 0 BCADLP C[NH2+]Cc1cn(Cc2c[nH+]ccc2C)nn1 ZINC000641070484 362179779 /nfs/dbraw/zinc/17/97/79/362179779.db2.gz GOTBDIQSKNBVTO-UHFFFAOYSA-N 2 2 217.276 0.749 20 0 BCADLP CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000036999433 187259612 /nfs/dbraw/zinc/25/96/12/187259612.db2.gz VVSQTLKZFHGHSI-MNOVXSKESA-N 2 2 238.335 0.761 20 0 BCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000041051010 343414293 /nfs/dbraw/zinc/41/42/93/343414293.db2.gz GSJVCWRYWKUQSV-ZJUUUORDSA-N 2 2 224.308 0.373 20 0 BCADLP CCNC(=O)[C@@H](C)[NH2+]Cc1c[nH+]cn1C ZINC000082393968 343440810 /nfs/dbraw/zinc/44/08/10/343440810.db2.gz UODXJZCOEMWXDU-MRVPVSSYSA-N 2 2 210.281 0.034 20 0 BCADLP c1cn(CC[N@H+]2CCC[C@H]3COC[C@H]32)c[nH+]1 ZINC000367093850 136350330 /nfs/dbraw/zinc/35/03/30/136350330.db2.gz VIKBFQRDSJVDSQ-NWDGAFQWSA-N 2 2 221.304 0.994 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000349189143 136330833 /nfs/dbraw/zinc/33/08/33/136330833.db2.gz FEWZOYQLRVOSCX-QWHCGFSZSA-N 3 2 243.395 0.494 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000349189143 136330834 /nfs/dbraw/zinc/33/08/34/136330834.db2.gz FEWZOYQLRVOSCX-QWHCGFSZSA-N 3 2 243.395 0.494 20 0 BCADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000081900906 343433784 /nfs/dbraw/zinc/43/37/84/343433784.db2.gz FBOMVVZNLZZLBQ-UWVGGRQHSA-N 2 2 236.381 0.349 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cn1 ZINC000335889268 136358224 /nfs/dbraw/zinc/35/82/24/136358224.db2.gz LFVCIEOCZNOFIB-CHWSQXEVSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cn1 ZINC000335889268 136358225 /nfs/dbraw/zinc/35/82/25/136358225.db2.gz LFVCIEOCZNOFIB-CHWSQXEVSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cn1 ZINC000335889268 136358226 /nfs/dbraw/zinc/35/82/26/136358226.db2.gz LFVCIEOCZNOFIB-CHWSQXEVSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cn1 ZINC000335889268 136358227 /nfs/dbraw/zinc/35/82/27/136358227.db2.gz LFVCIEOCZNOFIB-CHWSQXEVSA-N 2 2 234.347 0.946 20 0 BCADLP CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351114059 136367945 /nfs/dbraw/zinc/36/79/45/136367945.db2.gz JPUWETJXFVCODU-QCNOEVLYSA-N 2 2 239.363 0.700 20 0 BCADLP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000310564999 343537605 /nfs/dbraw/zinc/53/76/05/343537605.db2.gz XCYLXCRGNZBMOJ-YNEHKIRRSA-N 2 2 244.379 0.798 20 0 BCADLP CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000310564999 343537606 /nfs/dbraw/zinc/53/76/06/343537606.db2.gz XCYLXCRGNZBMOJ-YNEHKIRRSA-N 2 2 244.379 0.798 20 0 BCADLP CC[C@@H]1CO[C@@H](C)C[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000310564999 343537608 /nfs/dbraw/zinc/53/76/08/343537608.db2.gz XCYLXCRGNZBMOJ-YNEHKIRRSA-N 2 2 244.379 0.798 20 0 BCADLP CC[C@@H]1CO[C@@H](C)C[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000310564999 343537609 /nfs/dbraw/zinc/53/76/09/343537609.db2.gz XCYLXCRGNZBMOJ-YNEHKIRRSA-N 2 2 244.379 0.798 20 0 BCADLP COC[C@]1(C(=O)Nc2cc[nH+]cc2C)CC[NH2+]C1 ZINC000310791837 343576095 /nfs/dbraw/zinc/57/60/95/343576095.db2.gz AZVZCVFLPVPRDC-ZDUSSCGKSA-N 2 2 249.314 0.955 20 0 BCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnnn1C ZINC000577026128 365773721 /nfs/dbraw/zinc/77/37/21/365773721.db2.gz ITJZORMDUZQACS-ZYHUDNBSSA-N 2 2 237.351 0.587 20 0 BCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnnn1C ZINC000577026128 365773723 /nfs/dbraw/zinc/77/37/23/365773723.db2.gz ITJZORMDUZQACS-ZYHUDNBSSA-N 2 2 237.351 0.587 20 0 BCADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnnn1C ZINC000577026128 365773727 /nfs/dbraw/zinc/77/37/27/365773727.db2.gz ITJZORMDUZQACS-ZYHUDNBSSA-N 2 2 237.351 0.587 20 0 BCADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnnn1C ZINC000577026128 365773731 /nfs/dbraw/zinc/77/37/31/365773731.db2.gz ITJZORMDUZQACS-ZYHUDNBSSA-N 2 2 237.351 0.587 20 0 BCADLP CCOC(=O)C[N@H+](CCC[NH3+])C(C)C ZINC000071048424 343594474 /nfs/dbraw/zinc/59/44/74/343594474.db2.gz CSIMQHOKNQKYDJ-UHFFFAOYSA-N 2 2 202.298 0.609 20 0 BCADLP CCOC(=O)C[N@@H+](CCC[NH3+])C(C)C ZINC000071048424 343594476 /nfs/dbraw/zinc/59/44/76/343594476.db2.gz CSIMQHOKNQKYDJ-UHFFFAOYSA-N 2 2 202.298 0.609 20 0 BCADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000335868402 344036154 /nfs/dbraw/zinc/03/61/54/344036154.db2.gz ACXLKFKPGSDTKK-VXGBXAGGSA-N 2 2 239.363 0.491 20 0 BCADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000335868402 344036158 /nfs/dbraw/zinc/03/61/58/344036158.db2.gz ACXLKFKPGSDTKK-VXGBXAGGSA-N 2 2 239.363 0.491 20 0 BCADLP CC(C)NC(=O)CC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625436969 343734230 /nfs/dbraw/zinc/73/42/30/343734230.db2.gz JXQGSZTYPPAPLN-UHFFFAOYSA-N 2 2 236.319 0.683 20 0 BCADLP CC(C)NC(=O)CC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625436969 343734233 /nfs/dbraw/zinc/73/42/33/343734233.db2.gz JXQGSZTYPPAPLN-UHFFFAOYSA-N 2 2 236.319 0.683 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150826110 349862625 /nfs/dbraw/zinc/86/26/25/349862625.db2.gz IKIINSAKBSXBOB-GHMZBOCLSA-N 2 2 225.336 0.278 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150826110 349862628 /nfs/dbraw/zinc/86/26/28/349862628.db2.gz IKIINSAKBSXBOB-GHMZBOCLSA-N 2 2 225.336 0.278 20 0 BCADLP C[C@@H](CCC[NH3+])NC(=O)CCn1cc[nH+]c1 ZINC000381070727 343931884 /nfs/dbraw/zinc/93/18/84/343931884.db2.gz OFYYMESWMGVILK-JTQLQIEISA-N 2 2 224.308 0.517 20 0 BCADLP Cc1[nH]c(CN2CC[NH+](CCO)CC2)[nH+]c1C ZINC000628117043 343966534 /nfs/dbraw/zinc/96/65/34/343966534.db2.gz PQRPIOFPFZBKKF-UHFFFAOYSA-N 2 2 238.335 0.136 20 0 BCADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cncn1C ZINC000122720181 187356905 /nfs/dbraw/zinc/35/69/05/187356905.db2.gz CSKIKPXECBSZIG-JQWIXIFHSA-N 2 2 222.336 0.850 20 0 BCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cncn1C ZINC000122720181 187356906 /nfs/dbraw/zinc/35/69/06/187356906.db2.gz CSKIKPXECBSZIG-JQWIXIFHSA-N 2 2 222.336 0.850 20 0 BCADLP C[N@@H+]1CCOC[C@H]1CNc1[nH]c2ccccc2[nH+]1 ZINC000624619923 344106476 /nfs/dbraw/zinc/10/64/76/344106476.db2.gz PULSPOFIFNLTPT-SNVBAGLBSA-N 2 2 246.314 0.727 20 0 BCADLP C[N@H+]1CCOC[C@H]1CNc1[nH]c2ccccc2[nH+]1 ZINC000624619923 344106478 /nfs/dbraw/zinc/10/64/78/344106478.db2.gz PULSPOFIFNLTPT-SNVBAGLBSA-N 2 2 246.314 0.727 20 0 BCADLP Cn1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)nn1 ZINC000634732884 344108193 /nfs/dbraw/zinc/10/81/93/344108193.db2.gz RFNRMHWRGXETDI-JTQLQIEISA-N 2 2 237.351 0.683 20 0 BCADLP C[NH+]1CCN(CCNc2cc[nH+]cc2F)CC1 ZINC000641269593 362339901 /nfs/dbraw/zinc/33/99/01/362339901.db2.gz SPYGQAOQQNZGRL-UHFFFAOYSA-N 2 2 238.310 0.302 20 0 BCADLP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3CCCNC3=O)C2)C1 ZINC000335919068 344086916 /nfs/dbraw/zinc/08/69/16/344086916.db2.gz JMSNNJNSAVCJAK-WCQYABFASA-N 2 2 237.347 0.293 20 0 BCADLP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCCNC3=O)C2)C1 ZINC000335919068 344086918 /nfs/dbraw/zinc/08/69/18/344086918.db2.gz JMSNNJNSAVCJAK-WCQYABFASA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCCNC3=O)C2)C1 ZINC000335919068 344086919 /nfs/dbraw/zinc/08/69/19/344086919.db2.gz JMSNNJNSAVCJAK-WCQYABFASA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCCNC3=O)C2)C1 ZINC000335919068 344086922 /nfs/dbraw/zinc/08/69/22/344086922.db2.gz JMSNNJNSAVCJAK-WCQYABFASA-N 2 2 237.347 0.293 20 0 BCADLP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CCCNC3=O)C2)C1 ZINC000335919069 344087114 /nfs/dbraw/zinc/08/71/14/344087114.db2.gz JMSNNJNSAVCJAK-YPMHNXCESA-N 2 2 237.347 0.293 20 0 BCADLP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCCNC3=O)C2)C1 ZINC000335919069 344087116 /nfs/dbraw/zinc/08/71/16/344087116.db2.gz JMSNNJNSAVCJAK-YPMHNXCESA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCCNC3=O)C2)C1 ZINC000335919069 344087118 /nfs/dbraw/zinc/08/71/18/344087118.db2.gz JMSNNJNSAVCJAK-YPMHNXCESA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCCNC3=O)C2)C1 ZINC000335919069 344087119 /nfs/dbraw/zinc/08/71/19/344087119.db2.gz JMSNNJNSAVCJAK-YPMHNXCESA-N 2 2 237.347 0.293 20 0 BCADLP C[C@H]([NH3+])CC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000622044973 344229342 /nfs/dbraw/zinc/22/93/42/344229342.db2.gz YZDLLPWKMBKROS-DCAQKATOSA-N 3 2 215.341 0.080 20 0 BCADLP C[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2F)CC1 ZINC000641339629 362370035 /nfs/dbraw/zinc/37/00/35/362370035.db2.gz AROMDCAHCBNVLP-SNVBAGLBSA-N 2 2 239.294 0.724 20 0 BCADLP O=C(CCn1cc[nH+]c1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634767787 344279047 /nfs/dbraw/zinc/27/90/47/344279047.db2.gz KAWCEZDLDPGANW-YPMHNXCESA-N 2 2 248.330 0.532 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634769668 344284093 /nfs/dbraw/zinc/28/40/93/344284093.db2.gz JUHFSEKCCJSGHS-MFKMUULPSA-N 2 2 248.330 0.519 20 0 BCADLP c1cn(CC[N@@H+]2C[C@@H]3COC[C@@H]3C2)c[nH+]1 ZINC000634779823 344316952 /nfs/dbraw/zinc/31/69/52/344316952.db2.gz HLALTSDVKJMRKK-PHIMTYICSA-N 2 2 207.277 0.461 20 0 BCADLP c1cn(CC[N@H+]2C[C@@H]3COC[C@@H]3C2)c[nH+]1 ZINC000634779823 344316954 /nfs/dbraw/zinc/31/69/54/344316954.db2.gz HLALTSDVKJMRKK-PHIMTYICSA-N 2 2 207.277 0.461 20 0 BCADLP C[C@H](C(=O)N1CCCCC1)[N@@H+]1CCC[NH2+]CC1 ZINC000034939726 344327183 /nfs/dbraw/zinc/32/71/83/344327183.db2.gz KQIUBUOJEYWWIF-GFCCVEGCSA-N 2 2 239.363 0.683 20 0 BCADLP C[C@H](C(=O)N1CCCCC1)[N@H+]1CCC[NH2+]CC1 ZINC000034939726 344327185 /nfs/dbraw/zinc/32/71/85/344327185.db2.gz KQIUBUOJEYWWIF-GFCCVEGCSA-N 2 2 239.363 0.683 20 0 BCADLP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1[nH+]ccn1C ZINC000620599710 344334169 /nfs/dbraw/zinc/33/41/69/344334169.db2.gz HZACVQGULDFHLD-UWVGGRQHSA-N 2 2 236.319 0.549 20 0 BCADLP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1[nH+]ccn1C ZINC000620599710 344334170 /nfs/dbraw/zinc/33/41/70/344334170.db2.gz HZACVQGULDFHLD-UWVGGRQHSA-N 2 2 236.319 0.549 20 0 BCADLP C[NH2+][C@H]1CC[N@H+](CCCCC(=O)OC)C1 ZINC000600705571 344360318 /nfs/dbraw/zinc/36/03/18/344360318.db2.gz RZNULUYWDHJTEX-JTQLQIEISA-N 2 2 214.309 0.623 20 0 BCADLP C[NH2+][C@H]1CC[N@@H+](CCCCC(=O)OC)C1 ZINC000600705571 344360320 /nfs/dbraw/zinc/36/03/20/344360320.db2.gz RZNULUYWDHJTEX-JTQLQIEISA-N 2 2 214.309 0.623 20 0 BCADLP [NH3+][C@@H]1CCCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000634807346 344392295 /nfs/dbraw/zinc/39/22/95/344392295.db2.gz IGXRXFQGTIUQEN-SNVBAGLBSA-N 2 2 244.302 0.590 20 0 BCADLP [NH3+][C@H]1CCCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000634807702 344392775 /nfs/dbraw/zinc/39/27/75/344392775.db2.gz XVSXHMUQANDPES-QMMMGPOBSA-N 2 2 235.291 0.208 20 0 BCADLP Cn1nccc1CC[N@@H+](C)C1(C[NH3+])CCC1 ZINC000385324771 344394325 /nfs/dbraw/zinc/39/43/25/344394325.db2.gz JHCOTPUVQGMSRH-UHFFFAOYSA-N 2 2 222.336 0.776 20 0 BCADLP C[C@H]([NH3+])[C@H](C)Nc1cc(-n2cc[nH+]c2)ncn1 ZINC000634810024 344394987 /nfs/dbraw/zinc/39/49/87/344394987.db2.gz JHDLCTWCHUNDSS-IUCAKERBSA-N 2 2 232.291 0.810 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)Nc1nc[nH+]c2c1OCCN2 ZINC000634810076 344394994 /nfs/dbraw/zinc/39/49/94/344394994.db2.gz LMIUJKCIVSKWEO-RNFRBKRXSA-N 2 2 223.280 0.429 20 0 BCADLP COc1c(C)[nH+]cnc1N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000634812162 344396599 /nfs/dbraw/zinc/39/65/99/344396599.db2.gz BIMCETKXEKDLTI-RKDXNWHRSA-N 2 2 240.282 0.669 20 0 BCADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)NC)CC1 ZINC000042220895 344447109 /nfs/dbraw/zinc/44/71/09/344447109.db2.gz GOGCOOQOGWBOSM-VIFPVBQESA-N 2 2 213.325 0.195 20 0 BCADLP C[C@@H](Cn1cccn1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043326967 344488592 /nfs/dbraw/zinc/48/85/92/344488592.db2.gz RIEYPQRWNYHUOH-WDEREUQCSA-N 2 2 208.309 0.613 20 0 BCADLP CCN(CC)C(=O)C[NH+]1CCC([NH2+]C)CC1 ZINC000037469338 344508387 /nfs/dbraw/zinc/50/83/87/344508387.db2.gz QVXPKDRSYQFCQK-UHFFFAOYSA-N 2 2 227.352 0.539 20 0 BCADLP C[C@@H](Nc1cc[nH+]cc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000641449061 362424622 /nfs/dbraw/zinc/42/46/22/362424622.db2.gz IUGHVMFEPXPQJG-SKDRFNHKSA-N 2 2 239.294 0.774 20 0 BCADLP C[C@@H](Nc1cc[nH+]cc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000641449061 362424625 /nfs/dbraw/zinc/42/46/25/362424625.db2.gz IUGHVMFEPXPQJG-SKDRFNHKSA-N 2 2 239.294 0.774 20 0 BCADLP OCC[NH2+]C1CCN(c2cc[nH+]cc2F)CC1 ZINC000641463852 362434067 /nfs/dbraw/zinc/43/40/67/362434067.db2.gz ATQGRVXJAYETIX-UHFFFAOYSA-N 2 2 239.294 0.771 20 0 BCADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1nccn1C ZINC000049557633 344653402 /nfs/dbraw/zinc/65/34/02/344653402.db2.gz WUMQIHZLDIRLPG-JTQLQIEISA-N 2 2 210.325 0.850 20 0 BCADLP C[C@@H](CC[NH+](C)C)NCc1[nH+]ccn1C ZINC000049557633 344653404 /nfs/dbraw/zinc/65/34/04/344653404.db2.gz WUMQIHZLDIRLPG-JTQLQIEISA-N 2 2 210.325 0.850 20 0 BCADLP CCSCC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000158585677 344685044 /nfs/dbraw/zinc/68/50/44/344685044.db2.gz OVCZJELFFPWCRJ-ZJUUUORDSA-N 2 2 218.366 0.788 20 0 BCADLP CCSCC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000158585677 344685046 /nfs/dbraw/zinc/68/50/46/344685046.db2.gz OVCZJELFFPWCRJ-ZJUUUORDSA-N 2 2 218.366 0.788 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039685 344690294 /nfs/dbraw/zinc/69/02/94/344690294.db2.gz LFCTXMYNZZOHCO-JGZJWPJOSA-N 2 2 236.319 0.158 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039685 344690296 /nfs/dbraw/zinc/69/02/96/344690296.db2.gz LFCTXMYNZZOHCO-JGZJWPJOSA-N 2 2 236.319 0.158 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1C[C@@H](O)C1 ZINC000626045788 344695490 /nfs/dbraw/zinc/69/54/90/344695490.db2.gz BADQJNQMBHRMEL-TXEJJXNPSA-N 2 2 223.320 0.976 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1C[C@@H](O)C1 ZINC000626045788 344695492 /nfs/dbraw/zinc/69/54/92/344695492.db2.gz BADQJNQMBHRMEL-TXEJJXNPSA-N 2 2 223.320 0.976 20 0 BCADLP Cc1c[nH]c(CN2CC[N@@H+]3CCC[C@H]3C2)[nH+]1 ZINC000628167467 344878175 /nfs/dbraw/zinc/87/81/75/344878175.db2.gz OZAQHOMWDIOFPZ-NSHDSACASA-N 2 2 220.320 0.998 20 0 BCADLP Cc1c[nH]c(CN2CC[N@H+]3CCC[C@H]3C2)[nH+]1 ZINC000628167467 344878178 /nfs/dbraw/zinc/87/81/78/344878178.db2.gz OZAQHOMWDIOFPZ-NSHDSACASA-N 2 2 220.320 0.998 20 0 BCADLP Cc1c[nH]c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)[nH+]1 ZINC000628191624 344946034 /nfs/dbraw/zinc/94/60/34/344946034.db2.gz QPPJAMGBZOHSIN-UWVGGRQHSA-N 2 2 206.293 0.369 20 0 BCADLP O[C@@H]1C[C@H]2CN(c3cc[nH+]cc3F)CC[N@@H+]2C1 ZINC000641655477 362577141 /nfs/dbraw/zinc/57/71/41/362577141.db2.gz MPGMKYDOEWPVEI-VHSXEESVSA-N 2 2 237.278 0.476 20 0 BCADLP O[C@@H]1C[C@H]2CN(c3cc[nH+]cc3F)CC[N@H+]2C1 ZINC000641655477 362577147 /nfs/dbraw/zinc/57/71/47/362577147.db2.gz MPGMKYDOEWPVEI-VHSXEESVSA-N 2 2 237.278 0.476 20 0 BCADLP CC[NH+]1CCC([NH2+]CC(=O)NCC(F)F)CC1 ZINC000360920667 345113380 /nfs/dbraw/zinc/11/33/80/345113380.db2.gz AJBJIAYDUVWNOR-UHFFFAOYSA-N 2 2 249.305 0.442 20 0 BCADLP C[NH+](C)C1(C[NH2+][C@@H]2CCNC(=O)CC2)CC1 ZINC000634984032 345167987 /nfs/dbraw/zinc/16/79/87/345167987.db2.gz FLHFFUYHWMBBMB-JTQLQIEISA-N 2 2 225.336 0.339 20 0 BCADLP COC[C@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634992693 345180615 /nfs/dbraw/zinc/18/06/15/345180615.db2.gz XVGRPFDLMYQGMB-UNXYVOJBSA-N 2 2 210.321 0.707 20 0 BCADLP COC[C@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634992693 345180616 /nfs/dbraw/zinc/18/06/16/345180616.db2.gz XVGRPFDLMYQGMB-UNXYVOJBSA-N 2 2 210.321 0.707 20 0 BCADLP NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634994796 345182547 /nfs/dbraw/zinc/18/25/47/345182547.db2.gz MVKFXSBPQBODMB-UVPGHTEXSA-N 2 2 249.358 0.324 20 0 BCADLP NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634994796 345182549 /nfs/dbraw/zinc/18/25/49/345182549.db2.gz MVKFXSBPQBODMB-UVPGHTEXSA-N 2 2 249.358 0.324 20 0 BCADLP CC(C)[C@@H](C[NH3+])C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000634994892 345182636 /nfs/dbraw/zinc/18/26/36/345182636.db2.gz PIHMCJOCKNYZBS-RYUDHWBXSA-N 3 2 213.369 0.949 20 0 BCADLP C(C[NH2+]CC12CC(C1)C[NH2+]2)C[NH2+]C1CC1 ZINC000634995641 345185053 /nfs/dbraw/zinc/18/50/53/345185053.db2.gz LEODXPYKYFRRIJ-UHFFFAOYSA-N 3 2 209.337 0.470 20 0 BCADLP COC[C@@]1(C[NH2+]C[C@@H](C[NH3+])C(C)C)CCC[NH2+]1 ZINC000634995721 345185341 /nfs/dbraw/zinc/18/53/41/345185341.db2.gz NBTPBFNRNCDZEN-OLZOCXBDSA-N 3 2 243.395 0.576 20 0 BCADLP CC(C)[C@@H](C[NH3+])C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000634995811 345185946 /nfs/dbraw/zinc/18/59/46/345185946.db2.gz PMJIWEGSRWFBBV-DCAQKATOSA-N 3 2 217.332 0.507 20 0 BCADLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634995813 345186195 /nfs/dbraw/zinc/18/61/95/345186195.db2.gz PNJDBKHBOFUSHK-QTAHKJALSA-N 3 2 209.337 0.326 20 0 BCADLP CC(C)[C@H](C[NH3+])C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000634995812 345186230 /nfs/dbraw/zinc/18/62/30/345186230.db2.gz PMJIWEGSRWFBBV-VWYCJHECSA-N 3 2 217.332 0.507 20 0 BCADLP CC(C)[C@@H](C[NH3+])C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000634996190 345187366 /nfs/dbraw/zinc/18/73/66/345187366.db2.gz CDVXRNONTAVGPL-GRYCIOLGSA-N 3 2 213.369 0.947 20 0 BCADLP C[NH+](C)C1(C[NH2+][C@@H]2CCNC(=O)CC2)CCC1 ZINC000634977533 345153816 /nfs/dbraw/zinc/15/38/16/345153816.db2.gz CRCWIQIBMLLXJQ-NSHDSACASA-N 2 2 239.363 0.729 20 0 BCADLP C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635056488 345230335 /nfs/dbraw/zinc/23/03/35/345230335.db2.gz BWCMYESKSQPMPY-NXEZZACHSA-N 2 2 234.303 0.287 20 0 BCADLP c1cn([C@@H]2CCC[N@@H+](CC34CC(C3)C[NH2+]4)C2)nn1 ZINC000634996721 345191773 /nfs/dbraw/zinc/19/17/73/345191773.db2.gz RWRHLOVDWRWJFM-OTTFEQOBSA-N 2 2 247.346 0.667 20 0 BCADLP c1cn([C@@H]2CCC[N@H+](CC34CC(C3)C[NH2+]4)C2)nn1 ZINC000634996721 345191774 /nfs/dbraw/zinc/19/17/74/345191774.db2.gz RWRHLOVDWRWJFM-OTTFEQOBSA-N 2 2 247.346 0.667 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@@H](C[NH3+])C(C)C ZINC000634997830 345196517 /nfs/dbraw/zinc/19/65/17/345196517.db2.gz UJPOJGPSIZYVBT-GRYCIOLGSA-N 3 2 213.369 0.947 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NCC1CCC1 ZINC000566569124 345219448 /nfs/dbraw/zinc/21/94/48/345219448.db2.gz ISEQXQDNILLSNJ-JQWIXIFHSA-N 2 2 239.363 0.714 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NCC1CCC1 ZINC000566569124 345219452 /nfs/dbraw/zinc/21/94/52/345219452.db2.gz ISEQXQDNILLSNJ-JQWIXIFHSA-N 2 2 239.363 0.714 20 0 BCADLP C[C@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)[NH+](C)C ZINC000635327554 345309356 /nfs/dbraw/zinc/30/93/56/345309356.db2.gz ZRRXPHWCYNGTBC-VHSXEESVSA-N 2 2 224.308 0.338 20 0 BCADLP CC[C@@]1(C(=O)NCCc2[nH]cc[nH+]2)CCC[NH2+]1 ZINC000158285375 345313833 /nfs/dbraw/zinc/31/38/33/345313833.db2.gz PAVVPJLBSNUVMO-LBPRGKRZSA-N 2 2 236.319 0.601 20 0 BCADLP O=C(C[NH2+]CC1CC1)NCCc1[nH]cc[nH+]1 ZINC000158546964 345343808 /nfs/dbraw/zinc/34/38/08/345343808.db2.gz FDTCGKUKDMYBAD-UHFFFAOYSA-N 2 2 222.292 0.068 20 0 BCADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NC1CC1 ZINC000080960577 345455592 /nfs/dbraw/zinc/45/55/92/345455592.db2.gz RNQNJGYXKBMIAC-JTQLQIEISA-N 2 2 248.330 0.868 20 0 BCADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NC1CC1 ZINC000080960577 345455594 /nfs/dbraw/zinc/45/55/94/345455594.db2.gz RNQNJGYXKBMIAC-JTQLQIEISA-N 2 2 248.330 0.868 20 0 BCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C1CCC1 ZINC000093176652 345659179 /nfs/dbraw/zinc/65/91/79/345659179.db2.gz UGRDGULQTIAFTH-UHFFFAOYSA-N 2 2 225.336 0.245 20 0 BCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1CCC1 ZINC000093176652 345659183 /nfs/dbraw/zinc/65/91/83/345659183.db2.gz UGRDGULQTIAFTH-UHFFFAOYSA-N 2 2 225.336 0.245 20 0 BCADLP CC(C)[N@@H+](CCCn1cc[nH+]c1)CC(N)=O ZINC000182619459 187309266 /nfs/dbraw/zinc/30/92/66/187309266.db2.gz HRJLSWQDVXGQNW-UHFFFAOYSA-N 2 2 224.308 0.469 20 0 BCADLP [NH3+]CC[NH+]1CCC(Oc2ccccn2)CC1 ZINC000115814475 345676828 /nfs/dbraw/zinc/67/68/28/345676828.db2.gz PLDCXTQDCGVZAW-UHFFFAOYSA-N 2 2 221.304 0.884 20 0 BCADLP CCC[C@H](C)CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000162452697 345717703 /nfs/dbraw/zinc/71/77/03/345717703.db2.gz PEKZCIMLRYNKOY-RYUDHWBXSA-N 2 2 241.379 0.914 20 0 BCADLP CCC[C@H](C)CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000162452697 345717708 /nfs/dbraw/zinc/71/77/08/345717708.db2.gz PEKZCIMLRYNKOY-RYUDHWBXSA-N 2 2 241.379 0.914 20 0 BCADLP CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000204329189 345732057 /nfs/dbraw/zinc/73/20/57/345732057.db2.gz SFVGADXTCNCSFW-LLVKDONJSA-N 2 2 225.336 0.291 20 0 BCADLP CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000204329189 345732059 /nfs/dbraw/zinc/73/20/59/345732059.db2.gz SFVGADXTCNCSFW-LLVKDONJSA-N 2 2 225.336 0.291 20 0 BCADLP C[N@@H+]1CC[C@H](CC(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000635565055 345787335 /nfs/dbraw/zinc/78/73/35/345787335.db2.gz KTTKNTJXYYBDSC-LLVKDONJSA-N 2 2 248.330 0.608 20 0 BCADLP C[N@H+]1CC[C@H](CC(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000635565055 345787338 /nfs/dbraw/zinc/78/73/38/345787338.db2.gz KTTKNTJXYYBDSC-LLVKDONJSA-N 2 2 248.330 0.608 20 0 BCADLP CC[C@@H](C(=O)NCCc1cn(C)c[nH+]1)[NH+](C)C ZINC000622685950 345801838 /nfs/dbraw/zinc/80/18/38/345801838.db2.gz RHSMKJMRMQLWCV-NSHDSACASA-N 2 2 238.335 0.419 20 0 BCADLP C[C@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1)[NH+](C)C ZINC000635593078 345885073 /nfs/dbraw/zinc/88/50/73/345885073.db2.gz SXANJEDMTURINE-WDEREUQCSA-N 2 2 238.335 0.586 20 0 BCADLP CC(C)[C@H](CO)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336760144 187312096 /nfs/dbraw/zinc/31/20/96/187312096.db2.gz LZEXGYYHTHPBJC-WOPDTQHZSA-N 2 2 214.353 0.791 20 0 BCADLP CC(C)[C@H](CO)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336760144 187312098 /nfs/dbraw/zinc/31/20/98/187312098.db2.gz LZEXGYYHTHPBJC-WOPDTQHZSA-N 2 2 214.353 0.791 20 0 BCADLP Cn1c[nH+]cc1CN1CCC[N@H+](C)CC1 ZINC000146154963 345957715 /nfs/dbraw/zinc/95/77/15/345957715.db2.gz XMAMWCWIMHRQOR-UHFFFAOYSA-N 2 2 208.309 0.558 20 0 BCADLP Cn1c[nH+]cc1CN1CCC[N@@H+](C)CC1 ZINC000146154963 345957716 /nfs/dbraw/zinc/95/77/16/345957716.db2.gz XMAMWCWIMHRQOR-UHFFFAOYSA-N 2 2 208.309 0.558 20 0 BCADLP C(C[NH+]1CCOCC1)N1CCC2(CC[NH2+]2)CC1 ZINC000563210662 323101983 /nfs/dbraw/zinc/10/19/83/323101983.db2.gz GYIZSKJMUDMSIN-UHFFFAOYSA-N 2 2 239.363 0.147 20 0 BCADLP C(C[NH+]1CCC2(CC[NH2+]2)CC1)N1CCOCC1 ZINC000563210662 323101984 /nfs/dbraw/zinc/10/19/84/323101984.db2.gz GYIZSKJMUDMSIN-UHFFFAOYSA-N 2 2 239.363 0.147 20 0 BCADLP C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)c1[nH+]ccn1C ZINC000662935783 537935579 /nfs/dbraw/zinc/93/55/79/537935579.db2.gz ZSRYJSTZBRBWQV-DTWKUNHWSA-N 2 2 238.335 0.971 20 0 BCADLP O=C(NCC[NH+]1CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635725516 346036281 /nfs/dbraw/zinc/03/62/81/346036281.db2.gz USKBNLIEJGABMK-NXEZZACHSA-N 2 2 234.303 0.335 20 0 BCADLP O=C(NCC[NH+]1CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635725516 346036284 /nfs/dbraw/zinc/03/62/84/346036284.db2.gz USKBNLIEJGABMK-NXEZZACHSA-N 2 2 234.303 0.335 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)[C@@H](C)[NH+](C)C)C1 ZINC000635820887 346076116 /nfs/dbraw/zinc/07/61/16/346076116.db2.gz HMRIKXQIYCKRPG-SECBINFHSA-N 2 2 213.325 0.145 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000635822692 346078026 /nfs/dbraw/zinc/07/80/26/346078026.db2.gz VDEVQCDLUGRTIQ-LBPRGKRZSA-N 2 2 239.363 0.680 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000635822692 346078027 /nfs/dbraw/zinc/07/80/27/346078027.db2.gz VDEVQCDLUGRTIQ-LBPRGKRZSA-N 2 2 239.363 0.680 20 0 BCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000635985454 346138810 /nfs/dbraw/zinc/13/88/10/346138810.db2.gz IOMBCQPAPDZFPR-QWRGUYRKSA-N 2 2 248.330 0.266 20 0 BCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000635985454 346138813 /nfs/dbraw/zinc/13/88/13/346138813.db2.gz IOMBCQPAPDZFPR-QWRGUYRKSA-N 2 2 248.330 0.266 20 0 BCADLP C[C@@H](C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)[NH+](C)C ZINC000635994595 346144119 /nfs/dbraw/zinc/14/41/19/346144119.db2.gz HIHLHBHLFKOOKV-GUBZILKMSA-N 2 2 236.319 0.955 20 0 BCADLP C[C@H](C(=O)N1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000635944133 346118127 /nfs/dbraw/zinc/11/81/27/346118127.db2.gz SRGBFFDDQUTHBN-MRVPVSSYSA-N 2 2 222.292 0.245 20 0 BCADLP C[C@H](C(=O)N1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000635944133 346118128 /nfs/dbraw/zinc/11/81/28/346118128.db2.gz SRGBFFDDQUTHBN-MRVPVSSYSA-N 2 2 222.292 0.245 20 0 BCADLP [NH3+]CC[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000563269867 323107245 /nfs/dbraw/zinc/10/72/45/323107245.db2.gz ZTCGZGPAAJGZFJ-DTWKUNHWSA-N 2 2 202.323 0.151 20 0 BCADLP [NH3+]CC[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000563269867 323107246 /nfs/dbraw/zinc/10/72/46/323107246.db2.gz ZTCGZGPAAJGZFJ-DTWKUNHWSA-N 2 2 202.323 0.151 20 0 BCADLP C[C@H](C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)[NH+](C)C ZINC000635994593 346144289 /nfs/dbraw/zinc/14/42/89/346144289.db2.gz HIHLHBHLFKOOKV-BBBLOLIVSA-N 2 2 236.319 0.955 20 0 BCADLP C[C@@H](C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)[NH+](C)C ZINC000635994604 346144314 /nfs/dbraw/zinc/14/43/14/346144314.db2.gz HIHLHBHLFKOOKV-UTLUCORTSA-N 2 2 236.319 0.955 20 0 BCADLP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)S(C)(=O)=O ZINC000381517188 346231539 /nfs/dbraw/zinc/23/15/39/346231539.db2.gz SPTMOPVFQMDLAW-VWYCJHECSA-N 2 2 248.392 0.349 20 0 BCADLP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)S(C)(=O)=O ZINC000381517188 346231541 /nfs/dbraw/zinc/23/15/41/346231541.db2.gz SPTMOPVFQMDLAW-VWYCJHECSA-N 2 2 248.392 0.349 20 0 BCADLP Nc1ncc(C[NH2+]CCn2cc[nH+]c2)s1 ZINC000309084554 349947228 /nfs/dbraw/zinc/94/72/28/349947228.db2.gz VNZYCMSBZRTRFK-UHFFFAOYSA-N 2 2 223.305 0.712 20 0 BCADLP CCc1[nH+]ccn1CC(=O)N1CC[NH+](C)CC1 ZINC000111550915 187318508 /nfs/dbraw/zinc/31/85/08/187318508.db2.gz HBCFEJPXFFWFBI-UHFFFAOYSA-N 2 2 236.319 0.220 20 0 BCADLP COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000603427659 349949988 /nfs/dbraw/zinc/94/99/88/349949988.db2.gz CPRXDOFFXRMLDN-QWRGUYRKSA-N 2 2 244.310 0.571 20 0 BCADLP COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CC1CC[NH2+]CC1 ZINC000603427659 349949992 /nfs/dbraw/zinc/94/99/92/349949992.db2.gz CPRXDOFFXRMLDN-QWRGUYRKSA-N 2 2 244.310 0.571 20 0 BCADLP CCOCC[C@H](O)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000571073813 537972721 /nfs/dbraw/zinc/97/27/21/537972721.db2.gz DDYWKSIUJSHQGF-NEPJUHHUSA-N 2 2 241.335 0.649 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000381588687 346391780 /nfs/dbraw/zinc/39/17/80/346391780.db2.gz CNSKATDZGTYKRE-VWYCJHECSA-N 2 2 225.336 0.147 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000381588687 346391782 /nfs/dbraw/zinc/39/17/82/346391782.db2.gz CNSKATDZGTYKRE-VWYCJHECSA-N 2 2 225.336 0.147 20 0 BCADLP COC[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000641790293 362725038 /nfs/dbraw/zinc/72/50/38/362725038.db2.gz ONEYMOKVYDIBDK-VIFPVBQESA-N 2 2 209.293 0.954 20 0 BCADLP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)on1 ZINC000641797224 362742794 /nfs/dbraw/zinc/74/27/94/362742794.db2.gz YKDNJBYVACYXGS-MRVPVSSYSA-N 2 2 211.265 0.464 20 0 BCADLP COc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)on1 ZINC000641797224 362742800 /nfs/dbraw/zinc/74/28/00/362742800.db2.gz YKDNJBYVACYXGS-MRVPVSSYSA-N 2 2 211.265 0.464 20 0 BCADLP C[N@H+](CCC[NH+]1CCCC1)CC(=O)NC1CC1 ZINC000170804258 346452699 /nfs/dbraw/zinc/45/26/99/346452699.db2.gz RLRGYSGHKKLBIM-UHFFFAOYSA-N 2 2 239.363 0.683 20 0 BCADLP C[N@@H+](CCC[NH+]1CCCC1)CC(=O)NC1CC1 ZINC000170804258 346452702 /nfs/dbraw/zinc/45/27/02/346452702.db2.gz RLRGYSGHKKLBIM-UHFFFAOYSA-N 2 2 239.363 0.683 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000641799182 362746334 /nfs/dbraw/zinc/74/63/34/362746334.db2.gz OAXHDVGBNBXDDX-BETUJISGSA-N 2 2 248.374 0.894 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000641799182 362746338 /nfs/dbraw/zinc/74/63/38/362746338.db2.gz OAXHDVGBNBXDDX-BETUJISGSA-N 3 2 248.374 0.894 20 0 BCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000641798781 362746935 /nfs/dbraw/zinc/74/69/35/362746935.db2.gz IFAFKIXQWMYOOP-MDZLAQPJSA-N 3 2 236.363 0.939 20 0 BCADLP COc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)on1 ZINC000641798242 362749717 /nfs/dbraw/zinc/74/97/17/362749717.db2.gz NFABBSRXVUVOCH-DTWKUNHWSA-N 2 2 225.292 0.852 20 0 BCADLP COc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)on1 ZINC000641798242 362749720 /nfs/dbraw/zinc/74/97/20/362749720.db2.gz NFABBSRXVUVOCH-DTWKUNHWSA-N 2 2 225.292 0.852 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000641799499 362748065 /nfs/dbraw/zinc/74/80/65/362748065.db2.gz QBWQOFOYNNVLOU-AAEUAGOBSA-N 3 2 234.347 0.646 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000641799499 362748070 /nfs/dbraw/zinc/74/80/70/362748070.db2.gz QBWQOFOYNNVLOU-AAEUAGOBSA-N 3 2 234.347 0.646 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000641799500 362749208 /nfs/dbraw/zinc/74/92/08/362749208.db2.gz QBWQOFOYNNVLOU-DGCLKSJQSA-N 3 2 234.347 0.646 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000641799500 362749213 /nfs/dbraw/zinc/74/92/13/362749213.db2.gz QBWQOFOYNNVLOU-DGCLKSJQSA-N 3 2 234.347 0.646 20 0 BCADLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)on1 ZINC000641796952 362740206 /nfs/dbraw/zinc/74/02/06/362740206.db2.gz NKBKTWRHXWJEML-WCBMZHEXSA-N 2 2 225.292 0.852 20 0 BCADLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)on1 ZINC000641796952 362740209 /nfs/dbraw/zinc/74/02/09/362740209.db2.gz NKBKTWRHXWJEML-WCBMZHEXSA-N 2 2 225.292 0.852 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)C1CC[NH2+]CC1 ZINC000641797103 362741557 /nfs/dbraw/zinc/74/15/57/362741557.db2.gz UKTZHWJOANVWKM-UHFFFAOYSA-N 3 2 222.336 0.646 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)C1CC[NH2+]CC1 ZINC000641797103 362741561 /nfs/dbraw/zinc/74/15/61/362741561.db2.gz UKTZHWJOANVWKM-UHFFFAOYSA-N 3 2 222.336 0.646 20 0 BCADLP CC[N@H+](Cc1ccccn1)C[C@@](C)(O)C[NH2+]C ZINC000580083698 346515946 /nfs/dbraw/zinc/51/59/46/346515946.db2.gz DMCZJUOCYNOUAQ-ZDUSSCGKSA-N 2 2 237.347 0.874 20 0 BCADLP CC[N@@H+](Cc1ccccn1)C[C@@](C)(O)C[NH2+]C ZINC000580083698 346515948 /nfs/dbraw/zinc/51/59/48/346515948.db2.gz DMCZJUOCYNOUAQ-ZDUSSCGKSA-N 2 2 237.347 0.874 20 0 BCADLP Cc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)nn1C ZINC000641801099 362754911 /nfs/dbraw/zinc/75/49/11/362754911.db2.gz NBRSUZVYAKNSLO-WDEREUQCSA-N 2 2 222.336 0.944 20 0 BCADLP COc1cncc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)n1 ZINC000641801468 362755179 /nfs/dbraw/zinc/75/51/79/362755179.db2.gz QYXSUCRAVDKHRQ-ZJUUUORDSA-N 2 2 236.319 0.701 20 0 BCADLP Cc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)nn1C ZINC000641801097 362755255 /nfs/dbraw/zinc/75/52/55/362755255.db2.gz NBRSUZVYAKNSLO-MNOVXSKESA-N 2 2 222.336 0.944 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000641808382 362763599 /nfs/dbraw/zinc/76/35/99/362763599.db2.gz URILMTXDNICXBC-UTUOFQBUSA-N 2 2 247.342 0.928 20 0 BCADLP Cn1nc(C2CC2)nc1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641801780 362756981 /nfs/dbraw/zinc/75/69/81/362756981.db2.gz VKUJUFPMLGKJJI-VHSXEESVSA-N 2 2 249.362 0.908 20 0 BCADLP [NH3+]C1(C(=O)NCCNc2cccc[nH+]2)CCC1 ZINC000580711340 346549579 /nfs/dbraw/zinc/54/95/79/346549579.db2.gz CBUBGHFGNKBUKV-UHFFFAOYSA-N 2 2 234.303 0.491 20 0 BCADLP C[C@H](CC(=O)NCc1c[nH+]cn1C)n1cc[nH+]c1 ZINC000580648132 365843407 /nfs/dbraw/zinc/84/34/07/365843407.db2.gz BXGHFXRZLJTLHA-SNVBAGLBSA-N 2 2 247.302 0.884 20 0 BCADLP C[C@H](NC(=O)Cn1cc[nH+]c1)C1=CC[N@H+](C)CC1 ZINC000580244222 346795426 /nfs/dbraw/zinc/79/54/26/346795426.db2.gz CVTOOCKGIMNKOO-NSHDSACASA-N 2 2 248.330 0.650 20 0 BCADLP C[C@H](NC(=O)Cn1cc[nH+]c1)C1=CC[N@@H+](C)CC1 ZINC000580244222 346795427 /nfs/dbraw/zinc/79/54/27/346795427.db2.gz CVTOOCKGIMNKOO-NSHDSACASA-N 2 2 248.330 0.650 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000380226728 346797759 /nfs/dbraw/zinc/79/77/59/346797759.db2.gz OPZJVMMVAHUCFJ-VIFPVBQESA-N 2 2 222.292 0.476 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000641824584 362774409 /nfs/dbraw/zinc/77/44/09/362774409.db2.gz UQJVPPSMWFPUAM-AAEUAGOBSA-N 3 2 234.347 0.776 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000641824584 362774413 /nfs/dbraw/zinc/77/44/13/362774413.db2.gz UQJVPPSMWFPUAM-AAEUAGOBSA-N 3 2 234.347 0.776 20 0 BCADLP [NH3+]CCOCC[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000580329366 347175897 /nfs/dbraw/zinc/17/58/97/347175897.db2.gz VLYFXNFIUXHJBK-UHFFFAOYSA-N 3 2 227.352 0.165 20 0 BCADLP [NH3+]CCOCC[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000580329366 347175901 /nfs/dbraw/zinc/17/59/01/347175901.db2.gz VLYFXNFIUXHJBK-UHFFFAOYSA-N 3 2 227.352 0.165 20 0 BCADLP COC(=O)CC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601328715 347217037 /nfs/dbraw/zinc/21/70/37/347217037.db2.gz WVTYNJDJEIWXRX-KOLCDFICSA-N 2 2 212.293 0.281 20 0 BCADLP CC(C)OC(=O)CC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000601330645 347220609 /nfs/dbraw/zinc/22/06/09/347220609.db2.gz WBUASICMFLNRLQ-VHSXEESVSA-N 2 2 214.309 0.750 20 0 BCADLP CC(C)OC(=O)CC[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000601330645 347220611 /nfs/dbraw/zinc/22/06/11/347220611.db2.gz WBUASICMFLNRLQ-VHSXEESVSA-N 2 2 214.309 0.750 20 0 BCADLP CCOC(=O)CC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000601330802 347221451 /nfs/dbraw/zinc/22/14/51/347221451.db2.gz XOERIRZTYHOGDK-BDAKNGLRSA-N 2 2 200.282 0.361 20 0 BCADLP CCOC(=O)CC[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000601330802 347221453 /nfs/dbraw/zinc/22/14/53/347221453.db2.gz XOERIRZTYHOGDK-BDAKNGLRSA-N 2 2 200.282 0.361 20 0 BCADLP CCOC(=O)CC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000601330803 347221590 /nfs/dbraw/zinc/22/15/90/347221590.db2.gz XOERIRZTYHOGDK-DTWKUNHWSA-N 2 2 200.282 0.361 20 0 BCADLP CCOC(=O)CC[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000601330803 347221594 /nfs/dbraw/zinc/22/15/94/347221594.db2.gz XOERIRZTYHOGDK-DTWKUNHWSA-N 2 2 200.282 0.361 20 0 BCADLP CCOC(=O)CC[N@H+](C)C[C@H](O)C[NH+](C)CC ZINC000310119287 347234427 /nfs/dbraw/zinc/23/44/27/347234427.db2.gz ADSZIIHODCJJAN-LLVKDONJSA-N 2 2 246.351 0.184 20 0 BCADLP CCOC(=O)CC[N@@H+](C)C[C@H](O)C[NH+](C)CC ZINC000310119287 347234429 /nfs/dbraw/zinc/23/44/29/347234429.db2.gz ADSZIIHODCJJAN-LLVKDONJSA-N 2 2 246.351 0.184 20 0 BCADLP CCOC(=O)CC[NH+](C)C[C@H](O)C[N@H+](C)CC ZINC000310119287 347234431 /nfs/dbraw/zinc/23/44/31/347234431.db2.gz ADSZIIHODCJJAN-LLVKDONJSA-N 2 2 246.351 0.184 20 0 BCADLP CCOC(=O)CC[NH+](C)C[C@H](O)C[N@@H+](C)CC ZINC000310119287 347234432 /nfs/dbraw/zinc/23/44/32/347234432.db2.gz ADSZIIHODCJJAN-LLVKDONJSA-N 2 2 246.351 0.184 20 0 BCADLP CC[NH+]1CCC([NH2+][C@@H](C)CS(C)(=O)=O)CC1 ZINC000081900770 347255881 /nfs/dbraw/zinc/25/58/81/347255881.db2.gz KDEHWDHDOAHCFK-JTQLQIEISA-N 2 2 248.392 0.493 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)CC(F)(F)C[NH3+] ZINC000571341488 323141962 /nfs/dbraw/zinc/14/19/62/323141962.db2.gz OOWRBTSHECFJMW-UHFFFAOYSA-N 2 2 232.234 0.020 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000082304300 347346089 /nfs/dbraw/zinc/34/60/89/347346089.db2.gz PGVLPVJYMWEKQD-NSHDSACASA-N 2 2 225.336 0.245 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000082304300 347346095 /nfs/dbraw/zinc/34/60/95/347346095.db2.gz PGVLPVJYMWEKQD-NSHDSACASA-N 2 2 225.336 0.245 20 0 BCADLP Cc1cccc2[nH+]c(CNC(=O)CCC[NH3+])cn21 ZINC000237675164 179230468 /nfs/dbraw/zinc/23/04/68/179230468.db2.gz IDESPBLSQRNIOM-UHFFFAOYSA-N 2 2 246.314 0.998 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000616927408 347460688 /nfs/dbraw/zinc/46/06/88/347460688.db2.gz IJBNOCQFBXLNHM-GFCCVEGCSA-N 2 2 248.330 0.995 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000616927408 347460690 /nfs/dbraw/zinc/46/06/90/347460690.db2.gz IJBNOCQFBXLNHM-GFCCVEGCSA-N 2 2 248.330 0.995 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000616927408 347460693 /nfs/dbraw/zinc/46/06/93/347460693.db2.gz IJBNOCQFBXLNHM-GFCCVEGCSA-N 2 2 248.330 0.995 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000616927408 347460694 /nfs/dbraw/zinc/46/06/94/347460694.db2.gz IJBNOCQFBXLNHM-GFCCVEGCSA-N 2 2 248.330 0.995 20 0 BCADLP C[N@@H+]1CCO[C@@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000082431891 347592287 /nfs/dbraw/zinc/59/22/87/347592287.db2.gz DBVGWLOFGBIVNE-VIFPVBQESA-N 2 2 228.340 0.229 20 0 BCADLP C[N@H+]1CCO[C@@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000082431891 347592290 /nfs/dbraw/zinc/59/22/90/347592290.db2.gz DBVGWLOFGBIVNE-VIFPVBQESA-N 2 2 228.340 0.229 20 0 BCADLP CC[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000082476691 347618731 /nfs/dbraw/zinc/61/87/31/347618731.db2.gz CVCOAUCGMKKHQL-GHMZBOCLSA-N 2 2 225.336 0.196 20 0 BCADLP CC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000082476691 347618733 /nfs/dbraw/zinc/61/87/33/347618733.db2.gz CVCOAUCGMKKHQL-GHMZBOCLSA-N 2 2 225.336 0.196 20 0 BCADLP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591281650 347637377 /nfs/dbraw/zinc/63/73/77/347637377.db2.gz IDZZADVXLKRHDU-UWVGGRQHSA-N 2 2 246.326 0.865 20 0 BCADLP COC(=O)CCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591447875 347663491 /nfs/dbraw/zinc/66/34/91/347663491.db2.gz BNPKFEIAZYBQMD-WDEREUQCSA-N 2 2 226.320 0.623 20 0 BCADLP COC(=O)CCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591447875 347663492 /nfs/dbraw/zinc/66/34/92/347663492.db2.gz BNPKFEIAZYBQMD-WDEREUQCSA-N 2 2 226.320 0.623 20 0 BCADLP CC[C@H]1C[N@H+](C)CCN1Cc1[nH+]ccn1C ZINC000591873805 347705144 /nfs/dbraw/zinc/70/51/44/347705144.db2.gz ZGRXJHSBPNPYGG-NSHDSACASA-N 2 2 222.336 0.946 20 0 BCADLP CC[C@H]1C[N@@H+](C)CCN1Cc1[nH+]ccn1C ZINC000591873805 347705146 /nfs/dbraw/zinc/70/51/46/347705146.db2.gz ZGRXJHSBPNPYGG-NSHDSACASA-N 2 2 222.336 0.946 20 0 BCADLP CNC(=O)CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867291 347707717 /nfs/dbraw/zinc/70/77/17/347707717.db2.gz OEYAISIPXNTOFQ-LLVKDONJSA-N 2 2 236.319 0.656 20 0 BCADLP CNC(=O)CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867291 347707721 /nfs/dbraw/zinc/70/77/21/347707721.db2.gz OEYAISIPXNTOFQ-LLVKDONJSA-N 2 2 236.319 0.656 20 0 BCADLP CCNC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591916152 347708625 /nfs/dbraw/zinc/70/86/25/347708625.db2.gz YNINGAVTFBEBTH-LLVKDONJSA-N 2 2 236.319 0.656 20 0 BCADLP CCNC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591916152 347708628 /nfs/dbraw/zinc/70/86/28/347708628.db2.gz YNINGAVTFBEBTH-LLVKDONJSA-N 2 2 236.319 0.656 20 0 BCADLP COC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000308519870 347774140 /nfs/dbraw/zinc/77/41/40/347774140.db2.gz XGSAMHFZQZMGRJ-PSASIEDQSA-N 2 2 200.282 0.219 20 0 BCADLP COC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000308519870 347774142 /nfs/dbraw/zinc/77/41/42/347774142.db2.gz XGSAMHFZQZMGRJ-PSASIEDQSA-N 2 2 200.282 0.219 20 0 BCADLP COC(=O)[C@H]([NH2+]CCc1c[nH+]cn1C)C1CC1 ZINC000401755445 347758951 /nfs/dbraw/zinc/75/89/51/347758951.db2.gz QTYKUPQRNRAUHP-LLVKDONJSA-N 2 2 237.303 0.504 20 0 BCADLP COC(=O)[C@@H]([NH2+]CCc1c[nH+]cn1C)C1CC1 ZINC000401755446 347759106 /nfs/dbraw/zinc/75/91/06/347759106.db2.gz QTYKUPQRNRAUHP-NSHDSACASA-N 2 2 237.303 0.504 20 0 BCADLP O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2CCCn1cc[nH+]c1 ZINC000593098802 347855672 /nfs/dbraw/zinc/85/56/72/347855672.db2.gz DWKYITYSLNUSKZ-MMPTUQATSA-N 2 2 239.344 0.478 20 0 BCADLP O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2CCCn1cc[nH+]c1 ZINC000593098802 347855675 /nfs/dbraw/zinc/85/56/75/347855675.db2.gz DWKYITYSLNUSKZ-MMPTUQATSA-N 2 2 239.344 0.478 20 0 BCADLP CSC[C@@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593909995 347969129 /nfs/dbraw/zinc/96/91/29/347969129.db2.gz PPEJUTVFNXSICT-RKDXNWHRSA-N 2 2 233.381 0.133 20 0 BCADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCC(=O)N(C)C)C1 ZINC000594738933 348110304 /nfs/dbraw/zinc/11/03/04/348110304.db2.gz PWUXDKYNXMKRBP-LBPRGKRZSA-N 2 2 241.379 0.927 20 0 BCADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCC(=O)N(C)C)C1 ZINC000594738933 348110307 /nfs/dbraw/zinc/11/03/07/348110307.db2.gz PWUXDKYNXMKRBP-LBPRGKRZSA-N 2 2 241.379 0.927 20 0 BCADLP Cc1cccn2cc(CNC(=O)C[NH+](C)C)[nH+]c12 ZINC000126704567 179357544 /nfs/dbraw/zinc/35/75/44/179357544.db2.gz JMNJGYZBLWMFSL-UHFFFAOYSA-N 2 2 246.314 0.821 20 0 BCADLP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000594920025 348153908 /nfs/dbraw/zinc/15/39/08/348153908.db2.gz RGSWHBCWXPWXDA-GARJFASQSA-N 2 2 237.303 0.670 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000594920031 348153925 /nfs/dbraw/zinc/15/39/25/348153925.db2.gz RGSWHBCWXPWXDA-HBNTYKKESA-N 2 2 237.303 0.670 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000594919632 348153933 /nfs/dbraw/zinc/15/39/33/348153933.db2.gz IBEMUHQPKWFHIF-UKKRHICBSA-N 2 2 228.336 0.724 20 0 BCADLP CSC[C@](C)(O)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000594919805 348154561 /nfs/dbraw/zinc/15/45/61/348154561.db2.gz BIKGVVFSWCIBPO-LLVKDONJSA-N 2 2 243.376 0.932 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@H]2CC[C@@H](C)O2)CCO1 ZINC000251740406 362903770 /nfs/dbraw/zinc/90/37/70/362903770.db2.gz JHLAFOLPQOEGKA-KXNHARMFSA-N 2 2 228.336 0.602 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@H]2CC[C@@H](C)O2)CCO1 ZINC000251740406 362903775 /nfs/dbraw/zinc/90/37/75/362903775.db2.gz JHLAFOLPQOEGKA-KXNHARMFSA-N 2 2 228.336 0.602 20 0 BCADLP COC(=O)C[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000595892113 348390841 /nfs/dbraw/zinc/39/08/41/348390841.db2.gz KSNRKQLWVUGBAR-QWRGUYRKSA-N 2 2 242.319 0.002 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000596107083 348440992 /nfs/dbraw/zinc/44/09/92/348440992.db2.gz PWMYGVNYYWDYSY-QMMMGPOBSA-N 2 2 225.292 0.499 20 0 BCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C(C)(C)C ZINC000205603903 348558456 /nfs/dbraw/zinc/55/84/56/348558456.db2.gz ZPSCALLFHUOACO-UHFFFAOYSA-N 2 2 227.352 0.491 20 0 BCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C(C)(C)C ZINC000205603903 348558458 /nfs/dbraw/zinc/55/84/58/348558458.db2.gz ZPSCALLFHUOACO-UHFFFAOYSA-N 2 2 227.352 0.491 20 0 BCADLP COC(=O)[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000597222819 348693221 /nfs/dbraw/zinc/69/32/21/348693221.db2.gz NCAPSIFYNWEUOE-AOOOYVTPSA-N 2 2 249.314 0.871 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCCOC1 ZINC000070014588 490197541 /nfs/dbraw/zinc/19/75/41/490197541.db2.gz INZATGSPPIVVPQ-VXGBXAGGSA-N 2 2 227.352 0.001 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCCOC1 ZINC000070014588 490197548 /nfs/dbraw/zinc/19/75/48/490197548.db2.gz INZATGSPPIVVPQ-VXGBXAGGSA-N 2 2 227.352 0.001 20 0 BCADLP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000599014157 349082051 /nfs/dbraw/zinc/08/20/51/349082051.db2.gz PMRGTNSACZUVBQ-NOOOWODRSA-N 2 2 240.347 0.868 20 0 BCADLP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000599014157 349082054 /nfs/dbraw/zinc/08/20/54/349082054.db2.gz PMRGTNSACZUVBQ-NOOOWODRSA-N 2 2 240.347 0.868 20 0 BCADLP C[C@H]1C[N@H+](Cc2ccn(C)n2)CC[C@H]1[NH3+] ZINC000251625547 349189348 /nfs/dbraw/zinc/18/93/48/349189348.db2.gz FDSRKQXIDPMKRB-GXSJLCMTSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@H]1[NH3+] ZINC000251625547 349189349 /nfs/dbraw/zinc/18/93/49/349189349.db2.gz FDSRKQXIDPMKRB-GXSJLCMTSA-N 2 2 208.309 0.589 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000250400877 349171060 /nfs/dbraw/zinc/17/10/60/349171060.db2.gz SKLUKIFSVJSGGH-JHJVBQTASA-N 3 2 240.395 0.092 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000250400877 349171063 /nfs/dbraw/zinc/17/10/63/349171063.db2.gz SKLUKIFSVJSGGH-JHJVBQTASA-N 3 2 240.395 0.092 20 0 BCADLP Cc1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cn1 ZINC000252906293 349215111 /nfs/dbraw/zinc/21/51/11/349215111.db2.gz UFBZEGCTNSXALI-CYBMUJFWSA-N 2 2 234.347 0.465 20 0 BCADLP Cc1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cn1 ZINC000252906293 349215114 /nfs/dbraw/zinc/21/51/14/349215114.db2.gz UFBZEGCTNSXALI-CYBMUJFWSA-N 2 2 234.347 0.465 20 0 BCADLP C[C@H](c1cnccn1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000251266634 538043904 /nfs/dbraw/zinc/04/39/04/538043904.db2.gz MSUFRKLXEOEHGV-VWYCJHECSA-N 2 2 218.304 0.689 20 0 BCADLP CC(=O)N1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000077120716 191006039 /nfs/dbraw/zinc/00/60/39/191006039.db2.gz LQQNONBNAQDJKB-UHFFFAOYSA-N 2 2 236.319 0.356 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CCN1Cc1[nH+]ccn1C ZINC000070853661 350069446 /nfs/dbraw/zinc/06/94/46/350069446.db2.gz MEKVNQSGQYWHLW-NXEZZACHSA-N 2 2 208.309 0.732 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1nccn1C ZINC000070853661 350069449 /nfs/dbraw/zinc/06/94/49/350069449.db2.gz MEKVNQSGQYWHLW-NXEZZACHSA-N 2 2 208.309 0.732 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1nccn1C ZINC000070853661 350069452 /nfs/dbraw/zinc/06/94/52/350069452.db2.gz MEKVNQSGQYWHLW-NXEZZACHSA-N 2 2 208.309 0.732 20 0 BCADLP CC[C@@H](CO)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000131994549 191019955 /nfs/dbraw/zinc/01/99/55/191019955.db2.gz ZENHJIDROXTYSW-GARJFASQSA-N 2 2 212.337 0.972 20 0 BCADLP CC[C@@H](CO)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000131994549 191019956 /nfs/dbraw/zinc/01/99/56/191019956.db2.gz ZENHJIDROXTYSW-GARJFASQSA-N 2 2 212.337 0.972 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCOCCO)C[N@@H+]1C1CC1 ZINC000132200472 191027203 /nfs/dbraw/zinc/02/72/03/191027203.db2.gz DZWZHIZCXHNKTC-WDEREUQCSA-N 2 2 228.336 0.210 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCOCCO)C[N@H+]1C1CC1 ZINC000132200472 191027206 /nfs/dbraw/zinc/02/72/06/191027206.db2.gz DZWZHIZCXHNKTC-WDEREUQCSA-N 2 2 228.336 0.210 20 0 BCADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)[C@H](C)CO ZINC000668184781 490337116 /nfs/dbraw/zinc/33/71/16/490337116.db2.gz QUAKMEHBGJXPNO-SECBINFHSA-N 2 2 211.309 0.931 20 0 BCADLP Cc1[nH+]c2ccccc2n1CCNC(N)=[NH2+] ZINC000261906053 180104266 /nfs/dbraw/zinc/10/42/66/180104266.db2.gz WZBFTIRRBUTORM-UHFFFAOYSA-N 2 2 217.276 0.828 20 0 BCADLP Cc1[nH]c(C(=O)NCC[N@@H+](C)C(C)C)c[nH+]1 ZINC000339224902 180130025 /nfs/dbraw/zinc/13/00/25/180130025.db2.gz VHMMDYJKCYBBLV-UHFFFAOYSA-N 2 2 224.308 0.788 20 0 BCADLP Cc1[nH]c(C(=O)NCC[N@H+](C)C(C)C)c[nH+]1 ZINC000339224902 180130026 /nfs/dbraw/zinc/13/00/26/180130026.db2.gz VHMMDYJKCYBBLV-UHFFFAOYSA-N 2 2 224.308 0.788 20 0 BCADLP Cc1cnc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000427119901 191054289 /nfs/dbraw/zinc/05/42/89/191054289.db2.gz NUNWTWNMHCZLNC-AAEUAGOBSA-N 2 2 232.331 0.969 20 0 BCADLP Cc1cnc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000427119901 191054292 /nfs/dbraw/zinc/05/42/92/191054292.db2.gz NUNWTWNMHCZLNC-AAEUAGOBSA-N 2 2 232.331 0.969 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000362856254 180119301 /nfs/dbraw/zinc/11/93/01/180119301.db2.gz QOADADJVNLYKCE-WCBMZHEXSA-N 2 2 236.319 0.532 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000362856254 180119303 /nfs/dbraw/zinc/11/93/03/180119303.db2.gz QOADADJVNLYKCE-WCBMZHEXSA-N 2 2 236.319 0.532 20 0 BCADLP Cc1ncc(C[NH2+]C[C@H]2CCC[N@H+]2C)cn1 ZINC000309608902 180152551 /nfs/dbraw/zinc/15/25/51/180152551.db2.gz ZKMKODJJONMEIY-GFCCVEGCSA-N 2 2 220.320 0.969 20 0 BCADLP Cc1ncc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cn1 ZINC000309608902 180152553 /nfs/dbraw/zinc/15/25/53/180152553.db2.gz ZKMKODJJONMEIY-GFCCVEGCSA-N 2 2 220.320 0.969 20 0 BCADLP CC(C)(C[NH3+])C(=O)Nc1ccc(N)[nH+]c1 ZINC000309239663 350214597 /nfs/dbraw/zinc/21/45/97/350214597.db2.gz AFMDGLFGZXBVTK-UHFFFAOYSA-N 2 2 208.265 0.587 20 0 BCADLP Cc1[nH+]ccn1CCNC(=O)CCn1cc[nH+]c1 ZINC000263701535 180260241 /nfs/dbraw/zinc/26/02/41/180260241.db2.gz OOQWDDPJDGDBRS-UHFFFAOYSA-N 2 2 247.302 0.595 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC(=O)NCC1(C)C ZINC000282803676 180251374 /nfs/dbraw/zinc/25/13/74/180251374.db2.gz QYLYRVAGMRQXHK-UHFFFAOYSA-N 2 2 236.319 0.402 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC(=O)NCC1(C)C ZINC000282803676 180251376 /nfs/dbraw/zinc/25/13/76/180251376.db2.gz QYLYRVAGMRQXHK-UHFFFAOYSA-N 2 2 236.319 0.402 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000274463175 180253096 /nfs/dbraw/zinc/25/30/96/180253096.db2.gz MUAUPHKHXVHBQW-MGPLVRAMSA-N 2 2 243.376 0.890 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000274463175 180253097 /nfs/dbraw/zinc/25/30/97/180253097.db2.gz MUAUPHKHXVHBQW-MGPLVRAMSA-N 2 2 243.376 0.890 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCNC(=O)[C@H]1C ZINC000270639164 180254436 /nfs/dbraw/zinc/25/44/36/180254436.db2.gz IQLOIFIMGOLDNH-SECBINFHSA-N 2 2 222.292 0.012 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCNC(=O)[C@H]1C ZINC000270639164 180254440 /nfs/dbraw/zinc/25/44/40/180254440.db2.gz IQLOIFIMGOLDNH-SECBINFHSA-N 2 2 222.292 0.012 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@](C)(O)C1 ZINC000230070014 180255681 /nfs/dbraw/zinc/25/56/81/180255681.db2.gz JVBYKDSYYGHKFL-LLVKDONJSA-N 2 2 209.293 0.648 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@](C)(O)C1 ZINC000230070014 180255683 /nfs/dbraw/zinc/25/56/83/180255683.db2.gz JVBYKDSYYGHKFL-LLVKDONJSA-N 2 2 209.293 0.648 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000276758483 180256864 /nfs/dbraw/zinc/25/68/64/180256864.db2.gz JCYUBAYKCMUMBJ-PWSUYJOCSA-N 2 2 223.320 0.752 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000276758483 180256866 /nfs/dbraw/zinc/25/68/66/180256866.db2.gz JCYUBAYKCMUMBJ-PWSUYJOCSA-N 2 2 223.320 0.752 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280776385 180256876 /nfs/dbraw/zinc/25/68/76/180256876.db2.gz PQTDLLAKJDGRAL-LBPRGKRZSA-N 2 2 236.319 0.389 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280776385 180256878 /nfs/dbraw/zinc/25/68/78/180256878.db2.gz PQTDLLAKJDGRAL-LBPRGKRZSA-N 2 2 236.319 0.389 20 0 BCADLP Cc1[nH+]ccn1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000352808072 180258012 /nfs/dbraw/zinc/25/80/12/180258012.db2.gz YMGJBOGXPQPQPV-UHFFFAOYSA-N 2 2 247.302 0.664 20 0 BCADLP Cc1nccnc1CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000339529683 180274826 /nfs/dbraw/zinc/27/48/26/180274826.db2.gz RTMAWNNZRJDZMO-ZWNOBZJWSA-N 2 2 234.347 0.867 20 0 BCADLP Cc1nccnc1CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000339529683 180274829 /nfs/dbraw/zinc/27/48/29/180274829.db2.gz RTMAWNNZRJDZMO-ZWNOBZJWSA-N 2 2 234.347 0.867 20 0 BCADLP CC[NH+]1CCC([NH2+]Cc2cn[nH]c2)CC1 ZINC000038005630 350296280 /nfs/dbraw/zinc/29/62/80/350296280.db2.gz FIEYZMCMTCNMLL-UHFFFAOYSA-N 2 2 208.309 0.984 20 0 BCADLP CCOC[C@@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000068950337 350312094 /nfs/dbraw/zinc/31/20/94/350312094.db2.gz WHYAOGYRJPAFGT-LBPRGKRZSA-N 2 2 230.352 0.410 20 0 BCADLP CCOC[C@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000068950335 350312326 /nfs/dbraw/zinc/31/23/26/350312326.db2.gz WHYAOGYRJPAFGT-GFCCVEGCSA-N 2 2 230.352 0.410 20 0 BCADLP Cc1nccnc1[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000331317374 180283010 /nfs/dbraw/zinc/28/30/10/180283010.db2.gz GDWDZBFJXHAIMD-QWRGUYRKSA-N 2 2 238.335 0.358 20 0 BCADLP C[C@H]([NH3+])CCC(=O)N1CCn2cc[nH+]c2C1 ZINC000069840291 350419689 /nfs/dbraw/zinc/41/96/89/350419689.db2.gz GGONUBZEOJFTEL-VIFPVBQESA-N 2 2 222.292 0.353 20 0 BCADLP C[C@@H]([NH3+])CCC(=O)N1CCn2cc[nH+]c2C1 ZINC000069840292 350419754 /nfs/dbraw/zinc/41/97/54/350419754.db2.gz GGONUBZEOJFTEL-SECBINFHSA-N 2 2 222.292 0.353 20 0 BCADLP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000361231220 180381201 /nfs/dbraw/zinc/38/12/01/180381201.db2.gz SIFAQXQPQBOXCZ-GXSJLCMTSA-N 2 2 240.351 0.302 20 0 BCADLP Cc1cc(NC(=O)NC2C[NH2+]C2)c(C)c[nH+]1 ZINC000577472595 365962326 /nfs/dbraw/zinc/96/23/26/365962326.db2.gz DMIMGPOUGXGAJV-UHFFFAOYSA-N 2 2 220.276 0.214 20 0 BCADLP Cc1cccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)n1 ZINC000386292046 362962471 /nfs/dbraw/zinc/96/24/71/362962471.db2.gz DAVCIXIGVCHNBP-CQSZACIVSA-N 2 2 249.358 0.935 20 0 BCADLP Cc1cccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)n1 ZINC000386292046 362962473 /nfs/dbraw/zinc/96/24/73/362962473.db2.gz DAVCIXIGVCHNBP-CQSZACIVSA-N 2 2 249.358 0.935 20 0 BCADLP C[C@@H]([NH3+])CCNC(=O)CCn1cc[nH+]c1 ZINC000063170555 350572946 /nfs/dbraw/zinc/57/29/46/350572946.db2.gz NYQVTGFOJDUQEP-SECBINFHSA-N 2 2 210.281 0.127 20 0 BCADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCOCCO)C1 ZINC000606897450 350622890 /nfs/dbraw/zinc/62/28/90/350622890.db2.gz IFFWGXJSOHZWKI-LBPRGKRZSA-N 2 2 230.352 0.458 20 0 BCADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCOCCO)C1 ZINC000606897450 350622893 /nfs/dbraw/zinc/62/28/93/350622893.db2.gz IFFWGXJSOHZWKI-LBPRGKRZSA-N 2 2 230.352 0.458 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)CC[N@@H+]1C ZINC000222608361 490649309 /nfs/dbraw/zinc/64/93/09/490649309.db2.gz IBYJUUMRZORNSY-XHNCKOQMSA-N 2 2 240.269 0.982 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)CC[N@H+]1C ZINC000222608361 490649310 /nfs/dbraw/zinc/64/93/10/490649310.db2.gz IBYJUUMRZORNSY-XHNCKOQMSA-N 2 2 240.269 0.982 20 0 BCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000335616151 538097499 /nfs/dbraw/zinc/09/74/99/538097499.db2.gz CBVNXIXWVLXICT-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000335616151 538097503 /nfs/dbraw/zinc/09/75/03/538097503.db2.gz CBVNXIXWVLXICT-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000335616151 538097506 /nfs/dbraw/zinc/09/75/06/538097506.db2.gz CBVNXIXWVLXICT-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000335616151 538097509 /nfs/dbraw/zinc/09/75/09/538097509.db2.gz CBVNXIXWVLXICT-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCN(C)C2=O)C1 ZINC000245441818 350819912 /nfs/dbraw/zinc/81/99/12/350819912.db2.gz HPJGRALYUCVBJG-NEPJUHHUSA-N 2 2 239.363 0.491 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCN(C)C2=O)C1 ZINC000245441818 350819916 /nfs/dbraw/zinc/81/99/16/350819916.db2.gz HPJGRALYUCVBJG-NEPJUHHUSA-N 2 2 239.363 0.491 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000245441818 350819921 /nfs/dbraw/zinc/81/99/21/350819921.db2.gz HPJGRALYUCVBJG-NEPJUHHUSA-N 2 2 239.363 0.491 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC000245441818 350819923 /nfs/dbraw/zinc/81/99/23/350819923.db2.gz HPJGRALYUCVBJG-NEPJUHHUSA-N 2 2 239.363 0.491 20 0 BCADLP COCc1noc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000581726723 350768618 /nfs/dbraw/zinc/76/86/18/350768618.db2.gz BHRLOVGWJGVXNS-RKDXNWHRSA-N 2 2 240.307 0.385 20 0 BCADLP COCc1noc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000581726723 350768620 /nfs/dbraw/zinc/76/86/20/350768620.db2.gz BHRLOVGWJGVXNS-RKDXNWHRSA-N 2 2 240.307 0.385 20 0 BCADLP COc1ncncc1C[NH2+]CCc1c[nH+]cn1C ZINC000623085775 350842683 /nfs/dbraw/zinc/84/26/83/350842683.db2.gz DYNTUBLTBYSIOE-UHFFFAOYSA-N 2 2 247.302 0.551 20 0 BCADLP CC(C)C(=O)NCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400477720 323440960 /nfs/dbraw/zinc/44/09/60/323440960.db2.gz VJFZGJIVYLPRFZ-QWRGUYRKSA-N 2 2 227.352 0.489 20 0 BCADLP CC(C)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000070944263 351126313 /nfs/dbraw/zinc/12/63/13/351126313.db2.gz RNSMZZGDLSSQMV-UHFFFAOYSA-N 2 2 213.325 0.101 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000070944263 351126315 /nfs/dbraw/zinc/12/63/15/351126315.db2.gz RNSMZZGDLSSQMV-UHFFFAOYSA-N 2 2 213.325 0.101 20 0 BCADLP C[C@H]([NH2+]C1CC1)C(=O)NCCn1cc[nH+]c1 ZINC000382937763 351074587 /nfs/dbraw/zinc/07/45/87/351074587.db2.gz HRTGPPONIJRWOU-VIFPVBQESA-N 2 2 222.292 0.140 20 0 BCADLP CC[C@@H]1[C@@H](C(=O)NCc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000631240092 351291986 /nfs/dbraw/zinc/29/19/86/351291986.db2.gz ZYPHZWNGTSRMMS-VHSXEESVSA-N 2 2 236.319 0.756 20 0 BCADLP CC[C@@H]1[C@@H](C(=O)NCc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000631240092 351291988 /nfs/dbraw/zinc/29/19/88/351291988.db2.gz ZYPHZWNGTSRMMS-VHSXEESVSA-N 2 2 236.319 0.756 20 0 BCADLP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC([NH3+])CC1 ZINC000034939795 351355412 /nfs/dbraw/zinc/35/54/12/351355412.db2.gz BQFIVWMOVDPHHR-VIFPVBQESA-N 2 2 227.352 0.713 20 0 BCADLP CCc1c[nH]c(CC(=O)NCCC[NH2+]C)[nH+]1 ZINC000637805879 351642367 /nfs/dbraw/zinc/64/23/67/351642367.db2.gz LYUCUOSEMHVYQV-UHFFFAOYSA-N 2 2 224.308 0.240 20 0 BCADLP CCc1c[nH]c(CC(=O)NCC[C@H](C)[NH3+])[nH+]1 ZINC000637823773 351669146 /nfs/dbraw/zinc/66/91/46/351669146.db2.gz IMXZQZNFSADBGO-QMMMGPOBSA-N 2 2 224.308 0.368 20 0 BCADLP CC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000637826913 351675004 /nfs/dbraw/zinc/67/50/04/351675004.db2.gz JNUOHZMSJDIEGB-RKDXNWHRSA-N 2 2 222.292 0.239 20 0 BCADLP CC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000637826913 351675007 /nfs/dbraw/zinc/67/50/07/351675007.db2.gz JNUOHZMSJDIEGB-RKDXNWHRSA-N 2 2 222.292 0.239 20 0 BCADLP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000637828352 351675216 /nfs/dbraw/zinc/67/52/16/351675216.db2.gz ZBRMDDGAOCKYEJ-IVZWLZJFSA-N 2 2 234.303 0.381 20 0 BCADLP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000637828352 351675217 /nfs/dbraw/zinc/67/52/17/351675217.db2.gz ZBRMDDGAOCKYEJ-IVZWLZJFSA-N 2 2 234.303 0.381 20 0 BCADLP CC(C)=C(C)CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000637865709 351725667 /nfs/dbraw/zinc/72/56/67/351725667.db2.gz DLEHNPWTZMXCTR-GFCCVEGCSA-N 2 2 239.363 0.834 20 0 BCADLP CC(C)=C(C)CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000637865709 351725668 /nfs/dbraw/zinc/72/56/68/351725668.db2.gz DLEHNPWTZMXCTR-GFCCVEGCSA-N 2 2 239.363 0.834 20 0 BCADLP C[NH+](C)CCCCNC(=O)Cn1cc[nH+]c1 ZINC000577808942 366065281 /nfs/dbraw/zinc/06/52/81/366065281.db2.gz PJWIPZBTSQFUSU-UHFFFAOYSA-N 2 2 224.308 0.341 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000637852593 351711490 /nfs/dbraw/zinc/71/14/90/351711490.db2.gz OEHKWGLWNRHTGE-GFCCVEGCSA-N 2 2 238.335 0.750 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000637852593 351711494 /nfs/dbraw/zinc/71/14/94/351711494.db2.gz OEHKWGLWNRHTGE-GFCCVEGCSA-N 2 2 238.335 0.750 20 0 BCADLP [NH3+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000637855549 351715059 /nfs/dbraw/zinc/71/50/59/351715059.db2.gz QCCAZVVHBATHSD-OPRDCNLKSA-N 2 2 234.303 0.367 20 0 BCADLP [NH3+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000637855549 351715063 /nfs/dbraw/zinc/71/50/63/351715063.db2.gz QCCAZVVHBATHSD-OPRDCNLKSA-N 2 2 234.303 0.367 20 0 BCADLP CC[NH+]1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000279286905 351806263 /nfs/dbraw/zinc/80/62/63/351806263.db2.gz XPWRQXNHKJQXAY-UHFFFAOYSA-N 2 2 236.319 0.425 20 0 BCADLP CCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638144726 352007294 /nfs/dbraw/zinc/00/72/94/352007294.db2.gz DXCYLCYVCWKNFR-NXEZZACHSA-N 2 2 236.319 0.629 20 0 BCADLP CCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638144726 352007299 /nfs/dbraw/zinc/00/72/99/352007299.db2.gz DXCYLCYVCWKNFR-NXEZZACHSA-N 2 2 236.319 0.629 20 0 BCADLP CC[NH2+][C@H](C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000638077890 351951247 /nfs/dbraw/zinc/95/12/47/351951247.db2.gz XTZXHPRWTBHUPF-WDEREUQCSA-N 2 2 238.335 0.633 20 0 BCADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000638116716 351991545 /nfs/dbraw/zinc/99/15/45/351991545.db2.gz OXZKASNJJRVOFS-KOLCDFICSA-N 2 2 246.270 0.389 20 0 BCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000638200079 352060047 /nfs/dbraw/zinc/06/00/47/352060047.db2.gz NRAIWKQGXIPTNU-LMLFDSFASA-N 2 2 248.330 0.899 20 0 BCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000638200079 352060052 /nfs/dbraw/zinc/06/00/52/352060052.db2.gz NRAIWKQGXIPTNU-LMLFDSFASA-N 2 2 248.330 0.899 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000638199097 352062643 /nfs/dbraw/zinc/06/26/43/352062643.db2.gz HCNOWGWUWFHSOV-UWVGGRQHSA-N 2 2 236.319 0.647 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000638199097 352062647 /nfs/dbraw/zinc/06/26/47/352062647.db2.gz HCNOWGWUWFHSOV-UWVGGRQHSA-N 2 2 236.319 0.647 20 0 BCADLP C[C@H]1[NH2+]CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1C ZINC000638203768 352064950 /nfs/dbraw/zinc/06/49/50/352064950.db2.gz HNPHWOKIBMOOJJ-LMLFDSFASA-N 2 2 248.330 0.722 20 0 BCADLP C[C@H]1[NH2+]CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1C ZINC000638203768 352064955 /nfs/dbraw/zinc/06/49/55/352064955.db2.gz HNPHWOKIBMOOJJ-LMLFDSFASA-N 2 2 248.330 0.722 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000638158382 352022492 /nfs/dbraw/zinc/02/24/92/352022492.db2.gz PRLHYISTTKYLNZ-DTWKUNHWSA-N 2 2 236.319 0.469 20 0 BCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H](C)C[NH2+]1 ZINC000638157857 352025649 /nfs/dbraw/zinc/02/56/49/352025649.db2.gz GFTOGTYYUCCOCE-LMLFDSFASA-N 2 2 248.330 0.722 20 0 BCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638157858 352025773 /nfs/dbraw/zinc/02/57/73/352025773.db2.gz GFTOGTYYUCCOCE-LNFKQOIKSA-N 2 2 248.330 0.722 20 0 BCADLP CC[NH2+][C@@H](C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000638299470 352130957 /nfs/dbraw/zinc/13/09/57/352130957.db2.gz CWLVIVFGKZLNOY-NSHDSACASA-N 2 2 238.335 0.730 20 0 BCADLP C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H](C)[NH3+] ZINC000638256655 352100037 /nfs/dbraw/zinc/10/00/37/352100037.db2.gz QHJVPMAQFFSTLZ-JQCXWYLXSA-N 2 2 222.292 0.365 20 0 BCADLP C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H](C)[NH3+] ZINC000638256655 352100040 /nfs/dbraw/zinc/10/00/40/352100040.db2.gz QHJVPMAQFFSTLZ-JQCXWYLXSA-N 2 2 222.292 0.365 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](CC[NH3+])C(F)F ZINC000638256080 352102957 /nfs/dbraw/zinc/10/29/57/352102957.db2.gz OQZSHWDNFHYLPF-SSDOTTSWSA-N 2 2 246.261 0.359 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H](CC[NH3+])C(F)F ZINC000638256080 352102960 /nfs/dbraw/zinc/10/29/60/352102960.db2.gz OQZSHWDNFHYLPF-SSDOTTSWSA-N 2 2 246.261 0.359 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000638256084 352103160 /nfs/dbraw/zinc/10/31/60/352103160.db2.gz OQZSHWDNFHYLPF-ZETCQYMHSA-N 2 2 246.261 0.359 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000638256084 352103162 /nfs/dbraw/zinc/10/31/62/352103162.db2.gz OQZSHWDNFHYLPF-ZETCQYMHSA-N 2 2 246.261 0.359 20 0 BCADLP CC(C)CC[C@H]([NH3+])C(=O)NCc1c[nH+]c[nH]1 ZINC000638281137 352116937 /nfs/dbraw/zinc/11/69/37/352116937.db2.gz JHFYEFCCPUWVTG-JTQLQIEISA-N 2 2 224.308 0.789 20 0 BCADLP CC(C)CC[C@H]([NH3+])C(=O)NCc1c[nH]c[nH+]1 ZINC000638281137 352116938 /nfs/dbraw/zinc/11/69/38/352116938.db2.gz JHFYEFCCPUWVTG-JTQLQIEISA-N 2 2 224.308 0.789 20 0 BCADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638364826 352175376 /nfs/dbraw/zinc/17/53/76/352175376.db2.gz RWFIOHUUHKDYNR-GWOFURMSSA-N 2 2 248.330 0.899 20 0 BCADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638364826 352175377 /nfs/dbraw/zinc/17/53/77/352175377.db2.gz RWFIOHUUHKDYNR-GWOFURMSSA-N 2 2 248.330 0.899 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]C1CC1 ZINC000638375508 352185061 /nfs/dbraw/zinc/18/50/61/352185061.db2.gz ZDXIWGPYZIFUAV-UHFFFAOYSA-N 2 2 236.319 0.519 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)NCCC[NH2+]C1CC1 ZINC000638375508 352185064 /nfs/dbraw/zinc/18/50/64/352185064.db2.gz ZDXIWGPYZIFUAV-UHFFFAOYSA-N 2 2 236.319 0.519 20 0 BCADLP O=C(NCCC[NH2+]C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638374013 352186587 /nfs/dbraw/zinc/18/65/87/352186587.db2.gz GUYWKRMEXFJTHG-GHMZBOCLSA-N 2 2 248.330 0.772 20 0 BCADLP O=C(NCCC[NH2+]C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638374013 352186588 /nfs/dbraw/zinc/18/65/88/352186588.db2.gz GUYWKRMEXFJTHG-GHMZBOCLSA-N 2 2 248.330 0.772 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H]2C[C@@H](CO)C2)n1C ZINC000630073862 363157396 /nfs/dbraw/zinc/15/73/96/363157396.db2.gz JVKFHDIFNJRRDP-AOOOYVTPSA-N 2 2 209.293 0.589 20 0 BCADLP Cc1cn2c([nH+]1)CN(C(=O)C1([NH+](C)C)CC1)CC2 ZINC000613401482 363170692 /nfs/dbraw/zinc/17/06/92/363170692.db2.gz RIVZUMZHERMOPK-UHFFFAOYSA-N 2 2 248.330 0.628 20 0 BCADLP CO[C@H](C[NH2+]C[C@H]1CCC[N@@H+]1C)[C@@H]1CCOC1 ZINC000638442705 352252197 /nfs/dbraw/zinc/25/21/97/352252197.db2.gz BFQFNEFJECLFNT-JHJVBQTASA-N 2 2 242.363 0.722 20 0 BCADLP CO[C@H](C[NH2+]C[C@H]1CCC[N@H+]1C)[C@@H]1CCOC1 ZINC000638442705 352252201 /nfs/dbraw/zinc/25/22/01/352252201.db2.gz BFQFNEFJECLFNT-JHJVBQTASA-N 2 2 242.363 0.722 20 0 BCADLP CCn1cc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cn1 ZINC000414931983 352338657 /nfs/dbraw/zinc/33/86/57/352338657.db2.gz QNWWUMGKESMPCL-JQWIXIFHSA-N 2 2 222.336 0.991 20 0 BCADLP CCN(CC[NH3+])C(=O)Cc1[nH]c[nH+]c1C ZINC000638512784 352339268 /nfs/dbraw/zinc/33/92/68/352339268.db2.gz MXVCFUALETVWDN-UHFFFAOYSA-N 2 2 210.281 0.068 20 0 BCADLP CCN(CC[NH3+])C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000638516242 352343779 /nfs/dbraw/zinc/34/37/79/352343779.db2.gz PFIVQFZCSOVNSZ-JTQLQIEISA-N 2 2 224.308 0.641 20 0 BCADLP CCN(CC[NH3+])C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000638516243 352343927 /nfs/dbraw/zinc/34/39/27/352343927.db2.gz PFIVQFZCSOVNSZ-SNVBAGLBSA-N 2 2 224.308 0.641 20 0 BCADLP CNC(=O)c1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000043324428 187702812 /nfs/dbraw/zinc/70/28/12/187702812.db2.gz XGHBMGQHNGXAPE-CYBMUJFWSA-N 2 2 247.342 0.888 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000070854836 180744443 /nfs/dbraw/zinc/74/44/43/180744443.db2.gz NXYYBCFLHSTVTL-VIFPVBQESA-N 2 2 222.292 0.178 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCC[C@H]2CCO2)C1 ZINC000638636660 352478690 /nfs/dbraw/zinc/47/86/90/352478690.db2.gz GIGQNOGCLXHHLH-OLZOCXBDSA-N 2 2 242.363 0.866 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCC[C@H]2CCO2)C1 ZINC000638636660 352478693 /nfs/dbraw/zinc/47/86/93/352478693.db2.gz GIGQNOGCLXHHLH-OLZOCXBDSA-N 2 2 242.363 0.866 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224229853 363190342 /nfs/dbraw/zinc/19/03/42/363190342.db2.gz QIIFXJWLDHAGJC-IUCAKERBSA-N 2 2 200.282 0.219 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224229853 363190347 /nfs/dbraw/zinc/19/03/47/363190347.db2.gz QIIFXJWLDHAGJC-IUCAKERBSA-N 2 2 200.282 0.219 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638765234 352703933 /nfs/dbraw/zinc/70/39/33/352703933.db2.gz FFHMSRJNFWHHNA-IONNQARKSA-N 2 2 222.292 0.127 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638765234 352703935 /nfs/dbraw/zinc/70/39/35/352703935.db2.gz FFHMSRJNFWHHNA-IONNQARKSA-N 2 2 222.292 0.127 20 0 BCADLP Cn1ncc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000367711077 180815763 /nfs/dbraw/zinc/81/57/63/180815763.db2.gz XIICHBUURQNLAS-GFCCVEGCSA-N 2 2 246.318 0.849 20 0 BCADLP Cn1ncc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000367711077 180815765 /nfs/dbraw/zinc/81/57/65/180815765.db2.gz XIICHBUURQNLAS-GFCCVEGCSA-N 2 2 246.318 0.849 20 0 BCADLP C[C@H]1C[N@H+](C)CCN1Cc1c[nH+]cn1C ZINC000334312090 352943784 /nfs/dbraw/zinc/94/37/84/352943784.db2.gz HBAOLSGSCJPMBL-JTQLQIEISA-N 2 2 208.309 0.556 20 0 BCADLP C[C@H]1C[N@@H+](C)CCN1Cc1c[nH+]cn1C ZINC000334312090 352943786 /nfs/dbraw/zinc/94/37/86/352943786.db2.gz HBAOLSGSCJPMBL-JTQLQIEISA-N 2 2 208.309 0.556 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000343079270 352955392 /nfs/dbraw/zinc/95/53/92/352955392.db2.gz HAMNSXJNNPTKHL-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000343079270 352955396 /nfs/dbraw/zinc/95/53/96/352955396.db2.gz HAMNSXJNNPTKHL-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP C[C@@H](C[NH2+]CC(C)(C)N1CCOCC1)[NH+](C)C ZINC000638864745 353038621 /nfs/dbraw/zinc/03/86/21/353038621.db2.gz CKSBTYINGONCSB-LBPRGKRZSA-N 2 2 243.395 0.637 20 0 BCADLP C[C@H](C[NH2+][C@@H](C)Cc1cnccn1)[NH+](C)C ZINC000638866234 353040475 /nfs/dbraw/zinc/04/04/75/353040475.db2.gz PLJSUFTWYPMYKL-WDEREUQCSA-N 2 2 222.336 0.947 20 0 BCADLP CC(C)[C@H](CO)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336760142 188001174 /nfs/dbraw/zinc/00/11/74/188001174.db2.gz LZEXGYYHTHPBJC-SDDRHHMPSA-N 2 2 214.353 0.791 20 0 BCADLP CC(C)[C@H](CO)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336760142 188001176 /nfs/dbraw/zinc/00/11/76/188001176.db2.gz LZEXGYYHTHPBJC-SDDRHHMPSA-N 2 2 214.353 0.791 20 0 BCADLP CCc1c[nH]c(CC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[nH+]1 ZINC000638917180 353081078 /nfs/dbraw/zinc/08/10/78/353081078.db2.gz BJGVHJVWQPMNGI-UWVGGRQHSA-N 2 2 234.303 0.087 20 0 BCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926639 353087274 /nfs/dbraw/zinc/08/72/74/353087274.db2.gz JNQQAWGPQRJEDZ-LMLFDSFASA-N 2 2 246.314 0.476 20 0 BCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926639 353087276 /nfs/dbraw/zinc/08/72/76/353087276.db2.gz JNQQAWGPQRJEDZ-LMLFDSFASA-N 2 2 246.314 0.476 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)CCn1cc[nH+]c1 ZINC000638933389 353095705 /nfs/dbraw/zinc/09/57/05/353095705.db2.gz BYQGLYNYIQPKLI-VHSXEESVSA-N 2 2 222.292 0.221 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638928543 353098359 /nfs/dbraw/zinc/09/83/59/353098359.db2.gz AUEXPQCVRNRQSN-VXNVDRBHSA-N 2 2 222.292 0.209 20 0 BCADLP C[C@@H]1COCC[NH+]1CCN1CC[N@@H+](C)C[C@@H]1C ZINC000337191383 188015008 /nfs/dbraw/zinc/01/50/08/188015008.db2.gz SKYGEPDUFOYWKQ-QWHCGFSZSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1COCC[NH+]1CCN1CC[N@H+](C)C[C@@H]1C ZINC000337191383 188015010 /nfs/dbraw/zinc/01/50/10/188015010.db2.gz SKYGEPDUFOYWKQ-QWHCGFSZSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1COCC[N@H+]1CCN1CC[NH+](C)C[C@@H]1C ZINC000337191383 188015012 /nfs/dbraw/zinc/01/50/12/188015012.db2.gz SKYGEPDUFOYWKQ-QWHCGFSZSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1COCC[N@@H+]1CCN1CC[NH+](C)C[C@@H]1C ZINC000337191383 188015014 /nfs/dbraw/zinc/01/50/14/188015014.db2.gz SKYGEPDUFOYWKQ-QWHCGFSZSA-N 2 2 241.379 0.343 20 0 BCADLP CC(C)N1CCN(CCn2cc[nH+]c2)CC1=O ZINC000272502445 188026219 /nfs/dbraw/zinc/02/62/19/188026219.db2.gz DSSITHSTHUBQBJ-UHFFFAOYSA-N 2 2 236.319 0.436 20 0 BCADLP CC(C)N1CC[N@H+](CCn2cc[nH+]c2)CC1=O ZINC000272502445 188026221 /nfs/dbraw/zinc/02/62/21/188026221.db2.gz DSSITHSTHUBQBJ-UHFFFAOYSA-N 2 2 236.319 0.436 20 0 BCADLP CC(C)N1CC[N@@H+](CCn2cc[nH+]c2)CC1=O ZINC000272502445 188026223 /nfs/dbraw/zinc/02/62/23/188026223.db2.gz DSSITHSTHUBQBJ-UHFFFAOYSA-N 2 2 236.319 0.436 20 0 BCADLP CC(C)[N@H+](CCn1cc[nH+]c1)C1COC1 ZINC000295585251 188039852 /nfs/dbraw/zinc/03/98/52/188039852.db2.gz ZWWBUROSWSTEBB-UHFFFAOYSA-N 2 2 209.293 0.992 20 0 BCADLP CC(C)[N@@H+](CCn1cc[nH+]c1)C1COC1 ZINC000295585251 188039854 /nfs/dbraw/zinc/03/98/54/188039854.db2.gz ZWWBUROSWSTEBB-UHFFFAOYSA-N 2 2 209.293 0.992 20 0 BCADLP CC[NH2+][C@@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000639017413 353271598 /nfs/dbraw/zinc/27/15/98/353271598.db2.gz VEXQOFASTFDYTR-QMMMGPOBSA-N 2 2 210.281 0.366 20 0 BCADLP Cc1ccc(CCC[NH2+]CCOCCO)c[nH+]1 ZINC000353946332 188234764 /nfs/dbraw/zinc/23/47/64/188234764.db2.gz UNZXHQTWEALTOV-UHFFFAOYSA-N 2 2 238.331 0.921 20 0 BCADLP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000355333465 188236390 /nfs/dbraw/zinc/23/63/90/188236390.db2.gz MKTWHKXALZGASG-LBPRGKRZSA-N 2 2 241.379 0.737 20 0 BCADLP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000355333465 188236392 /nfs/dbraw/zinc/23/63/92/188236392.db2.gz MKTWHKXALZGASG-LBPRGKRZSA-N 2 2 241.379 0.737 20 0 BCADLP OCCCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000304359667 188250274 /nfs/dbraw/zinc/25/02/74/188250274.db2.gz XPHIZDUJGSLKSO-CYBMUJFWSA-N 2 2 242.363 0.413 20 0 BCADLP OCCCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000304359667 188250275 /nfs/dbraw/zinc/25/02/75/188250275.db2.gz XPHIZDUJGSLKSO-CYBMUJFWSA-N 2 2 242.363 0.413 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639054419 353359456 /nfs/dbraw/zinc/35/94/56/353359456.db2.gz QVAWEIGCNHGIFC-CLLJXQQHSA-N 2 2 226.364 0.936 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639054419 353359460 /nfs/dbraw/zinc/35/94/60/353359460.db2.gz QVAWEIGCNHGIFC-CLLJXQQHSA-N 2 2 226.364 0.936 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]CCC1CCOCC1 ZINC000639051933 353351900 /nfs/dbraw/zinc/35/19/00/353351900.db2.gz ASONFSIPMQLDAP-UHFFFAOYSA-N 2 2 244.379 0.707 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]CCC1CCOCC1 ZINC000639051933 353351901 /nfs/dbraw/zinc/35/19/01/353351901.db2.gz ASONFSIPMQLDAP-UHFFFAOYSA-N 2 2 244.379 0.707 20 0 BCADLP CC(C)C[C@H](C[NH2+][C@H](C)CC(N)=O)[NH+](C)C ZINC000336682943 188342007 /nfs/dbraw/zinc/34/20/07/188342007.db2.gz SDRGVAYOHRZBOS-GHMZBOCLSA-N 2 2 229.368 0.816 20 0 BCADLP C[C@@H]1CC[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000135803627 538117013 /nfs/dbraw/zinc/11/70/13/538117013.db2.gz ZIJDAQAMCOMDPJ-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(F)cn1 ZINC000092747270 353443559 /nfs/dbraw/zinc/44/35/59/353443559.db2.gz HVOOELAIZXUMGP-MWLCHTKSSA-N 2 2 241.310 0.794 20 0 BCADLP COCC[N@H+](C)CCC[NH2+][C@H]1CN(C)C[C@H]1C ZINC000343301767 353467315 /nfs/dbraw/zinc/46/73/15/353467315.db2.gz JFKLYYRADOPARY-OLZOCXBDSA-N 2 2 243.395 0.494 20 0 BCADLP COCC[N@@H+](C)CCC[NH2+][C@H]1CN(C)C[C@H]1C ZINC000343301767 353467319 /nfs/dbraw/zinc/46/73/19/353467319.db2.gz JFKLYYRADOPARY-OLZOCXBDSA-N 2 2 243.395 0.494 20 0 BCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C1CSC1 ZINC000309066642 491052152 /nfs/dbraw/zinc/05/21/52/491052152.db2.gz ZUDDEGPRTHSAQO-NSHDSACASA-N 2 2 230.377 0.802 20 0 BCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C1CSC1 ZINC000309066642 491052153 /nfs/dbraw/zinc/05/21/53/491052153.db2.gz ZUDDEGPRTHSAQO-NSHDSACASA-N 2 2 230.377 0.802 20 0 BCADLP CN(C)c1nc(N2CCn3c[nH+]cc3C2)cc[nH+]1 ZINC000577908855 366100781 /nfs/dbraw/zinc/10/07/81/366100781.db2.gz NOWZLGGMYRSQLA-UHFFFAOYSA-N 2 2 244.302 0.759 20 0 BCADLP [NH3+]C1(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000083835703 353711637 /nfs/dbraw/zinc/71/16/37/353711637.db2.gz RBVQMWZVQAWVRW-UHFFFAOYSA-N 2 2 222.292 0.271 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H](C)OC ZINC000308980296 353774113 /nfs/dbraw/zinc/77/41/13/353774113.db2.gz DQACBLXUKGZRRT-MNOVXSKESA-N 2 2 218.341 0.266 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H](C)OC ZINC000308980296 353774115 /nfs/dbraw/zinc/77/41/15/353774115.db2.gz DQACBLXUKGZRRT-MNOVXSKESA-N 2 2 218.341 0.266 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H](C)OC ZINC000308980296 353774116 /nfs/dbraw/zinc/77/41/16/353774116.db2.gz DQACBLXUKGZRRT-MNOVXSKESA-N 2 2 218.341 0.266 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H](C)OC ZINC000308980296 353774118 /nfs/dbraw/zinc/77/41/18/353774118.db2.gz DQACBLXUKGZRRT-MNOVXSKESA-N 2 2 218.341 0.266 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H](C)OC ZINC000308980297 353774138 /nfs/dbraw/zinc/77/41/38/353774138.db2.gz DQACBLXUKGZRRT-QWRGUYRKSA-N 2 2 218.341 0.266 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H](C)OC ZINC000308980297 353774141 /nfs/dbraw/zinc/77/41/41/353774141.db2.gz DQACBLXUKGZRRT-QWRGUYRKSA-N 2 2 218.341 0.266 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H](C)OC ZINC000308980297 353774142 /nfs/dbraw/zinc/77/41/42/353774142.db2.gz DQACBLXUKGZRRT-QWRGUYRKSA-N 2 2 218.341 0.266 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H](C)OC ZINC000308980297 353774145 /nfs/dbraw/zinc/77/41/45/353774145.db2.gz DQACBLXUKGZRRT-QWRGUYRKSA-N 2 2 218.341 0.266 20 0 BCADLP NC(=O)N[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000343565048 353936217 /nfs/dbraw/zinc/93/62/17/353936217.db2.gz QHTWZVYIEYNXRU-JTQLQIEISA-N 2 2 237.307 0.016 20 0 BCADLP NC(=O)N[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000343565048 353936219 /nfs/dbraw/zinc/93/62/19/353936219.db2.gz QHTWZVYIEYNXRU-JTQLQIEISA-N 2 2 237.307 0.016 20 0 BCADLP NC(=O)N[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000343565050 353936259 /nfs/dbraw/zinc/93/62/59/353936259.db2.gz QHTWZVYIEYNXRU-SNVBAGLBSA-N 2 2 237.307 0.016 20 0 BCADLP NC(=O)N[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000343565050 353936260 /nfs/dbraw/zinc/93/62/60/353936260.db2.gz QHTWZVYIEYNXRU-SNVBAGLBSA-N 2 2 237.307 0.016 20 0 BCADLP CC(C)N1CCC[C@@H]([N@@H+]2CCC[C@@H]2C[NH3+])C1=O ZINC000334555064 353999635 /nfs/dbraw/zinc/99/96/35/353999635.db2.gz FWEIIIKKQPEUAK-VXGBXAGGSA-N 2 2 239.363 0.809 20 0 BCADLP CC(C)N1CCC[C@@H]([N@H+]2CCC[C@@H]2C[NH3+])C1=O ZINC000334555064 353999639 /nfs/dbraw/zinc/99/96/39/353999639.db2.gz FWEIIIKKQPEUAK-VXGBXAGGSA-N 2 2 239.363 0.809 20 0 BCADLP [NH3+]C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000623176311 354010214 /nfs/dbraw/zinc/01/02/14/354010214.db2.gz UMIYFXGIHHCZEO-MNOVXSKESA-N 2 2 248.330 0.299 20 0 BCADLP Cc1cncc([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c1 ZINC000343842808 354020365 /nfs/dbraw/zinc/02/03/65/354020365.db2.gz VLQROPQFQFKNOR-WCQYABFASA-N 2 2 237.347 0.963 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCN(C)CCOC)C1 ZINC000343894343 354051839 /nfs/dbraw/zinc/05/18/39/354051839.db2.gz RQNGRGFUPMSBKD-OLZOCXBDSA-N 2 2 243.395 0.494 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCN(C)CCOC)C1 ZINC000343894343 354051840 /nfs/dbraw/zinc/05/18/40/354051840.db2.gz RQNGRGFUPMSBKD-OLZOCXBDSA-N 2 2 243.395 0.494 20 0 BCADLP [NH3+]C1(c2noc(C[NH2+]C3CC3)n2)CCC1 ZINC000390218601 354053918 /nfs/dbraw/zinc/05/39/18/354053918.db2.gz YFBJZLMTPIENJJ-UHFFFAOYSA-N 2 2 208.265 0.660 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](O)COCC1CC1 ZINC000344170030 354171610 /nfs/dbraw/zinc/17/16/10/354171610.db2.gz LQCFHGXMCFWUCT-RTXFEEFZSA-N 2 2 242.363 0.314 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](O)COCC1CC1 ZINC000344170030 354171614 /nfs/dbraw/zinc/17/16/14/354171614.db2.gz LQCFHGXMCFWUCT-RTXFEEFZSA-N 2 2 242.363 0.314 20 0 BCADLP CC[C@H]([NH3+])CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623179089 354147182 /nfs/dbraw/zinc/14/71/82/354147182.db2.gz WEDXNILOXMAYMK-UWVGGRQHSA-N 2 2 236.319 0.299 20 0 BCADLP CC[C@H]([NH3+])CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623179091 354147352 /nfs/dbraw/zinc/14/73/52/354147352.db2.gz WEDXNILOXMAYMK-ZJUUUORDSA-N 2 2 236.319 0.299 20 0 BCADLP CCN(CC[NH3+])C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623180367 354241706 /nfs/dbraw/zinc/24/17/06/354241706.db2.gz ASHYVGNCBYCJCE-SNVBAGLBSA-N 2 2 236.319 0.253 20 0 BCADLP C[NH+]1CCC([NH2+]C[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000334615716 354302355 /nfs/dbraw/zinc/30/23/55/354302355.db2.gz MSMHIJXEFHQMPG-SNVBAGLBSA-N 3 2 247.333 0.915 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCO[C@@H]1CCOC1 ZINC000344626157 354330121 /nfs/dbraw/zinc/33/01/21/354330121.db2.gz BWGVYLOKGKYOCV-UPJWGTAASA-N 2 2 242.363 0.722 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCO[C@@H]1CCOC1 ZINC000344626157 354330124 /nfs/dbraw/zinc/33/01/24/354330124.db2.gz BWGVYLOKGKYOCV-UPJWGTAASA-N 2 2 242.363 0.722 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000344668295 354341788 /nfs/dbraw/zinc/34/17/88/354341788.db2.gz JRXFDRNXPWPFEY-SUZMYJTESA-N 2 2 234.347 0.807 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000344668295 354341789 /nfs/dbraw/zinc/34/17/89/354341789.db2.gz JRXFDRNXPWPFEY-SUZMYJTESA-N 2 2 234.347 0.807 20 0 BCADLP CN(C)c1nc(N2CC[NH+]3CCC2CC3)cc[nH+]1 ZINC000344755078 354351005 /nfs/dbraw/zinc/35/10/05/354351005.db2.gz BLWKCEBCYRYORI-UHFFFAOYSA-N 2 2 247.346 0.827 20 0 BCADLP Cn1nccc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000334648671 354440004 /nfs/dbraw/zinc/44/00/04/354440004.db2.gz WKXMUFKZOIXKRO-VIFPVBQESA-N 2 2 231.303 0.790 20 0 BCADLP Cn1nccc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000334648671 354440005 /nfs/dbraw/zinc/44/00/05/354440005.db2.gz WKXMUFKZOIXKRO-VIFPVBQESA-N 2 2 231.303 0.790 20 0 BCADLP CCn1ncnc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000639190769 354426032 /nfs/dbraw/zinc/42/60/32/354426032.db2.gz CHSHAQWYWMGTDL-VIFPVBQESA-N 2 2 246.318 0.668 20 0 BCADLP CCn1ncnc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000639190769 354426035 /nfs/dbraw/zinc/42/60/35/354426035.db2.gz CHSHAQWYWMGTDL-VIFPVBQESA-N 2 2 246.318 0.668 20 0 BCADLP Cn1nccc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000334648665 354440140 /nfs/dbraw/zinc/44/01/40/354440140.db2.gz WKXMUFKZOIXKRO-SECBINFHSA-N 2 2 231.303 0.790 20 0 BCADLP Cn1nccc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000334648665 354440145 /nfs/dbraw/zinc/44/01/45/354440145.db2.gz WKXMUFKZOIXKRO-SECBINFHSA-N 2 2 231.303 0.790 20 0 BCADLP O=C1[C@@H]([N@@H+]2CCC[NH2+]CC2)CCN1C1CC1 ZINC000334660240 354459350 /nfs/dbraw/zinc/45/93/50/354459350.db2.gz GBBHHYROHYYBGC-NSHDSACASA-N 2 2 223.320 0.045 20 0 BCADLP O=C1[C@@H]([N@H+]2CCC[NH2+]CC2)CCN1C1CC1 ZINC000334660240 354459354 /nfs/dbraw/zinc/45/93/54/354459354.db2.gz GBBHHYROHYYBGC-NSHDSACASA-N 2 2 223.320 0.045 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)C1CCOCC1 ZINC000346539911 354980959 /nfs/dbraw/zinc/98/09/59/354980959.db2.gz LKMQHECXGJZEJJ-LBPRGKRZSA-N 2 2 244.379 0.705 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)C1CCOCC1 ZINC000346539911 354980964 /nfs/dbraw/zinc/98/09/64/354980964.db2.gz LKMQHECXGJZEJJ-LBPRGKRZSA-N 2 2 244.379 0.705 20 0 BCADLP [NH3+][C@H]1CCN(Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000346688437 355013738 /nfs/dbraw/zinc/01/37/38/355013738.db2.gz ODTKCFSTXZWTAW-QMMMGPOBSA-N 2 2 248.252 0.978 20 0 BCADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000335184091 355082462 /nfs/dbraw/zinc/08/24/62/355082462.db2.gz OGJWZMJNSLKFKW-LBPRGKRZSA-N 2 2 237.347 0.387 20 0 BCADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000335184091 355082466 /nfs/dbraw/zinc/08/24/66/355082466.db2.gz OGJWZMJNSLKFKW-LBPRGKRZSA-N 2 2 237.347 0.387 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2CC[NH2+]C2(C)C)c[nH+]1 ZINC000335232280 355093222 /nfs/dbraw/zinc/09/32/22/355093222.db2.gz PIUSISTVNSHCHG-SECBINFHSA-N 2 2 222.292 0.588 20 0 BCADLP COC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346831263 355128858 /nfs/dbraw/zinc/12/88/58/355128858.db2.gz KIQVOIDRYSXPLL-GHMZBOCLSA-N 2 2 226.320 0.623 20 0 BCADLP COC(=O)[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346831263 355128860 /nfs/dbraw/zinc/12/88/60/355128860.db2.gz KIQVOIDRYSXPLL-GHMZBOCLSA-N 2 2 226.320 0.623 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000346850054 355137837 /nfs/dbraw/zinc/13/78/37/355137837.db2.gz PGOAVPMSWFBVOU-SNVBAGLBSA-N 2 2 225.336 0.467 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000346850054 355137841 /nfs/dbraw/zinc/13/78/41/355137841.db2.gz PGOAVPMSWFBVOU-SNVBAGLBSA-N 2 2 225.336 0.467 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+]C[C@H](C)[NH+](C)C ZINC000639233712 355216238 /nfs/dbraw/zinc/21/62/38/355216238.db2.gz PRRFTGHLPYSXSC-UWVGGRQHSA-N 2 2 211.313 0.206 20 0 BCADLP C[C@@H]1C[N@H+](Cc2ccnc(N(C)C)n2)CC[C@H]1[NH3+] ZINC000346995658 355193529 /nfs/dbraw/zinc/19/35/29/355193529.db2.gz BRLOHQIOMIOISJ-ZYHUDNBSSA-N 2 2 249.362 0.712 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)n2)CC[C@H]1[NH3+] ZINC000346995658 355193530 /nfs/dbraw/zinc/19/35/30/355193530.db2.gz BRLOHQIOMIOISJ-ZYHUDNBSSA-N 2 2 249.362 0.712 20 0 BCADLP C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346999710 355196796 /nfs/dbraw/zinc/19/67/96/355196796.db2.gz YYBGJRMKSLXYJH-GHMZBOCLSA-N 2 2 248.392 0.351 20 0 BCADLP C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346999710 355196798 /nfs/dbraw/zinc/19/67/98/355196798.db2.gz YYBGJRMKSLXYJH-GHMZBOCLSA-N 2 2 248.392 0.351 20 0 BCADLP C[C@H]1C[N@H+](Cc2cnc(N(C)C)nc2)CC[C@@H]1[NH3+] ZINC000347003705 355200682 /nfs/dbraw/zinc/20/06/82/355200682.db2.gz LRDPTQROINLHLB-JQWIXIFHSA-N 2 2 249.362 0.712 20 0 BCADLP C[C@H]1C[N@@H+](Cc2cnc(N(C)C)nc2)CC[C@@H]1[NH3+] ZINC000347003705 355200684 /nfs/dbraw/zinc/20/06/84/355200684.db2.gz LRDPTQROINLHLB-JQWIXIFHSA-N 2 2 249.362 0.712 20 0 BCADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@H](O)C2)s1 ZINC000347608765 355233685 /nfs/dbraw/zinc/23/36/85/355233685.db2.gz JTKVYNCZTZYTFY-SECBINFHSA-N 2 2 241.360 0.771 20 0 BCADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@H](O)C2)s1 ZINC000347608765 355233686 /nfs/dbraw/zinc/23/36/86/355233686.db2.gz JTKVYNCZTZYTFY-SECBINFHSA-N 2 2 241.360 0.771 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113513153 355249142 /nfs/dbraw/zinc/24/91/42/355249142.db2.gz JMKAFWIIAGTBPQ-LLVKDONJSA-N 2 2 227.352 0.395 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113513153 355249145 /nfs/dbraw/zinc/24/91/45/355249145.db2.gz JMKAFWIIAGTBPQ-LLVKDONJSA-N 2 2 227.352 0.395 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC000113513284 355250166 /nfs/dbraw/zinc/25/01/66/355250166.db2.gz VOGRBVLAQUJGJP-GFCCVEGCSA-N 2 2 239.363 0.492 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000113513284 355250168 /nfs/dbraw/zinc/25/01/68/355250168.db2.gz VOGRBVLAQUJGJP-GFCCVEGCSA-N 2 2 239.363 0.492 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC000113514254 355251304 /nfs/dbraw/zinc/25/13/04/355251304.db2.gz NKURNFNFTJKGRO-LBPRGKRZSA-N 2 2 239.363 0.396 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000113514254 355251308 /nfs/dbraw/zinc/25/13/08/355251308.db2.gz NKURNFNFTJKGRO-LBPRGKRZSA-N 2 2 239.363 0.396 20 0 BCADLP Cc1c[nH+]c(C)nc1N1CC([NH+](C)C)C1 ZINC000583510654 355347172 /nfs/dbraw/zinc/34/71/72/355347172.db2.gz YNXDRAMNMNYHBG-UHFFFAOYSA-N 2 2 206.293 0.844 20 0 BCADLP Cc1cccc(N2CC[NH+](CCCO)CC2)[nH+]1 ZINC000166421914 355415621 /nfs/dbraw/zinc/41/56/21/355415621.db2.gz KUEPNIOMFOITNX-UHFFFAOYSA-N 2 2 235.331 0.894 20 0 BCADLP COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])o1 ZINC000415000486 191645658 /nfs/dbraw/zinc/64/56/58/191645658.db2.gz BEKMCIUHTSOHMQ-HTQZYQBOSA-N 2 2 226.276 0.892 20 0 BCADLP C[C@@H](CC[NH3+])NC(=O)c1ccc2[nH+]ccn2c1 ZINC000349987190 355570609 /nfs/dbraw/zinc/57/06/09/355570609.db2.gz KLFMJGUXOTWZJV-VIFPVBQESA-N 2 2 232.287 0.801 20 0 BCADLP Nc1nc(N)c(Cn2c[nH+]c3c2CCCC3)c[nH+]1 ZINC000639343405 355786658 /nfs/dbraw/zinc/78/66/58/355786658.db2.gz JKIDVMVZWYLWSW-UHFFFAOYSA-N 2 2 244.302 0.425 20 0 BCADLP Cn1ncnc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000639346259 355792604 /nfs/dbraw/zinc/79/26/04/355792604.db2.gz FXPPHHXXIBZYBK-LLVKDONJSA-N 2 2 237.351 0.637 20 0 BCADLP Cn1ncnc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000639346259 355792607 /nfs/dbraw/zinc/79/26/07/355792607.db2.gz FXPPHHXXIBZYBK-LLVKDONJSA-N 2 2 237.351 0.637 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+]CCC[C@@H]2CCO2)C1 ZINC000639356756 355811416 /nfs/dbraw/zinc/81/14/16/355811416.db2.gz GMNYIFCWPMNRDA-NWDGAFQWSA-N 2 2 228.336 0.212 20 0 BCADLP O[C@H]1CC[N@@H+](CC[NH2+]CCC[C@@H]2CCO2)C1 ZINC000639356756 355811421 /nfs/dbraw/zinc/81/14/21/355811421.db2.gz GMNYIFCWPMNRDA-NWDGAFQWSA-N 2 2 228.336 0.212 20 0 BCADLP COCCC[N@H+](C)CC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000166733825 355834303 /nfs/dbraw/zinc/83/43/03/355834303.db2.gz MZOAIBSBYQZSKP-OLZOCXBDSA-N 2 2 244.379 0.969 20 0 BCADLP COCCC[N@@H+](C)CC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000166733825 355834305 /nfs/dbraw/zinc/83/43/05/355834305.db2.gz MZOAIBSBYQZSKP-OLZOCXBDSA-N 2 2 244.379 0.969 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000226686201 491084741 /nfs/dbraw/zinc/08/47/41/491084741.db2.gz SJRDWOYUKJAOMQ-GMTAPVOTSA-N 2 2 212.337 0.830 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000226686201 491084743 /nfs/dbraw/zinc/08/47/43/491084743.db2.gz SJRDWOYUKJAOMQ-GMTAPVOTSA-N 2 2 212.337 0.830 20 0 BCADLP [NH3+]C[C@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000336031453 134058454 /nfs/dbraw/zinc/05/84/54/134058454.db2.gz JCALNLZFCOZWPC-RKDXNWHRSA-N 2 2 247.289 0.181 20 0 BCADLP C[C@H]1CC[NH2+][C@@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000167452114 356006952 /nfs/dbraw/zinc/00/69/52/356006952.db2.gz YNPYUWPZBAZBBJ-DTWKUNHWSA-N 2 2 222.292 0.414 20 0 BCADLP Cc1cn2c([nH+]1)CC[C@H](NC(=O)CCC[NH3+])C2 ZINC000167158775 355961719 /nfs/dbraw/zinc/96/17/19/355961719.db2.gz KBXUZWOVAHJDBC-JTQLQIEISA-N 2 2 236.319 0.361 20 0 BCADLP C[C@H]1CC[NH2+][C@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000167451908 356017417 /nfs/dbraw/zinc/01/74/17/356017417.db2.gz YNPYUWPZBAZBBJ-IUCAKERBSA-N 2 2 222.292 0.414 20 0 BCADLP NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266884172 181231904 /nfs/dbraw/zinc/23/19/04/181231904.db2.gz BBUHHDKGARGXKL-MRVPVSSYSA-N 2 2 208.265 0.074 20 0 BCADLP NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266884172 181231906 /nfs/dbraw/zinc/23/19/06/181231906.db2.gz BBUHHDKGARGXKL-MRVPVSSYSA-N 2 2 208.265 0.074 20 0 BCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623257767 356027320 /nfs/dbraw/zinc/02/73/20/356027320.db2.gz UMABBWWIWAPFMC-JTQLQIEISA-N 2 2 245.286 0.129 20 0 BCADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccnn1C ZINC000192250626 356078570 /nfs/dbraw/zinc/07/85/70/356078570.db2.gz KRKHQBRMLVFCHN-SNVBAGLBSA-N 2 2 219.292 0.967 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CCSC[C@H]2CO)n1C ZINC000639396395 356098093 /nfs/dbraw/zinc/09/80/93/356098093.db2.gz GAJCFFDLEIHDSI-LLVKDONJSA-N 2 2 241.360 0.638 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CCSC[C@H]2CO)n1C ZINC000639396395 356098095 /nfs/dbraw/zinc/09/80/95/356098095.db2.gz GAJCFFDLEIHDSI-LLVKDONJSA-N 2 2 241.360 0.638 20 0 BCADLP CC(C)[NH2+]C1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000335918976 356166420 /nfs/dbraw/zinc/16/64/20/356166420.db2.gz FJDOSUOYOKSZSL-LBPRGKRZSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@H]1C[NH2+]CCN1c1nc[nH+]c(N)c1Cl ZINC000420217043 192192908 /nfs/dbraw/zinc/19/29/08/192192908.db2.gz HTHVBYDPCIXSGX-LURJTMIESA-N 2 2 227.699 0.510 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000420282366 192200554 /nfs/dbraw/zinc/20/05/54/192200554.db2.gz BIPDUDONRMDOGP-NSHDSACASA-N 2 2 227.352 0.668 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000420282366 192200555 /nfs/dbraw/zinc/20/05/55/192200555.db2.gz BIPDUDONRMDOGP-NSHDSACASA-N 2 2 227.352 0.668 20 0 BCADLP C[C@H]1CC[N@H+](CCN2CCCC2=O)[C@@H](C[NH3+])C1 ZINC000420332377 192213918 /nfs/dbraw/zinc/21/39/18/192213918.db2.gz JGJBEDGRSXDQIS-NWDGAFQWSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@H]1CC[N@@H+](CCN2CCCC2=O)[C@@H](C[NH3+])C1 ZINC000420332377 192213921 /nfs/dbraw/zinc/21/39/21/192213921.db2.gz JGJBEDGRSXDQIS-NWDGAFQWSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@@H]1CC[N@H+](CCN2CCCC2=O)[C@@H](C[NH3+])C1 ZINC000420332379 192213971 /nfs/dbraw/zinc/21/39/71/192213971.db2.gz JGJBEDGRSXDQIS-VXGBXAGGSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@@H]1CC[N@@H+](CCN2CCCC2=O)[C@@H](C[NH3+])C1 ZINC000420332379 192213973 /nfs/dbraw/zinc/21/39/73/192213973.db2.gz JGJBEDGRSXDQIS-VXGBXAGGSA-N 2 2 239.363 0.668 20 0 BCADLP COC(=O)CC1(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000420333213 192214591 /nfs/dbraw/zinc/21/45/91/192214591.db2.gz FFBDNECJRIVKSL-MNOVXSKESA-N 2 2 238.331 0.623 20 0 BCADLP COC(=O)CC1(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000420333213 192214593 /nfs/dbraw/zinc/21/45/93/192214593.db2.gz FFBDNECJRIVKSL-MNOVXSKESA-N 2 2 238.331 0.623 20 0 BCADLP CCOC(=O)CC[N@@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420344716 192216068 /nfs/dbraw/zinc/21/60/68/192216068.db2.gz UJKSSCUGRXBJEX-GHMZBOCLSA-N 2 2 228.336 0.999 20 0 BCADLP CCOC(=O)CC[N@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420344716 192216070 /nfs/dbraw/zinc/21/60/70/192216070.db2.gz UJKSSCUGRXBJEX-GHMZBOCLSA-N 2 2 228.336 0.999 20 0 BCADLP CCCCNC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420353412 192217752 /nfs/dbraw/zinc/21/77/52/192217752.db2.gz ALIAWTAXIRDQMB-GMXVVIOVSA-N 2 2 241.379 0.879 20 0 BCADLP CC(C)NC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420354289 192218658 /nfs/dbraw/zinc/21/86/58/192218658.db2.gz BBGQZKSFFGYEOX-JBLDHEPKSA-N 2 2 227.352 0.487 20 0 BCADLP C[C@@H]1CO[C@H](CO)C[N@@H+]1CCc1c[nH+]cn1C ZINC000639519168 356363649 /nfs/dbraw/zinc/36/36/49/356363649.db2.gz OOMJGADTZCWRIZ-PWSUYJOCSA-N 2 2 239.319 0.044 20 0 BCADLP C[C@@H]1CO[C@H](CO)C[N@H+]1CCc1c[nH+]cn1C ZINC000639519168 356363654 /nfs/dbraw/zinc/36/36/54/356363654.db2.gz OOMJGADTZCWRIZ-PWSUYJOCSA-N 2 2 239.319 0.044 20 0 BCADLP CC(=O)N(C[C@H]1CCC[N@H+]1C[C@@H](C)[NH3+])C1CC1 ZINC000420366582 192226216 /nfs/dbraw/zinc/22/62/16/192226216.db2.gz GFACSBVQGAWRKC-ZWNOBZJWSA-N 2 2 239.363 0.809 20 0 BCADLP CC(=O)N(C[C@H]1CCC[N@@H+]1C[C@@H](C)[NH3+])C1CC1 ZINC000420366582 192226219 /nfs/dbraw/zinc/22/62/19/192226219.db2.gz GFACSBVQGAWRKC-ZWNOBZJWSA-N 2 2 239.363 0.809 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC000420367665 192226525 /nfs/dbraw/zinc/22/65/25/192226525.db2.gz NAOKCCTVRYKJFK-GWOFURMSSA-N 2 2 225.336 0.193 20 0 BCADLP COC(=O)CC[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420322656 192227061 /nfs/dbraw/zinc/22/70/61/192227061.db2.gz STMOXARJWHCZMP-SNVBAGLBSA-N 2 2 212.293 0.376 20 0 BCADLP COC(=O)CC[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420322656 192227064 /nfs/dbraw/zinc/22/70/64/192227064.db2.gz STMOXARJWHCZMP-SNVBAGLBSA-N 2 2 212.293 0.376 20 0 BCADLP CC(C)CNC(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420371468 192227301 /nfs/dbraw/zinc/22/73/01/192227301.db2.gz PMVQQKWMTYGFHB-DMDPSCGWSA-N 2 2 241.379 0.735 20 0 BCADLP Cc1nc(N2CCN(C[C@@H](C)[NH3+])CC2)cc[nH+]1 ZINC000420354866 192220237 /nfs/dbraw/zinc/22/02/37/192220237.db2.gz DSEQQAHDNHQFFV-SNVBAGLBSA-N 2 2 235.335 0.254 20 0 BCADLP CCCNC(=O)[C@H](C)[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420361724 192221439 /nfs/dbraw/zinc/22/14/39/192221439.db2.gz IHUNUCHZEJVVJR-WHOHXGKFSA-N 2 2 241.379 0.877 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420359984 192221648 /nfs/dbraw/zinc/22/16/48/192221648.db2.gz GNIMUCLFFHCXMZ-NTZNESFSSA-N 2 2 241.379 0.831 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCc1c[nH+]cn1C ZINC000420365737 192223376 /nfs/dbraw/zinc/22/33/76/192223376.db2.gz LKVGVMKXOHKIRU-CKYFFXLPSA-N 2 2 222.336 0.896 20 0 BCADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CCCN1CCOCC1 ZINC000420363942 192223950 /nfs/dbraw/zinc/22/39/50/192223950.db2.gz OLUVOQYSBKIVHT-LBPRGKRZSA-N 2 2 243.395 0.672 20 0 BCADLP CC(C)(C)[C@H](C[NH3+])NCCC[NH+]1CCOCC1 ZINC000420363942 192223956 /nfs/dbraw/zinc/22/39/56/192223956.db2.gz OLUVOQYSBKIVHT-LBPRGKRZSA-N 2 2 243.395 0.672 20 0 BCADLP CCC[C@]1(C)C(=O)NCC[N@H+]1CCC[NH2+]C ZINC000420367801 192224979 /nfs/dbraw/zinc/22/49/79/192224979.db2.gz WEJPSKHURCUZPG-GFCCVEGCSA-N 2 2 227.352 0.587 20 0 BCADLP CCC[C@]1(C)C(=O)NCC[N@@H+]1CCC[NH2+]C ZINC000420367801 192224980 /nfs/dbraw/zinc/22/49/80/192224980.db2.gz WEJPSKHURCUZPG-GFCCVEGCSA-N 2 2 227.352 0.587 20 0 BCADLP C[NH2+]CCCN(C)[C@H](C)C[NH+]1CCOCC1 ZINC000420380071 192234112 /nfs/dbraw/zinc/23/41/12/192234112.db2.gz BRUPWULHKJDVBU-GFCCVEGCSA-N 2 2 229.368 0.248 20 0 BCADLP CCC[C@@](C)([NH2+]CCOCC[NH3+])C(=O)OC ZINC000420382155 192235528 /nfs/dbraw/zinc/23/55/28/192235528.db2.gz YLXTZNMEVQKFRQ-LLVKDONJSA-N 2 2 232.324 0.283 20 0 BCADLP C[NH2+]CCC[N@H+](C)[C@H]1CCN(C(C)C)C1=O ZINC000420386788 192235670 /nfs/dbraw/zinc/23/56/70/192235670.db2.gz ITUNNTSHXOQQSC-NSHDSACASA-N 2 2 227.352 0.537 20 0 BCADLP C[NH2+]CCC[N@@H+](C)[C@H]1CCN(C(C)C)C1=O ZINC000420386788 192235671 /nfs/dbraw/zinc/23/56/71/192235671.db2.gz ITUNNTSHXOQQSC-NSHDSACASA-N 2 2 227.352 0.537 20 0 BCADLP C[NH2+]CCC[N@H+](C)[C@@H]1CCCN(C(C)C)C1=O ZINC000420393781 192236742 /nfs/dbraw/zinc/23/67/42/192236742.db2.gz YNYRAQBBKURTCE-GFCCVEGCSA-N 2 2 241.379 0.927 20 0 BCADLP C[NH2+]CCC[N@@H+](C)[C@@H]1CCCN(C(C)C)C1=O ZINC000420393781 192236744 /nfs/dbraw/zinc/23/67/44/192236744.db2.gz YNYRAQBBKURTCE-GFCCVEGCSA-N 2 2 241.379 0.927 20 0 BCADLP C[C@@H](c1nnnn1C)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420403849 192238732 /nfs/dbraw/zinc/23/87/32/192238732.db2.gz LIECITQDIWJFIS-KXUCPTDWSA-N 2 2 238.339 0.188 20 0 BCADLP C[C@@H](c1nnnn1C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420403849 192238735 /nfs/dbraw/zinc/23/87/35/192238735.db2.gz LIECITQDIWJFIS-KXUCPTDWSA-N 2 2 238.339 0.188 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000011960931 356421168 /nfs/dbraw/zinc/42/11/68/356421168.db2.gz RTXIEULUKOEMNA-NSHDSACASA-N 2 2 227.352 0.524 20 0 BCADLP CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CC[NH3+])C1 ZINC000420374147 192231628 /nfs/dbraw/zinc/23/16/28/192231628.db2.gz NJYCOCDJVKFGDT-LBPRGKRZSA-N 2 2 228.336 0.856 20 0 BCADLP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CC[NH3+])C1 ZINC000420374147 192231630 /nfs/dbraw/zinc/23/16/30/192231630.db2.gz NJYCOCDJVKFGDT-LBPRGKRZSA-N 2 2 228.336 0.856 20 0 BCADLP CCCNC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420373968 192232080 /nfs/dbraw/zinc/23/20/80/192232080.db2.gz RPNPQGFWIYRNAZ-CKYFFXLPSA-N 2 2 227.352 0.489 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC000420379141 192232651 /nfs/dbraw/zinc/23/26/51/192232651.db2.gz XLYZFTRSBOCGEB-BREBYQMCSA-N 2 2 239.363 0.583 20 0 BCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1CCc1c[nH+]cn1C ZINC000639559022 356464405 /nfs/dbraw/zinc/46/44/05/356464405.db2.gz NMGDEYGZRHNTSX-RYUDHWBXSA-N 2 2 236.363 0.987 20 0 BCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1CCc1c[nH+]cn1C ZINC000639559022 356464407 /nfs/dbraw/zinc/46/44/07/356464407.db2.gz NMGDEYGZRHNTSX-RYUDHWBXSA-N 2 2 236.363 0.987 20 0 BCADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@@H]1O ZINC000639558022 356463186 /nfs/dbraw/zinc/46/31/86/356463186.db2.gz WCEKJKLNRAPUTN-KOLCDFICSA-N 2 2 209.293 0.275 20 0 BCADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@@H]1O ZINC000639558022 356463189 /nfs/dbraw/zinc/46/31/89/356463189.db2.gz WCEKJKLNRAPUTN-KOLCDFICSA-N 2 2 209.293 0.275 20 0 BCADLP CC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000639551941 356438994 /nfs/dbraw/zinc/43/89/94/356438994.db2.gz VCMXWXHDMWDIOT-UHFFFAOYSA-N 2 2 227.352 0.145 20 0 BCADLP CC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000639569223 356491903 /nfs/dbraw/zinc/49/19/03/356491903.db2.gz UFQKGGAMCLSYFM-SNVBAGLBSA-N 2 2 207.277 0.798 20 0 BCADLP CC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000639569223 356491907 /nfs/dbraw/zinc/49/19/07/356491907.db2.gz UFQKGGAMCLSYFM-SNVBAGLBSA-N 2 2 207.277 0.798 20 0 BCADLP C[C@H]1C(=O)NCCC[N@H+]1CCc1c[nH+]cn1C ZINC000639605773 356527225 /nfs/dbraw/zinc/52/72/25/356527225.db2.gz CSQTXZDEIPGJFY-JTQLQIEISA-N 2 2 236.319 0.173 20 0 BCADLP C[C@H]1C(=O)NCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000639605773 356527227 /nfs/dbraw/zinc/52/72/27/356527227.db2.gz CSQTXZDEIPGJFY-JTQLQIEISA-N 2 2 236.319 0.173 20 0 BCADLP CC[C@]1(O)CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639597165 356515989 /nfs/dbraw/zinc/51/59/89/356515989.db2.gz BDURQHQZVFUFSP-LBPRGKRZSA-N 2 2 223.320 0.809 20 0 BCADLP CC[C@]1(O)CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639597165 356515993 /nfs/dbraw/zinc/51/59/93/356515993.db2.gz BDURQHQZVFUFSP-LBPRGKRZSA-N 2 2 223.320 0.809 20 0 BCADLP c1nc2n(n1)[C@@H](C[N@@H+]1CCn3c[nH+]cc3C1)CC2 ZINC000639648452 356555244 /nfs/dbraw/zinc/55/52/44/356555244.db2.gz HMXVVFGRGUSKDL-SNVBAGLBSA-N 2 2 244.302 0.478 20 0 BCADLP c1nc2n(n1)[C@@H](C[N@H+]1CCn3c[nH+]cc3C1)CC2 ZINC000639648452 356555248 /nfs/dbraw/zinc/55/52/48/356555248.db2.gz HMXVVFGRGUSKDL-SNVBAGLBSA-N 2 2 244.302 0.478 20 0 BCADLP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(C)=O)CC1 ZINC000639667231 356574846 /nfs/dbraw/zinc/57/48/46/356574846.db2.gz DCMFQYFNXHDBRT-UHFFFAOYSA-N 2 2 241.379 0.581 20 0 BCADLP Cc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c(=O)n1C ZINC000336215205 134136345 /nfs/dbraw/zinc/13/63/45/134136345.db2.gz GCDVVVNERSQFKR-MFKMUULPSA-N 2 2 249.358 0.733 20 0 BCADLP Cc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c(=O)n1C ZINC000336215205 134136346 /nfs/dbraw/zinc/13/63/46/134136346.db2.gz GCDVVVNERSQFKR-MFKMUULPSA-N 2 2 249.358 0.733 20 0 BCADLP C1CC1[C@H]([NH2+]C1CCC1)[C@@H]1C[NH2+]CCO1 ZINC000422960188 192526449 /nfs/dbraw/zinc/52/64/49/192526449.db2.gz VONKFBDJYSHJFJ-RYUDHWBXSA-N 2 2 210.321 0.896 20 0 BCADLP CC(C)(C)[C@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000389415183 356648895 /nfs/dbraw/zinc/64/88/95/356648895.db2.gz UEKZAFBAQVLNMY-SNVBAGLBSA-N 2 2 211.309 0.880 20 0 BCADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)OC)CC[C@@H]1[NH3+] ZINC000122734996 363537012 /nfs/dbraw/zinc/53/70/12/363537012.db2.gz MZGHQOFADHJFOO-AEJSXWLSSA-N 2 2 214.309 0.607 20 0 BCADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)OC)CC[C@@H]1[NH3+] ZINC000122734996 363537015 /nfs/dbraw/zinc/53/70/15/363537015.db2.gz MZGHQOFADHJFOO-AEJSXWLSSA-N 2 2 214.309 0.607 20 0 BCADLP Cc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)on1 ZINC000088287960 356655345 /nfs/dbraw/zinc/65/53/45/356655345.db2.gz CSFJJZQOGZVDEE-UWVGGRQHSA-N 2 2 207.277 0.634 20 0 BCADLP C[NH+](C)C[C@@]1(O)CCCN(Cc2c[nH+]c[nH]2)C1 ZINC000639760851 356676098 /nfs/dbraw/zinc/67/60/98/356676098.db2.gz BKKFNCFZVKDHKQ-LBPRGKRZSA-N 2 2 238.335 0.298 20 0 BCADLP C[NH+](C)C[C@@]1(O)CCCN(Cc2c[nH]c[nH+]2)C1 ZINC000639760851 356676103 /nfs/dbraw/zinc/67/61/03/356676103.db2.gz BKKFNCFZVKDHKQ-LBPRGKRZSA-N 2 2 238.335 0.298 20 0 BCADLP CC[C@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)OC ZINC000423144598 192586306 /nfs/dbraw/zinc/58/63/06/192586306.db2.gz ZCRGVZHWLLRDTJ-UPJWGTAASA-N 2 2 242.363 0.768 20 0 BCADLP COC(=O)[C@@H](C1CC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000390469993 356716331 /nfs/dbraw/zinc/71/63/31/356716331.db2.gz IYMAOHMTHQRIFX-OUAUKWLOSA-N 2 2 224.304 0.089 20 0 BCADLP COC(=O)[C@@H](C1CC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000390469993 356716336 /nfs/dbraw/zinc/71/63/36/356716336.db2.gz IYMAOHMTHQRIFX-OUAUKWLOSA-N 2 2 224.304 0.089 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C[C@H](C)O1 ZINC000623759451 356871914 /nfs/dbraw/zinc/87/19/14/356871914.db2.gz MSCCSYOYJUICKP-YVECIDJPSA-N 2 2 242.363 0.599 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C[C@H](C)O1 ZINC000623759451 356871915 /nfs/dbraw/zinc/87/19/15/356871915.db2.gz MSCCSYOYJUICKP-YVECIDJPSA-N 2 2 242.363 0.599 20 0 BCADLP CC[C@H]1C[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CCO1 ZINC000623759635 356877925 /nfs/dbraw/zinc/87/79/25/356877925.db2.gz UJEUSZPSEMUVSU-XQQFMLRXSA-N 2 2 242.363 0.600 20 0 BCADLP CC[C@H]1C[C@@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)CCO1 ZINC000623759635 356877928 /nfs/dbraw/zinc/87/79/28/356877928.db2.gz UJEUSZPSEMUVSU-XQQFMLRXSA-N 2 2 242.363 0.600 20 0 BCADLP CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000423173266 192608585 /nfs/dbraw/zinc/60/85/85/192608585.db2.gz XTBHJPYIXZODMC-RVMXOQNASA-N 2 2 242.363 0.911 20 0 BCADLP CC[NH+]1CCC([NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000358252848 356864940 /nfs/dbraw/zinc/86/49/40/356864940.db2.gz OAJPWQCCFJKRGX-CYBMUJFWSA-N 3 2 241.379 0.127 20 0 BCADLP CC[NH+]1CCC([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358252848 356864943 /nfs/dbraw/zinc/86/49/43/356864943.db2.gz OAJPWQCCFJKRGX-CYBMUJFWSA-N 3 2 241.379 0.127 20 0 BCADLP C[N@H+](CCC[NH3+])CC(=O)NCc1ccccc1 ZINC000020475767 357009529 /nfs/dbraw/zinc/00/95/29/357009529.db2.gz QTYHGMYJCNTIHW-UHFFFAOYSA-N 2 2 235.331 0.583 20 0 BCADLP C[N@@H+](CCC[NH3+])CC(=O)NCc1ccccc1 ZINC000020475767 357009530 /nfs/dbraw/zinc/00/95/30/357009530.db2.gz QTYHGMYJCNTIHW-UHFFFAOYSA-N 2 2 235.331 0.583 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000389945573 357072691 /nfs/dbraw/zinc/07/26/91/357072691.db2.gz QMTNWGNVYQRVOM-NXEZZACHSA-N 2 2 213.325 0.182 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000389945573 357072692 /nfs/dbraw/zinc/07/26/92/357072692.db2.gz QMTNWGNVYQRVOM-NXEZZACHSA-N 2 2 213.325 0.182 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H]1C1CC1 ZINC000582431066 357147240 /nfs/dbraw/zinc/14/72/40/357147240.db2.gz RDRUFBLOLQPGFY-OLZOCXBDSA-N 2 2 242.363 0.410 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H]1C1CC1 ZINC000582431066 357147245 /nfs/dbraw/zinc/14/72/45/357147245.db2.gz RDRUFBLOLQPGFY-OLZOCXBDSA-N 2 2 242.363 0.410 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H]1C1CC1 ZINC000582431066 357147252 /nfs/dbraw/zinc/14/72/52/357147252.db2.gz RDRUFBLOLQPGFY-OLZOCXBDSA-N 2 2 242.363 0.410 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H]1C1CC1 ZINC000582431066 357147256 /nfs/dbraw/zinc/14/72/56/357147256.db2.gz RDRUFBLOLQPGFY-OLZOCXBDSA-N 2 2 242.363 0.410 20 0 BCADLP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)n[nH]1 ZINC000392383410 357151103 /nfs/dbraw/zinc/15/11/03/357151103.db2.gz HCUPISVDBBGHCA-GXSJLCMTSA-N 2 2 237.351 0.585 20 0 BCADLP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)n[nH]1 ZINC000392383410 357151105 /nfs/dbraw/zinc/15/11/05/357151105.db2.gz HCUPISVDBBGHCA-GXSJLCMTSA-N 2 2 237.351 0.585 20 0 BCADLP Cc1nnc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)[nH]1 ZINC000392383410 357151106 /nfs/dbraw/zinc/15/11/06/357151106.db2.gz HCUPISVDBBGHCA-GXSJLCMTSA-N 2 2 237.351 0.585 20 0 BCADLP Cc1nnc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)[nH]1 ZINC000392383410 357151107 /nfs/dbraw/zinc/15/11/07/357151107.db2.gz HCUPISVDBBGHCA-GXSJLCMTSA-N 2 2 237.351 0.585 20 0 BCADLP CC[NH2+]CC[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000423252220 192652957 /nfs/dbraw/zinc/65/29/57/192652957.db2.gz XNXWGTAKMBMXPM-GHMZBOCLSA-N 2 2 248.392 0.541 20 0 BCADLP C[NH2+]Cc1noc([C@H](C[NH3+])c2ccccc2)n1 ZINC000582725377 357372440 /nfs/dbraw/zinc/37/24/40/357372440.db2.gz UJUBLFQDUUSZJR-SNVBAGLBSA-N 2 2 232.287 0.880 20 0 BCADLP Cc1[nH]c(CNC[C@]2(O)CC[N@@H+](C)C2)[nH+]c1C ZINC000582617870 357354354 /nfs/dbraw/zinc/35/43/54/357354354.db2.gz RGBCMGQNDSGDEW-GFCCVEGCSA-N 2 2 238.335 0.183 20 0 BCADLP Cc1[nH]c(CNC[C@]2(O)CC[N@H+](C)C2)[nH+]c1C ZINC000582617870 357354361 /nfs/dbraw/zinc/35/43/61/357354361.db2.gz RGBCMGQNDSGDEW-GFCCVEGCSA-N 2 2 238.335 0.183 20 0 BCADLP COC[C@H](O)CC[NH2+]Cc1c[nH+]c(C)n1C ZINC000582676975 357357874 /nfs/dbraw/zinc/35/78/74/357357874.db2.gz JMFQAFWWWIVBQR-LLVKDONJSA-N 2 2 227.308 0.216 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H](C)C(=O)N(C)C)n1C ZINC000582797578 357398400 /nfs/dbraw/zinc/39/84/00/357398400.db2.gz SXIHCZDFPXBZGE-MRVPVSSYSA-N 2 2 224.308 0.295 20 0 BCADLP Cn1ncnc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000582847862 357418045 /nfs/dbraw/zinc/41/80/45/357418045.db2.gz AOLJRXSCKCCKKV-VXGBXAGGSA-N 2 2 249.362 0.779 20 0 BCADLP Cn1ncnc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000582847862 357418052 /nfs/dbraw/zinc/41/80/52/357418052.db2.gz AOLJRXSCKCCKKV-VXGBXAGGSA-N 2 2 249.362 0.779 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1COC(C)(C)C1 ZINC000396472575 357481280 /nfs/dbraw/zinc/48/12/80/357481280.db2.gz PNMNWUDKZZDPSV-NXEZZACHSA-N 2 2 216.325 0.066 20 0 BCADLP CCC[NH2+][C@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000583142436 357493064 /nfs/dbraw/zinc/49/30/64/357493064.db2.gz WHTVUVZHIGSYQD-MRVPVSSYSA-N 2 2 210.281 0.414 20 0 BCADLP Cc1cc(NCCOCC[NH+](C)C)nc[nH+]1 ZINC000231208204 357599775 /nfs/dbraw/zinc/59/97/75/357599775.db2.gz CAVRYIOWYQCPDH-UHFFFAOYSA-N 2 2 224.308 0.775 20 0 BCADLP COC[C@@H](CCC[NH3+])[NH2+]CC[NH+]1CCCCC1 ZINC000234717996 357819422 /nfs/dbraw/zinc/81/94/22/357819422.db2.gz AWCRQHVSGUKFDQ-CYBMUJFWSA-N 3 2 243.395 0.816 20 0 BCADLP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000086109472 357853450 /nfs/dbraw/zinc/85/34/50/357853450.db2.gz ZJQRFKIAHOZYNY-LLVKDONJSA-N 2 2 222.336 0.879 20 0 BCADLP COCCC[N@H+](C)CC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000192603220 357846204 /nfs/dbraw/zinc/84/62/04/357846204.db2.gz HAWHVUVASOZZGF-QWHCGFSZSA-N 2 2 244.379 0.969 20 0 BCADLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000192603220 357846209 /nfs/dbraw/zinc/84/62/09/357846209.db2.gz HAWHVUVASOZZGF-QWHCGFSZSA-N 2 2 244.379 0.969 20 0 BCADLP C[C@H]1CN(Cc2c[nH+]cn2C)C[C@H](C)[NH2+]1 ZINC000085170845 134224488 /nfs/dbraw/zinc/22/44/88/134224488.db2.gz VFSXGEIPACPVEE-UWVGGRQHSA-N 2 2 208.309 0.602 20 0 BCADLP CCCN(Cc1c[nH+]cn1C)[C@H]1CC[NH2+]C1 ZINC000085170821 134224566 /nfs/dbraw/zinc/22/45/66/134224566.db2.gz DBQAYISVCSDTRS-NSHDSACASA-N 2 2 222.336 0.994 20 0 BCADLP CCn1cncc1C[NH2+]CCC[NH+](C)C ZINC000085183005 134224879 /nfs/dbraw/zinc/22/48/79/134224879.db2.gz IVHVSEFXXWQZAF-UHFFFAOYSA-N 2 2 210.325 0.944 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]([NH3+])C1CCC1 ZINC000399178942 357897606 /nfs/dbraw/zinc/89/76/06/357897606.db2.gz KWJLSBGCXWXDNJ-MWLCHTKSSA-N 2 2 236.319 0.515 20 0 BCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000583810916 357955629 /nfs/dbraw/zinc/95/56/29/357955629.db2.gz PVMPLCOMERZTBY-ZJUUUORDSA-N 2 2 239.323 0.308 20 0 BCADLP COC[C@](C)(CO)[NH2+]CCc1cc[nH+]cc1C ZINC000639958250 357982785 /nfs/dbraw/zinc/98/27/85/357982785.db2.gz PWNALPQNQFNDPQ-ZDUSSCGKSA-N 2 2 238.331 0.920 20 0 BCADLP CO[C@H]1C[N@H+](CCn2cc[nH+]c2)[C@@](C)(CO)C1 ZINC000639997789 358034603 /nfs/dbraw/zinc/03/46/03/358034603.db2.gz BUUREVUSDVOJEF-VXGBXAGGSA-N 2 2 239.319 0.355 20 0 BCADLP CO[C@H]1C[N@@H+](CCn2cc[nH+]c2)[C@@](C)(CO)C1 ZINC000639997789 358034609 /nfs/dbraw/zinc/03/46/09/358034609.db2.gz BUUREVUSDVOJEF-VXGBXAGGSA-N 2 2 239.319 0.355 20 0 BCADLP CC[C@@H]([NH3+])C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000036999450 358063784 /nfs/dbraw/zinc/06/37/84/358063784.db2.gz CEUWCCDKYXCEHR-RKDXNWHRSA-N 2 2 210.281 0.125 20 0 BCADLP C[C@@H]([NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000169809073 134251832 /nfs/dbraw/zinc/25/18/32/134251832.db2.gz HGPFPQFQUCLDOE-RKDXNWHRSA-N 2 2 222.292 0.463 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)OC)C1 ZINC000221301799 358082355 /nfs/dbraw/zinc/08/23/55/358082355.db2.gz MVPKXTDAEKYNPT-IUCAKERBSA-N 2 2 200.282 0.089 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)OC)C1 ZINC000221301799 358082356 /nfs/dbraw/zinc/08/23/56/358082356.db2.gz MVPKXTDAEKYNPT-IUCAKERBSA-N 2 2 200.282 0.089 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CC[NH2+]C1CC1 ZINC000037612438 358084121 /nfs/dbraw/zinc/08/41/21/358084121.db2.gz NQMYFSMWIDISMK-SNVBAGLBSA-N 2 2 236.319 0.530 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000221581847 358095351 /nfs/dbraw/zinc/09/53/51/358095351.db2.gz GHDSBPXNNUATRO-GMTAPVOTSA-N 2 2 236.319 0.386 20 0 BCADLP C[N@@H+]1CCC[C@H]1C[NH2+]CC1(O)CCCC1 ZINC000226056088 358333206 /nfs/dbraw/zinc/33/32/06/358333206.db2.gz RYPYKVJRYBNVLN-NSHDSACASA-N 2 2 212.337 0.975 20 0 BCADLP C[N@H+]1CCC[C@H]1C[NH2+]CC1(O)CCCC1 ZINC000226056088 358333207 /nfs/dbraw/zinc/33/32/07/358333207.db2.gz RYPYKVJRYBNVLN-NSHDSACASA-N 2 2 212.337 0.975 20 0 BCADLP C[N@@H+]1CCN(Cc2cccc(O)c2)[C@@H](C[NH3+])C1 ZINC000226611773 358341844 /nfs/dbraw/zinc/34/18/44/358341844.db2.gz SHACFEZFILOMQB-LBPRGKRZSA-N 2 2 235.331 0.467 20 0 BCADLP C[N@H+]1CCN(Cc2cccc(O)c2)[C@@H](C[NH3+])C1 ZINC000226611773 358341846 /nfs/dbraw/zinc/34/18/46/358341846.db2.gz SHACFEZFILOMQB-LBPRGKRZSA-N 2 2 235.331 0.467 20 0 BCADLP COC(=O)c1ccc(C[N@H+](C)CCC[NH3+])o1 ZINC000227748433 358362753 /nfs/dbraw/zinc/36/27/53/358362753.db2.gz NDIKFHQFFOIWDR-UHFFFAOYSA-N 2 2 226.276 0.847 20 0 BCADLP COC(=O)c1ccc(C[N@@H+](C)CCC[NH3+])o1 ZINC000227748433 358362756 /nfs/dbraw/zinc/36/27/56/358362756.db2.gz NDIKFHQFFOIWDR-UHFFFAOYSA-N 2 2 226.276 0.847 20 0 BCADLP CC(C)(C[NH3+])C(=O)NCCCCn1cc[nH+]c1 ZINC000045107996 358401069 /nfs/dbraw/zinc/40/10/69/358401069.db2.gz LEJFVOAMLGASFA-UHFFFAOYSA-N 2 2 238.335 0.764 20 0 BCADLP C[C@H]1[NH2+]CCN(CC[NH+]2CCOCC2)[C@H]1C ZINC000379501751 358515121 /nfs/dbraw/zinc/51/51/21/358515121.db2.gz WRMRVYRLCFRKGU-NEPJUHHUSA-N 2 2 227.352 0.001 20 0 BCADLP CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000042556388 358526898 /nfs/dbraw/zinc/52/68/98/358526898.db2.gz HRMHGYSZZWIPIK-VXGBXAGGSA-N 2 2 241.379 0.785 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261557147 535434194 /nfs/dbraw/zinc/43/41/94/535434194.db2.gz RIBPVMYAXAUXIV-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261557147 535434197 /nfs/dbraw/zinc/43/41/97/535434197.db2.gz RIBPVMYAXAUXIV-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP CCOC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000133451598 358755537 /nfs/dbraw/zinc/75/55/37/358755537.db2.gz MEEJOZSAYKENNF-NWDGAFQWSA-N 2 2 229.368 0.247 20 0 BCADLP CC(C)=CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051762934 358761359 /nfs/dbraw/zinc/76/13/59/358761359.db2.gz MOSIKALQOFOJIP-UHFFFAOYSA-N 2 2 239.363 0.658 20 0 BCADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)NC2CC2)CC1 ZINC000134851401 358808739 /nfs/dbraw/zinc/80/87/39/358808739.db2.gz MLKJSSHWJRNZHE-JTQLQIEISA-N 2 2 239.363 0.727 20 0 BCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2CC2)CC1 ZINC000177148440 134295925 /nfs/dbraw/zinc/29/59/25/134295925.db2.gz HMAQTQCQVVNYKN-UHFFFAOYSA-N 2 2 239.363 0.539 20 0 BCADLP Cc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cn1 ZINC000058000216 358909300 /nfs/dbraw/zinc/90/93/00/358909300.db2.gz SCVLHYWJRRHHLT-CQSZACIVSA-N 2 2 249.358 0.936 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]C2CCOCC2)n1C ZINC000070143048 359042765 /nfs/dbraw/zinc/04/27/65/359042765.db2.gz IHOQCAXXGLHPDW-UHFFFAOYSA-N 2 2 238.335 0.755 20 0 BCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246421307 359079437 /nfs/dbraw/zinc/07/94/37/359079437.db2.gz SZZKHKNYSKHJFB-NEPJUHHUSA-N 2 2 241.379 0.785 20 0 BCADLP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246421307 359079439 /nfs/dbraw/zinc/07/94/39/359079439.db2.gz SZZKHKNYSKHJFB-NEPJUHHUSA-N 2 2 241.379 0.785 20 0 BCADLP C[N@H+](CC[NH3+])C[C@@H](O)COCc1ccccc1 ZINC000070380433 359052547 /nfs/dbraw/zinc/05/25/47/359052547.db2.gz DDVKTDKXQWUEFD-CYBMUJFWSA-N 2 2 238.331 0.455 20 0 BCADLP C[N@@H+](CC[NH3+])C[C@@H](O)COCc1ccccc1 ZINC000070380433 359052550 /nfs/dbraw/zinc/05/25/50/359052550.db2.gz DDVKTDKXQWUEFD-CYBMUJFWSA-N 2 2 238.331 0.455 20 0 BCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1[nH+]ccn1C ZINC000070854866 359064732 /nfs/dbraw/zinc/06/47/32/359064732.db2.gz NBMIYEAWKCJFRS-WCBMZHEXSA-N 2 2 224.308 0.410 20 0 BCADLP Nc1cc(CN2CC[N@@H+]3CCC[C@H]3C2)cc[nH+]1 ZINC000246598582 359149950 /nfs/dbraw/zinc/14/99/50/359149950.db2.gz VPQMOBMMORXGDO-LBPRGKRZSA-N 2 2 232.331 0.944 20 0 BCADLP Nc1cc(CN2CC[N@H+]3CCC[C@H]3C2)cc[nH+]1 ZINC000246598582 359149954 /nfs/dbraw/zinc/14/99/54/359149954.db2.gz VPQMOBMMORXGDO-LBPRGKRZSA-N 2 2 232.331 0.944 20 0 BCADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CS(C)(=O)=O)C1 ZINC000246677689 359157032 /nfs/dbraw/zinc/15/70/32/359157032.db2.gz NBPWBTXKQUXEHV-GHMZBOCLSA-N 2 2 248.392 0.351 20 0 BCADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CS(C)(=O)=O)C1 ZINC000246677689 359157036 /nfs/dbraw/zinc/15/70/36/359157036.db2.gz NBPWBTXKQUXEHV-GHMZBOCLSA-N 2 2 248.392 0.351 20 0 BCADLP NC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075836231 359227065 /nfs/dbraw/zinc/22/70/65/359227065.db2.gz WYDYGCLVOPCMOI-NSHDSACASA-N 2 2 225.336 0.280 20 0 BCADLP NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075836231 359227068 /nfs/dbraw/zinc/22/70/68/359227068.db2.gz WYDYGCLVOPCMOI-NSHDSACASA-N 2 2 225.336 0.280 20 0 BCADLP C[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1n1cc[nH+]c1 ZINC000247772128 359244080 /nfs/dbraw/zinc/24/40/80/359244080.db2.gz WGUSFLQHBPFJFX-NXEZZACHSA-N 2 2 222.292 0.251 20 0 BCADLP C[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1n1cc[nH+]c1 ZINC000247772128 359244087 /nfs/dbraw/zinc/24/40/87/359244087.db2.gz WGUSFLQHBPFJFX-NXEZZACHSA-N 2 2 222.292 0.251 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247998251 359251685 /nfs/dbraw/zinc/25/16/85/359251685.db2.gz KCINCTNLYNWAIV-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247998251 359251689 /nfs/dbraw/zinc/25/16/89/359251689.db2.gz KCINCTNLYNWAIV-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP CCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247998251 359251693 /nfs/dbraw/zinc/25/16/93/359251693.db2.gz KCINCTNLYNWAIV-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP CCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247998251 359251700 /nfs/dbraw/zinc/25/17/00/359251700.db2.gz KCINCTNLYNWAIV-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248043618 359252729 /nfs/dbraw/zinc/25/27/29/359252729.db2.gz ULDMNNWKLXQXPJ-SRVKXCTJSA-N 2 2 240.347 0.964 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248043618 359252732 /nfs/dbraw/zinc/25/27/32/359252732.db2.gz ULDMNNWKLXQXPJ-SRVKXCTJSA-N 2 2 240.347 0.964 20 0 BCADLP COC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248043618 359252735 /nfs/dbraw/zinc/25/27/35/359252735.db2.gz ULDMNNWKLXQXPJ-SRVKXCTJSA-N 2 2 240.347 0.964 20 0 BCADLP COC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248043618 359252739 /nfs/dbraw/zinc/25/27/39/359252739.db2.gz ULDMNNWKLXQXPJ-SRVKXCTJSA-N 2 2 240.347 0.964 20 0 BCADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCO ZINC000248050779 359253785 /nfs/dbraw/zinc/25/37/85/359253785.db2.gz WELMHFFXLNLUSQ-TZMCWYRMSA-N 2 2 249.358 0.874 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCO ZINC000248050779 359253788 /nfs/dbraw/zinc/25/37/88/359253788.db2.gz WELMHFFXLNLUSQ-TZMCWYRMSA-N 2 2 249.358 0.874 20 0 BCADLP CC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000075768342 359209745 /nfs/dbraw/zinc/20/97/45/359209745.db2.gz QOSYQTNFFYPIKE-CHWSQXEVSA-N 2 2 242.363 0.411 20 0 BCADLP CC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000075768342 359209754 /nfs/dbraw/zinc/20/97/54/359209754.db2.gz QOSYQTNFFYPIKE-CHWSQXEVSA-N 2 2 242.363 0.411 20 0 BCADLP CC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000075768343 359209944 /nfs/dbraw/zinc/20/99/44/359209944.db2.gz QOSYQTNFFYPIKE-QWHCGFSZSA-N 2 2 242.363 0.411 20 0 BCADLP CC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000075768343 359209950 /nfs/dbraw/zinc/20/99/50/359209950.db2.gz QOSYQTNFFYPIKE-QWHCGFSZSA-N 2 2 242.363 0.411 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC000247382999 359216770 /nfs/dbraw/zinc/21/67/70/359216770.db2.gz UPCMJINMZYJHII-VXGBXAGGSA-N 2 2 241.379 0.737 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC000247382999 359216772 /nfs/dbraw/zinc/21/67/72/359216772.db2.gz UPCMJINMZYJHII-VXGBXAGGSA-N 2 2 241.379 0.737 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC000247382999 359216773 /nfs/dbraw/zinc/21/67/73/359216773.db2.gz UPCMJINMZYJHII-VXGBXAGGSA-N 2 2 241.379 0.737 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC000247382999 359216776 /nfs/dbraw/zinc/21/67/76/359216776.db2.gz UPCMJINMZYJHII-VXGBXAGGSA-N 2 2 241.379 0.737 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000574989767 359526510 /nfs/dbraw/zinc/52/65/10/359526510.db2.gz HXBSWIAZYLSFCY-UHFFFAOYSA-N 2 2 239.363 0.540 20 0 BCADLP C[NH2+]CCC[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000574989767 359526512 /nfs/dbraw/zinc/52/65/12/359526512.db2.gz HXBSWIAZYLSFCY-UHFFFAOYSA-N 2 2 239.363 0.540 20 0 BCADLP OC1(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000580423827 359538931 /nfs/dbraw/zinc/53/89/31/359538931.db2.gz AYPMWFCQQAGUCZ-SNVBAGLBSA-N 2 2 221.304 0.703 20 0 BCADLP COC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404333168 359578374 /nfs/dbraw/zinc/57/83/74/359578374.db2.gz ZWFLPRLQCZHXPP-VHSXEESVSA-N 2 2 214.309 0.609 20 0 BCADLP COC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404333168 359578377 /nfs/dbraw/zinc/57/83/77/359578377.db2.gz ZWFLPRLQCZHXPP-VHSXEESVSA-N 2 2 214.309 0.609 20 0 BCADLP Cc1nc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc[nH+]1 ZINC000450777527 202264548 /nfs/dbraw/zinc/26/45/48/202264548.db2.gz JYVQKERRDQAJCN-MNOVXSKESA-N 2 2 218.304 0.925 20 0 BCADLP Cc1nc(N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc[nH+]1 ZINC000450777527 202264552 /nfs/dbraw/zinc/26/45/52/202264552.db2.gz JYVQKERRDQAJCN-MNOVXSKESA-N 2 2 218.304 0.925 20 0 BCADLP C[N@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000578409612 366558466 /nfs/dbraw/zinc/55/84/66/366558466.db2.gz HFGXENREWIOYHJ-NSHDSACASA-N 2 2 236.319 0.341 20 0 BCADLP Cc1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)ccn1 ZINC000623470851 359826298 /nfs/dbraw/zinc/82/62/98/359826298.db2.gz FSLJMSJSTMZLEN-CYBMUJFWSA-N 2 2 237.347 0.792 20 0 BCADLP CC[NH+](CC)CCC[N@H+](C)C(C)(C)C(N)=O ZINC000451133888 202362126 /nfs/dbraw/zinc/36/21/26/202362126.db2.gz FBXJJKABHJIBHW-UHFFFAOYSA-N 2 2 229.368 0.914 20 0 BCADLP CC[NH+](CC)CCC[N@@H+](C)C(C)(C)C(N)=O ZINC000451133888 202362128 /nfs/dbraw/zinc/36/21/28/202362128.db2.gz FBXJJKABHJIBHW-UHFFFAOYSA-N 2 2 229.368 0.914 20 0 BCADLP CC[NH+](CC)CCC[N@@H+]1CCOC[C@H](O)C1 ZINC000451235966 202382906 /nfs/dbraw/zinc/38/29/06/202382906.db2.gz QNVIKLCAEZHKNR-GFCCVEGCSA-N 2 2 230.352 0.411 20 0 BCADLP CC[NH+](CC)CCC[N@H+]1CCOC[C@H](O)C1 ZINC000451235966 202382911 /nfs/dbraw/zinc/38/29/11/202382911.db2.gz QNVIKLCAEZHKNR-GFCCVEGCSA-N 2 2 230.352 0.411 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(O)(CC)CC1 ZINC000578545173 366595668 /nfs/dbraw/zinc/59/56/68/366595668.db2.gz HTYZBVULZVLCGK-LBPRGKRZSA-N 2 2 244.379 0.536 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(O)(CC)CC1 ZINC000578545173 366595673 /nfs/dbraw/zinc/59/56/73/366595673.db2.gz HTYZBVULZVLCGK-LBPRGKRZSA-N 2 2 244.379 0.536 20 0 BCADLP C[C@H]1CN(c2nc[nH+]c(N)c2Cl)CC[C@H]1[NH3+] ZINC000578610671 366607285 /nfs/dbraw/zinc/60/72/85/366607285.db2.gz RMCFKVMLTZQQPI-NKWVEPMBSA-N 2 2 241.726 0.886 20 0 BCADLP C[C@H]1CN(c2[nH+]cnc(N)c2Cl)CC[C@H]1[NH3+] ZINC000578610671 366607288 /nfs/dbraw/zinc/60/72/88/366607288.db2.gz RMCFKVMLTZQQPI-NKWVEPMBSA-N 2 2 241.726 0.886 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000578617011 366608641 /nfs/dbraw/zinc/60/86/41/366608641.db2.gz HYOOUIUCQDUYOS-JHJVBQTASA-N 3 2 225.380 0.916 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000578617011 366608643 /nfs/dbraw/zinc/60/86/43/366608643.db2.gz HYOOUIUCQDUYOS-JHJVBQTASA-N 3 2 225.380 0.916 20 0 BCADLP CCNC(=O)C[N@H+](CC)CC[C@@H]1CCC[NH+]1C ZINC000089424505 360019271 /nfs/dbraw/zinc/01/92/71/360019271.db2.gz GAFYFYJSNCJDBK-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP CCNC(=O)C[N@@H+](CC)CC[C@@H]1CCC[NH+]1C ZINC000089424505 360019277 /nfs/dbraw/zinc/01/92/77/360019277.db2.gz GAFYFYJSNCJDBK-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP CCNC(=O)C[NH+](CC)CC[C@@H]1CCC[N@@H+]1C ZINC000089424505 360019283 /nfs/dbraw/zinc/01/92/83/360019283.db2.gz GAFYFYJSNCJDBK-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP CCNC(=O)C[NH+](CC)CC[C@@H]1CCC[N@H+]1C ZINC000089424505 360019286 /nfs/dbraw/zinc/01/92/86/360019286.db2.gz GAFYFYJSNCJDBK-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP Cn1c[nH+]cc1CC(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000614038683 363713883 /nfs/dbraw/zinc/71/38/83/363713883.db2.gz XXWKDTIDUSFKQH-UHFFFAOYSA-N 2 2 248.330 0.127 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000094648313 360313905 /nfs/dbraw/zinc/31/39/05/360313905.db2.gz FHSCLDTVUAVWLE-WDEREUQCSA-N 2 2 248.330 0.613 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)nnn2C ZINC000629408004 361056677 /nfs/dbraw/zinc/05/66/77/361056677.db2.gz OEJKHOVBSFBZNX-GXSJLCMTSA-N 2 2 245.330 0.808 20 0 BCADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cnc(N(C)C)nc2)C[NH2+]1 ZINC000629395442 361043643 /nfs/dbraw/zinc/04/36/43/361043643.db2.gz CWQCSNJDGKVETQ-ZYHUDNBSSA-N 2 2 249.362 0.773 20 0 BCADLP Cc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+][C@H]2C)n1 ZINC000629407818 361057143 /nfs/dbraw/zinc/05/71/43/361057143.db2.gz LLAXBXYHBGTZLP-VHSXEESVSA-N 2 2 221.304 0.936 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCOCCC[NH3+])C[N@@H+]1C1CC1 ZINC000629401589 361052033 /nfs/dbraw/zinc/05/20/33/361052033.db2.gz TXFQOLYWJWRCEJ-NEPJUHHUSA-N 3 2 241.379 0.567 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCOCCC[NH3+])C[N@H+]1C1CC1 ZINC000629401589 361052036 /nfs/dbraw/zinc/05/20/36/361052036.db2.gz TXFQOLYWJWRCEJ-NEPJUHHUSA-N 3 2 241.379 0.567 20 0 BCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000629518597 361119212 /nfs/dbraw/zinc/11/92/12/361119212.db2.gz KSBHOVBJJSVUPT-CYBMUJFWSA-N 2 2 249.362 0.792 20 0 BCADLP CCn1nnc(C)c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000629518597 361119215 /nfs/dbraw/zinc/11/92/15/361119215.db2.gz KSBHOVBJJSVUPT-CYBMUJFWSA-N 2 2 249.362 0.792 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@@H+]1CCOC1CCOCC1 ZINC000629507717 361102244 /nfs/dbraw/zinc/10/22/44/361102244.db2.gz IBGVPXXAXMNAFW-GFCCVEGCSA-N 2 2 242.363 0.995 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@H+]1CCOC1CCOCC1 ZINC000629507717 361102247 /nfs/dbraw/zinc/10/22/47/361102247.db2.gz IBGVPXXAXMNAFW-GFCCVEGCSA-N 2 2 242.363 0.995 20 0 BCADLP C[C@@H](C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)[C@H](C)[NH3+] ZINC000424187989 200882708 /nfs/dbraw/zinc/88/27/08/200882708.db2.gz JCOMMLSKTUBGAM-VGMNWLOBSA-N 2 2 249.305 0.331 20 0 BCADLP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)CC[C@H]1[NH3+] ZINC000629510457 361108708 /nfs/dbraw/zinc/10/87/08/361108708.db2.gz UNTWNWGBPQGSOE-GHMZBOCLSA-N 2 2 241.379 0.818 20 0 BCADLP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)CC[C@H]1[NH3+] ZINC000629510457 361108711 /nfs/dbraw/zinc/10/87/11/361108711.db2.gz UNTWNWGBPQGSOE-GHMZBOCLSA-N 2 2 241.379 0.818 20 0 BCADLP C[C@H]1C[N@H+](CC(=O)NCC(C)(C)C)CC[C@@H]1[NH3+] ZINC000629510459 361109000 /nfs/dbraw/zinc/10/90/00/361109000.db2.gz UNTWNWGBPQGSOE-QWRGUYRKSA-N 2 2 241.379 0.818 20 0 BCADLP C[C@H]1C[N@@H+](CC(=O)NCC(C)(C)C)CC[C@@H]1[NH3+] ZINC000629510459 361109002 /nfs/dbraw/zinc/10/90/02/361109002.db2.gz UNTWNWGBPQGSOE-QWRGUYRKSA-N 2 2 241.379 0.818 20 0 BCADLP COc1cncc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000629516565 361115348 /nfs/dbraw/zinc/11/53/48/361115348.db2.gz KNQYRUIQDVODKV-ZJUUUORDSA-N 2 2 236.319 0.654 20 0 BCADLP COc1cncc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000629516565 361115350 /nfs/dbraw/zinc/11/53/50/361115350.db2.gz KNQYRUIQDVODKV-ZJUUUORDSA-N 2 2 236.319 0.654 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000629527600 361134128 /nfs/dbraw/zinc/13/41/28/361134128.db2.gz AAVWYDRVKKAFAY-FIQHERPVSA-N 3 2 211.353 0.986 20 0 BCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000629532062 361150990 /nfs/dbraw/zinc/15/09/90/361150990.db2.gz JTHIQIDHAGACBT-RYUDHWBXSA-N 2 2 249.362 0.790 20 0 BCADLP CCn1nnc(C)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000629532062 361150996 /nfs/dbraw/zinc/15/09/96/361150996.db2.gz JTHIQIDHAGACBT-RYUDHWBXSA-N 2 2 249.362 0.790 20 0 BCADLP C[N@H+](CC(=O)NCC(C)(C)C)C1CC([NH3+])C1 ZINC000629532515 361152429 /nfs/dbraw/zinc/15/24/29/361152429.db2.gz FJSGPQFDPBRMMK-UHFFFAOYSA-N 2 2 227.352 0.570 20 0 BCADLP C[N@@H+](CC(=O)NCC(C)(C)C)C1CC([NH3+])C1 ZINC000629532515 361152437 /nfs/dbraw/zinc/15/24/37/361152437.db2.gz FJSGPQFDPBRMMK-UHFFFAOYSA-N 2 2 227.352 0.570 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCc2ncccc21 ZINC000631579864 361153932 /nfs/dbraw/zinc/15/39/32/361153932.db2.gz KEBCEMVKXZOLLG-BXUZGUMPSA-N 2 2 249.358 0.971 20 0 BCADLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCCc2ncccc21 ZINC000631579870 361154679 /nfs/dbraw/zinc/15/46/79/361154679.db2.gz KEBCEMVKXZOLLG-SMDDNHRTSA-N 2 2 249.358 0.971 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1COCCN1C)[C@@H]1CCCC[NH2+]1 ZINC000629532886 361155349 /nfs/dbraw/zinc/15/53/49/361155349.db2.gz XCRYUSCMWOXHGA-UPJWGTAASA-N 2 2 241.379 0.437 20 0 BCADLP [NH3+]C1(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000353633478 181324667 /nfs/dbraw/zinc/32/46/67/181324667.db2.gz HBQNBOLLAQPCFW-SECBINFHSA-N 2 2 234.303 0.607 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1COCCN1C)[C@@H]1CCCC[NH2+]1 ZINC000629532881 361155886 /nfs/dbraw/zinc/15/58/86/361155886.db2.gz XCRYUSCMWOXHGA-AGIUHOORSA-N 2 2 241.379 0.437 20 0 BCADLP CC(C)[C@H]([NH3+])C(=O)NCCc1[nH]cc[nH+]1 ZINC000158542383 361202748 /nfs/dbraw/zinc/20/27/48/361202748.db2.gz CBWQXAMJWKUWNJ-VIFPVBQESA-N 2 2 210.281 0.052 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640487097 361274823 /nfs/dbraw/zinc/27/48/23/361274823.db2.gz PDPYNZTZUYBKAZ-JQWIXIFHSA-N 2 2 221.304 0.419 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640487097 361274829 /nfs/dbraw/zinc/27/48/29/361274829.db2.gz PDPYNZTZUYBKAZ-JQWIXIFHSA-N 2 2 221.304 0.419 20 0 BCADLP CC(=O)N1CC[C@@H]([NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000622044883 370678629 /nfs/dbraw/zinc/67/86/29/370678629.db2.gz WQFPARHRXBAWBH-UHTWSYAYSA-N 2 2 239.363 0.727 20 0 BCADLP CC(=O)N1CC[C@@H]([NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000622044882 370678985 /nfs/dbraw/zinc/67/89/85/370678985.db2.gz WQFPARHRXBAWBH-RTXFEEFZSA-N 2 2 239.363 0.727 20 0 BCADLP COCC[C@@H](C)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000162338162 361346679 /nfs/dbraw/zinc/34/66/79/361346679.db2.gz ZQVXZLKAVCIZLG-NXEZZACHSA-N 2 2 202.298 0.071 20 0 BCADLP COCC[C@@H](C)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000162338162 361346684 /nfs/dbraw/zinc/34/66/84/361346684.db2.gz ZQVXZLKAVCIZLG-NXEZZACHSA-N 2 2 202.298 0.071 20 0 BCADLP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000170043385 361383148 /nfs/dbraw/zinc/38/31/48/361383148.db2.gz CENBUOCKWYZGDE-QWRGUYRKSA-N 2 2 248.330 0.314 20 0 BCADLP CC[NH2+][C@H](C)CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000579343349 366763206 /nfs/dbraw/zinc/76/32/06/366763206.db2.gz QJKWWGIZJMOYDS-VXNVDRBHSA-N 2 2 242.348 0.257 20 0 BCADLP CC[C@@H]1CC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000429291765 201094685 /nfs/dbraw/zinc/09/46/85/201094685.db2.gz JFPOQPBWPOUISP-ZYHUDNBSSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@@H]1CC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000429291765 201094688 /nfs/dbraw/zinc/09/46/88/201094688.db2.gz JFPOQPBWPOUISP-ZYHUDNBSSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@@H]1CC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000429291765 201094690 /nfs/dbraw/zinc/09/46/90/201094690.db2.gz JFPOQPBWPOUISP-ZYHUDNBSSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@@H]1CC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000429291765 201094693 /nfs/dbraw/zinc/09/46/93/201094693.db2.gz JFPOQPBWPOUISP-ZYHUDNBSSA-N 2 2 212.337 0.926 20 0 BCADLP C[N@H+](CC[NH3+])CCOC1CCOCC1 ZINC000629537380 361400769 /nfs/dbraw/zinc/40/07/69/361400769.db2.gz JEJIVJQVGRTGOV-UHFFFAOYSA-N 2 2 202.298 0.073 20 0 BCADLP C[N@@H+](CC[NH3+])CCOC1CCOCC1 ZINC000629537380 361400775 /nfs/dbraw/zinc/40/07/75/361400775.db2.gz JEJIVJQVGRTGOV-UHFFFAOYSA-N 2 2 202.298 0.073 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2nn[nH]c2C1 ZINC000429318833 201097669 /nfs/dbraw/zinc/09/76/69/201097669.db2.gz PMCZPXJBBTXBBR-UHFFFAOYSA-N 2 2 232.291 0.368 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCc2nn[nH]c2C1 ZINC000429318833 201097673 /nfs/dbraw/zinc/09/76/73/201097673.db2.gz PMCZPXJBBTXBBR-UHFFFAOYSA-N 2 2 232.291 0.368 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2n[nH]nc2C1 ZINC000429318833 201097675 /nfs/dbraw/zinc/09/76/75/201097675.db2.gz PMCZPXJBBTXBBR-UHFFFAOYSA-N 2 2 232.291 0.368 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCc2n[nH]nc2C1 ZINC000429318833 201097678 /nfs/dbraw/zinc/09/76/78/201097678.db2.gz PMCZPXJBBTXBBR-UHFFFAOYSA-N 2 2 232.291 0.368 20 0 BCADLP [NH3+][C@@H]1CCCCC[C@@H]1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629543426 361412089 /nfs/dbraw/zinc/41/20/89/361412089.db2.gz BECVGFBLDWRCDW-UPJWGTAASA-N 2 2 241.379 0.303 20 0 BCADLP Nc1ncccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000629535419 361409954 /nfs/dbraw/zinc/40/99/54/361409954.db2.gz CFMHJHODYQEDJO-UHFFFAOYSA-N 2 2 232.331 0.992 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H](COC)C1CC1 ZINC000309907630 491158075 /nfs/dbraw/zinc/15/80/75/491158075.db2.gz LDJODKNXKFJROD-LBPRGKRZSA-N 2 2 230.352 0.315 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H](COC)C1CC1 ZINC000309907630 491158076 /nfs/dbraw/zinc/15/80/76/491158076.db2.gz LDJODKNXKFJROD-LBPRGKRZSA-N 2 2 230.352 0.315 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCC(C)(C)C ZINC000629545184 361425741 /nfs/dbraw/zinc/42/57/41/361425741.db2.gz CISFUSXTHSBUGC-GHMZBOCLSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCC(C)(C)C ZINC000629545184 361425742 /nfs/dbraw/zinc/42/57/42/361425742.db2.gz CISFUSXTHSBUGC-GHMZBOCLSA-N 2 2 241.379 0.960 20 0 BCADLP c1c[nH+]c([C@@H](N[C@@H]2CC[NH2+]C2)c2cccnc2)[nH]1 ZINC000629553206 361437551 /nfs/dbraw/zinc/43/75/51/361437551.db2.gz OSKZAZAIQWTTKF-NEPJUHHUSA-N 2 2 243.314 0.846 20 0 BCADLP C[C@H]([NH2+]CCN(C)CC(F)F)[C@H]1CCC[NH2+]1 ZINC000629555006 361437617 /nfs/dbraw/zinc/43/76/17/361437617.db2.gz PWOLMXUCEUFFAQ-VHSXEESVSA-N 2 2 235.322 0.913 20 0 BCADLP CC[C@H](N[C@@H]1CC[NH2+]C1)c1[nH+]ccn1C ZINC000629553524 361438844 /nfs/dbraw/zinc/43/88/44/361438844.db2.gz VGHCCSLPAOBHBL-ZJUUUORDSA-N 2 2 208.309 0.823 20 0 BCADLP Cc1[nH]ncc1[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629541923 361417580 /nfs/dbraw/zinc/41/75/80/361417580.db2.gz UEVYINQPFCTJRV-SECBINFHSA-N 2 2 226.324 0.734 20 0 BCADLP Nc1ncccc1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000629542205 361417935 /nfs/dbraw/zinc/41/79/35/361417935.db2.gz ZVTUZMPBBSWFFJ-NSHDSACASA-N 2 2 236.319 0.213 20 0 BCADLP Nc1ncccc1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000629542205 361417939 /nfs/dbraw/zinc/41/79/39/361417939.db2.gz ZVTUZMPBBSWFFJ-NSHDSACASA-N 2 2 236.319 0.213 20 0 BCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629542528 361418898 /nfs/dbraw/zinc/41/88/98/361418898.db2.gz FKNUEPVADUJOBZ-GARJFASQSA-N 2 2 248.392 0.540 20 0 BCADLP CCOC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000629574806 361462803 /nfs/dbraw/zinc/46/28/03/361462803.db2.gz KZAZYWVZAZQVPJ-NEPJUHHUSA-N 2 2 228.336 0.333 20 0 BCADLP CCOC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000629574806 361462807 /nfs/dbraw/zinc/46/28/07/361462807.db2.gz KZAZYWVZAZQVPJ-NEPJUHHUSA-N 2 2 228.336 0.333 20 0 BCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC(=O)NC1CC1)C2 ZINC000629584585 361473514 /nfs/dbraw/zinc/47/35/14/361473514.db2.gz SPLRZKMRBDRWKU-BETUJISGSA-N 2 2 237.347 0.196 20 0 BCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC(=O)NC1CC1)C2 ZINC000629584585 361473519 /nfs/dbraw/zinc/47/35/19/361473519.db2.gz SPLRZKMRBDRWKU-BETUJISGSA-N 2 2 237.347 0.196 20 0 BCADLP CC(=O)NC[C@H]1CCCC[N@H+]1C[C@H](C)[NH3+] ZINC000629595143 361482298 /nfs/dbraw/zinc/48/22/98/361482298.db2.gz JZQZZIYXNGUITM-GXSJLCMTSA-N 2 2 213.325 0.324 20 0 BCADLP CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](C)[NH3+] ZINC000629595143 361482301 /nfs/dbraw/zinc/48/23/01/361482301.db2.gz JZQZZIYXNGUITM-GXSJLCMTSA-N 2 2 213.325 0.324 20 0 BCADLP C[C@@H]1CC[S@@](=O)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000433182891 201165059 /nfs/dbraw/zinc/16/50/59/201165059.db2.gz PKZYVQOKCBBMLB-BDJLRTHQSA-N 2 2 241.360 0.726 20 0 BCADLP C[C@@H]1CC[S@@](=O)CC[N@H+]1CCn1cc[nH+]c1 ZINC000433182891 201165060 /nfs/dbraw/zinc/16/50/60/201165060.db2.gz PKZYVQOKCBBMLB-BDJLRTHQSA-N 2 2 241.360 0.726 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629595832 361483846 /nfs/dbraw/zinc/48/38/46/361483846.db2.gz RABGAQVIIOPCQE-WCFLWFBJSA-N 2 2 239.363 0.395 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629595832 361483848 /nfs/dbraw/zinc/48/38/48/361483848.db2.gz RABGAQVIIOPCQE-WCFLWFBJSA-N 2 2 239.363 0.395 20 0 BCADLP COC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000629601828 361492165 /nfs/dbraw/zinc/49/21/65/361492165.db2.gz MOOWSXAWMXFPCV-OLZOCXBDSA-N 2 2 242.363 0.600 20 0 BCADLP COC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000629601828 361492166 /nfs/dbraw/zinc/49/21/66/361492166.db2.gz MOOWSXAWMXFPCV-OLZOCXBDSA-N 2 2 242.363 0.600 20 0 BCADLP CC[N@H+](CC[NH3+])CCCn1cc[nH+]c1C ZINC000629557682 361451270 /nfs/dbraw/zinc/45/12/70/361451270.db2.gz BTURAQNAWLXQEO-UHFFFAOYSA-N 3 2 210.325 0.862 20 0 BCADLP CC[N@@H+](CC[NH3+])CCCn1cc[nH+]c1C ZINC000629557682 361451271 /nfs/dbraw/zinc/45/12/71/361451271.db2.gz BTURAQNAWLXQEO-UHFFFAOYSA-N 3 2 210.325 0.862 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000309931017 491158497 /nfs/dbraw/zinc/15/84/97/491158497.db2.gz YAERTVDZRFEJBA-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000309931017 491158498 /nfs/dbraw/zinc/15/84/98/491158498.db2.gz YAERTVDZRFEJBA-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP C[NH2+]CCOCC[N@H+](C)Cc1nccn1C ZINC000629652153 361549982 /nfs/dbraw/zinc/54/99/82/361549982.db2.gz BNAMPTRSGBSYBC-UHFFFAOYSA-N 2 2 226.324 0.088 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)Cc1nccn1C ZINC000629652153 361549990 /nfs/dbraw/zinc/54/99/90/361549990.db2.gz BNAMPTRSGBSYBC-UHFFFAOYSA-N 2 2 226.324 0.088 20 0 BCADLP C[NH2+]CCOCC[N@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000629653279 361553467 /nfs/dbraw/zinc/55/34/67/361553467.db2.gz JVALAGPMQTWQQT-LBPRGKRZSA-N 3 2 231.384 0.528 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000629653279 361553471 /nfs/dbraw/zinc/55/34/71/361553471.db2.gz JVALAGPMQTWQQT-LBPRGKRZSA-N 3 2 231.384 0.528 20 0 BCADLP C[NH2+]CCOCC[N@H+](C)C[C@H]([NH3+])CC(C)C ZINC000629653268 361553518 /nfs/dbraw/zinc/55/35/18/361553518.db2.gz JVALAGPMQTWQQT-GFCCVEGCSA-N 3 2 231.384 0.528 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)C[C@H]([NH3+])CC(C)C ZINC000629653268 361553524 /nfs/dbraw/zinc/55/35/24/361553524.db2.gz JVALAGPMQTWQQT-GFCCVEGCSA-N 3 2 231.384 0.528 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](Cc2ccn(C)c2)CCO1 ZINC000629651284 361555524 /nfs/dbraw/zinc/55/55/24/361555524.db2.gz DZTFURPSGROZDB-PWSUYJOCSA-N 2 2 223.320 0.573 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](Cc2ccn(C)c2)CCO1 ZINC000629651284 361555531 /nfs/dbraw/zinc/55/55/31/361555531.db2.gz DZTFURPSGROZDB-PWSUYJOCSA-N 2 2 223.320 0.573 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@H+](Cc2ccn(C)c2)CCO1 ZINC000629651282 361555723 /nfs/dbraw/zinc/55/57/23/361555723.db2.gz DZTFURPSGROZDB-JQWIXIFHSA-N 2 2 223.320 0.573 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](Cc2ccn(C)c2)CCO1 ZINC000629651282 361555729 /nfs/dbraw/zinc/55/57/29/361555729.db2.gz DZTFURPSGROZDB-JQWIXIFHSA-N 2 2 223.320 0.573 20 0 BCADLP C(C[NH+]1CCOCC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435241492 201257515 /nfs/dbraw/zinc/25/75/15/201257515.db2.gz GBXKRHZMBCWFSH-CYBMUJFWSA-N 2 2 239.363 0.145 20 0 BCADLP c1cnn(CC[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000435235754 201257526 /nfs/dbraw/zinc/25/75/26/201257526.db2.gz OLPKNODGJCMZPA-GFCCVEGCSA-N 2 2 220.320 0.709 20 0 BCADLP c1cnn(CC[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000435235754 201257528 /nfs/dbraw/zinc/25/75/28/201257528.db2.gz OLPKNODGJCMZPA-GFCCVEGCSA-N 2 2 220.320 0.709 20 0 BCADLP CC[N@H+](Cc1cn(C)nn1)[C@H]1CCC[NH2+]CC1 ZINC000435384761 201266926 /nfs/dbraw/zinc/26/69/26/201266926.db2.gz OGFGGIQQJOJRAB-LBPRGKRZSA-N 2 2 237.351 0.779 20 0 BCADLP CC[N@@H+](Cc1cn(C)nn1)[C@H]1CCC[NH2+]CC1 ZINC000435384761 201266928 /nfs/dbraw/zinc/26/69/28/201266928.db2.gz OGFGGIQQJOJRAB-LBPRGKRZSA-N 2 2 237.351 0.779 20 0 BCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H]1CC[NH2+]C1)CC2 ZINC000627249949 363863881 /nfs/dbraw/zinc/86/38/81/363863881.db2.gz NVTHWEGOZQSPFK-SNVBAGLBSA-N 2 2 249.318 0.079 20 0 BCADLP [NH3+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000037495231 181350808 /nfs/dbraw/zinc/35/08/08/181350808.db2.gz PMDJRZSJIRWHMQ-UHFFFAOYSA-N 2 2 239.344 0.351 20 0 BCADLP [NH3+]CC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000237977138 181353098 /nfs/dbraw/zinc/35/30/98/181353098.db2.gz NDSVZPRCBGXQHR-UHFFFAOYSA-N 2 2 234.303 0.257 20 0 BCADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cnn(C)c2)C[NH2+]1 ZINC000398945664 364203160 /nfs/dbraw/zinc/20/31/60/364203160.db2.gz ARDMZSJZBIQNFC-MWLCHTKSSA-N 2 2 208.309 0.650 20 0 BCADLP C[C@@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)C[NH2+]1 ZINC000398945661 364203653 /nfs/dbraw/zinc/20/36/53/364203653.db2.gz ARDMZSJZBIQNFC-KOLCDFICSA-N 2 2 208.309 0.650 20 0 BCADLP c1nc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(NC2CC2)[nH+]1 ZINC000630555317 364254914 /nfs/dbraw/zinc/25/49/14/364254914.db2.gz IFHVBJVJNXPVOE-PHIMTYICSA-N 2 2 245.330 0.992 20 0 BCADLP C[C@H]1CC[C@@H](NCc2[nH+]ccn2C)C[NH2+]1 ZINC000398958582 364280008 /nfs/dbraw/zinc/28/00/08/364280008.db2.gz KLDSKFQVUAMSNC-VHSXEESVSA-N 2 2 208.309 0.650 20 0 BCADLP C[C@H]1CC[C@H](NCc2[nH+]ccn2C)C[NH2+]1 ZINC000398958581 364280418 /nfs/dbraw/zinc/28/04/18/364280418.db2.gz KLDSKFQVUAMSNC-UWVGGRQHSA-N 2 2 208.309 0.650 20 0 BCADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccnn2C)C[NH2+]1 ZINC000398967510 364376902 /nfs/dbraw/zinc/37/69/02/364376902.db2.gz SHGAGJHOKIFJBU-NXEZZACHSA-N 2 2 208.309 0.650 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCCO2)n1C ZINC000579495899 366833208 /nfs/dbraw/zinc/83/32/08/366833208.db2.gz QEHLTEGESIEOHV-NSHDSACASA-N 2 2 209.293 0.997 20 0 BCADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)c1[nH]cc[nH+]1 ZINC000615158222 364551301 /nfs/dbraw/zinc/55/13/01/364551301.db2.gz KXPUQJOBRSUCNH-NXEZZACHSA-N 2 2 236.319 0.929 20 0 BCADLP C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)c1[nH]cc[nH+]1 ZINC000615158222 364551305 /nfs/dbraw/zinc/55/13/05/364551305.db2.gz KXPUQJOBRSUCNH-NXEZZACHSA-N 2 2 236.319 0.929 20 0 BCADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCS(=O)(=O)C2)C[NH2+]1 ZINC000399035027 364737329 /nfs/dbraw/zinc/73/73/29/364737329.db2.gz NOMZHQINSVSXAD-VWYCJHECSA-N 2 2 246.376 0.294 20 0 BCADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)C[NH2+]1 ZINC000399035026 364737651 /nfs/dbraw/zinc/73/76/51/364737651.db2.gz NOMZHQINSVSXAD-OUAUKWLOSA-N 2 2 246.376 0.294 20 0 BCADLP CCO[C@@H]1C[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000573346859 364807534 /nfs/dbraw/zinc/80/75/34/364807534.db2.gz YGMNYBVEHDFZLJ-GHMZBOCLSA-N 2 2 238.335 0.753 20 0 BCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccoc1 ZINC000167431588 364792734 /nfs/dbraw/zinc/79/27/34/364792734.db2.gz JJTJDBOWZOOTKT-KOLCDFICSA-N 2 2 212.293 0.853 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H](C)CCCO)n1C ZINC000573505954 364851088 /nfs/dbraw/zinc/85/10/88/364851088.db2.gz HYFSYDHTJPFEHC-VIFPVBQESA-N 2 2 211.309 0.979 20 0 BCADLP C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000328461721 364853898 /nfs/dbraw/zinc/85/38/98/364853898.db2.gz HLYZABZBROROIK-UTUOFQBUSA-N 2 2 212.337 0.831 20 0 BCADLP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000328461721 364853899 /nfs/dbraw/zinc/85/38/99/364853899.db2.gz HLYZABZBROROIK-UTUOFQBUSA-N 2 2 212.337 0.831 20 0 BCADLP CCCCOCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653075259 487527928 /nfs/dbraw/zinc/52/79/28/487527928.db2.gz LCIATQQRCNZCGB-NSHDSACASA-N 2 2 245.367 0.198 20 0 BCADLP C[C@H](C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C)CS(C)(=O)=O ZINC000573383338 364818150 /nfs/dbraw/zinc/81/81/50/364818150.db2.gz QZLDORVCLRHKBG-VWYCJHECSA-N 2 2 248.392 0.479 20 0 BCADLP C[C@H](C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C)CS(C)(=O)=O ZINC000573383338 364818156 /nfs/dbraw/zinc/81/81/56/364818156.db2.gz QZLDORVCLRHKBG-VWYCJHECSA-N 2 2 248.392 0.479 20 0 BCADLP COCC[N@H+](C)CCNCc1[nH]c(C)c(C)[nH+]1 ZINC000573700265 364898115 /nfs/dbraw/zinc/89/81/15/364898115.db2.gz YYRPTHWOJWTSIC-UHFFFAOYSA-N 2 2 240.351 0.694 20 0 BCADLP COCC[N@@H+](C)CCNCc1[nH]c(C)c(C)[nH+]1 ZINC000573700265 364898119 /nfs/dbraw/zinc/89/81/19/364898119.db2.gz YYRPTHWOJWTSIC-UHFFFAOYSA-N 2 2 240.351 0.694 20 0 BCADLP Cn1nccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334418075 541413733 /nfs/dbraw/zinc/41/37/33/541413733.db2.gz RLRKONLQJFQVKO-CYBMUJFWSA-N 2 2 234.347 0.996 20 0 BCADLP Cn1nccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334418075 541413740 /nfs/dbraw/zinc/41/37/40/541413740.db2.gz RLRKONLQJFQVKO-CYBMUJFWSA-N 2 2 234.347 0.996 20 0 BCADLP C[C@H]1CC[N@H+](CC(=O)NCCn2cc[nH+]c2)C1 ZINC000573979762 364960307 /nfs/dbraw/zinc/96/03/07/364960307.db2.gz OGQQJWMHUDBAGA-NSHDSACASA-N 2 2 236.319 0.341 20 0 BCADLP C[C@H]1CC[N@@H+](CC(=O)NCCn2cc[nH+]c2)C1 ZINC000573979762 364960315 /nfs/dbraw/zinc/96/03/15/364960315.db2.gz OGQQJWMHUDBAGA-NSHDSACASA-N 2 2 236.319 0.341 20 0 BCADLP CC[C@@H](C(N)=O)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151327172 541441256 /nfs/dbraw/zinc/44/12/56/541441256.db2.gz CNHBDXMHICQLDY-LBPRGKRZSA-N 2 2 248.330 0.468 20 0 BCADLP [NH3+]CCC[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000334860420 181380017 /nfs/dbraw/zinc/38/00/17/181380017.db2.gz SJAQZVMVNQXODF-NXEZZACHSA-N 2 2 211.309 0.078 20 0 BCADLP [NH3+]CCC[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000334860420 181380020 /nfs/dbraw/zinc/38/00/20/181380020.db2.gz SJAQZVMVNQXODF-NXEZZACHSA-N 2 2 211.309 0.078 20 0 BCADLP [NH3+]CCCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000237779162 181381036 /nfs/dbraw/zinc/38/10/36/181381036.db2.gz MPQZIPADXCMGMU-UHFFFAOYSA-N 2 2 232.287 0.342 20 0 BCADLP C[C@H](C[NH2+]CC1(O)CCC1)C[NH+]1CCOCC1 ZINC000574393292 365051158 /nfs/dbraw/zinc/05/11/58/365051158.db2.gz OBFZMFHYSHDYBN-GFCCVEGCSA-N 2 2 242.363 0.459 20 0 BCADLP [NH3+]CCOCC[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000357079044 181399123 /nfs/dbraw/zinc/39/91/23/181399123.db2.gz CINDXXVGUIYAJI-UONOGXRCSA-N 3 2 249.358 0.388 20 0 BCADLP [NH3+]CCOCC[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000357079044 181399125 /nfs/dbraw/zinc/39/91/25/181399125.db2.gz CINDXXVGUIYAJI-UONOGXRCSA-N 3 2 249.358 0.388 20 0 BCADLP Nc1[nH+]cnc(N2C[C@H]3C[NH2+]C[C@H]3C2)c1Cl ZINC000574505577 365075601 /nfs/dbraw/zinc/07/56/01/365075601.db2.gz LAJSYWFNRSPFRQ-KNVOCYPGSA-N 2 2 239.710 0.368 20 0 BCADLP Nc1nc[nH+]c(N2C[C@H]3C[NH2+]C[C@H]3C2)c1Cl ZINC000574505577 365075610 /nfs/dbraw/zinc/07/56/10/365075610.db2.gz LAJSYWFNRSPFRQ-KNVOCYPGSA-N 2 2 239.710 0.368 20 0 BCADLP CO[C@H]1C[C@@H]([N@H+](C)C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000574879992 365166244 /nfs/dbraw/zinc/16/62/44/365166244.db2.gz BQWBZEULJTWLDX-RWMBFGLXSA-N 2 2 242.363 0.551 20 0 BCADLP CO[C@H]1C[C@@H]([N@@H+](C)C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000574879992 365166247 /nfs/dbraw/zinc/16/62/47/365166247.db2.gz BQWBZEULJTWLDX-RWMBFGLXSA-N 2 2 242.363 0.551 20 0 BCADLP CO[C@H]1C[C@@H]([NH+](C)C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000574879992 365166252 /nfs/dbraw/zinc/16/62/52/365166252.db2.gz BQWBZEULJTWLDX-RWMBFGLXSA-N 2 2 242.363 0.551 20 0 BCADLP CO[C@H]1C[C@@H]([NH+](C)C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000574879992 365166255 /nfs/dbraw/zinc/16/62/55/365166255.db2.gz BQWBZEULJTWLDX-RWMBFGLXSA-N 2 2 242.363 0.551 20 0 BCADLP CSC[C@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000574806077 365147178 /nfs/dbraw/zinc/14/71/78/365147178.db2.gz UPDSJDPHDWEDFL-NXEZZACHSA-N 2 2 241.360 0.511 20 0 BCADLP CCOC1CC(O)(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000444014374 193033094 /nfs/dbraw/zinc/03/30/94/193033094.db2.gz PHJCDZFGIPMHMT-CQLXCSJHSA-N 2 2 242.363 0.456 20 0 BCADLP CCOC1CC(O)(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000444014374 193033096 /nfs/dbraw/zinc/03/30/96/193033096.db2.gz PHJCDZFGIPMHMT-CQLXCSJHSA-N 2 2 242.363 0.456 20 0 BCADLP CCOC1CC(O)(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000444014377 193033171 /nfs/dbraw/zinc/03/31/71/193033171.db2.gz PHJCDZFGIPMHMT-QCXCNERSSA-N 2 2 242.363 0.456 20 0 BCADLP CCOC1CC(O)(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000444014377 193033173 /nfs/dbraw/zinc/03/31/73/193033173.db2.gz PHJCDZFGIPMHMT-QCXCNERSSA-N 2 2 242.363 0.456 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1coc(C[NH3+])c1 ZINC000444177414 193039491 /nfs/dbraw/zinc/03/94/91/193039491.db2.gz VTQQPCLUPPAAMN-VIFPVBQESA-N 2 2 248.286 0.753 20 0 BCADLP O=C([C@H]1CC[NH2+]1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000444175812 193040232 /nfs/dbraw/zinc/04/02/32/193040232.db2.gz MDTXSEUZYBFREK-VHSXEESVSA-N 2 2 234.303 0.478 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444266037 193043657 /nfs/dbraw/zinc/04/36/57/193043657.db2.gz COHCKPRWHAYGPB-SKDRFNHKSA-N 2 2 234.303 0.334 20 0 BCADLP Cc1[nH+]ccn1CC(=O)NCCCn1cc[nH+]c1 ZINC000622274560 370814984 /nfs/dbraw/zinc/81/49/84/370814984.db2.gz PAJVZDBHPNRLAK-UHFFFAOYSA-N 2 2 247.302 0.595 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000575393912 365306544 /nfs/dbraw/zinc/30/65/44/365306544.db2.gz DZMKACVOOZIADB-CMPLNLGQSA-N 2 2 248.330 0.482 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000575393912 365306552 /nfs/dbraw/zinc/30/65/52/365306552.db2.gz DZMKACVOOZIADB-CMPLNLGQSA-N 2 2 248.330 0.482 20 0 BCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000575847596 365382339 /nfs/dbraw/zinc/38/23/39/365382339.db2.gz LJPUOIYWUGLPAL-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000575847596 365382342 /nfs/dbraw/zinc/38/23/42/365382342.db2.gz LJPUOIYWUGLPAL-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CC(F)(F)C[NH3+] ZINC000579967113 367107114 /nfs/dbraw/zinc/10/71/14/367107114.db2.gz QXVYSGJLDOUBGJ-QMMMGPOBSA-N 2 2 246.261 0.372 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC=C(C)CC1 ZINC000580812102 367173623 /nfs/dbraw/zinc/17/36/23/367173623.db2.gz INJPDAHGNUFLLA-CYBMUJFWSA-N 2 2 242.363 0.578 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC=C(C)CC1 ZINC000580812102 367173631 /nfs/dbraw/zinc/17/36/31/367173631.db2.gz INJPDAHGNUFLLA-CYBMUJFWSA-N 2 2 242.363 0.578 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC=C(C)CC1 ZINC000580812102 367173637 /nfs/dbraw/zinc/17/36/37/367173637.db2.gz INJPDAHGNUFLLA-CYBMUJFWSA-N 2 2 242.363 0.578 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC=C(C)CC1 ZINC000580812102 367173643 /nfs/dbraw/zinc/17/36/43/367173643.db2.gz INJPDAHGNUFLLA-CYBMUJFWSA-N 2 2 242.363 0.578 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H](C)CCC[NH3+])c[nH+]1 ZINC000581131271 367271667 /nfs/dbraw/zinc/27/16/67/367271667.db2.gz LLCNRDGVCLOHQE-ZETCQYMHSA-N 2 2 210.281 0.575 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000581022298 367239373 /nfs/dbraw/zinc/23/93/73/367239373.db2.gz RDRRIZXEMFJXKK-YZRBJQDESA-N 2 2 225.336 0.454 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000581022298 367239376 /nfs/dbraw/zinc/23/93/76/367239376.db2.gz RDRRIZXEMFJXKK-YZRBJQDESA-N 2 2 225.336 0.454 20 0 BCADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)S(C)(=O)=O ZINC000381517186 367422955 /nfs/dbraw/zinc/42/29/55/367422955.db2.gz SPTMOPVFQMDLAW-MXWKQRLJSA-N 2 2 248.392 0.349 20 0 BCADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)S(C)(=O)=O ZINC000381517186 367422959 /nfs/dbraw/zinc/42/29/59/367422959.db2.gz SPTMOPVFQMDLAW-MXWKQRLJSA-N 2 2 248.392 0.349 20 0 BCADLP C[C@H]([NH3+])C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000381268589 367372352 /nfs/dbraw/zinc/37/23/52/367372352.db2.gz UWMCGGWAAGOYRN-JTQLQIEISA-N 3 2 215.341 0.163 20 0 BCADLP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)S(C)(=O)=O ZINC000381531721 367425540 /nfs/dbraw/zinc/42/55/40/367425540.db2.gz ZJTWUDYUPLZZHN-VWYCJHECSA-N 2 2 248.392 0.492 20 0 BCADLP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)S(C)(=O)=O ZINC000381531721 367425546 /nfs/dbraw/zinc/42/55/46/367425546.db2.gz ZJTWUDYUPLZZHN-VWYCJHECSA-N 2 2 248.392 0.492 20 0 BCADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000382515700 367532307 /nfs/dbraw/zinc/53/23/07/367532307.db2.gz REBOASAUVSDMJH-MNOVXSKESA-N 2 2 236.319 0.517 20 0 BCADLP CS[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000382926049 367568923 /nfs/dbraw/zinc/56/89/23/367568923.db2.gz JKRJTKCZKYMLFI-NEPJUHHUSA-N 2 2 244.404 0.879 20 0 BCADLP CS[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000382926049 367568926 /nfs/dbraw/zinc/56/89/26/367568926.db2.gz JKRJTKCZKYMLFI-NEPJUHHUSA-N 2 2 244.404 0.879 20 0 BCADLP CS[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000382926049 367568931 /nfs/dbraw/zinc/56/89/31/367568931.db2.gz JKRJTKCZKYMLFI-NEPJUHHUSA-N 2 2 244.404 0.879 20 0 BCADLP CS[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000382926049 367568936 /nfs/dbraw/zinc/56/89/36/367568936.db2.gz JKRJTKCZKYMLFI-NEPJUHHUSA-N 2 2 244.404 0.879 20 0 BCADLP CS[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000382926051 367568678 /nfs/dbraw/zinc/56/86/78/367568678.db2.gz JKRJTKCZKYMLFI-RYUDHWBXSA-N 2 2 244.404 0.879 20 0 BCADLP CS[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000382926051 367568681 /nfs/dbraw/zinc/56/86/81/367568681.db2.gz JKRJTKCZKYMLFI-RYUDHWBXSA-N 2 2 244.404 0.879 20 0 BCADLP CS[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000382926051 367568685 /nfs/dbraw/zinc/56/86/85/367568685.db2.gz JKRJTKCZKYMLFI-RYUDHWBXSA-N 2 2 244.404 0.879 20 0 BCADLP CS[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000382926051 367568689 /nfs/dbraw/zinc/56/86/89/367568689.db2.gz JKRJTKCZKYMLFI-RYUDHWBXSA-N 2 2 244.404 0.879 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000383115251 367597258 /nfs/dbraw/zinc/59/72/58/367597258.db2.gz FVRGMXQXARNEOT-UWVGGRQHSA-N 2 2 236.319 0.528 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)CC)CCCO1 ZINC000383830264 367655959 /nfs/dbraw/zinc/65/59/59/367655959.db2.gz XPUJVMUKVKXGOJ-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)CC)CCCO1 ZINC000383830264 367655961 /nfs/dbraw/zinc/65/59/61/367655961.db2.gz XPUJVMUKVKXGOJ-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)CC)CCCO1 ZINC000383830264 367655962 /nfs/dbraw/zinc/65/59/62/367655962.db2.gz XPUJVMUKVKXGOJ-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)CC)CCCO1 ZINC000383830264 367655964 /nfs/dbraw/zinc/65/59/64/367655964.db2.gz XPUJVMUKVKXGOJ-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@H](C)C[N@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000384040519 367669212 /nfs/dbraw/zinc/66/92/12/367669212.db2.gz UZUPOSRVOHVWHP-QWHCGFSZSA-N 2 2 246.395 0.903 20 0 BCADLP CC[C@H](C)C[N@@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000384040519 367669214 /nfs/dbraw/zinc/66/92/14/367669214.db2.gz UZUPOSRVOHVWHP-QWHCGFSZSA-N 2 2 246.395 0.903 20 0 BCADLP CC[C@H](C)C[NH+](C)C[C@H](O)C[N@H+](C)CCOC ZINC000384040519 367669216 /nfs/dbraw/zinc/66/92/16/367669216.db2.gz UZUPOSRVOHVWHP-QWHCGFSZSA-N 2 2 246.395 0.903 20 0 BCADLP CC[C@H](C)C[NH+](C)C[C@H](O)C[N@@H+](C)CCOC ZINC000384040519 367669218 /nfs/dbraw/zinc/66/92/18/367669218.db2.gz UZUPOSRVOHVWHP-QWHCGFSZSA-N 2 2 246.395 0.903 20 0 BCADLP CC[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000384060017 367670967 /nfs/dbraw/zinc/67/09/67/367670967.db2.gz XZNPOQRWDQYZGT-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000384060017 367670970 /nfs/dbraw/zinc/67/09/70/367670970.db2.gz XZNPOQRWDQYZGT-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000384060017 367670972 /nfs/dbraw/zinc/67/09/72/367670972.db2.gz XZNPOQRWDQYZGT-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000384060017 367670975 /nfs/dbraw/zinc/67/09/75/367670975.db2.gz XZNPOQRWDQYZGT-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP C[C@H]1C[C@@H](O)C[N@@H+]1CC[NH2+]C(C)(C)C ZINC000384843839 367741293 /nfs/dbraw/zinc/74/12/93/367741293.db2.gz WLFXYPCJHUVUCD-VHSXEESVSA-N 2 2 200.326 0.830 20 0 BCADLP C[C@H]1C[C@@H](O)C[N@H+]1CC[NH2+]C(C)(C)C ZINC000384843839 367741298 /nfs/dbraw/zinc/74/12/98/367741298.db2.gz WLFXYPCJHUVUCD-VHSXEESVSA-N 2 2 200.326 0.830 20 0 BCADLP COCc1noc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000581726721 367792699 /nfs/dbraw/zinc/79/26/99/367792699.db2.gz BHRLOVGWJGVXNS-DTWKUNHWSA-N 2 2 240.307 0.385 20 0 BCADLP COCc1noc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000581726721 367792704 /nfs/dbraw/zinc/79/27/04/367792704.db2.gz BHRLOVGWJGVXNS-DTWKUNHWSA-N 2 2 240.307 0.385 20 0 BCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)Cn1cc[nH+]c1 ZINC000581794417 367828269 /nfs/dbraw/zinc/82/82/69/367828269.db2.gz DIKOZJNBEBMVHJ-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)Cn1cc[nH+]c1 ZINC000581794417 367828278 /nfs/dbraw/zinc/82/82/78/367828278.db2.gz DIKOZJNBEBMVHJ-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP C[N@@H+]1CCN(C(=O)CC(C)(C)C)[C@H](C[NH3+])C1 ZINC000087613529 367917328 /nfs/dbraw/zinc/91/73/28/367917328.db2.gz YXTKZNBJPSSSOB-SNVBAGLBSA-N 2 2 227.352 0.524 20 0 BCADLP C[N@H+]1CCN(C(=O)CC(C)(C)C)[C@H](C[NH3+])C1 ZINC000087613529 367917330 /nfs/dbraw/zinc/91/73/30/367917330.db2.gz YXTKZNBJPSSSOB-SNVBAGLBSA-N 2 2 227.352 0.524 20 0 BCADLP CCN(CC)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613622 367919595 /nfs/dbraw/zinc/91/95/95/367919595.db2.gz SAKYLCNRIGUKNU-JTQLQIEISA-N 2 2 228.340 0.023 20 0 BCADLP CCN(CC)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613622 367919598 /nfs/dbraw/zinc/91/95/98/367919598.db2.gz SAKYLCNRIGUKNU-JTQLQIEISA-N 2 2 228.340 0.023 20 0 BCADLP COC[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)OC ZINC000386539620 367988886 /nfs/dbraw/zinc/98/88/86/367988886.db2.gz CWQZUZILKJPMAU-WOPDTQHZSA-N 2 2 230.352 0.768 20 0 BCADLP COCCOCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386564314 367991949 /nfs/dbraw/zinc/99/19/49/367991949.db2.gz JZFHVVZNNUTYHM-NWDGAFQWSA-N 2 2 230.352 0.770 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1COCCO1)[C@@H]1CCCC[NH2+]1 ZINC000386561404 367992307 /nfs/dbraw/zinc/99/23/07/367992307.db2.gz JDQQBVMYAYVZEV-TUAOUCFPSA-N 2 2 228.336 0.522 20 0 BCADLP CC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1[nH]cc[nH+]1 ZINC000386262972 367942580 /nfs/dbraw/zinc/94/25/80/367942580.db2.gz WHKSRSULHYBPOO-ZJUUUORDSA-N 2 2 236.319 0.929 20 0 BCADLP CC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1[nH]cc[nH+]1 ZINC000386262972 367942584 /nfs/dbraw/zinc/94/25/84/367942584.db2.gz WHKSRSULHYBPOO-ZJUUUORDSA-N 2 2 236.319 0.929 20 0 BCADLP COC[C@H](CCO)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386601795 368000112 /nfs/dbraw/zinc/00/01/12/368000112.db2.gz UZPLNWKJRYLNRF-SRVKXCTJSA-N 2 2 230.352 0.504 20 0 BCADLP CC[C@@H]1[C@H](CO)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000386358667 367957020 /nfs/dbraw/zinc/95/70/20/367957020.db2.gz ZCVVWANCONDSNR-NWDGAFQWSA-N 2 2 223.320 0.976 20 0 BCADLP CC[C@@H]1[C@H](CO)CC[N@H+]1CCn1cc[nH+]c1 ZINC000386358667 367957025 /nfs/dbraw/zinc/95/70/25/367957025.db2.gz ZCVVWANCONDSNR-NWDGAFQWSA-N 2 2 223.320 0.976 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386624413 368003330 /nfs/dbraw/zinc/00/33/30/368003330.db2.gz YRQQXDJFDKZZCU-DCAQKATOSA-N 2 2 227.352 0.631 20 0 BCADLP C[C@@H]1CN(c2nc[nH+]c(N)c2Cl)C[C@H]1[NH3+] ZINC000581993562 368083539 /nfs/dbraw/zinc/08/35/39/368083539.db2.gz FBEKSKDKOBHKHF-PHDIDXHHSA-N 2 2 227.699 0.496 20 0 BCADLP C[C@@H]1CN(c2nc[nH+]c(N)c2Cl)C[C@@H]1[NH3+] ZINC000581993563 368083940 /nfs/dbraw/zinc/08/39/40/368083940.db2.gz FBEKSKDKOBHKHF-RITPCOANSA-N 2 2 227.699 0.496 20 0 BCADLP CC(C)[C@H](C(=O)N(C)Cc1[nH]cc[nH+]1)[C@H](C)[NH3+] ZINC000399575639 368248988 /nfs/dbraw/zinc/24/89/88/368248988.db2.gz LQZJMRLFAVQPBR-ONGXEEELSA-N 2 2 238.335 0.988 20 0 BCADLP COC[C@]1(C[NH2+]C[C@@]2(C)CC[NH2+]C2)CCC[NH2+]1 ZINC000566973638 326098565 /nfs/dbraw/zinc/09/85/65/326098565.db2.gz NAOBZXGHBIBWGI-QWHCGFSZSA-N 3 2 241.379 0.344 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCCCC[NH2+]1 ZINC000081002588 368566071 /nfs/dbraw/zinc/56/60/71/368566071.db2.gz IYFWXMNYKKLOHT-VIFPVBQESA-N 2 2 222.292 0.558 20 0 BCADLP CCn1cc[nH+]c1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000082304026 368669934 /nfs/dbraw/zinc/66/99/34/368669934.db2.gz QWDCIBORUDPATQ-PHIMTYICSA-N 2 2 220.320 0.554 20 0 BCADLP Cc1[nH+]ccn1CC(=O)NCC[NH+]1CCC1 ZINC000622458462 370933429 /nfs/dbraw/zinc/93/34/29/370933429.db2.gz ODCMHZPQWAUSIM-UHFFFAOYSA-N 2 2 222.292 0.013 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000086271969 368877629 /nfs/dbraw/zinc/87/76/29/368877629.db2.gz SKHIEGYSZYCWJN-DTWKUNHWSA-N 2 2 222.292 0.034 20 0 BCADLP C[N@@H+]1CCN(Cc2cccs2)[C@H](C[NH3+])C1 ZINC000087613417 368895269 /nfs/dbraw/zinc/89/52/69/368895269.db2.gz IJNUIZYUPGYGOC-SNVBAGLBSA-N 2 2 225.361 0.823 20 0 BCADLP C[N@H+]1CCN(Cc2cccs2)[C@H](C[NH3+])C1 ZINC000087613417 368895278 /nfs/dbraw/zinc/89/52/78/368895278.db2.gz IJNUIZYUPGYGOC-SNVBAGLBSA-N 2 2 225.361 0.823 20 0 BCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)Nc2ccccn2)C1 ZINC000631821186 368971944 /nfs/dbraw/zinc/97/19/44/368971944.db2.gz RCDCTJRARVNSML-JTQLQIEISA-N 2 2 234.303 0.301 20 0 BCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccn2)C1 ZINC000631821186 368971950 /nfs/dbraw/zinc/97/19/50/368971950.db2.gz RCDCTJRARVNSML-JTQLQIEISA-N 2 2 234.303 0.301 20 0 BCADLP Cc1nccnc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000631821956 368975310 /nfs/dbraw/zinc/97/53/10/368975310.db2.gz OLFGRRACMZHQAK-KOLCDFICSA-N 2 2 220.320 0.954 20 0 BCADLP Cc1nccnc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000631821956 368975314 /nfs/dbraw/zinc/97/53/14/368975314.db2.gz OLFGRRACMZHQAK-KOLCDFICSA-N 2 2 220.320 0.954 20 0 BCADLP C[C@@H]1CCC[N@H+](C[C@@H]2CCc3ncnn32)[C@H]1C[NH3+] ZINC000631822150 368976263 /nfs/dbraw/zinc/97/62/63/368976263.db2.gz UPZXQIFKEGXSDT-WOPDTQHZSA-N 2 2 249.362 0.825 20 0 BCADLP C[C@@H]1CCC[N@@H+](C[C@@H]2CCc3ncnn32)[C@H]1C[NH3+] ZINC000631822150 368976269 /nfs/dbraw/zinc/97/62/69/368976269.db2.gz UPZXQIFKEGXSDT-WOPDTQHZSA-N 2 2 249.362 0.825 20 0 BCADLP [NH3+]C1(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)CCC1 ZINC000631824119 368987171 /nfs/dbraw/zinc/98/71/71/368987171.db2.gz WQONOIRYKRYBLK-LLVKDONJSA-N 2 2 237.347 0.611 20 0 BCADLP Cc1nccnc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000631826427 368989557 /nfs/dbraw/zinc/98/95/57/368989557.db2.gz MZHXPRCLELCCNC-NEPJUHHUSA-N 2 2 232.331 0.969 20 0 BCADLP Cc1nccnc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000631826427 368989561 /nfs/dbraw/zinc/98/95/61/368989561.db2.gz MZHXPRCLELCCNC-NEPJUHHUSA-N 2 2 232.331 0.969 20 0 BCADLP c1nc2n(n1)[C@H](C[N@@H+]1CC[C@@H]3CC[NH2+][C@H]3C1)CC2 ZINC000631827041 368991146 /nfs/dbraw/zinc/99/11/46/368991146.db2.gz DCWLUWNLTNCQGD-SRVKXCTJSA-N 2 2 247.346 0.449 20 0 BCADLP c1nc2n(n1)[C@H](C[N@H+]1CC[C@@H]3CC[NH2+][C@H]3C1)CC2 ZINC000631827041 368991149 /nfs/dbraw/zinc/99/11/49/368991149.db2.gz DCWLUWNLTNCQGD-SRVKXCTJSA-N 2 2 247.346 0.449 20 0 BCADLP c1nc2n(n1)[C@H](C[N@@H+]1CC[C@@H]3CC[NH2+][C@@H]3C1)CC2 ZINC000631827040 368991331 /nfs/dbraw/zinc/99/13/31/368991331.db2.gz DCWLUWNLTNCQGD-SDDRHHMPSA-N 2 2 247.346 0.449 20 0 BCADLP c1nc2n(n1)[C@H](C[N@H+]1CC[C@@H]3CC[NH2+][C@@H]3C1)CC2 ZINC000631827040 368991334 /nfs/dbraw/zinc/99/13/34/368991334.db2.gz DCWLUWNLTNCQGD-SDDRHHMPSA-N 2 2 247.346 0.449 20 0 BCADLP Cn1ncc2c1nc[nH+]c2N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107571680 369353129 /nfs/dbraw/zinc/35/31/29/369353129.db2.gz QJQFYEDQFPYERD-RKDXNWHRSA-N 2 2 244.302 0.019 20 0 BCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107575733 369353851 /nfs/dbraw/zinc/35/38/51/369353851.db2.gz ZMTUBOHZHWSNKI-GHMZBOCLSA-N 2 2 239.363 0.442 20 0 BCADLP C[C@H]1COCCN1CC[NH2+]C(C)(C)C[NH+](C)C ZINC000459551633 203299240 /nfs/dbraw/zinc/29/92/40/203299240.db2.gz SVQXWJZTDFYZBH-LBPRGKRZSA-N 2 2 243.395 0.637 20 0 BCADLP CCC[C@H]([NH3+])C(=O)N1CC[NH+](CC)CC1 ZINC000000252395 369375777 /nfs/dbraw/zinc/37/57/77/369375777.db2.gz JXYIWWCXGKFVQP-JTQLQIEISA-N 2 2 213.325 0.278 20 0 BCADLP CCOC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404437858 369429323 /nfs/dbraw/zinc/42/93/23/369429323.db2.gz SDRMCQAVTUOONW-WDEREUQCSA-N 2 2 228.336 0.999 20 0 BCADLP CCOC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404437858 369429327 /nfs/dbraw/zinc/42/93/27/369429327.db2.gz SDRMCQAVTUOONW-WDEREUQCSA-N 2 2 228.336 0.999 20 0 BCADLP CCn1cc(CC[N@@H+]2C[C@H]([NH3+])C[C@@H]2C)cn1 ZINC000631861490 369467950 /nfs/dbraw/zinc/46/79/50/369467950.db2.gz CMWNBVAFCWSXFN-CMPLNLGQSA-N 2 2 222.336 0.867 20 0 BCADLP CCn1cc(CC[N@H+]2C[C@H]([NH3+])C[C@@H]2C)cn1 ZINC000631861490 369467952 /nfs/dbraw/zinc/46/79/52/369467952.db2.gz CMWNBVAFCWSXFN-CMPLNLGQSA-N 2 2 222.336 0.867 20 0 BCADLP CN(CCC[NH+](C)C)C(=O)CCc1[nH]cc[nH+]1 ZINC000622484469 370951878 /nfs/dbraw/zinc/95/18/78/370951878.db2.gz MLPXTGBMMRIDQD-UHFFFAOYSA-N 2 2 238.335 0.752 20 0 BCADLP CC[NH+]1CCC([NH2+][C@@H]2COC[C@@H]2OC)CC1 ZINC000459756918 203357701 /nfs/dbraw/zinc/35/77/01/203357701.db2.gz ODGARNBCCJNMBP-NEPJUHHUSA-N 2 2 228.336 0.474 20 0 BCADLP Cc1ncccc1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000631862302 369504599 /nfs/dbraw/zinc/50/45/99/369504599.db2.gz NVMXWKXTNHCMKE-UHFFFAOYSA-N 2 2 249.358 0.936 20 0 BCADLP CCOC[C@H](C)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166115106 203387591 /nfs/dbraw/zinc/38/75/91/203387591.db2.gz GVIYNMUVACIDAX-GRYCIOLGSA-N 2 2 230.352 0.768 20 0 BCADLP CC(C)[C@@H](CO)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000166137027 203388071 /nfs/dbraw/zinc/38/80/71/203388071.db2.gz NSFSJGSFWSXHFK-SDDRHHMPSA-N 2 2 230.352 0.360 20 0 BCADLP CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000619898429 369629563 /nfs/dbraw/zinc/62/95/63/369629563.db2.gz FSFVQJUVBUYIAV-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000619898429 369629568 /nfs/dbraw/zinc/62/95/68/369629568.db2.gz FSFVQJUVBUYIAV-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP C[NH+](C)C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC000568058210 326301339 /nfs/dbraw/zinc/30/13/39/326301339.db2.gz HLYPXWZAVYUTJZ-UHFFFAOYSA-N 2 2 222.292 0.094 20 0 BCADLP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1[nH+]ccn1C ZINC000620599541 369949211 /nfs/dbraw/zinc/94/92/11/369949211.db2.gz GDXSMKIDQXGCLB-NXEZZACHSA-N 2 2 236.319 0.692 20 0 BCADLP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)c1[nH+]ccn1C ZINC000620599541 369949212 /nfs/dbraw/zinc/94/92/12/369949212.db2.gz GDXSMKIDQXGCLB-NXEZZACHSA-N 2 2 236.319 0.692 20 0 BCADLP Cn1ncnc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252861816 370136969 /nfs/dbraw/zinc/13/69/69/370136969.db2.gz NQEFFVWWGCAVSM-GARJFASQSA-N 2 2 235.335 0.374 20 0 BCADLP Cn1ncnc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252861816 370136974 /nfs/dbraw/zinc/13/69/74/370136974.db2.gz NQEFFVWWGCAVSM-GARJFASQSA-N 2 2 235.335 0.374 20 0 BCADLP CC1CC(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000621672797 370424599 /nfs/dbraw/zinc/42/45/99/370424599.db2.gz UEMSNCVFSIZOCH-ILDUYXDCSA-N 2 2 227.352 0.428 20 0 BCADLP CCn1cc(CC[N@@H+]2CCC[C@H]([NH3+])C2)cn1 ZINC000621774635 370521368 /nfs/dbraw/zinc/52/13/68/370521368.db2.gz YZRQSSUUADLFHA-LBPRGKRZSA-N 2 2 222.336 0.869 20 0 BCADLP CCn1cc(CC[N@H+]2CCC[C@H]([NH3+])C2)cn1 ZINC000621774635 370521373 /nfs/dbraw/zinc/52/13/73/370521373.db2.gz YZRQSSUUADLFHA-LBPRGKRZSA-N 2 2 222.336 0.869 20 0 BCADLP [NH3+][C@]12CCC[C@H]1C[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000621778695 370526950 /nfs/dbraw/zinc/52/69/50/370526950.db2.gz UECBRQRDBPBDOR-SRVKXCTJSA-N 3 2 209.337 0.409 20 0 BCADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000621778695 370526953 /nfs/dbraw/zinc/52/69/53/370526953.db2.gz UECBRQRDBPBDOR-SRVKXCTJSA-N 3 2 209.337 0.409 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000621778696 370527699 /nfs/dbraw/zinc/52/76/99/370527699.db2.gz UECBRQRDBPBDOR-TUAOUCFPSA-N 3 2 209.337 0.409 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000621778696 370527703 /nfs/dbraw/zinc/52/77/03/370527703.db2.gz UECBRQRDBPBDOR-TUAOUCFPSA-N 3 2 209.337 0.409 20 0 BCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621780981 370528901 /nfs/dbraw/zinc/52/89/01/370528901.db2.gz YBCQZTBKAAXAFQ-LOWVWBTDSA-N 2 2 239.363 0.714 20 0 BCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621780981 370528906 /nfs/dbraw/zinc/52/89/06/370528906.db2.gz YBCQZTBKAAXAFQ-LOWVWBTDSA-N 2 2 239.363 0.714 20 0 BCADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCn1cncn1)C2 ZINC000621781953 370531032 /nfs/dbraw/zinc/53/10/32/370531032.db2.gz KJTKJQYDZPNEGO-WDEREUQCSA-N 2 2 221.308 0.091 20 0 BCADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC000621781953 370531034 /nfs/dbraw/zinc/53/10/34/370531034.db2.gz KJTKJQYDZPNEGO-WDEREUQCSA-N 2 2 221.308 0.091 20 0 BCADLP COCCOCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621782670 370531532 /nfs/dbraw/zinc/53/15/32/370531532.db2.gz RGIQYYPFHZFINX-NWDGAFQWSA-N 2 2 228.336 0.463 20 0 BCADLP COCCOCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621782670 370531536 /nfs/dbraw/zinc/53/15/36/370531536.db2.gz RGIQYYPFHZFINX-NWDGAFQWSA-N 2 2 228.336 0.463 20 0 BCADLP Cc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)nc[nH+]1 ZINC000078522932 370571540 /nfs/dbraw/zinc/57/15/40/370571540.db2.gz ZRBGEYRLIUJAMX-AOOOYVTPSA-N 2 2 204.277 0.441 20 0 BCADLP Cn1nccc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631889892 370996986 /nfs/dbraw/zinc/99/69/86/370996986.db2.gz KQTXETFKQIBKKE-WCQYABFASA-N 2 2 234.347 0.994 20 0 BCADLP Cn1nccc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631889892 370996989 /nfs/dbraw/zinc/99/69/89/370996989.db2.gz KQTXETFKQIBKKE-WCQYABFASA-N 2 2 234.347 0.994 20 0 BCADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)[C@H]1C[C@H]1C ZINC000623759374 371084907 /nfs/dbraw/zinc/08/49/07/371084907.db2.gz JZCVBZXSHHAOLS-KKOKHZNYSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)[C@H]1C[C@H]1C ZINC000623759374 371084910 /nfs/dbraw/zinc/08/49/10/371084910.db2.gz JZCVBZXSHHAOLS-KKOKHZNYSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)[C@H]1C[C@H]1C ZINC000623838191 371121364 /nfs/dbraw/zinc/12/13/64/371121364.db2.gz JZCVBZXSHHAOLS-WYUUTHIRSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)[C@H]1C[C@H]1C ZINC000623838191 371121367 /nfs/dbraw/zinc/12/13/67/371121367.db2.gz JZCVBZXSHHAOLS-WYUUTHIRSA-N 2 2 212.337 0.687 20 0 BCADLP Cn1c[nH+]cc1C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000623841473 371122451 /nfs/dbraw/zinc/12/24/51/371122451.db2.gz WHFCZXHFBDRPDM-GFCCVEGCSA-N 2 2 248.330 0.663 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000623962609 371199801 /nfs/dbraw/zinc/19/98/01/371199801.db2.gz KHVFXWVWAVFQPV-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000623962609 371199803 /nfs/dbraw/zinc/19/98/03/371199803.db2.gz KHVFXWVWAVFQPV-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000624131381 371332918 /nfs/dbraw/zinc/33/29/18/371332918.db2.gz LZKXUOFQQVPNFN-QFOLPQNPSA-N 2 2 237.347 0.323 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000624131381 371332922 /nfs/dbraw/zinc/33/29/22/371332922.db2.gz LZKXUOFQQVPNFN-QFOLPQNPSA-N 2 2 237.347 0.323 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCN2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000624228537 371416637 /nfs/dbraw/zinc/41/66/37/371416637.db2.gz VDJHLJIOBJBOQB-RWMBFGLXSA-N 2 2 241.379 0.125 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCN2CC[C@@H](O)C2)CC[N@H+]1C ZINC000624228537 371416643 /nfs/dbraw/zinc/41/66/43/371416643.db2.gz VDJHLJIOBJBOQB-RWMBFGLXSA-N 2 2 241.379 0.125 20 0 BCADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCOC1 ZINC000624228589 371416719 /nfs/dbraw/zinc/41/67/19/371416719.db2.gz WGELKLYGHXEOJL-IJLUTSLNSA-N 2 2 228.336 0.068 20 0 BCADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)[C@@H]1CCOC1 ZINC000624228589 371416723 /nfs/dbraw/zinc/41/67/23/371416723.db2.gz WGELKLYGHXEOJL-IJLUTSLNSA-N 2 2 228.336 0.068 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)[C@H]1C ZINC000624339031 371488273 /nfs/dbraw/zinc/48/82/73/371488273.db2.gz KJVMSAIIEUSWEK-RHYQMDGZSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)[C@H]1C ZINC000624339031 371488279 /nfs/dbraw/zinc/48/82/79/371488279.db2.gz KJVMSAIIEUSWEK-RHYQMDGZSA-N 2 2 212.337 0.687 20 0 BCADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624338857 371488407 /nfs/dbraw/zinc/48/84/07/371488407.db2.gz FTANRMSSLHKKLF-WOPDTQHZSA-N 2 2 212.337 0.831 20 0 BCADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624338857 371488414 /nfs/dbraw/zinc/48/84/14/371488414.db2.gz FTANRMSSLHKKLF-WOPDTQHZSA-N 2 2 212.337 0.831 20 0 BCADLP Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)nc[nH+]1 ZINC000624257239 371443410 /nfs/dbraw/zinc/44/34/10/371443410.db2.gz ZYVNFQUKCMWLHU-IAZYJMLFSA-N 2 2 218.304 0.781 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000631821762 372596978 /nfs/dbraw/zinc/59/69/78/372596978.db2.gz IGUWITGHZZPJDL-WDEREUQCSA-N 2 2 235.335 0.449 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1CCc2ncnn21 ZINC000631821762 372596981 /nfs/dbraw/zinc/59/69/81/372596981.db2.gz IGUWITGHZZPJDL-WDEREUQCSA-N 2 2 235.335 0.449 20 0 BCADLP c1nc2n(n1)[C@H](C[N@H+](C1CC1)[C@@H]1CC[NH2+]C1)CC2 ZINC000631822792 372598423 /nfs/dbraw/zinc/59/84/23/372598423.db2.gz OPHCZJDRCZEVRT-NEPJUHHUSA-N 2 2 247.346 0.592 20 0 BCADLP c1nc2n(n1)[C@H](C[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1)CC2 ZINC000631822792 372598426 /nfs/dbraw/zinc/59/84/26/372598426.db2.gz OPHCZJDRCZEVRT-NEPJUHHUSA-N 2 2 247.346 0.592 20 0 BCADLP c1nc2n(n1)[C@@H](C[N@@H+]1CC[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000631822255 372599314 /nfs/dbraw/zinc/59/93/14/372599314.db2.gz YAMOEQLANAFKRQ-GRYCIOLGSA-N 2 2 247.346 0.592 20 0 BCADLP c1nc2n(n1)[C@@H](C[N@H+]1CC[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000631822255 372599319 /nfs/dbraw/zinc/59/93/19/372599319.db2.gz YAMOEQLANAFKRQ-GRYCIOLGSA-N 2 2 247.346 0.592 20 0 BCADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccccn1 ZINC000631823047 372599944 /nfs/dbraw/zinc/59/99/44/372599944.db2.gz UZLANSZNCSLFQO-WDEREUQCSA-N 2 2 248.330 0.689 20 0 BCADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccccn1 ZINC000631823047 372599952 /nfs/dbraw/zinc/59/99/52/372599952.db2.gz UZLANSZNCSLFQO-WDEREUQCSA-N 2 2 248.330 0.689 20 0 BCADLP c1nc2n(n1)[C@H](C[N@@H+]1CC[C@H]3[NH2+]CC[C@H]3C1)CC2 ZINC000631826743 372606540 /nfs/dbraw/zinc/60/65/40/372606540.db2.gz WGRKIQATHJYKAF-SDDRHHMPSA-N 2 2 247.346 0.449 20 0 BCADLP c1nc2n(n1)[C@H](C[N@H+]1CC[C@H]3[NH2+]CC[C@H]3C1)CC2 ZINC000631826743 372606548 /nfs/dbraw/zinc/60/65/48/372606548.db2.gz WGRKIQATHJYKAF-SDDRHHMPSA-N 2 2 247.346 0.449 20 0 BCADLP CC[N@H+](CC[NH3+])Cc1ccc2oc(=O)n(C)c2c1 ZINC000631830044 372612946 /nfs/dbraw/zinc/61/29/46/372612946.db2.gz HYGZAAVHTUQOAG-UHFFFAOYSA-N 2 2 249.314 0.912 20 0 BCADLP CC[N@@H+](CC[NH3+])Cc1ccc2oc(=O)n(C)c2c1 ZINC000631830044 372612952 /nfs/dbraw/zinc/61/29/52/372612952.db2.gz HYGZAAVHTUQOAG-UHFFFAOYSA-N 2 2 249.314 0.912 20 0 BCADLP CN(C(=O)C[N@@H+]1CCCCC[C@@H]([NH3+])C1)C1CC1 ZINC000631834010 372619226 /nfs/dbraw/zinc/61/92/26/372619226.db2.gz NFFXLIMDNDSHOH-LLVKDONJSA-N 2 2 239.363 0.811 20 0 BCADLP CN(C(=O)C[N@H+]1CCCCC[C@@H]([NH3+])C1)C1CC1 ZINC000631834010 372619227 /nfs/dbraw/zinc/61/92/27/372619227.db2.gz NFFXLIMDNDSHOH-LLVKDONJSA-N 2 2 239.363 0.811 20 0 BCADLP CN1CC[C@H]([N@@H+]2CCCCC[C@@H]([NH3+])C2)C1=O ZINC000631835598 372623627 /nfs/dbraw/zinc/62/36/27/372623627.db2.gz VQSTXBUZJRRJNX-MNOVXSKESA-N 2 2 225.336 0.420 20 0 BCADLP CN1CC[C@H]([N@H+]2CCCCC[C@@H]([NH3+])C2)C1=O ZINC000631835598 372623631 /nfs/dbraw/zinc/62/36/31/372623631.db2.gz VQSTXBUZJRRJNX-MNOVXSKESA-N 2 2 225.336 0.420 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCC(=O)NC1CCCC1 ZINC000631860094 372659493 /nfs/dbraw/zinc/65/94/93/372659493.db2.gz UOXHUHJWKCWOGD-WDEREUQCSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCC(=O)NC1CCCC1 ZINC000631860094 372659498 /nfs/dbraw/zinc/65/94/98/372659498.db2.gz UOXHUHJWKCWOGD-WDEREUQCSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC000631860255 372659970 /nfs/dbraw/zinc/65/99/70/372659970.db2.gz WKUHZFIZYPAAGP-KOLCDFICSA-N 2 2 221.304 0.307 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccn(C)c(=O)c1 ZINC000631860255 372659976 /nfs/dbraw/zinc/65/99/76/372659976.db2.gz WKUHZFIZYPAAGP-KOLCDFICSA-N 2 2 221.304 0.307 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCC(=O)Nc1cccnc1 ZINC000631861011 372661222 /nfs/dbraw/zinc/66/12/22/372661222.db2.gz UANPXPHBRSCIJR-GHMZBOCLSA-N 2 2 248.330 0.832 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCC(=O)Nc1cccnc1 ZINC000631861011 372661228 /nfs/dbraw/zinc/66/12/28/372661228.db2.gz UANPXPHBRSCIJR-GHMZBOCLSA-N 2 2 248.330 0.832 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCC(=O)Nc1cccnc1 ZINC000631861014 372661884 /nfs/dbraw/zinc/66/18/84/372661884.db2.gz UANPXPHBRSCIJR-WDEREUQCSA-N 2 2 248.330 0.832 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCC(=O)Nc1cccnc1 ZINC000631861014 372661888 /nfs/dbraw/zinc/66/18/88/372661888.db2.gz UANPXPHBRSCIJR-WDEREUQCSA-N 2 2 248.330 0.832 20 0 BCADLP CCCNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631885949 372681431 /nfs/dbraw/zinc/68/14/31/372681431.db2.gz FICKSTGYOFAJFU-RYUDHWBXSA-N 2 2 239.363 0.587 20 0 BCADLP CCCNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631885949 372681434 /nfs/dbraw/zinc/68/14/34/372681434.db2.gz FICKSTGYOFAJFU-RYUDHWBXSA-N 2 2 239.363 0.587 20 0 BCADLP Cn1c[nH+]cc1CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890396 372687337 /nfs/dbraw/zinc/68/73/37/372687337.db2.gz RKYMCIPDZYOTPW-AAEUAGOBSA-N 2 2 234.347 0.994 20 0 BCADLP O=C(C[NH2+]CC1CC1)NCc1[nH]cc[nH+]1 ZINC000070646676 181977696 /nfs/dbraw/zinc/97/76/96/181977696.db2.gz LYWCWZOCRQQBNE-UHFFFAOYSA-N 2 2 208.265 0.026 20 0 BCADLP O=C(C[C@@H]1CCC[NH2+]1)NCc1[nH]cc[nH+]1 ZINC000070646743 182018111 /nfs/dbraw/zinc/01/81/11/182018111.db2.gz MVWSYFHYCVFWAL-QMMMGPOBSA-N 2 2 208.265 0.168 20 0 BCADLP O=C(Cc1cn2ccccc2[nH+]1)N[C@H]1CC[NH2+]C1 ZINC000178452075 182058824 /nfs/dbraw/zinc/05/88/24/182058824.db2.gz OSNQGYKNIPUSIA-JTQLQIEISA-N 2 2 244.298 0.355 20 0 BCADLP O=C(NCCCn1cc[nH+]c1)C1CC[NH2+]CC1 ZINC000021952487 182177764 /nfs/dbraw/zinc/17/77/64/182177764.db2.gz ZGNOGCWNMWLLDA-UHFFFAOYSA-N 2 2 236.319 0.389 20 0 BCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1CCCC[NH2+]1 ZINC000041051018 182215539 /nfs/dbraw/zinc/21/55/39/182215539.db2.gz FMXQTJPRZZCTEH-JTQLQIEISA-N 2 2 222.292 0.141 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246167514 374183218 /nfs/dbraw/zinc/18/32/18/374183218.db2.gz IKIINSAKBSXBOB-QWRGUYRKSA-N 2 2 225.336 0.278 20 0 BCADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246167514 374183226 /nfs/dbraw/zinc/18/32/26/374183226.db2.gz IKIINSAKBSXBOB-QWRGUYRKSA-N 2 2 225.336 0.278 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246167493 374183907 /nfs/dbraw/zinc/18/39/07/374183907.db2.gz IKIINSAKBSXBOB-MNOVXSKESA-N 2 2 225.336 0.278 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246167493 374183915 /nfs/dbraw/zinc/18/39/15/374183915.db2.gz IKIINSAKBSXBOB-MNOVXSKESA-N 2 2 225.336 0.278 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280687898 182273185 /nfs/dbraw/zinc/27/31/85/182273185.db2.gz ATAXSYIGXGOQKZ-BXKDBHETSA-N 2 2 234.303 0.416 20 0 BCADLP COc1ccnc(C[NH2+][C@@H]2CCC[NH2+]CC2)n1 ZINC000424379433 206039462 /nfs/dbraw/zinc/03/94/62/206039462.db2.gz OTMJXUGGJQWUGX-SNVBAGLBSA-N 2 2 236.319 0.717 20 0 BCADLP CCOCC[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309396044 170389405 /nfs/dbraw/zinc/38/94/05/170389405.db2.gz IKEBORWBDNJJEG-LBPRGKRZSA-N 2 2 230.352 0.410 20 0 BCADLP CCOCC[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309396044 170389406 /nfs/dbraw/zinc/38/94/06/170389406.db2.gz IKEBORWBDNJJEG-LBPRGKRZSA-N 2 2 230.352 0.410 20 0 BCADLP CCOCC[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000309396044 170389408 /nfs/dbraw/zinc/38/94/08/170389408.db2.gz IKEBORWBDNJJEG-LBPRGKRZSA-N 2 2 230.352 0.410 20 0 BCADLP CCOCC[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309396044 170389410 /nfs/dbraw/zinc/38/94/10/170389410.db2.gz IKEBORWBDNJJEG-LBPRGKRZSA-N 2 2 230.352 0.410 20 0 BCADLP OCC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000050104802 183041025 /nfs/dbraw/zinc/04/10/25/183041025.db2.gz MADPSXRKXRYUJA-UHFFFAOYSA-N 2 2 223.320 0.978 20 0 BCADLP OCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000264605881 183054367 /nfs/dbraw/zinc/05/43/67/183054367.db2.gz HDYCHEINEYVHGA-UHFFFAOYSA-N 2 2 209.293 0.902 20 0 BCADLP OCC[N@H+](CCn1cc[nH+]c1)C1CCOCC1 ZINC000331284590 183068401 /nfs/dbraw/zinc/06/84/01/183068401.db2.gz FWWRMVBVSSPOGH-UHFFFAOYSA-N 2 2 239.319 0.356 20 0 BCADLP OCC[N@@H+](CCn1cc[nH+]c1)C1CCOCC1 ZINC000331284590 183068404 /nfs/dbraw/zinc/06/84/04/183068404.db2.gz FWWRMVBVSSPOGH-UHFFFAOYSA-N 2 2 239.319 0.356 20 0 BCADLP OCCOCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374196931 183083094 /nfs/dbraw/zinc/08/30/94/183083094.db2.gz BZRRVIMWYGMNAJ-UHFFFAOYSA-N 2 2 239.319 0.598 20 0 BCADLP OCCO[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000179248385 183086142 /nfs/dbraw/zinc/08/61/42/183086142.db2.gz FZFBEDZUQPYSOE-GFCCVEGCSA-N 2 2 239.319 0.356 20 0 BCADLP OCCO[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000179248385 183086145 /nfs/dbraw/zinc/08/61/45/183086145.db2.gz FZFBEDZUQPYSOE-GFCCVEGCSA-N 2 2 239.319 0.356 20 0 BCADLP CCCC[C@H](C[NH3+])NC(=O)CCn1cc[nH+]c1 ZINC000130406010 169002502 /nfs/dbraw/zinc/00/25/02/169002502.db2.gz ABJMTXLIMLAROS-LLVKDONJSA-N 2 2 238.335 0.907 20 0 BCADLP OC[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000090282756 183143008 /nfs/dbraw/zinc/14/30/08/183143008.db2.gz HHFWHBHTUAFXIW-CYBMUJFWSA-N 2 2 247.298 0.315 20 0 BCADLP OC[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000050116928 183151098 /nfs/dbraw/zinc/15/10/98/183151098.db2.gz CJRVPMWYXFCPSW-LLVKDONJSA-N 2 2 209.293 0.730 20 0 BCADLP OC[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000050116928 183151100 /nfs/dbraw/zinc/15/11/00/183151100.db2.gz CJRVPMWYXFCPSW-LLVKDONJSA-N 2 2 209.293 0.730 20 0 BCADLP CCC[N@H+](C)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000359457281 169068757 /nfs/dbraw/zinc/06/87/57/169068757.db2.gz IMJUVJBOSWHADM-UHFFFAOYSA-N 2 2 236.319 0.567 20 0 BCADLP CCC[N@@H+](C)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000359457281 169068759 /nfs/dbraw/zinc/06/87/59/169068759.db2.gz IMJUVJBOSWHADM-UHFFFAOYSA-N 2 2 236.319 0.567 20 0 BCADLP CCC[N@H+](C)CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000341598823 169064275 /nfs/dbraw/zinc/06/42/75/169064275.db2.gz UNVPUAKSUNMGQZ-UHFFFAOYSA-N 2 2 224.308 0.710 20 0 BCADLP CCC[N@@H+](C)CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000341598823 169064276 /nfs/dbraw/zinc/06/42/76/169064276.db2.gz UNVPUAKSUNMGQZ-UHFFFAOYSA-N 2 2 224.308 0.710 20 0 BCADLP CCC[N@H+](CC(=O)N(C)C)CC(C)(C)[NH3+] ZINC000309457081 169092656 /nfs/dbraw/zinc/09/26/56/169092656.db2.gz NWWIBYVYGKQKCT-UHFFFAOYSA-N 2 2 215.341 0.524 20 0 BCADLP CCC[N@@H+](CC(=O)N(C)C)CC(C)(C)[NH3+] ZINC000309457081 169092657 /nfs/dbraw/zinc/09/26/57/169092657.db2.gz NWWIBYVYGKQKCT-UHFFFAOYSA-N 2 2 215.341 0.524 20 0 BCADLP CCC[N@H+](CC(=O)NC)CC(C)(C)[NH3+] ZINC000336750071 169094587 /nfs/dbraw/zinc/09/45/87/169094587.db2.gz FMIRSTZHCIWURG-UHFFFAOYSA-N 2 2 201.314 0.182 20 0 BCADLP CCC[N@@H+](CC(=O)NC)CC(C)(C)[NH3+] ZINC000336750071 169094589 /nfs/dbraw/zinc/09/45/89/169094589.db2.gz FMIRSTZHCIWURG-UHFFFAOYSA-N 2 2 201.314 0.182 20 0 BCADLP O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CCn1cc[nH+]c1 ZINC000302452345 183213240 /nfs/dbraw/zinc/21/32/40/183213240.db2.gz VJQOGGNAWPBALD-OBPIAQAESA-N 2 2 233.315 0.584 20 0 BCADLP O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2CCn1cc[nH+]c1 ZINC000302452345 183213242 /nfs/dbraw/zinc/21/32/42/183213242.db2.gz VJQOGGNAWPBALD-OBPIAQAESA-N 2 2 233.315 0.584 20 0 BCADLP c1c[nH]c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000049715477 183325328 /nfs/dbraw/zinc/32/53/28/183325328.db2.gz RCLUQDSJAPCJFX-JTQLQIEISA-N 2 2 220.320 0.984 20 0 BCADLP c1c[nH]c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000049715477 183325330 /nfs/dbraw/zinc/32/53/30/183325330.db2.gz RCLUQDSJAPCJFX-JTQLQIEISA-N 2 2 220.320 0.984 20 0 BCADLP CCCNC(=O)C[NH2+]C1CC[NH+](CC)CC1 ZINC000035135809 169225747 /nfs/dbraw/zinc/22/57/47/169225747.db2.gz IRBOTRLMLLOQQZ-UHFFFAOYSA-N 2 2 227.352 0.587 20 0 BCADLP c1cn2c(cccc2C[NH2+]C[C@H]2COCCO2)[nH+]1 ZINC000354273049 183351564 /nfs/dbraw/zinc/35/15/64/183351564.db2.gz RFVDOUFWXWPHIF-LBPRGKRZSA-N 2 2 247.298 0.839 20 0 BCADLP CCCNC(=O)C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000040598773 169221350 /nfs/dbraw/zinc/22/13/50/169221350.db2.gz CHONJGJPHROUHB-NSHDSACASA-N 2 2 227.352 0.444 20 0 BCADLP CCCNC(=O)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000040598773 169221351 /nfs/dbraw/zinc/22/13/51/169221351.db2.gz CHONJGJPHROUHB-NSHDSACASA-N 2 2 227.352 0.444 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000070799653 169222156 /nfs/dbraw/zinc/22/21/56/169222156.db2.gz RFNYIGNBGFTELS-SNVBAGLBSA-N 2 2 213.325 0.054 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000070799653 169222157 /nfs/dbraw/zinc/22/21/57/169222157.db2.gz RFNYIGNBGFTELS-SNVBAGLBSA-N 2 2 213.325 0.054 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366557478 169222387 /nfs/dbraw/zinc/22/23/87/169222387.db2.gz JCASGKRIWVDERP-ZDUSSCGKSA-N 2 2 239.363 0.540 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366557478 169222388 /nfs/dbraw/zinc/22/23/88/169222388.db2.gz JCASGKRIWVDERP-ZDUSSCGKSA-N 2 2 239.363 0.540 20 0 BCADLP CCCNC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366557478 169222390 /nfs/dbraw/zinc/22/23/90/169222390.db2.gz JCASGKRIWVDERP-ZDUSSCGKSA-N 2 2 239.363 0.540 20 0 BCADLP CCCNC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366557478 169222391 /nfs/dbraw/zinc/22/23/91/169222391.db2.gz JCASGKRIWVDERP-ZDUSSCGKSA-N 2 2 239.363 0.540 20 0 BCADLP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221298057 169246533 /nfs/dbraw/zinc/24/65/33/169246533.db2.gz BMJHURHQBBDPRX-QWRGUYRKSA-N 2 2 227.352 0.442 20 0 BCADLP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221298057 169246535 /nfs/dbraw/zinc/24/65/35/169246535.db2.gz BMJHURHQBBDPRX-QWRGUYRKSA-N 2 2 227.352 0.442 20 0 BCADLP CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000226677519 169246889 /nfs/dbraw/zinc/24/68/89/169246889.db2.gz UXOVAVHCTSGQMG-RYUDHWBXSA-N 2 2 241.379 0.833 20 0 BCADLP CCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000226677519 169246891 /nfs/dbraw/zinc/24/68/91/169246891.db2.gz UXOVAVHCTSGQMG-RYUDHWBXSA-N 2 2 241.379 0.833 20 0 BCADLP CCC[C@@](C)([NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000037621447 169451155 /nfs/dbraw/zinc/45/11/55/169451155.db2.gz GTUHIDNHMNFGLN-GFCCVEGCSA-N 2 2 238.335 0.907 20 0 BCADLP CO[C@@H]1C[NH+](C[C@H]([NH3+])CC(C)C)C[C@H]1OC ZINC000300043109 383872030 /nfs/dbraw/zinc/87/20/30/383872030.db2.gz UUNVNUQIUBYUKI-IJLUTSLNSA-N 2 2 230.352 0.705 20 0 BCADLP COC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000069627116 383835283 /nfs/dbraw/zinc/83/52/83/383835283.db2.gz XRQCKMKAKUPBFM-BDAKNGLRSA-N 2 2 200.282 0.219 20 0 BCADLP COC(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000069627116 383835290 /nfs/dbraw/zinc/83/52/90/383835290.db2.gz XRQCKMKAKUPBFM-BDAKNGLRSA-N 2 2 200.282 0.219 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccn(C)n1 ZINC000112340950 383920097 /nfs/dbraw/zinc/92/00/97/383920097.db2.gz VRGPRLYDHKVGEL-SNVBAGLBSA-N 2 2 219.292 0.795 20 0 BCADLP Cn1cc[nH+]c1CN1CC[NH2+]C[C@@H]1C(F)F ZINC000569362414 383905868 /nfs/dbraw/zinc/90/58/68/383905868.db2.gz FYSBQMBJPXYCIN-MRVPVSSYSA-N 2 2 230.262 0.459 20 0 BCADLP COCC[N@H+](C)CC[NH2+]C[C@@H](OC)C1CC1 ZINC000400247251 383981637 /nfs/dbraw/zinc/98/16/37/383981637.db2.gz AHQYEHXEFKDZTN-GFCCVEGCSA-N 2 2 230.352 0.579 20 0 BCADLP COCC[N@@H+](C)CC[NH2+]C[C@@H](OC)C1CC1 ZINC000400247251 383981642 /nfs/dbraw/zinc/98/16/42/383981642.db2.gz AHQYEHXEFKDZTN-GFCCVEGCSA-N 2 2 230.352 0.579 20 0 BCADLP CCNC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227735842 134385916 /nfs/dbraw/zinc/38/59/16/134385916.db2.gz FCZXLWINHAJUNQ-SNVBAGLBSA-N 2 2 215.341 0.428 20 0 BCADLP CCNC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227735842 134385918 /nfs/dbraw/zinc/38/59/18/134385918.db2.gz FCZXLWINHAJUNQ-SNVBAGLBSA-N 2 2 215.341 0.428 20 0 BCADLP CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000313159147 383972880 /nfs/dbraw/zinc/97/28/80/383972880.db2.gz OXYZPSMLVBYIAF-CYDGBPFRSA-N 2 2 244.379 0.893 20 0 BCADLP Cc1n[nH]cc1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000221143540 383976507 /nfs/dbraw/zinc/97/65/07/383976507.db2.gz QMCZDVHFYSHNAA-NSHDSACASA-N 2 2 208.309 0.902 20 0 BCADLP Cc1n[nH]cc1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000221143540 383976511 /nfs/dbraw/zinc/97/65/11/383976511.db2.gz QMCZDVHFYSHNAA-NSHDSACASA-N 2 2 208.309 0.902 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccncc1 ZINC000068802982 384016720 /nfs/dbraw/zinc/01/67/20/384016720.db2.gz ZRAMSRIDROFBPE-OCCSQVGLSA-N 2 2 248.374 0.978 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccncc1 ZINC000068802982 384016725 /nfs/dbraw/zinc/01/67/25/384016725.db2.gz ZRAMSRIDROFBPE-OCCSQVGLSA-N 2 2 248.374 0.978 20 0 BCADLP Cc1nnsc1C[NH2+]CCC[NH+](C)C ZINC000163604053 384021042 /nfs/dbraw/zinc/02/10/42/384021042.db2.gz QNXVSVPOPSKWMA-UHFFFAOYSA-N 2 2 214.338 0.888 20 0 BCADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCO2)C1 ZINC000643544439 384004549 /nfs/dbraw/zinc/00/45/49/384004549.db2.gz KKXNMQJYGIVHNS-UTUOFQBUSA-N 2 2 228.336 0.522 20 0 BCADLP C[C@H]1CC[N@H+](CC(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000518560297 384009570 /nfs/dbraw/zinc/00/95/70/384009570.db2.gz XRROEFDHOOIPHW-JTQLQIEISA-N 2 2 236.319 0.710 20 0 BCADLP C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000518560297 384009577 /nfs/dbraw/zinc/00/95/77/384009577.db2.gz XRROEFDHOOIPHW-JTQLQIEISA-N 2 2 236.319 0.710 20 0 BCADLP COc1ncncc1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000647217032 384033202 /nfs/dbraw/zinc/03/32/02/384033202.db2.gz WMHQOTUYXKZUOP-UHFFFAOYSA-N 2 2 247.302 0.551 20 0 BCADLP Cn1nccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000336534886 384088657 /nfs/dbraw/zinc/08/86/57/384088657.db2.gz COLIWQPEACPQDC-CYBMUJFWSA-N 2 2 234.347 0.996 20 0 BCADLP Cn1nccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000336534886 384088661 /nfs/dbraw/zinc/08/86/61/384088661.db2.gz COLIWQPEACPQDC-CYBMUJFWSA-N 2 2 234.347 0.996 20 0 BCADLP Cn1nccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000336534887 384088955 /nfs/dbraw/zinc/08/89/55/384088955.db2.gz COLIWQPEACPQDC-ZDUSSCGKSA-N 2 2 234.347 0.996 20 0 BCADLP Cn1nccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000336534887 384088959 /nfs/dbraw/zinc/08/89/59/384088959.db2.gz COLIWQPEACPQDC-ZDUSSCGKSA-N 2 2 234.347 0.996 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]Cc2nccn2C)CC[N@@H+]1C ZINC000090721186 384071619 /nfs/dbraw/zinc/07/16/19/384071619.db2.gz UILMUSGYSSMWFJ-GHMZBOCLSA-N 2 2 222.336 0.992 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]Cc2nccn2C)CC[N@H+]1C ZINC000090721186 384071622 /nfs/dbraw/zinc/07/16/22/384071622.db2.gz UILMUSGYSSMWFJ-GHMZBOCLSA-N 2 2 222.336 0.992 20 0 BCADLP COC(=O)C[N@H+](C)CCn1cc[nH+]c1C ZINC000050047778 384102815 /nfs/dbraw/zinc/10/28/15/384102815.db2.gz HAESELZDGPPSGK-UHFFFAOYSA-N 2 2 211.265 0.296 20 0 BCADLP COC(=O)C[N@@H+](C)CCn1cc[nH+]c1C ZINC000050047778 384102817 /nfs/dbraw/zinc/10/28/17/384102817.db2.gz HAESELZDGPPSGK-UHFFFAOYSA-N 2 2 211.265 0.296 20 0 BCADLP [NH3+][C@H]1CCC[C@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000070577752 384122084 /nfs/dbraw/zinc/12/20/84/384122084.db2.gz NIOABXZROXNSIW-QWRGUYRKSA-N 2 2 236.319 0.517 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000071276081 384158820 /nfs/dbraw/zinc/15/88/20/384158820.db2.gz FUPMSKOQUFXGQE-GFCCVEGCSA-N 2 2 236.319 0.426 20 0 BCADLP CC[N@H+](CCCNC(=O)C[NH3+])c1ccccc1 ZINC000040833107 384165868 /nfs/dbraw/zinc/16/58/68/384165868.db2.gz DPRFVOQYDQBMQK-UHFFFAOYSA-N 2 2 235.331 0.978 20 0 BCADLP CC[N@@H+](CCCNC(=O)C[NH3+])c1ccccc1 ZINC000040833107 384165873 /nfs/dbraw/zinc/16/58/73/384165873.db2.gz DPRFVOQYDQBMQK-UHFFFAOYSA-N 2 2 235.331 0.978 20 0 BCADLP OCCC[N@@H+]1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC000449397782 384177612 /nfs/dbraw/zinc/17/76/12/384177612.db2.gz RKROMIIRLCEVFM-GFCCVEGCSA-N 2 2 212.337 0.833 20 0 BCADLP OCCC[N@H+]1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC000449397782 384177615 /nfs/dbraw/zinc/17/76/15/384177615.db2.gz RKROMIIRLCEVFM-GFCCVEGCSA-N 2 2 212.337 0.833 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336599575 384206104 /nfs/dbraw/zinc/20/61/04/384206104.db2.gz PJVJKXVOIMNZFO-YPMHNXCESA-N 2 2 239.363 0.491 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336599575 384206108 /nfs/dbraw/zinc/20/61/08/384206108.db2.gz PJVJKXVOIMNZFO-YPMHNXCESA-N 2 2 239.363 0.491 20 0 BCADLP C[C@H](C(=O)N(C)C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336599575 384206115 /nfs/dbraw/zinc/20/61/15/384206115.db2.gz PJVJKXVOIMNZFO-YPMHNXCESA-N 2 2 239.363 0.491 20 0 BCADLP C[C@H](C(=O)N(C)C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336599575 384206120 /nfs/dbraw/zinc/20/61/20/384206120.db2.gz PJVJKXVOIMNZFO-YPMHNXCESA-N 2 2 239.363 0.491 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@H]1CSC[NH2+]1 ZINC000082523264 384234586 /nfs/dbraw/zinc/23/45/86/384234586.db2.gz ZRTZRRFPRCMXJY-SECBINFHSA-N 2 2 223.301 0.991 20 0 BCADLP CNC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000234363908 384210509 /nfs/dbraw/zinc/21/05/09/384210509.db2.gz ZIROBGAZKKCYRN-ZDUSSCGKSA-N 2 2 247.342 0.888 20 0 BCADLP CC(C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000158259716 384215101 /nfs/dbraw/zinc/21/51/01/384215101.db2.gz YENGLMRLDIUAOG-SDDRHHMPSA-N 2 2 241.379 0.972 20 0 BCADLP CC(C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000158259716 384215105 /nfs/dbraw/zinc/21/51/05/384215105.db2.gz YENGLMRLDIUAOG-SDDRHHMPSA-N 2 2 241.379 0.972 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]Cc2ccnn2C)CC[N@@H+]1C ZINC000093232515 384224741 /nfs/dbraw/zinc/22/47/41/384224741.db2.gz CDQADHWRPKOBBI-GHMZBOCLSA-N 2 2 222.336 0.992 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]Cc2ccnn2C)CC[N@H+]1C ZINC000093232515 384224744 /nfs/dbraw/zinc/22/47/44/384224744.db2.gz CDQADHWRPKOBBI-GHMZBOCLSA-N 2 2 222.336 0.992 20 0 BCADLP Cc1nocc1C[NH2+]CCn1cc[nH+]c1 ZINC000294179483 384277077 /nfs/dbraw/zinc/27/70/77/384277077.db2.gz QKDFRHNRWOCCNM-UHFFFAOYSA-N 2 2 206.249 0.969 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2nccn2C)C1 ZINC000069626953 384247243 /nfs/dbraw/zinc/24/72/43/384247243.db2.gz RPRVBDYYJDTGMO-MNOVXSKESA-N 2 2 222.336 0.979 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2nccn2C)C1 ZINC000069626953 384247247 /nfs/dbraw/zinc/24/72/47/384247247.db2.gz RPRVBDYYJDTGMO-MNOVXSKESA-N 2 2 222.336 0.979 20 0 BCADLP CCC[C@H]([NH3+])C(=O)Nc1ccc(N)[nH+]c1 ZINC000261593139 384277955 /nfs/dbraw/zinc/27/79/55/384277955.db2.gz WQGPTXALGDGMKX-QMMMGPOBSA-N 2 2 208.265 0.730 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCc2cn(C)c[nH+]2)CO1 ZINC000401915325 384279866 /nfs/dbraw/zinc/27/98/66/384279866.db2.gz WHVPTKTUVUOEJW-MWLCHTKSSA-N 2 2 209.293 0.730 20 0 BCADLP C[NH+](C)CCNC(=O)NCCCn1cc[nH+]c1 ZINC000133319192 384284522 /nfs/dbraw/zinc/28/45/22/384284522.db2.gz CFUNFVGHPFERCQ-UHFFFAOYSA-N 2 2 239.323 0.134 20 0 BCADLP CCCC[C@@H]([NH3+])C(=O)NCc1c[nH+]c[nH]1 ZINC000084081081 384361940 /nfs/dbraw/zinc/36/19/40/384361940.db2.gz LJIATZVFRGTPKT-SECBINFHSA-N 2 2 210.281 0.543 20 0 BCADLP CCCC[C@@H]([NH3+])C(=O)NCc1c[nH]c[nH+]1 ZINC000084081081 384361944 /nfs/dbraw/zinc/36/19/44/384361944.db2.gz LJIATZVFRGTPKT-SECBINFHSA-N 2 2 210.281 0.543 20 0 BCADLP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)c2[nH+]ccn21 ZINC000584243346 384327060 /nfs/dbraw/zinc/32/70/60/384327060.db2.gz XOFFKFCZSAMEGB-KXUCPTDWSA-N 2 2 249.318 0.550 20 0 BCADLP COC(=O)[C@@H]1CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000095020703 384327664 /nfs/dbraw/zinc/32/76/64/384327664.db2.gz XNPVHRMXJHXPIK-LLVKDONJSA-N 2 2 237.303 0.686 20 0 BCADLP COC(=O)[C@@H]1CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000095020703 384327671 /nfs/dbraw/zinc/32/76/71/384327671.db2.gz XNPVHRMXJHXPIK-LLVKDONJSA-N 2 2 237.303 0.686 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)CC(N)=O ZINC000308830119 384328255 /nfs/dbraw/zinc/32/82/55/384328255.db2.gz FXAJBAFMQJQIDP-DTWKUNHWSA-N 2 2 210.281 0.125 20 0 BCADLP C[NH2+]Cc1noc(-c2ccc(C[NH3+])o2)n1 ZINC000647172747 384427155 /nfs/dbraw/zinc/42/71/55/384427155.db2.gz HOCOSZFDWOEJEO-UHFFFAOYSA-N 2 2 208.221 0.508 20 0 BCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCCC1 ZINC000334178374 384376560 /nfs/dbraw/zinc/37/65/60/384376560.db2.gz AJRPQDDYFVKTQP-RYUDHWBXSA-N 2 2 237.347 0.150 20 0 BCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCCC1 ZINC000334178374 384376568 /nfs/dbraw/zinc/37/65/68/384376568.db2.gz AJRPQDDYFVKTQP-RYUDHWBXSA-N 2 2 237.347 0.150 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C(C)C)C1COC1 ZINC000566425956 384447510 /nfs/dbraw/zinc/44/75/10/384447510.db2.gz JOSXHPUVFRPFEG-GFCCVEGCSA-N 2 2 230.352 0.408 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C(C)C)C1COC1 ZINC000566425956 384447516 /nfs/dbraw/zinc/44/75/16/384447516.db2.gz JOSXHPUVFRPFEG-GFCCVEGCSA-N 2 2 230.352 0.408 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C(C)C)C1COC1 ZINC000566425956 384447521 /nfs/dbraw/zinc/44/75/21/384447521.db2.gz JOSXHPUVFRPFEG-GFCCVEGCSA-N 2 2 230.352 0.408 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C(C)C)C1COC1 ZINC000566425956 384447525 /nfs/dbraw/zinc/44/75/25/384447525.db2.gz JOSXHPUVFRPFEG-GFCCVEGCSA-N 2 2 230.352 0.408 20 0 BCADLP [NH3+]CCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000169809311 384497824 /nfs/dbraw/zinc/49/78/24/384497824.db2.gz YICVUYZIMBJRTG-SECBINFHSA-N 2 2 222.292 0.465 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000161854097 384535358 /nfs/dbraw/zinc/53/53/58/384535358.db2.gz ISZYSOWMFFIVMH-LBPRGKRZSA-N 3 2 222.336 0.767 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000161854097 384535361 /nfs/dbraw/zinc/53/53/61/384535361.db2.gz ISZYSOWMFFIVMH-LBPRGKRZSA-N 3 2 222.336 0.767 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249916168 384530877 /nfs/dbraw/zinc/53/08/77/384530877.db2.gz XLCALYBHJHNVCN-QWRGUYRKSA-N 2 2 248.330 0.689 20 0 BCADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249916168 384530880 /nfs/dbraw/zinc/53/08/80/384530880.db2.gz XLCALYBHJHNVCN-QWRGUYRKSA-N 2 2 248.330 0.689 20 0 BCADLP C([C@H]1CCC[NH2+]C1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000085540453 384533127 /nfs/dbraw/zinc/53/31/27/384533127.db2.gz KVLFVRJHNHTVQZ-SDDRHHMPSA-N 2 2 210.321 0.849 20 0 BCADLP C([C@H]1CCC[NH2+]C1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000085540453 384533135 /nfs/dbraw/zinc/53/31/35/384533135.db2.gz KVLFVRJHNHTVQZ-SDDRHHMPSA-N 2 2 210.321 0.849 20 0 BCADLP C[NH+]1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000080357138 384546341 /nfs/dbraw/zinc/54/63/41/384546341.db2.gz XPRRJFARPURYNF-UHFFFAOYSA-N 2 2 217.276 0.710 20 0 BCADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CCCC1 ZINC000306075455 384539849 /nfs/dbraw/zinc/53/98/49/384539849.db2.gz FTZNECKVKBPJEG-ZDUSSCGKSA-N 2 2 237.347 0.294 20 0 BCADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CCCC1 ZINC000306075455 384539854 /nfs/dbraw/zinc/53/98/54/384539854.db2.gz FTZNECKVKBPJEG-ZDUSSCGKSA-N 2 2 237.347 0.294 20 0 BCADLP Cc1cnn(CC[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000643065589 384576545 /nfs/dbraw/zinc/57/65/45/384576545.db2.gz CXLOMNSJKODBMO-CHWSQXEVSA-N 2 2 234.347 0.875 20 0 BCADLP Cc1cnn(CC[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000643065589 384576547 /nfs/dbraw/zinc/57/65/47/384576547.db2.gz CXLOMNSJKODBMO-CHWSQXEVSA-N 2 2 234.347 0.875 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643065814 384579472 /nfs/dbraw/zinc/57/94/72/384579472.db2.gz GWDZSJLPSBUSGD-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643065814 384579481 /nfs/dbraw/zinc/57/94/81/384579481.db2.gz GWDZSJLPSBUSGD-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP Cc1nnc(CC[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)s1 ZINC000309789841 384604425 /nfs/dbraw/zinc/60/44/25/384604425.db2.gz OYICCEALGKEFDK-PSASIEDQSA-N 2 2 240.376 0.929 20 0 BCADLP Cc1nnc(CC[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)s1 ZINC000309789841 384604431 /nfs/dbraw/zinc/60/44/31/384604431.db2.gz OYICCEALGKEFDK-PSASIEDQSA-N 2 2 240.376 0.929 20 0 BCADLP C[NH+](C)CCC[NH2+]Cc1ccc(CO)o1 ZINC000081546867 384622009 /nfs/dbraw/zinc/62/20/09/384622009.db2.gz QJQDFJWOXWDXPU-UHFFFAOYSA-N 2 2 212.293 0.813 20 0 BCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccco1 ZINC000037890658 384628699 /nfs/dbraw/zinc/62/86/99/384628699.db2.gz RUCBMYHIAGWWLV-ZJUUUORDSA-N 2 2 212.293 0.853 20 0 BCADLP CCn1cc[nH+]c1CNCC(F)(F)C[NH3+] ZINC000556938282 384667875 /nfs/dbraw/zinc/66/78/75/384667875.db2.gz NYKUXGIXHLJKDT-UHFFFAOYSA-N 2 2 218.251 0.587 20 0 BCADLP c1nc(N[C@@H]2CC[NH2+]C2)cc(N2CCOCC2)[nH+]1 ZINC000258703414 384636255 /nfs/dbraw/zinc/63/62/55/384636255.db2.gz RPTFOPGRFZRUQC-SNVBAGLBSA-N 2 2 249.318 0.087 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647532785 384640361 /nfs/dbraw/zinc/64/03/61/384640361.db2.gz DGPLWJLBTDQAHT-MNOVXSKESA-N 2 2 220.320 0.604 20 0 BCADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ncc[nH]2)C1 ZINC000044532680 384659584 /nfs/dbraw/zinc/65/95/84/384659584.db2.gz OEHUUIXMBGHJIF-JTQLQIEISA-N 2 2 208.309 0.841 20 0 BCADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ncc[nH]2)C1 ZINC000044532680 384659595 /nfs/dbraw/zinc/65/95/95/384659595.db2.gz OEHUUIXMBGHJIF-JTQLQIEISA-N 2 2 208.309 0.841 20 0 BCADLP [NH3+]CCC(=O)NCCCCn1cc[nH+]c1 ZINC000045107991 384661512 /nfs/dbraw/zinc/66/15/12/384661512.db2.gz DVCAAGNZSREJMD-UHFFFAOYSA-N 2 2 210.281 0.128 20 0 BCADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000647540016 384679768 /nfs/dbraw/zinc/67/97/68/384679768.db2.gz RJGFTHGMXOBIGU-RYUDHWBXSA-N 3 2 229.343 0.618 20 0 BCADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1CC1CC[NH2+]CC1 ZINC000647540016 384679773 /nfs/dbraw/zinc/67/97/73/384679773.db2.gz RJGFTHGMXOBIGU-RYUDHWBXSA-N 3 2 229.343 0.618 20 0 BCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccco1 ZINC000125911130 384717772 /nfs/dbraw/zinc/71/77/72/384717772.db2.gz CMSOAFHMMWTEIZ-NSHDSACASA-N 2 2 212.293 0.682 20 0 BCADLP C[C@H](CC(=O)N1CC[NH2+]CC1)n1cc[nH+]c1 ZINC000082651982 384774297 /nfs/dbraw/zinc/77/42/97/384774297.db2.gz PNVAXSCMIRPEDT-SNVBAGLBSA-N 2 2 222.292 0.266 20 0 BCADLP C[C@@H](C[S@](C)=O)[N@H+](C)CCn1cc[nH+]c1 ZINC000126161685 384775428 /nfs/dbraw/zinc/77/54/28/384775428.db2.gz RBAUNTKRIAKCLR-ZUZCIYMTSA-N 2 2 229.349 0.582 20 0 BCADLP C[C@@H](C[S@](C)=O)[N@@H+](C)CCn1cc[nH+]c1 ZINC000126161685 384775437 /nfs/dbraw/zinc/77/54/37/384775437.db2.gz RBAUNTKRIAKCLR-ZUZCIYMTSA-N 2 2 229.349 0.582 20 0 BCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCC[NH2+]1 ZINC000053253732 384778661 /nfs/dbraw/zinc/77/86/61/384778661.db2.gz MXGIIOAQAAZTON-JTQLQIEISA-N 2 2 222.292 0.141 20 0 BCADLP C[C@@]1(C[NH2+]C[C@H]2CCCC[NH2+]2)CC[NH2+]C1 ZINC000647546530 384731271 /nfs/dbraw/zinc/73/12/71/384731271.db2.gz OBRCRXWLKGLBFA-VXGBXAGGSA-N 3 2 211.353 0.718 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000647546816 384733872 /nfs/dbraw/zinc/73/38/72/384733872.db2.gz CQCLIEKUQGEONU-NNYUYHANSA-N 3 2 211.353 0.572 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000647547415 384736027 /nfs/dbraw/zinc/73/60/27/384736027.db2.gz VOPCNIACCURKTO-XQQFMLRXSA-N 3 2 225.380 0.964 20 0 BCADLP C[NH+]1CCC([NH2+]CC2(S(C)(=O)=O)CC2)CC1 ZINC000309966430 384745674 /nfs/dbraw/zinc/74/56/74/384745674.db2.gz NQJQXHNXAWEGRP-UHFFFAOYSA-N 2 2 246.376 0.247 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647549742 384746121 /nfs/dbraw/zinc/74/61/21/384746121.db2.gz OUBAXFKOCVEHIR-AXFHLTTASA-N 2 2 223.324 0.254 20 0 BCADLP C1[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C12CC[NH2+]CC2 ZINC000647547876 384750249 /nfs/dbraw/zinc/75/02/49/384750249.db2.gz JURPRBZPELXCIE-WDEREUQCSA-N 3 2 209.337 0.470 20 0 BCADLP Cc1ccoc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000125900222 384755031 /nfs/dbraw/zinc/75/50/31/384755031.db2.gz DGJIXTFQSFVUEV-GFCCVEGCSA-N 2 2 226.320 0.990 20 0 BCADLP CCOC(=O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601327228 384765683 /nfs/dbraw/zinc/76/56/83/384765683.db2.gz SWBDJQIPGPQVCB-DTWKUNHWSA-N 2 2 200.282 0.076 20 0 BCADLP CCOC(=O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601327228 384765692 /nfs/dbraw/zinc/76/56/92/384765692.db2.gz SWBDJQIPGPQVCB-DTWKUNHWSA-N 2 2 200.282 0.076 20 0 BCADLP CC[C@H](CCO)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000308577593 384819218 /nfs/dbraw/zinc/81/92/18/384819218.db2.gz FCSNRZYRHWPUGT-AXFHLTTASA-N 2 2 200.326 0.687 20 0 BCADLP CC[C@H](CCO)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000308577593 384819224 /nfs/dbraw/zinc/81/92/24/384819224.db2.gz FCSNRZYRHWPUGT-AXFHLTTASA-N 2 2 200.326 0.687 20 0 BCADLP C[NH+](C)Cc1cnc(C[NH2+]CCO)s1 ZINC000308576421 384822259 /nfs/dbraw/zinc/82/22/59/384822259.db2.gz DOSDLIQIDCOONU-UHFFFAOYSA-N 2 2 215.322 0.287 20 0 BCADLP C[C@H](C[S@](C)=O)[N@H+](C)CCCn1cc[nH+]c1 ZINC000126290909 384786690 /nfs/dbraw/zinc/78/66/90/384786690.db2.gz LJQXTUMPDGEZNJ-BDJLRTHQSA-N 2 2 243.376 0.972 20 0 BCADLP C[C@H](C[S@](C)=O)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000126290909 384786697 /nfs/dbraw/zinc/78/66/97/384786697.db2.gz LJQXTUMPDGEZNJ-BDJLRTHQSA-N 2 2 243.376 0.972 20 0 BCADLP C[C@@H](C[S@](C)=O)[N@H+](C)CCCn1cc[nH+]c1 ZINC000126290702 384788398 /nfs/dbraw/zinc/78/83/98/384788398.db2.gz LJQXTUMPDGEZNJ-MEDUHNTESA-N 2 2 243.376 0.972 20 0 BCADLP C[C@@H](C[S@](C)=O)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000126290702 384788403 /nfs/dbraw/zinc/78/84/03/384788403.db2.gz LJQXTUMPDGEZNJ-MEDUHNTESA-N 2 2 243.376 0.972 20 0 BCADLP C[N@@H+]1CCN(C(=O)C2CCCCC2)[C@H](C[NH3+])C1 ZINC000122615332 384789956 /nfs/dbraw/zinc/78/99/56/384789956.db2.gz LLZXUJRPXYVURT-GFCCVEGCSA-N 2 2 239.363 0.668 20 0 BCADLP C[N@H+]1CCN(C(=O)C2CCCCC2)[C@H](C[NH3+])C1 ZINC000122615332 384789964 /nfs/dbraw/zinc/78/99/64/384789964.db2.gz LLZXUJRPXYVURT-GFCCVEGCSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC000222006939 384836454 /nfs/dbraw/zinc/83/64/54/384836454.db2.gz CLMOQOKUPDTURS-AXFHLTTASA-N 2 2 227.352 0.535 20 0 BCADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC000222006939 384836456 /nfs/dbraw/zinc/83/64/56/384836456.db2.gz CLMOQOKUPDTURS-AXFHLTTASA-N 2 2 227.352 0.535 20 0 BCADLP Cn1cc(CC[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)cn1 ZINC000300017079 384871374 /nfs/dbraw/zinc/87/13/74/384871374.db2.gz QOXGPYXTWHVPMY-QWHCGFSZSA-N 2 2 234.347 0.646 20 0 BCADLP Cn1cc(CC[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)cn1 ZINC000300017079 384871383 /nfs/dbraw/zinc/87/13/83/384871383.db2.gz QOXGPYXTWHVPMY-QWHCGFSZSA-N 2 2 234.347 0.646 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]C[C@@H]1C[C@H]1C ZINC000308626047 384876645 /nfs/dbraw/zinc/87/66/45/384876645.db2.gz WINFHVFBQNTGQD-MNOVXSKESA-N 2 2 200.326 0.546 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]C[C@@H]1C[C@H]1C ZINC000308626047 384876649 /nfs/dbraw/zinc/87/66/49/384876649.db2.gz WINFHVFBQNTGQD-MNOVXSKESA-N 2 2 200.326 0.546 20 0 BCADLP C[N@H+](Cc1nc(C[NH3+])no1)[C@H]1CCSC1 ZINC000568390678 384877937 /nfs/dbraw/zinc/87/79/37/384877937.db2.gz CGWMZDXLLGBJFB-ZETCQYMHSA-N 2 2 228.321 0.466 20 0 BCADLP C[N@@H+](Cc1nc(C[NH3+])no1)[C@H]1CCSC1 ZINC000568390678 384877944 /nfs/dbraw/zinc/87/79/44/384877944.db2.gz CGWMZDXLLGBJFB-ZETCQYMHSA-N 2 2 228.321 0.466 20 0 BCADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000301034543 384841948 /nfs/dbraw/zinc/84/19/48/384841948.db2.gz STHHAOBEGMGBHL-AXFHLTTASA-N 2 2 200.326 0.951 20 0 BCADLP C[C@@H]1[C@H](C)N(C(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC000557151382 384845559 /nfs/dbraw/zinc/84/55/59/384845559.db2.gz FWCGSVDWFUOLTB-MNOVXSKESA-N 2 2 236.319 0.434 20 0 BCADLP C[C@@H]1[C@H](C)N(C(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000557151382 384845563 /nfs/dbraw/zinc/84/55/63/384845563.db2.gz FWCGSVDWFUOLTB-MNOVXSKESA-N 2 2 236.319 0.434 20 0 BCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000557151383 384846980 /nfs/dbraw/zinc/84/69/80/384846980.db2.gz FWCGSVDWFUOLTB-QWRGUYRKSA-N 2 2 236.319 0.434 20 0 BCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000557151383 384846986 /nfs/dbraw/zinc/84/69/86/384846986.db2.gz FWCGSVDWFUOLTB-QWRGUYRKSA-N 2 2 236.319 0.434 20 0 BCADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423379336 384848611 /nfs/dbraw/zinc/84/86/11/384848611.db2.gz XEXITHFQPPIKLN-QCNOEVLYSA-N 3 2 211.353 0.986 20 0 BCADLP Cn1ccc(C[NH2+]CCn2cc[nH+]c2)n1 ZINC000112338440 384852455 /nfs/dbraw/zinc/85/24/55/384852455.db2.gz ZCHPBIQHGUDLCG-UHFFFAOYSA-N 2 2 205.265 0.406 20 0 BCADLP CC[NH+]1CCC([NH2+]CC2([S@](C)=O)CC2)CC1 ZINC000336756948 384861793 /nfs/dbraw/zinc/86/17/93/384861793.db2.gz HHLWSBJLNFXLMP-INIZCTEOSA-N 2 2 244.404 0.971 20 0 BCADLP CCCCOC[C@H](O)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000644547773 384949341 /nfs/dbraw/zinc/94/93/41/384949341.db2.gz RHIPHIUQRLUAKR-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP CCCCOC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000644547773 384949348 /nfs/dbraw/zinc/94/93/48/384949348.db2.gz RHIPHIUQRLUAKR-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP CC(C)OC[C@@H](O)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000644547938 384952078 /nfs/dbraw/zinc/95/20/78/384952078.db2.gz HFNCFGYOTVIAOQ-NEPJUHHUSA-N 2 2 230.352 0.456 20 0 BCADLP CC(C)OC[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000644547938 384952082 /nfs/dbraw/zinc/95/20/82/384952082.db2.gz HFNCFGYOTVIAOQ-NEPJUHHUSA-N 2 2 230.352 0.456 20 0 BCADLP CC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CCOC ZINC000644546367 384954725 /nfs/dbraw/zinc/95/47/25/384954725.db2.gz DNKUWJHTOGHTOI-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP CC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CCOC ZINC000644546367 384954729 /nfs/dbraw/zinc/95/47/29/384954729.db2.gz DNKUWJHTOGHTOI-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP Fc1cccc(C[NH2+]C[C@H]2C[NH2+]CCO2)c1 ZINC000259018718 384955296 /nfs/dbraw/zinc/95/52/96/384955296.db2.gz YEHXXMRZDGSLFS-GFCCVEGCSA-N 2 2 224.279 0.904 20 0 BCADLP Fc1ccccc1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000258973352 384955549 /nfs/dbraw/zinc/95/55/49/384955549.db2.gz TYHSYIFJVMMDQV-LLVKDONJSA-N 2 2 224.279 0.904 20 0 BCADLP CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1CC1 ZINC000381042249 384897712 /nfs/dbraw/zinc/89/77/12/384897712.db2.gz GHJZTCRSIBGCTL-LBPRGKRZSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1CC1 ZINC000381042249 384897718 /nfs/dbraw/zinc/89/77/18/384897718.db2.gz GHJZTCRSIBGCTL-LBPRGKRZSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1CC1 ZINC000381042249 384897726 /nfs/dbraw/zinc/89/77/26/384897726.db2.gz GHJZTCRSIBGCTL-LBPRGKRZSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1CC1 ZINC000381042249 384897735 /nfs/dbraw/zinc/89/77/35/384897735.db2.gz GHJZTCRSIBGCTL-LBPRGKRZSA-N 2 2 230.352 0.410 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)CO1 ZINC000647203516 384924136 /nfs/dbraw/zinc/92/41/36/384924136.db2.gz IIHDJSQQNYTGKO-MXWKQRLJSA-N 2 2 221.304 0.965 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000257744926 384924835 /nfs/dbraw/zinc/92/48/35/384924835.db2.gz DQVWIRSTXWFLEH-NEPJUHHUSA-N 2 2 227.352 0.130 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000257744926 384924841 /nfs/dbraw/zinc/92/48/41/384924841.db2.gz DQVWIRSTXWFLEH-NEPJUHHUSA-N 2 2 227.352 0.130 20 0 BCADLP Cn1cnc2c1CC[N@H+](CCn1cc[nH+]c1)C2 ZINC000364060599 384930642 /nfs/dbraw/zinc/93/06/42/384930642.db2.gz WIXYPXIFJHHWIJ-UHFFFAOYSA-N 2 2 231.303 0.675 20 0 BCADLP Cn1cnc2c1CC[N@@H+](CCn1cc[nH+]c1)C2 ZINC000364060599 384930647 /nfs/dbraw/zinc/93/06/47/384930647.db2.gz WIXYPXIFJHHWIJ-UHFFFAOYSA-N 2 2 231.303 0.675 20 0 BCADLP C[NH+](C)[C@H]1CCC[N@@H+]([C@H]2CCCNC2=O)CC1 ZINC000336292191 384964818 /nfs/dbraw/zinc/96/48/18/384964818.db2.gz IYXSYFSGHKIICK-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP C[NH+](C)[C@H]1CCC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC000336292191 384964824 /nfs/dbraw/zinc/96/48/24/384964824.db2.gz IYXSYFSGHKIICK-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](C)O ZINC000644569412 384965269 /nfs/dbraw/zinc/96/52/69/384965269.db2.gz OFSASFPVSQLOER-GHMZBOCLSA-N 2 2 200.326 0.831 20 0 BCADLP CCOC[C@@H](O)C[NH2+][C@@H](CC)C[NH+]1CCCC1 ZINC000644569440 384966845 /nfs/dbraw/zinc/96/68/45/384966845.db2.gz PLWUFURQMUJSCF-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP CCSCC[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000128965809 384971116 /nfs/dbraw/zinc/97/11/16/384971116.db2.gz OWBQVIFMRMVSGS-LLVKDONJSA-N 2 2 231.409 0.575 20 0 BCADLP CCSCC[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000128965809 384971121 /nfs/dbraw/zinc/97/11/21/384971121.db2.gz OWBQVIFMRMVSGS-LLVKDONJSA-N 2 2 231.409 0.575 20 0 BCADLP C[NH2+]CC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000037008455 384988550 /nfs/dbraw/zinc/98/85/50/384988550.db2.gz RVAPREFYHZMOGT-UHFFFAOYSA-N 2 2 248.330 0.386 20 0 BCADLP O[C@H](C[NH2+]Cc1ccns1)C[NH+]1CCCC1 ZINC000404452729 384999616 /nfs/dbraw/zinc/99/96/16/384999616.db2.gz ZOZBAKNXVKCNKH-SNVBAGLBSA-N 2 2 241.360 0.689 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261562079 385019144 /nfs/dbraw/zinc/01/91/44/385019144.db2.gz VZOGLXZCBIZLCR-JTQLQIEISA-N 2 2 236.319 0.569 20 0 BCADLP CC[C@H](COC)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000308742475 385049430 /nfs/dbraw/zinc/04/94/30/385049430.db2.gz PPSNIRCWDPVQPC-GMTAPVOTSA-N 2 2 200.326 0.951 20 0 BCADLP CC[C@H](COC)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000308742475 385049434 /nfs/dbraw/zinc/04/94/34/385049434.db2.gz PPSNIRCWDPVQPC-GMTAPVOTSA-N 2 2 200.326 0.951 20 0 BCADLP C[NH2+][C@@H]1CCC[N@H+](CCn2cccn2)C1 ZINC000053204604 385074395 /nfs/dbraw/zinc/07/43/95/385074395.db2.gz HAGWVUQDVLAUKI-LLVKDONJSA-N 2 2 208.309 0.567 20 0 BCADLP C[NH2+][C@@H]1CCC[N@@H+](CCn2cccn2)C1 ZINC000053204604 385074400 /nfs/dbraw/zinc/07/44/00/385074400.db2.gz HAGWVUQDVLAUKI-LLVKDONJSA-N 2 2 208.309 0.567 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227070358 385085032 /nfs/dbraw/zinc/08/50/32/385085032.db2.gz VQZWQXJTHZMFSM-QWRGUYRKSA-N 2 2 227.352 0.524 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227070358 385085036 /nfs/dbraw/zinc/08/50/36/385085036.db2.gz VQZWQXJTHZMFSM-QWRGUYRKSA-N 2 2 227.352 0.524 20 0 BCADLP C[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000644633064 385034815 /nfs/dbraw/zinc/03/48/15/385034815.db2.gz NWWLMKSECTXVQB-PWSUYJOCSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000644633064 385034820 /nfs/dbraw/zinc/03/48/20/385034820.db2.gz NWWLMKSECTXVQB-PWSUYJOCSA-N 2 2 212.337 0.974 20 0 BCADLP CC[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@H]1C)OC ZINC000308762956 385083378 /nfs/dbraw/zinc/08/33/78/385083378.db2.gz ZAAOPWQRIWFZEH-MXWKQRLJSA-N 2 2 200.326 0.951 20 0 BCADLP CC[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)OC ZINC000308762956 385083383 /nfs/dbraw/zinc/08/33/83/385083383.db2.gz ZAAOPWQRIWFZEH-MXWKQRLJSA-N 2 2 200.326 0.951 20 0 BCADLP [NH3+]CC1(C(=O)NCCc2[nH]cc[nH+]2)CCCC1 ZINC000157256988 385117202 /nfs/dbraw/zinc/11/72/02/385117202.db2.gz LORFDBBMDUDYHD-UHFFFAOYSA-N 2 2 236.319 0.588 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000280167972 385202025 /nfs/dbraw/zinc/20/20/25/385202025.db2.gz OQLMQIUGXHDHKT-LLVKDONJSA-N 2 2 236.319 0.553 20 0 BCADLP C[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000280167972 385202031 /nfs/dbraw/zinc/20/20/31/385202031.db2.gz OQLMQIUGXHDHKT-LLVKDONJSA-N 2 2 236.319 0.553 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000280167972 385202037 /nfs/dbraw/zinc/20/20/37/385202037.db2.gz OQLMQIUGXHDHKT-LLVKDONJSA-N 2 2 236.319 0.553 20 0 BCADLP C[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000280167972 385202039 /nfs/dbraw/zinc/20/20/39/385202039.db2.gz OQLMQIUGXHDHKT-LLVKDONJSA-N 2 2 236.319 0.553 20 0 BCADLP CCN(CC)C(=O)C[N@H+](C)CCn1cc[nH+]c1 ZINC000152651521 385202471 /nfs/dbraw/zinc/20/24/71/385202471.db2.gz NVKUYSHOCBHQDV-UHFFFAOYSA-N 2 2 238.335 0.683 20 0 BCADLP CCN(CC)C(=O)C[N@@H+](C)CCn1cc[nH+]c1 ZINC000152651521 385202480 /nfs/dbraw/zinc/20/24/80/385202480.db2.gz NVKUYSHOCBHQDV-UHFFFAOYSA-N 2 2 238.335 0.683 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157308543 385144430 /nfs/dbraw/zinc/14/44/30/385144430.db2.gz GUXVJMUNMDZMRU-NEPJUHHUSA-N 2 2 239.363 0.811 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157308543 385144435 /nfs/dbraw/zinc/14/44/35/385144435.db2.gz GUXVJMUNMDZMRU-NEPJUHHUSA-N 2 2 239.363 0.811 20 0 BCADLP CN1CCC[C@@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000107801917 385212541 /nfs/dbraw/zinc/21/25/41/385212541.db2.gz NAHAPTSGXSTWGV-GFCCVEGCSA-N 2 2 211.353 0.764 20 0 BCADLP C[C@@H](O)[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000166115481 385221560 /nfs/dbraw/zinc/22/15/60/385221560.db2.gz RMTGWDCEFRSMEY-NEPJUHHUSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H](O)[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000166115481 385221567 /nfs/dbraw/zinc/22/15/67/385221567.db2.gz RMTGWDCEFRSMEY-NEPJUHHUSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC[NH+](C)C ZINC000252716537 385226772 /nfs/dbraw/zinc/22/67/72/385226772.db2.gz YSCZKPPXZQUTQB-VXGBXAGGSA-N 3 2 213.369 0.868 20 0 BCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC[NH+](C)C ZINC000252716537 385226779 /nfs/dbraw/zinc/22/67/79/385226779.db2.gz YSCZKPPXZQUTQB-VXGBXAGGSA-N 3 2 213.369 0.868 20 0 BCADLP C[N@@H+](Cc1ccc2ccccc2n1)C[C@@H](O)C[NH3+] ZINC000310978714 385261828 /nfs/dbraw/zinc/26/18/28/385261828.db2.gz QRMFBSTUMGTKNZ-ZDUSSCGKSA-N 2 2 245.326 0.986 20 0 BCADLP C[N@H+](Cc1ccc2ccccc2n1)C[C@@H](O)C[NH3+] ZINC000310978714 385261835 /nfs/dbraw/zinc/26/18/35/385261835.db2.gz QRMFBSTUMGTKNZ-ZDUSSCGKSA-N 2 2 245.326 0.986 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647492724 385300572 /nfs/dbraw/zinc/30/05/72/385300572.db2.gz VIOZFBOWIBMSAE-CYBMUJFWSA-N 3 2 242.411 0.197 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647492724 385300576 /nfs/dbraw/zinc/30/05/76/385300576.db2.gz VIOZFBOWIBMSAE-CYBMUJFWSA-N 3 2 242.411 0.197 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000517036160 385331631 /nfs/dbraw/zinc/33/16/31/385331631.db2.gz XBWAZLSGOVINNL-OLZOCXBDSA-N 3 2 243.395 0.230 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000517036160 385331633 /nfs/dbraw/zinc/33/16/33/385331633.db2.gz XBWAZLSGOVINNL-OLZOCXBDSA-N 3 2 243.395 0.230 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000517036160 385331639 /nfs/dbraw/zinc/33/16/39/385331639.db2.gz XBWAZLSGOVINNL-OLZOCXBDSA-N 3 2 243.395 0.230 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000517036160 385331641 /nfs/dbraw/zinc/33/16/41/385331641.db2.gz XBWAZLSGOVINNL-OLZOCXBDSA-N 3 2 243.395 0.230 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CC[NH+]1CCCCC1 ZINC000308999160 385331825 /nfs/dbraw/zinc/33/18/25/385331825.db2.gz NMJQGDXUZMSEES-JTQLQIEISA-N 2 2 213.325 0.326 20 0 BCADLP C[C@H](C(N)=O)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793446 385336275 /nfs/dbraw/zinc/33/62/75/385336275.db2.gz UBGBQYNJONBEHH-SECBINFHSA-N 2 2 222.292 0.394 20 0 BCADLP CCNC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000158068699 385337322 /nfs/dbraw/zinc/33/73/22/385337322.db2.gz JPNIXKBEXPPYAD-NSHDSACASA-N 2 2 227.352 0.396 20 0 BCADLP CCNC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000158068699 385337327 /nfs/dbraw/zinc/33/73/27/385337327.db2.gz JPNIXKBEXPPYAD-NSHDSACASA-N 2 2 227.352 0.396 20 0 BCADLP CCNC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000158068699 385337333 /nfs/dbraw/zinc/33/73/33/385337333.db2.gz JPNIXKBEXPPYAD-NSHDSACASA-N 2 2 227.352 0.396 20 0 BCADLP CCNC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000158068699 385337338 /nfs/dbraw/zinc/33/73/38/385337338.db2.gz JPNIXKBEXPPYAD-NSHDSACASA-N 2 2 227.352 0.396 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000158065584 385337704 /nfs/dbraw/zinc/33/77/04/385337704.db2.gz ZADSUASUHUWQQT-VXGBXAGGSA-N 2 2 241.379 0.737 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000158065584 385337706 /nfs/dbraw/zinc/33/77/06/385337706.db2.gz ZADSUASUHUWQQT-VXGBXAGGSA-N 2 2 241.379 0.737 20 0 BCADLP C[C@H](C(=O)N(C)C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000158065584 385337711 /nfs/dbraw/zinc/33/77/11/385337711.db2.gz ZADSUASUHUWQQT-VXGBXAGGSA-N 2 2 241.379 0.737 20 0 BCADLP C[C@H](C(=O)N(C)C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000158065584 385337715 /nfs/dbraw/zinc/33/77/15/385337715.db2.gz ZADSUASUHUWQQT-VXGBXAGGSA-N 2 2 241.379 0.737 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000644733244 385338319 /nfs/dbraw/zinc/33/83/19/385338319.db2.gz NILLQEHJYDYLES-CMPLNLGQSA-N 2 2 220.320 0.556 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000644733244 385338326 /nfs/dbraw/zinc/33/83/26/385338326.db2.gz NILLQEHJYDYLES-CMPLNLGQSA-N 2 2 220.320 0.556 20 0 BCADLP [NH3+]C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)C1CC1 ZINC000178168116 385341130 /nfs/dbraw/zinc/34/11/30/385341130.db2.gz SQXCTLIONLPBRK-NSHDSACASA-N 2 2 244.298 0.801 20 0 BCADLP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@H]1CCOC1 ZINC000390487273 385342830 /nfs/dbraw/zinc/34/28/30/385342830.db2.gz OAKCRWGEEYKTTD-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@H]1CCOC1 ZINC000390487273 385342837 /nfs/dbraw/zinc/34/28/37/385342837.db2.gz OAKCRWGEEYKTTD-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](CC)[C@H]1CCOC1 ZINC000390487273 385342843 /nfs/dbraw/zinc/34/28/43/385342843.db2.gz OAKCRWGEEYKTTD-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](CC)[C@H]1CCOC1 ZINC000390487273 385342848 /nfs/dbraw/zinc/34/28/48/385342848.db2.gz OAKCRWGEEYKTTD-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP C[NH+](C)CC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000309030900 385379798 /nfs/dbraw/zinc/37/97/98/385379798.db2.gz DQFSTUQOWVODCV-VIFPVBQESA-N 2 2 213.325 0.195 20 0 BCADLP C[C@@H]([NH3+])CCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000193302233 385391877 /nfs/dbraw/zinc/39/18/77/385391877.db2.gz LTVZQVFGAAKWKD-GHMZBOCLSA-N 2 2 238.335 0.763 20 0 BCADLP Cc1nnc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)[nH]1 ZINC000405248484 385398691 /nfs/dbraw/zinc/39/86/91/385398691.db2.gz BMHXZNASSOPJED-XVYDVKMFSA-N 2 2 223.324 0.890 20 0 BCADLP C[C@@H]([NH3+])CCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000178615484 385398816 /nfs/dbraw/zinc/39/88/16/385398816.db2.gz NXHXDGFDGOOIRX-SNVBAGLBSA-N 2 2 246.314 0.730 20 0 BCADLP Cc1nnc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)[nH]1 ZINC000405248482 385398860 /nfs/dbraw/zinc/39/88/60/385398860.db2.gz BMHXZNASSOPJED-NBEYISGCSA-N 2 2 223.324 0.890 20 0 BCADLP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000309092601 385414486 /nfs/dbraw/zinc/41/44/86/385414486.db2.gz CRABQJVUWZLJJT-IRCOFANPSA-N 2 2 214.353 0.933 20 0 BCADLP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000309092601 385414489 /nfs/dbraw/zinc/41/44/89/385414489.db2.gz CRABQJVUWZLJJT-IRCOFANPSA-N 2 2 214.353 0.933 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)CC[N@@H+]1C ZINC000155853046 385418978 /nfs/dbraw/zinc/41/89/78/385418978.db2.gz NVGCPYRMTYIQKV-KOLCDFICSA-N 2 2 225.336 0.337 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)CC[N@H+]1C ZINC000155853046 385418985 /nfs/dbraw/zinc/41/89/85/385418985.db2.gz NVGCPYRMTYIQKV-KOLCDFICSA-N 2 2 225.336 0.337 20 0 BCADLP C[C@H]1c2nncn2CC[N@H+]1CCCn1cc[nH+]c1 ZINC000362072453 385419812 /nfs/dbraw/zinc/41/98/12/385419812.db2.gz NIFZXTJYMAIKGE-NSHDSACASA-N 2 2 246.318 0.942 20 0 BCADLP C[C@H]1c2nncn2CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000362072453 385419817 /nfs/dbraw/zinc/41/98/17/385419817.db2.gz NIFZXTJYMAIKGE-NSHDSACASA-N 2 2 246.318 0.942 20 0 BCADLP COCC[C@H](CO)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000336715052 385429181 /nfs/dbraw/zinc/42/91/81/385429181.db2.gz SLWWBPTZUZAWAM-QJPTWQEYSA-N 2 2 242.363 0.599 20 0 BCADLP COCC[C@H](CO)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000336715052 385429185 /nfs/dbraw/zinc/42/91/85/385429185.db2.gz SLWWBPTZUZAWAM-QJPTWQEYSA-N 2 2 242.363 0.599 20 0 BCADLP C[C@]1(O)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182819535 385479574 /nfs/dbraw/zinc/47/95/74/385479574.db2.gz OYUMNKZYRMCACU-NSHDSACASA-N 2 2 209.293 0.730 20 0 BCADLP C[C@]1(O)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182819535 385479577 /nfs/dbraw/zinc/47/95/77/385479577.db2.gz OYUMNKZYRMCACU-NSHDSACASA-N 2 2 209.293 0.730 20 0 BCADLP C[NH+](C)C[C@H]1CCN(Cc2c[nH+]c[nH]2)C1 ZINC000179633983 385479871 /nfs/dbraw/zinc/47/98/71/385479871.db2.gz KNEXXJMEGHIUJP-SNVBAGLBSA-N 2 2 208.309 0.793 20 0 BCADLP C[C@@H](C[NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000644150301 385544363 /nfs/dbraw/zinc/54/43/63/385544363.db2.gz FXXUKKOKPFPAOZ-QWRGUYRKSA-N 2 2 248.330 0.371 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC000643045968 385553246 /nfs/dbraw/zinc/55/32/46/385553246.db2.gz UQLOMLPBEXSNDL-BDAKNGLRSA-N 2 2 235.335 0.612 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000643045968 385553249 /nfs/dbraw/zinc/55/32/49/385553249.db2.gz UQLOMLPBEXSNDL-BDAKNGLRSA-N 2 2 235.335 0.612 20 0 BCADLP C[C@H]([NH3+])[C@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC000643045970 385553326 /nfs/dbraw/zinc/55/33/26/385553326.db2.gz UQLOMLPBEXSNDL-IUCAKERBSA-N 2 2 235.335 0.612 20 0 BCADLP C[C@H]([NH3+])[C@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000643045970 385553329 /nfs/dbraw/zinc/55/33/29/385553329.db2.gz UQLOMLPBEXSNDL-IUCAKERBSA-N 2 2 235.335 0.612 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CCC([NH3+])CC1 ZINC000493388073 385571253 /nfs/dbraw/zinc/57/12/53/385571253.db2.gz NHMQDZTTXJZBDY-ARJAWSKDSA-N 2 2 248.330 0.866 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000309475038 385597385 /nfs/dbraw/zinc/59/73/85/385597385.db2.gz RSYSLWQZFOQACB-KOLCDFICSA-N 2 2 245.392 0.277 20 0 BCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493845741 385628855 /nfs/dbraw/zinc/62/88/55/385628855.db2.gz DGCSOZOFOSEHPO-WYGGZMRJSA-N 2 2 248.330 0.976 20 0 BCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493845741 385628862 /nfs/dbraw/zinc/62/88/62/385628862.db2.gz DGCSOZOFOSEHPO-WYGGZMRJSA-N 2 2 248.330 0.976 20 0 BCADLP C[C@@H](Cn1cccn1)[NH2+]Cc1c[nH+]c[nH]1 ZINC000054764947 385656971 /nfs/dbraw/zinc/65/69/71/385656971.db2.gz ZOVMFRVWTJVVTE-VIFPVBQESA-N 2 2 205.265 0.785 20 0 BCADLP CCSCC[NH2+]CC[N@H+](CC)CCO ZINC000336653485 385681523 /nfs/dbraw/zinc/68/15/23/385681523.db2.gz LKZQNYPIZFYDNS-UHFFFAOYSA-N 2 2 220.382 0.643 20 0 BCADLP CCSCC[NH2+]CC[N@@H+](CC)CCO ZINC000336653485 385681526 /nfs/dbraw/zinc/68/15/26/385681526.db2.gz LKZQNYPIZFYDNS-UHFFFAOYSA-N 2 2 220.382 0.643 20 0 BCADLP C[N@@H+](Cc1cccc(F)c1F)C[C@H](O)C[NH3+] ZINC000336735247 385688114 /nfs/dbraw/zinc/68/81/14/385688114.db2.gz HWTTWVRRCIBEEB-SECBINFHSA-N 2 2 230.258 0.716 20 0 BCADLP C[N@H+](Cc1cccc(F)c1F)C[C@H](O)C[NH3+] ZINC000336735247 385688118 /nfs/dbraw/zinc/68/81/18/385688118.db2.gz HWTTWVRRCIBEEB-SECBINFHSA-N 2 2 230.258 0.716 20 0 BCADLP CC(C)C(=O)NCC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000309594113 385717679 /nfs/dbraw/zinc/71/76/79/385717679.db2.gz HWKSJHSINXVYCI-GHMZBOCLSA-N 2 2 227.352 0.298 20 0 BCADLP CC(C)C(=O)NCC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000309594113 385717682 /nfs/dbraw/zinc/71/76/82/385717682.db2.gz HWKSJHSINXVYCI-GHMZBOCLSA-N 2 2 227.352 0.298 20 0 BCADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cnn(C)c1 ZINC000414854782 385697054 /nfs/dbraw/zinc/69/70/54/385697054.db2.gz VMDFBQGQYJBLLA-NSHDSACASA-N 2 2 210.325 0.883 20 0 BCADLP C[C@H](C[NH2+]Cc1cnnn1C)C[NH+](C)C ZINC000336687217 385703231 /nfs/dbraw/zinc/70/32/31/385703231.db2.gz LHZSWOONVKZNJS-SECBINFHSA-N 2 2 211.313 0.102 20 0 BCADLP COC[C@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000182795990 385706809 /nfs/dbraw/zinc/70/68/09/385706809.db2.gz QJNHIEYDKZULQE-GFCCVEGCSA-N 2 2 239.319 0.620 20 0 BCADLP COC[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000182795990 385706817 /nfs/dbraw/zinc/70/68/17/385706817.db2.gz QJNHIEYDKZULQE-GFCCVEGCSA-N 2 2 239.319 0.620 20 0 BCADLP C[NH+](C)CC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000340115731 385707997 /nfs/dbraw/zinc/70/79/97/385707997.db2.gz IBVWTERLOKILII-UHFFFAOYSA-N 2 2 236.319 0.608 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)[C@H]1C ZINC000336689100 385715150 /nfs/dbraw/zinc/71/51/50/385715150.db2.gz WAHDAEICGRJLGX-XQHKEYJVSA-N 2 2 225.380 0.866 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)[C@H]1C ZINC000336689100 385715153 /nfs/dbraw/zinc/71/51/53/385715153.db2.gz WAHDAEICGRJLGX-XQHKEYJVSA-N 2 2 225.380 0.866 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)CC1(CO)CC1 ZINC000186759253 385788207 /nfs/dbraw/zinc/78/82/07/385788207.db2.gz DAJRFEWHQVLUFU-UHFFFAOYSA-N 2 2 209.293 0.587 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)CC1(CO)CC1 ZINC000186759253 385788210 /nfs/dbraw/zinc/78/82/10/385788210.db2.gz DAJRFEWHQVLUFU-UHFFFAOYSA-N 2 2 209.293 0.587 20 0 BCADLP Fc1cnccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000648385255 385743714 /nfs/dbraw/zinc/74/37/14/385743714.db2.gz VWADECGMCYGBFU-PHIMTYICSA-N 2 2 221.279 0.872 20 0 BCADLP Fc1cnccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000648385255 385743719 /nfs/dbraw/zinc/74/37/19/385743719.db2.gz VWADECGMCYGBFU-PHIMTYICSA-N 2 2 221.279 0.872 20 0 BCADLP CC[C@H]1C(=O)NCC[N@H+]1CCn1cc[nH+]c1C ZINC000270831079 385751614 /nfs/dbraw/zinc/75/16/14/385751614.db2.gz CWQIFSAMRMUAOA-NSHDSACASA-N 2 2 236.319 0.402 20 0 BCADLP CC[C@H]1C(=O)NCC[N@@H+]1CCn1cc[nH+]c1C ZINC000270831079 385751619 /nfs/dbraw/zinc/75/16/19/385751619.db2.gz CWQIFSAMRMUAOA-NSHDSACASA-N 2 2 236.319 0.402 20 0 BCADLP CO[C@H](C)CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336656659 385786952 /nfs/dbraw/zinc/78/69/52/385786952.db2.gz ORDYDTFRMMCWEL-MXWKQRLJSA-N 2 2 200.326 0.951 20 0 BCADLP CO[C@H](C)CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336656659 385786958 /nfs/dbraw/zinc/78/69/58/385786958.db2.gz ORDYDTFRMMCWEL-MXWKQRLJSA-N 2 2 200.326 0.951 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC2([S@](C)=O)CC2)CC[N@@H+]1C ZINC000336737490 385768697 /nfs/dbraw/zinc/76/86/97/385768697.db2.gz JLDLVBBJMOMMKZ-UVWXRNBGSA-N 2 2 244.404 0.970 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC2([S@](C)=O)CC2)CC[N@H+]1C ZINC000336737490 385768703 /nfs/dbraw/zinc/76/87/03/385768703.db2.gz JLDLVBBJMOMMKZ-UVWXRNBGSA-N 2 2 244.404 0.970 20 0 BCADLP CC[N@@H+]1CC[C@@H](NCc2[nH+]cc(C)n2C)C1 ZINC000414558443 385772287 /nfs/dbraw/zinc/77/22/87/385772287.db2.gz YZRUEQWZNFVINA-LLVKDONJSA-N 2 2 222.336 0.912 20 0 BCADLP CC[N@H+]1CC[C@@H](NCc2[nH+]cc(C)n2C)C1 ZINC000414558443 385772291 /nfs/dbraw/zinc/77/22/91/385772291.db2.gz YZRUEQWZNFVINA-LLVKDONJSA-N 2 2 222.336 0.912 20 0 BCADLP CN(CCC[NH+](C)C)Cc1[nH+]ccn1C ZINC000271033105 385775917 /nfs/dbraw/zinc/77/59/17/385775917.db2.gz QXNAVHUJBJWTMZ-UHFFFAOYSA-N 2 2 210.325 0.804 20 0 BCADLP O=C(C=Cc1c[nH]c[nH+]1)NCC[N@H+]1CC=CCC1 ZINC000282681689 385776817 /nfs/dbraw/zinc/77/68/17/385776817.db2.gz DFSQEFVXGOPMNN-SNAWJCMRSA-N 2 2 246.314 0.801 20 0 BCADLP O=C(C=Cc1c[nH]c[nH+]1)NCC[N@@H+]1CC=CCC1 ZINC000282681689 385776826 /nfs/dbraw/zinc/77/68/26/385776826.db2.gz DFSQEFVXGOPMNN-SNAWJCMRSA-N 2 2 246.314 0.801 20 0 BCADLP Cn1nncc1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414856940 385721292 /nfs/dbraw/zinc/72/12/92/385721292.db2.gz ZSQGYDQCMOSKSW-LBPRGKRZSA-N 2 2 237.351 0.812 20 0 BCADLP C[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)[NH+](C)C ZINC000283361227 385817861 /nfs/dbraw/zinc/81/78/61/385817861.db2.gz DDWPWCPGHNMHJU-XNPJLODASA-N 2 2 222.292 0.489 20 0 BCADLP C[NH+](C)[C@H](CNC(N)=[NH2+])c1ccsc1 ZINC000261691711 385827188 /nfs/dbraw/zinc/82/71/88/385827188.db2.gz BJPOPRUQXJGWDW-MRVPVSSYSA-N 2 2 212.322 0.834 20 0 BCADLP CC(C)CC[C@@H]([NH3+])C(=O)NCCc1[nH]cc[nH+]1 ZINC000638111092 385843604 /nfs/dbraw/zinc/84/36/04/385843604.db2.gz BWEMLEWGASIOCL-SNVBAGLBSA-N 2 2 238.335 0.832 20 0 BCADLP Cc1ccn2cc(CNC(=O)[C@@H](C)C[NH3+])[nH+]c2c1 ZINC000262408387 385843719 /nfs/dbraw/zinc/84/37/19/385843719.db2.gz QJPYXFBUVONZFH-JTQLQIEISA-N 2 2 246.314 0.854 20 0 BCADLP Cn1nncc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271179476 385796089 /nfs/dbraw/zinc/79/60/89/385796089.db2.gz HFCZKSXCDNMMOP-UHFFFAOYSA-N 2 2 246.318 0.918 20 0 BCADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC000644843184 385883901 /nfs/dbraw/zinc/88/39/01/385883901.db2.gz GEZMDDIFRHFMLR-GFCCVEGCSA-N 2 2 220.320 0.937 20 0 BCADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC000644843184 385883905 /nfs/dbraw/zinc/88/39/05/385883905.db2.gz GEZMDDIFRHFMLR-GFCCVEGCSA-N 2 2 220.320 0.937 20 0 BCADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC000644843184 385883906 /nfs/dbraw/zinc/88/39/06/385883906.db2.gz GEZMDDIFRHFMLR-GFCCVEGCSA-N 2 2 220.320 0.937 20 0 BCADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC000644843184 385883910 /nfs/dbraw/zinc/88/39/10/385883910.db2.gz GEZMDDIFRHFMLR-GFCCVEGCSA-N 2 2 220.320 0.937 20 0 BCADLP C[N@H+](CCC[NH3+])[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000647848362 385899147 /nfs/dbraw/zinc/89/91/47/385899147.db2.gz NQORXSBPXJETPG-LLVKDONJSA-N 2 2 239.294 0.633 20 0 BCADLP C[N@@H+](CCC[NH3+])[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000647848362 385899152 /nfs/dbraw/zinc/89/91/52/385899152.db2.gz NQORXSBPXJETPG-LLVKDONJSA-N 2 2 239.294 0.633 20 0 BCADLP Cc1nocc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000294810147 385900563 /nfs/dbraw/zinc/90/05/63/385900563.db2.gz WQBRQUIVJUUYLM-PHIMTYICSA-N 2 2 221.304 0.976 20 0 BCADLP Cc1nocc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000294810147 385900565 /nfs/dbraw/zinc/90/05/65/385900565.db2.gz WQBRQUIVJUUYLM-PHIMTYICSA-N 2 2 221.304 0.976 20 0 BCADLP Cc1nocc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000294810147 385900569 /nfs/dbraw/zinc/90/05/69/385900569.db2.gz WQBRQUIVJUUYLM-PHIMTYICSA-N 2 2 221.304 0.976 20 0 BCADLP Cc1nocc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000294810147 385900573 /nfs/dbraw/zinc/90/05/73/385900573.db2.gz WQBRQUIVJUUYLM-PHIMTYICSA-N 2 2 221.304 0.976 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c[nH+]1 ZINC000335039763 385930329 /nfs/dbraw/zinc/93/03/29/385930329.db2.gz SQTPTVMYOUQHON-ZJUUUORDSA-N 2 2 236.319 0.965 20 0 BCADLP CC[C@H](CCO)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336767880 385929896 /nfs/dbraw/zinc/92/98/96/385929896.db2.gz SVSHPZLBCXAYSI-QJPTWQEYSA-N 2 2 214.353 0.935 20 0 BCADLP CC[C@H](CCO)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336767880 385929900 /nfs/dbraw/zinc/92/99/00/385929900.db2.gz SVSHPZLBCXAYSI-QJPTWQEYSA-N 2 2 214.353 0.935 20 0 BCADLP CN(C)C(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815043 385869639 /nfs/dbraw/zinc/86/96/39/385869639.db2.gz MOGFDVYYTJPJOJ-UHFFFAOYSA-N 2 2 225.336 0.291 20 0 BCADLP CN(C)C(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815043 385869641 /nfs/dbraw/zinc/86/96/41/385869641.db2.gz MOGFDVYYTJPJOJ-UHFFFAOYSA-N 2 2 225.336 0.291 20 0 BCADLP COc1cc(C[NH2+][C@@H](C)C[NH3+])cc2c1OCO2 ZINC000414960382 385879784 /nfs/dbraw/zinc/87/97/84/385879784.db2.gz UVEGOLUYWKANQZ-QMMMGPOBSA-N 2 2 238.287 0.861 20 0 BCADLP CC(C)(C)NC(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000647926806 385981564 /nfs/dbraw/zinc/98/15/64/385981564.db2.gz NJOYFGGSAONVNU-UHFFFAOYSA-N 2 2 227.352 0.714 20 0 BCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647927105 385984618 /nfs/dbraw/zinc/98/46/18/385984618.db2.gz ZFXLTQSBASLSCL-SECBINFHSA-N 2 2 225.336 0.467 20 0 BCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647927106 385985043 /nfs/dbraw/zinc/98/50/43/385985043.db2.gz ZFXLTQSBASLSCL-VIFPVBQESA-N 2 2 225.336 0.467 20 0 BCADLP CCCCNC(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000647926368 385985320 /nfs/dbraw/zinc/98/53/20/385985320.db2.gz BEMGRIXPMXISRJ-UHFFFAOYSA-N 2 2 227.352 0.716 20 0 BCADLP CC(C)[C@@H](C)NC(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000647926871 385985585 /nfs/dbraw/zinc/98/55/85/385985585.db2.gz PRAHIIQJKOYIIU-LLVKDONJSA-N 2 2 241.379 0.960 20 0 BCADLP CC[C@H](C)NC(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000647926830 385985862 /nfs/dbraw/zinc/98/58/62/385985862.db2.gz OEOXMSXRCTUYPC-JTQLQIEISA-N 2 2 227.352 0.714 20 0 BCADLP CO[C@H]1CCN(Cc2c[nH+]cn2C)[C@@H](C[NH3+])C1 ZINC000161030354 385932436 /nfs/dbraw/zinc/93/24/36/385932436.db2.gz GTRHJYZXNMXTJR-PWSUYJOCSA-N 2 2 238.335 0.358 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c[nH+]1 ZINC000335058451 385959016 /nfs/dbraw/zinc/95/90/16/385959016.db2.gz IYBOLUFTSUTDDB-WDEREUQCSA-N 2 2 248.330 0.836 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cn(C)nn2)C1 ZINC000220203165 385961333 /nfs/dbraw/zinc/96/13/33/385961333.db2.gz IWWZWVGZTNGYDO-NXEZZACHSA-N 2 2 223.324 0.374 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(C)nn2)C1 ZINC000220203165 385961336 /nfs/dbraw/zinc/96/13/36/385961336.db2.gz IWWZWVGZTNGYDO-NXEZZACHSA-N 2 2 223.324 0.374 20 0 BCADLP C[C@H](C[NH3+])C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000285791939 385964930 /nfs/dbraw/zinc/96/49/30/385964930.db2.gz OYGZGZVUJMIFCZ-VHSXEESVSA-N 2 2 224.308 0.230 20 0 BCADLP CC(C)OCCC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647864285 385966760 /nfs/dbraw/zinc/96/67/60/385966760.db2.gz SWTCBGYIJJKWSA-RYUDHWBXSA-N 2 2 230.352 0.850 20 0 BCADLP CC[NH+](CC)CCC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000338319741 385966748 /nfs/dbraw/zinc/96/67/48/385966748.db2.gz RQVQUJSHBCBOIZ-GFCCVEGCSA-N 2 2 241.379 0.881 20 0 BCADLP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000338319741 385966759 /nfs/dbraw/zinc/96/67/59/385966759.db2.gz RQVQUJSHBCBOIZ-GFCCVEGCSA-N 2 2 241.379 0.881 20 0 BCADLP CC(C)OCCC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647864285 385966768 /nfs/dbraw/zinc/96/67/68/385966768.db2.gz SWTCBGYIJJKWSA-RYUDHWBXSA-N 2 2 230.352 0.850 20 0 BCADLP C[C@H](C[NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000285822526 385969285 /nfs/dbraw/zinc/96/92/85/385969285.db2.gz TYHKZOVDYQVOSN-SNVBAGLBSA-N 2 2 236.319 0.595 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CN1CCC(=O)CC1 ZINC000273121153 385972462 /nfs/dbraw/zinc/97/24/62/385972462.db2.gz SOUFKNWSMQWPOS-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP O=C1CCN(C[NH2+]CCCn2cc[nH+]c2)CC1 ZINC000273156412 385974960 /nfs/dbraw/zinc/97/49/60/385974960.db2.gz ZWXFTBOEPZOQAT-UHFFFAOYSA-N 2 2 236.319 0.485 20 0 BCADLP CC[C@@H](Cn1cncn1)[NH2+]CC[NH+](C)C ZINC000336770318 386011537 /nfs/dbraw/zinc/01/15/37/386011537.db2.gz VRBQRDYPMRUYJW-JTQLQIEISA-N 2 2 211.313 0.208 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000336770299 386012181 /nfs/dbraw/zinc/01/21/81/386012181.db2.gz WLHAOUDTFATOSY-KXUCPTDWSA-N 2 2 213.325 0.323 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000336770299 386012185 /nfs/dbraw/zinc/01/21/85/386012185.db2.gz WLHAOUDTFATOSY-KXUCPTDWSA-N 2 2 213.325 0.323 20 0 BCADLP Cc1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)on1 ZINC000309494379 386015510 /nfs/dbraw/zinc/01/55/10/386015510.db2.gz YWDCCJLIXUIEGO-NSHDSACASA-N 2 2 227.308 0.385 20 0 BCADLP O=C(N1CC[NH+](C2CC2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000335061681 386026728 /nfs/dbraw/zinc/02/67/28/386026728.db2.gz NAAAELYWPOSSNR-MFKMUULPSA-N 2 2 235.331 0.045 20 0 BCADLP [NH3+]CCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000415630304 386112931 /nfs/dbraw/zinc/11/29/31/386112931.db2.gz DTIKBIRHYPUHGX-UHFFFAOYSA-N 2 2 233.275 0.805 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000415380580 386068670 /nfs/dbraw/zinc/06/86/70/386068670.db2.gz HDFXVFFQUXTQOS-JTQLQIEISA-N 2 2 234.303 0.671 20 0 BCADLP COc1cc(C)[nH+]c(CN[C@H]2CC[NH2+]C2)c1 ZINC000414885790 386070425 /nfs/dbraw/zinc/07/04/25/386070425.db2.gz PIYNFECHISWJCK-JTQLQIEISA-N 2 2 221.304 0.850 20 0 BCADLP CC[NH2+][C@H](C)CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000415402546 386072211 /nfs/dbraw/zinc/07/22/11/386072211.db2.gz VVLAJZHXMSYMQO-SNVBAGLBSA-N 2 2 236.319 0.931 20 0 BCADLP C[NH2+]CCCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000415395594 386073247 /nfs/dbraw/zinc/07/32/47/386073247.db2.gz MSAUKFJISLEVAI-UHFFFAOYSA-N 2 2 222.292 0.543 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH+](C)C ZINC000286878795 386081399 /nfs/dbraw/zinc/08/13/99/386081399.db2.gz FBBMJPGSHHNSRW-QMMMGPOBSA-N 2 2 224.308 0.327 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C)C[NH+](C)C ZINC000286878795 386081407 /nfs/dbraw/zinc/08/14/07/386081407.db2.gz FBBMJPGSHHNSRW-QMMMGPOBSA-N 2 2 224.308 0.327 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC=C(C)CC1 ZINC000647969428 386189592 /nfs/dbraw/zinc/18/95/92/386189592.db2.gz XUEVUCGSZGSTRS-LBPRGKRZSA-N 2 2 212.337 0.951 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC=C(C)CC1 ZINC000647969428 386189594 /nfs/dbraw/zinc/18/95/94/386189594.db2.gz XUEVUCGSZGSTRS-LBPRGKRZSA-N 2 2 212.337 0.951 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC=C(C)CC1 ZINC000647969428 386189596 /nfs/dbraw/zinc/18/95/96/386189596.db2.gz XUEVUCGSZGSTRS-LBPRGKRZSA-N 2 2 212.337 0.951 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC=C(C)CC1 ZINC000647969428 386189599 /nfs/dbraw/zinc/18/95/99/386189599.db2.gz XUEVUCGSZGSTRS-LBPRGKRZSA-N 2 2 212.337 0.951 20 0 BCADLP [NH3+][C@H]1CCC[N@H+](CCC(=O)NC2CCCC2)C1 ZINC000346096277 386146546 /nfs/dbraw/zinc/14/65/46/386146546.db2.gz PDJWTFXORJANNW-NSHDSACASA-N 2 2 239.363 0.858 20 0 BCADLP [NH3+][C@H]1CCC[N@@H+](CCC(=O)NC2CCCC2)C1 ZINC000346096277 386146549 /nfs/dbraw/zinc/14/65/49/386146549.db2.gz PDJWTFXORJANNW-NSHDSACASA-N 2 2 239.363 0.858 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000414677136 386151385 /nfs/dbraw/zinc/15/13/85/386151385.db2.gz WCZHBKCKFMXKPY-VHSXEESVSA-N 2 2 213.325 0.310 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1C(N)=O ZINC000414677136 386151392 /nfs/dbraw/zinc/15/13/92/386151392.db2.gz WCZHBKCKFMXKPY-VHSXEESVSA-N 2 2 213.325 0.310 20 0 BCADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]32)CC1 ZINC000334472228 386152217 /nfs/dbraw/zinc/15/22/17/386152217.db2.gz KGIGWGVXSKOCDI-NWDGAFQWSA-N 2 2 237.347 0.245 20 0 BCADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@H]32)CC1 ZINC000334472228 386152219 /nfs/dbraw/zinc/15/22/19/386152219.db2.gz KGIGWGVXSKOCDI-NWDGAFQWSA-N 2 2 237.347 0.245 20 0 BCADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H](OCCO)C1 ZINC000414687342 386170001 /nfs/dbraw/zinc/17/00/01/386170001.db2.gz CMQKHGQWKBJJEM-LBPRGKRZSA-N 2 2 244.379 0.848 20 0 BCADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H](OCCO)C1 ZINC000414687342 386170003 /nfs/dbraw/zinc/17/00/03/386170003.db2.gz CMQKHGQWKBJJEM-LBPRGKRZSA-N 2 2 244.379 0.848 20 0 BCADLP CC[N@H+](CCC[NH3+])[C@@H](C)CS(=O)(=O)CC ZINC000414692235 386182390 /nfs/dbraw/zinc/18/23/90/386182390.db2.gz KLMZRRORWZIESB-JTQLQIEISA-N 2 2 236.381 0.480 20 0 BCADLP CC[N@@H+](CCC[NH3+])[C@@H](C)CS(=O)(=O)CC ZINC000414692235 386182395 /nfs/dbraw/zinc/18/23/95/386182395.db2.gz KLMZRRORWZIESB-JTQLQIEISA-N 2 2 236.381 0.480 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+](C)CC(C)(CO)CO ZINC000414691908 386188190 /nfs/dbraw/zinc/18/81/90/386188190.db2.gz CCUBDVWFQCHLLA-NSHDSACASA-N 2 2 232.368 0.283 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)CC(C)(CO)CO ZINC000414691908 386188194 /nfs/dbraw/zinc/18/81/94/386188194.db2.gz CCUBDVWFQCHLLA-NSHDSACASA-N 2 2 232.368 0.283 20 0 BCADLP COC(=O)c1cccc(C[N@H+](C)CC[NH3+])c1 ZINC000054418523 386128375 /nfs/dbraw/zinc/12/83/75/386128375.db2.gz UHNAYPGFERDXPZ-UHFFFAOYSA-N 2 2 222.288 0.864 20 0 BCADLP COC(=O)c1cccc(C[N@@H+](C)CC[NH3+])c1 ZINC000054418523 386128377 /nfs/dbraw/zinc/12/83/77/386128377.db2.gz UHNAYPGFERDXPZ-UHFFFAOYSA-N 2 2 222.288 0.864 20 0 BCADLP NC(=O)c1csc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000347028769 386221652 /nfs/dbraw/zinc/22/16/52/386221652.db2.gz WDUMLUHVFAEPLO-QMMMGPOBSA-N 2 2 239.344 0.628 20 0 BCADLP NC(=O)c1csc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000347028769 386221655 /nfs/dbraw/zinc/22/16/55/386221655.db2.gz WDUMLUHVFAEPLO-QMMMGPOBSA-N 2 2 239.344 0.628 20 0 BCADLP COC(=O)[C@@H]1CC[N@H+](CCn2cc[nH+]c2)[C@H]1C ZINC000347147807 386260089 /nfs/dbraw/zinc/26/00/89/386260089.db2.gz YNMTVFXZMOPZDB-WDEREUQCSA-N 2 2 237.303 0.767 20 0 BCADLP COC(=O)[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@H]1C ZINC000347147807 386260092 /nfs/dbraw/zinc/26/00/92/386260092.db2.gz YNMTVFXZMOPZDB-WDEREUQCSA-N 2 2 237.303 0.767 20 0 BCADLP CNC(=O)c1ccc(C[N@H+](C)[C@@H](C)C[NH3+])cc1 ZINC000347103204 386250341 /nfs/dbraw/zinc/25/03/41/386250341.db2.gz MIABTIIIJXPNHF-JTQLQIEISA-N 2 2 235.331 0.825 20 0 BCADLP CNC(=O)c1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1 ZINC000347103204 386250345 /nfs/dbraw/zinc/25/03/45/386250345.db2.gz MIABTIIIJXPNHF-JTQLQIEISA-N 2 2 235.331 0.825 20 0 BCADLP CN(C)c1nccc(C[N@H+](C)C2CC[NH2+]CC2)n1 ZINC000347106671 386251528 /nfs/dbraw/zinc/25/15/28/386251528.db2.gz NIWGDSMLQZUSOC-UHFFFAOYSA-N 2 2 249.362 0.726 20 0 BCADLP CN(C)c1nccc(C[N@@H+](C)C2CC[NH2+]CC2)n1 ZINC000347106671 386251535 /nfs/dbraw/zinc/25/15/35/386251535.db2.gz NIWGDSMLQZUSOC-UHFFFAOYSA-N 2 2 249.362 0.726 20 0 BCADLP CCC[N@@H+](CC(=O)NC)C[C@@H]([NH3+])CC(C)C ZINC000414694930 386193431 /nfs/dbraw/zinc/19/34/31/386193431.db2.gz TYOPTMJHDQZFMX-NSHDSACASA-N 2 2 229.368 0.818 20 0 BCADLP CCC[N@H+](CC(=O)NC)C[C@@H]([NH3+])CC(C)C ZINC000414694930 386193435 /nfs/dbraw/zinc/19/34/35/386193435.db2.gz TYOPTMJHDQZFMX-NSHDSACASA-N 2 2 229.368 0.818 20 0 BCADLP C[NH+](C)CC(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000264974498 386289970 /nfs/dbraw/zinc/28/99/70/386289970.db2.gz BXAOTYBWBTWNPD-UHFFFAOYSA-N 2 2 245.286 0.767 20 0 BCADLP Cc1noc(CCC[N@H+]2CC[C@H]([NH3+])[C@@H]2C)n1 ZINC000647987991 386293464 /nfs/dbraw/zinc/29/34/64/386293464.db2.gz CCZFLWTZKYNLAL-WPRPVWTQSA-N 2 2 224.308 0.732 20 0 BCADLP Cc1noc(CCC[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)n1 ZINC000647987991 386293468 /nfs/dbraw/zinc/29/34/68/386293468.db2.gz CCZFLWTZKYNLAL-WPRPVWTQSA-N 2 2 224.308 0.732 20 0 BCADLP [NH3+]CCOCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000647886820 386307667 /nfs/dbraw/zinc/30/76/67/386307667.db2.gz YTZJSLZFACZCCH-QMMMGPOBSA-N 2 2 242.241 0.225 20 0 BCADLP [NH3+]CCOCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000647886820 386307673 /nfs/dbraw/zinc/30/76/73/386307673.db2.gz YTZJSLZFACZCCH-QMMMGPOBSA-N 2 2 242.241 0.225 20 0 BCADLP C[N@H+](CC[NH2+]C(C)(C)C)C1CC(O)C1 ZINC000414738613 386319110 /nfs/dbraw/zinc/31/91/10/386319110.db2.gz BQPGLKQBBLTEDR-UHFFFAOYSA-N 2 2 200.326 0.830 20 0 BCADLP C[N@@H+](CC[NH2+]C(C)(C)C)C1CC(O)C1 ZINC000414738613 386319117 /nfs/dbraw/zinc/31/91/17/386319117.db2.gz BQPGLKQBBLTEDR-UHFFFAOYSA-N 2 2 200.326 0.830 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000414739076 386322123 /nfs/dbraw/zinc/32/21/23/386322123.db2.gz JVTAPCWUTRLYJY-WDEREUQCSA-N 2 2 212.337 0.817 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000414739076 386322129 /nfs/dbraw/zinc/32/21/29/386322129.db2.gz JVTAPCWUTRLYJY-WDEREUQCSA-N 2 2 212.337 0.817 20 0 BCADLP C[NH+](C)C[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000336682194 386342421 /nfs/dbraw/zinc/34/24/21/386342421.db2.gz CZFGOAQJSAVZLC-ZDUSSCGKSA-N 2 2 241.379 0.202 20 0 BCADLP Cn1ncc(C[NH+]2CCC(n3cc[nH+]c3)CC2)n1 ZINC000289722797 386348193 /nfs/dbraw/zinc/34/81/93/386348193.db2.gz GYOKMEWOUFNGLR-UHFFFAOYSA-N 2 2 246.318 0.849 20 0 BCADLP C([NH2+][C@H]1CCCSC1)[C@H]1C[NH2+]CCO1 ZINC000335268291 386350691 /nfs/dbraw/zinc/35/06/91/386350691.db2.gz OVYUWXIUAFPJPZ-VHSXEESVSA-N 2 2 216.350 0.460 20 0 BCADLP Cn1cccc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000265622477 386351836 /nfs/dbraw/zinc/35/18/36/386351836.db2.gz ABZHMMYSGYWFGL-ZDUSSCGKSA-N 2 2 237.347 0.571 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCCNC1=O ZINC000336685191 386357314 /nfs/dbraw/zinc/35/73/14/386357314.db2.gz FIAMZRIZIJQKMU-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCCNC1=O ZINC000336685191 386357316 /nfs/dbraw/zinc/35/73/16/386357316.db2.gz FIAMZRIZIJQKMU-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP COC[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000647989563 386357645 /nfs/dbraw/zinc/35/76/45/386357645.db2.gz FWAMJZBOYSRFAD-WOPDTQHZSA-N 2 2 228.336 0.332 20 0 BCADLP COC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000647989563 386357652 /nfs/dbraw/zinc/35/76/52/386357652.db2.gz FWAMJZBOYSRFAD-WOPDTQHZSA-N 2 2 228.336 0.332 20 0 BCADLP COC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000647989562 386358300 /nfs/dbraw/zinc/35/83/00/386358300.db2.gz FWAMJZBOYSRFAD-UTUOFQBUSA-N 2 2 228.336 0.332 20 0 BCADLP COC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000647989562 386358305 /nfs/dbraw/zinc/35/83/05/386358305.db2.gz FWAMJZBOYSRFAD-UTUOFQBUSA-N 2 2 228.336 0.332 20 0 BCADLP COC(=O)c1coc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])c1 ZINC000415007914 386373686 /nfs/dbraw/zinc/37/36/86/386373686.db2.gz DKBAESZNPHGNFB-SFYZADRCSA-N 2 2 226.276 0.892 20 0 BCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000289967414 386377951 /nfs/dbraw/zinc/37/79/51/386377951.db2.gz NDRKKNBPIKFOAO-GHMZBOCLSA-N 2 2 236.319 0.387 20 0 BCADLP CC[N@H+](CCOCCO)C[C@@H]([NH3+])CC(C)C ZINC000414741778 386327989 /nfs/dbraw/zinc/32/79/89/386327989.db2.gz FRPKKTXSSZZYIL-LBPRGKRZSA-N 2 2 232.368 0.691 20 0 BCADLP CC[N@@H+](CCOCCO)C[C@@H]([NH3+])CC(C)C ZINC000414741778 386327991 /nfs/dbraw/zinc/32/79/91/386327991.db2.gz FRPKKTXSSZZYIL-LBPRGKRZSA-N 2 2 232.368 0.691 20 0 BCADLP CC[N@H+](C)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000265399560 386334037 /nfs/dbraw/zinc/33/40/37/386334037.db2.gz KFMKKVNNFNZVSL-UHFFFAOYSA-N 2 2 210.281 0.400 20 0 BCADLP CC[N@@H+](C)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000265399560 386334042 /nfs/dbraw/zinc/33/40/42/386334042.db2.gz KFMKKVNNFNZVSL-UHFFFAOYSA-N 2 2 210.281 0.400 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCCO1 ZINC000166089264 386439227 /nfs/dbraw/zinc/43/92/27/386439227.db2.gz WBNMYBCBMQGFOT-WOPDTQHZSA-N 2 2 228.336 0.522 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCNC2=O)C1 ZINC000336719583 386451027 /nfs/dbraw/zinc/45/10/27/386451027.db2.gz XYHLWLVEKLOJJZ-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCNC2=O)C1 ZINC000336719583 386451031 /nfs/dbraw/zinc/45/10/31/386451031.db2.gz XYHLWLVEKLOJJZ-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC000336719583 386451034 /nfs/dbraw/zinc/45/10/34/386451034.db2.gz XYHLWLVEKLOJJZ-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC000336719583 386451036 /nfs/dbraw/zinc/45/10/36/386451036.db2.gz XYHLWLVEKLOJJZ-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP C[C@@H](O)CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000336703810 386390231 /nfs/dbraw/zinc/39/02/31/386390231.db2.gz BYCQIQXLGCNQFZ-OLZOCXBDSA-N 2 2 242.363 0.411 20 0 BCADLP C[C@@H](O)CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000336703810 386390236 /nfs/dbraw/zinc/39/02/36/386390236.db2.gz BYCQIQXLGCNQFZ-OLZOCXBDSA-N 2 2 242.363 0.411 20 0 BCADLP C[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)Cn1cc[nH+]c1 ZINC000237598392 386395649 /nfs/dbraw/zinc/39/56/49/386395649.db2.gz KOYHLLRQNHIMGW-QWRGUYRKSA-N 2 2 236.319 0.245 20 0 BCADLP CC(C)N(C)C(=O)C1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000442643462 386397725 /nfs/dbraw/zinc/39/77/25/386397725.db2.gz ACNAPPMACBMYCI-LLVKDONJSA-N 2 2 241.379 0.912 20 0 BCADLP Cc1nc(N2CCC[N@@H+](C)CC2)cc[nH+]1 ZINC000266125885 386400848 /nfs/dbraw/zinc/40/08/48/386400848.db2.gz BPUGDOVYUGMCFE-UHFFFAOYSA-N 2 2 206.293 0.927 20 0 BCADLP CC[N@H+](C[C@H]([NH3+])CC(C)C)[C@@H]1CCNC1=O ZINC000414760918 386419577 /nfs/dbraw/zinc/41/95/77/386419577.db2.gz HXZUYMQKOVGUQZ-GHMZBOCLSA-N 2 2 227.352 0.570 20 0 BCADLP CC[N@@H+](C[C@H]([NH3+])CC(C)C)[C@@H]1CCNC1=O ZINC000414760918 386419587 /nfs/dbraw/zinc/41/95/87/386419587.db2.gz HXZUYMQKOVGUQZ-GHMZBOCLSA-N 2 2 227.352 0.570 20 0 BCADLP CO[C@H](C)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336710141 386420621 /nfs/dbraw/zinc/42/06/21/386420621.db2.gz KRSUNXMQSKHJSP-LLVKDONJSA-N 2 2 238.335 0.562 20 0 BCADLP C[NH+](C)C[C@H]1C[N@H+](C[C@H]2CCOC2)CCO1 ZINC000336709322 386421492 /nfs/dbraw/zinc/42/14/92/386421492.db2.gz WSIJLQJBEUHXKK-NEPJUHHUSA-N 2 2 228.336 0.285 20 0 BCADLP C[NH+](C)C[C@H]1C[N@@H+](C[C@H]2CCOC2)CCO1 ZINC000336709322 386421497 /nfs/dbraw/zinc/42/14/97/386421497.db2.gz WSIJLQJBEUHXKK-NEPJUHHUSA-N 2 2 228.336 0.285 20 0 BCADLP C[N@H+](CC(=O)NC1CCCC1)CC(C)(C)C[NH3+] ZINC000093874405 386431216 /nfs/dbraw/zinc/43/12/16/386431216.db2.gz HCPYEBOZDRVFTO-UHFFFAOYSA-N 2 2 241.379 0.962 20 0 BCADLP C[N@@H+](CC(=O)NC1CCCC1)CC(C)(C)C[NH3+] ZINC000093874405 386431219 /nfs/dbraw/zinc/43/12/19/386431219.db2.gz HCPYEBOZDRVFTO-UHFFFAOYSA-N 2 2 241.379 0.962 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000299569255 386466833 /nfs/dbraw/zinc/46/68/33/386466833.db2.gz TYPWTGDRTDZLPE-GHMZBOCLSA-N 2 2 236.319 0.482 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC000299569255 386466836 /nfs/dbraw/zinc/46/68/36/386466836.db2.gz TYPWTGDRTDZLPE-GHMZBOCLSA-N 2 2 236.319 0.482 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+][C@H](C)C[NH+](C)C ZINC000336740702 386478878 /nfs/dbraw/zinc/47/88/78/386478878.db2.gz UTZHWDLIOKLOPH-GHMZBOCLSA-N 2 2 210.325 0.811 20 0 BCADLP C[C@H]([NH2+]CC(=O)NCC(F)F)[C@@H]1CCCC[NH2+]1 ZINC000393699020 386484647 /nfs/dbraw/zinc/48/46/47/386484647.db2.gz ANIIGYFUWFFDHP-IUCAKERBSA-N 2 2 249.305 0.488 20 0 BCADLP CCN(CC)C(=O)C[C@H](C)[NH2+]CC[NH+](C)C ZINC000336779066 386484761 /nfs/dbraw/zinc/48/47/61/386484761.db2.gz NCGXUHAOSVNQFW-NSHDSACASA-N 2 2 229.368 0.785 20 0 BCADLP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000335432393 386488395 /nfs/dbraw/zinc/48/83/95/386488395.db2.gz FZXJFVSKMYVFRY-JQWIXIFHSA-N 2 2 236.319 0.934 20 0 BCADLP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000335432393 386488399 /nfs/dbraw/zinc/48/83/99/386488399.db2.gz FZXJFVSKMYVFRY-JQWIXIFHSA-N 2 2 236.319 0.934 20 0 BCADLP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000335432392 386489090 /nfs/dbraw/zinc/48/90/90/386489090.db2.gz FZXJFVSKMYVFRY-CMPLNLGQSA-N 2 2 236.319 0.934 20 0 BCADLP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000335432392 386489093 /nfs/dbraw/zinc/48/90/93/386489093.db2.gz FZXJFVSKMYVFRY-CMPLNLGQSA-N 2 2 236.319 0.934 20 0 BCADLP COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])[nH]1 ZINC000415011358 386490011 /nfs/dbraw/zinc/49/00/11/386490011.db2.gz HPPQMOIGPMIEGP-HTQZYQBOSA-N 2 2 225.292 0.627 20 0 BCADLP C[NH2+]C[C@@H]1CCN(CC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000519606881 386503144 /nfs/dbraw/zinc/50/31/44/386503144.db2.gz OGYFCTCJUUXSKL-STQMWFEESA-N 2 2 241.379 0.248 20 0 BCADLP C[NH2+]C[C@@H]1CCN(CC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000519606881 386503145 /nfs/dbraw/zinc/50/31/45/386503145.db2.gz OGYFCTCJUUXSKL-STQMWFEESA-N 2 2 241.379 0.248 20 0 BCADLP COc1c(O)cccc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415050119 386506274 /nfs/dbraw/zinc/50/62/74/386506274.db2.gz BGFSZEDFYJRXJY-IAZYJMLFSA-N 2 2 234.299 0.708 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H](C)CC[NH+](C)C)c[nH+]1 ZINC000267200038 386509063 /nfs/dbraw/zinc/50/90/63/386509063.db2.gz LIIQMWUBTFTEAV-QMMMGPOBSA-N 2 2 224.308 0.788 20 0 BCADLP CN(C)c1ncc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)s1 ZINC000415021669 386510943 /nfs/dbraw/zinc/51/09/43/386510943.db2.gz CIQIAMYVSDOCAH-MYJAWHEDSA-N 2 2 238.360 0.517 20 0 BCADLP Cc1cn[nH]c1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000335448312 386517400 /nfs/dbraw/zinc/51/74/00/386517400.db2.gz MNTKLOFFIMRYKX-ZJUUUORDSA-N 2 2 208.309 0.887 20 0 BCADLP Cc1ccn2c(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)cnc2c1 ZINC000415040599 386526556 /nfs/dbraw/zinc/52/65/56/386526556.db2.gz QLYZVJSGOUHBPB-IMRBUKKESA-N 2 2 242.326 0.950 20 0 BCADLP Cn1nncc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000290563626 386453864 /nfs/dbraw/zinc/45/38/64/386453864.db2.gz SMSIORTXLICACD-UHFFFAOYSA-N 2 2 234.307 0.534 20 0 BCADLP Cn1nncc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000290563626 386453869 /nfs/dbraw/zinc/45/38/69/386453869.db2.gz SMSIORTXLICACD-UHFFFAOYSA-N 2 2 234.307 0.534 20 0 BCADLP CC(C)N1CC[C@@H]([NH2+]CC[NH2+]C(C)(C)C)C1=O ZINC000415080039 386583190 /nfs/dbraw/zinc/58/31/90/386583190.db2.gz IQECIWBYBSCMHS-LLVKDONJSA-N 2 2 241.379 0.973 20 0 BCADLP C[NH+](C)CC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000062622761 386585919 /nfs/dbraw/zinc/58/59/19/386585919.db2.gz IJGVNBZGMBIDEU-ZDUSSCGKSA-N 2 2 247.342 0.721 20 0 BCADLP CC1(C)C[N@H+](CCN[C@@H]2CC[NH2+]C2)CCO1 ZINC000415079103 386588965 /nfs/dbraw/zinc/58/89/65/386588965.db2.gz HOHIOIDNVQSFRA-LLVKDONJSA-N 2 2 227.352 0.049 20 0 BCADLP CC1(C)C[N@@H+](CCN[C@@H]2CC[NH2+]C2)CCO1 ZINC000415079103 386588967 /nfs/dbraw/zinc/58/89/67/386588967.db2.gz HOHIOIDNVQSFRA-LLVKDONJSA-N 2 2 227.352 0.049 20 0 BCADLP CC1(C)CN(CC[NH2+][C@@H]2CC[NH2+]C2)CCO1 ZINC000415079103 386588971 /nfs/dbraw/zinc/58/89/71/386588971.db2.gz HOHIOIDNVQSFRA-LLVKDONJSA-N 2 2 227.352 0.049 20 0 BCADLP CCc1nn(C)c(CC)c1C[NH2+][C@H](C)C[NH3+] ZINC000414922126 386590284 /nfs/dbraw/zinc/59/02/84/386590284.db2.gz BYLLOMLBOROHKG-SECBINFHSA-N 2 2 224.352 0.982 20 0 BCADLP C[N@@H+](Cc1cc(F)c(F)c(F)c1)C[C@H](O)C[NH3+] ZINC000415053739 386534679 /nfs/dbraw/zinc/53/46/79/386534679.db2.gz KOCVOTIHPJWQRX-MRVPVSSYSA-N 2 2 248.248 0.855 20 0 BCADLP C[N@H+](Cc1cc(F)c(F)c(F)c1)C[C@H](O)C[NH3+] ZINC000415053739 386534682 /nfs/dbraw/zinc/53/46/82/386534682.db2.gz KOCVOTIHPJWQRX-MRVPVSSYSA-N 2 2 248.248 0.855 20 0 BCADLP CNC(=O)c1cccc(C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000415084261 386596721 /nfs/dbraw/zinc/59/67/21/386596721.db2.gz GNAOOZPMRIQIOA-CYBMUJFWSA-N 2 2 247.342 0.888 20 0 BCADLP [NH3+]CC[C@H]([NH2+]CC1CC[NH2+]CC1)C(F)F ZINC000519708821 386538685 /nfs/dbraw/zinc/53/86/85/386538685.db2.gz NKVHHIDRWSCFDD-VIFPVBQESA-N 3 2 221.295 0.558 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000336780408 386548628 /nfs/dbraw/zinc/54/86/28/386548628.db2.gz RGDVRNNNDSJHAJ-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000336780408 386548636 /nfs/dbraw/zinc/54/86/36/386548636.db2.gz RGDVRNNNDSJHAJ-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000336780411 386550313 /nfs/dbraw/zinc/55/03/13/386550313.db2.gz RGDVRNNNDSJHAJ-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000336780411 386550317 /nfs/dbraw/zinc/55/03/17/386550317.db2.gz RGDVRNNNDSJHAJ-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CC(=O)N(C)C1CC1 ZINC000063196350 386553657 /nfs/dbraw/zinc/55/36/57/386553657.db2.gz LKZALGKHJYGGIM-CMPLNLGQSA-N 2 2 239.363 0.809 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CC(=O)N(C)C1CC1 ZINC000063196350 386553663 /nfs/dbraw/zinc/55/36/63/386553663.db2.gz LKZALGKHJYGGIM-CMPLNLGQSA-N 2 2 239.363 0.809 20 0 BCADLP C[C@H]([C@H](C)[NH2+][C@H]1CCC[NH2+]C1)N1CCOCC1 ZINC000415073175 386560197 /nfs/dbraw/zinc/56/01/97/386560197.db2.gz AQIVJARETZMBHJ-XQQFMLRXSA-N 2 2 241.379 0.437 20 0 BCADLP C[C@H]([C@H](C)N[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000415073175 386560201 /nfs/dbraw/zinc/56/02/01/386560201.db2.gz AQIVJARETZMBHJ-XQQFMLRXSA-N 2 2 241.379 0.437 20 0 BCADLP O=C1NCC[C@@H]1[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904041 386561821 /nfs/dbraw/zinc/56/18/21/386561821.db2.gz VJHRPTWLILMQII-SRVKXCTJSA-N 2 2 237.347 0.339 20 0 BCADLP O=C1NCC[C@@H]1[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904041 386561823 /nfs/dbraw/zinc/56/18/23/386561823.db2.gz VJHRPTWLILMQII-SRVKXCTJSA-N 2 2 237.347 0.339 20 0 BCADLP Cc1cc[nH+]c(NCCC[N@@H+]2CCNC(=O)C2)c1 ZINC000278685656 386567886 /nfs/dbraw/zinc/56/78/86/386567886.db2.gz HDBNTQXQUWQEJS-UHFFFAOYSA-N 2 2 248.330 0.624 20 0 BCADLP Cc1cc[nH+]c(NCCC[N@H+]2CCNC(=O)C2)c1 ZINC000278685656 386567890 /nfs/dbraw/zinc/56/78/90/386567890.db2.gz HDBNTQXQUWQEJS-UHFFFAOYSA-N 2 2 248.330 0.624 20 0 BCADLP CC(C)(C)[NH2+]CC[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000415115807 386630365 /nfs/dbraw/zinc/63/03/65/386630365.db2.gz UUDYJJFZJQCUIY-SNVBAGLBSA-N 2 2 239.363 0.727 20 0 BCADLP CC(C)(C)[NH2+]CC[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000415115805 386630599 /nfs/dbraw/zinc/63/05/99/386630599.db2.gz UUDYJJFZJQCUIY-JTQLQIEISA-N 2 2 239.363 0.727 20 0 BCADLP CC[N@H+](CCCn1cc[nH+]c1)[C@H](C)CO ZINC000292210353 386635335 /nfs/dbraw/zinc/63/53/35/386635335.db2.gz OIFZDOZNKIJWBM-LLVKDONJSA-N 2 2 211.309 0.976 20 0 BCADLP CC[N@@H+](CCCn1cc[nH+]c1)[C@H](C)CO ZINC000292210353 386635340 /nfs/dbraw/zinc/63/53/40/386635340.db2.gz OIFZDOZNKIJWBM-LLVKDONJSA-N 2 2 211.309 0.976 20 0 BCADLP C[C@H](CC[NH+](C)C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000279244808 386655165 /nfs/dbraw/zinc/65/51/65/386655165.db2.gz SEOMFXMTUJEUEN-SNVBAGLBSA-N 2 2 238.335 0.799 20 0 BCADLP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414924050 386614039 /nfs/dbraw/zinc/61/40/39/386614039.db2.gz JKXKWTFNKRIZPJ-SDDRHHMPSA-N 3 2 211.353 0.859 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnnn1C ZINC000129710379 386672017 /nfs/dbraw/zinc/67/20/17/386672017.db2.gz MRKLWAYONXXTLZ-SECBINFHSA-N 2 2 220.280 0.190 20 0 BCADLP CCOCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000268629151 386672254 /nfs/dbraw/zinc/67/22/54/386672254.db2.gz OBNPAQVIKPAZLK-UHFFFAOYSA-N 2 2 238.335 0.579 20 0 BCADLP C[C@H](C(N)=O)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337241417 386672878 /nfs/dbraw/zinc/67/28/78/386672878.db2.gz GTWRDMSQUHXKGY-SNVBAGLBSA-N 2 2 213.325 0.278 20 0 BCADLP C[C@H](C(N)=O)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337241417 386672882 /nfs/dbraw/zinc/67/28/82/386672882.db2.gz GTWRDMSQUHXKGY-SNVBAGLBSA-N 2 2 213.325 0.278 20 0 BCADLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ncn(C)n1 ZINC000391880255 386691689 /nfs/dbraw/zinc/69/16/89/386691689.db2.gz VROPFDHRWIMIIT-AEJSXWLSSA-N 2 2 223.324 0.736 20 0 BCADLP C[NH2+]CCNCc1c(C)[nH+]c2ccccn21 ZINC000414827700 386693975 /nfs/dbraw/zinc/69/39/75/386693975.db2.gz YEWMJDGORDYCBW-UHFFFAOYSA-N 2 2 218.304 0.952 20 0 BCADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C1C[NH2+]C1 ZINC000357039869 386700343 /nfs/dbraw/zinc/70/03/43/386700343.db2.gz BAFSIGIZCPUOJP-UHFFFAOYSA-N 2 2 248.252 0.849 20 0 BCADLP CC[NH2+]CC[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000414829373 386701205 /nfs/dbraw/zinc/70/12/05/386701205.db2.gz MKXBRMNEBAQFTG-UHFFFAOYSA-N 2 2 225.292 0.500 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000414929610 386738095 /nfs/dbraw/zinc/73/80/95/386738095.db2.gz OGMKNKJTNWSXKH-GXFFZTMASA-N 2 2 247.342 0.873 20 0 BCADLP Cc1cnc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000357079425 386712563 /nfs/dbraw/zinc/71/25/63/386712563.db2.gz SIGNKJMWPBPJGS-NWDGAFQWSA-N 2 2 232.331 0.826 20 0 BCADLP Cc1cnc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000357079425 386712570 /nfs/dbraw/zinc/71/25/70/386712570.db2.gz SIGNKJMWPBPJGS-NWDGAFQWSA-N 2 2 232.331 0.826 20 0 BCADLP Cn1ncnc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357087669 386713655 /nfs/dbraw/zinc/71/36/55/386713655.db2.gz SEKJBJOEJPZBEP-LBPRGKRZSA-N 2 2 249.362 0.637 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000414928157 386717890 /nfs/dbraw/zinc/71/78/90/386717890.db2.gz MOVPDGRSCAQHHN-MXWKQRLJSA-N 2 2 227.352 0.441 20 0 BCADLP CC(C)(C[NH3+])C(=O)NCCNc1cccc[nH+]1 ZINC000645331558 386719517 /nfs/dbraw/zinc/71/95/17/386719517.db2.gz NBCXLONRSVDCAN-UHFFFAOYSA-N 2 2 236.319 0.595 20 0 BCADLP CC[C@@H]([NH3+])C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000357134793 386723171 /nfs/dbraw/zinc/72/31/71/386723171.db2.gz QZDWBUFCSBTTMS-LLVKDONJSA-N 2 2 246.314 0.996 20 0 BCADLP CCCC[N@H+](CC(N)=O)C[C@]1(C)CC[NH2+]C1 ZINC000340706343 386745929 /nfs/dbraw/zinc/74/59/29/386745929.db2.gz HOGDYKDVONWNES-GFCCVEGCSA-N 2 2 227.352 0.573 20 0 BCADLP CCCC[N@@H+](CC(N)=O)C[C@]1(C)CC[NH2+]C1 ZINC000340706343 386745936 /nfs/dbraw/zinc/74/59/36/386745936.db2.gz HOGDYKDVONWNES-GFCCVEGCSA-N 2 2 227.352 0.573 20 0 BCADLP Cc1ccn2cc(CNC(=O)C3([NH3+])CC3)[nH+]c2c1 ZINC000269236717 386763241 /nfs/dbraw/zinc/76/32/41/386763241.db2.gz HJZXVOKSAXUHIN-UHFFFAOYSA-N 2 2 244.298 0.750 20 0 BCADLP CN(C)c1ccc(CNC(=O)[C@@H]2CC[NH2+]C2)c[nH+]1 ZINC000269234664 386763557 /nfs/dbraw/zinc/76/35/57/386763557.db2.gz MCGWSJCOBCOFDV-LLVKDONJSA-N 2 2 248.330 0.373 20 0 BCADLP CN(C)c1ccc(CNC(=O)CCC[NH3+])c[nH+]1 ZINC000269228271 386763920 /nfs/dbraw/zinc/76/39/20/386763920.db2.gz GHSOYPZHDGMUQC-UHFFFAOYSA-N 2 2 236.319 0.503 20 0 BCADLP CSCC[C@H](CO)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336664415 386764986 /nfs/dbraw/zinc/76/49/86/386764986.db2.gz CQXBSXTVDZJVAP-AXFHLTTASA-N 2 2 232.393 0.640 20 0 BCADLP CSCC[C@H](CO)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336664415 386764991 /nfs/dbraw/zinc/76/49/91/386764991.db2.gz CQXBSXTVDZJVAP-AXFHLTTASA-N 2 2 232.393 0.640 20 0 BCADLP CC[C@H]([NH3+])C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000269249074 386766321 /nfs/dbraw/zinc/76/63/21/386766321.db2.gz WQGHJTMINYEMDM-NSHDSACASA-N 2 2 246.314 0.730 20 0 BCADLP Cc1ccc2[nH+]c(CNC(=O)CCC[NH3+])cn2c1 ZINC000269254029 386768233 /nfs/dbraw/zinc/76/82/33/386768233.db2.gz RDQRTXVGRCCLQE-UHFFFAOYSA-N 2 2 246.314 0.998 20 0 BCADLP CC[C@H]([NH3+])C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000269267175 386771458 /nfs/dbraw/zinc/77/14/58/386771458.db2.gz PUSCJIKTVCQUPC-VIFPVBQESA-N 3 2 245.286 0.943 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC(C)(C)C(=O)NC)C1 ZINC000344821721 386781954 /nfs/dbraw/zinc/78/19/54/386781954.db2.gz CAMZSWFCNUEMTJ-MNOVXSKESA-N 2 2 241.379 0.688 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC(C)(C)C(=O)NC)C1 ZINC000344821721 386781960 /nfs/dbraw/zinc/78/19/60/386781960.db2.gz CAMZSWFCNUEMTJ-MNOVXSKESA-N 2 2 241.379 0.688 20 0 BCADLP [NH3+]C[C@H]1CCCCN1CC[NH+]1CCOCC1 ZINC000019843403 386786640 /nfs/dbraw/zinc/78/66/40/386786640.db2.gz FAGHMTANGZMLNJ-GFCCVEGCSA-N 2 2 227.352 0.132 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@@H+]1CCN1CCOCC1 ZINC000019843403 386786643 /nfs/dbraw/zinc/78/66/43/386786643.db2.gz FAGHMTANGZMLNJ-GFCCVEGCSA-N 2 2 227.352 0.132 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@H+]1CCN1CCOCC1 ZINC000019843403 386786650 /nfs/dbraw/zinc/78/66/50/386786650.db2.gz FAGHMTANGZMLNJ-GFCCVEGCSA-N 2 2 227.352 0.132 20 0 BCADLP Cn1nnnc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329815934 386804686 /nfs/dbraw/zinc/80/46/86/386804686.db2.gz DSMGHUPPFKEOTF-UHFFFAOYSA-N 2 2 247.306 0.313 20 0 BCADLP C[C@H](C[NH2+][C@@H](C)c1ccc(=O)[nH]n1)C[NH+](C)C ZINC000293344181 386806069 /nfs/dbraw/zinc/80/60/69/386806069.db2.gz GRWKKXLZTZVLDP-ZJUUUORDSA-N 2 2 238.335 0.618 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H](O)C1CCC1 ZINC000316798941 259698131 /nfs/dbraw/zinc/69/81/31/259698131.db2.gz RUOVTJQELVEJMK-KGYLQXTDSA-N 2 2 242.363 0.504 20 0 BCADLP C[C@@H](C[NH+](C)C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330684250 386830231 /nfs/dbraw/zinc/83/02/31/386830231.db2.gz SIJQDYHEXLQWHG-VIFPVBQESA-N 2 2 238.335 0.754 20 0 BCADLP CC1(C)C[NH2+][C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000645185848 386849809 /nfs/dbraw/zinc/84/98/09/386849809.db2.gz SBNYCVNFDPPSMT-JTQLQIEISA-N 2 2 236.319 0.387 20 0 BCADLP CC[NH2+][C@H](C)C[NH2+]Cc1cnn(CC)c1 ZINC000414937949 386857553 /nfs/dbraw/zinc/85/75/53/386857553.db2.gz CYBMOGLMOJFKAN-SNVBAGLBSA-N 2 2 210.325 0.991 20 0 BCADLP Cc1cc(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc[nH+]1 ZINC000334826795 386862685 /nfs/dbraw/zinc/86/26/85/386862685.db2.gz WQJKQCNJNGBDRL-BXKDBHETSA-N 2 2 248.330 0.931 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000414940078 386877482 /nfs/dbraw/zinc/87/74/82/386877482.db2.gz XEKYUILGFXIVMC-GXFFZTMASA-N 2 2 247.342 0.873 20 0 BCADLP c1cn(CC[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)c[nH+]1 ZINC000331738914 386887553 /nfs/dbraw/zinc/88/75/53/386887553.db2.gz DMEIXSGHCDRFHW-LLVKDONJSA-N 2 2 246.318 0.881 20 0 BCADLP c1cn(CC[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)c[nH+]1 ZINC000331738914 386887556 /nfs/dbraw/zinc/88/75/56/386887556.db2.gz DMEIXSGHCDRFHW-LLVKDONJSA-N 2 2 246.318 0.881 20 0 BCADLP Cn1ncc(Cl)c1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000334848855 386896958 /nfs/dbraw/zinc/89/69/58/386896958.db2.gz TVVQSTKVBPCEEY-MTBHXBHISA-N 2 2 226.711 0.381 20 0 BCADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCO[C@H]1C ZINC000358136689 386898775 /nfs/dbraw/zinc/89/87/75/386898775.db2.gz ACPWLCMDVCHKLA-AGIUHOORSA-N 2 2 242.363 0.864 20 0 BCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cnccn1 ZINC000330881644 386908677 /nfs/dbraw/zinc/90/86/77/386908677.db2.gz NVLJSYRZOPHVCG-CMPLNLGQSA-N 2 2 236.319 0.194 20 0 BCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cnccn1 ZINC000330881644 386908681 /nfs/dbraw/zinc/90/86/81/386908681.db2.gz NVLJSYRZOPHVCG-CMPLNLGQSA-N 2 2 236.319 0.194 20 0 BCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cnccn1 ZINC000330881645 386909006 /nfs/dbraw/zinc/90/90/06/386909006.db2.gz NVLJSYRZOPHVCG-JQWIXIFHSA-N 2 2 236.319 0.194 20 0 BCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cnccn1 ZINC000330881645 386909008 /nfs/dbraw/zinc/90/90/08/386909008.db2.gz NVLJSYRZOPHVCG-JQWIXIFHSA-N 2 2 236.319 0.194 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)[C@@H](C)C1 ZINC000417393746 386922797 /nfs/dbraw/zinc/92/27/97/386922797.db2.gz COAPBMJCVCJOQT-FIQHERPVSA-N 2 2 212.337 0.830 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)[C@@H](C)C1 ZINC000417393746 386922801 /nfs/dbraw/zinc/92/28/01/386922801.db2.gz COAPBMJCVCJOQT-FIQHERPVSA-N 2 2 212.337 0.830 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2C[C@@](C)(O)C2)C1 ZINC000417393759 386923184 /nfs/dbraw/zinc/92/31/84/386923184.db2.gz COAPBMJCVCJOQT-WYUUTHIRSA-N 2 2 212.337 0.830 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2C[C@@](C)(O)C2)C1 ZINC000417393759 386923191 /nfs/dbraw/zinc/92/31/91/386923191.db2.gz COAPBMJCVCJOQT-WYUUTHIRSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccncc1 ZINC000358264131 386924331 /nfs/dbraw/zinc/92/43/31/386924331.db2.gz YJBOPYNPNHCHFC-DGCLKSJQSA-N 2 2 235.331 0.799 20 0 BCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccncc1 ZINC000358264131 386924337 /nfs/dbraw/zinc/92/43/37/386924337.db2.gz YJBOPYNPNHCHFC-DGCLKSJQSA-N 2 2 235.331 0.799 20 0 BCADLP Cc1cc(NC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc[nH+]1 ZINC000334822833 386952337 /nfs/dbraw/zinc/95/23/37/386952337.db2.gz FUHWFPPMFFGFTB-KWQFWETISA-N 2 2 234.303 0.623 20 0 BCADLP CC(=O)N1CCC([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000358411488 386952689 /nfs/dbraw/zinc/95/26/89/386952689.db2.gz YYEPDNDQJQSVSD-GWCFXTLKSA-N 2 2 239.363 0.537 20 0 BCADLP CC(=O)N1CCC([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000358411488 386952691 /nfs/dbraw/zinc/95/26/91/386952691.db2.gz YYEPDNDQJQSVSD-GWCFXTLKSA-N 2 2 239.363 0.537 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](CO)[C@@H]1C ZINC000395167116 386953532 /nfs/dbraw/zinc/95/35/32/386953532.db2.gz GHPWRJJOBWAKOT-CMPLNLGQSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000395167116 386953534 /nfs/dbraw/zinc/95/35/34/386953534.db2.gz GHPWRJJOBWAKOT-CMPLNLGQSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](CO)[C@H]1C ZINC000395167120 386954986 /nfs/dbraw/zinc/95/49/86/386954986.db2.gz GHPWRJJOBWAKOT-PWSUYJOCSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC000395167120 386954995 /nfs/dbraw/zinc/95/49/95/386954995.db2.gz GHPWRJJOBWAKOT-PWSUYJOCSA-N 2 2 223.320 0.894 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000518978331 386967664 /nfs/dbraw/zinc/96/76/64/386967664.db2.gz MEBDCOUCYAGZHL-ZJUUUORDSA-N 2 2 209.297 0.008 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)CC)C[C@H](C)O1 ZINC000518995660 386978805 /nfs/dbraw/zinc/97/88/05/386978805.db2.gz DXLLQAJZMDKSAM-YNEHKIRRSA-N 2 2 244.379 0.798 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)CC)C[C@H](C)O1 ZINC000518995660 386978813 /nfs/dbraw/zinc/97/88/13/386978813.db2.gz DXLLQAJZMDKSAM-YNEHKIRRSA-N 2 2 244.379 0.798 20 0 BCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)CC)C[C@H](C)O1 ZINC000518995660 386978818 /nfs/dbraw/zinc/97/88/18/386978818.db2.gz DXLLQAJZMDKSAM-YNEHKIRRSA-N 2 2 244.379 0.798 20 0 BCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)CC)C[C@H](C)O1 ZINC000518995660 386978823 /nfs/dbraw/zinc/97/88/23/386978823.db2.gz DXLLQAJZMDKSAM-YNEHKIRRSA-N 2 2 244.379 0.798 20 0 BCADLP O=C1CC[C@@H]([NH2+]CCn2cc[nH+]c2)[C@@H](C2CC2)N1 ZINC000368500846 386981451 /nfs/dbraw/zinc/98/14/51/386981451.db2.gz YQNDAYGJSKVXAT-DGCLKSJQSA-N 2 2 248.330 0.530 20 0 BCADLP Cc1nc(N[C@H](C)CC[NH+](C)C)nc(N)[nH+]1 ZINC000304566637 387005112 /nfs/dbraw/zinc/00/51/12/387005112.db2.gz ZJHXBRGYCVKUGH-SSDOTTSWSA-N 2 2 224.312 0.514 20 0 BCADLP Cc1nc(N)nc(N[C@H](C)CC[NH+](C)C)[nH+]1 ZINC000304566637 387005118 /nfs/dbraw/zinc/00/51/18/387005118.db2.gz ZJHXBRGYCVKUGH-SSDOTTSWSA-N 2 2 224.312 0.514 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000334820369 386949030 /nfs/dbraw/zinc/94/90/30/386949030.db2.gz GGJBPGFSEATVEK-NSHDSACASA-N 2 2 248.330 0.933 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000334821875 386951475 /nfs/dbraw/zinc/95/14/75/386951475.db2.gz NKDDPUAXSVHXFZ-ZYHUDNBSSA-N 2 2 248.330 0.931 20 0 BCADLP Cc1cc(NC(=O)N(C)C2C[NH2+]C2)cc[nH+]1 ZINC000334822899 386951564 /nfs/dbraw/zinc/95/15/64/386951564.db2.gz GNKREWDVVUZQPS-UHFFFAOYSA-N 2 2 220.276 0.247 20 0 BCADLP c1nc(N2CC[C@@H]3C[NH2+]C[C@@H]32)cc(NC2CC2)[nH+]1 ZINC000333467089 387037539 /nfs/dbraw/zinc/03/75/39/387037539.db2.gz AJPNDLOHYZKHFH-KOLCDFICSA-N 2 2 245.330 0.849 20 0 BCADLP CO[C@H]1CC[N@H+](CCOCC2CC2)[C@H](C[NH3+])C1 ZINC000359050189 387050473 /nfs/dbraw/zinc/05/04/73/387050473.db2.gz XZJSWHHZXNWWEV-STQMWFEESA-N 2 2 242.363 0.851 20 0 BCADLP CO[C@H]1CC[N@@H+](CCOCC2CC2)[C@H](C[NH3+])C1 ZINC000359050189 387050479 /nfs/dbraw/zinc/05/04/79/387050479.db2.gz XZJSWHHZXNWWEV-STQMWFEESA-N 2 2 242.363 0.851 20 0 BCADLP C[C@H](C[NH2+][C@@H](C)CC(N)=O)[N@H+](C)C1CC1 ZINC000336764558 387059154 /nfs/dbraw/zinc/05/91/54/387059154.db2.gz QGHBVFXSRXCCNF-DTWKUNHWSA-N 2 2 213.325 0.323 20 0 BCADLP C[C@H](C[NH2+][C@@H](C)CC(N)=O)[N@@H+](C)C1CC1 ZINC000336764558 387059155 /nfs/dbraw/zinc/05/91/55/387059155.db2.gz QGHBVFXSRXCCNF-DTWKUNHWSA-N 2 2 213.325 0.323 20 0 BCADLP C[NH+](C)CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC000359179453 387065109 /nfs/dbraw/zinc/06/51/09/387065109.db2.gz QUCSRJYGAPYROO-UHFFFAOYSA-N 2 2 240.307 0.028 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000369735327 387065492 /nfs/dbraw/zinc/06/54/92/387065492.db2.gz DZLZONQCFNQNPF-MNOVXSKESA-N 2 2 227.352 0.666 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000369735327 387065493 /nfs/dbraw/zinc/06/54/93/387065493.db2.gz DZLZONQCFNQNPF-MNOVXSKESA-N 2 2 227.352 0.666 20 0 BCADLP C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000399487095 387016600 /nfs/dbraw/zinc/01/66/00/387016600.db2.gz RWWLWJKVQGYDAK-RTXFEEFZSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@@H]1CC[C@@H](O)C[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000399487095 387016603 /nfs/dbraw/zinc/01/66/03/387016603.db2.gz RWWLWJKVQGYDAK-RTXFEEFZSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@@H]1CC[C@@H](O)C[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000399487095 387016606 /nfs/dbraw/zinc/01/66/06/387016606.db2.gz RWWLWJKVQGYDAK-RTXFEEFZSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@@H]1CC[C@@H](O)C[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000399487095 387016609 /nfs/dbraw/zinc/01/66/09/387016609.db2.gz RWWLWJKVQGYDAK-RTXFEEFZSA-N 2 2 242.363 0.287 20 0 BCADLP CN(C)c1ncc(C[NH2+][C@H]2CCCC[NH2+]C2)cn1 ZINC000333134299 387018124 /nfs/dbraw/zinc/01/81/24/387018124.db2.gz KBYVMJGSOCTQGM-LBPRGKRZSA-N 2 2 249.362 0.774 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2C[C@@H](O)C2)n1C ZINC000425366856 387023879 /nfs/dbraw/zinc/02/38/79/387023879.db2.gz GRJMUYBYKZNETR-WAAGHKOSSA-N 2 2 224.308 0.099 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334982018 387069570 /nfs/dbraw/zinc/06/95/70/387069570.db2.gz XOCTUWCNQCFJJT-CYBMUJFWSA-N 2 2 239.363 0.587 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334982018 387069572 /nfs/dbraw/zinc/06/95/72/387069572.db2.gz XOCTUWCNQCFJJT-CYBMUJFWSA-N 2 2 239.363 0.587 20 0 BCADLP C[C@@H]1C[C@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC[NH2+]1 ZINC000370094799 387088705 /nfs/dbraw/zinc/08/87/05/387088705.db2.gz OYDYAVRCGXPBHE-IWSPIJDZSA-N 2 2 247.289 0.240 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000070799845 387090721 /nfs/dbraw/zinc/09/07/21/387090721.db2.gz BKOAZKZVKYEDJN-GHMZBOCLSA-N 2 2 227.352 0.442 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000070799845 387090726 /nfs/dbraw/zinc/09/07/26/387090726.db2.gz BKOAZKZVKYEDJN-GHMZBOCLSA-N 2 2 227.352 0.442 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000070799875 387091210 /nfs/dbraw/zinc/09/12/10/387091210.db2.gz JIBFJWPIIHEHEM-LLVKDONJSA-N 2 2 227.352 0.396 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000070799875 387091215 /nfs/dbraw/zinc/09/12/15/387091215.db2.gz JIBFJWPIIHEHEM-LLVKDONJSA-N 2 2 227.352 0.396 20 0 BCADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000359457992 387105815 /nfs/dbraw/zinc/10/58/15/387105815.db2.gz JZVNUAPKIAUTMW-UWVGGRQHSA-N 2 2 249.314 0.453 20 0 BCADLP CN(C)c1nccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000359472057 387108310 /nfs/dbraw/zinc/10/83/10/387108310.db2.gz JYMKBNKMKCIGRU-PHIMTYICSA-N 2 2 247.346 0.194 20 0 BCADLP CN(C)c1nccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000359472057 387108314 /nfs/dbraw/zinc/10/83/14/387108314.db2.gz JYMKBNKMKCIGRU-PHIMTYICSA-N 2 2 247.346 0.194 20 0 BCADLP COC(=O)c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c[nH]1 ZINC000359469806 387108664 /nfs/dbraw/zinc/10/86/64/387108664.db2.gz BNSZRFHVGFTJMO-PHIMTYICSA-N 2 2 249.314 0.453 20 0 BCADLP COC(=O)c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c[nH]1 ZINC000359469806 387108669 /nfs/dbraw/zinc/10/86/69/387108669.db2.gz BNSZRFHVGFTJMO-PHIMTYICSA-N 2 2 249.314 0.453 20 0 BCADLP Cc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)n(C)n1 ZINC000335028340 387121965 /nfs/dbraw/zinc/12/19/65/387121965.db2.gz IHCSMLHPPWHTOE-JOYOIKCWSA-N 2 2 222.336 0.816 20 0 BCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000072361163 387125344 /nfs/dbraw/zinc/12/53/44/387125344.db2.gz FZCDGMLDYHALLN-JTQLQIEISA-N 2 2 236.319 0.160 20 0 BCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000072361163 387125347 /nfs/dbraw/zinc/12/53/47/387125347.db2.gz FZCDGMLDYHALLN-JTQLQIEISA-N 2 2 236.319 0.160 20 0 BCADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C[NH3+] ZINC000571763821 387163976 /nfs/dbraw/zinc/16/39/76/387163976.db2.gz SGTFTLDWCWNFHS-UHFFFAOYSA-N 2 2 238.335 0.643 20 0 BCADLP c1[nH]nc2c1cccc2C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000571770936 387165802 /nfs/dbraw/zinc/16/58/02/387165802.db2.gz MYDXOQMZBYEPSV-LBPRGKRZSA-N 2 2 246.314 0.641 20 0 BCADLP c1[nH]nc2c1cccc2C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000571770935 387166306 /nfs/dbraw/zinc/16/63/06/387166306.db2.gz MYDXOQMZBYEPSV-GFCCVEGCSA-N 2 2 246.314 0.641 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423331650 387175480 /nfs/dbraw/zinc/17/54/80/387175480.db2.gz CQORYPTUMLARAO-SMDDNHRTSA-N 3 2 235.375 0.978 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423331650 387175484 /nfs/dbraw/zinc/17/54/84/387175484.db2.gz CQORYPTUMLARAO-SMDDNHRTSA-N 3 2 235.375 0.978 20 0 BCADLP C[N@H+](CCN1CCCC1=O)[C@H](C[NH3+])C1CC1 ZINC000359869350 387178071 /nfs/dbraw/zinc/17/80/71/387178071.db2.gz DMGFIFHUVAMPJW-LLVKDONJSA-N 2 2 225.336 0.278 20 0 BCADLP C[N@@H+](CCN1CCCC1=O)[C@H](C[NH3+])C1CC1 ZINC000359869350 387178076 /nfs/dbraw/zinc/17/80/76/387178076.db2.gz DMGFIFHUVAMPJW-LLVKDONJSA-N 2 2 225.336 0.278 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1NCC(F)(F)C[NH3+] ZINC000423338708 387187442 /nfs/dbraw/zinc/18/74/42/387187442.db2.gz ILEPLAWHHBSIFI-HTQZYQBOSA-N 2 2 207.268 0.120 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1NCC(F)(F)C[NH3+] ZINC000423338708 387187444 /nfs/dbraw/zinc/18/74/44/387187444.db2.gz ILEPLAWHHBSIFI-HTQZYQBOSA-N 2 2 207.268 0.120 20 0 BCADLP C[C@H](C1CC1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000120523497 387187917 /nfs/dbraw/zinc/18/79/17/387187917.db2.gz RDRMMYPWCLFYAC-LLVKDONJSA-N 2 2 239.363 0.491 20 0 BCADLP C[C@H](C1CC1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000120523497 387187920 /nfs/dbraw/zinc/18/79/20/387187920.db2.gz RDRMMYPWCLFYAC-LLVKDONJSA-N 2 2 239.363 0.491 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1NCC(F)(F)C[NH3+] ZINC000423338715 387188362 /nfs/dbraw/zinc/18/83/62/387188362.db2.gz ILEPLAWHHBSIFI-JGVFFNPUSA-N 2 2 207.268 0.120 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1NCC(F)(F)C[NH3+] ZINC000423338715 387188365 /nfs/dbraw/zinc/18/83/65/387188365.db2.gz ILEPLAWHHBSIFI-JGVFFNPUSA-N 2 2 207.268 0.120 20 0 BCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287931 387137955 /nfs/dbraw/zinc/13/79/55/387137955.db2.gz LDMFSEVJHXRHBR-MXWKQRLJSA-N 2 2 225.336 0.052 20 0 BCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287931 387137959 /nfs/dbraw/zinc/13/79/59/387137959.db2.gz LDMFSEVJHXRHBR-MXWKQRLJSA-N 2 2 225.336 0.052 20 0 BCADLP C[C@@H]1C[C@@H](NCC(F)(F)C[NH3+])C[N@@H+]1C1CC1 ZINC000423350585 387202996 /nfs/dbraw/zinc/20/29/96/387202996.db2.gz ZTYGATIIRQFUHB-RKDXNWHRSA-N 2 2 233.306 0.795 20 0 BCADLP C[C@@H]1C[C@@H](NCC(F)(F)C[NH3+])C[N@H+]1C1CC1 ZINC000423350585 387202999 /nfs/dbraw/zinc/20/29/99/387202999.db2.gz ZTYGATIIRQFUHB-RKDXNWHRSA-N 2 2 233.306 0.795 20 0 BCADLP COC[C@H](O)CC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000300409753 387205789 /nfs/dbraw/zinc/20/57/89/387205789.db2.gz SMGCIBDGQJKOLF-GMXVVIOVSA-N 2 2 242.363 0.599 20 0 BCADLP COC[C@H](O)CC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000300409753 387205792 /nfs/dbraw/zinc/20/57/92/387205792.db2.gz SMGCIBDGQJKOLF-GMXVVIOVSA-N 2 2 242.363 0.599 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423356498 387206815 /nfs/dbraw/zinc/20/68/15/387206815.db2.gz JZYUGLTXBUFMIG-JHJVBQTASA-N 3 2 241.379 0.485 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423357129 387208762 /nfs/dbraw/zinc/20/87/62/387208762.db2.gz HUJDKORRHKQFJS-LOWDOPEQSA-N 3 2 241.379 0.341 20 0 BCADLP CC(C)[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000571992281 387216939 /nfs/dbraw/zinc/21/69/39/387216939.db2.gz CUEQYHWXBBGIGU-NEPJUHHUSA-N 2 2 212.337 0.999 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+]CCCc1cnn(C)c1 ZINC000313983151 387222557 /nfs/dbraw/zinc/22/25/57/387222557.db2.gz MNIDGGNCQZUVFN-NSHDSACASA-N 2 2 224.352 0.892 20 0 BCADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]2CCC[C@H]21 ZINC000423420050 387248888 /nfs/dbraw/zinc/24/88/88/387248888.db2.gz AQZUNBCJMHXBHN-BSCCGWMCSA-N 3 2 235.375 0.667 20 0 BCADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]2CCC[C@H]21 ZINC000423420050 387248892 /nfs/dbraw/zinc/24/88/92/387248892.db2.gz AQZUNBCJMHXBHN-BSCCGWMCSA-N 3 2 235.375 0.667 20 0 BCADLP C[C@H]1C[C@H]([NH2+]Cc2ccn(C)n2)CC[N@@H+]1C ZINC000097604737 387250686 /nfs/dbraw/zinc/25/06/86/387250686.db2.gz ICGDEIDLIZWORE-WDEREUQCSA-N 2 2 222.336 0.992 20 0 BCADLP C[C@H]1C[C@H]([NH2+]Cc2ccn(C)n2)CC[N@H+]1C ZINC000097604737 387250689 /nfs/dbraw/zinc/25/06/89/387250689.db2.gz ICGDEIDLIZWORE-WDEREUQCSA-N 2 2 222.336 0.992 20 0 BCADLP C[C@@H](Cn1cccn1)[NH2+]CC[NH+]1CCCC1 ZINC000230318833 387261831 /nfs/dbraw/zinc/26/18/31/387261831.db2.gz KROSFABDGGBRPJ-LBPRGKRZSA-N 2 2 222.336 0.957 20 0 BCADLP C[NH2+][C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000423387835 387271033 /nfs/dbraw/zinc/27/10/33/387271033.db2.gz KEWAWQUWCVOZFK-DDHJBXDOSA-N 3 2 213.369 0.913 20 0 BCADLP C[NH2+][C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000423387835 387271036 /nfs/dbraw/zinc/27/10/36/387271036.db2.gz KEWAWQUWCVOZFK-DDHJBXDOSA-N 3 2 213.369 0.913 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423391280 387276385 /nfs/dbraw/zinc/27/63/85/387276385.db2.gz KQQFMJGFNQOTDP-WISYIIOYSA-N 3 2 211.353 0.572 20 0 BCADLP c1cn(CC[N@@H+]2CCO[C@H](C3CC3)C2)c[nH+]1 ZINC000372265775 387287359 /nfs/dbraw/zinc/28/73/59/387287359.db2.gz BWHCNTUPZNERIL-LBPRGKRZSA-N 2 2 221.304 0.994 20 0 BCADLP c1cn(CC[N@H+]2CCO[C@H](C3CC3)C2)c[nH+]1 ZINC000372265775 387287361 /nfs/dbraw/zinc/28/73/61/387287361.db2.gz BWHCNTUPZNERIL-LBPRGKRZSA-N 2 2 221.304 0.994 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000514795519 387292590 /nfs/dbraw/zinc/29/25/90/387292590.db2.gz VIZMHCACOZEQJV-UPJWGTAASA-N 2 2 244.379 0.798 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000514795519 387292595 /nfs/dbraw/zinc/29/25/95/387292595.db2.gz VIZMHCACOZEQJV-UPJWGTAASA-N 2 2 244.379 0.798 20 0 BCADLP CC[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000514859099 387297297 /nfs/dbraw/zinc/29/72/97/387297297.db2.gz HDWOILCFIWOXSC-SNVBAGLBSA-N 2 2 236.319 0.501 20 0 BCADLP CC(C)[C@H](NC(=O)[C@@H]1CC[NH2+]C1)c1[nH]cc[nH+]1 ZINC000514857284 387298258 /nfs/dbraw/zinc/29/82/58/387298258.db2.gz JOVVYJRYFYZOKV-ZJUUUORDSA-N 2 2 236.319 0.833 20 0 BCADLP O=C1CCN(C[NH2+][C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000372469601 387305850 /nfs/dbraw/zinc/30/58/50/387305850.db2.gz ZBHQCGLIATVNGY-NSHDSACASA-N 2 2 248.330 0.410 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538472 387364019 /nfs/dbraw/zinc/36/40/19/387364019.db2.gz MZIJSXGMIHVGBM-YPMHNXCESA-N 3 2 223.364 0.836 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538472 387364022 /nfs/dbraw/zinc/36/40/22/387364022.db2.gz MZIJSXGMIHVGBM-YPMHNXCESA-N 3 2 223.364 0.836 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502429 387366061 /nfs/dbraw/zinc/36/60/61/387366061.db2.gz GBXAAVOYKAAIAV-QJPTWQEYSA-N 3 2 211.353 0.846 20 0 BCADLP C[C@H](C[NH3+])NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000515404979 387377189 /nfs/dbraw/zinc/37/71/89/387377189.db2.gz GDYIUPZPKHXBDE-MRVPVSSYSA-N 2 2 233.275 0.803 20 0 BCADLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)[C@H]1C[C@H]1C ZINC000423569031 387379795 /nfs/dbraw/zinc/37/97/95/387379795.db2.gz MQNZDXPTXKRANL-RHYQMDGZSA-N 2 2 212.337 0.999 20 0 BCADLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)[C@H]1C[C@@H]1C ZINC000423569028 387379839 /nfs/dbraw/zinc/37/98/39/387379839.db2.gz MQNZDXPTXKRANL-BJDJZHNGSA-N 2 2 212.337 0.999 20 0 BCADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423580714 387382189 /nfs/dbraw/zinc/38/21/89/387382189.db2.gz YEQZKSYXXHPQQL-AVGNSLFASA-N 2 2 242.363 0.770 20 0 BCADLP COCC1CCC([NH2+]C[C@H]2C[NH2+]CCO2)CC1 ZINC000423580485 387382601 /nfs/dbraw/zinc/38/26/01/387382601.db2.gz XTUXRNLOYCFMGA-WXRRBKDZSA-N 2 2 242.363 0.770 20 0 BCADLP Cc1n[nH]cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000336503671 387329421 /nfs/dbraw/zinc/32/94/21/387329421.db2.gz QWVPUWYZGDGZTC-CMPLNLGQSA-N 2 2 220.320 0.902 20 0 BCADLP Cc1n[nH]cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000336503671 387329425 /nfs/dbraw/zinc/32/94/25/387329425.db2.gz QWVPUWYZGDGZTC-CMPLNLGQSA-N 2 2 220.320 0.902 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC000336508960 387333556 /nfs/dbraw/zinc/33/35/56/387333556.db2.gz HIJHGCBTTAUQAY-MNOVXSKESA-N 2 2 225.336 0.149 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC000336508960 387333560 /nfs/dbraw/zinc/33/35/60/387333560.db2.gz HIJHGCBTTAUQAY-MNOVXSKESA-N 2 2 225.336 0.149 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC000336508959 387334130 /nfs/dbraw/zinc/33/41/30/387334130.db2.gz HIJHGCBTTAUQAY-GHMZBOCLSA-N 2 2 225.336 0.149 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC000336508959 387334136 /nfs/dbraw/zinc/33/41/36/387334136.db2.gz HIJHGCBTTAUQAY-GHMZBOCLSA-N 2 2 225.336 0.149 20 0 BCADLP Cn1ccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000515234153 387352405 /nfs/dbraw/zinc/35/24/05/387352405.db2.gz CRVUFTHIBXVQHL-ZDUSSCGKSA-N 2 2 237.347 0.570 20 0 BCADLP Cn1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000515234153 387352409 /nfs/dbraw/zinc/35/24/09/387352409.db2.gz CRVUFTHIBXVQHL-ZDUSSCGKSA-N 2 2 237.347 0.570 20 0 BCADLP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423580715 387383857 /nfs/dbraw/zinc/38/38/57/387383857.db2.gz YEQZKSYXXHPQQL-RWMBFGLXSA-N 2 2 242.363 0.770 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360817077 387354042 /nfs/dbraw/zinc/35/40/42/387354042.db2.gz LRQFHYHRUDGROH-DJLDLDEBSA-N 2 2 247.289 0.227 20 0 BCADLP Cc1ccc2[nH+]c(CNC(=O)[C@H]3CC[NH2+]3)cn2c1 ZINC000336620072 387461366 /nfs/dbraw/zinc/46/13/66/387461366.db2.gz FGLBDDAFNGDDLA-LLVKDONJSA-N 2 2 244.298 0.621 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC(=O)NC1CCCC1 ZINC000643469802 387428275 /nfs/dbraw/zinc/42/82/75/387428275.db2.gz UBIOUUHGUKIVPP-JQWIXIFHSA-N 2 2 239.363 0.633 20 0 BCADLP O=C1OCC[C@H]1[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374197324 387429623 /nfs/dbraw/zinc/42/96/23/387429623.db2.gz CCLUXSPMDNFZRP-LLVKDONJSA-N 2 2 235.287 0.905 20 0 BCADLP CC[C@@H](C(N)=O)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374207747 387432859 /nfs/dbraw/zinc/43/28/59/387432859.db2.gz KFYIINAVCVTDHM-NSHDSACASA-N 2 2 236.319 0.853 20 0 BCADLP CC[C@@H](C(N)=O)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374207747 387432861 /nfs/dbraw/zinc/43/28/61/387432861.db2.gz KFYIINAVCVTDHM-NSHDSACASA-N 2 2 236.319 0.853 20 0 BCADLP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@H]1COC[C@H]1O ZINC000352807214 387498432 /nfs/dbraw/zinc/49/84/32/387498432.db2.gz WQXAKHSPXITLRC-GRYCIOLGSA-N 2 2 228.336 0.162 20 0 BCADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1COC[C@H]1O ZINC000352807214 387498436 /nfs/dbraw/zinc/49/84/36/387498436.db2.gz WQXAKHSPXITLRC-GRYCIOLGSA-N 2 2 228.336 0.162 20 0 BCADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]1COC[C@H]1O ZINC000352807214 387498439 /nfs/dbraw/zinc/49/84/39/387498439.db2.gz WQXAKHSPXITLRC-GRYCIOLGSA-N 2 2 228.336 0.162 20 0 BCADLP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]1COC[C@H]1O ZINC000352807214 387498442 /nfs/dbraw/zinc/49/84/42/387498442.db2.gz WQXAKHSPXITLRC-GRYCIOLGSA-N 2 2 228.336 0.162 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1COC(C)(C)C1 ZINC000396864583 387506692 /nfs/dbraw/zinc/50/66/92/387506692.db2.gz SYKWFFLZSDBPJH-NWDGAFQWSA-N 2 2 241.379 0.389 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1COC(C)(C)C1 ZINC000396864583 387506695 /nfs/dbraw/zinc/50/66/95/387506695.db2.gz SYKWFFLZSDBPJH-NWDGAFQWSA-N 2 2 241.379 0.389 20 0 BCADLP COC(=O)CC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000375231055 387519038 /nfs/dbraw/zinc/51/90/38/387519038.db2.gz VOJFCZIOHUTLEF-MNOVXSKESA-N 2 2 226.320 0.576 20 0 BCADLP COC(=O)CC[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000375231055 387519045 /nfs/dbraw/zinc/51/90/45/387519045.db2.gz VOJFCZIOHUTLEF-MNOVXSKESA-N 2 2 226.320 0.576 20 0 BCADLP COC(=O)CC[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000375231055 387519048 /nfs/dbraw/zinc/51/90/48/387519048.db2.gz VOJFCZIOHUTLEF-MNOVXSKESA-N 2 2 226.320 0.576 20 0 BCADLP COC(=O)CC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000375231055 387519052 /nfs/dbraw/zinc/51/90/52/387519052.db2.gz VOJFCZIOHUTLEF-MNOVXSKESA-N 2 2 226.320 0.576 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000426133899 387539990 /nfs/dbraw/zinc/53/99/90/387539990.db2.gz OUBZURXNOVAGSG-SNVBAGLBSA-N 2 2 236.319 0.354 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000426133899 387539996 /nfs/dbraw/zinc/53/99/96/387539996.db2.gz OUBZURXNOVAGSG-SNVBAGLBSA-N 2 2 236.319 0.354 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000426133898 387540010 /nfs/dbraw/zinc/54/00/10/387540010.db2.gz OUBZURXNOVAGSG-JTQLQIEISA-N 2 2 236.319 0.354 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000426133898 387540015 /nfs/dbraw/zinc/54/00/15/387540015.db2.gz OUBZURXNOVAGSG-JTQLQIEISA-N 2 2 236.319 0.354 20 0 BCADLP CCc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cn1 ZINC000352739616 387467350 /nfs/dbraw/zinc/46/73/50/387467350.db2.gz PNBJEVQIUOLWEI-CQSZACIVSA-N 2 2 249.358 0.800 20 0 BCADLP CCc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cn1 ZINC000352739616 387467353 /nfs/dbraw/zinc/46/73/53/387467353.db2.gz PNBJEVQIUOLWEI-CQSZACIVSA-N 2 2 249.358 0.800 20 0 BCADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643508040 387481756 /nfs/dbraw/zinc/48/17/56/387481756.db2.gz CYADGTYXHGNYFQ-PWSUYJOCSA-N 3 2 211.353 0.716 20 0 BCADLP CCN(C)C(=O)[C@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000516315159 387492159 /nfs/dbraw/zinc/49/21/59/387492159.db2.gz IJMTZQUQQFNANG-VIFPVBQESA-N 2 2 238.335 0.685 20 0 BCADLP C[N@H+](CCC[NH+]1CCCCC1)[C@@H]1COC[C@H]1O ZINC000352803696 387492277 /nfs/dbraw/zinc/49/22/77/387492277.db2.gz ZBQZTYZEJUPMAU-CHWSQXEVSA-N 2 2 242.363 0.554 20 0 BCADLP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1COC[C@H]1O ZINC000352803696 387492282 /nfs/dbraw/zinc/49/22/82/387492282.db2.gz ZBQZTYZEJUPMAU-CHWSQXEVSA-N 2 2 242.363 0.554 20 0 BCADLP CC[NH+]1CCC([N@H+](C)CC(=O)NC)CC1 ZINC000362185392 387582488 /nfs/dbraw/zinc/58/24/88/387582488.db2.gz KWXJLNYEJLFXGD-UHFFFAOYSA-N 2 2 213.325 0.149 20 0 BCADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NC)CC1 ZINC000362185392 387582491 /nfs/dbraw/zinc/58/24/91/387582491.db2.gz KWXJLNYEJLFXGD-UHFFFAOYSA-N 2 2 213.325 0.149 20 0 BCADLP CCn1cccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c1=O ZINC000433052310 387591618 /nfs/dbraw/zinc/59/16/18/387591618.db2.gz KVULBHSTPYMCRS-YPMHNXCESA-N 2 2 249.358 0.908 20 0 BCADLP CCn1cccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c1=O ZINC000433052310 387591623 /nfs/dbraw/zinc/59/16/23/387591623.db2.gz KVULBHSTPYMCRS-YPMHNXCESA-N 2 2 249.358 0.908 20 0 BCADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@H](O)C2)n1C ZINC000362295503 387591741 /nfs/dbraw/zinc/59/17/41/387591741.db2.gz MDDURLSBFWPKMM-LLVKDONJSA-N 2 2 238.335 0.443 20 0 BCADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@H](O)C2)n1C ZINC000362295503 387591743 /nfs/dbraw/zinc/59/17/43/387591743.db2.gz MDDURLSBFWPKMM-LLVKDONJSA-N 2 2 238.335 0.443 20 0 BCADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@H]2CO)n1C ZINC000362282666 387592059 /nfs/dbraw/zinc/59/20/59/387592059.db2.gz HOKRFMWILALGBO-SNVBAGLBSA-N 2 2 238.335 0.443 20 0 BCADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@H]2CO)n1C ZINC000362282666 387592063 /nfs/dbraw/zinc/59/20/63/387592063.db2.gz HOKRFMWILALGBO-SNVBAGLBSA-N 2 2 238.335 0.443 20 0 BCADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@@H](O)C2)n1C ZINC000362282352 387592543 /nfs/dbraw/zinc/59/25/43/387592543.db2.gz GKXJKABZNWPTOR-SNVBAGLBSA-N 2 2 224.308 0.053 20 0 BCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@@H](O)C2)n1C ZINC000362282352 387592549 /nfs/dbraw/zinc/59/25/49/387592549.db2.gz GKXJKABZNWPTOR-SNVBAGLBSA-N 2 2 224.308 0.053 20 0 BCADLP Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@H](C)C[NH3+])C2 ZINC000375977555 387598273 /nfs/dbraw/zinc/59/82/73/387598273.db2.gz YKHDCBMZAFVGRI-SCZZXKLOSA-N 2 2 236.319 0.217 20 0 BCADLP C[NH2+]CCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422607984 387606178 /nfs/dbraw/zinc/60/61/78/387606178.db2.gz LSHLWRIVBKRKLB-UHFFFAOYSA-N 2 2 236.319 0.717 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC000362398559 387607464 /nfs/dbraw/zinc/60/74/64/387607464.db2.gz UIMXIRBXWBZSJI-GFCCVEGCSA-N 2 2 239.363 0.492 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC000362398559 387607467 /nfs/dbraw/zinc/60/74/67/387607467.db2.gz UIMXIRBXWBZSJI-GFCCVEGCSA-N 2 2 239.363 0.492 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC000362398559 387607470 /nfs/dbraw/zinc/60/74/70/387607470.db2.gz UIMXIRBXWBZSJI-GFCCVEGCSA-N 2 2 239.363 0.492 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC000362398559 387607473 /nfs/dbraw/zinc/60/74/73/387607473.db2.gz UIMXIRBXWBZSJI-GFCCVEGCSA-N 2 2 239.363 0.492 20 0 BCADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422687715 387612150 /nfs/dbraw/zinc/61/21/50/387612150.db2.gz BYKASLQYIHTPCT-XQQFMLRXSA-N 3 2 225.380 0.916 20 0 BCADLP CC[N@H+]1CC[C@H](C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422687715 387612156 /nfs/dbraw/zinc/61/21/56/387612156.db2.gz BYKASLQYIHTPCT-XQQFMLRXSA-N 3 2 225.380 0.916 20 0 BCADLP COC[C@H](C)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422699251 387614944 /nfs/dbraw/zinc/61/49/44/387614944.db2.gz CTUJYCGWWMGAOS-WXHSDQCUSA-N 2 2 242.363 0.626 20 0 BCADLP C[C@@H]1C[C@@H]1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422698884 387615153 /nfs/dbraw/zinc/61/51/53/387615153.db2.gz BPZJBOGLVOQYCB-FOUMNBMASA-N 2 2 224.348 0.999 20 0 BCADLP C[C@@H]1C[C@@H]1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422698885 387616303 /nfs/dbraw/zinc/61/63/03/387616303.db2.gz BPZJBOGLVOQYCB-JHEVNIALSA-N 2 2 224.348 0.999 20 0 BCADLP OC1(C(F)F)CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000426262558 387553260 /nfs/dbraw/zinc/55/32/60/387553260.db2.gz XSOBMTNMYMFEBY-UHFFFAOYSA-N 2 2 245.273 0.975 20 0 BCADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)C(=O)N1CCCC1 ZINC000037249521 387563327 /nfs/dbraw/zinc/56/33/27/387563327.db2.gz RSWMKJAGJMAVJR-NSHDSACASA-N 2 2 239.363 0.681 20 0 BCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199343 387576964 /nfs/dbraw/zinc/57/69/64/387576964.db2.gz DQFYECHZPAWHOI-WDEREUQCSA-N 2 2 239.363 0.537 20 0 BCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199343 387576968 /nfs/dbraw/zinc/57/69/68/387576968.db2.gz DQFYECHZPAWHOI-WDEREUQCSA-N 2 2 239.363 0.537 20 0 BCADLP CCC[C@H](O)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422718685 387631197 /nfs/dbraw/zinc/63/11/97/387631197.db2.gz XHGFSRFOKJXOKC-VWYCJHECSA-N 2 2 200.326 0.735 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCN1CCSCC1 ZINC000422718037 387631905 /nfs/dbraw/zinc/63/19/05/387631905.db2.gz WQWFFDUFYXWYLE-NWDGAFQWSA-N 2 2 243.420 0.623 20 0 BCADLP C[C@H]([NH2+]CCN1CCOC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422720381 387632714 /nfs/dbraw/zinc/63/27/14/387632714.db2.gz SJXSRQYYWSHGNE-AVGNSLFASA-N 2 2 241.379 0.437 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@@H+]1CCN1CCCC1=O ZINC000430603434 387634049 /nfs/dbraw/zinc/63/40/49/387634049.db2.gz KCXKSCJQNFBZCC-LLVKDONJSA-N 2 2 225.336 0.422 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@H+]1CCN1CCCC1=O ZINC000430603434 387634054 /nfs/dbraw/zinc/63/40/54/387634054.db2.gz KCXKSCJQNFBZCC-LLVKDONJSA-N 2 2 225.336 0.422 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCN1CCCC1=O ZINC000430645789 387635875 /nfs/dbraw/zinc/63/58/75/387635875.db2.gz OITBDIDKACMQQB-NEPJUHHUSA-N 2 2 239.363 0.811 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCN1CCCC1=O ZINC000430645789 387635876 /nfs/dbraw/zinc/63/58/76/387635876.db2.gz OITBDIDKACMQQB-NEPJUHHUSA-N 2 2 239.363 0.811 20 0 BCADLP C[NH2+]CCCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000430674043 387637906 /nfs/dbraw/zinc/63/79/06/387637906.db2.gz HKDIHAIJAUPZSD-UHFFFAOYSA-N 2 2 246.314 0.950 20 0 BCADLP CCOCCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422729879 387638606 /nfs/dbraw/zinc/63/86/06/387638606.db2.gz LECXZJFDNVLWOP-STQMWFEESA-N 2 2 242.363 0.770 20 0 BCADLP CC(C)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422733867 387640409 /nfs/dbraw/zinc/64/04/09/387640409.db2.gz RUENFFVVLGQXAI-VXGBXAGGSA-N 2 2 212.337 0.999 20 0 BCADLP CC(C)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422733866 387640818 /nfs/dbraw/zinc/64/08/18/387640818.db2.gz RUENFFVVLGQXAI-RYUDHWBXSA-N 2 2 212.337 0.999 20 0 BCADLP [NH3+]CCC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000430693687 387641214 /nfs/dbraw/zinc/64/12/14/387641214.db2.gz OJYKQRBHYXLWSM-UHFFFAOYSA-N 2 2 236.319 0.227 20 0 BCADLP [NH3+]CCCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000430773301 387649649 /nfs/dbraw/zinc/64/96/49/387649649.db2.gz SCXFVLVDTRSNRK-UHFFFAOYSA-N 2 2 236.319 0.855 20 0 BCADLP [NH3+]CCCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000430773301 387649655 /nfs/dbraw/zinc/64/96/55/387649655.db2.gz SCXFVLVDTRSNRK-UHFFFAOYSA-N 2 2 236.319 0.855 20 0 BCADLP CCCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362824490 387662906 /nfs/dbraw/zinc/66/29/06/387662906.db2.gz AFOVCQPKMHPCTA-GFCCVEGCSA-N 2 2 239.363 0.683 20 0 BCADLP CCCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362824490 387662907 /nfs/dbraw/zinc/66/29/07/387662907.db2.gz AFOVCQPKMHPCTA-GFCCVEGCSA-N 2 2 239.363 0.683 20 0 BCADLP C[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccccc2)CC[C@H]1[NH3+] ZINC000430938213 387663707 /nfs/dbraw/zinc/66/37/07/387663707.db2.gz HDSRFFDQTRZGNN-RAIGVLPGSA-N 2 2 247.342 0.882 20 0 BCADLP C[C@@H]1C[N@H+]([C@@H](C(N)=O)c2ccccc2)CC[C@H]1[NH3+] ZINC000430938213 387663711 /nfs/dbraw/zinc/66/37/11/387663711.db2.gz HDSRFFDQTRZGNN-RAIGVLPGSA-N 2 2 247.342 0.882 20 0 BCADLP CCc1noc([C@@H](C)[N@@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000430961556 387665162 /nfs/dbraw/zinc/66/51/62/387665162.db2.gz OHSOAPQAYAIGAI-BDAKNGLRSA-N 2 2 224.308 0.974 20 0 BCADLP CCc1noc([C@@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000430961556 387665164 /nfs/dbraw/zinc/66/51/64/387665164.db2.gz OHSOAPQAYAIGAI-BDAKNGLRSA-N 2 2 224.308 0.974 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422770088 387667304 /nfs/dbraw/zinc/66/73/04/387667304.db2.gz PPBSYUFRGLGDNT-DCAQKATOSA-N 2 2 227.352 0.631 20 0 BCADLP CCNC(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422774851 387672716 /nfs/dbraw/zinc/67/27/16/387672716.db2.gz YRQQXDJFDKZZCU-AXFHLTTASA-N 2 2 227.352 0.631 20 0 BCADLP CC[C@H](F)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000440704822 387673664 /nfs/dbraw/zinc/67/36/64/387673664.db2.gz OPUIRGOBBONGPD-NSHDSACASA-N 2 2 245.342 0.440 20 0 BCADLP Cc1[nH]c(C(=O)NCC[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000422802982 387700916 /nfs/dbraw/zinc/70/09/16/387700916.db2.gz CBLGSFRPAQXZLT-JTQLQIEISA-N 2 2 236.319 0.838 20 0 BCADLP C([NH2+]C1COC1)[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000367480016 387716434 /nfs/dbraw/zinc/71/64/34/387716434.db2.gz HBELMIRZKAUDMW-AAEUAGOBSA-N 2 2 240.347 0.476 20 0 BCADLP C[NH+](C)[C@]1(C[NH2+][C@H]2CCC[C@H]2[NH3+])CCSC1 ZINC000422828086 387721892 /nfs/dbraw/zinc/72/18/92/387721892.db2.gz SSDFZLGQSLSLBZ-WOPDTQHZSA-N 3 2 243.420 0.893 20 0 BCADLP C[C@H]([NH2+][C@H]1CCCN(C)C1=O)[C@H]1CCC[NH2+]1 ZINC000422833123 387725873 /nfs/dbraw/zinc/72/58/73/387725873.db2.gz YLZVFYAZWRVZDY-AXFHLTTASA-N 2 2 225.336 0.337 20 0 BCADLP COCC[N@H+](C)CCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422848135 387734178 /nfs/dbraw/zinc/73/41/78/387734178.db2.gz SNPJDISCMZKOBH-QWHCGFSZSA-N 3 2 243.395 0.542 20 0 BCADLP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422848135 387734183 /nfs/dbraw/zinc/73/41/83/387734183.db2.gz SNPJDISCMZKOBH-QWHCGFSZSA-N 3 2 243.395 0.542 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313272851 387736182 /nfs/dbraw/zinc/73/61/82/387736182.db2.gz RRSWRBMLZGOHON-VHSXEESVSA-N 2 2 211.309 0.976 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC(=O)NCC2CC2)CC[N@@H+]1C ZINC000128131918 387737646 /nfs/dbraw/zinc/73/76/46/387737646.db2.gz ZJVNVYYLFNXIKQ-ZYHUDNBSSA-N 2 2 239.363 0.585 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC(=O)NCC2CC2)CC[N@H+]1C ZINC000128131918 387737650 /nfs/dbraw/zinc/73/76/50/387737650.db2.gz ZJVNVYYLFNXIKQ-ZYHUDNBSSA-N 2 2 239.363 0.585 20 0 BCADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422852228 387737946 /nfs/dbraw/zinc/73/79/46/387737946.db2.gz XSDVHFYMTWFICM-QWHCGFSZSA-N 3 2 243.395 0.685 20 0 BCADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422852228 387737951 /nfs/dbraw/zinc/73/79/51/387737951.db2.gz XSDVHFYMTWFICM-QWHCGFSZSA-N 3 2 243.395 0.685 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2COCCO2)C[N@@H+]1C1CC1 ZINC000129209819 387765349 /nfs/dbraw/zinc/76/53/49/387765349.db2.gz RFZMLKONOITTHU-NTZNESFSSA-N 2 2 240.347 0.617 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2COCCO2)C[N@H+]1C1CC1 ZINC000129209819 387765356 /nfs/dbraw/zinc/76/53/56/387765356.db2.gz RFZMLKONOITTHU-NTZNESFSSA-N 2 2 240.347 0.617 20 0 BCADLP C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422916869 387773051 /nfs/dbraw/zinc/77/30/51/387773051.db2.gz BTEKEDZEIRUYOI-NHCYSSNCSA-N 2 2 237.347 0.480 20 0 BCADLP C1CC1[C@@H]([NH2+][C@H]1CCSC1)[C@@H]1C[NH2+]CCO1 ZINC000422917640 387773153 /nfs/dbraw/zinc/77/31/53/387773153.db2.gz FJCKWOURBAATRW-SDDRHHMPSA-N 2 2 242.388 0.849 20 0 BCADLP CCOCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422901555 387786999 /nfs/dbraw/zinc/78/69/99/387786999.db2.gz SATYOWGZXIZTQJ-NEPJUHHUSA-N 2 2 228.336 0.380 20 0 BCADLP CCOCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422901557 387787193 /nfs/dbraw/zinc/78/71/93/387787193.db2.gz SATYOWGZXIZTQJ-RYUDHWBXSA-N 2 2 228.336 0.380 20 0 BCADLP COC[C@@H](CCO)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422982002 387794452 /nfs/dbraw/zinc/79/44/52/387794452.db2.gz UZPLNWKJRYLNRF-TUAOUCFPSA-N 2 2 230.352 0.504 20 0 BCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccoc1 ZINC000309503243 387809308 /nfs/dbraw/zinc/80/93/08/387809308.db2.gz BKWBMWSDKICXOB-JQWIXIFHSA-N 2 2 224.304 0.997 20 0 BCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccoc1 ZINC000309503243 387809313 /nfs/dbraw/zinc/80/93/13/387809313.db2.gz BKWBMWSDKICXOB-JQWIXIFHSA-N 2 2 224.304 0.997 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000442655598 387810545 /nfs/dbraw/zinc/81/05/45/387810545.db2.gz CULLPKFCLDALQR-QWRGUYRKSA-N 2 2 249.362 0.751 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000442655598 387810549 /nfs/dbraw/zinc/81/05/49/387810549.db2.gz CULLPKFCLDALQR-QWRGUYRKSA-N 2 2 249.362 0.751 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528011681 387823064 /nfs/dbraw/zinc/82/30/64/387823064.db2.gz MSMLMFZCJXTTFN-ZYHUDNBSSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528011681 387823071 /nfs/dbraw/zinc/82/30/71/387823071.db2.gz MSMLMFZCJXTTFN-ZYHUDNBSSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000423075738 387873302 /nfs/dbraw/zinc/87/33/02/387873302.db2.gz XSYFXSVQYJSBMQ-NWDGAFQWSA-N 3 2 229.368 0.152 20 0 BCADLP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424161601 387844801 /nfs/dbraw/zinc/84/48/01/387844801.db2.gz BTOQARPVEQJHCI-BDAKNGLRSA-N 2 2 249.305 0.203 20 0 BCADLP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424161603 387844958 /nfs/dbraw/zinc/84/49/58/387844958.db2.gz BTOQARPVEQJHCI-IUCAKERBSA-N 2 2 249.305 0.203 20 0 BCADLP CC(C)OCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423034840 387849804 /nfs/dbraw/zinc/84/98/04/387849804.db2.gz INXYKMKABLDWTK-STQMWFEESA-N 2 2 242.363 0.768 20 0 BCADLP CC(C)[C@H](C[NH3+])C(=O)N1CCn2cc[nH+]c2C1 ZINC000062252354 387851512 /nfs/dbraw/zinc/85/15/12/387851512.db2.gz IFVPLKHXEMOTSU-JTQLQIEISA-N 2 2 236.319 0.456 20 0 BCADLP CC(C)OCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423041904 387856029 /nfs/dbraw/zinc/85/60/29/387856029.db2.gz YBXIPMJGZMKCLU-WDEREUQCSA-N 2 2 200.326 0.999 20 0 BCADLP COC[C@H](C[NH2+][C@H]1C[NH2+]CC[C@@H]1C)OC ZINC000423051112 387859925 /nfs/dbraw/zinc/85/99/25/387859925.db2.gz ZWBUMPPAGSVXSY-DCAQKATOSA-N 2 2 216.325 0.235 20 0 BCADLP C[C@@H]([NH3+])C(=O)N(C)CCCn1cc[nH+]c1 ZINC000157640638 387861204 /nfs/dbraw/zinc/86/12/04/387861204.db2.gz NRNDDDMVMQJBPI-SECBINFHSA-N 2 2 210.281 0.079 20 0 BCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000424171535 387864665 /nfs/dbraw/zinc/86/46/65/387864665.db2.gz MBEFBLJUSTYHEV-OUAUKWLOSA-N 2 2 246.314 0.124 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000423066025 387870415 /nfs/dbraw/zinc/87/04/15/387870415.db2.gz VWDJWKGCCBTQJW-VPOLOUISSA-N 2 2 212.337 0.733 20 0 BCADLP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@@H](C)[NH3+] ZINC000442662691 387816276 /nfs/dbraw/zinc/81/62/76/387816276.db2.gz FYQRRWIAPJHEMK-GHMZBOCLSA-N 2 2 227.352 0.666 20 0 BCADLP CCN(CC)C(=O)[C@H]1CCC[N@H+]1C[C@@H](C)[NH3+] ZINC000442662691 387816279 /nfs/dbraw/zinc/81/62/79/387816279.db2.gz FYQRRWIAPJHEMK-GHMZBOCLSA-N 2 2 227.352 0.666 20 0 BCADLP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@H](C)[NH3+] ZINC000442662695 387817224 /nfs/dbraw/zinc/81/72/24/387817224.db2.gz FYQRRWIAPJHEMK-WDEREUQCSA-N 2 2 227.352 0.666 20 0 BCADLP CCN(CC)C(=O)[C@H]1CCC[N@H+]1C[C@H](C)[NH3+] ZINC000442662695 387817227 /nfs/dbraw/zinc/81/72/27/387817227.db2.gz FYQRRWIAPJHEMK-WDEREUQCSA-N 2 2 227.352 0.666 20 0 BCADLP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424182159 387897030 /nfs/dbraw/zinc/89/70/30/387897030.db2.gz YSAUEMBGRDBEMF-RKDXNWHRSA-N 2 2 249.305 0.331 20 0 BCADLP CCn1cccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1=O ZINC000423085299 387880366 /nfs/dbraw/zinc/88/03/66/387880366.db2.gz JUKCXXRLHVETPE-AAEUAGOBSA-N 2 2 249.358 0.956 20 0 BCADLP C[C@@](CO)(C[NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000423099442 387886320 /nfs/dbraw/zinc/88/63/20/387886320.db2.gz ALBVXBOKEIWRCN-KBPBESRZSA-N 2 2 234.343 0.888 20 0 BCADLP CO[C@H](C[NH2+][C@H]1C[NH2+]CC[C@@H]1C)C1CC1 ZINC000423134466 387911658 /nfs/dbraw/zinc/91/16/58/387911658.db2.gz MAXLZJSWJFTYJH-ZMLRMANQSA-N 2 2 212.337 0.999 20 0 BCADLP CC[C@H]([NH2+][C@@H](C)C(=O)NC)[C@@H]1CCCC[NH2+]1 ZINC000423133650 387912001 /nfs/dbraw/zinc/91/20/01/387912001.db2.gz QWJCFTFTFCQPLJ-DCAQKATOSA-N 2 2 227.352 0.631 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423135727 387913581 /nfs/dbraw/zinc/91/35/81/387913581.db2.gz GJIOUQWIQSFBDN-IRCOFANPSA-N 2 2 230.352 0.766 20 0 BCADLP Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@H]1CC[NH2+]C1)C2 ZINC000237878345 387929281 /nfs/dbraw/zinc/92/92/81/387929281.db2.gz HWMPVOMVPBMDKW-QWRGUYRKSA-N 2 2 248.330 0.232 20 0 BCADLP CCN1C[C@@H]([NH2+][C@H](C)c2c[nH+]ccc2N)CC1=O ZINC000423154925 387934778 /nfs/dbraw/zinc/93/47/78/387934778.db2.gz PPVZSKFQNDOZGJ-ZJUUUORDSA-N 2 2 248.330 0.766 20 0 BCADLP CCN1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1=O ZINC000423156315 387934839 /nfs/dbraw/zinc/93/48/39/387934839.db2.gz SALOEQVGNTXRHA-HBNTYKKESA-N 2 2 225.336 0.195 20 0 BCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(CO)CCC1 ZINC000643480584 387936306 /nfs/dbraw/zinc/93/63/06/387936306.db2.gz BOMGANODIBZTHC-RYUDHWBXSA-N 2 2 242.363 0.506 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(CO)CCC1 ZINC000643480582 387936369 /nfs/dbraw/zinc/93/63/69/387936369.db2.gz BOMGANODIBZTHC-NEPJUHHUSA-N 2 2 242.363 0.506 20 0 BCADLP [NH3+]CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000237975547 387927571 /nfs/dbraw/zinc/92/75/71/387927571.db2.gz CLQMZGMZRYYWKN-UHFFFAOYSA-N 2 2 244.298 0.506 20 0 BCADLP Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1CC[NH2+]C1)C2 ZINC000237877954 387928002 /nfs/dbraw/zinc/92/80/02/387928002.db2.gz HWMPVOMVPBMDKW-MNOVXSKESA-N 2 2 248.330 0.232 20 0 BCADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)C(=O)NC ZINC000423161825 387943096 /nfs/dbraw/zinc/94/30/96/387943096.db2.gz JTDAAVOKOAOJCR-UTLUCORTSA-N 2 2 213.325 0.099 20 0 BCADLP CCO[C@H]1C[C@@H]([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000423164369 387948784 /nfs/dbraw/zinc/94/87/84/387948784.db2.gz OHMMLCMLBAZOIT-NDBYEHHHSA-N 2 2 242.363 0.911 20 0 BCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(C2CC2)C1=O ZINC000424298560 387959177 /nfs/dbraw/zinc/95/91/77/387959177.db2.gz DMFNCHYEBJTPBM-UTUOFQBUSA-N 2 2 237.347 0.609 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H]1C1CC1)C1CC1 ZINC000453015300 387962301 /nfs/dbraw/zinc/96/23/01/387962301.db2.gz LPWZVKHBKLRAFH-STQMWFEESA-N 2 2 224.348 0.926 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H]1C1CC1)C1CC1 ZINC000453015300 387962306 /nfs/dbraw/zinc/96/23/06/387962306.db2.gz LPWZVKHBKLRAFH-STQMWFEESA-N 2 2 224.348 0.926 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H]1C1CC1)C1CC1 ZINC000453015300 387962310 /nfs/dbraw/zinc/96/23/10/387962310.db2.gz LPWZVKHBKLRAFH-STQMWFEESA-N 2 2 224.348 0.926 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H]1C1CC1)C1CC1 ZINC000453015300 387962313 /nfs/dbraw/zinc/96/23/13/387962313.db2.gz LPWZVKHBKLRAFH-STQMWFEESA-N 2 2 224.348 0.926 20 0 BCADLP COC[C@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)CCO1 ZINC000245592235 387963675 /nfs/dbraw/zinc/96/36/75/387963675.db2.gz GOYRUVRLYDBGOD-QWHCGFSZSA-N 2 2 242.363 0.818 20 0 BCADLP COC[C@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CCO1 ZINC000245592235 387963677 /nfs/dbraw/zinc/96/36/77/387963677.db2.gz GOYRUVRLYDBGOD-QWHCGFSZSA-N 2 2 242.363 0.818 20 0 BCADLP COC[C@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000245592235 387963681 /nfs/dbraw/zinc/96/36/81/387963681.db2.gz GOYRUVRLYDBGOD-QWHCGFSZSA-N 2 2 242.363 0.818 20 0 BCADLP COC[C@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CCO1 ZINC000245592235 387963683 /nfs/dbraw/zinc/96/36/83/387963683.db2.gz GOYRUVRLYDBGOD-QWHCGFSZSA-N 2 2 242.363 0.818 20 0 BCADLP COC(=O)CC1CC([NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000424315641 387968292 /nfs/dbraw/zinc/96/82/92/387968292.db2.gz PQBDDKBMVJFIQD-WHXUTIOJSA-N 2 2 228.336 0.868 20 0 BCADLP COc1ccnc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000424385149 388000949 /nfs/dbraw/zinc/00/09/49/388000949.db2.gz VZGGUBCSDCTCAH-ZJUUUORDSA-N 2 2 236.319 0.702 20 0 BCADLP Cc1cccc(NCCNC(=O)C[NH+](C)C)[nH+]1 ZINC000439530430 388007625 /nfs/dbraw/zinc/00/76/25/388007625.db2.gz HKLBURATOCOARR-UHFFFAOYSA-N 2 2 236.319 0.480 20 0 BCADLP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)CO2 ZINC000423212500 387996118 /nfs/dbraw/zinc/99/61/18/387996118.db2.gz JPKHGPMSTYXHEA-VXGBXAGGSA-N 2 2 248.326 0.950 20 0 BCADLP CC[NH2+]CC[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000423252223 388033685 /nfs/dbraw/zinc/03/36/85/388033685.db2.gz XNXWGTAKMBMXPM-WDEREUQCSA-N 2 2 248.392 0.541 20 0 BCADLP CC[NH2+]CC[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000423252221 388034034 /nfs/dbraw/zinc/03/40/34/388034034.db2.gz XNXWGTAKMBMXPM-MNOVXSKESA-N 2 2 248.392 0.541 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423258243 388038110 /nfs/dbraw/zinc/03/81/10/388038110.db2.gz LVIMEVUCVWIXEX-JHJVBQTASA-N 3 2 225.380 0.916 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423258243 388038113 /nfs/dbraw/zinc/03/81/13/388038113.db2.gz LVIMEVUCVWIXEX-JHJVBQTASA-N 3 2 225.380 0.916 20 0 BCADLP C[NH2+]CC[NH2+][C@H]1COc2ccc(OC)cc2C1 ZINC000423246949 388030451 /nfs/dbraw/zinc/03/04/51/388030451.db2.gz ODFRFZKTUQACTF-LLVKDONJSA-N 2 2 236.315 0.808 20 0 BCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000083928462 388066638 /nfs/dbraw/zinc/06/66/38/388066638.db2.gz BWCLHJJDEXDOPZ-LLVKDONJSA-N 2 2 248.330 0.516 20 0 BCADLP COCC[C@]1([NH2+]CCn2cc[nH+]c2)CCOC1 ZINC000447383765 388067558 /nfs/dbraw/zinc/06/75/58/388067558.db2.gz LEGVABRXUKXXKL-LBPRGKRZSA-N 2 2 239.319 0.668 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]C[C@]2(C)CCC(=O)N2)[C@@H](C)C1 ZINC000453405150 388074993 /nfs/dbraw/zinc/07/49/93/388074993.db2.gz DXYVKVOCVSIXGW-GVXVVHGQSA-N 2 2 239.363 0.585 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@]2(C)CCC(=O)N2)[C@@H](C)C1 ZINC000453405150 388074995 /nfs/dbraw/zinc/07/49/95/388074995.db2.gz DXYVKVOCVSIXGW-GVXVVHGQSA-N 2 2 239.363 0.585 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]C[C@@]2(C)CCC(=O)N2)[C@@H](C)C1 ZINC000453405149 388075243 /nfs/dbraw/zinc/07/52/43/388075243.db2.gz DXYVKVOCVSIXGW-GMXVVIOVSA-N 2 2 239.363 0.585 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@]2(C)CCC(=O)N2)[C@@H](C)C1 ZINC000453405149 388075245 /nfs/dbraw/zinc/07/52/45/388075245.db2.gz DXYVKVOCVSIXGW-GMXVVIOVSA-N 2 2 239.363 0.585 20 0 BCADLP CN(C)c1nc(NCCn2cc[nH+]c2)cc[nH+]1 ZINC000085435895 388087973 /nfs/dbraw/zinc/08/79/73/388087973.db2.gz CPHJOLSBTZBBKC-UHFFFAOYSA-N 2 2 232.291 0.851 20 0 BCADLP C([NH2+][C@@H]1CCOC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085789723 388096603 /nfs/dbraw/zinc/09/66/03/388096603.db2.gz MPKIYWLPICSMON-IJLUTSLNSA-N 2 2 226.320 0.228 20 0 BCADLP C([NH2+][C@@H]1CCOC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085789723 388096605 /nfs/dbraw/zinc/09/66/05/388096605.db2.gz MPKIYWLPICSMON-IJLUTSLNSA-N 2 2 226.320 0.228 20 0 BCADLP C[C@@H](CO)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000083219932 388047175 /nfs/dbraw/zinc/04/71/75/388047175.db2.gz OQGCBZGZTQPJSV-SECBINFHSA-N 2 2 226.324 0.204 20 0 BCADLP C[C@H](CCO)CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000449356389 388180941 /nfs/dbraw/zinc/18/09/41/388180941.db2.gz HLAJIGUAWYGSMM-QJPTWQEYSA-N 2 2 214.353 0.935 20 0 BCADLP C[C@H](CCO)CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000449356389 388180943 /nfs/dbraw/zinc/18/09/43/388180943.db2.gz HLAJIGUAWYGSMM-QJPTWQEYSA-N 2 2 214.353 0.935 20 0 BCADLP COC(=O)COC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000449103838 388142706 /nfs/dbraw/zinc/14/27/06/388142706.db2.gz SAFWJTSVSCFSFE-MNOVXSKESA-N 2 2 244.335 0.248 20 0 BCADLP COC(=O)COC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000449103838 388142709 /nfs/dbraw/zinc/14/27/09/388142709.db2.gz SAFWJTSVSCFSFE-MNOVXSKESA-N 2 2 244.335 0.248 20 0 BCADLP C[NH2+]CC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000646137944 388152991 /nfs/dbraw/zinc/15/29/91/388152991.db2.gz YPUZKRHFOWIXDC-UHFFFAOYSA-N 2 2 246.314 0.521 20 0 BCADLP C[C@H](CCCO)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000449408314 388190227 /nfs/dbraw/zinc/19/02/27/388190227.db2.gz NKALJLWBXNVWFO-WOPDTQHZSA-N 2 2 214.353 0.935 20 0 BCADLP C[C@H](CCCO)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000449408314 388190230 /nfs/dbraw/zinc/19/02/30/388190230.db2.gz NKALJLWBXNVWFO-WOPDTQHZSA-N 2 2 214.353 0.935 20 0 BCADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCSC1 ZINC000449388033 388191116 /nfs/dbraw/zinc/19/11/16/388191116.db2.gz NTWSGXJQVGYUGX-RYUDHWBXSA-N 2 2 244.404 0.928 20 0 BCADLP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCSC1 ZINC000449388033 388191118 /nfs/dbraw/zinc/19/11/18/388191118.db2.gz NTWSGXJQVGYUGX-RYUDHWBXSA-N 2 2 244.404 0.928 20 0 BCADLP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449395654 388193228 /nfs/dbraw/zinc/19/32/28/388193228.db2.gz JNCNXYGUNKSAIW-AVGNSLFASA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449395654 388193231 /nfs/dbraw/zinc/19/32/31/388193231.db2.gz JNCNXYGUNKSAIW-AVGNSLFASA-N 2 2 242.363 0.600 20 0 BCADLP C[C@H](C[NH+](C)C)[NH2+]CC[C@@H]1CCOC1 ZINC000336662188 388259029 /nfs/dbraw/zinc/25/90/29/388259029.db2.gz SXWQXRJVQVOYFM-GHMZBOCLSA-N 2 2 200.326 0.953 20 0 BCADLP CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000449462757 388211706 /nfs/dbraw/zinc/21/17/06/388211706.db2.gz VQXUCBWIQBRIQF-QNWHQSFQSA-N 2 2 242.363 0.578 20 0 BCADLP CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000449462757 388211709 /nfs/dbraw/zinc/21/17/09/388211709.db2.gz VQXUCBWIQBRIQF-QNWHQSFQSA-N 2 2 242.363 0.578 20 0 BCADLP CCN1C[C@H]([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1=O ZINC000449517153 388221980 /nfs/dbraw/zinc/22/19/80/388221980.db2.gz JAFLQYNEXICIGY-AXFHLTTASA-N 2 2 225.336 0.147 20 0 BCADLP CCN1C[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1=O ZINC000449517153 388221983 /nfs/dbraw/zinc/22/19/83/388221983.db2.gz JAFLQYNEXICIGY-AXFHLTTASA-N 2 2 225.336 0.147 20 0 BCADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)[C@@H](C)O ZINC000449543203 388228353 /nfs/dbraw/zinc/22/83/53/388228353.db2.gz NWTFMFXQIMHZIO-CHWFTXMASA-N 2 2 200.326 0.686 20 0 BCADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)[C@@H](C)O ZINC000449543203 388228354 /nfs/dbraw/zinc/22/83/54/388228354.db2.gz NWTFMFXQIMHZIO-CHWFTXMASA-N 2 2 200.326 0.686 20 0 BCADLP COCC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000490030227 388231076 /nfs/dbraw/zinc/23/10/76/388231076.db2.gz GUINVXYIFCPHLJ-GFCCVEGCSA-N 2 2 239.319 0.620 20 0 BCADLP COCC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000490030227 388231077 /nfs/dbraw/zinc/23/10/77/388231077.db2.gz GUINVXYIFCPHLJ-GFCCVEGCSA-N 2 2 239.319 0.620 20 0 BCADLP Cc1cc[nH+]c(N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000490072249 388233803 /nfs/dbraw/zinc/23/38/03/388233803.db2.gz MDUJBACDGRVHOT-GFCCVEGCSA-N 2 2 235.331 0.893 20 0 BCADLP Cc1cc[nH+]c(N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000490072249 388233805 /nfs/dbraw/zinc/23/38/05/388233805.db2.gz MDUJBACDGRVHOT-GFCCVEGCSA-N 2 2 235.331 0.893 20 0 BCADLP C[C@H]1C(=O)N(C)CC[N@H+]1CCc1c[nH+]cn1C ZINC000459421927 388243570 /nfs/dbraw/zinc/24/35/70/388243570.db2.gz FCEFCUSWQXEFDH-JTQLQIEISA-N 2 2 236.319 0.125 20 0 BCADLP C[C@H]1C(=O)N(C)CC[N@@H+]1CCc1c[nH+]cn1C ZINC000459421927 388243573 /nfs/dbraw/zinc/24/35/73/388243573.db2.gz FCEFCUSWQXEFDH-JTQLQIEISA-N 2 2 236.319 0.125 20 0 BCADLP C[NH+](C)CC=CC(=O)NCc1[nH]cc[nH+]1 ZINC000491873848 388325783 /nfs/dbraw/zinc/32/57/83/388325783.db2.gz UXPFOZDOMDXJPE-ONEGZZNKSA-N 2 2 208.265 0.144 20 0 BCADLP C[NH+](C)C/C=C/C(=O)NCc1[nH]cc[nH+]1 ZINC000491873848 388325784 /nfs/dbraw/zinc/32/57/84/388325784.db2.gz UXPFOZDOMDXJPE-ONEGZZNKSA-N 2 2 208.265 0.144 20 0 BCADLP C[C@@H](C[NH3+])[NH2+]Cc1cccc2c1OCO2 ZINC000235139030 388365275 /nfs/dbraw/zinc/36/52/75/388365275.db2.gz DWMITKWGLILYKN-QMMMGPOBSA-N 2 2 208.261 0.852 20 0 BCADLP [NH3+]CC[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000572842547 388380292 /nfs/dbraw/zinc/38/02/92/388380292.db2.gz HQLMRUIVGQVRRA-RYUDHWBXSA-N 3 2 227.352 0.163 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC2(C[NH3+])CC2)C1 ZINC000572879709 388383324 /nfs/dbraw/zinc/38/33/24/388383324.db2.gz SWSNHQNGLDTCHI-GHMZBOCLSA-N 3 2 211.353 0.785 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC2(C[NH3+])CC2)C1 ZINC000572879709 388383326 /nfs/dbraw/zinc/38/33/26/388383326.db2.gz SWSNHQNGLDTCHI-GHMZBOCLSA-N 3 2 211.353 0.785 20 0 BCADLP CC[C@H]([NH3+])C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000236925873 388386800 /nfs/dbraw/zinc/38/68/00/388386800.db2.gz JAICIVGZINGAJC-UWVGGRQHSA-N 2 2 229.368 0.816 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648806724 388390233 /nfs/dbraw/zinc/39/02/33/388390233.db2.gz WAPDYMRFOMDAHJ-NXEZZACHSA-N 2 2 236.319 0.675 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648806724 388390237 /nfs/dbraw/zinc/39/02/37/388390237.db2.gz WAPDYMRFOMDAHJ-NXEZZACHSA-N 2 2 236.319 0.675 20 0 BCADLP Cn1ncc(C[NH2+]CCCn2cc[nH+]c2)n1 ZINC000294025012 388393403 /nfs/dbraw/zinc/39/34/03/388393403.db2.gz HRWVZYSLQCDWGW-UHFFFAOYSA-N 2 2 220.280 0.192 20 0 BCADLP C[C@H](CNC(=O)C(C)(C)C[NH3+])Cn1cc[nH+]c1 ZINC000237374796 388394047 /nfs/dbraw/zinc/39/40/47/388394047.db2.gz COBOQVJZEHTVFM-SNVBAGLBSA-N 2 2 238.335 0.620 20 0 BCADLP CC[C@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)C(C)(C)O ZINC000394016395 388449425 /nfs/dbraw/zinc/44/94/25/388449425.db2.gz BGKJEPFOYQKTBE-SRVKXCTJSA-N 2 2 244.379 0.893 20 0 BCADLP C[N@H+](CC(=O)N1CCCCC1)C1CC([NH3+])C1 ZINC000336233458 388456558 /nfs/dbraw/zinc/45/65/58/388456558.db2.gz NMJNKPFHEMFZGS-UHFFFAOYSA-N 2 2 225.336 0.420 20 0 BCADLP C[N@@H+](CC(=O)N1CCCCC1)C1CC([NH3+])C1 ZINC000336233458 388456560 /nfs/dbraw/zinc/45/65/60/388456560.db2.gz NMJNKPFHEMFZGS-UHFFFAOYSA-N 2 2 225.336 0.420 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@](C)(O)C1)C1CC1 ZINC000336716928 388467928 /nfs/dbraw/zinc/46/79/28/388467928.db2.gz QDRIOYFHFKNRGM-QWHCGFSZSA-N 2 2 242.363 0.288 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@](C)(O)C1)C1CC1 ZINC000336716928 388467930 /nfs/dbraw/zinc/46/79/30/388467930.db2.gz QDRIOYFHFKNRGM-QWHCGFSZSA-N 2 2 242.363 0.288 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@](C)(O)C1)C1CC1 ZINC000336716928 388467932 /nfs/dbraw/zinc/46/79/32/388467932.db2.gz QDRIOYFHFKNRGM-QWHCGFSZSA-N 2 2 242.363 0.288 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@](C)(O)C1)C1CC1 ZINC000336716928 388467935 /nfs/dbraw/zinc/46/79/35/388467935.db2.gz QDRIOYFHFKNRGM-QWHCGFSZSA-N 2 2 242.363 0.288 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCn2cccn2)n1C ZINC000573021586 388407455 /nfs/dbraw/zinc/40/74/55/388407455.db2.gz FCNLCXUQKWUPDW-UHFFFAOYSA-N 2 2 219.292 0.715 20 0 BCADLP C[C@@H](CC(=O)NCCCC[NH3+])n1cc[nH+]c1 ZINC000573215871 388433182 /nfs/dbraw/zinc/43/31/82/388433182.db2.gz FYAIUKBAQVKHOY-JTQLQIEISA-N 2 2 224.308 0.689 20 0 BCADLP CN(C)c1ncc(C[NH2+]C2CC([NH+](C)C)C2)cn1 ZINC000520838230 388537951 /nfs/dbraw/zinc/53/79/51/388537951.db2.gz UOABMMLHSYFCSD-UHFFFAOYSA-N 2 2 249.362 0.725 20 0 BCADLP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[NH+](C2CC2)CC1 ZINC000649287077 388543064 /nfs/dbraw/zinc/54/30/64/388543064.db2.gz ZUBLEASGLHZESM-JLLWLGSASA-N 2 2 235.331 0.043 20 0 BCADLP C[C@@H]1C[C@H](O)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000343632263 388502288 /nfs/dbraw/zinc/50/22/88/388502288.db2.gz RWUPKSYGOHTVRF-MNOVXSKESA-N 2 2 209.293 0.728 20 0 BCADLP C[C@@H]1C[C@H](O)C[N@H+]1CCCn1cc[nH+]c1 ZINC000343632263 388502290 /nfs/dbraw/zinc/50/22/90/388502290.db2.gz RWUPKSYGOHTVRF-MNOVXSKESA-N 2 2 209.293 0.728 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000516870131 256804163 /nfs/dbraw/zinc/80/41/63/256804163.db2.gz TYCYHPVLOAFBDH-LPEHRKFASA-N 2 2 222.292 0.125 20 0 BCADLP C[NH+](C)CCC[NH2+][C@@H]1CCn2ccnc21 ZINC000345360429 388513266 /nfs/dbraw/zinc/51/32/66/388513266.db2.gz ZEOWLHBETRUSRO-SNVBAGLBSA-N 2 2 208.309 0.869 20 0 BCADLP C[NH2+]CC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000649306112 388590797 /nfs/dbraw/zinc/59/07/97/388590797.db2.gz AUOGLTYOBOVHMG-UHFFFAOYSA-N 2 2 233.315 0.338 20 0 BCADLP C[C@H]([NH3+])C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000649306229 388591367 /nfs/dbraw/zinc/59/13/67/388591367.db2.gz GZWBJUZBRVZXLI-JTQLQIEISA-N 2 2 233.315 0.466 20 0 BCADLP C[C@H](C[NH3+])C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000649306492 388591459 /nfs/dbraw/zinc/59/14/59/388591459.db2.gz VDLDEPMVTZGOOX-LLVKDONJSA-N 2 2 247.342 0.713 20 0 BCADLP C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000081900949 388597632 /nfs/dbraw/zinc/59/76/32/388597632.db2.gz ZSUQLLDNXFLCMI-MNOVXSKESA-N 2 2 248.392 0.351 20 0 BCADLP C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000081900949 388597634 /nfs/dbraw/zinc/59/76/34/388597634.db2.gz ZSUQLLDNXFLCMI-MNOVXSKESA-N 2 2 248.392 0.351 20 0 BCADLP COc1cc[nH+]cc1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649312038 388598342 /nfs/dbraw/zinc/59/83/42/388598342.db2.gz GRQXSQZYZIYMFK-VROVMSAKSA-N 2 2 233.271 0.494 20 0 BCADLP COC(C)(C)C[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000379292715 388605243 /nfs/dbraw/zinc/60/52/43/388605243.db2.gz KZSHFVRDDBICEJ-JTQLQIEISA-N 2 2 216.325 0.332 20 0 BCADLP COC(C)(C)C[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000379292715 388605245 /nfs/dbraw/zinc/60/52/45/388605245.db2.gz KZSHFVRDDBICEJ-JTQLQIEISA-N 2 2 216.325 0.332 20 0 BCADLP CC1(C(=O)Nc2ccc3[nH+]ccn3c2)C[NH2+]C1 ZINC000517560797 388553314 /nfs/dbraw/zinc/55/33/14/388553314.db2.gz ZEIGUZKFFDMDBR-UHFFFAOYSA-N 2 2 230.271 0.882 20 0 BCADLP CC(C)[C@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000521267531 388566562 /nfs/dbraw/zinc/56/65/62/388566562.db2.gz RSGMXJZZDSHLMQ-LLVKDONJSA-N 2 2 238.335 0.549 20 0 BCADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC000245414683 388577478 /nfs/dbraw/zinc/57/74/78/388577478.db2.gz CODHQHCESVDQAG-GHMZBOCLSA-N 2 2 227.352 0.524 20 0 BCADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC000245414683 388577480 /nfs/dbraw/zinc/57/74/80/388577480.db2.gz CODHQHCESVDQAG-GHMZBOCLSA-N 2 2 227.352 0.524 20 0 BCADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC000245414683 388577481 /nfs/dbraw/zinc/57/74/81/388577481.db2.gz CODHQHCESVDQAG-GHMZBOCLSA-N 2 2 227.352 0.524 20 0 BCADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC000245414683 388577483 /nfs/dbraw/zinc/57/74/83/388577483.db2.gz CODHQHCESVDQAG-GHMZBOCLSA-N 2 2 227.352 0.524 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(N)=O)[C@@H](C)C1 ZINC000245445581 388580466 /nfs/dbraw/zinc/58/04/66/388580466.db2.gz ZAARZDXTJABHGQ-VHSXEESVSA-N 2 2 213.325 0.134 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(N)=O)[C@@H](C)C1 ZINC000245445581 388580470 /nfs/dbraw/zinc/58/04/70/388580470.db2.gz ZAARZDXTJABHGQ-VHSXEESVSA-N 2 2 213.325 0.134 20 0 BCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(N)=O)[C@@H](C)C1 ZINC000245445581 388580471 /nfs/dbraw/zinc/58/04/71/388580471.db2.gz ZAARZDXTJABHGQ-VHSXEESVSA-N 2 2 213.325 0.134 20 0 BCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(N)=O)[C@@H](C)C1 ZINC000245445581 388580474 /nfs/dbraw/zinc/58/04/74/388580474.db2.gz ZAARZDXTJABHGQ-VHSXEESVSA-N 2 2 213.325 0.134 20 0 BCADLP O=C(NCCCCn1cc[nH+]c1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649303108 388585789 /nfs/dbraw/zinc/58/57/89/388585789.db2.gz XADOAXAJNFUUAI-UTUOFQBUSA-N 2 2 248.330 0.530 20 0 BCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000125129804 388667762 /nfs/dbraw/zinc/66/77/62/388667762.db2.gz YGJNPFWBSYFZIZ-LBPRGKRZSA-N 2 2 239.363 0.812 20 0 BCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000125129804 388667765 /nfs/dbraw/zinc/66/77/65/388667765.db2.gz YGJNPFWBSYFZIZ-LBPRGKRZSA-N 2 2 239.363 0.812 20 0 BCADLP C[NH2+]C1CC[NH+](CCN2CCO[C@@H](C)C2)CC1 ZINC000521624525 388620636 /nfs/dbraw/zinc/62/06/36/388620636.db2.gz KEPPYNAJEDKRPJ-LBPRGKRZSA-N 2 2 241.379 0.391 20 0 BCADLP O[C@@H]1COC[C@H]1[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000551092894 388620983 /nfs/dbraw/zinc/62/09/83/388620983.db2.gz MCKXLLGRCRYRPF-GHMZBOCLSA-N 2 2 237.303 0.349 20 0 BCADLP CCn1ncc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000530213072 388628186 /nfs/dbraw/zinc/62/81/86/388628186.db2.gz UOUAJDJBKNKEOL-GXSJLCMTSA-N 2 2 223.324 0.515 20 0 BCADLP CCn1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000530210035 388628251 /nfs/dbraw/zinc/62/82/51/388628251.db2.gz KKQOGPLHQOSNQK-ZACCUICWSA-N 2 2 235.335 0.671 20 0 BCADLP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530215267 388629119 /nfs/dbraw/zinc/62/91/19/388629119.db2.gz GEMCMHPJBDTRCF-AXFHLTTASA-N 3 2 211.353 0.986 20 0 BCADLP Cc1cnccc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000530221815 388632758 /nfs/dbraw/zinc/63/27/58/388632758.db2.gz DPTZPFPYEVHNCV-NSHDSACASA-N 2 2 209.293 0.141 20 0 BCADLP Cc1cnccc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000530221815 388632759 /nfs/dbraw/zinc/63/27/59/388632759.db2.gz DPTZPFPYEVHNCV-NSHDSACASA-N 2 2 209.293 0.141 20 0 BCADLP Cc1cnccc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000530221814 388633137 /nfs/dbraw/zinc/63/31/37/388633137.db2.gz DPTZPFPYEVHNCV-LLVKDONJSA-N 2 2 209.293 0.141 20 0 BCADLP Cc1cnccc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000530221814 388633139 /nfs/dbraw/zinc/63/31/39/388633139.db2.gz DPTZPFPYEVHNCV-LLVKDONJSA-N 2 2 209.293 0.141 20 0 BCADLP CCOC[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000530232864 388636675 /nfs/dbraw/zinc/63/66/75/388636675.db2.gz UFPMBWCDKAJIKE-CHWSQXEVSA-N 2 2 242.363 0.723 20 0 BCADLP CCOC[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000530232864 388636678 /nfs/dbraw/zinc/63/66/78/388636678.db2.gz UFPMBWCDKAJIKE-CHWSQXEVSA-N 2 2 242.363 0.723 20 0 BCADLP C[C@H](CO)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000222661085 388643269 /nfs/dbraw/zinc/64/32/69/388643269.db2.gz BMAHGAKWGRBMIQ-AXFHLTTASA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H](CO)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000222661085 388643270 /nfs/dbraw/zinc/64/32/70/388643270.db2.gz BMAHGAKWGRBMIQ-AXFHLTTASA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000252865580 388659838 /nfs/dbraw/zinc/65/98/38/388659838.db2.gz PVOIWAYIEXGBMJ-BBBLOLIVSA-N 2 2 224.308 0.371 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000252865581 388659850 /nfs/dbraw/zinc/65/98/50/388659850.db2.gz PVOIWAYIEXGBMJ-UTLUCORTSA-N 2 2 224.308 0.371 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000522258544 388738603 /nfs/dbraw/zinc/73/86/03/388738603.db2.gz LQZKMEABRYEGRP-NSHDSACASA-N 2 2 234.303 0.361 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000522258544 388738605 /nfs/dbraw/zinc/73/86/05/388738605.db2.gz LQZKMEABRYEGRP-NSHDSACASA-N 2 2 234.303 0.361 20 0 BCADLP CC[N@H+](C)CC[NH2+][C@@H]1CCOC[C@H]1C ZINC000249151385 388710251 /nfs/dbraw/zinc/71/02/51/388710251.db2.gz UQWZZTNOZXYYLK-GHMZBOCLSA-N 2 2 200.326 0.953 20 0 BCADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCOC[C@H]1C ZINC000249151385 388710253 /nfs/dbraw/zinc/71/02/53/388710253.db2.gz UQWZZTNOZXYYLK-GHMZBOCLSA-N 2 2 200.326 0.953 20 0 BCADLP CCCn1ncnc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000127239250 388718555 /nfs/dbraw/zinc/71/85/55/388718555.db2.gz CEULSTVJZCULTM-GHMZBOCLSA-N 2 2 237.351 0.857 20 0 BCADLP CCCn1ncnc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000127239250 388718560 /nfs/dbraw/zinc/71/85/60/388718560.db2.gz CEULSTVJZCULTM-GHMZBOCLSA-N 2 2 237.351 0.857 20 0 BCADLP C[C@H]1CC[N@H+](Cc2ccn(C)n2)C[C@H]1C[NH3+] ZINC000253179704 388809128 /nfs/dbraw/zinc/80/91/28/388809128.db2.gz CXIULNXZDVJENK-WDEREUQCSA-N 2 2 222.336 0.837 20 0 BCADLP C[C@H]1CC[N@@H+](Cc2ccn(C)n2)C[C@H]1C[NH3+] ZINC000253179704 388809132 /nfs/dbraw/zinc/80/91/32/388809132.db2.gz CXIULNXZDVJENK-WDEREUQCSA-N 2 2 222.336 0.837 20 0 BCADLP C[C@@H]1CC[N@H+](Cc2ccn(C)n2)C[C@H]1C[NH3+] ZINC000253179703 388809226 /nfs/dbraw/zinc/80/92/26/388809226.db2.gz CXIULNXZDVJENK-GHMZBOCLSA-N 2 2 222.336 0.837 20 0 BCADLP C[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C[C@H]1C[NH3+] ZINC000253179703 388809230 /nfs/dbraw/zinc/80/92/30/388809230.db2.gz CXIULNXZDVJENK-GHMZBOCLSA-N 2 2 222.336 0.837 20 0 BCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000555224066 388843358 /nfs/dbraw/zinc/84/33/58/388843358.db2.gz QPSHGIRYMURDOV-LLVKDONJSA-N 2 2 248.330 0.484 20 0 BCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000555224066 388843359 /nfs/dbraw/zinc/84/33/59/388843359.db2.gz QPSHGIRYMURDOV-LLVKDONJSA-N 2 2 248.330 0.484 20 0 BCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000555224067 388844124 /nfs/dbraw/zinc/84/41/24/388844124.db2.gz QPSHGIRYMURDOV-NSHDSACASA-N 2 2 248.330 0.484 20 0 BCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000555224067 388844127 /nfs/dbraw/zinc/84/41/27/388844127.db2.gz QPSHGIRYMURDOV-NSHDSACASA-N 2 2 248.330 0.484 20 0 BCADLP COC(=O)CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000540964640 388831615 /nfs/dbraw/zinc/83/16/15/388831615.db2.gz QVVBJTJCMGLDSZ-JTQLQIEISA-N 2 2 237.303 0.773 20 0 BCADLP COC(=O)CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000540964640 388831619 /nfs/dbraw/zinc/83/16/19/388831619.db2.gz QVVBJTJCMGLDSZ-JTQLQIEISA-N 2 2 237.303 0.773 20 0 BCADLP COCCOCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000129592660 388854580 /nfs/dbraw/zinc/85/45/80/388854580.db2.gz CCDCFCWJUHMPKI-VXGBXAGGSA-N 2 2 242.363 0.864 20 0 BCADLP COCCOCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000129592660 388854583 /nfs/dbraw/zinc/85/45/83/388854583.db2.gz CCDCFCWJUHMPKI-VXGBXAGGSA-N 2 2 242.363 0.864 20 0 BCADLP C[C@H](C[NH3+])CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000564664536 388883657 /nfs/dbraw/zinc/88/36/57/388883657.db2.gz UTPHIUBXEOZATB-NXEZZACHSA-N 2 2 224.308 0.545 20 0 BCADLP CC[C@@H]([NH3+])C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000564913239 388897815 /nfs/dbraw/zinc/89/78/15/388897815.db2.gz KPWAXEWIQCFRDH-LLVKDONJSA-N 2 2 236.319 0.784 20 0 BCADLP CCC[C@H]1C[N@H+](C[C@](C)(O)C[NH2+]C)CCO1 ZINC000565094414 388913591 /nfs/dbraw/zinc/91/35/91/388913591.db2.gz YELONPJSUABRFM-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP CCC[C@H]1C[N@@H+](C[C@](C)(O)C[NH2+]C)CCO1 ZINC000565094414 388913594 /nfs/dbraw/zinc/91/35/94/388913594.db2.gz YELONPJSUABRFM-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCc2cnn(C)c2)n1C ZINC000565243006 388932011 /nfs/dbraw/zinc/93/20/11/388932011.db2.gz UVLZKVSLHSJMRP-UHFFFAOYSA-N 2 2 233.319 0.794 20 0 BCADLP C[C@H](c1nnnn1C)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000564989264 388904800 /nfs/dbraw/zinc/90/48/00/388904800.db2.gz WWVRNSROOQAKKG-AEJSXWLSSA-N 2 2 238.339 0.330 20 0 BCADLP C[C@H](c1nnnn1C)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000564989264 388904805 /nfs/dbraw/zinc/90/48/05/388904805.db2.gz WWVRNSROOQAKKG-AEJSXWLSSA-N 2 2 238.339 0.330 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)c2nnnn2C)C1 ZINC000564989267 388904895 /nfs/dbraw/zinc/90/48/95/388904895.db2.gz WWVRNSROOQAKKG-GUBZILKMSA-N 2 2 238.339 0.330 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)c2nnnn2C)C1 ZINC000564989267 388904898 /nfs/dbraw/zinc/90/48/98/388904898.db2.gz WWVRNSROOQAKKG-GUBZILKMSA-N 2 2 238.339 0.330 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2nc(C3CC3)nn2C)C1 ZINC000564987697 388905247 /nfs/dbraw/zinc/90/52/47/388905247.db2.gz HFJFZHUIAQMVGG-GXSJLCMTSA-N 2 2 249.362 0.862 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nc(C3CC3)nn2C)C1 ZINC000564987697 388905250 /nfs/dbraw/zinc/90/52/50/388905250.db2.gz HFJFZHUIAQMVGG-GXSJLCMTSA-N 2 2 249.362 0.862 20 0 BCADLP CC[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)[C@@H](C)O ZINC000565314864 388937904 /nfs/dbraw/zinc/93/79/04/388937904.db2.gz NMRYRBCEHXIWMY-LDYMZIIASA-N 2 2 211.309 0.978 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000269276532 389008694 /nfs/dbraw/zinc/00/86/94/389008694.db2.gz XQZLFCZYXUQXAK-SECBINFHSA-N 2 2 222.292 0.476 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000269413604 389009741 /nfs/dbraw/zinc/00/97/41/389009741.db2.gz IQXRFIWZKGJIGQ-LBPRGKRZSA-N 2 2 236.319 0.724 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000272993704 389037357 /nfs/dbraw/zinc/03/73/57/389037357.db2.gz QQWJJWXWKVULBC-GFCCVEGCSA-N 2 2 236.319 0.867 20 0 BCADLP C[C@@H]([NH2+]CC(=O)NC(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000400332668 533345849 /nfs/dbraw/zinc/34/58/49/533345849.db2.gz FFFPGGFZIUKUIU-NXEZZACHSA-N 2 2 227.352 0.631 20 0 BCADLP C(C[NH+]1CCOCC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261557493 533365369 /nfs/dbraw/zinc/36/53/69/533365369.db2.gz RUPHYQVPZBSGBV-STQMWFEESA-N 2 2 239.363 0.002 20 0 BCADLP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCOCC1 ZINC000261557493 533365372 /nfs/dbraw/zinc/36/53/72/533365372.db2.gz RUPHYQVPZBSGBV-STQMWFEESA-N 2 2 239.363 0.002 20 0 BCADLP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCOCC1 ZINC000261557493 533365377 /nfs/dbraw/zinc/36/53/77/533365377.db2.gz RUPHYQVPZBSGBV-STQMWFEESA-N 2 2 239.363 0.002 20 0 BCADLP C[C@@H](C[NH3+])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000044797052 132225178 /nfs/dbraw/zinc/22/51/78/132225178.db2.gz VANJJTAIHWLGTN-NSHDSACASA-N 2 2 248.330 0.325 20 0 BCADLP Cc1ccnc(N2CC[NH+](CCC[NH3+])CC2)c1 ZINC000043561285 132297440 /nfs/dbraw/zinc/29/74/40/132297440.db2.gz TVLXDWAIEOMVMF-UHFFFAOYSA-N 2 2 234.347 0.861 20 0 BCADLP Cc1cccc(N2CC[NH+](CCO)CC2)[nH+]1 ZINC000040452413 132347872 /nfs/dbraw/zinc/34/78/72/132347872.db2.gz NJKSUWQJLFZMDV-UHFFFAOYSA-N 2 2 221.304 0.504 20 0 BCADLP CN(CC[N@H+](C)C1CC1)CC[NH+]1CCOCC1 ZINC000351962498 134021254 /nfs/dbraw/zinc/02/12/54/134021254.db2.gz XUGITHZQVFVPCX-UHFFFAOYSA-N 2 2 241.379 0.345 20 0 BCADLP CN(CC[N@@H+](C)C1CC1)CC[NH+]1CCOCC1 ZINC000351962498 134021255 /nfs/dbraw/zinc/02/12/55/134021255.db2.gz XUGITHZQVFVPCX-UHFFFAOYSA-N 2 2 241.379 0.345 20 0 BCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000335989985 134040008 /nfs/dbraw/zinc/04/00/08/134040008.db2.gz RWMBJENFKFHCLN-VIFPVBQESA-N 2 2 247.289 0.005 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(C)C)C1 ZINC000173914667 134276415 /nfs/dbraw/zinc/27/64/15/134276415.db2.gz YVQJJPJNQYRXAS-LBPRGKRZSA-N 2 2 241.379 0.785 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(C)C)C1 ZINC000173914667 134276416 /nfs/dbraw/zinc/27/64/16/134276416.db2.gz YVQJJPJNQYRXAS-LBPRGKRZSA-N 2 2 241.379 0.785 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC(C)C)C1 ZINC000173914667 134276417 /nfs/dbraw/zinc/27/64/17/134276417.db2.gz YVQJJPJNQYRXAS-LBPRGKRZSA-N 2 2 241.379 0.785 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC(C)C)C1 ZINC000173914667 134276418 /nfs/dbraw/zinc/27/64/18/134276418.db2.gz YVQJJPJNQYRXAS-LBPRGKRZSA-N 2 2 241.379 0.785 20 0 BCADLP CC(C)[C@@H](O)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000232142245 134549216 /nfs/dbraw/zinc/54/92/16/134549216.db2.gz SJVPBVYXRJDUPO-UTUOFQBUSA-N 2 2 230.352 0.360 20 0 BCADLP CC[C@H](COC)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000070656831 135008190 /nfs/dbraw/zinc/00/81/90/135008190.db2.gz CNDGKVXNCHBXNW-VXGBXAGGSA-N 2 2 229.368 0.247 20 0 BCADLP CC[C@H](COC)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000070656831 135008193 /nfs/dbraw/zinc/00/81/93/135008193.db2.gz CNDGKVXNCHBXNW-VXGBXAGGSA-N 2 2 229.368 0.247 20 0 BCADLP C[C@H](O)C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000248649830 135018156 /nfs/dbraw/zinc/01/81/56/135018156.db2.gz LJNUVRDMNAMYFZ-RYUDHWBXSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H](O)C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000248649830 135018158 /nfs/dbraw/zinc/01/81/58/135018158.db2.gz LJNUVRDMNAMYFZ-RYUDHWBXSA-N 2 2 242.363 0.552 20 0 BCADLP O[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000250656569 135057041 /nfs/dbraw/zinc/05/70/41/135057041.db2.gz OEHHPOYFDCDVMZ-NTZNESFSSA-N 2 2 224.348 0.974 20 0 BCADLP O[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000250656569 135057044 /nfs/dbraw/zinc/05/70/44/135057044.db2.gz OEHHPOYFDCDVMZ-NTZNESFSSA-N 2 2 224.348 0.974 20 0 BCADLP C[C@@H]1C[N@H+](Cc2cn3cccnc3n2)CC[C@H]1[NH3+] ZINC000251885880 135080109 /nfs/dbraw/zinc/08/01/09/135080109.db2.gz VDOHBKSYMKKECZ-ZYHUDNBSSA-N 2 2 245.330 0.898 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2cn3cccnc3n2)CC[C@H]1[NH3+] ZINC000251885880 135080110 /nfs/dbraw/zinc/08/01/10/135080110.db2.gz VDOHBKSYMKKECZ-ZYHUDNBSSA-N 2 2 245.330 0.898 20 0 BCADLP Cc1c(C[N@@H+]2CCC[NH2+]CC2)cnn1C ZINC000086552420 135089784 /nfs/dbraw/zinc/08/97/84/135089784.db2.gz MJWCDFWGUPAVOW-UHFFFAOYSA-N 2 2 208.309 0.524 20 0 BCADLP Cc1c(C[N@H+]2CCC[NH2+]CC2)cnn1C ZINC000086552420 135089785 /nfs/dbraw/zinc/08/97/85/135089785.db2.gz MJWCDFWGUPAVOW-UHFFFAOYSA-N 2 2 208.309 0.524 20 0 BCADLP Cn1cccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252661548 135093747 /nfs/dbraw/zinc/09/37/47/135093747.db2.gz LYMSDGURTDUHSM-UONOGXRCSA-N 2 2 249.358 0.978 20 0 BCADLP Cn1cccc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252661548 135093748 /nfs/dbraw/zinc/09/37/48/135093748.db2.gz LYMSDGURTDUHSM-UONOGXRCSA-N 2 2 249.358 0.978 20 0 BCADLP COC(=O)[C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000252689264 135097366 /nfs/dbraw/zinc/09/73/66/135097366.db2.gz QRKXPEIPBLMBBV-UWVGGRQHSA-N 2 2 216.325 0.853 20 0 BCADLP COC(=O)[C@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000252689264 135097367 /nfs/dbraw/zinc/09/73/67/135097367.db2.gz QRKXPEIPBLMBBV-UWVGGRQHSA-N 2 2 216.325 0.853 20 0 BCADLP C[C@H](O)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000252716823 135102146 /nfs/dbraw/zinc/10/21/46/135102146.db2.gz ZFKFLMFPSVKJIE-GARJFASQSA-N 2 2 212.337 0.972 20 0 BCADLP C[C@H](O)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000252716823 135102147 /nfs/dbraw/zinc/10/21/47/135102147.db2.gz ZFKFLMFPSVKJIE-GARJFASQSA-N 2 2 212.337 0.972 20 0 BCADLP C[C@H](O)CC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000252716822 135102693 /nfs/dbraw/zinc/10/26/93/135102693.db2.gz ZFKFLMFPSVKJIE-DCAQKATOSA-N 2 2 212.337 0.972 20 0 BCADLP C[C@H](O)CC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000252716822 135102694 /nfs/dbraw/zinc/10/26/94/135102694.db2.gz ZFKFLMFPSVKJIE-DCAQKATOSA-N 2 2 212.337 0.972 20 0 BCADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)c2ccccc21 ZINC000252787580 135109410 /nfs/dbraw/zinc/10/94/10/135109410.db2.gz QOUKPKPKKGJBLQ-AGIUHOORSA-N 2 2 245.326 0.999 20 0 BCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccn(C)n1 ZINC000252890267 135115797 /nfs/dbraw/zinc/11/57/97/135115797.db2.gz GVLFYSNFAOKPCA-ZYHUDNBSSA-N 2 2 222.336 0.850 20 0 BCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccn(C)n1 ZINC000252890267 135115799 /nfs/dbraw/zinc/11/57/99/135115799.db2.gz GVLFYSNFAOKPCA-ZYHUDNBSSA-N 2 2 222.336 0.850 20 0 BCADLP CCn1c[nH+]cc1CN1CC[NH+](C)CC1 ZINC000258195304 135131932 /nfs/dbraw/zinc/13/19/32/135131932.db2.gz NSKZJYSGRSRKJO-UHFFFAOYSA-N 2 2 208.309 0.650 20 0 BCADLP C[N@@H+](Cc1ccc(F)c(F)c1)C[C@H](O)C[NH3+] ZINC000258801107 135134242 /nfs/dbraw/zinc/13/42/42/135134242.db2.gz CFGACBSWHHTVMJ-SECBINFHSA-N 2 2 230.258 0.716 20 0 BCADLP C[N@H+](Cc1ccc(F)c(F)c1)C[C@H](O)C[NH3+] ZINC000258801107 135134244 /nfs/dbraw/zinc/13/42/44/135134244.db2.gz CFGACBSWHHTVMJ-SECBINFHSA-N 2 2 230.258 0.716 20 0 BCADLP Cc1c[nH]nc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257645746 135137321 /nfs/dbraw/zinc/13/73/21/135137321.db2.gz CBXYUTUARMXPEG-LBPRGKRZSA-N 2 2 220.320 0.904 20 0 BCADLP Cc1c[nH]nc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257645746 135137323 /nfs/dbraw/zinc/13/73/23/135137323.db2.gz CBXYUTUARMXPEG-LBPRGKRZSA-N 2 2 220.320 0.904 20 0 BCADLP Cc1cn[nH]c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257645746 135137325 /nfs/dbraw/zinc/13/73/25/135137325.db2.gz CBXYUTUARMXPEG-LBPRGKRZSA-N 2 2 220.320 0.904 20 0 BCADLP Cc1cn[nH]c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257645746 135137327 /nfs/dbraw/zinc/13/73/27/135137327.db2.gz CBXYUTUARMXPEG-LBPRGKRZSA-N 2 2 220.320 0.904 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CCSC[C@H]1CCO ZINC000261527727 135152108 /nfs/dbraw/zinc/15/21/08/135152108.db2.gz GJDPSMHWXPPXEM-RKDXNWHRSA-N 2 2 204.339 0.133 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CCSC[C@H]1CCO ZINC000261527727 135152109 /nfs/dbraw/zinc/15/21/09/135152109.db2.gz GJDPSMHWXPPXEM-RKDXNWHRSA-N 2 2 204.339 0.133 20 0 BCADLP C[N@H+](CCOCC(F)F)[C@@H]1CC[NH2+]C1 ZINC000261528106 135152686 /nfs/dbraw/zinc/15/26/86/135152686.db2.gz IOHMZWWCUGJDSN-MRVPVSSYSA-N 2 2 208.252 0.562 20 0 BCADLP C[N@@H+](CCOCC(F)F)[C@@H]1CC[NH2+]C1 ZINC000261528106 135152687 /nfs/dbraw/zinc/15/26/87/135152687.db2.gz IOHMZWWCUGJDSN-MRVPVSSYSA-N 2 2 208.252 0.562 20 0 BCADLP COC(=O)C(C)(C)C[NH2+][C@H]1CC[NH2+]C1 ZINC000261529090 135155287 /nfs/dbraw/zinc/15/52/87/135155287.db2.gz OXELAYQGFUKNDO-QMMMGPOBSA-N 2 2 200.282 0.137 20 0 BCADLP CCCS(=O)(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000261533939 135166195 /nfs/dbraw/zinc/16/61/95/135166195.db2.gz LWZZEQQVLQLXPZ-MNOVXSKESA-N 2 2 248.392 0.480 20 0 BCADLP CCCS(=O)(=O)CC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000261533939 135166196 /nfs/dbraw/zinc/16/61/96/135166196.db2.gz LWZZEQQVLQLXPZ-MNOVXSKESA-N 2 2 248.392 0.480 20 0 BCADLP CCNC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269680016 135166439 /nfs/dbraw/zinc/16/64/39/135166439.db2.gz ZRDKEEYLMJZVCH-SNVBAGLBSA-N 2 2 236.319 0.725 20 0 BCADLP CCNC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269680016 135166441 /nfs/dbraw/zinc/16/64/41/135166441.db2.gz ZRDKEEYLMJZVCH-SNVBAGLBSA-N 2 2 236.319 0.725 20 0 BCADLP CCCS(=O)(=O)CC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261534948 135169163 /nfs/dbraw/zinc/16/91/63/135169163.db2.gz UPIMDDPTPOXXGI-QWRGUYRKSA-N 2 2 248.392 0.480 20 0 BCADLP CCCS(=O)(=O)CC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261534948 135169165 /nfs/dbraw/zinc/16/91/65/135169165.db2.gz UPIMDDPTPOXXGI-QWRGUYRKSA-N 2 2 248.392 0.480 20 0 BCADLP O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000084081145 135181483 /nfs/dbraw/zinc/18/14/83/135181483.db2.gz VZTMTDZOXIVSAU-MRVPVSSYSA-N 2 2 208.265 0.026 20 0 BCADLP O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC000084081145 135181484 /nfs/dbraw/zinc/18/14/84/135181484.db2.gz VZTMTDZOXIVSAU-MRVPVSSYSA-N 2 2 208.265 0.026 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261541862 135182149 /nfs/dbraw/zinc/18/21/49/135182149.db2.gz BRDFVLPIXLGXEM-DGCLKSJQSA-N 2 2 239.363 0.587 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261541862 135182151 /nfs/dbraw/zinc/18/21/51/135182151.db2.gz BRDFVLPIXLGXEM-DGCLKSJQSA-N 2 2 239.363 0.587 20 0 BCADLP C[N@H+](CC(C)(C)C[NH3+])C[C@@]1(C)CC[NH2+]C1 ZINC000261554786 135194212 /nfs/dbraw/zinc/19/42/12/135194212.db2.gz UOMVSCVMBZGYLJ-LBPRGKRZSA-N 3 2 213.369 0.903 20 0 BCADLP C[N@@H+](CC(C)(C)C[NH3+])C[C@@]1(C)CC[NH2+]C1 ZINC000261554786 135194214 /nfs/dbraw/zinc/19/42/14/135194214.db2.gz UOMVSCVMBZGYLJ-LBPRGKRZSA-N 3 2 213.369 0.903 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261558854 135199372 /nfs/dbraw/zinc/19/93/72/135199372.db2.gz STXCIIBFCIKYHU-FOGDFJRCSA-N 2 2 237.347 0.337 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261558854 135199373 /nfs/dbraw/zinc/19/93/73/135199373.db2.gz STXCIIBFCIKYHU-FOGDFJRCSA-N 2 2 237.347 0.337 20 0 BCADLP COC(=O)C1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000261566392 135208346 /nfs/dbraw/zinc/20/83/46/135208346.db2.gz DLGSDDRRHKBOJM-UHFFFAOYSA-N 2 2 214.309 0.609 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261567038 135209319 /nfs/dbraw/zinc/20/93/19/135209319.db2.gz DVKKXTAGSGLGKI-ZYHUDNBSSA-N 2 2 220.320 0.604 20 0 BCADLP CCC[N@H+](CCn1cncn1)[C@@H]1CC[NH2+]C1 ZINC000261568757 135210606 /nfs/dbraw/zinc/21/06/06/135210606.db2.gz FWBZEPMNXQSYTI-LLVKDONJSA-N 2 2 223.324 0.352 20 0 BCADLP CCC[N@@H+](CCn1cncn1)[C@@H]1CC[NH2+]C1 ZINC000261568757 135210608 /nfs/dbraw/zinc/21/06/08/135210608.db2.gz FWBZEPMNXQSYTI-LLVKDONJSA-N 2 2 223.324 0.352 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261568928 135211693 /nfs/dbraw/zinc/21/16/93/135211693.db2.gz FZMRACRQEMRSOU-QWRGUYRKSA-N 2 2 220.320 0.461 20 0 BCADLP Cn1ccnc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261568928 135211695 /nfs/dbraw/zinc/21/16/95/135211695.db2.gz FZMRACRQEMRSOU-QWRGUYRKSA-N 2 2 220.320 0.461 20 0 BCADLP Cn1ccnc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261568928 135211696 /nfs/dbraw/zinc/21/16/96/135211696.db2.gz FZMRACRQEMRSOU-QWRGUYRKSA-N 2 2 220.320 0.461 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261569724 135212182 /nfs/dbraw/zinc/21/21/82/135212182.db2.gz GMRSYLSTDISALX-MNOVXSKESA-N 2 2 225.336 0.052 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261569724 135212183 /nfs/dbraw/zinc/21/21/83/135212183.db2.gz GMRSYLSTDISALX-MNOVXSKESA-N 2 2 225.336 0.052 20 0 BCADLP CCOC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261571359 135213201 /nfs/dbraw/zinc/21/32/01/135213201.db2.gz HMZIGZHRWBRFQT-ZYHUDNBSSA-N 2 2 226.320 0.623 20 0 BCADLP CCOC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261571359 135213202 /nfs/dbraw/zinc/21/32/02/135213202.db2.gz HMZIGZHRWBRFQT-ZYHUDNBSSA-N 2 2 226.320 0.623 20 0 BCADLP CC(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000261571604 135214015 /nfs/dbraw/zinc/21/40/15/135214015.db2.gz HPAVCIOEWNCPHM-KOLCDFICSA-N 2 2 213.325 0.182 20 0 BCADLP CC(=O)NC[C@@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000261571604 135214017 /nfs/dbraw/zinc/21/40/17/135214017.db2.gz HPAVCIOEWNCPHM-KOLCDFICSA-N 2 2 213.325 0.182 20 0 BCADLP Cc1[nH]ncc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000261572003 135214366 /nfs/dbraw/zinc/21/43/66/135214366.db2.gz HYJUGLMDBHIESU-SCZZXKLOSA-N 2 2 208.309 0.887 20 0 BCADLP Cc1[nH]ncc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000261572003 135214367 /nfs/dbraw/zinc/21/43/67/135214367.db2.gz HYJUGLMDBHIESU-SCZZXKLOSA-N 2 2 208.309 0.887 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261576687 135218764 /nfs/dbraw/zinc/21/87/64/135218764.db2.gz KOMZONLXCOAASW-GHMZBOCLSA-N 2 2 225.336 0.195 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261576687 135218765 /nfs/dbraw/zinc/21/87/65/135218765.db2.gz KOMZONLXCOAASW-GHMZBOCLSA-N 2 2 225.336 0.195 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261581260 135222588 /nfs/dbraw/zinc/22/25/88/135222588.db2.gz QMHOXXKNCFICOT-RYUDHWBXSA-N 2 2 248.330 0.484 20 0 BCADLP Cn1cncc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261583553 135223938 /nfs/dbraw/zinc/22/39/38/135223938.db2.gz PDLQXIPSMIXKMC-LBPRGKRZSA-N 2 2 220.320 0.606 20 0 BCADLP Cn1cncc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261583553 135223940 /nfs/dbraw/zinc/22/39/40/135223940.db2.gz PDLQXIPSMIXKMC-LBPRGKRZSA-N 2 2 220.320 0.606 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000261583553 135223942 /nfs/dbraw/zinc/22/39/42/135223942.db2.gz PDLQXIPSMIXKMC-LBPRGKRZSA-N 2 2 220.320 0.606 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000261584560 135226100 /nfs/dbraw/zinc/22/61/00/135226100.db2.gz PYKUBTBMLKJYLK-WPRPVWTQSA-N 2 2 211.309 0.077 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000261584560 135226102 /nfs/dbraw/zinc/22/61/02/135226102.db2.gz PYKUBTBMLKJYLK-WPRPVWTQSA-N 2 2 211.309 0.077 20 0 BCADLP CC(C)C(=O)NC[C@H]1CCC[N@H+](CC[NH3+])C1 ZINC000261588600 135229426 /nfs/dbraw/zinc/22/94/26/135229426.db2.gz SLMHBOWLHRLBBU-LLVKDONJSA-N 2 2 227.352 0.429 20 0 BCADLP CC(C)C(=O)NC[C@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000261588600 135229427 /nfs/dbraw/zinc/22/94/27/135229427.db2.gz SLMHBOWLHRLBBU-LLVKDONJSA-N 2 2 227.352 0.429 20 0 BCADLP C[C@H]1CC[N@H+](Cc2cnn(C)n2)C[C@@H]1C[NH3+] ZINC000261592263 135232689 /nfs/dbraw/zinc/23/26/89/135232689.db2.gz VTGJJLVGQIWJNQ-UWVGGRQHSA-N 2 2 223.324 0.232 20 0 BCADLP C[C@H]1CC[N@@H+](Cc2cnn(C)n2)C[C@@H]1C[NH3+] ZINC000261592263 135232690 /nfs/dbraw/zinc/23/26/90/135232690.db2.gz VTGJJLVGQIWJNQ-UWVGGRQHSA-N 2 2 223.324 0.232 20 0 BCADLP C[C@H]1CC[N@H+](Cc2cnn(C)n2)C[C@H]1C[NH3+] ZINC000261592266 135232774 /nfs/dbraw/zinc/23/27/74/135232774.db2.gz VTGJJLVGQIWJNQ-VHSXEESVSA-N 2 2 223.324 0.232 20 0 BCADLP C[C@H]1CC[N@@H+](Cc2cnn(C)n2)C[C@H]1C[NH3+] ZINC000261592266 135232775 /nfs/dbraw/zinc/23/27/75/135232775.db2.gz VTGJJLVGQIWJNQ-VHSXEESVSA-N 2 2 223.324 0.232 20 0 BCADLP Cn1nccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261598111 135236727 /nfs/dbraw/zinc/23/67/27/135236727.db2.gz ZKXBMBYRPRINQT-QWRGUYRKSA-N 2 2 220.320 0.461 20 0 BCADLP Cn1nccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261598111 135236728 /nfs/dbraw/zinc/23/67/28/135236728.db2.gz ZKXBMBYRPRINQT-QWRGUYRKSA-N 2 2 220.320 0.461 20 0 BCADLP Cn1nccc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000261546809 135239696 /nfs/dbraw/zinc/23/96/96/135239696.db2.gz LGZIBUHWOQHUON-UHFFFAOYSA-N 2 2 208.309 0.604 20 0 BCADLP Cn1nccc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000261546809 135239697 /nfs/dbraw/zinc/23/96/97/135239697.db2.gz LGZIBUHWOQHUON-UHFFFAOYSA-N 2 2 208.309 0.604 20 0 BCADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000261651213 135242828 /nfs/dbraw/zinc/24/28/28/135242828.db2.gz FCPWHSMBCYJYCU-CYBMUJFWSA-N 2 2 239.363 0.573 20 0 BCADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000261651213 135242829 /nfs/dbraw/zinc/24/28/29/135242829.db2.gz FCPWHSMBCYJYCU-CYBMUJFWSA-N 2 2 239.363 0.573 20 0 BCADLP NC(=[NH2+])NCCc1cn2c([nH+]1)CCCC2 ZINC000261714555 135247360 /nfs/dbraw/zinc/24/73/60/135247360.db2.gz DZRLDRUZXWPHBX-UHFFFAOYSA-N 2 2 207.281 0.245 20 0 BCADLP C[C@@H]([NH3+])CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000261853689 135257639 /nfs/dbraw/zinc/25/76/39/135257639.db2.gz OZMOKNGFUHWQQP-SECBINFHSA-N 2 2 236.319 0.853 20 0 BCADLP FC(F)(F)Cn1cc[nH+]c1CN1CC[NH2+]CC1 ZINC000261866908 135258377 /nfs/dbraw/zinc/25/83/77/135258377.db2.gz RXVKXZMWKRYENX-UHFFFAOYSA-N 2 2 248.252 0.851 20 0 BCADLP Cc1ncsc1CC[N@H+](CC[NH3+])CCO ZINC000342413561 135266830 /nfs/dbraw/zinc/26/68/30/135266830.db2.gz ITGHWAKPZRSKGC-UHFFFAOYSA-N 2 2 229.349 0.247 20 0 BCADLP Cc1ncsc1CC[N@@H+](CC[NH3+])CCO ZINC000342413561 135266831 /nfs/dbraw/zinc/26/68/31/135266831.db2.gz ITGHWAKPZRSKGC-UHFFFAOYSA-N 2 2 229.349 0.247 20 0 BCADLP C[C@@H]1CCCC[C@H]1OCC[N@H+](CC[NH3+])CCO ZINC000342386874 135269906 /nfs/dbraw/zinc/26/99/06/135269906.db2.gz LRVRSEORVCVIKZ-CHWSQXEVSA-N 2 2 244.379 0.835 20 0 BCADLP C[C@@H]1CCCC[C@H]1OCC[N@@H+](CC[NH3+])CCO ZINC000342386874 135269908 /nfs/dbraw/zinc/26/99/08/135269908.db2.gz LRVRSEORVCVIKZ-CHWSQXEVSA-N 2 2 244.379 0.835 20 0 BCADLP CC[C@@H]1C(=O)NCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262084071 135278135 /nfs/dbraw/zinc/27/81/35/135278135.db2.gz UCRZCKZBLDQEDZ-PWSUYJOCSA-N 2 2 225.336 0.196 20 0 BCADLP CC[C@@H]1C(=O)NCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262084071 135278137 /nfs/dbraw/zinc/27/81/37/135278137.db2.gz UCRZCKZBLDQEDZ-PWSUYJOCSA-N 2 2 225.336 0.196 20 0 BCADLP Cc1cnc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000262101704 135279090 /nfs/dbraw/zinc/27/90/90/135279090.db2.gz VPCKDPWFJNUZRC-ZDUSSCGKSA-N 2 2 232.331 0.970 20 0 BCADLP Cc1cnc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000262101704 135279091 /nfs/dbraw/zinc/27/90/91/135279091.db2.gz VPCKDPWFJNUZRC-ZDUSSCGKSA-N 2 2 232.331 0.970 20 0 BCADLP [NH3+]C1(C[NH2+]Cc2cn3cccnc3n2)CCC1 ZINC000262121931 135280274 /nfs/dbraw/zinc/28/02/74/135280274.db2.gz MDQPCEMEEPFQBL-UHFFFAOYSA-N 2 2 231.303 0.700 20 0 BCADLP c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[NH2+]C1)CO2 ZINC000262149962 135282010 /nfs/dbraw/zinc/28/20/10/135282010.db2.gz FXDVHVVEKHJFNJ-NWDGAFQWSA-N 2 2 218.300 0.942 20 0 BCADLP C[C@@](C[NH3+])([NH2+]Cc1cn2cccnc2n1)C1CC1 ZINC000262185829 135284427 /nfs/dbraw/zinc/28/44/27/135284427.db2.gz XRHAZJSGDYVJOF-ZDUSSCGKSA-N 2 2 245.330 0.946 20 0 BCADLP C[C@@H](C[NH3+])C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000262447520 135299247 /nfs/dbraw/zinc/29/92/47/135299247.db2.gz VLUVNHAXXWYBPO-VIFPVBQESA-N 2 2 236.319 0.711 20 0 BCADLP C[C@H](C[NH3+])C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000262440162 135299665 /nfs/dbraw/zinc/29/96/65/135299665.db2.gz UUDXPVVOTRYFII-SECBINFHSA-N 2 2 236.319 0.359 20 0 BCADLP NC(=O)c1ccc(C[N@H+](CC[NH3+])C2CC2)cc1 ZINC000263091635 135331854 /nfs/dbraw/zinc/33/18/54/135331854.db2.gz YKTYHYMDENLMFV-UHFFFAOYSA-N 2 2 233.315 0.709 20 0 BCADLP NC(=O)c1ccc(C[N@@H+](CC[NH3+])C2CC2)cc1 ZINC000263091635 135331856 /nfs/dbraw/zinc/33/18/56/135331856.db2.gz YKTYHYMDENLMFV-UHFFFAOYSA-N 2 2 233.315 0.709 20 0 BCADLP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000334275600 135332538 /nfs/dbraw/zinc/33/25/38/135332538.db2.gz MUKAJZFLDDKSGZ-WCBMZHEXSA-N 2 2 247.289 0.181 20 0 BCADLP CC[NH+]1CCC([NH2+][C@@H](C)C[S@@](C)=O)CC1 ZINC000164500145 135380279 /nfs/dbraw/zinc/38/02/79/135380279.db2.gz ALKORMOFBFHADU-BONVTDFDSA-N 2 2 232.393 0.827 20 0 BCADLP Cc1ccn2cc(CNC(=O)[C@@H]3C[C@@H]3[NH3+])[nH+]c2c1 ZINC000335283726 136001397 /nfs/dbraw/zinc/00/13/97/136001397.db2.gz QXUPFFATDYWKNS-MNOVXSKESA-N 2 2 244.298 0.606 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(C(N)=O)CCCC1 ZINC000347836867 136014655 /nfs/dbraw/zinc/01/46/55/136014655.db2.gz KUEDFJGSKGTLGH-GHMZBOCLSA-N 2 2 239.363 0.572 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(C(N)=O)CCCC1 ZINC000347836867 136014656 /nfs/dbraw/zinc/01/46/56/136014656.db2.gz KUEDFJGSKGTLGH-GHMZBOCLSA-N 2 2 239.363 0.572 20 0 BCADLP CNC(=O)C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348051290 136031144 /nfs/dbraw/zinc/03/11/44/136031144.db2.gz STKIMMCFCCNTPO-JTQLQIEISA-N 2 2 213.325 0.149 20 0 BCADLP CNC(=O)C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348051290 136031145 /nfs/dbraw/zinc/03/11/45/136031145.db2.gz STKIMMCFCCNTPO-JTQLQIEISA-N 2 2 213.325 0.149 20 0 BCADLP CNC(=O)C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000348051290 136031146 /nfs/dbraw/zinc/03/11/46/136031146.db2.gz STKIMMCFCCNTPO-JTQLQIEISA-N 2 2 213.325 0.149 20 0 BCADLP CNC(=O)C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000348051290 136031147 /nfs/dbraw/zinc/03/11/47/136031147.db2.gz STKIMMCFCCNTPO-JTQLQIEISA-N 2 2 213.325 0.149 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)F)C1 ZINC000348149997 136040002 /nfs/dbraw/zinc/04/00/02/136040002.db2.gz KIEHZEYRRPDNDP-IVZWLZJFSA-N 2 2 234.290 0.950 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)F)C1 ZINC000348149997 136040003 /nfs/dbraw/zinc/04/00/03/136040003.db2.gz KIEHZEYRRPDNDP-IVZWLZJFSA-N 2 2 234.290 0.950 20 0 BCADLP CC[C@H](COC)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166126984 136072995 /nfs/dbraw/zinc/07/29/95/136072995.db2.gz IJRVIVGHBARVAU-QJPTWQEYSA-N 2 2 230.352 0.768 20 0 BCADLP COC[C@H](C)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000166117044 136073934 /nfs/dbraw/zinc/07/39/34/136073934.db2.gz BUDWKZCKRRWZJB-UTUOFQBUSA-N 2 2 230.352 0.626 20 0 BCADLP CC(C)OCC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166150235 136088322 /nfs/dbraw/zinc/08/83/22/136088322.db2.gz UKOVYHGESUMODJ-VXGBXAGGSA-N 2 2 230.352 0.768 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335570396 136109362 /nfs/dbraw/zinc/10/93/62/136109362.db2.gz OBZJREFJAAHDGI-ZDUSSCGKSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335570396 136109363 /nfs/dbraw/zinc/10/93/63/136109363.db2.gz OBZJREFJAAHDGI-ZDUSSCGKSA-N 2 2 234.347 0.948 20 0 BCADLP CN1CC[C@H]([N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000335570398 136109536 /nfs/dbraw/zinc/10/95/36/136109536.db2.gz OHCSBUBGNCEUOZ-AAEUAGOBSA-N 2 2 237.347 0.245 20 0 BCADLP CN1CC[C@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000335570398 136109537 /nfs/dbraw/zinc/10/95/37/136109537.db2.gz OHCSBUBGNCEUOZ-AAEUAGOBSA-N 2 2 237.347 0.245 20 0 BCADLP CN1CC[C@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1=O ZINC000335570398 136109538 /nfs/dbraw/zinc/10/95/38/136109538.db2.gz OHCSBUBGNCEUOZ-AAEUAGOBSA-N 2 2 237.347 0.245 20 0 BCADLP CN1CC[C@H]([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000335570398 136109539 /nfs/dbraw/zinc/10/95/39/136109539.db2.gz OHCSBUBGNCEUOZ-AAEUAGOBSA-N 2 2 237.347 0.245 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](CO)c1cccnc1 ZINC000348677699 136113301 /nfs/dbraw/zinc/11/33/01/136113301.db2.gz GGFVUOBPUQLNGM-BNOWGMLFSA-N 2 2 249.358 0.697 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](CO)c1cccnc1 ZINC000348677699 136113302 /nfs/dbraw/zinc/11/33/02/136113302.db2.gz GGFVUOBPUQLNGM-BNOWGMLFSA-N 2 2 249.358 0.697 20 0 BCADLP Cc1nc(N2CC[N@@H+](CCO)C[C@H]2C)cc[nH+]1 ZINC000649566392 397956449 /nfs/dbraw/zinc/95/64/49/397956449.db2.gz NAXZGRXUPFTYII-SNVBAGLBSA-N 2 2 236.319 0.288 20 0 BCADLP Cc1nc(N2CC[N@H+](CCO)C[C@H]2C)cc[nH+]1 ZINC000649566392 397956453 /nfs/dbraw/zinc/95/64/53/397956453.db2.gz NAXZGRXUPFTYII-SNVBAGLBSA-N 2 2 236.319 0.288 20 0 BCADLP COCC[C@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000082668956 397995295 /nfs/dbraw/zinc/99/52/95/397995295.db2.gz FIYAIIZSMNRWPI-RYUDHWBXSA-N 2 2 229.368 0.247 20 0 BCADLP COCC[C@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000082668956 397995296 /nfs/dbraw/zinc/99/52/96/397995296.db2.gz FIYAIIZSMNRWPI-RYUDHWBXSA-N 2 2 229.368 0.247 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCO)C1 ZINC000373116031 398013828 /nfs/dbraw/zinc/01/38/28/398013828.db2.gz RBPNFVUTGHEIPO-JTQLQIEISA-N 2 2 209.293 0.592 20 0 BCADLP C[NH+](C)CCN1CC[N@H+](CCCCF)CC1=O ZINC000649684989 398035627 /nfs/dbraw/zinc/03/56/27/398035627.db2.gz KAQCQVKVANLYPR-UHFFFAOYSA-N 2 2 245.342 0.442 20 0 BCADLP C[NH+](C)CCN1CC[N@@H+](CCCCF)CC1=O ZINC000649684989 398035629 /nfs/dbraw/zinc/03/56/29/398035629.db2.gz KAQCQVKVANLYPR-UHFFFAOYSA-N 2 2 245.342 0.442 20 0 BCADLP C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1CC[NH2+]C1 ZINC000382754702 397972563 /nfs/dbraw/zinc/97/25/63/397972563.db2.gz MGMFBFMZCVQWCY-JTQLQIEISA-N 2 2 227.352 0.442 20 0 BCADLP C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1CC[NH2+]C1 ZINC000382754702 397972568 /nfs/dbraw/zinc/97/25/68/397972568.db2.gz MGMFBFMZCVQWCY-JTQLQIEISA-N 2 2 227.352 0.442 20 0 BCADLP CCO[C@H]1COCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000362018493 397978368 /nfs/dbraw/zinc/97/83/68/397978368.db2.gz DVTVQTLEWZRPHR-NEPJUHHUSA-N 2 2 239.319 0.667 20 0 BCADLP Cc1ccncc1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313345342 398043538 /nfs/dbraw/zinc/04/35/38/398043538.db2.gz FNBYPLMEIVSIEB-ZDUSSCGKSA-N 2 2 235.331 0.940 20 0 BCADLP Cc1ccncc1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313345342 398043541 /nfs/dbraw/zinc/04/35/41/398043541.db2.gz FNBYPLMEIVSIEB-ZDUSSCGKSA-N 2 2 235.331 0.940 20 0 BCADLP COC[C@H]1C[C@@H](O)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000649763823 398091304 /nfs/dbraw/zinc/09/13/04/398091304.db2.gz FVWBCCGKFRQVJJ-VXGBXAGGSA-N 2 2 239.319 0.355 20 0 BCADLP COC[C@H]1C[C@@H](O)C[N@H+]1CCCn1cc[nH+]c1 ZINC000649763823 398091306 /nfs/dbraw/zinc/09/13/06/398091306.db2.gz FVWBCCGKFRQVJJ-VXGBXAGGSA-N 2 2 239.319 0.355 20 0 BCADLP Cn1c[nH+]cc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000219791112 398106362 /nfs/dbraw/zinc/10/63/62/398106362.db2.gz VXRQJSZKEJTJOQ-CMPLNLGQSA-N 2 2 220.320 0.604 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414933698 398114386 /nfs/dbraw/zinc/11/43/86/398114386.db2.gz SGCPGZZJSZMHQU-IJLUTSLNSA-N 2 2 222.336 0.859 20 0 BCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000547863554 398133418 /nfs/dbraw/zinc/13/34/18/398133418.db2.gz YFXRULBLKDYTHC-SNVBAGLBSA-N 2 2 236.319 0.173 20 0 BCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCC[N@H+]1C ZINC000547863554 398133421 /nfs/dbraw/zinc/13/34/21/398133421.db2.gz YFXRULBLKDYTHC-SNVBAGLBSA-N 2 2 236.319 0.173 20 0 BCADLP CC(C)N1C[C@@H]([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1=O ZINC000358150681 167031801 /nfs/dbraw/zinc/03/18/01/167031801.db2.gz ILZNLWLQSIZDSQ-GRYCIOLGSA-N 2 2 239.363 0.535 20 0 BCADLP CC(C)N1C[C@@H]([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1=O ZINC000358150681 167031802 /nfs/dbraw/zinc/03/18/02/167031802.db2.gz ILZNLWLQSIZDSQ-GRYCIOLGSA-N 2 2 239.363 0.535 20 0 BCADLP CC(C)NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123289296 167048163 /nfs/dbraw/zinc/04/81/63/167048163.db2.gz VTGQXDBOIQQVCG-RYUDHWBXSA-N 2 2 241.379 0.926 20 0 BCADLP CC(C)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123289296 167048167 /nfs/dbraw/zinc/04/81/67/167048167.db2.gz VTGQXDBOIQQVCG-RYUDHWBXSA-N 2 2 241.379 0.926 20 0 BCADLP CC(C)NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123289296 167048170 /nfs/dbraw/zinc/04/81/70/167048170.db2.gz VTGQXDBOIQQVCG-RYUDHWBXSA-N 2 2 241.379 0.926 20 0 BCADLP CC(C)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123289296 167048172 /nfs/dbraw/zinc/04/81/72/167048172.db2.gz VTGQXDBOIQQVCG-RYUDHWBXSA-N 2 2 241.379 0.926 20 0 BCADLP CC(C)NC(=O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000035136056 167058495 /nfs/dbraw/zinc/05/84/95/167058495.db2.gz PPONLWSUSCXOPP-UHFFFAOYSA-N 2 2 241.379 0.973 20 0 BCADLP CC(C)[NH2+]CC[N@@H+]1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000368075515 167106746 /nfs/dbraw/zinc/10/67/46/167106746.db2.gz ZLCGZYJHMMZIFJ-GHMZBOCLSA-N 2 2 225.336 0.052 20 0 BCADLP CC(C)[NH2+]CC[N@H+]1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000368075515 167106749 /nfs/dbraw/zinc/10/67/49/167106749.db2.gz ZLCGZYJHMMZIFJ-GHMZBOCLSA-N 2 2 225.336 0.052 20 0 BCADLP CC(C)[NH2+]CC[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000309619908 167107362 /nfs/dbraw/zinc/10/73/62/167107362.db2.gz OVHAFRNSXSKMIP-LBPRGKRZSA-N 2 2 225.336 0.196 20 0 BCADLP CC(C)[NH2+]CC[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000309619908 167107364 /nfs/dbraw/zinc/10/73/64/167107364.db2.gz OVHAFRNSXSKMIP-LBPRGKRZSA-N 2 2 225.336 0.196 20 0 BCADLP C[C@@H](C[NH2+][C@H]1CCOC[C@H]1C)[NH+](C)C ZINC000300871852 176341479 /nfs/dbraw/zinc/34/14/79/176341479.db2.gz PUGJGRRBFQEKJM-VWYCJHECSA-N 2 2 200.326 0.951 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)CS1 ZINC000086936046 487587692 /nfs/dbraw/zinc/58/76/92/487587692.db2.gz KLESITKRKPYQMH-IJLUTSLNSA-N 2 2 243.420 0.716 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)CS1 ZINC000086936046 487587696 /nfs/dbraw/zinc/58/76/96/487587696.db2.gz KLESITKRKPYQMH-IJLUTSLNSA-N 2 2 243.420 0.716 20 0 BCADLP CC(C)[C@H](C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653093980 487600262 /nfs/dbraw/zinc/60/02/62/487600262.db2.gz TZMXFMSXLLKKKS-MNOVXSKESA-N 2 2 229.368 0.674 20 0 BCADLP Cc1nnc([C@H](C)[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)[nH]1 ZINC000662266279 409563585 /nfs/dbraw/zinc/56/35/85/409563585.db2.gz LDFLGRNVVUBTLL-NRPADANISA-N 2 2 223.324 0.843 20 0 BCADLP Cc1nnc([C@H](C)[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)[nH]1 ZINC000662266279 409563595 /nfs/dbraw/zinc/56/35/95/409563595.db2.gz LDFLGRNVVUBTLL-NRPADANISA-N 2 2 223.324 0.843 20 0 BCADLP CO[C@@H](C[N@@H+]1CCO[C@@H](C[NH3+])C1)C1CCCC1 ZINC000662266540 409566889 /nfs/dbraw/zinc/56/68/89/409566889.db2.gz MXKXCXGOIWMNTK-STQMWFEESA-N 2 2 242.363 0.851 20 0 BCADLP CO[C@@H](C[N@H+]1CCO[C@@H](C[NH3+])C1)C1CCCC1 ZINC000662266540 409566891 /nfs/dbraw/zinc/56/68/91/409566891.db2.gz MXKXCXGOIWMNTK-STQMWFEESA-N 2 2 242.363 0.851 20 0 BCADLP CCOC[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662254439 409552618 /nfs/dbraw/zinc/55/26/18/409552618.db2.gz HZCPKOPNOBOMQN-OLZOCXBDSA-N 2 2 242.363 0.723 20 0 BCADLP CCOC[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662254439 409552624 /nfs/dbraw/zinc/55/26/24/409552624.db2.gz HZCPKOPNOBOMQN-OLZOCXBDSA-N 2 2 242.363 0.723 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1(C)CCCC1 ZINC000653088742 409618361 /nfs/dbraw/zinc/61/83/61/409618361.db2.gz JZXVXUIVXIDSSO-LLVKDONJSA-N 2 2 241.379 0.962 20 0 BCADLP [NH3+]CC[N@H+](C[C@H](O)CO)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000662285458 409618904 /nfs/dbraw/zinc/61/89/04/409618904.db2.gz BBZRZQVMYCSDKY-XQHKEYJVSA-N 2 2 242.363 0.037 20 0 BCADLP [NH3+]CC[N@@H+](C[C@H](O)CO)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000662285458 409618908 /nfs/dbraw/zinc/61/89/08/409618908.db2.gz BBZRZQVMYCSDKY-XQHKEYJVSA-N 2 2 242.363 0.037 20 0 BCADLP C[C@@H]1CSCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653090430 409631007 /nfs/dbraw/zinc/63/10/07/409631007.db2.gz PCVRFFANIVYOLU-ZJUUUORDSA-N 2 2 245.392 0.229 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CC1(C)C ZINC000653090646 409632731 /nfs/dbraw/zinc/63/27/31/409632731.db2.gz WNHHMILLOJIUOT-UWVGGRQHSA-N 2 2 227.352 0.428 20 0 BCADLP COC[C@H](C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)OC ZINC000662277727 409594605 /nfs/dbraw/zinc/59/46/05/409594605.db2.gz WHYCLOFTZUSKKM-SRVKXCTJSA-N 2 2 228.336 0.332 20 0 BCADLP COC[C@H](C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)OC ZINC000662277727 409594615 /nfs/dbraw/zinc/59/46/15/409594615.db2.gz WHYCLOFTZUSKKM-SRVKXCTJSA-N 2 2 228.336 0.332 20 0 BCADLP CC(C)C(C)(C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653079807 409596489 /nfs/dbraw/zinc/59/64/89/409596489.db2.gz NXVCQQJKHRWCHN-SNVBAGLBSA-N 2 2 229.368 0.816 20 0 BCADLP CCCC(C)(C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653082782 409604531 /nfs/dbraw/zinc/60/45/31/409604531.db2.gz DQRBPGDGFMUACS-SNVBAGLBSA-N 2 2 229.368 0.960 20 0 BCADLP [NH3+]CCC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662282492 409606916 /nfs/dbraw/zinc/60/69/16/409606916.db2.gz AMHWDWUZIQTTBY-LBPRGKRZSA-N 3 2 227.352 0.036 20 0 BCADLP CC1CC(NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653091775 409672390 /nfs/dbraw/zinc/67/23/90/409672390.db2.gz ICWGGRFFVYEPDG-UDNWOFFPSA-N 2 2 213.325 0.180 20 0 BCADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1CCC1 ZINC000653091820 409673801 /nfs/dbraw/zinc/67/38/01/409673801.db2.gz JFRODAAFIGMALM-SNVBAGLBSA-N 2 2 213.325 0.276 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000662586383 409771974 /nfs/dbraw/zinc/77/19/74/409771974.db2.gz TWGAVVZGONHHER-ZYHUDNBSSA-N 2 2 234.303 0.368 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000662586383 409771984 /nfs/dbraw/zinc/77/19/84/409771984.db2.gz TWGAVVZGONHHER-ZYHUDNBSSA-N 2 2 234.303 0.368 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000660809893 409778540 /nfs/dbraw/zinc/77/85/40/409778540.db2.gz AIGRSHUAQCHGBQ-JQWIXIFHSA-N 2 2 239.319 0.273 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000660809893 409778547 /nfs/dbraw/zinc/77/85/47/409778547.db2.gz AIGRSHUAQCHGBQ-JQWIXIFHSA-N 2 2 239.319 0.273 20 0 BCADLP C[C@H](C[NH3+])NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000653130542 409846376 /nfs/dbraw/zinc/84/63/76/409846376.db2.gz RPQHNDNEHVFQJW-BDAKNGLRSA-N 2 2 210.281 0.298 20 0 BCADLP CCCC1(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653104766 409798962 /nfs/dbraw/zinc/79/89/62/409798962.db2.gz UGFPUXFPTUTHMW-LLVKDONJSA-N 2 2 241.379 0.962 20 0 BCADLP CC(=O)N[C@H]1CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000660833131 409814739 /nfs/dbraw/zinc/81/47/39/409814739.db2.gz KXGZPILUFFSARV-LBPRGKRZSA-N 2 2 236.319 0.402 20 0 BCADLP C[NH+](C)CC(C)(C)[NH2+]CC[C@H]1CCNC1=O ZINC000308632271 409896058 /nfs/dbraw/zinc/89/60/58/409896058.db2.gz QEXFEFUIGHNENL-SNVBAGLBSA-N 2 2 227.352 0.442 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H](C)C[NH3+] ZINC000662899288 409973722 /nfs/dbraw/zinc/97/37/22/409973722.db2.gz FYEGGLZCPMBSCO-IUCAKERBSA-N 2 2 224.308 0.675 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)C1([NH3+])CCC1 ZINC000662900494 409973772 /nfs/dbraw/zinc/97/37/72/409973772.db2.gz PWLBBZWIBRVAPX-VIFPVBQESA-N 2 2 236.319 0.962 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)C[NH2+]C1CC1 ZINC000662900603 409974612 /nfs/dbraw/zinc/97/46/12/409974612.db2.gz RHBBICXXQOMMEW-SECBINFHSA-N 2 2 236.319 0.832 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)C1([NH3+])CC1 ZINC000662901202 409977680 /nfs/dbraw/zinc/97/76/80/409977680.db2.gz XAQWDHDREMVYHM-MRVPVSSYSA-N 2 2 222.292 0.572 20 0 BCADLP C[NH2+]CCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662933182 409980558 /nfs/dbraw/zinc/98/05/58/409980558.db2.gz IBJPHEBNBXSHQO-MRVPVSSYSA-N 2 2 210.281 0.207 20 0 BCADLP C[C@@H](NC(=O)c1coc(C[NH3+])c1)c1[nH+]ccn1C ZINC000662934297 409980591 /nfs/dbraw/zinc/98/05/91/409980591.db2.gz MYGKDOVHJPUSFT-MRVPVSSYSA-N 2 2 248.286 0.963 20 0 BCADLP C[C@@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)c1[nH+]ccn1C ZINC000662933644 409981587 /nfs/dbraw/zinc/98/15/87/409981587.db2.gz JBHZXYNONYBSPR-BDAKNGLRSA-N 2 2 236.319 0.595 20 0 BCADLP C[C@@H](NC(=O)c1ccc(C[NH3+])o1)c1[nH+]ccn1C ZINC000662934774 409982780 /nfs/dbraw/zinc/98/27/80/409982780.db2.gz QROFSWJYOOMPIR-MRVPVSSYSA-N 2 2 248.286 0.963 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCOCCF ZINC000663340587 410147788 /nfs/dbraw/zinc/14/77/88/410147788.db2.gz QNQXKFOCFBQSFP-NXEZZACHSA-N 2 2 204.289 0.512 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCOCCF ZINC000663340587 410147794 /nfs/dbraw/zinc/14/77/94/410147794.db2.gz QNQXKFOCFBQSFP-NXEZZACHSA-N 2 2 204.289 0.512 20 0 BCADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)(C)C ZINC000653168178 410135003 /nfs/dbraw/zinc/13/50/03/410135003.db2.gz RRYBVIVBTSITPT-SECBINFHSA-N 2 2 215.341 0.522 20 0 BCADLP CN(CC(F)(F)F)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653168181 410135757 /nfs/dbraw/zinc/13/57/57/410135757.db2.gz RUAZBSPRXUEHIK-ZETCQYMHSA-N 2 2 241.257 0.286 20 0 BCADLP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000655412197 410215854 /nfs/dbraw/zinc/21/58/54/410215854.db2.gz NQYJZGJTHOFPQX-WDEREUQCSA-N 2 2 248.330 0.266 20 0 BCADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CC[NH2+]C1 ZINC000655414023 410218708 /nfs/dbraw/zinc/21/87/08/410218708.db2.gz DHTFPXRCIYKLSB-MNOVXSKESA-N 2 2 248.330 0.266 20 0 BCADLP [NH3+][C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000655415747 410221065 /nfs/dbraw/zinc/22/10/65/410221065.db2.gz DTVYQGROHHDCIQ-UWVGGRQHSA-N 2 2 234.303 0.005 20 0 BCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC[NH2+]1 ZINC000655416229 410222410 /nfs/dbraw/zinc/22/24/10/410222410.db2.gz ZZUGUNCKXLGXOE-MNOVXSKESA-N 2 2 248.330 0.266 20 0 BCADLP CN(CCC[NH3+])C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655418027 410223538 /nfs/dbraw/zinc/22/35/38/410223538.db2.gz NEPITTRLXKHXOT-JTQLQIEISA-N 2 2 236.319 0.253 20 0 BCADLP CC(C)([NH3+])CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655417479 410225606 /nfs/dbraw/zinc/22/56/06/410225606.db2.gz LVMVQPITYYDZHK-VIFPVBQESA-N 2 2 236.319 0.299 20 0 BCADLP c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[NH2+]C1)CN2 ZINC000650715042 410349641 /nfs/dbraw/zinc/34/96/41/410349641.db2.gz MMXCSXIYTHEEKB-NWDGAFQWSA-N 2 2 217.316 0.975 20 0 BCADLP CCO[C@@H]1C[N@H+](Cc2cc[nH]n2)C[C@H]1C[NH3+] ZINC000650715050 410350612 /nfs/dbraw/zinc/35/06/12/410350612.db2.gz MYGWTBARZZKUAB-MWLCHTKSSA-N 2 2 224.308 0.205 20 0 BCADLP CCO[C@@H]1C[N@@H+](Cc2cc[nH]n2)C[C@H]1C[NH3+] ZINC000650715050 410350620 /nfs/dbraw/zinc/35/06/20/410350620.db2.gz MYGWTBARZZKUAB-MWLCHTKSSA-N 2 2 224.308 0.205 20 0 BCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650747565 410388049 /nfs/dbraw/zinc/38/80/49/410388049.db2.gz CJUSWFGHBIDXKW-RYUDHWBXSA-N 3 2 241.379 0.472 20 0 BCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650747564 410388105 /nfs/dbraw/zinc/38/81/05/410388105.db2.gz CJUSWFGHBIDXKW-NWDGAFQWSA-N 3 2 241.379 0.472 20 0 BCADLP CCN1C[C@H](C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1=O ZINC000652001536 410565449 /nfs/dbraw/zinc/56/54/49/410565449.db2.gz WVELYBGEXUSBFZ-SRVKXCTJSA-N 2 2 239.363 0.395 20 0 BCADLP CCN1C[C@H](C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1=O ZINC000652001536 410565454 /nfs/dbraw/zinc/56/54/54/410565454.db2.gz WVELYBGEXUSBFZ-SRVKXCTJSA-N 2 2 239.363 0.395 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCOC[C@H]1C ZINC000309256621 410667578 /nfs/dbraw/zinc/66/75/78/410667578.db2.gz OKPYHNRTIUNCJB-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCOC[C@H]1C ZINC000309256621 410667581 /nfs/dbraw/zinc/66/75/81/410667581.db2.gz OKPYHNRTIUNCJB-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCOC[C@H]1C ZINC000309256621 410667586 /nfs/dbraw/zinc/66/75/86/410667586.db2.gz OKPYHNRTIUNCJB-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCOC[C@H]1C ZINC000309256621 410667589 /nfs/dbraw/zinc/66/75/89/410667589.db2.gz OKPYHNRTIUNCJB-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP CC(C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000125409612 167101604 /nfs/dbraw/zinc/10/16/04/167101604.db2.gz ZOTYJLZBQLDXME-GFCCVEGCSA-N 2 2 241.379 0.927 20 0 BCADLP CC(C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000125409612 167101606 /nfs/dbraw/zinc/10/16/06/167101606.db2.gz ZOTYJLZBQLDXME-GFCCVEGCSA-N 2 2 241.379 0.927 20 0 BCADLP CC(C)OC[C@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000337346120 167265091 /nfs/dbraw/zinc/26/50/91/167265091.db2.gz VUYIEMPJUIZNOB-STQMWFEESA-N 2 2 243.395 0.635 20 0 BCADLP CC(C)[C@@H](C[NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000044799992 167395666 /nfs/dbraw/zinc/39/56/66/167395666.db2.gz ZAFSKTMDCSHZTC-LLVKDONJSA-N 2 2 238.335 0.620 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CCF)C[N@@H+]1C1CC1 ZINC000652018503 410991625 /nfs/dbraw/zinc/99/16/25/410991625.db2.gz VELLQCXNAFLQBY-MXWKQRLJSA-N 2 2 230.327 0.922 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CCF)C[N@H+]1C1CC1 ZINC000652018503 410991631 /nfs/dbraw/zinc/99/16/31/410991631.db2.gz VELLQCXNAFLQBY-MXWKQRLJSA-N 2 2 230.327 0.922 20 0 BCADLP [NH3+][C@H](C(=O)NCCn1cc[nH+]c1)C1CCC1 ZINC000399021384 411008756 /nfs/dbraw/zinc/00/87/56/411008756.db2.gz IBTFYFMUZNILHP-JTQLQIEISA-N 2 2 222.292 0.127 20 0 BCADLP [NH3+][C@@H](C(=O)NCc1c[nH+]c[nH]1)C1CCC1 ZINC000399021438 411008980 /nfs/dbraw/zinc/00/89/80/411008980.db2.gz IDPNGITVCOZRKS-SECBINFHSA-N 2 2 208.265 0.153 20 0 BCADLP [NH3+][C@@H](C(=O)NCc1c[nH]c[nH+]1)C1CCC1 ZINC000399021438 411008988 /nfs/dbraw/zinc/00/89/88/411008988.db2.gz IDPNGITVCOZRKS-SECBINFHSA-N 2 2 208.265 0.153 20 0 BCADLP CC(C)COCC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000300052490 411076594 /nfs/dbraw/zinc/07/65/94/411076594.db2.gz GHWIUFJBXRWIFT-RYUDHWBXSA-N 2 2 230.352 0.707 20 0 BCADLP CC(C)COCC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000300052490 411076598 /nfs/dbraw/zinc/07/65/98/411076598.db2.gz GHWIUFJBXRWIFT-RYUDHWBXSA-N 2 2 230.352 0.707 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H](CO)CCF ZINC000652021297 411031466 /nfs/dbraw/zinc/03/14/66/411031466.db2.gz VVQWRUVYTDIRSD-FOGDFJRCSA-N 2 2 230.327 0.779 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H](CO)CCF ZINC000652021297 411031468 /nfs/dbraw/zinc/03/14/68/411031468.db2.gz VVQWRUVYTDIRSD-FOGDFJRCSA-N 2 2 230.327 0.779 20 0 BCADLP CCn1c[nH+]cc1C[N@@H+]1C[C@H](O)C[C@@H]1COC ZINC000651950059 411160184 /nfs/dbraw/zinc/16/01/84/411160184.db2.gz CQOMWIGGAOQSRY-ZYHUDNBSSA-N 2 2 239.319 0.485 20 0 BCADLP CCn1c[nH+]cc1C[N@H+]1C[C@H](O)C[C@@H]1COC ZINC000651950059 411160188 /nfs/dbraw/zinc/16/01/88/411160188.db2.gz CQOMWIGGAOQSRY-ZYHUDNBSSA-N 2 2 239.319 0.485 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC[C@@]1(O)CCCOC1 ZINC000652041312 411089452 /nfs/dbraw/zinc/08/94/52/411089452.db2.gz YOHODWPJLMUMHR-UPJWGTAASA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC[C@@]1(O)CCCOC1 ZINC000652041312 411089459 /nfs/dbraw/zinc/08/94/59/411089459.db2.gz YOHODWPJLMUMHR-UPJWGTAASA-N 2 2 242.363 0.458 20 0 BCADLP O=C1C[C@H](C[NH+]2CCC(n3cc[nH+]c3)CC2)CN1 ZINC000659997873 411161628 /nfs/dbraw/zinc/16/16/28/411161628.db2.gz DPDCUORXZGZVAJ-NSHDSACASA-N 2 2 248.330 0.656 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000309381023 411120929 /nfs/dbraw/zinc/12/09/29/411120929.db2.gz DIDQKLCHAYJUDQ-UTUOFQBUSA-N 3 2 211.353 0.655 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000309381023 411120931 /nfs/dbraw/zinc/12/09/31/411120931.db2.gz DIDQKLCHAYJUDQ-UTUOFQBUSA-N 3 2 211.353 0.655 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)CN1CC[NH2+]CC1 ZINC000111043626 411125030 /nfs/dbraw/zinc/12/50/30/411125030.db2.gz UOQASVFRAMNRSB-UHFFFAOYSA-N 2 2 234.303 0.234 20 0 BCADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCOC2)C[N@@H+]1C1CC1 ZINC000130311992 411174485 /nfs/dbraw/zinc/17/44/85/411174485.db2.gz UPNNWGHIUFTQFF-AXFHLTTASA-N 2 2 210.321 0.990 20 0 BCADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCOC2)C[N@H+]1C1CC1 ZINC000130311992 411174488 /nfs/dbraw/zinc/17/44/88/411174488.db2.gz UPNNWGHIUFTQFF-AXFHLTTASA-N 2 2 210.321 0.990 20 0 BCADLP c1cn(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c[nH+]1 ZINC000401117415 411176771 /nfs/dbraw/zinc/17/67/71/411176771.db2.gz IQXUACAQLSGQLO-JHJVBQTASA-N 3 2 234.347 0.861 20 0 BCADLP O=C1C[C@H]([NH2+]CCCn2cc[nH+]c2)CCCN1 ZINC000111827943 411181274 /nfs/dbraw/zinc/18/12/74/411181274.db2.gz HRFQEJSRSNEEFX-LLVKDONJSA-N 2 2 236.319 0.532 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC(C(C)C)C1 ZINC000656151704 411187221 /nfs/dbraw/zinc/18/72/21/411187221.db2.gz BOHOZWCXYPUDIF-CYBMUJFWSA-N 2 2 244.379 0.513 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C(C)C)C1 ZINC000656151704 411187224 /nfs/dbraw/zinc/18/72/24/411187224.db2.gz BOHOZWCXYPUDIF-CYBMUJFWSA-N 2 2 244.379 0.513 20 0 BCADLP CN(Cc1[nH+]ccn1C)C[C@@H]1CC[NH2+]C1 ZINC000062252294 411197566 /nfs/dbraw/zinc/19/75/66/411197566.db2.gz FRCPWEXFOQTFAN-SNVBAGLBSA-N 2 2 208.309 0.461 20 0 BCADLP [NH3+][C@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000656193014 411198198 /nfs/dbraw/zinc/19/81/98/411198198.db2.gz HVIDDIDJEZTTJR-MMWGEVLESA-N 3 2 215.316 0.546 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000652338642 411204398 /nfs/dbraw/zinc/20/43/98/411204398.db2.gz KFPSGHXJWYKFME-QWHCGFSZSA-N 3 2 243.395 0.230 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000652338642 411204400 /nfs/dbraw/zinc/20/44/00/411204400.db2.gz KFPSGHXJWYKFME-QWHCGFSZSA-N 3 2 243.395 0.230 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000652338642 411204403 /nfs/dbraw/zinc/20/44/03/411204403.db2.gz KFPSGHXJWYKFME-QWHCGFSZSA-N 3 2 243.395 0.230 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000652338642 411204407 /nfs/dbraw/zinc/20/44/07/411204407.db2.gz KFPSGHXJWYKFME-QWHCGFSZSA-N 3 2 243.395 0.230 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000652341124 411205276 /nfs/dbraw/zinc/20/52/76/411205276.db2.gz ICSKUAQXHRNRNN-CHWSQXEVSA-N 3 2 241.379 0.032 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000652341124 411205278 /nfs/dbraw/zinc/20/52/78/411205278.db2.gz ICSKUAQXHRNRNN-CHWSQXEVSA-N 3 2 241.379 0.032 20 0 BCADLP [NH3+]CC[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349253 411211060 /nfs/dbraw/zinc/21/10/60/411211060.db2.gz HVDDOKXVRZOAJX-TUAOUCFPSA-N 3 2 227.352 0.163 20 0 BCADLP [NH3+]CC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349253 411211062 /nfs/dbraw/zinc/21/10/62/411211062.db2.gz HVDDOKXVRZOAJX-TUAOUCFPSA-N 3 2 227.352 0.163 20 0 BCADLP CO[C@](C)(CO)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000655786761 411234137 /nfs/dbraw/zinc/23/41/37/411234137.db2.gz SCMFHZZDTNRULR-RTXFEEFZSA-N 2 2 242.363 0.456 20 0 BCADLP CO[C@](C)(CO)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000655786761 411234140 /nfs/dbraw/zinc/23/41/40/411234140.db2.gz SCMFHZZDTNRULR-RTXFEEFZSA-N 2 2 242.363 0.456 20 0 BCADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@@H](C)O ZINC000049555749 411240788 /nfs/dbraw/zinc/24/07/88/411240788.db2.gz UIPATMXMVHCQPG-MNOVXSKESA-N 2 2 202.342 0.933 20 0 BCADLP CO[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000310542888 411241468 /nfs/dbraw/zinc/24/14/68/411241468.db2.gz RLSYKQAPQMGYRI-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP CO[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000310542888 411241469 /nfs/dbraw/zinc/24/14/69/411241469.db2.gz RLSYKQAPQMGYRI-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP CO[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000310542888 411241470 /nfs/dbraw/zinc/24/14/70/411241470.db2.gz RLSYKQAPQMGYRI-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP CO[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000310542888 411241471 /nfs/dbraw/zinc/24/14/71/411241471.db2.gz RLSYKQAPQMGYRI-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000583935225 411266230 /nfs/dbraw/zinc/26/62/30/411266230.db2.gz YBAVMKCPYCGZQT-VHSXEESVSA-N 2 2 235.335 0.585 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000583935225 411266232 /nfs/dbraw/zinc/26/62/32/411266232.db2.gz YBAVMKCPYCGZQT-VHSXEESVSA-N 2 2 235.335 0.585 20 0 BCADLP C[NH+](C)C[C@@H](O)CN[C@@H]1CCCn2cc[nH+]c21 ZINC000655712993 411267092 /nfs/dbraw/zinc/26/70/92/411267092.db2.gz SXQDJFFNIYDXHP-WDEREUQCSA-N 2 2 238.335 0.230 20 0 BCADLP C[NH+](C)C[C@@H](O)CN[C@H]1CCCn2cc[nH+]c21 ZINC000655712991 411267296 /nfs/dbraw/zinc/26/72/96/411267296.db2.gz SXQDJFFNIYDXHP-QWRGUYRKSA-N 2 2 238.335 0.230 20 0 BCADLP C[NH2+][C@H](C)c1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656459688 411269484 /nfs/dbraw/zinc/26/94/84/411269484.db2.gz XMVMRHGFBGDGMR-MRVPVSSYSA-N 2 2 233.275 0.435 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C[NH2+]C1CC1 ZINC000070645725 411271555 /nfs/dbraw/zinc/27/15/55/411271555.db2.gz NHHDBJGORPKRJV-UHFFFAOYSA-N 2 2 208.265 0.120 20 0 BCADLP CC(C)C[C@H]([NH3+])C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070645698 411271930 /nfs/dbraw/zinc/27/19/30/411271930.db2.gz FQEXMYLJGXKDRJ-VIFPVBQESA-N 2 2 224.308 0.742 20 0 BCADLP Cc1c(C[NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)cnn1C ZINC000401778177 411327968 /nfs/dbraw/zinc/32/79/68/411327968.db2.gz UOUNTLCCISFBLV-CABZTGNLSA-N 2 2 222.336 0.816 20 0 BCADLP Nc1ncc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)s1 ZINC000634733463 411283270 /nfs/dbraw/zinc/28/32/70/411283270.db2.gz GIXKMGMBFJURKU-KCJUWKMLSA-N 2 2 238.360 0.957 20 0 BCADLP Cn1cc(C[N@H+](C)C[C@@H]2CC[NH2+]C2)cn1 ZINC000051890035 411284759 /nfs/dbraw/zinc/28/47/59/411284759.db2.gz FLYCDZWIJYTPMZ-SNVBAGLBSA-N 2 2 208.309 0.461 20 0 BCADLP Cn1cc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)cn1 ZINC000051890035 411284761 /nfs/dbraw/zinc/28/47/61/411284761.db2.gz FLYCDZWIJYTPMZ-SNVBAGLBSA-N 2 2 208.309 0.461 20 0 BCADLP c1ccc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000051889317 411284990 /nfs/dbraw/zinc/28/49/90/411284990.db2.gz GSNLSDSIIUAZSE-CYBMUJFWSA-N 2 2 246.358 0.813 20 0 BCADLP CC(C)[NH2+]Cc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000656561331 411301141 /nfs/dbraw/zinc/30/11/41/411301141.db2.gz SANZWYIHUTXYHE-QMMMGPOBSA-N 2 2 210.281 0.992 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000658258353 411318347 /nfs/dbraw/zinc/31/83/47/411318347.db2.gz IRDYRLGXCLTELP-SCVCMEIPSA-N 2 2 237.347 0.337 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000658258353 411318348 /nfs/dbraw/zinc/31/83/48/411318348.db2.gz IRDYRLGXCLTELP-SCVCMEIPSA-N 2 2 237.347 0.337 20 0 BCADLP C[C@]1(C[NH+]2CCC(C)([NH3+])CC2)CC[NH2+]C1 ZINC000309801093 411252731 /nfs/dbraw/zinc/25/27/31/411252731.db2.gz REENICHRTOPTSJ-NSHDSACASA-N 3 2 211.353 0.799 20 0 BCADLP CCOC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000656701764 411326767 /nfs/dbraw/zinc/32/67/67/411326767.db2.gz BTPFOWHQMLEXJH-NEPJUHHUSA-N 2 2 244.379 0.846 20 0 BCADLP CCOC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000656701764 411326770 /nfs/dbraw/zinc/32/67/70/411326770.db2.gz BTPFOWHQMLEXJH-NEPJUHHUSA-N 2 2 244.379 0.846 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC(=O)N(C)CC1 ZINC000656792249 411372724 /nfs/dbraw/zinc/37/27/24/411372724.db2.gz PZPMHLUGTHXPKO-NSHDSACASA-N 2 2 227.352 0.524 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC(=O)N(C)CC1 ZINC000656792249 411372729 /nfs/dbraw/zinc/37/27/29/411372729.db2.gz PZPMHLUGTHXPKO-NSHDSACASA-N 2 2 227.352 0.524 20 0 BCADLP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@@H]2COCCO2)C1 ZINC000071200074 411373200 /nfs/dbraw/zinc/37/32/00/411373200.db2.gz WGILQNVIBQICBE-QWHCGFSZSA-N 2 2 242.363 0.864 20 0 BCADLP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@@H]2COCCO2)C1 ZINC000071200074 411373203 /nfs/dbraw/zinc/37/32/03/411373203.db2.gz WGILQNVIBQICBE-QWHCGFSZSA-N 2 2 242.363 0.864 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659005469 411366584 /nfs/dbraw/zinc/36/65/84/411366584.db2.gz NCQGSJFQASZEHE-UHFFFAOYSA-N 2 2 246.314 0.685 20 0 BCADLP c1ncn(-c2ccccc2C[NH2+][C@H]2CC[NH2+]C2)n1 ZINC000656787947 411367331 /nfs/dbraw/zinc/36/73/31/411367331.db2.gz FJCUQDYDYHKDPZ-LBPRGKRZSA-N 2 2 243.314 0.719 20 0 BCADLP c1[nH+]c2ccccn2c1CN[C@H]1CC[NH2+]C1 ZINC000656787948 411367510 /nfs/dbraw/zinc/36/75/10/411367510.db2.gz GKSRLBYGEPABHD-JTQLQIEISA-N 2 2 216.288 0.786 20 0 BCADLP c1ncn(-c2ccc(C[NH2+][C@H]3CC[NH2+]C3)cc2)n1 ZINC000656787956 411367770 /nfs/dbraw/zinc/36/77/70/411367770.db2.gz PBCYIGMHLSSXGS-LBPRGKRZSA-N 2 2 243.314 0.719 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC(CCOC)C1 ZINC000656703406 411339684 /nfs/dbraw/zinc/33/96/84/411339684.db2.gz RZCUNOVQDICJII-LBPRGKRZSA-N 2 2 230.352 0.267 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC(CCOC)C1 ZINC000656703406 411339689 /nfs/dbraw/zinc/33/96/89/411339689.db2.gz RZCUNOVQDICJII-LBPRGKRZSA-N 2 2 230.352 0.267 20 0 BCADLP c1[nH]c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c[nH+]1 ZINC000662029543 411347987 /nfs/dbraw/zinc/34/79/87/411347987.db2.gz AVVDNTOWHXXORD-ZJUUUORDSA-N 2 2 207.277 0.878 20 0 BCADLP c1[nH]c(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c[nH+]1 ZINC000662029543 411347991 /nfs/dbraw/zinc/34/79/91/411347991.db2.gz AVVDNTOWHXXORD-ZJUUUORDSA-N 2 2 207.277 0.878 20 0 BCADLP c1[nH]c(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c[nH+]1 ZINC000662029540 411348714 /nfs/dbraw/zinc/34/87/14/411348714.db2.gz AVVDNTOWHXXORD-NXEZZACHSA-N 2 2 207.277 0.878 20 0 BCADLP c1[nH]c(C[N@H+]2CC[C@@H]3COC[C@H]3C2)c[nH+]1 ZINC000662029540 411348717 /nfs/dbraw/zinc/34/87/17/411348717.db2.gz AVVDNTOWHXXORD-NXEZZACHSA-N 2 2 207.277 0.878 20 0 BCADLP CC1=CC[N@H+](CC[NH2+][C@H](C)CC(N)=O)CC1 ZINC000309558563 168112408 /nfs/dbraw/zinc/11/24/08/168112408.db2.gz KHXYMEIQYUCTJW-LLVKDONJSA-N 2 2 225.336 0.492 20 0 BCADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)CC(N)=O)CC1 ZINC000309558563 168112410 /nfs/dbraw/zinc/11/24/10/168112410.db2.gz KHXYMEIQYUCTJW-LLVKDONJSA-N 2 2 225.336 0.492 20 0 BCADLP CC1(C)C[NH+](CC(=O)NCC[NH+]2CCCC2)C1 ZINC000654407560 411390636 /nfs/dbraw/zinc/39/06/36/411390636.db2.gz MQUIATQMQOFWRR-UHFFFAOYSA-N 2 2 239.363 0.540 20 0 BCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575729 168289289 /nfs/dbraw/zinc/28/92/89/168289289.db2.gz ZMTUBOHZHWSNKI-PHIMTYICSA-N 2 2 239.363 0.442 20 0 BCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575729 168289290 /nfs/dbraw/zinc/28/92/90/168289290.db2.gz ZMTUBOHZHWSNKI-PHIMTYICSA-N 2 2 239.363 0.442 20 0 BCADLP CCC(C)(C)NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342143977 168289701 /nfs/dbraw/zinc/28/97/01/168289701.db2.gz WGXOXHUICPKOOC-UHFFFAOYSA-N 2 2 227.352 0.762 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000309450094 411396747 /nfs/dbraw/zinc/39/67/47/411396747.db2.gz MIMPBAJZKOJTRJ-ZJUUUORDSA-N 2 2 208.309 0.936 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000309450094 411396749 /nfs/dbraw/zinc/39/67/49/411396749.db2.gz MIMPBAJZKOJTRJ-ZJUUUORDSA-N 2 2 208.309 0.936 20 0 BCADLP C[C@@H](CC(=O)N[C@H]1CCC[NH2+]C1)n1cc[nH+]c1 ZINC000653044622 411402925 /nfs/dbraw/zinc/40/29/25/411402925.db2.gz SBORXZSJXDMFTC-QWRGUYRKSA-N 2 2 236.319 0.702 20 0 BCADLP C[C@H](CC(=O)NCC[NH2+]C1CC1)n1cc[nH+]c1 ZINC000653048627 411403838 /nfs/dbraw/zinc/40/38/38/411403838.db2.gz NEGBMKYSZARYLD-SNVBAGLBSA-N 2 2 236.319 0.702 20 0 BCADLP Nc1ccc(NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)c[nH+]1 ZINC000653048690 411404886 /nfs/dbraw/zinc/40/48/86/411404886.db2.gz SNRSROZKXAVKHY-MNOVXSKESA-N 2 2 246.314 0.963 20 0 BCADLP Nc1ccc(NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)c[nH+]1 ZINC000653048691 411405155 /nfs/dbraw/zinc/40/51/55/411405155.db2.gz SNRSROZKXAVKHY-QWRGUYRKSA-N 2 2 246.314 0.963 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCCCC1 ZINC000653056043 411406741 /nfs/dbraw/zinc/40/67/41/411406741.db2.gz RYZWUCNKKPRBTR-LLVKDONJSA-N 2 2 227.352 0.668 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCc1ccccc1 ZINC000653056186 411407384 /nfs/dbraw/zinc/40/73/84/411407384.db2.gz XSIRMGMNRAQKBW-CYBMUJFWSA-N 2 2 249.358 0.624 20 0 BCADLP CCCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653056661 411407712 /nfs/dbraw/zinc/40/77/12/411407712.db2.gz SYLBRAQFOQTWPO-SECBINFHSA-N 2 2 201.314 0.182 20 0 BCADLP CCN(CC)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653056380 411407802 /nfs/dbraw/zinc/40/78/02/411407802.db2.gz CJKOGYPNFJNTFC-VIFPVBQESA-N 2 2 201.314 0.134 20 0 BCADLP CCC(CC)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653057164 411408207 /nfs/dbraw/zinc/40/82/07/411408207.db2.gz RKYKEYFYXYKRSZ-SNVBAGLBSA-N 2 2 215.341 0.570 20 0 BCADLP CC(C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653057119 411408577 /nfs/dbraw/zinc/40/85/77/411408577.db2.gz PIUKWEOSPRDGTG-SECBINFHSA-N 2 2 201.314 0.038 20 0 BCADLP CCCN(CC)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653065177 411409812 /nfs/dbraw/zinc/40/98/12/411409812.db2.gz XAZIJGIUEWGHFN-JTQLQIEISA-N 2 2 215.341 0.524 20 0 BCADLP CC(C)[C@H]1CCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653069442 411411461 /nfs/dbraw/zinc/41/14/61/411411461.db2.gz NOTOWDPEDVJKJH-VXGBXAGGSA-N 2 2 241.379 0.912 20 0 BCADLP CC(C)CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000653071297 411412180 /nfs/dbraw/zinc/41/21/80/411412180.db2.gz BMWSARMDLLLXPN-GFCCVEGCSA-N 2 2 241.379 0.912 20 0 BCADLP C[C@@H]1C[C@H]1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653070337 411412563 /nfs/dbraw/zinc/41/25/63/411412563.db2.gz RYAXFOPPVBPJJY-UTLUCORTSA-N 2 2 213.325 0.038 20 0 BCADLP CC[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653073295 411413060 /nfs/dbraw/zinc/41/30/60/411413060.db2.gz YOQPPAUUYLQDEC-VXGBXAGGSA-N 2 2 241.379 0.914 20 0 BCADLP CC(C)N(CC1CC1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653072891 411413586 /nfs/dbraw/zinc/41/35/86/411413586.db2.gz JENSJBMCHMLMGE-LBPRGKRZSA-N 2 2 241.379 0.912 20 0 BCADLP C[C@H](CC[NH3+])NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000659531178 411430504 /nfs/dbraw/zinc/43/05/04/411430504.db2.gz YFMRAPMNHNODBV-RKDXNWHRSA-N 2 2 239.323 0.518 20 0 BCADLP C[NH2+]CCCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000659505390 411463004 /nfs/dbraw/zinc/46/30/04/411463004.db2.gz WDGTUQILCGATSQ-SECBINFHSA-N 2 2 239.323 0.390 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659547864 411433759 /nfs/dbraw/zinc/43/37/59/411433759.db2.gz FIWXFBLWNNVPMB-VGMNWLOBSA-N 2 2 239.323 0.516 20 0 BCADLP CCO[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1C[NH3+] ZINC000405701095 411438493 /nfs/dbraw/zinc/43/84/93/411438493.db2.gz QAOURENFQICKHV-MWLCHTKSSA-N 2 2 241.360 0.939 20 0 BCADLP CCO[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1C[NH3+] ZINC000405701095 411438497 /nfs/dbraw/zinc/43/84/97/411438497.db2.gz QAOURENFQICKHV-MWLCHTKSSA-N 2 2 241.360 0.939 20 0 BCADLP C[N@H+](CCC[NH3+])Cc1nc(-c2ccccn2)no1 ZINC000123293602 411440484 /nfs/dbraw/zinc/44/04/84/411440484.db2.gz WKIFTAHJRUDTRJ-UHFFFAOYSA-N 2 2 247.302 0.912 20 0 BCADLP C[N@@H+](CCC[NH3+])Cc1nc(-c2ccccn2)no1 ZINC000123293602 411440485 /nfs/dbraw/zinc/44/04/85/411440485.db2.gz WKIFTAHJRUDTRJ-UHFFFAOYSA-N 2 2 247.302 0.912 20 0 BCADLP Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000120767002 411441785 /nfs/dbraw/zinc/44/17/85/411441785.db2.gz XDCXAJUEPPEEGB-CYBMUJFWSA-N 2 2 247.342 0.710 20 0 BCADLP Cc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000120767002 411441788 /nfs/dbraw/zinc/44/17/88/411441788.db2.gz XDCXAJUEPPEEGB-CYBMUJFWSA-N 2 2 247.342 0.710 20 0 BCADLP C[NH2+]C[C@H](C)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000659626889 411444012 /nfs/dbraw/zinc/44/40/12/411444012.db2.gz DUUSPGKKSFZTSB-DTWKUNHWSA-N 2 2 239.323 0.388 20 0 BCADLP O=C(NCC[NH2+]Cc1c[nH+]c2n1CCC2)C1CC1 ZINC000657290524 411452097 /nfs/dbraw/zinc/45/20/97/411452097.db2.gz QKLOPQMXRMCKHB-UHFFFAOYSA-N 2 2 248.330 0.445 20 0 BCADLP Cc1ncccc1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313356159 411452751 /nfs/dbraw/zinc/45/27/51/411452751.db2.gz ROTMZQHSYGDKSV-ZDUSSCGKSA-N 2 2 235.331 0.940 20 0 BCADLP Cc1ncccc1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313356159 411452755 /nfs/dbraw/zinc/45/27/55/411452755.db2.gz ROTMZQHSYGDKSV-ZDUSSCGKSA-N 2 2 235.331 0.940 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657336364 411471491 /nfs/dbraw/zinc/47/14/91/411471491.db2.gz QVCJLIFXQUKTJO-SNVBAGLBSA-N 2 2 246.318 0.599 20 0 BCADLP O=C1NCCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657338110 411473155 /nfs/dbraw/zinc/47/31/55/411473155.db2.gz QCCLDQMUYQCYOH-JTQLQIEISA-N 2 2 234.303 0.198 20 0 BCADLP CC[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)CO1 ZINC000657354851 411474127 /nfs/dbraw/zinc/47/41/27/411474127.db2.gz WQNDLXGGSBHCRU-GARJFASQSA-N 2 2 216.325 0.066 20 0 BCADLP C[C@H](O)CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657361408 411478593 /nfs/dbraw/zinc/47/85/93/411478593.db2.gz CVPFHBSOFNYIIT-VIFPVBQESA-N 2 2 209.293 0.690 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@H](O)C2CC2)n1C ZINC000657366734 411478950 /nfs/dbraw/zinc/47/89/50/411478950.db2.gz LDDBGLHWWDYVRZ-NSHDSACASA-N 2 2 209.293 0.589 20 0 BCADLP COC[C@](C)(O)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000657372419 411484582 /nfs/dbraw/zinc/48/45/82/411484582.db2.gz SCRQOGULMJEWAM-LLVKDONJSA-N 2 2 227.308 0.216 20 0 BCADLP COC[C@@](C)(O)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000657372420 411485211 /nfs/dbraw/zinc/48/52/11/411485211.db2.gz SCRQOGULMJEWAM-NSHDSACASA-N 2 2 227.308 0.216 20 0 BCADLP C[C@H](CO)[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657372800 411485593 /nfs/dbraw/zinc/48/55/93/411485593.db2.gz XDXJXBHXLHPXIL-ZJUUUORDSA-N 2 2 223.320 0.936 20 0 BCADLP OCC1([NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657415290 411499702 /nfs/dbraw/zinc/49/97/02/411499702.db2.gz IEXCJKYEPICMDE-UHFFFAOYSA-N 2 2 207.277 0.444 20 0 BCADLP c1[nH+]c2n(c1C[NH2+]CCN1CCC1)CCC2 ZINC000657416455 411500458 /nfs/dbraw/zinc/50/04/58/411500458.db2.gz SBVYLEFRDKGJID-UHFFFAOYSA-N 2 2 220.320 0.625 20 0 BCADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CCOC1)CCC2 ZINC000657416961 411500671 /nfs/dbraw/zinc/50/06/71/411500671.db2.gz YJTPXXGELVDEQE-SECBINFHSA-N 2 2 207.277 0.708 20 0 BCADLP COC[C@H](O)CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657421691 411502693 /nfs/dbraw/zinc/50/26/93/411502693.db2.gz ILPXPBSCAIKHJE-LLVKDONJSA-N 2 2 239.319 0.316 20 0 BCADLP C[C@@H](NC(=O)NC[C@H](C)[NH3+])c1[nH+]ccn1C ZINC000659537490 411503158 /nfs/dbraw/zinc/50/31/58/411503158.db2.gz LLSPKJJZKUQQJN-JGVFFNPUSA-N 2 2 225.296 0.128 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CC2(CO)CCC2)n1C ZINC000657432549 411505685 /nfs/dbraw/zinc/50/56/85/411505685.db2.gz HBEPQVHWFDXROB-UHFFFAOYSA-N 2 2 223.320 0.981 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CC[C@H](O)C2)n1C ZINC000657445812 411512703 /nfs/dbraw/zinc/51/27/03/411512703.db2.gz LBYHDNOHAWNZDB-JQWIXIFHSA-N 2 2 223.320 0.979 20 0 BCADLP NC(=O)CC1(C[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657494726 411534743 /nfs/dbraw/zinc/53/47/43/411534743.db2.gz RQJOXNRSYQBZRP-UHFFFAOYSA-N 2 2 248.330 0.575 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCCC(=O)N2)n1C ZINC000657453153 411514770 /nfs/dbraw/zinc/51/47/70/411514770.db2.gz WHRJAPVCOHHXDF-JTQLQIEISA-N 2 2 236.319 0.487 20 0 BCADLP CC[C@@H]([NH3+])CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659547154 411517351 /nfs/dbraw/zinc/51/73/51/411517351.db2.gz BKLFDRBKCILYHW-DTWKUNHWSA-N 2 2 239.323 0.518 20 0 BCADLP CC[C@H]([NH3+])CNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000659547153 411517357 /nfs/dbraw/zinc/51/73/57/411517357.db2.gz BKLFDRBKCILYHW-BDAKNGLRSA-N 2 2 239.323 0.518 20 0 BCADLP C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657459117 411517532 /nfs/dbraw/zinc/51/75/32/411517532.db2.gz UEBOKGSHBZYTID-JOYOIKCWSA-N 2 2 248.330 0.444 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806243 411520492 /nfs/dbraw/zinc/52/04/92/411520492.db2.gz SIBDIQIARPEBPU-RVMXOQNASA-N 3 2 225.380 0.866 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806243 411520494 /nfs/dbraw/zinc/52/04/94/411520494.db2.gz SIBDIQIARPEBPU-RVMXOQNASA-N 3 2 225.380 0.866 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000655829617 411530490 /nfs/dbraw/zinc/53/04/90/411530490.db2.gz NURAJSNHKBDCHS-SCVCMEIPSA-N 2 2 249.362 0.212 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000655829617 411530491 /nfs/dbraw/zinc/53/04/91/411530491.db2.gz NURAJSNHKBDCHS-SCVCMEIPSA-N 2 2 249.362 0.212 20 0 BCADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)C(=O)NC ZINC000657486930 411530830 /nfs/dbraw/zinc/53/08/30/411530830.db2.gz MCSJFHLNPQIXQB-SNVBAGLBSA-N 2 2 236.319 0.444 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCN(C)C2)n1C ZINC000657326462 411465882 /nfs/dbraw/zinc/46/58/82/411465882.db2.gz UGUQKGRVBLPTJA-NSHDSACASA-N 2 2 222.336 0.912 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH+](C)CCC[NH3+])[C@H](C)C1 ZINC000336741141 170018691 /nfs/dbraw/zinc/01/86/91/170018691.db2.gz MYNRJZUWDGZZLX-NEPJUHHUSA-N 3 2 213.369 0.997 20 0 BCADLP CC[N@H+]1CC[C@H]([NH+](C)CCC[NH3+])[C@H](C)C1 ZINC000336741141 170018692 /nfs/dbraw/zinc/01/86/92/170018692.db2.gz MYNRJZUWDGZZLX-NEPJUHHUSA-N 3 2 213.369 0.997 20 0 BCADLP CC[NH+]1CC[C@H]([N@H+](C)CCC[NH3+])[C@H](C)C1 ZINC000336741141 170018694 /nfs/dbraw/zinc/01/86/94/170018694.db2.gz MYNRJZUWDGZZLX-NEPJUHHUSA-N 3 2 213.369 0.997 20 0 BCADLP CC[NH+]1CC[C@H]([N@@H+](C)CCC[NH3+])[C@H](C)C1 ZINC000336741141 170018695 /nfs/dbraw/zinc/01/86/95/170018695.db2.gz MYNRJZUWDGZZLX-NEPJUHHUSA-N 3 2 213.369 0.997 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC000336886084 170020572 /nfs/dbraw/zinc/02/05/72/170020572.db2.gz BLUAPQRHQCZAGJ-ZDUSSCGKSA-N 2 2 247.342 0.969 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC000336886084 170020574 /nfs/dbraw/zinc/02/05/74/170020574.db2.gz BLUAPQRHQCZAGJ-ZDUSSCGKSA-N 2 2 247.342 0.969 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@H](C)C1 ZINC000305130881 170021481 /nfs/dbraw/zinc/02/14/81/170021481.db2.gz MZNYLUSXAQBZNU-UPJWGTAASA-N 3 2 243.395 0.229 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@H](C)C1 ZINC000305130881 170021483 /nfs/dbraw/zinc/02/14/83/170021483.db2.gz MZNYLUSXAQBZNU-UPJWGTAASA-N 3 2 243.395 0.229 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCc2nc(C)n[nH]2)C1 ZINC000355669793 170031381 /nfs/dbraw/zinc/03/13/81/170031381.db2.gz HTJWQPBVFFLUMK-MWLCHTKSSA-N 2 2 237.351 0.585 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCc2nc(C)n[nH]2)C1 ZINC000355669793 170031383 /nfs/dbraw/zinc/03/13/83/170031383.db2.gz HTJWQPBVFFLUMK-MWLCHTKSSA-N 2 2 237.351 0.585 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2(C)COC2)C1 ZINC000309044347 170031417 /nfs/dbraw/zinc/03/14/17/170031417.db2.gz NJOOPGKIUZFYAB-GHMZBOCLSA-N 2 2 212.337 0.953 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2(C)COC2)C1 ZINC000309044347 170031418 /nfs/dbraw/zinc/03/14/18/170031418.db2.gz NJOOPGKIUZFYAB-GHMZBOCLSA-N 2 2 212.337 0.953 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCc2ncn(C)n2)C1 ZINC000358393796 170032023 /nfs/dbraw/zinc/03/20/23/170032023.db2.gz ZXPKWPVYLFSHPD-GHMZBOCLSA-N 2 2 237.351 0.287 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCc2ncn(C)n2)C1 ZINC000358393796 170032025 /nfs/dbraw/zinc/03/20/25/170032025.db2.gz ZXPKWPVYLFSHPD-GHMZBOCLSA-N 2 2 237.351 0.287 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCNC(=O)C(C)C)C1 ZINC000358141501 170032189 /nfs/dbraw/zinc/03/21/89/170032189.db2.gz YSHNRMHOUPXFSV-VXGBXAGGSA-N 2 2 241.379 0.688 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCNC(=O)C(C)C)C1 ZINC000358141501 170032190 /nfs/dbraw/zinc/03/21/90/170032190.db2.gz YSHNRMHOUPXFSV-VXGBXAGGSA-N 2 2 241.379 0.688 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CCCCO)[C@@H](C)C1 ZINC000336669165 170035421 /nfs/dbraw/zinc/03/54/21/170035421.db2.gz XGSBUMAYMBNEFI-QWRGUYRKSA-N 2 2 200.326 0.689 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CC[C@@H](C)O)[C@@H](C)C1 ZINC000308537447 170035486 /nfs/dbraw/zinc/03/54/86/170035486.db2.gz SXEVONCYGYLIAU-AXFHLTTASA-N 2 2 200.326 0.687 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CC[C@@H](CO)O2)C1 ZINC000340413874 170038204 /nfs/dbraw/zinc/03/82/04/170038204.db2.gz FDWBNJMVHBFZQO-ZDEQEGDKSA-N 2 2 242.363 0.456 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CC[C@@H](CO)O2)C1 ZINC000340413874 170038205 /nfs/dbraw/zinc/03/82/05/170038205.db2.gz FDWBNJMVHBFZQO-ZDEQEGDKSA-N 2 2 242.363 0.456 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCN2CCC2)C1 ZINC000309026438 170038381 /nfs/dbraw/zinc/03/83/81/170038381.db2.gz AVSASNDOYQXZNG-NWDGAFQWSA-N 2 2 211.353 0.622 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCN2CCC2)C1 ZINC000309026438 170038382 /nfs/dbraw/zinc/03/83/82/170038382.db2.gz AVSASNDOYQXZNG-NWDGAFQWSA-N 2 2 211.353 0.622 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](C)OC)C1 ZINC000308504190 170038587 /nfs/dbraw/zinc/03/85/87/170038587.db2.gz IAJGLAJPALTLGD-GARJFASQSA-N 2 2 200.326 0.951 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](C)OC)C1 ZINC000308504190 170038588 /nfs/dbraw/zinc/03/85/88/170038588.db2.gz IAJGLAJPALTLGD-GARJFASQSA-N 2 2 200.326 0.951 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC[C@H](C)O)C1 ZINC000336662177 170038691 /nfs/dbraw/zinc/03/86/91/170038691.db2.gz SXEVONCYGYLIAU-GARJFASQSA-N 2 2 200.326 0.687 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC[C@H](C)O)C1 ZINC000336662177 170038692 /nfs/dbraw/zinc/03/86/92/170038692.db2.gz SXEVONCYGYLIAU-GARJFASQSA-N 2 2 200.326 0.687 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](C)CO)C1 ZINC000336669341 170038735 /nfs/dbraw/zinc/03/87/35/170038735.db2.gz XRCUVPHCXYVFII-GARJFASQSA-N 2 2 200.326 0.545 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](C)CO)C1 ZINC000336669341 170038736 /nfs/dbraw/zinc/03/87/36/170038736.db2.gz XRCUVPHCXYVFII-GARJFASQSA-N 2 2 200.326 0.545 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](O)C(C)C)C1 ZINC000336758394 170038828 /nfs/dbraw/zinc/03/88/28/170038828.db2.gz JTKFEROCVBVBFO-TUAOUCFPSA-N 2 2 214.353 0.933 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](O)C(C)C)C1 ZINC000336758394 170038830 /nfs/dbraw/zinc/03/88/30/170038830.db2.gz JTKFEROCVBVBFO-TUAOUCFPSA-N 2 2 214.353 0.933 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC[C@@H](O)COC)C1 ZINC000309645105 170038837 /nfs/dbraw/zinc/03/88/37/170038837.db2.gz LZXIPAGUTOIFTJ-QJPTWQEYSA-N 2 2 230.352 0.314 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC[C@@H](O)COC)C1 ZINC000309645105 170038839 /nfs/dbraw/zinc/03/88/39/170038839.db2.gz LZXIPAGUTOIFTJ-QJPTWQEYSA-N 2 2 230.352 0.314 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@]2(O)CCSC2)C1 ZINC000309900885 170039001 /nfs/dbraw/zinc/03/90/01/170039001.db2.gz HPAYVWNJNUVBQJ-QJPTWQEYSA-N 2 2 244.404 0.784 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@]2(O)CCSC2)C1 ZINC000309900885 170039003 /nfs/dbraw/zinc/03/90/03/170039003.db2.gz HPAYVWNJNUVBQJ-QJPTWQEYSA-N 2 2 244.404 0.784 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CC[C@H](CO)O2)C1 ZINC000340413873 170039141 /nfs/dbraw/zinc/03/91/41/170039141.db2.gz FDWBNJMVHBFZQO-WUHRBBMRSA-N 2 2 242.363 0.456 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CC[C@H](CO)O2)C1 ZINC000340413873 170039143 /nfs/dbraw/zinc/03/91/43/170039143.db2.gz FDWBNJMVHBFZQO-WUHRBBMRSA-N 2 2 242.363 0.456 20 0 BCADLP CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918054 170059908 /nfs/dbraw/zinc/05/99/08/170059908.db2.gz YGAVDPHPOGLOPH-RYUDHWBXSA-N 2 2 239.363 0.587 20 0 BCADLP CCNC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918054 170059910 /nfs/dbraw/zinc/05/99/10/170059910.db2.gz YGAVDPHPOGLOPH-RYUDHWBXSA-N 2 2 239.363 0.587 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000660142776 411544515 /nfs/dbraw/zinc/54/45/15/411544515.db2.gz JRDLFKSPGKGVFE-NSHDSACASA-N 2 2 238.335 0.297 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000660142776 411544517 /nfs/dbraw/zinc/54/45/17/411544517.db2.gz JRDLFKSPGKGVFE-NSHDSACASA-N 2 2 238.335 0.297 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849719 411537667 /nfs/dbraw/zinc/53/76/67/411537667.db2.gz PPSVUWXJXLCTRI-GRYCIOLGSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849719 411537669 /nfs/dbraw/zinc/53/76/69/411537669.db2.gz PPSVUWXJXLCTRI-GRYCIOLGSA-N 2 2 239.363 0.857 20 0 BCADLP CCOC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000069721234 170218575 /nfs/dbraw/zinc/21/85/75/170218575.db2.gz ZNHFUHOTWDOCQR-SNVBAGLBSA-N 2 2 214.309 0.753 20 0 BCADLP CCOC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000069721234 170218576 /nfs/dbraw/zinc/21/85/76/170218576.db2.gz ZNHFUHOTWDOCQR-SNVBAGLBSA-N 2 2 214.309 0.753 20 0 BCADLP CCOC(=O)[C@@H](CC)[NH+]1CCC([NH3+])CC1 ZINC000082759317 170249670 /nfs/dbraw/zinc/24/96/70/170249670.db2.gz NBANMKBHLVHCOB-SNVBAGLBSA-N 2 2 214.309 0.751 20 0 BCADLP CCOC(=O)[C@@H](CC)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000082759329 170250482 /nfs/dbraw/zinc/25/04/82/170250482.db2.gz JQWLLWRXPVCEOR-GHMZBOCLSA-N 2 2 228.336 0.999 20 0 BCADLP CCOC(=O)[C@@H](CC)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000082759329 170250483 /nfs/dbraw/zinc/25/04/83/170250483.db2.gz JQWLLWRXPVCEOR-GHMZBOCLSA-N 2 2 228.336 0.999 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]C/C=C/CO)n1C ZINC000657594382 411560001 /nfs/dbraw/zinc/56/00/01/411560001.db2.gz QADHSMCHQDDQIA-SNAWJCMRSA-N 2 2 224.308 0.124 20 0 BCADLP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000227082646 170271443 /nfs/dbraw/zinc/27/14/43/170271443.db2.gz RITJZYSOXTZPGD-QWRGUYRKSA-N 2 2 228.336 0.869 20 0 BCADLP CCOC(=O)[C@H](CC)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000227082646 170271445 /nfs/dbraw/zinc/27/14/45/170271445.db2.gz RITJZYSOXTZPGD-QWRGUYRKSA-N 2 2 228.336 0.869 20 0 BCADLP CCOC(=O)[C@H](CC)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000082759328 170271644 /nfs/dbraw/zinc/27/16/44/170271644.db2.gz JQWLLWRXPVCEOR-MNOVXSKESA-N 2 2 228.336 0.999 20 0 BCADLP CCOC(=O)[C@H](CC)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000082759328 170271645 /nfs/dbraw/zinc/27/16/45/170271645.db2.gz JQWLLWRXPVCEOR-MNOVXSKESA-N 2 2 228.336 0.999 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H](C)C2(CO)CC2)n1C ZINC000657607860 411561683 /nfs/dbraw/zinc/56/16/83/411561683.db2.gz NJSXMLAWEJJVBS-VIFPVBQESA-N 2 2 223.320 0.979 20 0 BCADLP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CCOC)C2)C1 ZINC000657609863 411562413 /nfs/dbraw/zinc/56/24/13/411562413.db2.gz KLWVTZMEPKAZAJ-AVGNSLFASA-N 2 2 242.363 0.864 20 0 BCADLP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CCOC)C2)C1 ZINC000657609863 411562414 /nfs/dbraw/zinc/56/24/14/411562414.db2.gz KLWVTZMEPKAZAJ-AVGNSLFASA-N 2 2 242.363 0.864 20 0 BCADLP CCOCCC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336646894 170382421 /nfs/dbraw/zinc/38/24/21/170382421.db2.gz DILVSPICPKGJDC-GHMZBOCLSA-N 2 2 200.326 0.953 20 0 BCADLP CCOCCC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336646894 170382422 /nfs/dbraw/zinc/38/24/22/170382422.db2.gz DILVSPICPKGJDC-GHMZBOCLSA-N 2 2 200.326 0.953 20 0 BCADLP CC[C@@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000657643596 411569883 /nfs/dbraw/zinc/56/98/83/411569883.db2.gz URKXJJFFWNAMCK-HOSYDEDBSA-N 2 2 212.337 0.972 20 0 BCADLP CC[C@@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000657643596 411569884 /nfs/dbraw/zinc/56/98/84/411569884.db2.gz URKXJJFFWNAMCK-HOSYDEDBSA-N 2 2 212.337 0.972 20 0 BCADLP CCOCC[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309396043 170389481 /nfs/dbraw/zinc/38/94/81/170389481.db2.gz IKEBORWBDNJJEG-GFCCVEGCSA-N 2 2 230.352 0.410 20 0 BCADLP CCOCC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309396043 170389482 /nfs/dbraw/zinc/38/94/82/170389482.db2.gz IKEBORWBDNJJEG-GFCCVEGCSA-N 2 2 230.352 0.410 20 0 BCADLP CCOCC[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309396043 170389483 /nfs/dbraw/zinc/38/94/83/170389483.db2.gz IKEBORWBDNJJEG-GFCCVEGCSA-N 2 2 230.352 0.410 20 0 BCADLP CCOCC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309396043 170389485 /nfs/dbraw/zinc/38/94/85/170389485.db2.gz IKEBORWBDNJJEG-GFCCVEGCSA-N 2 2 230.352 0.410 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)CCOCC)C1 ZINC000663367038 411638644 /nfs/dbraw/zinc/63/86/44/411638644.db2.gz ZPVFVPHZTKJNIY-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)CCOCC)C1 ZINC000663367038 411638645 /nfs/dbraw/zinc/63/86/45/411638645.db2.gz ZPVFVPHZTKJNIY-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H](CO)CC1CC1 ZINC000657700210 411582550 /nfs/dbraw/zinc/58/25/50/411582550.db2.gz MSYNQMHEPQEQPU-RAIGVLPGSA-N 2 2 226.364 0.935 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H](CO)CC1CC1 ZINC000657700210 411582551 /nfs/dbraw/zinc/58/25/51/411582551.db2.gz MSYNQMHEPQEQPU-RAIGVLPGSA-N 2 2 226.364 0.935 20 0 BCADLP CC[N@H+](CC[NH2+][C@@H]1CCCNC(=O)C1)C1CC1 ZINC000217945143 411585479 /nfs/dbraw/zinc/58/54/79/411585479.db2.gz MBTXXVUUWAFIKE-LLVKDONJSA-N 2 2 239.363 0.729 20 0 BCADLP CC[N@@H+](CC[NH2+][C@@H]1CCCNC(=O)C1)C1CC1 ZINC000217945143 411585480 /nfs/dbraw/zinc/58/54/80/411585480.db2.gz MBTXXVUUWAFIKE-LLVKDONJSA-N 2 2 239.363 0.729 20 0 BCADLP CCNC(=O)CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660578132 411602847 /nfs/dbraw/zinc/60/28/47/411602847.db2.gz KCKANFTZRQZUPQ-UHFFFAOYSA-N 2 2 222.292 0.225 20 0 BCADLP CCNC(=O)CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000660578132 411602848 /nfs/dbraw/zinc/60/28/48/411602848.db2.gz KCKANFTZRQZUPQ-UHFFFAOYSA-N 2 2 222.292 0.225 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+]CCn1cc[nH+]c1 ZINC000657821559 411607046 /nfs/dbraw/zinc/60/70/46/411607046.db2.gz QUEWGQJEOVPUJR-JTQLQIEISA-N 2 2 220.280 0.153 20 0 BCADLP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000657874827 411615204 /nfs/dbraw/zinc/61/52/04/411615204.db2.gz BGICNJPKFIFGBZ-MNOVXSKESA-N 2 2 228.336 0.210 20 0 BCADLP Cc1cc(NC[C@H]2COCC[N@H+]2C)nc(C)[nH+]1 ZINC000624618640 411652567 /nfs/dbraw/zinc/65/25/67/411652567.db2.gz HQVQRGSRVDHJIP-NSHDSACASA-N 2 2 236.319 0.836 20 0 BCADLP Cc1cc(NC[C@H]2COCC[N@@H+]2C)nc(C)[nH+]1 ZINC000624618640 411652573 /nfs/dbraw/zinc/65/25/73/411652573.db2.gz HQVQRGSRVDHJIP-NSHDSACASA-N 2 2 236.319 0.836 20 0 BCADLP CC1CCN(C(=O)C[N@H+](C)CCC[NH3+])CC1 ZINC000133206396 411656511 /nfs/dbraw/zinc/65/65/11/411656511.db2.gz BJKYOVBMOUTOQK-UHFFFAOYSA-N 2 2 227.352 0.526 20 0 BCADLP CC1CCN(C(=O)C[N@@H+](C)CCC[NH3+])CC1 ZINC000133206396 411656517 /nfs/dbraw/zinc/65/65/17/411656517.db2.gz BJKYOVBMOUTOQK-UHFFFAOYSA-N 2 2 227.352 0.526 20 0 BCADLP CC(C)C[C@H](C[NH3+])[NH2+]C[C@]12C[C@H]1C[NH2+]C2 ZINC000663495539 411669172 /nfs/dbraw/zinc/66/91/72/411669172.db2.gz YSVYXCYIOHDHLG-QJPTWQEYSA-N 3 2 211.353 0.559 20 0 BCADLP C([N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663493062 411671767 /nfs/dbraw/zinc/67/17/67/411671767.db2.gz FGZUUDNOGLUZTJ-LPWJVIDDSA-N 3 2 221.348 0.280 20 0 BCADLP C([N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663493062 411671769 /nfs/dbraw/zinc/67/17/69/411671769.db2.gz FGZUUDNOGLUZTJ-LPWJVIDDSA-N 3 2 221.348 0.280 20 0 BCADLP C[N@H+](CC(C)(C)C[NH3+])C[C@]12C[C@H]1C[NH2+]C2 ZINC000663494010 411673726 /nfs/dbraw/zinc/67/37/26/411673726.db2.gz GQLYJCFMIGOYFQ-CMPLNLGQSA-N 3 2 211.353 0.513 20 0 BCADLP C[N@@H+](CC(C)(C)C[NH3+])C[C@]12C[C@H]1C[NH2+]C2 ZINC000663494010 411673728 /nfs/dbraw/zinc/67/37/28/411673728.db2.gz GQLYJCFMIGOYFQ-CMPLNLGQSA-N 3 2 211.353 0.513 20 0 BCADLP C[C@@H]1CC[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C[C@@H]1C[NH3+] ZINC000663495876 411677462 /nfs/dbraw/zinc/67/74/62/411677462.db2.gz BGMHFRIWCMIIIK-XQHKEYJVSA-N 3 2 223.364 0.513 20 0 BCADLP C[C@@H]1CC[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C[C@@H]1C[NH3+] ZINC000663495876 411677464 /nfs/dbraw/zinc/67/74/64/411677464.db2.gz BGMHFRIWCMIIIK-XQHKEYJVSA-N 3 2 223.364 0.513 20 0 BCADLP Nc1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cn1 ZINC000663499639 411683703 /nfs/dbraw/zinc/68/37/03/411683703.db2.gz ZSBOSPLAZANEEA-UHFFFAOYSA-N 2 2 218.304 0.505 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000314415416 411690106 /nfs/dbraw/zinc/69/01/06/411690106.db2.gz VHBJKQFEBWQNIW-TXEJJXNPSA-N 3 2 234.347 0.504 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000314415416 411690111 /nfs/dbraw/zinc/69/01/11/411690111.db2.gz VHBJKQFEBWQNIW-TXEJJXNPSA-N 3 2 234.347 0.504 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+]Cc1cnc(N(C)C)s1 ZINC000663508134 411690622 /nfs/dbraw/zinc/69/06/22/411690622.db2.gz KBQAQHGDOVGDSM-QMMMGPOBSA-N 2 2 228.365 0.907 20 0 BCADLP Cc1nc(NC[C@H]2COCC[NH2+]2)c(C)c(C)[nH+]1 ZINC000630533197 411759777 /nfs/dbraw/zinc/75/97/77/411759777.db2.gz SMUGESVONORMGE-NSHDSACASA-N 2 2 236.319 0.802 20 0 BCADLP Cc1nc(NCC[NH+]2CCC2)nc(N(C)C)[nH+]1 ZINC000533101518 411765697 /nfs/dbraw/zinc/76/56/97/411765697.db2.gz HNOHVGPHGQSAOX-UHFFFAOYSA-N 2 2 236.323 0.364 20 0 BCADLP CCn1cc[nH+]c1CNc1cc[nH+]c(N(C)C)n1 ZINC000385354489 411813881 /nfs/dbraw/zinc/81/38/81/411813881.db2.gz VAZCPCDIYRZYRP-UHFFFAOYSA-N 2 2 246.318 1.371 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)C[C@H]1COCCO1 ZINC000661611351 411815936 /nfs/dbraw/zinc/81/59/36/411815936.db2.gz JFMIOYXCXASZED-LBPRGKRZSA-N 2 2 239.319 0.310 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)C[C@H]1COCCO1 ZINC000661611351 411815940 /nfs/dbraw/zinc/81/59/40/411815940.db2.gz JFMIOYXCXASZED-LBPRGKRZSA-N 2 2 239.319 0.310 20 0 BCADLP C[C@@H]([NH3+])CCNc1cc[nH+]c(C2CC2)n1 ZINC000420154661 411822103 /nfs/dbraw/zinc/82/21/03/411822103.db2.gz JBKQUEUYRXCRHK-MRVPVSSYSA-N 2 2 206.293 1.503 20 0 BCADLP C[C@@H]([NH3+])C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000442656134 411822675 /nfs/dbraw/zinc/82/26/75/411822675.db2.gz DSDKZBNTXWIWPJ-SNVBAGLBSA-N 2 2 235.335 0.700 20 0 BCADLP C[C@H]1C[NH+](CCn2cc[nH+]c2)C[C@H](C)C1O ZINC000661628438 411824739 /nfs/dbraw/zinc/82/47/39/411824739.db2.gz UDCKMTDSFJYJIK-QWRGUYRKSA-N 2 2 223.320 0.832 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(N)nc2)C1 ZINC000647516144 411849937 /nfs/dbraw/zinc/84/99/37/411849937.db2.gz QECWHNKUJZYVKY-GFCCVEGCSA-N 2 2 234.347 1.047 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(N)nc2)C1 ZINC000647516144 411849942 /nfs/dbraw/zinc/84/99/42/411849942.db2.gz QECWHNKUJZYVKY-GFCCVEGCSA-N 2 2 234.347 1.047 20 0 BCADLP CC[N@@H+]1CCN(c2nc(C)[nH+]c(N)n2)[C@@H](C)C1 ZINC000631273584 411858842 /nfs/dbraw/zinc/85/88/42/411858842.db2.gz AGSLJHKELGWEPS-QMMMGPOBSA-N 2 2 236.323 0.293 20 0 BCADLP CC[N@H+]1CCN(c2nc(C)[nH+]c(N)n2)[C@@H](C)C1 ZINC000631273584 411858845 /nfs/dbraw/zinc/85/88/45/411858845.db2.gz AGSLJHKELGWEPS-QMMMGPOBSA-N 2 2 236.323 0.293 20 0 BCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000353164284 411885840 /nfs/dbraw/zinc/88/58/40/411885840.db2.gz FGEYHDJARDVJQO-VHSXEESVSA-N 2 2 234.303 0.990 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cnc(N)s1 ZINC000580714589 411890443 /nfs/dbraw/zinc/89/04/43/411890443.db2.gz BJYPQWMPJHMPLQ-QMMMGPOBSA-N 2 2 226.349 0.955 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000661825835 411892132 /nfs/dbraw/zinc/89/21/32/411892132.db2.gz GKJMJCOHALQZNY-UTUOFQBUSA-N 2 2 224.348 0.974 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000661825835 411892135 /nfs/dbraw/zinc/89/21/35/411892135.db2.gz GKJMJCOHALQZNY-UTUOFQBUSA-N 2 2 224.348 0.974 20 0 BCADLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccnc(N)c3)C[C@@H]2C1 ZINC000375734191 411895453 /nfs/dbraw/zinc/89/54/53/411895453.db2.gz DUAAHHNOCSOEGS-TXEJJXNPSA-N 2 2 232.331 0.657 20 0 BCADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccnc(N)c3)C[C@@H]2C1 ZINC000375734191 411895459 /nfs/dbraw/zinc/89/54/59/411895459.db2.gz DUAAHHNOCSOEGS-TXEJJXNPSA-N 2 2 232.331 0.657 20 0 BCADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccnc(N)c3)C[C@@H]2C1 ZINC000375734191 411895465 /nfs/dbraw/zinc/89/54/65/411895465.db2.gz DUAAHHNOCSOEGS-TXEJJXNPSA-N 2 2 232.331 0.657 20 0 BCADLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccnc(N)c3)C[C@@H]2C1 ZINC000375734191 411895468 /nfs/dbraw/zinc/89/54/68/411895468.db2.gz DUAAHHNOCSOEGS-TXEJJXNPSA-N 2 2 232.331 0.657 20 0 BCADLP C[NH2+]C1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000569245373 411900419 /nfs/dbraw/zinc/90/04/19/411900419.db2.gz IGWXGAVJMSLFAT-UHFFFAOYSA-N 2 2 220.320 0.848 20 0 BCADLP C[NH2+]C[C@H]1CCCN1Cc1cc[nH+]c(N)c1 ZINC000420292756 411902397 /nfs/dbraw/zinc/90/23/97/411902397.db2.gz PXXJYLXPDMWYDI-LLVKDONJSA-N 2 2 220.320 0.848 20 0 BCADLP C[NH2+][C@H]1CCCN(Cc2cc[nH+]c(N)c2)C1 ZINC000568392665 411903388 /nfs/dbraw/zinc/90/33/88/411903388.db2.gz UXIXWJYEMSUSTB-NSHDSACASA-N 2 2 220.320 0.848 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662029887 411942873 /nfs/dbraw/zinc/94/28/73/411942873.db2.gz CMJHDUKRTXKOPM-VXGBXAGGSA-N 2 2 235.331 0.931 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662029887 411942877 /nfs/dbraw/zinc/94/28/77/411942877.db2.gz CMJHDUKRTXKOPM-VXGBXAGGSA-N 2 2 235.331 0.931 20 0 BCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000582003460 411932308 /nfs/dbraw/zinc/93/23/08/411932308.db2.gz KSBOIKWDKLLZPB-VXNVDRBHSA-N 2 2 220.276 0.600 20 0 BCADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cnc(N)s1 ZINC000564970875 411878697 /nfs/dbraw/zinc/87/86/97/411878697.db2.gz NRIMFSLRLQQAIN-QMMMGPOBSA-N 2 2 214.338 0.798 20 0 BCADLP Nc1ncc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)s1 ZINC000566230253 411964216 /nfs/dbraw/zinc/96/42/16/411964216.db2.gz VNCOIHUQDIIQFT-QMMMGPOBSA-N 2 2 242.348 0.193 20 0 BCADLP Cc1nc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)nc(N)[nH+]1 ZINC000631188889 411965846 /nfs/dbraw/zinc/96/58/46/411965846.db2.gz LBEVMNGXKDLEHC-HTQZYQBOSA-N 2 2 236.323 0.291 20 0 BCADLP Cc1nc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)nc(N)[nH+]1 ZINC000631188889 411965851 /nfs/dbraw/zinc/96/58/51/411965851.db2.gz LBEVMNGXKDLEHC-HTQZYQBOSA-N 2 2 236.323 0.291 20 0 BCADLP Cc1nc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000631157951 411968607 /nfs/dbraw/zinc/96/86/07/411968607.db2.gz VFEJTZUZCROFFU-IONNQARKSA-N 2 2 248.334 0.799 20 0 BCADLP Cc1nc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000631157951 411968611 /nfs/dbraw/zinc/96/86/11/411968611.db2.gz VFEJTZUZCROFFU-IONNQARKSA-N 2 2 248.334 0.799 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(COC2)C1 ZINC000662072355 411974142 /nfs/dbraw/zinc/97/41/42/411974142.db2.gz HESAGLMNDZOXRS-LLVKDONJSA-N 2 2 228.336 0.021 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(COC2)C1 ZINC000662072355 411974146 /nfs/dbraw/zinc/97/41/46/411974146.db2.gz HESAGLMNDZOXRS-LLVKDONJSA-N 2 2 228.336 0.021 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC2(COC2)C1 ZINC000662072355 411974149 /nfs/dbraw/zinc/97/41/49/411974149.db2.gz HESAGLMNDZOXRS-LLVKDONJSA-N 2 2 228.336 0.021 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC2(COC2)C1 ZINC000662072355 411974154 /nfs/dbraw/zinc/97/41/54/411974154.db2.gz HESAGLMNDZOXRS-LLVKDONJSA-N 2 2 228.336 0.021 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC2(COC2)C1 ZINC000662073377 411974551 /nfs/dbraw/zinc/97/45/51/411974551.db2.gz MXLRVBGFTMQWGS-UHFFFAOYSA-N 2 2 221.304 0.685 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCC2(COC2)C1 ZINC000662073377 411974553 /nfs/dbraw/zinc/97/45/53/411974553.db2.gz MXLRVBGFTMQWGS-UHFFFAOYSA-N 2 2 221.304 0.685 20 0 BCADLP Nc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000622004583 411955711 /nfs/dbraw/zinc/95/57/11/411955711.db2.gz QVBJEIIJIRGMSC-DGCLKSJQSA-N 2 2 232.331 0.977 20 0 BCADLP Nc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000622004583 411955717 /nfs/dbraw/zinc/95/57/17/411955717.db2.gz QVBJEIIJIRGMSC-DGCLKSJQSA-N 2 2 232.331 0.977 20 0 BCADLP Nc1ccc(NC(=O)[C@@H]([NH3+])C2CCC2)c[nH+]1 ZINC000422545717 411958254 /nfs/dbraw/zinc/95/82/54/411958254.db2.gz XOGDEEHWQVWSPN-JTQLQIEISA-N 2 2 220.276 0.730 20 0 BCADLP Nc1ccc(NC(=O)[C@]2(F)CC[NH2+]C2)c[nH+]1 ZINC000361730461 411961177 /nfs/dbraw/zinc/96/11/77/411961177.db2.gz XPHOOLMNIJGSJQ-JTQLQIEISA-N 2 2 224.239 0.304 20 0 BCADLP Cc1nc(N2CC[C@@H]([NH+]3CC=CC3)C2)nc(N)[nH+]1 ZINC000631131270 411963543 /nfs/dbraw/zinc/96/35/43/411963543.db2.gz UAVUPYLLDUPOQM-SNVBAGLBSA-N 2 2 246.318 0.213 20 0 BCADLP Cc1cc(C[N@@H+](C)C2CC[NH2+]CC2)ncn1 ZINC000662237360 412034042 /nfs/dbraw/zinc/03/40/42/412034042.db2.gz IWVSZEBXXYUJTR-UHFFFAOYSA-N 2 2 220.320 0.969 20 0 BCADLP Cc1cc(C[N@H+](C)C2CC[NH2+]CC2)ncn1 ZINC000662237360 412034048 /nfs/dbraw/zinc/03/40/48/412034048.db2.gz IWVSZEBXXYUJTR-UHFFFAOYSA-N 2 2 220.320 0.969 20 0 BCADLP CCN1CC[C@H]([N@@H+]2CCC[C@H](C[NH2+]C)C2)C1=O ZINC000662238000 412034088 /nfs/dbraw/zinc/03/40/88/412034088.db2.gz MFDIILYHGHYEGT-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP CCN1CC[C@H]([N@H+]2CCC[C@H](C[NH2+]C)C2)C1=O ZINC000662238000 412034093 /nfs/dbraw/zinc/03/40/93/412034093.db2.gz MFDIILYHGHYEGT-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662243692 412039404 /nfs/dbraw/zinc/03/94/04/412039404.db2.gz OXZNUPZQHXXMOK-NEPJUHHUSA-N 3 2 239.363 0.321 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662243692 412039407 /nfs/dbraw/zinc/03/94/07/412039407.db2.gz OXZNUPZQHXXMOK-NEPJUHHUSA-N 3 2 239.363 0.321 20 0 BCADLP COC[C@@H](C[N@@H+]1CCCC[C@@H]1C[NH3+])OC ZINC000662243043 412039488 /nfs/dbraw/zinc/03/94/88/412039488.db2.gz KLXVSGJIZPSOGL-GHMZBOCLSA-N 2 2 216.325 0.461 20 0 BCADLP COC[C@@H](C[N@H+]1CCCC[C@@H]1C[NH3+])OC ZINC000662243043 412039490 /nfs/dbraw/zinc/03/94/90/412039490.db2.gz KLXVSGJIZPSOGL-GHMZBOCLSA-N 2 2 216.325 0.461 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662245118 412041245 /nfs/dbraw/zinc/04/12/45/412041245.db2.gz KOEIUCSQBFPCBY-VXGBXAGGSA-N 3 2 239.363 0.191 20 0 BCADLP CCN1CC[C@H]([NH+]2CCC([NH2+]C)CC2)C1=O ZINC000662245462 412041620 /nfs/dbraw/zinc/04/16/20/412041620.db2.gz QTPOTWXZEMEMSA-NSHDSACASA-N 2 2 225.336 0.291 20 0 BCADLP CO[C@H](C[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1)C1CCC1 ZINC000662247880 412044329 /nfs/dbraw/zinc/04/43/29/412044329.db2.gz NOMZMDAJEDGAIX-WCFLWFBJSA-N 2 2 242.363 0.850 20 0 BCADLP CO[C@H](C[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1)C1CCC1 ZINC000662247880 412044333 /nfs/dbraw/zinc/04/43/33/412044333.db2.gz NOMZMDAJEDGAIX-WCFLWFBJSA-N 2 2 242.363 0.850 20 0 BCADLP OCCCC[N@H+](C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000662255989 412051385 /nfs/dbraw/zinc/05/13/85/412051385.db2.gz TVEUXTNEWANBII-GFCCVEGCSA-N 2 2 228.336 0.212 20 0 BCADLP OCCCC[N@@H+](C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000662255989 412051387 /nfs/dbraw/zinc/05/13/87/412051387.db2.gz TVEUXTNEWANBII-GFCCVEGCSA-N 2 2 228.336 0.212 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3C[NH2+]CCO3)C[C@@H]21 ZINC000662267517 412061145 /nfs/dbraw/zinc/06/11/45/412061145.db2.gz WFLOHYKUNCFMIR-FVCCEPFGSA-N 3 2 239.363 0.034 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3C[NH2+]CCO3)C[C@@H]21 ZINC000662267517 412061150 /nfs/dbraw/zinc/06/11/50/412061150.db2.gz WFLOHYKUNCFMIR-FVCCEPFGSA-N 3 2 239.363 0.034 20 0 BCADLP CC[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@H]1O ZINC000270904520 171085313 /nfs/dbraw/zinc/08/53/13/171085313.db2.gz RSOMPOUPKSYLOO-GHMZBOCLSA-N 2 2 209.293 0.586 20 0 BCADLP CC[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@H]1O ZINC000270904520 171085315 /nfs/dbraw/zinc/08/53/15/171085315.db2.gz RSOMPOUPKSYLOO-GHMZBOCLSA-N 2 2 209.293 0.586 20 0 BCADLP COC[C@@H](C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C)OC ZINC000662275987 412067772 /nfs/dbraw/zinc/06/77/72/412067772.db2.gz GMEBXADSEOGOJK-AEJSXWLSSA-N 2 2 202.298 0.069 20 0 BCADLP COC[C@@H](C[N@H+]1CC[C@H]([NH3+])[C@@H]1C)OC ZINC000662275987 412067774 /nfs/dbraw/zinc/06/77/74/412067774.db2.gz GMEBXADSEOGOJK-AEJSXWLSSA-N 2 2 202.298 0.069 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000290052642 171147559 /nfs/dbraw/zinc/14/75/59/171147559.db2.gz HGPBDLWLPNGNIK-UWVGGRQHSA-N 2 2 236.319 0.722 20 0 BCADLP C[NH2+]CCC[N@H+](C)[C@@H]1CCCN(C)C1=O ZINC000662280398 412070598 /nfs/dbraw/zinc/07/05/98/412070598.db2.gz DBNXXXFATPWDBD-SNVBAGLBSA-N 2 2 213.325 0.149 20 0 BCADLP C[NH2+]CCC[N@@H+](C)[C@@H]1CCCN(C)C1=O ZINC000662280398 412070601 /nfs/dbraw/zinc/07/06/01/412070601.db2.gz DBNXXXFATPWDBD-SNVBAGLBSA-N 2 2 213.325 0.149 20 0 BCADLP CC[C@H](C(=O)NCCn1cc[nH+]c1)[NH+](C)C ZINC000133438378 171228792 /nfs/dbraw/zinc/22/87/92/171228792.db2.gz WXUQLJAXTJRUSP-SNVBAGLBSA-N 2 2 224.308 0.340 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccccn1 ZINC000662284580 412074611 /nfs/dbraw/zinc/07/46/11/412074611.db2.gz ZEDGYKIXXWIKKP-QWRGUYRKSA-N 2 2 221.304 0.721 20 0 BCADLP CC[C@H](C)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000357356384 171285092 /nfs/dbraw/zinc/28/50/92/171285092.db2.gz PTIXXANEUSIQEA-RYUDHWBXSA-N 2 2 241.379 0.962 20 0 BCADLP CC[C@H](C)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000357356384 171285094 /nfs/dbraw/zinc/28/50/94/171285094.db2.gz PTIXXANEUSIQEA-RYUDHWBXSA-N 2 2 241.379 0.962 20 0 BCADLP OCC[C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662298483 412083446 /nfs/dbraw/zinc/08/34/46/412083446.db2.gz CZRUUKZHTAXIPC-RYUDHWBXSA-N 2 2 228.336 0.212 20 0 BCADLP OCC[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662298483 412083448 /nfs/dbraw/zinc/08/34/48/412083448.db2.gz CZRUUKZHTAXIPC-RYUDHWBXSA-N 2 2 228.336 0.212 20 0 BCADLP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1c[nH+]cn1C ZINC000236983235 171332792 /nfs/dbraw/zinc/33/27/92/171332792.db2.gz ZGHMSDGLOJJFNM-VHSXEESVSA-N 2 2 238.335 0.813 20 0 BCADLP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577140 171332847 /nfs/dbraw/zinc/33/28/47/171332847.db2.gz WOCISMUAJMIWSN-WHOHXGKFSA-N 2 2 239.363 0.441 20 0 BCADLP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577140 171332849 /nfs/dbraw/zinc/33/28/49/171332849.db2.gz WOCISMUAJMIWSN-WHOHXGKFSA-N 2 2 239.363 0.441 20 0 BCADLP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC([NH2+]C)CC1 ZINC000037536908 171333116 /nfs/dbraw/zinc/33/31/16/171333116.db2.gz XEUDQKLYRFKZIA-QWRGUYRKSA-N 2 2 241.379 0.973 20 0 BCADLP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577150 171335110 /nfs/dbraw/zinc/33/51/10/171335110.db2.gz WOCISMUAJMIWSN-FIQHERPVSA-N 2 2 239.363 0.441 20 0 BCADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577150 171335111 /nfs/dbraw/zinc/33/51/11/171335111.db2.gz WOCISMUAJMIWSN-FIQHERPVSA-N 2 2 239.363 0.441 20 0 BCADLP CC[C@H](C)NC(=O)[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342120431 171335235 /nfs/dbraw/zinc/33/52/35/171335235.db2.gz IBBULINEMXZCEP-UWVGGRQHSA-N 2 2 227.352 0.761 20 0 BCADLP CC[C@H](C)[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000042556391 171364328 /nfs/dbraw/zinc/36/43/28/171364328.db2.gz HRMHGYSZZWIPIK-NWDGAFQWSA-N 2 2 241.379 0.785 20 0 BCADLP CC[C@H](C)[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000042556397 171388992 /nfs/dbraw/zinc/38/89/92/171388992.db2.gz HRMHGYSZZWIPIK-RYUDHWBXSA-N 2 2 241.379 0.785 20 0 BCADLP C[N@@H+](CC1=CCCOC1)C[C@@H]1C[NH2+]CCO1 ZINC000662305542 412086026 /nfs/dbraw/zinc/08/60/26/412086026.db2.gz IYRXSDRMKOSZPN-LBPRGKRZSA-N 2 2 226.320 0.253 20 0 BCADLP C[N@H+](CC1=CCCOC1)C[C@@H]1C[NH2+]CCO1 ZINC000662305542 412086029 /nfs/dbraw/zinc/08/60/29/412086029.db2.gz IYRXSDRMKOSZPN-LBPRGKRZSA-N 2 2 226.320 0.253 20 0 BCADLP C[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000662315212 412095989 /nfs/dbraw/zinc/09/59/89/412095989.db2.gz QPVQCQDXOOHJAY-WOPDTQHZSA-N 2 2 228.336 0.474 20 0 BCADLP C[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000662315212 412095991 /nfs/dbraw/zinc/09/59/91/412095991.db2.gz QPVQCQDXOOHJAY-WOPDTQHZSA-N 2 2 228.336 0.474 20 0 BCADLP C[N@@H+](CC1=CCSC1)C[C@H]1C[NH2+]CCO1 ZINC000662327704 412104369 /nfs/dbraw/zinc/10/43/69/412104369.db2.gz UEEVCXBXQWGACP-LLVKDONJSA-N 2 2 228.361 0.580 20 0 BCADLP C[N@H+](CC1=CCSC1)C[C@H]1C[NH2+]CCO1 ZINC000662327704 412104371 /nfs/dbraw/zinc/10/43/71/412104371.db2.gz UEEVCXBXQWGACP-LLVKDONJSA-N 2 2 228.361 0.580 20 0 BCADLP C[C@@]1(C(F)F)C[N@H+](CCC[NH3+])CCO1 ZINC000662336131 412106826 /nfs/dbraw/zinc/10/68/26/412106826.db2.gz VRNFHJXKRCCWQT-VIFPVBQESA-N 2 2 208.252 0.691 20 0 BCADLP C[C@@]1(C(F)F)C[N@@H+](CCC[NH3+])CCO1 ZINC000662336131 412106828 /nfs/dbraw/zinc/10/68/28/412106828.db2.gz VRNFHJXKRCCWQT-VIFPVBQESA-N 2 2 208.252 0.691 20 0 BCADLP CC[C@H]1C[N@H+](Cc2cn(C)nn2)CC[C@@H]1[NH3+] ZINC000220233087 412125896 /nfs/dbraw/zinc/12/58/96/412125896.db2.gz KFQNOAKUSIDPPP-ONGXEEELSA-N 2 2 223.324 0.374 20 0 BCADLP CC[C@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@@H]1[NH3+] ZINC000220233087 412125902 /nfs/dbraw/zinc/12/59/02/412125902.db2.gz KFQNOAKUSIDPPP-ONGXEEELSA-N 2 2 223.324 0.374 20 0 BCADLP CC(C)[NH2+]CC(=O)NCCNc1cccc[nH+]1 ZINC000662370467 412128498 /nfs/dbraw/zinc/12/84/98/412128498.db2.gz DHXIJGYQWVQOSB-UHFFFAOYSA-N 2 2 236.319 0.608 20 0 BCADLP CC[C@H](N[C@H]1CC[NH2+]C1)c1[nH+]ccn1C ZINC000665243078 412187064 /nfs/dbraw/zinc/18/70/64/412187064.db2.gz VGHCCSLPAOBHBL-UWVGGRQHSA-N 2 2 208.309 0.823 20 0 BCADLP Cn1cc[nH+]c1[C@@H](N[C@H]1CC[NH2+]C1)C1CC1 ZINC000665242900 412187395 /nfs/dbraw/zinc/18/73/95/412187395.db2.gz OACGAMVXUWFRCW-QWRGUYRKSA-N 2 2 220.320 0.823 20 0 BCADLP CO[C@@H](C)C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000665244371 412188781 /nfs/dbraw/zinc/18/87/81/412188781.db2.gz LYTFZAUGFMREEX-DCAQKATOSA-N 2 2 216.325 0.378 20 0 BCADLP CCn1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)nn1 ZINC000665245617 412189868 /nfs/dbraw/zinc/18/98/68/412189868.db2.gz NOLPMYXZRMPVMO-ZYHUDNBSSA-N 2 2 237.351 0.776 20 0 BCADLP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CCCC1 ZINC000665246599 412191230 /nfs/dbraw/zinc/19/12/30/412191230.db2.gz JLZSKAUEWHIOQN-MNOVXSKESA-N 3 2 211.353 0.975 20 0 BCADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]([NH3+])C3)ccn12 ZINC000662405697 412151825 /nfs/dbraw/zinc/15/18/25/412151825.db2.gz ZLMWOOFMZRNOAE-NSHDSACASA-N 2 2 244.298 0.816 20 0 BCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC2(C)C)[C@@H](C[NH3+])C1 ZINC000662430064 412168703 /nfs/dbraw/zinc/16/87/03/412168703.db2.gz UHWKKFBNCWWEQK-QWRGUYRKSA-N 2 2 239.363 0.524 20 0 BCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC2(C)C)[C@@H](C[NH3+])C1 ZINC000662430064 412168708 /nfs/dbraw/zinc/16/87/08/412168708.db2.gz UHWKKFBNCWWEQK-QWRGUYRKSA-N 2 2 239.363 0.524 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000662704441 412276936 /nfs/dbraw/zinc/27/69/36/412276936.db2.gz IDPZTZBISHBULQ-MXWKQRLJSA-N 2 2 225.336 0.134 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662717532 412281100 /nfs/dbraw/zinc/28/11/00/412281100.db2.gz OINGDMUNUSXHCM-SNVBAGLBSA-N 2 2 236.319 0.424 20 0 BCADLP CCS(=O)(=O)C1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000665275367 412219868 /nfs/dbraw/zinc/21/98/68/412219868.db2.gz JENKJFOBPCRORZ-UWVGGRQHSA-N 2 2 246.376 0.423 20 0 BCADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279841 412222502 /nfs/dbraw/zinc/22/25/02/412222502.db2.gz NMEJCWXQNBAGQB-CQLXCSJHSA-N 3 2 223.364 0.716 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000662585967 412227457 /nfs/dbraw/zinc/22/74/57/412227457.db2.gz NAZOBHUTHKRSAV-VIFPVBQESA-N 2 2 208.265 0.120 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000662585967 412227461 /nfs/dbraw/zinc/22/74/61/412227461.db2.gz NAZOBHUTHKRSAV-VIFPVBQESA-N 2 2 208.265 0.120 20 0 BCADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]1[NH3+])c1nccn1C ZINC000665283804 412229822 /nfs/dbraw/zinc/22/98/22/412229822.db2.gz VLRBLLNOFHQIPL-LPEHRKFASA-N 2 2 208.309 0.951 20 0 BCADLP C[C@H](N[C@@H]1CCC[C@@H]1[NH3+])c1[nH+]ccn1C ZINC000665283804 412229825 /nfs/dbraw/zinc/22/98/25/412229825.db2.gz VLRBLLNOFHQIPL-LPEHRKFASA-N 2 2 208.309 0.951 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C[NH2+]C1CC1 ZINC000662585565 412229942 /nfs/dbraw/zinc/22/99/42/412229942.db2.gz KKIPXGZWYGWYPJ-UHFFFAOYSA-N 2 2 208.265 0.120 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000662586731 412229995 /nfs/dbraw/zinc/22/99/95/412229995.db2.gz YGOZEMNDIYBLTE-NWDGAFQWSA-N 2 2 248.330 0.899 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000662586731 412229999 /nfs/dbraw/zinc/22/99/99/412229999.db2.gz YGOZEMNDIYBLTE-NWDGAFQWSA-N 2 2 248.330 0.899 20 0 BCADLP CC(C)C[C@@H]([NH3+])C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662585517 412230031 /nfs/dbraw/zinc/23/00/31/412230031.db2.gz JPQUNYAKMCISOP-SNVBAGLBSA-N 2 2 224.308 0.742 20 0 BCADLP CC(C)[C@@H](C(=O)N(C)Cc1c[nH+]c[nH]1)[C@H](C)[NH3+] ZINC000662586172 412230160 /nfs/dbraw/zinc/23/01/60/412230160.db2.gz PZFSGAHTQUMVBI-GXSJLCMTSA-N 2 2 238.335 0.988 20 0 BCADLP CC(C)[C@@H](C(=O)N(C)Cc1c[nH]c[nH+]1)[C@H](C)[NH3+] ZINC000662586172 412230162 /nfs/dbraw/zinc/23/01/62/412230162.db2.gz PZFSGAHTQUMVBI-GXSJLCMTSA-N 2 2 238.335 0.988 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000662585068 412230535 /nfs/dbraw/zinc/23/05/35/412230535.db2.gz HTVGKRGYXHLMGK-SECBINFHSA-N 2 2 222.292 0.510 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000662585068 412230540 /nfs/dbraw/zinc/23/05/40/412230540.db2.gz HTVGKRGYXHLMGK-SECBINFHSA-N 2 2 222.292 0.510 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000662585071 412231340 /nfs/dbraw/zinc/23/13/40/412231340.db2.gz HTVGKRGYXHLMGK-VIFPVBQESA-N 2 2 222.292 0.510 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000662585071 412231343 /nfs/dbraw/zinc/23/13/43/412231343.db2.gz HTVGKRGYXHLMGK-VIFPVBQESA-N 2 2 222.292 0.510 20 0 BCADLP C[C@H]([NH2+]CCNc1cnccn1)[C@H]1CCCC[NH2+]1 ZINC000576861375 412237185 /nfs/dbraw/zinc/23/71/85/412237185.db2.gz CKUHYAMPLMKSPE-NWDGAFQWSA-N 2 2 249.362 1.009 20 0 BCADLP C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])S(C)(=O)=O ZINC000665299357 412246357 /nfs/dbraw/zinc/24/63/57/412246357.db2.gz LOGGIEJSIWQPLM-GMTAPVOTSA-N 2 2 248.392 0.669 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOCCF ZINC000665299237 412248072 /nfs/dbraw/zinc/24/80/72/412248072.db2.gz JBSRNMSYFDMXTA-MNOVXSKESA-N 2 2 234.315 0.329 20 0 BCADLP C[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)S(C)(=O)=O ZINC000665299261 412248106 /nfs/dbraw/zinc/24/81/06/412248106.db2.gz JMHDVLNVHJYOHK-GMTAPVOTSA-N 2 2 248.392 0.540 20 0 BCADLP CCn1nccc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000665299563 412248390 /nfs/dbraw/zinc/24/83/90/412248390.db2.gz PKZDBHGHYPOGNG-MNOVXSKESA-N 2 2 208.309 0.872 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000662839736 412318782 /nfs/dbraw/zinc/31/87/82/412318782.db2.gz WMJXKQZXWUQIHZ-KOLCDFICSA-N 2 2 236.319 0.756 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000662839736 412318784 /nfs/dbraw/zinc/31/87/84/412318784.db2.gz WMJXKQZXWUQIHZ-KOLCDFICSA-N 2 2 236.319 0.756 20 0 BCADLP [NH3+]CC12CC(C1)CN2C(=O)CCn1cc[nH+]c1 ZINC000662874907 412332438 /nfs/dbraw/zinc/33/24/38/412332438.db2.gz CDMQAXZIQQCSAE-UHFFFAOYSA-N 2 2 234.303 0.223 20 0 BCADLP CCn1cc[nH+]c1CN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000132875666 412337482 /nfs/dbraw/zinc/33/74/82/412337482.db2.gz AJGLFDLLNGXGNR-MNOVXSKESA-N 2 2 238.335 0.451 20 0 BCADLP CC[C@H]([NH3+])C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000662899617 412339686 /nfs/dbraw/zinc/33/96/86/412339686.db2.gz GXDOMEZLASMRDY-IUCAKERBSA-N 2 2 224.308 0.818 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H](C)[NH3+] ZINC000662899994 412340119 /nfs/dbraw/zinc/34/01/19/412340119.db2.gz JXEDAQAQOKGZEB-JGVFFNPUSA-N 2 2 210.281 0.427 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@]1(C)CC1(C)C ZINC000662917729 412344889 /nfs/dbraw/zinc/34/48/89/412344889.db2.gz XDEBPNCVAKFASI-JOYOIKCWSA-N 2 2 227.352 0.570 20 0 BCADLP C[C@@H](NC(=O)CC[C@H](C)[NH3+])c1[nH+]ccn1C ZINC000662935329 412349538 /nfs/dbraw/zinc/34/95/38/412349538.db2.gz ULDLZOFLGIQFTA-DTWKUNHWSA-N 2 2 224.308 0.725 20 0 BCADLP C[C@H](NC(=O)C[NH2+]C1CC1)c1[nH+]ccn1C ZINC000662934531 412349684 /nfs/dbraw/zinc/34/96/84/412349684.db2.gz OGQTZWFWWQIASE-QMMMGPOBSA-N 2 2 222.292 0.349 20 0 BCADLP C[C@@H]([NH3+])CCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662935328 412349700 /nfs/dbraw/zinc/34/97/00/412349700.db2.gz ULDLZOFLGIQFTA-BDAKNGLRSA-N 2 2 224.308 0.725 20 0 BCADLP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662935673 412350211 /nfs/dbraw/zinc/35/02/11/412350211.db2.gz XOJWQSKBCPXQPF-CIUDSAMLSA-N 2 2 224.308 0.581 20 0 BCADLP C[NH2+]C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000662969899 412360300 /nfs/dbraw/zinc/36/03/00/412360300.db2.gz SGOAERFHDKUYHJ-SECBINFHSA-N 2 2 246.314 0.980 20 0 BCADLP C[NH2+]CCNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000420158009 412291244 /nfs/dbraw/zinc/29/12/44/412291244.db2.gz PNTVBELOAQLXCU-UHFFFAOYSA-N 2 2 238.339 0.692 20 0 BCADLP C[NH2+]C[C@H](C)CNc1cc(NCC2CC2)[nH+]cn1 ZINC000420188512 412292118 /nfs/dbraw/zinc/29/21/18/412292118.db2.gz FITPXBSHKGEVAR-JTQLQIEISA-N 2 2 249.362 1.566 20 0 BCADLP C[NH2+]C[C@H](C)CNc1cc(NCC2CC2)nc[nH+]1 ZINC000420188512 412292121 /nfs/dbraw/zinc/29/21/21/412292121.db2.gz FITPXBSHKGEVAR-JTQLQIEISA-N 2 2 249.362 1.566 20 0 BCADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[NH3+])ccn12 ZINC000662775869 412299435 /nfs/dbraw/zinc/29/94/35/412299435.db2.gz ZFZYJLZMJMSVAZ-MRVPVSSYSA-N 2 2 232.287 0.720 20 0 BCADLP C[C@@]1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC[NH2+]C1 ZINC000663013182 412371236 /nfs/dbraw/zinc/37/12/36/412371236.db2.gz AGHSNJCJCXYILN-GXFFZTMASA-N 2 2 248.330 0.314 20 0 BCADLP [NH3+]Cc1noc(C2([NH3+])CC3(CCC3)C2)n1 ZINC000663252046 412395643 /nfs/dbraw/zinc/39/56/43/412395643.db2.gz XFQBTFIPZIEJJT-UHFFFAOYSA-N 2 2 208.265 0.646 20 0 BCADLP CCn1cc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)cn1 ZINC000070800118 172166121 /nfs/dbraw/zinc/16/61/21/172166121.db2.gz AJLLRCVCLHKTKN-NSHDSACASA-N 2 2 222.336 0.944 20 0 BCADLP CCn1cc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)cn1 ZINC000070800118 172166122 /nfs/dbraw/zinc/16/61/22/172166122.db2.gz AJLLRCVCLHKTKN-NSHDSACASA-N 2 2 222.336 0.944 20 0 BCADLP CCn1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cn1 ZINC000358171572 172172272 /nfs/dbraw/zinc/17/22/72/172172272.db2.gz UCNPVXWXNHUZIF-LBPRGKRZSA-N 2 2 238.335 0.059 20 0 BCADLP CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+])C1CC1 ZINC000331843852 172309818 /nfs/dbraw/zinc/30/98/18/172309818.db2.gz LCPWYVOTVCKTFA-GHMZBOCLSA-N 2 2 225.336 0.467 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918058 172364812 /nfs/dbraw/zinc/36/48/12/172364812.db2.gz RIQMOKVIUUYOGK-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP CN(C)C(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918058 172364814 /nfs/dbraw/zinc/36/48/14/172364814.db2.gz RIQMOKVIUUYOGK-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000044564441 173009153 /nfs/dbraw/zinc/00/91/53/173009153.db2.gz AIRYXXIIXHUMNI-UWVGGRQHSA-N 2 2 243.376 0.249 20 0 BCADLP C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000044564441 173009156 /nfs/dbraw/zinc/00/91/56/173009156.db2.gz AIRYXXIIXHUMNI-UWVGGRQHSA-N 2 2 243.376 0.249 20 0 BCADLP C[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000264738564 173013001 /nfs/dbraw/zinc/01/30/01/173013001.db2.gz GHEGOIRRYRVEGT-UHFFFAOYSA-N 2 2 236.319 0.437 20 0 BCADLP C[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000264738564 173013003 /nfs/dbraw/zinc/01/30/03/173013003.db2.gz GHEGOIRRYRVEGT-UHFFFAOYSA-N 2 2 236.319 0.437 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000121080486 173050883 /nfs/dbraw/zinc/05/08/83/173050883.db2.gz SGCILTYTTCAAQK-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000121080486 173050885 /nfs/dbraw/zinc/05/08/85/173050885.db2.gz SGCILTYTTCAAQK-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@](F)(CO)C1 ZINC000338590812 173053712 /nfs/dbraw/zinc/05/37/12/173053712.db2.gz UQUDIKRAGOXDEY-NWDGAFQWSA-N 2 2 230.327 0.877 20 0 BCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@](F)(CO)C1 ZINC000338590812 173053713 /nfs/dbraw/zinc/05/37/13/173053713.db2.gz UQUDIKRAGOXDEY-NWDGAFQWSA-N 2 2 230.327 0.877 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@](F)(CO)C1 ZINC000338590812 173053714 /nfs/dbraw/zinc/05/37/14/173053714.db2.gz UQUDIKRAGOXDEY-NWDGAFQWSA-N 2 2 230.327 0.877 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@](F)(CO)C1 ZINC000338590812 173053715 /nfs/dbraw/zinc/05/37/15/173053715.db2.gz UQUDIKRAGOXDEY-NWDGAFQWSA-N 2 2 230.327 0.877 20 0 BCADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(F)F ZINC000338324976 173066436 /nfs/dbraw/zinc/06/64/36/173066436.db2.gz ZFSLQZLBCPDTDO-UHFFFAOYSA-N 2 2 249.305 0.347 20 0 BCADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(F)F ZINC000338324976 173066438 /nfs/dbraw/zinc/06/64/38/173066438.db2.gz ZFSLQZLBCPDTDO-UHFFFAOYSA-N 2 2 249.305 0.347 20 0 BCADLP C[N@@H+]1CCN(C(=O)C[NH3+])[C@@H](c2ccccc2)C1 ZINC000042237589 173066513 /nfs/dbraw/zinc/06/65/13/173066513.db2.gz ADHZUXVZNANXEJ-GFCCVEGCSA-N 2 2 233.315 0.460 20 0 BCADLP C[N@H+]1CCN(C(=O)C[NH3+])[C@@H](c2ccccc2)C1 ZINC000042237589 173066515 /nfs/dbraw/zinc/06/65/15/173066515.db2.gz ADHZUXVZNANXEJ-GFCCVEGCSA-N 2 2 233.315 0.460 20 0 BCADLP C[NH+]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000367725278 173071571 /nfs/dbraw/zinc/07/15/71/173071571.db2.gz JINMOMBGOOBZKJ-LLVKDONJSA-N 2 2 248.330 0.535 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335402084 487625980 /nfs/dbraw/zinc/62/59/80/487625980.db2.gz ZUGFBQFCYHNGEL-LBPRGKRZSA-N 2 2 225.336 0.150 20 0 BCADLP CN(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335402084 487625985 /nfs/dbraw/zinc/62/59/85/487625985.db2.gz ZUGFBQFCYHNGEL-LBPRGKRZSA-N 2 2 225.336 0.150 20 0 BCADLP C[N@@H+]1CCO[C@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000112332689 173106936 /nfs/dbraw/zinc/10/69/36/173106936.db2.gz PLOGRYBUSXINPZ-GFCCVEGCSA-N 2 2 248.330 0.953 20 0 BCADLP C[N@H+]1CCO[C@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000112332689 173106937 /nfs/dbraw/zinc/10/69/37/173106937.db2.gz PLOGRYBUSXINPZ-GFCCVEGCSA-N 2 2 248.330 0.953 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000370149858 173133001 /nfs/dbraw/zinc/13/30/01/173133001.db2.gz IMTPMGPGQDLNJI-YPMHNXCESA-N 2 2 234.347 0.946 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000370149858 173133003 /nfs/dbraw/zinc/13/30/03/173133003.db2.gz IMTPMGPGQDLNJI-YPMHNXCESA-N 2 2 234.347 0.946 20 0 BCADLP C[N@@H+]1CC[C@@H]2CCN(Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC000378460469 173133212 /nfs/dbraw/zinc/13/32/12/173133212.db2.gz VIODEJVDSDKJCG-MNOVXSKESA-N 2 2 220.320 0.936 20 0 BCADLP C[N@H+]1CC[C@@H]2CCN(Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC000378460469 173133214 /nfs/dbraw/zinc/13/32/14/173133214.db2.gz VIODEJVDSDKJCG-MNOVXSKESA-N 2 2 220.320 0.936 20 0 BCADLP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283951576 173143383 /nfs/dbraw/zinc/14/33/83/173143383.db2.gz LHSHUPURVDPTDH-UFFNRZRYSA-N 2 2 248.330 0.833 20 0 BCADLP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283951576 173143385 /nfs/dbraw/zinc/14/33/85/173143385.db2.gz LHSHUPURVDPTDH-UFFNRZRYSA-N 2 2 248.330 0.833 20 0 BCADLP CN1CC[C@H]([NH+]2CCC([NH+](C)C)CC2)C1=O ZINC000116351145 173150663 /nfs/dbraw/zinc/15/06/63/173150663.db2.gz MWSFQICBUAXHJI-NSHDSACASA-N 2 2 225.336 0.243 20 0 BCADLP Cn1cnnc1C[NH2+][C@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367623251 173154516 /nfs/dbraw/zinc/15/45/16/173154516.db2.gz VJAFCCHPECNZSR-WOPDTQHZSA-N 2 2 249.362 0.778 20 0 BCADLP Cn1cnnc1C[NH2+][C@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367623251 173154519 /nfs/dbraw/zinc/15/45/19/173154519.db2.gz VJAFCCHPECNZSR-WOPDTQHZSA-N 2 2 249.362 0.778 20 0 BCADLP C[N@@H+]1CC[C@H]2CC[NH+](CCn3cccn3)[C@@H]2C1 ZINC000373135888 173159906 /nfs/dbraw/zinc/15/99/06/173159906.db2.gz BIQSXRHXFMJHRB-QWHCGFSZSA-N 2 2 234.347 0.909 20 0 BCADLP C[N@H+]1CC[C@H]2CC[NH+](CCn3cccn3)[C@@H]2C1 ZINC000373135888 173159907 /nfs/dbraw/zinc/15/99/07/173159907.db2.gz BIQSXRHXFMJHRB-QWHCGFSZSA-N 2 2 234.347 0.909 20 0 BCADLP C[NH+]1CC[C@H]2CC[N@H+](CCn3cccn3)[C@@H]2C1 ZINC000373135888 173159909 /nfs/dbraw/zinc/15/99/09/173159909.db2.gz BIQSXRHXFMJHRB-QWHCGFSZSA-N 2 2 234.347 0.909 20 0 BCADLP C[NH+]1CC[C@H]2CC[N@@H+](CCn3cccn3)[C@@H]2C1 ZINC000373135888 173159911 /nfs/dbraw/zinc/15/99/11/173159911.db2.gz BIQSXRHXFMJHRB-QWHCGFSZSA-N 2 2 234.347 0.909 20 0 BCADLP C[N@@H+]1CC[C@H]2CCN(CCn3cc[nH+]c3)C[C@@H]21 ZINC000378462075 173160082 /nfs/dbraw/zinc/16/00/82/173160082.db2.gz XVXPIJABTVLEDD-STQMWFEESA-N 2 2 234.347 0.909 20 0 BCADLP C[N@H+]1CC[C@H]2CCN(CCn3cc[nH+]c3)C[C@@H]21 ZINC000378462075 173160084 /nfs/dbraw/zinc/16/00/84/173160084.db2.gz XVXPIJABTVLEDD-STQMWFEESA-N 2 2 234.347 0.909 20 0 BCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc[nH]c2)C1 ZINC000336766187 173164328 /nfs/dbraw/zinc/16/43/28/173164328.db2.gz RJSXAQODBAKQPN-NSHDSACASA-N 2 2 209.293 0.171 20 0 BCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc[nH]c2)C1 ZINC000336766187 173164330 /nfs/dbraw/zinc/16/43/30/173164330.db2.gz RJSXAQODBAKQPN-NSHDSACASA-N 2 2 209.293 0.171 20 0 BCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cccc(O)c2)C1 ZINC000358153745 173164572 /nfs/dbraw/zinc/16/45/72/173164572.db2.gz DMEQBGSDARMYJL-ZDUSSCGKSA-N 2 2 236.315 0.548 20 0 BCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cccc(O)c2)C1 ZINC000358153745 173164574 /nfs/dbraw/zinc/16/45/74/173164574.db2.gz DMEQBGSDARMYJL-ZDUSSCGKSA-N 2 2 236.315 0.548 20 0 BCADLP Cn1nccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336275776 173167952 /nfs/dbraw/zinc/16/79/52/173167952.db2.gz GRIFZTZLVRILNJ-ZDUSSCGKSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1nccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336275776 173167953 /nfs/dbraw/zinc/16/79/53/173167953.db2.gz GRIFZTZLVRILNJ-ZDUSSCGKSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1nccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336275776 173167955 /nfs/dbraw/zinc/16/79/55/173167955.db2.gz GRIFZTZLVRILNJ-ZDUSSCGKSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1nccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336275776 173167957 /nfs/dbraw/zinc/16/79/57/173167957.db2.gz GRIFZTZLVRILNJ-ZDUSSCGKSA-N 2 2 234.347 0.948 20 0 BCADLP CNC(=O)C(C)(C)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336766356 173220412 /nfs/dbraw/zinc/22/04/12/173220412.db2.gz OUMOXXYQCSFWNF-UWVGGRQHSA-N 2 2 227.352 0.298 20 0 BCADLP CNC(=O)C(C)(C)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336766356 173220415 /nfs/dbraw/zinc/22/04/15/173220415.db2.gz OUMOXXYQCSFWNF-UWVGGRQHSA-N 2 2 227.352 0.298 20 0 BCADLP CNC(=O)C[NH2+]CCCc1c[nH+]ccc1C ZINC000309950717 173276903 /nfs/dbraw/zinc/27/69/03/173276903.db2.gz FWMDGPPXLRTQCC-UHFFFAOYSA-N 2 2 221.304 0.658 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000299376905 173280588 /nfs/dbraw/zinc/28/05/88/173280588.db2.gz VEVKMKUVRJXBQQ-SNVBAGLBSA-N 2 2 224.308 0.387 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000341906148 173280709 /nfs/dbraw/zinc/28/07/09/173280709.db2.gz XARLUYGDERLLHY-VXGBXAGGSA-N 2 2 241.379 0.975 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000341906148 173280710 /nfs/dbraw/zinc/28/07/10/173280710.db2.gz XARLUYGDERLLHY-VXGBXAGGSA-N 2 2 241.379 0.975 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000299376903 173281731 /nfs/dbraw/zinc/28/17/31/173281731.db2.gz VEVKMKUVRJXBQQ-JTQLQIEISA-N 2 2 224.308 0.387 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000341906146 173281856 /nfs/dbraw/zinc/28/18/56/173281856.db2.gz XARLUYGDERLLHY-NWDGAFQWSA-N 2 2 241.379 0.975 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000341906146 173281857 /nfs/dbraw/zinc/28/18/57/173281857.db2.gz XARLUYGDERLLHY-NWDGAFQWSA-N 2 2 241.379 0.975 20 0 BCADLP CNC(=O)[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000179193227 173307222 /nfs/dbraw/zinc/30/72/22/173307222.db2.gz QPTOOISTRFZWQE-SNVBAGLBSA-N 2 2 222.292 0.094 20 0 BCADLP CNC(=O)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000336275715 173310395 /nfs/dbraw/zinc/31/03/95/173310395.db2.gz DYHDIMYTFSWVQX-GFCCVEGCSA-N 2 2 233.315 0.579 20 0 BCADLP CNC(=O)c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000336275715 173310396 /nfs/dbraw/zinc/31/03/96/173310396.db2.gz DYHDIMYTFSWVQX-GFCCVEGCSA-N 2 2 233.315 0.579 20 0 BCADLP C[NH2+]C1CC[NH+](CC(=O)N(C)C2CC2)CC1 ZINC000049303554 173323301 /nfs/dbraw/zinc/32/33/01/173323301.db2.gz CRMGPILOZRPSSD-UHFFFAOYSA-N 2 2 225.336 0.291 20 0 BCADLP C[NH2+]CCC(=O)NCCCNc1cccc[nH+]1 ZINC000285860753 173339998 /nfs/dbraw/zinc/33/99/98/173339998.db2.gz YUVHMXPRQWUJIW-UHFFFAOYSA-N 2 2 236.319 0.609 20 0 BCADLP C[NH2+]CCC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000262335063 173340550 /nfs/dbraw/zinc/34/05/50/173340550.db2.gz HDSREXIPBGOORY-UHFFFAOYSA-N 2 2 246.314 0.603 20 0 BCADLP C[NH2+]CCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000285860962 173340575 /nfs/dbraw/zinc/34/05/75/173340575.db2.gz YYKBIHLOGJOXAJ-SNVBAGLBSA-N 2 2 224.308 0.245 20 0 BCADLP C[NH2+]CCC[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000309143424 173346117 /nfs/dbraw/zinc/34/61/17/173346117.db2.gz UHIOSMQNQWYQDV-LLVKDONJSA-N 3 2 201.358 0.901 20 0 BCADLP C[NH2+]CCC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000309143424 173346119 /nfs/dbraw/zinc/34/61/19/173346119.db2.gz UHIOSMQNQWYQDV-LLVKDONJSA-N 3 2 201.358 0.901 20 0 BCADLP C[NH2+]CC[N@H+](C)CCC(C)(C)C(=O)OC ZINC000336720004 173352523 /nfs/dbraw/zinc/35/25/23/173352523.db2.gz YQQFZRUZYYCOBR-UHFFFAOYSA-N 2 2 216.325 0.727 20 0 BCADLP C[NH2+]CC[N@@H+](C)CCC(C)(C)C(=O)OC ZINC000336720004 173352525 /nfs/dbraw/zinc/35/25/25/173352525.db2.gz YQQFZRUZYYCOBR-UHFFFAOYSA-N 2 2 216.325 0.727 20 0 BCADLP C[NH2+]C[C@@H](C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000086066248 173363328 /nfs/dbraw/zinc/36/33/28/173363328.db2.gz SIRKNDDBLGJQLD-ZJUUUORDSA-N 2 2 224.308 0.243 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000071147552 173369509 /nfs/dbraw/zinc/36/95/09/173369509.db2.gz HFEIIFZHMYEMEP-LBPRGKRZSA-N 2 2 239.363 0.540 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000071147552 173369511 /nfs/dbraw/zinc/36/95/11/173369511.db2.gz HFEIIFZHMYEMEP-LBPRGKRZSA-N 2 2 239.363 0.540 20 0 BCADLP C[NH2+]C[C@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000086065304 173374074 /nfs/dbraw/zinc/37/40/74/173374074.db2.gz PSELRLSYJMXVOT-JTQLQIEISA-N 2 2 224.308 0.245 20 0 BCADLP C[NH2+]C[C@H](C)CNc1[nH+]cnc2c1cnn2C ZINC000129561000 173375207 /nfs/dbraw/zinc/37/52/07/173375207.db2.gz UIKHDNNSBWOIHS-QMMMGPOBSA-N 2 2 234.307 0.631 20 0 BCADLP C[NH2+]C[C@H](C)C(=O)Nc1c[nH+]ccc1OC ZINC000237072463 173375617 /nfs/dbraw/zinc/37/56/17/173375617.db2.gz QXOOOXRTXMWYOL-QMMMGPOBSA-N 2 2 223.276 0.884 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC000040601222 173379205 /nfs/dbraw/zinc/37/92/05/173379205.db2.gz PLNFAOPHERBXHB-SNVBAGLBSA-N 2 2 213.325 0.006 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC000040601222 173379206 /nfs/dbraw/zinc/37/92/06/173379206.db2.gz PLNFAOPHERBXHB-SNVBAGLBSA-N 2 2 213.325 0.006 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCc1cnn(C)c1 ZINC000226428437 173379839 /nfs/dbraw/zinc/37/98/39/173379839.db2.gz DMHDMGYIQGHOSO-GFCCVEGCSA-N 2 2 222.336 0.646 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1CCc1cnn(C)c1 ZINC000226428437 173379842 /nfs/dbraw/zinc/37/98/42/173379842.db2.gz DMHDMGYIQGHOSO-GFCCVEGCSA-N 2 2 222.336 0.646 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cnc(C)cn2)C1 ZINC000061321546 173381438 /nfs/dbraw/zinc/38/14/38/173381438.db2.gz FDYFCXYXIXQECN-LLVKDONJSA-N 2 2 220.320 0.826 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cnc(C)cn2)C1 ZINC000061321546 173381439 /nfs/dbraw/zinc/38/14/39/173381439.db2.gz FDYFCXYXIXQECN-LLVKDONJSA-N 2 2 220.320 0.826 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC2CC2)C1 ZINC000070799999 173381945 /nfs/dbraw/zinc/38/19/45/173381945.db2.gz MIBNADIXQVPBFI-NXEZZACHSA-N 2 2 225.336 0.195 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(=O)NC2CC2)C1 ZINC000070799999 173381947 /nfs/dbraw/zinc/38/19/47/173381947.db2.gz MIBNADIXQVPBFI-NXEZZACHSA-N 2 2 225.336 0.195 20 0 BCADLP COCCC[N@H+](CCO)CCn1cc[nH+]c1 ZINC000189886501 174223260 /nfs/dbraw/zinc/22/32/60/174223260.db2.gz YIAKCHXONBMVLG-UHFFFAOYSA-N 2 2 227.308 0.214 20 0 BCADLP COCCC[N@@H+](CCO)CCn1cc[nH+]c1 ZINC000189886501 174223264 /nfs/dbraw/zinc/22/32/64/174223264.db2.gz YIAKCHXONBMVLG-UHFFFAOYSA-N 2 2 227.308 0.214 20 0 BCADLP COCCC[N@H+](CCOC)C[C@@H](C)[NH3+] ZINC000044412699 174224114 /nfs/dbraw/zinc/22/41/14/174224114.db2.gz YEOCVBGGDJTINC-SNVBAGLBSA-N 2 2 204.314 0.319 20 0 BCADLP COCCC[N@@H+](CCOC)C[C@@H](C)[NH3+] ZINC000044412699 174224116 /nfs/dbraw/zinc/22/41/16/174224116.db2.gz YEOCVBGGDJTINC-SNVBAGLBSA-N 2 2 204.314 0.319 20 0 BCADLP COCC[N@H+](C)CCC[NH2+]Cc1cncn1C ZINC000171128920 174275317 /nfs/dbraw/zinc/27/53/17/174275317.db2.gz MTFJKWOBRFWASU-UHFFFAOYSA-N 2 2 240.351 0.478 20 0 BCADLP COCC[N@@H+](C)CCC[NH2+]Cc1cncn1C ZINC000171128920 174275318 /nfs/dbraw/zinc/27/53/18/174275318.db2.gz MTFJKWOBRFWASU-UHFFFAOYSA-N 2 2 240.351 0.478 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309115991 174278482 /nfs/dbraw/zinc/27/84/82/174278482.db2.gz QTFXIHHYCUWRPS-NSHDSACASA-N 2 2 216.325 0.020 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309115991 174278483 /nfs/dbraw/zinc/27/84/83/174278483.db2.gz QTFXIHHYCUWRPS-NSHDSACASA-N 2 2 216.325 0.020 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000309115991 174278484 /nfs/dbraw/zinc/27/84/84/174278484.db2.gz QTFXIHHYCUWRPS-NSHDSACASA-N 2 2 216.325 0.020 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309115991 174278485 /nfs/dbraw/zinc/27/84/85/174278485.db2.gz QTFXIHHYCUWRPS-NSHDSACASA-N 2 2 216.325 0.020 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309115989 174278883 /nfs/dbraw/zinc/27/88/83/174278883.db2.gz QTFXIHHYCUWRPS-LLVKDONJSA-N 2 2 216.325 0.020 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309115989 174278885 /nfs/dbraw/zinc/27/88/85/174278885.db2.gz QTFXIHHYCUWRPS-LLVKDONJSA-N 2 2 216.325 0.020 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309115989 174278887 /nfs/dbraw/zinc/27/88/87/174278887.db2.gz QTFXIHHYCUWRPS-LLVKDONJSA-N 2 2 216.325 0.020 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309115989 174278889 /nfs/dbraw/zinc/27/88/89/174278889.db2.gz QTFXIHHYCUWRPS-LLVKDONJSA-N 2 2 216.325 0.020 20 0 BCADLP COCC[NH+](CCOC)CCn1cc[nH+]c1 ZINC000154070750 174295909 /nfs/dbraw/zinc/29/59/09/174295909.db2.gz GPTZDEDNWLHZML-UHFFFAOYSA-N 2 2 227.308 0.478 20 0 BCADLP COCC[NH+]1CCC([NH2+]CCF)CC1 ZINC000336664132 174305832 /nfs/dbraw/zinc/30/58/32/174305832.db2.gz UPQALRQVBIDEDD-UHFFFAOYSA-N 2 2 204.289 0.656 20 0 BCADLP COCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266943419 174310633 /nfs/dbraw/zinc/31/06/33/174310633.db2.gz RYFRWMXWLKQUKI-UHFFFAOYSA-N 2 2 224.308 0.189 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCC(C)(C)O)C1 ZINC000336775926 174313514 /nfs/dbraw/zinc/31/35/14/174313514.db2.gz DDKQKMYCPDWTBA-LLVKDONJSA-N 2 2 230.352 0.458 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)O)C1 ZINC000336775926 174313515 /nfs/dbraw/zinc/31/35/15/174313515.db2.gz DDKQKMYCPDWTBA-LLVKDONJSA-N 2 2 230.352 0.458 20 0 BCADLP COCC[NH2+]CC[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000228738084 174333846 /nfs/dbraw/zinc/33/38/46/174333846.db2.gz DEYDMURHHWMMPK-UHFFFAOYSA-N 2 2 248.330 0.889 20 0 BCADLP COCCOCC[N@@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000161217611 174354342 /nfs/dbraw/zinc/35/43/42/174354342.db2.gz STQXDTWLCKASFE-NEPJUHHUSA-N 2 2 246.351 0.088 20 0 BCADLP COCCOCC[N@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000161217611 174354343 /nfs/dbraw/zinc/35/43/43/174354343.db2.gz STQXDTWLCKASFE-NEPJUHHUSA-N 2 2 246.351 0.088 20 0 BCADLP COCCOCC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000377112478 174354510 /nfs/dbraw/zinc/35/45/10/174354510.db2.gz GACRGAINNPZJEG-CHWSQXEVSA-N 2 2 242.363 0.675 20 0 BCADLP COCCOCC[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000377112478 174354512 /nfs/dbraw/zinc/35/45/12/174354512.db2.gz GACRGAINNPZJEG-CHWSQXEVSA-N 2 2 242.363 0.675 20 0 BCADLP COCCOCC[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000377112478 174354514 /nfs/dbraw/zinc/35/45/14/174354514.db2.gz GACRGAINNPZJEG-CHWSQXEVSA-N 2 2 242.363 0.675 20 0 BCADLP COCCOCC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000377112478 174354515 /nfs/dbraw/zinc/35/45/15/174354515.db2.gz GACRGAINNPZJEG-CHWSQXEVSA-N 2 2 242.363 0.675 20 0 BCADLP COCCOCC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000377112479 174355200 /nfs/dbraw/zinc/35/52/00/174355200.db2.gz GACRGAINNPZJEG-OLZOCXBDSA-N 2 2 242.363 0.675 20 0 BCADLP COCCOCC[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000377112479 174355202 /nfs/dbraw/zinc/35/52/02/174355202.db2.gz GACRGAINNPZJEG-OLZOCXBDSA-N 2 2 242.363 0.675 20 0 BCADLP COCCOCC[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000377112479 174355204 /nfs/dbraw/zinc/35/52/04/174355204.db2.gz GACRGAINNPZJEG-OLZOCXBDSA-N 2 2 242.363 0.675 20 0 BCADLP COCCOCC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000377112479 174355205 /nfs/dbraw/zinc/35/52/05/174355205.db2.gz GACRGAINNPZJEG-OLZOCXBDSA-N 2 2 242.363 0.675 20 0 BCADLP COCCOCC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000308915801 174358217 /nfs/dbraw/zinc/35/82/17/174358217.db2.gz FVGUWZHALHDHRX-GHMZBOCLSA-N 2 2 216.325 0.189 20 0 BCADLP COCCOCC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000308915801 174358219 /nfs/dbraw/zinc/35/82/19/174358219.db2.gz FVGUWZHALHDHRX-GHMZBOCLSA-N 2 2 216.325 0.189 20 0 BCADLP COCCOC[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000309674665 174363542 /nfs/dbraw/zinc/36/35/42/174363542.db2.gz XJPZRBNEUAZXKB-WOPDTQHZSA-N 2 2 230.352 0.578 20 0 BCADLP COCCOC[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000309674665 174363544 /nfs/dbraw/zinc/36/35/44/174363544.db2.gz XJPZRBNEUAZXKB-WOPDTQHZSA-N 2 2 230.352 0.578 20 0 BCADLP COc1cc[nH+]cc1NC(=O)CCC[NH3+] ZINC000237113111 175375421 /nfs/dbraw/zinc/37/54/21/175375421.db2.gz ZQAZYTRMLCJDOH-UHFFFAOYSA-N 2 2 209.249 0.768 20 0 BCADLP COc1cc[nH+]cc1NC(=O)C1([NH3+])CC1 ZINC000237112700 175375487 /nfs/dbraw/zinc/37/54/87/175375487.db2.gz GLKWEMVTMGIICU-UHFFFAOYSA-N 2 2 207.233 0.520 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000192100017 175725653 /nfs/dbraw/zinc/72/56/53/175725653.db2.gz PGYBTHAQZFBGMK-GARJFASQSA-N 2 2 238.335 0.619 20 0 BCADLP C[C@@H]1CCCN(C(=O)C[NH+]2CCC([NH3+])CC2)C1 ZINC000037409000 176092373 /nfs/dbraw/zinc/09/23/73/176092373.db2.gz UEQRHKHHVRPOGF-LLVKDONJSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)[C@@H]1CO ZINC000189730877 176171888 /nfs/dbraw/zinc/17/18/88/176171888.db2.gz FZONMVFZMVXDQH-GHMZBOCLSA-N 2 2 209.293 0.586 20 0 BCADLP C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@@H]1CO ZINC000189730877 176171889 /nfs/dbraw/zinc/17/18/89/176171889.db2.gz FZONMVFZMVXDQH-GHMZBOCLSA-N 2 2 209.293 0.586 20 0 BCADLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000193599160 176183321 /nfs/dbraw/zinc/18/33/21/176183321.db2.gz JFXNHXHJENTHTF-GHMZBOCLSA-N 2 2 236.319 0.387 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000261543048 176185069 /nfs/dbraw/zinc/18/50/69/176185069.db2.gz CRDXNZAZNMXESR-MNOVXSKESA-N 2 2 236.319 0.387 20 0 BCADLP C[C@@H]1CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@@H](C)[NH2+]1 ZINC000360820060 176254273 /nfs/dbraw/zinc/25/42/73/176254273.db2.gz VCJYKWBORGCENV-HLTSFMKQSA-N 2 2 247.289 0.192 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCn1cccn1 ZINC000336781405 176271690 /nfs/dbraw/zinc/27/16/90/176271690.db2.gz UPPORKFBWCKVAG-NEPJUHHUSA-N 2 2 222.336 0.813 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCn1cccn1 ZINC000336781405 176271692 /nfs/dbraw/zinc/27/16/92/176271692.db2.gz UPPORKFBWCKVAG-NEPJUHHUSA-N 2 2 222.336 0.813 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](O)C1CCOCC1 ZINC000358164569 176273353 /nfs/dbraw/zinc/27/33/53/176273353.db2.gz ZCYIYRJMURZQQB-WXHSDQCUSA-N 2 2 242.363 0.314 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](O)C1CCOCC1 ZINC000358164569 176273354 /nfs/dbraw/zinc/27/33/54/176273354.db2.gz ZCYIYRJMURZQQB-WXHSDQCUSA-N 2 2 242.363 0.314 20 0 BCADLP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000309136744 176273487 /nfs/dbraw/zinc/27/34/87/176273487.db2.gz SDWGEJSFNVTGNY-MNOVXSKESA-N 2 2 208.309 0.423 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000309111666 176273708 /nfs/dbraw/zinc/27/37/08/176273708.db2.gz JXSCQCYNUYGIHM-RHYQMDGZSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000309111666 176273710 /nfs/dbraw/zinc/27/37/10/176273710.db2.gz JXSCQCYNUYGIHM-RHYQMDGZSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1O ZINC000348154923 176274682 /nfs/dbraw/zinc/27/46/82/176274682.db2.gz HHMJVPQJMCPFQY-WYUUTHIRSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1O ZINC000348154923 176274684 /nfs/dbraw/zinc/27/46/84/176274684.db2.gz HHMJVPQJMCPFQY-WYUUTHIRSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000309120697 176274865 /nfs/dbraw/zinc/27/48/65/176274865.db2.gz NPTPKMVLYHGDLP-YTWAJWBKSA-N 2 2 212.337 0.686 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000309120697 176274866 /nfs/dbraw/zinc/27/48/66/176274866.db2.gz NPTPKMVLYHGDLP-YTWAJWBKSA-N 2 2 212.337 0.686 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000309148912 176275213 /nfs/dbraw/zinc/27/52/13/176275213.db2.gz VYBWWGIRIFNOMA-KOLCDFICSA-N 2 2 208.309 0.460 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000309148912 176275214 /nfs/dbraw/zinc/27/52/14/176275214.db2.gz VYBWWGIRIFNOMA-KOLCDFICSA-N 2 2 208.309 0.460 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000309148913 176277017 /nfs/dbraw/zinc/27/70/17/176277017.db2.gz VYBWWGIRIFNOMA-MWLCHTKSSA-N 2 2 208.309 0.460 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000309148913 176277018 /nfs/dbraw/zinc/27/70/18/176277018.db2.gz VYBWWGIRIFNOMA-MWLCHTKSSA-N 2 2 208.309 0.460 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000336506042 176277750 /nfs/dbraw/zinc/27/77/50/176277750.db2.gz OZAJKTBKNFUXGS-DGCLKSJQSA-N 3 2 225.380 0.868 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000336506042 176277751 /nfs/dbraw/zinc/27/77/51/176277751.db2.gz OZAJKTBKNFUXGS-DGCLKSJQSA-N 3 2 225.380 0.868 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000358388147 176278373 /nfs/dbraw/zinc/27/83/73/176278373.db2.gz BTZZSYSIRLAEAZ-JFGNBEQYSA-N 2 2 237.347 0.289 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000358388147 176278374 /nfs/dbraw/zinc/27/83/74/176278374.db2.gz BTZZSYSIRLAEAZ-JFGNBEQYSA-N 2 2 237.347 0.289 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)C(F)F ZINC000309731586 176281599 /nfs/dbraw/zinc/28/15/99/176281599.db2.gz BFOGHLFFAUKLCI-QNSHHTMESA-N 2 2 234.290 0.685 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)C(F)F ZINC000309731586 176281600 /nfs/dbraw/zinc/28/16/00/176281600.db2.gz BFOGHLFFAUKLCI-QNSHHTMESA-N 2 2 234.290 0.685 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)C(F)F ZINC000309731251 176281647 /nfs/dbraw/zinc/28/16/47/176281647.db2.gz BFOGHLFFAUKLCI-JEZHCXPESA-N 2 2 234.290 0.685 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)C(F)F ZINC000309731251 176281648 /nfs/dbraw/zinc/28/16/48/176281648.db2.gz BFOGHLFFAUKLCI-JEZHCXPESA-N 2 2 234.290 0.685 20 0 BCADLP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000182614470 176289802 /nfs/dbraw/zinc/28/98/02/176289802.db2.gz GACVBCKHOKNFRO-LLVKDONJSA-N 2 2 209.293 0.994 20 0 BCADLP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000182614470 176289804 /nfs/dbraw/zinc/28/98/04/176289804.db2.gz GACVBCKHOKNFRO-LLVKDONJSA-N 2 2 209.293 0.994 20 0 BCADLP C[C@@H]1CN(CC[NH+]2CCOCC2)C[C@@H](C)[NH+]1C ZINC000336888925 176291054 /nfs/dbraw/zinc/29/10/54/176291054.db2.gz KYHWVXVYSUZIHH-CHWSQXEVSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1CN(CC[NH+]2CCOCC2)C[C@@H](C)[NH2+]1 ZINC000069629505 176291698 /nfs/dbraw/zinc/29/16/98/176291698.db2.gz ARTMIHJYZPBFDJ-VXGBXAGGSA-N 2 2 227.352 0.001 20 0 BCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)CCCO1 ZINC000336723967 176298832 /nfs/dbraw/zinc/29/88/32/176298832.db2.gz UIVJPMATMKSMMI-DGCLKSJQSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CCCO1 ZINC000336723967 176298834 /nfs/dbraw/zinc/29/88/34/176298834.db2.gz UIVJPMATMKSMMI-DGCLKSJQSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)CCCO1 ZINC000336723967 176298836 /nfs/dbraw/zinc/29/88/36/176298836.db2.gz UIVJPMATMKSMMI-DGCLKSJQSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CCCO1 ZINC000336723967 176298837 /nfs/dbraw/zinc/29/88/37/176298837.db2.gz UIVJPMATMKSMMI-DGCLKSJQSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000365335167 176327674 /nfs/dbraw/zinc/32/76/74/176327674.db2.gz TZLLVCUSMKCRBE-HRDYMLBCSA-N 2 2 247.289 0.098 20 0 BCADLP C[C@@H]1COCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336687600 176332691 /nfs/dbraw/zinc/33/26/91/176332691.db2.gz GNXLAQJPSNTOPU-AAEUAGOBSA-N 2 2 242.363 0.410 20 0 BCADLP C[C@@H]1COCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336687600 176332692 /nfs/dbraw/zinc/33/26/92/176332692.db2.gz GNXLAQJPSNTOPU-AAEUAGOBSA-N 2 2 242.363 0.410 20 0 BCADLP C[C@@H]1COCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000336687600 176332693 /nfs/dbraw/zinc/33/26/93/176332693.db2.gz GNXLAQJPSNTOPU-AAEUAGOBSA-N 2 2 242.363 0.410 20 0 BCADLP C[C@@H]1COCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336687600 176332694 /nfs/dbraw/zinc/33/26/94/176332694.db2.gz GNXLAQJPSNTOPU-AAEUAGOBSA-N 2 2 242.363 0.410 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000336754184 176342258 /nfs/dbraw/zinc/34/22/58/176342258.db2.gz IAFYEGPQCKPKME-WYUUTHIRSA-N 2 2 212.337 0.951 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000336754184 176342260 /nfs/dbraw/zinc/34/22/60/176342260.db2.gz IAFYEGPQCKPKME-WYUUTHIRSA-N 2 2 212.337 0.951 20 0 BCADLP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1C)[NH+](C)C ZINC000300871844 176344573 /nfs/dbraw/zinc/34/45/73/176344573.db2.gz PUGJGRRBFQEKJM-GMTAPVOTSA-N 2 2 200.326 0.951 20 0 BCADLP C[C@@H]1CSCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000336671385 176351470 /nfs/dbraw/zinc/35/14/70/176351470.db2.gz SFQUDCHYOLAZBG-ZYHUDNBSSA-N 2 2 244.404 0.879 20 0 BCADLP C[C@@H]1CSCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000336671385 176351471 /nfs/dbraw/zinc/35/14/71/176351471.db2.gz SFQUDCHYOLAZBG-ZYHUDNBSSA-N 2 2 244.404 0.879 20 0 BCADLP C[C@@H]1CSCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336671385 176351472 /nfs/dbraw/zinc/35/14/72/176351472.db2.gz SFQUDCHYOLAZBG-ZYHUDNBSSA-N 2 2 244.404 0.879 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(C)C2)C[N@@H+]1C1CC1 ZINC000336669704 176378941 /nfs/dbraw/zinc/37/89/41/176378941.db2.gz APEPACRCMPSPCN-GMTAPVOTSA-N 2 2 237.347 0.432 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(C)C2)C[N@H+]1C1CC1 ZINC000336669704 176378943 /nfs/dbraw/zinc/37/89/43/176378943.db2.gz APEPACRCMPSPCN-GMTAPVOTSA-N 2 2 237.347 0.432 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000309548683 177075627 /nfs/dbraw/zinc/07/56/27/177075627.db2.gz HMNAUGNOPXNJTA-MNOVXSKESA-N 2 2 227.352 0.714 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000309548683 177075629 /nfs/dbraw/zinc/07/56/29/177075629.db2.gz HMNAUGNOPXNJTA-MNOVXSKESA-N 2 2 227.352 0.714 20 0 BCADLP C[C@H]1CCC[N@H+](CC(=O)N2CCCC2)[C@@H]1C[NH3+] ZINC000043617022 177096900 /nfs/dbraw/zinc/09/69/00/177096900.db2.gz SSPZDWNISDDIQW-NWDGAFQWSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@H]1CCC[N@@H+](CC(=O)N2CCCC2)[C@@H]1C[NH3+] ZINC000043617022 177096901 /nfs/dbraw/zinc/09/69/01/177096901.db2.gz SSPZDWNISDDIQW-NWDGAFQWSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000071207231 177142123 /nfs/dbraw/zinc/14/21/23/177142123.db2.gz VWNVPBNXPORPAU-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP C[C@H]1CC[N@H+](CCO)C[C@@H]1n1cc[nH+]c1 ZINC000156533597 177159723 /nfs/dbraw/zinc/15/97/23/177159723.db2.gz KYCPOJGWDCWHAN-QWRGUYRKSA-N 2 2 209.293 0.758 20 0 BCADLP C[C@H]1CC[N@@H+](CCO)C[C@@H]1n1cc[nH+]c1 ZINC000156533597 177159725 /nfs/dbraw/zinc/15/97/25/177159725.db2.gz KYCPOJGWDCWHAN-QWRGUYRKSA-N 2 2 209.293 0.758 20 0 BCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[NH+](C)CC1 ZINC000120123554 177199337 /nfs/dbraw/zinc/19/93/37/177199337.db2.gz NBAAHHHYJDJAQG-RYUDHWBXSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1nccn1C ZINC000122716708 177233965 /nfs/dbraw/zinc/23/39/65/177233965.db2.gz UXWHPXDHVDSRNQ-QWRGUYRKSA-N 2 2 222.336 0.850 20 0 BCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1nccn1C ZINC000122716708 177233966 /nfs/dbraw/zinc/23/39/66/177233966.db2.gz UXWHPXDHVDSRNQ-QWRGUYRKSA-N 2 2 222.336 0.850 20 0 BCADLP C[C@H](C[S@](C)=O)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000308888057 177234934 /nfs/dbraw/zinc/23/49/34/177234934.db2.gz WLQRKMNZRVXMCV-DDIVZENXSA-N 2 2 232.393 0.683 20 0 BCADLP C[C@H](C[S@](C)=O)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000308888057 177234936 /nfs/dbraw/zinc/23/49/36/177234936.db2.gz WLQRKMNZRVXMCV-DDIVZENXSA-N 2 2 232.393 0.683 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCSCCCO ZINC000336768395 177236756 /nfs/dbraw/zinc/23/67/56/177236756.db2.gz UPZNUWJMPIDJDN-QWRGUYRKSA-N 2 2 232.393 0.642 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCSCCCO ZINC000336768395 177236757 /nfs/dbraw/zinc/23/67/57/177236757.db2.gz UPZNUWJMPIDJDN-QWRGUYRKSA-N 2 2 232.393 0.642 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCCCO ZINC000308658160 177237197 /nfs/dbraw/zinc/23/71/97/177237197.db2.gz OXQSRPWPLRBDPX-WDEREUQCSA-N 2 2 200.326 0.689 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCCCO ZINC000308658160 177237198 /nfs/dbraw/zinc/23/71/98/177237198.db2.gz OXQSRPWPLRBDPX-WDEREUQCSA-N 2 2 200.326 0.689 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1NCC[NH+]1CCCC1 ZINC000336750115 177237252 /nfs/dbraw/zinc/23/72/52/177237252.db2.gz FOSAQYNGIKIKBV-NWDGAFQWSA-N 2 2 211.353 0.622 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1NCC[NH+]1CCCC1 ZINC000336750115 177237253 /nfs/dbraw/zinc/23/72/53/177237253.db2.gz FOSAQYNGIKIKBV-NWDGAFQWSA-N 2 2 211.353 0.622 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1=CC[NH+](C)CC1 ZINC000335605721 177237693 /nfs/dbraw/zinc/23/76/93/177237693.db2.gz FPTCYSPKGIFOKC-WCQYABFASA-N 3 2 223.364 0.788 20 0 BCADLP C[C@H]1C[NH+](C)C[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000335605721 177237695 /nfs/dbraw/zinc/23/76/95/177237695.db2.gz FPTCYSPKGIFOKC-WCQYABFASA-N 3 2 223.364 0.788 20 0 BCADLP C[C@H]1C[NH+](C)C[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335605721 177237697 /nfs/dbraw/zinc/23/76/97/177237697.db2.gz FPTCYSPKGIFOKC-WCQYABFASA-N 3 2 223.364 0.788 20 0 BCADLP C[C@@H]1CN(Cc2c[nH+]cn2C)[C@@H](C)C[N@@H+]1C ZINC000336436986 177239890 /nfs/dbraw/zinc/23/98/90/177239890.db2.gz GFHMYWDYIHVBJF-MNOVXSKESA-N 2 2 222.336 0.945 20 0 BCADLP C[C@@H]1CN(Cc2c[nH+]cn2C)[C@@H](C)C[N@H+]1C ZINC000336436986 177239891 /nfs/dbraw/zinc/23/98/91/177239891.db2.gz GFHMYWDYIHVBJF-MNOVXSKESA-N 2 2 222.336 0.945 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(O)CCC1 ZINC000309815239 177240322 /nfs/dbraw/zinc/24/03/22/177240322.db2.gz VDHAIPNPUBGZGL-JQWIXIFHSA-N 2 2 224.348 0.974 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(O)CCC1 ZINC000309815239 177240323 /nfs/dbraw/zinc/24/03/23/177240323.db2.gz VDHAIPNPUBGZGL-JQWIXIFHSA-N 2 2 224.348 0.974 20 0 BCADLP C[C@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@H]1O ZINC000343581644 177250909 /nfs/dbraw/zinc/25/09/09/177250909.db2.gz MTBIATNMZYNGNA-WDEREUQCSA-N 2 2 209.293 0.586 20 0 BCADLP C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@H]1O ZINC000343581644 177250910 /nfs/dbraw/zinc/25/09/10/177250910.db2.gz MTBIATNMZYNGNA-WDEREUQCSA-N 2 2 209.293 0.586 20 0 BCADLP C[C@@H]1CN(CC[NH+]2CCOCC2)C[C@H](C)[N@H+]1C ZINC000336888924 177251018 /nfs/dbraw/zinc/25/10/18/177251018.db2.gz KYHWVXVYSUZIHH-BETUJISGSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1CN(CC[NH+]2CCOCC2)C[C@H](C)[N@@H+]1C ZINC000336888924 177251020 /nfs/dbraw/zinc/25/10/20/177251020.db2.gz KYHWVXVYSUZIHH-BETUJISGSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1C[NH2+][C@@H](C)CN1CC[NH+]1CCOCC1 ZINC000062613181 177251741 /nfs/dbraw/zinc/25/17/41/177251741.db2.gz QTIQQPQATFVVHD-NWDGAFQWSA-N 2 2 227.352 0.001 20 0 BCADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)C[C@H]1CO ZINC000362091222 177255854 /nfs/dbraw/zinc/25/58/54/177255854.db2.gz SIXJKWVKOIAUTO-QWRGUYRKSA-N 2 2 209.293 0.443 20 0 BCADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@H]1CO ZINC000362091222 177255856 /nfs/dbraw/zinc/25/58/56/177255856.db2.gz SIXJKWVKOIAUTO-QWRGUYRKSA-N 2 2 209.293 0.443 20 0 BCADLP C[C@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CCCO1 ZINC000336723963 177257114 /nfs/dbraw/zinc/25/71/14/177257114.db2.gz UIVJPMATMKSMMI-AAEUAGOBSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CCCO1 ZINC000336723963 177257116 /nfs/dbraw/zinc/25/71/16/177257116.db2.gz UIVJPMATMKSMMI-AAEUAGOBSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CCCO1 ZINC000336723963 177257118 /nfs/dbraw/zinc/25/71/18/177257118.db2.gz UIVJPMATMKSMMI-AAEUAGOBSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CCCO1 ZINC000336723963 177257120 /nfs/dbraw/zinc/25/71/20/177257120.db2.gz UIVJPMATMKSMMI-AAEUAGOBSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H]1COCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000271806396 177291081 /nfs/dbraw/zinc/29/10/81/177291081.db2.gz MMFVXWRQLGUCLQ-NSHDSACASA-N 2 2 209.293 0.994 20 0 BCADLP C[C@H]1COCC[N@H+]1CCCn1cc[nH+]c1 ZINC000271806396 177291084 /nfs/dbraw/zinc/29/10/84/177291084.db2.gz MMFVXWRQLGUCLQ-NSHDSACASA-N 2 2 209.293 0.994 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCCCO)C[N@@H+]1C1CC1 ZINC000193280348 177331134 /nfs/dbraw/zinc/33/11/34/177331134.db2.gz YWOBIYOIRABWFP-WDEREUQCSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCCCO)C[N@H+]1C1CC1 ZINC000193280348 177331135 /nfs/dbraw/zinc/33/11/35/177331135.db2.gz YWOBIYOIRABWFP-WDEREUQCSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@H]1C[C@H](NCC[NH+]2CCC2)CC[N@@H+]1C ZINC000309098291 177369150 /nfs/dbraw/zinc/36/91/50/177369150.db2.gz DOYRWRDJQGZENF-NWDGAFQWSA-N 2 2 211.353 0.764 20 0 BCADLP C[C@H]1C[C@H](O)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000343632264 177373903 /nfs/dbraw/zinc/37/39/03/177373903.db2.gz RWUPKSYGOHTVRF-QWRGUYRKSA-N 2 2 209.293 0.728 20 0 BCADLP C[C@H]1C[C@H](O)C[N@H+]1CCCn1cc[nH+]c1 ZINC000343632264 177373904 /nfs/dbraw/zinc/37/39/04/177373904.db2.gz RWUPKSYGOHTVRF-QWRGUYRKSA-N 2 2 209.293 0.728 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cnc2cnccn12 ZINC000333122942 177395218 /nfs/dbraw/zinc/39/52/18/177395218.db2.gz IOJYLDBAAFLLFT-PWSUYJOCSA-N 2 2 245.330 0.959 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000335593284 177395647 /nfs/dbraw/zinc/39/56/47/177395647.db2.gz AGWFFXHNJDSZRU-PSASIEDQSA-N 2 2 222.292 0.414 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000335593284 177395649 /nfs/dbraw/zinc/39/56/49/177395649.db2.gz AGWFFXHNJDSZRU-PSASIEDQSA-N 2 2 222.292 0.414 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000342716606 177395907 /nfs/dbraw/zinc/39/59/07/177395907.db2.gz DCMFTBLLXHYIPJ-NXEZZACHSA-N 2 2 236.319 0.457 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261819178 177530874 /nfs/dbraw/zinc/53/08/74/177530874.db2.gz NZKWIKVYOODRHC-NXEZZACHSA-N 2 2 236.319 0.709 20 0 BCADLP CCn1cnnc1CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000674882781 487643181 /nfs/dbraw/zinc/64/31/81/487643181.db2.gz YOPOZRNNBOGBQP-GHMZBOCLSA-N 2 2 237.351 0.380 20 0 BCADLP CCn1cnnc1CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000674882781 487643187 /nfs/dbraw/zinc/64/31/87/487643187.db2.gz YOPOZRNNBOGBQP-GHMZBOCLSA-N 2 2 237.351 0.380 20 0 BCADLP C[NH+](C)C/C=C\C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000492720910 226042505 /nfs/dbraw/zinc/04/25/05/226042505.db2.gz RCSOPRCRAHYKJI-BYCRGOAPSA-N 2 2 248.330 0.432 20 0 BCADLP C[NH+](C)C[C@H]1CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492871258 226071623 /nfs/dbraw/zinc/07/16/23/226071623.db2.gz WYJGSYWPBUVEKN-FOQNGQEVSA-N 2 2 248.330 0.976 20 0 BCADLP O=C(C=Cc1c[nH]c[nH+]1)N1CC[NH+](C2CC2)CC1 ZINC000492896955 226077430 /nfs/dbraw/zinc/07/74/30/226077430.db2.gz JPDNMSGVHPSLDY-RJRFIUFISA-N 2 2 246.314 0.730 20 0 BCADLP C[NH+](C)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492982744 226096717 /nfs/dbraw/zinc/09/67/17/226096717.db2.gz LHESUCWSCSJJCD-PLNGDYQASA-N 2 2 222.292 0.491 20 0 BCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493213291 226157003 /nfs/dbraw/zinc/15/70/03/226157003.db2.gz DFYXGGBVGHOBRO-HMDXOVGESA-N 2 2 234.303 0.585 20 0 BCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493213291 226157006 /nfs/dbraw/zinc/15/70/06/226157006.db2.gz DFYXGGBVGHOBRO-HMDXOVGESA-N 2 2 234.303 0.585 20 0 BCADLP C[NH+](C)[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000493265243 226169834 /nfs/dbraw/zinc/16/98/34/226169834.db2.gz MNLSPONUDLPVBN-FOQNGQEVSA-N 2 2 248.330 0.879 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)/C=C\C[NH+](C)C ZINC000493748247 226252165 /nfs/dbraw/zinc/25/21/65/226252165.db2.gz QJHYTGRFBMUEJL-PLNGDYQASA-N 2 2 222.292 0.154 20 0 BCADLP Cn1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC000494424343 226265239 /nfs/dbraw/zinc/26/52/39/226265239.db2.gz IBNMJKGSENPGKV-LLVKDONJSA-N 2 2 231.303 0.721 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@H+](CC[C@@H]2CCCO2)CCO1 ZINC000169174346 487650236 /nfs/dbraw/zinc/65/02/36/487650236.db2.gz VGUNDRFNMZUTFS-SDDRHHMPSA-N 2 2 228.336 0.604 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CC[C@@H]2CCCO2)CCO1 ZINC000169174346 487650243 /nfs/dbraw/zinc/65/02/43/487650243.db2.gz VGUNDRFNMZUTFS-SDDRHHMPSA-N 2 2 228.336 0.604 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226029496 487653385 /nfs/dbraw/zinc/65/33/85/487653385.db2.gz BGCHTDGFVWDEPS-VHSXEESVSA-N 2 2 213.325 0.182 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226029496 487653389 /nfs/dbraw/zinc/65/33/89/487653389.db2.gz BGCHTDGFVWDEPS-VHSXEESVSA-N 2 2 213.325 0.182 20 0 BCADLP C[C@@H]1CC[C@H](C)N1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653103483 487678382 /nfs/dbraw/zinc/67/83/82/487678382.db2.gz IUTDUOZIZIDKHE-OUAUKWLOSA-N 2 2 227.352 0.665 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCC(C)(C)F ZINC000662662401 487687765 /nfs/dbraw/zinc/68/77/65/487687765.db2.gz FKQIQSXWDCPQFU-VIFPVBQESA-N 2 2 233.331 0.520 20 0 BCADLP CC[N@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000249828129 487725015 /nfs/dbraw/zinc/72/50/15/487725015.db2.gz NXZCDKXANSFFCB-QWRGUYRKSA-N 2 2 246.376 0.105 20 0 BCADLP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000249828129 487725019 /nfs/dbraw/zinc/72/50/19/487725019.db2.gz NXZCDKXANSFFCB-QWRGUYRKSA-N 2 2 246.376 0.105 20 0 BCADLP C[N@H+](C[C@H]1CCCOC1)C[C@H]1C[NH2+]CCO1 ZINC000250427829 487732034 /nfs/dbraw/zinc/73/20/34/487732034.db2.gz QKFYWLJQYRMAOW-VXGBXAGGSA-N 2 2 228.336 0.333 20 0 BCADLP C[N@@H+](C[C@H]1CCCOC1)C[C@H]1C[NH2+]CCO1 ZINC000250427829 487732036 /nfs/dbraw/zinc/73/20/36/487732036.db2.gz QKFYWLJQYRMAOW-VXGBXAGGSA-N 2 2 228.336 0.333 20 0 BCADLP CC(C)[NH+]1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000666142427 487740363 /nfs/dbraw/zinc/74/03/63/487740363.db2.gz BIKABGSJFBPVED-UHFFFAOYSA-N 2 2 239.363 0.633 20 0 BCADLP CC(C)[C@H](C(=O)NCc1c[nH+]c[nH]1)[C@@H](C)[NH3+] ZINC000399591458 487748493 /nfs/dbraw/zinc/74/84/93/487748493.db2.gz QSNUELARAFYYGA-SCZZXKLOSA-N 2 2 224.308 0.645 20 0 BCADLP CC(C)[C@H](C(=O)NCc1c[nH]c[nH+]1)[C@@H](C)[NH3+] ZINC000399591458 487748496 /nfs/dbraw/zinc/74/84/96/487748496.db2.gz QSNUELARAFYYGA-SCZZXKLOSA-N 2 2 224.308 0.645 20 0 BCADLP CC(C)[C@@H](C(=O)NCc1c[nH+]c[nH]1)[C@H](C)[NH3+] ZINC000399591459 487748711 /nfs/dbraw/zinc/74/87/11/487748711.db2.gz QSNUELARAFYYGA-WCBMZHEXSA-N 2 2 224.308 0.645 20 0 BCADLP CC(C)[C@@H](C(=O)NCc1c[nH]c[nH+]1)[C@H](C)[NH3+] ZINC000399591459 487748717 /nfs/dbraw/zinc/74/87/17/487748717.db2.gz QSNUELARAFYYGA-WCBMZHEXSA-N 2 2 224.308 0.645 20 0 BCADLP CCc1nn(C)cc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000234138733 487762880 /nfs/dbraw/zinc/76/28/80/487762880.db2.gz XKLLMWVDOXXVRS-NSHDSACASA-N 2 2 222.336 0.824 20 0 BCADLP CC[C@@H](C)C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000054472517 487764058 /nfs/dbraw/zinc/76/40/58/487764058.db2.gz SKTHMWVJCJKCMF-LLVKDONJSA-N 2 2 227.352 0.396 20 0 BCADLP CC[C@@H]1C[N@H+](Cc2nccn2C)CC[C@H]1[NH3+] ZINC000251572757 487771060 /nfs/dbraw/zinc/77/10/60/487771060.db2.gz BYENLLBQTHDVJA-GHMZBOCLSA-N 2 2 222.336 0.979 20 0 BCADLP CC[C@@H]1C[N@@H+](Cc2nccn2C)CC[C@H]1[NH3+] ZINC000251572757 487771064 /nfs/dbraw/zinc/77/10/64/487771064.db2.gz BYENLLBQTHDVJA-GHMZBOCLSA-N 2 2 222.336 0.979 20 0 BCADLP CC[C@@H]1CN(Cc2[nH+]ccn2C)CC[C@H]1[NH3+] ZINC000251572757 487771066 /nfs/dbraw/zinc/77/10/66/487771066.db2.gz BYENLLBQTHDVJA-GHMZBOCLSA-N 2 2 222.336 0.979 20 0 BCADLP CC[C@H]1C[N@H+](Cc2cn(C)nn2)CC[C@H]1[NH3+] ZINC000300215107 487772265 /nfs/dbraw/zinc/77/22/65/487772265.db2.gz KFQNOAKUSIDPPP-GXSJLCMTSA-N 2 2 223.324 0.374 20 0 BCADLP CC[C@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@H]1[NH3+] ZINC000300215107 487772268 /nfs/dbraw/zinc/77/22/68/487772268.db2.gz KFQNOAKUSIDPPP-GXSJLCMTSA-N 2 2 223.324 0.374 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCOC1 ZINC000309219982 487780435 /nfs/dbraw/zinc/78/04/35/487780435.db2.gz GKRGUONRNCOCCT-NWDGAFQWSA-N 2 2 230.352 0.408 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCOC1 ZINC000309219982 487780442 /nfs/dbraw/zinc/78/04/42/487780442.db2.gz GKRGUONRNCOCCT-NWDGAFQWSA-N 2 2 230.352 0.408 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CCOC1 ZINC000309219982 487780447 /nfs/dbraw/zinc/78/04/47/487780447.db2.gz GKRGUONRNCOCCT-NWDGAFQWSA-N 2 2 230.352 0.408 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CCOC1 ZINC000309219982 487780450 /nfs/dbraw/zinc/78/04/50/487780450.db2.gz GKRGUONRNCOCCT-NWDGAFQWSA-N 2 2 230.352 0.408 20 0 BCADLP C[C@@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)CC(C)(C)O1 ZINC000251646238 487781116 /nfs/dbraw/zinc/78/11/16/487781116.db2.gz JNBLWOULTCBLFA-GHMZBOCLSA-N 2 2 228.336 0.474 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)CC(C)(C)O1 ZINC000251646238 487781121 /nfs/dbraw/zinc/78/11/21/487781121.db2.gz JNBLWOULTCBLFA-GHMZBOCLSA-N 2 2 228.336 0.474 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCOCC1 ZINC000309213616 487780765 /nfs/dbraw/zinc/78/07/65/487780765.db2.gz FATLLGZKJMSOOA-GFCCVEGCSA-N 2 2 230.352 0.410 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCOCC1 ZINC000309213616 487780767 /nfs/dbraw/zinc/78/07/67/487780767.db2.gz FATLLGZKJMSOOA-GFCCVEGCSA-N 2 2 230.352 0.410 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCOCC1 ZINC000309213616 487780772 /nfs/dbraw/zinc/78/07/72/487780772.db2.gz FATLLGZKJMSOOA-GFCCVEGCSA-N 2 2 230.352 0.410 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCOCC1 ZINC000309213616 487780783 /nfs/dbraw/zinc/78/07/83/487780783.db2.gz FATLLGZKJMSOOA-GFCCVEGCSA-N 2 2 230.352 0.410 20 0 BCADLP C[C@@H]1CCC[N@H+](CC(=O)N(C)C2CC2)[C@H]1C[NH3+] ZINC000252089498 487814316 /nfs/dbraw/zinc/81/43/16/487814316.db2.gz DJEOXCKSURQNKW-PWSUYJOCSA-N 2 2 239.363 0.666 20 0 BCADLP C[C@@H]1CCC[N@@H+](CC(=O)N(C)C2CC2)[C@H]1C[NH3+] ZINC000252089498 487814320 /nfs/dbraw/zinc/81/43/20/487814320.db2.gz DJEOXCKSURQNKW-PWSUYJOCSA-N 2 2 239.363 0.666 20 0 BCADLP C[C@@H]1CCCN(Cc2[nH+]ccn2C)[C@H]1C[NH3+] ZINC000252100919 487815456 /nfs/dbraw/zinc/81/54/56/487815456.db2.gz GFSAIZUZSFSEAE-MNOVXSKESA-N 2 2 222.336 0.979 20 0 BCADLP C[C@H]1CCCN(Cc2c[nH+]cn2C)[C@H]1C[NH3+] ZINC000252107428 487815991 /nfs/dbraw/zinc/81/59/91/487815991.db2.gz HGLNFLSAZSXMSQ-JQWIXIFHSA-N 2 2 222.336 0.979 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnnn1C ZINC000394841886 487816763 /nfs/dbraw/zinc/81/67/63/487816763.db2.gz GGHPGWLAVRVMJJ-IUCAKERBSA-N 2 2 209.297 0.127 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnnn1C ZINC000394841886 487816766 /nfs/dbraw/zinc/81/67/66/487816766.db2.gz GGHPGWLAVRVMJJ-IUCAKERBSA-N 2 2 209.297 0.127 20 0 BCADLP CC(C)CN1CC[N@H+](CCC[NH3+])[C@@H](C)C1=O ZINC000414750137 487821277 /nfs/dbraw/zinc/82/12/77/487821277.db2.gz ZMNYXAXHXFUKGV-NSHDSACASA-N 2 2 227.352 0.524 20 0 BCADLP CC(C)CN1CC[N@@H+](CCC[NH3+])[C@@H](C)C1=O ZINC000414750137 487821282 /nfs/dbraw/zinc/82/12/82/487821282.db2.gz ZMNYXAXHXFUKGV-NSHDSACASA-N 2 2 227.352 0.524 20 0 BCADLP O=C1NCC[C@H]1[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676240280 487828241 /nfs/dbraw/zinc/82/82/41/487828241.db2.gz KYMGYKQEYIMZPC-GHMZBOCLSA-N 2 2 234.303 0.409 20 0 BCADLP O=C1NCC[C@H]1[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676240280 487828247 /nfs/dbraw/zinc/82/82/47/487828247.db2.gz KYMGYKQEYIMZPC-GHMZBOCLSA-N 2 2 234.303 0.409 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@H+](CC[C@H]2CCCO2)CCO1 ZINC000252690531 487828839 /nfs/dbraw/zinc/82/88/39/487828839.db2.gz VGUNDRFNMZUTFS-QJPTWQEYSA-N 2 2 228.336 0.604 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CC[C@H]2CCCO2)CCO1 ZINC000252690531 487828844 /nfs/dbraw/zinc/82/88/44/487828844.db2.gz VGUNDRFNMZUTFS-QJPTWQEYSA-N 2 2 228.336 0.604 20 0 BCADLP C[N@H+](CC[S@@](C)=O)C[C@@H]1CCC[NH+](C)C1 ZINC000827878463 587407053 /nfs/dbraw/zinc/40/70/53/587407053.db2.gz WUXYTDZKRBGIKC-IAQYHMDHSA-N 2 2 232.393 0.639 20 0 BCADLP C[N@@H+](CC[S@@](C)=O)C[C@@H]1CCC[NH+](C)C1 ZINC000827878463 587407054 /nfs/dbraw/zinc/40/70/54/587407054.db2.gz WUXYTDZKRBGIKC-IAQYHMDHSA-N 2 2 232.393 0.639 20 0 BCADLP C[NH+](CC[S@@](C)=O)C[C@@H]1CCC[N@H+](C)C1 ZINC000827878463 587407055 /nfs/dbraw/zinc/40/70/55/587407055.db2.gz WUXYTDZKRBGIKC-IAQYHMDHSA-N 2 2 232.393 0.639 20 0 BCADLP C[NH+](CC[S@@](C)=O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000827878463 587407056 /nfs/dbraw/zinc/40/70/56/587407056.db2.gz WUXYTDZKRBGIKC-IAQYHMDHSA-N 2 2 232.393 0.639 20 0 BCADLP C[NH2+]CCN(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000415375629 487842383 /nfs/dbraw/zinc/84/23/83/487842383.db2.gz FKZFREGEXKNOFT-UHFFFAOYSA-N 2 2 222.292 0.495 20 0 BCADLP COCC[N@H+](CCF)CCn1cc[nH+]c1 ZINC000852481376 588684271 /nfs/dbraw/zinc/68/42/71/588684271.db2.gz MGJBSSYTEBNZAL-UHFFFAOYSA-N 2 2 215.272 0.801 20 0 BCADLP COCC[N@@H+](CCF)CCn1cc[nH+]c1 ZINC000852481376 588684272 /nfs/dbraw/zinc/68/42/72/588684272.db2.gz MGJBSSYTEBNZAL-UHFFFAOYSA-N 2 2 215.272 0.801 20 0 BCADLP [NH3+]CC[N@H+](CCO)CCCC1CCC1 ZINC000852746858 588698841 /nfs/dbraw/zinc/69/88/41/588698841.db2.gz SFLHNHCWMAWVLO-UHFFFAOYSA-N 2 2 200.326 0.820 20 0 BCADLP [NH3+]CC[N@@H+](CCO)CCCC1CCC1 ZINC000852746858 588698842 /nfs/dbraw/zinc/69/88/42/588698842.db2.gz SFLHNHCWMAWVLO-UHFFFAOYSA-N 2 2 200.326 0.820 20 0 BCADLP [NH3+]CCC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000666627545 487848223 /nfs/dbraw/zinc/84/82/23/487848223.db2.gz ATDONKSHOXSSBJ-SNVBAGLBSA-N 2 2 208.309 0.938 20 0 BCADLP [NH3+]CCC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000666627545 487848226 /nfs/dbraw/zinc/84/82/26/487848226.db2.gz ATDONKSHOXSSBJ-SNVBAGLBSA-N 2 2 208.309 0.938 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCC1(C)CC1 ZINC000653160679 487867470 /nfs/dbraw/zinc/86/74/70/487867470.db2.gz RVAJAIDEALORJZ-JTQLQIEISA-N 2 2 227.352 0.572 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@H]1CC[NH2+][C@H](C)C1 ZINC000663238757 487879718 /nfs/dbraw/zinc/87/97/18/487879718.db2.gz CUPPDQHGMVVWRX-SFYZADRCSA-N 2 2 237.307 0.620 20 0 BCADLP COc1c(N)nc[nH+]c1N[C@H]1CC[NH2+][C@H](C)C1 ZINC000663238757 487879722 /nfs/dbraw/zinc/87/97/22/487879722.db2.gz CUPPDQHGMVVWRX-SFYZADRCSA-N 2 2 237.307 0.620 20 0 BCADLP FC1(F)CC(C[NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925672324 646402987 /nfs/dbraw/zinc/40/29/87/646402987.db2.gz HIPBEMZQWFAEFH-VIFPVBQESA-N 2 2 220.263 0.610 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666948178 487912330 /nfs/dbraw/zinc/91/23/30/487912330.db2.gz TXVHYWAVBMOCDR-VWYCJHECSA-N 2 2 226.299 0.561 20 0 BCADLP [NH3+]CC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652364131 487932997 /nfs/dbraw/zinc/93/29/97/487932997.db2.gz ZBIBWFNUHDGDTP-QJPTWQEYSA-N 2 2 227.352 0.306 20 0 BCADLP [NH3+]CC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652364131 487933002 /nfs/dbraw/zinc/93/30/02/487933002.db2.gz ZBIBWFNUHDGDTP-QJPTWQEYSA-N 2 2 227.352 0.306 20 0 BCADLP C[C@H]([NH3+])CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000667120579 487941370 /nfs/dbraw/zinc/94/13/70/487941370.db2.gz QBXBCVSPUQNRJH-QMMMGPOBSA-N 2 2 233.275 0.803 20 0 BCADLP Cn1cc[nH+]c1CN1CC[NH2+]CC1(C)C ZINC000083842728 487943219 /nfs/dbraw/zinc/94/32/19/487943219.db2.gz GMWFTLJQZHURQF-UHFFFAOYSA-N 2 2 208.309 0.604 20 0 BCADLP CCCCNC(=O)C[N@H+](C)CCC[NH3+] ZINC000049279963 487945777 /nfs/dbraw/zinc/94/57/77/487945777.db2.gz ROQNOBRFWMFNFS-UHFFFAOYSA-N 2 2 201.314 0.183 20 0 BCADLP CCCCNC(=O)C[N@@H+](C)CCC[NH3+] ZINC000049279963 487945778 /nfs/dbraw/zinc/94/57/78/487945778.db2.gz ROQNOBRFWMFNFS-UHFFFAOYSA-N 2 2 201.314 0.183 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661704433 487948621 /nfs/dbraw/zinc/94/86/21/487948621.db2.gz PJYRHFWYXMVMLU-WCQYABFASA-N 2 2 235.331 0.931 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661704433 487948623 /nfs/dbraw/zinc/94/86/23/487948623.db2.gz PJYRHFWYXMVMLU-WCQYABFASA-N 2 2 235.331 0.931 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000569458462 322966842 /nfs/dbraw/zinc/96/68/42/322966842.db2.gz LQYNWZKGKICNSM-MFKMUULPSA-N 2 2 248.330 0.378 20 0 BCADLP CCO[C@H]1C[C@H]1[NH2+]C1CC[NH+](CCOC)CC1 ZINC000562487880 323021746 /nfs/dbraw/zinc/02/17/46/323021746.db2.gz QXCNQZSGLHDGTC-OLZOCXBDSA-N 2 2 242.363 0.864 20 0 BCADLP Cc1cc(NC(=O)CC(F)(F)C[NH3+])cc[nH+]1 ZINC000565147093 323032541 /nfs/dbraw/zinc/03/25/41/323032541.db2.gz IBKQKLVRJYLFGD-UHFFFAOYSA-N 2 2 229.230 0.735 20 0 BCADLP C[C@H](CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)n1cc[nH+]c1 ZINC000565151088 323032943 /nfs/dbraw/zinc/03/29/43/323032943.db2.gz PNDNIRBAZVHTLJ-SVDPJWKOSA-N 2 2 234.303 0.168 20 0 BCADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCCO)CC1 ZINC000572971736 323037680 /nfs/dbraw/zinc/03/76/80/323037680.db2.gz IQUCSNUMXYIKGW-LBPRGKRZSA-N 2 2 242.363 0.554 20 0 BCADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCCO)CC1 ZINC000572971736 323037681 /nfs/dbraw/zinc/03/76/81/323037681.db2.gz IQUCSNUMXYIKGW-LBPRGKRZSA-N 2 2 242.363 0.554 20 0 BCADLP Cn1c[nH+]c(CC[NH2+]CC2(O)CCC2)c1 ZINC000570037944 323047896 /nfs/dbraw/zinc/04/78/96/323047896.db2.gz NFBDPMOPPJGMSJ-UHFFFAOYSA-N 2 2 209.293 0.467 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]C2CCC2)C[C@H](C)O1 ZINC000570272993 323054512 /nfs/dbraw/zinc/05/45/12/323054512.db2.gz LLMXJKLRKLQVQV-LOWVWBTDSA-N 2 2 242.363 0.599 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]C2CCC2)C[C@H](C)O1 ZINC000570272993 323054513 /nfs/dbraw/zinc/05/45/13/323054513.db2.gz LLMXJKLRKLQVQV-LOWVWBTDSA-N 2 2 242.363 0.599 20 0 BCADLP COCC[N@H+](C)CC[NH2+]CC1(O)CCC1 ZINC000570508711 323061697 /nfs/dbraw/zinc/06/16/97/323061697.db2.gz HNBGBVLROBSPLD-UHFFFAOYSA-N 2 2 216.325 0.069 20 0 BCADLP COCC[N@@H+](C)CC[NH2+]CC1(O)CCC1 ZINC000570508711 323061698 /nfs/dbraw/zinc/06/16/98/323061698.db2.gz HNBGBVLROBSPLD-UHFFFAOYSA-N 2 2 216.325 0.069 20 0 BCADLP CCn1ncnc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000570582849 323063999 /nfs/dbraw/zinc/06/39/99/323063999.db2.gz LITWXUYTHXTIEX-UWVGGRQHSA-N 2 2 223.324 0.658 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H]1COC ZINC000570812622 323071233 /nfs/dbraw/zinc/07/12/33/323071233.db2.gz FKHRBDSDJHRTOK-WDEREUQCSA-N 2 2 216.325 0.020 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H]1COC ZINC000570812622 323071234 /nfs/dbraw/zinc/07/12/34/323071234.db2.gz FKHRBDSDJHRTOK-WDEREUQCSA-N 2 2 216.325 0.020 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H]1COC ZINC000570812622 323071235 /nfs/dbraw/zinc/07/12/35/323071235.db2.gz FKHRBDSDJHRTOK-WDEREUQCSA-N 2 2 216.325 0.020 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H]1COC ZINC000570812622 323071236 /nfs/dbraw/zinc/07/12/36/323071236.db2.gz FKHRBDSDJHRTOK-WDEREUQCSA-N 2 2 216.325 0.020 20 0 BCADLP C[NH+](C)[C@@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493193523 323085568 /nfs/dbraw/zinc/08/55/68/323085568.db2.gz SQRHAUSEKCEHEI-HMDXOVGESA-N 2 2 234.303 0.585 20 0 BCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000040487177 323089957 /nfs/dbraw/zinc/08/99/57/323089957.db2.gz XQEVGOFTPCKMSZ-MXWKQRLJSA-N 2 2 238.335 0.761 20 0 BCADLP Cn1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000563134970 323094600 /nfs/dbraw/zinc/09/46/00/323094600.db2.gz BIPCYMAKOPWGLR-CYBMUJFWSA-N 2 2 234.347 0.996 20 0 BCADLP Cn1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000563134970 323094601 /nfs/dbraw/zinc/09/46/01/323094601.db2.gz BIPCYMAKOPWGLR-CYBMUJFWSA-N 2 2 234.347 0.996 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000570959346 323101574 /nfs/dbraw/zinc/10/15/74/323101574.db2.gz CFLJEFLCJNUDTO-NKWVEPMBSA-N 2 2 209.249 0.131 20 0 BCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000570959636 323101594 /nfs/dbraw/zinc/10/15/94/323101594.db2.gz BATXOHVYGVYRHK-RKDXNWHRSA-N 2 2 239.323 0.345 20 0 BCADLP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+]CCC(N)=O ZINC000571029026 323103983 /nfs/dbraw/zinc/10/39/83/323103983.db2.gz BFHJMNFYSFEBSS-CYBMUJFWSA-N 2 2 249.358 0.624 20 0 BCADLP COC[C@](C)(O)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000531711676 323112135 /nfs/dbraw/zinc/11/21/35/323112135.db2.gz XYHTVZIJRMALKR-KGYLQXTDSA-N 2 2 242.363 0.456 20 0 BCADLP COC[C@](C)(O)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000531711676 323112136 /nfs/dbraw/zinc/11/21/36/323112136.db2.gz XYHTVZIJRMALKR-KGYLQXTDSA-N 2 2 242.363 0.456 20 0 BCADLP Cc1ncncc1[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000563417143 323123643 /nfs/dbraw/zinc/12/36/43/323123643.db2.gz ISTDRZPLRXVQIK-GXSJLCMTSA-N 2 2 238.335 0.358 20 0 BCADLP Cc1ncc(C[NH2+]C2CC([NH+](C)C)C2)cn1 ZINC000563419413 323123911 /nfs/dbraw/zinc/12/39/11/323123911.db2.gz USFLXRXPMXDLIS-UHFFFAOYSA-N 2 2 220.320 0.967 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)OC(C)(C)C1 ZINC000310493692 323132356 /nfs/dbraw/zinc/13/23/56/323132356.db2.gz GLTXVZWKRXZJPZ-NWDGAFQWSA-N 2 2 244.379 0.798 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)OC(C)(C)C1 ZINC000310493692 323132357 /nfs/dbraw/zinc/13/23/57/323132357.db2.gz GLTXVZWKRXZJPZ-NWDGAFQWSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000310493692 323132358 /nfs/dbraw/zinc/13/23/58/323132358.db2.gz GLTXVZWKRXZJPZ-NWDGAFQWSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000310493692 323132359 /nfs/dbraw/zinc/13/23/59/323132359.db2.gz GLTXVZWKRXZJPZ-NWDGAFQWSA-N 2 2 244.379 0.798 20 0 BCADLP CC[C@H]([NH3+])C(=O)NCCNc1cccc[nH+]1 ZINC000571556846 323147961 /nfs/dbraw/zinc/14/79/61/323147961.db2.gz YDRBCMGZIXMDLB-VIFPVBQESA-N 2 2 222.292 0.347 20 0 BCADLP COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1CCC[NH3+] ZINC000414757337 323151516 /nfs/dbraw/zinc/15/15/16/323151516.db2.gz LAGUEXYLHWZFNE-ZJUUUORDSA-N 2 2 214.309 0.609 20 0 BCADLP COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1CCC[NH3+] ZINC000414757337 323151517 /nfs/dbraw/zinc/15/15/17/323151517.db2.gz LAGUEXYLHWZFNE-ZJUUUORDSA-N 2 2 214.309 0.609 20 0 BCADLP [NH3+]CC[N@H+](CCO)Cc1ccc2c(c1)CCO2 ZINC000414918865 323152034 /nfs/dbraw/zinc/15/20/34/323152034.db2.gz ZSGILWQMJHZRSO-UHFFFAOYSA-N 2 2 236.315 0.375 20 0 BCADLP [NH3+]CC[N@@H+](CCO)Cc1ccc2c(c1)CCO2 ZINC000414918865 323152035 /nfs/dbraw/zinc/15/20/35/323152035.db2.gz ZSGILWQMJHZRSO-UHFFFAOYSA-N 2 2 236.315 0.375 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000535311852 323170447 /nfs/dbraw/zinc/17/04/47/323170447.db2.gz AKBLYHGPZUTDGE-QWRGUYRKSA-N 2 2 248.330 0.440 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC000535311852 323170448 /nfs/dbraw/zinc/17/04/48/323170448.db2.gz AKBLYHGPZUTDGE-QWRGUYRKSA-N 2 2 248.330 0.440 20 0 BCADLP C[C@H](CNC(=O)C1([NH3+])CCC1)Cn1cc[nH+]c1 ZINC000563813755 323178774 /nfs/dbraw/zinc/17/87/74/323178774.db2.gz OUKIPOZIZHYAAN-SNVBAGLBSA-N 2 2 236.319 0.517 20 0 BCADLP CSC[C@H](CCO)[NH2+]Cc1c[nH+]c(C)n1C ZINC000563820748 323179228 /nfs/dbraw/zinc/17/92/28/323179228.db2.gz ALNXCZYUYPRLEB-JTQLQIEISA-N 2 2 243.376 0.932 20 0 BCADLP C[C@H]([NH2+]CC[NH2+]C(C)(C)C)C(=O)N(C)C ZINC000230970130 323179668 /nfs/dbraw/zinc/17/96/68/323179668.db2.gz DQKQECODQUSJPR-VIFPVBQESA-N 2 2 215.341 0.441 20 0 BCADLP CC[NH+](CCOC)C[C@H](O)C[N@@H+](C)CC ZINC000308977132 323183152 /nfs/dbraw/zinc/18/31/52/323183152.db2.gz CKZWJFKARACVAV-LLVKDONJSA-N 2 2 218.341 0.267 20 0 BCADLP CC[NH+](CCOC)C[C@H](O)C[N@H+](C)CC ZINC000308977132 323183153 /nfs/dbraw/zinc/18/31/53/323183153.db2.gz CKZWJFKARACVAV-LLVKDONJSA-N 2 2 218.341 0.267 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](CC)CCOC ZINC000308977132 323183154 /nfs/dbraw/zinc/18/31/54/323183154.db2.gz CKZWJFKARACVAV-LLVKDONJSA-N 2 2 218.341 0.267 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)CCOC ZINC000308977132 323183155 /nfs/dbraw/zinc/18/31/55/323183155.db2.gz CKZWJFKARACVAV-LLVKDONJSA-N 2 2 218.341 0.267 20 0 BCADLP COC(=O)c1ccc(C[N@H+](C)C2CC([NH3+])C2)nc1 ZINC000395033864 323185308 /nfs/dbraw/zinc/18/53/08/323185308.db2.gz BBRBBAOVYYPTOY-UHFFFAOYSA-N 2 2 249.314 0.790 20 0 BCADLP COC(=O)c1ccc(C[N@@H+](C)C2CC([NH3+])C2)nc1 ZINC000395033864 323185309 /nfs/dbraw/zinc/18/53/09/323185309.db2.gz BBRBBAOVYYPTOY-UHFFFAOYSA-N 2 2 249.314 0.790 20 0 BCADLP C[C@@H]1C[C@H](NC[C@@H]2COCC[NH2+]2)CC[N@@H+]1C ZINC000530222437 323218364 /nfs/dbraw/zinc/21/83/64/323218364.db2.gz NDXCEAYPBHDMNI-IJLUTSLNSA-N 2 2 227.352 0.047 20 0 BCADLP C[C@@H]1C[C@H](NC[C@@H]2COCC[NH2+]2)CC[N@H+]1C ZINC000530222437 323218366 /nfs/dbraw/zinc/21/83/66/323218366.db2.gz NDXCEAYPBHDMNI-IJLUTSLNSA-N 2 2 227.352 0.047 20 0 BCADLP C[C@@H]1C[C@H](NC[C@H]2COCC[NH2+]2)CC[N@@H+]1C ZINC000530222438 323218503 /nfs/dbraw/zinc/21/85/03/323218503.db2.gz NDXCEAYPBHDMNI-UTUOFQBUSA-N 2 2 227.352 0.047 20 0 BCADLP C[C@@H]1C[C@H](NC[C@H]2COCC[NH2+]2)CC[N@H+]1C ZINC000530222438 323218506 /nfs/dbraw/zinc/21/85/06/323218506.db2.gz NDXCEAYPBHDMNI-UTUOFQBUSA-N 2 2 227.352 0.047 20 0 BCADLP C[C@H](NC[C@@H]1COCC[NH2+]1)c1c[nH+]ccc1N ZINC000530226284 323219353 /nfs/dbraw/zinc/21/93/53/323219353.db2.gz QXPXYBYAGDNMSH-VHSXEESVSA-N 2 2 236.319 0.133 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1COCCN1)c1c[nH+]ccc1N ZINC000530226284 323219357 /nfs/dbraw/zinc/21/93/57/323219357.db2.gz QXPXYBYAGDNMSH-VHSXEESVSA-N 2 2 236.319 0.133 20 0 BCADLP C[C@@H](NC[C@H]1COCC[NH2+]1)c1c[nH+]ccc1N ZINC000530226287 323219587 /nfs/dbraw/zinc/21/95/87/323219587.db2.gz QXPXYBYAGDNMSH-ZJUUUORDSA-N 2 2 236.319 0.133 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1COCCN1)c1c[nH+]ccc1N ZINC000530226287 323219590 /nfs/dbraw/zinc/21/95/90/323219590.db2.gz QXPXYBYAGDNMSH-ZJUUUORDSA-N 2 2 236.319 0.133 20 0 BCADLP C[C@H]([NH3+])C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000571921289 323503100 /nfs/dbraw/zinc/50/31/00/323503100.db2.gz KGWMLMYLZUYZKV-WCQGTBRESA-N 3 2 227.352 0.162 20 0 BCADLP Cc1cccc2[nH+]c(CCNC(=O)[C@@H](C)[NH3+])cn21 ZINC000083887941 487959049 /nfs/dbraw/zinc/95/90/49/487959049.db2.gz SPZGDWVLIYNJHE-SNVBAGLBSA-N 2 2 246.314 0.649 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H](C)C[C@@H](C)O)n1C ZINC000516194387 324116828 /nfs/dbraw/zinc/11/68/28/324116828.db2.gz GBYMJOXCZVBUMW-DTWKUNHWSA-N 2 2 211.309 0.978 20 0 BCADLP COCCCC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000158525819 487962985 /nfs/dbraw/zinc/96/29/85/487962985.db2.gz IAFBYRVDDYLENB-QWRGUYRKSA-N 2 2 216.325 0.461 20 0 BCADLP COCCCC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000158525819 487962992 /nfs/dbraw/zinc/96/29/92/487962992.db2.gz IAFBYRVDDYLENB-QWRGUYRKSA-N 2 2 216.325 0.461 20 0 BCADLP COc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nn1 ZINC000302424226 487963410 /nfs/dbraw/zinc/96/34/10/487963410.db2.gz KKSPPSPFAJFYPY-AOOOYVTPSA-N 2 2 234.303 0.136 20 0 BCADLP COc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nn1 ZINC000302424226 487963413 /nfs/dbraw/zinc/96/34/13/487963413.db2.gz KKSPPSPFAJFYPY-AOOOYVTPSA-N 2 2 234.303 0.136 20 0 BCADLP CC(C)([NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000083913170 487964662 /nfs/dbraw/zinc/96/46/62/487964662.db2.gz ITROZDHXSNVQKV-SNVBAGLBSA-N 2 2 248.330 0.514 20 0 BCADLP [NH3+]Cc1ccc(NC(=O)[C@H]2COCC[NH2+]2)cc1 ZINC000131206711 325125610 /nfs/dbraw/zinc/12/56/10/325125610.db2.gz CIDJAVDBYORYQN-LLVKDONJSA-N 2 2 235.287 0.072 20 0 BCADLP Cn1cc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cn1 ZINC000564275837 325133321 /nfs/dbraw/zinc/13/33/21/325133321.db2.gz JJDIZTBUVYDKSC-UHFFFAOYSA-N 2 2 246.318 0.465 20 0 BCADLP C[C@]1(CO)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000544761331 325158715 /nfs/dbraw/zinc/15/87/15/325158715.db2.gz GGTKIKKOWZKBJW-LLVKDONJSA-N 2 2 209.293 0.730 20 0 BCADLP C[C@]1(CO)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000544761331 325158719 /nfs/dbraw/zinc/15/87/19/325158719.db2.gz GGTKIKKOWZKBJW-LLVKDONJSA-N 2 2 209.293 0.730 20 0 BCADLP C[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000131574101 325165509 /nfs/dbraw/zinc/16/55/09/325165509.db2.gz ZNPBTULLWLXHEL-LBPRGKRZSA-N 2 2 239.363 0.635 20 0 BCADLP C[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000131574101 325165510 /nfs/dbraw/zinc/16/55/10/325165510.db2.gz ZNPBTULLWLXHEL-LBPRGKRZSA-N 2 2 239.363 0.635 20 0 BCADLP CC[NH+]1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000547603245 325373615 /nfs/dbraw/zinc/37/36/15/325373615.db2.gz WROADNZDRPTVDJ-UHFFFAOYSA-N 2 2 236.319 0.127 20 0 BCADLP CC[NH2+]CCCNC(=O)Nc1cc[nH+]cc1C ZINC000667300832 487968069 /nfs/dbraw/zinc/96/80/69/487968069.db2.gz LGKYOYBNKGZTSX-UHFFFAOYSA-N 2 2 236.319 0.933 20 0 BCADLP C[NH+](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000552845195 325667052 /nfs/dbraw/zinc/66/70/52/325667052.db2.gz PNGOLHWRNJYCFA-JTQLQIEISA-N 2 2 236.319 0.123 20 0 BCADLP CC[C@@]1(C(=O)N(C)Cc2[nH]cc[nH+]2)CCC[NH2+]1 ZINC000122196422 487969636 /nfs/dbraw/zinc/96/96/36/487969636.db2.gz KCTARWQRZGKBAC-LBPRGKRZSA-N 2 2 236.319 0.900 20 0 BCADLP Cc1c[nH+]c(C)nc1N1CC[NH+](CCO)CC1 ZINC000564441283 325792542 /nfs/dbraw/zinc/79/25/42/325792542.db2.gz APZKSEPFSGXJDV-UHFFFAOYSA-N 2 2 236.319 0.208 20 0 BCADLP O=C(Nc1cc[nH+]cc1O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655609332 487971320 /nfs/dbraw/zinc/97/13/20/487971320.db2.gz OIGWROPVQRYYFS-ZANVPECISA-N 2 2 247.298 0.537 20 0 BCADLP [NH3+]CCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000566169302 326006219 /nfs/dbraw/zinc/00/62/19/326006219.db2.gz BWBJNHHIVRDROV-SECBINFHSA-N 2 2 222.292 0.812 20 0 BCADLP C[C@@H]1C[N@H+](CCN2CC[C@@H]([NH3+])C[C@H]2C)CCO1 ZINC000566412292 326040976 /nfs/dbraw/zinc/04/09/76/326040976.db2.gz DWSPMIBWYDANHM-JHJVBQTASA-N 2 2 241.379 0.519 20 0 BCADLP C[C@@H]1C[N@@H+](CCN2CC[C@@H]([NH3+])C[C@H]2C)CCO1 ZINC000566412292 326040979 /nfs/dbraw/zinc/04/09/79/326040979.db2.gz DWSPMIBWYDANHM-JHJVBQTASA-N 2 2 241.379 0.519 20 0 BCADLP c1cn(CCC[N@@H+]2CCn3nncc3C2)c[nH+]1 ZINC000566430402 326045739 /nfs/dbraw/zinc/04/57/39/326045739.db2.gz RDTDHECOSGJQAN-UHFFFAOYSA-N 2 2 232.291 0.381 20 0 BCADLP c1cn(CCC[N@H+]2CCn3nncc3C2)c[nH+]1 ZINC000566430402 326045741 /nfs/dbraw/zinc/04/57/41/326045741.db2.gz RDTDHECOSGJQAN-UHFFFAOYSA-N 2 2 232.291 0.381 20 0 BCADLP C[C@]1(C[N@@H+]2CCCO[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000566916173 326093859 /nfs/dbraw/zinc/09/38/59/326093859.db2.gz VQSIQGBPMGHIHC-NEPJUHHUSA-N 3 2 227.352 0.036 20 0 BCADLP C[C@]1(C[N@H+]2CCCO[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000566916173 326093861 /nfs/dbraw/zinc/09/38/61/326093861.db2.gz VQSIQGBPMGHIHC-NEPJUHHUSA-N 3 2 227.352 0.036 20 0 BCADLP CC[NH2+]CCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000567159324 326125544 /nfs/dbraw/zinc/12/55/44/326125544.db2.gz GBPQUCCNUZKTFK-OLZOCXBDSA-N 3 2 241.379 0.343 20 0 BCADLP [NH3+][C@H]1CC[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000309588851 326160943 /nfs/dbraw/zinc/16/09/43/326160943.db2.gz XTXZORWVZJICRM-QWRGUYRKSA-N 2 2 214.309 0.215 20 0 BCADLP [NH3+][C@H]1CC[N@@H+](CCOC[C@@H]2CCCO2)C1 ZINC000309588851 326160945 /nfs/dbraw/zinc/16/09/45/326160945.db2.gz XTXZORWVZJICRM-QWRGUYRKSA-N 2 2 214.309 0.215 20 0 BCADLP CCOCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000567546059 326214343 /nfs/dbraw/zinc/21/43/43/326214343.db2.gz SWQPKWNOPPJUFR-UHFFFAOYSA-N 2 2 224.308 0.568 20 0 BCADLP FCCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000567646059 326237326 /nfs/dbraw/zinc/23/73/26/326237326.db2.gz RQNOJUCILDIWGF-QWRGUYRKSA-N 2 2 216.300 0.703 20 0 BCADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000313248519 326260175 /nfs/dbraw/zinc/26/01/75/326260175.db2.gz BRKBAUUIBAZTFJ-GHMZBOCLSA-N 3 2 222.336 0.822 20 0 BCADLP CO[C@@H](C[NH3+])C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000567824516 326263952 /nfs/dbraw/zinc/26/39/52/326263952.db2.gz WICJIYJJOHPAPE-DTWKUNHWSA-N 2 2 240.307 0.197 20 0 BCADLP CC[C@H](C(=O)NCc1[nH+]ccn1CC)[NH+](C)C ZINC000568107263 326309206 /nfs/dbraw/zinc/30/92/06/326309206.db2.gz HQRMSDQTRIFNFM-SNVBAGLBSA-N 2 2 238.335 0.859 20 0 BCADLP C[C@@]1(C(=O)NCCc2[nH]cc[nH+]2)CCC[NH2+]1 ZINC000158826927 326344485 /nfs/dbraw/zinc/34/44/85/326344485.db2.gz WKBDUURHFMRJHQ-NSHDSACASA-N 2 2 222.292 0.211 20 0 BCADLP CNC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158915061 326345870 /nfs/dbraw/zinc/34/58/70/326345870.db2.gz SJNPXSPUIODELJ-MNOVXSKESA-N 2 2 225.336 0.149 20 0 BCADLP CNC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158915061 326345871 /nfs/dbraw/zinc/34/58/71/326345871.db2.gz SJNPXSPUIODELJ-MNOVXSKESA-N 2 2 225.336 0.149 20 0 BCADLP CNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158915061 326345874 /nfs/dbraw/zinc/34/58/74/326345874.db2.gz SJNPXSPUIODELJ-MNOVXSKESA-N 2 2 225.336 0.149 20 0 BCADLP CNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158915061 326345875 /nfs/dbraw/zinc/34/58/75/326345875.db2.gz SJNPXSPUIODELJ-MNOVXSKESA-N 2 2 225.336 0.149 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000572963740 326421416 /nfs/dbraw/zinc/42/14/16/326421416.db2.gz NOXVNTKRDDVAKV-FOGDFJRCSA-N 2 2 234.303 0.140 20 0 BCADLP CC(C)NC(=O)[C@@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000220737021 487996487 /nfs/dbraw/zinc/99/64/87/487996487.db2.gz SHXHOCFUKUBHOR-SNVBAGLBSA-N 2 2 213.325 0.182 20 0 BCADLP CC(C)NC(=O)[C@@H]1CCC[N@H+](CC[NH3+])C1 ZINC000220737021 487996483 /nfs/dbraw/zinc/99/64/83/487996483.db2.gz SHXHOCFUKUBHOR-SNVBAGLBSA-N 2 2 213.325 0.182 20 0 BCADLP CC[N@@H+]1CCN(Cc2c[nH+]cn2C)C[C@H]1C ZINC000677196240 488000519 /nfs/dbraw/zinc/00/05/19/488000519.db2.gz RSPMRMIJRGZLHG-LLVKDONJSA-N 2 2 222.336 0.946 20 0 BCADLP CC[N@H+]1CCN(Cc2c[nH+]cn2C)C[C@H]1C ZINC000677196240 488000525 /nfs/dbraw/zinc/00/05/25/488000525.db2.gz RSPMRMIJRGZLHG-LLVKDONJSA-N 2 2 222.336 0.946 20 0 BCADLP C[N@H+]1CCN(C(=O)Nc2cccnc2)[C@H](C[NH3+])C1 ZINC000623067097 488001268 /nfs/dbraw/zinc/00/12/68/488001268.db2.gz ZCIWYTZGALVUNL-LLVKDONJSA-N 2 2 249.318 0.188 20 0 BCADLP COc1c(N)[nH+]cnc1NC[C@@H](C)[NH+](C)C ZINC000134869627 488002955 /nfs/dbraw/zinc/00/29/55/488002955.db2.gz BHUKPQMNPPBTKD-SSDOTTSWSA-N 2 2 225.296 0.429 20 0 BCADLP CC[C@@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000229965268 488016566 /nfs/dbraw/zinc/01/65/66/488016566.db2.gz URKXJJFFWNAMCK-CKYFFXLPSA-N 2 2 212.337 0.972 20 0 BCADLP CC[C@@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000229965268 488016570 /nfs/dbraw/zinc/01/65/70/488016570.db2.gz URKXJJFFWNAMCK-CKYFFXLPSA-N 2 2 212.337 0.972 20 0 BCADLP CCC[N@H+](CCO)Cc1c[nH+]c(C)n1C ZINC000667477666 488021289 /nfs/dbraw/zinc/02/12/89/488021289.db2.gz NHRJFKAKTCCULT-UHFFFAOYSA-N 2 2 211.309 0.933 20 0 BCADLP CCC[N@@H+](CCO)Cc1c[nH+]c(C)n1C ZINC000667477666 488021294 /nfs/dbraw/zinc/02/12/94/488021294.db2.gz NHRJFKAKTCCULT-UHFFFAOYSA-N 2 2 211.309 0.933 20 0 BCADLP CC[C@H]1C[N@@H+](CC(=O)NCC2CC2)CC[C@@H]1[NH3+] ZINC000147442765 488023630 /nfs/dbraw/zinc/02/36/30/488023630.db2.gz OQYDMFKTLGVYSH-RYUDHWBXSA-N 2 2 239.363 0.572 20 0 BCADLP CC[C@H]1C[N@H+](CC(=O)NCC2CC2)CC[C@@H]1[NH3+] ZINC000147442765 488023626 /nfs/dbraw/zinc/02/36/26/488023626.db2.gz OQYDMFKTLGVYSH-RYUDHWBXSA-N 2 2 239.363 0.572 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655448752 488036510 /nfs/dbraw/zinc/03/65/10/488036510.db2.gz VIDLJGVLSXTSMJ-JOYOIKCWSA-N 2 2 234.303 0.416 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655448751 488036479 /nfs/dbraw/zinc/03/64/79/488036479.db2.gz VIDLJGVLSXTSMJ-CABZTGNLSA-N 2 2 234.303 0.416 20 0 BCADLP CN(C(=O)Nc1ccn2cc[nH+]c2c1)C1C[NH2+]C1 ZINC000667532064 488039769 /nfs/dbraw/zinc/03/97/69/488039769.db2.gz QOEWNGAFALSINP-UHFFFAOYSA-N 2 2 245.286 0.770 20 0 BCADLP C[C@H](C[NH3+])CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655450361 488041052 /nfs/dbraw/zinc/04/10/52/488041052.db2.gz LGXZAMUGBWBVIV-NXEZZACHSA-N 2 2 236.319 0.157 20 0 BCADLP OC[C@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667569744 488049746 /nfs/dbraw/zinc/04/97/46/488049746.db2.gz RODMRNSINSQNHY-JTQLQIEISA-N 2 2 221.304 0.644 20 0 BCADLP OC[C@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667569744 488049753 /nfs/dbraw/zinc/04/97/53/488049753.db2.gz RODMRNSINSQNHY-JTQLQIEISA-N 2 2 221.304 0.644 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1ccnc(N)c1 ZINC000631863400 488053375 /nfs/dbraw/zinc/05/33/75/488053375.db2.gz ZUBZHWSHXLNMFU-PSASIEDQSA-N 2 2 206.293 0.585 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1Cc1ccnc(N)c1 ZINC000631863400 488053379 /nfs/dbraw/zinc/05/33/79/488053379.db2.gz ZUBZHWSHXLNMFU-PSASIEDQSA-N 2 2 206.293 0.585 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CN1Cc1cc[nH+]c(N)c1 ZINC000631863400 488053381 /nfs/dbraw/zinc/05/33/81/488053381.db2.gz ZUBZHWSHXLNMFU-PSASIEDQSA-N 2 2 206.293 0.585 20 0 BCADLP O=c1ccc(C[NH2+]CC[NH+]2CCCCC2)c[nH]1 ZINC000236412621 488060069 /nfs/dbraw/zinc/06/00/69/488060069.db2.gz JLYDZTXXXWUJDH-UHFFFAOYSA-N 2 2 235.331 0.950 20 0 BCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1C[C@H]1C ZINC000666085389 488065278 /nfs/dbraw/zinc/06/52/78/488065278.db2.gz OXBJCXXGLKCTJO-IJLUTSLNSA-N 2 2 239.363 0.395 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCOC[C@@H]1C ZINC000310529623 488070030 /nfs/dbraw/zinc/07/00/30/488070030.db2.gz NTGSXRHOZCXSOI-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCOC[C@@H]1C ZINC000310529623 488070032 /nfs/dbraw/zinc/07/00/32/488070032.db2.gz NTGSXRHOZCXSOI-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCOC[C@@H]1C ZINC000310529623 488070041 /nfs/dbraw/zinc/07/00/41/488070041.db2.gz NTGSXRHOZCXSOI-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCOC[C@@H]1C ZINC000310529623 488070043 /nfs/dbraw/zinc/07/00/43/488070043.db2.gz NTGSXRHOZCXSOI-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCOC[C@@H]1C ZINC000310529624 488070659 /nfs/dbraw/zinc/07/06/59/488070659.db2.gz NTGSXRHOZCXSOI-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCOC[C@@H]1C ZINC000310529624 488070663 /nfs/dbraw/zinc/07/06/63/488070663.db2.gz NTGSXRHOZCXSOI-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCOC[C@@H]1C ZINC000310529624 488070665 /nfs/dbraw/zinc/07/06/65/488070665.db2.gz NTGSXRHOZCXSOI-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCOC[C@@H]1C ZINC000310529624 488070670 /nfs/dbraw/zinc/07/06/70/488070670.db2.gz NTGSXRHOZCXSOI-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000515174464 488071423 /nfs/dbraw/zinc/07/14/23/488071423.db2.gz JIAYQAPTJXYZFS-QWHCGFSZSA-N 3 2 241.379 0.032 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000515174464 488071427 /nfs/dbraw/zinc/07/14/27/488071427.db2.gz JIAYQAPTJXYZFS-QWHCGFSZSA-N 3 2 241.379 0.032 20 0 BCADLP CO[C@@]1(CO)CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000401895456 488072504 /nfs/dbraw/zinc/07/25/04/488072504.db2.gz WJROALVYUQEKJL-LBPRGKRZSA-N 2 2 239.319 0.356 20 0 BCADLP CO[C@@]1(CO)CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000401895456 488072509 /nfs/dbraw/zinc/07/25/09/488072509.db2.gz WJROALVYUQEKJL-LBPRGKRZSA-N 2 2 239.319 0.356 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](CCC[NH3+])COC)C1 ZINC000389307172 488088012 /nfs/dbraw/zinc/08/80/12/488088012.db2.gz FNHZRBSBOPGYRN-CHWSQXEVSA-N 3 2 243.395 0.814 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](CCC[NH3+])COC)C1 ZINC000389307172 488088015 /nfs/dbraw/zinc/08/80/15/488088015.db2.gz FNHZRBSBOPGYRN-CHWSQXEVSA-N 3 2 243.395 0.814 20 0 BCADLP CNC(=O)[C@@H](C)C[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000667692889 488089368 /nfs/dbraw/zinc/08/93/68/488089368.db2.gz TUGUCAGHUIIEPW-VIFPVBQESA-N 2 2 238.335 0.542 20 0 BCADLP CNC(=O)[C@@H](C)C[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000667692889 488089373 /nfs/dbraw/zinc/08/93/73/488089373.db2.gz TUGUCAGHUIIEPW-VIFPVBQESA-N 2 2 238.335 0.542 20 0 BCADLP Cn1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)nn1 ZINC000389822263 488115078 /nfs/dbraw/zinc/11/50/78/488115078.db2.gz GRPKGKSFAJNWBQ-DTWKUNHWSA-N 2 2 209.297 0.175 20 0 BCADLP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)nn1 ZINC000389837738 488116662 /nfs/dbraw/zinc/11/66/62/488116662.db2.gz READEZNOIYUBHC-JHJVBQTASA-N 2 2 249.362 0.825 20 0 BCADLP CCC[NH+]1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674287686 487548890 /nfs/dbraw/zinc/54/88/90/487548890.db2.gz XDVCFKVPTMIIPV-NSHDSACASA-N 2 2 227.352 0.491 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+](C)C[C@@H](O)C1CC1)C1CC1 ZINC000685566370 487549149 /nfs/dbraw/zinc/54/91/49/487549149.db2.gz MKQDHQBTSPGQDY-CHWSQXEVSA-N 2 2 242.363 0.144 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+](C)C[C@@H](O)C1CC1)C1CC1 ZINC000685566370 487549152 /nfs/dbraw/zinc/54/91/52/487549152.db2.gz MKQDHQBTSPGQDY-CHWSQXEVSA-N 2 2 242.363 0.144 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C[C@@H](O)C1CC1 ZINC000685566370 487549156 /nfs/dbraw/zinc/54/91/56/487549156.db2.gz MKQDHQBTSPGQDY-CHWSQXEVSA-N 2 2 242.363 0.144 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C[C@@H](O)C1CC1 ZINC000685566370 487549160 /nfs/dbraw/zinc/54/91/60/487549160.db2.gz MKQDHQBTSPGQDY-CHWSQXEVSA-N 2 2 242.363 0.144 20 0 BCADLP Cc1[nH]c(C(=O)NCCC2CC[NH2+]CC2)c[nH+]1 ZINC000653272405 487473246 /nfs/dbraw/zinc/47/32/46/487473246.db2.gz MBYDMCVACQFSQV-UHFFFAOYSA-N 2 2 236.319 0.838 20 0 BCADLP Cc1cn2c([nH+]1)CN(C(=O)[C@H](C)[NH+](C)C)CC2 ZINC000679907656 487483735 /nfs/dbraw/zinc/48/37/35/487483735.db2.gz MREKQPUXJVRWLR-JTQLQIEISA-N 2 2 236.319 0.484 20 0 BCADLP Cn1cc(C[NH2+]Cc2cccc3[nH+]ccn32)nn1 ZINC000679931742 487494804 /nfs/dbraw/zinc/49/48/04/487494804.db2.gz AVFKWMMWZLBMRS-UHFFFAOYSA-N 2 2 242.286 0.753 20 0 BCADLP C[NH2+][C@@H]1CCC[N@H+](C[C@H](COC)OC)C1 ZINC000300369244 487511764 /nfs/dbraw/zinc/51/17/64/487511764.db2.gz CEESVVWUUPBLSY-GHMZBOCLSA-N 2 2 216.325 0.332 20 0 BCADLP C[NH2+][C@@H]1CCC[N@@H+](C[C@H](COC)OC)C1 ZINC000300369244 487511767 /nfs/dbraw/zinc/51/17/67/487511767.db2.gz CEESVVWUUPBLSY-GHMZBOCLSA-N 2 2 216.325 0.332 20 0 BCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000275776247 487515048 /nfs/dbraw/zinc/51/50/48/487515048.db2.gz PECAORNSRZXRNJ-MNOVXSKESA-N 2 2 236.319 0.659 20 0 BCADLP CN(CC1CC1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653074558 487520515 /nfs/dbraw/zinc/52/05/15/487520515.db2.gz MTEMUXHNMLSUCK-JTQLQIEISA-N 2 2 213.325 0.134 20 0 BCADLP Cc1cc[nH+]cc1CCC[NH2+]C1(C(N)=O)CC1 ZINC000685427060 487520725 /nfs/dbraw/zinc/52/07/25/487520725.db2.gz KTNGSYFBZKCYTH-UHFFFAOYSA-N 2 2 233.315 0.930 20 0 BCADLP CCn1cc(C[NH2+]C2CC[NH+](C)CC2)nn1 ZINC000404414819 488157585 /nfs/dbraw/zinc/15/75/85/488157585.db2.gz CFYSQMRYJCPGHC-UHFFFAOYSA-N 2 2 223.324 0.482 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414411 487824249 /nfs/dbraw/zinc/82/42/49/487824249.db2.gz HQQVIBJCJMPZPU-GMTAPVOTSA-N 2 2 225.336 0.324 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414411 487824251 /nfs/dbraw/zinc/82/42/51/487824251.db2.gz HQQVIBJCJMPZPU-GMTAPVOTSA-N 2 2 225.336 0.324 20 0 BCADLP C[C@H](O)C1([NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000668701270 488136455 /nfs/dbraw/zinc/13/64/55/488136455.db2.gz PLPBPOJYFTVQCQ-VIFPVBQESA-N 2 2 221.304 0.832 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCc2ccnn2C)CCO1 ZINC000230775495 488156684 /nfs/dbraw/zinc/15/66/84/488156684.db2.gz ADBRHJSYHBZKCO-JQWIXIFHSA-N 2 2 238.335 0.011 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCc2ccnn2C)CCO1 ZINC000230775495 488156687 /nfs/dbraw/zinc/15/66/87/488156687.db2.gz ADBRHJSYHBZKCO-JQWIXIFHSA-N 2 2 238.335 0.011 20 0 BCADLP CCn1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)nn1 ZINC000404419398 488157622 /nfs/dbraw/zinc/15/76/22/488157622.db2.gz BIWYJPVYJFXOEB-QWRGUYRKSA-N 2 2 237.351 0.870 20 0 BCADLP CCn1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)nn1 ZINC000404419398 488157628 /nfs/dbraw/zinc/15/76/28/488157628.db2.gz BIWYJPVYJFXOEB-QWRGUYRKSA-N 2 2 237.351 0.870 20 0 BCADLP C1CC1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655679547 488168518 /nfs/dbraw/zinc/16/85/18/488168518.db2.gz BVPVTXGAUQLIOA-GFCCVEGCSA-N 2 2 210.321 0.992 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2c[nH]nc2C1 ZINC000677988893 488169353 /nfs/dbraw/zinc/16/93/53/488169353.db2.gz NDBLYUBFZCKPCQ-UHFFFAOYSA-N 2 2 231.303 0.973 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCc2c[nH]nc2C1 ZINC000677988893 488169358 /nfs/dbraw/zinc/16/93/58/488169358.db2.gz NDBLYUBFZCKPCQ-UHFFFAOYSA-N 2 2 231.303 0.973 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2cn[nH]c2C1 ZINC000677988893 488169362 /nfs/dbraw/zinc/16/93/62/488169362.db2.gz NDBLYUBFZCKPCQ-UHFFFAOYSA-N 2 2 231.303 0.973 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCc2cn[nH]c2C1 ZINC000677988893 488169364 /nfs/dbraw/zinc/16/93/64/488169364.db2.gz NDBLYUBFZCKPCQ-UHFFFAOYSA-N 2 2 231.303 0.973 20 0 BCADLP C[C@@H](CO)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000678053644 488188311 /nfs/dbraw/zinc/18/83/11/488188311.db2.gz OQTOIMGORKBCDB-MNOVXSKESA-N 2 2 223.320 0.838 20 0 BCADLP C[C@@H](CO)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000678053644 488188313 /nfs/dbraw/zinc/18/83/13/488188313.db2.gz OQTOIMGORKBCDB-MNOVXSKESA-N 2 2 223.320 0.838 20 0 BCADLP C[C@H](CO)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000678053645 488188597 /nfs/dbraw/zinc/18/85/97/488188597.db2.gz OQTOIMGORKBCDB-QWRGUYRKSA-N 2 2 223.320 0.838 20 0 BCADLP C[C@H](CO)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000678053645 488188601 /nfs/dbraw/zinc/18/86/01/488188601.db2.gz OQTOIMGORKBCDB-QWRGUYRKSA-N 2 2 223.320 0.838 20 0 BCADLP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678080293 488193485 /nfs/dbraw/zinc/19/34/85/488193485.db2.gz WWJLCTYIXGJCTI-LBPRGKRZSA-N 2 2 239.363 0.809 20 0 BCADLP CC(C)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678080293 488193487 /nfs/dbraw/zinc/19/34/87/488193487.db2.gz WWJLCTYIXGJCTI-LBPRGKRZSA-N 2 2 239.363 0.809 20 0 BCADLP CO[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)CC[C@H]1C ZINC000299918889 488194727 /nfs/dbraw/zinc/19/47/27/488194727.db2.gz VSYDJBUWLJPTHA-GRYCIOLGSA-N 2 2 228.336 0.332 20 0 BCADLP CO[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)CC[C@H]1C ZINC000299918889 488194731 /nfs/dbraw/zinc/19/47/31/488194731.db2.gz VSYDJBUWLJPTHA-GRYCIOLGSA-N 2 2 228.336 0.332 20 0 BCADLP C[N@H+]1C[C@H]2CN(Cc3c[nH+]c4n3CCC4)C[C@H]2C1 ZINC000668077267 488199050 /nfs/dbraw/zinc/19/90/50/488199050.db2.gz JVJUOAWMXLTUEP-TXEJJXNPSA-N 2 2 246.358 0.823 20 0 BCADLP C[N@@H+]1C[C@H]2CN(Cc3c[nH+]c4n3CCC4)C[C@H]2C1 ZINC000668077267 488199054 /nfs/dbraw/zinc/19/90/54/488199054.db2.gz JVJUOAWMXLTUEP-TXEJJXNPSA-N 2 2 246.358 0.823 20 0 BCADLP C[N@H+]1C[C@@H]2C[NH+](Cc3cnc4n3CCC4)C[C@@H]2C1 ZINC000668077267 488199058 /nfs/dbraw/zinc/19/90/58/488199058.db2.gz JVJUOAWMXLTUEP-TXEJJXNPSA-N 2 2 246.358 0.823 20 0 BCADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cnc4n3CCC4)C[C@@H]2C1 ZINC000668077267 488199060 /nfs/dbraw/zinc/19/90/60/488199060.db2.gz JVJUOAWMXLTUEP-TXEJJXNPSA-N 2 2 246.358 0.823 20 0 BCADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cnc4n3CCC4)C[C@@H]2C1 ZINC000668077267 488199064 /nfs/dbraw/zinc/19/90/64/488199064.db2.gz JVJUOAWMXLTUEP-TXEJJXNPSA-N 2 2 246.358 0.823 20 0 BCADLP C[NH+]1C[C@@H]2C[N@H+](Cc3cnc4n3CCC4)C[C@@H]2C1 ZINC000668077267 488199067 /nfs/dbraw/zinc/19/90/67/488199067.db2.gz JVJUOAWMXLTUEP-TXEJJXNPSA-N 2 2 246.358 0.823 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)n1C ZINC000668097918 488203314 /nfs/dbraw/zinc/20/33/14/488203314.db2.gz ZHVASGQBNDKXAU-LBPRGKRZSA-N 2 2 236.319 0.426 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@](C)(C(N)=O)C2)n1C ZINC000668097918 488203319 /nfs/dbraw/zinc/20/33/19/488203319.db2.gz ZHVASGQBNDKXAU-LBPRGKRZSA-N 2 2 236.319 0.426 20 0 BCADLP Cc1[nH]ncc1[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000683691610 488207883 /nfs/dbraw/zinc/20/78/83/488207883.db2.gz FSKMZWAPCSUGLD-JTQLQIEISA-N 2 2 240.351 0.947 20 0 BCADLP C[N@H+](C[C@@H]1CCCO1)C[C@@H]1C[NH2+]CCO1 ZINC000043802660 488208593 /nfs/dbraw/zinc/20/85/93/488208593.db2.gz XZLKAQQXDAOYEH-QWRGUYRKSA-N 2 2 214.309 0.086 20 0 BCADLP C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1C[NH2+]CCO1 ZINC000043802660 488208597 /nfs/dbraw/zinc/20/85/97/488208597.db2.gz XZLKAQQXDAOYEH-QWRGUYRKSA-N 2 2 214.309 0.086 20 0 BCADLP COC[C@@H]1CC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000668192945 488219580 /nfs/dbraw/zinc/21/95/80/488219580.db2.gz QMEYVGUYQHRSDE-JTQLQIEISA-N 2 2 209.293 0.949 20 0 BCADLP COC[C@@H]1CC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000668192945 488219583 /nfs/dbraw/zinc/21/95/83/488219583.db2.gz QMEYVGUYQHRSDE-JTQLQIEISA-N 2 2 209.293 0.949 20 0 BCADLP CC[N@H+](Cc1c[nH+]c(C)n1C)[C@@H](C)CO ZINC000668195666 488220651 /nfs/dbraw/zinc/22/06/51/488220651.db2.gz QUAKMEHBGJXPNO-VIFPVBQESA-N 2 2 211.309 0.931 20 0 BCADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)[C@@H](C)CO ZINC000668195666 488220654 /nfs/dbraw/zinc/22/06/54/488220654.db2.gz QUAKMEHBGJXPNO-VIFPVBQESA-N 2 2 211.309 0.931 20 0 BCADLP C[N@@H+]1CC[C@@H]2CN(Cc3c[nH+]c4n3CCC4)C[C@@H]21 ZINC000668217838 488229545 /nfs/dbraw/zinc/22/95/45/488229545.db2.gz UECAIGNYEASMGL-YPMHNXCESA-N 2 2 246.358 0.965 20 0 BCADLP C[N@H+]1CC[C@@H]2CN(Cc3c[nH+]c4n3CCC4)C[C@@H]21 ZINC000668217838 488229547 /nfs/dbraw/zinc/22/95/47/488229547.db2.gz UECAIGNYEASMGL-YPMHNXCESA-N 2 2 246.358 0.965 20 0 BCADLP Cn1c[nH+]c(CN2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000683897512 488239522 /nfs/dbraw/zinc/23/95/22/488239522.db2.gz FCPBAYBZHHRYPV-GFCCVEGCSA-N 2 2 222.336 0.946 20 0 BCADLP C[C@@H](C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000678572824 488267558 /nfs/dbraw/zinc/26/75/58/488267558.db2.gz JUPXHHOYHKTWEH-IUCAKERBSA-N 2 2 236.319 0.333 20 0 BCADLP C[C@@H](C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000678572824 488267560 /nfs/dbraw/zinc/26/75/60/488267560.db2.gz JUPXHHOYHKTWEH-IUCAKERBSA-N 2 2 236.319 0.333 20 0 BCADLP CC[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000673644807 488299652 /nfs/dbraw/zinc/29/96/52/488299652.db2.gz GXJPCMNIVBWYKL-LLVKDONJSA-N 2 2 236.319 0.341 20 0 BCADLP CC[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000673644807 488299655 /nfs/dbraw/zinc/29/96/55/488299655.db2.gz GXJPCMNIVBWYKL-LLVKDONJSA-N 2 2 236.319 0.341 20 0 BCADLP C[NH+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000673670612 488302233 /nfs/dbraw/zinc/30/22/33/488302233.db2.gz HIHOCGHZSOKURS-NSHDSACASA-N 2 2 236.319 0.293 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000684395034 488305148 /nfs/dbraw/zinc/30/51/48/488305148.db2.gz QKPGWAULEZASEG-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000684395034 488305149 /nfs/dbraw/zinc/30/51/49/488305149.db2.gz QKPGWAULEZASEG-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cn[nH]c3)[C@H]2C1 ZINC000679364582 488347004 /nfs/dbraw/zinc/34/70/04/488347004.db2.gz HLYCEXSMESDVJP-NEPJUHHUSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cn[nH]c3)[C@H]2C1 ZINC000679364582 488347007 /nfs/dbraw/zinc/34/70/07/488347007.db2.gz HLYCEXSMESDVJP-NEPJUHHUSA-N 2 2 220.320 0.936 20 0 BCADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cn[nH]c3)[C@H]2C1 ZINC000679364582 488347008 /nfs/dbraw/zinc/34/70/08/488347008.db2.gz HLYCEXSMESDVJP-NEPJUHHUSA-N 2 2 220.320 0.936 20 0 BCADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cn[nH]c3)[C@H]2C1 ZINC000679364582 488347011 /nfs/dbraw/zinc/34/70/11/488347011.db2.gz HLYCEXSMESDVJP-NEPJUHHUSA-N 2 2 220.320 0.936 20 0 BCADLP [NH3+]CC[N@H+](CCO)CCOC1CCCCCC1 ZINC000342418995 490192305 /nfs/dbraw/zinc/19/23/05/490192305.db2.gz HXPAZKOFUVWBKY-UHFFFAOYSA-N 2 2 244.379 0.979 20 0 BCADLP [NH3+]CC[N@@H+](CCO)CCOC1CCCCCC1 ZINC000342418995 490192312 /nfs/dbraw/zinc/19/23/12/490192312.db2.gz HXPAZKOFUVWBKY-UHFFFAOYSA-N 2 2 244.379 0.979 20 0 BCADLP CC(C)[NH2+]CC(=O)NCCc1[nH]cc[nH+]1 ZINC000125151257 490254423 /nfs/dbraw/zinc/25/44/23/490254423.db2.gz RAYJBKOUSPTREX-UHFFFAOYSA-N 2 2 210.281 0.066 20 0 BCADLP COC(=O)c1cc(C[NH2+][C@@H]2CCC[NH2+]C2)c[nH]1 ZINC000414869016 490301286 /nfs/dbraw/zinc/30/12/86/490301286.db2.gz QRWDSJSWSPOJPZ-SNVBAGLBSA-N 2 2 237.303 0.643 20 0 BCADLP CC[N@H+](Cc1c[nH+]c(C)n1C)[C@H](C)CO ZINC000668184781 490337112 /nfs/dbraw/zinc/33/71/12/490337112.db2.gz QUAKMEHBGJXPNO-SECBINFHSA-N 2 2 211.309 0.931 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)C1CC1 ZINC000305808127 490621592 /nfs/dbraw/zinc/62/15/92/490621592.db2.gz ZYPAEZLVQVBOSG-LBPRGKRZSA-N 2 2 223.320 0.976 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)C1CC1 ZINC000305808127 490621593 /nfs/dbraw/zinc/62/15/93/490621593.db2.gz ZYPAEZLVQVBOSG-LBPRGKRZSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C(C)(C)O ZINC000306399205 490635523 /nfs/dbraw/zinc/63/55/23/490635523.db2.gz JXZKGSBHDDUVDC-KXUCPTDWSA-N 2 2 200.326 0.686 20 0 BCADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C(C)(C)O ZINC000306399205 490635526 /nfs/dbraw/zinc/63/55/26/490635526.db2.gz JXZKGSBHDDUVDC-KXUCPTDWSA-N 2 2 200.326 0.686 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309458106 491055212 /nfs/dbraw/zinc/05/52/12/491055212.db2.gz NBTINQHPAKAHMJ-FRRDWIJNSA-N 3 2 223.364 0.622 20 0 BCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309458106 491055213 /nfs/dbraw/zinc/05/52/13/491055213.db2.gz NBTINQHPAKAHMJ-FRRDWIJNSA-N 3 2 223.364 0.622 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309458106 491055215 /nfs/dbraw/zinc/05/52/15/491055215.db2.gz NBTINQHPAKAHMJ-FRRDWIJNSA-N 3 2 223.364 0.622 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309458106 491055217 /nfs/dbraw/zinc/05/52/17/491055217.db2.gz NBTINQHPAKAHMJ-FRRDWIJNSA-N 3 2 223.364 0.622 20 0 BCADLP [NH3+]CCC[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000091962979 491072686 /nfs/dbraw/zinc/07/26/86/491072686.db2.gz VJVYYFLUGIJZAA-UHFFFAOYSA-N 2 2 240.351 0.169 20 0 BCADLP CCCn1ncnc1C[N@H+](C)CCOCC[NH3+] ZINC000310069014 491094787 /nfs/dbraw/zinc/09/47/87/491094787.db2.gz QUZMEWMWNROPBO-UHFFFAOYSA-N 2 2 241.339 0.095 20 0 BCADLP CCCn1ncnc1C[N@@H+](C)CCOCC[NH3+] ZINC000310069014 491094790 /nfs/dbraw/zinc/09/47/90/491094790.db2.gz QUZMEWMWNROPBO-UHFFFAOYSA-N 2 2 241.339 0.095 20 0 BCADLP Cc1nc(NCC[N@@H+]2CCO[C@H](C)C2)cc[nH+]1 ZINC000525193371 491108596 /nfs/dbraw/zinc/10/85/96/491108596.db2.gz QHGFLLLVOQQMBZ-SNVBAGLBSA-N 2 2 236.319 0.918 20 0 BCADLP Cc1nc(NCC[N@H+]2CCO[C@H](C)C2)cc[nH+]1 ZINC000525193371 491108597 /nfs/dbraw/zinc/10/85/97/491108597.db2.gz QHGFLLLVOQQMBZ-SNVBAGLBSA-N 2 2 236.319 0.918 20 0 BCADLP CCOCC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625547002 491120428 /nfs/dbraw/zinc/12/04/28/491120428.db2.gz XCRZIAOCFSZPRZ-UHFFFAOYSA-N 2 2 242.363 0.820 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOCC1CC1 ZINC000235456927 491122827 /nfs/dbraw/zinc/12/28/27/491122827.db2.gz QVSAXKZYTDEKMA-YPMHNXCESA-N 2 2 242.363 0.770 20 0 BCADLP C[C@@H](CC[NH3+])NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655451425 491129445 /nfs/dbraw/zinc/12/94/45/491129445.db2.gz JOOGCTJDYKCEBQ-UWVGGRQHSA-N 2 2 236.319 0.299 20 0 BCADLP C[C@@H]1SCC[N@@H+](C[C@@H]2C[NH2+]CCO2)[C@H]1C ZINC000132422832 491135937 /nfs/dbraw/zinc/13/59/37/491135937.db2.gz ZRXGGYXLDUNPJK-DCAQKATOSA-N 2 2 230.377 0.801 20 0 BCADLP COC[C@H](C)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000134281155 491162906 /nfs/dbraw/zinc/16/29/06/491162906.db2.gz LCQFCASUYAJCNO-MNOVXSKESA-N 2 2 200.326 0.953 20 0 BCADLP COC[C@H](C)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000134281155 491162907 /nfs/dbraw/zinc/16/29/07/491162907.db2.gz LCQFCASUYAJCNO-MNOVXSKESA-N 2 2 200.326 0.953 20 0 BCADLP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1nncn1C ZINC000494789639 533865967 /nfs/dbraw/zinc/86/59/67/533865967.db2.gz DAXCZWITHWVUPD-WDEREUQCSA-N 2 2 237.351 0.950 20 0 BCADLP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1nncn1C ZINC000494789639 533865975 /nfs/dbraw/zinc/86/59/75/533865975.db2.gz DAXCZWITHWVUPD-WDEREUQCSA-N 2 2 237.351 0.950 20 0 BCADLP COC(=O)N1CC([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000497070083 533933283 /nfs/dbraw/zinc/93/32/83/533933283.db2.gz FPFXKLUVGXSMLH-WPRPVWTQSA-N 2 2 227.308 0.167 20 0 BCADLP C[C@H]1C[NH+]=C(NC(=O)/C=C/C[NH+](C)C)S1 ZINC000493296930 534003065 /nfs/dbraw/zinc/00/30/65/534003065.db2.gz WRHYHGWUVBUREL-ZJELKQJVSA-N 2 2 227.333 0.712 20 0 BCADLP CCC[C@H](O)C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000253016813 535717424 /nfs/dbraw/zinc/71/74/24/535717424.db2.gz HPDAOVWCJVAYIQ-SRVKXCTJSA-N 2 2 230.352 0.504 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000309105268 534444502 /nfs/dbraw/zinc/44/45/02/534444502.db2.gz HQOWUKLADLOCDL-DDHJBXDOSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000309105268 534444505 /nfs/dbraw/zinc/44/45/05/534444505.db2.gz HQOWUKLADLOCDL-DDHJBXDOSA-N 2 2 212.337 0.830 20 0 BCADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(C)(C)[NH3+] ZINC000262680772 534908685 /nfs/dbraw/zinc/90/86/85/534908685.db2.gz WVWPEXZNSJVPQQ-UHFFFAOYSA-N 2 2 238.335 0.893 20 0 BCADLP CC[N@@H+]1CC[C@@H](NC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493076444 527758511 /nfs/dbraw/zinc/75/85/11/527758511.db2.gz XRWIEKFEFYWDNH-HMDXOVGESA-N 2 2 234.303 0.633 20 0 BCADLP CC[N@H+]1CC[C@@H](NC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493076444 527758514 /nfs/dbraw/zinc/75/85/14/527758514.db2.gz XRWIEKFEFYWDNH-HMDXOVGESA-N 2 2 234.303 0.633 20 0 BCADLP COC[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000173536520 536523776 /nfs/dbraw/zinc/52/37/76/536523776.db2.gz OVVFYJSJNPDDFT-CHWSQXEVSA-N 2 2 242.363 0.675 20 0 BCADLP COC[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000173536520 536523781 /nfs/dbraw/zinc/52/37/81/536523781.db2.gz OVVFYJSJNPDDFT-CHWSQXEVSA-N 2 2 242.363 0.675 20 0 BCADLP CC[NH+](CC)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493371560 528125829 /nfs/dbraw/zinc/12/58/29/528125829.db2.gz QHEAVHPYPYNBRA-AATRIKPKSA-N 2 2 236.319 0.881 20 0 BCADLP CC(=O)OC[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000892567305 582915305 /nfs/dbraw/zinc/91/53/05/582915305.db2.gz SBCHAPZSZJHDHH-ZJUUUORDSA-N 2 2 225.292 0.813 20 0 BCADLP CC(C)[C@@H](CO)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000308658717 528482035 /nfs/dbraw/zinc/48/20/35/528482035.db2.gz PDBZRTDKDNOHDZ-HBNTYKKESA-N 2 2 200.326 0.543 20 0 BCADLP CC(C)[C@@H](CO)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000308658717 528482039 /nfs/dbraw/zinc/48/20/39/528482039.db2.gz PDBZRTDKDNOHDZ-HBNTYKKESA-N 2 2 200.326 0.543 20 0 BCADLP CCOC(=O)N(C)C1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000496693628 528937629 /nfs/dbraw/zinc/93/76/29/528937629.db2.gz VNPOJTISFXZPNP-JTQLQIEISA-N 2 2 243.351 0.886 20 0 BCADLP CC1(C)CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC[NH2+]1 ZINC000493493243 529060900 /nfs/dbraw/zinc/06/09/00/529060900.db2.gz SEWUQWBDWMJFKC-ONEGZZNKSA-N 2 2 234.303 0.633 20 0 BCADLP CC(C)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000335307581 535078242 /nfs/dbraw/zinc/07/82/42/535078242.db2.gz NXRYPWOPRWPGDM-GFCCVEGCSA-N 2 2 239.363 0.539 20 0 BCADLP CC(C)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000335307581 535078246 /nfs/dbraw/zinc/07/82/46/535078246.db2.gz NXRYPWOPRWPGDM-GFCCVEGCSA-N 2 2 239.363 0.539 20 0 BCADLP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261556776 535115417 /nfs/dbraw/zinc/11/54/17/535115417.db2.gz RAWWZJBOYFSNET-QJPTWQEYSA-N 2 2 239.363 0.442 20 0 BCADLP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261556776 535115425 /nfs/dbraw/zinc/11/54/25/535115425.db2.gz RAWWZJBOYFSNET-QJPTWQEYSA-N 2 2 239.363 0.442 20 0 BCADLP CCCCN(C)C(=O)C1CC[NH+](CC[NH3+])CC1 ZINC000258690884 535204791 /nfs/dbraw/zinc/20/47/91/535204791.db2.gz JDQVIXQUDYBTHG-UHFFFAOYSA-N 2 2 241.379 0.916 20 0 BCADLP CC[NH+]1CCC([NH2+]C[C@H](O)C(F)F)CC1 ZINC000224474205 535474430 /nfs/dbraw/zinc/47/44/30/535474430.db2.gz HXNYMCDPRBHYIC-VIFPVBQESA-N 2 2 222.279 0.686 20 0 BCADLP CCS(=O)(=O)CC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000261558920 535633997 /nfs/dbraw/zinc/63/39/97/535633997.db2.gz YQHVBFYCZQVHNL-SNVBAGLBSA-N 2 2 234.365 0.138 20 0 BCADLP CCC[C@H](O)C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000217747254 535716188 /nfs/dbraw/zinc/71/61/88/535716188.db2.gz HPDAOVWCJVAYIQ-TUAOUCFPSA-N 2 2 230.352 0.504 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000248400226 535964670 /nfs/dbraw/zinc/96/46/70/535964670.db2.gz XFVUZELTIPLJJQ-RKDXNWHRSA-N 2 2 240.269 0.793 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000248400226 535964676 /nfs/dbraw/zinc/96/46/76/535964676.db2.gz XFVUZELTIPLJJQ-RKDXNWHRSA-N 2 2 240.269 0.793 20 0 BCADLP CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000173395864 536104277 /nfs/dbraw/zinc/10/42/77/536104277.db2.gz VOIVXQOSEXHDAD-GHMZBOCLSA-N 2 2 228.336 0.822 20 0 BCADLP CC[C@H](C(=O)OC)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000173395864 536104281 /nfs/dbraw/zinc/10/42/81/536104281.db2.gz VOIVXQOSEXHDAD-GHMZBOCLSA-N 2 2 228.336 0.822 20 0 BCADLP CC[C@H]([NH3+])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000036871276 536140208 /nfs/dbraw/zinc/14/02/08/536140208.db2.gz WBJITCKYFJWZIG-NSHDSACASA-N 2 2 248.330 0.468 20 0 BCADLP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262141216 536359385 /nfs/dbraw/zinc/35/93/85/536359385.db2.gz ZEAHGYLJIHUUCQ-RKDXNWHRSA-N 2 2 247.289 0.194 20 0 BCADLP C[NH2+][C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000261551329 536375718 /nfs/dbraw/zinc/37/57/18/536375718.db2.gz QJAHIZLITJHDJY-GFCCVEGCSA-N 3 2 211.353 0.670 20 0 BCADLP C[NH2+][C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000261551329 536375715 /nfs/dbraw/zinc/37/57/15/536375715.db2.gz QJAHIZLITJHDJY-GFCCVEGCSA-N 3 2 211.353 0.670 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000224425323 536409827 /nfs/dbraw/zinc/40/98/27/536409827.db2.gz NFOWFIYOKQJQNF-RYUDHWBXSA-N 2 2 243.420 0.575 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000224425323 536409829 /nfs/dbraw/zinc/40/98/29/536409829.db2.gz NFOWFIYOKQJQNF-RYUDHWBXSA-N 2 2 243.420 0.575 20 0 BCADLP CNC(=O)c1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000336051443 536422746 /nfs/dbraw/zinc/42/27/46/536422746.db2.gz GENQHFNGHUCKTC-UHFFFAOYSA-N 2 2 247.342 0.842 20 0 BCADLP CNC(=O)c1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000336051443 536422749 /nfs/dbraw/zinc/42/27/49/536422749.db2.gz GENQHFNGHUCKTC-UHFFFAOYSA-N 2 2 247.342 0.842 20 0 BCADLP COCCO[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000261762714 536557409 /nfs/dbraw/zinc/55/74/09/536557409.db2.gz DDDAHDMBGCGZDN-LLVKDONJSA-N 2 2 230.352 0.851 20 0 BCADLP COCCO[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261762714 536557417 /nfs/dbraw/zinc/55/74/17/536557417.db2.gz DDDAHDMBGCGZDN-LLVKDONJSA-N 2 2 230.352 0.851 20 0 BCADLP CO[C@@H]1CC[C@H]([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000261540309 536706454 /nfs/dbraw/zinc/70/64/54/536706454.db2.gz FWNKIELNTJIDNE-YVECIDJPSA-N 2 2 242.363 0.911 20 0 BCADLP COC[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H](C)O1 ZINC000262093885 536784944 /nfs/dbraw/zinc/78/49/44/536784944.db2.gz UZUYHFULUDPQRP-AGIUHOORSA-N 2 2 242.363 0.722 20 0 BCADLP COC[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H](C)O1 ZINC000262093885 536784951 /nfs/dbraw/zinc/78/49/51/536784951.db2.gz UZUYHFULUDPQRP-AGIUHOORSA-N 2 2 242.363 0.722 20 0 BCADLP C[C@@H]1C[C@H]1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000166920776 566384233 /nfs/dbraw/zinc/38/42/33/566384233.db2.gz QRLVHHSFBGNOEO-MNOVXSKESA-N 2 2 225.336 0.006 20 0 BCADLP CC(=O)OC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000892721102 582968585 /nfs/dbraw/zinc/96/85/85/582968585.db2.gz IVTOIWDEZJAPTO-KOLCDFICSA-N 2 2 214.309 0.622 20 0 BCADLP CC(=O)OC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000892721102 582968592 /nfs/dbraw/zinc/96/85/92/582968592.db2.gz IVTOIWDEZJAPTO-KOLCDFICSA-N 2 2 214.309 0.622 20 0 BCADLP Cc1nnc([C@@H](C)[N@@H+]2CCC[C@H](C[NH3+])C2)[nH]1 ZINC000852744224 583015986 /nfs/dbraw/zinc/01/59/86/583015986.db2.gz VUFHFFBYGYRHGA-PSASIEDQSA-N 2 2 223.324 0.845 20 0 BCADLP Cc1nnc([C@@H](C)[N@H+]2CCC[C@H](C[NH3+])C2)[nH]1 ZINC000852744224 583015988 /nfs/dbraw/zinc/01/59/88/583015988.db2.gz VUFHFFBYGYRHGA-PSASIEDQSA-N 2 2 223.324 0.845 20 0 BCADLP Cc1nnc([C@H](C)[N@@H+]2CCC[C@H](C[NH3+])C2)[nH]1 ZINC000852744226 583016521 /nfs/dbraw/zinc/01/65/21/583016521.db2.gz VUFHFFBYGYRHGA-WCBMZHEXSA-N 2 2 223.324 0.845 20 0 BCADLP Cc1nnc([C@H](C)[N@H+]2CCC[C@H](C[NH3+])C2)[nH]1 ZINC000852744226 583016523 /nfs/dbraw/zinc/01/65/23/583016523.db2.gz VUFHFFBYGYRHGA-WCBMZHEXSA-N 2 2 223.324 0.845 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)N(C)OC)C1 ZINC000853113813 588721511 /nfs/dbraw/zinc/72/15/11/588721511.db2.gz FJHHMMAXRKXVDS-LLVKDONJSA-N 2 2 243.351 0.470 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+]CCC(=O)N(C)OC)C1 ZINC000853113813 588721512 /nfs/dbraw/zinc/72/15/12/588721512.db2.gz FJHHMMAXRKXVDS-LLVKDONJSA-N 2 2 243.351 0.470 20 0 BCADLP Cc1cc(N)nc(N2CC[NH+](C(C)C)CC2)[nH+]1 ZINC000891724788 582714705 /nfs/dbraw/zinc/71/47/05/582714705.db2.gz NHICRVSWLMMVCN-UHFFFAOYSA-N 2 2 235.335 0.898 20 0 BCADLP O=C(N[C@@H]1CCn2cc[nH+]c21)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891928288 582738951 /nfs/dbraw/zinc/73/89/51/582738951.db2.gz XVFUNHAVMVHCKK-LPEHRKFASA-N 2 2 247.302 0.084 20 0 BCADLP CCn1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(C)n1 ZINC000892251931 582814190 /nfs/dbraw/zinc/81/41/90/582814190.db2.gz MJDBEZDRJVFQBG-VXGBXAGGSA-N 2 2 234.347 0.863 20 0 BCADLP CC[NH+](CC)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000073643018 582825946 /nfs/dbraw/zinc/82/59/46/582825946.db2.gz DVIMZQHVWIXFCD-NSHDSACASA-N 2 2 238.335 0.730 20 0 BCADLP COCCOC[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000892567263 582915622 /nfs/dbraw/zinc/91/56/22/582915622.db2.gz RLFVFVPOKZAYTJ-RYUDHWBXSA-N 2 2 241.335 0.913 20 0 BCADLP CC(=O)OC[C@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000892665824 582945065 /nfs/dbraw/zinc/94/50/65/582945065.db2.gz VINGMWGQFNUWBL-ONGXEEELSA-N 2 2 214.309 0.622 20 0 BCADLP CC(=O)OC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000892665824 582945068 /nfs/dbraw/zinc/94/50/68/582945068.db2.gz VINGMWGQFNUWBL-ONGXEEELSA-N 2 2 214.309 0.622 20 0 BCADLP Cc1cc(N)nc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)[nH+]1 ZINC000893077614 583043349 /nfs/dbraw/zinc/04/33/49/583043349.db2.gz BEEIQWFMHXHRSQ-NXEZZACHSA-N 2 2 235.335 0.896 20 0 BCADLP Cc1cc(N)nc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)[nH+]1 ZINC000893077614 583043350 /nfs/dbraw/zinc/04/33/50/583043350.db2.gz BEEIQWFMHXHRSQ-NXEZZACHSA-N 2 2 235.335 0.896 20 0 BCADLP CC(C)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[NH2+]1 ZINC000856488672 588873970 /nfs/dbraw/zinc/87/39/70/588873970.db2.gz BBQDVMKZJYRCPD-JTQLQIEISA-N 2 2 236.319 0.409 20 0 BCADLP COCCOC[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000893320148 583100007 /nfs/dbraw/zinc/10/00/07/583100007.db2.gz MCBBHMNBLFYDJR-LBPRGKRZSA-N 2 2 230.352 0.723 20 0 BCADLP CC(=O)OC[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000893354535 583120534 /nfs/dbraw/zinc/12/05/34/583120534.db2.gz NENZNMHDVGYZLU-QWRGUYRKSA-N 2 2 228.336 0.869 20 0 BCADLP CC(=O)OC[C@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000893354535 583120537 /nfs/dbraw/zinc/12/05/37/583120537.db2.gz NENZNMHDVGYZLU-QWRGUYRKSA-N 2 2 228.336 0.869 20 0 BCADLP CCn1ncc(C[N@@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000857084064 588886536 /nfs/dbraw/zinc/88/65/36/588886536.db2.gz MYSASCBTNUWOJP-SECBINFHSA-N 2 2 209.297 0.079 20 0 BCADLP CCn1ncc(C[N@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000857084064 588886538 /nfs/dbraw/zinc/88/65/38/588886538.db2.gz MYSASCBTNUWOJP-SECBINFHSA-N 2 2 209.297 0.079 20 0 BCADLP CCn1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)nn1 ZINC000893707009 583207476 /nfs/dbraw/zinc/20/74/76/583207476.db2.gz OARMSPLJXHKGGA-SNVBAGLBSA-N 2 2 246.318 0.599 20 0 BCADLP CCn1cc(CC[N@H+](C)CC[NH2+]C)cn1 ZINC000857087526 588887119 /nfs/dbraw/zinc/88/71/19/588887119.db2.gz SZGADJVOLYIPJN-UHFFFAOYSA-N 2 2 210.325 0.597 20 0 BCADLP CCn1cc(CC[N@@H+](C)CC[NH2+]C)cn1 ZINC000857087526 588887120 /nfs/dbraw/zinc/88/71/20/588887120.db2.gz SZGADJVOLYIPJN-UHFFFAOYSA-N 2 2 210.325 0.597 20 0 BCADLP Cc1nc(N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc[nH+]1 ZINC000893938442 583253580 /nfs/dbraw/zinc/25/35/80/583253580.db2.gz COTQOOAMZBNGSX-MNOVXSKESA-N 2 2 218.304 0.925 20 0 BCADLP Cc1nc(N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc[nH+]1 ZINC000893938442 583253581 /nfs/dbraw/zinc/25/35/81/583253581.db2.gz COTQOOAMZBNGSX-MNOVXSKESA-N 2 2 218.304 0.925 20 0 BCADLP COCC[NH+]1CCC([NH2+]Cc2cnc[nH]2)CC1 ZINC000894206047 583347969 /nfs/dbraw/zinc/34/79/69/583347969.db2.gz CXVINVBUDWUMAO-UHFFFAOYSA-N 2 2 238.335 0.610 20 0 BCADLP CC[S@@](=O)CC[NH2+]Cc1c(C)cc[nH+]c1N ZINC000894260851 583399450 /nfs/dbraw/zinc/39/94/50/583399450.db2.gz OTMAKDJIQSQKDR-MRXNPFEDSA-N 2 2 241.360 0.830 20 0 BCADLP CNC(=O)CCC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880141451 583475600 /nfs/dbraw/zinc/47/56/00/583475600.db2.gz IMXODQIAWMGENI-VXGBXAGGSA-N 2 2 239.363 0.681 20 0 BCADLP CNC(=O)CCC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880141451 583475601 /nfs/dbraw/zinc/47/56/01/583475601.db2.gz IMXODQIAWMGENI-VXGBXAGGSA-N 2 2 239.363 0.681 20 0 BCADLP CNC(=O)CCC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880141451 583475602 /nfs/dbraw/zinc/47/56/02/583475602.db2.gz IMXODQIAWMGENI-VXGBXAGGSA-N 2 2 239.363 0.681 20 0 BCADLP CNC(=O)CCC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880141451 583475603 /nfs/dbraw/zinc/47/56/03/583475603.db2.gz IMXODQIAWMGENI-VXGBXAGGSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@H](CCO)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000894667716 583501880 /nfs/dbraw/zinc/50/18/80/583501880.db2.gz KJQGIZBTGDWDTM-NEPJUHHUSA-N 2 2 230.352 0.194 20 0 BCADLP C[C@H](CCO)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000894667716 583501882 /nfs/dbraw/zinc/50/18/82/583501882.db2.gz KJQGIZBTGDWDTM-NEPJUHHUSA-N 2 2 230.352 0.194 20 0 BCADLP C[C@@H]1C[N@H+](CC(N)=O)CCN1c1cc[nH+]cc1 ZINC000880261970 583519012 /nfs/dbraw/zinc/51/90/12/583519012.db2.gz PLMMNUNGUBBUQM-SNVBAGLBSA-N 2 2 234.303 0.077 20 0 BCADLP C[C@@H]1C[N@@H+](CC(N)=O)CCN1c1cc[nH+]cc1 ZINC000880261970 583519013 /nfs/dbraw/zinc/51/90/13/583519013.db2.gz PLMMNUNGUBBUQM-SNVBAGLBSA-N 2 2 234.303 0.077 20 0 BCADLP C[NH+]1CCC(C[NH+]2CC(S(C)(=O)=O)C2)CC1 ZINC000894802263 583522405 /nfs/dbraw/zinc/52/24/05/583522405.db2.gz MPXODUGRBSDHOW-UHFFFAOYSA-N 2 2 246.376 0.057 20 0 BCADLP C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1c[nH+]c[nH]1 ZINC000894911023 583554592 /nfs/dbraw/zinc/55/45/92/583554592.db2.gz CMTNFCCGBGHVES-VIFPVBQESA-N 2 2 219.292 0.864 20 0 BCADLP CON(C)C(=O)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000895040555 583571168 /nfs/dbraw/zinc/57/11/68/583571168.db2.gz JFYJBLKEJPZUEA-UHFFFAOYSA-N 2 2 248.286 0.444 20 0 BCADLP CC[NH+]1CCC([NH2+][C@H]2C(=O)NCC2(C)C)CC1 ZINC000895323043 583650192 /nfs/dbraw/zinc/65/01/92/583650192.db2.gz IGBAMAUCPBVHJB-NSHDSACASA-N 2 2 239.363 0.585 20 0 BCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000857978739 588926712 /nfs/dbraw/zinc/92/67/12/588926712.db2.gz JQLXKKHDRLSIGY-NXEZZACHSA-N 2 2 234.303 0.396 20 0 BCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000857978739 588926713 /nfs/dbraw/zinc/92/67/13/588926713.db2.gz JQLXKKHDRLSIGY-NXEZZACHSA-N 2 2 234.303 0.396 20 0 BCADLP CC(=O)OC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000896552718 583811037 /nfs/dbraw/zinc/81/10/37/583811037.db2.gz HHCFZNUVYUKUKT-IQJOONFLSA-N 2 2 214.309 0.620 20 0 BCADLP CC(=O)OC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000896552718 583811038 /nfs/dbraw/zinc/81/10/38/583811038.db2.gz HHCFZNUVYUKUKT-IQJOONFLSA-N 2 2 214.309 0.620 20 0 BCADLP CCC[N@H+](C)CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857986093 588929057 /nfs/dbraw/zinc/92/90/57/588929057.db2.gz LQDGXQOUDCPDNJ-SNVBAGLBSA-N 2 2 236.319 0.786 20 0 BCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857986093 588929058 /nfs/dbraw/zinc/92/90/58/588929058.db2.gz LQDGXQOUDCPDNJ-SNVBAGLBSA-N 2 2 236.319 0.786 20 0 BCADLP Cc1[nH]c(CNC(=O)CCn2cc[nH+]c2)[nH+]c1C ZINC000896924483 583857821 /nfs/dbraw/zinc/85/78/21/583857821.db2.gz YTBDISLZKZGXGG-UHFFFAOYSA-N 2 2 247.302 0.930 20 0 BCADLP CCC[NH+]1CCC([NH2+]CC(=O)NOC)CC1 ZINC000896927898 583859559 /nfs/dbraw/zinc/85/95/59/583859559.db2.gz VFMPZDNKCMBUAO-UHFFFAOYSA-N 2 2 229.324 0.128 20 0 BCADLP Cn1cnnc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858093772 588932330 /nfs/dbraw/zinc/93/23/30/588932330.db2.gz GVGRDNUXEGMZNL-SNVBAGLBSA-N 2 2 237.351 0.778 20 0 BCADLP Cn1cnnc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858093772 588932331 /nfs/dbraw/zinc/93/23/31/588932331.db2.gz GVGRDNUXEGMZNL-SNVBAGLBSA-N 2 2 237.351 0.778 20 0 BCADLP O[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C(F)(F)F ZINC000250635687 583959212 /nfs/dbraw/zinc/95/92/12/583959212.db2.gz FNCHSUVQDCCZDX-BIIVOSGPSA-N 2 2 224.226 0.061 20 0 BCADLP C[C@@H]1CC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000858468855 588958052 /nfs/dbraw/zinc/95/80/52/588958052.db2.gz MKKHICVXGWUENH-UTUOFQBUSA-N 2 2 239.363 0.714 20 0 BCADLP C[C@@H]1CC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000858468855 588958054 /nfs/dbraw/zinc/95/80/54/588958054.db2.gz MKKHICVXGWUENH-UTUOFQBUSA-N 2 2 239.363 0.714 20 0 BCADLP Cc1cccnc1NC(=O)C[N@H+](C)CCC[NH3+] ZINC000866660654 584121578 /nfs/dbraw/zinc/12/15/78/584121578.db2.gz IESLRLRCXNOCRA-UHFFFAOYSA-N 2 2 236.319 0.609 20 0 BCADLP Cc1cccnc1NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000866660654 584121579 /nfs/dbraw/zinc/12/15/79/584121579.db2.gz IESLRLRCXNOCRA-UHFFFAOYSA-N 2 2 236.319 0.609 20 0 BCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873249921 584128355 /nfs/dbraw/zinc/12/83/55/584128355.db2.gz NJBFRJMLWBJZJZ-YFKTTZPYSA-N 3 2 227.352 0.080 20 0 BCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCn3c[nH+]cc32)C1 ZINC000898810832 584160227 /nfs/dbraw/zinc/16/02/27/584160227.db2.gz PBULOKFZTFWMMZ-MNOVXSKESA-N 2 2 248.330 0.786 20 0 BCADLP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCn3c[nH+]cc32)C1 ZINC000898810832 584160230 /nfs/dbraw/zinc/16/02/30/584160230.db2.gz PBULOKFZTFWMMZ-MNOVXSKESA-N 2 2 248.330 0.786 20 0 BCADLP C[C@@H](C[C@@H]1CCOC1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000858546935 588964164 /nfs/dbraw/zinc/96/41/64/588964164.db2.gz BMMFJBGOTMOIPP-RWMBFGLXSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H](C[C@@H]1CCOC1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000858546935 588964167 /nfs/dbraw/zinc/96/41/67/588964167.db2.gz BMMFJBGOTMOIPP-RWMBFGLXSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC1([NH3+])CC1 ZINC000899245595 584187357 /nfs/dbraw/zinc/18/73/57/584187357.db2.gz SGQHIKQJZMLSMX-VIFPVBQESA-N 2 2 237.307 0.062 20 0 BCADLP Nc1ccc(-c2cnn3c2C[NH2+]CC3)c[nH+]1 ZINC000899323078 584196477 /nfs/dbraw/zinc/19/64/77/584196477.db2.gz NCPFVKGXLBAVRD-UHFFFAOYSA-N 2 2 215.260 0.631 20 0 BCADLP O[C@@H](C[NH2+]CCCn1cc[nH+]c1)C1(O)CCC1 ZINC000899856490 584243881 /nfs/dbraw/zinc/24/38/81/584243881.db2.gz USUJXBSVUJIGAO-NSHDSACASA-N 2 2 239.319 0.139 20 0 BCADLP CON(C)C(=O)[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000858587710 588969759 /nfs/dbraw/zinc/96/97/59/588969759.db2.gz VVVCLZBORGFMBM-GMTAPVOTSA-N 2 2 243.351 0.467 20 0 BCADLP CON(C)C(=O)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000858587710 588969760 /nfs/dbraw/zinc/96/97/60/588969760.db2.gz VVVCLZBORGFMBM-GMTAPVOTSA-N 2 2 243.351 0.467 20 0 BCADLP C[NH+](C)CC(C)(C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900009244 584264819 /nfs/dbraw/zinc/26/48/19/584264819.db2.gz HBBDNGVDCWKMKR-UHFFFAOYSA-N 2 2 238.335 0.656 20 0 BCADLP C[NH+](C)CC(C)(C)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900009244 584264820 /nfs/dbraw/zinc/26/48/20/584264820.db2.gz HBBDNGVDCWKMKR-UHFFFAOYSA-N 2 2 238.335 0.656 20 0 BCADLP CC[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000900009995 584265235 /nfs/dbraw/zinc/26/52/35/584265235.db2.gz RPUSFRBAEPPFPR-UHFFFAOYSA-N 2 2 236.319 0.553 20 0 BCADLP CC[NH+]1CCC(NC(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900009995 584265236 /nfs/dbraw/zinc/26/52/36/584265236.db2.gz RPUSFRBAEPPFPR-UHFFFAOYSA-N 2 2 236.319 0.553 20 0 BCADLP CN(C)c1cc(N[C@H]2C[NH2+]CC2(C)C)nc[nH+]1 ZINC000900020866 584267335 /nfs/dbraw/zinc/26/73/35/584267335.db2.gz FMWCASGAYRMTGZ-VIFPVBQESA-N 2 2 235.335 0.953 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@H]1C[NH2+]CC1(C)C ZINC000900021244 584267511 /nfs/dbraw/zinc/26/75/11/584267511.db2.gz VKXVEMDANXIDQW-ZETCQYMHSA-N 2 2 237.307 0.477 20 0 BCADLP C[C@@H](CNC(=O)CNc1cccc[nH+]1)[NH+](C)C ZINC000900163407 584281514 /nfs/dbraw/zinc/28/15/14/584281514.db2.gz OZZFRUXRKQXVPG-JTQLQIEISA-N 2 2 236.319 0.560 20 0 BCADLP O=C(Cc1c[nH+]c[nH]1)NCC[NH+]1CCCCC1 ZINC000900207300 584286157 /nfs/dbraw/zinc/28/61/57/584286157.db2.gz UCRLXLRLKNKNAE-UHFFFAOYSA-N 2 2 236.319 0.554 20 0 BCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH+]1CCCCC1 ZINC000900207300 584286160 /nfs/dbraw/zinc/28/61/60/584286160.db2.gz UCRLXLRLKNKNAE-UHFFFAOYSA-N 2 2 236.319 0.554 20 0 BCADLP O=C(Cc1c[nH+]c[nH]1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000900216866 584286458 /nfs/dbraw/zinc/28/64/58/584286458.db2.gz YFVAHBPNLVFEIK-NEPJUHHUSA-N 2 2 248.330 0.695 20 0 BCADLP O=C(Cc1c[nH+]c[nH]1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000900216866 584286459 /nfs/dbraw/zinc/28/64/59/584286459.db2.gz YFVAHBPNLVFEIK-NEPJUHHUSA-N 2 2 248.330 0.695 20 0 BCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000900216866 584286460 /nfs/dbraw/zinc/28/64/60/584286460.db2.gz YFVAHBPNLVFEIK-NEPJUHHUSA-N 2 2 248.330 0.695 20 0 BCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000900216866 584286461 /nfs/dbraw/zinc/28/64/61/584286461.db2.gz YFVAHBPNLVFEIK-NEPJUHHUSA-N 2 2 248.330 0.695 20 0 BCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900522698 584318363 /nfs/dbraw/zinc/31/83/63/584318363.db2.gz GUSWGLFMQKPBOA-SNVBAGLBSA-N 2 2 238.335 0.799 20 0 BCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900522698 584318364 /nfs/dbraw/zinc/31/83/64/584318364.db2.gz GUSWGLFMQKPBOA-SNVBAGLBSA-N 2 2 238.335 0.799 20 0 BCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900522698 584318365 /nfs/dbraw/zinc/31/83/65/584318365.db2.gz GUSWGLFMQKPBOA-SNVBAGLBSA-N 2 2 238.335 0.799 20 0 BCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900522698 584318366 /nfs/dbraw/zinc/31/83/66/584318366.db2.gz GUSWGLFMQKPBOA-SNVBAGLBSA-N 2 2 238.335 0.799 20 0 BCADLP CC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900588684 584328853 /nfs/dbraw/zinc/32/88/53/584328853.db2.gz GESPZLLNOXTDHQ-JTQLQIEISA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900588684 584328854 /nfs/dbraw/zinc/32/88/54/584328854.db2.gz GESPZLLNOXTDHQ-JTQLQIEISA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900588684 584328855 /nfs/dbraw/zinc/32/88/55/584328855.db2.gz GESPZLLNOXTDHQ-JTQLQIEISA-N 2 2 236.319 0.553 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900618380 584332519 /nfs/dbraw/zinc/33/25/19/584332519.db2.gz JYNIDIKNXJRLOJ-ZWNOBZJWSA-N 2 2 249.314 0.206 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900618380 584332522 /nfs/dbraw/zinc/33/25/22/584332522.db2.gz JYNIDIKNXJRLOJ-ZWNOBZJWSA-N 2 2 249.314 0.206 20 0 BCADLP C[N@@H+]1CCC[C@H]1CNC(=O)CNc1cccc[nH+]1 ZINC000900696404 584339082 /nfs/dbraw/zinc/33/90/82/584339082.db2.gz XXKVKWVGQVYEDY-NSHDSACASA-N 2 2 248.330 0.704 20 0 BCADLP C[N@H+]1CCC[C@H]1CNC(=O)CNc1cccc[nH+]1 ZINC000900696404 584339083 /nfs/dbraw/zinc/33/90/83/584339083.db2.gz XXKVKWVGQVYEDY-NSHDSACASA-N 2 2 248.330 0.704 20 0 BCADLP CC(C)[C@H](C[NH+](C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900692864 584342057 /nfs/dbraw/zinc/34/20/57/584342057.db2.gz KSUNFVGAQGBINI-NSHDSACASA-N 2 2 238.335 0.655 20 0 BCADLP CC(C)[C@H](C[NH+](C)C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900692864 584342059 /nfs/dbraw/zinc/34/20/59/584342059.db2.gz KSUNFVGAQGBINI-NSHDSACASA-N 2 2 238.335 0.655 20 0 BCADLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)CC[NH2+]1 ZINC000900938377 584367428 /nfs/dbraw/zinc/36/74/28/584367428.db2.gz VQKBADPVVOCFHJ-UHFFFAOYSA-N 2 2 222.292 0.163 20 0 BCADLP C[C@@H]1[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000901305705 584420035 /nfs/dbraw/zinc/42/00/35/584420035.db2.gz ITUUXIBAJRVRRY-ZJUUUORDSA-N 2 2 236.319 0.503 20 0 BCADLP C[C@@H]1[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000901305705 584420037 /nfs/dbraw/zinc/42/00/37/584420037.db2.gz ITUUXIBAJRVRRY-ZJUUUORDSA-N 2 2 236.319 0.503 20 0 BCADLP CC1(C)C[NH2+]CC[C@H]([NH2+]CC2([NH3+])CC2)C1 ZINC000902411392 584576050 /nfs/dbraw/zinc/57/60/50/584576050.db2.gz ZBAQXAONZMTTQW-JTQLQIEISA-N 3 2 211.353 0.846 20 0 BCADLP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2C[NH2+]CCO2)C1 ZINC000902394296 584583334 /nfs/dbraw/zinc/58/33/34/584583334.db2.gz UPPZYNJZCZDJJC-NWDGAFQWSA-N 3 2 241.379 0.343 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902402474 584588255 /nfs/dbraw/zinc/58/82/55/584588255.db2.gz LUCJDANNELYITC-GRYCIOLGSA-N 3 2 225.380 0.962 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CC2([NH3+])CC2)CN1C1CC1 ZINC000902415582 584589688 /nfs/dbraw/zinc/58/96/88/584589688.db2.gz JILNTKMGHPVPGA-VHSXEESVSA-N 2 2 209.337 0.693 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCON ZINC000902418813 584591988 /nfs/dbraw/zinc/59/19/88/584591988.db2.gz NMGJFYQZFUIEEL-MWLCHTKSSA-N 2 2 213.325 0.339 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCON ZINC000902418813 584591991 /nfs/dbraw/zinc/59/19/91/584591991.db2.gz NMGJFYQZFUIEEL-MWLCHTKSSA-N 2 2 213.325 0.339 20 0 BCADLP C([NH2+][C@@H]1C[NH2+]CCOC1)[C@H]1CC[C@H](C2CC2)O1 ZINC000902431665 584595523 /nfs/dbraw/zinc/59/55/23/584595523.db2.gz TXFLZWVFGLYXDT-JHJVBQTASA-N 2 2 240.347 0.522 20 0 BCADLP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CCn2cc[nH+]c21 ZINC000902440888 584597990 /nfs/dbraw/zinc/59/79/90/584597990.db2.gz AYGUGRCBKMRDGT-ZJUUUORDSA-N 2 2 220.320 0.916 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cnn(CCF)c1 ZINC000902445537 584599218 /nfs/dbraw/zinc/59/92/18/584599218.db2.gz MNKFTQUXFNKWRL-CMPLNLGQSA-N 2 2 240.326 0.940 20 0 BCADLP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC1([NH3+])CC1 ZINC000902413297 584599796 /nfs/dbraw/zinc/59/97/96/584599796.db2.gz JQKMXLOFQFDCLV-VHSXEESVSA-N 2 2 246.376 0.423 20 0 BCADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cnn(CCF)c1 ZINC000902447034 584604045 /nfs/dbraw/zinc/60/40/45/584604045.db2.gz QNQQFPBBRMUQPL-GHMZBOCLSA-N 2 2 226.299 0.822 20 0 BCADLP Fc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000859085298 588999291 /nfs/dbraw/zinc/99/92/91/588999291.db2.gz IBBUENXXSADUTR-QWRGUYRKSA-N 2 2 221.279 0.872 20 0 BCADLP COc1nn(C)cc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000902453657 584608491 /nfs/dbraw/zinc/60/84/91/584608491.db2.gz DMQUSZKUYLKUFS-MRVPVSSYSA-N 2 2 224.308 0.126 20 0 BCADLP COc1nn(C)cc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000902456425 584610102 /nfs/dbraw/zinc/61/01/02/584610102.db2.gz ORQOLCUYZLWTQK-NXEZZACHSA-N 2 2 224.308 0.398 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1NCc1cn(C)c[nH+]1 ZINC000902459609 584610662 /nfs/dbraw/zinc/61/06/62/584610662.db2.gz DBHCIVDQJATNRZ-GXSJLCMTSA-N 2 2 208.309 0.508 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461254 584611437 /nfs/dbraw/zinc/61/14/37/584611437.db2.gz NFKNZTYZHMWRSZ-KKJSVHSVSA-N 3 2 209.337 0.596 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1NCc1cn(C)c[nH+]1 ZINC000902462345 584612335 /nfs/dbraw/zinc/61/23/35/584612335.db2.gz UWJUVBFGHUHUGK-MWLCHTKSSA-N 2 2 208.309 0.650 20 0 BCADLP C[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1[nH]cc[nH+]1 ZINC000902463206 584612349 /nfs/dbraw/zinc/61/23/49/584612349.db2.gz ZTMZZJONQCLQGJ-UTINFBMNSA-N 2 2 206.293 0.953 20 0 BCADLP C[C@H](Cc1cnccn1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902464438 584613389 /nfs/dbraw/zinc/61/33/89/584613389.db2.gz CHPTXADMLIFCOK-VCDKRKBESA-N 2 2 232.331 0.890 20 0 BCADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902465606 584613887 /nfs/dbraw/zinc/61/38/87/584613887.db2.gz HLCMVSWISFISSM-CKIKVBCHSA-N 3 2 223.364 0.986 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902490171 584617207 /nfs/dbraw/zinc/61/72/07/584617207.db2.gz UGVVJMMALKVZPM-UWVGGRQHSA-N 2 2 213.325 0.372 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902491351 584618065 /nfs/dbraw/zinc/61/80/65/584618065.db2.gz VTIJMDWJJGRTFW-MRBYEJRBSA-N 3 2 223.364 0.796 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902491351 584618069 /nfs/dbraw/zinc/61/80/69/584618069.db2.gz VTIJMDWJJGRTFW-MRBYEJRBSA-N 3 2 223.364 0.796 20 0 BCADLP C[C@@H]1CC=CC[C@H]1[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000902502361 584620493 /nfs/dbraw/zinc/62/04/93/584620493.db2.gz DQUDEGDIJDQCAZ-IJLUTSLNSA-N 2 2 210.321 0.919 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC[C@@H](O)C1CC1 ZINC000902504284 584621327 /nfs/dbraw/zinc/62/13/27/584621327.db2.gz NGZOECXRFUCJDC-KGYLQXTDSA-N 2 2 242.363 0.504 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486263 584625189 /nfs/dbraw/zinc/62/51/89/584625189.db2.gz CMWWJUDSERDURB-DDHJBXDOSA-N 3 2 227.352 0.080 20 0 BCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486264 584625399 /nfs/dbraw/zinc/62/53/99/584625399.db2.gz CMWWJUDSERDURB-FIQHERPVSA-N 3 2 227.352 0.080 20 0 BCADLP CCn1c[nH+]c(CN[C@@H](C)C[NH+](C)C)c1 ZINC000902564456 584634900 /nfs/dbraw/zinc/63/49/00/584634900.db2.gz SKWPPOFHQYXTCU-JTQLQIEISA-N 2 2 210.325 0.943 20 0 BCADLP Cc1[nH+]ccn1CCCON=C(N)C[NH+](C)C ZINC000902611967 584643692 /nfs/dbraw/zinc/64/36/92/584643692.db2.gz HUNFUUPEHOIJFT-UHFFFAOYSA-N 2 2 239.323 0.642 20 0 BCADLP CNc1ccccc1C[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000902626232 584645924 /nfs/dbraw/zinc/64/59/24/584645924.db2.gz RWYZQXNDGDHOJE-CYBMUJFWSA-N 2 2 249.358 0.885 20 0 BCADLP CNc1ccccc1C[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000902626232 584645925 /nfs/dbraw/zinc/64/59/25/584645925.db2.gz RWYZQXNDGDHOJE-CYBMUJFWSA-N 2 2 249.358 0.885 20 0 BCADLP C(C[NH+]1CCCC1)[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903059438 584722736 /nfs/dbraw/zinc/72/27/36/584722736.db2.gz XOYLMRDMOVRAAM-OLZOCXBDSA-N 2 2 240.347 0.620 20 0 BCADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000903129355 584730059 /nfs/dbraw/zinc/73/00/59/584730059.db2.gz UFPRKXXNBBGGSG-WHOHXGKFSA-N 2 2 240.347 0.868 20 0 BCADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000903129355 584730060 /nfs/dbraw/zinc/73/00/60/584730060.db2.gz UFPRKXXNBBGGSG-WHOHXGKFSA-N 2 2 240.347 0.868 20 0 BCADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903210408 584736999 /nfs/dbraw/zinc/73/69/99/584736999.db2.gz XLZGXVILDJAWRZ-YNEHKIRRSA-N 2 2 240.347 0.618 20 0 BCADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903210408 584737000 /nfs/dbraw/zinc/73/70/00/584737000.db2.gz XLZGXVILDJAWRZ-YNEHKIRRSA-N 2 2 240.347 0.618 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000903300098 584743589 /nfs/dbraw/zinc/74/35/89/584743589.db2.gz GDHBYFLLRDDIIH-KQSJRHEJSA-N 2 2 240.347 0.866 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000903300098 584743591 /nfs/dbraw/zinc/74/35/91/584743591.db2.gz GDHBYFLLRDDIIH-KQSJRHEJSA-N 2 2 240.347 0.866 20 0 BCADLP OCCC1CC([NH2+][C@H]2C[N@@H+]3C[C@@H]2CCC3)C1 ZINC000903332420 584754770 /nfs/dbraw/zinc/75/47/70/584754770.db2.gz IZYYLJHSWXOZEK-MVKMKZAISA-N 2 2 224.348 0.831 20 0 BCADLP OCCC1CC([NH2+][C@H]2C[N@H+]3C[C@@H]2CCC3)C1 ZINC000903332420 584754771 /nfs/dbraw/zinc/75/47/71/584754771.db2.gz IZYYLJHSWXOZEK-MVKMKZAISA-N 2 2 224.348 0.831 20 0 BCADLP COC[C@@](C)(CCO)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000903441449 584763758 /nfs/dbraw/zinc/76/37/58/584763758.db2.gz SJZKQAJDBKTSQI-GHMZBOCLSA-N 2 2 216.325 0.116 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H]2CCN(OC)C2=O)C1 ZINC000903421288 584764041 /nfs/dbraw/zinc/76/40/41/584764041.db2.gz KHWXPXBTNZLGIA-GHMZBOCLSA-N 2 2 241.335 0.080 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCN(OC)C2=O)C1 ZINC000903421288 584764042 /nfs/dbraw/zinc/76/40/42/584764042.db2.gz KHWXPXBTNZLGIA-GHMZBOCLSA-N 2 2 241.335 0.080 20 0 BCADLP C[C@H](c1ncccn1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000903422615 584764278 /nfs/dbraw/zinc/76/42/78/584764278.db2.gz GKJNTRBSKKEGAA-ZJUUUORDSA-N 2 2 206.293 0.818 20 0 BCADLP C[C@H](c1ncccn1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000903422615 584764280 /nfs/dbraw/zinc/76/42/80/584764280.db2.gz GKJNTRBSKKEGAA-ZJUUUORDSA-N 2 2 206.293 0.818 20 0 BCADLP COC[C@](C)(CC(=O)OC)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000903459009 584766123 /nfs/dbraw/zinc/76/61/23/584766123.db2.gz PIXHLGUIXFWKFX-PWSUYJOCSA-N 2 2 244.335 0.296 20 0 BCADLP CC[C@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CC[C@H]1[NH3+] ZINC000903450463 584772323 /nfs/dbraw/zinc/77/23/23/584772323.db2.gz WLIYNHYITRJXQJ-MROQNXINSA-N 3 2 225.380 0.901 20 0 BCADLP CC[C@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CC[C@H]1[NH3+] ZINC000903450463 584772324 /nfs/dbraw/zinc/77/23/24/584772324.db2.gz WLIYNHYITRJXQJ-MROQNXINSA-N 3 2 225.380 0.901 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000903454580 584773213 /nfs/dbraw/zinc/77/32/13/584773213.db2.gz CRVKRANRVGFGSQ-NJMOYASZSA-N 3 2 225.380 0.818 20 0 BCADLP Cc1nc(C[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)no1 ZINC000903455984 584774311 /nfs/dbraw/zinc/77/43/11/584774311.db2.gz ATYWUHNHYMMTPA-ZJUUUORDSA-N 2 2 224.308 0.937 20 0 BCADLP Cc1nc(C[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)no1 ZINC000903455984 584774312 /nfs/dbraw/zinc/77/43/12/584774312.db2.gz ATYWUHNHYMMTPA-ZJUUUORDSA-N 2 2 224.308 0.937 20 0 BCADLP CN1CCC[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1=O ZINC000903472016 584776070 /nfs/dbraw/zinc/77/60/70/584776070.db2.gz PFJDMMAZWLLRHZ-QWRGUYRKSA-N 2 2 237.347 0.481 20 0 BCADLP CC(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCC[NH2+]3)C[C@@H]2C1 ZINC000903482915 584778809 /nfs/dbraw/zinc/77/88/09/584778809.db2.gz YMALEIXSTGGFAB-FRRDWIJNSA-N 2 2 237.347 0.149 20 0 BCADLP CC(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCC[NH2+]3)C[C@@H]2C1 ZINC000903482915 584778810 /nfs/dbraw/zinc/77/88/10/584778810.db2.gz YMALEIXSTGGFAB-FRRDWIJNSA-N 2 2 237.347 0.149 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000903482586 584779090 /nfs/dbraw/zinc/77/90/90/584779090.db2.gz LVCUGZKCTDSUPZ-YTWAJWBKSA-N 3 2 211.353 0.557 20 0 BCADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C(=O)NC1CC1 ZINC000903465047 584779293 /nfs/dbraw/zinc/77/92/93/584779293.db2.gz DHXRDYNZQTWIPN-KOLCDFICSA-N 2 2 237.347 0.528 20 0 BCADLP C[NH2+]CCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903484868 584779313 /nfs/dbraw/zinc/77/93/13/584779313.db2.gz XFLMULMMEDNSQI-LLVKDONJSA-N 3 2 211.353 0.860 20 0 BCADLP C[NH2+]CCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903484869 584779646 /nfs/dbraw/zinc/77/96/46/584779646.db2.gz XFLMULMMEDNSQI-NSHDSACASA-N 3 2 211.353 0.860 20 0 BCADLP CC(C)NC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903486338 584780120 /nfs/dbraw/zinc/78/01/20/584780120.db2.gz UTERWVJIGXQKCM-LLVKDONJSA-N 2 2 239.363 0.775 20 0 BCADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@H]1CC[NH3+] ZINC000903498477 584780197 /nfs/dbraw/zinc/78/01/97/584780197.db2.gz HBBKJTFXNBOCNF-VXGBXAGGSA-N 3 2 236.363 0.879 20 0 BCADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@H]1CC[NH3+] ZINC000903498477 584780199 /nfs/dbraw/zinc/78/01/99/584780199.db2.gz HBBKJTFXNBOCNF-VXGBXAGGSA-N 3 2 236.363 0.879 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903556662 584783038 /nfs/dbraw/zinc/78/30/38/584783038.db2.gz DEYPZFPWJWXWFG-SNVBAGLBSA-N 2 2 227.352 0.524 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903556662 584783039 /nfs/dbraw/zinc/78/30/39/584783039.db2.gz DEYPZFPWJWXWFG-SNVBAGLBSA-N 2 2 227.352 0.524 20 0 BCADLP CCCCNC(=O)CC[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903555811 584783208 /nfs/dbraw/zinc/78/32/08/584783208.db2.gz CGSOBHIFBNMLLI-LLVKDONJSA-N 2 2 241.379 0.962 20 0 BCADLP CCCCNC(=O)CC[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903555811 584783209 /nfs/dbraw/zinc/78/32/09/584783209.db2.gz CGSOBHIFBNMLLI-LLVKDONJSA-N 2 2 241.379 0.962 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cnn(CCF)c2)C1 ZINC000903716538 584791881 /nfs/dbraw/zinc/79/18/81/584791881.db2.gz OLMXYIOCQHXWOP-LLVKDONJSA-N 2 2 240.326 0.894 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cnn(CCF)c2)C1 ZINC000903716538 584791882 /nfs/dbraw/zinc/79/18/82/584791882.db2.gz OLMXYIOCQHXWOP-LLVKDONJSA-N 2 2 240.326 0.894 20 0 BCADLP [NH3+][C@@H]1CC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903712859 584793438 /nfs/dbraw/zinc/79/34/38/584793438.db2.gz AIUNUQYWHIUKBO-VXGBXAGGSA-N 3 2 239.363 0.178 20 0 BCADLP [NH3+][C@@H]1CC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903712859 584793439 /nfs/dbraw/zinc/79/34/39/584793439.db2.gz AIUNUQYWHIUKBO-VXGBXAGGSA-N 3 2 239.363 0.178 20 0 BCADLP [NH3+][C@@H]1CCC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903713233 584793665 /nfs/dbraw/zinc/79/36/65/584793665.db2.gz JDJRVSMBLBLIFC-AGIUHOORSA-N 3 2 239.363 0.178 20 0 BCADLP [NH3+][C@@H]1CCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903713233 584793667 /nfs/dbraw/zinc/79/36/67/584793667.db2.gz JDJRVSMBLBLIFC-AGIUHOORSA-N 3 2 239.363 0.178 20 0 BCADLP Cc1cn(C)nc1C[NH2+]CC1([NH3+])CCC1 ZINC000903743856 584796477 /nfs/dbraw/zinc/79/64/77/584796477.db2.gz OMSICWGFEHPINE-UHFFFAOYSA-N 2 2 208.309 0.700 20 0 BCADLP COCC(COC)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000903761516 584797337 /nfs/dbraw/zinc/79/73/37/584797337.db2.gz VHOGIUYMZFIZIM-LBPRGKRZSA-N 2 2 228.336 0.476 20 0 BCADLP COCC(COC)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000903761516 584797338 /nfs/dbraw/zinc/79/73/38/584797338.db2.gz VHOGIUYMZFIZIM-LBPRGKRZSA-N 2 2 228.336 0.476 20 0 BCADLP C[NH2+]CCC[N@H+](C)Cc1[nH]nc2c1COCC2 ZINC000903761456 584797617 /nfs/dbraw/zinc/79/76/17/584797617.db2.gz SXVZMBWAJAARFW-UHFFFAOYSA-N 2 2 238.335 0.524 20 0 BCADLP C[NH2+]CCC[N@@H+](C)Cc1[nH]nc2c1COCC2 ZINC000903761456 584797618 /nfs/dbraw/zinc/79/76/18/584797618.db2.gz SXVZMBWAJAARFW-UHFFFAOYSA-N 2 2 238.335 0.524 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903774923 584799345 /nfs/dbraw/zinc/79/93/45/584799345.db2.gz CECRWCRRDDOCIC-VXGBXAGGSA-N 3 2 241.379 0.424 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903774923 584799347 /nfs/dbraw/zinc/79/93/47/584799347.db2.gz CECRWCRRDDOCIC-VXGBXAGGSA-N 3 2 241.379 0.424 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903778646 584799946 /nfs/dbraw/zinc/79/99/46/584799946.db2.gz QJQXIFQQOKQYIH-VOAKCMCISA-N 3 2 239.363 0.177 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903778646 584799947 /nfs/dbraw/zinc/79/99/47/584799947.db2.gz QJQXIFQQOKQYIH-VOAKCMCISA-N 3 2 239.363 0.177 20 0 BCADLP C[NH2+]CCC[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903817649 584800846 /nfs/dbraw/zinc/80/08/46/584800846.db2.gz CEXHUBMBPBUZFU-UHFFFAOYSA-N 3 2 241.379 0.440 20 0 BCADLP C[NH2+]CCC[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903817649 584800847 /nfs/dbraw/zinc/80/08/47/584800847.db2.gz CEXHUBMBPBUZFU-UHFFFAOYSA-N 3 2 241.379 0.440 20 0 BCADLP CN(C)C(=O)CC[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903800847 584801427 /nfs/dbraw/zinc/80/14/27/584801427.db2.gz JECDKZIMBOKBQZ-YPMHNXCESA-N 2 2 239.363 0.668 20 0 BCADLP CN(C)C(=O)CC[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903800847 584801428 /nfs/dbraw/zinc/80/14/28/584801428.db2.gz JECDKZIMBOKBQZ-YPMHNXCESA-N 2 2 239.363 0.668 20 0 BCADLP CC1(C)C[NH2+]C[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000903820858 584804067 /nfs/dbraw/zinc/80/40/67/584804067.db2.gz DGTOAYAPEVBBPF-LBPRGKRZSA-N 2 2 247.342 0.873 20 0 BCADLP Cc1noc(C[C@@H]2CCC[N@H+](CC[NH3+])C2)n1 ZINC000903824283 584804342 /nfs/dbraw/zinc/80/43/42/584804342.db2.gz PBDBBONRQDKODJ-JTQLQIEISA-N 2 2 224.308 0.591 20 0 BCADLP Cc1noc(C[C@@H]2CCC[N@@H+](CC[NH3+])C2)n1 ZINC000903824283 584804344 /nfs/dbraw/zinc/80/43/44/584804344.db2.gz PBDBBONRQDKODJ-JTQLQIEISA-N 2 2 224.308 0.591 20 0 BCADLP COc1ccc(C[N@H+](CC[NH3+])CCCO)cc1 ZINC000903833451 584806251 /nfs/dbraw/zinc/80/62/51/584806251.db2.gz WWTWUXSCDRVMSK-UHFFFAOYSA-N 2 2 238.331 0.838 20 0 BCADLP COc1ccc(C[N@@H+](CC[NH3+])CCCO)cc1 ZINC000903833451 584806252 /nfs/dbraw/zinc/80/62/52/584806252.db2.gz WWTWUXSCDRVMSK-UHFFFAOYSA-N 2 2 238.331 0.838 20 0 BCADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccon1)C2 ZINC000903843282 584807545 /nfs/dbraw/zinc/80/75/45/584807545.db2.gz HJYJYNPNQFGJHV-QXEWZRGKSA-N 2 2 207.277 0.986 20 0 BCADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccon1)C2 ZINC000903843282 584807547 /nfs/dbraw/zinc/80/75/47/584807547.db2.gz HJYJYNPNQFGJHV-QXEWZRGKSA-N 2 2 207.277 0.986 20 0 BCADLP C[C@@H]1CC=CC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000903849508 584808079 /nfs/dbraw/zinc/80/80/79/584808079.db2.gz CGOMSWQTVSVJFU-GRYCIOLGSA-N 2 2 210.321 0.919 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903853555 584808081 /nfs/dbraw/zinc/80/80/81/584808081.db2.gz FXUOGYCLFNPAQJ-DGCLKSJQSA-N 2 2 239.363 0.668 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903853555 584808082 /nfs/dbraw/zinc/80/80/82/584808082.db2.gz FXUOGYCLFNPAQJ-DGCLKSJQSA-N 2 2 239.363 0.668 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903857007 584810032 /nfs/dbraw/zinc/81/00/32/584810032.db2.gz BTPALCMDNYTZPU-WCQYABFASA-N 3 2 234.347 0.776 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903857007 584810034 /nfs/dbraw/zinc/81/00/34/584810034.db2.gz BTPALCMDNYTZPU-WCQYABFASA-N 3 2 234.347 0.776 20 0 BCADLP Cn1c[nH+]cc1CCN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903857007 584810035 /nfs/dbraw/zinc/81/00/35/584810035.db2.gz BTPALCMDNYTZPU-WCQYABFASA-N 2 2 234.347 0.776 20 0 BCADLP CCOC(=O)CC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903859145 584810881 /nfs/dbraw/zinc/81/08/81/584810881.db2.gz LGQUOJLFAZJXCH-PWSUYJOCSA-N 2 2 226.320 0.753 20 0 BCADLP CCOC(=O)CC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903859145 584810883 /nfs/dbraw/zinc/81/08/83/584810883.db2.gz LGQUOJLFAZJXCH-PWSUYJOCSA-N 2 2 226.320 0.753 20 0 BCADLP Nc1cc(C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])ccn1 ZINC000903859841 584811151 /nfs/dbraw/zinc/81/11/51/584811151.db2.gz OZKFREIELGXOKQ-WCQYABFASA-N 2 2 232.331 0.977 20 0 BCADLP Nc1cc(C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])ccn1 ZINC000903859841 584811153 /nfs/dbraw/zinc/81/11/53/584811153.db2.gz OZKFREIELGXOKQ-WCQYABFASA-N 2 2 232.331 0.977 20 0 BCADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000903873080 584815004 /nfs/dbraw/zinc/81/50/04/584815004.db2.gz FLUQBSGRCSGPDV-BDAKNGLRSA-N 2 2 222.279 0.673 20 0 BCADLP COCCOCC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903858446 584811353 /nfs/dbraw/zinc/81/13/53/584811353.db2.gz YLVREWWHWZPYIT-VXGBXAGGSA-N 2 2 228.336 0.463 20 0 BCADLP COCCOCC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903858446 584811354 /nfs/dbraw/zinc/81/13/54/584811354.db2.gz YLVREWWHWZPYIT-VXGBXAGGSA-N 2 2 228.336 0.463 20 0 BCADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@@H](CO)C1 ZINC000903873080 584815006 /nfs/dbraw/zinc/81/50/06/584815006.db2.gz FLUQBSGRCSGPDV-BDAKNGLRSA-N 2 2 222.279 0.673 20 0 BCADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@H](O)C1 ZINC000903873165 584815420 /nfs/dbraw/zinc/81/54/20/584815420.db2.gz LOELXGDKDOMFAG-SFYZADRCSA-N 2 2 208.252 0.426 20 0 BCADLP C[N@H+](C[C@H]([NH3+])CC(F)F)[C@H]1CCCCNC1=O ZINC000903889414 584813567 /nfs/dbraw/zinc/81/35/67/584813567.db2.gz RTWFHPDSAQJPEO-BDAKNGLRSA-N 2 2 249.305 0.569 20 0 BCADLP C[N@@H+](C[C@H]([NH3+])CC(F)F)[C@H]1CCCCNC1=O ZINC000903889414 584813569 /nfs/dbraw/zinc/81/35/69/584813569.db2.gz RTWFHPDSAQJPEO-BDAKNGLRSA-N 2 2 249.305 0.569 20 0 BCADLP NC(=O)C[C@H]1CCCC[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000903888610 584813615 /nfs/dbraw/zinc/81/36/15/584813615.db2.gz HCXXBTRBFNHQNH-RKDXNWHRSA-N 2 2 249.305 0.699 20 0 BCADLP NC(=O)C[C@H]1CCCC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000903888610 584813616 /nfs/dbraw/zinc/81/36/16/584813616.db2.gz HCXXBTRBFNHQNH-RKDXNWHRSA-N 2 2 249.305 0.699 20 0 BCADLP c1nc2n(n1)[C@@H](C[N@@H+]1CCC[C@@]13CC[NH2+]C3)CC2 ZINC000903869123 584813785 /nfs/dbraw/zinc/81/37/85/584813785.db2.gz BOYAQDTYENWQPO-YPMHNXCESA-N 2 2 247.346 0.593 20 0 BCADLP c1nc2n(n1)[C@@H](C[N@H+]1CCC[C@@]13CC[NH2+]C3)CC2 ZINC000903869123 584813786 /nfs/dbraw/zinc/81/37/86/584813786.db2.gz BOYAQDTYENWQPO-YPMHNXCESA-N 2 2 247.346 0.593 20 0 BCADLP C(C[N@@H+]1CCC[C@@]12CC[NH2+]C2)O[C@@H]1CCOC1 ZINC000903869125 584813811 /nfs/dbraw/zinc/81/38/11/584813811.db2.gz BOZVWYAAOHJFEH-OLZOCXBDSA-N 2 2 240.347 0.620 20 0 BCADLP C(C[N@H+]1CCC[C@@]12CC[NH2+]C2)O[C@@H]1CCOC1 ZINC000903869125 584813812 /nfs/dbraw/zinc/81/38/12/584813812.db2.gz BOZVWYAAOHJFEH-OLZOCXBDSA-N 2 2 240.347 0.620 20 0 BCADLP c1nc2n(n1)[C@@H](C[N@@H+]1CCC[C@]13CC[NH2+]C3)CC2 ZINC000903869121 584814019 /nfs/dbraw/zinc/81/40/19/584814019.db2.gz BOYAQDTYENWQPO-DGCLKSJQSA-N 2 2 247.346 0.593 20 0 BCADLP c1nc2n(n1)[C@@H](C[N@H+]1CCC[C@]13CC[NH2+]C3)CC2 ZINC000903869121 584814020 /nfs/dbraw/zinc/81/40/20/584814020.db2.gz BOYAQDTYENWQPO-DGCLKSJQSA-N 2 2 247.346 0.593 20 0 BCADLP CSC[C@@H](O)C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869337 584814311 /nfs/dbraw/zinc/81/43/11/584814311.db2.gz HCBJBKZRJMKGIF-WDEREUQCSA-N 2 2 230.377 0.538 20 0 BCADLP CSC[C@@H](O)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869337 584814312 /nfs/dbraw/zinc/81/43/12/584814312.db2.gz HCBJBKZRJMKGIF-WDEREUQCSA-N 2 2 230.377 0.538 20 0 BCADLP COC[C@H](C[N@@H+]1CCC[C@]12CC[NH2+]C2)OC ZINC000903871836 584815071 /nfs/dbraw/zinc/81/50/71/584815071.db2.gz WFKNIDMROOEDBL-NWDGAFQWSA-N 2 2 228.336 0.476 20 0 BCADLP COC[C@H](C[N@H+]1CCC[C@]12CC[NH2+]C2)OC ZINC000903871836 584815073 /nfs/dbraw/zinc/81/50/73/584815073.db2.gz WFKNIDMROOEDBL-NWDGAFQWSA-N 2 2 228.336 0.476 20 0 BCADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@H](CO)C1 ZINC000903873082 584815230 /nfs/dbraw/zinc/81/52/30/584815230.db2.gz FLUQBSGRCSGPDV-DTWKUNHWSA-N 2 2 222.279 0.673 20 0 BCADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@H](CO)C1 ZINC000903873082 584815231 /nfs/dbraw/zinc/81/52/31/584815231.db2.gz FLUQBSGRCSGPDV-DTWKUNHWSA-N 2 2 222.279 0.673 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903871423 584815236 /nfs/dbraw/zinc/81/52/36/584815236.db2.gz UKIUKDJJMXXXIM-CYBMUJFWSA-N 2 2 239.363 0.683 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903871423 584815237 /nfs/dbraw/zinc/81/52/37/584815237.db2.gz UKIUKDJJMXXXIM-CYBMUJFWSA-N 2 2 239.363 0.683 20 0 BCADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@H](O)C1 ZINC000903873165 584815418 /nfs/dbraw/zinc/81/54/18/584815418.db2.gz LOELXGDKDOMFAG-SFYZADRCSA-N 2 2 208.252 0.426 20 0 BCADLP [NH3+][C@H](CC(F)F)C[N@H+](CCO)C1CC1 ZINC000903884418 584818979 /nfs/dbraw/zinc/81/89/79/584818979.db2.gz ZNGPRCVCLPIYHG-SSDOTTSWSA-N 2 2 208.252 0.426 20 0 BCADLP [NH3+][C@H](CC(F)F)C[N@@H+](CCO)C1CC1 ZINC000903884418 584818980 /nfs/dbraw/zinc/81/89/80/584818980.db2.gz ZNGPRCVCLPIYHG-SSDOTTSWSA-N 2 2 208.252 0.426 20 0 BCADLP CNC(=O)[C@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903892713 584819037 /nfs/dbraw/zinc/81/90/37/584819037.db2.gz LZKMHHBTRSBQCB-IUCAKERBSA-N 2 2 249.305 0.427 20 0 BCADLP CNC(=O)[C@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903892713 584819038 /nfs/dbraw/zinc/81/90/38/584819038.db2.gz LZKMHHBTRSBQCB-IUCAKERBSA-N 2 2 249.305 0.427 20 0 BCADLP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903884430 584819190 /nfs/dbraw/zinc/81/91/90/584819190.db2.gz ZPQJJOKEIHKEPZ-HLTSFMKQSA-N 2 2 249.305 0.555 20 0 BCADLP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903884430 584819192 /nfs/dbraw/zinc/81/91/92/584819192.db2.gz ZPQJJOKEIHKEPZ-HLTSFMKQSA-N 2 2 249.305 0.555 20 0 BCADLP CNC(=O)CC[N@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903892828 584819223 /nfs/dbraw/zinc/81/92/23/584819223.db2.gz XLKHMYJEFMAZQG-ZETCQYMHSA-N 2 2 223.267 0.037 20 0 BCADLP CNC(=O)CC[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903892828 584819224 /nfs/dbraw/zinc/81/92/24/584819224.db2.gz XLKHMYJEFMAZQG-ZETCQYMHSA-N 2 2 223.267 0.037 20 0 BCADLP C[N@H+](CCc1cnccn1)C[C@H]([NH3+])CC(F)F ZINC000903910803 584822101 /nfs/dbraw/zinc/82/21/01/584822101.db2.gz REHUQEJSRQKOPW-SECBINFHSA-N 2 2 244.289 0.933 20 0 BCADLP C[N@@H+](CCc1cnccn1)C[C@H]([NH3+])CC(F)F ZINC000903910803 584822102 /nfs/dbraw/zinc/82/21/02/584822102.db2.gz REHUQEJSRQKOPW-SECBINFHSA-N 2 2 244.289 0.933 20 0 BCADLP C[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903913098 584822588 /nfs/dbraw/zinc/82/25/88/584822588.db2.gz LYKWEYSLLHQYRX-CSMHCCOUSA-N 2 2 208.252 0.424 20 0 BCADLP C[C@@H]1C[C@H](O)C[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903913098 584822589 /nfs/dbraw/zinc/82/25/89/584822589.db2.gz LYKWEYSLLHQYRX-CSMHCCOUSA-N 2 2 208.252 0.424 20 0 BCADLP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)CC(F)F ZINC000903920572 584823231 /nfs/dbraw/zinc/82/32/31/584823231.db2.gz WCNQDSCVLKORSP-HRDYMLBCSA-N 3 2 221.295 0.828 20 0 BCADLP CC(C)N1CC[C@@H]([NH2+]C[C@H]([NH3+])CC(F)F)C1=O ZINC000903923340 584823541 /nfs/dbraw/zinc/82/35/41/584823541.db2.gz QYROOFSAXPQFGB-RKDXNWHRSA-N 2 2 249.305 0.568 20 0 BCADLP Cc1c(C[NH2+]C[C@@H]([NH3+])CC(F)F)cnn1C ZINC000903927061 584824349 /nfs/dbraw/zinc/82/43/49/584824349.db2.gz POUPAZRLDDHIKW-VIFPVBQESA-N 2 2 232.278 0.801 20 0 BCADLP C[C@]12COC[C@H]1C[N@H+](C[C@H]([NH3+])CC(F)F)C2 ZINC000903933092 584824929 /nfs/dbraw/zinc/82/49/29/584824929.db2.gz LAOGLBHMADLLIG-KKZNHRDASA-N 2 2 234.290 0.937 20 0 BCADLP C[C@]12COC[C@H]1C[N@@H+](C[C@H]([NH3+])CC(F)F)C2 ZINC000903933092 584824930 /nfs/dbraw/zinc/82/49/30/584824930.db2.gz LAOGLBHMADLLIG-KKZNHRDASA-N 2 2 234.290 0.937 20 0 BCADLP CCn1nccc1C[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903932303 584825356 /nfs/dbraw/zinc/82/53/56/584825356.db2.gz ALAXQBRGTSBOJH-MRVPVSSYSA-N 2 2 232.278 0.975 20 0 BCADLP [NH3+]CC1(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903957662 584827869 /nfs/dbraw/zinc/82/78/69/584827869.db2.gz SETBJDOUUAMRJW-SECBINFHSA-N 3 2 233.306 0.560 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1cnc(N)s1 ZINC000903964793 584834403 /nfs/dbraw/zinc/83/44/03/584834403.db2.gz VZFHSODNGMKJNW-HTRCEHHLSA-N 2 2 212.322 0.423 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000903967343 584835092 /nfs/dbraw/zinc/83/50/92/584835092.db2.gz HTSIGDRIPHVHML-MNOVXSKESA-N 3 2 211.353 0.526 20 0 BCADLP CCC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CC[NH2+]C1 ZINC000904299380 584860197 /nfs/dbraw/zinc/86/01/97/584860197.db2.gz CBMYCCAWAMGPNY-TUAOUCFPSA-N 3 2 211.353 0.798 20 0 BCADLP CCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CC[NH2+]C1 ZINC000904299380 584860198 /nfs/dbraw/zinc/86/01/98/584860198.db2.gz CBMYCCAWAMGPNY-TUAOUCFPSA-N 3 2 211.353 0.798 20 0 BCADLP [NH3+]Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000904298711 584860242 /nfs/dbraw/zinc/86/02/42/584860242.db2.gz YFWMJXAREKNWDA-GFCCVEGCSA-N 3 2 205.305 0.678 20 0 BCADLP [NH3+]Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000904298711 584860244 /nfs/dbraw/zinc/86/02/44/584860244.db2.gz YFWMJXAREKNWDA-GFCCVEGCSA-N 3 2 205.305 0.678 20 0 BCADLP CCC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CC[NH2+]C1 ZINC000904299377 584860394 /nfs/dbraw/zinc/86/03/94/584860394.db2.gz CBMYCCAWAMGPNY-GRYCIOLGSA-N 3 2 211.353 0.798 20 0 BCADLP CCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CC[NH2+]C1 ZINC000904299377 584860395 /nfs/dbraw/zinc/86/03/95/584860395.db2.gz CBMYCCAWAMGPNY-GRYCIOLGSA-N 3 2 211.353 0.798 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(N)nn2)C1 ZINC000904299815 584860808 /nfs/dbraw/zinc/86/08/08/584860808.db2.gz PAHVKHPAYACPDX-JTQLQIEISA-N 2 2 235.335 0.490 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(N)nn2)C1 ZINC000904299815 584860810 /nfs/dbraw/zinc/86/08/10/584860810.db2.gz PAHVKHPAYACPDX-JTQLQIEISA-N 2 2 235.335 0.490 20 0 BCADLP CC(C)NC(=O)C[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904304147 584861662 /nfs/dbraw/zinc/86/16/62/584861662.db2.gz SNXPVMIXHYBTMK-CYBMUJFWSA-N 2 2 241.379 0.833 20 0 BCADLP CC(C)NC(=O)C[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904304147 584861664 /nfs/dbraw/zinc/86/16/64/584861664.db2.gz SNXPVMIXHYBTMK-CYBMUJFWSA-N 2 2 241.379 0.833 20 0 BCADLP CN(C)C(=O)C[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904304317 584862204 /nfs/dbraw/zinc/86/22/04/584862204.db2.gz YQNQPOUMFKSODW-LBPRGKRZSA-N 2 2 227.352 0.396 20 0 BCADLP CN(C)C(=O)C[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904304317 584862205 /nfs/dbraw/zinc/86/22/05/584862205.db2.gz YQNQPOUMFKSODW-LBPRGKRZSA-N 2 2 227.352 0.396 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@H](CO)O1 ZINC000904345499 584868561 /nfs/dbraw/zinc/86/85/61/584868561.db2.gz FWOLLEDNKZEFEC-UPJWGTAASA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@H](CO)O1 ZINC000904345499 584868562 /nfs/dbraw/zinc/86/85/62/584868562.db2.gz FWOLLEDNKZEFEC-UPJWGTAASA-N 2 2 242.363 0.458 20 0 BCADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904351004 584869301 /nfs/dbraw/zinc/86/93/01/584869301.db2.gz TXOBWDKPSWJLQD-MMWGEVLESA-N 3 2 215.316 0.356 20 0 BCADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904351004 584869302 /nfs/dbraw/zinc/86/93/02/584869302.db2.gz TXOBWDKPSWJLQD-MMWGEVLESA-N 3 2 215.316 0.356 20 0 BCADLP C[NH2+]CCC[NH2+]Cc1nccn1C1CC1 ZINC000904353223 584869925 /nfs/dbraw/zinc/86/99/25/584869925.db2.gz JFPPKHYCYAGQDM-UHFFFAOYSA-N 2 2 208.309 0.917 20 0 BCADLP CC[NH2+]CC[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904352842 584869960 /nfs/dbraw/zinc/86/99/60/584869960.db2.gz DGDXPQPPOSBKBI-UHFFFAOYSA-N 3 2 207.321 0.844 20 0 BCADLP C[C@]1(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CCC[NH2+]C1 ZINC000904355282 584870729 /nfs/dbraw/zinc/87/07/29/584870729.db2.gz PJYUIGZRUGDPHH-SRVKXCTJSA-N 3 2 229.343 0.666 20 0 BCADLP C[C@]1(C[NH2+]C[C@@H]([NH3+])C2CC2)CCC[NH2+]C1 ZINC000904355725 584871221 /nfs/dbraw/zinc/87/12/21/584871221.db2.gz QWVHZJICDOGQCB-NEPJUHHUSA-N 3 2 211.353 0.703 20 0 BCADLP C[C@H](C[NH3+])[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000904356734 584871238 /nfs/dbraw/zinc/87/12/38/584871238.db2.gz ZFTMFNOFPJICPN-SNVBAGLBSA-N 2 2 235.331 0.825 20 0 BCADLP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N)nn1 ZINC000904356279 584871458 /nfs/dbraw/zinc/87/14/58/584871458.db2.gz UZTGNIMOGOFCNQ-WPRPVWTQSA-N 2 2 221.308 0.146 20 0 BCADLP C[C@]1(C[NH2+]C[C@H]2C[NH2+]CCCO2)CCC[NH2+]C1 ZINC000904357721 584871977 /nfs/dbraw/zinc/87/19/77/584871977.db2.gz ANMRJVWTGUFTHO-OLZOCXBDSA-N 3 2 241.379 0.344 20 0 BCADLP Nc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)nn1 ZINC000904358078 584872408 /nfs/dbraw/zinc/87/24/08/584872408.db2.gz HFJNHKZBOWLMML-SNVBAGLBSA-N 2 2 247.346 0.823 20 0 BCADLP CC[NH+](CC)CCC[NH2+]Cc1ccc(N)nn1 ZINC000904367801 584872754 /nfs/dbraw/zinc/87/27/54/584872754.db2.gz JSHHUAUWJUVOHP-UHFFFAOYSA-N 2 2 237.351 0.880 20 0 BCADLP C[C@]1(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904371508 584873173 /nfs/dbraw/zinc/87/31/73/584873173.db2.gz OULDXDUMGWBQOO-STQMWFEESA-N 3 2 241.379 0.426 20 0 BCADLP C[C@]1(C[N@H+]2CCCO[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904371508 584873175 /nfs/dbraw/zinc/87/31/75/584873175.db2.gz OULDXDUMGWBQOO-STQMWFEESA-N 3 2 241.379 0.426 20 0 BCADLP [NH3+]Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000904371682 584873487 /nfs/dbraw/zinc/87/34/87/584873487.db2.gz QYKLLMGGYWXUJM-ZDUSSCGKSA-N 3 2 235.331 0.223 20 0 BCADLP CC(C)([NH3+])C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000904391520 584875225 /nfs/dbraw/zinc/87/52/25/584875225.db2.gz HUBCSMKTBNPRMV-LLVKDONJSA-N 3 2 241.379 0.554 20 0 BCADLP CC(C)CCCN1CC[NH2+]CC[NH2+]CC1 ZINC000904396779 584875244 /nfs/dbraw/zinc/87/52/44/584875244.db2.gz QGPBKCGUXZJURS-UHFFFAOYSA-N 2 2 213.369 0.917 20 0 BCADLP CC[N@H+](CC[NH3+])Cc1ccc(C[NH3+])cc1 ZINC000904380898 584876648 /nfs/dbraw/zinc/87/66/48/584876648.db2.gz PIUSAQMUOGPVSD-UHFFFAOYSA-N 3 2 207.321 0.926 20 0 BCADLP CC[N@@H+](CC[NH3+])Cc1ccc(C[NH3+])cc1 ZINC000904380898 584876649 /nfs/dbraw/zinc/87/66/49/584876649.db2.gz PIUSAQMUOGPVSD-UHFFFAOYSA-N 3 2 207.321 0.926 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000904381738 584877088 /nfs/dbraw/zinc/87/70/88/584877088.db2.gz STQUZKRXSMDVSH-JTQLQIEISA-N 3 2 207.321 0.924 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000904381738 584877089 /nfs/dbraw/zinc/87/70/89/584877089.db2.gz STQUZKRXSMDVSH-JTQLQIEISA-N 3 2 207.321 0.924 20 0 BCADLP C[C@@H]1C[N@H+](Cc2csnn2)CC[C@H]1C[NH3+] ZINC000904411956 584879686 /nfs/dbraw/zinc/87/96/86/584879686.db2.gz QTFROLBQQULGMI-BDAKNGLRSA-N 2 2 226.349 0.955 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2csnn2)CC[C@H]1C[NH3+] ZINC000904411956 584879687 /nfs/dbraw/zinc/87/96/87/584879687.db2.gz QTFROLBQQULGMI-BDAKNGLRSA-N 2 2 226.349 0.955 20 0 BCADLP Cc1cc(NC(=O)N[C@@H]2C[NH2+]CC2(C)C)cc[nH+]1 ZINC000904398393 584880597 /nfs/dbraw/zinc/88/05/97/584880597.db2.gz OGIIKBPCSWGNGU-LLVKDONJSA-N 2 2 248.330 0.931 20 0 BCADLP Nc1cnc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC000904420708 584882218 /nfs/dbraw/zinc/88/22/18/584882218.db2.gz UPZQGOZZTZOUMV-VHSXEESVSA-N 2 2 233.319 0.100 20 0 BCADLP Nc1cnc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC000904420708 584882219 /nfs/dbraw/zinc/88/22/19/584882219.db2.gz UPZQGOZZTZOUMV-VHSXEESVSA-N 2 2 233.319 0.100 20 0 BCADLP COC(=O)C[C@H]([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000754516261 584920661 /nfs/dbraw/zinc/92/06/61/584920661.db2.gz LFSXDXSERCOMOR-NSHDSACASA-N 2 2 237.303 0.814 20 0 BCADLP CC(=O)NCCC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000731032648 584921468 /nfs/dbraw/zinc/92/14/68/584921468.db2.gz DZKFPMVXFBRHNI-ZDUSSCGKSA-N 2 2 241.379 0.975 20 0 BCADLP CC(=O)NCCC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000731032648 584921469 /nfs/dbraw/zinc/92/14/69/584921469.db2.gz DZKFPMVXFBRHNI-ZDUSSCGKSA-N 2 2 241.379 0.975 20 0 BCADLP O=C1OCC[C@H]1[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000731847024 584929461 /nfs/dbraw/zinc/92/94/61/584929461.db2.gz BAOBXURYOHRVQK-LLVKDONJSA-N 2 2 235.287 0.836 20 0 BCADLP COC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000733164350 584943932 /nfs/dbraw/zinc/94/39/32/584943932.db2.gz PXHDZZYLDYQVOJ-UHFFFAOYSA-N 2 2 243.351 0.711 20 0 BCADLP COC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000733164350 584943933 /nfs/dbraw/zinc/94/39/33/584943933.db2.gz PXHDZZYLDYQVOJ-UHFFFAOYSA-N 2 2 243.351 0.711 20 0 BCADLP CC[NH+](CC)CC(=O)NCc1cn(C)c[nH+]1 ZINC000890114229 585024102 /nfs/dbraw/zinc/02/41/02/585024102.db2.gz YYRLBBYDTZLAJZ-UHFFFAOYSA-N 2 2 224.308 0.378 20 0 BCADLP C[NH2+]CC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000746305830 585167356 /nfs/dbraw/zinc/16/73/56/585167356.db2.gz AMZAJASLUNCMBU-UHFFFAOYSA-N 2 2 245.286 0.103 20 0 BCADLP C[C@H]([NH3+])C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000746305848 585167376 /nfs/dbraw/zinc/16/73/76/585167376.db2.gz AUHWVODLFHONNO-VIFPVBQESA-N 2 2 245.286 0.231 20 0 BCADLP CC[C@@H](C(=O)N1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000754466482 585285006 /nfs/dbraw/zinc/28/50/06/585285006.db2.gz ADSDRVOHODXCES-QWRGUYRKSA-N 2 2 227.352 0.489 20 0 BCADLP CC[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000754466482 585285007 /nfs/dbraw/zinc/28/50/07/585285007.db2.gz ADSDRVOHODXCES-QWRGUYRKSA-N 2 2 227.352 0.489 20 0 BCADLP Cc1cccc(N2CCC[N@H+](CC(N)=O)CC2)[nH+]1 ZINC000757842073 585345940 /nfs/dbraw/zinc/34/59/40/585345940.db2.gz LXUBRXFMJNRQRT-UHFFFAOYSA-N 2 2 248.330 0.387 20 0 BCADLP Cc1cccc(N2CCC[N@@H+](CC(N)=O)CC2)[nH+]1 ZINC000757842073 585345941 /nfs/dbraw/zinc/34/59/41/585345941.db2.gz LXUBRXFMJNRQRT-UHFFFAOYSA-N 2 2 248.330 0.387 20 0 BCADLP C[NH+](C)[C@H]1CCC[N@H+](CC2OCCO2)CC1 ZINC000759964758 585383478 /nfs/dbraw/zinc/38/34/78/585383478.db2.gz GGALBIZKNYOVKF-NSHDSACASA-N 2 2 228.336 0.775 20 0 BCADLP C[NH+](C)[C@H]1CCC[N@@H+](CC2OCCO2)CC1 ZINC000759964758 585383479 /nfs/dbraw/zinc/38/34/79/585383479.db2.gz GGALBIZKNYOVKF-NSHDSACASA-N 2 2 228.336 0.775 20 0 BCADLP CC[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NC ZINC000760847339 585399863 /nfs/dbraw/zinc/39/98/63/585399863.db2.gz ODZIQWXGQKRFDV-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NC ZINC000760847339 585399864 /nfs/dbraw/zinc/39/98/64/585399864.db2.gz ODZIQWXGQKRFDV-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)NC ZINC000760847339 585399865 /nfs/dbraw/zinc/39/98/65/585399865.db2.gz ODZIQWXGQKRFDV-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP CC[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)NC ZINC000760847339 585399866 /nfs/dbraw/zinc/39/98/66/585399866.db2.gz ODZIQWXGQKRFDV-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP C[C@H]1CN(CCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000761073862 585405121 /nfs/dbraw/zinc/40/51/21/585405121.db2.gz HTZVQYXLLRGQHU-ZDUSSCGKSA-N 2 2 241.379 0.345 20 0 BCADLP C[C@H]1CN(CCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000761073862 585405122 /nfs/dbraw/zinc/40/51/22/585405122.db2.gz HTZVQYXLLRGQHU-ZDUSSCGKSA-N 2 2 241.379 0.345 20 0 BCADLP Cc1[nH+]ccn1CCN1CC[N@H+](C)[C@H](C)C1 ZINC000766248372 585499306 /nfs/dbraw/zinc/49/93/06/585499306.db2.gz NVWOGMWXYZYTGJ-LLVKDONJSA-N 2 2 222.336 0.827 20 0 BCADLP Cc1[nH+]ccn1CCN1CC[N@@H+](C)[C@H](C)C1 ZINC000766248372 585499307 /nfs/dbraw/zinc/49/93/07/585499307.db2.gz NVWOGMWXYZYTGJ-LLVKDONJSA-N 2 2 222.336 0.827 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C1CC(C(F)F)C1 ZINC000769516884 585558287 /nfs/dbraw/zinc/55/82/87/585558287.db2.gz KKXLZCREFJRYGZ-VQXHTEKXSA-N 2 2 247.333 0.866 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C1CC(C(F)F)C1 ZINC000769516884 585558288 /nfs/dbraw/zinc/55/82/88/585558288.db2.gz KKXLZCREFJRYGZ-VQXHTEKXSA-N 2 2 247.333 0.866 20 0 BCADLP COCC[C@]1([NH2+]CC[NH+]2CCCC2)CCOC1 ZINC000773947679 585646908 /nfs/dbraw/zinc/64/69/08/585646908.db2.gz CXJHPGHHFZINNL-ZDUSSCGKSA-N 2 2 242.363 0.867 20 0 BCADLP CN(C)c1cc[nH+]c(NCc2[nH+]ccn2C)n1 ZINC000774528641 585661098 /nfs/dbraw/zinc/66/10/98/585661098.db2.gz IYGRJRTUMSEFOB-UHFFFAOYSA-N 2 2 232.291 0.888 20 0 BCADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cn2cnnc2)C1 ZINC000776760092 585704610 /nfs/dbraw/zinc/70/46/10/585704610.db2.gz JPLKTACTXIMJMM-GFCCVEGCSA-N 2 2 237.351 0.899 20 0 BCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cn2cnnc2)C1 ZINC000776760092 585704611 /nfs/dbraw/zinc/70/46/11/585704611.db2.gz JPLKTACTXIMJMM-GFCCVEGCSA-N 2 2 237.351 0.899 20 0 BCADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cn2cnnc2)C1 ZINC000776760092 585704612 /nfs/dbraw/zinc/70/46/12/585704612.db2.gz JPLKTACTXIMJMM-GFCCVEGCSA-N 2 2 237.351 0.899 20 0 BCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cn2cnnc2)C1 ZINC000776760092 585704613 /nfs/dbraw/zinc/70/46/13/585704613.db2.gz JPLKTACTXIMJMM-GFCCVEGCSA-N 2 2 237.351 0.899 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cn2cnnc2)C1 ZINC000776760523 585704763 /nfs/dbraw/zinc/70/47/63/585704763.db2.gz SDCKMSPJLGDRQV-NSHDSACASA-N 2 2 223.324 0.509 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cn2cnnc2)C1 ZINC000776760523 585704764 /nfs/dbraw/zinc/70/47/64/585704764.db2.gz SDCKMSPJLGDRQV-NSHDSACASA-N 2 2 223.324 0.509 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cn2cnnc2)C1 ZINC000776760523 585704765 /nfs/dbraw/zinc/70/47/65/585704765.db2.gz SDCKMSPJLGDRQV-NSHDSACASA-N 2 2 223.324 0.509 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cn2cnnc2)C1 ZINC000776760523 585704766 /nfs/dbraw/zinc/70/47/66/585704766.db2.gz SDCKMSPJLGDRQV-NSHDSACASA-N 2 2 223.324 0.509 20 0 BCADLP COCCC[N@H+](C)CC[NH2+][C@H](C)CCO ZINC000779347710 585752345 /nfs/dbraw/zinc/75/23/45/585752345.db2.gz MWICERYCWGJDTM-LLVKDONJSA-N 2 2 218.341 0.315 20 0 BCADLP COCCC[N@@H+](C)CC[NH2+][C@H](C)CCO ZINC000779347710 585752346 /nfs/dbraw/zinc/75/23/46/585752346.db2.gz MWICERYCWGJDTM-LLVKDONJSA-N 2 2 218.341 0.315 20 0 BCADLP C[C@H](CCO)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000779402462 585753617 /nfs/dbraw/zinc/75/36/17/585753617.db2.gz LFTFUQKIGTXONQ-MNOVXSKESA-N 2 2 232.393 0.784 20 0 BCADLP C[C@@H]1CN(C)C(=O)C[N@@H+]1CCn1cc[nH+]c1 ZINC000782587227 585821033 /nfs/dbraw/zinc/82/10/33/585821033.db2.gz WWHNHKWZQKHEGP-SNVBAGLBSA-N 2 2 222.292 0.046 20 0 BCADLP C[C@@H]1CN(C)C(=O)C[N@H+]1CCn1cc[nH+]c1 ZINC000782587227 585821034 /nfs/dbraw/zinc/82/10/34/585821034.db2.gz WWHNHKWZQKHEGP-SNVBAGLBSA-N 2 2 222.292 0.046 20 0 BCADLP C[C@@H]1[C@H](C(=O)NC2=[NH+]CCS2)CC[N@@H+]1C ZINC000788274680 585920609 /nfs/dbraw/zinc/92/06/09/585920609.db2.gz REDFJVJPIGVJRA-HTQZYQBOSA-N 2 2 227.333 0.546 20 0 BCADLP C[C@@H]1[C@H](C(=O)NC2=[NH+]CCS2)CC[N@H+]1C ZINC000788274680 585920610 /nfs/dbraw/zinc/92/06/10/585920610.db2.gz REDFJVJPIGVJRA-HTQZYQBOSA-N 2 2 227.333 0.546 20 0 BCADLP Cc1cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)n(C)n1 ZINC000793526783 586021594 /nfs/dbraw/zinc/02/15/94/586021594.db2.gz OCTZXFBDCQHRMW-GHMZBOCLSA-N 2 2 240.351 0.302 20 0 BCADLP C[NH+]1CCC(N(CCO)Cc2c[nH+]c[nH]2)CC1 ZINC000796449914 586103131 /nfs/dbraw/zinc/10/31/31/586103131.db2.gz MGNGJYVCMJGQIN-UHFFFAOYSA-N 2 2 238.335 0.298 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)CC[S@@](C)=O ZINC000798196922 586139973 /nfs/dbraw/zinc/13/99/73/586139973.db2.gz QYLQOGMKXGLQTR-OAHLLOKOSA-N 2 2 229.349 0.584 20 0 BCADLP FC(F)[C@@H]1C[N@H+](CCn2cc[nH+]c2)CCO1 ZINC000801564519 586263606 /nfs/dbraw/zinc/26/36/06/586263606.db2.gz PEEJUHNXGVBHPV-VIFPVBQESA-N 2 2 231.246 0.849 20 0 BCADLP FC(F)[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CCO1 ZINC000801564519 586263608 /nfs/dbraw/zinc/26/36/08/586263608.db2.gz PEEJUHNXGVBHPV-VIFPVBQESA-N 2 2 231.246 0.849 20 0 BCADLP FC(F)[C@H]1C[N@H+](CCn2cc[nH+]c2)CCO1 ZINC000801564518 586263692 /nfs/dbraw/zinc/26/36/92/586263692.db2.gz PEEJUHNXGVBHPV-SECBINFHSA-N 2 2 231.246 0.849 20 0 BCADLP FC(F)[C@H]1C[N@@H+](CCn2cc[nH+]c2)CCO1 ZINC000801564518 586263696 /nfs/dbraw/zinc/26/36/96/586263696.db2.gz PEEJUHNXGVBHPV-SECBINFHSA-N 2 2 231.246 0.849 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCc1cnn(C)n1 ZINC000815144681 586670021 /nfs/dbraw/zinc/67/00/21/586670021.db2.gz HVRFRTQXBANEKL-PWSUYJOCSA-N 2 2 237.351 0.287 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCc1cnn(C)n1 ZINC000815144681 586670023 /nfs/dbraw/zinc/67/00/23/586670023.db2.gz HVRFRTQXBANEKL-PWSUYJOCSA-N 2 2 237.351 0.287 20 0 BCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000816833732 586766636 /nfs/dbraw/zinc/76/66/36/586766636.db2.gz SBWASKBIIWAQLN-JTQLQIEISA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@H+]1CCC[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000816833732 586766638 /nfs/dbraw/zinc/76/66/38/586766638.db2.gz SBWASKBIIWAQLN-JTQLQIEISA-N 2 2 236.319 0.553 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH+]1CCCCC1 ZINC000816873313 586769121 /nfs/dbraw/zinc/76/91/21/586769121.db2.gz DAJXRHQKTPHAOI-UHFFFAOYSA-N 2 2 236.319 0.554 20 0 BCADLP COC[C@@H](CCC[NH3+])[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000817912135 586838077 /nfs/dbraw/zinc/83/80/77/586838077.db2.gz FOFUEIBBKCKXMT-QWHCGFSZSA-N 3 2 243.395 0.814 20 0 BCADLP COC[C@@H](CCC[NH3+])[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000817912135 586838078 /nfs/dbraw/zinc/83/80/78/586838078.db2.gz FOFUEIBBKCKXMT-QWHCGFSZSA-N 3 2 243.395 0.814 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H](O)c1ccco1 ZINC000817913602 586839029 /nfs/dbraw/zinc/83/90/29/586839029.db2.gz LCTTYOPNNCWUOQ-OUAUKWLOSA-N 2 2 224.304 0.901 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H](O)c1ccco1 ZINC000817913600 586839171 /nfs/dbraw/zinc/83/91/71/586839171.db2.gz LCTTYOPNNCWUOQ-GMTAPVOTSA-N 2 2 224.304 0.901 20 0 BCADLP CCn1nc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000818615451 586906800 /nfs/dbraw/zinc/90/68/00/586906800.db2.gz PJCFDHVMPBJKKF-FOSCPWQOSA-N 2 2 249.362 0.979 20 0 BCADLP C[NH+](C)[C@@]1(C[NH2+]C[C@@H](O)C2CC2)CCSC1 ZINC000819131263 586932817 /nfs/dbraw/zinc/93/28/17/586932817.db2.gz NBSQMDIITZHTAE-VXGBXAGGSA-N 2 2 244.404 0.784 20 0 BCADLP C[C@@H]1C[NH+]=C(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)S1 ZINC000822481010 587170905 /nfs/dbraw/zinc/17/09/05/587170905.db2.gz HZGZANSSPVPXJE-IWSPIJDZSA-N 2 2 241.360 0.934 20 0 BCADLP C[C@@H]1C[NH+]=C(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)S1 ZINC000822481010 587170906 /nfs/dbraw/zinc/17/09/06/587170906.db2.gz HZGZANSSPVPXJE-IWSPIJDZSA-N 2 2 241.360 0.934 20 0 BCADLP C[C@H]1[NH2+]CC[C@@H]1c1nc(Cc2c[nH+]cn2C)no1 ZINC000822891073 587191661 /nfs/dbraw/zinc/19/16/61/587191661.db2.gz FKAGSUMKHMMNHT-SCZZXKLOSA-N 2 2 247.302 0.859 20 0 BCADLP COc1cc[nH+]cc1CNC(=O)C[NH+]1CCCC1 ZINC000823130397 587204378 /nfs/dbraw/zinc/20/43/78/587204378.db2.gz MSNMYLFRLFQSAG-UHFFFAOYSA-N 2 2 249.314 0.802 20 0 BCADLP CCn1cc[nH+]c1CNC(=O)C[NH+]1CCCC1 ZINC000823307501 587215419 /nfs/dbraw/zinc/21/54/19/587215419.db2.gz HNOOGXMAYVZZLB-UHFFFAOYSA-N 2 2 236.319 0.615 20 0 BCADLP C[C@H](C(=O)NC1=[NH+]C[C@@H](C)S1)[NH+](C)C ZINC000823806738 587241325 /nfs/dbraw/zinc/24/13/25/587241325.db2.gz HRDVCZQKDCSFPA-RNFRBKRXSA-N 2 2 215.322 0.544 20 0 BCADLP CN(CC1C[NH+](C)C1)C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000825180373 587308436 /nfs/dbraw/zinc/30/84/36/587308436.db2.gz ICHUJUJGARYOPN-SNAWJCMRSA-N 2 2 248.330 0.453 20 0 BCADLP C[NH+](C)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000825566935 587325612 /nfs/dbraw/zinc/32/56/12/587325612.db2.gz CFLOBDKWXIOZLF-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000826866810 587364572 /nfs/dbraw/zinc/36/45/72/587364572.db2.gz DZWOAYVZGDLTRC-NSHDSACASA-N 2 2 248.330 0.553 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000826866810 587364573 /nfs/dbraw/zinc/36/45/73/587364573.db2.gz DZWOAYVZGDLTRC-NSHDSACASA-N 2 2 248.330 0.553 20 0 BCADLP C[N@@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC000827253162 587374163 /nfs/dbraw/zinc/37/41/63/587374163.db2.gz DOQOSUCPKVVMIK-WDEREUQCSA-N 2 2 248.330 0.505 20 0 BCADLP C[N@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC000827253162 587374164 /nfs/dbraw/zinc/37/41/64/587374164.db2.gz DOQOSUCPKVVMIK-WDEREUQCSA-N 2 2 248.330 0.505 20 0 BCADLP Cn1c[nH+]c(/C=C/C(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000827626235 587392724 /nfs/dbraw/zinc/39/27/24/587392724.db2.gz UKPYHIVNHDGFRG-FYJFLYSWSA-N 2 2 248.330 0.644 20 0 BCADLP Cn1c[nH+]c(/C=C/C(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000827626235 587392726 /nfs/dbraw/zinc/39/27/26/587392726.db2.gz UKPYHIVNHDGFRG-FYJFLYSWSA-N 2 2 248.330 0.644 20 0 BCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC[S@@](C)=O)CC[C@@H]21 ZINC000828011875 587416269 /nfs/dbraw/zinc/41/62/69/587416269.db2.gz YUGFFEWJTFYTRH-BFQNTYOBSA-N 2 2 244.404 0.781 20 0 BCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC[S@@](C)=O)CC[C@@H]21 ZINC000828011875 587416270 /nfs/dbraw/zinc/41/62/70/587416270.db2.gz YUGFFEWJTFYTRH-BFQNTYOBSA-N 2 2 244.404 0.781 20 0 BCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC[S@@](C)=O)CC[C@@H]21 ZINC000828011875 587416272 /nfs/dbraw/zinc/41/62/72/587416272.db2.gz YUGFFEWJTFYTRH-BFQNTYOBSA-N 2 2 244.404 0.781 20 0 BCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC[S@@](C)=O)CC[C@@H]21 ZINC000828011875 587416273 /nfs/dbraw/zinc/41/62/73/587416273.db2.gz YUGFFEWJTFYTRH-BFQNTYOBSA-N 2 2 244.404 0.781 20 0 BCADLP CN(CCCC[NH+](C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC000828269443 587429740 /nfs/dbraw/zinc/42/97/40/587429740.db2.gz OBFSNOQBKWGQOG-UHFFFAOYSA-N 2 2 238.335 0.752 20 0 BCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000828774219 587461467 /nfs/dbraw/zinc/46/14/67/587461467.db2.gz MOFHXJRYTWSLIR-SECBINFHSA-N 2 2 222.292 0.115 20 0 BCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000828774219 587461468 /nfs/dbraw/zinc/46/14/68/587461468.db2.gz MOFHXJRYTWSLIR-SECBINFHSA-N 2 2 222.292 0.115 20 0 BCADLP CC[N@@H+]1CC[C@H]1CNC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000829450296 587497991 /nfs/dbraw/zinc/49/79/91/587497991.db2.gz PXTNLXJTPURZHP-RXNFCKPNSA-N 2 2 248.330 0.644 20 0 BCADLP CC[N@H+]1CC[C@H]1CNC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000829450296 587497993 /nfs/dbraw/zinc/49/79/93/587497993.db2.gz PXTNLXJTPURZHP-RXNFCKPNSA-N 2 2 248.330 0.644 20 0 BCADLP C[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[N@@H+]1C1CC1 ZINC000829864002 587525811 /nfs/dbraw/zinc/52/58/11/587525811.db2.gz UZQGRJGWASYZRT-VHSXEESVSA-N 2 2 248.330 0.694 20 0 BCADLP C[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[N@H+]1C1CC1 ZINC000829864002 587525812 /nfs/dbraw/zinc/52/58/12/587525812.db2.gz UZQGRJGWASYZRT-VHSXEESVSA-N 2 2 248.330 0.694 20 0 BCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000831617805 587624022 /nfs/dbraw/zinc/62/40/22/587624022.db2.gz JYHAMFYGZRCYQO-UWVGGRQHSA-N 2 2 236.319 0.503 20 0 BCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000831617805 587624025 /nfs/dbraw/zinc/62/40/25/587624025.db2.gz JYHAMFYGZRCYQO-UWVGGRQHSA-N 2 2 236.319 0.503 20 0 BCADLP CN(CCC[NH+](C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC000831706681 587627714 /nfs/dbraw/zinc/62/77/14/587627714.db2.gz KBXCFPRDFXMXDF-UHFFFAOYSA-N 2 2 224.308 0.362 20 0 BCADLP O=C([C@H]1CC[NH2+]1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000832140372 587645948 /nfs/dbraw/zinc/64/59/48/587645948.db2.gz NOUXCXOFMBYWCI-RKDXNWHRSA-N 2 2 220.276 0.435 20 0 BCADLP C[C@@H](C[NH3+])C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000832140599 587646158 /nfs/dbraw/zinc/64/61/58/587646158.db2.gz QXOUPWBMHHWJTD-IUCAKERBSA-N 2 2 222.292 0.668 20 0 BCADLP C[C@@H](C[NH3+])NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000834618873 587761377 /nfs/dbraw/zinc/76/13/77/587761377.db2.gz ZHVZVKGHICLEIE-VIFPVBQESA-N 2 2 245.286 0.344 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)NCC[N@H+]1CC=CCC1 ZINC000834804037 587767143 /nfs/dbraw/zinc/76/71/43/587767143.db2.gz GZACMHUXVFDSJI-UHFFFAOYSA-N 2 2 234.303 0.330 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)NCC[N@@H+]1CC=CCC1 ZINC000834804037 587767144 /nfs/dbraw/zinc/76/71/44/587767144.db2.gz GZACMHUXVFDSJI-UHFFFAOYSA-N 2 2 234.303 0.330 20 0 BCADLP CCCCOC(=O)CC[N@H+](C)CC[NH3+] ZINC000842478785 588029628 /nfs/dbraw/zinc/02/96/28/588029628.db2.gz KASNLSOUVCKUAG-UHFFFAOYSA-N 2 2 202.298 0.610 20 0 BCADLP CCCCOC(=O)CC[N@@H+](C)CC[NH3+] ZINC000842478785 588029630 /nfs/dbraw/zinc/02/96/30/588029630.db2.gz KASNLSOUVCKUAG-UHFFFAOYSA-N 2 2 202.298 0.610 20 0 BCADLP COc1ncncc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000842672405 588051243 /nfs/dbraw/zinc/05/12/43/588051243.db2.gz ZDKSJXBKDIEXAM-SNVBAGLBSA-N 2 2 247.302 0.860 20 0 BCADLP C[NH2+]CCN(C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000843057166 588077910 /nfs/dbraw/zinc/07/79/10/588077910.db2.gz GAOYTNGUNRHFKD-UHFFFAOYSA-N 2 2 245.330 0.919 20 0 BCADLP O=C1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)CN1C1CC1 ZINC000843125809 588084115 /nfs/dbraw/zinc/08/41/15/588084115.db2.gz IZZZMGXLQJJOFH-VHSXEESVSA-N 2 2 223.320 0.091 20 0 BCADLP Cn1c[nH+]cc1Cc1noc(C[NH2+]C2CC2)n1 ZINC000843200862 588093056 /nfs/dbraw/zinc/09/30/56/588093056.db2.gz TXRUOTAEAQUPEQ-UHFFFAOYSA-N 2 2 233.275 0.646 20 0 BCADLP Cn1c[nH+]cc1Cc1noc(C(C)(C)C[NH3+])n1 ZINC000843198991 588093361 /nfs/dbraw/zinc/09/33/61/588093361.db2.gz ANQYHEDKFAUPFA-UHFFFAOYSA-N 2 2 235.291 0.630 20 0 BCADLP CCCOC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000843365175 588104698 /nfs/dbraw/zinc/10/46/98/588104698.db2.gz DOKIEBRZTWCRDC-DCAQKATOSA-N 2 2 228.336 0.997 20 0 BCADLP CCCOC(=O)[C@H](C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000843365175 588104700 /nfs/dbraw/zinc/10/47/00/588104700.db2.gz DOKIEBRZTWCRDC-DCAQKATOSA-N 2 2 228.336 0.997 20 0 BCADLP CCCOC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000843381706 588105626 /nfs/dbraw/zinc/10/56/26/588105626.db2.gz GOTMLAUEFSYNQD-PWSUYJOCSA-N 2 2 228.336 0.999 20 0 BCADLP CCCOC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000843381706 588105627 /nfs/dbraw/zinc/10/56/27/588105627.db2.gz GOTMLAUEFSYNQD-PWSUYJOCSA-N 2 2 228.336 0.999 20 0 BCADLP [NH3+]CC[N@H+](CCO)Cc1cccc2c1CCC2 ZINC000844902148 588218816 /nfs/dbraw/zinc/21/88/16/588218816.db2.gz NZZMKAMDLYJSOG-UHFFFAOYSA-N 2 2 234.343 0.928 20 0 BCADLP [NH3+]CC[N@@H+](CCO)Cc1cccc2c1CCC2 ZINC000844902148 588218817 /nfs/dbraw/zinc/21/88/17/588218817.db2.gz NZZMKAMDLYJSOG-UHFFFAOYSA-N 2 2 234.343 0.928 20 0 BCADLP CCON(C)C(=O)C[NH2+]C1CC[NH+](CC)CC1 ZINC000846064341 588255176 /nfs/dbraw/zinc/25/51/76/588255176.db2.gz LAMQTYOMABEIFZ-UHFFFAOYSA-N 2 2 243.351 0.470 20 0 BCADLP C[C@H](CC(=O)NOCC[NH+](C)C)n1cc[nH+]c1 ZINC000846231312 588261960 /nfs/dbraw/zinc/26/19/60/588261960.db2.gz GPZYVLHQYQLYFX-SNVBAGLBSA-N 2 2 240.307 0.444 20 0 BCADLP C[C@@H]1CN(CCCc2c[nH+]cn2C)CC[N@@H+]1C ZINC000846836024 588291807 /nfs/dbraw/zinc/29/18/07/588291807.db2.gz BDOVSKDXLZRTME-GFCCVEGCSA-N 2 2 236.363 0.989 20 0 BCADLP C[C@@H]1CN(CCCc2c[nH+]cn2C)CC[N@H+]1C ZINC000846836024 588291808 /nfs/dbraw/zinc/29/18/08/588291808.db2.gz BDOVSKDXLZRTME-GFCCVEGCSA-N 2 2 236.363 0.989 20 0 BCADLP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)CCN1C ZINC000846836024 588291809 /nfs/dbraw/zinc/29/18/09/588291809.db2.gz BDOVSKDXLZRTME-GFCCVEGCSA-N 2 2 236.363 0.989 20 0 BCADLP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCN1C ZINC000846836024 588291810 /nfs/dbraw/zinc/29/18/10/588291810.db2.gz BDOVSKDXLZRTME-GFCCVEGCSA-N 2 2 236.363 0.989 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC[S@](C)=O)C1 ZINC000846838622 588292216 /nfs/dbraw/zinc/29/22/16/588292216.db2.gz QNUIIYGBNPVEMI-QFYYESIMSA-N 2 2 241.360 0.588 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC[S@](C)=O)C1 ZINC000846838622 588292217 /nfs/dbraw/zinc/29/22/17/588292217.db2.gz QNUIIYGBNPVEMI-QFYYESIMSA-N 2 2 241.360 0.588 20 0 BCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NOCC[NH+](C)C ZINC000848160302 588362718 /nfs/dbraw/zinc/36/27/18/588362718.db2.gz SMJVHZJNVSJAJH-VIFPVBQESA-N 2 2 240.307 0.198 20 0 BCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NOCC[NH+](C)C ZINC000848160302 588362720 /nfs/dbraw/zinc/36/27/20/588362720.db2.gz SMJVHZJNVSJAJH-VIFPVBQESA-N 2 2 240.307 0.198 20 0 BCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NOCC[NH+](C)C ZINC000848160301 588362740 /nfs/dbraw/zinc/36/27/40/588362740.db2.gz SMJVHZJNVSJAJH-SECBINFHSA-N 2 2 240.307 0.198 20 0 BCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NOCC[NH+](C)C ZINC000848160301 588362742 /nfs/dbraw/zinc/36/27/42/588362742.db2.gz SMJVHZJNVSJAJH-SECBINFHSA-N 2 2 240.307 0.198 20 0 BCADLP C[NH2+]CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000848417409 588381891 /nfs/dbraw/zinc/38/18/91/588381891.db2.gz YQHJXWGCUPKOMG-JTQLQIEISA-N 2 2 236.319 0.123 20 0 BCADLP C[C@H](O)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848550380 588395599 /nfs/dbraw/zinc/39/55/99/588395599.db2.gz KYLNMEDCGHKIPR-GMXVVIOVSA-N 2 2 242.363 0.599 20 0 BCADLP CCNC(=[NH2+])NCC(C)(C)[NH+]1CCOCC1 ZINC000848981653 588423852 /nfs/dbraw/zinc/42/38/52/588423852.db2.gz MATJDKFKJNLNKI-UHFFFAOYSA-N 2 2 228.340 0.231 20 0 BCADLP COCCNC(=[NH2+])NCCCCn1cc[nH+]c1 ZINC000848995574 588428541 /nfs/dbraw/zinc/42/85/41/588428541.db2.gz SAEVRHGLJGBWNH-UHFFFAOYSA-N 2 2 239.323 0.424 20 0 BCADLP CC[C@@H](C)NC(=[NH2+])NCC[NH+]1CCSCC1 ZINC000849005609 588432576 /nfs/dbraw/zinc/43/25/76/588432576.db2.gz LEDXWQFAKKCMJU-SNVBAGLBSA-N 2 2 244.408 0.948 20 0 BCADLP CN(C)c1[nH+]cc(CNC(=[NH2+])N2CCC2)n1C ZINC000849007177 588433026 /nfs/dbraw/zinc/43/30/26/588433026.db2.gz JMRLLFSWBNWFHD-UHFFFAOYSA-N 2 2 236.323 0.216 20 0 BCADLP C[C@H]1C[NH+]=C(NCc2c[nH+]c3n2CCCC3)N1 ZINC000849026780 588441088 /nfs/dbraw/zinc/44/10/88/588441088.db2.gz HHIVEHRRTLSXNX-VIFPVBQESA-N 2 2 233.319 0.657 20 0 BCADLP CCCCNC(=[NH2+])NCCc1cn(C)c[nH+]1 ZINC000849040488 588447466 /nfs/dbraw/zinc/44/74/66/588447466.db2.gz YCKCMNYQKMAPEG-UHFFFAOYSA-N 2 2 223.324 0.877 20 0 BCADLP Cc1cccc2[nH+]c(CCNC(N)=[NH2+])cn21 ZINC000849046007 588450005 /nfs/dbraw/zinc/45/00/05/588450005.db2.gz LXQHZSHRJUZJNN-UHFFFAOYSA-N 2 2 217.276 0.668 20 0 BCADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2C[C@H](O)C2)s1 ZINC000850418056 588544882 /nfs/dbraw/zinc/54/48/82/588544882.db2.gz WTZVEUCJJVWYTK-KYZUINATSA-N 2 2 241.360 0.818 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H]1COC2(CCC2)C1 ZINC000850460631 588547895 /nfs/dbraw/zinc/54/78/95/588547895.db2.gz ANAGYEJFNMIBBT-GFCCVEGCSA-N 2 2 242.363 0.602 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H]1COC2(CCC2)C1 ZINC000850460631 588547896 /nfs/dbraw/zinc/54/78/96/588547896.db2.gz ANAGYEJFNMIBBT-GFCCVEGCSA-N 2 2 242.363 0.602 20 0 BCADLP Fc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000851731735 588619633 /nfs/dbraw/zinc/61/96/33/588619633.db2.gz AZRKTCTXSIUGQU-AOOOYVTPSA-N 2 2 221.279 0.872 20 0 BCADLP Fc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000851731735 588619634 /nfs/dbraw/zinc/61/96/34/588619634.db2.gz AZRKTCTXSIUGQU-AOOOYVTPSA-N 2 2 221.279 0.872 20 0 BCADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC[S@](C)=O)C2 ZINC000852104968 588663539 /nfs/dbraw/zinc/66/35/39/588663539.db2.gz HLJPSCIKVVBHAX-WBMJQRKESA-N 2 2 244.404 0.783 20 0 BCADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC[S@](C)=O)C2 ZINC000852104968 588663540 /nfs/dbraw/zinc/66/35/40/588663540.db2.gz HLJPSCIKVVBHAX-WBMJQRKESA-N 2 2 244.404 0.783 20 0 BCADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC[S@](C)=O)C2 ZINC000852104968 588663541 /nfs/dbraw/zinc/66/35/41/588663541.db2.gz HLJPSCIKVVBHAX-WBMJQRKESA-N 2 2 244.404 0.783 20 0 BCADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC[S@](C)=O)C2 ZINC000852104968 588663542 /nfs/dbraw/zinc/66/35/42/588663542.db2.gz HLJPSCIKVVBHAX-WBMJQRKESA-N 2 2 244.404 0.783 20 0 BCADLP CC[N@H+](CCc1ccccn1)C[C@H]1C[NH2+]CCO1 ZINC000852746938 588699111 /nfs/dbraw/zinc/69/91/11/588699111.db2.gz VFJUERYPPDEJIY-CQSZACIVSA-N 2 2 249.358 0.934 20 0 BCADLP CC[N@@H+](CCc1ccccn1)C[C@H]1C[NH2+]CCO1 ZINC000852746938 588699112 /nfs/dbraw/zinc/69/91/12/588699112.db2.gz VFJUERYPPDEJIY-CQSZACIVSA-N 2 2 249.358 0.934 20 0 BCADLP c1ccc([C@@H]2CC[N@H+](C[C@H]3C[NH2+]CCO3)C2)nc1 ZINC000852750222 588699832 /nfs/dbraw/zinc/69/98/32/588699832.db2.gz ONISAQTVKNWIBH-CHWSQXEVSA-N 2 2 247.342 0.859 20 0 BCADLP C[C@H](NC(=O)[C@]1(F)CC[NH2+]C1)c1[nH+]ccn1C ZINC000852916797 588712993 /nfs/dbraw/zinc/71/29/93/588712993.db2.gz BNJCYQKAQFMXLA-KWQFWETISA-N 2 2 240.282 0.299 20 0 BCADLP C[C@@H]([NH3+])CN(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000861559078 589167931 /nfs/dbraw/zinc/16/79/31/589167931.db2.gz MZOAGZJYHGRWCT-NXEZZACHSA-N 2 2 239.323 0.260 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)C[C@H](C)[NH3+] ZINC000861559081 589168202 /nfs/dbraw/zinc/16/82/02/589168202.db2.gz MZOAGZJYHGRWCT-VHSXEESVSA-N 2 2 239.323 0.260 20 0 BCADLP C[NH+](C)C1(C(=O)N2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000861761063 589176740 /nfs/dbraw/zinc/17/67/40/589176740.db2.gz VXSXEGADERUXFW-UHFFFAOYSA-N 2 2 248.330 0.779 20 0 BCADLP C[NH+](C)C1(C(=O)N2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000861761063 589176741 /nfs/dbraw/zinc/17/67/41/589176741.db2.gz VXSXEGADERUXFW-UHFFFAOYSA-N 2 2 248.330 0.779 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+]C2CC(C(F)F)C2)C1 ZINC000862532168 589218291 /nfs/dbraw/zinc/21/82/91/589218291.db2.gz RRQNAJALLGDVFB-UDNWOFFPSA-N 2 2 234.290 0.686 20 0 BCADLP O[C@@H]1CC[N@@H+](CC[NH2+]C2CC(C(F)F)C2)C1 ZINC000862532168 589218293 /nfs/dbraw/zinc/21/82/93/589218293.db2.gz RRQNAJALLGDVFB-UDNWOFFPSA-N 2 2 234.290 0.686 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)C[N@H+](C)C1CCC1 ZINC000863917774 589325706 /nfs/dbraw/zinc/32/57/06/589325706.db2.gz UUXRUBAYECXYNM-UHFFFAOYSA-N 2 2 236.319 0.521 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)C[N@@H+](C)C1CCC1 ZINC000863917774 589325707 /nfs/dbraw/zinc/32/57/07/589325707.db2.gz UUXRUBAYECXYNM-UHFFFAOYSA-N 2 2 236.319 0.521 20 0 BCADLP CC(C)(C)N1CC[C@@H]([NH2+]Cc2c[nH+]c[nH]2)C1=O ZINC000864049829 589334687 /nfs/dbraw/zinc/33/46/87/589334687.db2.gz MBDWKGZXWMZVIM-SNVBAGLBSA-N 2 2 236.319 0.899 20 0 BCADLP O=C(Cc1c[nH+]c[nH]1)N1CC([NH+]2CCCC2)C1 ZINC000864068473 589338182 /nfs/dbraw/zinc/33/81/82/589338182.db2.gz SCPLGCLFOUDNPR-UHFFFAOYSA-N 2 2 234.303 0.259 20 0 BCADLP C[C@H]1C[C@H]1NC(=[NH2+])NCCCn1cc[nH+]c1 ZINC000864453375 589365480 /nfs/dbraw/zinc/36/54/80/589365480.db2.gz ZAPVWHCCDHHFBT-VHSXEESVSA-N 2 2 221.308 0.796 20 0 BCADLP C[C@H](O)[C@@H](O)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000865738405 589459837 /nfs/dbraw/zinc/45/98/37/589459837.db2.gz FHLCLTOSSWNPDR-ONGXEEELSA-N 2 2 235.287 0.166 20 0 BCADLP C[C@@H](O)[C@H](O)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000865738404 589459882 /nfs/dbraw/zinc/45/98/82/589459882.db2.gz FHLCLTOSSWNPDR-MWLCHTKSSA-N 2 2 235.287 0.166 20 0 BCADLP COCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866413633 589491189 /nfs/dbraw/zinc/49/11/89/589491189.db2.gz JWYIBVLOYAHPEB-NEPJUHHUSA-N 2 2 244.379 0.846 20 0 BCADLP COCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866413633 589491190 /nfs/dbraw/zinc/49/11/90/589491190.db2.gz JWYIBVLOYAHPEB-NEPJUHHUSA-N 2 2 244.379 0.846 20 0 BCADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccn2)C1 ZINC000866659602 589507801 /nfs/dbraw/zinc/50/78/01/589507801.db2.gz PANBAHABQHDWHH-NSHDSACASA-N 2 2 248.330 0.691 20 0 BCADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccn2)C1 ZINC000866659602 589507803 /nfs/dbraw/zinc/50/78/03/589507803.db2.gz PANBAHABQHDWHH-NSHDSACASA-N 2 2 248.330 0.691 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000866704404 589513428 /nfs/dbraw/zinc/51/34/28/589513428.db2.gz UJIAKHCBNXKUJY-UTUOFQBUSA-N 2 2 242.388 0.660 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000866704404 589513429 /nfs/dbraw/zinc/51/34/29/589513429.db2.gz UJIAKHCBNXKUJY-UTUOFQBUSA-N 2 2 242.388 0.660 20 0 BCADLP COC(=O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866709437 589514561 /nfs/dbraw/zinc/51/45/61/589514561.db2.gz XRAHLHMMVTXXJR-LBPRGKRZSA-N 2 2 228.336 0.856 20 0 BCADLP COC(=O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866709437 589514562 /nfs/dbraw/zinc/51/45/62/589514562.db2.gz XRAHLHMMVTXXJR-LBPRGKRZSA-N 2 2 228.336 0.856 20 0 BCADLP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000866708611 589514579 /nfs/dbraw/zinc/51/45/79/589514579.db2.gz SDPRICBHIXHJPV-GWCFXTLKSA-N 2 2 240.347 0.999 20 0 BCADLP CC(C)(C)[C@]1(C[NH3+])CC[N@H+]([C@H]2CCOC2=O)C1 ZINC000866708611 589514581 /nfs/dbraw/zinc/51/45/81/589514581.db2.gz SDPRICBHIXHJPV-GWCFXTLKSA-N 2 2 240.347 0.999 20 0 BCADLP Cn1ccc(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)cc1=O ZINC000866725977 589516251 /nfs/dbraw/zinc/51/62/51/589516251.db2.gz UGIBKQJQTIBLOX-QWHCGFSZSA-N 2 2 247.342 0.712 20 0 BCADLP Cn1ccc(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)cc1=O ZINC000866725977 589516253 /nfs/dbraw/zinc/51/62/53/589516253.db2.gz UGIBKQJQTIBLOX-QWHCGFSZSA-N 2 2 247.342 0.712 20 0 BCADLP C[NH2+][C@@H](C)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000867999153 589542927 /nfs/dbraw/zinc/54/29/27/589542927.db2.gz SXZMZKXOWJOHKX-GWCFXTLKSA-N 2 2 247.342 0.897 20 0 BCADLP C[NH2+][C@@H](C)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000867999153 589542929 /nfs/dbraw/zinc/54/29/29/589542929.db2.gz SXZMZKXOWJOHKX-GWCFXTLKSA-N 2 2 247.342 0.897 20 0 BCADLP [NH3+][C@H]1CC[C@@H](C(=O)NCCn2cc[nH+]c2)CC1 ZINC000870915513 589696923 /nfs/dbraw/zinc/69/69/23/589696923.db2.gz LNMXOFNRDBLSRI-PHIMTYICSA-N 2 2 236.319 0.517 20 0 BCADLP O=C(CCC12CC(C1)C[NH2+]2)NCCc1[nH]cc[nH+]1 ZINC000870923915 589697374 /nfs/dbraw/zinc/69/73/74/589697374.db2.gz HURVURZXMCAFGH-UHFFFAOYSA-N 2 2 248.330 0.601 20 0 BCADLP CC[C@@H]([NH3+])C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000871021921 589713948 /nfs/dbraw/zinc/71/39/48/589713948.db2.gz ZWEDVWAONSLLLO-LLVKDONJSA-N 2 2 248.330 0.597 20 0 BCADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C2CC2)C1 ZINC000872219129 589896003 /nfs/dbraw/zinc/89/60/03/589896003.db2.gz VOEZHEHXYQCMKE-RYUDHWBXSA-N 2 2 242.363 0.192 20 0 BCADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@H](O)C2CC2)C1 ZINC000872219129 589896005 /nfs/dbraw/zinc/89/60/05/589896005.db2.gz VOEZHEHXYQCMKE-RYUDHWBXSA-N 2 2 242.363 0.192 20 0 BCADLP C[C@@H]1C[N@H+](Cc2cnc(N)cn2)CC[C@@H]1[NH3+] ZINC000873201948 589992889 /nfs/dbraw/zinc/99/28/89/589992889.db2.gz QQKYPSWFPOUXHR-SCZZXKLOSA-N 2 2 221.308 0.228 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2cnc(N)cn2)CC[C@@H]1[NH3+] ZINC000873201948 589992890 /nfs/dbraw/zinc/99/28/90/589992890.db2.gz QQKYPSWFPOUXHR-SCZZXKLOSA-N 2 2 221.308 0.228 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cnc(N)cn2)C1 ZINC000873210243 589995164 /nfs/dbraw/zinc/99/51/64/589995164.db2.gz ZVLPKXXHYFZTKK-NSHDSACASA-N 2 2 221.308 0.230 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cnc(N)cn2)C1 ZINC000873210243 589995167 /nfs/dbraw/zinc/99/51/67/589995167.db2.gz ZVLPKXXHYFZTKK-NSHDSACASA-N 2 2 221.308 0.230 20 0 BCADLP CCC([NH3+])(CC)C[NH2+]Cc1cnc(N)cn1 ZINC000873211268 589996110 /nfs/dbraw/zinc/99/61/10/589996110.db2.gz XKKRTCHWCORBKU-UHFFFAOYSA-N 2 2 223.324 0.666 20 0 BCADLP CC(C)[C@@H](C[NH3+])C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000873211250 589996162 /nfs/dbraw/zinc/99/61/62/589996162.db2.gz WQHZMFGOQIGOLU-WOPDTQHZSA-N 3 2 211.353 0.511 20 0 BCADLP CC(C)[C@@H](C[NH3+])C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000873211250 589996164 /nfs/dbraw/zinc/99/61/64/589996164.db2.gz WQHZMFGOQIGOLU-WOPDTQHZSA-N 3 2 211.353 0.511 20 0 BCADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnc(N)cn1 ZINC000873213318 589997234 /nfs/dbraw/zinc/99/72/34/589997234.db2.gz VGMLKUMWYJOZDP-SCZZXKLOSA-N 2 2 221.308 0.146 20 0 BCADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccnn1C ZINC000873223292 589999867 /nfs/dbraw/zinc/99/98/67/589999867.db2.gz MRXRAIIRJSXSLT-VHSXEESVSA-N 2 2 208.309 0.823 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cnc(N)cn3)CC[C@@H]21 ZINC000873221609 590000195 /nfs/dbraw/zinc/00/01/95/590000195.db2.gz LQIFCXUPFLMOKK-PWSUYJOCSA-N 2 2 247.346 0.585 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cnc(N)cn3)CC[C@@H]21 ZINC000873221609 590000197 /nfs/dbraw/zinc/00/01/97/590000197.db2.gz LQIFCXUPFLMOKK-PWSUYJOCSA-N 2 2 247.346 0.585 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cnc(N)cn3)CC[C@@H]21 ZINC000873221609 590000200 /nfs/dbraw/zinc/00/02/00/590000200.db2.gz LQIFCXUPFLMOKK-PWSUYJOCSA-N 2 2 247.346 0.585 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cnc(N)cn3)CC[C@@H]21 ZINC000873221609 590000203 /nfs/dbraw/zinc/00/02/03/590000203.db2.gz LQIFCXUPFLMOKK-PWSUYJOCSA-N 2 2 247.346 0.585 20 0 BCADLP Cn1cc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cn1 ZINC000873229433 590001779 /nfs/dbraw/zinc/00/17/79/590001779.db2.gz YRGKMKYLSVRWTR-NWDGAFQWSA-N 2 2 220.320 0.794 20 0 BCADLP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000873248665 590007146 /nfs/dbraw/zinc/00/71/46/590007146.db2.gz DDFYVJLFUDYKAL-MGAJPHDKSA-N 3 2 239.363 0.080 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000873253970 590009701 /nfs/dbraw/zinc/00/97/01/590009701.db2.gz IHOWCSVJMMMFAC-NNYUYHANSA-N 3 2 223.364 0.939 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000873253970 590009703 /nfs/dbraw/zinc/00/97/03/590009703.db2.gz IHOWCSVJMMMFAC-NNYUYHANSA-N 3 2 223.364 0.939 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000873253972 590009762 /nfs/dbraw/zinc/00/97/62/590009762.db2.gz IHOWCSVJMMMFAC-WYUUTHIRSA-N 3 2 223.364 0.939 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000873253972 590009765 /nfs/dbraw/zinc/00/97/65/590009765.db2.gz IHOWCSVJMMMFAC-WYUUTHIRSA-N 3 2 223.364 0.939 20 0 BCADLP Cc1nonc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000873295571 590024119 /nfs/dbraw/zinc/02/41/19/590024119.db2.gz KKSQJKDCRYXYAM-IUCAKERBSA-N 2 2 210.281 0.738 20 0 BCADLP [NH3+]CCCCCC(=O)NCCCn1cc[nH+]c1 ZINC000020506379 590117245 /nfs/dbraw/zinc/11/72/45/590117245.db2.gz DPTWHTXWVATRQT-UHFFFAOYSA-N 2 2 238.335 0.909 20 0 BCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC000874831273 590144321 /nfs/dbraw/zinc/14/43/21/590144321.db2.gz YYWSYVCXUOHKFB-GHMZBOCLSA-N 2 2 248.330 0.647 20 0 BCADLP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC000874831273 590144323 /nfs/dbraw/zinc/14/43/23/590144323.db2.gz YYWSYVCXUOHKFB-GHMZBOCLSA-N 2 2 248.330 0.647 20 0 BCADLP O=C(/C=C/[C@H]1CCC[NH2+]C1)NCCc1[nH]cc[nH+]1 ZINC000876764892 590239763 /nfs/dbraw/zinc/23/97/63/590239763.db2.gz RAAJQTTWRDCJNN-PGLGOXFNSA-N 2 2 248.330 0.624 20 0 BCADLP C[NH+](C)C[C@H](N)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000876766114 590239931 /nfs/dbraw/zinc/23/99/31/590239931.db2.gz BTUHVEIZYIURHL-JTQLQIEISA-N 2 2 247.302 0.162 20 0 BCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000876779020 590240502 /nfs/dbraw/zinc/24/05/02/590240502.db2.gz URCZTHNQAAOEIC-ANDSXOESSA-N 2 2 248.330 0.746 20 0 BCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000876957135 590260936 /nfs/dbraw/zinc/26/09/36/590260936.db2.gz UZQWISQWSCOLQX-ISBNUJHVSA-N 2 2 248.330 0.780 20 0 BCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000876957135 590260938 /nfs/dbraw/zinc/26/09/38/590260938.db2.gz UZQWISQWSCOLQX-ISBNUJHVSA-N 2 2 248.330 0.780 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876957374 590261005 /nfs/dbraw/zinc/26/10/05/590261005.db2.gz ZADSVGHFSXDGAO-YUMQZZPRSA-N 2 2 244.245 0.208 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876957374 590261007 /nfs/dbraw/zinc/26/10/07/590261007.db2.gz ZADSVGHFSXDGAO-YUMQZZPRSA-N 2 2 244.245 0.208 20 0 BCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000877020182 590269975 /nfs/dbraw/zinc/26/99/75/590269975.db2.gz YWHJPTYAEPHFOQ-UTUOFQBUSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000877020182 590269976 /nfs/dbraw/zinc/26/99/76/590269976.db2.gz YWHJPTYAEPHFOQ-UTUOFQBUSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000877154580 590293297 /nfs/dbraw/zinc/29/32/97/590293297.db2.gz UCIAWCRZOUIKCW-RYUDHWBXSA-N 2 2 239.363 0.729 20 0 BCADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000877154580 590293298 /nfs/dbraw/zinc/29/32/98/590293298.db2.gz UCIAWCRZOUIKCW-RYUDHWBXSA-N 2 2 239.363 0.729 20 0 BCADLP CO[C@@]1(C[NH2+]CC[N@@H+]2CCC[C@H]2C)CCOC1 ZINC000877154804 590293485 /nfs/dbraw/zinc/29/34/85/590293485.db2.gz ZPEAJENYEXDDBZ-CHWSQXEVSA-N 2 2 242.363 0.866 20 0 BCADLP CO[C@@]1(C[NH2+]CC[N@H+]2CCC[C@H]2C)CCOC1 ZINC000877154804 590293487 /nfs/dbraw/zinc/29/34/87/590293487.db2.gz ZPEAJENYEXDDBZ-CHWSQXEVSA-N 2 2 242.363 0.866 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000877233296 590301556 /nfs/dbraw/zinc/30/15/56/590301556.db2.gz QVCMJNJCKQQHFE-RKDXNWHRSA-N 2 2 236.319 0.742 20 0 BCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C[NH3+] ZINC000877247711 590303889 /nfs/dbraw/zinc/30/38/89/590303889.db2.gz VQDJSBDTOUNJOT-LLVKDONJSA-N 2 2 219.288 0.248 20 0 BCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C[NH3+] ZINC000877247711 590303891 /nfs/dbraw/zinc/30/38/91/590303891.db2.gz VQDJSBDTOUNJOT-LLVKDONJSA-N 2 2 219.288 0.248 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877274308 590305663 /nfs/dbraw/zinc/30/56/63/590305663.db2.gz VAGRFMISDFGPQM-PWSUYJOCSA-N 2 2 248.330 0.614 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877386460 590320621 /nfs/dbraw/zinc/32/06/21/590320621.db2.gz RMTAIWNLHPLJML-AAEUAGOBSA-N 2 2 248.330 0.661 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877386460 590320626 /nfs/dbraw/zinc/32/06/26/590320626.db2.gz RMTAIWNLHPLJML-AAEUAGOBSA-N 2 2 248.330 0.661 20 0 BCADLP Cc1[nH]c(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)c[nH+]1 ZINC000877391708 590322528 /nfs/dbraw/zinc/32/25/28/590322528.db2.gz XILVGKJMKOLMCK-PWSUYJOCSA-N 2 2 234.303 0.733 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC2(C1)OCCO2 ZINC000878237440 590527486 /nfs/dbraw/zinc/52/74/86/590527486.db2.gz YRFOKBOQXRCMLH-UHFFFAOYSA-N 2 2 237.303 0.411 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCC2(C1)OCCO2 ZINC000878237440 590527487 /nfs/dbraw/zinc/52/74/87/590527487.db2.gz YRFOKBOQXRCMLH-UHFFFAOYSA-N 2 2 237.303 0.411 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879567744 590805572 /nfs/dbraw/zinc/80/55/72/590805572.db2.gz VCMZAZUYONTSQC-GHMZBOCLSA-N 2 2 225.336 0.149 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879567744 590805575 /nfs/dbraw/zinc/80/55/75/590805575.db2.gz VCMZAZUYONTSQC-GHMZBOCLSA-N 2 2 225.336 0.149 20 0 BCADLP CCNC(=O)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879567744 590805579 /nfs/dbraw/zinc/80/55/79/590805579.db2.gz VCMZAZUYONTSQC-GHMZBOCLSA-N 2 2 225.336 0.149 20 0 BCADLP CCNC(=O)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879567744 590805581 /nfs/dbraw/zinc/80/55/81/590805581.db2.gz VCMZAZUYONTSQC-GHMZBOCLSA-N 2 2 225.336 0.149 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879567199 590806726 /nfs/dbraw/zinc/80/67/26/590806726.db2.gz NPFXNQIGZVDCDA-IJLUTSLNSA-N 2 2 239.363 0.489 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879567199 590806732 /nfs/dbraw/zinc/80/67/32/590806732.db2.gz NPFXNQIGZVDCDA-IJLUTSLNSA-N 2 2 239.363 0.489 20 0 BCADLP C[C@H](C(=O)N(C)C)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879567199 590806737 /nfs/dbraw/zinc/80/67/37/590806737.db2.gz NPFXNQIGZVDCDA-IJLUTSLNSA-N 2 2 239.363 0.489 20 0 BCADLP C[C@H](C(=O)N(C)C)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879567199 590806741 /nfs/dbraw/zinc/80/67/41/590806741.db2.gz NPFXNQIGZVDCDA-IJLUTSLNSA-N 2 2 239.363 0.489 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879567428 590807011 /nfs/dbraw/zinc/80/70/11/590807011.db2.gz QHTYPPVSNQKORI-VXGBXAGGSA-N 2 2 239.363 0.537 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879567428 590807014 /nfs/dbraw/zinc/80/70/14/590807014.db2.gz QHTYPPVSNQKORI-VXGBXAGGSA-N 2 2 239.363 0.537 20 0 BCADLP CC(C)NC(=O)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879567428 590807018 /nfs/dbraw/zinc/80/70/18/590807018.db2.gz QHTYPPVSNQKORI-VXGBXAGGSA-N 2 2 239.363 0.537 20 0 BCADLP CC(C)NC(=O)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879567428 590807020 /nfs/dbraw/zinc/80/70/20/590807020.db2.gz QHTYPPVSNQKORI-VXGBXAGGSA-N 2 2 239.363 0.537 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)NC3CC3)CC[C@@H]21 ZINC000879567170 590807090 /nfs/dbraw/zinc/80/70/90/590807090.db2.gz NJMGIAUXSHIXGA-PWSUYJOCSA-N 2 2 237.347 0.291 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)NC3CC3)CC[C@@H]21 ZINC000879567170 590807092 /nfs/dbraw/zinc/80/70/92/590807092.db2.gz NJMGIAUXSHIXGA-PWSUYJOCSA-N 2 2 237.347 0.291 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)NC3CC3)CC[C@@H]21 ZINC000879567170 590807096 /nfs/dbraw/zinc/80/70/96/590807096.db2.gz NJMGIAUXSHIXGA-PWSUYJOCSA-N 2 2 237.347 0.291 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]21 ZINC000879567170 590807098 /nfs/dbraw/zinc/80/70/98/590807098.db2.gz NJMGIAUXSHIXGA-PWSUYJOCSA-N 2 2 237.347 0.291 20 0 BCADLP C[N@@H+]1CC[C@H]2C[NH+](CCn3cc[nH+]c3)CC[C@@H]21 ZINC000879577333 590812171 /nfs/dbraw/zinc/81/21/71/590812171.db2.gz IOFOTHPKLBPGKM-STQMWFEESA-N 3 2 234.347 0.909 20 0 BCADLP C[N@H+]1CC[C@H]2C[NH+](CCn3cc[nH+]c3)CC[C@@H]21 ZINC000879577333 590812172 /nfs/dbraw/zinc/81/21/72/590812172.db2.gz IOFOTHPKLBPGKM-STQMWFEESA-N 3 2 234.347 0.909 20 0 BCADLP C[NH+]1CC[C@H]2C[N@H+](CCn3cc[nH+]c3)CC[C@@H]21 ZINC000879577333 590812175 /nfs/dbraw/zinc/81/21/75/590812175.db2.gz IOFOTHPKLBPGKM-STQMWFEESA-N 3 2 234.347 0.909 20 0 BCADLP C[NH+]1CC[C@H]2C[N@@H+](CCn3cc[nH+]c3)CC[C@@H]21 ZINC000879577333 590812179 /nfs/dbraw/zinc/81/21/79/590812179.db2.gz IOFOTHPKLBPGKM-STQMWFEESA-N 3 2 234.347 0.909 20 0 BCADLP C[N@@H+]1CC[C@H]2CN(Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC000879582061 590819701 /nfs/dbraw/zinc/81/97/01/590819701.db2.gz PNJNRPOMQOLCKA-CMPLNLGQSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@H+]1CC[C@H]2CN(Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC000879582061 590819702 /nfs/dbraw/zinc/81/97/02/590819702.db2.gz PNJNRPOMQOLCKA-CMPLNLGQSA-N 2 2 220.320 0.936 20 0 BCADLP C[NH+]1CCN(C2CC[NH+](CCF)CC2)CC1 ZINC000879592994 590823384 /nfs/dbraw/zinc/82/33/84/590823384.db2.gz BBWNUEJFOGDLCJ-UHFFFAOYSA-N 2 2 229.343 0.668 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)CC(C)(C)C1 ZINC000879624641 590837930 /nfs/dbraw/zinc/83/79/30/590837930.db2.gz YKWGPBDKXMSBSZ-NEPJUHHUSA-N 2 2 244.379 0.392 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)CC(C)(C)C1 ZINC000879624641 590837935 /nfs/dbraw/zinc/83/79/35/590837935.db2.gz YKWGPBDKXMSBSZ-NEPJUHHUSA-N 2 2 244.379 0.392 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879624641 590837940 /nfs/dbraw/zinc/83/79/40/590837940.db2.gz YKWGPBDKXMSBSZ-NEPJUHHUSA-N 2 2 244.379 0.392 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879624641 590837942 /nfs/dbraw/zinc/83/79/42/590837942.db2.gz YKWGPBDKXMSBSZ-NEPJUHHUSA-N 2 2 244.379 0.392 20 0 BCADLP CN(C)C(=O)CC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880132933 590934629 /nfs/dbraw/zinc/93/46/29/590934629.db2.gz RDMGQQYBVDBKOD-VXGBXAGGSA-N 2 2 239.363 0.633 20 0 BCADLP CN(C)C(=O)CC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880132933 590934631 /nfs/dbraw/zinc/93/46/31/590934631.db2.gz RDMGQQYBVDBKOD-VXGBXAGGSA-N 2 2 239.363 0.633 20 0 BCADLP CN(C)C(=O)CC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880132933 590934634 /nfs/dbraw/zinc/93/46/34/590934634.db2.gz RDMGQQYBVDBKOD-VXGBXAGGSA-N 2 2 239.363 0.633 20 0 BCADLP CN(C)C(=O)CC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880132933 590934636 /nfs/dbraw/zinc/93/46/36/590934636.db2.gz RDMGQQYBVDBKOD-VXGBXAGGSA-N 2 2 239.363 0.633 20 0 BCADLP Cn1cc(CC[N@@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)nn1 ZINC000880140883 590942557 /nfs/dbraw/zinc/94/25/57/590942557.db2.gz DYAOZZLKKBJWLI-QWHCGFSZSA-N 2 2 249.362 0.526 20 0 BCADLP Cn1cc(CC[N@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)nn1 ZINC000880140883 590942558 /nfs/dbraw/zinc/94/25/58/590942558.db2.gz DYAOZZLKKBJWLI-QWHCGFSZSA-N 2 2 249.362 0.526 20 0 BCADLP Cn1cc(CC[NH+]2CC[C@H]3[C@H]2CCC[N@@H+]3C)nn1 ZINC000880140883 590942559 /nfs/dbraw/zinc/94/25/59/590942559.db2.gz DYAOZZLKKBJWLI-QWHCGFSZSA-N 2 2 249.362 0.526 20 0 BCADLP Cn1cc(CC[NH+]2CC[C@H]3[C@H]2CCC[N@H+]3C)nn1 ZINC000880140883 590942560 /nfs/dbraw/zinc/94/25/60/590942560.db2.gz DYAOZZLKKBJWLI-QWHCGFSZSA-N 2 2 249.362 0.526 20 0 BCADLP CNC(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259254 590978781 /nfs/dbraw/zinc/97/87/81/590978781.db2.gz OMZCYDORUYFWSR-LLVKDONJSA-N 2 2 248.330 0.338 20 0 BCADLP CNC(=O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259254 590978784 /nfs/dbraw/zinc/97/87/84/590978784.db2.gz OMZCYDORUYFWSR-LLVKDONJSA-N 2 2 248.330 0.338 20 0 BCADLP Cc1[nH+]cnc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c1C ZINC000881834006 591273727 /nfs/dbraw/zinc/27/37/27/591273727.db2.gz NEPDEDVVBYDYSA-QWRGUYRKSA-N 2 2 218.304 0.749 20 0 BCADLP Cc1[nH+]cnc(NC[C@](C)(O)C[NH+](C)C)c1C ZINC000882128903 591302656 /nfs/dbraw/zinc/30/26/56/591302656.db2.gz ZWRQEBMKSWWCGS-LBPRGKRZSA-N 2 2 238.335 0.818 20 0 BCADLP Cc1[nH+]cnc(NC[C@@](C)(O)C[NH+](C)C)c1C ZINC000882128902 591303027 /nfs/dbraw/zinc/30/30/27/591303027.db2.gz ZWRQEBMKSWWCGS-GFCCVEGCSA-N 2 2 238.335 0.818 20 0 BCADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cn[nH]c1 ZINC000883160165 591556433 /nfs/dbraw/zinc/55/64/33/591556433.db2.gz HWMOKJPEJHKGMF-LBPRGKRZSA-N 2 2 240.351 0.592 20 0 BCADLP COC[C@@H]([NH2+]CC[NH+](C)C)[C@H]1CCCOC1 ZINC000883222602 591577763 /nfs/dbraw/zinc/57/77/63/591577763.db2.gz WOVLGZPVGKAULH-NWDGAFQWSA-N 2 2 230.352 0.579 20 0 BCADLP COC[C@H]1C[C@@H]([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000883316106 591613718 /nfs/dbraw/zinc/61/37/18/591613718.db2.gz KSKNATPXMFMXLC-YFKTTZPYSA-N 2 2 212.337 0.951 20 0 BCADLP COC[C@H]1C[C@@H]([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000883316106 591613720 /nfs/dbraw/zinc/61/37/20/591613720.db2.gz KSKNATPXMFMXLC-YFKTTZPYSA-N 2 2 212.337 0.951 20 0 BCADLP CN(CCCn1cc[nH+]c1)C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883434648 591664502 /nfs/dbraw/zinc/66/45/02/591664502.db2.gz XSQZSDGQKRLSQK-RYUDHWBXSA-N 2 2 240.326 0.905 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)C[C@H]1CCC2(CCOCC2)O1 ZINC000883438477 591666874 /nfs/dbraw/zinc/66/68/74/591666874.db2.gz UFRYDYWWYNLQEO-NWDGAFQWSA-N 2 2 242.363 0.994 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@H]1CCC2(CCOCC2)O1 ZINC000883438477 591666876 /nfs/dbraw/zinc/66/68/76/591666876.db2.gz UFRYDYWWYNLQEO-NWDGAFQWSA-N 2 2 242.363 0.994 20 0 BCADLP CC[N@H+](CC[NH3+])C[C@H]1CCC2(CCOCC2)O1 ZINC000883437401 591667120 /nfs/dbraw/zinc/66/71/20/591667120.db2.gz QYOFSXDOSCJHGA-GFCCVEGCSA-N 2 2 242.363 0.995 20 0 BCADLP CC[N@@H+](CC[NH3+])C[C@H]1CCC2(CCOCC2)O1 ZINC000883437401 591667122 /nfs/dbraw/zinc/66/71/22/591667122.db2.gz QYOFSXDOSCJHGA-GFCCVEGCSA-N 2 2 242.363 0.995 20 0 BCADLP CCn1ncc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)n1 ZINC000883441713 591669397 /nfs/dbraw/zinc/66/93/97/591669397.db2.gz WAFQEQZJICFHOB-ZJUUUORDSA-N 2 2 223.324 0.513 20 0 BCADLP C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC000883449401 591671334 /nfs/dbraw/zinc/67/13/34/591671334.db2.gz OTBSTLRPDBPWGZ-CYBMUJFWSA-N 2 2 249.358 0.959 20 0 BCADLP C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC000883449401 591671337 /nfs/dbraw/zinc/67/13/37/591671337.db2.gz OTBSTLRPDBPWGZ-CYBMUJFWSA-N 2 2 249.358 0.959 20 0 BCADLP C[NH2+]CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000884012836 591798955 /nfs/dbraw/zinc/79/89/55/591798955.db2.gz WFWOEGNBUDXSKJ-UHFFFAOYSA-N 2 2 238.335 0.652 20 0 BCADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)CC[NH3+])c[nH+]1 ZINC000884243427 591881284 /nfs/dbraw/zinc/88/12/84/591881284.db2.gz GNCKCLGLBPAPCZ-SECBINFHSA-N 2 2 238.335 0.780 20 0 BCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccoc2)CC1 ZINC000134287230 591911440 /nfs/dbraw/zinc/91/14/40/591911440.db2.gz SAUZBQADXWNYQL-UHFFFAOYSA-N 2 2 237.303 0.143 20 0 BCADLP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000884365322 591917656 /nfs/dbraw/zinc/91/76/56/591917656.db2.gz HQSVIGGILRBWTL-HZQMYPQZSA-N 2 2 248.330 0.755 20 0 BCADLP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000884365322 591917657 /nfs/dbraw/zinc/91/76/57/591917657.db2.gz HQSVIGGILRBWTL-HZQMYPQZSA-N 2 2 248.330 0.755 20 0 BCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]CC[NH+](C)C)C1 ZINC000886608787 592274707 /nfs/dbraw/zinc/27/47/07/592274707.db2.gz FZODUILTAQHZBR-NXEZZACHSA-N 2 2 214.309 0.479 20 0 BCADLP CCC1([NH+]2CCC2)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000886707752 592307834 /nfs/dbraw/zinc/30/78/34/592307834.db2.gz QIUFZASEGLGDHE-NSHDSACASA-N 2 2 239.363 0.811 20 0 BCADLP CC[N@H+](CCOC(F)F)[C@@H]1CC[NH2+]C1 ZINC000886846530 592362754 /nfs/dbraw/zinc/36/27/54/592362754.db2.gz CZWXZSWETFWLKJ-MRVPVSSYSA-N 2 2 208.252 0.909 20 0 BCADLP CC[N@@H+](CCOC(F)F)[C@@H]1CC[NH2+]C1 ZINC000886846530 592362759 /nfs/dbraw/zinc/36/27/59/592362759.db2.gz CZWXZSWETFWLKJ-MRVPVSSYSA-N 2 2 208.252 0.909 20 0 BCADLP CNC(=O)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887131395 592449284 /nfs/dbraw/zinc/44/92/84/592449284.db2.gz WNMUCDJCQONYAV-NSHDSACASA-N 2 2 248.330 0.338 20 0 BCADLP CNC(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887131395 592449282 /nfs/dbraw/zinc/44/92/82/592449282.db2.gz WNMUCDJCQONYAV-NSHDSACASA-N 2 2 248.330 0.338 20 0 BCADLP Cn1c[nH+]cc1CNC(=[NH2+])NCC1CC1 ZINC000887359185 592490088 /nfs/dbraw/zinc/49/00/88/592490088.db2.gz JGADJIGSALQRHI-UHFFFAOYSA-N 2 2 207.281 0.444 20 0 BCADLP CC[S@](=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223449753 592532620 /nfs/dbraw/zinc/53/26/20/592532620.db2.gz UKXVJSDXPFSRNC-RWSFTLGLSA-N 2 2 232.393 0.827 20 0 BCADLP CC[S@](=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223449753 592532623 /nfs/dbraw/zinc/53/26/23/592532623.db2.gz UKXVJSDXPFSRNC-RWSFTLGLSA-N 2 2 232.393 0.827 20 0 BCADLP Cn1c[nH+]c(CNC(=O)CCCn2cc[nH+]c2)c1 ZINC000890114199 592684149 /nfs/dbraw/zinc/68/41/49/592684149.db2.gz YFMNWTVWALEVQC-UHFFFAOYSA-N 2 2 247.302 0.713 20 0 BCADLP OC/C=C/C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925710380 634409924 /nfs/dbraw/zinc/40/99/24/634409924.db2.gz XFFMZLVMPHWMQZ-UFFNRZRYSA-N 2 2 210.321 0.799 20 0 BCADLP Cc1cc(NCCc2cn(C)c[nH+]2)nc(N)[nH+]1 ZINC000313239464 634456663 /nfs/dbraw/zinc/45/66/63/634456663.db2.gz OGPJIBPXVDGTRV-UHFFFAOYSA-N 2 2 232.291 0.755 20 0 BCADLP Cc1nc(NC[C@H](O)C[NH+](C)C)cc[nH+]1 ZINC000309046228 631822629 /nfs/dbraw/zinc/82/26/29/631822629.db2.gz OTKLWDMBAWNIAR-VIFPVBQESA-N 2 2 210.281 0.119 20 0 BCADLP [NH2+]=C(NCCCCn1cc[nH+]c1)NC1CC1 ZINC000052044160 632051755 /nfs/dbraw/zinc/05/17/55/632051755.db2.gz GQCRZLXTGYDBNU-UHFFFAOYSA-N 2 2 221.308 0.940 20 0 BCADLP CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001023161307 632403170 /nfs/dbraw/zinc/40/31/70/632403170.db2.gz VKEICHNGXLBAKT-AOOOYVTPSA-N 2 2 222.292 0.140 20 0 BCADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)cn2)C1 ZINC000309770551 632668413 /nfs/dbraw/zinc/66/84/13/632668413.db2.gz ONSFRSFHBJOCCZ-NSHDSACASA-N 2 2 222.336 0.852 20 0 BCADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C)cn2)C1 ZINC000309770551 632668414 /nfs/dbraw/zinc/66/84/14/632668414.db2.gz ONSFRSFHBJOCCZ-NSHDSACASA-N 2 2 222.336 0.852 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000310221815 632708485 /nfs/dbraw/zinc/70/84/85/632708485.db2.gz HFNXUDSOXGULKL-ONGXEEELSA-N 2 2 236.319 0.515 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000310212209 632708586 /nfs/dbraw/zinc/70/85/86/632708586.db2.gz DNHLYOAQFFIBCG-SDDRHHMPSA-N 2 2 239.363 0.442 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000310212209 632708592 /nfs/dbraw/zinc/70/85/92/632708592.db2.gz DNHLYOAQFFIBCG-SDDRHHMPSA-N 2 2 239.363 0.442 20 0 BCADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000310355346 632725545 /nfs/dbraw/zinc/72/55/45/632725545.db2.gz QPJKTSWFJIUQJT-UTUOFQBUSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000310355346 632725549 /nfs/dbraw/zinc/72/55/49/632725549.db2.gz QPJKTSWFJIUQJT-UTUOFQBUSA-N 2 2 239.363 0.727 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCOC[C@H](C)C1 ZINC000310537859 632754719 /nfs/dbraw/zinc/75/47/19/632754719.db2.gz PSJPIXUZUQLTGT-OLZOCXBDSA-N 2 2 244.379 0.656 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCOC[C@H](C)C1 ZINC000310537859 632754725 /nfs/dbraw/zinc/75/47/25/632754725.db2.gz PSJPIXUZUQLTGT-OLZOCXBDSA-N 2 2 244.379 0.656 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCOC[C@H](C)C1 ZINC000310537859 632754729 /nfs/dbraw/zinc/75/47/29/632754729.db2.gz PSJPIXUZUQLTGT-OLZOCXBDSA-N 2 2 244.379 0.656 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCOC[C@H](C)C1 ZINC000310537859 632754731 /nfs/dbraw/zinc/75/47/31/632754731.db2.gz PSJPIXUZUQLTGT-OLZOCXBDSA-N 2 2 244.379 0.656 20 0 BCADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000309239374 632832516 /nfs/dbraw/zinc/83/25/16/632832516.db2.gz MFEPUEVGRSDKRM-MXWKQRLJSA-N 2 2 227.352 0.583 20 0 BCADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@H](C)[NH+](C)C ZINC000309239378 632833174 /nfs/dbraw/zinc/83/31/74/632833174.db2.gz MFEPUEVGRSDKRM-VWYCJHECSA-N 2 2 227.352 0.583 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928445672 635949320 /nfs/dbraw/zinc/94/93/20/635949320.db2.gz ZTFUNWMHMPQYJS-ZJUUUORDSA-N 2 2 236.319 0.469 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000928445672 635949327 /nfs/dbraw/zinc/94/93/27/635949327.db2.gz ZTFUNWMHMPQYJS-ZJUUUORDSA-N 2 2 236.319 0.469 20 0 BCADLP C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000928557021 636096280 /nfs/dbraw/zinc/09/62/80/636096280.db2.gz YFYLCJXOGNPPIB-WDEREUQCSA-N 2 2 239.363 0.680 20 0 BCADLP C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000928557021 636096284 /nfs/dbraw/zinc/09/62/84/636096284.db2.gz YFYLCJXOGNPPIB-WDEREUQCSA-N 2 2 239.363 0.680 20 0 BCADLP C[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000928557021 636096287 /nfs/dbraw/zinc/09/62/87/636096287.db2.gz YFYLCJXOGNPPIB-WDEREUQCSA-N 2 2 239.363 0.680 20 0 BCADLP C[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000928557021 636096289 /nfs/dbraw/zinc/09/62/89/636096289.db2.gz YFYLCJXOGNPPIB-WDEREUQCSA-N 2 2 239.363 0.680 20 0 BCADLP CSCCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925503297 633828489 /nfs/dbraw/zinc/82/84/89/633828489.db2.gz KCBBXFDLANVYAZ-SECBINFHSA-N 2 2 204.339 0.318 20 0 BCADLP C(C[NH2+][C@@H]1C[NH2+]CCOC1)COCC1CC1 ZINC000925516019 633860437 /nfs/dbraw/zinc/86/04/37/633860437.db2.gz BSJYERXCMOANAU-GFCCVEGCSA-N 2 2 228.336 0.381 20 0 BCADLP CCC(CC)(CCO)C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925527282 633912409 /nfs/dbraw/zinc/91/24/09/633912409.db2.gz NDHLVNFGKQILCT-LBPRGKRZSA-N 2 2 244.379 0.753 20 0 BCADLP CCn1cnnc1CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925573905 634071194 /nfs/dbraw/zinc/07/11/94/634071194.db2.gz QPDATVIVIUVMPN-JTQLQIEISA-N 2 2 237.351 0.571 20 0 BCADLP CCn1cnnc1CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925573908 634071206 /nfs/dbraw/zinc/07/12/06/634071206.db2.gz QPDATVIVIUVMPN-SNVBAGLBSA-N 2 2 237.351 0.571 20 0 BCADLP CC(C)N1C[C@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)CC1=O ZINC000925580755 634084190 /nfs/dbraw/zinc/08/41/90/634084190.db2.gz MHYBNRHOGALZQL-TUAOUCFPSA-N 2 2 239.363 0.726 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925607170 634136956 /nfs/dbraw/zinc/13/69/56/634136956.db2.gz AGJFSFKJSVRZBM-GRYCIOLGSA-N 3 2 243.395 0.405 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925607172 634137187 /nfs/dbraw/zinc/13/71/87/634137187.db2.gz AGJFSFKJSVRZBM-QJPTWQEYSA-N 3 2 243.395 0.405 20 0 BCADLP OC[C@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925616292 634161864 /nfs/dbraw/zinc/16/18/64/634161864.db2.gz QLNWTRSGYYOZGH-IJLUTSLNSA-N 2 2 228.336 0.116 20 0 BCADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CCOC2)CCO1 ZINC000925617937 634172672 /nfs/dbraw/zinc/17/26/72/634172672.db2.gz YAVKHLXQUNUQKC-AGIUHOORSA-N 2 2 242.363 0.768 20 0 BCADLP CC[NH2+]CCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925689178 634306667 /nfs/dbraw/zinc/30/66/67/634306667.db2.gz HEFFIKNHZDMVES-MNOVXSKESA-N 3 2 211.353 0.846 20 0 BCADLP CC[NH2+]CCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925689179 634307297 /nfs/dbraw/zinc/30/72/97/634307297.db2.gz HEFFIKNHZDMVES-QWRGUYRKSA-N 3 2 211.353 0.846 20 0 BCADLP [NH3+][C@H]1C[C@@H]([NH2+]C2CC[NH2+]CC2)C12CCC2 ZINC000925691862 634319981 /nfs/dbraw/zinc/31/99/81/634319981.db2.gz NFQQNBVVKWYRPA-WDEREUQCSA-N 3 2 209.337 0.598 20 0 BCADLP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]C2)C12CCC2 ZINC000925700075 634367874 /nfs/dbraw/zinc/36/78/74/634367874.db2.gz RILVFUJRXQKINY-GMTAPVOTSA-N 3 2 209.337 0.455 20 0 BCADLP C[C@@H](Cc1cnccn1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925783250 635290404 /nfs/dbraw/zinc/29/04/04/635290404.db2.gz JKXPWXMVSGVWRY-JFGNBEQYSA-N 2 2 220.320 0.605 20 0 BCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925786003 635302236 /nfs/dbraw/zinc/30/22/36/635302236.db2.gz MWINXCOFMZOOAK-VOAKCMCISA-N 3 2 241.379 0.199 20 0 BCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)CC[C@@H]1[NH3+] ZINC000086886871 636890564 /nfs/dbraw/zinc/89/05/64/636890564.db2.gz FEPUTFXNVSBLID-KOLCDFICSA-N 2 2 225.336 0.182 20 0 BCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)CC[C@@H]1[NH3+] ZINC000086886871 636890571 /nfs/dbraw/zinc/89/05/71/636890571.db2.gz FEPUTFXNVSBLID-KOLCDFICSA-N 2 2 225.336 0.182 20 0 BCADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000866708613 636931797 /nfs/dbraw/zinc/93/17/97/636931797.db2.gz SDPRICBHIXHJPV-GXFFZTMASA-N 2 2 240.347 0.999 20 0 BCADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+]([C@H]2CCOC2=O)C1 ZINC000866708613 636931801 /nfs/dbraw/zinc/93/18/01/636931801.db2.gz SDPRICBHIXHJPV-GXFFZTMASA-N 2 2 240.347 0.999 20 0 BCADLP CON1CCC([NH2+]C[C@H](C2CC2)[NH+](C)C)CC1 ZINC000924717060 637029077 /nfs/dbraw/zinc/02/90/77/637029077.db2.gz KTXYYMXLEOTZOJ-CYBMUJFWSA-N 2 2 241.379 0.942 20 0 BCADLP CC[NH+]1CCC([NH2+][C@H]2CCN(C)C2)CC1 ZINC000042543899 637280822 /nfs/dbraw/zinc/28/08/22/637280822.db2.gz SCLIBCJPGXYPDB-LBPRGKRZSA-N 2 2 211.353 0.764 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCCON)C[N@@H+]1C1CC1 ZINC000902418908 637302543 /nfs/dbraw/zinc/30/25/43/637302543.db2.gz OSRVJIFZTXNREU-NXEZZACHSA-N 2 2 213.325 0.482 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCCON)C[N@H+]1C1CC1 ZINC000902418908 637302550 /nfs/dbraw/zinc/30/25/50/637302550.db2.gz OSRVJIFZTXNREU-NXEZZACHSA-N 2 2 213.325 0.482 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000903461621 637363198 /nfs/dbraw/zinc/36/31/98/637363198.db2.gz WHFKYBWBHPLPQF-NOOOWODRSA-N 3 2 211.353 0.654 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000903461621 637363205 /nfs/dbraw/zinc/36/32/05/637363205.db2.gz WHFKYBWBHPLPQF-NOOOWODRSA-N 3 2 211.353 0.654 20 0 BCADLP O[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C[C@@H]1F ZINC000903841367 637384970 /nfs/dbraw/zinc/38/49/70/637384970.db2.gz XAHJBYFRGDSVOY-KXUCPTDWSA-N 2 2 202.273 0.001 20 0 BCADLP O[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@@H]1F ZINC000903841367 637384976 /nfs/dbraw/zinc/38/49/76/637384976.db2.gz XAHJBYFRGDSVOY-KXUCPTDWSA-N 2 2 202.273 0.001 20 0 BCADLP Cn1c[nH+]cc1CN1CCC[C@]12CC[NH2+]C2 ZINC000903867652 637386514 /nfs/dbraw/zinc/38/65/14/637386514.db2.gz RTRPGSNJHJYOMS-GFCCVEGCSA-N 2 2 220.320 0.748 20 0 BCADLP CC(C)([NH3+])C[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC000904428181 637397513 /nfs/dbraw/zinc/39/75/13/637397513.db2.gz GDUZRTOABWIRBY-UHFFFAOYSA-N 2 2 241.335 0.688 20 0 BCADLP Cc1cc(C)n2c(C[NH2+]CC3([NH3+])CC3)cnc2n1 ZINC000904449058 637413632 /nfs/dbraw/zinc/41/36/32/637413632.db2.gz FKMXFLANIHNQTQ-UHFFFAOYSA-N 2 2 245.330 0.927 20 0 BCADLP [NH3+]CC1CC([NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000904458106 637421279 /nfs/dbraw/zinc/42/12/79/637421279.db2.gz BHYPISLTRBEPJK-NZPNUOCISA-N 3 2 231.343 0.938 20 0 BCADLP CC(C)C[C@H]([NH3+])C[NH2+][C@@]1(C)CCNC1=O ZINC000904469281 637424284 /nfs/dbraw/zinc/42/42/84/637424284.db2.gz LANRRQQEUOKYGI-ONGXEEELSA-N 2 2 213.325 0.228 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905044587 637562107 /nfs/dbraw/zinc/56/21/07/637562107.db2.gz FGCMPYPXAHQYDT-MNOVXSKESA-N 2 2 239.319 0.137 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@](C)(O)C(F)F ZINC000905047986 637565825 /nfs/dbraw/zinc/56/58/25/637565825.db2.gz WDTGHLNPDTUADJ-WPRPVWTQSA-N 2 2 233.262 0.877 20 0 BCADLP C[C@](O)(C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C(F)F ZINC000905264746 637717161 /nfs/dbraw/zinc/71/71/61/637717161.db2.gz WDSQYLAPTPGRQY-CPCISQLKSA-N 2 2 245.273 0.873 20 0 BCADLP [NH3+]C1(c2noc([C@@H]3CCCC[NH2+]3)n2)CC1 ZINC000905314469 637741494 /nfs/dbraw/zinc/74/14/94/637741494.db2.gz JWDUIHGOWNMAIX-ZETCQYMHSA-N 2 2 208.265 0.832 20 0 BCADLP C[C@H](O)C[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000905517540 637841636 /nfs/dbraw/zinc/84/16/36/637841636.db2.gz DMQNACHFAOPXKP-VIFPVBQESA-N 2 2 209.293 0.618 20 0 BCADLP CC[NH2+]Cc1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905815042 637942167 /nfs/dbraw/zinc/94/21/67/637942167.db2.gz FWKBZBSNIUPJGT-UHFFFAOYSA-N 2 2 232.291 0.413 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000906095813 638053220 /nfs/dbraw/zinc/05/32/20/638053220.db2.gz ZLPYKNNXBSETET-HTQZYQBOSA-N 2 2 237.307 0.749 20 0 BCADLP COc1c(N)nc[nH+]c1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000906095813 638053224 /nfs/dbraw/zinc/05/32/24/638053224.db2.gz ZLPYKNNXBSETET-HTQZYQBOSA-N 2 2 237.307 0.749 20 0 BCADLP C[N@@H+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000907974600 638532435 /nfs/dbraw/zinc/53/24/35/638532435.db2.gz CJEJQZWMSHVKPO-UHFFFAOYSA-N 2 2 236.319 0.505 20 0 BCADLP C[N@H+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000907974600 638532442 /nfs/dbraw/zinc/53/24/42/638532442.db2.gz CJEJQZWMSHVKPO-UHFFFAOYSA-N 2 2 236.319 0.505 20 0 BCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000908348395 638660337 /nfs/dbraw/zinc/66/03/37/638660337.db2.gz OAUVYGXMPXCYNA-ONGXEEELSA-N 2 2 234.303 0.115 20 0 BCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000908348395 638660341 /nfs/dbraw/zinc/66/03/41/638660341.db2.gz OAUVYGXMPXCYNA-ONGXEEELSA-N 2 2 234.303 0.115 20 0 BCADLP [NH3+][C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000911620700 639682838 /nfs/dbraw/zinc/68/28/38/639682838.db2.gz RYMUUDWGRSTUOG-MNOVXSKESA-N 2 2 248.330 0.395 20 0 BCADLP C[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000911654770 639710651 /nfs/dbraw/zinc/71/06/51/639710651.db2.gz BHVOMCXWRMXEHW-JTQLQIEISA-N 2 2 244.298 0.997 20 0 BCADLP C[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000911677961 639720534 /nfs/dbraw/zinc/72/05/34/639720534.db2.gz PSLZDDZYDBBMJO-JTQLQIEISA-N 2 2 236.319 0.171 20 0 BCADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC000911718149 639742001 /nfs/dbraw/zinc/74/20/01/639742001.db2.gz IGHVVEKLYZALPE-VHSXEESVSA-N 2 2 236.319 0.457 20 0 BCADLP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000911719250 639742790 /nfs/dbraw/zinc/74/27/90/639742790.db2.gz DSTCWMHCRMZCGZ-HBNTYKKESA-N 2 2 248.330 0.344 20 0 BCADLP C[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000911735890 639761509 /nfs/dbraw/zinc/76/15/09/639761509.db2.gz FGCSFVGUDGPCCU-SECBINFHSA-N 2 2 222.292 0.163 20 0 BCADLP C[NH2+][C@@H]1CCCN(C(=O)C[C@H]([NH3+])C(F)F)C1 ZINC000911737654 639765541 /nfs/dbraw/zinc/76/55/41/639765541.db2.gz XYESXJPPFIREPK-SFYZADRCSA-N 2 2 235.278 0.179 20 0 BCADLP CC[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000911751388 639776560 /nfs/dbraw/zinc/77/65/60/639776560.db2.gz ZZUUHFILVKDOCM-JTQLQIEISA-N 2 2 236.319 0.171 20 0 BCADLP CC[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911751389 639777783 /nfs/dbraw/zinc/77/77/83/639777783.db2.gz ZZUUHFILVKDOCM-SNVBAGLBSA-N 2 2 236.319 0.171 20 0 BCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911752026 639778950 /nfs/dbraw/zinc/77/89/50/639778950.db2.gz SFRXFIBVBSNDQU-GMTAPVOTSA-N 2 2 248.330 0.392 20 0 BCADLP O=C(NC[C@H]1CCC[NH2+]1)[C@H]1CCc2c[nH+]cn2C1 ZINC000911752726 639781561 /nfs/dbraw/zinc/78/15/61/639781561.db2.gz XZPGVRZZYFUGNS-WDEREUQCSA-N 2 2 248.330 0.314 20 0 BCADLP CCCN(C(=O)C[C@@H]([NH3+])C(F)F)[C@@H]1CC[NH2+]C1 ZINC000911768409 639793680 /nfs/dbraw/zinc/79/36/80/639793680.db2.gz QECBWWCYRYICKU-RKDXNWHRSA-N 2 2 249.305 0.569 20 0 BCADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[NH2+]C1 ZINC000911781866 639798334 /nfs/dbraw/zinc/79/83/34/639798334.db2.gz CKIPUXXHMRBWMF-WDEREUQCSA-N 2 2 248.330 0.266 20 0 BCADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CC[NH2+]C1 ZINC000911781865 639798858 /nfs/dbraw/zinc/79/88/58/639798858.db2.gz CKIPUXXHMRBWMF-QWRGUYRKSA-N 2 2 248.330 0.266 20 0 BCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H](C)C[NH3+] ZINC000911810547 639832540 /nfs/dbraw/zinc/83/25/40/639832540.db2.gz NDUZXGCSHCNJDR-RKDXNWHRSA-N 2 2 224.308 0.394 20 0 BCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H](C)C[NH3+] ZINC000911810547 639832543 /nfs/dbraw/zinc/83/25/43/639832543.db2.gz NDUZXGCSHCNJDR-RKDXNWHRSA-N 2 2 224.308 0.394 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000911819319 639836111 /nfs/dbraw/zinc/83/61/11/639836111.db2.gz CQCJDKSLNSDRSG-UWVGGRQHSA-N 2 2 236.319 0.538 20 0 BCADLP CC(C)C[C@@H](C[NH3+])NC(=O)C[C@@H]([NH3+])C(F)F ZINC000911817512 639850146 /nfs/dbraw/zinc/85/01/46/639850146.db2.gz DTWQPDGWUWDHPA-JGVFFNPUSA-N 2 2 237.294 0.459 20 0 BCADLP CN(C(=O)C[C@H]([NH3+])C(F)F)C1CCC([NH3+])CC1 ZINC000911865021 639852342 /nfs/dbraw/zinc/85/23/42/639852342.db2.gz PSKBCPQTWDWYBD-HACHORDNSA-N 2 2 249.305 0.697 20 0 BCADLP [NH3+]C[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000911847091 639855960 /nfs/dbraw/zinc/85/59/60/639855960.db2.gz UZFPVKGJDSKCJO-WDEREUQCSA-N 2 2 248.330 0.395 20 0 BCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)[NH3+] ZINC000911847746 639855997 /nfs/dbraw/zinc/85/59/97/639855997.db2.gz NRTFQVDKGXONGG-MRVPVSSYSA-N 2 2 224.308 0.442 20 0 BCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)[NH3+] ZINC000911847746 639855999 /nfs/dbraw/zinc/85/59/99/639855999.db2.gz NRTFQVDKGXONGG-MRVPVSSYSA-N 2 2 224.308 0.442 20 0 BCADLP CCCC[C@H](C[NH3+])NC(=O)C[C@H]([NH3+])C(F)F ZINC000911880256 639866631 /nfs/dbraw/zinc/86/66/31/639866631.db2.gz LEHHRBCCMZEYOZ-SFYZADRCSA-N 2 2 237.294 0.603 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H]3CCC(=O)O3)C[C@H]21 ZINC000931277062 640124631 /nfs/dbraw/zinc/12/46/31/640124631.db2.gz HGQZHOYTHDICTE-SVDPJWKOSA-N 2 2 224.304 0.184 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCC(=O)O3)C[C@H]21 ZINC000931277062 640124636 /nfs/dbraw/zinc/12/46/36/640124636.db2.gz HGQZHOYTHDICTE-SVDPJWKOSA-N 2 2 224.304 0.184 20 0 BCADLP Cc1nnc(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)o1 ZINC000931276823 640124677 /nfs/dbraw/zinc/12/46/77/640124677.db2.gz IJKZMPJMCPUERU-IAZYJMLFSA-N 2 2 236.319 0.412 20 0 BCADLP Cc1nnc(CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)o1 ZINC000931276823 640124678 /nfs/dbraw/zinc/12/46/78/640124678.db2.gz IJKZMPJMCPUERU-IAZYJMLFSA-N 2 2 236.319 0.412 20 0 BCADLP COCC(COC)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278275 640127659 /nfs/dbraw/zinc/12/76/59/640127659.db2.gz VCPQZOMIWBBLKV-GDNZZTSVSA-N 2 2 228.336 0.140 20 0 BCADLP COCC(COC)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278275 640127663 /nfs/dbraw/zinc/12/76/63/640127663.db2.gz VCPQZOMIWBBLKV-GDNZZTSVSA-N 2 2 228.336 0.140 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCO[C@H]3CCOC3)C[C@H]21 ZINC000931278510 640128001 /nfs/dbraw/zinc/12/80/01/640128001.db2.gz ZCTRWRRNIOZQHF-WUHRBBMRSA-N 2 2 240.347 0.284 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCO[C@H]3CCOC3)C[C@H]21 ZINC000931278510 640128010 /nfs/dbraw/zinc/12/80/10/640128010.db2.gz ZCTRWRRNIOZQHF-WUHRBBMRSA-N 2 2 240.347 0.284 20 0 BCADLP COC(=O)C1(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CC1 ZINC000931277935 640128774 /nfs/dbraw/zinc/12/87/74/640128774.db2.gz RLNZTYQTCPLNKM-URLYPYJESA-N 2 2 238.331 0.431 20 0 BCADLP COC(=O)C1(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CC1 ZINC000931277935 640128784 /nfs/dbraw/zinc/12/87/84/640128784.db2.gz RLNZTYQTCPLNKM-URLYPYJESA-N 2 2 238.331 0.431 20 0 BCADLP CSCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278858 640129445 /nfs/dbraw/zinc/12/94/45/640129445.db2.gz PFPSNPRWTBBGDQ-MYJAWHEDSA-N 2 2 200.351 0.841 20 0 BCADLP CSCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278858 640129456 /nfs/dbraw/zinc/12/94/56/640129456.db2.gz PFPSNPRWTBBGDQ-MYJAWHEDSA-N 2 2 200.351 0.841 20 0 BCADLP CSC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278399 640130676 /nfs/dbraw/zinc/13/06/76/640130676.db2.gz BMAFHEDEYFPJMZ-ZNSHCXBVSA-N 2 2 230.377 0.202 20 0 BCADLP CSC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278399 640130683 /nfs/dbraw/zinc/13/06/83/640130683.db2.gz BMAFHEDEYFPJMZ-ZNSHCXBVSA-N 2 2 230.377 0.202 20 0 BCADLP Cn1c[nH+]cc1CCN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931281062 640132444 /nfs/dbraw/zinc/13/24/44/640132444.db2.gz MYEGGRBTNWBUHR-ITGUQSILSA-N 2 2 234.347 0.454 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCCO3)C[C@H]21 ZINC000931283179 640137818 /nfs/dbraw/zinc/13/78/18/640137818.db2.gz SHYQYVGJPYHGAE-NNYUYHANSA-N 2 2 210.321 0.657 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCCO3)C[C@H]21 ZINC000931283179 640137819 /nfs/dbraw/zinc/13/78/19/640137819.db2.gz SHYQYVGJPYHGAE-NNYUYHANSA-N 2 2 210.321 0.657 20 0 BCADLP CC[NH2+]CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000044290982 640176139 /nfs/dbraw/zinc/17/61/39/640176139.db2.gz QJACEEZTOXGZNJ-UHFFFAOYSA-N 2 2 248.330 0.340 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc[nH]n3)C[C@@H]2C1 ZINC000931436331 640201588 /nfs/dbraw/zinc/20/15/88/640201588.db2.gz HGWWHIYVZFHJTH-MNOVXSKESA-N 2 2 220.320 0.793 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc[nH]n3)C[C@@H]2C1 ZINC000931436331 640201591 /nfs/dbraw/zinc/20/15/91/640201591.db2.gz HGWWHIYVZFHJTH-MNOVXSKESA-N 2 2 220.320 0.793 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc[nH]n3)C[C@@H]2C1 ZINC000931436331 640201594 /nfs/dbraw/zinc/20/15/94/640201594.db2.gz HGWWHIYVZFHJTH-MNOVXSKESA-N 2 2 220.320 0.793 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc[nH]n3)C[C@@H]2C1 ZINC000931436331 640201597 /nfs/dbraw/zinc/20/15/97/640201597.db2.gz HGWWHIYVZFHJTH-MNOVXSKESA-N 2 2 220.320 0.793 20 0 BCADLP CC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)CO)CC1 ZINC000931466683 640226118 /nfs/dbraw/zinc/22/61/18/640226118.db2.gz XKYGLDSKZQCERP-GFCCVEGCSA-N 2 2 242.363 0.290 20 0 BCADLP CNC(=O)CC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931509307 640239060 /nfs/dbraw/zinc/23/90/60/640239060.db2.gz NZRMLYOQQNTUQT-UHFFFAOYSA-N 2 2 234.303 0.158 20 0 BCADLP CNC(=O)CC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931509307 640239066 /nfs/dbraw/zinc/23/90/66/640239066.db2.gz NZRMLYOQQNTUQT-UHFFFAOYSA-N 2 2 234.303 0.158 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912915684 640240256 /nfs/dbraw/zinc/24/02/56/640240256.db2.gz IVEPKKGHAKIFRM-GFCCVEGCSA-N 2 2 248.330 0.580 20 0 BCADLP Cc1[nH]c(C[NH2+][C@H]2C(=O)NCC2(C)C)c(C)[nH+]1 ZINC000931654150 640303139 /nfs/dbraw/zinc/30/31/39/640303139.db2.gz YXXIXWZOZFERQH-JTQLQIEISA-N 2 2 236.319 0.641 20 0 BCADLP C[NH+](C)C1CC[NH+](CC[C@H]2CCOC2=O)CC1 ZINC000151312644 640361769 /nfs/dbraw/zinc/36/17/69/640361769.db2.gz STJJVZZRCFSYDR-NSHDSACASA-N 2 2 240.347 0.966 20 0 BCADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnc[nH]2)C1 ZINC000054764986 640403555 /nfs/dbraw/zinc/40/35/55/640403555.db2.gz HZXCYGVTDVDLOA-SNVBAGLBSA-N 2 2 208.309 0.841 20 0 BCADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc[nH]2)C1 ZINC000054764986 640403550 /nfs/dbraw/zinc/40/35/50/640403550.db2.gz HZXCYGVTDVDLOA-SNVBAGLBSA-N 2 2 208.309 0.841 20 0 BCADLP CCC[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030155438 640639274 /nfs/dbraw/zinc/63/92/74/640639274.db2.gz OTWAAFOXQRURNP-LLVKDONJSA-N 2 2 225.336 0.291 20 0 BCADLP CCC[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030155438 640639277 /nfs/dbraw/zinc/63/92/77/640639277.db2.gz OTWAAFOXQRURNP-LLVKDONJSA-N 2 2 225.336 0.291 20 0 BCADLP COC(=O)N[C@H]1CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000228332419 640870723 /nfs/dbraw/zinc/87/07/23/640870723.db2.gz WHKGSWPIZPWMQE-NSHDSACASA-N 2 2 241.335 0.559 20 0 BCADLP COC(=O)N[C@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000228332419 640870724 /nfs/dbraw/zinc/87/07/24/640870724.db2.gz WHKGSWPIZPWMQE-NSHDSACASA-N 2 2 241.335 0.559 20 0 BCADLP CNC(=O)[C@@H]1CCC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000232298212 641263120 /nfs/dbraw/zinc/26/31/20/641263120.db2.gz BAQYJILVNXBBRP-LLVKDONJSA-N 2 2 241.379 0.833 20 0 BCADLP CNC(=O)[C@@H]1CCC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000232298212 641263128 /nfs/dbraw/zinc/26/31/28/641263128.db2.gz BAQYJILVNXBBRP-LLVKDONJSA-N 2 2 241.379 0.833 20 0 BCADLP CC[NH+]1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001030892900 641407770 /nfs/dbraw/zinc/40/77/70/641407770.db2.gz KIZBGHRDMVRSTP-UHFFFAOYSA-N 2 2 225.336 0.149 20 0 BCADLP O=C(CCn1cc[nH+]c1)NC12CC[NH+](CC1)C2 ZINC000913629043 641431411 /nfs/dbraw/zinc/43/14/11/641431411.db2.gz VPYNIVHERDATPX-UHFFFAOYSA-N 2 2 234.303 0.238 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)NC12CC[NH+](CC1)C2 ZINC000913630034 641434479 /nfs/dbraw/zinc/43/44/79/641434479.db2.gz WLWRFPVBOQIYQE-JTQLQIEISA-N 2 2 223.320 0.045 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)NC12CC[NH+](CC1)C2 ZINC000913630034 641434483 /nfs/dbraw/zinc/43/44/83/641434483.db2.gz WLWRFPVBOQIYQE-JTQLQIEISA-N 2 2 223.320 0.045 20 0 BCADLP C[C@@H](CC(=O)NC12CC[NH+](CC1)C2)n1cc[nH+]c1 ZINC000913635459 641437292 /nfs/dbraw/zinc/43/72/92/641437292.db2.gz FZHWCRSFQBGBPF-NSHDSACASA-N 2 2 248.330 0.799 20 0 BCADLP C[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC000913760939 641468335 /nfs/dbraw/zinc/46/83/35/641468335.db2.gz UJWGLDYEHQOEMF-CMPLNLGQSA-N 2 2 248.330 0.505 20 0 BCADLP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC000913813848 641486045 /nfs/dbraw/zinc/48/60/45/641486045.db2.gz HUZLQOLFZUTHOG-RYUDHWBXSA-N 2 2 248.330 0.647 20 0 BCADLP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC000913813848 641486047 /nfs/dbraw/zinc/48/60/47/641486047.db2.gz HUZLQOLFZUTHOG-RYUDHWBXSA-N 2 2 248.330 0.647 20 0 BCADLP C[C@@H](C[NH2+][C@H]1COCC1(C)C)[NH+](C)C ZINC000313057673 641529473 /nfs/dbraw/zinc/52/94/73/641529473.db2.gz UVTBRWCHMPAATF-UWVGGRQHSA-N 2 2 200.326 0.951 20 0 BCADLP C[N@@H+]1CC[C@@H](C(=O)NC2C[NH+](CCCF)C2)C1 ZINC001031386147 642045969 /nfs/dbraw/zinc/04/59/69/642045969.db2.gz YHGWPMYZGVQLMF-SNVBAGLBSA-N 2 2 243.326 0.098 20 0 BCADLP C[N@H+]1CC[C@@H](C(=O)NC2C[NH+](CCCF)C2)C1 ZINC001031386147 642045978 /nfs/dbraw/zinc/04/59/78/642045978.db2.gz YHGWPMYZGVQLMF-SNVBAGLBSA-N 2 2 243.326 0.098 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444789572 642187101 /nfs/dbraw/zinc/18/71/01/642187101.db2.gz FELAWVGXLUNHKD-UWVGGRQHSA-N 2 2 236.319 0.473 20 0 BCADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444789572 642187108 /nfs/dbraw/zinc/18/71/08/642187108.db2.gz FELAWVGXLUNHKD-UWVGGRQHSA-N 2 2 236.319 0.473 20 0 BCADLP O=C(Cn1cc[nH+]c1)NC1C[NH+](CC2CC2)C1 ZINC001031476399 642196531 /nfs/dbraw/zinc/19/65/31/642196531.db2.gz MLFZLTOBTYSDSY-UHFFFAOYSA-N 2 2 234.303 0.094 20 0 BCADLP C[NH2+]C1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000307940235 642350426 /nfs/dbraw/zinc/35/04/26/642350426.db2.gz MSVRWFCTSCVNMC-SECBINFHSA-N 2 2 240.269 0.984 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000353498418 642857906 /nfs/dbraw/zinc/85/79/06/642857906.db2.gz AFUDCVZYUKYUIJ-MWLCHTKSSA-N 2 2 238.335 0.299 20 0 BCADLP Cc1cccn2cc(CCNC(N)=[NH2+])[nH+]c12 ZINC000081781276 643256895 /nfs/dbraw/zinc/25/68/95/643256895.db2.gz GSROVNRMQNZTGS-UHFFFAOYSA-N 2 2 217.276 0.459 20 0 BCADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921594809 643617225 /nfs/dbraw/zinc/61/72/25/643617225.db2.gz VWPUSUKROQDLPN-NSHDSACASA-N 2 2 221.304 0.971 20 0 BCADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921594809 643617231 /nfs/dbraw/zinc/61/72/31/643617231.db2.gz VWPUSUKROQDLPN-NSHDSACASA-N 2 2 221.304 0.971 20 0 BCADLP Cc1ccc(O)c(C[N@@H+]2CCC[NH2+]CC2)n1 ZINC000085973142 643870890 /nfs/dbraw/zinc/87/08/90/643870890.db2.gz GQPOLOOZDGQDEX-UHFFFAOYSA-N 2 2 221.304 0.891 20 0 BCADLP Cc1ccc(O)c(C[N@H+]2CCC[NH2+]CC2)n1 ZINC000085973142 643870893 /nfs/dbraw/zinc/87/08/93/643870893.db2.gz GQPOLOOZDGQDEX-UHFFFAOYSA-N 2 2 221.304 0.891 20 0 BCADLP COC(=O)/C=C(/C)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000929311373 644065188 /nfs/dbraw/zinc/06/51/88/644065188.db2.gz CJDLQUMDLVOSTA-WBJUDYSNSA-N 2 2 224.304 0.257 20 0 BCADLP CSC[C@@H](O)C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000923282394 644315234 /nfs/dbraw/zinc/31/52/34/644315234.db2.gz VILVTEGKYBAQPA-UWVGGRQHSA-N 2 2 218.366 0.524 20 0 BCADLP CCOCC[C@H](O)C[N@H+](C)[C@@H](C)C[NH3+] ZINC000923289272 644323834 /nfs/dbraw/zinc/32/38/34/644323834.db2.gz GLWSGFGFXXXLHS-UWVGGRQHSA-N 2 2 204.314 0.053 20 0 BCADLP CCOCC[C@H](O)C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000923289272 644323841 /nfs/dbraw/zinc/32/38/41/644323841.db2.gz GLWSGFGFXXXLHS-UWVGGRQHSA-N 2 2 204.314 0.053 20 0 BCADLP CSC[C@@H](O)C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000923282394 644315231 /nfs/dbraw/zinc/31/52/31/644315231.db2.gz VILVTEGKYBAQPA-UWVGGRQHSA-N 2 2 218.366 0.524 20 0 BCADLP CSC[C@H](O)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000923292315 644330283 /nfs/dbraw/zinc/33/02/83/644330283.db2.gz HRHLEHHAVFWSBL-RKDXNWHRSA-N 2 2 204.339 0.133 20 0 BCADLP CSC[C@H](O)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000923292315 644330287 /nfs/dbraw/zinc/33/02/87/644330287.db2.gz HRHLEHHAVFWSBL-RKDXNWHRSA-N 2 2 204.339 0.133 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](O)CSC ZINC000923294861 644331959 /nfs/dbraw/zinc/33/19/59/644331959.db2.gz PFJFDUTXDPYVAI-UWVGGRQHSA-N 2 2 218.366 0.394 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H](O)CSC ZINC000923294861 644331968 /nfs/dbraw/zinc/33/19/68/644331968.db2.gz PFJFDUTXDPYVAI-UWVGGRQHSA-N 2 2 218.366 0.394 20 0 BCADLP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H](O)C(F)(F)F ZINC000923295550 644333166 /nfs/dbraw/zinc/33/31/66/644333166.db2.gz CLCMOYONHGEHHT-SFYZADRCSA-N 2 2 228.258 0.873 20 0 BCADLP CCOCC[C@@H](O)C[N@@H+]1CCC[C@@H]1C[NH2+]C ZINC000923295447 644333505 /nfs/dbraw/zinc/33/35/05/644333505.db2.gz WSTCNUNCKRHODE-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP CCOCC[C@@H](O)C[N@H+]1CCC[C@@H]1C[NH2+]C ZINC000923295447 644333509 /nfs/dbraw/zinc/33/35/09/644333509.db2.gz WSTCNUNCKRHODE-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP C(C[NH2+]C1CC1)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923331322 644346751 /nfs/dbraw/zinc/34/67/51/644346751.db2.gz JJKSCNJOZCBDIE-ZDUSSCGKSA-N 3 2 223.364 0.814 20 0 BCADLP C(C[NH2+]C1CC1)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923331322 644346756 /nfs/dbraw/zinc/34/67/56/644346756.db2.gz JJKSCNJOZCBDIE-ZDUSSCGKSA-N 3 2 223.364 0.814 20 0 BCADLP CC1([NH3+])CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923344556 644364807 /nfs/dbraw/zinc/36/48/07/644364807.db2.gz DXJJFYUUDZOSFQ-UHFFFAOYSA-N 3 2 211.353 0.942 20 0 BCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000923383301 644393251 /nfs/dbraw/zinc/39/32/51/644393251.db2.gz YNEBBPURKQBHHQ-BWZBUEFSSA-N 2 2 226.242 0.769 20 0 BCADLP CCCCOC[C@H](O)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000923391668 644395689 /nfs/dbraw/zinc/39/56/89/644395689.db2.gz OHHZQTDRENOXNV-OTTFEQOBSA-N 2 2 242.363 0.587 20 0 BCADLP CCCCOC[C@H](O)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000923391668 644395692 /nfs/dbraw/zinc/39/56/92/644395692.db2.gz OHHZQTDRENOXNV-OTTFEQOBSA-N 2 2 242.363 0.587 20 0 BCADLP C(CO[C@H]1CCOC1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923399086 644404330 /nfs/dbraw/zinc/40/43/30/644404330.db2.gz NXMLSTBEAZYFSR-RYUDHWBXSA-N 2 2 240.347 0.666 20 0 BCADLP CC[N@H+](CC[NH3+])C[C@@H](O)COc1ccccc1 ZINC000923401798 644406414 /nfs/dbraw/zinc/40/64/14/644406414.db2.gz QNTMYBLQVKTIQH-GFCCVEGCSA-N 2 2 238.331 0.707 20 0 BCADLP CC[N@@H+](CC[NH3+])C[C@@H](O)COc1ccccc1 ZINC000923401798 644406417 /nfs/dbraw/zinc/40/64/17/644406417.db2.gz QNTMYBLQVKTIQH-GFCCVEGCSA-N 2 2 238.331 0.707 20 0 BCADLP CC(C)OC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923400088 644407749 /nfs/dbraw/zinc/40/77/49/644407749.db2.gz UTCYSJUKWQDEEU-VXGBXAGGSA-N 2 2 242.363 0.647 20 0 BCADLP CC(C)OCC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000923412141 644413526 /nfs/dbraw/zinc/41/35/26/644413526.db2.gz HCJGDCCOGJLWSX-WOPDTQHZSA-N 2 2 230.352 0.584 20 0 BCADLP CC(C)OCC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000923412141 644413529 /nfs/dbraw/zinc/41/35/29/644413529.db2.gz HCJGDCCOGJLWSX-WOPDTQHZSA-N 2 2 230.352 0.584 20 0 BCADLP CO[C@@H]1C[N@H+](C[C@H](O)CSC)[C@](C)(C[NH3+])C1 ZINC000923412164 644413858 /nfs/dbraw/zinc/41/38/58/644413858.db2.gz PSWBVJTUWOICFV-DCAQKATOSA-N 2 2 248.392 0.148 20 0 BCADLP CO[C@@H]1C[N@@H+](C[C@H](O)CSC)[C@](C)(C[NH3+])C1 ZINC000923412164 644413862 /nfs/dbraw/zinc/41/38/62/644413862.db2.gz PSWBVJTUWOICFV-DCAQKATOSA-N 2 2 248.392 0.148 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000923423253 644419815 /nfs/dbraw/zinc/41/98/15/644419815.db2.gz WVDWVNBMQGSNDW-MNOVXSKESA-N 3 2 211.353 0.844 20 0 BCADLP CSC[C@@H](O)C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000923430940 644425477 /nfs/dbraw/zinc/42/54/77/644425477.db2.gz PMPKMXPTJUHKGO-IUCAKERBSA-N 2 2 218.366 0.379 20 0 BCADLP CSC[C@@H](O)C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000923430940 644425481 /nfs/dbraw/zinc/42/54/81/644425481.db2.gz PMPKMXPTJUHKGO-IUCAKERBSA-N 2 2 218.366 0.379 20 0 BCADLP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000923432800 644426827 /nfs/dbraw/zinc/42/68/27/644426827.db2.gz PWSHSTROBVLHLT-NWDGAFQWSA-N 2 2 244.379 0.689 20 0 BCADLP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000923432800 644426831 /nfs/dbraw/zinc/42/68/31/644426831.db2.gz PWSHSTROBVLHLT-NWDGAFQWSA-N 2 2 244.379 0.689 20 0 BCADLP [NH3+]CCC[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000923438334 644432128 /nfs/dbraw/zinc/43/21/28/644432128.db2.gz BVBFTHKPMKJKPG-UHFFFAOYSA-N 2 2 220.320 0.925 20 0 BCADLP [NH3+]CCC[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000923438334 644432132 /nfs/dbraw/zinc/43/21/32/644432132.db2.gz BVBFTHKPMKJKPG-UHFFFAOYSA-N 2 2 220.320 0.925 20 0 BCADLP CO[C@@H](C[N@@H+]1CCNCC[NH2+]CC1)C1CCC1 ZINC000923459767 644436321 /nfs/dbraw/zinc/43/63/21/644436321.db2.gz FTDUDRKXLIDMIC-ZDUSSCGKSA-N 2 2 241.379 0.296 20 0 BCADLP CO[C@@H](C[N@H+]1CCNCC[NH2+]CC1)C1CCC1 ZINC000923459767 644436324 /nfs/dbraw/zinc/43/63/24/644436324.db2.gz FTDUDRKXLIDMIC-ZDUSSCGKSA-N 2 2 241.379 0.296 20 0 BCADLP CO[C@@H](CN1CC[NH2+]CC[NH2+]CC1)C1CCC1 ZINC000923459767 644436328 /nfs/dbraw/zinc/43/63/28/644436328.db2.gz FTDUDRKXLIDMIC-ZDUSSCGKSA-N 2 2 241.379 0.296 20 0 BCADLP Cc1ccccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923466657 644444287 /nfs/dbraw/zinc/44/42/87/644444287.db2.gz SUJQUODUSHAYHO-UHFFFAOYSA-N 2 2 233.359 0.990 20 0 BCADLP CC[C@@H]1C[C@H]1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460019 644444334 /nfs/dbraw/zinc/44/43/34/644444334.db2.gz KKFIORFXPNPMPL-NEPJUHHUSA-N 2 2 211.353 0.527 20 0 BCADLP CC(C)OCCC[N@@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923476088 644453412 /nfs/dbraw/zinc/45/34/12/644453412.db2.gz GEOJNUIZKDDGPL-GFCCVEGCSA-N 2 2 230.352 0.587 20 0 BCADLP CC(C)OCCC[N@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923476088 644453418 /nfs/dbraw/zinc/45/34/18/644453418.db2.gz GEOJNUIZKDDGPL-GFCCVEGCSA-N 2 2 230.352 0.587 20 0 BCADLP CC1(C)CO[C@H](C[N@@H+]2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000923472908 644457237 /nfs/dbraw/zinc/45/72/37/644457237.db2.gz JZGNTAVFBFWGKU-AAEUAGOBSA-N 2 2 242.363 0.587 20 0 BCADLP CC1(C)CO[C@H](C[N@H+]2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000923472908 644457240 /nfs/dbraw/zinc/45/72/40/644457240.db2.gz JZGNTAVFBFWGKU-AAEUAGOBSA-N 2 2 242.363 0.587 20 0 BCADLP CC1(C)CO[C@@H](C[N@@H+]2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000923472911 644457273 /nfs/dbraw/zinc/45/72/73/644457273.db2.gz JZGNTAVFBFWGKU-YPMHNXCESA-N 2 2 242.363 0.587 20 0 BCADLP CC1(C)CO[C@@H](C[N@H+]2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000923472911 644457275 /nfs/dbraw/zinc/45/72/75/644457275.db2.gz JZGNTAVFBFWGKU-YPMHNXCESA-N 2 2 242.363 0.587 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923508704 644477883 /nfs/dbraw/zinc/47/78/83/644477883.db2.gz MPUBIPWVORBDHZ-IJLUTSLNSA-N 2 2 230.352 0.441 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923508704 644477888 /nfs/dbraw/zinc/47/78/88/644477888.db2.gz MPUBIPWVORBDHZ-IJLUTSLNSA-N 2 2 230.352 0.441 20 0 BCADLP CCOC[C@H](O)C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923529550 644485399 /nfs/dbraw/zinc/48/53/99/644485399.db2.gz AASDQJRYJVUXDT-OLZOCXBDSA-N 2 2 242.363 0.602 20 0 BCADLP CCOC[C@H](O)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923529550 644485404 /nfs/dbraw/zinc/48/54/04/644485404.db2.gz AASDQJRYJVUXDT-OLZOCXBDSA-N 2 2 242.363 0.602 20 0 BCADLP CC[C@H](O)C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923529926 644486880 /nfs/dbraw/zinc/48/68/80/644486880.db2.gz DVZSCLWUQHFCNY-RYUDHWBXSA-N 2 2 212.337 0.975 20 0 BCADLP CC[C@H](O)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923529926 644486885 /nfs/dbraw/zinc/48/68/85/644486885.db2.gz DVZSCLWUQHFCNY-RYUDHWBXSA-N 2 2 212.337 0.975 20 0 BCADLP OC[C@@H]1CCCCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000923531059 644486974 /nfs/dbraw/zinc/48/69/74/644486974.db2.gz OMUTYHHLKANWMR-NWDGAFQWSA-N 2 2 228.336 0.212 20 0 BCADLP OC[C@@H]1CCCCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000923531059 644486976 /nfs/dbraw/zinc/48/69/76/644486976.db2.gz OMUTYHHLKANWMR-NWDGAFQWSA-N 2 2 228.336 0.212 20 0 BCADLP COC[C@H]1COCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000923555577 644497685 /nfs/dbraw/zinc/49/76/85/644497685.db2.gz BSANFOUGLKIIAC-WOPDTQHZSA-N 2 2 228.336 0.189 20 0 BCADLP COC[C@H]1COCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000923555577 644497687 /nfs/dbraw/zinc/49/76/87/644497687.db2.gz BSANFOUGLKIIAC-WOPDTQHZSA-N 2 2 228.336 0.189 20 0 BCADLP CCn1c[nH+]c2c1CCN(C[C@@H]1CC[NH2+]C1)C2 ZINC000923557714 644501556 /nfs/dbraw/zinc/50/15/56/644501556.db2.gz NZYGEVJGBFXEAS-LLVKDONJSA-N 2 2 234.347 0.871 20 0 BCADLP CCC[N@H+](C[C@@H](O)COCC)[C@H]1CC[NH2+]C1 ZINC000249738622 644739750 /nfs/dbraw/zinc/73/97/50/644739750.db2.gz CYPMDXBABPRYAD-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP CCC[N@@H+](C[C@@H](O)COCC)[C@H]1CC[NH2+]C1 ZINC000249738622 644739758 /nfs/dbraw/zinc/73/97/58/644739758.db2.gz CYPMDXBABPRYAD-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP C[N@@H+]1CC[C@]2(CC[NH+](CC3OCCO3)C2)C1 ZINC000795318029 644809644 /nfs/dbraw/zinc/80/96/44/644809644.db2.gz XMMQNUBFJFJMQZ-LBPRGKRZSA-N 2 2 226.320 0.387 20 0 BCADLP C[N@H+]1CC[C@]2(CC[NH+](CC3OCCO3)C2)C1 ZINC000795318029 644809652 /nfs/dbraw/zinc/80/96/52/644809652.db2.gz XMMQNUBFJFJMQZ-LBPRGKRZSA-N 2 2 226.320 0.387 20 0 BCADLP C[NH+]1CC[C@]2(CC[N@H+](CC3OCCO3)C2)C1 ZINC000795318029 644809655 /nfs/dbraw/zinc/80/96/55/644809655.db2.gz XMMQNUBFJFJMQZ-LBPRGKRZSA-N 2 2 226.320 0.387 20 0 BCADLP C[NH+]1CC[C@]2(CC[N@@H+](CC3OCCO3)C2)C1 ZINC000795318029 644809661 /nfs/dbraw/zinc/80/96/61/644809661.db2.gz XMMQNUBFJFJMQZ-LBPRGKRZSA-N 2 2 226.320 0.387 20 0 BCADLP O[C@@H](C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)C(F)(F)F ZINC000304595737 644913588 /nfs/dbraw/zinc/91/35/88/644913588.db2.gz UVZSZUBOPKGTMG-IUCAKERBSA-N 2 2 238.253 0.595 20 0 BCADLP O[C@@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)C(F)(F)F ZINC000304595737 644913595 /nfs/dbraw/zinc/91/35/95/644913595.db2.gz UVZSZUBOPKGTMG-IUCAKERBSA-N 2 2 238.253 0.595 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000253107114 644936852 /nfs/dbraw/zinc/93/68/52/644936852.db2.gz VCQBHAIJSWOVHT-WISYIIOYSA-N 2 2 242.363 0.502 20 0 BCADLP CC(C)[C@@H](C[NH+](C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000827531832 645080923 /nfs/dbraw/zinc/08/09/23/645080923.db2.gz DYLWHCVPRIHGMO-SNVBAGLBSA-N 2 2 238.335 0.655 20 0 BCADLP COCC[N@H+](CCC(=O)OC)CC(C)(C)[NH3+] ZINC000843061303 645259875 /nfs/dbraw/zinc/25/98/75/645259875.db2.gz GTDAFQHWMITWFY-UHFFFAOYSA-N 2 2 232.324 0.235 20 0 BCADLP COCC[N@@H+](CCC(=O)OC)CC(C)(C)[NH3+] ZINC000843061303 645259879 /nfs/dbraw/zinc/25/98/79/645259879.db2.gz GTDAFQHWMITWFY-UHFFFAOYSA-N 2 2 232.324 0.235 20 0 BCADLP [NH3+]CC[N@H+](CCO)CC[C@@H]1CC1(Cl)Cl ZINC000843368235 645286197 /nfs/dbraw/zinc/28/61/97/645286197.db2.gz PBMXTQTUUWBZOG-MRVPVSSYSA-N 2 2 241.162 0.823 20 0 BCADLP [NH3+]CC[N@@H+](CCO)CC[C@@H]1CC1(Cl)Cl ZINC000843368235 645286201 /nfs/dbraw/zinc/28/62/01/645286201.db2.gz PBMXTQTUUWBZOG-MRVPVSSYSA-N 2 2 241.162 0.823 20 0 BCADLP CCON(C)C(=O)C[NH2+]C1CC[NH+](C)CC1 ZINC000846063814 645393525 /nfs/dbraw/zinc/39/35/25/645393525.db2.gz ITRMUCZOOJKSGV-UHFFFAOYSA-N 2 2 229.324 0.080 20 0 BCADLP CCCCOCCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925488858 645522667 /nfs/dbraw/zinc/52/26/67/645522667.db2.gz MRRKNYYEDQSBJF-GFCCVEGCSA-N 2 2 230.352 0.771 20 0 BCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928550429 645803252 /nfs/dbraw/zinc/80/32/52/645803252.db2.gz VWGSEHJGOCUMQE-JTQLQIEISA-N 2 2 222.292 0.012 20 0 BCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928550429 645803254 /nfs/dbraw/zinc/80/32/54/645803254.db2.gz VWGSEHJGOCUMQE-JTQLQIEISA-N 2 2 222.292 0.012 20 0 BCADLP C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000928553529 645809894 /nfs/dbraw/zinc/80/98/94/645809894.db2.gz BSBLMGZIUUVHMG-MNOVXSKESA-N 2 2 248.330 0.266 20 0 BCADLP C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000928553529 645809900 /nfs/dbraw/zinc/80/99/00/645809900.db2.gz BSBLMGZIUUVHMG-MNOVXSKESA-N 2 2 248.330 0.266 20 0 BCADLP C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000928553532 645810393 /nfs/dbraw/zinc/81/03/93/645810393.db2.gz BSBLMGZIUUVHMG-WDEREUQCSA-N 2 2 248.330 0.266 20 0 BCADLP C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000928553532 645810398 /nfs/dbraw/zinc/81/03/98/645810398.db2.gz BSBLMGZIUUVHMG-WDEREUQCSA-N 2 2 248.330 0.266 20 0 BCADLP Cc1[nH]c(C[NH2+][C@H]2C(=O)NCC[C@H]2C)c(C)[nH+]1 ZINC000930328596 645951972 /nfs/dbraw/zinc/95/19/72/645951972.db2.gz VCEMHKOOFOASJR-RDDDGLTNSA-N 2 2 236.319 0.641 20 0 BCADLP Cc1[nH]c(C[N@H+](CCO)C2CC2)c(C)[nH+]1 ZINC000929266234 646046389 /nfs/dbraw/zinc/04/63/89/646046389.db2.gz ISMQQVGUMYQGHR-UHFFFAOYSA-N 2 2 209.293 0.983 20 0 BCADLP Cc1[nH]c(C[N@@H+](CCO)C2CC2)c(C)[nH+]1 ZINC000929266234 646046395 /nfs/dbraw/zinc/04/63/95/646046395.db2.gz ISMQQVGUMYQGHR-UHFFFAOYSA-N 2 2 209.293 0.983 20 0 BCADLP c1cn(CC[NH2+][C@@H]2CN3C[C@@H]2CCC3)c[nH+]1 ZINC000924552905 646066440 /nfs/dbraw/zinc/06/64/40/646066440.db2.gz OQBNFJKDQDCOPP-NWDGAFQWSA-N 2 2 220.320 0.567 20 0 BCADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cnnn2C)CC1 ZINC000924570929 646071348 /nfs/dbraw/zinc/07/13/48/646071348.db2.gz SADLNKRWXUQKPF-JTQLQIEISA-N 2 2 237.351 0.950 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cnn(C)n1 ZINC000924871141 646121080 /nfs/dbraw/zinc/12/10/80/646121080.db2.gz DAMCTMCJZRVJQN-SECBINFHSA-N 2 2 234.307 0.671 20 0 BCADLP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CNCCOC1 ZINC000925473695 646289388 /nfs/dbraw/zinc/28/93/88/646289388.db2.gz OKYUKVLKBGKAMV-GFCCVEGCSA-N 2 2 238.335 0.160 20 0 BCADLP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H]1COCCO1 ZINC000925484069 646294145 /nfs/dbraw/zinc/29/41/45/646294145.db2.gz BTDKMQMGLRFWGR-QWRGUYRKSA-N 2 2 226.320 0.276 20 0 BCADLP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@@H]1COCCO1 ZINC000925484067 646294634 /nfs/dbraw/zinc/29/46/34/646294634.db2.gz BTDKMQMGLRFWGR-GHMZBOCLSA-N 2 2 226.320 0.276 20 0 BCADLP CC(C)C(=O)NCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925509346 646308436 /nfs/dbraw/zinc/30/84/36/646308436.db2.gz MBKROCSAOWDNPH-JTQLQIEISA-N 2 2 227.352 0.489 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000925520768 646313379 /nfs/dbraw/zinc/31/33/79/646313379.db2.gz YBOFSZWOFWEKHD-WCQGTBRESA-N 2 2 238.335 0.184 20 0 BCADLP C(C[C@H]1CCCO1)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925536423 646314341 /nfs/dbraw/zinc/31/43/41/646314341.db2.gz OXSPQXJKIIFIHV-WDEREUQCSA-N 2 2 214.309 0.134 20 0 BCADLP C[C@@H](O)[C@@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000929804625 646327985 /nfs/dbraw/zinc/32/79/85/646327985.db2.gz XBZXSGBZTDNHBZ-PWSUYJOCSA-N 2 2 239.319 0.262 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCNc1cnccn1 ZINC000925555728 646330802 /nfs/dbraw/zinc/33/08/02/646330802.db2.gz ITHDAOYJGCGADS-WDEREUQCSA-N 2 2 235.335 0.619 20 0 BCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)[C@H](C)O ZINC000929814358 646334078 /nfs/dbraw/zinc/33/40/78/646334078.db2.gz NPXOEFUSXFMPID-QNWHQSFQSA-N 2 2 242.363 0.287 20 0 BCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)[C@H](C)O ZINC000929814358 646334082 /nfs/dbraw/zinc/33/40/82/646334082.db2.gz NPXOEFUSXFMPID-QNWHQSFQSA-N 2 2 242.363 0.287 20 0 BCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)[C@H](C)O ZINC000929814358 646334087 /nfs/dbraw/zinc/33/40/87/646334087.db2.gz NPXOEFUSXFMPID-QNWHQSFQSA-N 2 2 242.363 0.287 20 0 BCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)[C@H](C)O ZINC000929814358 646334089 /nfs/dbraw/zinc/33/40/89/646334089.db2.gz NPXOEFUSXFMPID-QNWHQSFQSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@H]([NH2+][C@H]1C[NH2+]CCOC1)C1CCOCC1 ZINC000925562778 646335634 /nfs/dbraw/zinc/33/56/34/646335634.db2.gz YDHIICWNNJPGIO-JQWIXIFHSA-N 2 2 228.336 0.380 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CCOC[C@H]1CCOC1 ZINC000925568958 646337232 /nfs/dbraw/zinc/33/72/32/646337232.db2.gz YYVPBJWBYGAAGR-NWDGAFQWSA-N 2 2 242.363 0.770 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCOC[C@@H]1CCOC1 ZINC000925566959 646337373 /nfs/dbraw/zinc/33/73/73/646337373.db2.gz MRABNFCORAJXKU-XQQFMLRXSA-N 2 2 242.363 0.770 20 0 BCADLP C1=CC[C@H](C[NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925618611 646350561 /nfs/dbraw/zinc/35/05/61/646350561.db2.gz XAAMUQIOZJXWJV-NWDGAFQWSA-N 2 2 210.321 0.921 20 0 BCADLP CC(C)NC(=O)CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925595895 646351904 /nfs/dbraw/zinc/35/19/04/646351904.db2.gz UANQAIJFMRGXOG-NSHDSACASA-N 2 2 239.363 0.775 20 0 BCADLP COC[C@@H](CCO)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925611339 646360783 /nfs/dbraw/zinc/36/07/83/646360783.db2.gz LIABOYCTVIPXNO-MNOVXSKESA-N 2 2 228.336 0.258 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000925613146 646362847 /nfs/dbraw/zinc/36/28/47/646362847.db2.gz AMAIEUCBDONOTA-YFKTTZPYSA-N 2 2 210.321 0.654 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000925613145 646363405 /nfs/dbraw/zinc/36/34/05/646363405.db2.gz AMAIEUCBDONOTA-WRWGMCAJSA-N 2 2 210.321 0.654 20 0 BCADLP C1COCC[C@@H]([NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925636445 646371753 /nfs/dbraw/zinc/37/17/53/646371753.db2.gz SMASLAVHAIMXDM-QWRGUYRKSA-N 2 2 214.309 0.134 20 0 BCADLP C(C[C@H]1CCCCO1)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925631483 646376082 /nfs/dbraw/zinc/37/60/82/646376082.db2.gz HKPNUXDZGLABCZ-NWDGAFQWSA-N 2 2 228.336 0.524 20 0 BCADLP C1CC1[C@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CCOC2)CCO1 ZINC000925640297 646382212 /nfs/dbraw/zinc/38/22/12/646382212.db2.gz RMTJELQPGMCWBD-YNEHKIRRSA-N 2 2 240.347 0.522 20 0 BCADLP COCC1(C[NH2+][C@H]2C[NH2+]CCOC2)CCC1 ZINC000925662964 646397632 /nfs/dbraw/zinc/39/76/32/646397632.db2.gz QCIVTWWBUABENZ-NSHDSACASA-N 2 2 228.336 0.381 20 0 BCADLP COCC1(C[NH2+][C@@H]2C[NH2+]CCOC2)CCC1 ZINC000925662962 646398482 /nfs/dbraw/zinc/39/84/82/646398482.db2.gz QCIVTWWBUABENZ-LLVKDONJSA-N 2 2 228.336 0.381 20 0 BCADLP COC[C@H](O)C[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925668778 646400573 /nfs/dbraw/zinc/40/05/73/646400573.db2.gz ZWHBTHIWHYZRLQ-RAIGVLPGSA-N 2 2 238.331 0.672 20 0 BCADLP Cn1ncc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925670049 646400979 /nfs/dbraw/zinc/40/09/79/646400979.db2.gz GGISXCMTXZBZGC-VHSXEESVSA-N 2 2 237.351 0.811 20 0 BCADLP C([NH2+][C@H]1C[NH2+]CCOC1)[C@@H]1CC12CCOCC2 ZINC000925681245 646408604 /nfs/dbraw/zinc/40/86/04/646408604.db2.gz MVDTWOOTXWKWFK-RYUDHWBXSA-N 2 2 240.347 0.381 20 0 BCADLP C(C[NH2+][C@@H]1C[NH2+]CCOC1)CC1CCOCC1 ZINC000925680594 646409442 /nfs/dbraw/zinc/40/94/42/646409442.db2.gz QOIWJBQLUGKCRD-CYBMUJFWSA-N 2 2 242.363 0.771 20 0 BCADLP CCS(=O)(=O)CCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925693543 646420020 /nfs/dbraw/zinc/42/00/20/646420020.db2.gz SHXOQOPYHRNULB-QWRGUYRKSA-N 2 2 248.392 0.541 20 0 BCADLP COC1CCC([NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925697661 646421959 /nfs/dbraw/zinc/42/19/59/646421959.db2.gz ZESKTKSHSPENRF-CXQJBGSLSA-N 2 2 228.336 0.522 20 0 BCADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925701045 646425048 /nfs/dbraw/zinc/42/50/48/646425048.db2.gz UYWSVYDINSFCLE-KXNHARMFSA-N 3 2 223.364 0.844 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000925719030 646438247 /nfs/dbraw/zinc/43/82/47/646438247.db2.gz PWGYQVRGVHXNSE-WDEREUQCSA-N 3 2 215.341 0.082 20 0 BCADLP [NH3+]CCCOCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925716701 646440531 /nfs/dbraw/zinc/44/05/31/646440531.db2.gz GBOSCOKXIZFCBV-NSHDSACASA-N 3 2 227.352 0.226 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000925717111 646441548 /nfs/dbraw/zinc/44/15/48/646441548.db2.gz ITDZWONPZXONOX-JTQLQIEISA-N 3 2 215.341 0.082 20 0 BCADLP CC(=O)N1CC[C@@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)C1 ZINC000925722778 646448219 /nfs/dbraw/zinc/44/82/19/646448219.db2.gz YNNIHQYQMZCIOW-WCQGTBRESA-N 2 2 225.336 0.337 20 0 BCADLP C1CC12CCC[C@@H]2[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925724719 646449215 /nfs/dbraw/zinc/44/92/15/646449215.db2.gz LRZBHJUVEONUPV-MNOVXSKESA-N 2 2 210.321 0.897 20 0 BCADLP C(C[C@H]1CCSC1)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925725166 646449907 /nfs/dbraw/zinc/44/99/07/646449907.db2.gz QSYNCWRRLIMZNO-WDEREUQCSA-N 2 2 230.377 0.708 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCN(C)CC(F)F ZINC000925724315 646449969 /nfs/dbraw/zinc/44/99/69/646449969.db2.gz IZZSFNCDGFHYKV-VHSXEESVSA-N 2 2 235.322 0.913 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cnn(C)n1 ZINC000925811660 646490693 /nfs/dbraw/zinc/49/06/93/646490693.db2.gz DTUSEZCGGZRWHU-NXEZZACHSA-N 2 2 246.318 0.677 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925834586 646503007 /nfs/dbraw/zinc/50/30/07/646503007.db2.gz ZBWYXMFRWFQGNV-BNDIWNMDSA-N 2 2 240.347 0.378 20 0 BCADLP CC1(C)[C@@H]([NH2+][C@@H]2CNOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925860268 646513018 /nfs/dbraw/zinc/51/30/18/646513018.db2.gz OJJFBNNKWUNKDV-ZNSHCXBVSA-N 2 2 225.336 0.256 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CNOC2)[C@@H](C)C1 ZINC000925869769 646520003 /nfs/dbraw/zinc/52/00/03/646520003.db2.gz JQZRJOIXJHUEAG-GARJFASQSA-N 2 2 213.325 0.210 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CNOC2)[C@@H](C)C1 ZINC000925869769 646520004 /nfs/dbraw/zinc/52/00/04/646520004.db2.gz JQZRJOIXJHUEAG-GARJFASQSA-N 2 2 213.325 0.210 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000925873487 646524228 /nfs/dbraw/zinc/52/42/28/646524228.db2.gz APVMCEAXQKPSKT-GRYCIOLGSA-N 2 2 228.336 0.380 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000925873491 646524584 /nfs/dbraw/zinc/52/45/84/646524584.db2.gz APVMCEAXQKPSKT-UTUOFQBUSA-N 2 2 228.336 0.380 20 0 BCADLP COC[C@H](C[NH2+][C@@H]1C[NH2+]CCOC1)C(C)C ZINC000925874514 646525760 /nfs/dbraw/zinc/52/57/60/646525760.db2.gz SHVZXTSJNPJGPW-NWDGAFQWSA-N 2 2 230.352 0.483 20 0 BCADLP CCOCCOCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000925876231 646526297 /nfs/dbraw/zinc/52/62/97/646526297.db2.gz ZMQKIQYSKZVBNY-NEPJUHHUSA-N 2 2 230.352 0.627 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H](O)c1ccnn1C ZINC000925891145 646533776 /nfs/dbraw/zinc/53/37/76/646533776.db2.gz SRCKJZFYRISOMR-FOGDFJRCSA-N 2 2 238.335 0.041 20 0 BCADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cnnn1C ZINC000926449038 646639584 /nfs/dbraw/zinc/63/95/84/646639584.db2.gz CKESITWGEWXRHV-IUCAKERBSA-N 2 2 246.318 0.746 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724596356 711596357 /nfs/dbraw/zinc/59/63/57/711596357.db2.gz VSOMCCMFTGZOTJ-CHWFTXMASA-N 2 2 214.309 0.069 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724596356 711596362 /nfs/dbraw/zinc/59/63/62/711596362.db2.gz VSOMCCMFTGZOTJ-CHWFTXMASA-N 2 2 214.309 0.069 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724612434 711598536 /nfs/dbraw/zinc/59/85/36/711598536.db2.gz JZOFJQQPYLLJPN-GCHJQGSQSA-N 2 2 226.320 0.212 20 0 BCADLP CSC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719818 711748371 /nfs/dbraw/zinc/74/83/71/711748371.db2.gz FRBOTOHZLUKJQP-WOPDTQHZSA-N 2 2 244.404 0.879 20 0 BCADLP CSC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931719818 711748373 /nfs/dbraw/zinc/74/83/73/711748373.db2.gz FRBOTOHZLUKJQP-WOPDTQHZSA-N 2 2 244.404 0.879 20 0 BCADLP CSC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931719818 711748375 /nfs/dbraw/zinc/74/83/75/711748375.db2.gz FRBOTOHZLUKJQP-WOPDTQHZSA-N 2 2 244.404 0.879 20 0 BCADLP C[C@H]([NH2+]CCO[C@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000925875595 711761516 /nfs/dbraw/zinc/76/15/16/711761516.db2.gz VDAWFQCAPFRWDJ-AVGNSLFASA-N 2 2 242.363 0.912 20 0 BCADLP [NH3+][C@@H](CC(=O)NC[C@H]1CCCC[NH2+]1)C(F)F ZINC000911715497 711819541 /nfs/dbraw/zinc/81/95/41/711819541.db2.gz YMIFEGMVASYSSY-SFYZADRCSA-N 2 2 235.278 0.227 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCCC[NH2+]1 ZINC000911715224 711819546 /nfs/dbraw/zinc/81/95/46/711819546.db2.gz VMAAPJNSKFIAID-VIFPVBQESA-N 2 2 222.292 0.211 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCO[C@H]1CC1(F)F)C2 ZINC000702053974 712037100 /nfs/dbraw/zinc/03/71/00/712037100.db2.gz QWFIYSBYISZJFL-GARJFASQSA-N 2 2 246.301 0.952 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCO[C@H]1CC1(F)F)C2 ZINC000702053974 712037103 /nfs/dbraw/zinc/03/71/03/712037103.db2.gz QWFIYSBYISZJFL-GARJFASQSA-N 2 2 246.301 0.952 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCOCCF ZINC000702653549 712058774 /nfs/dbraw/zinc/05/87/74/712058774.db2.gz FTQKYWCKIZBNSH-ZJUUUORDSA-N 2 2 204.289 0.703 20 0 BCADLP CC1(C)C[C@H](CNC(C[NH3+])C[NH3+])C(C)(C)O1 ZINC000710293697 712251133 /nfs/dbraw/zinc/25/11/33/712251133.db2.gz USSQTRTYYOLVOT-SECBINFHSA-N 2 2 229.368 0.456 20 0 BCADLP COC1(OC)CC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000711043007 712276150 /nfs/dbraw/zinc/27/61/50/712276150.db2.gz UGJPQBNNWLPMEH-NSHDSACASA-N 2 2 228.336 0.822 20 0 BCADLP CCCCOC[C@@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC000379775645 712398879 /nfs/dbraw/zinc/39/88/79/712398879.db2.gz CTUBVEGKVSCYTR-QWRGUYRKSA-N 2 2 218.341 0.443 20 0 BCADLP CCCCOC[C@@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC000379775645 712398880 /nfs/dbraw/zinc/39/88/80/712398880.db2.gz CTUBVEGKVSCYTR-QWRGUYRKSA-N 2 2 218.341 0.443 20 0 BCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCOCCO ZINC000717431533 712657901 /nfs/dbraw/zinc/65/79/01/712657901.db2.gz RILNCPGRPGEENV-NWDGAFQWSA-N 2 2 228.336 0.164 20 0 BCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCOCCO ZINC000717431533 712657902 /nfs/dbraw/zinc/65/79/02/712657902.db2.gz RILNCPGRPGEENV-NWDGAFQWSA-N 2 2 228.336 0.164 20 0 BCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCOCCO ZINC000717431533 712657903 /nfs/dbraw/zinc/65/79/03/712657903.db2.gz RILNCPGRPGEENV-NWDGAFQWSA-N 2 2 228.336 0.164 20 0 BCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCOCCO ZINC000717431533 712657904 /nfs/dbraw/zinc/65/79/04/712657904.db2.gz RILNCPGRPGEENV-NWDGAFQWSA-N 2 2 228.336 0.164 20 0 BCADLP C[C@H](CO)C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000720349377 712832355 /nfs/dbraw/zinc/83/23/55/712832355.db2.gz DMOXVBUDBVVEQU-SDDRHHMPSA-N 2 2 212.337 0.783 20 0 BCADLP C[C@H](CO)C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000720349377 712832357 /nfs/dbraw/zinc/83/23/57/712832357.db2.gz DMOXVBUDBVVEQU-SDDRHHMPSA-N 2 2 212.337 0.783 20 0 BCADLP C[C@H](CO)C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720349377 712832358 /nfs/dbraw/zinc/83/23/58/712832358.db2.gz DMOXVBUDBVVEQU-SDDRHHMPSA-N 2 2 212.337 0.783 20 0 BCADLP C[C@H](CO)C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720349377 712832361 /nfs/dbraw/zinc/83/23/61/712832361.db2.gz DMOXVBUDBVVEQU-SDDRHHMPSA-N 2 2 212.337 0.783 20 0 BCADLP CC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000720483024 712846786 /nfs/dbraw/zinc/84/67/86/712846786.db2.gz SYYUJJJUJSIBTH-QJPTWQEYSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000720483024 712846788 /nfs/dbraw/zinc/84/67/88/712846788.db2.gz SYYUJJJUJSIBTH-QJPTWQEYSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@H](O)C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720483024 712846791 /nfs/dbraw/zinc/84/67/91/712846791.db2.gz SYYUJJJUJSIBTH-QJPTWQEYSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@H](O)C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720483024 712846792 /nfs/dbraw/zinc/84/67/92/712846792.db2.gz SYYUJJJUJSIBTH-QJPTWQEYSA-N 2 2 212.337 0.926 20 0 BCADLP CC1(C)C[N@H+](CCc2cn[nH]c2)C[C@H]1[NH3+] ZINC000720797666 712866368 /nfs/dbraw/zinc/86/63/68/712866368.db2.gz FTDZNCZAINPECF-SNVBAGLBSA-N 2 2 208.309 0.621 20 0 BCADLP CC1(C)C[N@@H+](CCc2cn[nH]c2)C[C@H]1[NH3+] ZINC000720797666 712866370 /nfs/dbraw/zinc/86/63/70/712866370.db2.gz FTDZNCZAINPECF-SNVBAGLBSA-N 2 2 208.309 0.621 20 0 BCADLP COC(=O)/C(C)=C/C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000381328703 710623042 /nfs/dbraw/zinc/62/30/42/710623042.db2.gz SEKOCDLBJSTZCF-HJUGMNLHSA-N 2 2 224.304 0.257 20 0 BCADLP Cc1cn(C)nc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000723961729 710735557 /nfs/dbraw/zinc/73/55/57/710735557.db2.gz FWERRYXBQDQEAT-GFCCVEGCSA-N 2 2 222.336 0.899 20 0 BCADLP Cc1cn(C)nc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000723961729 710735559 /nfs/dbraw/zinc/73/55/59/710735559.db2.gz FWERRYXBQDQEAT-GFCCVEGCSA-N 2 2 222.336 0.899 20 0 BCADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1C[NH+](CC2CC2)C1 ZINC001043978384 710817398 /nfs/dbraw/zinc/81/73/98/710817398.db2.gz VHYYSAQFAHBNGH-UHFFFAOYSA-N 2 2 248.330 0.505 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000382532499 710972525 /nfs/dbraw/zinc/97/25/25/710972525.db2.gz JNZXIUIWZAHQMQ-LBPRGKRZSA-N 3 2 211.353 0.799 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000382532499 710972528 /nfs/dbraw/zinc/97/25/28/710972528.db2.gz JNZXIUIWZAHQMQ-LBPRGKRZSA-N 3 2 211.353 0.799 20 0 BCADLP c1cn(CCc2nc(C3CC[NH2+]CC3)no2)c[nH+]1 ZINC000385894004 711019557 /nfs/dbraw/zinc/01/95/57/711019557.db2.gz DVOUPQOBMKQDIU-UHFFFAOYSA-N 2 2 247.302 0.976 20 0 BCADLP CCOC(=O)/C=C\C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000380735324 712902875 /nfs/dbraw/zinc/90/28/75/712902875.db2.gz GBZVQMFMKBUMRG-XCPMARJRSA-N 2 2 224.304 0.257 20 0 BCADLP CCOC(=O)/C=C\C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000380735324 712902876 /nfs/dbraw/zinc/90/28/76/712902876.db2.gz GBZVQMFMKBUMRG-XCPMARJRSA-N 2 2 224.304 0.257 20 0 BCADLP CC(=O)OC[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000390296234 711111947 /nfs/dbraw/zinc/11/19/47/711111947.db2.gz AVMWCOKICVFYFZ-JTQLQIEISA-N 2 2 225.292 0.814 20 0 BCADLP CCN1C[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1=O ZINC000391626660 711139355 /nfs/dbraw/zinc/13/93/55/711139355.db2.gz XWGCTFABPQMUKN-UJSNTIJXSA-N 2 2 249.358 0.193 20 0 BCADLP CCN1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1=O ZINC000391626658 711140309 /nfs/dbraw/zinc/14/03/09/711140309.db2.gz XWGCTFABPQMUKN-GQFWMTIKSA-N 2 2 249.358 0.193 20 0 BCADLP CC(C)[C@H](O)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396595692 711359931 /nfs/dbraw/zinc/35/99/31/711359931.db2.gz VTDGJYRQSDHDSK-HBNTYKKESA-N 2 2 200.326 0.733 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000396615092 711360483 /nfs/dbraw/zinc/36/04/83/711360483.db2.gz SCBMUDAEABAILO-OLZOCXBDSA-N 2 2 241.379 0.439 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1NCCC[NH+]1CCOCC1 ZINC000396615092 711360486 /nfs/dbraw/zinc/36/04/86/711360486.db2.gz SCBMUDAEABAILO-OLZOCXBDSA-N 2 2 241.379 0.439 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccnn1C ZINC000381044894 710598893 /nfs/dbraw/zinc/59/88/93/710598893.db2.gz DCCZENCBTNQDBH-PWSUYJOCSA-N 2 2 222.336 0.502 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccnn1C ZINC000381044894 710598898 /nfs/dbraw/zinc/59/88/98/710598898.db2.gz DCCZENCBTNQDBH-PWSUYJOCSA-N 2 2 222.336 0.502 20 0 BCADLP COC[C@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)OC ZINC000396704650 711366743 /nfs/dbraw/zinc/36/67/43/711366743.db2.gz OCQRFGVJVUJHRD-OUAUKWLOSA-N 2 2 216.325 0.378 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000396715992 711363972 /nfs/dbraw/zinc/36/39/72/711363972.db2.gz OHVPCCOUFYIUOW-ZMLRMANQSA-N 2 2 212.337 0.878 20 0 BCADLP CCC[NH+]1CCC([NH2+]CC(=O)N(C)OC)CC1 ZINC000397524085 711385781 /nfs/dbraw/zinc/38/57/81/711385781.db2.gz GFEQGUQLNLXUCE-UHFFFAOYSA-N 2 2 243.351 0.470 20 0 BCADLP CON(C)C(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000397541874 711386239 /nfs/dbraw/zinc/38/62/39/711386239.db2.gz XIQYGJHAVJMQCA-VHSXEESVSA-N 2 2 229.324 0.079 20 0 BCADLP CON(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000397541874 711386242 /nfs/dbraw/zinc/38/62/42/711386242.db2.gz XIQYGJHAVJMQCA-VHSXEESVSA-N 2 2 229.324 0.079 20 0 BCADLP CON(C)C(=O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000397541879 711386721 /nfs/dbraw/zinc/38/67/21/711386721.db2.gz XIQYGJHAVJMQCA-ZJUUUORDSA-N 2 2 229.324 0.079 20 0 BCADLP CON(C)C(=O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000397541879 711386726 /nfs/dbraw/zinc/38/67/26/711386726.db2.gz XIQYGJHAVJMQCA-ZJUUUORDSA-N 2 2 229.324 0.079 20 0 BCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC1(CO)COC1 ZINC000717442241 711491343 /nfs/dbraw/zinc/49/13/43/711491343.db2.gz UUUILGISXTZCRH-NWDGAFQWSA-N 2 2 240.347 0.164 20 0 BCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC1(CO)COC1 ZINC000717442241 711491345 /nfs/dbraw/zinc/49/13/45/711491345.db2.gz UUUILGISXTZCRH-NWDGAFQWSA-N 2 2 240.347 0.164 20 0 BCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CC1(CO)COC1 ZINC000717442241 711491346 /nfs/dbraw/zinc/49/13/46/711491346.db2.gz UUUILGISXTZCRH-NWDGAFQWSA-N 2 2 240.347 0.164 20 0 BCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CC1(CO)COC1 ZINC000717442241 711491348 /nfs/dbraw/zinc/49/13/48/711491348.db2.gz UUUILGISXTZCRH-NWDGAFQWSA-N 2 2 240.347 0.164 20 0 BCADLP Cc1cn(C)nc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000723966042 711548430 /nfs/dbraw/zinc/54/84/30/711548430.db2.gz WQGIFSUGLBKDJX-NSHDSACASA-N 2 2 222.336 0.899 20 0 BCADLP Cc1cn(C)nc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000723966042 711548432 /nfs/dbraw/zinc/54/84/32/711548432.db2.gz WQGIFSUGLBKDJX-NSHDSACASA-N 2 2 222.336 0.899 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C[C@H]1[NH3+] ZINC000724560910 711590859 /nfs/dbraw/zinc/59/08/59/711590859.db2.gz XREIHTGETVBIFM-RMPHRYRLSA-N 2 2 226.320 0.069 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C[C@H]1[NH3+] ZINC000724560910 711590861 /nfs/dbraw/zinc/59/08/61/711590861.db2.gz XREIHTGETVBIFM-RMPHRYRLSA-N 2 2 226.320 0.069 20 0 BCADLP CC1(C)C[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C[C@H]1[NH3+] ZINC000724598280 711596322 /nfs/dbraw/zinc/59/63/22/711596322.db2.gz GOPFYGSLPSCGSU-NOOOWODRSA-N 2 2 240.347 0.459 20 0 BCADLP CC1(C)C[N@@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C[C@H]1[NH3+] ZINC000724598280 711596325 /nfs/dbraw/zinc/59/63/25/711596325.db2.gz GOPFYGSLPSCGSU-NOOOWODRSA-N 2 2 240.347 0.459 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724612434 711598534 /nfs/dbraw/zinc/59/85/34/711598534.db2.gz JZOFJQQPYLLJPN-GCHJQGSQSA-N 2 2 226.320 0.212 20 0 BCADLP C[C@@H]([NH3+])[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccccc1 ZINC000925719257 711715169 /nfs/dbraw/zinc/71/51/69/711715169.db2.gz NDPQEJCHJQSZFC-OJAKKHQRSA-N 2 2 247.342 0.928 20 0 BCADLP Cn1c[nH+]c(CCNC2=[NH+]CCCN2C)c1 ZINC000313460808 711726550 /nfs/dbraw/zinc/72/65/50/711726550.db2.gz KOKWQYYFAAJJTP-UHFFFAOYSA-N 2 2 221.308 0.244 20 0 BCADLP CSC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719818 711748369 /nfs/dbraw/zinc/74/83/69/711748369.db2.gz FRBOTOHZLUKJQP-WOPDTQHZSA-N 2 2 244.404 0.879 20 0 BCADLP CC[NH+]1CC(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001030618436 711838800 /nfs/dbraw/zinc/83/88/00/711838800.db2.gz GZNJCSVEMQMPQK-UHFFFAOYSA-N 2 2 244.298 0.768 20 0 BCADLP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ncccn1 ZINC000705288528 711900991 /nfs/dbraw/zinc/90/09/91/711900991.db2.gz JJJRFTHXJFDJPS-ZJUUUORDSA-N 2 2 206.293 0.694 20 0 BCADLP CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032815481 711944863 /nfs/dbraw/zinc/94/48/63/711944863.db2.gz AXLJHTREKMCLTN-RYUDHWBXSA-N 2 2 248.330 0.578 20 0 BCADLP CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032815481 711944865 /nfs/dbraw/zinc/94/48/65/711944865.db2.gz AXLJHTREKMCLTN-RYUDHWBXSA-N 2 2 248.330 0.578 20 0 BCADLP Cc1noc(CCC[N@@H+](C)C[C@H](C)[NH3+])n1 ZINC000700798959 712005620 /nfs/dbraw/zinc/00/56/20/712005620.db2.gz ZUZQUKUROSIFRV-QMMMGPOBSA-N 2 2 212.297 0.590 20 0 BCADLP Cc1noc(CCC[N@H+](C)C[C@H](C)[NH3+])n1 ZINC000700798959 712005621 /nfs/dbraw/zinc/00/56/21/712005621.db2.gz ZUZQUKUROSIFRV-QMMMGPOBSA-N 2 2 212.297 0.590 20 0 BCADLP Cc1noc(CCC[N@@H+](C)C[C@@H](C)[NH3+])n1 ZINC000700798956 712006119 /nfs/dbraw/zinc/00/61/19/712006119.db2.gz ZUZQUKUROSIFRV-MRVPVSSYSA-N 2 2 212.297 0.590 20 0 BCADLP Cc1noc(CCC[N@H+](C)C[C@@H](C)[NH3+])n1 ZINC000700798956 712006121 /nfs/dbraw/zinc/00/61/21/712006121.db2.gz ZUZQUKUROSIFRV-MRVPVSSYSA-N 2 2 212.297 0.590 20 0 BCADLP CCO[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000701674414 712026653 /nfs/dbraw/zinc/02/66/53/712026653.db2.gz UGXCRYRBDQXFIY-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CCO[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000701674414 712026656 /nfs/dbraw/zinc/02/66/56/712026656.db2.gz UGXCRYRBDQXFIY-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CCO[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000701674414 712026658 /nfs/dbraw/zinc/02/66/58/712026658.db2.gz UGXCRYRBDQXFIY-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CCO[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000701674414 712026661 /nfs/dbraw/zinc/02/66/61/712026661.db2.gz UGXCRYRBDQXFIY-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702077574 712038084 /nfs/dbraw/zinc/03/80/84/712038084.db2.gz TXSXQKRLDQCKEU-GBIKHYSHSA-N 2 2 237.347 0.195 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702077574 712038085 /nfs/dbraw/zinc/03/80/85/712038085.db2.gz TXSXQKRLDQCKEU-GBIKHYSHSA-N 2 2 237.347 0.195 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000702398598 712048417 /nfs/dbraw/zinc/04/84/17/712048417.db2.gz YVXDQQRBHZGGLW-NXEZZACHSA-N 2 2 206.293 0.836 20 0 BCADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(N)nn2)CC1 ZINC000703972886 712097272 /nfs/dbraw/zinc/09/72/72/712097272.db2.gz BCBCZTPZZHJAEQ-UHFFFAOYSA-N 2 2 249.362 0.975 20 0 BCADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(N)nn2)CC1 ZINC000703972886 712097273 /nfs/dbraw/zinc/09/72/73/712097273.db2.gz BCBCZTPZZHJAEQ-UHFFFAOYSA-N 2 2 249.362 0.975 20 0 BCADLP C[N@@H+](Cc1cnc(N)cn1)C[C@@H]1CCC[NH+](C)C1 ZINC000705158526 712123108 /nfs/dbraw/zinc/12/31/08/712123108.db2.gz JVUODDLNIOUALP-LLVKDONJSA-N 2 2 249.362 0.832 20 0 BCADLP C[N@H+](Cc1cnc(N)cn1)C[C@@H]1CCC[NH+](C)C1 ZINC000705158526 712123109 /nfs/dbraw/zinc/12/31/09/712123109.db2.gz JVUODDLNIOUALP-LLVKDONJSA-N 2 2 249.362 0.832 20 0 BCADLP C[NH+](Cc1cnc(N)cn1)C[C@@H]1CCC[N@H+](C)C1 ZINC000705158526 712123110 /nfs/dbraw/zinc/12/31/10/712123110.db2.gz JVUODDLNIOUALP-LLVKDONJSA-N 2 2 249.362 0.832 20 0 BCADLP C[NH+](Cc1cnc(N)cn1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000705158526 712123112 /nfs/dbraw/zinc/12/31/12/712123112.db2.gz JVUODDLNIOUALP-LLVKDONJSA-N 2 2 249.362 0.832 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]1C ZINC000706763302 712154408 /nfs/dbraw/zinc/15/44/08/712154408.db2.gz PPQAJDYYXIMFND-QWRGUYRKSA-N 2 2 200.326 0.782 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]1C ZINC000706763302 712154409 /nfs/dbraw/zinc/15/44/09/712154409.db2.gz PPQAJDYYXIMFND-QWRGUYRKSA-N 2 2 200.326 0.782 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]1C ZINC000706763302 712154411 /nfs/dbraw/zinc/15/44/11/712154411.db2.gz PPQAJDYYXIMFND-QWRGUYRKSA-N 2 2 200.326 0.782 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]1C ZINC000706763302 712154412 /nfs/dbraw/zinc/15/44/12/712154412.db2.gz PPQAJDYYXIMFND-QWRGUYRKSA-N 2 2 200.326 0.782 20 0 BCADLP C[NH+](C)CC1(O)CC[NH+](Cc2ncc[nH]2)CC1 ZINC000710650621 712265346 /nfs/dbraw/zinc/26/53/46/712265346.db2.gz XUVBEGUKQIOVGI-UHFFFAOYSA-N 2 2 238.335 0.298 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711338574 712294962 /nfs/dbraw/zinc/29/49/62/712294962.db2.gz IALGLXJEESPOFL-YPMHNXCESA-N 2 2 248.330 0.867 20 0 BCADLP FC[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000711445332 712300833 /nfs/dbraw/zinc/30/08/33/712300833.db2.gz TVASFMCIECXDQZ-GHMZBOCLSA-N 2 2 216.300 0.656 20 0 BCADLP FC[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000711445332 712300835 /nfs/dbraw/zinc/30/08/35/712300835.db2.gz TVASFMCIECXDQZ-GHMZBOCLSA-N 2 2 216.300 0.656 20 0 BCADLP C[N@@H+]1CCN(Cc2nccn2C2CC2)[C@H](C[NH3+])C1 ZINC000711817791 712332467 /nfs/dbraw/zinc/33/24/67/712332467.db2.gz OMUYFUVYNXDVDM-GFCCVEGCSA-N 2 2 249.362 0.293 20 0 BCADLP C[N@H+]1CCN(Cc2nccn2C2CC2)[C@H](C[NH3+])C1 ZINC000711817791 712332468 /nfs/dbraw/zinc/33/24/68/712332468.db2.gz OMUYFUVYNXDVDM-GFCCVEGCSA-N 2 2 249.362 0.293 20 0 BCADLP C[N@@H+]1CCN(Cc2nccn2C2CC2)[C@@H](C[NH3+])C1 ZINC000711817793 712332751 /nfs/dbraw/zinc/33/27/51/712332751.db2.gz OMUYFUVYNXDVDM-LBPRGKRZSA-N 2 2 249.362 0.293 20 0 BCADLP C[N@H+]1CCN(Cc2nccn2C2CC2)[C@@H](C[NH3+])C1 ZINC000711817793 712332754 /nfs/dbraw/zinc/33/27/54/712332754.db2.gz OMUYFUVYNXDVDM-LBPRGKRZSA-N 2 2 249.362 0.293 20 0 BCADLP CCN1CC[C@@H]1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000712577587 712432765 /nfs/dbraw/zinc/43/27/65/712432765.db2.gz GTYNJGOTMVJWCR-OLZOCXBDSA-N 2 2 241.379 0.125 20 0 BCADLP CCN1CC[C@@H]1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000712577587 712432766 /nfs/dbraw/zinc/43/27/66/712432766.db2.gz GTYNJGOTMVJWCR-OLZOCXBDSA-N 2 2 241.379 0.125 20 0 BCADLP C[N@H+](CC[NH3+])CCCOC(F)(F)F ZINC000713402493 712458992 /nfs/dbraw/zinc/45/89/92/712458992.db2.gz VMEMWQLNQKTSJS-UHFFFAOYSA-N 2 2 200.204 0.803 20 0 BCADLP C[N@@H+](CC[NH3+])CCCOC(F)(F)F ZINC000713402493 712458994 /nfs/dbraw/zinc/45/89/94/712458994.db2.gz VMEMWQLNQKTSJS-UHFFFAOYSA-N 2 2 200.204 0.803 20 0 BCADLP CO[C@H]1C[C@H](C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000714640436 712495390 /nfs/dbraw/zinc/49/53/90/712495390.db2.gz NZOWVVJLISPXJV-CYDGBPFRSA-N 2 2 242.363 0.768 20 0 BCADLP O=c1[nH]cccc1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000714997407 712503472 /nfs/dbraw/zinc/50/34/72/712503472.db2.gz MLZIQIWEVMZLRB-OBPIAQAESA-N 2 2 245.326 0.873 20 0 BCADLP CC1(C)OC[C@H](C[NH2+]CCn2cc[nH+]c2)O1 ZINC000715071426 712505723 /nfs/dbraw/zinc/50/57/23/712505723.db2.gz DORSJALGEIHEPO-JTQLQIEISA-N 2 2 225.292 0.624 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715884611 712539596 /nfs/dbraw/zinc/53/95/96/712539596.db2.gz OUAIYXGLKQDBBZ-UWVGGRQHSA-N 2 2 234.307 0.751 20 0 BCADLP C[C@@H](CC[NH+](C)C)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716161121 712552830 /nfs/dbraw/zinc/55/28/30/712552830.db2.gz ZWKPWFFQOPITQF-WHXUTIOJSA-N 2 2 248.392 0.492 20 0 BCADLP Cc1[nH]c(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c(C)[nH+]1 ZINC000930163217 712616043 /nfs/dbraw/zinc/61/60/43/712616043.db2.gz RFNVOGBNLFYPPS-CPCISQLKSA-N 2 2 209.293 0.839 20 0 BCADLP O=C(CC[NH2+]CC1CC1)NCCc1[nH]cc[nH+]1 ZINC000717201645 712639152 /nfs/dbraw/zinc/63/91/52/712639152.db2.gz SQRNUEMYNLSZEU-UHFFFAOYSA-N 2 2 236.319 0.458 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000380090126 712685524 /nfs/dbraw/zinc/68/55/24/712685524.db2.gz GNYTZPCIMLVORW-XQQFMLRXSA-N 3 2 241.379 0.112 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000380090126 712685526 /nfs/dbraw/zinc/68/55/26/712685526.db2.gz GNYTZPCIMLVORW-XQQFMLRXSA-N 3 2 241.379 0.112 20 0 BCADLP C[NH2+]CC[N@H+](CCC(=O)N(C)C)C(C)C ZINC000720776259 712865632 /nfs/dbraw/zinc/86/56/32/712865632.db2.gz VYPQDPLDLVVKPD-UHFFFAOYSA-N 2 2 215.341 0.395 20 0 BCADLP C[NH2+]CC[N@@H+](CCC(=O)N(C)C)C(C)C ZINC000720776259 712865634 /nfs/dbraw/zinc/86/56/34/712865634.db2.gz VYPQDPLDLVVKPD-UHFFFAOYSA-N 2 2 215.341 0.395 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CC(=O)NC1CC1 ZINC000721039322 712887759 /nfs/dbraw/zinc/88/77/59/712887759.db2.gz GICKWXWEFPTFAC-ZJUUUORDSA-N 2 2 225.336 0.052 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CC(=O)NC1CC1 ZINC000721039322 712887761 /nfs/dbraw/zinc/88/77/61/712887761.db2.gz GICKWXWEFPTFAC-ZJUUUORDSA-N 2 2 225.336 0.052 20 0 BCADLP CC[C@H]1C(=O)NCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000721063664 712889628 /nfs/dbraw/zinc/88/96/28/712889628.db2.gz NZOIOIPALXWWKQ-VWYCJHECSA-N 2 2 225.336 0.052 20 0 BCADLP CC[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000721063664 712889630 /nfs/dbraw/zinc/88/96/30/712889630.db2.gz NZOIOIPALXWWKQ-VWYCJHECSA-N 2 2 225.336 0.052 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]Cc1ccncc1C ZINC000295535802 398135367 /nfs/dbraw/zinc/13/53/67/398135367.db2.gz XAHMGFHFGVOTAN-UHFFFAOYSA-N 2 2 237.347 0.794 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccncc1C ZINC000295535802 398135373 /nfs/dbraw/zinc/13/53/73/398135373.db2.gz XAHMGFHFGVOTAN-UHFFFAOYSA-N 2 2 237.347 0.794 20 0 BCADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NC1CC1 ZINC000605421223 343976730 /nfs/dbraw/zinc/97/67/30/343976730.db2.gz RQGDUFTWVVECEE-UHFFFAOYSA-N 2 2 248.330 0.868 20 0 BCADLP C[C@H]1CC[N@H+](CCn2cc[nH+]c2)C[C@@H]1O ZINC000093344719 343977188 /nfs/dbraw/zinc/97/71/88/343977188.db2.gz TWQKIGGHFHTAIK-QWRGUYRKSA-N 2 2 209.293 0.586 20 0 BCADLP C[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C[C@@H]1O ZINC000093344719 343977190 /nfs/dbraw/zinc/97/71/90/343977190.db2.gz TWQKIGGHFHTAIK-QWRGUYRKSA-N 2 2 209.293 0.586 20 0 BCADLP CCO[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000380055812 488169599 /nfs/dbraw/zinc/16/95/99/488169599.db2.gz WRXSEMCSTMOHDJ-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP CCO[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000380055812 488169603 /nfs/dbraw/zinc/16/96/03/488169603.db2.gz WRXSEMCSTMOHDJ-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C1 ZINC000378699684 346810735 /nfs/dbraw/zinc/81/07/35/346810735.db2.gz MSDBJWGFSYCCNF-YVECIDJPSA-N 2 2 224.348 0.853 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C1 ZINC000378699684 346810741 /nfs/dbraw/zinc/81/07/41/346810741.db2.gz MSDBJWGFSYCCNF-YVECIDJPSA-N 2 2 224.348 0.853 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCc2ncn(C)n2)C[N@@H+]1C1CC1 ZINC000161719405 349489468 /nfs/dbraw/zinc/48/94/68/349489468.db2.gz BUDCRESREKXDMS-WDEREUQCSA-N 2 2 249.362 0.572 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCc2ncn(C)n2)C[N@H+]1C1CC1 ZINC000161719405 349489472 /nfs/dbraw/zinc/48/94/72/349489472.db2.gz BUDCRESREKXDMS-WDEREUQCSA-N 2 2 249.362 0.572 20 0 BCADLP C[NH2+]Cc1noc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000258117818 349493209 /nfs/dbraw/zinc/49/32/09/349493209.db2.gz TXAOOAYGVXMYKE-QMMMGPOBSA-N 2 2 210.281 0.331 20 0 BCADLP CS(=O)(=O)CCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000063015258 349503552 /nfs/dbraw/zinc/50/35/52/349503552.db2.gz LMNICSYZTCOFAQ-SNVBAGLBSA-N 2 2 234.365 0.092 20 0 BCADLP CS(=O)(=O)CCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000063015258 349503554 /nfs/dbraw/zinc/50/35/54/349503554.db2.gz LMNICSYZTCOFAQ-SNVBAGLBSA-N 2 2 234.365 0.092 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)C(C)C ZINC000380100818 398185955 /nfs/dbraw/zinc/18/59/55/398185955.db2.gz XGRAUVCIQQINJI-QWHCGFSZSA-N 2 2 246.395 0.902 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)C(C)C ZINC000380100818 398185963 /nfs/dbraw/zinc/18/59/63/398185963.db2.gz XGRAUVCIQQINJI-QWHCGFSZSA-N 2 2 246.395 0.902 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(C)C ZINC000380100818 398185966 /nfs/dbraw/zinc/18/59/66/398185966.db2.gz XGRAUVCIQQINJI-QWHCGFSZSA-N 2 2 246.395 0.902 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(C)C ZINC000380100818 398185967 /nfs/dbraw/zinc/18/59/67/398185967.db2.gz XGRAUVCIQQINJI-QWHCGFSZSA-N 2 2 246.395 0.902 20 0 BCADLP CC[C@@H](CO)[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000072797911 398187091 /nfs/dbraw/zinc/18/70/91/398187091.db2.gz FSPVZZLZZWDNDS-NSHDSACASA-N 2 2 238.335 0.298 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCCO1 ZINC000381109783 398189180 /nfs/dbraw/zinc/18/91/80/398189180.db2.gz ZQICARFAXWTTJG-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCCO1 ZINC000381109783 398189182 /nfs/dbraw/zinc/18/91/82/398189182.db2.gz ZQICARFAXWTTJG-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H]1CCCO1 ZINC000381109783 398189184 /nfs/dbraw/zinc/18/91/84/398189184.db2.gz ZQICARFAXWTTJG-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H]1CCCO1 ZINC000381109783 398189188 /nfs/dbraw/zinc/18/91/88/398189188.db2.gz ZQICARFAXWTTJG-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)CCC(C)(C)[NH3+] ZINC000380215359 398191209 /nfs/dbraw/zinc/19/12/09/398191209.db2.gz JOMDXTVDEALWQI-UHFFFAOYSA-N 2 2 224.308 0.852 20 0 BCADLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCOCC2CC2)CCO1 ZINC000647864719 398217402 /nfs/dbraw/zinc/21/74/02/398217402.db2.gz ZQVLTNWXEQFEHN-ZYHUDNBSSA-N 2 2 228.336 0.461 20 0 BCADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCOCC2CC2)CCO1 ZINC000647864719 398217406 /nfs/dbraw/zinc/21/74/06/398217406.db2.gz ZQVLTNWXEQFEHN-ZYHUDNBSSA-N 2 2 228.336 0.461 20 0 BCADLP CCn1cc(C[N@H+](C)C[C@@H]2CC[NH2+]C2)cn1 ZINC000649413543 398211869 /nfs/dbraw/zinc/21/18/69/398211869.db2.gz HMAQSYUZJKDVTE-LLVKDONJSA-N 2 2 222.336 0.944 20 0 BCADLP CCn1cc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)cn1 ZINC000649413543 398211872 /nfs/dbraw/zinc/21/18/72/398211872.db2.gz HMAQSYUZJKDVTE-LLVKDONJSA-N 2 2 222.336 0.944 20 0 BCADLP c1cnn(CC[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000649419368 398220623 /nfs/dbraw/zinc/22/06/23/398220623.db2.gz MYUPURGDHOSUEF-NEPJUHHUSA-N 2 2 220.320 0.567 20 0 BCADLP c1cnn(CC[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000649419368 398220627 /nfs/dbraw/zinc/22/06/27/398220627.db2.gz MYUPURGDHOSUEF-NEPJUHHUSA-N 2 2 220.320 0.567 20 0 BCADLP C(C[NH+]1CCOCC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000649419286 398220823 /nfs/dbraw/zinc/22/08/23/398220823.db2.gz KVWNODAVILRBIU-STQMWFEESA-N 2 2 239.363 0.002 20 0 BCADLP O=C(CC[N@H+]1CCC(F)(F)C1)N1CC[NH2+]CC1 ZINC000313415498 398229578 /nfs/dbraw/zinc/22/95/78/398229578.db2.gz YAYFFGNJHGWRKK-UHFFFAOYSA-N 2 2 247.289 0.149 20 0 BCADLP O=C(CC[N@@H+]1CCC(F)(F)C1)N1CC[NH2+]CC1 ZINC000313415498 398229582 /nfs/dbraw/zinc/22/95/82/398229582.db2.gz YAYFFGNJHGWRKK-UHFFFAOYSA-N 2 2 247.289 0.149 20 0 BCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N(C)CC1CC1 ZINC000430572385 398228747 /nfs/dbraw/zinc/22/87/47/398228747.db2.gz JUVCITHYZFBRBU-CYBMUJFWSA-N 2 2 241.379 0.818 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](OC)C1 ZINC000381178491 398233017 /nfs/dbraw/zinc/23/30/17/398233017.db2.gz VQYCHVIRTCJLSH-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](OC)C1 ZINC000381178491 398233018 /nfs/dbraw/zinc/23/30/18/398233018.db2.gz VQYCHVIRTCJLSH-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](OC)C1 ZINC000381178491 398233020 /nfs/dbraw/zinc/23/30/20/398233020.db2.gz VQYCHVIRTCJLSH-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](OC)C1 ZINC000381178491 398233021 /nfs/dbraw/zinc/23/30/21/398233021.db2.gz VQYCHVIRTCJLSH-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCc1ccnn1C ZINC000379816314 398238550 /nfs/dbraw/zinc/23/85/50/398238550.db2.gz RNMDUIOHFOPDIF-ONGXEEELSA-N 2 2 208.309 0.384 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCc1ccnn1C ZINC000379816314 398238554 /nfs/dbraw/zinc/23/85/54/398238554.db2.gz RNMDUIOHFOPDIF-ONGXEEELSA-N 2 2 208.309 0.384 20 0 BCADLP C[NH+](C)C1CC([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000576478994 365607240 /nfs/dbraw/zinc/60/72/40/365607240.db2.gz JPWVIBZCLJWYOG-UHFFFAOYSA-N 2 2 247.342 0.968 20 0 BCADLP C[C@@]([NH2+]C[C@@H]1CC[NH2+]C1)(C(N)=O)c1ccccc1 ZINC000647992054 398243719 /nfs/dbraw/zinc/24/37/19/398243719.db2.gz ZMBSHULVIKYZTL-RISCZKNCSA-N 2 2 247.342 0.586 20 0 BCADLP CC1(C)CCC[NH2+][C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000232938304 136230057 /nfs/dbraw/zinc/23/00/57/136230057.db2.gz AWXIVNZNBWZAPR-JTQLQIEISA-N 2 2 236.319 0.804 20 0 BCADLP CC1(C)CCC[NH2+][C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000232938304 136230058 /nfs/dbraw/zinc/23/00/58/136230058.db2.gz AWXIVNZNBWZAPR-JTQLQIEISA-N 2 2 236.319 0.804 20 0 BCADLP C[NH2+][C@H](C)c1cn(CCCn2cc[nH+]c2)nn1 ZINC000383405090 398257910 /nfs/dbraw/zinc/25/79/10/398257910.db2.gz QYBVDINYLPQVHX-SNVBAGLBSA-N 2 2 234.307 0.845 20 0 BCADLP C[N@@H+]1CCN(C(=O)C2CC(F)(F)C2)[C@H](C[NH3+])C1 ZINC000383529541 398258049 /nfs/dbraw/zinc/25/80/49/398258049.db2.gz YMNVYIQZZGCYMV-SECBINFHSA-N 2 2 247.289 0.133 20 0 BCADLP C[N@H+]1CCN(C(=O)C2CC(F)(F)C2)[C@H](C[NH3+])C1 ZINC000383529541 398258051 /nfs/dbraw/zinc/25/80/51/398258051.db2.gz YMNVYIQZZGCYMV-SECBINFHSA-N 2 2 247.289 0.133 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)C12CCC[NH+]1CCC2 ZINC000291152960 538947288 /nfs/dbraw/zinc/94/72/88/538947288.db2.gz HCRNIHZHYZFCOQ-UHFFFAOYSA-N 2 2 248.330 0.665 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]C(C)(C)CCO)n1C ZINC000142053489 398255763 /nfs/dbraw/zinc/25/57/63/398255763.db2.gz DIWRALLBYKKPLU-UHFFFAOYSA-N 2 2 240.351 0.737 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000386023217 398263111 /nfs/dbraw/zinc/26/31/11/398263111.db2.gz WANNTBHEKATOMB-GRYCIOLGSA-N 2 2 239.363 0.395 20 0 BCADLP NC(=O)C1([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000576763266 365681129 /nfs/dbraw/zinc/68/11/29/365681129.db2.gz WRRZQVUHAYMWKT-UHFFFAOYSA-N 2 2 237.347 0.468 20 0 BCADLP COC(=O)c1cc(C[NH2+]CCC[NH+](C)C)on1 ZINC000602502415 349561966 /nfs/dbraw/zinc/56/19/66/349561966.db2.gz GOKXJVSQJNBGLZ-UHFFFAOYSA-N 2 2 241.291 0.503 20 0 BCADLP C[C@H](C[NH2+][C@@H]1CO[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000647184999 398267235 /nfs/dbraw/zinc/26/72/35/398267235.db2.gz LLXCHYRNGXYYFI-AGIUHOORSA-N 2 2 242.363 0.722 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1O 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BCADLP CC(C)C[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000037264849 538962190 /nfs/dbraw/zinc/96/21/90/538962190.db2.gz FODFTVWWYWUDMU-LBPRGKRZSA-N 2 2 241.379 0.785 20 0 BCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493845740 529384697 /nfs/dbraw/zinc/38/46/97/529384697.db2.gz DGCSOZOFOSEHPO-SGUJLRQBSA-N 2 2 248.330 0.976 20 0 BCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493845740 529384700 /nfs/dbraw/zinc/38/47/00/529384700.db2.gz DGCSOZOFOSEHPO-SGUJLRQBSA-N 2 2 248.330 0.976 20 0 BCADLP C[N@H+](Cc1cn2cccnc2n1)C1CC[NH2+]CC1 ZINC000036300286 342808808 /nfs/dbraw/zinc/80/88/08/342808808.db2.gz QJUPFIPULIIUJA-UHFFFAOYSA-N 2 2 245.330 0.913 20 0 BCADLP C[N@@H+](Cc1cn2cccnc2n1)C1CC[NH2+]CC1 ZINC000036300286 342808809 /nfs/dbraw/zinc/80/88/09/342808809.db2.gz QJUPFIPULIIUJA-UHFFFAOYSA-N 2 2 245.330 0.913 20 0 BCADLP CN1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000040671730 538972211 /nfs/dbraw/zinc/97/22/11/538972211.db2.gz ZPJGYCCPEXTOAO-GFCCVEGCSA-N 2 2 211.353 0.764 20 0 BCADLP O[C@H]1CC[N@H+](CCNc2cc[nH+]cc2Cl)C1 ZINC000624774895 342827499 /nfs/dbraw/zinc/82/74/99/342827499.db2.gz STQKKSAVXYGWLN-VIFPVBQESA-N 2 2 241.722 0.635 20 0 BCADLP O[C@H]1CC[N@@H+](CCNc2cc[nH+]cc2Cl)C1 ZINC000624774895 342827501 /nfs/dbraw/zinc/82/75/01/342827501.db2.gz STQKKSAVXYGWLN-VIFPVBQESA-N 2 2 241.722 0.635 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCCn2cncn2)C[N@@H+]1C1CC1 ZINC000381882500 539007485 /nfs/dbraw/zinc/00/74/85/539007485.db2.gz HZPWSALYLTYDFP-NWDGAFQWSA-N 2 2 249.362 0.883 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCCn2cncn2)C[N@H+]1C1CC1 ZINC000381882500 539007486 /nfs/dbraw/zinc/00/74/86/539007486.db2.gz HZPWSALYLTYDFP-NWDGAFQWSA-N 2 2 249.362 0.883 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCn1cncn1 ZINC000390460767 539022027 /nfs/dbraw/zinc/02/20/27/539022027.db2.gz FRIYINBEKWEMSA-WDEREUQCSA-N 2 2 223.324 0.208 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCn1cncn1 ZINC000390460767 539022028 /nfs/dbraw/zinc/02/20/28/539022028.db2.gz FRIYINBEKWEMSA-WDEREUQCSA-N 2 2 223.324 0.208 20 0 BCADLP c1c[nH+]c(Cn2cc(C[NH+]3CCCC3)nn2)[nH]1 ZINC000640753988 361992199 /nfs/dbraw/zinc/99/21/99/361992199.db2.gz GUQZVFBOVMTSNX-UHFFFAOYSA-N 2 2 232.291 0.645 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000380229865 346868812 /nfs/dbraw/zinc/86/88/12/346868812.db2.gz QGJCATWRXKVUDO-APPZFPTMSA-N 2 2 222.292 0.332 20 0 BCADLP Cn1nccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000036901348 342912854 /nfs/dbraw/zinc/91/28/54/342912854.db2.gz HGPPYTJZRFCPKU-UHFFFAOYSA-N 2 2 208.309 0.604 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000380231776 346883349 /nfs/dbraw/zinc/88/33/49/346883349.db2.gz REGHEZHHEHGQAL-NKWVEPMBSA-N 2 2 210.281 0.318 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1CC(C2CC2)C1)C1CC1 ZINC000642924420 398336750 /nfs/dbraw/zinc/33/67/50/398336750.db2.gz OLVNRUNEFKFMLF-ZDUSSCGKSA-N 2 2 224.348 0.783 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+]1CC(C2CC2)C1)C1CC1 ZINC000642924420 398336751 /nfs/dbraw/zinc/33/67/51/398336751.db2.gz OLVNRUNEFKFMLF-ZDUSSCGKSA-N 2 2 224.348 0.783 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc(O)c2)CCCO1 ZINC000313341790 259333595 /nfs/dbraw/zinc/33/35/95/259333595.db2.gz BBRGBWLONFOKSN-ZDUSSCGKSA-N 2 2 236.315 0.942 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(O)c2)CCCO1 ZINC000313341790 259333596 /nfs/dbraw/zinc/33/35/96/259333596.db2.gz BBRGBWLONFOKSN-ZDUSSCGKSA-N 2 2 236.315 0.942 20 0 BCADLP CC[C@@H](CO)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000309066981 529515391 /nfs/dbraw/zinc/51/53/91/529515391.db2.gz ZZXFHHUQKVPMRW-NHCYSSNCSA-N 2 2 212.337 0.830 20 0 BCADLP CC[C@@H](CO)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000309066981 529515394 /nfs/dbraw/zinc/51/53/94/529515394.db2.gz ZZXFHHUQKVPMRW-NHCYSSNCSA-N 2 2 212.337 0.830 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCO[C@H](C)C1 ZINC000381149921 344019143 /nfs/dbraw/zinc/01/91/43/344019143.db2.gz OSWLWUXVTJLJCQ-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCO[C@H](C)C1 ZINC000381149921 344019145 /nfs/dbraw/zinc/01/91/45/344019145.db2.gz OSWLWUXVTJLJCQ-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCO[C@H](C)C1 ZINC000381149921 344019148 /nfs/dbraw/zinc/01/91/48/344019148.db2.gz OSWLWUXVTJLJCQ-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCO[C@H](C)C1 ZINC000381149921 344019150 /nfs/dbraw/zinc/01/91/50/344019150.db2.gz OSWLWUXVTJLJCQ-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@H]1CCC[NH2+]1 ZINC000493411462 529553589 /nfs/dbraw/zinc/55/35/89/529553589.db2.gz BBPFPBRZWDGYDP-MVIFTORASA-N 2 2 248.330 0.784 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2ccncc2)C1 ZINC000351856987 136258209 /nfs/dbraw/zinc/25/82/09/136258209.db2.gz AIEPKLYKDATBMW-GHMZBOCLSA-N 2 2 248.330 0.111 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2ccncc2)C1 ZINC000351856987 136258210 /nfs/dbraw/zinc/25/82/10/136258210.db2.gz AIEPKLYKDATBMW-GHMZBOCLSA-N 2 2 248.330 0.111 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[NH2+]CC1 ZINC000493054895 529557888 /nfs/dbraw/zinc/55/78/88/529557888.db2.gz SCJDERBSOOJRRD-ARJAWSKDSA-N 2 2 234.303 0.348 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)NC[C@H]([NH3+])C1CC1 ZINC000493086547 529559645 /nfs/dbraw/zinc/55/96/45/529559645.db2.gz QYSOIPHHKSPBJB-GZTOBOFZSA-N 2 2 248.330 0.770 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N[C@H](C)C[NH3+] ZINC000493287656 529560251 /nfs/dbraw/zinc/56/02/51/529560251.db2.gz CJQRGZYBYOEADD-XRVBUDJMSA-N 2 2 222.292 0.380 20 0 BCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](C)(F)C2)CC1 ZINC000335901147 136259082 /nfs/dbraw/zinc/25/90/82/136259082.db2.gz NJKDVDVCNCDXIP-GFCCVEGCSA-N 2 2 243.326 0.194 20 0 BCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@](C)(F)C2)CC1 ZINC000335901147 136259083 /nfs/dbraw/zinc/25/90/83/136259083.db2.gz NJKDVDVCNCDXIP-GFCCVEGCSA-N 2 2 243.326 0.194 20 0 BCADLP COC(=O)[C@@H](C)[N@H+](C)CCc1c[nH+]cn1C ZINC000602821609 349762431 /nfs/dbraw/zinc/76/24/31/349762431.db2.gz PIFRZYWLCIMDCH-SECBINFHSA-N 2 2 225.292 0.456 20 0 BCADLP COC(=O)[C@@H](C)[N@@H+](C)CCc1c[nH+]cn1C ZINC000602821609 349762434 /nfs/dbraw/zinc/76/24/34/349762434.db2.gz PIFRZYWLCIMDCH-SECBINFHSA-N 2 2 225.292 0.456 20 0 BCADLP CC[C@@H]([NH2+]C1CN(C(=O)OC)C1)[C@@H]1CCC[NH2+]1 ZINC000496904066 529682445 /nfs/dbraw/zinc/68/24/45/529682445.db2.gz ULWBJLBDQZVWLJ-MNOVXSKESA-N 2 2 241.335 0.557 20 0 BCADLP Cn1cnc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000236140275 343079766 /nfs/dbraw/zinc/07/97/66/343079766.db2.gz HZRLVFCBYVIFDQ-BDAKNGLRSA-N 2 2 209.297 0.175 20 0 BCADLP CC[C@@H]1C[N@H+](C)CCN1CC[NH+]1CCOCC1 ZINC000576868443 365708817 /nfs/dbraw/zinc/70/88/17/365708817.db2.gz ZXTDCQWYQXOELZ-CYBMUJFWSA-N 2 2 241.379 0.345 20 0 BCADLP CC[C@@H]1C[N@@H+](C)CCN1CC[NH+]1CCOCC1 ZINC000576868443 365708823 /nfs/dbraw/zinc/70/88/23/365708823.db2.gz ZXTDCQWYQXOELZ-CYBMUJFWSA-N 2 2 241.379 0.345 20 0 BCADLP Cn1cc[nH+]c1Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000640952081 362097068 /nfs/dbraw/zinc/09/70/68/362097068.db2.gz DKLFARWZLAJLAD-SNVBAGLBSA-N 2 2 246.318 0.212 20 0 BCADLP C[NH+]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000170040113 136270171 /nfs/dbraw/zinc/27/01/71/136270171.db2.gz YXCZFOJICNLSQR-NSHDSACASA-N 2 2 248.330 0.220 20 0 BCADLP CC[C@@H](C(N)=O)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000130242135 343180982 /nfs/dbraw/zinc/18/09/82/343180982.db2.gz JAMDDNJUICLHIV-LBPRGKRZSA-N 2 2 239.363 0.714 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+]CC1(O)CCCC1 ZINC000130555528 343181301 /nfs/dbraw/zinc/18/13/01/343181301.db2.gz LTOZWELJLXNCOJ-JTQLQIEISA-N 2 2 200.326 0.831 20 0 BCADLP C[N@@H+]1CCN(C(=O)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000122558565 343160295 /nfs/dbraw/zinc/16/02/95/343160295.db2.gz DOZPRLWKBBQRIC-CYBMUJFWSA-N 2 2 247.342 0.330 20 0 BCADLP C[N@H+]1CCN(C(=O)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000122558565 343160298 /nfs/dbraw/zinc/16/02/98/343160298.db2.gz DOZPRLWKBBQRIC-CYBMUJFWSA-N 2 2 247.342 0.330 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000133614534 343185388 /nfs/dbraw/zinc/18/53/88/343185388.db2.gz LMMMNFOYMLJAEN-DCAQKATOSA-N 2 2 227.352 0.713 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000133614534 343185390 /nfs/dbraw/zinc/18/53/90/343185390.db2.gz LMMMNFOYMLJAEN-DCAQKATOSA-N 2 2 227.352 0.713 20 0 BCADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccn(C)n1 ZINC000124001689 343166558 /nfs/dbraw/zinc/16/65/58/343166558.db2.gz FDBMRAMCBHPOLK-UWVGGRQHSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccn(C)n1 ZINC000124001689 343166561 /nfs/dbraw/zinc/16/65/61/343166561.db2.gz FDBMRAMCBHPOLK-UWVGGRQHSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@@H]1C[N@H+](Cc2ccn(C)n2)CC[C@@H]1[NH3+] ZINC000123995236 343166692 /nfs/dbraw/zinc/16/66/92/343166692.db2.gz FDSRKQXIDPMKRB-KOLCDFICSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@@H]1[NH3+] ZINC000123995236 343166693 /nfs/dbraw/zinc/16/66/93/343166693.db2.gz FDSRKQXIDPMKRB-KOLCDFICSA-N 2 2 208.309 0.589 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC000123982361 343166743 /nfs/dbraw/zinc/16/67/43/343166743.db2.gz XQOKJHZSSQFLRJ-JTQLQIEISA-N 2 2 208.309 0.461 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC000123982361 343166744 /nfs/dbraw/zinc/16/67/44/343166744.db2.gz XQOKJHZSSQFLRJ-JTQLQIEISA-N 2 2 208.309 0.461 20 0 BCADLP C[N@@H+]1CCN(Cc2cccc(F)c2)[C@H](C[NH3+])C1 ZINC000125834032 343167970 /nfs/dbraw/zinc/16/79/70/343167970.db2.gz ZWIWOYOLLHTMMQ-CYBMUJFWSA-N 2 2 237.322 0.900 20 0 BCADLP C[N@H+]1CCN(Cc2cccc(F)c2)[C@H](C[NH3+])C1 ZINC000125834032 343167971 /nfs/dbraw/zinc/16/79/71/343167971.db2.gz ZWIWOYOLLHTMMQ-CYBMUJFWSA-N 2 2 237.322 0.900 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000133606395 343185627 /nfs/dbraw/zinc/18/56/27/343185627.db2.gz ZLJWCHNZWKWZSH-MNOVXSKESA-N 2 2 227.352 0.570 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000133606395 343185629 /nfs/dbraw/zinc/18/56/29/343185629.db2.gz ZLJWCHNZWKWZSH-MNOVXSKESA-N 2 2 227.352 0.570 20 0 BCADLP CC[NH+](CC)CCNc1nc[nH+]c(N)c1OC ZINC000134812667 343195584 /nfs/dbraw/zinc/19/55/84/343195584.db2.gz HTVGRCSXZKRPSB-UHFFFAOYSA-N 2 2 239.323 0.821 20 0 BCADLP [NH3+]C1(CC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000398066683 488206875 /nfs/dbraw/zinc/20/68/75/488206875.db2.gz DNFXZNLEMZPDNP-UHFFFAOYSA-N 2 2 236.319 0.661 20 0 BCADLP C[N@@H+]1CCN(C(=O)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000158238984 343200731 /nfs/dbraw/zinc/20/07/31/343200731.db2.gz MFBXDYROTPPGAR-LBPRGKRZSA-N 2 2 233.315 0.402 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC000133602400 343191170 /nfs/dbraw/zinc/19/11/70/343191170.db2.gz YHGDNDXDQWRXFC-NXEZZACHSA-N 2 2 225.336 0.419 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N(C)C1CC1 ZINC000133602400 343191173 /nfs/dbraw/zinc/19/11/73/343191173.db2.gz YHGDNDXDQWRXFC-NXEZZACHSA-N 2 2 225.336 0.419 20 0 BCADLP CC1(C)C[C@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)CCO1 ZINC000634687072 343235611 /nfs/dbraw/zinc/23/56/11/343235611.db2.gz XPXOPZRSQHTPNH-NEPJUHHUSA-N 2 2 242.363 0.600 20 0 BCADLP CC1(C)C[C@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)CCO1 ZINC000634687072 343235613 /nfs/dbraw/zinc/23/56/13/343235613.db2.gz XPXOPZRSQHTPNH-NEPJUHHUSA-N 2 2 242.363 0.600 20 0 BCADLP CCOC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000043802500 488208715 /nfs/dbraw/zinc/20/87/15/488208715.db2.gz RZYUNCCKZNSUOE-GFCCVEGCSA-N 2 2 228.336 0.476 20 0 BCADLP C[NH+](C)CCC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000068939461 343253363 /nfs/dbraw/zinc/25/33/63/343253363.db2.gz LHAVGVWBSPGNLN-SNVBAGLBSA-N 2 2 234.365 0.105 20 0 BCADLP CCO[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000043802910 488210104 /nfs/dbraw/zinc/21/01/04/488210104.db2.gz VJYRSVBADVJKNG-RYUDHWBXSA-N 2 2 228.336 0.476 20 0 BCADLP CC(C)[C@@H]([NH3+])c1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641035734 362147699 /nfs/dbraw/zinc/14/76/99/362147699.db2.gz XOZMBPZIEAXGEL-SNVBAGLBSA-N 2 2 220.280 0.705 20 0 BCADLP C[NH+](C)CCc1cn(CCCn2cc[nH+]c2)nn1 ZINC000641054974 362166616 /nfs/dbraw/zinc/16/66/16/362166616.db2.gz KRDOLGDIVVPBGY-UHFFFAOYSA-N 2 2 248.334 0.669 20 0 BCADLP C[C@@H]([NH3+])CCC(=O)NCCn1cc[nH+]c1 ZINC000069839864 343292865 /nfs/dbraw/zinc/29/28/65/343292865.db2.gz ROZCSQVLUUHPGM-SECBINFHSA-N 2 2 210.281 0.127 20 0 BCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CCC[NH2+]C1 ZINC000036287133 343314532 /nfs/dbraw/zinc/31/45/32/343314532.db2.gz JAINAHASNGCHET-JTQLQIEISA-N 2 2 222.292 0.141 20 0 BCADLP CC[NH+]1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000038098101 343371251 /nfs/dbraw/zinc/37/12/51/343371251.db2.gz UYLPGQCHPYNUAZ-UHFFFAOYSA-N 2 2 222.336 0.994 20 0 BCADLP O=C1C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)CN1C1CC1 ZINC000335648874 136304654 /nfs/dbraw/zinc/30/46/54/136304654.db2.gz IAPWKYYWQRABCC-ZJUUUORDSA-N 2 2 223.320 0.091 20 0 BCADLP CC(C)(C)[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000041051009 343414312 /nfs/dbraw/zinc/41/43/12/343414312.db2.gz GMVBIONEPDHOSK-SECBINFHSA-N 2 2 224.308 0.373 20 0 BCADLP OCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000177720362 346936825 /nfs/dbraw/zinc/93/68/25/346936825.db2.gz VEVRDAFQDCUDCF-GFCCVEGCSA-N 2 2 228.336 0.023 20 0 BCADLP OCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000177720362 346936828 /nfs/dbraw/zinc/93/68/28/346936828.db2.gz VEVRDAFQDCUDCF-GFCCVEGCSA-N 2 2 228.336 0.023 20 0 BCADLP C[NH2+][C@@H](C)c1cn(Cc2[nH]c(C)c(C)[nH+]2)nn1 ZINC000641156765 362241900 /nfs/dbraw/zinc/24/19/00/362241900.db2.gz WCAOJAMEIHLIJR-VIFPVBQESA-N 2 2 234.307 0.947 20 0 BCADLP CC[NH2+]Cc1cn(Cc2[nH]c(C)c(C)[nH+]2)nn1 ZINC000641155830 362243251 /nfs/dbraw/zinc/24/32/51/362243251.db2.gz GVLOFLTYAXCQPZ-UHFFFAOYSA-N 2 2 234.307 0.776 20 0 BCADLP Cc1ccc(Cn2cc(CC[NH3+])nn2)c(C)[nH+]1 ZINC000641095145 362222275 /nfs/dbraw/zinc/22/22/75/362222275.db2.gz GMMPXBOACWOAQC-UHFFFAOYSA-N 2 2 231.303 0.839 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@](C)(F)C1)C1CC1 ZINC000351575252 136369142 /nfs/dbraw/zinc/36/91/42/136369142.db2.gz SEPNPKOEDXOTEU-RYUDHWBXSA-N 2 2 230.327 0.875 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@](C)(F)C1)C1CC1 ZINC000351575252 136369143 /nfs/dbraw/zinc/36/91/43/136369143.db2.gz SEPNPKOEDXOTEU-RYUDHWBXSA-N 2 2 230.327 0.875 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@](C)(F)C1)C1CC1 ZINC000351575252 136369144 /nfs/dbraw/zinc/36/91/44/136369144.db2.gz SEPNPKOEDXOTEU-RYUDHWBXSA-N 2 2 230.327 0.875 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@](C)(F)C1)C1CC1 ZINC000351575252 136369145 /nfs/dbraw/zinc/36/91/45/136369145.db2.gz SEPNPKOEDXOTEU-RYUDHWBXSA-N 2 2 230.327 0.875 20 0 BCADLP c1cn(CCn2cc(C[NH+]3CCCC3)nn2)c[nH+]1 ZINC000641123405 362231377 /nfs/dbraw/zinc/23/13/77/362231377.db2.gz IYXUWRIFUCXEKQ-UHFFFAOYSA-N 2 2 246.318 0.771 20 0 BCADLP C[NH2+]C(C)(C)c1cn(CCn2cc[nH+]c2)nn1 ZINC000641122861 362231491 /nfs/dbraw/zinc/23/14/91/362231491.db2.gz CELAYGGPRVXXDT-UHFFFAOYSA-N 2 2 234.307 0.629 20 0 BCADLP C[C@H]1CN(Cc2[nH+]ccn2C)[C@@H](C)C[NH2+]1 ZINC000083086104 343476148 /nfs/dbraw/zinc/47/61/48/343476148.db2.gz UCVGIEWVGFEIOU-UWVGGRQHSA-N 2 2 208.309 0.602 20 0 BCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1[nH]c[nH+]c1C ZINC000379974842 365772658 /nfs/dbraw/zinc/77/26/58/365772658.db2.gz QASNIXBNGBQWRE-OIBJUYFYSA-N 2 2 224.308 0.708 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C1(C[NH3+])CCCC1 ZINC000379978027 365776463 /nfs/dbraw/zinc/77/64/63/365776463.db2.gz UDDSJFFODAEOGO-UHFFFAOYSA-N 2 2 236.319 0.853 20 0 BCADLP CC(=O)N1CCC[N@H+](CCC[NH2+]C2CC2)CC1 ZINC000042681339 187266350 /nfs/dbraw/zinc/26/63/50/187266350.db2.gz QZDODWQEMXRBCZ-UHFFFAOYSA-N 2 2 239.363 0.683 20 0 BCADLP CC(=O)N1CCC[N@@H+](CCC[NH2+]C2CC2)CC1 ZINC000042681339 187266352 /nfs/dbraw/zinc/26/63/52/187266352.db2.gz QZDODWQEMXRBCZ-UHFFFAOYSA-N 2 2 239.363 0.683 20 0 BCADLP CC[C@@H]([NH3+])C(=O)N(C)CCCn1cc[nH+]c1 ZINC000152891862 343611276 /nfs/dbraw/zinc/61/12/76/343611276.db2.gz YMRSPOXMMPBIOH-SNVBAGLBSA-N 2 2 224.308 0.469 20 0 BCADLP COC[C@H]([NH3+])C(=O)Nc1cc[nH+]c(C)c1 ZINC000088004941 343688452 /nfs/dbraw/zinc/68/84/52/343688452.db2.gz SJLHRMNKJZNSPG-VIFPVBQESA-N 2 2 209.249 0.302 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCN2CC[C@H](O)C2)CC[N@@H+]1C ZINC000624335554 343717631 /nfs/dbraw/zinc/71/76/31/343717631.db2.gz VDJHLJIOBJBOQB-AVGNSLFASA-N 2 2 241.379 0.125 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCN2CC[C@H](O)C2)CC[N@H+]1C ZINC000624335554 343717634 /nfs/dbraw/zinc/71/76/34/343717634.db2.gz VDJHLJIOBJBOQB-AVGNSLFASA-N 2 2 241.379 0.125 20 0 BCADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)[C@H]1CCOC1 ZINC000624335611 343718346 /nfs/dbraw/zinc/71/83/46/343718346.db2.gz WGELKLYGHXEOJL-WOPDTQHZSA-N 2 2 228.336 0.068 20 0 BCADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)[C@H]1CCOC1 ZINC000624335611 343718347 /nfs/dbraw/zinc/71/83/47/343718347.db2.gz WGELKLYGHXEOJL-WOPDTQHZSA-N 2 2 228.336 0.068 20 0 BCADLP Cc1n[nH]cc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000051187956 346981050 /nfs/dbraw/zinc/98/10/50/346981050.db2.gz DAJJUZSRJNLWSM-LBPRGKRZSA-N 2 2 238.335 0.264 20 0 BCADLP CC(C)[C@H]([NH3+])CNC(=O)CCn1cc[nH+]c1 ZINC000070010020 187274882 /nfs/dbraw/zinc/27/48/82/187274882.db2.gz UOGGOXSEXFSFPE-SNVBAGLBSA-N 2 2 224.308 0.373 20 0 BCADLP Cn1c[nH+]c(CN2CCC([NH+](C)C)CC2)c1 ZINC000683898575 488240010 /nfs/dbraw/zinc/24/00/10/488240010.db2.gz NAQLJBVQBXLDII-UHFFFAOYSA-N 2 2 222.336 0.946 20 0 BCADLP [NH3+][C@]12CCC[C@H]1C[N@H+](CCn1cccn1)C2 ZINC000621781186 343906165 /nfs/dbraw/zinc/90/61/65/343906165.db2.gz ABDYVGAYGXDSJA-RYUDHWBXSA-N 2 2 220.320 0.696 20 0 BCADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCn1cccn1)C2 ZINC000621781186 343906168 /nfs/dbraw/zinc/90/61/68/343906168.db2.gz ABDYVGAYGXDSJA-RYUDHWBXSA-N 2 2 220.320 0.696 20 0 BCADLP C[NH2+]Cc1cn(Cc2ccc(N(C)C)[nH+]c2)nn1 ZINC000641178177 362257008 /nfs/dbraw/zinc/25/70/08/362257008.db2.gz QDYWBNJFDQPOCP-UHFFFAOYSA-N 2 2 246.318 0.507 20 0 BCADLP C[C@@H](O)CC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625544572 343931425 /nfs/dbraw/zinc/93/14/25/343931425.db2.gz VKCRBOVBSDIJNL-GFCCVEGCSA-N 2 2 242.363 0.554 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000393811835 343974538 /nfs/dbraw/zinc/97/45/38/343974538.db2.gz XAPATFSUHFCWSE-NHCYSSNCSA-N 2 2 226.320 0.609 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000393811835 343974539 /nfs/dbraw/zinc/97/45/39/343974539.db2.gz XAPATFSUHFCWSE-NHCYSSNCSA-N 2 2 226.320 0.609 20 0 BCADLP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492858439 529953946 /nfs/dbraw/zinc/95/39/46/529953946.db2.gz LHSHUPURVDPTDH-DLRQAJBASA-N 2 2 248.330 0.833 20 0 BCADLP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492858439 529953948 /nfs/dbraw/zinc/95/39/48/529953948.db2.gz LHSHUPURVDPTDH-DLRQAJBASA-N 2 2 248.330 0.833 20 0 BCADLP CC[C@@H]([NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000130372472 344133798 /nfs/dbraw/zinc/13/37/98/344133798.db2.gz LBVXRKSMTZVEIW-NXEZZACHSA-N 2 2 224.308 0.373 20 0 BCADLP CC[NH+]1CCN(C(=O)c2c[nH+]ccc2N)CC1 ZINC000082304344 344153485 /nfs/dbraw/zinc/15/34/85/344153485.db2.gz DHHKCYPGYWOVFX-UHFFFAOYSA-N 2 2 234.303 0.442 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cncn1C ZINC000133616211 344320145 /nfs/dbraw/zinc/32/01/45/344320145.db2.gz OIKMTPBXSKEHBU-VHSXEESVSA-N 2 2 208.309 0.732 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cncn1C ZINC000133616211 344320146 /nfs/dbraw/zinc/32/01/46/344320146.db2.gz OIKMTPBXSKEHBU-VHSXEESVSA-N 2 2 208.309 0.732 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CCN1Cc1c[nH+]cn1C ZINC000133616211 344320147 /nfs/dbraw/zinc/32/01/47/344320147.db2.gz OIKMTPBXSKEHBU-VHSXEESVSA-N 2 2 208.309 0.732 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H]1COC ZINC000570812619 323071157 /nfs/dbraw/zinc/07/11/57/323071157.db2.gz FKHRBDSDJHRTOK-GHMZBOCLSA-N 2 2 216.325 0.020 20 0 BCADLP C[NH2+][C@@H]1CC[N@H+](CCCCC(=O)OC)C1 ZINC000600705572 344360354 /nfs/dbraw/zinc/36/03/54/344360354.db2.gz RZNULUYWDHJTEX-SNVBAGLBSA-N 2 2 214.309 0.623 20 0 BCADLP C[NH2+][C@@H]1CC[N@@H+](CCCCC(=O)OC)C1 ZINC000600705572 344360357 /nfs/dbraw/zinc/36/03/57/344360357.db2.gz RZNULUYWDHJTEX-SNVBAGLBSA-N 2 2 214.309 0.623 20 0 BCADLP CC[N@H+](CC[NH3+])CCC(=O)OC(C)C ZINC000600719813 344362741 /nfs/dbraw/zinc/36/27/41/344362741.db2.gz KWOMNVHECYOTLX-UHFFFAOYSA-N 2 2 202.298 0.609 20 0 BCADLP CC[N@@H+](CC[NH3+])CCC(=O)OC(C)C ZINC000600719813 344362743 /nfs/dbraw/zinc/36/27/43/344362743.db2.gz KWOMNVHECYOTLX-UHFFFAOYSA-N 2 2 202.298 0.609 20 0 BCADLP CCC[NH2+][C@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000584288664 344422085 /nfs/dbraw/zinc/42/20/85/344422085.db2.gz ZPQQEFVMPQZEDC-LLVKDONJSA-N 2 2 238.335 0.778 20 0 BCADLP CC[N@H+](CC[NH3+])Cc1c[nH]c(C(=O)OC)c1 ZINC000600773290 344372502 /nfs/dbraw/zinc/37/25/02/344372502.db2.gz GFXVOGPJENMYDE-UHFFFAOYSA-N 2 2 225.292 0.582 20 0 BCADLP CC[N@@H+](CC[NH3+])Cc1c[nH]c(C(=O)OC)c1 ZINC000600773290 344372503 /nfs/dbraw/zinc/37/25/03/344372503.db2.gz GFXVOGPJENMYDE-UHFFFAOYSA-N 2 2 225.292 0.582 20 0 BCADLP C[N@@H+]1CCN(c2[nH+]cnc3[nH]ccc32)[C@@H](CO)C1 ZINC000634801485 344384752 /nfs/dbraw/zinc/38/47/52/344384752.db2.gz AHSJKXMQYAVIME-SECBINFHSA-N 2 2 247.302 0.071 20 0 BCADLP C[N@H+]1CCN(c2[nH+]cnc3[nH]ccc32)[C@@H](CO)C1 ZINC000634801485 344384754 /nfs/dbraw/zinc/38/47/54/344384754.db2.gz AHSJKXMQYAVIME-SECBINFHSA-N 2 2 247.302 0.071 20 0 BCADLP C[C@@H](Nc1cc(-n2cc[nH+]c2)ncn1)[C@H](C)[NH3+] ZINC000634810023 344394981 /nfs/dbraw/zinc/39/49/81/344394981.db2.gz JHDLCTWCHUNDSS-DTWKUNHWSA-N 2 2 232.291 0.810 20 0 BCADLP c1nc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)c2c([nH+]1)NCCO2 ZINC000634812718 344396968 /nfs/dbraw/zinc/39/69/68/344396968.db2.gz PTPCSTHQOXRDND-DTORHVGOSA-N 2 2 247.302 0.222 20 0 BCADLP COC(=O)CCC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000041028777 344412609 /nfs/dbraw/zinc/41/26/09/344412609.db2.gz PFGIQEBGHCJMDQ-VIFPVBQESA-N 2 2 200.282 0.363 20 0 BCADLP COC(=O)CCC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000041028777 344412612 /nfs/dbraw/zinc/41/26/12/344412612.db2.gz PFGIQEBGHCJMDQ-VIFPVBQESA-N 2 2 200.282 0.363 20 0 BCADLP Cc1c[nH]c(CN2CC[C@@H]3C[N@H+](C)C[C@H]32)[nH+]1 ZINC000628291866 347052575 /nfs/dbraw/zinc/05/25/75/347052575.db2.gz YDELSNOARHYGCG-GHMZBOCLSA-N 2 2 220.320 0.854 20 0 BCADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](CCC[NH3+])COC ZINC000300023265 344509927 /nfs/dbraw/zinc/50/99/27/344509927.db2.gz DHMDNWKGVBRSMD-OLZOCXBDSA-N 3 2 243.395 0.814 20 0 BCADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](CCC[NH3+])COC ZINC000300023265 344509929 /nfs/dbraw/zinc/50/99/29/344509929.db2.gz DHMDNWKGVBRSMD-OLZOCXBDSA-N 3 2 243.395 0.814 20 0 BCADLP C[NH+](C)C[C@](C)(O)CNc1cc[nH+]cc1F ZINC000641458551 362434710 /nfs/dbraw/zinc/43/47/10/362434710.db2.gz CSFXFIFZJLYJQM-LLVKDONJSA-N 2 2 227.283 0.367 20 0 BCADLP C[N@H+]1C[C@H]2CN(c3cc(CO)cc[nH+]3)C[C@H]2C1 ZINC000641542471 362490416 /nfs/dbraw/zinc/49/04/16/362490416.db2.gz SISLOGYGJICDIX-TXEJJXNPSA-N 2 2 233.315 0.572 20 0 BCADLP C[N@@H+]1C[C@H]2CN(c3cc(CO)cc[nH+]3)C[C@H]2C1 ZINC000641542471 362490424 /nfs/dbraw/zinc/49/04/24/362490424.db2.gz SISLOGYGJICDIX-TXEJJXNPSA-N 2 2 233.315 0.572 20 0 BCADLP CC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220937594 344644026 /nfs/dbraw/zinc/64/40/26/344644026.db2.gz SLONXNPVFCONBZ-RYUDHWBXSA-N 2 2 210.321 0.992 20 0 BCADLP CC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220937594 344644027 /nfs/dbraw/zinc/64/40/27/344644027.db2.gz SLONXNPVFCONBZ-RYUDHWBXSA-N 2 2 210.321 0.992 20 0 BCADLP CC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220937594 344644028 /nfs/dbraw/zinc/64/40/28/344644028.db2.gz SLONXNPVFCONBZ-RYUDHWBXSA-N 2 2 210.321 0.992 20 0 BCADLP CC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220937594 344644029 /nfs/dbraw/zinc/64/40/29/344644029.db2.gz SLONXNPVFCONBZ-RYUDHWBXSA-N 2 2 210.321 0.992 20 0 BCADLP CSCC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166123534 344742914 /nfs/dbraw/zinc/74/29/14/344742914.db2.gz MFGDCQFXNVLWGI-VHSXEESVSA-N 2 2 218.366 0.706 20 0 BCADLP C[N@@H+]1CCN(C(=O)/C=C/C2CC2)[C@H](C[NH3+])C1 ZINC000493352550 530065997 /nfs/dbraw/zinc/06/59/97/530065997.db2.gz MXMKQALNXQQPIZ-SGUJLRQBSA-N 2 2 223.320 0.054 20 0 BCADLP C[N@H+]1CCN(C(=O)/C=C/C2CC2)[C@H](C[NH3+])C1 ZINC000493352550 530065998 /nfs/dbraw/zinc/06/59/98/530065998.db2.gz MXMKQALNXQQPIZ-SGUJLRQBSA-N 2 2 223.320 0.054 20 0 BCADLP C[NH+]1CCC(NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493081720 530049806 /nfs/dbraw/zinc/04/98/06/530049806.db2.gz HBEWSLDKKFIFQG-IHWYPQMZSA-N 2 2 234.303 0.633 20 0 BCADLP Cc1c[nH]c(CN2CC[NH+](C[C@@H](C)O)CC2)[nH+]1 ZINC000628162734 344861719 /nfs/dbraw/zinc/86/17/19/344861719.db2.gz BSDNBUKWGURPMW-LLVKDONJSA-N 2 2 238.335 0.217 20 0 BCADLP CN(C)c1ncc(C[NH2+]CCC[NH+]2CCC2)cn1 ZINC000583391010 344877015 /nfs/dbraw/zinc/87/70/15/344877015.db2.gz HKTRZDGYHKSXFK-UHFFFAOYSA-N 2 2 249.362 0.728 20 0 BCADLP C[N@H+](CC[NH2+]CCC(N)=O)Cc1ccccc1 ZINC000307109542 344927653 /nfs/dbraw/zinc/92/76/53/344927653.db2.gz KITRUEQPNGIMAR-UHFFFAOYSA-N 2 2 235.331 0.583 20 0 BCADLP C[N@@H+](CC[NH2+]CCC(N)=O)Cc1ccccc1 ZINC000307109542 344927658 /nfs/dbraw/zinc/92/76/58/344927658.db2.gz KITRUEQPNGIMAR-UHFFFAOYSA-N 2 2 235.331 0.583 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000154303037 345026023 /nfs/dbraw/zinc/02/60/23/345026023.db2.gz XXNMEYNELWPRSA-FVCCEPFGSA-N 3 2 243.395 0.227 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000154303037 345026027 /nfs/dbraw/zinc/02/60/27/345026027.db2.gz XXNMEYNELWPRSA-FVCCEPFGSA-N 3 2 243.395 0.227 20 0 BCADLP C[C@@H](O)C[C@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993374 345189660 /nfs/dbraw/zinc/18/96/60/345189660.db2.gz SFFPEMOQDDLLHU-CQLXCSJHSA-N 2 2 224.348 0.974 20 0 BCADLP C[C@@H](O)C[C@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993374 345189664 /nfs/dbraw/zinc/18/96/64/345189664.db2.gz SFFPEMOQDDLLHU-CQLXCSJHSA-N 2 2 224.348 0.974 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000634991299 345174143 /nfs/dbraw/zinc/17/41/43/345174143.db2.gz YHWXBCJHVUYWMO-IJLUTSLNSA-N 3 2 213.369 0.886 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000634991299 345174145 /nfs/dbraw/zinc/17/41/45/345174145.db2.gz YHWXBCJHVUYWMO-IJLUTSLNSA-N 3 2 213.369 0.886 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000634991735 345178246 /nfs/dbraw/zinc/17/82/46/345178246.db2.gz PVACGGNUJSXGDT-QJPTWQEYSA-N 3 2 229.368 0.265 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000634991735 345178248 /nfs/dbraw/zinc/17/82/48/345178248.db2.gz PVACGGNUJSXGDT-QJPTWQEYSA-N 3 2 229.368 0.265 20 0 BCADLP Cc1cn2c([nH+]1)CN(CC13CC(C1)C[NH2+]3)CC2 ZINC000634994568 345181691 /nfs/dbraw/zinc/18/16/91/345181691.db2.gz HNLKMVQUKPTOFV-UHFFFAOYSA-N 2 2 232.331 0.759 20 0 BCADLP O=C1[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C[C@@H]2CCCCN12 ZINC000634996820 345182769 /nfs/dbraw/zinc/18/27/69/345182769.db2.gz WCGAJJYAJANORN-ATJQQHLPSA-N 2 2 249.358 0.481 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000634994980 345183423 /nfs/dbraw/zinc/18/34/23/345183423.db2.gz RKVUFJCNWBJHQH-JHJVBQTASA-N 3 2 225.380 0.901 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000634994980 345183424 /nfs/dbraw/zinc/18/34/24/345183424.db2.gz RKVUFJCNWBJHQH-JHJVBQTASA-N 3 2 225.380 0.901 20 0 BCADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634996108 345186902 /nfs/dbraw/zinc/18/69/02/345186902.db2.gz ZLKUPKMTGDCAIU-QWKFWESOSA-N 3 2 223.364 0.716 20 0 BCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCNC(=O)CC1 ZINC000634950127 345126738 /nfs/dbraw/zinc/12/67/38/345126738.db2.gz JUMIMETZXWQITQ-VXGBXAGGSA-N 2 2 239.363 0.729 20 0 BCADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCNC(=O)CC1 ZINC000634950127 345126739 /nfs/dbraw/zinc/12/67/39/345126739.db2.gz JUMIMETZXWQITQ-VXGBXAGGSA-N 2 2 239.363 0.729 20 0 BCADLP C[C@H](C[NH2+][C@H]1CCNC(=O)CC1)[N@H+](C)C1CC1 ZINC000634959792 345133073 /nfs/dbraw/zinc/13/30/73/345133073.db2.gz BBWIBZCZTIWODA-GHMZBOCLSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@H](C[NH2+][C@H]1CCNC(=O)CC1)[N@@H+](C)C1CC1 ZINC000634959792 345133076 /nfs/dbraw/zinc/13/30/76/345133076.db2.gz BBWIBZCZTIWODA-GHMZBOCLSA-N 2 2 239.363 0.727 20 0 BCADLP C[N@H+](C[C@@H]1COCCO1)CC12CC(C1)C[NH2+]2 ZINC000634996351 345187758 /nfs/dbraw/zinc/18/77/58/345187758.db2.gz HQMXMTQFTVJAEJ-MOENNCHZSA-N 2 2 226.320 0.086 20 0 BCADLP C[N@@H+](C[C@@H]1COCCO1)CC12CC(C1)C[NH2+]2 ZINC000634996351 345187759 /nfs/dbraw/zinc/18/77/59/345187759.db2.gz HQMXMTQFTVJAEJ-MOENNCHZSA-N 2 2 226.320 0.086 20 0 BCADLP C[NH+](C)C1(C[NH2+][C@H]2CCNC(=O)CC2)CCC1 ZINC000634977532 345153747 /nfs/dbraw/zinc/15/37/47/345153747.db2.gz CRCWIQIBMLLXJQ-LLVKDONJSA-N 2 2 239.363 0.729 20 0 BCADLP C[C@H](C(=O)NCCCn1cc[nH+]c1)[NH+](C)C ZINC000635067172 345235907 /nfs/dbraw/zinc/23/59/07/345235907.db2.gz LYCJSQDGEHKPBI-SNVBAGLBSA-N 2 2 224.308 0.340 20 0 BCADLP C[C@H](C(=O)NCc1cn2ccccc2[nH+]1)[NH+](C)C ZINC000635118759 345250612 /nfs/dbraw/zinc/25/06/12/345250612.db2.gz CSHQEXWETDSACT-SNVBAGLBSA-N 2 2 246.314 0.901 20 0 BCADLP c1ncn([C@H]2CC[N@@H+](CC34CC(C3)C[NH2+]4)C2)n1 ZINC000634993935 345191902 /nfs/dbraw/zinc/19/19/02/345191902.db2.gz KTSZYXXNSIFXJO-CXQJBGSLSA-N 2 2 233.319 0.277 20 0 BCADLP c1ncn([C@H]2CC[N@H+](CC34CC(C3)C[NH2+]4)C2)n1 ZINC000634993935 345191905 /nfs/dbraw/zinc/19/19/05/345191905.db2.gz KTSZYXXNSIFXJO-CXQJBGSLSA-N 2 2 233.319 0.277 20 0 BCADLP O=C1[C@H]([NH2+]CC23CC(C2)C[NH2+]3)CCN1C1CCC1 ZINC000634997757 345196426 /nfs/dbraw/zinc/19/64/26/345196426.db2.gz RUTOSQIEWYTEEY-KSGYAGIASA-N 2 2 249.358 0.481 20 0 BCADLP C[C@H]1C[N@H+](Cc2nccn2C)C[C@H]1C[NH3+] ZINC000634999807 345201459 /nfs/dbraw/zinc/20/14/59/345201459.db2.gz ZFTWTNMOCBRWPV-VHSXEESVSA-N 2 2 208.309 0.447 20 0 BCADLP C[C@H]1C[N@@H+](Cc2nccn2C)C[C@H]1C[NH3+] ZINC000634999807 345201463 /nfs/dbraw/zinc/20/14/63/345201463.db2.gz ZFTWTNMOCBRWPV-VHSXEESVSA-N 2 2 208.309 0.447 20 0 BCADLP O=C(NCC[NH+]1CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635136430 345257386 /nfs/dbraw/zinc/25/73/86/345257386.db2.gz WWSPPAJALWPDMF-GHMZBOCLSA-N 2 2 248.330 0.725 20 0 BCADLP O=C(NCC[NH+]1CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635136430 345257387 /nfs/dbraw/zinc/25/73/87/345257387.db2.gz WWSPPAJALWPDMF-GHMZBOCLSA-N 2 2 248.330 0.725 20 0 BCADLP CCc1c[nH]c(CC(=O)NC[C@@H](C)[NH+](C)C)[nH+]1 ZINC000635254418 345287430 /nfs/dbraw/zinc/28/74/30/345287430.db2.gz DRZLNDJNTQLQJI-SECBINFHSA-N 2 2 238.335 0.581 20 0 BCADLP O=C(NCCn1cc[nH+]c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635526811 345424575 /nfs/dbraw/zinc/42/45/75/345424575.db2.gz CMPMDNBMVMUVFA-PHIMTYICSA-N 2 2 249.318 0.029 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCCn1cc[nH+]c1 ZINC000635528923 345437696 /nfs/dbraw/zinc/43/76/96/345437696.db2.gz XQDCXQJWZOHRIB-ZJUUUORDSA-N 2 2 237.307 0.014 20 0 BCADLP OCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961547 345455360 /nfs/dbraw/zinc/45/53/60/345455360.db2.gz QFMRZTSSZISKIV-JTQLQIEISA-N 2 2 209.293 0.972 20 0 BCADLP OCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961547 345455362 /nfs/dbraw/zinc/45/53/62/345455362.db2.gz QFMRZTSSZISKIV-JTQLQIEISA-N 2 2 209.293 0.972 20 0 BCADLP Cn1ncnc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158948802 345391312 /nfs/dbraw/zinc/39/13/12/345391312.db2.gz JYAGESBBSBCQJV-NEPJUHHUSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncnc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158948802 345391315 /nfs/dbraw/zinc/39/13/15/345391315.db2.gz JYAGESBBSBCQJV-NEPJUHHUSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncnc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158948802 345391316 /nfs/dbraw/zinc/39/13/16/345391316.db2.gz JYAGESBBSBCQJV-NEPJUHHUSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncnc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158948802 345391318 /nfs/dbraw/zinc/39/13/18/345391318.db2.gz JYAGESBBSBCQJV-NEPJUHHUSA-N 2 2 249.362 0.731 20 0 BCADLP C[C@H](C(=O)N1CC(Oc2cc[nH+]cc2)C1)[NH+](C)C ZINC000635488263 345393289 /nfs/dbraw/zinc/39/32/89/345393289.db2.gz XFQMCJTXDAJYDC-SNVBAGLBSA-N 2 2 249.314 0.621 20 0 BCADLP CCC[NH+]1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635496299 345399024 /nfs/dbraw/zinc/39/90/24/345399024.db2.gz XDVCFKVPTMIIPV-LLVKDONJSA-N 2 2 227.352 0.491 20 0 BCADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC(N)=O)C1 ZINC000081631420 345488668 /nfs/dbraw/zinc/48/86/68/345488668.db2.gz SLSMAUIHNCSLDV-NSHDSACASA-N 2 2 225.336 0.135 20 0 BCADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC(N)=O)C1 ZINC000081631420 345488670 /nfs/dbraw/zinc/48/86/70/345488670.db2.gz SLSMAUIHNCSLDV-NSHDSACASA-N 2 2 225.336 0.135 20 0 BCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC000081631420 345488673 /nfs/dbraw/zinc/48/86/73/345488673.db2.gz SLSMAUIHNCSLDV-NSHDSACASA-N 2 2 225.336 0.135 20 0 BCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC000081631420 345488675 /nfs/dbraw/zinc/48/86/75/345488675.db2.gz SLSMAUIHNCSLDV-NSHDSACASA-N 2 2 225.336 0.135 20 0 BCADLP C[N@@H+]1CC[C@H](CC(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000635546898 345581270 /nfs/dbraw/zinc/58/12/70/345581270.db2.gz WJGROBPEZOVIOY-SNVBAGLBSA-N 2 2 236.319 0.410 20 0 BCADLP C[N@H+]1CC[C@H](CC(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000635546898 345581272 /nfs/dbraw/zinc/58/12/72/345581272.db2.gz WJGROBPEZOVIOY-SNVBAGLBSA-N 2 2 236.319 0.410 20 0 BCADLP Cn1nncc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043105 345614674 /nfs/dbraw/zinc/61/46/74/345614674.db2.gz GBYBYJINFSHWMD-DGCLKSJQSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1nncc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043105 345614677 /nfs/dbraw/zinc/61/46/77/345614677.db2.gz GBYBYJINFSHWMD-DGCLKSJQSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1nncc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000092043105 345614679 /nfs/dbraw/zinc/61/46/79/345614679.db2.gz GBYBYJINFSHWMD-DGCLKSJQSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1nncc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000092043105 345614681 /nfs/dbraw/zinc/61/46/81/345614681.db2.gz GBYBYJINFSHWMD-DGCLKSJQSA-N 2 2 249.362 0.731 20 0 BCADLP C[C@H](C(=O)NCC[NH+]1CCSCC1)[NH+](C)C ZINC000635552186 345631840 /nfs/dbraw/zinc/63/18/40/345631840.db2.gz RVKMNVWUTTTWGY-SNVBAGLBSA-N 2 2 245.392 0.102 20 0 BCADLP Nc1cnccc1C[NH2+]CCn1cc[nH+]c1 ZINC000641702884 362613007 /nfs/dbraw/zinc/61/30/07/362613007.db2.gz CHSLLCGSGBOQPA-UHFFFAOYSA-N 2 2 217.276 0.650 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnnn2C)C1 ZINC000093770008 345664218 /nfs/dbraw/zinc/66/42/18/345664218.db2.gz FCXUKUVMPWFWLY-LLVKDONJSA-N 2 2 237.351 0.589 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnnn2C)C1 ZINC000093770008 345664220 /nfs/dbraw/zinc/66/42/20/345664220.db2.gz FCXUKUVMPWFWLY-LLVKDONJSA-N 2 2 237.351 0.589 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC000093770008 345664221 /nfs/dbraw/zinc/66/42/21/345664221.db2.gz FCXUKUVMPWFWLY-LLVKDONJSA-N 2 2 237.351 0.589 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC000093770008 345664222 /nfs/dbraw/zinc/66/42/22/345664222.db2.gz FCXUKUVMPWFWLY-LLVKDONJSA-N 2 2 237.351 0.589 20 0 BCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccccc1 ZINC000221396209 345747730 /nfs/dbraw/zinc/74/77/30/345747730.db2.gz XILLLACFFMMNNM-CYBMUJFWSA-N 2 2 219.332 0.680 20 0 BCADLP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635557639 345719079 /nfs/dbraw/zinc/71/90/79/345719079.db2.gz AYYZKEKIDVKMGL-HBNTYKKESA-N 2 2 248.330 0.724 20 0 BCADLP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635557639 345719080 /nfs/dbraw/zinc/71/90/80/345719080.db2.gz AYYZKEKIDVKMGL-HBNTYKKESA-N 2 2 248.330 0.724 20 0 BCADLP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635557639 345719082 /nfs/dbraw/zinc/71/90/82/345719082.db2.gz AYYZKEKIDVKMGL-HBNTYKKESA-N 2 2 248.330 0.724 20 0 BCADLP CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000204329206 345732164 /nfs/dbraw/zinc/73/21/64/345732164.db2.gz SFVGADXTCNCSFW-NSHDSACASA-N 2 2 225.336 0.291 20 0 BCADLP CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000204329206 345732166 /nfs/dbraw/zinc/73/21/66/345732166.db2.gz SFVGADXTCNCSFW-NSHDSACASA-N 2 2 225.336 0.291 20 0 BCADLP C[NH+](C)CC1(C(=O)N2CC(n3cc[nH+]c3)C2)CC1 ZINC000635564476 345783003 /nfs/dbraw/zinc/78/30/03/345783003.db2.gz CYUXGOBHFNEEKK-UHFFFAOYSA-N 2 2 248.330 0.608 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635638171 345911809 /nfs/dbraw/zinc/91/18/09/345911809.db2.gz QIENVWDCMYHBHW-NSHDSACASA-N 2 2 236.319 0.819 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635638171 345911811 /nfs/dbraw/zinc/91/18/11/345911811.db2.gz QIENVWDCMYHBHW-NSHDSACASA-N 2 2 236.319 0.819 20 0 BCADLP C[C@H](C(=O)NCc1ccn2cc[nH+]c2c1)[NH+](C)C ZINC000635692855 345978051 /nfs/dbraw/zinc/97/80/51/345978051.db2.gz VLKPWIBOJCFTFM-SNVBAGLBSA-N 2 2 246.314 0.901 20 0 BCADLP C[C@H](NC(=O)[C@H]([NH3+])C1CCC1)c1[nH+]ccn1C ZINC000662935710 537935262 /nfs/dbraw/zinc/93/52/62/537935262.db2.gz YAQSGQVGRHQWNK-WCBMZHEXSA-N 2 2 236.319 0.725 20 0 BCADLP C[C@H](NC(=O)[C@H]1CCCC[NH2+]1)c1[nH+]ccn1C ZINC000662935781 537935383 /nfs/dbraw/zinc/93/53/83/537935383.db2.gz ZQFKHAWVVTZUKS-VHSXEESVSA-N 2 2 236.319 0.739 20 0 BCADLP C[C@H](C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000635715482 346027087 /nfs/dbraw/zinc/02/70/87/346027087.db2.gz JUPXHHOYHKTWEH-BDAKNGLRSA-N 2 2 236.319 0.333 20 0 BCADLP C[C@H](C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000635715482 346027088 /nfs/dbraw/zinc/02/70/88/346027088.db2.gz JUPXHHOYHKTWEH-BDAKNGLRSA-N 2 2 236.319 0.333 20 0 BCADLP CC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC000635732309 346042725 /nfs/dbraw/zinc/04/27/25/346042725.db2.gz FJDYDJHWHXKYOC-WDEREUQCSA-N 2 2 227.352 0.489 20 0 BCADLP CC[N@H+]1CCN(C(=O)[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC000635732309 346042726 /nfs/dbraw/zinc/04/27/26/346042726.db2.gz FJDYDJHWHXKYOC-WDEREUQCSA-N 2 2 227.352 0.489 20 0 BCADLP CC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+](C)C)C[C@H]1C ZINC000635732306 346042749 /nfs/dbraw/zinc/04/27/49/346042749.db2.gz FJDYDJHWHXKYOC-GHMZBOCLSA-N 2 2 227.352 0.489 20 0 BCADLP CC[N@H+]1CCN(C(=O)[C@@H](C)[NH+](C)C)C[C@H]1C ZINC000635732306 346042750 /nfs/dbraw/zinc/04/27/50/346042750.db2.gz FJDYDJHWHXKYOC-GHMZBOCLSA-N 2 2 227.352 0.489 20 0 BCADLP C[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000586754189 346060773 /nfs/dbraw/zinc/06/07/73/346060773.db2.gz YMYUIESIOULUHE-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635822226 346077259 /nfs/dbraw/zinc/07/72/59/346077259.db2.gz OXOKNWHTMMHNQX-GHMZBOCLSA-N 2 2 248.330 0.722 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635822226 346077261 /nfs/dbraw/zinc/07/72/61/346077261.db2.gz OXOKNWHTMMHNQX-GHMZBOCLSA-N 2 2 248.330 0.722 20 0 BCADLP CC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+](C)C)[C@@H](C)C1 ZINC000635918072 346109102 /nfs/dbraw/zinc/10/91/02/346109102.db2.gz GVYTUKGGGSAXQJ-WDEREUQCSA-N 2 2 227.352 0.489 20 0 BCADLP CC[N@H+]1CCN(C(=O)[C@@H](C)[NH+](C)C)[C@@H](C)C1 ZINC000635918072 346109104 /nfs/dbraw/zinc/10/91/04/346109104.db2.gz GVYTUKGGGSAXQJ-WDEREUQCSA-N 2 2 227.352 0.489 20 0 BCADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]CC1(F)CC1 ZINC000574897982 346151181 /nfs/dbraw/zinc/15/11/81/346151181.db2.gz ZYZFQRAANUAPRX-NSHDSACASA-N 2 2 230.327 0.925 20 0 BCADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]CC1(F)CC1 ZINC000574897982 346151183 /nfs/dbraw/zinc/15/11/83/346151183.db2.gz ZYZFQRAANUAPRX-NSHDSACASA-N 2 2 230.327 0.925 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336775871 187317667 /nfs/dbraw/zinc/31/76/67/187317667.db2.gz CXPAYNHIQSOUDJ-ZYHUDNBSSA-N 3 2 222.336 0.731 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336775871 187317669 /nfs/dbraw/zinc/31/76/69/187317669.db2.gz CXPAYNHIQSOUDJ-ZYHUDNBSSA-N 3 2 222.336 0.731 20 0 BCADLP Nc1cnccc1C[NH2+]CCC[NH+]1CCC1 ZINC000641741318 362669222 /nfs/dbraw/zinc/66/92/22/362669222.db2.gz BNMGXMZXVLTGTA-UHFFFAOYSA-N 2 2 220.320 0.849 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636097782 346319513 /nfs/dbraw/zinc/31/95/13/346319513.db2.gz KOYVAVGMCWTCRH-TXEJJXNPSA-N 2 2 248.330 0.626 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C1(C[NH+](C)C)CC1 ZINC000636166517 346342511 /nfs/dbraw/zinc/34/25/11/346342511.db2.gz CQIIUKZRZPOKIQ-UHFFFAOYSA-N 2 2 236.319 0.710 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C1(C[NH+](C)C)CC1 ZINC000636166517 346342514 /nfs/dbraw/zinc/34/25/14/346342514.db2.gz CQIIUKZRZPOKIQ-UHFFFAOYSA-N 2 2 236.319 0.710 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000381588684 346392021 /nfs/dbraw/zinc/39/20/21/346392021.db2.gz CNSKATDZGTYKRE-MXWKQRLJSA-N 2 2 225.336 0.147 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000381588684 346392024 /nfs/dbraw/zinc/39/20/24/346392024.db2.gz CNSKATDZGTYKRE-MXWKQRLJSA-N 2 2 225.336 0.147 20 0 BCADLP C[N@@H+]1CCCC12CC[NH+]([C@@H]1CCNC1=O)CC2 ZINC000336444608 187368863 /nfs/dbraw/zinc/36/88/63/187368863.db2.gz SJUDFOVYTAEGNZ-LLVKDONJSA-N 2 2 237.347 0.435 20 0 BCADLP C[N@H+]1CCCC12CC[NH+]([C@@H]1CCNC1=O)CC2 ZINC000336444608 187368865 /nfs/dbraw/zinc/36/88/65/187368865.db2.gz SJUDFOVYTAEGNZ-LLVKDONJSA-N 2 2 237.347 0.435 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCn2nncc2C1 ZINC000574924734 346415240 /nfs/dbraw/zinc/41/52/40/346415240.db2.gz FJWOPNGAWINGJT-UHFFFAOYSA-N 2 2 232.291 0.299 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCn2nncc2C1 ZINC000574924734 346415243 /nfs/dbraw/zinc/41/52/43/346415243.db2.gz FJWOPNGAWINGJT-UHFFFAOYSA-N 2 2 232.291 0.299 20 0 BCADLP C[C@@]1(C[NH2+]CCn2cc[nH+]c2)CC[NH2+]C1 ZINC000575046241 346421434 /nfs/dbraw/zinc/42/14/34/346421434.db2.gz HVMMVKMQYJTEPV-LLVKDONJSA-N 3 2 208.309 0.472 20 0 BCADLP c1n[nH]cc1CC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000641797941 362738473 /nfs/dbraw/zinc/73/84/73/362738473.db2.gz ASLAFLCMUQLWTF-VXGBXAGGSA-N 2 2 220.320 0.636 20 0 BCADLP c1n[nH]cc1CC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000641797941 362738477 /nfs/dbraw/zinc/73/84/77/362738477.db2.gz ASLAFLCMUQLWTF-VXGBXAGGSA-N 2 2 220.320 0.636 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000332792787 346442204 /nfs/dbraw/zinc/44/22/04/346442204.db2.gz AUHBMAOZHMSQOL-SKDRFNHKSA-N 2 2 248.330 0.477 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000332792787 346442208 /nfs/dbraw/zinc/44/22/08/346442208.db2.gz AUHBMAOZHMSQOL-SKDRFNHKSA-N 2 2 248.330 0.477 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000332792787 346442209 /nfs/dbraw/zinc/44/22/09/346442209.db2.gz AUHBMAOZHMSQOL-SKDRFNHKSA-N 2 2 248.330 0.477 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000332792787 346442214 /nfs/dbraw/zinc/44/22/14/346442214.db2.gz AUHBMAOZHMSQOL-SKDRFNHKSA-N 2 2 248.330 0.477 20 0 BCADLP C[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)C[C@H]1C[NH3+] ZINC000641797961 362738578 /nfs/dbraw/zinc/73/85/78/362738578.db2.gz AXXRPFLJMCBUHV-VXGBXAGGSA-N 3 2 236.363 0.879 20 0 BCADLP C[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)C[C@H]1C[NH3+] ZINC000641797961 362738581 /nfs/dbraw/zinc/73/85/81/362738581.db2.gz AXXRPFLJMCBUHV-VXGBXAGGSA-N 3 2 236.363 0.879 20 0 BCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc[nH+]cc1O ZINC000575056436 346456839 /nfs/dbraw/zinc/45/68/39/346456839.db2.gz BTYKKZMWEYPRQN-SFYZADRCSA-N 2 2 221.260 0.146 20 0 BCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000641798783 362747181 /nfs/dbraw/zinc/74/71/81/362747181.db2.gz IFAFKIXQWMYOOP-NTZNESFSSA-N 3 2 236.363 0.939 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000641808380 362763480 /nfs/dbraw/zinc/76/34/80/362763480.db2.gz URILMTXDNICXBC-IJLUTSLNSA-N 2 2 247.342 0.928 20 0 BCADLP COc1cncc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)n1 ZINC000641801461 362755662 /nfs/dbraw/zinc/75/56/62/362755662.db2.gz QYXSUCRAVDKHRQ-NXEZZACHSA-N 2 2 236.319 0.701 20 0 BCADLP CCn1ncnc1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641802062 362758192 /nfs/dbraw/zinc/75/81/92/362758192.db2.gz HJXPDQRDGGOOPQ-DTWKUNHWSA-N 2 2 223.324 0.513 20 0 BCADLP CC1(C)[C@H]([NH2+]Cc2nnnn2C2CC2)C[C@@H]1[NH3+] ZINC000641804149 362760701 /nfs/dbraw/zinc/76/07/01/362760701.db2.gz IIYMDNZASBGGAJ-DTWKUNHWSA-N 2 2 236.323 0.223 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1c[nH+]cn1C ZINC000641818004 362769132 /nfs/dbraw/zinc/76/91/32/362769132.db2.gz BMONLBGMFNDHLT-WDEREUQCSA-N 3 2 222.336 0.774 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCc1c[nH+]cn1C ZINC000641818004 362769135 /nfs/dbraw/zinc/76/91/35/362769135.db2.gz BMONLBGMFNDHLT-WDEREUQCSA-N 3 2 222.336 0.774 20 0 BCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](C)COC ZINC000187811971 346617420 /nfs/dbraw/zinc/61/74/20/346617420.db2.gz DBMMPAPPCBVWIP-QWHCGFSZSA-N 2 2 244.379 0.969 20 0 BCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](C)COC ZINC000187811971 346617421 /nfs/dbraw/zinc/61/74/21/346617421.db2.gz DBMMPAPPCBVWIP-QWHCGFSZSA-N 2 2 244.379 0.969 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1c[nH+]cn1C ZINC000641818003 362769660 /nfs/dbraw/zinc/76/96/60/362769660.db2.gz BMONLBGMFNDHLT-QWRGUYRKSA-N 3 2 222.336 0.774 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1c[nH+]cn1C ZINC000641818003 362769663 /nfs/dbraw/zinc/76/96/63/362769663.db2.gz BMONLBGMFNDHLT-QWRGUYRKSA-N 3 2 222.336 0.774 20 0 BCADLP COC[C@@H](O)C[NH2+]Cc1ccn2cc[nH+]c2c1 ZINC000580185233 346630317 /nfs/dbraw/zinc/63/03/17/346630317.db2.gz BVGWMMNBRZBQNM-NSHDSACASA-N 2 2 235.287 0.431 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1CCCC1 ZINC000168954039 346749314 /nfs/dbraw/zinc/74/93/14/346749314.db2.gz BQZQYANQFFVCAF-WDEREUQCSA-N 2 2 225.336 0.420 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1CCCC1 ZINC000168954039 346749315 /nfs/dbraw/zinc/74/93/15/346749315.db2.gz BQZQYANQFFVCAF-WDEREUQCSA-N 2 2 225.336 0.420 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325889 347209741 /nfs/dbraw/zinc/20/97/41/347209741.db2.gz HCJFQQSXCRKWLQ-KXUCPTDWSA-N 2 2 214.309 0.465 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325889 347209742 /nfs/dbraw/zinc/20/97/42/347209742.db2.gz HCJFQQSXCRKWLQ-KXUCPTDWSA-N 2 2 214.309 0.465 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C(C)(C)C(=O)N(C)C)n1C ZINC000582074081 347175729 /nfs/dbraw/zinc/17/57/29/347175729.db2.gz ZOVJDTSGJRDYMZ-UHFFFAOYSA-N 2 2 238.335 0.685 20 0 BCADLP CC[NH+]1CCC([NH2+][C@H](C)CS(C)(=O)=O)CC1 ZINC000081900771 347256473 /nfs/dbraw/zinc/25/64/73/347256473.db2.gz KDEHWDHDOAHCFK-SNVBAGLBSA-N 2 2 248.392 0.493 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C1([NH3+])CCC1 ZINC000088050445 362841071 /nfs/dbraw/zinc/84/10/71/362841071.db2.gz LZRYDDHDZVMKRQ-VIFPVBQESA-N 2 2 222.292 0.269 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000396743378 362832382 /nfs/dbraw/zinc/83/23/82/362832382.db2.gz VBLMYDDKCOLCSV-NWDGAFQWSA-N 2 2 239.363 0.729 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000396743378 362832389 /nfs/dbraw/zinc/83/23/89/362832389.db2.gz VBLMYDDKCOLCSV-NWDGAFQWSA-N 2 2 239.363 0.729 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000616925838 347457304 /nfs/dbraw/zinc/45/73/04/347457304.db2.gz RXVKLTAGLAIXHV-LLVKDONJSA-N 2 2 236.319 0.852 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CCCC[N@H+]1C ZINC000616925838 347457306 /nfs/dbraw/zinc/45/73/06/347457306.db2.gz RXVKLTAGLAIXHV-LLVKDONJSA-N 2 2 236.319 0.852 20 0 BCADLP CC[C@@H](C(=O)N(C)Cc1c[nH+]c[nH]1)[NH+](C)C ZINC000616926870 347459344 /nfs/dbraw/zinc/45/93/44/347459344.db2.gz SQCDLXPFUDSRSC-JTQLQIEISA-N 2 2 224.308 0.708 20 0 BCADLP CC[C@@H](C(=O)N(C)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC000616926870 347459346 /nfs/dbraw/zinc/45/93/46/347459346.db2.gz SQCDLXPFUDSRSC-JTQLQIEISA-N 2 2 224.308 0.708 20 0 BCADLP CC[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000082476692 347618411 /nfs/dbraw/zinc/61/84/11/347618411.db2.gz CVCOAUCGMKKHQL-MNOVXSKESA-N 2 2 225.336 0.196 20 0 BCADLP CC[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000082476692 347618413 /nfs/dbraw/zinc/61/84/13/347618413.db2.gz CVCOAUCGMKKHQL-MNOVXSKESA-N 2 2 225.336 0.196 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591430250 347655311 /nfs/dbraw/zinc/65/53/11/347655311.db2.gz QQHOLZBZTLCDAV-WDEREUQCSA-N 2 2 236.319 0.340 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591430250 347655312 /nfs/dbraw/zinc/65/53/12/347655312.db2.gz QQHOLZBZTLCDAV-WDEREUQCSA-N 2 2 236.319 0.340 20 0 BCADLP CSC[C@H](O)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000591733626 347694094 /nfs/dbraw/zinc/69/40/94/347694094.db2.gz CAPAKFUQWGMKBM-NXEZZACHSA-N 2 2 218.366 0.394 20 0 BCADLP CSC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000591733626 347694097 /nfs/dbraw/zinc/69/40/97/347694097.db2.gz CAPAKFUQWGMKBM-NXEZZACHSA-N 2 2 218.366 0.394 20 0 BCADLP CSC[C@H](O)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000591733628 347694155 /nfs/dbraw/zinc/69/41/55/347694155.db2.gz CAPAKFUQWGMKBM-VHSXEESVSA-N 2 2 218.366 0.394 20 0 BCADLP CSC[C@H](O)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000591733628 347694158 /nfs/dbraw/zinc/69/41/58/347694158.db2.gz CAPAKFUQWGMKBM-VHSXEESVSA-N 2 2 218.366 0.394 20 0 BCADLP Cn1nnnc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591869125 347704230 /nfs/dbraw/zinc/70/42/30/347704230.db2.gz LNKRUECORDSBQL-SNVBAGLBSA-N 2 2 247.306 0.244 20 0 BCADLP Cn1nnnc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591869125 347704234 /nfs/dbraw/zinc/70/42/34/347704234.db2.gz LNKRUECORDSBQL-SNVBAGLBSA-N 2 2 247.306 0.244 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591869409 347704319 /nfs/dbraw/zinc/70/43/19/347704319.db2.gz UIXXOSJEEHGZSZ-WDEREUQCSA-N 2 2 236.319 0.784 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591869409 347704322 /nfs/dbraw/zinc/70/43/22/347704322.db2.gz UIXXOSJEEHGZSZ-WDEREUQCSA-N 2 2 236.319 0.784 20 0 BCADLP CNC(=O)CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867292 347707615 /nfs/dbraw/zinc/70/76/15/347707615.db2.gz OEYAISIPXNTOFQ-NSHDSACASA-N 2 2 236.319 0.656 20 0 BCADLP CNC(=O)CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867292 347707619 /nfs/dbraw/zinc/70/76/19/347707619.db2.gz OEYAISIPXNTOFQ-NSHDSACASA-N 2 2 236.319 0.656 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591868398 347708553 /nfs/dbraw/zinc/70/85/53/347708553.db2.gz ZJYBCBKRXIWHPK-LLVKDONJSA-N 2 2 236.319 0.608 20 0 BCADLP CN(C)C(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591868398 347708555 /nfs/dbraw/zinc/70/85/55/347708555.db2.gz ZJYBCBKRXIWHPK-LLVKDONJSA-N 2 2 236.319 0.608 20 0 BCADLP CSCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000591567799 347671027 /nfs/dbraw/zinc/67/10/27/347671027.db2.gz KHMHUHNLHXAPRS-MNOVXSKESA-N 2 2 230.377 0.706 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000308519873 347774242 /nfs/dbraw/zinc/77/42/42/347774242.db2.gz XGSAMHFZQZMGRJ-WCBMZHEXSA-N 2 2 200.282 0.219 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000308519873 347774243 /nfs/dbraw/zinc/77/42/43/347774243.db2.gz XGSAMHFZQZMGRJ-WCBMZHEXSA-N 2 2 200.282 0.219 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH2+]CCOC(C)(C)C)C1CC1 ZINC000308511811 347750660 /nfs/dbraw/zinc/75/06/60/347750660.db2.gz JQYKGOPVQIWTJN-LBPRGKRZSA-N 2 2 244.379 0.846 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCOC(C)(C)C)C1CC1 ZINC000308511811 347750662 /nfs/dbraw/zinc/75/06/62/347750662.db2.gz JQYKGOPVQIWTJN-LBPRGKRZSA-N 2 2 244.379 0.846 20 0 BCADLP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000401759860 347761492 /nfs/dbraw/zinc/76/14/92/347761492.db2.gz ULEHBOVGYBHGNY-GHMZBOCLSA-N 3 2 222.336 0.822 20 0 BCADLP COC(=O)[C@@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000592485202 347786572 /nfs/dbraw/zinc/78/65/72/347786572.db2.gz RDPFCAYWAQEESO-MRVPVSSYSA-N 2 2 200.282 0.361 20 0 BCADLP CCOC(=O)[C@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000592493601 347787327 /nfs/dbraw/zinc/78/73/27/347787327.db2.gz YOMJKURUYXBABF-WDEREUQCSA-N 2 2 226.320 0.623 20 0 BCADLP CCOC(=O)[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000592493601 347787332 /nfs/dbraw/zinc/78/73/32/347787332.db2.gz YOMJKURUYXBABF-WDEREUQCSA-N 2 2 226.320 0.623 20 0 BCADLP COC(=O)CC1([NH2+]C[C@H]2CCC[N@@H+]2C)CC1 ZINC000593057932 347848132 /nfs/dbraw/zinc/84/81/32/347848132.db2.gz YKQHBRZCMBZOOV-SNVBAGLBSA-N 2 2 226.320 0.766 20 0 BCADLP COC(=O)CC1([NH2+]C[C@H]2CCC[N@H+]2C)CC1 ZINC000593057932 347848134 /nfs/dbraw/zinc/84/81/34/347848134.db2.gz YKQHBRZCMBZOOV-SNVBAGLBSA-N 2 2 226.320 0.766 20 0 BCADLP O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cc[nH+]c1 ZINC000593098775 347855576 /nfs/dbraw/zinc/85/55/76/347855576.db2.gz DPCTZICHEVPGLL-AMJWSMQMSA-N 2 2 225.317 0.088 20 0 BCADLP O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2CCn1cc[nH+]c1 ZINC000593098775 347855579 /nfs/dbraw/zinc/85/55/79/347855579.db2.gz DPCTZICHEVPGLL-AMJWSMQMSA-N 2 2 225.317 0.088 20 0 BCADLP Cn1nccc1C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000577374648 365937888 /nfs/dbraw/zinc/93/78/88/365937888.db2.gz FXOJKSUZQBRXTK-LLVKDONJSA-N 2 2 208.309 0.637 20 0 BCADLP CSCCCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593908557 347969473 /nfs/dbraw/zinc/96/94/73/347969473.db2.gz AFWJJHRLBYOFAR-SNVBAGLBSA-N 2 2 247.408 0.525 20 0 BCADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCC(=O)N(C)C)C1 ZINC000594738932 348110425 /nfs/dbraw/zinc/11/04/25/348110425.db2.gz PWUXDKYNXMKRBP-GFCCVEGCSA-N 2 2 241.379 0.927 20 0 BCADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCC(=O)N(C)C)C1 ZINC000594738932 348110429 /nfs/dbraw/zinc/11/04/29/348110429.db2.gz PWUXDKYNXMKRBP-GFCCVEGCSA-N 2 2 241.379 0.927 20 0 BCADLP Cc1cccn2cc(CNC(=O)CC[NH3+])[nH+]c12 ZINC000083909180 179357500 /nfs/dbraw/zinc/35/75/00/179357500.db2.gz FYPPTTHFARPHOP-UHFFFAOYSA-N 2 2 232.287 0.608 20 0 BCADLP C[C@@H](C[S@@](C)=O)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000594943143 348144391 /nfs/dbraw/zinc/14/43/91/348144391.db2.gz NOWQGMXZLXKHTC-XXFAHNHDSA-N 2 2 241.360 0.686 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000594951196 348147739 /nfs/dbraw/zinc/14/77/39/348147739.db2.gz SVTFTEHUQNGKDF-HBNTYKKESA-N 2 2 240.347 0.868 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000594952910 348147922 /nfs/dbraw/zinc/14/79/22/348147922.db2.gz FCDZGZYALQHWPS-UKKRHICBSA-N 2 2 228.336 0.724 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000594920028 348154001 /nfs/dbraw/zinc/15/40/01/348154001.db2.gz RGSWHBCWXPWXDA-GMTAPVOTSA-N 2 2 237.303 0.670 20 0 BCADLP C[NH+]1CCC([NH2+]C[C@H](O)C(F)(F)F)CC1 ZINC000082680754 348318419 /nfs/dbraw/zinc/31/84/19/348318419.db2.gz XGORAEYEECXXHY-QMMMGPOBSA-N 2 2 226.242 0.593 20 0 BCADLP COc1nccnc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000419745861 192145337 /nfs/dbraw/zinc/14/53/37/192145337.db2.gz KTTNIBYAMQPASC-SNVBAGLBSA-N 2 2 238.335 0.773 20 0 BCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CCC1 ZINC000129952639 490184325 /nfs/dbraw/zinc/18/43/25/490184325.db2.gz JFBOVKZVFCURPR-NSHDSACASA-N 2 2 239.363 0.539 20 0 BCADLP COC(=O)[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c(C)n2C)C1 ZINC000597220143 348691432 /nfs/dbraw/zinc/69/14/32/348691432.db2.gz AJRAKSQZAQQBHL-AOOOYVTPSA-N 2 2 237.303 0.770 20 0 BCADLP CSCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597990551 348851311 /nfs/dbraw/zinc/85/13/11/348851311.db2.gz YFCFUEVMBWTGOT-UHFFFAOYSA-N 2 2 247.408 0.349 20 0 BCADLP CSCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597990551 348851314 /nfs/dbraw/zinc/85/13/14/348851314.db2.gz YFCFUEVMBWTGOT-UHFFFAOYSA-N 2 2 247.408 0.349 20 0 BCADLP COC(=O)CCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598684750 349015724 /nfs/dbraw/zinc/01/57/24/349015724.db2.gz YLORVQBGPOEPOJ-CMPLNLGQSA-N 2 2 226.320 0.753 20 0 BCADLP COC(=O)CCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598684750 349015726 /nfs/dbraw/zinc/01/57/26/349015726.db2.gz YLORVQBGPOEPOJ-CMPLNLGQSA-N 2 2 226.320 0.753 20 0 BCADLP COC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000308889130 349034214 /nfs/dbraw/zinc/03/42/14/349034214.db2.gz HANVELYKFKEVAA-ONGXEEELSA-N 2 2 212.293 0.220 20 0 BCADLP COC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000308889130 349034215 /nfs/dbraw/zinc/03/42/15/349034215.db2.gz HANVELYKFKEVAA-ONGXEEELSA-N 2 2 212.293 0.220 20 0 BCADLP C[N@@H+]1CCN(CCC(C)(C)C)[C@H](C[NH3+])C1 ZINC000250699633 349177735 /nfs/dbraw/zinc/17/77/35/349177735.db2.gz NTHQSCXXAFDIDB-LLVKDONJSA-N 2 2 213.369 0.997 20 0 BCADLP C[N@H+]1CCN(CCC(C)(C)C)[C@H](C[NH3+])C1 ZINC000250699633 349177737 /nfs/dbraw/zinc/17/77/37/349177737.db2.gz NTHQSCXXAFDIDB-LLVKDONJSA-N 2 2 213.369 0.997 20 0 BCADLP CN1CC[N@H+](CCC(C)(C)C)[C@H](C[NH3+])C1 ZINC000250699633 349177741 /nfs/dbraw/zinc/17/77/41/349177741.db2.gz NTHQSCXXAFDIDB-LLVKDONJSA-N 2 2 213.369 0.997 20 0 BCADLP CN1CC[N@@H+](CCC(C)(C)C)[C@H](C[NH3+])C1 ZINC000250699633 349177742 /nfs/dbraw/zinc/17/77/42/349177742.db2.gz NTHQSCXXAFDIDB-LLVKDONJSA-N 2 2 213.369 0.997 20 0 BCADLP COCC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000070650905 490230463 /nfs/dbraw/zinc/23/04/63/490230463.db2.gz IIVKUPGYJBOMHB-GFCCVEGCSA-N 2 2 228.336 0.333 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000249903135 349165801 /nfs/dbraw/zinc/16/58/01/349165801.db2.gz XFHSPAQFBQJSAM-MNOVXSKESA-N 2 2 227.352 0.714 20 0 BCADLP CCCCNC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000249903135 349165804 /nfs/dbraw/zinc/16/58/04/349165804.db2.gz XFHSPAQFBQJSAM-MNOVXSKESA-N 2 2 227.352 0.714 20 0 BCADLP C[C@@H]1C[C@@H](NC[C@@H]2COCC[NH2+]2)CC[N@@H+]1C ZINC000530222436 323218332 /nfs/dbraw/zinc/21/83/32/323218332.db2.gz NDXCEAYPBHDMNI-GRYCIOLGSA-N 2 2 227.352 0.047 20 0 BCADLP C[C@@H]1C[C@@H](NC[C@@H]2COCC[NH2+]2)CC[N@H+]1C ZINC000530222436 323218335 /nfs/dbraw/zinc/21/83/35/323218335.db2.gz NDXCEAYPBHDMNI-GRYCIOLGSA-N 2 2 227.352 0.047 20 0 BCADLP CSC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000300806255 349333785 /nfs/dbraw/zinc/33/37/85/349333785.db2.gz GJCHBBFDOQEMTD-JTQLQIEISA-N 2 2 230.377 0.802 20 0 BCADLP Cc1n[nH]cc1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000235810333 538038583 /nfs/dbraw/zinc/03/85/83/538038583.db2.gz PHOAWZQLSDIOSS-NSHDSACASA-N 2 2 208.309 0.950 20 0 BCADLP COC[C@@H](O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000601835843 349362808 /nfs/dbraw/zinc/36/28/08/349362808.db2.gz DTKSFXHTVPCBBZ-NEPJUHHUSA-N 2 2 239.319 0.527 20 0 BCADLP COC[C@@H](O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000601835843 349362809 /nfs/dbraw/zinc/36/28/09/349362809.db2.gz DTKSFXHTVPCBBZ-NEPJUHHUSA-N 2 2 239.319 0.527 20 0 BCADLP COC(=O)CCC[N@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000161167132 349382362 /nfs/dbraw/zinc/38/23/62/349382362.db2.gz RAQXQWPEHQEUQN-WDEREUQCSA-N 2 2 244.335 0.378 20 0 BCADLP COC(=O)CCC[N@@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000161167132 349382363 /nfs/dbraw/zinc/38/23/63/349382363.db2.gz RAQXQWPEHQEUQN-WDEREUQCSA-N 2 2 244.335 0.378 20 0 BCADLP Cc1ncccc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000131488412 191016608 /nfs/dbraw/zinc/01/66/08/191016608.db2.gz OJUIUZZXKMANIS-ZDUSSCGKSA-N 2 2 237.347 0.792 20 0 BCADLP CCC[C@H](O)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422713655 192439043 /nfs/dbraw/zinc/43/90/43/192439043.db2.gz PWWSENJXLBMCBJ-RWMBFGLXSA-N 2 2 242.363 0.504 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000147523148 538056974 /nfs/dbraw/zinc/05/69/74/538056974.db2.gz VEAFSSJROXGEDX-SRVKXCTJSA-N 2 2 241.379 0.960 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000147523148 538056977 /nfs/dbraw/zinc/05/69/77/538056977.db2.gz VEAFSSJROXGEDX-SRVKXCTJSA-N 2 2 241.379 0.960 20 0 BCADLP Cc1nc2n(n1)CC[N@H+](CCCn1cc[nH+]c1)C2 ZINC000367587188 180113213 /nfs/dbraw/zinc/11/32/13/180113213.db2.gz IIPTVMHWUVABLZ-UHFFFAOYSA-N 2 2 246.318 0.689 20 0 BCADLP Cc1nc2n(n1)CC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000367587188 180113215 /nfs/dbraw/zinc/11/32/15/180113215.db2.gz IIPTVMHWUVABLZ-UHFFFAOYSA-N 2 2 246.318 0.689 20 0 BCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)CC[NH3+] ZINC000040828678 180104780 /nfs/dbraw/zinc/10/47/80/180104780.db2.gz ZQJMNRCSICVHAL-UHFFFAOYSA-N 2 2 246.314 0.810 20 0 BCADLP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261541259 535115885 /nfs/dbraw/zinc/11/58/85/535115885.db2.gz BAQJLNJJFCQMGR-SRVKXCTJSA-N 2 2 239.363 0.585 20 0 BCADLP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261541259 535115891 /nfs/dbraw/zinc/11/58/91/535115891.db2.gz BAQJLNJJFCQMGR-SRVKXCTJSA-N 2 2 239.363 0.585 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](O)C1 ZINC000050103563 180251119 /nfs/dbraw/zinc/25/11/19/180251119.db2.gz SCXYXPOKETVFQT-NSHDSACASA-N 2 2 209.293 0.648 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](O)C1 ZINC000050103563 180251121 /nfs/dbraw/zinc/25/11/21/180251121.db2.gz SCXYXPOKETVFQT-NSHDSACASA-N 2 2 209.293 0.648 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1CO ZINC000050116955 180253023 /nfs/dbraw/zinc/25/30/23/180253023.db2.gz VNNWJCSVRLHIFK-LLVKDONJSA-N 2 2 209.293 0.648 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1CO ZINC000050116955 180253025 /nfs/dbraw/zinc/25/30/25/180253025.db2.gz VNNWJCSVRLHIFK-LLVKDONJSA-N 2 2 209.293 0.648 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@](C)(O)C1 ZINC000230070019 180253586 /nfs/dbraw/zinc/25/35/86/180253586.db2.gz JVBYKDSYYGHKFL-NSHDSACASA-N 2 2 209.293 0.648 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@](C)(O)C1 ZINC000230070019 180253589 /nfs/dbraw/zinc/25/35/89/180253589.db2.gz JVBYKDSYYGHKFL-NSHDSACASA-N 2 2 209.293 0.648 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000336705375 180254344 /nfs/dbraw/zinc/25/43/44/180254344.db2.gz JOHVITWIJAGIOH-UHFFFAOYSA-N 2 2 248.330 0.498 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000336705375 180254345 /nfs/dbraw/zinc/25/43/45/180254345.db2.gz JOHVITWIJAGIOH-UHFFFAOYSA-N 2 2 248.330 0.498 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000166104323 180255600 /nfs/dbraw/zinc/25/56/00/180255600.db2.gz XIMMDOKLZQASOD-ZYHUDNBSSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000166104323 180255602 /nfs/dbraw/zinc/25/56/02/180255602.db2.gz XIMMDOKLZQASOD-ZYHUDNBSSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351817083 180256575 /nfs/dbraw/zinc/25/65/75/180256575.db2.gz UIMHDYKBXWULFG-ONGXEEELSA-N 2 2 209.293 0.504 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351817083 180256577 /nfs/dbraw/zinc/25/65/77/180256577.db2.gz UIMHDYKBXWULFG-ONGXEEELSA-N 2 2 209.293 0.504 20 0 BCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C[NH+](C)C ZINC000263867387 180265039 /nfs/dbraw/zinc/26/50/39/180265039.db2.gz GWCHPJPKOZKONF-SNVBAGLBSA-N 2 2 238.335 0.505 20 0 BCADLP Cn1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000309257962 323332416 /nfs/dbraw/zinc/33/24/16/323332416.db2.gz GZZANNPBDJACLM-ZYHUDNBSSA-N 2 2 220.320 0.604 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC(=O)N(C)C)CC[N@@H+]1C ZINC000127803953 490559894 /nfs/dbraw/zinc/55/98/94/490559894.db2.gz JTZHQZNYOCJVMG-NXEZZACHSA-N 2 2 213.325 0.147 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC(=O)N(C)C)CC[N@H+]1C ZINC000127803953 490559899 /nfs/dbraw/zinc/55/98/99/490559899.db2.gz JTZHQZNYOCJVMG-NXEZZACHSA-N 2 2 213.325 0.147 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000384863180 350603075 /nfs/dbraw/zinc/60/30/75/350603075.db2.gz NHAGELUMZISGEL-XNWIYYODSA-N 2 2 213.325 0.323 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000384863180 350603081 /nfs/dbraw/zinc/60/30/81/350603081.db2.gz NHAGELUMZISGEL-XNWIYYODSA-N 2 2 213.325 0.323 20 0 BCADLP CCOC(=O)[C@H]1CCCC[N@H+](CC[NH3+])C1 ZINC000616605342 350794958 /nfs/dbraw/zinc/79/49/58/350794958.db2.gz YVKFSKJIJLEAQG-JTQLQIEISA-N 2 2 214.309 0.610 20 0 BCADLP CCOC(=O)[C@H]1CCCC[N@@H+](CC[NH3+])C1 ZINC000616605342 350794959 /nfs/dbraw/zinc/79/49/59/350794959.db2.gz YVKFSKJIJLEAQG-JTQLQIEISA-N 2 2 214.309 0.610 20 0 BCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC([NH3+])CC1 ZINC000034939767 351356035 /nfs/dbraw/zinc/35/60/35/351356035.db2.gz JIDSWRZMMGFQKT-SNVBAGLBSA-N 2 2 227.352 0.666 20 0 BCADLP CCN(CC)C(=O)[C@H](C)[NH+]1CCC([NH3+])CC1 ZINC000034939768 351356063 /nfs/dbraw/zinc/35/60/63/351356063.db2.gz JIDSWRZMMGFQKT-JTQLQIEISA-N 2 2 227.352 0.666 20 0 BCADLP O=C(NC[C@H]1CCCC[NH2+]1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000637815968 351655879 /nfs/dbraw/zinc/65/58/79/351655879.db2.gz IPCFFZPYQJZBDS-GMTAPVOTSA-N 2 2 248.330 0.772 20 0 BCADLP O=C(NC[C@H]1CCCC[NH2+]1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000637815968 351655882 /nfs/dbraw/zinc/65/58/82/351655882.db2.gz IPCFFZPYQJZBDS-GMTAPVOTSA-N 2 2 248.330 0.772 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000637834876 351688537 /nfs/dbraw/zinc/68/85/37/351688537.db2.gz AVMWUXKLSHYKKB-VIFPVBQESA-N 2 2 222.292 0.081 20 0 BCADLP CCc1c[nH]c(CC(=O)N2CC[NH2+][C@@H](C)C2)[nH+]1 ZINC000637841850 351698263 /nfs/dbraw/zinc/69/82/63/351698263.db2.gz QUWFVVOPWKEPLA-VIFPVBQESA-N 2 2 236.319 0.335 20 0 BCADLP C[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000637822587 351667610 /nfs/dbraw/zinc/66/76/10/351667610.db2.gz LKZXUGVCMMLXNG-SNVBAGLBSA-N 2 2 236.319 0.471 20 0 BCADLP C[NH2+][C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000637822586 351667641 /nfs/dbraw/zinc/66/76/41/351667641.db2.gz LKZXUGVCMMLXNG-JTQLQIEISA-N 2 2 236.319 0.471 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]([NH3+])C(C)C ZINC000637848839 351706025 /nfs/dbraw/zinc/70/60/25/351706025.db2.gz KWXLUJSWQKEJCP-VIFPVBQESA-N 2 2 224.308 0.360 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@H]([NH3+])C(C)C ZINC000637848839 351706030 /nfs/dbraw/zinc/70/60/30/351706030.db2.gz KWXLUJSWQKEJCP-VIFPVBQESA-N 2 2 224.308 0.360 20 0 BCADLP C[NH2+]CCC1CC[NH+](Cc2ncnn2C)CC1 ZINC000088580886 351819966 /nfs/dbraw/zinc/81/99/66/351819966.db2.gz SREUZGZRCRTPCA-UHFFFAOYSA-N 2 2 237.351 0.637 20 0 BCADLP CC[NH2+][C@H](C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000638062676 351935422 /nfs/dbraw/zinc/93/54/22/351935422.db2.gz OIVIPTAAMXOMDE-SNVBAGLBSA-N 2 2 225.336 0.291 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638072366 351944370 /nfs/dbraw/zinc/94/43/70/351944370.db2.gz FNHQRKAOHXLUSW-ONGXEEELSA-N 2 2 234.303 0.435 20 0 BCADLP CC[NH2+][C@@H](C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000638077888 351951328 /nfs/dbraw/zinc/95/13/28/351951328.db2.gz XTZXHPRWTBHUPF-MNOVXSKESA-N 2 2 238.335 0.633 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638099949 351980400 /nfs/dbraw/zinc/98/04/00/351980400.db2.gz WSWLOXZUPWACPO-LBPRGKRZSA-N 2 2 235.287 0.129 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000638151951 352012836 /nfs/dbraw/zinc/01/28/36/352012836.db2.gz BPWNMULCDRXUGM-VIFPVBQESA-N 2 2 222.292 0.114 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000638151951 352012838 /nfs/dbraw/zinc/01/28/38/352012838.db2.gz BPWNMULCDRXUGM-VIFPVBQESA-N 2 2 222.292 0.114 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000638139774 352005644 /nfs/dbraw/zinc/00/56/44/352005644.db2.gz ZIPKPLLSWHMWFA-NSHDSACASA-N 2 2 248.330 0.614 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000638204803 352067478 /nfs/dbraw/zinc/06/74/78/352067478.db2.gz FQYSPYAMXMWLAR-WCBMZHEXSA-N 2 2 236.319 0.469 20 0 BCADLP CCc1c[nH]c(CC(=O)NC[C@H]([NH3+])C2CC2)[nH+]1 ZINC000638152410 352016979 /nfs/dbraw/zinc/01/69/79/352016979.db2.gz FNYOTRDBIZPOKP-JTQLQIEISA-N 2 2 236.319 0.368 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000638158383 352022107 /nfs/dbraw/zinc/02/21/07/352022107.db2.gz PRLHYISTTKYLNZ-IUCAKERBSA-N 2 2 236.319 0.469 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000638158384 352022291 /nfs/dbraw/zinc/02/22/91/352022291.db2.gz PRLHYISTTKYLNZ-RKDXNWHRSA-N 2 2 236.319 0.469 20 0 BCADLP [NH3+]CC(F)(F)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638173840 352037660 /nfs/dbraw/zinc/03/76/60/352037660.db2.gz DNXARTMHKCJDIR-RNFRBKRXSA-N 2 2 244.245 0.223 20 0 BCADLP [NH3+]CC(F)(F)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638173840 352037663 /nfs/dbraw/zinc/03/76/63/352037663.db2.gz DNXARTMHKCJDIR-RNFRBKRXSA-N 2 2 244.245 0.223 20 0 BCADLP Cc1cc(C[NH3+])oc1C(=O)NCC(F)(F)C[NH3+] ZINC000638174821 352040855 /nfs/dbraw/zinc/04/08/55/352040855.db2.gz RVLCQWRBMNIVCS-UHFFFAOYSA-N 2 2 247.245 0.371 20 0 BCADLP CN(C)c1[nH+]cccc1CNC(=O)C(C)(C)[NH3+] ZINC000083928457 352083817 /nfs/dbraw/zinc/08/38/17/352083817.db2.gz CVPIZADGNNHLQZ-UHFFFAOYSA-N 2 2 236.319 0.501 20 0 BCADLP CC[NH2+][C@H](C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000638270414 352108176 /nfs/dbraw/zinc/10/81/76/352108176.db2.gz DSJDAKRWLJUOND-SECBINFHSA-N 2 2 224.308 0.377 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000638336759 352155290 /nfs/dbraw/zinc/15/52/90/352155290.db2.gz XGDHVNMTKHEZJG-JTQLQIEISA-N 2 2 238.335 0.750 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000638336759 352155293 /nfs/dbraw/zinc/15/52/93/352155293.db2.gz XGDHVNMTKHEZJG-JTQLQIEISA-N 2 2 238.335 0.750 20 0 BCADLP CC(C)C[C@@H](C(=O)N(C)CC[NH3+])n1cc[nH+]c1 ZINC000638341901 352161852 /nfs/dbraw/zinc/16/18/52/352161852.db2.gz CYIHIJYNBYXZAR-NSHDSACASA-N 2 2 238.335 0.887 20 0 BCADLP CCc1c[nH]c(CC(=O)N[C@@H](C)C[C@H](C)[NH3+])[nH+]1 ZINC000638370445 352181347 /nfs/dbraw/zinc/18/13/47/352181347.db2.gz YBHORJMGDURPOC-IUCAKERBSA-N 2 2 238.335 0.757 20 0 BCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H](C[NH3+])C1CC1 ZINC000638329926 352149853 /nfs/dbraw/zinc/14/98/53/352149853.db2.gz XJJZRTVXQYSEOI-FOGDFJRCSA-N 2 2 248.330 0.709 20 0 BCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H](C[NH3+])C1CC1 ZINC000638329926 352149856 /nfs/dbraw/zinc/14/98/56/352149856.db2.gz XJJZRTVXQYSEOI-FOGDFJRCSA-N 2 2 248.330 0.709 20 0 BCADLP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638403910 352210340 /nfs/dbraw/zinc/21/03/40/352210340.db2.gz QRBJBNPNQZMTFH-RKDXNWHRSA-N 2 2 236.319 0.709 20 0 BCADLP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638403910 352210345 /nfs/dbraw/zinc/21/03/45/352210345.db2.gz QRBJBNPNQZMTFH-RKDXNWHRSA-N 2 2 236.319 0.709 20 0 BCADLP CCc1c[nH]c(CC(=O)N2CC3CC2(C[NH3+])C3)[nH+]1 ZINC000638418071 352227445 /nfs/dbraw/zinc/22/74/45/352227445.db2.gz LDFFZDDIZAZIJV-UHFFFAOYSA-N 2 2 248.330 0.464 20 0 BCADLP CCn1ncnc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000638437585 352244916 /nfs/dbraw/zinc/24/49/16/352244916.db2.gz OQQYYXYORWGSCN-NSHDSACASA-N 2 2 248.334 0.920 20 0 BCADLP CCc1c[nH]c(CC(=O)N[C@]2(C)CC[NH2+]C2)[nH+]1 ZINC000638441276 352247683 /nfs/dbraw/zinc/24/76/83/352247683.db2.gz URYMVUPKVFXIHZ-GFCCVEGCSA-N 2 2 236.319 0.383 20 0 BCADLP COC[C@@]1(C[NH2+]Cc2cccnc2)CCC[NH2+]1 ZINC000414947158 352370473 /nfs/dbraw/zinc/37/04/73/352370473.db2.gz USDDRWQUNNAMJL-ZDUSSCGKSA-N 2 2 235.331 0.940 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638641695 352485504 /nfs/dbraw/zinc/48/55/04/352485504.db2.gz TYSIWRQOXKVSFK-WPRPVWTQSA-N 2 2 236.319 0.517 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638641695 352485507 /nfs/dbraw/zinc/48/55/07/352485507.db2.gz TYSIWRQOXKVSFK-WPRPVWTQSA-N 2 2 236.319 0.517 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000042166334 352614676 /nfs/dbraw/zinc/61/46/76/352614676.db2.gz LIWGUIOQNJQFNW-WDEREUQCSA-N 2 2 236.319 0.530 20 0 BCADLP CC[C@@H]1C[C@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000638723736 352575572 /nfs/dbraw/zinc/57/55/72/352575572.db2.gz WXROZQJVJKHNNR-OPRDCNLKSA-N 2 2 213.325 0.180 20 0 BCADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000042409206 352622467 /nfs/dbraw/zinc/62/24/67/352622467.db2.gz DIXQKVXKIIFWOU-JTQLQIEISA-N 2 2 227.352 0.572 20 0 BCADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000042409206 352622470 /nfs/dbraw/zinc/62/24/70/352622470.db2.gz DIXQKVXKIIFWOU-JTQLQIEISA-N 2 2 227.352 0.572 20 0 BCADLP C[N@@H+](CC(=O)NC1CC1)C[C@H]1CCC[NH2+]C1 ZINC000043493660 352637322 /nfs/dbraw/zinc/63/73/22/352637322.db2.gz DWHOGDKTBLIVMB-JTQLQIEISA-N 2 2 225.336 0.196 20 0 BCADLP C[N@H+](CC(=O)NC1CC1)C[C@H]1CCC[NH2+]C1 ZINC000043493660 352637325 /nfs/dbraw/zinc/63/73/25/352637325.db2.gz DWHOGDKTBLIVMB-JTQLQIEISA-N 2 2 225.336 0.196 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2CC[NH2+][C@H]2C)c[nH+]1 ZINC000638768311 352706020 /nfs/dbraw/zinc/70/60/20/352706020.db2.gz VHCQBZSUATYEBS-POYBYMJQSA-N 2 2 208.265 0.198 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000638772447 352714783 /nfs/dbraw/zinc/71/47/83/352714783.db2.gz AACFAXQDKYDTRP-GARJFASQSA-N 2 2 248.330 0.312 20 0 BCADLP CC(C)CNC(=O)[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342149865 352739060 /nfs/dbraw/zinc/73/90/60/352739060.db2.gz YVHILDUPHSKICC-SNVBAGLBSA-N 2 2 227.352 0.618 20 0 BCADLP C[C@@H]1[C@@H](CO)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000412068159 191251881 /nfs/dbraw/zinc/25/18/81/191251881.db2.gz DYLYPJMGVVAPFA-VXGBXAGGSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H]1[C@@H](CO)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000412068159 191251882 /nfs/dbraw/zinc/25/18/82/191251882.db2.gz DYLYPJMGVVAPFA-VXGBXAGGSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H]1[C@H](CO)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000412068151 191251952 /nfs/dbraw/zinc/25/19/52/191251952.db2.gz DYLYPJMGVVAPFA-NEPJUHHUSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H]1[C@H](CO)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000412068151 191251954 /nfs/dbraw/zinc/25/19/54/191251954.db2.gz DYLYPJMGVVAPFA-NEPJUHHUSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H](C[NH2+]CC(C)(C)N1CCOCC1)[NH+](C)C ZINC000638864740 353038341 /nfs/dbraw/zinc/03/83/41/353038341.db2.gz CKSBTYINGONCSB-GFCCVEGCSA-N 2 2 243.395 0.637 20 0 BCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000638864672 353038551 /nfs/dbraw/zinc/03/85/51/353038551.db2.gz BKZDUQJSQRCNJE-UTUOFQBUSA-N 2 2 241.379 0.973 20 0 BCADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000638871818 353043174 /nfs/dbraw/zinc/04/31/74/353043174.db2.gz NYJDRDQNAKUHLH-RYUDHWBXSA-N 2 2 239.363 0.587 20 0 BCADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000638871818 353043176 /nfs/dbraw/zinc/04/31/76/353043176.db2.gz NYJDRDQNAKUHLH-RYUDHWBXSA-N 2 2 239.363 0.587 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638928542 353098301 /nfs/dbraw/zinc/09/83/01/353098301.db2.gz AUEXPQCVRNRQSN-IONNQARKSA-N 2 2 222.292 0.209 20 0 BCADLP CC(C)[C@H](CO)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336691114 188011736 /nfs/dbraw/zinc/01/17/36/188011736.db2.gz PDBZRTDKDNOHDZ-DCAQKATOSA-N 2 2 200.326 0.543 20 0 BCADLP CC(C)[C@H](CO)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336691114 188011738 /nfs/dbraw/zinc/01/17/38/188011738.db2.gz PDBZRTDKDNOHDZ-DCAQKATOSA-N 2 2 200.326 0.543 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)c[nH+]1 ZINC000638950266 353153859 /nfs/dbraw/zinc/15/38/59/353153859.db2.gz OVDNWUNOOKVUPK-MGCOHNPYSA-N 2 2 236.319 0.965 20 0 BCADLP C[C@H](CC1CCC1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000638996291 353232345 /nfs/dbraw/zinc/23/23/45/353232345.db2.gz KTLRXVMIYIGZPA-PWSUYJOCSA-N 2 2 241.379 0.960 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC(C)(F)CC1 ZINC000638994539 353234194 /nfs/dbraw/zinc/23/41/94/353234194.db2.gz MOISUOBDBAAJAO-JTQLQIEISA-N 2 2 245.342 0.616 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000639016637 353273829 /nfs/dbraw/zinc/27/38/29/353273829.db2.gz MCRXFSFUWBQRLW-ZKCHVHJHSA-N 2 2 208.265 0.105 20 0 BCADLP CCC[NH2+][C@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000639016638 353273877 /nfs/dbraw/zinc/27/38/77/353273877.db2.gz MDDZKOQTAYXRAZ-SECBINFHSA-N 2 2 224.308 0.756 20 0 BCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)CC[C@H]1[NH3+] ZINC000251715075 353286814 /nfs/dbraw/zinc/28/68/14/353286814.db2.gz JQOGYAOLMCMIOM-VXGBXAGGSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)CC[C@H]1[NH3+] ZINC000251715075 353286818 /nfs/dbraw/zinc/28/68/18/353286818.db2.gz JQOGYAOLMCMIOM-VXGBXAGGSA-N 2 2 239.363 0.668 20 0 BCADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000251848656 353292714 /nfs/dbraw/zinc/29/27/14/353292714.db2.gz MQJSRYNZBJWTQO-BJDJZHNGSA-N 2 2 241.379 0.959 20 0 BCADLP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000251848656 353292715 /nfs/dbraw/zinc/29/27/15/353292715.db2.gz MQJSRYNZBJWTQO-BJDJZHNGSA-N 2 2 241.379 0.959 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000036300503 188278656 /nfs/dbraw/zinc/27/86/56/188278656.db2.gz WGDDKKXHAYIFTC-NSHDSACASA-N 2 2 241.379 0.831 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000036300503 188278658 /nfs/dbraw/zinc/27/86/58/188278658.db2.gz WGDDKKXHAYIFTC-NSHDSACASA-N 2 2 241.379 0.831 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)c[nH+]1 ZINC000639031179 353298414 /nfs/dbraw/zinc/29/84/14/353298414.db2.gz OJUIXGSNWAMCHY-KYZUINATSA-N 2 2 222.292 0.718 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1CCCO1 ZINC000252969332 353314058 /nfs/dbraw/zinc/31/40/58/353314058.db2.gz WBNMYBCBMQGFOT-IJLUTSLNSA-N 2 2 228.336 0.522 20 0 BCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccns2)C1 ZINC000639049043 353340720 /nfs/dbraw/zinc/34/07/20/353340720.db2.gz GXZFOSCHLACVIM-JTQLQIEISA-N 2 2 227.333 0.299 20 0 BCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccns2)C1 ZINC000639049043 353340723 /nfs/dbraw/zinc/34/07/23/353340723.db2.gz GXZFOSCHLACVIM-JTQLQIEISA-N 2 2 227.333 0.299 20 0 BCADLP Cn1nccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000085282256 538115976 /nfs/dbraw/zinc/11/59/76/538115976.db2.gz XSSPBIXDSAQIHE-NXEZZACHSA-N 2 2 206.293 0.071 20 0 BCADLP C[C@H]1C[N@H+](C)CCN1CCn1cc[nH+]c1 ZINC000336647307 188357870 /nfs/dbraw/zinc/35/78/70/188357870.db2.gz LZBGINPYNVQRKV-NSHDSACASA-N 2 2 208.309 0.519 20 0 BCADLP CC(C)[C@H](CO)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336760137 188349244 /nfs/dbraw/zinc/34/92/44/188349244.db2.gz LZEXGYYHTHPBJC-GRYCIOLGSA-N 2 2 214.353 0.791 20 0 BCADLP CC(C)[C@H](CO)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336760137 188349246 /nfs/dbraw/zinc/34/92/46/188349246.db2.gz LZEXGYYHTHPBJC-GRYCIOLGSA-N 2 2 214.353 0.791 20 0 BCADLP C/C=C\C[C@H](CO)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336766959 188352693 /nfs/dbraw/zinc/35/26/93/188352693.db2.gz SPXXHSSOLIGTJM-PWUVMTTMSA-N 2 2 212.337 0.853 20 0 BCADLP C/C=C\C[C@H](CO)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336766959 188352695 /nfs/dbraw/zinc/35/26/95/188352695.db2.gz SPXXHSSOLIGTJM-PWUVMTTMSA-N 2 2 212.337 0.853 20 0 BCADLP CC1(C)NC(=O)CC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000338599748 188366546 /nfs/dbraw/zinc/36/65/46/188366546.db2.gz PUHGFAVKUGVQLQ-JTQLQIEISA-N 2 2 236.319 0.530 20 0 BCADLP Cn1c[nH+]cc1CC(=O)NC1CC([NH+](C)C)C1 ZINC000622008307 370660812 /nfs/dbraw/zinc/66/08/12/370660812.db2.gz HPEJUKXHTCZEDA-UHFFFAOYSA-N 2 2 236.319 0.171 20 0 BCADLP Cn1nncc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000343740774 353969388 /nfs/dbraw/zinc/96/93/88/353969388.db2.gz PGBWRQBFPCFXDJ-UHFFFAOYSA-N 2 2 249.362 0.922 20 0 BCADLP C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)c1[nH+]ccn1C ZINC000627117261 363282258 /nfs/dbraw/zinc/28/22/58/363282258.db2.gz FTGMFSPMOVRGBX-RKDXNWHRSA-N 2 2 237.307 0.142 20 0 BCADLP CC(=O)N1CC[N@H+](C[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000334572942 354102585 /nfs/dbraw/zinc/10/25/85/354102585.db2.gz ZWRPQGNUPVXTOL-DGCLKSJQSA-N 2 2 239.363 0.539 20 0 BCADLP CC(=O)N1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000334572942 354102589 /nfs/dbraw/zinc/10/25/89/354102589.db2.gz ZWRPQGNUPVXTOL-DGCLKSJQSA-N 2 2 239.363 0.539 20 0 BCADLP C[C@@H]1C[C@H](CO)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000344162172 354168293 /nfs/dbraw/zinc/16/82/93/354168293.db2.gz ZANNTXXMKVZNCP-VXGBXAGGSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H]1C[C@H](CO)CC[N@H+]1CCn1cc[nH+]c1 ZINC000344162172 354168295 /nfs/dbraw/zinc/16/82/95/354168295.db2.gz ZANNTXXMKVZNCP-VXGBXAGGSA-N 2 2 223.320 0.976 20 0 BCADLP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC([NH3+])C1 ZINC000623179074 354146082 /nfs/dbraw/zinc/14/60/82/354146082.db2.gz VQGRRPQRQCTQEH-WHXUTIOJSA-N 2 2 248.330 0.394 20 0 BCADLP CNC(=O)[C@@H]1CCCC[N@@H+]1CCC[NH2+]C ZINC000230895625 363327305 /nfs/dbraw/zinc/32/73/05/363327305.db2.gz GFVXMFVYIQLPHV-JTQLQIEISA-N 2 2 213.325 0.196 20 0 BCADLP CNC(=O)[C@@H]1CCCC[N@H+]1CCC[NH2+]C ZINC000230895625 363327307 /nfs/dbraw/zinc/32/73/07/363327307.db2.gz GFVXMFVYIQLPHV-JTQLQIEISA-N 2 2 213.325 0.196 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)C1 ZINC000449747370 202018895 /nfs/dbraw/zinc/01/88/95/202018895.db2.gz WNIBBBNIABUWNA-NNYUYHANSA-N 2 2 239.363 0.570 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)C1 ZINC000449747370 202018899 /nfs/dbraw/zinc/01/88/99/202018899.db2.gz WNIBBBNIABUWNA-NNYUYHANSA-N 2 2 239.363 0.570 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000449734763 202012057 /nfs/dbraw/zinc/01/20/57/202012057.db2.gz DINCOKQZWUPHLK-NNYUYHANSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000449734763 202012059 /nfs/dbraw/zinc/01/20/59/202012059.db2.gz DINCOKQZWUPHLK-NNYUYHANSA-N 2 2 212.337 0.687 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)C1 ZINC000449747369 202017255 /nfs/dbraw/zinc/01/72/55/202017255.db2.gz WNIBBBNIABUWNA-KXNHARMFSA-N 2 2 239.363 0.570 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)C1 ZINC000449747369 202017258 /nfs/dbraw/zinc/01/72/58/202017258.db2.gz WNIBBBNIABUWNA-KXNHARMFSA-N 2 2 239.363 0.570 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@](C)(O)CCOC)C1 ZINC000344316349 354222004 /nfs/dbraw/zinc/22/20/04/354222004.db2.gz JWECGUVMQHPMQX-YNEHKIRRSA-N 2 2 244.379 0.704 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@](C)(O)CCOC)C1 ZINC000344316349 354222005 /nfs/dbraw/zinc/22/20/05/354222005.db2.gz JWECGUVMQHPMQX-YNEHKIRRSA-N 2 2 244.379 0.704 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(C(N)=O)nc1 ZINC000344974358 354386541 /nfs/dbraw/zinc/38/65/41/354386541.db2.gz PBJKLILWLSZTOP-BXKDBHETSA-N 2 2 248.330 0.220 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(C(N)=O)nc1 ZINC000344974358 354386543 /nfs/dbraw/zinc/38/65/43/354386543.db2.gz PBJKLILWLSZTOP-BXKDBHETSA-N 2 2 248.330 0.220 20 0 BCADLP Cn1cc(C[C@H]2CC[N@H+](CC[NH3+])C2)cn1 ZINC000578016615 366182460 /nfs/dbraw/zinc/18/24/60/366182460.db2.gz DVMKIBWPGJJRCN-SNVBAGLBSA-N 2 2 208.309 0.243 20 0 BCADLP Cn1cc(C[C@H]2CC[N@@H+](CC[NH3+])C2)cn1 ZINC000578016615 366182463 /nfs/dbraw/zinc/18/24/63/366182463.db2.gz DVMKIBWPGJJRCN-SNVBAGLBSA-N 2 2 208.309 0.243 20 0 BCADLP COC(=O)[C@@H](C)[N@H+](C)CCCc1c[nH+]cn1C ZINC000578022870 366187515 /nfs/dbraw/zinc/18/75/15/366187515.db2.gz GOHFKLRLFQOUQD-SNVBAGLBSA-N 2 2 239.319 0.846 20 0 BCADLP COC(=O)[C@@H](C)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000578022870 366187523 /nfs/dbraw/zinc/18/75/23/366187523.db2.gz GOHFKLRLFQOUQD-SNVBAGLBSA-N 2 2 239.319 0.846 20 0 BCADLP OC1(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000578065164 366213083 /nfs/dbraw/zinc/21/30/83/366213083.db2.gz MJKOQXWCDHNDFC-VIFPVBQESA-N 2 2 221.304 0.772 20 0 BCADLP OC1(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000578065164 366213087 /nfs/dbraw/zinc/21/30/87/366213087.db2.gz MJKOQXWCDHNDFC-VIFPVBQESA-N 2 2 221.304 0.772 20 0 BCADLP O=C1C[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CCCN1 ZINC000639191380 354509879 /nfs/dbraw/zinc/50/98/79/354509879.db2.gz ITYXYCIOORCTDZ-UWVGGRQHSA-N 2 2 248.330 0.525 20 0 BCADLP O=C1C[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CCCN1 ZINC000639191380 354509881 /nfs/dbraw/zinc/50/98/81/354509881.db2.gz ITYXYCIOORCTDZ-UWVGGRQHSA-N 2 2 248.330 0.525 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000334743449 354546723 /nfs/dbraw/zinc/54/67/23/354546723.db2.gz XNQUVHXUEOTBRZ-NSHDSACASA-N 2 2 225.336 0.289 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000334743449 354546726 /nfs/dbraw/zinc/54/67/26/354546726.db2.gz XNQUVHXUEOTBRZ-NSHDSACASA-N 2 2 225.336 0.289 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NCCCn1cc[nH+]c1 ZINC000345632884 354719290 /nfs/dbraw/zinc/71/92/90/354719290.db2.gz BUVWSDBVNMWIDL-UHFFFAOYSA-N 2 2 247.302 0.664 20 0 BCADLP C[N@H+](CCC[NH3+])CC(=O)Nc1ccccc1 ZINC000019834759 354800631 /nfs/dbraw/zinc/80/06/31/354800631.db2.gz OYGWCFIFBKMTQP-UHFFFAOYSA-N 2 2 221.304 0.906 20 0 BCADLP C[N@@H+](CCC[NH3+])CC(=O)Nc1ccccc1 ZINC000019834759 354800635 /nfs/dbraw/zinc/80/06/35/354800635.db2.gz OYGWCFIFBKMTQP-UHFFFAOYSA-N 2 2 221.304 0.906 20 0 BCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C[NH+](C)C ZINC000335206419 355042237 /nfs/dbraw/zinc/04/22/37/355042237.db2.gz BJIPLUKUQMPXFK-UWVGGRQHSA-N 2 2 213.325 0.099 20 0 BCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C[NH+](C)C ZINC000335206419 355042240 /nfs/dbraw/zinc/04/22/40/355042240.db2.gz BJIPLUKUQMPXFK-UWVGGRQHSA-N 2 2 213.325 0.099 20 0 BCADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000346671835 355008406 /nfs/dbraw/zinc/00/84/06/355008406.db2.gz VWWABARGYJNPFI-GFCCVEGCSA-N 2 2 243.314 0.800 20 0 BCADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000346671835 355008408 /nfs/dbraw/zinc/00/84/08/355008408.db2.gz VWWABARGYJNPFI-GFCCVEGCSA-N 2 2 243.314 0.800 20 0 BCADLP CN(C)c1ncc(C[NH+]2CCC([NH3+])CC2)cn1 ZINC000346677025 355010058 /nfs/dbraw/zinc/01/00/58/355010058.db2.gz YXBODPFGGTTZFL-UHFFFAOYSA-N 2 2 235.335 0.466 20 0 BCADLP COC(=O)c1coc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000346651355 355018752 /nfs/dbraw/zinc/01/87/52/355018752.db2.gz OFUFDUSBMKPVJV-UHFFFAOYSA-N 2 2 238.287 0.989 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000335230430 355073273 /nfs/dbraw/zinc/07/32/73/355073273.db2.gz VAIFCDPAPYIRIH-NEPJUHHUSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000335230430 355073275 /nfs/dbraw/zinc/07/32/75/355073275.db2.gz VAIFCDPAPYIRIH-NEPJUHHUSA-N 2 2 239.363 0.668 20 0 BCADLP CCC[N@H+](CC(=O)NC)C[C@@]1(C)CC[NH2+]C1 ZINC000261964551 535280344 /nfs/dbraw/zinc/28/03/44/535280344.db2.gz HQHANEULKZSJMD-LBPRGKRZSA-N 2 2 227.352 0.444 20 0 BCADLP CCC[N@@H+](CC(=O)NC)C[C@@]1(C)CC[NH2+]C1 ZINC000261964551 535280349 /nfs/dbraw/zinc/28/03/49/535280349.db2.gz HQHANEULKZSJMD-LBPRGKRZSA-N 2 2 227.352 0.444 20 0 BCADLP FC(F)CN1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346850038 355137493 /nfs/dbraw/zinc/13/74/93/355137493.db2.gz PDEYAAXQKPGOTK-NSHDSACASA-N 2 2 247.333 0.869 20 0 BCADLP CC(C)C(=O)N[C@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000346856782 355140269 /nfs/dbraw/zinc/14/02/69/355140269.db2.gz WKDHIEFHFNOFCR-NSHDSACASA-N 2 2 241.379 0.960 20 0 BCADLP CC(C)C(=O)N[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000346856782 355140271 /nfs/dbraw/zinc/14/02/71/355140271.db2.gz WKDHIEFHFNOFCR-NSHDSACASA-N 2 2 241.379 0.960 20 0 BCADLP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@H](C)[NH+](C)C ZINC000639233207 355214811 /nfs/dbraw/zinc/21/48/11/355214811.db2.gz BKZDUQJSQRCNJE-SRVKXCTJSA-N 2 2 241.379 0.973 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000347001828 355200006 /nfs/dbraw/zinc/20/00/06/355200006.db2.gz IGVJSSSSUVZSGE-LBPRGKRZSA-N 2 2 241.379 0.378 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000347001828 355200007 /nfs/dbraw/zinc/20/00/07/355200007.db2.gz IGVJSSSSUVZSGE-LBPRGKRZSA-N 2 2 241.379 0.378 20 0 BCADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)[nH]1 ZINC000347015477 355205586 /nfs/dbraw/zinc/20/55/86/355205586.db2.gz JNUXVTLJMVWRFH-SECBINFHSA-N 2 2 237.303 0.582 20 0 BCADLP COC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)[nH]1 ZINC000347015477 355205592 /nfs/dbraw/zinc/20/55/92/355205592.db2.gz JNUXVTLJMVWRFH-SECBINFHSA-N 2 2 237.303 0.582 20 0 BCADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NC ZINC000639241698 355228402 /nfs/dbraw/zinc/22/84/02/355228402.db2.gz LMVFWIQIGKWRHI-DCAQKATOSA-N 2 2 227.352 0.583 20 0 BCADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)NC ZINC000639241698 355228404 /nfs/dbraw/zinc/22/84/04/355228404.db2.gz LMVFWIQIGKWRHI-DCAQKATOSA-N 2 2 227.352 0.583 20 0 BCADLP CC(C)C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000335280590 355244741 /nfs/dbraw/zinc/24/47/41/355244741.db2.gz WQRGIQXRYUAUSB-NWDGAFQWSA-N 2 2 222.336 0.803 20 0 BCADLP CC(C)C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000335280590 355244743 /nfs/dbraw/zinc/24/47/43/355244743.db2.gz WQRGIQXRYUAUSB-NWDGAFQWSA-N 2 2 222.336 0.803 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC000113513282 355250280 /nfs/dbraw/zinc/25/02/80/355250280.db2.gz VOGRBVLAQUJGJP-LBPRGKRZSA-N 2 2 239.363 0.492 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000113513282 355250281 /nfs/dbraw/zinc/25/02/81/355250281.db2.gz VOGRBVLAQUJGJP-LBPRGKRZSA-N 2 2 239.363 0.492 20 0 BCADLP CO[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000639258784 355304014 /nfs/dbraw/zinc/30/40/14/355304014.db2.gz MYTQSUCQZSOGGI-NOOOWODRSA-N 2 2 228.336 0.473 20 0 BCADLP CO[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000639258784 355304016 /nfs/dbraw/zinc/30/40/16/355304016.db2.gz MYTQSUCQZSOGGI-NOOOWODRSA-N 2 2 228.336 0.473 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@H]2C[C@@H](O)C2)n1C ZINC000623748902 355277037 /nfs/dbraw/zinc/27/70/37/355277037.db2.gz NIKTZEPVTQQARS-JGZJWPJOSA-N 2 2 209.293 0.589 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)C[N@@H+]1C1CC1 ZINC000623749877 355369461 /nfs/dbraw/zinc/36/94/61/355369461.db2.gz RZDIIZNMEDFFCB-DCQANWLSSA-N 2 2 224.348 0.972 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)C[N@H+]1C1CC1 ZINC000623749877 355369465 /nfs/dbraw/zinc/36/94/65/355369465.db2.gz RZDIIZNMEDFFCB-DCQANWLSSA-N 2 2 224.348 0.972 20 0 BCADLP C[C@H]1C[C@H](O)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000314638118 355359099 /nfs/dbraw/zinc/35/90/99/355359099.db2.gz UNLTZQONBQVSLW-JQWIXIFHSA-N 2 2 223.320 0.808 20 0 BCADLP C[C@H]1C[C@H](O)C[N@H+]1CCCc1c[nH+]cn1C ZINC000314638118 355359103 /nfs/dbraw/zinc/35/91/03/355359103.db2.gz UNLTZQONBQVSLW-JQWIXIFHSA-N 2 2 223.320 0.808 20 0 BCADLP CN1CC[C@@H]([N@@H+]2CCC[C@H]([NH+](C)C)CC2)C1=O ZINC000335774902 355400006 /nfs/dbraw/zinc/40/00/06/355400006.db2.gz WDMTUUQIYRXAQF-NWDGAFQWSA-N 2 2 239.363 0.633 20 0 BCADLP CN1CC[C@@H]([N@H+]2CCC[C@H]([NH+](C)C)CC2)C1=O ZINC000335774902 355400009 /nfs/dbraw/zinc/40/00/09/355400009.db2.gz WDMTUUQIYRXAQF-NWDGAFQWSA-N 2 2 239.363 0.633 20 0 BCADLP NC(=[NH2+])NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000263943928 181191293 /nfs/dbraw/zinc/19/12/93/181191293.db2.gz DWBVVEQTZDKZPG-LBPRGKRZSA-N 2 2 248.330 0.370 20 0 BCADLP NC(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000263943928 181191296 /nfs/dbraw/zinc/19/12/96/181191296.db2.gz DWBVVEQTZDKZPG-LBPRGKRZSA-N 2 2 248.330 0.370 20 0 BCADLP CCn1cc(C[NH2+]C[C@H]([NH3+])C(C)C)cn1 ZINC000414799470 191573668 /nfs/dbraw/zinc/57/36/68/191573668.db2.gz RJJIVISNFMPIMR-NSHDSACASA-N 2 2 210.325 0.976 20 0 BCADLP [NH2+]=C(NCc1c[nH+]c2n1CCCC2)NC1CC1 ZINC000370292949 181198967 /nfs/dbraw/zinc/19/89/67/181198967.db2.gz AUOXXPLOLLERAQ-UHFFFAOYSA-N 2 2 233.319 0.996 20 0 BCADLP CNC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000335831067 355557411 /nfs/dbraw/zinc/55/74/11/355557411.db2.gz CTRXKWFQMCLZIF-JTQLQIEISA-N 2 2 213.325 0.149 20 0 BCADLP CNC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000335831067 355557413 /nfs/dbraw/zinc/55/74/13/355557413.db2.gz CTRXKWFQMCLZIF-JTQLQIEISA-N 2 2 213.325 0.149 20 0 BCADLP [NH2+]=C(NO)[C@@H]1CCCCN1CCn1cc[nH+]c1 ZINC000368527804 181199684 /nfs/dbraw/zinc/19/96/84/181199684.db2.gz VPMJYHGJNNWXAM-JTQLQIEISA-N 2 2 237.307 0.694 20 0 BCADLP C[C@@H]1[C@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC[N@@H+]1C ZINC000623255476 355859677 /nfs/dbraw/zinc/85/96/77/355859677.db2.gz JAEYNLHYRXPJLW-JFGNBEQYSA-N 2 2 248.330 0.264 20 0 BCADLP C[C@@H]1[C@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC[N@H+]1C ZINC000623255476 355859682 /nfs/dbraw/zinc/85/96/82/355859682.db2.gz JAEYNLHYRXPJLW-JFGNBEQYSA-N 2 2 248.330 0.264 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCSCC1 ZINC000389293011 355959271 /nfs/dbraw/zinc/95/92/71/355959271.db2.gz IUPOQQDHUGMDHK-JTQLQIEISA-N 2 2 218.366 0.348 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCSCC1 ZINC000389293011 355959273 /nfs/dbraw/zinc/95/92/73/355959273.db2.gz IUPOQQDHUGMDHK-JTQLQIEISA-N 2 2 218.366 0.348 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCSCC1 ZINC000389293012 355959303 /nfs/dbraw/zinc/95/93/03/355959303.db2.gz IUPOQQDHUGMDHK-SNVBAGLBSA-N 2 2 218.366 0.348 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCSCC1 ZINC000389293012 355959307 /nfs/dbraw/zinc/95/93/07/355959307.db2.gz IUPOQQDHUGMDHK-SNVBAGLBSA-N 2 2 218.366 0.348 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)COC(C)C)C1 ZINC000389307169 355961018 /nfs/dbraw/zinc/96/10/18/355961018.db2.gz FNHPGQPCDPZZLN-VXGBXAGGSA-N 2 2 230.352 0.456 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)COC(C)C)C1 ZINC000389307169 355961019 /nfs/dbraw/zinc/96/10/19/355961019.db2.gz FNHPGQPCDPZZLN-VXGBXAGGSA-N 2 2 230.352 0.456 20 0 BCADLP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)C(C)(C)[NH3+])C2 ZINC000167152997 355962009 /nfs/dbraw/zinc/96/20/09/355962009.db2.gz ADPWBELXHAYIQO-SECBINFHSA-N 2 2 236.319 0.360 20 0 BCADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccnn1C ZINC000192250619 356078484 /nfs/dbraw/zinc/07/84/84/356078484.db2.gz KRKHQBRMLVFCHN-JTQLQIEISA-N 2 2 219.292 0.967 20 0 BCADLP C[NH+](C)C1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000639450729 356235627 /nfs/dbraw/zinc/23/56/27/356235627.db2.gz YKNQKCLHRIBPSV-GFCCVEGCSA-N 2 2 249.362 0.791 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1C(N)=O ZINC000639446563 356225533 /nfs/dbraw/zinc/22/55/33/356225533.db2.gz QNPAYWAMRNDWJQ-NSHDSACASA-N 2 2 236.319 0.302 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H]1C(N)=O ZINC000639446563 356225536 /nfs/dbraw/zinc/22/55/36/356225536.db2.gz QNPAYWAMRNDWJQ-NSHDSACASA-N 2 2 236.319 0.302 20 0 BCADLP Cn1c[nH+]cc1CC[NH+]1CCC([NH+](C)C)CC1 ZINC000639450490 356234266 /nfs/dbraw/zinc/23/42/66/356234266.db2.gz PJZHFRXKYKMZCI-UHFFFAOYSA-N 3 2 236.363 0.989 20 0 BCADLP CCCCCNC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000420267312 192192598 /nfs/dbraw/zinc/19/25/98/192192598.db2.gz FKZIAAIFHAWRIV-UHFFFAOYSA-N 2 2 241.379 0.977 20 0 BCADLP CCCCCNC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000420267312 192192600 /nfs/dbraw/zinc/19/26/00/192192600.db2.gz FKZIAAIFHAWRIV-UHFFFAOYSA-N 2 2 241.379 0.977 20 0 BCADLP C[C@@H]1C[NH2+]CCN1c1nc[nH+]c(N)c1Cl ZINC000420217047 192192690 /nfs/dbraw/zinc/19/26/90/192192690.db2.gz HTHVBYDPCIXSGX-ZCFIWIBFSA-N 2 2 227.699 0.510 20 0 BCADLP C[C@H]([NH3+])[C@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000420257131 192189674 /nfs/dbraw/zinc/18/96/74/192189674.db2.gz DNKXYUPYDZAWRU-WHFBIAKZSA-N 2 2 215.688 0.860 20 0 BCADLP COC(=O)CC1(C[N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC000420296181 192204385 /nfs/dbraw/zinc/20/43/85/192204385.db2.gz QEJHCVTTZMEWJI-VIFPVBQESA-N 2 2 212.293 0.363 20 0 BCADLP COC(=O)CC1(C[N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC000420296181 192204387 /nfs/dbraw/zinc/20/43/87/192204387.db2.gz QEJHCVTTZMEWJI-VIFPVBQESA-N 2 2 212.293 0.363 20 0 BCADLP CC[C@H](O)CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422892151 192499173 /nfs/dbraw/zinc/49/91/73/192499173.db2.gz MJKSFDQDJVRLBI-XQQFMLRXSA-N 2 2 242.363 0.504 20 0 BCADLP CC(C)OC(=O)CC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000420280633 192198466 /nfs/dbraw/zinc/19/84/66/192198466.db2.gz YRTSVXCXFAZGDY-SNVBAGLBSA-N 2 2 214.309 0.751 20 0 BCADLP CC(C)OC(=O)CC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000420280633 192198468 /nfs/dbraw/zinc/19/84/68/192198468.db2.gz YRTSVXCXFAZGDY-SNVBAGLBSA-N 2 2 214.309 0.751 20 0 BCADLP CCCCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000420281644 192199367 /nfs/dbraw/zinc/19/93/67/192199367.db2.gz ACSAGEJBGWTUBO-RYUDHWBXSA-N 2 2 241.379 0.962 20 0 BCADLP CCCCCNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000420281644 192199369 /nfs/dbraw/zinc/19/93/69/192199369.db2.gz ACSAGEJBGWTUBO-RYUDHWBXSA-N 2 2 241.379 0.962 20 0 BCADLP CCCCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000420281648 192199809 /nfs/dbraw/zinc/19/98/09/192199809.db2.gz ACSAGEJBGWTUBO-VXGBXAGGSA-N 2 2 241.379 0.962 20 0 BCADLP CCCCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000420281648 192199810 /nfs/dbraw/zinc/19/98/10/192199810.db2.gz ACSAGEJBGWTUBO-VXGBXAGGSA-N 2 2 241.379 0.962 20 0 BCADLP CCc1nnc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)[nH]1 ZINC000333826750 356309388 /nfs/dbraw/zinc/30/93/88/356309388.db2.gz LSOKWXLFNYZNHC-ZJUUUORDSA-N 2 2 237.351 0.845 20 0 BCADLP C[C@@H](CCNC(=O)Cc1c[nH+]cn1C)[NH+](C)C ZINC000617758551 356314666 /nfs/dbraw/zinc/31/46/66/356314666.db2.gz RSZYKOXGLYQUKX-JTQLQIEISA-N 2 2 238.335 0.419 20 0 BCADLP C[C@@H](C(=O)NCCNc1cccc[nH+]1)[NH+](C)C ZINC000639493685 356315965 /nfs/dbraw/zinc/31/59/65/356315965.db2.gz RDIYROKCLRNYDS-JTQLQIEISA-N 2 2 236.319 0.560 20 0 BCADLP COC(=O)CC1(C[N@@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC000420289237 192201899 /nfs/dbraw/zinc/20/18/99/192201899.db2.gz JXJUILCWBSDABH-SNVBAGLBSA-N 2 2 226.320 0.753 20 0 BCADLP COC(=O)CC1(C[N@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC000420289237 192201900 /nfs/dbraw/zinc/20/19/00/192201900.db2.gz JXJUILCWBSDABH-SNVBAGLBSA-N 2 2 226.320 0.753 20 0 BCADLP C[C@@H]1CC[N@H+](CCN2CCCC2=O)[C@H](C[NH3+])C1 ZINC000420332376 192214134 /nfs/dbraw/zinc/21/41/34/192214134.db2.gz JGJBEDGRSXDQIS-NEPJUHHUSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@@H]1CC[N@@H+](CCN2CCCC2=O)[C@H](C[NH3+])C1 ZINC000420332376 192214136 /nfs/dbraw/zinc/21/41/36/192214136.db2.gz JGJBEDGRSXDQIS-NEPJUHHUSA-N 2 2 239.363 0.668 20 0 BCADLP NC(=O)[C@@H](c1ccccc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359295776 181266394 /nfs/dbraw/zinc/26/63/94/181266394.db2.gz XPGBVHWKUYJIRE-FRRDWIJNSA-N 2 2 245.326 0.364 20 0 BCADLP NC(=O)[C@@H](c1ccccc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359295776 181266396 /nfs/dbraw/zinc/26/63/96/181266396.db2.gz XPGBVHWKUYJIRE-FRRDWIJNSA-N 2 2 245.326 0.364 20 0 BCADLP CCOC(=O)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420344464 192215812 /nfs/dbraw/zinc/21/58/12/192215812.db2.gz TULQTGCFAKGKSC-ZJUUUORDSA-N 2 2 212.293 0.233 20 0 BCADLP CCOC(=O)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420344464 192215814 /nfs/dbraw/zinc/21/58/14/192215814.db2.gz TULQTGCFAKGKSC-ZJUUUORDSA-N 2 2 212.293 0.233 20 0 BCADLP CCCCCNC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000420311186 192211235 /nfs/dbraw/zinc/21/12/35/192211235.db2.gz QOAFQXBZPIAFDW-UHFFFAOYSA-N 2 2 227.352 0.764 20 0 BCADLP CC[C@H](C)NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420368537 192226039 /nfs/dbraw/zinc/22/60/39/192226039.db2.gz NPRMWUVBILJGEW-LSCVPOLPSA-N 2 2 241.379 0.877 20 0 BCADLP CN(CCC[NH+]1CCOCC1)C1(C[NH3+])CCC1 ZINC000420321581 192227138 /nfs/dbraw/zinc/22/71/38/192227138.db2.gz CXMBMENNEBPTNW-UHFFFAOYSA-N 2 2 241.379 0.522 20 0 BCADLP CCN(C)C(=O)CC[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420322080 192227206 /nfs/dbraw/zinc/22/72/06/192227206.db2.gz SCXFLDMFQJCRNT-GFCCVEGCSA-N 2 2 239.363 0.681 20 0 BCADLP CCN(C)C(=O)CC[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420322080 192227208 /nfs/dbraw/zinc/22/72/08/192227208.db2.gz SCXFLDMFQJCRNT-GFCCVEGCSA-N 2 2 239.363 0.681 20 0 BCADLP COC(=O)CC1(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000420359944 192221468 /nfs/dbraw/zinc/22/14/68/192221468.db2.gz WLIITQBIDYSKTM-UWVGGRQHSA-N 2 2 226.320 0.751 20 0 BCADLP COC(=O)CC1(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000420359944 192221469 /nfs/dbraw/zinc/22/14/69/192221469.db2.gz WLIITQBIDYSKTM-UWVGGRQHSA-N 2 2 226.320 0.751 20 0 BCADLP CCNC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420362254 192221878 /nfs/dbraw/zinc/22/18/78/192221878.db2.gz IQPSXPFACONUIY-FXPVBKGRSA-N 2 2 213.325 0.099 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420359982 192222943 /nfs/dbraw/zinc/22/29/43/192222943.db2.gz GNIMUCLFFHCXMZ-GMXVVIOVSA-N 2 2 241.379 0.831 20 0 BCADLP CC[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(N)=O ZINC000420360500 192222969 /nfs/dbraw/zinc/22/29/69/192222969.db2.gz HHBDAWOXSZSFKH-AATLWQCWSA-N 2 2 213.325 0.226 20 0 BCADLP CCNC(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420362255 192222995 /nfs/dbraw/zinc/22/29/95/192222995.db2.gz IQPSXPFACONUIY-IQJOONFLSA-N 2 2 213.325 0.099 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)NCC1CC1 ZINC000420379694 192234234 /nfs/dbraw/zinc/23/42/34/192234234.db2.gz XYMVQTCSACJQMJ-GIPNMCIBSA-N 2 2 239.363 0.489 20 0 BCADLP CC(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000639550388 356422085 /nfs/dbraw/zinc/42/20/85/356422085.db2.gz PHSYTQOMSBYKOU-UHFFFAOYSA-N 2 2 241.379 0.533 20 0 BCADLP CC(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000639550388 356422088 /nfs/dbraw/zinc/42/20/88/356422088.db2.gz PHSYTQOMSBYKOU-UHFFFAOYSA-N 2 2 241.379 0.533 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC000420379144 192234005 /nfs/dbraw/zinc/23/40/05/192234005.db2.gz XLYZFTRSBOCGEB-GIPNMCIBSA-N 2 2 239.363 0.583 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000019483852 356482880 /nfs/dbraw/zinc/48/28/80/356482880.db2.gz ZZHYBMWDGJSWCA-CYBMUJFWSA-N 2 2 247.342 0.851 20 0 BCADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@@H](CO)O1 ZINC000639607301 356522609 /nfs/dbraw/zinc/52/26/09/356522609.db2.gz RJODOVKBKGTTCY-PWSUYJOCSA-N 2 2 239.319 0.044 20 0 BCADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@@H](CO)O1 ZINC000639607301 356522613 /nfs/dbraw/zinc/52/26/13/356522613.db2.gz RJODOVKBKGTTCY-PWSUYJOCSA-N 2 2 239.319 0.044 20 0 BCADLP Cn1c[nH+]cc1Cc1noc([C@H]2CC[N@H+](C)C2)n1 ZINC000350207816 366262979 /nfs/dbraw/zinc/26/29/79/366262979.db2.gz ZOIFLEWLDURLAL-VIFPVBQESA-N 2 2 247.302 0.813 20 0 BCADLP Cn1c[nH+]cc1Cc1noc([C@H]2CC[N@@H+](C)C2)n1 ZINC000350207816 366262985 /nfs/dbraw/zinc/26/29/85/366262985.db2.gz ZOIFLEWLDURLAL-VIFPVBQESA-N 2 2 247.302 0.813 20 0 BCADLP c1nc2n(n1)[C@H](C[N@@H+]1CCn3c[nH+]cc3C1)CC2 ZINC000639648445 356555451 /nfs/dbraw/zinc/55/54/51/356555451.db2.gz HMXVVFGRGUSKDL-JTQLQIEISA-N 2 2 244.302 0.478 20 0 BCADLP c1nc2n(n1)[C@H](C[N@H+]1CCn3c[nH+]cc3C1)CC2 ZINC000639648445 356555454 /nfs/dbraw/zinc/55/54/54/356555454.db2.gz HMXVVFGRGUSKDL-JTQLQIEISA-N 2 2 244.302 0.478 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)C(C)(C)C(N)=O ZINC000639659245 356567012 /nfs/dbraw/zinc/56/70/12/356567012.db2.gz IQBBTDBQNCLYRG-UHFFFAOYSA-N 2 2 224.308 0.158 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)C(C)(C)C(N)=O ZINC000639659245 356567016 /nfs/dbraw/zinc/56/70/16/356567016.db2.gz IQBBTDBQNCLYRG-UHFFFAOYSA-N 2 2 224.308 0.158 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](O)CC1 ZINC000639659412 356568421 /nfs/dbraw/zinc/56/84/21/356568421.db2.gz OAWKSJYHOKXVHL-LBPRGKRZSA-N 2 2 223.320 0.809 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](O)CC1 ZINC000639659412 356568426 /nfs/dbraw/zinc/56/84/26/356568426.db2.gz OAWKSJYHOKXVHL-LBPRGKRZSA-N 2 2 223.320 0.809 20 0 BCADLP Cn1c[nH+]cc1CCN1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000639652899 356564120 /nfs/dbraw/zinc/56/41/20/356564120.db2.gz OYURARCCXSCKIX-WCQYABFASA-N 2 2 234.347 0.599 20 0 BCADLP Cn1c[nH+]cc1CCN1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000639652899 356564123 /nfs/dbraw/zinc/56/41/23/356564123.db2.gz OYURARCCXSCKIX-WCQYABFASA-N 2 2 234.347 0.599 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623303900 356594134 /nfs/dbraw/zinc/59/41/34/356594134.db2.gz NCYDGPLUFVVQQV-ZYHUDNBSSA-N 2 2 248.330 0.408 20 0 BCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623303900 356594137 /nfs/dbraw/zinc/59/41/37/356594137.db2.gz NCYDGPLUFVVQQV-ZYHUDNBSSA-N 2 2 248.330 0.408 20 0 BCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000623300983 356575902 /nfs/dbraw/zinc/57/59/02/356575902.db2.gz BEFIHWAKCYPQSS-GHMZBOCLSA-N 2 2 248.330 0.266 20 0 BCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000623300983 356575905 /nfs/dbraw/zinc/57/59/05/356575905.db2.gz BEFIHWAKCYPQSS-GHMZBOCLSA-N 2 2 248.330 0.266 20 0 BCADLP C[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc2C1)[NH+](C)C ZINC000623307396 356610754 /nfs/dbraw/zinc/61/07/54/356610754.db2.gz FZIJKPLWQYZDPE-VHSXEESVSA-N 2 2 236.319 0.264 20 0 BCADLP C[C@@H]1CC[C@@H](O)C[N@@H+]1CCc1c[nH+]cn1C ZINC000639686928 356596246 /nfs/dbraw/zinc/59/62/46/356596246.db2.gz PXHOIBQRWYMPHM-ZYHUDNBSSA-N 2 2 223.320 0.808 20 0 BCADLP C[C@@H]1CC[C@@H](O)C[N@H+]1CCc1c[nH+]cn1C ZINC000639686928 356596251 /nfs/dbraw/zinc/59/62/51/356596251.db2.gz PXHOIBQRWYMPHM-ZYHUDNBSSA-N 2 2 223.320 0.808 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(=O)N(C)C ZINC000130091203 325012082 /nfs/dbraw/zinc/01/20/82/325012082.db2.gz CLMOQOKUPDTURS-VWYCJHECSA-N 2 2 227.352 0.535 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)N(C)C ZINC000130091203 325012084 /nfs/dbraw/zinc/01/20/84/325012084.db2.gz CLMOQOKUPDTURS-VWYCJHECSA-N 2 2 227.352 0.535 20 0 BCADLP CC(C)(C)[C@@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000389415177 356648840 /nfs/dbraw/zinc/64/88/40/356648840.db2.gz UEKZAFBAQVLNMY-JTQLQIEISA-N 2 2 211.309 0.880 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCCn2ccnn2)C[N@@H+]1C1CC1 ZINC000168141614 134156202 /nfs/dbraw/zinc/15/62/02/134156202.db2.gz YUNSQULSRMSBGX-NEPJUHHUSA-N 2 2 249.362 0.883 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCCn2ccnn2)C[N@H+]1C1CC1 ZINC000168141614 134156203 /nfs/dbraw/zinc/15/62/03/134156203.db2.gz YUNSQULSRMSBGX-NEPJUHHUSA-N 2 2 249.362 0.883 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](CCO)Cc1ccccc1 ZINC000167693511 134153734 /nfs/dbraw/zinc/15/37/34/134153734.db2.gz POKJOZZZVNAWAI-LLVKDONJSA-N 2 2 208.305 0.828 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](CCO)Cc1ccccc1 ZINC000167693511 134153735 /nfs/dbraw/zinc/15/37/35/134153735.db2.gz POKJOZZZVNAWAI-LLVKDONJSA-N 2 2 208.305 0.828 20 0 BCADLP C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000126593805 538534280 /nfs/dbraw/zinc/53/42/80/538534280.db2.gz ZXBMPAJJKURZRG-GFCCVEGCSA-N 2 2 239.363 0.492 20 0 BCADLP C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000126593805 538534286 /nfs/dbraw/zinc/53/42/86/538534286.db2.gz ZXBMPAJJKURZRG-GFCCVEGCSA-N 2 2 239.363 0.492 20 0 BCADLP COC(=O)[C@H](C1CC1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000390469992 356716694 /nfs/dbraw/zinc/71/66/94/356716694.db2.gz IYMAOHMTHQRIFX-MXWKQRLJSA-N 2 2 224.304 0.089 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC000351485571 538704662 /nfs/dbraw/zinc/70/46/62/538704662.db2.gz JYMOYAKJZIBVMB-JTQLQIEISA-N 2 2 247.302 0.744 20 0 BCADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cn[nH]n3)CC[C@H]21 ZINC000450498941 202186765 /nfs/dbraw/zinc/18/67/65/202186765.db2.gz HTMONGKVLBWERT-CMPLNLGQSA-N 2 2 235.335 0.721 20 0 BCADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cn[nH]n3)CC[C@H]21 ZINC000450498941 202186768 /nfs/dbraw/zinc/18/67/68/202186768.db2.gz HTMONGKVLBWERT-CMPLNLGQSA-N 2 2 235.335 0.721 20 0 BCADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cn[nH]n3)CC[C@H]21 ZINC000450498941 202186769 /nfs/dbraw/zinc/18/67/69/202186769.db2.gz HTMONGKVLBWERT-CMPLNLGQSA-N 2 2 235.335 0.721 20 0 BCADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cn[nH]n3)CC[C@H]21 ZINC000450498941 202186772 /nfs/dbraw/zinc/18/67/72/202186772.db2.gz HTMONGKVLBWERT-CMPLNLGQSA-N 2 2 235.335 0.721 20 0 BCADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cn[nH]n3)CC[C@H]21 ZINC000450498944 202187580 /nfs/dbraw/zinc/18/75/80/202187580.db2.gz HTMONGKVLBWERT-ZYHUDNBSSA-N 2 2 235.335 0.721 20 0 BCADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cn[nH]n3)CC[C@H]21 ZINC000450498944 202187584 /nfs/dbraw/zinc/18/75/84/202187584.db2.gz HTMONGKVLBWERT-ZYHUDNBSSA-N 2 2 235.335 0.721 20 0 BCADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cn[nH]n3)CC[C@H]21 ZINC000450498944 202187586 /nfs/dbraw/zinc/18/75/86/202187586.db2.gz HTMONGKVLBWERT-ZYHUDNBSSA-N 2 2 235.335 0.721 20 0 BCADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cn[nH]n3)CC[C@H]21 ZINC000450498944 202187588 /nfs/dbraw/zinc/18/75/88/202187588.db2.gz HTMONGKVLBWERT-ZYHUDNBSSA-N 2 2 235.335 0.721 20 0 BCADLP CC(C)([NH3+])C[NH2+]Cc1nnc2ccccn21 ZINC000390556972 357104436 /nfs/dbraw/zinc/10/44/36/357104436.db2.gz ITPWOLOKGYFAEK-UHFFFAOYSA-N 2 2 219.292 0.556 20 0 BCADLP C[C@H](C[NH2+]CCC(N)=O)[N@H+](C)Cc1ccccc1 ZINC000390652582 357109143 /nfs/dbraw/zinc/10/91/43/357109143.db2.gz YTEJRPMHZTVCKU-GFCCVEGCSA-N 2 2 249.358 0.972 20 0 BCADLP C[C@H](C[NH2+]CCC(N)=O)[N@@H+](C)Cc1ccccc1 ZINC000390652582 357109145 /nfs/dbraw/zinc/10/91/45/357109145.db2.gz YTEJRPMHZTVCKU-GFCCVEGCSA-N 2 2 249.358 0.972 20 0 BCADLP Cc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)on1 ZINC000585381840 538800641 /nfs/dbraw/zinc/80/06/41/538800641.db2.gz AXQNGZRVQNNUNG-PHIMTYICSA-N 2 2 221.304 0.976 20 0 BCADLP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)on1 ZINC000585381840 538800650 /nfs/dbraw/zinc/80/06/50/538800650.db2.gz AXQNGZRVQNNUNG-PHIMTYICSA-N 2 2 221.304 0.976 20 0 BCADLP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)on1 ZINC000585381840 538800656 /nfs/dbraw/zinc/80/06/56/538800656.db2.gz AXQNGZRVQNNUNG-PHIMTYICSA-N 2 2 221.304 0.976 20 0 BCADLP Cc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)on1 ZINC000585381840 538800663 /nfs/dbraw/zinc/80/06/63/538800663.db2.gz AXQNGZRVQNNUNG-PHIMTYICSA-N 2 2 221.304 0.976 20 0 BCADLP C[NH2+]CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000582419163 357142836 /nfs/dbraw/zinc/14/28/36/357142836.db2.gz NGSZIHLLMOVSSX-UHFFFAOYSA-N 2 2 207.277 0.534 20 0 BCADLP CCOCC[C@@H](O)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000582720995 357370811 /nfs/dbraw/zinc/37/08/11/357370811.db2.gz PZDIXEUOHPVPGZ-GFCCVEGCSA-N 2 2 241.335 0.340 20 0 BCADLP CN(C)c1nc(NCc2c[nH+]cn2C)cc[nH+]1 ZINC000357590367 538829561 /nfs/dbraw/zinc/82/95/61/538829561.db2.gz FUPQKBQBVBEOSC-UHFFFAOYSA-N 2 2 232.291 0.310 20 0 BCADLP CC[C@H](O)C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000582960054 357438508 /nfs/dbraw/zinc/43/85/08/357438508.db2.gz YAHBQYKKXVPBOR-RYUDHWBXSA-N 2 2 230.352 0.315 20 0 BCADLP CC[C@H](O)C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000583020238 357451171 /nfs/dbraw/zinc/45/11/71/357451171.db2.gz ZKWFSTQAYLHTNY-WDEREUQCSA-N 2 2 232.393 0.784 20 0 BCADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2ncnn2C)C[C@H]1C[NH3+] ZINC000397340865 357512656 /nfs/dbraw/zinc/51/26/56/357512656.db2.gz AVSIDOVHZJHBAN-GMTAPVOTSA-N 2 2 237.351 0.620 20 0 BCADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ncnn2C)C[C@H]1C[NH3+] ZINC000397340865 357512660 /nfs/dbraw/zinc/51/26/60/357512660.db2.gz AVSIDOVHZJHBAN-GMTAPVOTSA-N 2 2 237.351 0.620 20 0 BCADLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1COC(C)(C)C1 ZINC000396472577 357481088 /nfs/dbraw/zinc/48/10/88/357481088.db2.gz PNMNWUDKZZDPSV-UWVGGRQHSA-N 2 2 216.325 0.066 20 0 BCADLP CCOC[C@H](O)C[NH2+]CCc1cc[nH+]cc1C ZINC000397521103 357536643 /nfs/dbraw/zinc/53/66/43/357536643.db2.gz IYOQTHNUBCBFKE-CYBMUJFWSA-N 2 2 238.331 0.920 20 0 BCADLP CCN(C)C(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000188481059 357556270 /nfs/dbraw/zinc/55/62/70/357556270.db2.gz HMVBRICKYTXQKK-WOPDTQHZSA-N 2 2 241.379 0.926 20 0 BCADLP CCN(C)C(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000188481059 357556275 /nfs/dbraw/zinc/55/62/75/357556275.db2.gz HMVBRICKYTXQKK-WOPDTQHZSA-N 2 2 241.379 0.926 20 0 BCADLP CCN(C)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000188481010 357556346 /nfs/dbraw/zinc/55/63/46/357556346.db2.gz HMVBRICKYTXQKK-GRYCIOLGSA-N 2 2 241.379 0.926 20 0 BCADLP CCN(C)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000188481010 357556352 /nfs/dbraw/zinc/55/63/52/357556352.db2.gz HMVBRICKYTXQKK-GRYCIOLGSA-N 2 2 241.379 0.926 20 0 BCADLP CCC[N@H+](CCC[NH2+]C)CC(=O)N(C)C ZINC000230895630 357577891 /nfs/dbraw/zinc/57/78/91/357577891.db2.gz PIJDVOZAZWMNMG-UHFFFAOYSA-N 2 2 215.341 0.396 20 0 BCADLP CCC[N@@H+](CCC[NH2+]C)CC(=O)N(C)C ZINC000230895630 357577895 /nfs/dbraw/zinc/57/78/95/357577895.db2.gz PIJDVOZAZWMNMG-UHFFFAOYSA-N 2 2 215.341 0.396 20 0 BCADLP OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000063219069 357594801 /nfs/dbraw/zinc/59/48/01/357594801.db2.gz BOOPVYKMVWACQB-ZIAGYGMSSA-N 2 2 234.343 0.932 20 0 BCADLP CCCCNC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231670290 357618321 /nfs/dbraw/zinc/61/83/21/357618321.db2.gz ZLYRMFRFRIXEOG-LBPRGKRZSA-N 2 2 241.379 0.977 20 0 BCADLP CCCCNC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231670290 357618324 /nfs/dbraw/zinc/61/83/24/357618324.db2.gz ZLYRMFRFRIXEOG-LBPRGKRZSA-N 2 2 241.379 0.977 20 0 BCADLP COC[C@H](C)C[NH2+]CC1([NH+](C)C)CC1 ZINC000397873554 357775755 /nfs/dbraw/zinc/77/57/55/357775755.db2.gz UKNFTHWPZREGQS-SNVBAGLBSA-N 2 2 200.326 0.953 20 0 BCADLP CC[NH+](CC)CCC[N@@H+]1CCNC(=O)CC1 ZINC000191782769 357796099 /nfs/dbraw/zinc/79/60/99/357796099.db2.gz RCXGRXPRQZBFTB-UHFFFAOYSA-N 2 2 227.352 0.540 20 0 BCADLP CC[NH+](CC)CCC[N@H+]1CCNC(=O)CC1 ZINC000191782769 357796100 /nfs/dbraw/zinc/79/61/00/357796100.db2.gz RCXGRXPRQZBFTB-UHFFFAOYSA-N 2 2 227.352 0.540 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)C(F)F)n1C ZINC000234288670 357780309 /nfs/dbraw/zinc/78/03/09/357780309.db2.gz CTLKUCYWKUULOM-QMMMGPOBSA-N 2 2 248.277 0.202 20 0 BCADLP Cc1cc(NC(=O)[C@H]2C[NH2+]CCO2)cc[nH+]1 ZINC000086114038 357853869 /nfs/dbraw/zinc/85/38/69/357853869.db2.gz SRRFMCWYYQAVPW-SNVBAGLBSA-N 2 2 221.260 0.317 20 0 BCADLP COCCC[N@H+](C)CC[NH2+][C@H]1CCOC[C@@H]1C ZINC000192603193 357846290 /nfs/dbraw/zinc/84/62/90/357846290.db2.gz HAWHVUVASOZZGF-STQMWFEESA-N 2 2 244.379 0.969 20 0 BCADLP COCCC[N@@H+](C)CC[NH2+][C@H]1CCOC[C@@H]1C ZINC000192603193 357846293 /nfs/dbraw/zinc/84/62/93/357846293.db2.gz HAWHVUVASOZZGF-STQMWFEESA-N 2 2 244.379 0.969 20 0 BCADLP CC(C)[NH2+]CCC(=O)N(C)Cc1[nH+]ccn1C ZINC000037823027 358095300 /nfs/dbraw/zinc/09/53/00/358095300.db2.gz JSRYNVJKXDZVQP-UHFFFAOYSA-N 2 2 238.335 0.767 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H](C)[C@H](C)CO)n1C ZINC000584733023 358164979 /nfs/dbraw/zinc/16/49/79/358164979.db2.gz WDWMMEKAHXYLLW-BDAKNGLRSA-N 2 2 211.309 0.835 20 0 BCADLP COc1cccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000226610238 358341861 /nfs/dbraw/zinc/34/18/61/358341861.db2.gz NOEQSXQETNZZNY-ZDUSSCGKSA-N 2 2 249.358 0.770 20 0 BCADLP COc1cccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000226610238 358341864 /nfs/dbraw/zinc/34/18/64/358341864.db2.gz NOEQSXQETNZZNY-ZDUSSCGKSA-N 2 2 249.358 0.770 20 0 BCADLP C[N@@H+]1CCN(Cc2cccs2)[C@@H](C[NH3+])C1 ZINC000226611580 358342063 /nfs/dbraw/zinc/34/20/63/358342063.db2.gz IJNUIZYUPGYGOC-JTQLQIEISA-N 2 2 225.361 0.823 20 0 BCADLP C[N@H+]1CCN(Cc2cccs2)[C@@H](C[NH3+])C1 ZINC000226611580 358342066 /nfs/dbraw/zinc/34/20/66/358342066.db2.gz IJNUIZYUPGYGOC-JTQLQIEISA-N 2 2 225.361 0.823 20 0 BCADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1cscn1 ZINC000042869419 358361200 /nfs/dbraw/zinc/36/12/00/358361200.db2.gz BHXBHWQAFJDONF-UHFFFAOYSA-N 2 2 240.376 0.480 20 0 BCADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cscn1 ZINC000042869419 358361203 /nfs/dbraw/zinc/36/12/03/358361203.db2.gz BHXBHWQAFJDONF-UHFFFAOYSA-N 2 2 240.376 0.480 20 0 BCADLP C[C@H]1[NH2+]CCN(CC[NH+]2CCOCC2)[C@@H]1C ZINC000379501769 358515812 /nfs/dbraw/zinc/51/58/12/358515812.db2.gz WRMRVYRLCFRKGU-VXGBXAGGSA-N 2 2 227.352 0.001 20 0 BCADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(N)=O)C1 ZINC000174224128 134279748 /nfs/dbraw/zinc/27/97/48/134279748.db2.gz SZRLLLJMYYSRBF-SNVBAGLBSA-N 2 2 213.325 0.135 20 0 BCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC000174224128 134279749 /nfs/dbraw/zinc/27/97/49/134279749.db2.gz SZRLLLJMYYSRBF-SNVBAGLBSA-N 2 2 213.325 0.135 20 0 BCADLP CC(C)C[N@H+](CC[C@@H]1CCC[NH+]1C)CC(N)=O ZINC000124864952 358528364 /nfs/dbraw/zinc/52/83/64/358528364.db2.gz JRNLKFAJGDEKTF-LBPRGKRZSA-N 2 2 241.379 0.914 20 0 BCADLP CC(C)C[N@@H+](CC[C@@H]1CCC[NH+]1C)CC(N)=O ZINC000124864952 358528367 /nfs/dbraw/zinc/52/83/67/358528367.db2.gz JRNLKFAJGDEKTF-LBPRGKRZSA-N 2 2 241.379 0.914 20 0 BCADLP CC(C)C[NH+](CC[C@@H]1CCC[N@@H+]1C)CC(N)=O ZINC000124864952 358528369 /nfs/dbraw/zinc/52/83/69/358528369.db2.gz JRNLKFAJGDEKTF-LBPRGKRZSA-N 2 2 241.379 0.914 20 0 BCADLP CC(C)C[NH+](CC[C@@H]1CCC[N@H+]1C)CC(N)=O ZINC000124864952 358528371 /nfs/dbraw/zinc/52/83/71/358528371.db2.gz JRNLKFAJGDEKTF-LBPRGKRZSA-N 2 2 241.379 0.914 20 0 BCADLP CC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131306982 358670154 /nfs/dbraw/zinc/67/01/54/358670154.db2.gz WQGUZFSJXKBCFW-LLVKDONJSA-N 2 2 225.336 0.420 20 0 BCADLP CC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131306982 358670159 /nfs/dbraw/zinc/67/01/59/358670159.db2.gz WQGUZFSJXKBCFW-LLVKDONJSA-N 2 2 225.336 0.420 20 0 BCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)NC1CC1 ZINC000133294173 358749812 /nfs/dbraw/zinc/74/98/12/358749812.db2.gz CNNWZZJCUZZSJM-LLVKDONJSA-N 2 2 227.352 0.570 20 0 BCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)NC1CC1 ZINC000133294173 358749813 /nfs/dbraw/zinc/74/98/13/358749813.db2.gz CNNWZZJCUZZSJM-LLVKDONJSA-N 2 2 227.352 0.570 20 0 BCADLP CCCNC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000133300407 358750669 /nfs/dbraw/zinc/75/06/69/358750669.db2.gz BXMLTDYJIIRRFJ-NSHDSACASA-N 2 2 229.368 0.818 20 0 BCADLP CCCNC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000133300407 358750671 /nfs/dbraw/zinc/75/06/71/358750671.db2.gz BXMLTDYJIIRRFJ-NSHDSACASA-N 2 2 229.368 0.818 20 0 BCADLP C[C@@H](CCO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000132412295 358723384 /nfs/dbraw/zinc/72/33/84/358723384.db2.gz ZAPTVBOSPGMHCX-VIFPVBQESA-N 2 2 226.324 0.347 20 0 BCADLP CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050802257 358738566 /nfs/dbraw/zinc/73/85/66/358738566.db2.gz XNJWXSNETYQFKK-UHFFFAOYSA-N 2 2 239.363 0.681 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000053443751 358830060 /nfs/dbraw/zinc/83/00/60/358830060.db2.gz JPDLXMHWWNAWQF-VXGBXAGGSA-N 2 2 230.352 0.722 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000053443751 358830065 /nfs/dbraw/zinc/83/00/65/358830065.db2.gz JPDLXMHWWNAWQF-VXGBXAGGSA-N 2 2 230.352 0.722 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000309662050 358988962 /nfs/dbraw/zinc/98/89/62/358988962.db2.gz YFPLGOPYURXNFR-NWDGAFQWSA-N 3 2 211.353 0.527 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000309662050 358988965 /nfs/dbraw/zinc/98/89/65/358988965.db2.gz YFPLGOPYURXNFR-NWDGAFQWSA-N 3 2 211.353 0.527 20 0 BCADLP CCCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246580430 359149175 /nfs/dbraw/zinc/14/91/75/359149175.db2.gz FJZTYWDGWOZZCJ-NWDGAFQWSA-N 2 2 241.379 0.927 20 0 BCADLP CCCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246580430 359149178 /nfs/dbraw/zinc/14/91/78/359149178.db2.gz FJZTYWDGWOZZCJ-NWDGAFQWSA-N 2 2 241.379 0.927 20 0 BCADLP CCCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246580430 359149181 /nfs/dbraw/zinc/14/91/81/359149181.db2.gz FJZTYWDGWOZZCJ-NWDGAFQWSA-N 2 2 241.379 0.927 20 0 BCADLP CCCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246580430 359149184 /nfs/dbraw/zinc/14/91/84/359149184.db2.gz FJZTYWDGWOZZCJ-NWDGAFQWSA-N 2 2 241.379 0.927 20 0 BCADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CS(C)(=O)=O)C1 ZINC000246677706 359156866 /nfs/dbraw/zinc/15/68/66/359156866.db2.gz NBPWBTXKQUXEHV-MNOVXSKESA-N 2 2 248.392 0.351 20 0 BCADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CS(C)(=O)=O)C1 ZINC000246677706 359156873 /nfs/dbraw/zinc/15/68/73/359156873.db2.gz NBPWBTXKQUXEHV-MNOVXSKESA-N 2 2 248.392 0.351 20 0 BCADLP Cn1ncnc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247997096 359251476 /nfs/dbraw/zinc/25/14/76/359251476.db2.gz JYAGESBBSBCQJV-RYUDHWBXSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncnc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247997096 359251478 /nfs/dbraw/zinc/25/14/78/359251478.db2.gz JYAGESBBSBCQJV-RYUDHWBXSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncnc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247997096 359251484 /nfs/dbraw/zinc/25/14/84/359251484.db2.gz JYAGESBBSBCQJV-RYUDHWBXSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncnc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247997096 359251486 /nfs/dbraw/zinc/25/14/86/359251486.db2.gz JYAGESBBSBCQJV-RYUDHWBXSA-N 2 2 249.362 0.731 20 0 BCADLP CCC[NH2+][C@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000580428891 359546568 /nfs/dbraw/zinc/54/65/68/359546568.db2.gz DVWJYLSNVOVFFO-SNVBAGLBSA-N 2 2 224.308 0.387 20 0 BCADLP CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)c[nH+]1 ZINC000574991693 359531775 /nfs/dbraw/zinc/53/17/75/359531775.db2.gz DUUQJYMYURZAOE-PHIMTYICSA-N 2 2 248.330 0.501 20 0 BCADLP Cc1nc(N[C@H](CO)C[NH+](C)C)cc[nH+]1 ZINC000309038171 491143053 /nfs/dbraw/zinc/14/30/53/491143053.db2.gz JKOLNXKEFQFUBQ-VIFPVBQESA-N 2 2 210.281 0.119 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CCCOC1 ZINC000352116469 366549593 /nfs/dbraw/zinc/54/95/93/366549593.db2.gz WOLALCPCUHPFEN-STQMWFEESA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CCCOC1 ZINC000352116469 366549597 /nfs/dbraw/zinc/54/95/97/366549597.db2.gz WOLALCPCUHPFEN-STQMWFEESA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+](C)[C@H]1CCCOC1)C1CC1 ZINC000352116469 366549601 /nfs/dbraw/zinc/54/96/01/366549601.db2.gz WOLALCPCUHPFEN-STQMWFEESA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+](C)[C@H]1CCCOC1)C1CC1 ZINC000352116469 366549605 /nfs/dbraw/zinc/54/96/05/366549605.db2.gz WOLALCPCUHPFEN-STQMWFEESA-N 2 2 242.363 0.552 20 0 BCADLP CC(C)[C@@H](NC(=O)[C@@H](C)C[NH3+])c1[nH]cc[nH+]1 ZINC000578441244 366567961 /nfs/dbraw/zinc/56/79/61/366567961.db2.gz ICVWKKGDVLVOGR-DTWKUNHWSA-N 2 2 224.308 0.818 20 0 BCADLP CC[C@](C)(O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000087013314 359893816 /nfs/dbraw/zinc/89/38/16/359893816.db2.gz YQQWUXGBANBDBO-LBPRGKRZSA-N 2 2 240.351 0.737 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000578617009 366608876 /nfs/dbraw/zinc/60/88/76/366608876.db2.gz HYOOUIUCQDUYOS-AGIUHOORSA-N 3 2 225.380 0.916 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000578617009 366608880 /nfs/dbraw/zinc/60/88/80/366608880.db2.gz HYOOUIUCQDUYOS-AGIUHOORSA-N 3 2 225.380 0.916 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000380243822 366679094 /nfs/dbraw/zinc/67/90/94/366679094.db2.gz WTHVYWYXJJJRFD-NSHDSACASA-N 2 2 222.292 0.476 20 0 BCADLP C[NH+](C)C1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000612696164 360011299 /nfs/dbraw/zinc/01/12/99/360011299.db2.gz RCHPBSRQWOOUIK-VIFPVBQESA-N 2 2 248.330 0.477 20 0 BCADLP C[NH+](C)C1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000612696164 360011302 /nfs/dbraw/zinc/01/13/02/360011302.db2.gz RCHPBSRQWOOUIK-VIFPVBQESA-N 2 2 248.330 0.477 20 0 BCADLP COC[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090068226 360055816 /nfs/dbraw/zinc/05/58/16/360055816.db2.gz CMVOARWYSNKJJJ-YNEHKIRRSA-N 2 2 242.363 0.864 20 0 BCADLP COC[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090068226 360055820 /nfs/dbraw/zinc/05/58/20/360055820.db2.gz CMVOARWYSNKJJJ-YNEHKIRRSA-N 2 2 242.363 0.864 20 0 BCADLP O=C(NCC[NH+]1CCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612844587 360107497 /nfs/dbraw/zinc/10/74/97/360107497.db2.gz UEQMSPKDKFUXMN-SNVBAGLBSA-N 2 2 248.330 0.337 20 0 BCADLP O=C(NCC[NH+]1CCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612844587 360107500 /nfs/dbraw/zinc/10/75/00/360107500.db2.gz UEQMSPKDKFUXMN-SNVBAGLBSA-N 2 2 248.330 0.337 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309458108 491148606 /nfs/dbraw/zinc/14/86/06/491148606.db2.gz NBTINQHPAKAHMJ-RWMBFGLXSA-N 3 2 223.364 0.622 20 0 BCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309458108 491148607 /nfs/dbraw/zinc/14/86/07/491148607.db2.gz NBTINQHPAKAHMJ-RWMBFGLXSA-N 3 2 223.364 0.622 20 0 BCADLP CCn1cc[nH+]c1CN1CC[C@@H]([NH2+]C)C1 ZINC000150242804 360628761 /nfs/dbraw/zinc/62/87/61/360628761.db2.gz SUCXGAYFIWMGEX-SNVBAGLBSA-N 2 2 208.309 0.697 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cnc2cnccn12 ZINC000629407519 361055648 /nfs/dbraw/zinc/05/56/48/361055648.db2.gz CGNCSHUZHYUYQM-GXSJLCMTSA-N 2 2 231.303 0.569 20 0 BCADLP C[C@@H](CC(=O)N(C)C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629404704 361054404 /nfs/dbraw/zinc/05/44/04/361054404.db2.gz BXXAFTGNKCVGTL-LPEHRKFASA-N 2 2 213.325 0.193 20 0 BCADLP CCO[C@H](C[N@@H+]1CCO[C@H](C[NH3+])C1)C1CC1 ZINC000629518822 361118717 /nfs/dbraw/zinc/11/87/17/361118717.db2.gz PPWABXIUUBDUDE-VXGBXAGGSA-N 2 2 228.336 0.461 20 0 BCADLP CCO[C@H](C[N@H+]1CCO[C@H](C[NH3+])C1)C1CC1 ZINC000629518822 361118722 /nfs/dbraw/zinc/11/87/22/361118722.db2.gz PPWABXIUUBDUDE-VXGBXAGGSA-N 2 2 228.336 0.461 20 0 BCADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629519051 361118964 /nfs/dbraw/zinc/11/89/64/361118964.db2.gz DTWDBJXQEAXOHI-VXGBXAGGSA-N 3 2 241.379 0.744 20 0 BCADLP [NH3+][C@H]1CCC[N@H+](CCOC2CCOCC2)C1 ZINC000629509015 361102178 /nfs/dbraw/zinc/10/21/78/361102178.db2.gz GZMOCGRTURTLLY-NSHDSACASA-N 2 2 228.336 0.605 20 0 BCADLP [NH3+][C@H]1CCC[N@@H+](CCOC2CCOCC2)C1 ZINC000629509015 361102180 /nfs/dbraw/zinc/10/21/80/361102180.db2.gz GZMOCGRTURTLLY-NSHDSACASA-N 2 2 228.336 0.605 20 0 BCADLP C[NH2+]C1CC[NH+](Cc2cccnc2N)CC1 ZINC000629509609 361103484 /nfs/dbraw/zinc/10/34/84/361103484.db2.gz FQIAYJNSTBYQDV-UHFFFAOYSA-N 2 2 220.320 0.848 20 0 BCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000629510258 361107855 /nfs/dbraw/zinc/10/78/55/361107855.db2.gz OWYKQFMGJBSLTF-MWLCHTKSSA-N 2 2 237.351 0.776 20 0 BCADLP CCn1nnc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000629510258 361107857 /nfs/dbraw/zinc/10/78/57/361107857.db2.gz OWYKQFMGJBSLTF-MWLCHTKSSA-N 2 2 237.351 0.776 20 0 BCADLP CCO[C@H](C[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1)C1CC1 ZINC000629512668 361107861 /nfs/dbraw/zinc/10/78/61/361107861.db2.gz BPJNTWOAZSCDIQ-CYZMBNFOSA-N 2 2 242.363 0.850 20 0 BCADLP CCO[C@H](C[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1)C1CC1 ZINC000629512668 361107863 /nfs/dbraw/zinc/10/78/63/361107863.db2.gz BPJNTWOAZSCDIQ-CYZMBNFOSA-N 2 2 242.363 0.850 20 0 BCADLP C[N@H+](CCOC1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000629510874 361108971 /nfs/dbraw/zinc/10/89/71/361108971.db2.gz WFUPBWVZEZAKLQ-NSHDSACASA-N 2 2 228.336 0.476 20 0 BCADLP C[N@@H+](CCOC1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000629510874 361108972 /nfs/dbraw/zinc/10/89/72/361108972.db2.gz WFUPBWVZEZAKLQ-NSHDSACASA-N 2 2 228.336 0.476 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCOC1CCOCC1 ZINC000629514942 361112227 /nfs/dbraw/zinc/11/22/27/361112227.db2.gz WKXJWVPHLDXOGM-GFCCVEGCSA-N 2 2 242.363 0.866 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1CCOC1CCOCC1 ZINC000629514942 361112230 /nfs/dbraw/zinc/11/22/30/361112230.db2.gz WKXJWVPHLDXOGM-GFCCVEGCSA-N 2 2 242.363 0.866 20 0 BCADLP COc1cncc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000629516563 361115239 /nfs/dbraw/zinc/11/52/39/361115239.db2.gz KNQYRUIQDVODKV-UWVGGRQHSA-N 2 2 236.319 0.654 20 0 BCADLP COc1cncc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000629516563 361115243 /nfs/dbraw/zinc/11/52/43/361115243.db2.gz KNQYRUIQDVODKV-UWVGGRQHSA-N 2 2 236.319 0.654 20 0 BCADLP [NH3+]C1(C(=O)NCCn2cc[nH+]c2)CCCCC1 ZINC000041120070 181325627 /nfs/dbraw/zinc/32/56/27/181325627.db2.gz UARKTGZSIYWUJT-UHFFFAOYSA-N 2 2 236.319 0.661 20 0 BCADLP C1CC1[C@H]([NH2+][C@H]1CC12CC2)[C@@H]1C[NH2+]CCO1 ZINC000424373305 200924398 /nfs/dbraw/zinc/92/43/98/200924398.db2.gz JMTGGJDNARKKMK-SRVKXCTJSA-N 2 2 222.332 0.896 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640477997 361253699 /nfs/dbraw/zinc/25/36/99/361253699.db2.gz ALQYSXSNZTWBNU-GHMZBOCLSA-N 2 2 207.277 0.258 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640477997 361253704 /nfs/dbraw/zinc/25/37/04/361253704.db2.gz ALQYSXSNZTWBNU-GHMZBOCLSA-N 2 2 207.277 0.258 20 0 BCADLP C[C@H](c1ccccn1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000579126056 366719474 /nfs/dbraw/zinc/71/94/74/366719474.db2.gz JFFKUKUYIYVZJD-NXEZZACHSA-N 2 2 209.293 0.394 20 0 BCADLP C[C@H](c1ccccn1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000579126056 366719478 /nfs/dbraw/zinc/71/94/78/366719478.db2.gz JFFKUKUYIYVZJD-NXEZZACHSA-N 2 2 209.293 0.394 20 0 BCADLP C[C@@H](c1ccccn1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000579126059 366719515 /nfs/dbraw/zinc/71/95/15/366719515.db2.gz JFFKUKUYIYVZJD-VHSXEESVSA-N 2 2 209.293 0.394 20 0 BCADLP C[C@@H](c1ccccn1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000579126059 366719520 /nfs/dbraw/zinc/71/95/20/366719520.db2.gz JFFKUKUYIYVZJD-VHSXEESVSA-N 2 2 209.293 0.394 20 0 BCADLP C[C@H]([NH3+])CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000622044480 370677008 /nfs/dbraw/zinc/67/70/08/370677008.db2.gz HPPGHLYDAIBBNI-MVWJERBFSA-N 3 2 227.352 0.080 20 0 BCADLP C[C@H]([NH3+])CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000622044479 370677078 /nfs/dbraw/zinc/67/70/78/370677078.db2.gz HPPGHLYDAIBBNI-DLOVCJGASA-N 3 2 227.352 0.080 20 0 BCADLP CC(=O)N1CC[C@@H]([NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000622044880 370678963 /nfs/dbraw/zinc/67/89/63/370678963.db2.gz WQFPARHRXBAWBH-CYZMBNFOSA-N 2 2 239.363 0.727 20 0 BCADLP COC[C@H](C)C[N@@H+]1CC[NH2+]C[C@@](C)(F)C1 ZINC000579238780 366741764 /nfs/dbraw/zinc/74/17/64/366741764.db2.gz WWVDPJYENQNJQE-GHMZBOCLSA-N 2 2 218.316 0.902 20 0 BCADLP COC[C@H](C)C[N@H+]1CC[NH2+]C[C@@](C)(F)C1 ZINC000579238780 366741771 /nfs/dbraw/zinc/74/17/71/366741771.db2.gz WWVDPJYENQNJQE-GHMZBOCLSA-N 2 2 218.316 0.902 20 0 BCADLP Cc1cc(NC(=O)NCC[C@@H]2CC[NH2+]C2)cc[nH+]1 ZINC000579329283 366760639 /nfs/dbraw/zinc/76/06/39/366760639.db2.gz WZJUVUWOWGTCGN-NSHDSACASA-N 2 2 248.330 0.933 20 0 BCADLP CC[C@@H]1CC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000429291764 201095779 /nfs/dbraw/zinc/09/57/79/201095779.db2.gz JFPOQPBWPOUISP-PWSUYJOCSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@@H]1CC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000429291764 201095782 /nfs/dbraw/zinc/09/57/82/201095782.db2.gz JFPOQPBWPOUISP-PWSUYJOCSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@@H]1CC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000429291764 201095783 /nfs/dbraw/zinc/09/57/83/201095783.db2.gz JFPOQPBWPOUISP-PWSUYJOCSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@@H]1CC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000429291764 201095785 /nfs/dbraw/zinc/09/57/85/201095785.db2.gz JFPOQPBWPOUISP-PWSUYJOCSA-N 2 2 212.337 0.926 20 0 BCADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C[NH2+]1 ZINC000629535662 361410181 /nfs/dbraw/zinc/41/01/81/361410181.db2.gz CSIMLFJHGOOOIN-WYUUTHIRSA-N 3 2 211.353 0.844 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000629543724 361412682 /nfs/dbraw/zinc/41/26/82/361412682.db2.gz ALXBUPFKWQZPSW-IRCOFANPSA-N 3 2 211.353 0.844 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000629544080 361421557 /nfs/dbraw/zinc/42/15/57/361421557.db2.gz GMWRZGBMDFXIEH-GXSJLCMTSA-N 2 2 221.304 0.875 20 0 BCADLP C[C@@H]([NH2+]CCN(C)CC(F)F)[C@@H]1CCC[NH2+]1 ZINC000629555007 361437630 /nfs/dbraw/zinc/43/76/30/361437630.db2.gz PWOLMXUCEUFFAQ-ZJUUUORDSA-N 2 2 235.322 0.913 20 0 BCADLP [NH3+]CC12CC(C1)C[N@@H+]2CCOC1CCOCC1 ZINC000629550249 361442510 /nfs/dbraw/zinc/44/25/10/361442510.db2.gz KQURLSPNJLJYIJ-UHFFFAOYSA-N 2 2 240.347 0.605 20 0 BCADLP [NH3+]CC12CC(C1)C[N@H+]2CCOC1CCOCC1 ZINC000629550249 361442513 /nfs/dbraw/zinc/44/25/13/361442513.db2.gz KQURLSPNJLJYIJ-UHFFFAOYSA-N 2 2 240.347 0.605 20 0 BCADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C[NH2+]1 ZINC000629542012 361417756 /nfs/dbraw/zinc/41/77/56/361417756.db2.gz WRZRIRZSOWQVPQ-KKOKHZNYSA-N 3 2 211.353 0.986 20 0 BCADLP C[NH2+]CCOCC[N@H+](C)Cc1cc(C)n(C)n1 ZINC000629572434 361463738 /nfs/dbraw/zinc/46/37/38/361463738.db2.gz SMBMONVTVGSDJK-UHFFFAOYSA-N 2 2 240.351 0.396 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)Cc1cc(C)n(C)n1 ZINC000629572434 361463740 /nfs/dbraw/zinc/46/37/40/361463740.db2.gz SMBMONVTVGSDJK-UHFFFAOYSA-N 2 2 240.351 0.396 20 0 BCADLP O=c1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)n[nH]1 ZINC000629580407 361465593 /nfs/dbraw/zinc/46/55/93/361465593.db2.gz AUIKOSCVFUAZIF-JQWIXIFHSA-N 2 2 248.330 0.929 20 0 BCADLP O=c1ccc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)n[nH]1 ZINC000629580407 361465595 /nfs/dbraw/zinc/46/55/95/361465595.db2.gz AUIKOSCVFUAZIF-JQWIXIFHSA-N 2 2 248.330 0.929 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629583532 361468043 /nfs/dbraw/zinc/46/80/43/361468043.db2.gz BVFJZUFJUMFCOJ-BETUJISGSA-N 2 2 239.363 0.442 20 0 BCADLP CC(C)NC(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629583532 361468048 /nfs/dbraw/zinc/46/80/48/361468048.db2.gz BVFJZUFJUMFCOJ-BETUJISGSA-N 2 2 239.363 0.442 20 0 BCADLP FCC[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000629580753 361471022 /nfs/dbraw/zinc/47/10/22/361471022.db2.gz GNTFPRPWQIXEIR-WDEREUQCSA-N 2 2 216.300 0.656 20 0 BCADLP FCC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000629580753 361471025 /nfs/dbraw/zinc/47/10/25/361471025.db2.gz GNTFPRPWQIXEIR-WDEREUQCSA-N 2 2 216.300 0.656 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N(C)CC2CC2)C1 ZINC000430947485 201160182 /nfs/dbraw/zinc/16/01/82/201160182.db2.gz BGTNQNGXJQMWES-GFCCVEGCSA-N 2 2 239.363 0.396 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N(C)CC2CC2)C1 ZINC000430947485 201160184 /nfs/dbraw/zinc/16/01/84/201160184.db2.gz BGTNQNGXJQMWES-GFCCVEGCSA-N 2 2 239.363 0.396 20 0 BCADLP Cn1c[nH+]cc1CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585244 361474491 /nfs/dbraw/zinc/47/44/91/361474491.db2.gz OJSNYIICTGOUIX-BETUJISGSA-N 2 2 234.347 0.852 20 0 BCADLP CC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H](C)[NH3+] ZINC000629595144 361482484 /nfs/dbraw/zinc/48/24/84/361482484.db2.gz JZQZZIYXNGUITM-KOLCDFICSA-N 2 2 213.325 0.324 20 0 BCADLP CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](C)[NH3+] ZINC000629595144 361482488 /nfs/dbraw/zinc/48/24/88/361482488.db2.gz JZQZZIYXNGUITM-KOLCDFICSA-N 2 2 213.325 0.324 20 0 BCADLP Cn1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000629654526 361559207 /nfs/dbraw/zinc/55/92/07/361559207.db2.gz QKJRGMSDKDWCEP-LBPRGKRZSA-N 2 2 222.336 0.100 20 0 BCADLP Cn1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000629654526 361559213 /nfs/dbraw/zinc/55/92/13/361559213.db2.gz QKJRGMSDKDWCEP-LBPRGKRZSA-N 2 2 222.336 0.100 20 0 BCADLP Cn1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1 ZINC000629648437 361540629 /nfs/dbraw/zinc/54/06/29/361540629.db2.gz NMFLVZMGHHAWJN-NSHDSACASA-N 2 2 209.293 0.103 20 0 BCADLP COCc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)o1 ZINC000629649006 361543056 /nfs/dbraw/zinc/54/30/56/361543056.db2.gz DQQRUJPIALTWNX-GDNZZTSVSA-N 2 2 222.288 0.733 20 0 BCADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000629660295 361566117 /nfs/dbraw/zinc/56/61/17/361566117.db2.gz REZSLBREMGAETR-GRYCIOLGSA-N 3 2 211.353 0.716 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)Cc1[nH]ncc1C ZINC000629652657 361551373 /nfs/dbraw/zinc/55/13/73/361551373.db2.gz BDQFFELRKITLTB-UHFFFAOYSA-N 2 2 226.324 0.386 20 0 BCADLP C[NH2+]CCOCC[N@H+](C)Cc1n[nH]cc1C ZINC000629652657 361551375 /nfs/dbraw/zinc/55/13/75/361551375.db2.gz BDQFFELRKITLTB-UHFFFAOYSA-N 2 2 226.324 0.386 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)Cc1n[nH]cc1C ZINC000629652657 361551378 /nfs/dbraw/zinc/55/13/78/361551378.db2.gz BDQFFELRKITLTB-UHFFFAOYSA-N 2 2 226.324 0.386 20 0 BCADLP COC[C@@]1(C)C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000629673649 361596848 /nfs/dbraw/zinc/59/68/48/361596848.db2.gz AGJFNWSUXRAOFB-QWHCGFSZSA-N 2 2 242.363 0.723 20 0 BCADLP COC[C@@]1(C)C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000629673649 361596850 /nfs/dbraw/zinc/59/68/50/361596850.db2.gz AGJFNWSUXRAOFB-QWHCGFSZSA-N 2 2 242.363 0.723 20 0 BCADLP O=C(CCn1cc[nH+]c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435240836 201257027 /nfs/dbraw/zinc/25/70/27/201257027.db2.gz QPWXDNMTWRFCLF-GFCCVEGCSA-N 2 2 248.330 0.626 20 0 BCADLP OCc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000309995411 491159619 /nfs/dbraw/zinc/15/96/19/491159619.db2.gz BYXMSCRILKNRGK-NXEZZACHSA-N 2 2 222.288 0.423 20 0 BCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cncs1 ZINC000154289068 201272810 /nfs/dbraw/zinc/27/28/10/201272810.db2.gz GHFCQMUIRYENSE-RKDXNWHRSA-N 2 2 229.349 0.716 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000435868904 201289483 /nfs/dbraw/zinc/28/94/83/201289483.db2.gz AIQBXMKJHKTYFX-SECBINFHSA-N 2 2 240.269 0.985 20 0 BCADLP C[NH2+]CCC[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000435868904 201289486 /nfs/dbraw/zinc/28/94/86/201289486.db2.gz AIQBXMKJHKTYFX-SECBINFHSA-N 2 2 240.269 0.985 20 0 BCADLP OCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000436481113 201328597 /nfs/dbraw/zinc/32/85/97/201328597.db2.gz OWTJHHOGAOAQLM-UHFFFAOYSA-N 2 2 235.331 0.628 20 0 BCADLP Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cn1 ZINC000155879713 201361903 /nfs/dbraw/zinc/36/19/03/201361903.db2.gz GVAPJRORNZEYOF-CQSZACIVSA-N 2 2 248.374 0.725 20 0 BCADLP Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cn1 ZINC000155879713 201361906 /nfs/dbraw/zinc/36/19/06/201361906.db2.gz GVAPJRORNZEYOF-CQSZACIVSA-N 2 2 248.374 0.725 20 0 BCADLP Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cn1 ZINC000155879809 201362797 /nfs/dbraw/zinc/36/27/97/201362797.db2.gz GVAPJRORNZEYOF-AWEZNQCLSA-N 2 2 248.374 0.725 20 0 BCADLP Cc1ccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cn1 ZINC000155879809 201362798 /nfs/dbraw/zinc/36/27/98/201362798.db2.gz GVAPJRORNZEYOF-AWEZNQCLSA-N 2 2 248.374 0.725 20 0 BCADLP C[NH+](C)CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000074748562 541322972 /nfs/dbraw/zinc/32/29/72/541322972.db2.gz SXTSWEIEPILPAP-UHFFFAOYSA-N 2 2 232.287 0.626 20 0 BCADLP C[C@H]1CC[C@@H]([NH2+]Cc2cnn(C)c2)C[NH2+]1 ZINC000398945658 364203499 /nfs/dbraw/zinc/20/34/99/364203499.db2.gz ARDMZSJZBIQNFC-GXSJLCMTSA-N 2 2 208.309 0.650 20 0 BCADLP CCc1cc(N2C[C@@H]3C[C@H]2C[NH2+]3)nc(C)[nH+]1 ZINC000630553091 364247416 /nfs/dbraw/zinc/24/74/16/364247416.db2.gz DWZHGHZDVKUECB-QWRGUYRKSA-N 2 2 218.304 0.898 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@@H](CO)C1 ZINC000631670964 364261607 /nfs/dbraw/zinc/26/16/07/364261607.db2.gz ZCQGFXAPSZRICG-DCQANWLSSA-N 2 2 224.348 0.830 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@@H](CO)C1 ZINC000631670964 364261614 /nfs/dbraw/zinc/26/16/14/364261614.db2.gz ZCQGFXAPSZRICG-DCQANWLSSA-N 2 2 224.348 0.830 20 0 BCADLP Cc1n[nH]cc1C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000398956736 364279409 /nfs/dbraw/zinc/27/94/09/364279409.db2.gz IRPBKSGFGBXDAW-KCJUWKMLSA-N 2 2 208.309 0.948 20 0 BCADLP Cc1n[nH]cc1C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000398956738 364280552 /nfs/dbraw/zinc/28/05/52/364280552.db2.gz IRPBKSGFGBXDAW-KWQFWETISA-N 2 2 208.309 0.948 20 0 BCADLP Cc1nn(C)cc1C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000398968348 364376942 /nfs/dbraw/zinc/37/69/42/364376942.db2.gz SYVZAKINLBQSGX-BXKDBHETSA-N 2 2 222.336 0.959 20 0 BCADLP COC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248034413 364626259 /nfs/dbraw/zinc/62/62/59/364626259.db2.gz RCEXYVMWIAVOGJ-GHMZBOCLSA-N 2 2 226.320 0.576 20 0 BCADLP COC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248034413 364626264 /nfs/dbraw/zinc/62/62/64/364626264.db2.gz RCEXYVMWIAVOGJ-GHMZBOCLSA-N 2 2 226.320 0.576 20 0 BCADLP COC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248034413 364626268 /nfs/dbraw/zinc/62/62/68/364626268.db2.gz RCEXYVMWIAVOGJ-GHMZBOCLSA-N 2 2 226.320 0.576 20 0 BCADLP COC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248034413 364626270 /nfs/dbraw/zinc/62/62/70/364626270.db2.gz RCEXYVMWIAVOGJ-GHMZBOCLSA-N 2 2 226.320 0.576 20 0 BCADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000615299973 364680165 /nfs/dbraw/zinc/68/01/65/364680165.db2.gz CJWYUKYWUWSPTO-GHMZBOCLSA-N 2 2 236.319 0.434 20 0 BCADLP CCO[C@@H]1C[C@@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000573346862 364807641 /nfs/dbraw/zinc/80/76/41/364807641.db2.gz YGMNYBVEHDFZLJ-WDEREUQCSA-N 2 2 238.335 0.753 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399077772 364782712 /nfs/dbraw/zinc/78/27/12/364782712.db2.gz QPWFHEVLPWCJFG-MXWKQRLJSA-N 2 2 227.352 0.583 20 0 BCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccoc1 ZINC000167431792 364793155 /nfs/dbraw/zinc/79/31/55/364793155.db2.gz JJTJDBOWZOOTKT-MWLCHTKSSA-N 2 2 212.293 0.853 20 0 BCADLP [NH3+]CCCC(=O)NCCCn1cc[nH+]c1 ZINC000020506380 181372136 /nfs/dbraw/zinc/37/21/36/181372136.db2.gz RSCYQAILIHHEMO-UHFFFAOYSA-N 2 2 210.281 0.128 20 0 BCADLP [NH3+]CCCC(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000037027607 181372255 /nfs/dbraw/zinc/37/22/55/181372255.db2.gz YBKMWMFRWDOQDU-UHFFFAOYSA-N 2 2 245.286 0.945 20 0 BCADLP C[C@@H]1CN(c2cc(N3CCCC3)[nH+]cn2)C[C@@H]1[NH3+] ZINC000573823872 364924874 /nfs/dbraw/zinc/92/48/74/364924874.db2.gz JGZFZLFRUOJBRV-MNOVXSKESA-N 2 2 247.346 0.860 20 0 BCADLP C[C@@H]1CN(c2cc(N3CCCC3)[nH+]cn2)C[C@H]1[NH3+] ZINC000573823868 364925157 /nfs/dbraw/zinc/92/51/57/364925157.db2.gz JGZFZLFRUOJBRV-GHMZBOCLSA-N 2 2 247.346 0.860 20 0 BCADLP C[NH2+]Cc1noc([C@@H]2CC[NH2+][C@H]2C(C)C)n1 ZINC000573964264 364956570 /nfs/dbraw/zinc/95/65/70/364956570.db2.gz XSMZXUDQIFIHLD-SCZZXKLOSA-N 2 2 224.308 0.891 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC000573979075 364959874 /nfs/dbraw/zinc/95/98/74/364959874.db2.gz JKWJMUPOEMMGRF-WDEREUQCSA-N 2 2 248.330 0.488 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC000573979075 364959883 /nfs/dbraw/zinc/95/98/83/364959883.db2.gz JKWJMUPOEMMGRF-WDEREUQCSA-N 2 2 248.330 0.488 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000574036528 364972799 /nfs/dbraw/zinc/97/27/99/364972799.db2.gz UHOBHHXJBIIMAT-BDAKNGLRSA-N 2 2 235.287 0.536 20 0 BCADLP [NH3+]CCCN1CC[NH+](Cc2ccccn2)CC1 ZINC000037037848 181381505 /nfs/dbraw/zinc/38/15/05/181381505.db2.gz AUYUGFMZDRHPPY-UHFFFAOYSA-N 2 2 234.347 0.548 20 0 BCADLP [NH3+]CCC[NH+]1CCN(Cc2ccccn2)CC1 ZINC000037037848 181381506 /nfs/dbraw/zinc/38/15/06/181381506.db2.gz AUYUGFMZDRHPPY-UHFFFAOYSA-N 2 2 234.347 0.548 20 0 BCADLP [NH3+]CC[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000050523278 181396362 /nfs/dbraw/zinc/39/63/62/181396362.db2.gz BEEJDEBQNNWEHA-UHFFFAOYSA-N 2 2 239.344 0.181 20 0 BCADLP CO[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000574518560 365080168 /nfs/dbraw/zinc/08/01/68/365080168.db2.gz MYTQSUCQZSOGGI-DDHJBXDOSA-N 2 2 228.336 0.473 20 0 BCADLP CO[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000574518560 365080172 /nfs/dbraw/zinc/08/01/72/365080172.db2.gz MYTQSUCQZSOGGI-DDHJBXDOSA-N 2 2 228.336 0.473 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)[C@H](C)O ZINC000574877648 365166272 /nfs/dbraw/zinc/16/62/72/365166272.db2.gz KYOCXUCBTZCLNN-GRYCIOLGSA-N 2 2 230.352 0.192 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)[C@H](C)O ZINC000574877648 365166277 /nfs/dbraw/zinc/16/62/77/365166277.db2.gz KYOCXUCBTZCLNN-GRYCIOLGSA-N 2 2 230.352 0.192 20 0 BCADLP O=C(CC[C@@H]1CCC[NH2+]C1)NCc1[nH]cc[nH+]1 ZINC000080626072 370801106 /nfs/dbraw/zinc/80/11/06/370801106.db2.gz ZQBISWMHSMSXOA-JTQLQIEISA-N 2 2 236.319 0.806 20 0 BCADLP [NH3+]Cc1cc(C(=O)NCCCn2cc[nH+]c2)co1 ZINC000444206432 193041487 /nfs/dbraw/zinc/04/14/87/193041487.db2.gz QMFXLWNVTHHGJB-UHFFFAOYSA-N 2 2 248.286 0.755 20 0 BCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH+](C)C ZINC000575759561 365356768 /nfs/dbraw/zinc/35/67/68/365356768.db2.gz VFQVBPZWPWNKTM-SNVBAGLBSA-N 2 2 238.335 0.656 20 0 BCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH+](C)C ZINC000575759561 365356773 /nfs/dbraw/zinc/35/67/73/365356773.db2.gz VFQVBPZWPWNKTM-SNVBAGLBSA-N 2 2 238.335 0.656 20 0 BCADLP CC[NH+](CC)C[C@@H](O)C[N@H+](C)CCOC ZINC000379880165 365336105 /nfs/dbraw/zinc/33/61/05/365336105.db2.gz VIQJPZZOUGVMRX-NSHDSACASA-N 2 2 218.341 0.267 20 0 BCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+](C)CCOC ZINC000379880165 365336106 /nfs/dbraw/zinc/33/61/06/365336106.db2.gz VIQJPZZOUGVMRX-NSHDSACASA-N 2 2 218.341 0.267 20 0 BCADLP CC[C@@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000173454066 365424400 /nfs/dbraw/zinc/42/44/00/365424400.db2.gz ABDBFPWCECINGD-LLVKDONJSA-N 2 2 238.335 0.298 20 0 BCADLP C[C@H](CC(=O)NC[C@@H](C)C[NH3+])n1cc[nH+]c1 ZINC000564664542 325802239 /nfs/dbraw/zinc/80/22/39/325802239.db2.gz UTPHIUBXEOZATB-VHSXEESVSA-N 2 2 224.308 0.545 20 0 BCADLP CC(C)[NH+]1CCN(C(=O)CC(F)(F)C[NH3+])CC1 ZINC000564734773 325805983 /nfs/dbraw/zinc/80/59/83/325805983.db2.gz ODHVVELOXLCPFF-UHFFFAOYSA-N 2 2 249.305 0.523 20 0 BCADLP C[C@@H]1COCCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000383826049 541514558 /nfs/dbraw/zinc/51/45/58/541514558.db2.gz RQMHLHAQJOPDKS-DGCLKSJQSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1COCCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000383826049 541514560 /nfs/dbraw/zinc/51/45/60/541514560.db2.gz RQMHLHAQJOPDKS-DGCLKSJQSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1COCCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000383826049 541514562 /nfs/dbraw/zinc/51/45/62/541514562.db2.gz RQMHLHAQJOPDKS-DGCLKSJQSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1COCCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000383826049 541514563 /nfs/dbraw/zinc/51/45/63/541514563.db2.gz RQMHLHAQJOPDKS-DGCLKSJQSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H](CC(=O)N1CC[C@H]([NH3+])C1)n1cc[nH+]c1 ZINC000581019231 367238724 /nfs/dbraw/zinc/23/87/24/367238724.db2.gz TZDWBYKTPZFWEH-ZJUUUORDSA-N 2 2 222.292 0.394 20 0 BCADLP C[C@H](CC(=O)NCC[NH+]1CCC1)n1cc[nH+]c1 ZINC000581315113 367343642 /nfs/dbraw/zinc/34/36/42/367343642.db2.gz QWKWFGDLMNTWKT-LLVKDONJSA-N 2 2 236.319 0.656 20 0 BCADLP CC[C@H](C)[N@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000380971545 367326699 /nfs/dbraw/zinc/32/66/99/367326699.db2.gz APWHGKLVMCSBEV-NWDGAFQWSA-N 2 2 232.368 0.656 20 0 BCADLP CC[C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000380971545 367326705 /nfs/dbraw/zinc/32/67/05/367326705.db2.gz APWHGKLVMCSBEV-NWDGAFQWSA-N 2 2 232.368 0.656 20 0 BCADLP CC[C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)CCOC ZINC000380971545 367326709 /nfs/dbraw/zinc/32/67/09/367326709.db2.gz APWHGKLVMCSBEV-NWDGAFQWSA-N 2 2 232.368 0.656 20 0 BCADLP CC[C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)CCOC ZINC000380971545 367326715 /nfs/dbraw/zinc/32/67/15/367326715.db2.gz APWHGKLVMCSBEV-NWDGAFQWSA-N 2 2 232.368 0.656 20 0 BCADLP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)S(C)(=O)=O ZINC000381531718 367426064 /nfs/dbraw/zinc/42/60/64/367426064.db2.gz ZJTWUDYUPLZZHN-OUAUKWLOSA-N 2 2 248.392 0.492 20 0 BCADLP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)S(C)(=O)=O ZINC000381531718 367426073 /nfs/dbraw/zinc/42/60/73/367426073.db2.gz ZJTWUDYUPLZZHN-OUAUKWLOSA-N 2 2 248.392 0.492 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)CCOC[C@H]1CCCO1 ZINC000381423036 367400720 /nfs/dbraw/zinc/40/07/20/367400720.db2.gz XWZYRIYYYZUPBZ-GHMZBOCLSA-N 2 2 216.325 0.461 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)CCOC[C@H]1CCCO1 ZINC000381423036 367400725 /nfs/dbraw/zinc/40/07/25/367400725.db2.gz XWZYRIYYYZUPBZ-GHMZBOCLSA-N 2 2 216.325 0.461 20 0 BCADLP C[NH2+]CC[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000382191404 367495883 /nfs/dbraw/zinc/49/58/83/367495883.db2.gz HSFSROZKSKPUFC-GHMZBOCLSA-N 2 2 200.326 0.689 20 0 BCADLP C[NH2+]CC[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000382191404 367495888 /nfs/dbraw/zinc/49/58/88/367495888.db2.gz HSFSROZKSKPUFC-GHMZBOCLSA-N 2 2 200.326 0.689 20 0 BCADLP C[C@H]([NH2+]C1CC1)C(=O)NCCCn1cc[nH+]c1 ZINC000383189988 367605025 /nfs/dbraw/zinc/60/50/25/367605025.db2.gz UCJREXDLCFHYNT-JTQLQIEISA-N 2 2 236.319 0.530 20 0 BCADLP CC[NH+](C[C@@H](C)OC)C[C@H](O)C[N@@H+](C)CC ZINC000383102706 367596791 /nfs/dbraw/zinc/59/67/91/367596791.db2.gz CCUZGWJIPXXCRZ-VXGBXAGGSA-N 2 2 232.368 0.656 20 0 BCADLP CC[NH+](C[C@@H](C)OC)C[C@H](O)C[N@H+](C)CC ZINC000383102706 367596798 /nfs/dbraw/zinc/59/67/98/367596798.db2.gz CCUZGWJIPXXCRZ-VXGBXAGGSA-N 2 2 232.368 0.656 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](CC)C[C@@H](C)OC ZINC000383102706 367596802 /nfs/dbraw/zinc/59/68/02/367596802.db2.gz CCUZGWJIPXXCRZ-VXGBXAGGSA-N 2 2 232.368 0.656 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)C[C@@H](C)OC ZINC000383102706 367596806 /nfs/dbraw/zinc/59/68/06/367596806.db2.gz CCUZGWJIPXXCRZ-VXGBXAGGSA-N 2 2 232.368 0.656 20 0 BCADLP CC[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000383604202 367643631 /nfs/dbraw/zinc/64/36/31/367643631.db2.gz RBLHOMJXPZPHJG-CHWSQXEVSA-N 2 2 244.379 0.657 20 0 BCADLP CC[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000383604202 367643636 /nfs/dbraw/zinc/64/36/36/367643636.db2.gz RBLHOMJXPZPHJG-CHWSQXEVSA-N 2 2 244.379 0.657 20 0 BCADLP CC[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000383604202 367643640 /nfs/dbraw/zinc/64/36/40/367643640.db2.gz RBLHOMJXPZPHJG-CHWSQXEVSA-N 2 2 244.379 0.657 20 0 BCADLP CC[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000383604202 367643645 /nfs/dbraw/zinc/64/36/45/367643645.db2.gz RBLHOMJXPZPHJG-CHWSQXEVSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@H](C)C1 ZINC000383764553 367652818 /nfs/dbraw/zinc/65/28/18/367652818.db2.gz MDUPCFFNQSQCKQ-XQQFMLRXSA-N 2 2 244.379 0.513 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@H](C)C1 ZINC000383764553 367652819 /nfs/dbraw/zinc/65/28/19/367652819.db2.gz MDUPCFFNQSQCKQ-XQQFMLRXSA-N 2 2 244.379 0.513 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000383764553 367652820 /nfs/dbraw/zinc/65/28/20/367652820.db2.gz MDUPCFFNQSQCKQ-XQQFMLRXSA-N 2 2 244.379 0.513 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000383764553 367652821 /nfs/dbraw/zinc/65/28/21/367652821.db2.gz MDUPCFFNQSQCKQ-XQQFMLRXSA-N 2 2 244.379 0.513 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000383764494 367653041 /nfs/dbraw/zinc/65/30/41/367653041.db2.gz MDUPCFFNQSQCKQ-AVGNSLFASA-N 2 2 244.379 0.513 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000383764494 367653045 /nfs/dbraw/zinc/65/30/45/367653045.db2.gz MDUPCFFNQSQCKQ-AVGNSLFASA-N 2 2 244.379 0.513 20 0 BCADLP CCn1cc(C[N@H+](C)C2CC([NH3+])C2)cn1 ZINC000384775964 367729712 /nfs/dbraw/zinc/72/97/12/367729712.db2.gz SRCAKUKBYMIIOK-UHFFFAOYSA-N 2 2 208.309 0.825 20 0 BCADLP CCn1cc(C[N@@H+](C)C2CC([NH3+])C2)cn1 ZINC000384775964 367729716 /nfs/dbraw/zinc/72/97/16/367729716.db2.gz SRCAKUKBYMIIOK-UHFFFAOYSA-N 2 2 208.309 0.825 20 0 BCADLP CC(C)[C@@H](C)NC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000385023167 367773706 /nfs/dbraw/zinc/77/37/06/367773706.db2.gz OTDXUNJQTYWBEF-KPPDAEKUSA-N 2 2 227.352 0.569 20 0 BCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000385023167 367773708 /nfs/dbraw/zinc/77/37/08/367773708.db2.gz OTDXUNJQTYWBEF-KPPDAEKUSA-N 2 2 227.352 0.569 20 0 BCADLP C[N@H+](CCn1cncn1)C1(C[NH3+])CCC1 ZINC000385383611 367824778 /nfs/dbraw/zinc/82/47/78/367824778.db2.gz ZOXBJMZRKPCTCA-UHFFFAOYSA-N 2 2 209.297 0.091 20 0 BCADLP C[N@@H+](CCn1cncn1)C1(C[NH3+])CCC1 ZINC000385383611 367824782 /nfs/dbraw/zinc/82/47/82/367824782.db2.gz ZOXBJMZRKPCTCA-UHFFFAOYSA-N 2 2 209.297 0.091 20 0 BCADLP CCN1C[C@H]([NH2+]Cc2c[nH+]c(C)n2C)CC1=O ZINC000581835692 367840275 /nfs/dbraw/zinc/84/02/75/367840275.db2.gz HJVJWXPAVLNADY-SNVBAGLBSA-N 2 2 236.319 0.439 20 0 BCADLP c1ncn(CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000385582134 367843988 /nfs/dbraw/zinc/84/39/88/367843988.db2.gz FZRIJXUMYKFGTD-QWHCGFSZSA-N 2 2 249.362 0.885 20 0 BCADLP c1ncn(CC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000385582134 367843994 /nfs/dbraw/zinc/84/39/94/367843994.db2.gz FZRIJXUMYKFGTD-QWHCGFSZSA-N 2 2 249.362 0.885 20 0 BCADLP C[C@H]1[C@H](CO)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000385620499 367848024 /nfs/dbraw/zinc/84/80/24/367848024.db2.gz GZHKQQAVFNJCOD-QWRGUYRKSA-N 2 2 209.293 0.586 20 0 BCADLP C[C@H]1[C@H](CO)CC[N@H+]1CCn1cc[nH+]c1 ZINC000385620499 367848031 /nfs/dbraw/zinc/84/80/31/367848031.db2.gz GZHKQQAVFNJCOD-QWRGUYRKSA-N 2 2 209.293 0.586 20 0 BCADLP CCCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613552 367918774 /nfs/dbraw/zinc/91/87/74/367918774.db2.gz MKKJTPJRBQGHQS-JTQLQIEISA-N 2 2 213.325 0.278 20 0 BCADLP CCCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613552 367918781 /nfs/dbraw/zinc/91/87/81/367918781.db2.gz MKKJTPJRBQGHQS-JTQLQIEISA-N 2 2 213.325 0.278 20 0 BCADLP CC[C@@H]([NH2+]CC[N@H+](C)CCOC)[C@@H]1CCOC1 ZINC000159400740 201679359 /nfs/dbraw/zinc/67/93/59/201679359.db2.gz PCABHIGOANBRCI-CHWSQXEVSA-N 2 2 244.379 0.969 20 0 BCADLP CC[C@@H]([NH2+]CC[N@@H+](C)CCOC)[C@@H]1CCOC1 ZINC000159400740 201679363 /nfs/dbraw/zinc/67/93/63/201679363.db2.gz PCABHIGOANBRCI-CHWSQXEVSA-N 2 2 244.379 0.969 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC12CCC2 ZINC000566569581 326065296 /nfs/dbraw/zinc/06/52/96/326065296.db2.gz XSNDJXCBXAKSFY-GFCCVEGCSA-N 2 2 242.363 0.554 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC12CCC2 ZINC000566569581 326065297 /nfs/dbraw/zinc/06/52/97/326065297.db2.gz XSNDJXCBXAKSFY-GFCCVEGCSA-N 2 2 242.363 0.554 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC12CCC2 ZINC000566569581 326065299 /nfs/dbraw/zinc/06/52/99/326065299.db2.gz XSNDJXCBXAKSFY-GFCCVEGCSA-N 2 2 242.363 0.554 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC12CCC2 ZINC000566569581 326065300 /nfs/dbraw/zinc/06/53/00/326065300.db2.gz XSNDJXCBXAKSFY-GFCCVEGCSA-N 2 2 242.363 0.554 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CC1(O)CCC1 ZINC000566569508 326065345 /nfs/dbraw/zinc/06/53/45/326065345.db2.gz VMECHYMJXMHEPG-LLVKDONJSA-N 2 2 230.352 0.146 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CC1(O)CCC1 ZINC000566569508 326065348 /nfs/dbraw/zinc/06/53/48/326065348.db2.gz VMECHYMJXMHEPG-LLVKDONJSA-N 2 2 230.352 0.146 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CC1(O)CCC1 ZINC000566569508 326065349 /nfs/dbraw/zinc/06/53/49/326065349.db2.gz VMECHYMJXMHEPG-LLVKDONJSA-N 2 2 230.352 0.146 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CC1(O)CCC1 ZINC000566569508 326065352 /nfs/dbraw/zinc/06/53/52/326065352.db2.gz VMECHYMJXMHEPG-LLVKDONJSA-N 2 2 230.352 0.146 20 0 BCADLP CCOC(=O)C[N@H+](CC)CCc1c[nH+]cn1C ZINC000566663908 326071867 /nfs/dbraw/zinc/07/18/67/326071867.db2.gz BIGSWNRTEJSNFZ-UHFFFAOYSA-N 2 2 239.319 0.848 20 0 BCADLP CCOC(=O)C[N@@H+](CC)CCc1c[nH+]cn1C ZINC000566663908 326071868 /nfs/dbraw/zinc/07/18/68/326071868.db2.gz BIGSWNRTEJSNFZ-UHFFFAOYSA-N 2 2 239.319 0.848 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCC[C@H](C)O)n1C ZINC000566749664 326080287 /nfs/dbraw/zinc/08/02/87/326080287.db2.gz WCJGMLLAYNLUSA-VIFPVBQESA-N 2 2 211.309 0.979 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCOC[C@@H]1CCCO1 ZINC000566788381 326082845 /nfs/dbraw/zinc/08/28/45/326082845.db2.gz ZIPBWPAJJKLNHN-SRVKXCTJSA-N 2 2 228.336 0.604 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCOC[C@@H]1CCCO1 ZINC000566788381 326082847 /nfs/dbraw/zinc/08/28/47/326082847.db2.gz ZIPBWPAJJKLNHN-SRVKXCTJSA-N 2 2 228.336 0.604 20 0 BCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000086271968 368877752 /nfs/dbraw/zinc/87/77/52/368877752.db2.gz SKHIEGYSZYCWJN-RKDXNWHRSA-N 2 2 222.292 0.034 20 0 BCADLP C[N@@H+]1CCN(Cc2ccsc2)[C@H](C[NH3+])C1 ZINC000087613381 368895658 /nfs/dbraw/zinc/89/56/58/368895658.db2.gz ZNMMDTFAKSRUIL-LLVKDONJSA-N 2 2 225.361 0.823 20 0 BCADLP C[N@H+]1CCN(Cc2ccsc2)[C@H](C[NH3+])C1 ZINC000087613381 368895664 /nfs/dbraw/zinc/89/56/64/368895664.db2.gz ZNMMDTFAKSRUIL-LLVKDONJSA-N 2 2 225.361 0.823 20 0 BCADLP Cc1ncsc1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613431 368895891 /nfs/dbraw/zinc/89/58/91/368895891.db2.gz IULGXGPWDJYWGW-JTQLQIEISA-N 2 2 240.376 0.526 20 0 BCADLP Cc1ncsc1CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613431 368895895 /nfs/dbraw/zinc/89/58/95/368895895.db2.gz IULGXGPWDJYWGW-JTQLQIEISA-N 2 2 240.376 0.526 20 0 BCADLP Cc1nccnc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000631821955 368974533 /nfs/dbraw/zinc/97/45/33/368974533.db2.gz OLFGRRACMZHQAK-GXSJLCMTSA-N 2 2 220.320 0.954 20 0 BCADLP Cc1nccnc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000631821955 368974537 /nfs/dbraw/zinc/97/45/37/368974537.db2.gz OLFGRRACMZHQAK-GXSJLCMTSA-N 2 2 220.320 0.954 20 0 BCADLP c1nc2n(n1)[C@H](C[N@@H+]1CCC[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000631827568 368995020 /nfs/dbraw/zinc/99/50/20/368995020.db2.gz QNHRXLFXJDNNST-SDDRHHMPSA-N 2 2 247.346 0.449 20 0 BCADLP c1nc2n(n1)[C@H](C[N@H+]1CCC[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000631827568 368995026 /nfs/dbraw/zinc/99/50/26/368995026.db2.gz QNHRXLFXJDNNST-SDDRHHMPSA-N 2 2 247.346 0.449 20 0 BCADLP C[NH2+]CCC[N@H+](C)[C@H]1CCN(C2CCC2)C1=O ZINC000631828138 368997969 /nfs/dbraw/zinc/99/79/69/368997969.db2.gz GGAROMLEFUWKLF-LBPRGKRZSA-N 2 2 239.363 0.681 20 0 BCADLP C[NH2+]CCC[N@@H+](C)[C@H]1CCN(C2CCC2)C1=O ZINC000631828138 368997972 /nfs/dbraw/zinc/99/79/72/368997972.db2.gz GGAROMLEFUWKLF-LBPRGKRZSA-N 2 2 239.363 0.681 20 0 BCADLP [NH3+]CC12CC(C1)C[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC000631829745 369005053 /nfs/dbraw/zinc/00/50/53/369005053.db2.gz YOQDYGLKMIMRID-YZRBJQDESA-N 2 2 233.319 0.189 20 0 BCADLP [NH3+]CC12CC(C1)C[N@H+]2C[C@@H]1CCc2ncnn21 ZINC000631829745 369005058 /nfs/dbraw/zinc/00/50/58/369005058.db2.gz YOQDYGLKMIMRID-YZRBJQDESA-N 2 2 233.319 0.189 20 0 BCADLP CC[C@H](C(=O)NC1C[NH+](C(C)C)C1)[NH+](C)C ZINC000457732354 203094794 /nfs/dbraw/zinc/09/47/94/203094794.db2.gz ZHMBNFJHNQBOIF-LLVKDONJSA-N 2 2 227.352 0.535 20 0 BCADLP C[C@H](C(=O)NC(C)(C)C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107579466 369353824 /nfs/dbraw/zinc/35/38/24/369353824.db2.gz PANXLQFFOFELOF-GMTAPVOTSA-N 2 2 239.363 0.441 20 0 BCADLP CO[C@H](C[NH3+])C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000567824515 326263993 /nfs/dbraw/zinc/26/39/93/326263993.db2.gz WICJIYJJOHPAPE-BDAKNGLRSA-N 2 2 240.307 0.197 20 0 BCADLP CO[C@H](C[NH3+])C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000567824518 326264001 /nfs/dbraw/zinc/26/40/01/326264001.db2.gz WICJIYJJOHPAPE-RKDXNWHRSA-N 2 2 240.307 0.197 20 0 BCADLP C[C@@H](C[NH3+])N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000567909096 326281353 /nfs/dbraw/zinc/28/13/53/326281353.db2.gz DCKFBTVRAUEQAY-UWVGGRQHSA-N 2 2 224.308 0.640 20 0 BCADLP OCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000631863112 369600325 /nfs/dbraw/zinc/60/03/25/369600325.db2.gz QZRNOGBYCDMHDF-UHFFFAOYSA-N 2 2 235.331 0.628 20 0 BCADLP C[C@@H](NC(=O)C1([NH+](C)C)CC1)c1[nH+]ccn1C ZINC000620606974 369956016 /nfs/dbraw/zinc/95/60/16/369956016.db2.gz CJUXFRCESDQZHB-SECBINFHSA-N 2 2 236.319 0.692 20 0 BCADLP CC(C)[N@H+](C)CC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620597399 369948155 /nfs/dbraw/zinc/94/81/55/369948155.db2.gz ZRUNQAQLDYVDEP-JTQLQIEISA-N 2 2 238.335 0.938 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620597399 369948157 /nfs/dbraw/zinc/94/81/57/369948157.db2.gz ZRUNQAQLDYVDEP-JTQLQIEISA-N 2 2 238.335 0.938 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000309759206 370255708 /nfs/dbraw/zinc/25/57/08/370255708.db2.gz IHDLZHPFRMLUIP-WOPDTQHZSA-N 3 2 211.353 0.798 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000309759206 370255714 /nfs/dbraw/zinc/25/57/14/370255714.db2.gz IHDLZHPFRMLUIP-WOPDTQHZSA-N 3 2 211.353 0.798 20 0 BCADLP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000309831901 370266217 /nfs/dbraw/zinc/26/62/17/370266217.db2.gz YSQMRVKDWGGRMO-WOPDTQHZSA-N 3 2 211.353 0.655 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000309831901 370266220 /nfs/dbraw/zinc/26/62/20/370266220.db2.gz YSQMRVKDWGGRMO-WOPDTQHZSA-N 3 2 211.353 0.655 20 0 BCADLP C[C@H]1CC[N@H+](CCn2cc[nH+]c2)C[C@H]1CO ZINC000621372159 370309143 /nfs/dbraw/zinc/30/91/43/370309143.db2.gz QKRNBVAALMLAHW-RYUDHWBXSA-N 2 2 223.320 0.833 20 0 BCADLP C[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C[C@H]1CO ZINC000621372159 370309146 /nfs/dbraw/zinc/30/91/46/370309146.db2.gz QKRNBVAALMLAHW-RYUDHWBXSA-N 2 2 223.320 0.833 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)C1CC1 ZINC000310520296 370350595 /nfs/dbraw/zinc/35/05/95/370350595.db2.gz LVIFPYIUHZRPFY-WCQYABFASA-N 2 2 244.379 0.656 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)C1CC1 ZINC000310520296 370350600 /nfs/dbraw/zinc/35/06/00/370350600.db2.gz LVIFPYIUHZRPFY-WCQYABFASA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)C1CC1 ZINC000310520296 370350604 /nfs/dbraw/zinc/35/06/04/370350604.db2.gz LVIFPYIUHZRPFY-WCQYABFASA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000310520296 370350609 /nfs/dbraw/zinc/35/06/09/370350609.db2.gz LVIFPYIUHZRPFY-WCQYABFASA-N 2 2 244.379 0.656 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCCCC1 ZINC000310349942 370337355 /nfs/dbraw/zinc/33/73/55/370337355.db2.gz GWHXAUYAABUKLT-ZDUSSCGKSA-N 2 2 244.379 0.802 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCCCC1 ZINC000310349942 370337361 /nfs/dbraw/zinc/33/73/61/370337361.db2.gz GWHXAUYAABUKLT-ZDUSSCGKSA-N 2 2 244.379 0.802 20 0 BCADLP O=C(CC[C@H]1CCC[NH2+]C1)Nc1cc[nH+]cc1O ZINC000621652749 370413028 /nfs/dbraw/zinc/41/30/28/370413028.db2.gz DVRYPRYWAVHKOY-SNVBAGLBSA-N 2 2 249.314 0.927 20 0 BCADLP C[C@H]([NH3+])CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000621703761 370452219 /nfs/dbraw/zinc/45/22/19/370452219.db2.gz DMRROWUDYDJWIZ-VHSXEESVSA-N 2 2 236.319 0.299 20 0 BCADLP C[C@@H](C(=O)NCc1[nH]cc[nH+]1)[NH+]1CC(C)C1 ZINC000568374805 326351020 /nfs/dbraw/zinc/35/10/20/326351020.db2.gz FTUUBWWXDFAFIE-VIFPVBQESA-N 2 2 222.292 0.366 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)n1C ZINC000621728338 370480257 /nfs/dbraw/zinc/48/02/57/370480257.db2.gz MBRDZHUSYYCFQO-JTQLQIEISA-N 2 2 236.319 0.426 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](CC(N)=O)C2)n1C ZINC000621728338 370480259 /nfs/dbraw/zinc/48/02/59/370480259.db2.gz MBRDZHUSYYCFQO-JTQLQIEISA-N 2 2 236.319 0.426 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621784281 370536345 /nfs/dbraw/zinc/53/63/45/370536345.db2.gz MIQWJCCXXYPRSP-JFGNBEQYSA-N 2 2 225.336 0.276 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621784281 370536347 /nfs/dbraw/zinc/53/63/47/370536347.db2.gz MIQWJCCXXYPRSP-JFGNBEQYSA-N 2 2 225.336 0.276 20 0 BCADLP [NH3+][C@]12CCC[C@H]1C[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000621777300 370525515 /nfs/dbraw/zinc/52/55/15/370525515.db2.gz ABNXYQHTMGUWHA-AVGNSLFASA-N 3 2 223.364 0.799 20 0 BCADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000621777300 370525522 /nfs/dbraw/zinc/52/55/22/370525522.db2.gz ABNXYQHTMGUWHA-AVGNSLFASA-N 3 2 223.364 0.799 20 0 BCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621780980 370529012 /nfs/dbraw/zinc/52/90/12/370529012.db2.gz YBCQZTBKAAXAFQ-GVXVVHGQSA-N 2 2 239.363 0.714 20 0 BCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621780980 370529017 /nfs/dbraw/zinc/52/90/17/370529017.db2.gz YBCQZTBKAAXAFQ-GVXVVHGQSA-N 2 2 239.363 0.714 20 0 BCADLP CC(C)[N@H+](C)CC(=O)NCCc1cn(C)c[nH+]1 ZINC000622685625 371062311 /nfs/dbraw/zinc/06/23/11/371062311.db2.gz BMYATSINOREAFR-UHFFFAOYSA-N 2 2 238.335 0.419 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)NCCc1cn(C)c[nH+]1 ZINC000622685625 371062316 /nfs/dbraw/zinc/06/23/16/371062316.db2.gz BMYATSINOREAFR-UHFFFAOYSA-N 2 2 238.335 0.419 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C[C@H](C)O1 ZINC000623838259 371120143 /nfs/dbraw/zinc/12/01/43/371120143.db2.gz MSCCSYOYJUICKP-LOWDOPEQSA-N 2 2 242.363 0.599 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)C[C@H](C)O1 ZINC000623838259 371120146 /nfs/dbraw/zinc/12/01/46/371120146.db2.gz MSCCSYOYJUICKP-LOWDOPEQSA-N 2 2 242.363 0.599 20 0 BCADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)C1CCC1 ZINC000624227143 371414901 /nfs/dbraw/zinc/41/49/01/371414901.db2.gz IESSWSHKSPCWDB-ZYHUDNBSSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)C1CCC1 ZINC000624227143 371414907 /nfs/dbraw/zinc/41/49/07/371414907.db2.gz IESSWSHKSPCWDB-ZYHUDNBSSA-N 2 2 212.337 0.831 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+]C2Cc3ccccc3C2)C1 ZINC000624227641 371415104 /nfs/dbraw/zinc/41/51/04/371415104.db2.gz WEXQOVAFFKWBGG-OAHLLOKOSA-N 2 2 246.354 0.810 20 0 BCADLP O[C@@H]1CC[N@@H+](CC[NH2+]C2Cc3ccccc3C2)C1 ZINC000624227641 371415106 /nfs/dbraw/zinc/41/51/06/371415106.db2.gz WEXQOVAFFKWBGG-OAHLLOKOSA-N 2 2 246.354 0.810 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCCSCC2)C1 ZINC000624338820 371488225 /nfs/dbraw/zinc/48/82/25/371488225.db2.gz FCNOIGOYOBQDAU-NEPJUHHUSA-N 2 2 244.404 0.928 20 0 BCADLP O[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCSCC2)C1 ZINC000624338820 371488231 /nfs/dbraw/zinc/48/82/31/371488231.db2.gz FCNOIGOYOBQDAU-NEPJUHHUSA-N 2 2 244.404 0.928 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21 ZINC000627654602 371812143 /nfs/dbraw/zinc/81/21/43/371812143.db2.gz HRRMDPNCQYUOSK-PJXYFTJBSA-N 2 2 248.330 0.361 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21 ZINC000627654602 371812149 /nfs/dbraw/zinc/81/21/49/371812149.db2.gz HRRMDPNCQYUOSK-PJXYFTJBSA-N 2 2 248.330 0.361 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC[C@@H](O)C(F)F ZINC000631217106 372236558 /nfs/dbraw/zinc/23/65/58/372236558.db2.gz RHDRSKPBMVPKKG-HRDYMLBCSA-N 2 2 222.279 0.542 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC[C@@H](O)C(F)F ZINC000631217106 372236568 /nfs/dbraw/zinc/23/65/68/372236568.db2.gz RHDRSKPBMVPKKG-HRDYMLBCSA-N 2 2 222.279 0.542 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CC[C@@H](O)C(F)F)n1C ZINC000631214940 372237009 /nfs/dbraw/zinc/23/70/09/372237009.db2.gz FELIFYSHYCECRN-SECBINFHSA-N 2 2 233.262 0.834 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CN(c2ccncn2)C1 ZINC000631258360 372265435 /nfs/dbraw/zinc/26/54/35/372265435.db2.gz QWAFQFGOIUDAKK-JQWIXIFHSA-N 2 2 247.346 0.205 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CN(c2ccncn2)C1 ZINC000631258360 372265441 /nfs/dbraw/zinc/26/54/41/372265441.db2.gz QWAFQFGOIUDAKK-JQWIXIFHSA-N 2 2 247.346 0.205 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CN(c2ccncn2)C1 ZINC000631258362 372265861 /nfs/dbraw/zinc/26/58/61/372265861.db2.gz QWAFQFGOIUDAKK-PWSUYJOCSA-N 2 2 247.346 0.205 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CN(c2ccncn2)C1 ZINC000631258362 372265864 /nfs/dbraw/zinc/26/58/64/372265864.db2.gz QWAFQFGOIUDAKK-PWSUYJOCSA-N 2 2 247.346 0.205 20 0 BCADLP c1nc2n(n1)[C@H](C[N@H+](C1CC1)[C@H]1CC[NH2+]C1)CC2 ZINC000631822794 372600878 /nfs/dbraw/zinc/60/08/78/372600878.db2.gz OPHCZJDRCZEVRT-RYUDHWBXSA-N 2 2 247.346 0.592 20 0 BCADLP c1nc2n(n1)[C@H](C[N@@H+](C1CC1)[C@H]1CC[NH2+]C1)CC2 ZINC000631822794 372600883 /nfs/dbraw/zinc/60/08/83/372600883.db2.gz OPHCZJDRCZEVRT-RYUDHWBXSA-N 2 2 247.346 0.592 20 0 BCADLP Cc1nccnc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000631821090 372595137 /nfs/dbraw/zinc/59/51/37/372595137.db2.gz OHLTXEURFUTWML-UHFFFAOYSA-N 2 2 220.320 0.969 20 0 BCADLP Cc1nccnc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000631821090 372595142 /nfs/dbraw/zinc/59/51/42/372595142.db2.gz OHLTXEURFUTWML-UHFFFAOYSA-N 2 2 220.320 0.969 20 0 BCADLP C[NH2+]C1CC[NH+](Cc2nccnc2C)CC1 ZINC000631822029 372596847 /nfs/dbraw/zinc/59/68/47/372596847.db2.gz QTIQTIHSXHSLBJ-UHFFFAOYSA-N 2 2 220.320 0.969 20 0 BCADLP c1nc2n(n1)[C@H](C[NH+]1CCC3(CC[NH2+]3)CC1)CC2 ZINC000631828693 372608689 /nfs/dbraw/zinc/60/86/89/372608689.db2.gz VUQGDPDOZDJEKH-NSHDSACASA-N 2 2 247.346 0.593 20 0 BCADLP Cc1nccnc1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000631828643 372608855 /nfs/dbraw/zinc/60/88/55/372608855.db2.gz URJYMSCAHVTDHV-NSHDSACASA-N 2 2 236.319 0.335 20 0 BCADLP Cc1nccnc1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000631828643 372608861 /nfs/dbraw/zinc/60/88/61/372608861.db2.gz URJYMSCAHVTDHV-NSHDSACASA-N 2 2 236.319 0.335 20 0 BCADLP c1nc2n(n1)[C@@H](C[NH+]1CCC3(CC[NH2+]3)CC1)CC2 ZINC000631828692 372609229 /nfs/dbraw/zinc/60/92/29/372609229.db2.gz VUQGDPDOZDJEKH-LLVKDONJSA-N 2 2 247.346 0.593 20 0 BCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccn1 ZINC000631829078 372611250 /nfs/dbraw/zinc/61/12/50/372611250.db2.gz GJNKWQYULUKVHU-GHMZBOCLSA-N 2 2 248.330 0.880 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631832083 372616033 /nfs/dbraw/zinc/61/60/33/372616033.db2.gz YFZKBMWGUGCVOU-NSHDSACASA-N 2 2 227.352 0.714 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631832083 372616036 /nfs/dbraw/zinc/61/60/36/372616036.db2.gz YFZKBMWGUGCVOU-NSHDSACASA-N 2 2 227.352 0.714 20 0 BCADLP [NH3+][C@H]1CCCCC[N@H+](CCN2CCOCC2)C1 ZINC000631833920 372618016 /nfs/dbraw/zinc/61/80/16/372618016.db2.gz LMGOJPRNGWNXKP-ZDUSSCGKSA-N 2 2 241.379 0.522 20 0 BCADLP [NH3+][C@H]1CCCCC[N@@H+](CCN2CCOCC2)C1 ZINC000631833920 372618020 /nfs/dbraw/zinc/61/80/20/372618020.db2.gz LMGOJPRNGWNXKP-ZDUSSCGKSA-N 2 2 241.379 0.522 20 0 BCADLP [NH3+][C@H]1CCCCCN(CC[NH+]2CCOCC2)C1 ZINC000631833920 372618028 /nfs/dbraw/zinc/61/80/28/372618028.db2.gz LMGOJPRNGWNXKP-ZDUSSCGKSA-N 2 2 241.379 0.522 20 0 BCADLP [NH3+][C@H]1CCCCC[N@H+](CCn2cncn2)C1 ZINC000631833524 372618741 /nfs/dbraw/zinc/61/87/41/372618741.db2.gz CCSBPGQCLNFVBR-NSHDSACASA-N 2 2 223.324 0.481 20 0 BCADLP [NH3+][C@H]1CCCCC[N@@H+](CCn2cncn2)C1 ZINC000631833524 372618749 /nfs/dbraw/zinc/61/87/49/372618749.db2.gz CCSBPGQCLNFVBR-NSHDSACASA-N 2 2 223.324 0.481 20 0 BCADLP COCCOCC[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631833639 372618895 /nfs/dbraw/zinc/61/88/95/372618895.db2.gz FDRSTOIUBHKFIN-GFCCVEGCSA-N 2 2 230.352 0.853 20 0 BCADLP COCCOCC[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631833639 372618902 /nfs/dbraw/zinc/61/89/02/372618902.db2.gz FDRSTOIUBHKFIN-GFCCVEGCSA-N 2 2 230.352 0.853 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834628 372619895 /nfs/dbraw/zinc/61/98/95/372619895.db2.gz BVSWXYFYXYVXHE-UWVGGRQHSA-N 2 2 213.325 0.454 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834628 372619901 /nfs/dbraw/zinc/61/99/01/372619901.db2.gz BVSWXYFYXYVXHE-UWVGGRQHSA-N 2 2 213.325 0.454 20 0 BCADLP CCCn1ncnc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838054 372632458 /nfs/dbraw/zinc/63/24/58/372632458.db2.gz ZGOSFKPLWIZMAK-GHMZBOCLSA-N 2 2 237.351 0.715 20 0 BCADLP CCCn1ncnc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838054 372632460 /nfs/dbraw/zinc/63/24/60/372632460.db2.gz ZGOSFKPLWIZMAK-GHMZBOCLSA-N 2 2 237.351 0.715 20 0 BCADLP Cc1cc(C)c(CN(C)[C@H]2C[NH2+]C[C@@H]2O)c(C)[nH+]1 ZINC000631827071 372606017 /nfs/dbraw/zinc/60/60/17/372606017.db2.gz DSBGCICSVOXVHH-KBPBESRZSA-N 2 2 249.358 0.771 20 0 BCADLP COC[C@H](C[N@@H+]1C[C@H]([NH3+])C[C@H]1C)OC ZINC000631861898 372663531 /nfs/dbraw/zinc/66/35/31/372663531.db2.gz JSGBVFSJIXACOQ-BBBLOLIVSA-N 2 2 202.298 0.069 20 0 BCADLP COC[C@H](C[N@H+]1C[C@H]([NH3+])C[C@H]1C)OC ZINC000631861898 372663535 /nfs/dbraw/zinc/66/35/35/372663535.db2.gz JSGBVFSJIXACOQ-BBBLOLIVSA-N 2 2 202.298 0.069 20 0 BCADLP Cc1noc(CCC[N@H+]2C[C@@H]([NH3+])C[C@H]2C)n1 ZINC000631862816 372665349 /nfs/dbraw/zinc/66/53/49/372665349.db2.gz UEZBMIRDXSPKRF-SCZZXKLOSA-N 2 2 224.308 0.732 20 0 BCADLP Cc1noc(CCC[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)n1 ZINC000631862816 372665352 /nfs/dbraw/zinc/66/53/52/372665352.db2.gz UEZBMIRDXSPKRF-SCZZXKLOSA-N 2 2 224.308 0.732 20 0 BCADLP CC1(F)CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000631866936 372668148 /nfs/dbraw/zinc/66/81/48/372668148.db2.gz DLCKYRQHSSRGFY-SNVBAGLBSA-N 2 2 216.300 0.799 20 0 BCADLP CN(C(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)C1CC1 ZINC000631867517 372669399 /nfs/dbraw/zinc/66/93/99/372669399.db2.gz WGYKJQRORCRGJT-MFKMUULPSA-N 2 2 237.347 0.339 20 0 BCADLP CCCNC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631885950 372681538 /nfs/dbraw/zinc/68/15/38/372681538.db2.gz FICKSTGYOFAJFU-VXGBXAGGSA-N 2 2 239.363 0.587 20 0 BCADLP CCCNC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631885950 372681547 /nfs/dbraw/zinc/68/15/47/372681547.db2.gz FICKSTGYOFAJFU-VXGBXAGGSA-N 2 2 239.363 0.587 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887672 372681705 /nfs/dbraw/zinc/68/17/05/372681705.db2.gz SWTHLSMTDMBTML-VXGBXAGGSA-N 2 2 239.363 0.585 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887672 372681708 /nfs/dbraw/zinc/68/17/08/372681708.db2.gz SWTHLSMTDMBTML-VXGBXAGGSA-N 2 2 239.363 0.585 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631889395 372684311 /nfs/dbraw/zinc/68/43/11/372684311.db2.gz FJLMTPLNUHYEBT-WDEREUQCSA-N 2 2 225.336 0.149 20 0 BCADLP CN(C)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631889395 372684321 /nfs/dbraw/zinc/68/43/21/372684321.db2.gz FJLMTPLNUHYEBT-WDEREUQCSA-N 2 2 225.336 0.149 20 0 BCADLP Cn1c[nH+]cc1CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890399 372686784 /nfs/dbraw/zinc/68/67/84/372686784.db2.gz RKYMCIPDZYOTPW-YPMHNXCESA-N 2 2 234.347 0.994 20 0 BCADLP O=C(C[NH2+]CC1CC1)N1CC[NH+](C2CC2)CC1 ZINC000037827042 181976001 /nfs/dbraw/zinc/97/60/01/181976001.db2.gz PLXHWULKEPPVBK-UHFFFAOYSA-N 2 2 237.347 0.293 20 0 BCADLP O=C(C[NH2+]CC1CC1)NCCCn1cc[nH+]c1 ZINC000037612155 181977916 /nfs/dbraw/zinc/97/79/16/181977916.db2.gz HXECMUBJLYZWPV-UHFFFAOYSA-N 2 2 236.319 0.389 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000632926457 373223523 /nfs/dbraw/zinc/22/35/23/373223523.db2.gz BQXUTVSWRHMTOA-UWVGGRQHSA-N 2 2 232.287 0.390 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000632927020 373224462 /nfs/dbraw/zinc/22/44/62/373224462.db2.gz ICWGTSGXGBNGKZ-UWVGGRQHSA-N 2 2 234.303 0.765 20 0 BCADLP O=C(NCC1=CC[NH2+]CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000336478828 182135603 /nfs/dbraw/zinc/13/56/03/182135603.db2.gz MQBCQBWUXTZPAE-VIFPVBQESA-N 2 2 245.273 0.020 20 0 BCADLP O=C(NCCCn1cc[nH+]c1)[C@H]1CCC[NH2+]1 ZINC000020363013 182178513 /nfs/dbraw/zinc/17/85/13/182178513.db2.gz PFJJFMVWYRDXNE-SNVBAGLBSA-N 2 2 222.292 0.141 20 0 BCADLP O=C(NCCCn1cc[nH+]c1)[C@@]1(F)CC[NH2+]C1 ZINC000378209631 182178639 /nfs/dbraw/zinc/17/86/39/182178639.db2.gz KNAAKHMQSYOAFM-LLVKDONJSA-N 2 2 240.282 0.091 20 0 BCADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1CCC[NH2+]C1 ZINC000020506388 182179306 /nfs/dbraw/zinc/17/93/06/182179306.db2.gz TXAOLMBOZTZWMA-LLVKDONJSA-N 2 2 236.319 0.389 20 0 BCADLP O=C(NCC[NH+]1CCCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360814810 182185654 /nfs/dbraw/zinc/18/56/54/182185654.db2.gz AIXVRAYKPVLZQM-SECBINFHSA-N 2 2 247.289 0.196 20 0 BCADLP O=C(NC[C@H]1CCC[NH2+]1)c1ccc2[nH+]ccn2c1 ZINC000178741362 182237394 /nfs/dbraw/zinc/23/73/94/182237394.db2.gz CAPVOWDBAUUWAA-LLVKDONJSA-N 2 2 244.298 0.816 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC12CC2 ZINC000424379241 206038098 /nfs/dbraw/zinc/03/80/98/206038098.db2.gz VCZMMTYMEZIZDZ-GMTAPVOTSA-N 2 2 210.321 0.896 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CC12CC2 ZINC000424379247 206039442 /nfs/dbraw/zinc/03/94/42/206039442.db2.gz VCZMMTYMEZIZDZ-VWYCJHECSA-N 2 2 210.321 0.896 20 0 BCADLP COc1ccnc(C[NH2+][C@H]2CCC[NH2+]CC2)n1 ZINC000424379432 206039688 /nfs/dbraw/zinc/03/96/88/206039688.db2.gz OTMJXUGGJQWUGX-JTQLQIEISA-N 2 2 236.319 0.717 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000126974196 170267549 /nfs/dbraw/zinc/26/75/49/170267549.db2.gz DRMIVXCDQFPZAR-GUBZILKMSA-N 2 2 214.309 0.607 20 0 BCADLP OCCOCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000133041870 183083282 /nfs/dbraw/zinc/08/32/82/183083282.db2.gz ZAZZZMKKBKTJSR-UHFFFAOYSA-N 2 2 239.319 0.529 20 0 BCADLP OCCO[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000179248374 183085880 /nfs/dbraw/zinc/08/58/80/183085880.db2.gz FZFBEDZUQPYSOE-LBPRGKRZSA-N 2 2 239.319 0.356 20 0 BCADLP OCCO[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000179248374 183085882 /nfs/dbraw/zinc/08/58/82/183085882.db2.gz FZFBEDZUQPYSOE-LBPRGKRZSA-N 2 2 239.319 0.356 20 0 BCADLP OC[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000049774119 183117510 /nfs/dbraw/zinc/11/75/10/183117510.db2.gz WPGXQXSRCSCIIH-LLVKDONJSA-N 2 2 209.293 0.587 20 0 BCADLP OC[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000049774119 183117513 /nfs/dbraw/zinc/11/75/13/183117513.db2.gz WPGXQXSRCSCIIH-LLVKDONJSA-N 2 2 209.293 0.587 20 0 BCADLP OC[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000050104541 183118945 /nfs/dbraw/zinc/11/89/45/183118945.db2.gz PTCIJKTUSOZLBT-GFCCVEGCSA-N 2 2 223.320 0.978 20 0 BCADLP OC[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000050104541 183118947 /nfs/dbraw/zinc/11/89/47/183118947.db2.gz PTCIJKTUSOZLBT-GFCCVEGCSA-N 2 2 223.320 0.978 20 0 BCADLP CCCC[C@H]([NH3+])C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000037619570 169006912 /nfs/dbraw/zinc/00/69/12/169006912.db2.gz KDSUMGRRHJXUEQ-QWRGUYRKSA-N 2 2 238.335 0.905 20 0 BCADLP CCCC[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000041051053 169008307 /nfs/dbraw/zinc/00/83/07/169008307.db2.gz VJLSANSKAFADJP-JTQLQIEISA-N 2 2 224.308 0.517 20 0 BCADLP OC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)[C@@H]1CCCO1 ZINC000308952296 183110110 /nfs/dbraw/zinc/11/01/10/183110110.db2.gz VRRPFOIMYKVAOD-ZJUUUORDSA-N 2 2 211.265 0.039 20 0 BCADLP OC[C@@]1(F)CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000287034148 183133425 /nfs/dbraw/zinc/13/34/25/183133425.db2.gz SNULAWHWVDEEFU-LLVKDONJSA-N 2 2 227.283 0.680 20 0 BCADLP OC[C@@]1(F)CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000287034148 183133427 /nfs/dbraw/zinc/13/34/27/183133427.db2.gz SNULAWHWVDEEFU-LLVKDONJSA-N 2 2 227.283 0.680 20 0 BCADLP OC[C@H]([NH2+]Cc1c[nH+]c[nH]1)[C@@H]1CCCO1 ZINC000308952291 183141836 /nfs/dbraw/zinc/14/18/36/183141836.db2.gz VRRPFOIMYKVAOD-UWVGGRQHSA-N 2 2 211.265 0.039 20 0 BCADLP OC[C@]1([NH2+]Cc2cccc3[nH+]ccn32)CCOC1 ZINC000184193716 183158776 /nfs/dbraw/zinc/15/87/76/183158776.db2.gz QXSKHDQBEVGYLP-CYBMUJFWSA-N 2 2 247.298 0.575 20 0 BCADLP O[C@@H](C[NH2+]Cc1ccncc1)C[NH+]1CCCC1 ZINC000037859689 183180894 /nfs/dbraw/zinc/18/08/94/183180894.db2.gz SWIVCDYKCRANKG-ZDUSSCGKSA-N 2 2 235.331 0.628 20 0 BCADLP O[C@@]1(C(F)(F)F)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000270948460 183215200 /nfs/dbraw/zinc/21/52/00/183215200.db2.gz ZXVARDHPQGOHGG-VIFPVBQESA-N 2 2 249.236 0.882 20 0 BCADLP O[C@@]1(C(F)(F)F)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000270948460 183215204 /nfs/dbraw/zinc/21/52/04/183215204.db2.gz ZXVARDHPQGOHGG-VIFPVBQESA-N 2 2 249.236 0.882 20 0 BCADLP CCC[NH+]1CCC([N@H+](C)CC(N)=O)CC1 ZINC000109786204 169187483 /nfs/dbraw/zinc/18/74/83/169187483.db2.gz DUEMHPXUPJPIHH-UHFFFAOYSA-N 2 2 213.325 0.278 20 0 BCADLP CCC[NH+]1CCC([N@@H+](C)CC(N)=O)CC1 ZINC000109786204 169187485 /nfs/dbraw/zinc/18/74/85/169187485.db2.gz DUEMHPXUPJPIHH-UHFFFAOYSA-N 2 2 213.325 0.278 20 0 BCADLP c1c[nH+]c(C2CC[NH+](CCn3cncn3)CC2)[nH]1 ZINC000331605162 183323085 /nfs/dbraw/zinc/32/30/85/183323085.db2.gz BLLBAPNFXLVAEA-UHFFFAOYSA-N 2 2 246.318 0.881 20 0 BCADLP c1c[nH+]c(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)[nH]1 ZINC000113616623 183324668 /nfs/dbraw/zinc/32/46/68/183324668.db2.gz SBGUXGWNYLGXLL-MNOVXSKESA-N 2 2 236.319 0.363 20 0 BCADLP c1c[nH+]c(CNC[C@H]2C[N@H+]3CCC[C@@H]3CO2)[nH]1 ZINC000113616623 183324669 /nfs/dbraw/zinc/32/46/69/183324669.db2.gz SBGUXGWNYLGXLL-MNOVXSKESA-N 2 2 236.319 0.363 20 0 BCADLP c1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)n[nH]1 ZINC000037485289 183350533 /nfs/dbraw/zinc/35/05/33/183350533.db2.gz DHNGBVFZDNVBOJ-JTQLQIEISA-N 2 2 220.320 0.984 20 0 BCADLP c1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)n[nH]1 ZINC000037485289 183350536 /nfs/dbraw/zinc/35/05/36/183350536.db2.gz DHNGBVFZDNVBOJ-JTQLQIEISA-N 2 2 220.320 0.984 20 0 BCADLP c1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)n[nH]1 ZINC000037485290 183351852 /nfs/dbraw/zinc/35/18/52/183351852.db2.gz DHNGBVFZDNVBOJ-SNVBAGLBSA-N 2 2 220.320 0.984 20 0 BCADLP c1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)n[nH]1 ZINC000037485290 183351855 /nfs/dbraw/zinc/35/18/55/183351855.db2.gz DHNGBVFZDNVBOJ-SNVBAGLBSA-N 2 2 220.320 0.984 20 0 BCADLP c1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)n[nH]1 ZINC000335607503 183353343 /nfs/dbraw/zinc/35/33/43/183353343.db2.gz WJDHQVNQUGLYDG-QMMMGPOBSA-N 2 2 217.276 0.780 20 0 BCADLP CCCNC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842575 169219599 /nfs/dbraw/zinc/21/95/99/169219599.db2.gz RCLLMUHUOWXEAW-GFCCVEGCSA-N 2 2 241.379 0.786 20 0 BCADLP CCCNC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842575 169219600 /nfs/dbraw/zinc/21/96/00/169219600.db2.gz RCLLMUHUOWXEAW-GFCCVEGCSA-N 2 2 241.379 0.786 20 0 BCADLP CCCNC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842575 169219602 /nfs/dbraw/zinc/21/96/02/169219602.db2.gz RCLLMUHUOWXEAW-GFCCVEGCSA-N 2 2 241.379 0.786 20 0 BCADLP CCCNC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842575 169219604 /nfs/dbraw/zinc/21/96/04/169219604.db2.gz RCLLMUHUOWXEAW-GFCCVEGCSA-N 2 2 241.379 0.786 20 0 BCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000226677513 169241304 /nfs/dbraw/zinc/24/13/04/169241304.db2.gz UXOVAVHCTSGQMG-NEPJUHHUSA-N 2 2 241.379 0.833 20 0 BCADLP CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000226677513 169241305 /nfs/dbraw/zinc/24/13/05/169241305.db2.gz UXOVAVHCTSGQMG-NEPJUHHUSA-N 2 2 241.379 0.833 20 0 BCADLP CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040601430 169246922 /nfs/dbraw/zinc/24/69/22/169246922.db2.gz UXOVAVHCTSGQMG-NWDGAFQWSA-N 2 2 241.379 0.833 20 0 BCADLP CCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040601430 169246923 /nfs/dbraw/zinc/24/69/23/169246923.db2.gz UXOVAVHCTSGQMG-NWDGAFQWSA-N 2 2 241.379 0.833 20 0 BCADLP C[C@@H]([NH2+]CC[NH+](C)C)C1CCOCC1 ZINC000223848873 134343108 /nfs/dbraw/zinc/34/31/08/134343108.db2.gz PWAUORWGKDDYHK-SNVBAGLBSA-N 2 2 200.326 0.953 20 0 BCADLP COC[C@H](CCO)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000223968941 134343408 /nfs/dbraw/zinc/34/34/08/134343408.db2.gz GSNHCJQMVRARRD-WOPDTQHZSA-N 2 2 242.363 0.599 20 0 BCADLP C[C@H](O)CCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000227568854 134383295 /nfs/dbraw/zinc/38/32/95/134383295.db2.gz UJPLMCIMOOMRJY-JTQLQIEISA-N 2 2 240.351 0.737 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCCc1c[nH+]cn1C ZINC000315044131 383924706 /nfs/dbraw/zinc/92/47/06/383924706.db2.gz XWFREJXTRLVAHX-WDEREUQCSA-N 3 2 222.336 0.774 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCCc1c[nH+]cn1C ZINC000315044131 383924715 /nfs/dbraw/zinc/92/47/15/383924715.db2.gz XWFREJXTRLVAHX-WDEREUQCSA-N 3 2 222.336 0.774 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000518565758 384016699 /nfs/dbraw/zinc/01/66/99/384016699.db2.gz LKYRUSRGHCMGDA-NEPJUHHUSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cccnc1 ZINC000068801959 384016667 /nfs/dbraw/zinc/01/66/67/384016667.db2.gz ZOFRQXZPASPMLO-GXTWGEPZSA-N 2 2 248.374 0.978 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cccnc1 ZINC000068801959 384016674 /nfs/dbraw/zinc/01/66/74/384016674.db2.gz ZOFRQXZPASPMLO-GXTWGEPZSA-N 2 2 248.374 0.978 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ncc[nH]1 ZINC000049715436 384023309 /nfs/dbraw/zinc/02/33/09/384023309.db2.gz WPECFOUNLBLBLO-SECBINFHSA-N 2 2 205.265 0.785 20 0 BCADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]CCO2)C1 ZINC000643544437 384004365 /nfs/dbraw/zinc/00/43/65/384004365.db2.gz KKXNMQJYGIVHNS-QJPTWQEYSA-N 2 2 228.336 0.522 20 0 BCADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)C1 ZINC000643544438 384006513 /nfs/dbraw/zinc/00/65/13/384006513.db2.gz KKXNMQJYGIVHNS-TUAOUCFPSA-N 2 2 228.336 0.522 20 0 BCADLP CN1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1=O ZINC000309570995 384030354 /nfs/dbraw/zinc/03/03/54/384030354.db2.gz NQEKNEAZGLYJPM-LLVKDONJSA-N 2 2 225.336 0.291 20 0 BCADLP C([NH2+]CC1CC1)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647156706 384041541 /nfs/dbraw/zinc/04/15/41/384041541.db2.gz NCCOOMOQYGAYNC-VIFPVBQESA-N 2 2 222.292 0.994 20 0 BCADLP Cc1cnn(C)c1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000336547429 384104003 /nfs/dbraw/zinc/10/40/03/384104003.db2.gz HGDIFNJPURTMLR-TXEJJXNPSA-N 2 2 234.347 0.722 20 0 BCADLP Cc1cnn(C)c1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000336547429 384104011 /nfs/dbraw/zinc/10/40/11/384104011.db2.gz HGDIFNJPURTMLR-TXEJJXNPSA-N 2 2 234.347 0.722 20 0 BCADLP Cc1cnn(C)c1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000336547429 384104020 /nfs/dbraw/zinc/10/40/20/384104020.db2.gz HGDIFNJPURTMLR-TXEJJXNPSA-N 2 2 234.347 0.722 20 0 BCADLP Cc1cnn(C)c1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000336547429 384104027 /nfs/dbraw/zinc/10/40/27/384104027.db2.gz HGDIFNJPURTMLR-TXEJJXNPSA-N 2 2 234.347 0.722 20 0 BCADLP CC[N@H+](CCn1cc[nH+]c1)CC(=O)OC ZINC000050066240 384105603 /nfs/dbraw/zinc/10/56/03/384105603.db2.gz DFBCRNARKKOLGK-UHFFFAOYSA-N 2 2 211.265 0.378 20 0 BCADLP CC[N@@H+](CCn1cc[nH+]c1)CC(=O)OC ZINC000050066240 384105611 /nfs/dbraw/zinc/10/56/11/384105611.db2.gz DFBCRNARKKOLGK-UHFFFAOYSA-N 2 2 211.265 0.378 20 0 BCADLP COC[C@](C)(O)CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000449386141 384136183 /nfs/dbraw/zinc/13/61/83/384136183.db2.gz SPRLXDRJJPUMCM-IJLUTSLNSA-N 2 2 230.352 0.314 20 0 BCADLP COC[C@](C)(O)CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000449386141 384136187 /nfs/dbraw/zinc/13/61/87/384136187.db2.gz SPRLXDRJJPUMCM-IJLUTSLNSA-N 2 2 230.352 0.314 20 0 BCADLP COC[C@](C)(O)CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000449386140 384136238 /nfs/dbraw/zinc/13/62/38/384136238.db2.gz SPRLXDRJJPUMCM-GRYCIOLGSA-N 2 2 230.352 0.314 20 0 BCADLP COC[C@](C)(O)CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000449386140 384136241 /nfs/dbraw/zinc/13/62/41/384136241.db2.gz SPRLXDRJJPUMCM-GRYCIOLGSA-N 2 2 230.352 0.314 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000071276075 384158276 /nfs/dbraw/zinc/15/82/76/384158276.db2.gz WVRFFHWMFSHJBO-VHSXEESVSA-N 2 2 236.319 0.554 20 0 BCADLP COC1CC([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000449387626 384140496 /nfs/dbraw/zinc/14/04/96/384140496.db2.gz MGNDOGGFHHQNDY-OTTFEQOBSA-N 2 2 242.363 0.600 20 0 BCADLP COC1CC([NH2+]C[C@H]2CCC[N@H+]2CCCO)C1 ZINC000449387626 384140504 /nfs/dbraw/zinc/14/05/04/384140504.db2.gz MGNDOGGFHHQNDY-OTTFEQOBSA-N 2 2 242.363 0.600 20 0 BCADLP COCC[C@@H](C)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449397391 384174615 /nfs/dbraw/zinc/17/46/15/384174615.db2.gz PZWSMQVWLQVYJP-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP COCC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449397391 384174618 /nfs/dbraw/zinc/17/46/18/384174618.db2.gz PZWSMQVWLQVYJP-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000071276073 384158749 /nfs/dbraw/zinc/15/87/49/384158749.db2.gz WVRFFHWMFSHJBO-NXEZZACHSA-N 2 2 236.319 0.554 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)CCCCCC[NH3+] ZINC000071276125 384159656 /nfs/dbraw/zinc/15/96/56/384159656.db2.gz OBMYWFBEGKASLP-UHFFFAOYSA-N 2 2 238.335 0.946 20 0 BCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C1C[NH2+]C1)CCC2 ZINC000363667054 384163071 /nfs/dbraw/zinc/16/30/71/384163071.db2.gz WCNRGEKAIKRVHV-JTQLQIEISA-N 2 2 248.330 0.405 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]Cc2cc[nH]n2)CC[N@@H+]1C ZINC000090720730 384170194 /nfs/dbraw/zinc/17/01/94/384170194.db2.gz AXSYBELEZURMFE-UWVGGRQHSA-N 2 2 208.309 0.982 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]Cc2cc[nH]n2)CC[N@H+]1C ZINC000090720730 384170199 /nfs/dbraw/zinc/17/01/99/384170199.db2.gz AXSYBELEZURMFE-UWVGGRQHSA-N 2 2 208.309 0.982 20 0 BCADLP Cn1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])nn1 ZINC000236103369 384181294 /nfs/dbraw/zinc/18/12/94/384181294.db2.gz RCHQJHFZXJDFHF-LLVKDONJSA-N 2 2 223.324 0.518 20 0 BCADLP Cn1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])nn1 ZINC000236103369 384181297 /nfs/dbraw/zinc/18/12/97/384181297.db2.gz RCHQJHFZXJDFHF-LLVKDONJSA-N 2 2 223.324 0.518 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336599574 384206859 /nfs/dbraw/zinc/20/68/59/384206859.db2.gz PJVJKXVOIMNZFO-WCQYABFASA-N 2 2 239.363 0.491 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336599574 384206862 /nfs/dbraw/zinc/20/68/62/384206862.db2.gz PJVJKXVOIMNZFO-WCQYABFASA-N 2 2 239.363 0.491 20 0 BCADLP C[C@@H](C(=O)N(C)C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336599574 384206865 /nfs/dbraw/zinc/20/68/65/384206865.db2.gz PJVJKXVOIMNZFO-WCQYABFASA-N 2 2 239.363 0.491 20 0 BCADLP C[C@@H](C(=O)N(C)C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336599574 384206868 /nfs/dbraw/zinc/20/68/68/384206868.db2.gz PJVJKXVOIMNZFO-WCQYABFASA-N 2 2 239.363 0.491 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@H]1CC[NH2+]C1 ZINC000082523260 384233661 /nfs/dbraw/zinc/23/36/61/384233661.db2.gz PZYWWNXKPWAFSZ-VIFPVBQESA-N 2 2 205.261 0.938 20 0 BCADLP CC(C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000158259861 384214623 /nfs/dbraw/zinc/21/46/23/384214623.db2.gz YENGLMRLDIUAOG-WOPDTQHZSA-N 2 2 241.379 0.972 20 0 BCADLP CC(C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158259861 384214632 /nfs/dbraw/zinc/21/46/32/384214632.db2.gz YENGLMRLDIUAOG-WOPDTQHZSA-N 2 2 241.379 0.972 20 0 BCADLP CC[C@](C)(C[NH2+]C[C@@H]1C[N@H+](C)CCN1C)OC ZINC000319536955 384252400 /nfs/dbraw/zinc/25/24/00/384252400.db2.gz BVLYMUHRFCJFOA-CHWSQXEVSA-N 2 2 243.395 0.637 20 0 BCADLP CC[C@](C)(C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C)OC ZINC000319536955 384252406 /nfs/dbraw/zinc/25/24/06/384252406.db2.gz BVLYMUHRFCJFOA-CHWSQXEVSA-N 2 2 243.395 0.637 20 0 BCADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cnn(C)c1 ZINC000044500284 384337968 /nfs/dbraw/zinc/33/79/68/384337968.db2.gz CFCSFOMMVGCXJI-JTQLQIEISA-N 2 2 219.292 0.967 20 0 BCADLP C[N@@H+](Cc1cnccn1)C[C@@H]1CCC[NH2+]C1 ZINC000095071160 384339517 /nfs/dbraw/zinc/33/95/17/384339517.db2.gz RKSOPPUJKKKANY-LLVKDONJSA-N 2 2 220.320 0.908 20 0 BCADLP C[N@H+](Cc1cnccn1)C[C@@H]1CCC[NH2+]C1 ZINC000095071160 384339519 /nfs/dbraw/zinc/33/95/19/384339519.db2.gz RKSOPPUJKKKANY-LLVKDONJSA-N 2 2 220.320 0.908 20 0 BCADLP [NH3+]C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC000044541515 384344291 /nfs/dbraw/zinc/34/42/91/384344291.db2.gz IPSZQYSCGOWYEV-NSHDSACASA-N 2 2 236.319 0.613 20 0 BCADLP [NH3+]C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC000044541514 384345123 /nfs/dbraw/zinc/34/51/23/384345123.db2.gz IPSZQYSCGOWYEV-LLVKDONJSA-N 2 2 236.319 0.613 20 0 BCADLP COC(=O)[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000095020421 384326236 /nfs/dbraw/zinc/32/62/36/384326236.db2.gz WYRDJKVCMYWRFS-NSHDSACASA-N 2 2 237.303 0.768 20 0 BCADLP COC(=O)[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000095020421 384326244 /nfs/dbraw/zinc/32/62/44/384326244.db2.gz WYRDJKVCMYWRFS-NSHDSACASA-N 2 2 237.303 0.768 20 0 BCADLP C[N@H+](CC(=O)N1CCCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000647513665 384422886 /nfs/dbraw/zinc/42/28/86/384422886.db2.gz WILWEDSAURTQJW-ZDUSSCGKSA-N 2 2 239.363 0.540 20 0 BCADLP C[N@@H+](CC(=O)N1CCCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000647513665 384422893 /nfs/dbraw/zinc/42/28/93/384422893.db2.gz WILWEDSAURTQJW-ZDUSSCGKSA-N 2 2 239.363 0.540 20 0 BCADLP CC[NH2+]CC1CC[NH+](Cc2nnnn2C)CC1 ZINC000517567198 384425644 /nfs/dbraw/zinc/42/56/44/384425644.db2.gz BATLICRFDDYVTR-UHFFFAOYSA-N 2 2 238.339 0.032 20 0 BCADLP C[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000261579643 384388348 /nfs/dbraw/zinc/38/83/48/384388348.db2.gz MLMOBGZIVDYXRY-MRVPVSSYSA-N 2 2 222.292 0.111 20 0 BCADLP CC[N@H+](CC(=O)N(C)C)C[C@]1(C)CC[NH2+]C1 ZINC000647513935 384428437 /nfs/dbraw/zinc/42/84/37/384428437.db2.gz VGUZIHLOYVXYSL-GFCCVEGCSA-N 2 2 227.352 0.396 20 0 BCADLP CC[N@@H+](CC(=O)N(C)C)C[C@]1(C)CC[NH2+]C1 ZINC000647513935 384428447 /nfs/dbraw/zinc/42/84/47/384428447.db2.gz VGUZIHLOYVXYSL-GFCCVEGCSA-N 2 2 227.352 0.396 20 0 BCADLP C[N@H+](Cc1cccc(C(N)=O)c1)CC(C)(C)[NH3+] ZINC000647514117 384429890 /nfs/dbraw/zinc/42/98/90/384429890.db2.gz MOTDCPJLLFJOLY-UHFFFAOYSA-N 2 2 235.331 0.955 20 0 BCADLP C[N@@H+](Cc1cccc(C(N)=O)c1)CC(C)(C)[NH3+] ZINC000647514117 384429895 /nfs/dbraw/zinc/42/98/95/384429895.db2.gz MOTDCPJLLFJOLY-UHFFFAOYSA-N 2 2 235.331 0.955 20 0 BCADLP C[C@@H]1CN(Cc2c[nH+]cn2C)[C@H](C)C[NH2+]1 ZINC000085170908 384509311 /nfs/dbraw/zinc/50/93/11/384509311.db2.gz OKUDEZOGTGJWIE-NXEZZACHSA-N 2 2 208.309 0.602 20 0 BCADLP C[C@H](CN[C@@H]1CCn2cc[nH+]c21)[NH+](C)C ZINC000294096171 384522741 /nfs/dbraw/zinc/52/27/41/384522741.db2.gz MJTIBMMIFWVYFD-NXEZZACHSA-N 2 2 208.309 0.868 20 0 BCADLP C[C@@H](CN[C@@H]1CCn2cc[nH+]c21)[NH+](C)C ZINC000294096176 384523563 /nfs/dbraw/zinc/52/35/63/384523563.db2.gz MJTIBMMIFWVYFD-VHSXEESVSA-N 2 2 208.309 0.868 20 0 BCADLP Cn1c[nH+]cc1CC(=O)NCC[N@H+](C)C1CC1 ZINC000569605094 384524217 /nfs/dbraw/zinc/52/42/17/384524217.db2.gz DCVWULIIXYSZDC-UHFFFAOYSA-N 2 2 236.319 0.173 20 0 BCADLP C[N@H+](C[C@@H]1CCS(=O)(=O)C1)CC(C)(C)C[NH3+] ZINC000569605612 384525833 /nfs/dbraw/zinc/52/58/33/384525833.db2.gz PPZMOVOKDVLSKZ-JTQLQIEISA-N 2 2 248.392 0.338 20 0 BCADLP C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)CC(C)(C)C[NH3+] ZINC000569605612 384525834 /nfs/dbraw/zinc/52/58/34/384525834.db2.gz PPZMOVOKDVLSKZ-JTQLQIEISA-N 2 2 248.392 0.338 20 0 BCADLP C[C@]1(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]C1 ZINC000085542331 384529616 /nfs/dbraw/zinc/52/96/16/384529616.db2.gz NDLVENFIAGDJNS-TUAOUCFPSA-N 2 2 210.321 0.849 20 0 BCADLP C[C@]1(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]C1 ZINC000085542331 384529621 /nfs/dbraw/zinc/52/96/21/384529621.db2.gz NDLVENFIAGDJNS-TUAOUCFPSA-N 2 2 210.321 0.849 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249916164 384530146 /nfs/dbraw/zinc/53/01/46/384530146.db2.gz XLCALYBHJHNVCN-MNOVXSKESA-N 2 2 248.330 0.689 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249916164 384530152 /nfs/dbraw/zinc/53/01/52/384530152.db2.gz XLCALYBHJHNVCN-MNOVXSKESA-N 2 2 248.330 0.689 20 0 BCADLP O=C1[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CCN1C1CC1 ZINC000428033331 384560797 /nfs/dbraw/zinc/56/07/97/384560797.db2.gz QTAJGOVRVVCXQC-WCFLWFBJSA-N 2 2 249.358 0.434 20 0 BCADLP O=C1[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CCN1C1CC1 ZINC000428033331 384560802 /nfs/dbraw/zinc/56/08/02/384560802.db2.gz QTAJGOVRVVCXQC-WCFLWFBJSA-N 2 2 249.358 0.434 20 0 BCADLP Cc1nnc(CC[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)s1 ZINC000309789843 384604861 /nfs/dbraw/zinc/60/48/61/384604861.db2.gz OYICCEALGKEFDK-WCBMZHEXSA-N 2 2 240.376 0.929 20 0 BCADLP Cc1nnc(CC[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)s1 ZINC000309789843 384604868 /nfs/dbraw/zinc/60/48/68/384604868.db2.gz OYICCEALGKEFDK-WCBMZHEXSA-N 2 2 240.376 0.929 20 0 BCADLP Cc1nnc(CC[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)s1 ZINC000309789842 384604981 /nfs/dbraw/zinc/60/49/81/384604981.db2.gz OYICCEALGKEFDK-SCZZXKLOSA-N 2 2 240.376 0.929 20 0 BCADLP Cc1nnc(CC[NH2+][C@H]2C[N@H+](C)C[C@H]2C)s1 ZINC000309789842 384604989 /nfs/dbraw/zinc/60/49/89/384604989.db2.gz OYICCEALGKEFDK-SCZZXKLOSA-N 2 2 240.376 0.929 20 0 BCADLP c1nc(N[C@@H]2CC[NH2+]C2)cc(N2CCCC2)[nH+]1 ZINC000258565266 384609384 /nfs/dbraw/zinc/60/93/84/384609384.db2.gz CESYPDVPGIIBMB-SNVBAGLBSA-N 2 2 233.319 0.851 20 0 BCADLP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2nnc3n2CCCC3)C1 ZINC000568247997 384615723 /nfs/dbraw/zinc/61/57/23/384615723.db2.gz DBURGOYMEGCUSA-QWRGUYRKSA-N 2 2 249.362 0.974 20 0 BCADLP CN(C)c1ncc(C[NH+]2CCC(C)([NH3+])CC2)cn1 ZINC000647531434 384620365 /nfs/dbraw/zinc/62/03/65/384620365.db2.gz WNOFHWZUPSGJER-UHFFFAOYSA-N 2 2 249.362 0.856 20 0 BCADLP COC[C@H](O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000050120767 384594083 /nfs/dbraw/zinc/59/40/83/384594083.db2.gz ZZIIGXWJKNSMAX-LLVKDONJSA-N 2 2 227.308 0.212 20 0 BCADLP COC[C@H](O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000050120767 384594086 /nfs/dbraw/zinc/59/40/86/384594086.db2.gz ZZIIGXWJKNSMAX-LLVKDONJSA-N 2 2 227.308 0.212 20 0 BCADLP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cnn(C)c1 ZINC000154248096 384598023 /nfs/dbraw/zinc/59/80/23/384598023.db2.gz SATAKMOHDQYRBV-VXGBXAGGSA-N 2 2 240.351 0.383 20 0 BCADLP O=C(C1C[NH2+]C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000363668188 384666512 /nfs/dbraw/zinc/66/65/12/384666512.db2.gz CGNMVARVVOJHGN-NSHDSACASA-N 2 2 234.303 0.094 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NC1CC1 ZINC000124353123 384635612 /nfs/dbraw/zinc/63/56/12/384635612.db2.gz SGLVXGANPUZSCN-UHFFFAOYSA-N 2 2 236.319 0.484 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NC1CC1 ZINC000124353123 384635620 /nfs/dbraw/zinc/63/56/20/384635620.db2.gz SGLVXGANPUZSCN-UHFFFAOYSA-N 2 2 236.319 0.484 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246970426 384645293 /nfs/dbraw/zinc/64/52/93/384645293.db2.gz CLUIEMGUIOHGCJ-MXWKQRLJSA-N 2 2 236.319 0.640 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246970426 384645300 /nfs/dbraw/zinc/64/53/00/384645300.db2.gz CLUIEMGUIOHGCJ-MXWKQRLJSA-N 2 2 236.319 0.640 20 0 BCADLP Cc1[nH]c(C(=O)NCCCC[NH+](C)C)c[nH+]1 ZINC000082268175 384656201 /nfs/dbraw/zinc/65/62/01/384656201.db2.gz PSALGBWIRWYRAX-UHFFFAOYSA-N 2 2 224.308 0.790 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647231417 384658518 /nfs/dbraw/zinc/65/85/18/384658518.db2.gz XXCSVRGBVRXZAC-MNOVXSKESA-N 2 2 237.351 0.287 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647231417 384658525 /nfs/dbraw/zinc/65/85/25/384658525.db2.gz XXCSVRGBVRXZAC-MNOVXSKESA-N 2 2 237.351 0.287 20 0 BCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccco1 ZINC000125910896 384719834 /nfs/dbraw/zinc/71/98/34/384719834.db2.gz CMSOAFHMMWTEIZ-LLVKDONJSA-N 2 2 212.293 0.682 20 0 BCADLP CC[C@@H]([NH2+]CC[NH+](C)C)[C@@H]1CCOC1 ZINC000308509768 384775408 /nfs/dbraw/zinc/77/54/08/384775408.db2.gz BLXSDKJLDMGYTG-GHMZBOCLSA-N 2 2 200.326 0.953 20 0 BCADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647546817 384732968 /nfs/dbraw/zinc/73/29/68/384732968.db2.gz CQCLIEKUQGEONU-QCNOEVLYSA-N 3 2 211.353 0.572 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC000647546574 384733068 /nfs/dbraw/zinc/73/30/68/384733068.db2.gz PYRSJFSICPXPJC-QJPTWQEYSA-N 3 2 211.353 0.574 20 0 BCADLP C[C@@H]([NH2+][C@H]1C[NH2+]C[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000647546726 384733797 /nfs/dbraw/zinc/73/37/97/384733797.db2.gz YBECZBSTBQTWPA-QNWHQSFQSA-N 3 2 225.380 0.962 20 0 BCADLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647546815 384734447 /nfs/dbraw/zinc/73/44/47/384734447.db2.gz CQCLIEKUQGEONU-IRCOFANPSA-N 3 2 211.353 0.572 20 0 BCADLP Cc1ccoc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000125899946 384756425 /nfs/dbraw/zinc/75/64/25/384756425.db2.gz DGJIXTFQSFVUEV-LBPRGKRZSA-N 2 2 226.320 0.990 20 0 BCADLP C[N@H+](CCn1cccn1)[C@@H](C[NH3+])C1CC1 ZINC000126707853 384797308 /nfs/dbraw/zinc/79/73/08/384797308.db2.gz OSNQKEIRSBKAEF-NSHDSACASA-N 2 2 208.309 0.552 20 0 BCADLP C[N@@H+](CCn1cccn1)[C@@H](C[NH3+])C1CC1 ZINC000126707853 384797310 /nfs/dbraw/zinc/79/73/10/384797310.db2.gz OSNQKEIRSBKAEF-NSHDSACASA-N 2 2 208.309 0.552 20 0 BCADLP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C[C@H](C)OC ZINC000361557466 384812056 /nfs/dbraw/zinc/81/20/56/384812056.db2.gz AIFSCRIMCZQBAB-AAEUAGOBSA-N 2 2 244.379 0.798 20 0 BCADLP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C[C@H](C)OC ZINC000361557466 384812063 /nfs/dbraw/zinc/81/20/63/384812063.db2.gz AIFSCRIMCZQBAB-AAEUAGOBSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C[C@H](C)OC ZINC000361557466 384812067 /nfs/dbraw/zinc/81/20/67/384812067.db2.gz AIFSCRIMCZQBAB-AAEUAGOBSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C[C@H](C)OC ZINC000361557466 384812072 /nfs/dbraw/zinc/81/20/72/384812072.db2.gz AIFSCRIMCZQBAB-AAEUAGOBSA-N 2 2 244.379 0.798 20 0 BCADLP C[C@H](O)CCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000308628757 384878545 /nfs/dbraw/zinc/87/85/45/384878545.db2.gz YBPQMHFUVCMBIV-VWYCJHECSA-N 2 2 200.326 0.687 20 0 BCADLP C[C@H](O)CCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000308628757 384878550 /nfs/dbraw/zinc/87/85/50/384878550.db2.gz YBPQMHFUVCMBIV-VWYCJHECSA-N 2 2 200.326 0.687 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)CC1(CO)CC1 ZINC000186772588 384880191 /nfs/dbraw/zinc/88/01/91/384880191.db2.gz MMMKKSXGEWOBLU-UHFFFAOYSA-N 2 2 223.320 0.978 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)CC1(CO)CC1 ZINC000186772588 384880199 /nfs/dbraw/zinc/88/01/99/384880199.db2.gz MMMKKSXGEWOBLU-UHFFFAOYSA-N 2 2 223.320 0.978 20 0 BCADLP CCC[C@H](O)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000308630910 384880376 /nfs/dbraw/zinc/88/03/76/384880376.db2.gz YVVRQMKAFIHPPU-OUAUKWLOSA-N 2 2 200.326 0.687 20 0 BCADLP CCC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000308630910 384880379 /nfs/dbraw/zinc/88/03/79/384880379.db2.gz YVVRQMKAFIHPPU-OUAUKWLOSA-N 2 2 200.326 0.687 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000308632743 384883451 /nfs/dbraw/zinc/88/34/51/384883451.db2.gz ZRXJNVNRCQVMJG-MMWGEVLESA-N 2 2 200.326 0.950 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000308632743 384883462 /nfs/dbraw/zinc/88/34/62/384883462.db2.gz ZRXJNVNRCQVMJG-MMWGEVLESA-N 2 2 200.326 0.950 20 0 BCADLP C[NH+](C)CC(C)(C)[NH2+]CCN1CCOCC1 ZINC000308633866 384883485 /nfs/dbraw/zinc/88/34/85/384883485.db2.gz WLXLACRVBDJRIZ-UHFFFAOYSA-N 2 2 229.368 0.248 20 0 BCADLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423379337 384847928 /nfs/dbraw/zinc/84/79/28/384847928.db2.gz XEXITHFQPPIKLN-USZNOCQGSA-N 3 2 211.353 0.986 20 0 BCADLP CCNC(=O)C[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316252466 384868538 /nfs/dbraw/zinc/86/85/38/384868538.db2.gz PCDMYGCHEVXUIV-DCAQKATOSA-N 2 2 227.352 0.570 20 0 BCADLP CCNC(=O)C[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316252466 384868545 /nfs/dbraw/zinc/86/85/45/384868545.db2.gz PCDMYGCHEVXUIV-DCAQKATOSA-N 2 2 227.352 0.570 20 0 BCADLP CCCCOC[C@@H](O)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000644547776 384950017 /nfs/dbraw/zinc/95/00/17/384950017.db2.gz RHIPHIUQRLUAKR-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP CCCCOC[C@@H](O)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000644547776 384950024 /nfs/dbraw/zinc/95/00/24/384950024.db2.gz RHIPHIUQRLUAKR-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](C)O ZINC000644546799 384957810 /nfs/dbraw/zinc/95/78/10/384957810.db2.gz TWWTWRNJHDQNQQ-GHMZBOCLSA-N 2 2 216.325 0.068 20 0 BCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](C)O ZINC000644546799 384957816 /nfs/dbraw/zinc/95/78/16/384957816.db2.gz TWWTWRNJHDQNQQ-GHMZBOCLSA-N 2 2 216.325 0.068 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)CO1 ZINC000647203517 384924646 /nfs/dbraw/zinc/92/46/46/384924646.db2.gz IIHDJSQQNYTGKO-OUAUKWLOSA-N 2 2 221.304 0.965 20 0 BCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC000258818587 384939237 /nfs/dbraw/zinc/93/92/37/384939237.db2.gz CEFDCDQDTMZKOZ-CYBMUJFWSA-N 2 2 237.322 0.819 20 0 BCADLP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H]1CCOC1 ZINC000310280995 384939323 /nfs/dbraw/zinc/93/93/23/384939323.db2.gz POHDBYPEHLQMCF-STQMWFEESA-N 2 2 242.363 0.552 20 0 BCADLP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H]1CCOC1 ZINC000310280995 384939327 /nfs/dbraw/zinc/93/93/27/384939327.db2.gz POHDBYPEHLQMCF-STQMWFEESA-N 2 2 242.363 0.552 20 0 BCADLP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CCOC1 ZINC000310280995 384939333 /nfs/dbraw/zinc/93/93/33/384939333.db2.gz POHDBYPEHLQMCF-STQMWFEESA-N 2 2 242.363 0.552 20 0 BCADLP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CCOC1 ZINC000310280995 384939339 /nfs/dbraw/zinc/93/93/39/384939339.db2.gz POHDBYPEHLQMCF-STQMWFEESA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H](CS(C)(=O)=O)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000081900424 384944959 /nfs/dbraw/zinc/94/49/59/384944959.db2.gz QOHDJQZERTWBHR-VHSXEESVSA-N 2 2 245.348 0.294 20 0 BCADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)COC ZINC000644569318 384967562 /nfs/dbraw/zinc/96/75/62/384967562.db2.gz HJMXIQYMCJSONZ-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1CCC[NH2+]C1 ZINC000226435048 385021896 /nfs/dbraw/zinc/02/18/96/385021896.db2.gz SZFQWYIGRTVYLJ-NSHDSACASA-N 2 2 241.379 0.833 20 0 BCADLP C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1CCC[NH2+]C1 ZINC000226435048 385021902 /nfs/dbraw/zinc/02/19/02/385021902.db2.gz SZFQWYIGRTVYLJ-NSHDSACASA-N 2 2 241.379 0.833 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000129356808 384996795 /nfs/dbraw/zinc/99/67/95/384996795.db2.gz WUCOXAJZVHRETG-BDAKNGLRSA-N 2 2 211.309 0.077 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000129356808 384996803 /nfs/dbraw/zinc/99/68/03/384996803.db2.gz WUCOXAJZVHRETG-BDAKNGLRSA-N 2 2 211.309 0.077 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)C=CC[NH+](C)C ZINC000491904401 385000995 /nfs/dbraw/zinc/00/09/95/385000995.db2.gz JXAJGACIVUWRAT-PLNGDYQASA-N 2 2 219.288 0.868 20 0 BCADLP c1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)sn1 ZINC000404441780 385006021 /nfs/dbraw/zinc/00/60/21/385006021.db2.gz HSAYENUOWWBWAW-RKDXNWHRSA-N 2 2 209.318 0.794 20 0 BCADLP [NH3+]CC[N@H+](CCO)CCCc1ccncc1 ZINC000518375932 385006245 /nfs/dbraw/zinc/00/62/45/385006245.db2.gz KBSSNKUIKKXSFN-UHFFFAOYSA-N 2 2 223.320 0.267 20 0 BCADLP [NH3+]CC[N@@H+](CCO)CCCc1ccncc1 ZINC000518375932 385006252 /nfs/dbraw/zinc/00/62/52/385006252.db2.gz KBSSNKUIKKXSFN-UHFFFAOYSA-N 2 2 223.320 0.267 20 0 BCADLP C([NH2+][C@@H]1CC[C@@H]1C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423548138 385024881 /nfs/dbraw/zinc/02/48/81/385024881.db2.gz DRGDLZBOMOLWHI-QJPTWQEYSA-N 2 2 210.321 0.753 20 0 BCADLP C[C@@H](CC(=O)N[C@H](C[NH3+])C1CC1)n1cc[nH+]c1 ZINC000518390768 385040368 /nfs/dbraw/zinc/04/03/68/385040368.db2.gz HBDLCWRCVUQHLT-GXSJLCMTSA-N 2 2 236.319 0.688 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644715233 385132548 /nfs/dbraw/zinc/13/25/48/385132548.db2.gz QZIFPXAUDPEHKM-GDNZZTSVSA-N 2 2 221.304 0.362 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644715233 385132554 /nfs/dbraw/zinc/13/25/54/385132554.db2.gz QZIFPXAUDPEHKM-GDNZZTSVSA-N 2 2 221.304 0.362 20 0 BCADLP C[NH+](C)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000647644687 385182830 /nfs/dbraw/zinc/18/28/30/385182830.db2.gz PHBPIRLXLQTMMB-UHFFFAOYSA-N 2 2 218.260 0.834 20 0 BCADLP Cc1[nH+]c2ccccc2n1CC[NH2+]CCC(N)=O ZINC000557805523 385165386 /nfs/dbraw/zinc/16/53/86/385165386.db2.gz GULRHIQIHHPHKA-UHFFFAOYSA-N 2 2 246.314 0.810 20 0 BCADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCNC1=O ZINC000178205681 385206899 /nfs/dbraw/zinc/20/68/99/385206899.db2.gz OWZNLGOPBBLUIY-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCNC1=O ZINC000178205681 385206903 /nfs/dbraw/zinc/20/69/03/385206903.db2.gz OWZNLGOPBBLUIY-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCNC1=O ZINC000178205681 385206905 /nfs/dbraw/zinc/20/69/05/385206905.db2.gz OWZNLGOPBBLUIY-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCNC1=O ZINC000178205681 385206908 /nfs/dbraw/zinc/20/69/08/385206908.db2.gz OWZNLGOPBBLUIY-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP CC1(C)C[N@H+](CCCn2cc[nH+]c2)C[C@H]1O ZINC000279865782 385219887 /nfs/dbraw/zinc/21/98/87/385219887.db2.gz SWQZSBJUGXEMMH-LLVKDONJSA-N 2 2 223.320 0.976 20 0 BCADLP CC1(C)C[N@@H+](CCCn2cc[nH+]c2)C[C@H]1O ZINC000279865782 385219889 /nfs/dbraw/zinc/21/98/89/385219889.db2.gz SWQZSBJUGXEMMH-LLVKDONJSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H](C[S@](C)=O)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000308888056 385242323 /nfs/dbraw/zinc/24/23/23/385242323.db2.gz WLQRKMNZRVXMCV-CZFOOCMKSA-N 2 2 232.393 0.683 20 0 BCADLP C[C@H](C[S@](C)=O)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000308888056 385242326 /nfs/dbraw/zinc/24/23/26/385242326.db2.gz WLQRKMNZRVXMCV-CZFOOCMKSA-N 2 2 232.393 0.683 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157931918 385313213 /nfs/dbraw/zinc/31/32/13/385313213.db2.gz FHYHZIZHPBDJHO-YNEHKIRRSA-N 3 2 241.379 0.125 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157931918 385313219 /nfs/dbraw/zinc/31/32/19/385313219.db2.gz FHYHZIZHPBDJHO-YNEHKIRRSA-N 3 2 241.379 0.125 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+][C@@H](C)C[NH+](C)C ZINC000308965006 385317068 /nfs/dbraw/zinc/31/70/68/385317068.db2.gz UTZHWDLIOKLOPH-WDEREUQCSA-N 2 2 210.325 0.811 20 0 BCADLP Cc1[nH+]ccn1CCN1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000644730557 385259373 /nfs/dbraw/zinc/25/93/73/385259373.db2.gz APKBQDTUDYFSMC-QWHCGFSZSA-N 2 2 234.347 0.827 20 0 BCADLP Cc1[nH+]ccn1CCN1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000644730557 385259377 /nfs/dbraw/zinc/25/93/77/385259377.db2.gz APKBQDTUDYFSMC-QWHCGFSZSA-N 2 2 234.347 0.827 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]2CN(C)C[C@H]21 ZINC000644730557 385259382 /nfs/dbraw/zinc/25/93/82/385259382.db2.gz APKBQDTUDYFSMC-QWHCGFSZSA-N 2 2 234.347 0.827 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]2CN(C)C[C@H]21 ZINC000644730557 385259386 /nfs/dbraw/zinc/25/93/86/385259386.db2.gz APKBQDTUDYFSMC-QWHCGFSZSA-N 2 2 234.347 0.827 20 0 BCADLP C[N@@H+]1C[C@H]2CCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC000644732150 385273195 /nfs/dbraw/zinc/27/31/95/385273195.db2.gz HKAXVWRIXZJULG-NEPJUHHUSA-N 2 2 220.320 0.519 20 0 BCADLP C[N@H+]1C[C@H]2CCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC000644732150 385273197 /nfs/dbraw/zinc/27/31/97/385273197.db2.gz HKAXVWRIXZJULG-NEPJUHHUSA-N 2 2 220.320 0.519 20 0 BCADLP C/C=C/C=C\C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000211608301 385279059 /nfs/dbraw/zinc/27/90/59/385279059.db2.gz DGJPTZDJALYJEB-WRGWHIHZSA-N 2 2 223.320 0.220 20 0 BCADLP C/C=C/C=C\C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000211608301 385279067 /nfs/dbraw/zinc/27/90/67/385279067.db2.gz DGJPTZDJALYJEB-WRGWHIHZSA-N 2 2 223.320 0.220 20 0 BCADLP C[NH+](C)CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178095012 385334022 /nfs/dbraw/zinc/33/40/22/385334022.db2.gz FNDLMWRLQIDBFU-UHFFFAOYSA-N 2 2 232.287 0.512 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000158065431 385337626 /nfs/dbraw/zinc/33/76/26/385337626.db2.gz ZADSUASUHUWQQT-NWDGAFQWSA-N 2 2 241.379 0.737 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000158065431 385337630 /nfs/dbraw/zinc/33/76/30/385337630.db2.gz ZADSUASUHUWQQT-NWDGAFQWSA-N 2 2 241.379 0.737 20 0 BCADLP C[C@@H](C(=O)N(C)C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000158065431 385337634 /nfs/dbraw/zinc/33/76/34/385337634.db2.gz ZADSUASUHUWQQT-NWDGAFQWSA-N 2 2 241.379 0.737 20 0 BCADLP C[C@@H](C(=O)N(C)C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000158065431 385337638 /nfs/dbraw/zinc/33/76/38/385337638.db2.gz ZADSUASUHUWQQT-NWDGAFQWSA-N 2 2 241.379 0.737 20 0 BCADLP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@@H]1CCOC1 ZINC000390487270 385342979 /nfs/dbraw/zinc/34/29/79/385342979.db2.gz OAKCRWGEEYKTTD-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@@H]1CCOC1 ZINC000390487270 385342985 /nfs/dbraw/zinc/34/29/85/385342985.db2.gz OAKCRWGEEYKTTD-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](CC)[C@@H]1CCOC1 ZINC000390487270 385342988 /nfs/dbraw/zinc/34/29/88/385342988.db2.gz OAKCRWGEEYKTTD-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](CC)[C@@H]1CCOC1 ZINC000390487270 385342999 /nfs/dbraw/zinc/34/29/99/385342999.db2.gz OAKCRWGEEYKTTD-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000192100035 385343329 /nfs/dbraw/zinc/34/33/29/385343329.db2.gz PGYBTHAQZFBGMK-GMTAPVOTSA-N 2 2 238.335 0.619 20 0 BCADLP Cc1ncc(C[NH2+]CCC[NH+](C)C)cn1 ZINC000309063062 385391384 /nfs/dbraw/zinc/39/13/84/385391384.db2.gz XVMOOKCGEOQAMR-UHFFFAOYSA-N 2 2 208.309 0.826 20 0 BCADLP C[NH2+]C[C@H](C)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000179170376 385371046 /nfs/dbraw/zinc/37/10/46/385371046.db2.gz ZWIZZOXWSKVNEZ-JTQLQIEISA-N 2 2 246.314 0.920 20 0 BCADLP C[C@@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000192989356 385378439 /nfs/dbraw/zinc/37/84/39/385378439.db2.gz GJMPUUQGEXESNY-SNVBAGLBSA-N 2 2 209.293 0.901 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CC[N@H+]1CC=CCC1 ZINC000280857260 385378549 /nfs/dbraw/zinc/37/85/49/385378549.db2.gz BWYCLBQEMQQZPR-JTQLQIEISA-N 2 2 211.309 0.102 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CC[N@@H+]1CC=CCC1 ZINC000280857260 385378551 /nfs/dbraw/zinc/37/85/51/385378551.db2.gz BWYCLBQEMQQZPR-JTQLQIEISA-N 2 2 211.309 0.102 20 0 BCADLP Cc1nnc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)[nH]1 ZINC000405248480 385399245 /nfs/dbraw/zinc/39/92/45/385399245.db2.gz BMHXZNASSOPJED-CNUIFLNQSA-N 2 2 223.324 0.890 20 0 BCADLP CC(C)[C@H]([NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000165581602 385403123 /nfs/dbraw/zinc/40/31/23/385403123.db2.gz CVVKBIQTHHSSEW-MNOVXSKESA-N 2 2 238.335 0.619 20 0 BCADLP CC[C@H]1C[N@H+](CC2(C[NH3+])CC2)CC[C@H]1[NH3+] ZINC000647497407 385406472 /nfs/dbraw/zinc/40/64/72/385406472.db2.gz GRXQPIVHRYNQAK-WDEREUQCSA-N 3 2 211.353 0.785 20 0 BCADLP CC[C@H]1C[N@@H+](CC2(C[NH3+])CC2)CC[C@H]1[NH3+] ZINC000647497407 385406474 /nfs/dbraw/zinc/40/64/74/385406474.db2.gz GRXQPIVHRYNQAK-WDEREUQCSA-N 3 2 211.353 0.785 20 0 BCADLP CC[C@@H]1C[N@H+](CC2(C[NH3+])CC2)CC[C@@H]1[NH3+] ZINC000647497405 385406981 /nfs/dbraw/zinc/40/69/81/385406981.db2.gz GRXQPIVHRYNQAK-MNOVXSKESA-N 3 2 211.353 0.785 20 0 BCADLP CC[C@@H]1C[N@@H+](CC2(C[NH3+])CC2)CC[C@@H]1[NH3+] ZINC000647497405 385406983 /nfs/dbraw/zinc/40/69/83/385406983.db2.gz GRXQPIVHRYNQAK-MNOVXSKESA-N 3 2 211.353 0.785 20 0 BCADLP C=Cn1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cn1 ZINC000194535161 385438867 /nfs/dbraw/zinc/43/88/67/385438867.db2.gz BWBGKQGEIKTKAR-BETUJISGSA-N 2 2 232.331 0.977 20 0 BCADLP C=Cn1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cn1 ZINC000194535161 385438870 /nfs/dbraw/zinc/43/88/70/385438870.db2.gz BWBGKQGEIKTKAR-BETUJISGSA-N 2 2 232.331 0.977 20 0 BCADLP C=Cn1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cn1 ZINC000194535161 385438873 /nfs/dbraw/zinc/43/88/73/385438873.db2.gz BWBGKQGEIKTKAR-BETUJISGSA-N 2 2 232.331 0.977 20 0 BCADLP C=Cn1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cn1 ZINC000194535161 385438876 /nfs/dbraw/zinc/43/88/76/385438876.db2.gz BWBGKQGEIKTKAR-BETUJISGSA-N 2 2 232.331 0.977 20 0 BCADLP C[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000194949631 385452563 /nfs/dbraw/zinc/45/25/63/385452563.db2.gz BBMTZNKCTMHQDF-QWHCGFSZSA-N 2 2 242.363 0.411 20 0 BCADLP C[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000194949631 385452569 /nfs/dbraw/zinc/45/25/69/385452569.db2.gz BBMTZNKCTMHQDF-QWHCGFSZSA-N 2 2 242.363 0.411 20 0 BCADLP C[C@H](O)C[C@@H]1COCC[N@@H+]1CCn1cc[nH+]c1 ZINC000156888269 385472865 /nfs/dbraw/zinc/47/28/65/385472865.db2.gz NRVLPSOEMKREIL-NWDGAFQWSA-N 2 2 239.319 0.355 20 0 BCADLP C[C@H](O)C[C@@H]1COCC[N@H+]1CCn1cc[nH+]c1 ZINC000156888269 385472868 /nfs/dbraw/zinc/47/28/68/385472868.db2.gz NRVLPSOEMKREIL-NWDGAFQWSA-N 2 2 239.319 0.355 20 0 BCADLP CC[C@@](C)([NH2+]CCCn1cc[nH+]c1)C(N)=O ZINC000182943764 385492023 /nfs/dbraw/zinc/49/20/23/385492023.db2.gz NFBFDNAZKUTIRX-LLVKDONJSA-N 2 2 224.308 0.517 20 0 BCADLP CC[C@H](CO)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000309250270 385500174 /nfs/dbraw/zinc/50/01/74/385500174.db2.gz ZZXFHHUQKVPMRW-UMNHJUIQSA-N 2 2 212.337 0.830 20 0 BCADLP CC[C@H](CO)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000309250270 385500177 /nfs/dbraw/zinc/50/01/77/385500177.db2.gz ZZXFHHUQKVPMRW-UMNHJUIQSA-N 2 2 212.337 0.830 20 0 BCADLP CC[N@@H+]1CCCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000307869436 385505068 /nfs/dbraw/zinc/50/50/68/385505068.db2.gz PFRHRDWHJVDBKB-UHFFFAOYSA-N 2 2 236.323 0.294 20 0 BCADLP CC[N@H+]1CCCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000307869436 385505069 /nfs/dbraw/zinc/50/50/69/385505069.db2.gz PFRHRDWHJVDBKB-UHFFFAOYSA-N 2 2 236.323 0.294 20 0 BCADLP COc1ncc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000309341886 385540657 /nfs/dbraw/zinc/54/06/57/385540657.db2.gz KVUBWUZLYICLJT-DTORHVGOSA-N 2 2 239.344 0.803 20 0 BCADLP COc1ncc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000309341886 385540658 /nfs/dbraw/zinc/54/06/58/385540658.db2.gz KVUBWUZLYICLJT-DTORHVGOSA-N 2 2 239.344 0.803 20 0 BCADLP Cc1cc(N2CC[C@H]3CC[NH2+][C@H]3C2)nc[nH+]1 ZINC000643031317 385527467 /nfs/dbraw/zinc/52/74/67/385527467.db2.gz MVFGXKFHKYFDNF-MNOVXSKESA-N 2 2 218.304 0.973 20 0 BCADLP Cc1cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)nc[nH+]1 ZINC000643031316 385527612 /nfs/dbraw/zinc/52/76/12/385527612.db2.gz MVFGXKFHKYFDNF-GHMZBOCLSA-N 2 2 218.304 0.973 20 0 BCADLP Cc1cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)nc[nH+]1 ZINC000643031318 385527713 /nfs/dbraw/zinc/52/77/13/385527713.db2.gz MVFGXKFHKYFDNF-QWRGUYRKSA-N 2 2 218.304 0.973 20 0 BCADLP CCOC[C@H](O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181099344 385563660 /nfs/dbraw/zinc/56/36/60/385563660.db2.gz FFKPSVGRDUBLBX-GFCCVEGCSA-N 2 2 241.335 0.602 20 0 BCADLP CCOC[C@H](O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181099344 385563661 /nfs/dbraw/zinc/56/36/61/385563661.db2.gz FFKPSVGRDUBLBX-GFCCVEGCSA-N 2 2 241.335 0.602 20 0 BCADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CC(=O)NC)C1 ZINC000309404770 385571360 /nfs/dbraw/zinc/57/13/60/385571360.db2.gz ARHHYPSNIQCJAB-QWRGUYRKSA-N 2 2 227.352 0.585 20 0 BCADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CC(=O)NC)C1 ZINC000309404770 385571363 /nfs/dbraw/zinc/57/13/63/385571363.db2.gz ARHHYPSNIQCJAB-QWRGUYRKSA-N 2 2 227.352 0.585 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000309474768 385603372 /nfs/dbraw/zinc/60/33/72/385603372.db2.gz XXPITEPQFDDHJN-GFCCVEGCSA-N 2 2 227.352 0.573 20 0 BCADLP CCCCNC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000309474768 385603380 /nfs/dbraw/zinc/60/33/80/385603380.db2.gz XXPITEPQFDDHJN-GFCCVEGCSA-N 2 2 227.352 0.573 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1CCCSCC1)C1CC1 ZINC000309460763 385592633 /nfs/dbraw/zinc/59/26/33/385592633.db2.gz RSKUIPYOSZFKRK-GFCCVEGCSA-N 2 2 244.404 0.880 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCSCC1)C1CC1 ZINC000309460763 385592634 /nfs/dbraw/zinc/59/26/34/385592634.db2.gz RSKUIPYOSZFKRK-GFCCVEGCSA-N 2 2 244.404 0.880 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCCSCC1)C1CC1 ZINC000309460763 385592636 /nfs/dbraw/zinc/59/26/36/385592636.db2.gz RSKUIPYOSZFKRK-GFCCVEGCSA-N 2 2 244.404 0.880 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+]1CCCSCC1)C1CC1 ZINC000309460763 385592637 /nfs/dbraw/zinc/59/26/37/385592637.db2.gz RSKUIPYOSZFKRK-GFCCVEGCSA-N 2 2 244.404 0.880 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CCOC1 ZINC000309495166 385615301 /nfs/dbraw/zinc/61/53/01/385615301.db2.gz YZCHDTQHCRAAOU-RYUDHWBXSA-N 2 2 228.336 0.162 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CCOC1 ZINC000309495166 385615303 /nfs/dbraw/zinc/61/53/03/385615303.db2.gz YZCHDTQHCRAAOU-RYUDHWBXSA-N 2 2 228.336 0.162 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+](C)[C@H]1CCOC1)C1CC1 ZINC000309495166 385615308 /nfs/dbraw/zinc/61/53/08/385615308.db2.gz YZCHDTQHCRAAOU-RYUDHWBXSA-N 2 2 228.336 0.162 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+](C)[C@H]1CCOC1)C1CC1 ZINC000309495166 385615311 /nfs/dbraw/zinc/61/53/11/385615311.db2.gz YZCHDTQHCRAAOU-RYUDHWBXSA-N 2 2 228.336 0.162 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]Cc1cc[nH]c1 ZINC000184540127 385675945 /nfs/dbraw/zinc/67/59/45/385675945.db2.gz MKECRHLYOHJMSZ-UHFFFAOYSA-N 2 2 211.309 0.419 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]Cc1cc[nH]c1 ZINC000184540127 385675949 /nfs/dbraw/zinc/67/59/49/385675949.db2.gz MKECRHLYOHJMSZ-UHFFFAOYSA-N 2 2 211.309 0.419 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]CC1=CCCOC1 ZINC000184548757 385676620 /nfs/dbraw/zinc/67/66/20/385676620.db2.gz UUCXHBUYCUAHDB-UHFFFAOYSA-N 2 2 228.336 0.237 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]CC1=CCCOC1 ZINC000184548757 385676627 /nfs/dbraw/zinc/67/66/27/385676627.db2.gz UUCXHBUYCUAHDB-UHFFFAOYSA-N 2 2 228.336 0.237 20 0 BCADLP CC(C)C[C@H](C[NH3+])[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414856755 385717365 /nfs/dbraw/zinc/71/73/65/385717365.db2.gz ZLBDXJJYSBGFDQ-NWDGAFQWSA-N 3 2 213.369 0.949 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)C(=O)NCCF ZINC000337557293 385701947 /nfs/dbraw/zinc/70/19/47/385701947.db2.gz SDEKAMYQCQPZEG-DCAQKATOSA-N 2 2 245.342 0.390 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)C(=O)NCCF ZINC000337557293 385701949 /nfs/dbraw/zinc/70/19/49/385701949.db2.gz SDEKAMYQCQPZEG-DCAQKATOSA-N 2 2 245.342 0.390 20 0 BCADLP C[N@@H+](Cc1cc(F)cc(F)c1)C[C@@H](O)C[NH3+] ZINC000336735574 385701992 /nfs/dbraw/zinc/70/19/92/385701992.db2.gz IBJNDZNZDFXWEN-NSHDSACASA-N 2 2 230.258 0.716 20 0 BCADLP C[N@H+](Cc1cc(F)cc(F)c1)C[C@@H](O)C[NH3+] ZINC000336735574 385701997 /nfs/dbraw/zinc/70/19/97/385701997.db2.gz IBJNDZNZDFXWEN-NSHDSACASA-N 2 2 230.258 0.716 20 0 BCADLP CC[C@H]1C(=O)NCC[N@H+]1CCCn1cc[nH+]c1 ZINC000182791665 385706765 /nfs/dbraw/zinc/70/67/65/385706765.db2.gz OFJHCSNSERMXEM-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP CC[C@H]1C(=O)NCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182791665 385706771 /nfs/dbraw/zinc/70/67/71/385706771.db2.gz OFJHCSNSERMXEM-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP CCOC[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336654808 385739934 /nfs/dbraw/zinc/73/99/34/385739934.db2.gz NABDBWFEXIOSTI-VWYCJHECSA-N 2 2 200.326 0.951 20 0 BCADLP CCOC[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336654808 385739940 /nfs/dbraw/zinc/73/99/40/385739940.db2.gz NABDBWFEXIOSTI-VWYCJHECSA-N 2 2 200.326 0.951 20 0 BCADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc[nH]n1 ZINC000122719680 385752291 /nfs/dbraw/zinc/75/22/91/385752291.db2.gz JOFQAORYJSVBSH-ONGXEEELSA-N 2 2 208.309 0.840 20 0 BCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc[nH]n1 ZINC000122719680 385752294 /nfs/dbraw/zinc/75/22/94/385752294.db2.gz JOFQAORYJSVBSH-ONGXEEELSA-N 2 2 208.309 0.840 20 0 BCADLP CC(C)[N@H+](CCOCC[NH3+])CC(F)F ZINC000336699657 385758815 /nfs/dbraw/zinc/75/88/15/385758815.db2.gz WVBJSBKABIUNAT-UHFFFAOYSA-N 2 2 210.268 0.937 20 0 BCADLP CC(C)[N@@H+](CCOCC[NH3+])CC(F)F ZINC000336699657 385758818 /nfs/dbraw/zinc/75/88/18/385758818.db2.gz WVBJSBKABIUNAT-UHFFFAOYSA-N 2 2 210.268 0.937 20 0 BCADLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414863877 385761482 /nfs/dbraw/zinc/76/14/82/385761482.db2.gz JKXKWTFNKRIZPJ-WOPDTQHZSA-N 3 2 211.353 0.859 20 0 BCADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCNC1=O ZINC000282474918 385764830 /nfs/dbraw/zinc/76/48/30/385764830.db2.gz UYLMNWURXATEEU-SNVBAGLBSA-N 2 2 222.292 0.094 20 0 BCADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCNC1=O ZINC000282474918 385764834 /nfs/dbraw/zinc/76/48/34/385764834.db2.gz UYLMNWURXATEEU-SNVBAGLBSA-N 2 2 222.292 0.094 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H]1CCCSC1 ZINC000186575607 385772223 /nfs/dbraw/zinc/77/22/23/385772223.db2.gz CTOZQISYIDSLCT-NSHDSACASA-N 2 2 232.393 0.786 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CCCSC1 ZINC000186575607 385772227 /nfs/dbraw/zinc/77/22/27/385772227.db2.gz CTOZQISYIDSLCT-NSHDSACASA-N 2 2 232.393 0.786 20 0 BCADLP COC[C@H](O)C[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000282746042 385783039 /nfs/dbraw/zinc/78/30/39/385783039.db2.gz URMTXANSDLIBAU-GFCCVEGCSA-N 2 2 249.314 0.740 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336740543 385805867 /nfs/dbraw/zinc/80/58/67/385805867.db2.gz MJAIEGZXZVVCLB-UTUOFQBUSA-N 2 2 222.336 0.811 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336740543 385805872 /nfs/dbraw/zinc/80/58/72/385805872.db2.gz MJAIEGZXZVVCLB-UTUOFQBUSA-N 2 2 222.336 0.811 20 0 BCADLP C[N@H+](CCNC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000283357310 385817833 /nfs/dbraw/zinc/81/78/33/385817833.db2.gz CZFZBGFPVCTEAD-GORDUTHDSA-N 2 2 234.303 0.633 20 0 BCADLP C[N@@H+](CCNC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000283357310 385817838 /nfs/dbraw/zinc/81/78/38/385817838.db2.gz CZFZBGFPVCTEAD-GORDUTHDSA-N 2 2 234.303 0.633 20 0 BCADLP CN(C)c1ccc(CNC(=O)[C@@H]2CCC[NH2+]2)c[nH+]1 ZINC000261761377 385829065 /nfs/dbraw/zinc/82/90/65/385829065.db2.gz RELDNNHFRNHBPD-NSHDSACASA-N 2 2 248.330 0.516 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000414953949 385834274 /nfs/dbraw/zinc/83/42/74/385834274.db2.gz MHTUJKCNTAPFRB-TUAOUCFPSA-N 3 2 211.353 0.716 20 0 BCADLP C[NH+](C)[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000283898039 385838181 /nfs/dbraw/zinc/83/81/81/385838181.db2.gz IYSSEHNMYQBDOU-PGLGOXFNSA-N 2 2 234.303 0.585 20 0 BCADLP COc1nccnc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000294340402 385838990 /nfs/dbraw/zinc/83/89/90/385838990.db2.gz YKUPEDPXYCLJLK-JTQLQIEISA-N 2 2 247.302 0.860 20 0 BCADLP CC(C)CC[C@H]([NH3+])C(=O)NCCc1[nH]cc[nH+]1 ZINC000638111079 385843350 /nfs/dbraw/zinc/84/33/50/385843350.db2.gz BWEMLEWGASIOCL-JTQLQIEISA-N 2 2 238.335 0.832 20 0 BCADLP O=C(C=Cc1c[nH]c[nH+]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000283969036 385843464 /nfs/dbraw/zinc/84/34/64/385843464.db2.gz MDJVKTXBUHCGCX-PCAWENJQSA-N 2 2 246.314 0.730 20 0 BCADLP O=C(C=Cc1c[nH]c[nH+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000283969036 385843474 /nfs/dbraw/zinc/84/34/74/385843474.db2.gz MDJVKTXBUHCGCX-PCAWENJQSA-N 2 2 246.314 0.730 20 0 BCADLP C[C@@H](C[NH3+])NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000262446546 385847787 /nfs/dbraw/zinc/84/77/87/385847787.db2.gz CWNKYZGTPGLGCJ-VIFPVBQESA-N 2 2 232.287 0.340 20 0 BCADLP C[C@@H](C[NH3+])NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000262519221 385853931 /nfs/dbraw/zinc/85/39/31/385853931.db2.gz HTLYQHQVYQBJRC-VIFPVBQESA-N 2 2 245.286 0.344 20 0 BCADLP C[NH+](C)C[C@H]1CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000284156389 385854072 /nfs/dbraw/zinc/85/40/72/385854072.db2.gz WYJGSYWPBUVEKN-BTDICHCPSA-N 2 2 248.330 0.976 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC000647856381 385906567 /nfs/dbraw/zinc/90/65/67/385906567.db2.gz OQKUIGRZQSHOLM-LBPRGKRZSA-N 2 2 235.331 0.569 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC000647856381 385906570 /nfs/dbraw/zinc/90/65/70/385906570.db2.gz OQKUIGRZQSHOLM-LBPRGKRZSA-N 2 2 235.331 0.569 20 0 BCADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000294904176 385914718 /nfs/dbraw/zinc/91/47/18/385914718.db2.gz RUNMNIAUNCZXNV-PHIMTYICSA-N 2 2 221.304 0.761 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H]2C[NH2+]CCC2(F)F)c[nH+]1 ZINC000335034043 385922995 /nfs/dbraw/zinc/92/29/95/385922995.db2.gz UCSOQMRCOOPUBZ-QMMMGPOBSA-N 2 2 244.245 0.445 20 0 BCADLP CCCNC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814175 385867863 /nfs/dbraw/zinc/86/78/63/385867863.db2.gz AYDQDFLXBJLIRU-UHFFFAOYSA-N 2 2 239.363 0.729 20 0 BCADLP CCCNC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814175 385867866 /nfs/dbraw/zinc/86/78/66/385867866.db2.gz AYDQDFLXBJLIRU-UHFFFAOYSA-N 2 2 239.363 0.729 20 0 BCADLP COC(=O)C[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000272053485 385872246 /nfs/dbraw/zinc/87/22/46/385872246.db2.gz ZYFMHDXZOBKNDQ-UHFFFAOYSA-N 2 2 237.303 0.911 20 0 BCADLP COC(=O)C[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000272053485 385872251 /nfs/dbraw/zinc/87/22/51/385872251.db2.gz ZYFMHDXZOBKNDQ-UHFFFAOYSA-N 2 2 237.303 0.911 20 0 BCADLP C[C@H](c1nnnn1C1CC1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000647830553 385872260 /nfs/dbraw/zinc/87/22/60/385872260.db2.gz QJUJIYFHKQUVOJ-RKDXNWHRSA-N 2 2 236.323 0.350 20 0 BCADLP C[C@H](c1nnnn1C1CC1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000647830553 385872265 /nfs/dbraw/zinc/87/22/65/385872265.db2.gz QJUJIYFHKQUVOJ-RKDXNWHRSA-N 2 2 236.323 0.350 20 0 BCADLP C[C@@H](c1nnnn1C1CC1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000647830551 385872524 /nfs/dbraw/zinc/87/25/24/385872524.db2.gz QJUJIYFHKQUVOJ-DTWKUNHWSA-N 2 2 236.323 0.350 20 0 BCADLP C[C@@H](c1nnnn1C1CC1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000647830551 385872527 /nfs/dbraw/zinc/87/25/27/385872527.db2.gz QJUJIYFHKQUVOJ-DTWKUNHWSA-N 2 2 236.323 0.350 20 0 BCADLP Cn1ccc(C[N@H+](C)[C@@H]2CC[NH2+]C2)cc1=O ZINC000647837923 385881244 /nfs/dbraw/zinc/88/12/44/385881244.db2.gz MZFOBFHKNFVDBF-LLVKDONJSA-N 2 2 221.304 0.179 20 0 BCADLP Cn1ccc(C[N@@H+](C)[C@@H]2CC[NH2+]C2)cc1=O ZINC000647837923 385881246 /nfs/dbraw/zinc/88/12/46/385881246.db2.gz MZFOBFHKNFVDBF-LLVKDONJSA-N 2 2 221.304 0.179 20 0 BCADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)NC1CC1 ZINC000331793533 385976830 /nfs/dbraw/zinc/97/68/30/385976830.db2.gz CXCSDHKICIQRGO-JMJZKYOTSA-N 2 2 225.336 0.513 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335021136 385981199 /nfs/dbraw/zinc/98/11/99/385981199.db2.gz CGLUMENDNYUKPP-NWDGAFQWSA-N 3 2 225.380 0.916 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335021136 385981208 /nfs/dbraw/zinc/98/12/08/385981208.db2.gz CGLUMENDNYUKPP-NWDGAFQWSA-N 3 2 225.380 0.916 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000335041470 385933556 /nfs/dbraw/zinc/93/35/56/385933556.db2.gz ICLAEQBFZMGTJL-YPMHNXCESA-N 3 2 223.364 0.836 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335041470 385933560 /nfs/dbraw/zinc/93/35/60/385933560.db2.gz ICLAEQBFZMGTJL-YPMHNXCESA-N 3 2 223.364 0.836 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c[nH+]1 ZINC000335044501 385939149 /nfs/dbraw/zinc/93/91/49/385939149.db2.gz USJJYPLWTMPJAW-APPZFPTMSA-N 2 2 222.292 0.446 20 0 BCADLP CN(CC1CC1)C(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000647924101 385941001 /nfs/dbraw/zinc/94/10/01/385941001.db2.gz FNAGUJOAURPVKP-UHFFFAOYSA-N 2 2 239.363 0.668 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000392873340 385943737 /nfs/dbraw/zinc/94/37/37/385943737.db2.gz CUUMDUXVYLSGRQ-NSHDSACASA-N 2 2 221.304 0.971 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000392873340 385943741 /nfs/dbraw/zinc/94/37/41/385943741.db2.gz CUUMDUXVYLSGRQ-NSHDSACASA-N 2 2 221.304 0.971 20 0 BCADLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCc2cn[nH]c2)CCO1 ZINC000309186794 385993422 /nfs/dbraw/zinc/99/34/22/385993422.db2.gz AEZVIBDOLVOCPJ-MWLCHTKSSA-N 2 2 224.308 0.000 20 0 BCADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCc2cn[nH]c2)CCO1 ZINC000309186794 385993426 /nfs/dbraw/zinc/99/34/26/385993426.db2.gz AEZVIBDOLVOCPJ-MWLCHTKSSA-N 2 2 224.308 0.000 20 0 BCADLP C[C@H](O)CC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000425395958 385946020 /nfs/dbraw/zinc/94/60/20/385946020.db2.gz OPEJREJPPLBTSQ-NSHDSACASA-N 2 2 230.352 0.146 20 0 BCADLP C[C@H](O)CC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000425395958 385946023 /nfs/dbraw/zinc/94/60/23/385946023.db2.gz OPEJREJPPLBTSQ-NSHDSACASA-N 2 2 230.352 0.146 20 0 BCADLP COCCCCC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647863546 385959585 /nfs/dbraw/zinc/95/95/85/385959585.db2.gz DQJIIFZQMCRPNE-RYUDHWBXSA-N 2 2 230.352 0.851 20 0 BCADLP COCCCCC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647863546 385959590 /nfs/dbraw/zinc/95/95/90/385959590.db2.gz DQJIIFZQMCRPNE-RYUDHWBXSA-N 2 2 230.352 0.851 20 0 BCADLP C[C@@H](C[NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000285742948 385960403 /nfs/dbraw/zinc/96/04/03/385960403.db2.gz HWYUKWYNBNKEIP-VIFPVBQESA-N 2 2 232.287 0.545 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCc2cn[nH]c2)CCO1 ZINC000309186793 385993994 /nfs/dbraw/zinc/99/39/94/385993994.db2.gz AEZVIBDOLVOCPJ-KOLCDFICSA-N 2 2 224.308 0.000 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCc2cn[nH]c2)CCO1 ZINC000309186793 385993998 /nfs/dbraw/zinc/99/39/98/385993998.db2.gz AEZVIBDOLVOCPJ-KOLCDFICSA-N 2 2 224.308 0.000 20 0 BCADLP CC[NH+](CC)CCC[N@H+](CC)[C@@H]1CCNC1=O ZINC000338348161 385974119 /nfs/dbraw/zinc/97/41/19/385974119.db2.gz MJJGKNIVIRMBMC-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP CC[NH+](CC)CCC[N@@H+](CC)[C@@H]1CCNC1=O ZINC000338348161 385974123 /nfs/dbraw/zinc/97/41/23/385974123.db2.gz MJJGKNIVIRMBMC-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP C[C@@H]([NH3+])[C@H]1C[N@H+](Cc2cccc(N)c2)CCO1 ZINC000647865922 385999015 /nfs/dbraw/zinc/99/90/15/385999015.db2.gz XLGNDNNKNUYMAX-ZWNOBZJWSA-N 2 2 235.331 0.817 20 0 BCADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](Cc2cccc(N)c2)CCO1 ZINC000647865922 385999017 /nfs/dbraw/zinc/99/90/17/385999017.db2.gz XLGNDNNKNUYMAX-ZWNOBZJWSA-N 2 2 235.331 0.817 20 0 BCADLP COc1ncc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000309341889 386003753 /nfs/dbraw/zinc/00/37/53/386003753.db2.gz KVUBWUZLYICLJT-IUCAKERBSA-N 2 2 239.344 0.803 20 0 BCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1nccs1 ZINC000336750384 386003963 /nfs/dbraw/zinc/00/39/63/386003963.db2.gz UUJLVSOLAXPFKC-GXSJLCMTSA-N 2 2 241.360 0.860 20 0 BCADLP CC[C@H]([NH3+])C[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000414974408 386009299 /nfs/dbraw/zinc/00/92/99/386009299.db2.gz DKJJUEXKVBDPEJ-VIFPVBQESA-N 2 2 225.292 0.628 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000336770215 386011910 /nfs/dbraw/zinc/01/19/10/386011910.db2.gz WLHAOUDTFATOSY-BBBLOLIVSA-N 2 2 213.325 0.323 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000336770215 386011912 /nfs/dbraw/zinc/01/19/12/386011912.db2.gz WLHAOUDTFATOSY-BBBLOLIVSA-N 2 2 213.325 0.323 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000336752098 386013992 /nfs/dbraw/zinc/01/39/92/386013992.db2.gz VLFQIOVZQFKHSB-GHMZBOCLSA-N 2 2 227.352 0.714 20 0 BCADLP C[NH+](C)[C@@H]1CCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000234240365 386033879 /nfs/dbraw/zinc/03/38/79/386033879.db2.gz XFMYDJYBUYWXCA-SSDOTTSWSA-N 2 2 241.726 0.853 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334456493 386107517 /nfs/dbraw/zinc/10/75/17/386107517.db2.gz HIIDIDMANNLCBQ-ZDUSSCGKSA-N 2 2 239.363 0.540 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334456493 386107523 /nfs/dbraw/zinc/10/75/23/386107523.db2.gz HIIDIDMANNLCBQ-ZDUSSCGKSA-N 2 2 239.363 0.540 20 0 BCADLP CCNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334456493 386107526 /nfs/dbraw/zinc/10/75/26/386107526.db2.gz HIIDIDMANNLCBQ-ZDUSSCGKSA-N 2 2 239.363 0.540 20 0 BCADLP CCNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000334456493 386107528 /nfs/dbraw/zinc/10/75/28/386107528.db2.gz HIIDIDMANNLCBQ-ZDUSSCGKSA-N 2 2 239.363 0.540 20 0 BCADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000638587091 386058499 /nfs/dbraw/zinc/05/84/99/386058499.db2.gz YSPMZVWQAPOUSO-GFCCVEGCSA-N 2 2 241.379 0.977 20 0 BCADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000638587091 386058503 /nfs/dbraw/zinc/05/85/03/386058503.db2.gz YSPMZVWQAPOUSO-GFCCVEGCSA-N 2 2 241.379 0.977 20 0 BCADLP Cc1cc(NC(=O)NC[C@@H]([NH3+])C2CC2)cc[nH+]1 ZINC000415406432 386060499 /nfs/dbraw/zinc/06/04/99/386060499.db2.gz ZTIMONKKAFAXKI-LLVKDONJSA-N 2 2 234.303 0.671 20 0 BCADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3COC[C@H]3O)n2c1 ZINC000295616767 386061697 /nfs/dbraw/zinc/06/16/97/386061697.db2.gz ODFBASZKGSCYIV-VXGBXAGGSA-N 2 2 247.298 0.492 20 0 BCADLP C[NH2+]C[C@@H](C)CNC(=O)Nc1cc[nH+]cc1C ZINC000415384083 386067888 /nfs/dbraw/zinc/06/78/88/386067888.db2.gz MJVPYFROMBKNMY-SECBINFHSA-N 2 2 236.319 0.789 20 0 BCADLP CC[NH2+]CCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000415394688 386073729 /nfs/dbraw/zinc/07/37/29/386073729.db2.gz LPEVACCHPHTKHI-UHFFFAOYSA-N 2 2 222.292 0.543 20 0 BCADLP CCn1cc[nH+]c1CNC(=O)C[NH+](CC)CC ZINC000295697102 386073871 /nfs/dbraw/zinc/07/38/71/386073871.db2.gz ISDYVHMAOAAWFT-UHFFFAOYSA-N 2 2 238.335 0.861 20 0 BCADLP [NH3+][C@@H]1CCC[N@H+](CCC(=O)NC2CCCC2)C1 ZINC000346096276 386146569 /nfs/dbraw/zinc/14/65/69/386146569.db2.gz PDJWTFXORJANNW-LLVKDONJSA-N 2 2 239.363 0.858 20 0 BCADLP [NH3+][C@@H]1CCC[N@@H+](CCC(=O)NC2CCCC2)C1 ZINC000346096276 386146573 /nfs/dbraw/zinc/14/65/73/386146573.db2.gz PDJWTFXORJANNW-LLVKDONJSA-N 2 2 239.363 0.858 20 0 BCADLP CC(C)C[C@@H]([NH3+])CN(C)CC[NH+]1CCOCC1 ZINC000414688393 386176798 /nfs/dbraw/zinc/17/67/98/386176798.db2.gz DFBMYRSIZAXBIQ-CYBMUJFWSA-N 2 2 243.395 0.624 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)CCN1CCOCC1 ZINC000414688393 386176803 /nfs/dbraw/zinc/17/68/03/386176803.db2.gz DFBMYRSIZAXBIQ-CYBMUJFWSA-N 2 2 243.395 0.624 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)CCN1CCOCC1 ZINC000414688393 386176808 /nfs/dbraw/zinc/17/68/08/386176808.db2.gz DFBMYRSIZAXBIQ-CYBMUJFWSA-N 2 2 243.395 0.624 20 0 BCADLP [NH3+]CCC[NH+]1CCN(Cc2cscn2)CC1 ZINC000414691073 386185031 /nfs/dbraw/zinc/18/50/31/386185031.db2.gz NWAWNYYUSORVML-UHFFFAOYSA-N 2 2 240.376 0.610 20 0 BCADLP C[NH+](C)CC1(NC(=O)Cn2cc[nH+]c2)CCC1 ZINC000331904303 386203805 /nfs/dbraw/zinc/20/38/05/386203805.db2.gz CBCKJWLBOPXXBE-UHFFFAOYSA-N 2 2 236.319 0.484 20 0 BCADLP C[C@H](c1ccccc1)[N@H+](CCC[NH3+])CC(N)=O ZINC000414700285 386205076 /nfs/dbraw/zinc/20/50/76/386205076.db2.gz GCHHGNIUYZVELY-LLVKDONJSA-N 2 2 235.331 0.884 20 0 BCADLP C[C@H](c1ccccc1)[N@@H+](CCC[NH3+])CC(N)=O ZINC000414700285 386205081 /nfs/dbraw/zinc/20/50/81/386205081.db2.gz GCHHGNIUYZVELY-LLVKDONJSA-N 2 2 235.331 0.884 20 0 BCADLP O=C1CCN(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000365610851 386209329 /nfs/dbraw/zinc/20/93/29/386209329.db2.gz GCPYLRJPHYPQSB-SNVBAGLBSA-N 2 2 248.330 0.479 20 0 BCADLP O=C1CCN(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000365610851 386209337 /nfs/dbraw/zinc/20/93/37/386209337.db2.gz GCPYLRJPHYPQSB-SNVBAGLBSA-N 2 2 248.330 0.479 20 0 BCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nnnn1C1CC1 ZINC000131642360 386213763 /nfs/dbraw/zinc/21/37/63/386213763.db2.gz OTIUKEQCTVRRKN-RKDXNWHRSA-N 2 2 236.323 0.177 20 0 BCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nnnn1C1CC1 ZINC000131642360 386213768 /nfs/dbraw/zinc/21/37/68/386213768.db2.gz OTIUKEQCTVRRKN-RKDXNWHRSA-N 2 2 236.323 0.177 20 0 BCADLP CC[NH+](CC)C[C@H]1CC[N@H+](CCC[NH3+])C1 ZINC000414711906 386226406 /nfs/dbraw/zinc/22/64/06/386226406.db2.gz TUWIFBCCLJHCTN-GFCCVEGCSA-N 3 2 213.369 0.999 20 0 BCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC[NH3+])C1 ZINC000414711906 386226410 /nfs/dbraw/zinc/22/64/10/386226410.db2.gz TUWIFBCCLJHCTN-GFCCVEGCSA-N 3 2 213.369 0.999 20 0 BCADLP CC(C)[N@H+](C)CC(=O)NCc1[nH+]ccn1C ZINC000264325874 386226466 /nfs/dbraw/zinc/22/64/66/386226466.db2.gz ROCZUKNESZPBSK-UHFFFAOYSA-N 2 2 224.308 0.377 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)NCc1[nH+]ccn1C ZINC000264325874 386226471 /nfs/dbraw/zinc/22/64/71/386226471.db2.gz ROCZUKNESZPBSK-UHFFFAOYSA-N 2 2 224.308 0.377 20 0 BCADLP O=C1C[N@H+](C[C@@H]2CC[NH2+]C2)[C@H]2CCCC[C@H]2N1 ZINC000647882944 386234091 /nfs/dbraw/zinc/23/40/91/386234091.db2.gz RECOZQZJSFMGFI-UTUOFQBUSA-N 2 2 237.347 0.339 20 0 BCADLP O=C1C[N@@H+](C[C@@H]2CC[NH2+]C2)[C@H]2CCCC[C@H]2N1 ZINC000647882944 386234095 /nfs/dbraw/zinc/23/40/95/386234095.db2.gz RECOZQZJSFMGFI-UTUOFQBUSA-N 2 2 237.347 0.339 20 0 BCADLP O=C1C[N@H+](C[C@@H]2CC[NH2+]C2)[C@H]2CCCC[C@@H]2N1 ZINC000647882945 386234710 /nfs/dbraw/zinc/23/47/10/386234710.db2.gz RECOZQZJSFMGFI-WOPDTQHZSA-N 2 2 237.347 0.339 20 0 BCADLP O=C1C[N@@H+](C[C@@H]2CC[NH2+]C2)[C@H]2CCCC[C@@H]2N1 ZINC000647882945 386234712 /nfs/dbraw/zinc/23/47/12/386234712.db2.gz RECOZQZJSFMGFI-WOPDTQHZSA-N 2 2 237.347 0.339 20 0 BCADLP O=C1C[N@H+](C[C@@H]2CC[NH2+]C2)[C@@H]2CCCC[C@@H]2N1 ZINC000647882942 386235145 /nfs/dbraw/zinc/23/51/45/386235145.db2.gz RECOZQZJSFMGFI-GRYCIOLGSA-N 2 2 237.347 0.339 20 0 BCADLP O=C1C[N@@H+](C[C@@H]2CC[NH2+]C2)[C@@H]2CCCC[C@@H]2N1 ZINC000647882942 386235148 /nfs/dbraw/zinc/23/51/48/386235148.db2.gz RECOZQZJSFMGFI-GRYCIOLGSA-N 2 2 237.347 0.339 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc2c(c1)nnn2C ZINC000347090390 386244038 /nfs/dbraw/zinc/24/40/38/386244038.db2.gz FYQJAQKBJPVXGI-SECBINFHSA-N 2 2 233.319 0.747 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc2c(c1)nnn2C ZINC000347090390 386244044 /nfs/dbraw/zinc/24/40/44/386244044.db2.gz FYQJAQKBJPVXGI-SECBINFHSA-N 2 2 233.319 0.747 20 0 BCADLP CC(C)OC(=O)[C@H](C)[N@H+](C)CCC[NH3+] ZINC000414698553 386198254 /nfs/dbraw/zinc/19/82/54/386198254.db2.gz DAYNMCOLDXTUJQ-VIFPVBQESA-N 2 2 202.298 0.607 20 0 BCADLP CC(C)OC(=O)[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000414698553 386198258 /nfs/dbraw/zinc/19/82/58/386198258.db2.gz DAYNMCOLDXTUJQ-VIFPVBQESA-N 2 2 202.298 0.607 20 0 BCADLP [NH3+]CCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000414698092 386198784 /nfs/dbraw/zinc/19/87/84/386198784.db2.gz RUKOZHQHLCNGFG-ZDUSSCGKSA-N 3 2 241.379 0.379 20 0 BCADLP [NH3+]CCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000414698092 386198787 /nfs/dbraw/zinc/19/87/87/386198787.db2.gz RUKOZHQHLCNGFG-ZDUSSCGKSA-N 3 2 241.379 0.379 20 0 BCADLP CC[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)CS(C)(=O)=O ZINC000647885805 386286072 /nfs/dbraw/zinc/28/60/72/386286072.db2.gz SODJLIGDJCLTBP-WDEREUQCSA-N 2 2 248.392 0.351 20 0 BCADLP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)CS(C)(=O)=O ZINC000647885805 386286074 /nfs/dbraw/zinc/28/60/74/386286074.db2.gz SODJLIGDJCLTBP-WDEREUQCSA-N 2 2 248.392 0.351 20 0 BCADLP CC[C@@H]1C(=O)N(CC)CC[N@H+]1CCC[NH3+] ZINC000414734936 386297411 /nfs/dbraw/zinc/29/74/11/386297411.db2.gz FEUQNEHFHDJJAW-SNVBAGLBSA-N 2 2 213.325 0.278 20 0 BCADLP CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CCC[NH3+] ZINC000414734936 386297417 /nfs/dbraw/zinc/29/74/17/386297417.db2.gz FEUQNEHFHDJJAW-SNVBAGLBSA-N 2 2 213.325 0.278 20 0 BCADLP C[C@@H]1C[N@H+](CC[NH2+]C(C)(C)C)C[C@H]1CO ZINC000414737127 386305462 /nfs/dbraw/zinc/30/54/62/386305462.db2.gz IKTMBMFCOAOXOR-MNOVXSKESA-N 2 2 214.353 0.935 20 0 BCADLP C[C@@H]1C[N@@H+](CC[NH2+]C(C)(C)C)C[C@H]1CO ZINC000414737127 386305465 /nfs/dbraw/zinc/30/54/65/386305465.db2.gz IKTMBMFCOAOXOR-MNOVXSKESA-N 2 2 214.353 0.935 20 0 BCADLP COCCC[N@H+](CCO)CC[NH2+]C(C)(C)C ZINC000414737113 386305612 /nfs/dbraw/zinc/30/56/12/386305612.db2.gz AAOYIJHUJOTDMD-UHFFFAOYSA-N 2 2 232.368 0.705 20 0 BCADLP COCCC[N@@H+](CCO)CC[NH2+]C(C)(C)C ZINC000414737113 386305617 /nfs/dbraw/zinc/30/56/17/386305617.db2.gz AAOYIJHUJOTDMD-UHFFFAOYSA-N 2 2 232.368 0.705 20 0 BCADLP CCC(=O)N1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000425518977 386309622 /nfs/dbraw/zinc/30/96/22/386309622.db2.gz NSHQNRMDIVARQB-UHFFFAOYSA-N 2 2 222.292 0.395 20 0 BCADLP CCC(=O)N1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000425518977 386309627 /nfs/dbraw/zinc/30/96/27/386309627.db2.gz NSHQNRMDIVARQB-UHFFFAOYSA-N 2 2 222.292 0.395 20 0 BCADLP C[C@H](O)CC[N@H+](C)CCc1c[nH+]cn1C ZINC000289510068 386320293 /nfs/dbraw/zinc/32/02/93/386320293.db2.gz FJMVGLFRWIXRJF-JTQLQIEISA-N 2 2 211.309 0.665 20 0 BCADLP C[C@H](O)CC[N@@H+](C)CCc1c[nH+]cn1C ZINC000289510068 386320296 /nfs/dbraw/zinc/32/02/96/386320296.db2.gz FJMVGLFRWIXRJF-JTQLQIEISA-N 2 2 211.309 0.665 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000414739071 386321682 /nfs/dbraw/zinc/32/16/82/386321682.db2.gz JVTAPCWUTRLYJY-MNOVXSKESA-N 2 2 212.337 0.817 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000414739071 386321686 /nfs/dbraw/zinc/32/16/86/386321686.db2.gz JVTAPCWUTRLYJY-MNOVXSKESA-N 2 2 212.337 0.817 20 0 BCADLP Cc1ccc(O)c(C[NH2+]C[C@@H]([NH3+])C2CC2)n1 ZINC000414903501 386342347 /nfs/dbraw/zinc/34/23/47/386342347.db2.gz ZWHGNTRBHXGCBA-SNVBAGLBSA-N 2 2 221.304 0.923 20 0 BCADLP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@H]1CC[NH2+]C1 ZINC000335279045 386348521 /nfs/dbraw/zinc/34/85/21/386348521.db2.gz OSOIDVQKMKJLOR-IUCAKERBSA-N 3 2 219.279 0.183 20 0 BCADLP C1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C[NH2+]C1 ZINC000335269931 386353814 /nfs/dbraw/zinc/35/38/14/386353814.db2.gz LAGXQZWVISDQHK-VXGBXAGGSA-N 3 2 211.353 0.860 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C/C[NH+](C)C ZINC000265635125 386355141 /nfs/dbraw/zinc/35/51/41/386355141.db2.gz KLGZSZFPCHIHBN-ZWNMCFTASA-N 2 2 236.319 0.506 20 0 BCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CCC[NH2+]1 ZINC000237130161 386359975 /nfs/dbraw/zinc/35/99/75/386359975.db2.gz XWEZCIQYLJDQHA-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP CC(C)[C@H](CO)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336691108 386360295 /nfs/dbraw/zinc/36/02/95/386360295.db2.gz PDBZRTDKDNOHDZ-AXFHLTTASA-N 2 2 200.326 0.543 20 0 BCADLP CC(C)[C@H](CO)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336691108 386360297 /nfs/dbraw/zinc/36/02/97/386360297.db2.gz PDBZRTDKDNOHDZ-AXFHLTTASA-N 2 2 200.326 0.543 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]C[C@@H]1CCSC1 ZINC000336774464 386372687 /nfs/dbraw/zinc/37/26/87/386372687.db2.gz ZWDWRFWXKRPXDF-NSHDSACASA-N 2 2 232.393 0.643 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]C[C@@H]1CCSC1 ZINC000336774464 386372694 /nfs/dbraw/zinc/37/26/94/386372694.db2.gz ZWDWRFWXKRPXDF-NSHDSACASA-N 2 2 232.393 0.643 20 0 BCADLP COC(=O)c1coc(C[NH2+][C@@H](C)[C@H](C)[NH3+])c1 ZINC000415007916 386372870 /nfs/dbraw/zinc/37/28/70/386372870.db2.gz DKBAESZNPHGNFB-YUMQZZPRSA-N 2 2 226.276 0.892 20 0 BCADLP CCN(CC)c1ccc(CNC(=O)C[NH3+])c[nH+]1 ZINC000236906244 386326405 /nfs/dbraw/zinc/32/64/05/386326405.db2.gz SXTKBCLDSACSDM-UHFFFAOYSA-N 2 2 236.319 0.503 20 0 BCADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1cn[nH]c1 ZINC000289579243 386330124 /nfs/dbraw/zinc/33/01/24/386330124.db2.gz RAWYGXWQLXEVQQ-BXKDBHETSA-N 2 2 238.335 0.515 20 0 BCADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1cn[nH]c1 ZINC000289579243 386330134 /nfs/dbraw/zinc/33/01/34/386330134.db2.gz RAWYGXWQLXEVQQ-BXKDBHETSA-N 2 2 238.335 0.515 20 0 BCADLP C[NH+](C)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000277511545 386443150 /nfs/dbraw/zinc/44/31/50/386443150.db2.gz QDMWJUAQYCEHKI-ONEGZZNKSA-N 2 2 208.265 0.101 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000637855347 386450723 /nfs/dbraw/zinc/45/07/23/386450723.db2.gz UEAGPEBRESIVHF-SNVBAGLBSA-N 2 2 222.292 0.114 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000637855347 386450729 /nfs/dbraw/zinc/45/07/29/386450729.db2.gz UEAGPEBRESIVHF-SNVBAGLBSA-N 2 2 222.292 0.114 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000647891573 386394259 /nfs/dbraw/zinc/39/42/59/386394259.db2.gz SVARPFCYTOVALR-NWDGAFQWSA-N 2 2 228.336 0.476 20 0 BCADLP C[NH2+]CCC[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000647891573 386394263 /nfs/dbraw/zinc/39/42/63/386394263.db2.gz SVARPFCYTOVALR-NWDGAFQWSA-N 2 2 228.336 0.476 20 0 BCADLP [NH3+]CCC[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000414755353 386394613 /nfs/dbraw/zinc/39/46/13/386394613.db2.gz OWONOJPUINYBOR-LBPRGKRZSA-N 2 2 228.336 0.463 20 0 BCADLP [NH3+]CCC[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000414755353 386394615 /nfs/dbraw/zinc/39/46/15/386394615.db2.gz OWONOJPUINYBOR-LBPRGKRZSA-N 2 2 228.336 0.463 20 0 BCADLP CN(C)c1ncc(C[N@H+](C)C2CC([NH3+])C2)cn1 ZINC000414782114 386503097 /nfs/dbraw/zinc/50/30/97/386503097.db2.gz WZDXRJKGCHPSHH-UHFFFAOYSA-N 2 2 235.335 0.464 20 0 BCADLP CN(C)c1ncc(C[N@@H+](C)C2CC([NH3+])C2)cn1 ZINC000414782114 386503103 /nfs/dbraw/zinc/50/31/03/386503103.db2.gz WZDXRJKGCHPSHH-UHFFFAOYSA-N 2 2 235.335 0.464 20 0 BCADLP C[NH2+]C[C@@H]1CCN(CC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000519606875 386504269 /nfs/dbraw/zinc/50/42/69/386504269.db2.gz OGYFCTCJUUXSKL-OLZOCXBDSA-N 2 2 241.379 0.248 20 0 BCADLP C[NH2+]C[C@@H]1CCN(CC[N@H+]2CCO[C@H](C)C2)C1 ZINC000519606875 386504274 /nfs/dbraw/zinc/50/42/74/386504274.db2.gz OGYFCTCJUUXSKL-OLZOCXBDSA-N 2 2 241.379 0.248 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](C)C1 ZINC000415020033 386509162 /nfs/dbraw/zinc/50/91/62/386509162.db2.gz APZXROIHRNQVDO-IEECTRCBSA-N 3 2 223.364 0.524 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](C)C1 ZINC000415020033 386509165 /nfs/dbraw/zinc/50/91/65/386509165.db2.gz APZXROIHRNQVDO-IEECTRCBSA-N 3 2 223.364 0.524 20 0 BCADLP CC(C)(C)n1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cn1 ZINC000415030863 386518752 /nfs/dbraw/zinc/51/87/52/386518752.db2.gz FMEUQRNXYRCYPC-GDNZZTSVSA-N 2 2 234.347 0.946 20 0 BCADLP c1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2c(c1)OCCO2 ZINC000415035434 386522539 /nfs/dbraw/zinc/52/25/39/386522539.db2.gz KWCQLIZVGCQGMM-PJXYFTJBSA-N 2 2 246.310 0.765 20 0 BCADLP [NH3+][C@@H]1CC[N@H+](CCC(=O)NC2CCCC2)C1 ZINC000430638878 386463254 /nfs/dbraw/zinc/46/32/54/386463254.db2.gz NYZZMUWGMISFSQ-SNVBAGLBSA-N 2 2 225.336 0.468 20 0 BCADLP [NH3+][C@@H]1CC[N@@H+](CCC(=O)NC2CCCC2)C1 ZINC000430638878 386463259 /nfs/dbraw/zinc/46/32/59/386463259.db2.gz NYZZMUWGMISFSQ-SNVBAGLBSA-N 2 2 225.336 0.468 20 0 BCADLP CC(C)[C@](C)([NH2+]CCCn1cc[nH+]c1)C(N)=O ZINC000289376127 386576956 /nfs/dbraw/zinc/57/69/56/386576956.db2.gz PNZYNNYSRVOOFX-LBPRGKRZSA-N 2 2 238.335 0.763 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000335413024 386577715 /nfs/dbraw/zinc/57/77/15/386577715.db2.gz SJZCBQMVOKYWOQ-MNOVXSKESA-N 2 2 239.363 0.727 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000335413024 386577723 /nfs/dbraw/zinc/57/77/23/386577723.db2.gz SJZCBQMVOKYWOQ-MNOVXSKESA-N 2 2 239.363 0.727 20 0 BCADLP CCn1nccc1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414800619 386586264 /nfs/dbraw/zinc/58/62/64/386586264.db2.gz SGMKIIHBSDLMLJ-LLVKDONJSA-N 2 2 210.325 0.976 20 0 BCADLP C[C@H]([C@H](C)N[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000415078421 386587727 /nfs/dbraw/zinc/58/77/27/386587727.db2.gz IOIRRMRGDIKHAW-TUAOUCFPSA-N 2 2 227.352 0.047 20 0 BCADLP C[C@H]([C@H](C)[NH2+][C@H]1CC[NH2+]C1)N1CCOCC1 ZINC000415078421 386587735 /nfs/dbraw/zinc/58/77/35/386587735.db2.gz IOIRRMRGDIKHAW-TUAOUCFPSA-N 2 2 227.352 0.047 20 0 BCADLP C[C@@H](COCC(F)(F)F)[NH2+][C@H]1CC[NH2+]C1 ZINC000415080907 386591168 /nfs/dbraw/zinc/59/11/68/386591168.db2.gz MIMCXHAFYAEJFX-YUMQZZPRSA-N 2 2 226.242 0.905 20 0 BCADLP Cn1nccc1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000415045308 386531772 /nfs/dbraw/zinc/53/17/72/386531772.db2.gz BLRZWEGSNOYKAE-SNVBAGLBSA-N 2 2 210.325 0.883 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000399385793 386539994 /nfs/dbraw/zinc/53/99/94/386539994.db2.gz QDLDQPQVVSXYSO-LDYMZIIASA-N 2 2 238.335 0.954 20 0 BCADLP Cn1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cn1 ZINC000415061545 386540959 /nfs/dbraw/zinc/54/09/59/386540959.db2.gz YJSHFGVAYYUENA-SNVBAGLBSA-N 2 2 210.325 0.883 20 0 BCADLP COCC[N@H+](C)Cc1c[nH+]c(N(C)C)n1C ZINC000425320270 386559798 /nfs/dbraw/zinc/55/97/98/386559798.db2.gz CNLOYUNESXNYJT-UHFFFAOYSA-N 2 2 226.324 0.564 20 0 BCADLP COCC[N@@H+](C)Cc1c[nH+]c(N(C)C)n1C ZINC000425320270 386559801 /nfs/dbraw/zinc/55/98/01/386559801.db2.gz CNLOYUNESXNYJT-UHFFFAOYSA-N 2 2 226.324 0.564 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414794711 386560024 /nfs/dbraw/zinc/56/00/24/386560024.db2.gz MAGNEDJUYKECDJ-CYBMUJFWSA-N 3 2 242.411 0.245 20 0 BCADLP CCN(C)C(=O)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000332062349 386560758 /nfs/dbraw/zinc/56/07/58/386560758.db2.gz ZDPYLCJCZVEWQF-GHMZBOCLSA-N 2 2 227.352 0.714 20 0 BCADLP Cc1nn(C)cc1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414793007 386561140 /nfs/dbraw/zinc/56/11/40/386561140.db2.gz JONQLCOCBRHATO-NSHDSACASA-N 2 2 210.325 0.801 20 0 BCADLP CCN(C)C(=O)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000332062350 386561516 /nfs/dbraw/zinc/56/15/16/386561516.db2.gz ZDPYLCJCZVEWQF-MNOVXSKESA-N 2 2 227.352 0.714 20 0 BCADLP [NH3+]Cc1cc(C(=O)NCC[N@@H+]2CC=CCC2)co1 ZINC000519821431 386562006 /nfs/dbraw/zinc/56/20/06/386562006.db2.gz DRVNHHAOBHAKNC-UHFFFAOYSA-N 2 2 249.314 0.730 20 0 BCADLP Cc1ccc(O)c(C[NH2+][C@@H](C[NH3+])C2CC2)n1 ZINC000414796852 386570340 /nfs/dbraw/zinc/57/03/40/386570340.db2.gz IBZKGAZUTJTHOT-JTQLQIEISA-N 2 2 221.304 0.923 20 0 BCADLP COc1ccc2c(c1)OC[C@@H]([NH2+][C@H]1CC[NH2+]C1)C2 ZINC000415102116 386624794 /nfs/dbraw/zinc/62/47/94/386624794.db2.gz JIVKFCFJUCILEA-RYUDHWBXSA-N 2 2 248.326 0.950 20 0 BCADLP COC(=O)c1coc(C[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000414811839 386627864 /nfs/dbraw/zinc/62/78/64/386627864.db2.gz WRTJHZJVKIVPRK-NSHDSACASA-N 2 2 238.287 0.893 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279241175 386653741 /nfs/dbraw/zinc/65/37/41/386653741.db2.gz SLPCXUJXXCABEA-GFCCVEGCSA-N 2 2 248.330 0.961 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000279241175 386653744 /nfs/dbraw/zinc/65/37/44/386653744.db2.gz SLPCXUJXXCABEA-GFCCVEGCSA-N 2 2 248.330 0.961 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CC[NH+](C)C ZINC000278967443 386612071 /nfs/dbraw/zinc/61/20/71/386612071.db2.gz XFGMUJHNKVSQMT-VIFPVBQESA-N 2 2 238.335 0.717 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C)CC[NH+](C)C ZINC000278967443 386612075 /nfs/dbraw/zinc/61/20/75/386612075.db2.gz XFGMUJHNKVSQMT-VIFPVBQESA-N 2 2 238.335 0.717 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)nn1 ZINC000328687807 386612138 /nfs/dbraw/zinc/61/21/38/386612138.db2.gz ZINKPIDSIYOVGA-JTQLQIEISA-N 2 2 246.318 0.538 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)nn1 ZINC000328687807 386612145 /nfs/dbraw/zinc/61/21/45/386612145.db2.gz ZINKPIDSIYOVGA-JTQLQIEISA-N 2 2 246.318 0.538 20 0 BCADLP Oc1cc(F)cc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1 ZINC000415095675 386614760 /nfs/dbraw/zinc/61/47/60/386614760.db2.gz NNJOOALEOPPPGJ-LBPRGKRZSA-N 2 2 240.278 0.609 20 0 BCADLP Cc1cc(CNC(=O)C2(C)C[NH2+]C2)cc(C)[nH+]1 ZINC000335495245 386615400 /nfs/dbraw/zinc/61/54/00/386615400.db2.gz KAKRLONBZFMKSQ-UHFFFAOYSA-N 2 2 233.315 0.924 20 0 BCADLP Cc1ccc(CCC[NH2+]C[C@H]2C[NH2+]CCO2)cn1 ZINC000415099006 386618076 /nfs/dbraw/zinc/61/80/76/386618076.db2.gz XFSPJXSFBYNHQL-AWEZNQCLSA-N 2 2 249.358 0.901 20 0 BCADLP CN(C)c1ccccc1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415098841 386618496 /nfs/dbraw/zinc/61/84/96/386618496.db2.gz WVSUEICBXUYSFO-ZDUSSCGKSA-N 2 2 249.358 0.831 20 0 BCADLP CCn1cc[nH+]c1CN[C@H]1C[NH2+]CC[C@H]1C ZINC000414924220 386619094 /nfs/dbraw/zinc/61/90/94/386619094.db2.gz ILMQUQONWFDACW-MNOVXSKESA-N 2 2 222.336 0.991 20 0 BCADLP CC[C@@]1(O)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000425928349 386668786 /nfs/dbraw/zinc/66/87/86/386668786.db2.gz LNMJVDZEZOTFDW-LLVKDONJSA-N 2 2 209.293 0.730 20 0 BCADLP CC[C@@]1(O)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000425928349 386668794 /nfs/dbraw/zinc/66/87/94/386668794.db2.gz LNMJVDZEZOTFDW-LLVKDONJSA-N 2 2 209.293 0.730 20 0 BCADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000414822159 386671989 /nfs/dbraw/zinc/67/19/89/386671989.db2.gz MRENSVCVAWEWBS-TUAOUCFPSA-N 3 2 211.353 0.716 20 0 BCADLP Cc1ccc(C[NH2+]C2CC[NH+](C)CC2)c(=O)n1C ZINC000279616071 386710496 /nfs/dbraw/zinc/71/04/96/386710496.db2.gz XUVKMAQWIMYTFN-UHFFFAOYSA-N 2 2 249.358 0.878 20 0 BCADLP C[NH2+]CC[NH2+][C@@H](C)Cc1cccc(OC)n1 ZINC000414837409 386734865 /nfs/dbraw/zinc/73/48/65/386734865.db2.gz XBZVALBQNZGWRP-JTQLQIEISA-N 2 2 223.320 0.830 20 0 BCADLP COC[C@@H](CO)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000279785152 386736807 /nfs/dbraw/zinc/73/68/07/386736807.db2.gz LQJRWNJZTITOHD-SNVBAGLBSA-N 2 2 235.287 0.431 20 0 BCADLP C[N@H+](CCOCC[NH3+])Cc1nccn1C(F)F ZINC000357091657 386714922 /nfs/dbraw/zinc/71/49/22/386714922.db2.gz TYJCIAVVYSQLMH-UHFFFAOYSA-N 2 2 248.277 0.685 20 0 BCADLP C[N@@H+](CCOCC[NH3+])Cc1nccn1C(F)F ZINC000357091657 386714928 /nfs/dbraw/zinc/71/49/28/386714928.db2.gz TYJCIAVVYSQLMH-UHFFFAOYSA-N 2 2 248.277 0.685 20 0 BCADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1CCC1 ZINC000357304568 386757217 /nfs/dbraw/zinc/75/72/17/386757217.db2.gz JZLUUPQDCQSAJW-UHFFFAOYSA-N 2 2 239.363 0.635 20 0 BCADLP CN(C)c1ccc(CNC(=O)C2([NH3+])CC2)c[nH+]1 ZINC000269226894 386764694 /nfs/dbraw/zinc/76/46/94/386764694.db2.gz FJWUBBIMQJSMFU-UHFFFAOYSA-N 2 2 234.303 0.255 20 0 BCADLP CC[C@@H](C)C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000357356385 386768261 /nfs/dbraw/zinc/76/82/61/386768261.db2.gz PTIXXANEUSIQEA-VXGBXAGGSA-N 2 2 241.379 0.962 20 0 BCADLP CC[C@@H](C)C[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000357356385 386768268 /nfs/dbraw/zinc/76/82/68/386768268.db2.gz PTIXXANEUSIQEA-VXGBXAGGSA-N 2 2 241.379 0.962 20 0 BCADLP O=C1NCC[C@@H]1[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269253532 386768645 /nfs/dbraw/zinc/76/86/45/386768645.db2.gz CLUQFIWGGAKRNJ-UWVGGRQHSA-N 2 2 234.303 0.478 20 0 BCADLP O=C1NCC[C@@H]1[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269253532 386768652 /nfs/dbraw/zinc/76/86/52/386768652.db2.gz CLUQFIWGGAKRNJ-UWVGGRQHSA-N 2 2 234.303 0.478 20 0 BCADLP CC[N@H+](C)CC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000192521019 386789636 /nfs/dbraw/zinc/78/96/36/386789636.db2.gz UQWZZTNOZXYYLK-WDEREUQCSA-N 2 2 200.326 0.953 20 0 BCADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000192521019 386789641 /nfs/dbraw/zinc/78/96/41/386789641.db2.gz UQWZZTNOZXYYLK-WDEREUQCSA-N 2 2 200.326 0.953 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000339896088 386775379 /nfs/dbraw/zinc/77/53/79/386775379.db2.gz WJFIGAIGRVQVAX-GFCCVEGCSA-N 2 2 229.368 0.818 20 0 BCADLP CN(CC[NH+](C)C)C(=O)CCc1c[nH+]cn1C ZINC000280069135 386776196 /nfs/dbraw/zinc/77/61/96/386776196.db2.gz XJJRAWYWNVKEQZ-UHFFFAOYSA-N 2 2 238.335 0.373 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1CC(C(C)(C)O)C1)C1CC1 ZINC000357451563 386784114 /nfs/dbraw/zinc/78/41/14/386784114.db2.gz JWKIMBLKZVAFJQ-LBPRGKRZSA-N 2 2 242.363 0.144 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+]1CC(C(C)(C)O)C1)C1CC1 ZINC000357451563 386784116 /nfs/dbraw/zinc/78/41/16/386784116.db2.gz JWKIMBLKZVAFJQ-LBPRGKRZSA-N 2 2 242.363 0.144 20 0 BCADLP C[NH2+]C[C@@H](C)C[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000414844902 386785127 /nfs/dbraw/zinc/78/51/27/386785127.db2.gz RTSXHEXXRNELAE-SNVBAGLBSA-N 2 2 239.367 0.978 20 0 BCADLP C[N@H+](C[C@@H]1CCOC1)C1CC[NH+](CCO)CC1 ZINC000357653061 386821915 /nfs/dbraw/zinc/82/19/15/386821915.db2.gz WGCZDLSFSWKHMU-LBPRGKRZSA-N 2 2 242.363 0.411 20 0 BCADLP C[N@@H+](C[C@@H]1CCOC1)C1CC[NH+](CCO)CC1 ZINC000357653061 386821919 /nfs/dbraw/zinc/82/19/19/386821919.db2.gz WGCZDLSFSWKHMU-LBPRGKRZSA-N 2 2 242.363 0.411 20 0 BCADLP C[C@@H]1OCC[C@H]1[N@H+](CCO)CCn1cc[nH+]c1 ZINC000330103646 386828824 /nfs/dbraw/zinc/82/88/24/386828824.db2.gz GLDVUWFRKNHXAL-NWDGAFQWSA-N 2 2 239.319 0.355 20 0 BCADLP C[C@@H]1OCC[C@H]1[N@@H+](CCO)CCn1cc[nH+]c1 ZINC000330103646 386828828 /nfs/dbraw/zinc/82/88/28/386828828.db2.gz GLDVUWFRKNHXAL-NWDGAFQWSA-N 2 2 239.319 0.355 20 0 BCADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@](C)(O)C2)n1C ZINC000425340983 386843503 /nfs/dbraw/zinc/84/35/03/386843503.db2.gz WQBRAHNKVNGYES-LBPRGKRZSA-N 2 2 238.335 0.443 20 0 BCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@](C)(O)C2)n1C ZINC000425340983 386843506 /nfs/dbraw/zinc/84/35/06/386843506.db2.gz WQBRAHNKVNGYES-LBPRGKRZSA-N 2 2 238.335 0.443 20 0 BCADLP C[NH+](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000330707191 386860885 /nfs/dbraw/zinc/86/08/85/386860885.db2.gz MJEJEEXAYZPDSZ-NSHDSACASA-N 2 2 236.319 0.505 20 0 BCADLP C[NH+](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000330707191 386860893 /nfs/dbraw/zinc/86/08/93/386860893.db2.gz MJEJEEXAYZPDSZ-NSHDSACASA-N 2 2 236.319 0.505 20 0 BCADLP Cc1cc(NC(=O)N[C@H](C)[C@@H](C)[NH3+])cc[nH+]1 ZINC000334826825 386862324 /nfs/dbraw/zinc/86/23/24/386862324.db2.gz XHYXNMULGNTLBI-RKDXNWHRSA-N 2 2 222.292 0.669 20 0 BCADLP Cc1cc(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc[nH+]1 ZINC000334826798 386863465 /nfs/dbraw/zinc/86/34/65/386863465.db2.gz WQJKQCNJNGBDRL-SKDRFNHKSA-N 2 2 248.330 0.931 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000414940081 386877353 /nfs/dbraw/zinc/87/73/53/386877353.db2.gz XEKYUILGFXIVMC-ZWNOBZJWSA-N 2 2 247.342 0.873 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000358077508 386888854 /nfs/dbraw/zinc/88/88/54/386888854.db2.gz BRGQAMPNKJOZQW-NQBHXWOUSA-N 2 2 249.362 0.739 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000358077508 386888858 /nfs/dbraw/zinc/88/88/58/386888858.db2.gz BRGQAMPNKJOZQW-NQBHXWOUSA-N 2 2 249.362 0.739 20 0 BCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cnccn1 ZINC000330881646 386908537 /nfs/dbraw/zinc/90/85/37/386908537.db2.gz NVLJSYRZOPHVCG-PWSUYJOCSA-N 2 2 236.319 0.194 20 0 BCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cnccn1 ZINC000330881646 386908543 /nfs/dbraw/zinc/90/85/43/386908543.db2.gz NVLJSYRZOPHVCG-PWSUYJOCSA-N 2 2 236.319 0.194 20 0 BCADLP [NH3+]CCC[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000334860425 386912999 /nfs/dbraw/zinc/91/29/99/386912999.db2.gz SJAQZVMVNQXODF-VHSXEESVSA-N 2 2 211.309 0.078 20 0 BCADLP [NH3+]CCC[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000334860425 386913003 /nfs/dbraw/zinc/91/30/03/386913003.db2.gz SJAQZVMVNQXODF-VHSXEESVSA-N 2 2 211.309 0.078 20 0 BCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccnc1 ZINC000358259808 386921619 /nfs/dbraw/zinc/92/16/19/386921619.db2.gz UYYHMJMZPWBIBQ-AAEUAGOBSA-N 2 2 235.331 0.799 20 0 BCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccnc1 ZINC000358259808 386921625 /nfs/dbraw/zinc/92/16/25/386921625.db2.gz UYYHMJMZPWBIBQ-AAEUAGOBSA-N 2 2 235.331 0.799 20 0 BCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccncc1 ZINC000358264136 386923429 /nfs/dbraw/zinc/92/34/29/386923429.db2.gz YJBOPYNPNHCHFC-YPMHNXCESA-N 2 2 235.331 0.799 20 0 BCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccncc1 ZINC000358264136 386923435 /nfs/dbraw/zinc/92/34/35/386923435.db2.gz YJBOPYNPNHCHFC-YPMHNXCESA-N 2 2 235.331 0.799 20 0 BCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC1 ZINC000331946382 386929098 /nfs/dbraw/zinc/92/90/98/386929098.db2.gz YHCMRIKRJLTVAI-NXEZZACHSA-N 2 2 211.309 0.125 20 0 BCADLP Cc1n[nH]cc1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000334872199 386932494 /nfs/dbraw/zinc/93/24/94/386932494.db2.gz BBKLDBNBGXFXQI-JTQLQIEISA-N 2 2 208.309 0.948 20 0 BCADLP C[NH2+][C@H]1CC[N@H+](CCC(=O)Nc2cccnc2)C1 ZINC000358326779 386934671 /nfs/dbraw/zinc/93/46/71/386934671.db2.gz QVALYWXMRLJHDQ-LBPRGKRZSA-N 2 2 248.330 0.704 20 0 BCADLP C[NH2+][C@H]1CC[N@@H+](CCC(=O)Nc2cccnc2)C1 ZINC000358326779 386934678 /nfs/dbraw/zinc/93/46/78/386934678.db2.gz QVALYWXMRLJHDQ-LBPRGKRZSA-N 2 2 248.330 0.704 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645468982 386935727 /nfs/dbraw/zinc/93/57/27/386935727.db2.gz FZRWPULTJXZRTL-UWVGGRQHSA-N 2 2 236.319 0.386 20 0 BCADLP C[NH+](C)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000330996225 386943108 /nfs/dbraw/zinc/94/31/08/386943108.db2.gz OQYPMSAZARCYAI-UHFFFAOYSA-N 2 2 210.281 0.020 20 0 BCADLP C[C@H]1CC[N@H+](Cc2cc[nH]n2)C[C@H]1C[NH3+] ZINC000334818303 386945609 /nfs/dbraw/zinc/94/56/09/386945609.db2.gz CNHHIUJEORMNER-VHSXEESVSA-N 2 2 208.309 0.826 20 0 BCADLP C[C@H]1CC[N@@H+](Cc2cc[nH]n2)C[C@H]1C[NH3+] ZINC000334818303 386945611 /nfs/dbraw/zinc/94/56/11/386945611.db2.gz CNHHIUJEORMNER-VHSXEESVSA-N 2 2 208.309 0.826 20 0 BCADLP C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000358412116 386952279 /nfs/dbraw/zinc/95/22/79/386952279.db2.gz XZCNQTLZORUISN-WZRBSPASSA-N 2 2 236.363 0.891 20 0 BCADLP C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000358412116 386952283 /nfs/dbraw/zinc/95/22/83/386952283.db2.gz XZCNQTLZORUISN-WZRBSPASSA-N 2 2 236.363 0.891 20 0 BCADLP Cc1cc(NC(=O)N2CC[NH2+]C[C@H]2C)cc[nH+]1 ZINC000334826116 386959081 /nfs/dbraw/zinc/95/90/81/386959081.db2.gz SPQBLUDNUFVFDZ-SNVBAGLBSA-N 2 2 234.303 0.638 20 0 BCADLP C[NH2+][C@H]1CCN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000334825980 386959212 /nfs/dbraw/zinc/95/92/12/386959212.db2.gz QSCKZMFVMLYKOB-NSHDSACASA-N 2 2 234.303 0.638 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)CC)C[C@H](C)O1 ZINC000518995659 386977739 /nfs/dbraw/zinc/97/77/39/386977739.db2.gz DXLLQAJZMDKSAM-RWMBFGLXSA-N 2 2 244.379 0.798 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)CC)C[C@H](C)O1 ZINC000518995659 386977741 /nfs/dbraw/zinc/97/77/41/386977741.db2.gz DXLLQAJZMDKSAM-RWMBFGLXSA-N 2 2 244.379 0.798 20 0 BCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)CC)C[C@H](C)O1 ZINC000518995659 386977744 /nfs/dbraw/zinc/97/77/44/386977744.db2.gz DXLLQAJZMDKSAM-RWMBFGLXSA-N 2 2 244.379 0.798 20 0 BCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)CC)C[C@H](C)O1 ZINC000518995659 386977746 /nfs/dbraw/zinc/97/77/46/386977746.db2.gz DXLLQAJZMDKSAM-RWMBFGLXSA-N 2 2 244.379 0.798 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000341896919 386995325 /nfs/dbraw/zinc/99/53/25/386995325.db2.gz KZKMZCIIEHIYFC-WDEREUQCSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000341896919 386995329 /nfs/dbraw/zinc/99/53/29/386995329.db2.gz KZKMZCIIEHIYFC-WDEREUQCSA-N 2 2 239.363 0.857 20 0 BCADLP COC(=O)COC[C@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000418117858 387054749 /nfs/dbraw/zinc/05/47/49/387054749.db2.gz UNZCADJAJWQJMP-JTQLQIEISA-N 2 2 244.335 0.248 20 0 BCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccnn1C ZINC000331349969 387018998 /nfs/dbraw/zinc/01/89/98/387018998.db2.gz VFDRRUIYSRCXSC-PWSUYJOCSA-N 2 2 238.335 0.137 20 0 BCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccnn1C ZINC000331349969 387019002 /nfs/dbraw/zinc/01/90/02/387019002.db2.gz VFDRRUIYSRCXSC-PWSUYJOCSA-N 2 2 238.335 0.137 20 0 BCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccnn1C ZINC000331349968 387019384 /nfs/dbraw/zinc/01/93/84/387019384.db2.gz VFDRRUIYSRCXSC-JQWIXIFHSA-N 2 2 238.335 0.137 20 0 BCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccnn1C ZINC000331349968 387019387 /nfs/dbraw/zinc/01/93/87/387019387.db2.gz VFDRRUIYSRCXSC-JQWIXIFHSA-N 2 2 238.335 0.137 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333176107 387021365 /nfs/dbraw/zinc/02/13/65/387021365.db2.gz ORVXXRMYCUQNEM-SNVBAGLBSA-N 2 2 234.303 0.685 20 0 BCADLP C[C@H](CO)[N@@H+]1CCCN(Cc2c[nH]c[nH+]2)CC1 ZINC000368966022 387022894 /nfs/dbraw/zinc/02/28/94/387022894.db2.gz MYVYDJYKAKQGPK-LLVKDONJSA-N 2 2 238.335 0.298 20 0 BCADLP C[C@H](CO)[N@H+]1CCCN(Cc2c[nH]c[nH+]2)CC1 ZINC000368966022 387022897 /nfs/dbraw/zinc/02/28/97/387022897.db2.gz MYVYDJYKAKQGPK-LLVKDONJSA-N 2 2 238.335 0.298 20 0 BCADLP C[C@H](CO)[N@@H+]1CCCN(Cc2c[nH+]c[nH]2)CC1 ZINC000368966022 387022901 /nfs/dbraw/zinc/02/29/01/387022901.db2.gz MYVYDJYKAKQGPK-LLVKDONJSA-N 2 2 238.335 0.298 20 0 BCADLP C[C@H](CO)[N@H+]1CCCN(Cc2c[nH+]c[nH]2)CC1 ZINC000368966022 387022904 /nfs/dbraw/zinc/02/29/04/387022904.db2.gz MYVYDJYKAKQGPK-LLVKDONJSA-N 2 2 238.335 0.298 20 0 BCADLP CN(CC1CC1)C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359274803 387076608 /nfs/dbraw/zinc/07/66/08/387076608.db2.gz KEGPELMESVAXLV-RYUDHWBXSA-N 2 2 237.347 0.006 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000070854764 387078334 /nfs/dbraw/zinc/07/83/34/387078334.db2.gz GWGSBZFFYJPZQG-SECBINFHSA-N 2 2 222.292 0.178 20 0 BCADLP COCC[C@](C)(O)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336765514 387094016 /nfs/dbraw/zinc/09/40/16/387094016.db2.gz OCUBEPXFTQRVOB-TUAOUCFPSA-N 2 2 230.352 0.314 20 0 BCADLP COCC[C@](C)(O)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336765514 387094019 /nfs/dbraw/zinc/09/40/19/387094019.db2.gz OCUBEPXFTQRVOB-TUAOUCFPSA-N 2 2 230.352 0.314 20 0 BCADLP COC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335011201 387106333 /nfs/dbraw/zinc/10/63/33/387106333.db2.gz UVWQENOUVPKMJP-PWSUYJOCSA-N 2 2 226.320 0.623 20 0 BCADLP COC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335011201 387106338 /nfs/dbraw/zinc/10/63/38/387106338.db2.gz UVWQENOUVPKMJP-PWSUYJOCSA-N 2 2 226.320 0.623 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1ccncc1 ZINC000068802891 387107665 /nfs/dbraw/zinc/10/76/65/387107665.db2.gz NBRIZCJVDWSMLK-CYBMUJFWSA-N 2 2 234.347 0.417 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1ccncc1 ZINC000068802891 387107669 /nfs/dbraw/zinc/10/76/69/387107669.db2.gz NBRIZCJVDWSMLK-CYBMUJFWSA-N 2 2 234.347 0.417 20 0 BCADLP CC(C)(C)[C@H](O)C[NH2+][C@H]1CCC[NH2+]C1 ZINC000324419747 387112172 /nfs/dbraw/zinc/11/21/72/387112172.db2.gz NATDIVUVCZBUFL-VHSXEESVSA-N 2 2 200.326 0.735 20 0 BCADLP COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000359600543 387132522 /nfs/dbraw/zinc/13/25/22/387132522.db2.gz REGKEFLRHCYNAI-JQWIXIFHSA-N 2 2 240.347 0.822 20 0 BCADLP COC(=O)[C@H](C1CC1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000359600543 387132528 /nfs/dbraw/zinc/13/25/28/387132528.db2.gz REGKEFLRHCYNAI-JQWIXIFHSA-N 2 2 240.347 0.822 20 0 BCADLP CCC[NH2+]CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423312652 387151118 /nfs/dbraw/zinc/15/11/18/387151118.db2.gz SITSTACOWOVAAB-NWDGAFQWSA-N 3 2 213.369 0.964 20 0 BCADLP COCC[NH2+]CC[NH2+][C@H](C)[C@H](C)OC ZINC000423316582 387157107 /nfs/dbraw/zinc/15/71/07/387157107.db2.gz ADIANQBJDIFTBY-ZJUUUORDSA-N 2 2 204.314 0.235 20 0 BCADLP COCC[C@](C)(O)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000571821099 387177226 /nfs/dbraw/zinc/17/72/26/387177226.db2.gz JUJOEEISTLWZSD-LBPRGKRZSA-N 2 2 241.335 0.606 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCC[NH3+] ZINC000423333035 387177601 /nfs/dbraw/zinc/17/76/01/387177601.db2.gz NTPUJCPJCZFXHC-JQWIXIFHSA-N 3 2 211.353 0.798 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCC[NH3+] ZINC000423333035 387177603 /nfs/dbraw/zinc/17/76/03/387177603.db2.gz NTPUJCPJCZFXHC-JQWIXIFHSA-N 3 2 211.353 0.798 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1NCC(F)(F)C[NH3+] ZINC000423338717 387187390 /nfs/dbraw/zinc/18/73/90/387187390.db2.gz ILEPLAWHHBSIFI-SFYZADRCSA-N 2 2 207.268 0.120 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1NCC(F)(F)C[NH3+] ZINC000423338717 387187392 /nfs/dbraw/zinc/18/73/92/387187392.db2.gz ILEPLAWHHBSIFI-SFYZADRCSA-N 2 2 207.268 0.120 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC=C(C)C1 ZINC000565161654 387135099 /nfs/dbraw/zinc/13/50/99/387135099.db2.gz HLMGSQZVHFPCBB-CYBMUJFWSA-N 2 2 242.363 0.578 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC=C(C)C1 ZINC000565161654 387135103 /nfs/dbraw/zinc/13/51/03/387135103.db2.gz HLMGSQZVHFPCBB-CYBMUJFWSA-N 2 2 242.363 0.578 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC=C(C)C1 ZINC000565161654 387135108 /nfs/dbraw/zinc/13/51/08/387135108.db2.gz HLMGSQZVHFPCBB-CYBMUJFWSA-N 2 2 242.363 0.578 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC=C(C)C1 ZINC000565161654 387135112 /nfs/dbraw/zinc/13/51/12/387135112.db2.gz HLMGSQZVHFPCBB-CYBMUJFWSA-N 2 2 242.363 0.578 20 0 BCADLP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000423352263 387203922 /nfs/dbraw/zinc/20/39/22/387203922.db2.gz AENIPDFTCZXPMM-UTUOFQBUSA-N 3 2 211.353 0.859 20 0 BCADLP CO[C@@H](C)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000360002321 387206913 /nfs/dbraw/zinc/20/69/13/387206913.db2.gz DZQHPEILMFFDEK-NSHDSACASA-N 2 2 230.352 0.410 20 0 BCADLP CO[C@@H](C)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000360002321 387206920 /nfs/dbraw/zinc/20/69/20/387206920.db2.gz DZQHPEILMFFDEK-NSHDSACASA-N 2 2 230.352 0.410 20 0 BCADLP NC(=O)CC[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000571994247 387217318 /nfs/dbraw/zinc/21/73/18/387217318.db2.gz NZTHDYHTWYBVFK-UHFFFAOYSA-N 2 2 236.319 0.227 20 0 BCADLP Cc1noc([C@H](C)[N@H+](C)CCOCC[NH3+])n1 ZINC000572059959 387224936 /nfs/dbraw/zinc/22/49/36/387224936.db2.gz HYMSEGCGFVVFKG-QMMMGPOBSA-N 2 2 228.296 0.346 20 0 BCADLP Cc1noc([C@H](C)[N@@H+](C)CCOCC[NH3+])n1 ZINC000572059959 387224941 /nfs/dbraw/zinc/22/49/41/387224941.db2.gz HYMSEGCGFVVFKG-QMMMGPOBSA-N 2 2 228.296 0.346 20 0 BCADLP CCO[C@@H]1C[C@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000572135879 387246089 /nfs/dbraw/zinc/24/60/89/387246089.db2.gz ORNIQNQPXGWMCU-GHMZBOCLSA-N 2 2 209.293 0.996 20 0 BCADLP CCO[C@@H]1C[C@@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000572135882 387246745 /nfs/dbraw/zinc/24/67/45/387246745.db2.gz ORNIQNQPXGWMCU-WDEREUQCSA-N 2 2 209.293 0.996 20 0 BCADLP C[C@@H](C[NH3+])CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000572136635 387248607 /nfs/dbraw/zinc/24/86/07/387248607.db2.gz JFRODCWGOPXFKC-QMMMGPOBSA-N 2 2 225.296 0.146 20 0 BCADLP C[C@@H](C[NH3+])CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000572136635 387248610 /nfs/dbraw/zinc/24/86/10/387248610.db2.gz JFRODCWGOPXFKC-QMMMGPOBSA-N 2 2 225.296 0.146 20 0 BCADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]2CCC[C@@H]21 ZINC000423420052 387248692 /nfs/dbraw/zinc/24/86/92/387248692.db2.gz AQZUNBCJMHXBHN-BSOLPCOYSA-N 3 2 235.375 0.667 20 0 BCADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]2CCC[C@@H]21 ZINC000423420052 387248694 /nfs/dbraw/zinc/24/86/94/387248694.db2.gz AQZUNBCJMHXBHN-BSOLPCOYSA-N 3 2 235.375 0.667 20 0 BCADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000353405604 387194649 /nfs/dbraw/zinc/19/46/49/387194649.db2.gz VYBRZFYJBABHMW-RYUDHWBXSA-N 2 2 237.351 0.741 20 0 BCADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000353405604 387194655 /nfs/dbraw/zinc/19/46/55/387194655.db2.gz VYBRZFYJBABHMW-RYUDHWBXSA-N 2 2 237.351 0.741 20 0 BCADLP CC[C@@H]1C[C@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000571896987 387196068 /nfs/dbraw/zinc/19/60/68/387196068.db2.gz ATPCDKVIVYZDRI-GMTAPVOTSA-N 2 2 240.351 0.069 20 0 BCADLP CC[C@@H]1C[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000571896987 387196071 /nfs/dbraw/zinc/19/60/71/387196071.db2.gz ATPCDKVIVYZDRI-GMTAPVOTSA-N 2 2 240.351 0.069 20 0 BCADLP CC[N@H+](C)CC[NH2+][C@H](C)C(C)(C)n1cncn1 ZINC000353423910 387200060 /nfs/dbraw/zinc/20/00/60/387200060.db2.gz FUPOKKCDQKJSIF-LLVKDONJSA-N 2 2 239.367 0.943 20 0 BCADLP CC[N@@H+](C)CC[NH2+][C@H](C)C(C)(C)n1cncn1 ZINC000353423910 387200064 /nfs/dbraw/zinc/20/00/64/387200064.db2.gz FUPOKKCDQKJSIF-LLVKDONJSA-N 2 2 239.367 0.943 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000423348626 387200265 /nfs/dbraw/zinc/20/02/65/387200265.db2.gz UOOWMPGTBVPLLV-YPMHNXCESA-N 2 2 223.364 0.836 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000423348626 387200271 /nfs/dbraw/zinc/20/02/71/387200271.db2.gz UOOWMPGTBVPLLV-YPMHNXCESA-N 3 2 223.364 0.836 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)n1C ZINC000514677942 387314121 /nfs/dbraw/zinc/31/41/21/387314121.db2.gz LWFIWEYXVMCDDJ-WDEREUQCSA-N 2 2 223.320 0.978 20 0 BCADLP Cc1cnn(C)c1C[NH2+]C1CC[NH+](C)CC1 ZINC000285448983 387265438 /nfs/dbraw/zinc/26/54/38/387265438.db2.gz MALQKDBXKRCWLX-UHFFFAOYSA-N 2 2 222.336 0.912 20 0 BCADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C1CSC1 ZINC000648639696 387266766 /nfs/dbraw/zinc/26/67/66/387266766.db2.gz ZLWIXFGVKCAORA-NSHDSACASA-N 2 2 230.377 0.538 20 0 BCADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C1CSC1 ZINC000648639696 387266768 /nfs/dbraw/zinc/26/67/68/387266768.db2.gz ZLWIXFGVKCAORA-NSHDSACASA-N 2 2 230.377 0.538 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC000423388164 387273877 /nfs/dbraw/zinc/27/38/77/387273877.db2.gz UBJPURFSKPPYBO-DDHJBXDOSA-N 3 2 211.353 0.715 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCOC2)C[N@@H+]1C1CC1 ZINC000231632680 387277612 /nfs/dbraw/zinc/27/76/12/387277612.db2.gz KFHWNQPLMHVGTM-MDZLAQPJSA-N 2 2 240.347 0.353 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCOC2)C[N@H+]1C1CC1 ZINC000231632680 387277616 /nfs/dbraw/zinc/27/76/16/387277616.db2.gz KFHWNQPLMHVGTM-MDZLAQPJSA-N 2 2 240.347 0.353 20 0 BCADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423393902 387279836 /nfs/dbraw/zinc/27/98/36/387279836.db2.gz ROLDASGNJPYMMW-QJPTWQEYSA-N 3 2 213.369 0.962 20 0 BCADLP CC/C=C\CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000572227737 387280813 /nfs/dbraw/zinc/28/08/13/387280813.db2.gz VTPUVXPBJLNRRF-WYGGZMRJSA-N 2 2 240.351 0.237 20 0 BCADLP Cc1occc1C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000321617168 387283869 /nfs/dbraw/zinc/28/38/69/387283869.db2.gz ZWUKZFJCEAKKAP-ZDUSSCGKSA-N 2 2 237.347 0.923 20 0 BCADLP Cc1occc1C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000321617168 387283874 /nfs/dbraw/zinc/28/38/74/387283874.db2.gz ZWUKZFJCEAKKAP-ZDUSSCGKSA-N 2 2 237.347 0.923 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000514795517 387291795 /nfs/dbraw/zinc/29/17/95/387291795.db2.gz VIZMHCACOZEQJV-AVGNSLFASA-N 2 2 244.379 0.798 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000514795517 387291798 /nfs/dbraw/zinc/29/17/98/387291798.db2.gz VIZMHCACOZEQJV-AVGNSLFASA-N 2 2 244.379 0.798 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000354291047 387355690 /nfs/dbraw/zinc/35/56/90/387355690.db2.gz ZVJKJMYBDMKWTB-VIFPVBQESA-N 2 2 232.287 0.688 20 0 BCADLP C[NH+](C)CCCCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360836524 387355973 /nfs/dbraw/zinc/35/59/73/387355973.db2.gz WYAQIMIODQSTAR-VIFPVBQESA-N 2 2 249.305 0.442 20 0 BCADLP CS[C@H](C)CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000515302188 387360636 /nfs/dbraw/zinc/36/06/36/387360636.db2.gz LRTJDKOURNKXIT-ZJUUUORDSA-N 2 2 245.392 0.229 20 0 BCADLP CS[C@H](C)CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000515302188 387360640 /nfs/dbraw/zinc/36/06/40/387360640.db2.gz LRTJDKOURNKXIT-ZJUUUORDSA-N 2 2 245.392 0.229 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538470 387363124 /nfs/dbraw/zinc/36/31/24/387363124.db2.gz MZIJSXGMIHVGBM-DGCLKSJQSA-N 3 2 223.364 0.836 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538470 387363130 /nfs/dbraw/zinc/36/31/30/387363130.db2.gz MZIJSXGMIHVGBM-DGCLKSJQSA-N 3 2 223.364 0.836 20 0 BCADLP C[C@@H]([NH2+]CCC[NH2+]C1CC1)[C@H]1CCC[NH2+]1 ZINC000423555958 387375674 /nfs/dbraw/zinc/37/56/74/387375674.db2.gz MEAROCJILNVBDF-ZYHUDNBSSA-N 3 2 211.353 0.859 20 0 BCADLP CO[C@H](C[NH3+])C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000515416918 387380019 /nfs/dbraw/zinc/38/00/19/387380019.db2.gz SHPGBDJXJOWZGW-LLVKDONJSA-N 2 2 237.303 0.288 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423430664 387325964 /nfs/dbraw/zinc/32/59/64/387325964.db2.gz IDVGWGDLUBRWJX-YXCITZCRSA-N 3 2 237.391 0.914 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423430664 387325967 /nfs/dbraw/zinc/32/59/67/387325967.db2.gz IDVGWGDLUBRWJX-YXCITZCRSA-N 3 2 237.391 0.914 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423430663 387326588 /nfs/dbraw/zinc/32/65/88/387326588.db2.gz IDVGWGDLUBRWJX-SCUASFONSA-N 3 2 237.391 0.914 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423430663 387326595 /nfs/dbraw/zinc/32/65/95/387326595.db2.gz IDVGWGDLUBRWJX-SCUASFONSA-N 3 2 237.391 0.914 20 0 BCADLP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000515072443 387332434 /nfs/dbraw/zinc/33/24/34/387332434.db2.gz JWPGMIGJFNFFGX-VHSXEESVSA-N 2 2 236.319 0.724 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000336512933 387336273 /nfs/dbraw/zinc/33/62/73/387336273.db2.gz WPPBHHDSKUVFFK-LLVKDONJSA-N 2 2 239.363 0.811 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000336512933 387336278 /nfs/dbraw/zinc/33/62/78/387336278.db2.gz WPPBHHDSKUVFFK-LLVKDONJSA-N 2 2 239.363 0.811 20 0 BCADLP CC1CC(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000515143066 387340073 /nfs/dbraw/zinc/34/00/73/387340073.db2.gz HTNXNLLQMIZUJA-ILDUYXDCSA-N 2 2 240.351 0.069 20 0 BCADLP CC1CC(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000515143066 387340083 /nfs/dbraw/zinc/34/00/83/387340083.db2.gz HTNXNLLQMIZUJA-ILDUYXDCSA-N 2 2 240.351 0.069 20 0 BCADLP COC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)C(C)C ZINC000423511670 387348086 /nfs/dbraw/zinc/34/80/86/387348086.db2.gz ATNGJFQXCIZSHH-WDEREUQCSA-N 2 2 216.325 0.235 20 0 BCADLP COC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)C(C)C ZINC000423511667 387348876 /nfs/dbraw/zinc/34/88/76/387348876.db2.gz ATNGJFQXCIZSHH-MNOVXSKESA-N 2 2 216.325 0.235 20 0 BCADLP Cc1cncc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)c1 ZINC000423517088 387350739 /nfs/dbraw/zinc/35/07/39/387350739.db2.gz NYRASLOKDHJNIF-GXTWGEPZSA-N 2 2 248.374 0.944 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)C(C)(C)C ZINC000423514647 387350929 /nfs/dbraw/zinc/35/09/29/387350929.db2.gz DPDRNOLZWHHQHR-UWVGGRQHSA-N 2 2 200.326 0.999 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1cccc(O)c1 ZINC000423522717 387353826 /nfs/dbraw/zinc/35/38/26/387353826.db2.gz RMJNZVCQPQGISF-WCQYABFASA-N 2 2 249.358 0.946 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC000643469801 387428754 /nfs/dbraw/zinc/42/87/54/387428754.db2.gz UBIOUUHGUKIVPP-CMPLNLGQSA-N 2 2 239.363 0.633 20 0 BCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H]2COC[C@@H]2O)C1 ZINC000361307465 387436148 /nfs/dbraw/zinc/43/61/48/387436148.db2.gz GGPJAFCQFYPXSX-XQQFMLRXSA-N 2 2 242.363 0.410 20 0 BCADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2COC[C@@H]2O)C1 ZINC000361307465 387436151 /nfs/dbraw/zinc/43/61/51/387436151.db2.gz GGPJAFCQFYPXSX-XQQFMLRXSA-N 2 2 242.363 0.410 20 0 BCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H]2COC[C@H]2O)C1 ZINC000361307464 387436298 /nfs/dbraw/zinc/43/62/98/387436298.db2.gz GGPJAFCQFYPXSX-RWMBFGLXSA-N 2 2 242.363 0.410 20 0 BCADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2COC[C@H]2O)C1 ZINC000361307464 387436301 /nfs/dbraw/zinc/43/63/01/387436301.db2.gz GGPJAFCQFYPXSX-RWMBFGLXSA-N 2 2 242.363 0.410 20 0 BCADLP C[NH+](C)CC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000374371945 387448303 /nfs/dbraw/zinc/44/83/03/387448303.db2.gz BNURHNNHURFXPP-GFCCVEGCSA-N 2 2 248.330 0.116 20 0 BCADLP CC[C@H](O)CC[NH2+]Cc1c[nH+]c(C)n1C ZINC000515500324 387391042 /nfs/dbraw/zinc/39/10/42/387391042.db2.gz KTGLSZFHYZQNPF-NSHDSACASA-N 2 2 211.309 0.979 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H](C[NH3+])C2CCCC2)c[nH+]1 ZINC000423969076 387460289 /nfs/dbraw/zinc/46/02/89/387460289.db2.gz VNJFAUJLAXPPNO-JTQLQIEISA-N 2 2 236.319 0.965 20 0 BCADLP CC(C)n1ncnc1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000313249344 387403260 /nfs/dbraw/zinc/40/32/60/387403260.db2.gz HVLINCRBNJFACB-UHFFFAOYSA-N 2 2 248.334 0.925 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC(C)(CCOC)C1 ZINC000514680528 387543333 /nfs/dbraw/zinc/54/33/33/387543333.db2.gz ZFYKOHDKGLJTPW-GFCCVEGCSA-N 2 2 244.379 0.657 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)(CCOC)C1 ZINC000514680528 387543337 /nfs/dbraw/zinc/54/33/37/387543337.db2.gz ZFYKOHDKGLJTPW-GFCCVEGCSA-N 2 2 244.379 0.657 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1COC(C)(C)C1 ZINC000396864584 387508163 /nfs/dbraw/zinc/50/81/63/387508163.db2.gz SYKWFFLZSDBPJH-RYUDHWBXSA-N 2 2 241.379 0.389 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1COC(C)(C)C1 ZINC000396864584 387508168 /nfs/dbraw/zinc/50/81/68/387508168.db2.gz SYKWFFLZSDBPJH-RYUDHWBXSA-N 2 2 241.379 0.389 20 0 BCADLP C[C@](C[NH3+])([NH2+]CC(=O)NC1CCCC1)C1CC1 ZINC000430556832 387628449 /nfs/dbraw/zinc/62/84/49/387628449.db2.gz ZUXMYSVPJBBZFZ-CYBMUJFWSA-N 2 2 239.363 0.762 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000375935227 387595211 /nfs/dbraw/zinc/59/52/11/387595211.db2.gz VEORQNLHONWFNW-RYUDHWBXSA-N 2 2 248.330 0.484 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000375935224 387595418 /nfs/dbraw/zinc/59/54/18/387595418.db2.gz VEORQNLHONWFNW-NWDGAFQWSA-N 2 2 248.330 0.484 20 0 BCADLP Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H](C)C[NH3+])C2 ZINC000375977557 387599225 /nfs/dbraw/zinc/59/92/25/387599225.db2.gz YKHDCBMZAFVGRI-WPRPVWTQSA-N 2 2 236.319 0.217 20 0 BCADLP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@H](C)C[NH3+])C2 ZINC000375977554 387599484 /nfs/dbraw/zinc/59/94/84/387599484.db2.gz YKHDCBMZAFVGRI-PSASIEDQSA-N 2 2 236.319 0.217 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430581423 387629154 /nfs/dbraw/zinc/62/91/54/387629154.db2.gz IYYYQCQZONCNJS-GXFFZTMASA-N 2 2 241.379 0.864 20 0 BCADLP C[NH2+]CCC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422631772 387610114 /nfs/dbraw/zinc/61/01/14/387610114.db2.gz FXICPZMPNUTUFC-WOPDTQHZSA-N 3 2 213.369 0.901 20 0 BCADLP C[NH2+]CCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422631772 387610117 /nfs/dbraw/zinc/61/01/17/387610117.db2.gz FXICPZMPNUTUFC-WOPDTQHZSA-N 3 2 213.369 0.901 20 0 BCADLP CC[C@H](C)NC(=O)CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422709688 387622311 /nfs/dbraw/zinc/62/23/11/387622311.db2.gz ZOXWFIXGRLLFOT-SRVKXCTJSA-N 2 2 241.379 0.879 20 0 BCADLP CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000422708576 387622548 /nfs/dbraw/zinc/62/25/48/387622548.db2.gz JGLLISICEUFOSN-ZDEQEGDKSA-N 2 2 244.379 0.750 20 0 BCADLP C[C@@H](CO)[N@@H+]1CCCN(Cc2[nH]cc[nH+]2)CC1 ZINC000375498347 387546572 /nfs/dbraw/zinc/54/65/72/387546572.db2.gz RWYVOLBRWPTMCW-NSHDSACASA-N 2 2 238.335 0.298 20 0 BCADLP C[C@@H](CO)[N@H+]1CCCN(Cc2[nH]cc[nH+]2)CC1 ZINC000375498347 387546575 /nfs/dbraw/zinc/54/65/75/387546575.db2.gz RWYVOLBRWPTMCW-NSHDSACASA-N 2 2 238.335 0.298 20 0 BCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCOC[C@H](O)C1 ZINC000399859721 387574366 /nfs/dbraw/zinc/57/43/66/387574366.db2.gz LJHZFUKDDBSSFL-QWHCGFSZSA-N 2 2 242.363 0.554 20 0 BCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCOC[C@H](O)C1 ZINC000399859721 387574371 /nfs/dbraw/zinc/57/43/71/387574371.db2.gz LJHZFUKDDBSSFL-QWHCGFSZSA-N 2 2 242.363 0.554 20 0 BCADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCOC[C@H](O)C1 ZINC000399859721 387574373 /nfs/dbraw/zinc/57/43/73/387574373.db2.gz LJHZFUKDDBSSFL-QWHCGFSZSA-N 2 2 242.363 0.554 20 0 BCADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCOC[C@H](O)C1 ZINC000399859721 387574376 /nfs/dbraw/zinc/57/43/76/387574376.db2.gz LJHZFUKDDBSSFL-QWHCGFSZSA-N 2 2 242.363 0.554 20 0 BCADLP CC(C)[N@H+](CCOCCO)CCn1cc[nH+]c1 ZINC000283679621 387576682 /nfs/dbraw/zinc/57/66/82/387576682.db2.gz HFXMRDLQQIMZHW-UHFFFAOYSA-N 2 2 241.335 0.602 20 0 BCADLP CC(C)[N@@H+](CCOCCO)CCn1cc[nH+]c1 ZINC000283679621 387576685 /nfs/dbraw/zinc/57/66/85/387576685.db2.gz HFXMRDLQQIMZHW-UHFFFAOYSA-N 2 2 241.335 0.602 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCN1CCOC[C@@H]1C ZINC000422718870 387630165 /nfs/dbraw/zinc/63/01/65/387630165.db2.gz QIQPTIXJJWYIGS-AGIUHOORSA-N 2 2 241.379 0.295 20 0 BCADLP O=C([C@@H]1CC[NH2+]C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000430677791 387638566 /nfs/dbraw/zinc/63/85/66/387638566.db2.gz HBNYSSGCGZBIBN-GHMZBOCLSA-N 2 2 248.330 0.725 20 0 BCADLP Cc1ccc(NC(=O)COC2C[NH2+]C2)c(C)[nH+]1 ZINC000430704137 387642787 /nfs/dbraw/zinc/64/27/87/387642787.db2.gz WRBFNUIDJRPSNO-UHFFFAOYSA-N 2 2 235.287 0.625 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000422749909 387654872 /nfs/dbraw/zinc/65/48/72/387654872.db2.gz BKTKSYKEPFXKOD-MNOVXSKESA-N 3 2 208.309 0.471 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCn1ccnc1 ZINC000422749909 387654874 /nfs/dbraw/zinc/65/48/74/387654874.db2.gz BKTKSYKEPFXKOD-MNOVXSKESA-N 2 2 208.309 0.471 20 0 BCADLP C[C@H]1C[N@H+](CC(=O)N(C)CC2CC2)CC[C@H]1[NH3+] ZINC000430927137 387661021 /nfs/dbraw/zinc/66/10/21/387661021.db2.gz PRAIMWNCPWJWDH-CMPLNLGQSA-N 2 2 239.363 0.524 20 0 BCADLP C[C@H]1C[N@@H+](CC(=O)N(C)CC2CC2)CC[C@H]1[NH3+] ZINC000430927137 387661025 /nfs/dbraw/zinc/66/10/25/387661025.db2.gz PRAIMWNCPWJWDH-CMPLNLGQSA-N 2 2 239.363 0.524 20 0 BCADLP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)CC[C@@H]1[NH3+] ZINC000430927139 387661412 /nfs/dbraw/zinc/66/14/12/387661412.db2.gz PRAIMWNCPWJWDH-PWSUYJOCSA-N 2 2 239.363 0.524 20 0 BCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)CC[C@@H]1[NH3+] ZINC000430927139 387661415 /nfs/dbraw/zinc/66/14/15/387661415.db2.gz PRAIMWNCPWJWDH-PWSUYJOCSA-N 2 2 239.363 0.524 20 0 BCADLP Cc1cc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)ccn1 ZINC000527657192 387662144 /nfs/dbraw/zinc/66/21/44/387662144.db2.gz JXKYBEHPLMGLHN-CQSZACIVSA-N 2 2 248.374 0.725 20 0 BCADLP Cc1cc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)ccn1 ZINC000527657192 387662147 /nfs/dbraw/zinc/66/21/47/387662147.db2.gz JXKYBEHPLMGLHN-CQSZACIVSA-N 2 2 248.374 0.725 20 0 BCADLP COc1coc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1=O ZINC000430927860 387664186 /nfs/dbraw/zinc/66/41/86/387664186.db2.gz JNSFSKHJRQACOS-SECBINFHSA-N 2 2 238.287 0.429 20 0 BCADLP COc1coc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1=O ZINC000430927860 387664191 /nfs/dbraw/zinc/66/41/91/387664191.db2.gz JNSFSKHJRQACOS-SECBINFHSA-N 2 2 238.287 0.429 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@H](O)[C@@H]2CCCO2)n1C ZINC000527757778 387696000 /nfs/dbraw/zinc/69/60/00/387696000.db2.gz ROOHDMNVQPRELY-RYUDHWBXSA-N 2 2 239.319 0.358 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422774993 387672704 /nfs/dbraw/zinc/67/27/04/387672704.db2.gz ZGXHUCDCCSCEKA-LPEHRKFASA-N 2 2 213.325 0.099 20 0 BCADLP COc1cc[nH+]cc1NC(=O)COC1C[NH2+]C1 ZINC000431039887 387672749 /nfs/dbraw/zinc/67/27/49/387672749.db2.gz JKQJWWZIBLNEAT-UHFFFAOYSA-N 2 2 237.259 0.017 20 0 BCADLP COC[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)C1CC1 ZINC000126514704 387686197 /nfs/dbraw/zinc/68/61/97/387686197.db2.gz WBQLMOCULALFHF-OLZOCXBDSA-N 2 2 241.379 0.247 20 0 BCADLP COC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC000126514704 387686200 /nfs/dbraw/zinc/68/62/00/387686200.db2.gz WBQLMOCULALFHF-OLZOCXBDSA-N 2 2 241.379 0.247 20 0 BCADLP CC[C@H]1C[C@H]([NH2+]CC[N@H+](CC)CCO)CCO1 ZINC000648524216 387742636 /nfs/dbraw/zinc/74/26/36/387742636.db2.gz WPKSYKYFHGEGTQ-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP CC[C@H]1C[C@H]([NH2+]CC[N@@H+](CC)CCO)CCO1 ZINC000648524216 387742639 /nfs/dbraw/zinc/74/26/39/387742639.db2.gz WPKSYKYFHGEGTQ-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP Cc1[nH]c(C(=O)N[C@](C)(C[NH3+])C(C)C)c[nH+]1 ZINC000422861383 387745351 /nfs/dbraw/zinc/74/53/51/387745351.db2.gz JHPHGJFCTGUOAQ-LLVKDONJSA-N 2 2 224.308 0.821 20 0 BCADLP COC(=O)[C@H](C)[NH2+][C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000377824353 387753540 /nfs/dbraw/zinc/75/35/40/387753540.db2.gz RHBZLOGPJDPQRK-VHSXEESVSA-N 2 2 237.303 0.657 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000422803645 387701867 /nfs/dbraw/zinc/70/18/67/387701867.db2.gz DEGLMPMLCDHNLQ-NXEZZACHSA-N 2 2 227.352 0.489 20 0 BCADLP Cc1[nH]c(C(=O)N[C@](C)(C[NH3+])C2CC2)c[nH+]1 ZINC000422831446 387726431 /nfs/dbraw/zinc/72/64/31/387726431.db2.gz SXARUKUWNQZGCO-LLVKDONJSA-N 2 2 222.292 0.575 20 0 BCADLP C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)[C@H]1CCC[NH2+]1 ZINC000422833128 387726939 /nfs/dbraw/zinc/72/69/39/387726939.db2.gz YLZVFYAZWRVZDY-MXWKQRLJSA-N 2 2 225.336 0.337 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC(=O)NC(C)(C)C ZINC000422959948 387811987 /nfs/dbraw/zinc/81/19/87/387811987.db2.gz UUDRZGGSHVRIEK-GHMZBOCLSA-N 2 2 241.379 0.879 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422916865 387773699 /nfs/dbraw/zinc/77/36/99/387773699.db2.gz BTEKEDZEIRUYOI-FOGDFJRCSA-N 2 2 237.347 0.480 20 0 BCADLP CC(C)N1C[C@@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1=O ZINC000422920451 387775409 /nfs/dbraw/zinc/77/54/09/387775409.db2.gz MBAVMDVMCYXQJV-WOPDTQHZSA-N 2 2 239.363 0.583 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000422919070 387775813 /nfs/dbraw/zinc/77/58/13/387775813.db2.gz JBRUMSGFQOLKGR-FOGDFJRCSA-N 2 2 237.347 0.337 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC(=O)NC(C)(C)C ZINC000422959949 387812353 /nfs/dbraw/zinc/81/23/53/387812353.db2.gz UUDRZGGSHVRIEK-MNOVXSKESA-N 2 2 241.379 0.879 20 0 BCADLP CO[C@H](C)CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422899790 387784572 /nfs/dbraw/zinc/78/45/72/387784572.db2.gz IFSJBTOKCPTHDX-KGYLQXTDSA-N 2 2 242.363 0.768 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000049281099 387785703 /nfs/dbraw/zinc/78/57/03/387785703.db2.gz HRDJSGPJDAWHQZ-LBPRGKRZSA-N 2 2 241.379 0.834 20 0 BCADLP CCCCNC(=O)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000049281099 387785709 /nfs/dbraw/zinc/78/57/09/387785709.db2.gz HRDJSGPJDAWHQZ-LBPRGKRZSA-N 2 2 241.379 0.834 20 0 BCADLP CO[C@H](C)CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422899800 387786285 /nfs/dbraw/zinc/78/62/85/387786285.db2.gz IFSJBTOKCPTHDX-RTXFEEFZSA-N 2 2 242.363 0.768 20 0 BCADLP CCOCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422901556 387787211 /nfs/dbraw/zinc/78/72/11/387787211.db2.gz SATYOWGZXIZTQJ-NWDGAFQWSA-N 2 2 228.336 0.380 20 0 BCADLP CCn1nncc1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000527918760 387788505 /nfs/dbraw/zinc/78/85/05/387788505.db2.gz DHJVDINMVLHJFO-JQWIXIFHSA-N 2 2 237.351 0.728 20 0 BCADLP CCn1nncc1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000527918760 387788508 /nfs/dbraw/zinc/78/85/08/387788508.db2.gz DHJVDINMVLHJFO-JQWIXIFHSA-N 2 2 237.351 0.728 20 0 BCADLP CCn1ncc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)n1 ZINC000527920790 387789245 /nfs/dbraw/zinc/78/92/45/387789245.db2.gz JKALKZCMLNFSPN-JQWIXIFHSA-N 2 2 237.351 0.728 20 0 BCADLP CCn1ncc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000527920790 387789251 /nfs/dbraw/zinc/78/92/51/387789251.db2.gz JKALKZCMLNFSPN-JQWIXIFHSA-N 2 2 237.351 0.728 20 0 BCADLP COc1cc[nH+]cc1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424151671 387792699 /nfs/dbraw/zinc/79/26/99/387792699.db2.gz HLVHNOAOKZTXPI-RQJHMYQMSA-N 2 2 207.233 0.376 20 0 BCADLP COC[C@@H](CCO)[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422982003 387793811 /nfs/dbraw/zinc/79/38/11/387793811.db2.gz UZPLNWKJRYLNRF-UTUOFQBUSA-N 2 2 230.352 0.504 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC(=O)NC(C)(C)C ZINC000422959950 387811244 /nfs/dbraw/zinc/81/12/44/387811244.db2.gz UUDRZGGSHVRIEK-QWRGUYRKSA-N 2 2 241.379 0.879 20 0 BCADLP Cc1nc(C[C@H]2CCC[N@@H+](C[C@H](C)[NH3+])C2)no1 ZINC000442665760 387819738 /nfs/dbraw/zinc/81/97/38/387819738.db2.gz NUTDYJAYRGZJMY-GXSJLCMTSA-N 2 2 238.335 0.980 20 0 BCADLP Cc1nc(C[C@H]2CCC[N@H+](C[C@H](C)[NH3+])C2)no1 ZINC000442665760 387819741 /nfs/dbraw/zinc/81/97/41/387819741.db2.gz NUTDYJAYRGZJMY-GXSJLCMTSA-N 2 2 238.335 0.980 20 0 BCADLP CC(C)COC[C@H](O)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422970846 387821529 /nfs/dbraw/zinc/82/15/29/387821529.db2.gz HDOKWFGDBYXLRN-UPJWGTAASA-N 2 2 244.379 0.608 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1COC1 ZINC000528024100 387829120 /nfs/dbraw/zinc/82/91/20/387829120.db2.gz FMFUFAYPSOAZGQ-JOYOIKCWSA-N 2 2 210.321 0.705 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1COC1 ZINC000528024100 387829123 /nfs/dbraw/zinc/82/91/23/387829123.db2.gz FMFUFAYPSOAZGQ-JOYOIKCWSA-N 2 2 210.321 0.705 20 0 BCADLP C[NH2+]C[C@H](C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424161602 387844086 /nfs/dbraw/zinc/84/40/86/387844086.db2.gz BTOQARPVEQJHCI-DTWKUNHWSA-N 2 2 249.305 0.203 20 0 BCADLP Cc1ncc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c(=O)[nH]1 ZINC000423031213 387846805 /nfs/dbraw/zinc/84/68/05/387846805.db2.gz KTIDKDLRQPSYGQ-KCJUWKMLSA-N 2 2 236.319 0.721 20 0 BCADLP COC[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000433007112 387849208 /nfs/dbraw/zinc/84/92/08/387849208.db2.gz UERBQPUEXUQILZ-OLZOCXBDSA-N 2 2 242.363 0.864 20 0 BCADLP Cc1ncc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c(=O)[nH]1 ZINC000423035635 387851431 /nfs/dbraw/zinc/85/14/31/387851431.db2.gz SCWCSRVFZCLXQQ-LDYMZIIASA-N 2 2 236.319 0.578 20 0 BCADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CCC1 ZINC000423057671 387865124 /nfs/dbraw/zinc/86/51/24/387865124.db2.gz HVQDPAMVTMEUKK-GHMZBOCLSA-N 3 2 211.353 0.940 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423067109 387869747 /nfs/dbraw/zinc/86/97/47/387869747.db2.gz GJIOUQWIQSFBDN-NNYUYHANSA-N 2 2 230.352 0.766 20 0 BCADLP C[C@@H]([NH3+])CN1CC[NH+](Cc2ccccn2)CC1 ZINC000442662327 387817405 /nfs/dbraw/zinc/81/74/05/387817405.db2.gz QDWYEYTVBCOQLG-GFCCVEGCSA-N 2 2 234.347 0.546 20 0 BCADLP CC[C@H]([NH2+][C@@H](C)C(=O)NCCF)[C@@H]1CCC[NH2+]1 ZINC000423113758 387896223 /nfs/dbraw/zinc/89/62/23/387896223.db2.gz LEMGHHWNVNOUDC-DCAQKATOSA-N 2 2 245.342 0.581 20 0 BCADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)C(=O)NCCF ZINC000423116763 387898190 /nfs/dbraw/zinc/89/81/90/387898190.db2.gz RLLLHZCWECUNLI-DCAQKATOSA-N 2 2 245.342 0.581 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCOCC(F)F ZINC000423072932 387875205 /nfs/dbraw/zinc/87/52/05/387875205.db2.gz QQFZJWAHLIBVBL-DTWKUNHWSA-N 2 2 222.279 0.856 20 0 BCADLP COC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000643537410 387875911 /nfs/dbraw/zinc/87/59/11/387875911.db2.gz HIYMUILLMQMQPF-DCAQKATOSA-N 2 2 216.300 0.701 20 0 BCADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538393 387876203 /nfs/dbraw/zinc/87/62/03/387876203.db2.gz JDQMZCODOILRNF-RHYQMDGZSA-N 3 2 229.343 0.664 20 0 BCADLP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@H]1COCC[NH2+]1 ZINC000424188010 387907453 /nfs/dbraw/zinc/90/74/53/387907453.db2.gz JDSVDEFBOOVHNX-GFCCVEGCSA-N 2 2 247.298 0.217 20 0 BCADLP CC[C@@H]([NH2+][C@@H](C)C(=O)NC)[C@H]1CCCC[NH2+]1 ZINC000423133652 387912117 /nfs/dbraw/zinc/91/21/17/387912117.db2.gz QWJCFTFTFCQPLJ-HBNTYKKESA-N 2 2 227.352 0.631 20 0 BCADLP CC[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)OC ZINC000423144595 387919633 /nfs/dbraw/zinc/91/96/33/387919633.db2.gz ZCRGVZHWLLRDTJ-AGIUHOORSA-N 2 2 242.363 0.768 20 0 BCADLP CCN1C[C@@H]([NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)CC1=O ZINC000423157758 387936259 /nfs/dbraw/zinc/93/62/59/387936259.db2.gz VQGIZYFIAIPEIA-SRVKXCTJSA-N 2 2 239.363 0.727 20 0 BCADLP CC[C@@H]([NH2+][C@@H](CC)C(=O)NC)[C@@H]1CCC[NH2+]1 ZINC000423159626 387940383 /nfs/dbraw/zinc/94/03/83/387940383.db2.gz GANAITWQAJVPKB-VWYCJHECSA-N 2 2 227.352 0.631 20 0 BCADLP COCCN(C)CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156222870 387940829 /nfs/dbraw/zinc/94/08/29/387940829.db2.gz RKWKSVBYEUNOLE-OLZOCXBDSA-N 2 2 243.395 0.637 20 0 BCADLP COCCN(C)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156222870 387940834 /nfs/dbraw/zinc/94/08/34/387940834.db2.gz RKWKSVBYEUNOLE-OLZOCXBDSA-N 2 2 243.395 0.637 20 0 BCADLP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2COCC[NH2+]2)c1 ZINC000424240975 387942118 /nfs/dbraw/zinc/94/21/18/387942118.db2.gz NQPRWASFBVBHRK-LBPRGKRZSA-N 2 2 249.314 0.381 20 0 BCADLP CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423161045 387944443 /nfs/dbraw/zinc/94/44/43/387944443.db2.gz NCMOMTGRPFIPJI-IRCOFANPSA-N 2 2 228.336 0.520 20 0 BCADLP CC[C@@H]([NH2+]C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423178458 387964943 /nfs/dbraw/zinc/96/49/43/387964943.db2.gz GEHYLNDTOPHDOV-NEPJUHHUSA-N 3 2 211.353 0.859 20 0 BCADLP CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423184211 387970139 /nfs/dbraw/zinc/97/01/39/387970139.db2.gz NFZQNCGKVPGMTK-AXFHLTTASA-N 2 2 227.352 0.630 20 0 BCADLP COC[C@@H](C)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424294986 387957327 /nfs/dbraw/zinc/95/73/27/387957327.db2.gz PIPNHNNCVXLDAN-ADEWGFFLSA-N 2 2 238.335 0.182 20 0 BCADLP COC[C@@H](C)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424294986 387957333 /nfs/dbraw/zinc/95/73/33/387957333.db2.gz PIPNHNNCVXLDAN-ADEWGFFLSA-N 2 2 238.335 0.182 20 0 BCADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423192620 387978414 /nfs/dbraw/zinc/97/84/14/387978414.db2.gz PVKGBIJJVHFCRU-WOPDTQHZSA-N 3 2 211.353 0.716 20 0 BCADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000423202728 387989120 /nfs/dbraw/zinc/98/91/20/387989120.db2.gz LDKKKSMTMHWUCD-QWRGUYRKSA-N 2 2 227.352 0.585 20 0 BCADLP C[C@H]([NH2+]CCN1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000423211470 387994866 /nfs/dbraw/zinc/99/48/66/387994866.db2.gz YHLWGOWYVBIPKV-QWHCGFSZSA-N 3 2 240.395 0.012 20 0 BCADLP CCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424340253 387982482 /nfs/dbraw/zinc/98/24/82/387982482.db2.gz XQPJLNPDENJBMV-NXEZZACHSA-N 2 2 213.325 0.372 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000081008407 388005271 /nfs/dbraw/zinc/00/52/71/388005271.db2.gz UJSXJOWXWUKHOO-JTQLQIEISA-N 2 2 236.319 0.569 20 0 BCADLP CC[NH2+]CC[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000423238581 388022891 /nfs/dbraw/zinc/02/28/91/388022891.db2.gz RCGJBZQFQPIXES-LLVKDONJSA-N 2 2 222.336 0.997 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000423251377 388033443 /nfs/dbraw/zinc/03/34/43/388033443.db2.gz RXUDNNPWQSJFCE-XQQFMLRXSA-N 3 2 225.380 0.916 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000423251377 388033446 /nfs/dbraw/zinc/03/34/46/388033446.db2.gz RXUDNNPWQSJFCE-XQQFMLRXSA-N 3 2 225.380 0.916 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254773 388037182 /nfs/dbraw/zinc/03/71/82/388037182.db2.gz ZJBAUUPREIVOLS-WOPDTQHZSA-N 3 2 211.353 0.526 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254773 388037185 /nfs/dbraw/zinc/03/71/85/388037185.db2.gz ZJBAUUPREIVOLS-WOPDTQHZSA-N 3 2 211.353 0.526 20 0 BCADLP C[NH2+]CC[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000423245947 388028853 /nfs/dbraw/zinc/02/88/53/388028853.db2.gz MSRBXBFGPSIUKF-NSHDSACASA-N 2 2 210.325 0.717 20 0 BCADLP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H](C[NH3+])C1CC1 ZINC000423285486 388069993 /nfs/dbraw/zinc/06/99/93/388069993.db2.gz YFXVYQBXCNSFPF-WQAKAFBOSA-N 2 2 223.364 0.796 20 0 BCADLP Cc1cnc(CC[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cn1 ZINC000453404757 388074817 /nfs/dbraw/zinc/07/48/17/388074817.db2.gz PSBUJIQDFHWMTD-MFKMUULPSA-N 2 2 234.347 0.867 20 0 BCADLP Cc1cnc(CC[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cn1 ZINC000453404757 388074818 /nfs/dbraw/zinc/07/48/18/388074818.db2.gz PSBUJIQDFHWMTD-MFKMUULPSA-N 2 2 234.347 0.867 20 0 BCADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000423298290 388079507 /nfs/dbraw/zinc/07/95/07/388079507.db2.gz NYGOWRZQEXUYJY-XQQFMLRXSA-N 3 2 243.395 0.861 20 0 BCADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000423298289 388080090 /nfs/dbraw/zinc/08/00/90/388080090.db2.gz NYGOWRZQEXUYJY-UPJWGTAASA-N 3 2 243.395 0.861 20 0 BCADLP CO[C@H](C)CC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000336660024 388088189 /nfs/dbraw/zinc/08/81/89/388088189.db2.gz BAGJCPCHAQHLET-IJLUTSLNSA-N 2 2 230.352 0.768 20 0 BCADLP CC[C@H](O)C[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000336661090 388100325 /nfs/dbraw/zinc/10/03/25/388100325.db2.gz SCDPZDVGMVPIHZ-GARJFASQSA-N 2 2 200.326 0.687 20 0 BCADLP CC[C@H](O)C[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336661090 388100329 /nfs/dbraw/zinc/10/03/29/388100329.db2.gz SCDPZDVGMVPIHZ-GARJFASQSA-N 2 2 200.326 0.687 20 0 BCADLP CO[C@H](C[NH3+])CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000645976160 388112161 /nfs/dbraw/zinc/11/21/61/388112161.db2.gz BVFPFMIBEKWHID-JTQLQIEISA-N 2 2 248.286 0.637 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CSC[C@H]1C ZINC000449251394 388162598 /nfs/dbraw/zinc/16/25/98/388162598.db2.gz RPCAXACPJWXPLL-GHMZBOCLSA-N 2 2 232.393 0.642 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CSC[C@H]1C ZINC000449251394 388162601 /nfs/dbraw/zinc/16/26/01/388162601.db2.gz RPCAXACPJWXPLL-GHMZBOCLSA-N 2 2 232.393 0.642 20 0 BCADLP [NH3+]CCCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265089 388172646 /nfs/dbraw/zinc/17/26/46/388172646.db2.gz LICDQFWMWXFYQQ-LLVKDONJSA-N 2 2 248.330 0.515 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000646046054 388131716 /nfs/dbraw/zinc/13/17/16/388131716.db2.gz CACRFWLIWFASFR-UWVGGRQHSA-N 2 2 222.292 0.414 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000646046054 388131718 /nfs/dbraw/zinc/13/17/18/388131718.db2.gz CACRFWLIWFASFR-UWVGGRQHSA-N 2 2 222.292 0.414 20 0 BCADLP Cc1ccc2[nH+]c(Cn3nnnc3C[NH3+])cn2c1 ZINC000646077397 388138166 /nfs/dbraw/zinc/13/81/66/388138166.db2.gz NPRWVWKTFXCSCZ-UHFFFAOYSA-N 2 2 243.274 0.136 20 0 BCADLP Cc1nocc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000646105215 388144120 /nfs/dbraw/zinc/14/41/20/388144120.db2.gz MRJCLINQSAMRJI-UWVGGRQHSA-N 2 2 207.277 0.634 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC(C)(C)CO ZINC000449409257 388189511 /nfs/dbraw/zinc/18/95/11/388189511.db2.gz SFDHBEUQVOYUFE-QWRGUYRKSA-N 2 2 214.353 0.935 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC(C)(C)CO ZINC000449409257 388189512 /nfs/dbraw/zinc/18/95/12/388189512.db2.gz SFDHBEUQVOYUFE-QWRGUYRKSA-N 2 2 214.353 0.935 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CC[C@](C)(O)COC)[C@@H](C)C1 ZINC000449386335 388190406 /nfs/dbraw/zinc/19/04/06/388190406.db2.gz TWAYBHPDYMGCAB-AVGNSLFASA-N 2 2 244.379 0.704 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]CC[C@](C)(O)COC)[C@@H](C)C1 ZINC000449386335 388190408 /nfs/dbraw/zinc/19/04/08/388190408.db2.gz TWAYBHPDYMGCAB-AVGNSLFASA-N 2 2 244.379 0.704 20 0 BCADLP CCOC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449387893 388190744 /nfs/dbraw/zinc/19/07/44/388190744.db2.gz NKDBSGFAYSBFLU-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP CCOC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449387893 388190747 /nfs/dbraw/zinc/19/07/47/388190747.db2.gz NKDBSGFAYSBFLU-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP CC[C@H](COC)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449389708 388192219 /nfs/dbraw/zinc/19/22/19/388192219.db2.gz DROPWOBNEMJVAO-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP CC[C@H](COC)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449389708 388192220 /nfs/dbraw/zinc/19/22/20/388192220.db2.gz DROPWOBNEMJVAO-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP COCC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449393225 388192860 /nfs/dbraw/zinc/19/28/60/388192860.db2.gz LSOWNYJJQZCPBD-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP COCC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449393225 388192862 /nfs/dbraw/zinc/19/28/62/388192862.db2.gz LSOWNYJJQZCPBD-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP CCN1C[C@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1=O ZINC000449517159 388221926 /nfs/dbraw/zinc/22/19/26/388221926.db2.gz JAFLQYNEXICIGY-MXWKQRLJSA-N 2 2 225.336 0.147 20 0 BCADLP CCN1C[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1=O ZINC000449517159 388221927 /nfs/dbraw/zinc/22/19/27/388221927.db2.gz JAFLQYNEXICIGY-MXWKQRLJSA-N 2 2 225.336 0.147 20 0 BCADLP C[NH+](C)C/C=C\C(=O)NCCc1[nH]cc[nH+]1 ZINC000492041013 388332712 /nfs/dbraw/zinc/33/27/12/388332712.db2.gz MOKCHPYMTUAGEU-ARJAWSKDSA-N 2 2 222.292 0.186 20 0 BCADLP C[NH+](C)C/C=C\C(=O)N1CCn2cc[nH+]c2C1 ZINC000491884583 388326103 /nfs/dbraw/zinc/32/61/03/388326103.db2.gz NSWLDFITOSGPRD-ARJAWSKDSA-N 2 2 234.303 0.343 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@H]([NH3+])CCSC)CC1 ZINC000163369864 388269790 /nfs/dbraw/zinc/26/97/90/388269790.db2.gz IHNIHSUDBXNIKF-SNVBAGLBSA-N 2 2 245.392 0.231 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[NH+](C)CC1 ZINC000492320408 388341302 /nfs/dbraw/zinc/34/13/02/388341302.db2.gz OURGATHARLABTN-PLNGDYQASA-N 2 2 248.330 0.690 20 0 BCADLP C[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1[NH3+] ZINC000300049457 388345883 /nfs/dbraw/zinc/34/58/83/388345883.db2.gz RXBADYHXDQKDIE-MWLCHTKSSA-N 2 2 208.309 0.242 20 0 BCADLP C[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1[NH3+] ZINC000300049457 388345886 /nfs/dbraw/zinc/34/58/86/388345886.db2.gz RXBADYHXDQKDIE-MWLCHTKSSA-N 2 2 208.309 0.242 20 0 BCADLP CN(CC[NH+](C)C)c1nc[nH+]c(N)c1Cl ZINC000234233320 388353919 /nfs/dbraw/zinc/35/39/19/388353919.db2.gz ATQFRZAZAUKKKP-UHFFFAOYSA-N 2 2 229.715 0.710 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646430460 388358090 /nfs/dbraw/zinc/35/80/90/388358090.db2.gz RWYOZYINOQJXMC-JTQLQIEISA-N 2 2 219.288 0.748 20 0 BCADLP CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1c[nH+]cn1C ZINC000236881739 388386248 /nfs/dbraw/zinc/38/62/48/388386248.db2.gz ZGHMSDGLOJJFNM-NXEZZACHSA-N 2 2 238.335 0.813 20 0 BCADLP Cc1nocc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000293597836 388390858 /nfs/dbraw/zinc/39/08/58/388390858.db2.gz OQZDLKIEAFFKGJ-GFCCVEGCSA-N 2 2 239.319 0.529 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnn(C)n1 ZINC000294232673 388397055 /nfs/dbraw/zinc/39/70/55/388397055.db2.gz SWHTUPJBVRYODK-SECBINFHSA-N 2 2 220.280 0.190 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)COC)C1 ZINC000308500526 388440529 /nfs/dbraw/zinc/44/05/29/388440529.db2.gz GGQCAVLAUSZRAK-GMTAPVOTSA-N 2 2 200.326 0.951 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)COC)C1 ZINC000308500526 388440531 /nfs/dbraw/zinc/44/05/31/388440531.db2.gz GGQCAVLAUSZRAK-GMTAPVOTSA-N 2 2 200.326 0.951 20 0 BCADLP C[C@@H]([NH3+])CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000194937709 388457772 /nfs/dbraw/zinc/45/77/72/388457772.db2.gz GELMIHBHLIRTLR-MRVPVSSYSA-N 2 2 218.260 0.411 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C[C@@H]1CCCO1)C1CC1 ZINC000336710896 388466255 /nfs/dbraw/zinc/46/62/55/388466255.db2.gz NEFYMJSSROXION-STQMWFEESA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+](C)C[C@@H]1CCCO1)C1CC1 ZINC000336710896 388466256 /nfs/dbraw/zinc/46/62/56/388466256.db2.gz NEFYMJSSROXION-STQMWFEESA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C[C@@H]1CCCO1 ZINC000336710896 388466258 /nfs/dbraw/zinc/46/62/58/388466258.db2.gz NEFYMJSSROXION-STQMWFEESA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C[C@@H]1CCCO1 ZINC000336710896 388466260 /nfs/dbraw/zinc/46/62/60/388466260.db2.gz NEFYMJSSROXION-STQMWFEESA-N 2 2 242.363 0.552 20 0 BCADLP C[NH2+]CC[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000573071726 388418265 /nfs/dbraw/zinc/41/82/65/388418265.db2.gz PEGUUHATKLXZTR-UHFFFAOYSA-N 2 2 249.293 0.715 20 0 BCADLP C[NH2+]C[C@@H](C)CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000514857428 256723381 /nfs/dbraw/zinc/72/33/81/256723381.db2.gz PDLAWBWBHCLHGA-VXNVDRBHSA-N 2 2 242.348 0.115 20 0 BCADLP C[C@@H](CC(=O)N1CC[C@H]([NH3+])[C@@H]1C)n1cc[nH+]c1 ZINC000517165808 388540461 /nfs/dbraw/zinc/54/04/61/388540461.db2.gz FWBIHVLZDWSYEZ-DCAQKATOSA-N 2 2 236.319 0.782 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CC[C@@H](C)CCO)C1 ZINC000397620365 388484444 /nfs/dbraw/zinc/48/44/44/388484444.db2.gz GKVDWGUAOGWWTN-CHWSQXEVSA-N 2 2 244.379 0.705 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+]CC[C@@H](C)CCO)C1 ZINC000397620365 388484445 /nfs/dbraw/zinc/48/44/45/388484445.db2.gz GKVDWGUAOGWWTN-CHWSQXEVSA-N 2 2 244.379 0.705 20 0 BCADLP CC(C)CCNC(=O)[C@@H](C)[NH+]1CCC([NH3+])CC1 ZINC000034939777 388492190 /nfs/dbraw/zinc/49/21/90/388492190.db2.gz OZRGVQVGORINMA-LLVKDONJSA-N 2 2 241.379 0.960 20 0 BCADLP CN(CCC[NH3+])C(=O)c1ccc2[nH+]ccn2c1 ZINC000646783236 388501540 /nfs/dbraw/zinc/50/15/40/388501540.db2.gz XAXRQIZQMYTOMW-UHFFFAOYSA-N 2 2 232.287 0.755 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnnn2C)C1 ZINC000347049076 388521520 /nfs/dbraw/zinc/52/15/20/388521520.db2.gz PRBJUBZWDINLNC-VHSXEESVSA-N 2 2 223.324 0.374 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnnn2C)C1 ZINC000347049076 388521522 /nfs/dbraw/zinc/52/15/22/388521522.db2.gz PRBJUBZWDINLNC-VHSXEESVSA-N 2 2 223.324 0.374 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000516870128 388522133 /nfs/dbraw/zinc/52/21/33/388522133.db2.gz TYCYHPVLOAFBDH-BBBLOLIVSA-N 2 2 222.292 0.125 20 0 BCADLP CCn1cc[nH+]c1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000516980440 388530699 /nfs/dbraw/zinc/53/06/99/388530699.db2.gz XXTYLNUASVNCAQ-JTQLQIEISA-N 2 2 236.319 0.613 20 0 BCADLP CCn1cc[nH+]c1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000516980440 388530701 /nfs/dbraw/zinc/53/07/01/388530701.db2.gz XXTYLNUASVNCAQ-JTQLQIEISA-N 2 2 236.319 0.613 20 0 BCADLP CNC(=O)CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000517038285 388534868 /nfs/dbraw/zinc/53/48/68/388534868.db2.gz SXTUMYDTSSUQCN-SNVBAGLBSA-N 2 2 236.319 0.346 20 0 BCADLP CNC(=O)CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000517038285 388534870 /nfs/dbraw/zinc/53/48/70/388534870.db2.gz SXTUMYDTSSUQCN-SNVBAGLBSA-N 2 2 236.319 0.346 20 0 BCADLP C[C@@H]([NH3+])C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000649306230 388591483 /nfs/dbraw/zinc/59/14/83/388591483.db2.gz GZWBJUZBRVZXLI-SNVBAGLBSA-N 2 2 233.315 0.466 20 0 BCADLP COc1cc[nH+]cc1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649312061 388598534 /nfs/dbraw/zinc/59/85/34/388598534.db2.gz KDQKAZRMYBIHHH-HLTSFMKQSA-N 2 2 233.271 0.779 20 0 BCADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1CCNC1=O ZINC000245689110 388598560 /nfs/dbraw/zinc/59/85/60/388598560.db2.gz OWZNLGOPBBLUIY-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1CCNC1=O ZINC000245689110 388598563 /nfs/dbraw/zinc/59/85/63/388598563.db2.gz OWZNLGOPBBLUIY-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCNC1=O ZINC000245689110 388598566 /nfs/dbraw/zinc/59/85/66/388598566.db2.gz OWZNLGOPBBLUIY-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@H]1CCNC1=O ZINC000245689110 388598569 /nfs/dbraw/zinc/59/85/69/388598569.db2.gz OWZNLGOPBBLUIY-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC([NH+](C)C)C1 ZINC000517583157 388554437 /nfs/dbraw/zinc/55/44/37/388554437.db2.gz AXGHMNCOTVBTQC-VIFPVBQESA-N 2 2 236.319 0.361 20 0 BCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC([NH+](C)C)C1 ZINC000517583157 388554440 /nfs/dbraw/zinc/55/44/40/388554440.db2.gz AXGHMNCOTVBTQC-VIFPVBQESA-N 2 2 236.319 0.361 20 0 BCADLP [NH3+][C@H]1C[C@@H](C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000517571665 388554929 /nfs/dbraw/zinc/55/49/29/388554929.db2.gz ZZUOXBRLXCMRRT-PHIMTYICSA-N 2 2 248.330 0.737 20 0 BCADLP C[C@H]1CN(c2cc(NC3CC3)[nH+]cn2)C[C@H]1[NH3+] ZINC000521010030 388559228 /nfs/dbraw/zinc/55/92/28/388559228.db2.gz FYFBCGUEFCQRFG-WCBMZHEXSA-N 2 2 233.319 0.834 20 0 BCADLP CC1([NH+]2CCOCC2)CC[NH+](CCCO)CC1 ZINC000528730648 388563001 /nfs/dbraw/zinc/56/30/01/388563001.db2.gz NLPVNUNRNMPDEQ-UHFFFAOYSA-N 2 2 242.363 0.556 20 0 BCADLP C[NH+](C)C1CC([NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC000521271496 388568233 /nfs/dbraw/zinc/56/82/33/388568233.db2.gz IRWFGQIRPMOWIG-UHFFFAOYSA-N 2 2 247.342 0.968 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(N)=O)[C@@H](C)C1 ZINC000245445580 388579779 /nfs/dbraw/zinc/57/97/79/388579779.db2.gz ZAARZDXTJABHGQ-UWVGGRQHSA-N 2 2 213.325 0.134 20 0 BCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(N)=O)[C@@H](C)C1 ZINC000245445580 388579782 /nfs/dbraw/zinc/57/97/82/388579782.db2.gz ZAARZDXTJABHGQ-UWVGGRQHSA-N 2 2 213.325 0.134 20 0 BCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(N)=O)[C@@H](C)C1 ZINC000245445580 388579785 /nfs/dbraw/zinc/57/97/85/388579785.db2.gz ZAARZDXTJABHGQ-UWVGGRQHSA-N 2 2 213.325 0.134 20 0 BCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(N)=O)[C@@H](C)C1 ZINC000245445580 388579787 /nfs/dbraw/zinc/57/97/87/388579787.db2.gz ZAARZDXTJABHGQ-UWVGGRQHSA-N 2 2 213.325 0.134 20 0 BCADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC000247531510 388666253 /nfs/dbraw/zinc/66/62/53/388666253.db2.gz OGATZTNMCSNWCU-GHMZBOCLSA-N 2 2 227.352 0.524 20 0 BCADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC000247531510 388666255 /nfs/dbraw/zinc/66/62/55/388666255.db2.gz OGATZTNMCSNWCU-GHMZBOCLSA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@@H](O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000538096396 388678195 /nfs/dbraw/zinc/67/81/95/388678195.db2.gz KXHIVPSTWAKTGU-GHMZBOCLSA-N 2 2 223.320 0.980 20 0 BCADLP CC[C@@H](O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000538096396 388678197 /nfs/dbraw/zinc/67/81/97/388678197.db2.gz KXHIVPSTWAKTGU-GHMZBOCLSA-N 2 2 223.320 0.980 20 0 BCADLP CO[C@H]1C[N@H+](Cc2c[nH+]c[nH]2)[C@](C)(CO)C1 ZINC000630076253 388618863 /nfs/dbraw/zinc/61/88/63/388618863.db2.gz IVHOMPSOKPSVMA-MNOVXSKESA-N 2 2 225.292 0.381 20 0 BCADLP CO[C@H]1C[N@@H+](Cc2c[nH+]c[nH]2)[C@](C)(CO)C1 ZINC000630076253 388618864 /nfs/dbraw/zinc/61/88/64/388618864.db2.gz IVHOMPSOKPSVMA-MNOVXSKESA-N 2 2 225.292 0.381 20 0 BCADLP CCn1nncc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000530208569 388626395 /nfs/dbraw/zinc/62/63/95/388626395.db2.gz HTQXBUYTDKMLCU-VHSXEESVSA-N 2 2 209.297 0.267 20 0 BCADLP CC(C)[N@H+](C)CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000564378457 388628230 /nfs/dbraw/zinc/62/82/30/388628230.db2.gz GXSHHTSHTUPANE-SECBINFHSA-N 2 2 224.308 0.927 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000564378457 388628233 /nfs/dbraw/zinc/62/82/33/388628233.db2.gz GXSHHTSHTUPANE-SECBINFHSA-N 2 2 224.308 0.927 20 0 BCADLP C[C@H](NC[C@@H]1COCC[NH2+]1)c1[nH+]ccn1C ZINC000530220059 388631539 /nfs/dbraw/zinc/63/15/39/388631539.db2.gz IFGMSRYASGAYSN-VHSXEESVSA-N 2 2 224.308 0.059 20 0 BCADLP C[C@@H](CS(C)(=O)=O)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530226312 388635956 /nfs/dbraw/zinc/63/59/56/388635956.db2.gz ZRLFVURNFSCQJY-VHSXEESVSA-N 2 2 246.376 0.294 20 0 BCADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000521885235 388638569 /nfs/dbraw/zinc/63/85/69/388638569.db2.gz PZAYWYJZYXQTDC-CQSZACIVSA-N 3 2 231.343 0.865 20 0 BCADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000521885235 388638573 /nfs/dbraw/zinc/63/85/73/388638573.db2.gz PZAYWYJZYXQTDC-CQSZACIVSA-N 3 2 231.343 0.865 20 0 BCADLP C[C@@]1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CC[NH2+]C1 ZINC000530244742 388638928 /nfs/dbraw/zinc/63/89/28/388638928.db2.gz NCVGULUYRJMSIV-NWDGAFQWSA-N 3 2 223.364 0.860 20 0 BCADLP Cn1c[nH+]cc1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000530245364 388639027 /nfs/dbraw/zinc/63/90/27/388639027.db2.gz WSJYNKFKAYGXHI-LLVKDONJSA-N 2 2 220.320 0.794 20 0 BCADLP CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000193557684 388709761 /nfs/dbraw/zinc/70/97/61/388709761.db2.gz FNXJTQHXHBNLMH-UHFFFAOYSA-N 2 2 242.367 0.284 20 0 BCADLP CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000193557684 388709763 /nfs/dbraw/zinc/70/97/63/388709763.db2.gz FNXJTQHXHBNLMH-UHFFFAOYSA-N 2 2 242.367 0.284 20 0 BCADLP O=C(NCCn1cc[nH+]c1)NCCn1cc[nH+]c1 ZINC000193208574 388808802 /nfs/dbraw/zinc/80/88/02/388808802.db2.gz PWMUIAGEUATLJE-UHFFFAOYSA-N 2 2 248.290 0.079 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000252712813 388773143 /nfs/dbraw/zinc/77/31/43/388773143.db2.gz NKZITJUHKLGEJX-KXUCPTDWSA-N 2 2 225.336 0.465 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000252712813 388773147 /nfs/dbraw/zinc/77/31/47/388773147.db2.gz NKZITJUHKLGEJX-KXUCPTDWSA-N 2 2 225.336 0.465 20 0 BCADLP CCn1ncnc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252865612 388789476 /nfs/dbraw/zinc/78/94/76/388789476.db2.gz PWHPVTCKANXMTJ-SDDRHHMPSA-N 2 2 249.362 0.857 20 0 BCADLP CCn1ncnc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252865612 388789480 /nfs/dbraw/zinc/78/94/80/388789480.db2.gz PWHPVTCKANXMTJ-SDDRHHMPSA-N 2 2 249.362 0.857 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)CC[N@@H+]1C ZINC000129662123 388863128 /nfs/dbraw/zinc/86/31/28/388863128.db2.gz OYTGZFIXSMDBGO-NEPJUHHUSA-N 3 2 222.336 0.955 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)CC[N@H+]1C ZINC000129662123 388863131 /nfs/dbraw/zinc/86/31/31/388863131.db2.gz OYTGZFIXSMDBGO-NEPJUHHUSA-N 3 2 222.336 0.955 20 0 BCADLP Cn1nccc1CC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000300015232 388847649 /nfs/dbraw/zinc/84/76/49/388847649.db2.gz DXVRVRQLNNUOKT-WCQYABFASA-N 2 2 234.347 0.646 20 0 BCADLP Cn1nccc1CC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000300015232 388847651 /nfs/dbraw/zinc/84/76/51/388847651.db2.gz DXVRVRQLNNUOKT-WCQYABFASA-N 2 2 234.347 0.646 20 0 BCADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000564643237 388882034 /nfs/dbraw/zinc/88/20/34/388882034.db2.gz MGEUPIPOEFDSIU-LBPRGKRZSA-N 2 2 248.330 0.578 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+]CC1(O)CCOCC1 ZINC000564869030 388896169 /nfs/dbraw/zinc/89/61/69/388896169.db2.gz MXWXKCGMQAUNHT-JTQLQIEISA-N 2 2 216.325 0.068 20 0 BCADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@H](C)[NH3+] ZINC000194865885 388900963 /nfs/dbraw/zinc/90/09/63/388900963.db2.gz DRXSIVXZOJIOCM-VIFPVBQESA-N 2 2 246.314 0.808 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000565092833 388913251 /nfs/dbraw/zinc/91/32/51/388913251.db2.gz HQOBEFLFEOORPZ-NEPJUHHUSA-N 2 2 230.352 0.314 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000565092833 388913253 /nfs/dbraw/zinc/91/32/53/388913253.db2.gz HQOBEFLFEOORPZ-NEPJUHHUSA-N 2 2 230.352 0.314 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1cccnc1 ZINC000565095701 388913633 /nfs/dbraw/zinc/91/36/33/388913633.db2.gz MLMZSKHSWMALOD-LBPRGKRZSA-N 2 2 223.320 0.484 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1cccnc1 ZINC000565095701 388913636 /nfs/dbraw/zinc/91/36/36/388913636.db2.gz MLMZSKHSWMALOD-LBPRGKRZSA-N 2 2 223.320 0.484 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC2(C1)CCOCC2 ZINC000565224678 388927904 /nfs/dbraw/zinc/92/79/04/388927904.db2.gz MJYLHVRZJZAGHS-LBPRGKRZSA-N 2 2 242.363 0.411 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC2(C1)CCOCC2 ZINC000565224678 388927907 /nfs/dbraw/zinc/92/79/07/388927907.db2.gz MJYLHVRZJZAGHS-LBPRGKRZSA-N 2 2 242.363 0.411 20 0 BCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2nc(C3CC3)nn2C)C1 ZINC000564987700 388905139 /nfs/dbraw/zinc/90/51/39/388905139.db2.gz HFJFZHUIAQMVGG-ONGXEEELSA-N 2 2 249.362 0.862 20 0 BCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2nc(C3CC3)nn2C)C1 ZINC000564987700 388905136 /nfs/dbraw/zinc/90/51/36/388905136.db2.gz HFJFZHUIAQMVGG-ONGXEEELSA-N 2 2 249.362 0.862 20 0 BCADLP C[C@@H](CC(=O)NC[C@H](C)[NH+](C)C)n1cc[nH+]c1 ZINC000565665501 388961199 /nfs/dbraw/zinc/96/11/99/388961199.db2.gz RTLLPTHYXAQVTR-QWRGUYRKSA-N 2 2 238.335 0.901 20 0 BCADLP Cn1c[nH+]cc1CC(=O)N1CCC[N@@H+](C)CC1 ZINC000565574678 388956138 /nfs/dbraw/zinc/95/61/38/388956138.db2.gz KZLWEGJSTXOSGW-UHFFFAOYSA-N 2 2 236.319 0.127 20 0 BCADLP Cn1c[nH+]cc1CC(=O)N1CCC[N@H+](C)CC1 ZINC000565574678 388956135 /nfs/dbraw/zinc/95/61/35/388956135.db2.gz KZLWEGJSTXOSGW-UHFFFAOYSA-N 2 2 236.319 0.127 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000269279566 389008734 /nfs/dbraw/zinc/00/87/34/389008734.db2.gz ZKECFRMZACSLTG-VIFPVBQESA-N 2 2 222.292 0.334 20 0 BCADLP CC[C@H]1C[N@H+](CCn2cc[nH+]c2)C[C@@H]1O ZINC000270904525 389015373 /nfs/dbraw/zinc/01/53/73/389015373.db2.gz RSOMPOUPKSYLOO-QWRGUYRKSA-N 2 2 209.293 0.586 20 0 BCADLP CC[C@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@@H]1O ZINC000270904525 389015377 /nfs/dbraw/zinc/01/53/77/389015377.db2.gz RSOMPOUPKSYLOO-QWRGUYRKSA-N 2 2 209.293 0.586 20 0 BCADLP C[C@@H]([NH2+]CC(=O)NC(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000400332673 533346564 /nfs/dbraw/zinc/34/65/64/533346564.db2.gz FFFPGGFZIUKUIU-ZJUUUORDSA-N 2 2 227.352 0.631 20 0 BCADLP [NH3+]CC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000269234594 132194143 /nfs/dbraw/zinc/19/41/43/132194143.db2.gz LKQQZLGGKIOFFI-UHFFFAOYSA-N 2 2 248.330 0.647 20 0 BCADLP Cc1cc[nH+]c(N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000275744807 132205113 /nfs/dbraw/zinc/20/51/13/132205113.db2.gz CIYSHJXVJPLBAE-GFCCVEGCSA-N 2 2 235.331 0.893 20 0 BCADLP Cc1nc(N2CCN(c3[nH]cc[nH+]3)CC2)cc[nH+]1 ZINC000281045644 132211157 /nfs/dbraw/zinc/21/11/57/132211157.db2.gz WFQSOBNBHBXVGU-UHFFFAOYSA-N 2 2 244.302 0.835 20 0 BCADLP Cc1cccc(N2CC[N@@H+]3CCOC[C@@H]3C2)[nH+]1 ZINC000354818032 132270395 /nfs/dbraw/zinc/27/03/95/132270395.db2.gz KVDAGHHQMVNJIH-LBPRGKRZSA-N 2 2 233.315 0.911 20 0 BCADLP Cc1cccc(N2CC[N@H+]3CCOC[C@@H]3C2)[nH+]1 ZINC000354818032 132270397 /nfs/dbraw/zinc/27/03/97/132270397.db2.gz KVDAGHHQMVNJIH-LBPRGKRZSA-N 2 2 233.315 0.911 20 0 BCADLP Cc1cc[nH+]c(N2CC[NH+](CCO)CC2)c1 ZINC000043561838 132353438 /nfs/dbraw/zinc/35/34/38/132353438.db2.gz NLXGAYGFGIQCIO-UHFFFAOYSA-N 2 2 221.304 0.504 20 0 BCADLP CNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000335930928 134010491 /nfs/dbraw/zinc/01/04/91/134010491.db2.gz ABXXKVPXFDYHJK-GFCCVEGCSA-N 2 2 225.336 0.150 20 0 BCADLP CNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000335930928 134010492 /nfs/dbraw/zinc/01/04/92/134010492.db2.gz ABXXKVPXFDYHJK-GFCCVEGCSA-N 2 2 225.336 0.150 20 0 BCADLP CNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000335930928 134010493 /nfs/dbraw/zinc/01/04/93/134010493.db2.gz ABXXKVPXFDYHJK-GFCCVEGCSA-N 2 2 225.336 0.150 20 0 BCADLP CNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000335930928 134010494 /nfs/dbraw/zinc/01/04/94/134010494.db2.gz ABXXKVPXFDYHJK-GFCCVEGCSA-N 2 2 225.336 0.150 20 0 BCADLP COCCCC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000352024295 134040587 /nfs/dbraw/zinc/04/05/87/134040587.db2.gz FMTMRDMBJWNGHG-UHFFFAOYSA-N 2 2 244.379 0.802 20 0 BCADLP COCCCC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000352024295 134040588 /nfs/dbraw/zinc/04/05/88/134040588.db2.gz FMTMRDMBJWNGHG-UHFFFAOYSA-N 2 2 244.379 0.802 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000336119386 134089672 /nfs/dbraw/zinc/08/96/72/134089672.db2.gz JXZMLHWECQRCKF-RYUDHWBXSA-N 2 2 241.379 0.879 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000336119386 134089673 /nfs/dbraw/zinc/08/96/73/134089673.db2.gz JXZMLHWECQRCKF-RYUDHWBXSA-N 2 2 241.379 0.879 20 0 BCADLP C[NH2+]C1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000336128120 134093897 /nfs/dbraw/zinc/09/38/97/134093897.db2.gz PKJREFITIFVEEH-LBPRGKRZSA-N 2 2 237.347 0.434 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000336170980 134115177 /nfs/dbraw/zinc/11/51/77/134115177.db2.gz SDOPUCBWVMKMDQ-WDEREUQCSA-N 2 2 208.309 0.867 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000336170980 134115178 /nfs/dbraw/zinc/11/51/78/134115178.db2.gz SDOPUCBWVMKMDQ-WDEREUQCSA-N 2 2 208.309 0.867 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000336173700 134116097 /nfs/dbraw/zinc/11/60/97/134116097.db2.gz IPFXUIBRNKEBRK-MFKMUULPSA-N 2 2 231.299 0.750 20 0 BCADLP C[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H](C)[NH2+]1 ZINC000085170842 134224689 /nfs/dbraw/zinc/22/46/89/134224689.db2.gz VFSXGEIPACPVEE-AOOOYVTPSA-N 2 2 208.309 0.602 20 0 BCADLP CCc1cc(N(C)C2C[NH2+]C2)nc(C)[nH+]1 ZINC000085258515 134273033 /nfs/dbraw/zinc/27/30/33/134273033.db2.gz TZXGDZCPOQPUNR-UHFFFAOYSA-N 2 2 206.293 0.755 20 0 BCADLP CCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177061968 134296963 /nfs/dbraw/zinc/29/69/63/134296963.db2.gz AFNNDJJHIPBLQD-GHMZBOCLSA-N 2 2 227.352 0.537 20 0 BCADLP CCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177061968 134296964 /nfs/dbraw/zinc/29/69/64/134296964.db2.gz AFNNDJJHIPBLQD-GHMZBOCLSA-N 2 2 227.352 0.537 20 0 BCADLP CCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177061968 134296965 /nfs/dbraw/zinc/29/69/65/134296965.db2.gz AFNNDJJHIPBLQD-GHMZBOCLSA-N 2 2 227.352 0.537 20 0 BCADLP CCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177061968 134296966 /nfs/dbraw/zinc/29/69/66/134296966.db2.gz AFNNDJJHIPBLQD-GHMZBOCLSA-N 2 2 227.352 0.537 20 0 BCADLP CCNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000177061980 134297246 /nfs/dbraw/zinc/29/72/46/134297246.db2.gz AFNNDJJHIPBLQD-MNOVXSKESA-N 2 2 227.352 0.537 20 0 BCADLP CCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000177061980 134297247 /nfs/dbraw/zinc/29/72/47/134297247.db2.gz AFNNDJJHIPBLQD-MNOVXSKESA-N 2 2 227.352 0.537 20 0 BCADLP CCNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177061980 134297248 /nfs/dbraw/zinc/29/72/48/134297248.db2.gz AFNNDJJHIPBLQD-MNOVXSKESA-N 2 2 227.352 0.537 20 0 BCADLP CCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177061980 134297249 /nfs/dbraw/zinc/29/72/49/134297249.db2.gz AFNNDJJHIPBLQD-MNOVXSKESA-N 2 2 227.352 0.537 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000221476676 134325002 /nfs/dbraw/zinc/32/50/02/134325002.db2.gz KZSUKPWWNVUFOS-JQWIXIFHSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000221476676 134325003 /nfs/dbraw/zinc/32/50/03/134325003.db2.gz KZSUKPWWNVUFOS-JQWIXIFHSA-N 2 2 223.320 0.894 20 0 BCADLP COC[C@H](CCO)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000223968941 134343407 /nfs/dbraw/zinc/34/34/07/134343407.db2.gz GSNHCJQMVRARRD-WOPDTQHZSA-N 2 2 242.363 0.599 20 0 BCADLP C[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C[C@@H]1O ZINC000224545763 134348547 /nfs/dbraw/zinc/34/85/47/134348547.db2.gz QACFGRSIMKXSIY-RYUDHWBXSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C[C@@H]1O ZINC000224545763 134348548 /nfs/dbraw/zinc/34/85/48/134348548.db2.gz QACFGRSIMKXSIY-RYUDHWBXSA-N 2 2 223.320 0.976 20 0 BCADLP [NH3+]CCC[NH+]1CCN(c2ncccc2F)CC1 ZINC000054700353 134389131 /nfs/dbraw/zinc/38/91/31/134389131.db2.gz DDRLJOOOKGMGIT-UHFFFAOYSA-N 2 2 238.310 0.692 20 0 BCADLP Cn1cncc1C[NH2+]C1CC[NH+](C)CC1 ZINC000082395165 134964390 /nfs/dbraw/zinc/96/43/90/134964390.db2.gz WSLPDIVBKDZOEW-UHFFFAOYSA-N 2 2 208.309 0.604 20 0 BCADLP C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000251801944 135077408 /nfs/dbraw/zinc/07/74/08/135077408.db2.gz GIIVLQQOIGBZLR-MXWKQRLJSA-N 2 2 248.392 0.492 20 0 BCADLP C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000251801944 135077410 /nfs/dbraw/zinc/07/74/10/135077410.db2.gz GIIVLQQOIGBZLR-MXWKQRLJSA-N 2 2 248.392 0.492 20 0 BCADLP CC(C)NC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638346 135092236 /nfs/dbraw/zinc/09/22/36/135092236.db2.gz FRUQRZNXSHFWRW-UHFFFAOYSA-N 2 2 215.341 0.428 20 0 BCADLP CC(C)NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638346 135092237 /nfs/dbraw/zinc/09/22/37/135092237.db2.gz FRUQRZNXSHFWRW-UHFFFAOYSA-N 2 2 215.341 0.428 20 0 BCADLP Cc1[nH]ncc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000257764748 135141315 /nfs/dbraw/zinc/14/13/15/135141315.db2.gz ZAAZEKDLPIQTJR-CYBMUJFWSA-N 2 2 249.362 0.198 20 0 BCADLP Cc1[nH]ncc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000257764748 135141317 /nfs/dbraw/zinc/14/13/17/135141317.db2.gz ZAAZEKDLPIQTJR-CYBMUJFWSA-N 2 2 249.362 0.198 20 0 BCADLP c1cncc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000257757892 135141542 /nfs/dbraw/zinc/14/15/42/135141542.db2.gz WZUCYMGKFNIIIJ-AWEZNQCLSA-N 2 2 246.358 0.561 20 0 BCADLP C[N@@H+](Cc1ccc(F)cc1F)C[C@@H](O)C[NH3+] ZINC000259239279 135142022 /nfs/dbraw/zinc/14/20/22/135142022.db2.gz YJBUTYBYXLEYPJ-JTQLQIEISA-N 2 2 230.258 0.716 20 0 BCADLP C[N@H+](Cc1ccc(F)cc1F)C[C@@H](O)C[NH3+] ZINC000259239279 135142023 /nfs/dbraw/zinc/14/20/23/135142023.db2.gz YJBUTYBYXLEYPJ-JTQLQIEISA-N 2 2 230.258 0.716 20 0 BCADLP C[NH2+]CCC[N@H+](C)CC(=O)N1CCCCC1 ZINC000087472704 135142516 /nfs/dbraw/zinc/14/25/16/135142516.db2.gz DALHHPUMEXTOFJ-UHFFFAOYSA-N 2 2 227.352 0.540 20 0 BCADLP C[NH2+]CCC[N@@H+](C)CC(=O)N1CCCCC1 ZINC000087472704 135142517 /nfs/dbraw/zinc/14/25/17/135142517.db2.gz DALHHPUMEXTOFJ-UHFFFAOYSA-N 2 2 227.352 0.540 20 0 BCADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000087472744 135142560 /nfs/dbraw/zinc/14/25/60/135142560.db2.gz MYLXHUGQSMQZOY-SNVBAGLBSA-N 2 2 229.368 0.831 20 0 BCADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000087472744 135142561 /nfs/dbraw/zinc/14/25/61/135142561.db2.gz MYLXHUGQSMQZOY-SNVBAGLBSA-N 2 2 229.368 0.831 20 0 BCADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cncn1C ZINC000261531581 135160698 /nfs/dbraw/zinc/16/06/98/135160698.db2.gz HEAPGEDDDNWJIJ-NSHDSACASA-N 2 2 210.325 0.883 20 0 BCADLP COCC(C)(C)C[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000261532905 135164123 /nfs/dbraw/zinc/16/41/23/135164123.db2.gz APNLZAIDIQBSBZ-JTQLQIEISA-N 2 2 216.325 0.319 20 0 BCADLP COCC(C)(C)C[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000261532905 135164122 /nfs/dbraw/zinc/16/41/22/135164122.db2.gz APNLZAIDIQBSBZ-JTQLQIEISA-N 2 2 216.325 0.319 20 0 BCADLP CCCS(=O)(=O)CC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261533061 135164499 /nfs/dbraw/zinc/16/44/99/135164499.db2.gz GMLDPEWGLZKLPQ-GHMZBOCLSA-N 2 2 248.392 0.480 20 0 BCADLP CCCS(=O)(=O)CC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261533061 135164500 /nfs/dbraw/zinc/16/45/00/135164500.db2.gz GMLDPEWGLZKLPQ-GHMZBOCLSA-N 2 2 248.392 0.480 20 0 BCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261533628 135164840 /nfs/dbraw/zinc/16/48/40/135164840.db2.gz IMXDCSJCXVZFGI-OUAUKWLOSA-N 2 2 227.352 0.522 20 0 BCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261533628 135164841 /nfs/dbraw/zinc/16/48/41/135164841.db2.gz IMXDCSJCXVZFGI-OUAUKWLOSA-N 2 2 227.352 0.522 20 0 BCADLP CCc1nc(N(C)C2C[NH2+]C2)cc(C)[nH+]1 ZINC000261536704 135171937 /nfs/dbraw/zinc/17/19/37/135171937.db2.gz SNWFFLKGCXHQHX-UHFFFAOYSA-N 2 2 206.293 0.755 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+]1CCOCC(F)F ZINC000261537645 135174956 /nfs/dbraw/zinc/17/49/56/135174956.db2.gz VYWMQKLSHQZYHR-MRVPVSSYSA-N 2 2 208.252 0.691 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+]1CCOCC(F)F ZINC000261537645 135174957 /nfs/dbraw/zinc/17/49/57/135174957.db2.gz VYWMQKLSHQZYHR-MRVPVSSYSA-N 2 2 208.252 0.691 20 0 BCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261538386 135176528 /nfs/dbraw/zinc/17/65/28/135176528.db2.gz XXNWTLANMIDMHO-LDYMZIIASA-N 2 2 208.309 0.508 20 0 BCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261538386 135176530 /nfs/dbraw/zinc/17/65/30/135176530.db2.gz XXNWTLANMIDMHO-LDYMZIIASA-N 2 2 208.309 0.508 20 0 BCADLP CC(C)C[C@@H]([NH3+])C(=O)NCc1c[nH+]c[nH]1 ZINC000084081115 135181297 /nfs/dbraw/zinc/18/12/97/135181297.db2.gz XEJQKOPEYARAFB-SECBINFHSA-N 2 2 210.281 0.399 20 0 BCADLP CC(C)C[C@@H]([NH3+])C(=O)NCc1c[nH]c[nH+]1 ZINC000084081115 135181299 /nfs/dbraw/zinc/18/12/99/135181299.db2.gz XEJQKOPEYARAFB-SECBINFHSA-N 2 2 210.281 0.399 20 0 BCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261551305 135189762 /nfs/dbraw/zinc/18/97/62/135189762.db2.gz MBWLVFMXZXENRQ-DGCLKSJQSA-N 2 2 241.379 0.818 20 0 BCADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261551305 135189764 /nfs/dbraw/zinc/18/97/64/135189764.db2.gz MBWLVFMXZXENRQ-DGCLKSJQSA-N 2 2 241.379 0.818 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261551304 135190528 /nfs/dbraw/zinc/19/05/28/135190528.db2.gz MBWLVFMXZXENRQ-AAEUAGOBSA-N 2 2 241.379 0.818 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261551304 135190529 /nfs/dbraw/zinc/19/05/29/135190529.db2.gz MBWLVFMXZXENRQ-AAEUAGOBSA-N 2 2 241.379 0.818 20 0 BCADLP CC(C)(C)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261555212 135195526 /nfs/dbraw/zinc/19/55/26/135195526.db2.gz PLUGSJQMMAYAQB-WDEREUQCSA-N 2 2 239.363 0.442 20 0 BCADLP CC(C)(C)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261555212 135195527 /nfs/dbraw/zinc/19/55/27/135195527.db2.gz PLUGSJQMMAYAQB-WDEREUQCSA-N 2 2 239.363 0.442 20 0 BCADLP CCC[N@H+](CCOCC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000261558195 135198931 /nfs/dbraw/zinc/19/89/31/135198931.db2.gz XZVFNBGJMKCDGQ-LLVKDONJSA-N 3 2 215.341 0.036 20 0 BCADLP CCC[N@@H+](CCOCC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000261558195 135198933 /nfs/dbraw/zinc/19/89/33/135198933.db2.gz XZVFNBGJMKCDGQ-LLVKDONJSA-N 3 2 215.341 0.036 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261561547 135202821 /nfs/dbraw/zinc/20/28/21/135202821.db2.gz ASUDMAJSHJNACP-JQWIXIFHSA-N 2 2 227.352 0.572 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261561547 135202822 /nfs/dbraw/zinc/20/28/22/135202822.db2.gz ASUDMAJSHJNACP-JQWIXIFHSA-N 2 2 227.352 0.572 20 0 BCADLP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261562213 135203666 /nfs/dbraw/zinc/20/36/66/135203666.db2.gz WCPWNXCKOPDZOR-ZDUSSCGKSA-N 2 2 241.379 0.962 20 0 BCADLP CCC(C)(C)NC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261562213 135203667 /nfs/dbraw/zinc/20/36/67/135203667.db2.gz WCPWNXCKOPDZOR-ZDUSSCGKSA-N 2 2 241.379 0.962 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261566653 135208384 /nfs/dbraw/zinc/20/83/84/135208384.db2.gz ZKBIIUQNZIJNRQ-MXWKQRLJSA-N 2 2 237.347 0.195 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261566653 135208385 /nfs/dbraw/zinc/20/83/85/135208385.db2.gz ZKBIIUQNZIJNRQ-MXWKQRLJSA-N 2 2 237.347 0.195 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](CC[C@H]2CCOC2)CCO1 ZINC000261570393 135211798 /nfs/dbraw/zinc/21/17/98/135211798.db2.gz GVOXTHDEROKPGD-QWRGUYRKSA-N 2 2 214.309 0.073 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](CC[C@H]2CCOC2)CCO1 ZINC000261570393 135211799 /nfs/dbraw/zinc/21/17/99/135211799.db2.gz GVOXTHDEROKPGD-QWRGUYRKSA-N 2 2 214.309 0.073 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000261577669 135218925 /nfs/dbraw/zinc/21/89/25/135218925.db2.gz LHHORRUKIZRLLG-XLPZGREQSA-N 2 2 226.242 0.721 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000261577669 135218926 /nfs/dbraw/zinc/21/89/26/135218926.db2.gz LHHORRUKIZRLLG-XLPZGREQSA-N 2 2 226.242 0.721 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261578189 135218994 /nfs/dbraw/zinc/21/89/94/135218994.db2.gz LNTMSIUSRVECQN-QWRGUYRKSA-N 2 2 225.336 0.054 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261578189 135218995 /nfs/dbraw/zinc/21/89/95/135218995.db2.gz LNTMSIUSRVECQN-QWRGUYRKSA-N 2 2 225.336 0.054 20 0 BCADLP Cn1cnnc1[C@@H]1CCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261581880 135222047 /nfs/dbraw/zinc/22/20/47/135222047.db2.gz QWHCUWWMJVSTQR-AAEUAGOBSA-N 2 2 249.362 0.952 20 0 BCADLP Cn1cnnc1[C@@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261581880 135222049 /nfs/dbraw/zinc/22/20/49/135222049.db2.gz QWHCUWWMJVSTQR-AAEUAGOBSA-N 2 2 249.362 0.952 20 0 BCADLP Cn1cnnc1[C@H]1CCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261581883 135222780 /nfs/dbraw/zinc/22/27/80/135222780.db2.gz QWHCUWWMJVSTQR-YPMHNXCESA-N 2 2 249.362 0.952 20 0 BCADLP Cn1cnnc1[C@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261581883 135222782 /nfs/dbraw/zinc/22/27/82/135222782.db2.gz QWHCUWWMJVSTQR-YPMHNXCESA-N 2 2 249.362 0.952 20 0 BCADLP Cn1cncc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261583552 135224029 /nfs/dbraw/zinc/22/40/29/135224029.db2.gz PDLQXIPSMIXKMC-GFCCVEGCSA-N 2 2 220.320 0.606 20 0 BCADLP Cn1cncc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261583552 135224030 /nfs/dbraw/zinc/22/40/30/135224030.db2.gz PDLQXIPSMIXKMC-GFCCVEGCSA-N 2 2 220.320 0.606 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261583552 135224031 /nfs/dbraw/zinc/22/40/31/135224031.db2.gz PDLQXIPSMIXKMC-GFCCVEGCSA-N 2 2 220.320 0.606 20 0 BCADLP CN(C(=O)C[NH2+]CC1([NH3+])CCC1)C1CC1 ZINC000261583548 135224430 /nfs/dbraw/zinc/22/44/30/135224430.db2.gz PDEGNNXFYRZEHH-UHFFFAOYSA-N 2 2 211.309 0.078 20 0 BCADLP Cn1cnnc1[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261591671 135232005 /nfs/dbraw/zinc/23/20/05/135232005.db2.gz XZJFOCFYHPBHDS-NWDGAFQWSA-N 2 2 249.362 0.952 20 0 BCADLP Cn1cnnc1[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261591671 135232006 /nfs/dbraw/zinc/23/20/06/135232006.db2.gz XZJFOCFYHPBHDS-NWDGAFQWSA-N 2 2 249.362 0.952 20 0 BCADLP COc1ccc([C@@H](CO)[N@H+](C)CC[NH3+])cc1 ZINC000261599658 135238030 /nfs/dbraw/zinc/23/80/30/135238030.db2.gz ZWGJCCGNIHTXEA-GFCCVEGCSA-N 2 2 224.304 0.619 20 0 BCADLP COc1ccc([C@@H](CO)[N@@H+](C)CC[NH3+])cc1 ZINC000261599658 135238031 /nfs/dbraw/zinc/23/80/31/135238031.db2.gz ZWGJCCGNIHTXEA-GFCCVEGCSA-N 2 2 224.304 0.619 20 0 BCADLP Cc1nn(C)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261546263 135238468 /nfs/dbraw/zinc/23/84/68/135238468.db2.gz GUGUUWQEVNWYKU-AAEUAGOBSA-N 2 2 234.347 0.912 20 0 BCADLP Cc1nn(C)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261546263 135238469 /nfs/dbraw/zinc/23/84/69/135238469.db2.gz GUGUUWQEVNWYKU-AAEUAGOBSA-N 2 2 234.347 0.912 20 0 BCADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1[nH]cc[nH+]1 ZINC000261656973 135243806 /nfs/dbraw/zinc/24/38/06/135243806.db2.gz DZFFUINCJDXXLA-DTWKUNHWSA-N 2 2 222.292 0.543 20 0 BCADLP C[N@H+](CC(=O)NC1CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000261687735 135245956 /nfs/dbraw/zinc/24/59/56/135245956.db2.gz AUNMFRPHMAETGJ-LBPRGKRZSA-N 2 2 225.336 0.196 20 0 BCADLP C[N@@H+](CC(=O)NC1CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000261687735 135245957 /nfs/dbraw/zinc/24/59/57/135245957.db2.gz AUNMFRPHMAETGJ-LBPRGKRZSA-N 2 2 225.336 0.196 20 0 BCADLP C[N@H+](Cc1cnccn1)C[C@@]1(C)CC[NH2+]C1 ZINC000261695759 135246824 /nfs/dbraw/zinc/24/68/24/135246824.db2.gz BIFXWSKLHQOCJT-LBPRGKRZSA-N 2 2 220.320 0.908 20 0 BCADLP C[N@@H+](Cc1cnccn1)C[C@@]1(C)CC[NH2+]C1 ZINC000261695759 135246825 /nfs/dbraw/zinc/24/68/25/135246825.db2.gz BIFXWSKLHQOCJT-LBPRGKRZSA-N 2 2 220.320 0.908 20 0 BCADLP [NH3+]C1(c2noc(CCn3cc[nH+]c3)n2)CCC1 ZINC000261859018 135258089 /nfs/dbraw/zinc/25/80/89/135258089.db2.gz UEELRYZMYOVNJO-UHFFFAOYSA-N 2 2 233.275 0.847 20 0 BCADLP [NH3+]CC[N@H+](CCO)CCOc1ccc(F)cc1 ZINC000342404624 135271372 /nfs/dbraw/zinc/27/13/72/135271372.db2.gz YFKNYVDSZPJLTQ-UHFFFAOYSA-N 2 2 242.294 0.458 20 0 BCADLP [NH3+]CC[N@@H+](CCO)CCOc1ccc(F)cc1 ZINC000342404624 135271374 /nfs/dbraw/zinc/27/13/74/135271374.db2.gz YFKNYVDSZPJLTQ-UHFFFAOYSA-N 2 2 242.294 0.458 20 0 BCADLP c1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[NH2+]C1)CO2 ZINC000262149965 135282205 /nfs/dbraw/zinc/28/22/05/135282205.db2.gz FXDVHVVEKHJFNJ-RYUDHWBXSA-N 2 2 218.300 0.942 20 0 BCADLP c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)CO2 ZINC000262149968 135282477 /nfs/dbraw/zinc/28/24/77/135282477.db2.gz FXDVHVVEKHJFNJ-VXGBXAGGSA-N 2 2 218.300 0.942 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC[NH+](C)C ZINC000342666328 135308784 /nfs/dbraw/zinc/30/87/84/135308784.db2.gz SEOYSFFYXQXINH-SNVBAGLBSA-N 2 2 239.323 0.132 20 0 BCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000262678850 135312839 /nfs/dbraw/zinc/31/28/39/135312839.db2.gz VDZJLXBVVGKPDU-LLVKDONJSA-N 2 2 248.330 0.373 20 0 BCADLP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000262933070 135324041 /nfs/dbraw/zinc/32/40/41/135324041.db2.gz HZDKAHJXWAWYJX-BXKDBHETSA-N 2 2 236.319 0.934 20 0 BCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000335283306 136000919 /nfs/dbraw/zinc/00/09/19/136000919.db2.gz WYXLXTRTWVPKAN-VHSXEESVSA-N 2 2 234.303 0.463 20 0 BCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335283306 136000920 /nfs/dbraw/zinc/00/09/20/136000920.db2.gz WYXLXTRTWVPKAN-VHSXEESVSA-N 2 2 234.303 0.463 20 0 BCADLP [NH3+]C1(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CCC1 ZINC000335284920 136001956 /nfs/dbraw/zinc/00/19/56/136001956.db2.gz NIKGVHFDJMAFSF-QMMMGPOBSA-N 2 2 247.289 0.229 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2C=C[C@@H](CO)C2)C1 ZINC000348182975 136043671 /nfs/dbraw/zinc/04/36/71/136043671.db2.gz MSDBJWGFSYCCNF-QNWHQSFQSA-N 2 2 224.348 0.853 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2C=C[C@@H](CO)C2)C1 ZINC000348182975 136043672 /nfs/dbraw/zinc/04/36/72/136043672.db2.gz MSDBJWGFSYCCNF-QNWHQSFQSA-N 2 2 224.348 0.853 20 0 BCADLP CC[C@](C)(O)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166130503 136077804 /nfs/dbraw/zinc/07/78/04/136077804.db2.gz SQDOTCYXAHYHHO-UTUOFQBUSA-N 2 2 230.352 0.504 20 0 BCADLP [NH3+]CC[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000335393398 136091780 /nfs/dbraw/zinc/09/17/80/136091780.db2.gz CNLXDKFMAXHMHF-ZYHUDNBSSA-N 2 2 237.347 0.420 20 0 BCADLP [NH3+]CC[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000335393398 136091781 /nfs/dbraw/zinc/09/17/81/136091781.db2.gz CNLXDKFMAXHMHF-ZYHUDNBSSA-N 2 2 237.347 0.420 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335399130 136093840 /nfs/dbraw/zinc/09/38/40/136093840.db2.gz LQSIQHNSTJGSAA-KOLCDFICSA-N 2 2 211.309 0.986 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335399130 136093841 /nfs/dbraw/zinc/09/38/41/136093841.db2.gz LQSIQHNSTJGSAA-KOLCDFICSA-N 2 2 211.309 0.986 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335570394 136109315 /nfs/dbraw/zinc/10/93/15/136109315.db2.gz OBZJREFJAAHDGI-CYBMUJFWSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335570394 136109316 /nfs/dbraw/zinc/10/93/16/136109316.db2.gz OBZJREFJAAHDGI-CYBMUJFWSA-N 2 2 234.347 0.948 20 0 BCADLP C[C@@H](C[NH2+]CC[C@H]1CCOC1)[NH+](C)C ZINC000308686369 397836877 /nfs/dbraw/zinc/83/68/77/397836877.db2.gz ZQRAQDPZUKQYNY-QWRGUYRKSA-N 2 2 200.326 0.953 20 0 BCADLP Cn1c[nH+]cc1CN1CC[NH+](C2CC2)CC1 ZINC000177025300 397840263 /nfs/dbraw/zinc/84/02/63/397840263.db2.gz CVNJFMJVZBHQNW-UHFFFAOYSA-N 2 2 220.320 0.700 20 0 BCADLP Cc1nc(NC[C@@H]2CCC[N@@H+](C)C2)nc(N)[nH+]1 ZINC000302637283 397957377 /nfs/dbraw/zinc/95/73/77/397957377.db2.gz RZENCPAGIVGUTP-VIFPVBQESA-N 2 2 236.323 0.516 20 0 BCADLP Cc1nc(NC[C@@H]2CCC[N@H+](C)C2)nc(N)[nH+]1 ZINC000302637283 397957378 /nfs/dbraw/zinc/95/73/78/397957378.db2.gz RZENCPAGIVGUTP-VIFPVBQESA-N 2 2 236.323 0.516 20 0 BCADLP Cc1nc(N)nc(NC[C@@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000302637283 397957379 /nfs/dbraw/zinc/95/73/79/397957379.db2.gz RZENCPAGIVGUTP-VIFPVBQESA-N 2 2 236.323 0.516 20 0 BCADLP Cc1nc(N)nc(NC[C@@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000302637283 397957380 /nfs/dbraw/zinc/95/73/80/397957380.db2.gz RZENCPAGIVGUTP-VIFPVBQESA-N 2 2 236.323 0.516 20 0 BCADLP O=C1OCC[C@H]2CC[N@H+](CCCn3cc[nH+]c3)[C@H]12 ZINC000364338976 397895464 /nfs/dbraw/zinc/89/54/64/397895464.db2.gz BZDPDYAHAJOMBH-NEPJUHHUSA-N 2 2 249.314 0.911 20 0 BCADLP O=C1OCC[C@H]2CC[N@@H+](CCCn3cc[nH+]c3)[C@H]12 ZINC000364338976 397895466 /nfs/dbraw/zinc/89/54/66/397895466.db2.gz BZDPDYAHAJOMBH-NEPJUHHUSA-N 2 2 249.314 0.911 20 0 BCADLP COCC[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000082668954 397995479 /nfs/dbraw/zinc/99/54/79/397995479.db2.gz FIYAIIZSMNRWPI-NWDGAFQWSA-N 2 2 229.368 0.247 20 0 BCADLP COCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000082668954 397995484 /nfs/dbraw/zinc/99/54/84/397995484.db2.gz FIYAIIZSMNRWPI-NWDGAFQWSA-N 2 2 229.368 0.247 20 0 BCADLP C[NH2+]CC[NH2+]Cc1cc2c(c(OC)c1)OCO2 ZINC000414824229 398045650 /nfs/dbraw/zinc/04/56/50/398045650.db2.gz QKSKAZIVKWEYMB-UHFFFAOYSA-N 2 2 238.287 0.733 20 0 BCADLP Cc1nc(N2CCC[N@H+](CCO)CC2)cc[nH+]1 ZINC000071349738 398012641 /nfs/dbraw/zinc/01/26/41/398012641.db2.gz VJNJVMSXSSCHMV-UHFFFAOYSA-N 2 2 236.319 0.289 20 0 BCADLP Cc1nc(N2CCC[N@@H+](CCO)CC2)cc[nH+]1 ZINC000071349738 398012643 /nfs/dbraw/zinc/01/26/43/398012643.db2.gz VJNJVMSXSSCHMV-UHFFFAOYSA-N 2 2 236.319 0.289 20 0 BCADLP CC[NH2+]CC[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC000414823289 398047203 /nfs/dbraw/zinc/04/72/03/398047203.db2.gz ICGVWQDQVUZCBN-UHFFFAOYSA-N 2 2 225.292 0.500 20 0 BCADLP CC[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC000637809974 398023612 /nfs/dbraw/zinc/02/36/12/398023612.db2.gz YYSAGDYNAYSSBL-UHFFFAOYSA-N 2 2 224.308 0.376 20 0 BCADLP CC[NH2+]CCCNC(=O)Cc1[nH+]c[nH]c1C ZINC000637809974 398023618 /nfs/dbraw/zinc/02/36/18/398023618.db2.gz YYSAGDYNAYSSBL-UHFFFAOYSA-N 2 2 224.308 0.376 20 0 BCADLP C[C@H]([NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000083909159 398035742 /nfs/dbraw/zinc/03/57/42/398035742.db2.gz RJBGDSFNXYARPV-QMMMGPOBSA-N 2 2 218.260 0.298 20 0 BCADLP COC[C@H]1C[C@@H](O)C[N@H+]1CCc1c[nH+]cn1C ZINC000649764814 398092716 /nfs/dbraw/zinc/09/27/16/398092716.db2.gz QKOFTKPFTHNLSI-VXGBXAGGSA-N 2 2 239.319 0.044 20 0 BCADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]CC1CC1 ZINC000449398808 398068634 /nfs/dbraw/zinc/06/86/34/398068634.db2.gz YYLWHHUUZFUBJG-LBPRGKRZSA-N 2 2 212.337 0.833 20 0 BCADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]CC1CC1 ZINC000449398808 398068636 /nfs/dbraw/zinc/06/86/36/398068636.db2.gz YYLWHHUUZFUBJG-LBPRGKRZSA-N 2 2 212.337 0.833 20 0 BCADLP CC[C@](C)([NH3+])c1cn(Cc2c[nH+]cn2C)nn1 ZINC000384214550 398075523 /nfs/dbraw/zinc/07/55/23/398075523.db2.gz PZVOMIOHEPUIGU-NSHDSACASA-N 2 2 234.307 0.644 20 0 BCADLP CCn1ncnc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228544399 398094146 /nfs/dbraw/zinc/09/41/46/398094146.db2.gz PWHPVTCKANXMTJ-QJPTWQEYSA-N 2 2 249.362 0.857 20 0 BCADLP CCn1ncnc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228544399 398094149 /nfs/dbraw/zinc/09/41/49/398094149.db2.gz PWHPVTCKANXMTJ-QJPTWQEYSA-N 2 2 249.362 0.857 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000389524915 398110369 /nfs/dbraw/zinc/11/03/69/398110369.db2.gz HPBWBZGOUYEZKC-QWRGUYRKSA-N 2 2 225.336 0.339 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000389524915 398110370 /nfs/dbraw/zinc/11/03/70/398110370.db2.gz HPBWBZGOUYEZKC-QWRGUYRKSA-N 2 2 225.336 0.339 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]Cc2cc[nH]n2)CC[N@@H+]1C ZINC000090720719 398111516 /nfs/dbraw/zinc/11/15/16/398111516.db2.gz AXSYBELEZURMFE-NXEZZACHSA-N 2 2 208.309 0.982 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]Cc2cc[nH]n2)CC[N@H+]1C ZINC000090720719 398111518 /nfs/dbraw/zinc/11/15/18/398111518.db2.gz AXSYBELEZURMFE-NXEZZACHSA-N 2 2 208.309 0.982 20 0 BCADLP C[C@@H](C[NH2+][C@@H](C)C(C)(C)n1cncn1)[NH+](C)C ZINC000340474719 398129516 /nfs/dbraw/zinc/12/95/16/398129516.db2.gz URJUMWNIJNPYFU-QWRGUYRKSA-N 2 2 239.367 0.941 20 0 BCADLP CC(C)[C@@H]([NH3+])CNC(=O)CCn1cc[nH+]c1 ZINC000070010024 398122454 /nfs/dbraw/zinc/12/24/54/398122454.db2.gz UOGGOXSEXFSFPE-JTQLQIEISA-N 2 2 224.308 0.373 20 0 BCADLP COCCOCC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000070028336 174353936 /nfs/dbraw/zinc/35/39/36/174353936.db2.gz WZBUWKHZICSMFU-SNVBAGLBSA-N 2 2 202.298 0.073 20 0 BCADLP COCCOCC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000070028336 174353937 /nfs/dbraw/zinc/35/39/37/174353937.db2.gz WZBUWKHZICSMFU-SNVBAGLBSA-N 2 2 202.298 0.073 20 0 BCADLP CN(C)c1cc[nH+]c(NC(=O)C[NH+](C)C)c1 ZINC000680325224 487561660 /nfs/dbraw/zinc/56/16/60/487561660.db2.gz WLKCAJDJVKKJTI-UHFFFAOYSA-N 2 2 222.292 0.648 20 0 BCADLP O=C1NCC[C@H]1[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676240283 487567570 /nfs/dbraw/zinc/56/75/70/487567570.db2.gz KYMGYKQEYIMZPC-WDEREUQCSA-N 2 2 234.303 0.409 20 0 BCADLP O=C1NCC[C@H]1[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676240283 487567577 /nfs/dbraw/zinc/56/75/77/487567577.db2.gz KYMGYKQEYIMZPC-WDEREUQCSA-N 2 2 234.303 0.409 20 0 BCADLP CCNC(=O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000393769505 487581394 /nfs/dbraw/zinc/58/13/94/487581394.db2.gz DXFWWOHVMZZWLQ-UHFFFAOYSA-N 2 2 225.336 0.339 20 0 BCADLP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000337346117 167255168 /nfs/dbraw/zinc/25/51/68/167255168.db2.gz VUYIEMPJUIZNOB-CHWSQXEVSA-N 2 2 243.395 0.635 20 0 BCADLP CCn1cc[nH+]c1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000082304027 487590701 /nfs/dbraw/zinc/59/07/01/487590701.db2.gz QWDCIBORUDPATQ-GHMZBOCLSA-N 2 2 220.320 0.554 20 0 BCADLP c1cc(C[NH2+][C@@H]2CC[NH2+]C2)c2c(c1)C[NH2+]CC2 ZINC000662263670 409560181 /nfs/dbraw/zinc/56/01/81/409560181.db2.gz CVWFGJZZKSPRKX-CYBMUJFWSA-N 3 2 231.343 0.784 20 0 BCADLP CO[C@@H](C[N@@H+]1CCO[C@H](C[NH3+])C1)C1CCCC1 ZINC000662266537 409566934 /nfs/dbraw/zinc/56/69/34/409566934.db2.gz MXKXCXGOIWMNTK-OLZOCXBDSA-N 2 2 242.363 0.851 20 0 BCADLP CO[C@@H](C[N@H+]1CCO[C@H](C[NH3+])C1)C1CCCC1 ZINC000662266537 409566936 /nfs/dbraw/zinc/56/69/36/409566936.db2.gz MXKXCXGOIWMNTK-OLZOCXBDSA-N 2 2 242.363 0.851 20 0 BCADLP FC1(F)C[C@H]1OCC[N@@H+]1CCC[NH2+]CC1 ZINC000662241920 409529488 /nfs/dbraw/zinc/52/94/88/409529488.db2.gz YPGSMKCHNGDXDQ-SECBINFHSA-N 2 2 220.263 0.706 20 0 BCADLP FC1(F)C[C@H]1OCC[N@H+]1CCC[NH2+]CC1 ZINC000662241920 409529495 /nfs/dbraw/zinc/52/94/95/409529495.db2.gz YPGSMKCHNGDXDQ-SECBINFHSA-N 2 2 220.263 0.706 20 0 BCADLP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ncn1 ZINC000662243206 409535674 /nfs/dbraw/zinc/53/56/74/409535674.db2.gz GQYLULQXQOTHBN-JOYOIKCWSA-N 2 2 220.320 0.954 20 0 BCADLP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ncn1 ZINC000662243206 409535679 /nfs/dbraw/zinc/53/56/79/409535679.db2.gz GQYLULQXQOTHBN-JOYOIKCWSA-N 2 2 220.320 0.954 20 0 BCADLP CCCCC[N@H+](CCO)C[C@H]1C[NH2+]CCO1 ZINC000662249537 409548631 /nfs/dbraw/zinc/54/86/31/409548631.db2.gz WNOHFGQPUKFDHH-GFCCVEGCSA-N 2 2 230.352 0.459 20 0 BCADLP CCCCC[N@@H+](CCO)C[C@H]1C[NH2+]CCO1 ZINC000662249537 409548642 /nfs/dbraw/zinc/54/86/42/409548642.db2.gz WNOHFGQPUKFDHH-GFCCVEGCSA-N 2 2 230.352 0.459 20 0 BCADLP C[C@@H]1CSCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653090427 409631249 /nfs/dbraw/zinc/63/12/49/409631249.db2.gz PCVRFFANIVYOLU-NXEZZACHSA-N 2 2 245.392 0.229 20 0 BCADLP CC[C@@H]1CCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653076805 409591393 /nfs/dbraw/zinc/59/13/93/409591393.db2.gz GCTWTVQMEJMVJB-GHMZBOCLSA-N 2 2 227.352 0.666 20 0 BCADLP CCC[C@H](CC)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653081562 409600708 /nfs/dbraw/zinc/60/07/08/409600708.db2.gz SQXIIVYOIWZSFE-QWRGUYRKSA-N 2 2 229.368 0.960 20 0 BCADLP COC[C@H]1CCCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662280874 409600839 /nfs/dbraw/zinc/60/08/39/409600839.db2.gz GOKCWKAZMBTJAE-QWHCGFSZSA-N 2 2 242.363 0.723 20 0 BCADLP COC[C@H]1CCCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662280874 409600840 /nfs/dbraw/zinc/60/08/40/409600840.db2.gz GOKCWKAZMBTJAE-QWHCGFSZSA-N 2 2 242.363 0.723 20 0 BCADLP C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H]1C ZINC000653083433 409606512 /nfs/dbraw/zinc/60/65/12/409606512.db2.gz YWIYJKZKIDVHEZ-WOPDTQHZSA-N 2 2 241.379 0.912 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000662282362 409607080 /nfs/dbraw/zinc/60/70/80/409607080.db2.gz GYIGKQBBXYSTCK-UTUOFQBUSA-N 2 2 226.320 0.086 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000662282362 409607089 /nfs/dbraw/zinc/60/70/89/409607089.db2.gz GYIGKQBBXYSTCK-UTUOFQBUSA-N 2 2 226.320 0.086 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCCS1 ZINC000653092334 409675536 /nfs/dbraw/zinc/67/55/36/409675536.db2.gz ZJEYZUYMLKSUQE-NXEZZACHSA-N 2 2 245.392 0.277 20 0 BCADLP C[C@H](CC(=O)NC[C@H](C)[NH3+])n1cc[nH+]c1 ZINC000653136279 409856580 /nfs/dbraw/zinc/85/65/80/409856580.db2.gz ITHZVHIBCXKDLE-DTWKUNHWSA-N 2 2 210.281 0.298 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653123910 409834568 /nfs/dbraw/zinc/83/45/68/409834568.db2.gz LANFXBGVHRPSKY-SNVBAGLBSA-N 2 2 236.319 0.724 20 0 BCADLP [NH3+]C1(CC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000662691652 409839178 /nfs/dbraw/zinc/83/91/78/409839178.db2.gz KQGRJGREKWCGDR-JTQLQIEISA-N 2 2 248.330 0.997 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccccc1O ZINC000653130049 409844883 /nfs/dbraw/zinc/84/48/83/409844883.db2.gz SUTOPLZNDDOFSR-SECBINFHSA-N 2 2 237.303 0.610 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccnc1 ZINC000653105451 409796739 /nfs/dbraw/zinc/79/67/39/409796739.db2.gz WIOCTMQAQKNRQW-JTQLQIEISA-N 2 2 222.292 0.299 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCCC1 ZINC000653104233 409797194 /nfs/dbraw/zinc/79/71/94/409797194.db2.gz CPQRFXODYZYMDU-JTQLQIEISA-N 2 2 213.325 0.278 20 0 BCADLP CN(Cc1c[nH+]cn1C)C1CC[NH2+]CC1 ZINC000085191635 409915406 /nfs/dbraw/zinc/91/54/06/409915406.db2.gz NJPYPMBIVNCKOX-UHFFFAOYSA-N 2 2 208.309 0.604 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H](C)N1Cc1c[nH+]cn1C ZINC000085191643 409915784 /nfs/dbraw/zinc/91/57/84/409915784.db2.gz PJVDROQTKKZENZ-AOOOYVTPSA-N 2 2 208.309 0.602 20 0 BCADLP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@@H]1C ZINC000653150447 409875382 /nfs/dbraw/zinc/87/53/82/409875382.db2.gz BKOKXSYFUJCQDB-WOPDTQHZSA-N 2 2 241.379 0.770 20 0 BCADLP C[NH+](C)CC(C)(C)[NH2+]CC[C@@H]1CCNC1=O ZINC000308632270 409895765 /nfs/dbraw/zinc/89/57/65/409895765.db2.gz QEXFEFUIGHNENL-JTQLQIEISA-N 2 2 227.352 0.442 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)CC[NH3+] ZINC000662899281 409973431 /nfs/dbraw/zinc/97/34/31/409973431.db2.gz FWSOTYOKSLYWBW-QMMMGPOBSA-N 2 2 210.281 0.429 20 0 BCADLP C[NH2+]CCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662933183 409980386 /nfs/dbraw/zinc/98/03/86/409980386.db2.gz IBJPHEBNBXSHQO-QMMMGPOBSA-N 2 2 210.281 0.207 20 0 BCADLP Clc1cnn(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000312896196 409986893 /nfs/dbraw/zinc/98/68/93/409986893.db2.gz FOCQAGZSUSRGPX-AOOOYVTPSA-N 2 2 240.738 0.688 20 0 BCADLP Clc1cnn(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000312896196 409986896 /nfs/dbraw/zinc/98/68/96/409986896.db2.gz FOCQAGZSUSRGPX-AOOOYVTPSA-N 2 2 240.738 0.688 20 0 BCADLP Clc1cnn(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000312896197 409987131 /nfs/dbraw/zinc/98/71/31/409987131.db2.gz FOCQAGZSUSRGPX-NXEZZACHSA-N 2 2 240.738 0.688 20 0 BCADLP COc1ncncc1C[NH2+]CCC[NH+](C)C ZINC000647166859 410045961 /nfs/dbraw/zinc/04/59/61/410045961.db2.gz GVDVDBAOXGMMLG-UHFFFAOYSA-N 2 2 224.308 0.527 20 0 BCADLP CN(CCC1CC1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653157875 410002490 /nfs/dbraw/zinc/00/24/90/410002490.db2.gz OUNRMVZCARSSDN-NSHDSACASA-N 2 2 227.352 0.524 20 0 BCADLP CN(CCC1CC1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653157874 410002644 /nfs/dbraw/zinc/00/26/44/410002644.db2.gz OUNRMVZCARSSDN-LLVKDONJSA-N 2 2 227.352 0.524 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC=CCC1 ZINC000653174575 410149948 /nfs/dbraw/zinc/14/99/48/410149948.db2.gz YKBFSZMYPPARKU-GHMZBOCLSA-N 2 2 225.336 0.490 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC=CCC1 ZINC000653174576 410150307 /nfs/dbraw/zinc/15/03/07/410150307.db2.gz YKBFSZMYPPARKU-MNOVXSKESA-N 2 2 225.336 0.490 20 0 BCADLP C[NH+](C)[C@H]1CCCN(Cc2c[nH+]c[nH]2)C1 ZINC000092938500 410102407 /nfs/dbraw/zinc/10/24/07/410102407.db2.gz LYROFTCIIQOHSA-NSHDSACASA-N 2 2 208.309 0.936 20 0 BCADLP C[NH+](C)[C@H]1CCCN(Cc2c[nH]c[nH+]2)C1 ZINC000092938500 410102413 /nfs/dbraw/zinc/10/24/13/410102413.db2.gz LYROFTCIIQOHSA-NSHDSACASA-N 2 2 208.309 0.936 20 0 BCADLP Cc1ccc(NC(=O)COCC[NH3+])c(C)[nH+]1 ZINC000087152334 487613622 /nfs/dbraw/zinc/61/36/22/487613622.db2.gz BPMPQBIPPRPXMG-UHFFFAOYSA-N 2 2 223.276 0.612 20 0 BCADLP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655415458 410218757 /nfs/dbraw/zinc/21/87/57/410218757.db2.gz NVXFCAOGUZMALW-NXEZZACHSA-N 2 2 236.319 0.251 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655451520 410283555 /nfs/dbraw/zinc/28/35/55/410283555.db2.gz RWHWWYQDAYRIQI-ZWNOBZJWSA-N 2 2 248.330 0.724 20 0 BCADLP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1CCc2[nH+]ccn2C1 ZINC000655416245 410220861 /nfs/dbraw/zinc/22/08/61/410220861.db2.gz MSEFNYWFOBPSCB-QWRGUYRKSA-N 2 2 248.330 0.314 20 0 BCADLP CC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655416363 410221048 /nfs/dbraw/zinc/22/10/48/410221048.db2.gz QTMBUDDKTPAIIM-JTQLQIEISA-N 2 2 236.319 0.171 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](CO)C1 ZINC000314562880 410387979 /nfs/dbraw/zinc/38/79/79/410387979.db2.gz MAUZPUSCCOAJDK-LLVKDONJSA-N 2 2 223.320 0.667 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](CO)C1 ZINC000314562880 410387985 /nfs/dbraw/zinc/38/79/85/410387985.db2.gz MAUZPUSCCOAJDK-LLVKDONJSA-N 2 2 223.320 0.667 20 0 BCADLP CC(C)([NH3+])C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000169811044 410465269 /nfs/dbraw/zinc/46/52/69/410465269.db2.gz ZHLYTKQOHNFYQJ-UHFFFAOYSA-N 2 2 236.319 0.853 20 0 BCADLP CCC[N@H+](CC(=O)NC)Cc1c[nH+]c(C)n1C ZINC000667544101 487616611 /nfs/dbraw/zinc/61/66/11/487616611.db2.gz WAQBZYAKWHRTTO-UHFFFAOYSA-N 2 2 238.335 0.687 20 0 BCADLP CCC[N@@H+](CC(=O)NC)Cc1c[nH+]c(C)n1C ZINC000667544101 487616613 /nfs/dbraw/zinc/61/66/13/487616613.db2.gz WAQBZYAKWHRTTO-UHFFFAOYSA-N 2 2 238.335 0.687 20 0 BCADLP CN(CC1C[NH+](C)C1)c1[nH+]cnc2c1cnn2C ZINC000664332579 410556979 /nfs/dbraw/zinc/55/69/79/410556979.db2.gz XKXDIXAEUFGJQU-UHFFFAOYSA-N 2 2 246.318 0.361 20 0 BCADLP CC[C@@H]([NH3+])CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655465348 410664914 /nfs/dbraw/zinc/66/49/14/410664914.db2.gz FKVTWRTZDNKYFH-VHSXEESVSA-N 2 2 236.319 0.299 20 0 BCADLP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655466735 410667820 /nfs/dbraw/zinc/66/78/20/410667820.db2.gz UCNMHBFADNRJDE-LPEHRKFASA-N 2 2 236.319 0.297 20 0 BCADLP CC(C)(C)[NH2+]CC[NH+]1CCC(CC(N)=O)CC1 ZINC000042438705 166632121 /nfs/dbraw/zinc/63/21/21/166632121.db2.gz NAEGZGWFJGWVHP-UHFFFAOYSA-N 2 2 241.379 0.962 20 0 BCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH+](C)C ZINC000665110588 410693267 /nfs/dbraw/zinc/69/32/67/410693267.db2.gz IOFFTFLKFFBCCY-NXEZZACHSA-N 2 2 236.319 0.201 20 0 BCADLP Cc1cncc(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000665273999 410743466 /nfs/dbraw/zinc/74/34/66/410743466.db2.gz HGWXERUNWUKABW-GXFFZTMASA-N 2 2 234.347 0.915 20 0 BCADLP O=C(NCc1c[nH+]c[nH]1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655469392 410682412 /nfs/dbraw/zinc/68/24/12/410682412.db2.gz VDXPDVSSFCFRSF-CMPLNLGQSA-N 2 2 234.303 0.416 20 0 BCADLP O=C(NCc1c[nH]c[nH+]1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655469392 410682420 /nfs/dbraw/zinc/68/24/20/410682420.db2.gz VDXPDVSSFCFRSF-CMPLNLGQSA-N 2 2 234.303 0.416 20 0 BCADLP O=C(NCc1c[nH+]c[nH]1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655469395 410682532 /nfs/dbraw/zinc/68/25/32/410682532.db2.gz VDXPDVSSFCFRSF-ZYHUDNBSSA-N 2 2 234.303 0.416 20 0 BCADLP O=C(NCc1c[nH]c[nH+]1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655469395 410682540 /nfs/dbraw/zinc/68/25/40/410682540.db2.gz VDXPDVSSFCFRSF-ZYHUDNBSSA-N 2 2 234.303 0.416 20 0 BCADLP CC(C)C[C@@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000041051035 410903847 /nfs/dbraw/zinc/90/38/47/410903847.db2.gz ZQGWFZXBTHYSAL-SNVBAGLBSA-N 2 2 224.308 0.373 20 0 BCADLP CC(C)[NH2+]CC[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000367462097 167107600 /nfs/dbraw/zinc/10/76/00/167107600.db2.gz CUDOTFZGOCTKHS-WCQYABFASA-N 2 2 239.363 0.631 20 0 BCADLP CC(C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000052377729 167114077 /nfs/dbraw/zinc/11/40/77/167114077.db2.gz QDHPXVXSMPLISB-NSHDSACASA-N 2 2 200.326 0.953 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000309253489 410912231 /nfs/dbraw/zinc/91/22/31/410912231.db2.gz FUJGMQVQWWPXOM-VIFPVBQESA-N 2 2 209.297 0.262 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000309253489 410912233 /nfs/dbraw/zinc/91/22/33/410912233.db2.gz FUJGMQVQWWPXOM-VIFPVBQESA-N 2 2 209.297 0.262 20 0 BCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050247457 167373796 /nfs/dbraw/zinc/37/37/96/167373796.db2.gz LEWMPFMFRGLTAL-GHMZBOCLSA-N 2 2 227.352 0.428 20 0 BCADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050247457 167373800 /nfs/dbraw/zinc/37/38/00/167373800.db2.gz LEWMPFMFRGLTAL-GHMZBOCLSA-N 2 2 227.352 0.428 20 0 BCADLP CC(C)[C@@H](C[NH3+])C(=O)NCCc1[nH]cc[nH+]1 ZINC000125029403 167394725 /nfs/dbraw/zinc/39/47/25/167394725.db2.gz RYSVYXZKWPJTDD-SECBINFHSA-N 2 2 224.308 0.299 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)CCF)C[N@@H+]1C1CC1 ZINC000652018505 410991793 /nfs/dbraw/zinc/99/17/93/410991793.db2.gz VELLQCXNAFLQBY-VWYCJHECSA-N 2 2 230.327 0.922 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)CCF)C[N@H+]1C1CC1 ZINC000652018505 410991799 /nfs/dbraw/zinc/99/17/99/410991799.db2.gz VELLQCXNAFLQBY-VWYCJHECSA-N 2 2 230.327 0.922 20 0 BCADLP [NH3+][C@H](C(=O)NCc1c[nH+]c[nH]1)C1CCC1 ZINC000399021439 411008143 /nfs/dbraw/zinc/00/81/43/411008143.db2.gz IDPNGITVCOZRKS-VIFPVBQESA-N 2 2 208.265 0.153 20 0 BCADLP [NH3+][C@H](C(=O)NCc1c[nH]c[nH+]1)C1CCC1 ZINC000399021439 411008148 /nfs/dbraw/zinc/00/81/48/411008148.db2.gz IDPNGITVCOZRKS-VIFPVBQESA-N 2 2 208.265 0.153 20 0 BCADLP CC(C)[C@@H](C(=O)NCCn1cc[nH+]c1)[C@H](C)[NH3+] ZINC000399357361 411035435 /nfs/dbraw/zinc/03/54/35/411035435.db2.gz AEEHECLFZDJOOQ-WDEREUQCSA-N 2 2 238.335 0.619 20 0 BCADLP Cc1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)nc(C)[nH+]1 ZINC000651452770 411035988 /nfs/dbraw/zinc/03/59/88/411035988.db2.gz YVSFFKQWQQVBEF-GFCCVEGCSA-N 2 2 248.330 0.349 20 0 BCADLP Cc1cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)nc(C)[nH+]1 ZINC000651452770 411035992 /nfs/dbraw/zinc/03/59/92/411035992.db2.gz YVSFFKQWQQVBEF-GFCCVEGCSA-N 2 2 248.330 0.349 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000651939648 411155124 /nfs/dbraw/zinc/15/51/24/411155124.db2.gz LZKXUOFQQVPNFN-GUDRVLHUSA-N 2 2 237.347 0.323 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000651939648 411155128 /nfs/dbraw/zinc/15/51/28/411155128.db2.gz LZKXUOFQQVPNFN-GUDRVLHUSA-N 2 2 237.347 0.323 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)C[N@@H+]1C1CC1 ZINC000651940050 411155517 /nfs/dbraw/zinc/15/55/17/411155517.db2.gz ZKZTXFYIMIXBMM-CHWFTXMASA-N 2 2 237.347 0.465 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)C[N@H+]1C1CC1 ZINC000651940050 411155521 /nfs/dbraw/zinc/15/55/21/411155521.db2.gz ZKZTXFYIMIXBMM-CHWFTXMASA-N 2 2 237.347 0.465 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1[C@H](C)C[C@@H]1C ZINC000653650435 411157112 /nfs/dbraw/zinc/15/71/12/411157112.db2.gz AKMIJMGEAGZZAL-GRYCIOLGSA-N 2 2 230.352 0.408 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1[C@H](C)C[C@@H]1C ZINC000653650435 411157115 /nfs/dbraw/zinc/15/71/15/411157115.db2.gz AKMIJMGEAGZZAL-GRYCIOLGSA-N 2 2 230.352 0.408 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1[C@H](C)C[C@@H]1C ZINC000653650435 411157119 /nfs/dbraw/zinc/15/71/19/411157119.db2.gz AKMIJMGEAGZZAL-GRYCIOLGSA-N 2 2 230.352 0.408 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000653650435 411157123 /nfs/dbraw/zinc/15/71/23/411157123.db2.gz AKMIJMGEAGZZAL-GRYCIOLGSA-N 2 2 230.352 0.408 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC[C@@]1(O)CCOC1 ZINC000651943184 411157224 /nfs/dbraw/zinc/15/72/24/411157224.db2.gz IXOQYBATFAZRBF-IJLUTSLNSA-N 2 2 228.336 0.068 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC[C@@]1(O)CCOC1 ZINC000651943184 411157226 /nfs/dbraw/zinc/15/72/26/411157226.db2.gz IXOQYBATFAZRBF-IJLUTSLNSA-N 2 2 228.336 0.068 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000657898782 411158524 /nfs/dbraw/zinc/15/85/24/411158524.db2.gz FSHQSTOUDYGEQB-RYUDHWBXSA-N 2 2 237.351 0.598 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000657898782 411158530 /nfs/dbraw/zinc/15/85/30/411158530.db2.gz FSHQSTOUDYGEQB-RYUDHWBXSA-N 2 2 237.351 0.598 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@](F)(CO)C1 ZINC000653664257 411161403 /nfs/dbraw/zinc/16/14/03/411161403.db2.gz OAJLYWYRIHSEJC-GFCCVEGCSA-N 2 2 241.310 0.759 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@](F)(CO)C1 ZINC000653664257 411161404 /nfs/dbraw/zinc/16/14/04/411161404.db2.gz OAJLYWYRIHSEJC-GFCCVEGCSA-N 2 2 241.310 0.759 20 0 BCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000659554365 411161739 /nfs/dbraw/zinc/16/17/39/411161739.db2.gz FWTCENLKGRGEHW-IUCAKERBSA-N 2 2 239.323 0.677 20 0 BCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000659554365 411161744 /nfs/dbraw/zinc/16/17/44/411161744.db2.gz FWTCENLKGRGEHW-IUCAKERBSA-N 2 2 239.323 0.677 20 0 BCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000659554363 411161805 /nfs/dbraw/zinc/16/18/05/411161805.db2.gz FWTCENLKGRGEHW-DTWKUNHWSA-N 2 2 239.323 0.677 20 0 BCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000659554363 411161809 /nfs/dbraw/zinc/16/18/09/411161809.db2.gz FWTCENLKGRGEHW-DTWKUNHWSA-N 2 2 239.323 0.677 20 0 BCADLP C[N@@H+](CC(=O)N1CCCC1)C[C@@H]1CCC[NH2+]C1 ZINC000043493528 411118391 /nfs/dbraw/zinc/11/83/91/411118391.db2.gz ZRUDMMVEXQHUCT-GFCCVEGCSA-N 2 2 239.363 0.540 20 0 BCADLP C[N@H+](CC(=O)N1CCCC1)C[C@@H]1CCC[NH2+]C1 ZINC000043493528 411118393 /nfs/dbraw/zinc/11/83/93/411118393.db2.gz ZRUDMMVEXQHUCT-GFCCVEGCSA-N 2 2 239.363 0.540 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@H+](CCc2cccnc2)CCO1 ZINC000123844763 411175669 /nfs/dbraw/zinc/17/56/69/411175669.db2.gz ZPPSQLXPJRPSFJ-WCQYABFASA-N 2 2 235.331 0.672 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCc2cccnc2)CCO1 ZINC000123844763 411175672 /nfs/dbraw/zinc/17/56/72/411175672.db2.gz ZPPSQLXPJRPSFJ-WCQYABFASA-N 2 2 235.331 0.672 20 0 BCADLP Cn1c[nH+]cc1CCCN1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000653694431 411185720 /nfs/dbraw/zinc/18/57/20/411185720.db2.gz DUHJSOWOBXTEPE-OCCSQVGLSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1c[nH+]cc1CCCN1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000653694431 411185721 /nfs/dbraw/zinc/18/57/21/411185721.db2.gz DUHJSOWOBXTEPE-OCCSQVGLSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H]2CN(C)C[C@@H]21 ZINC000653694431 411185722 /nfs/dbraw/zinc/18/57/22/411185722.db2.gz DUHJSOWOBXTEPE-OCCSQVGLSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H]2CN(C)C[C@@H]21 ZINC000653694431 411185724 /nfs/dbraw/zinc/18/57/24/411185724.db2.gz DUHJSOWOBXTEPE-OCCSQVGLSA-N 2 2 248.374 0.989 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC(C(C)C)C1 ZINC000656151891 411187635 /nfs/dbraw/zinc/18/76/35/411187635.db2.gz MIJVLTYTJZPNPH-GFCCVEGCSA-N 2 2 214.353 0.887 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C(C)C)C1 ZINC000656151891 411187640 /nfs/dbraw/zinc/18/76/40/411187640.db2.gz MIJVLTYTJZPNPH-GFCCVEGCSA-N 2 2 214.353 0.887 20 0 BCADLP COC1(CO)CC[NH+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000656193801 411199441 /nfs/dbraw/zinc/19/94/41/411199441.db2.gz SUAMCXIYCOJWLU-GFCCVEGCSA-N 2 2 244.379 0.833 20 0 BCADLP C[C@@H]1CN(Cc2cc[nH+]c(N)c2)[C@H](C)C[NH2+]1 ZINC000420340828 411201132 /nfs/dbraw/zinc/20/11/32/411201132.db2.gz SNHXSPWXLAZFEJ-NXEZZACHSA-N 2 2 220.320 0.846 20 0 BCADLP C[C@]1(C[NH3+])CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000652341031 411206064 /nfs/dbraw/zinc/20/60/64/411206064.db2.gz XWIUZLMNOHZGJP-CYBMUJFWSA-N 2 2 234.347 1.000 20 0 BCADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000652341031 411206065 /nfs/dbraw/zinc/20/60/65/411206065.db2.gz XWIUZLMNOHZGJP-CYBMUJFWSA-N 2 2 234.347 1.000 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCOC2(CCOCC2)C1 ZINC000652343757 411207923 /nfs/dbraw/zinc/20/79/23/411207923.db2.gz UTECVTSPAJGAOI-UHFFFAOYSA-N 2 2 228.336 0.477 20 0 BCADLP C[NH2+]CCC[N@H+]1CCOC2(CCOCC2)C1 ZINC000652343757 411207925 /nfs/dbraw/zinc/20/79/25/411207925.db2.gz UTECVTSPAJGAOI-UHFFFAOYSA-N 2 2 228.336 0.477 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658054297 411223347 /nfs/dbraw/zinc/22/33/47/411223347.db2.gz CZPCMCUSIKDCQW-VHSXEESVSA-N 2 2 227.352 0.713 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658054297 411223350 /nfs/dbraw/zinc/22/33/50/411223350.db2.gz CZPCMCUSIKDCQW-VHSXEESVSA-N 2 2 227.352 0.713 20 0 BCADLP CC[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655683224 411223652 /nfs/dbraw/zinc/22/36/52/411223652.db2.gz AHLZWUUERGIVSG-YPMHNXCESA-N 2 2 242.363 0.600 20 0 BCADLP CC[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655683222 411224069 /nfs/dbraw/zinc/22/40/69/411224069.db2.gz AHLZWUUERGIVSG-DGCLKSJQSA-N 2 2 242.363 0.600 20 0 BCADLP Cc1nc(NCC[N@@H+]2CCO[C@@H](C)C2)cc[nH+]1 ZINC000525193370 411232570 /nfs/dbraw/zinc/23/25/70/411232570.db2.gz QHGFLLLVOQQMBZ-JTQLQIEISA-N 2 2 236.319 0.918 20 0 BCADLP Cc1nc(NCC[N@H+]2CCO[C@@H](C)C2)cc[nH+]1 ZINC000525193370 411232571 /nfs/dbraw/zinc/23/25/71/411232571.db2.gz QHGFLLLVOQQMBZ-JTQLQIEISA-N 2 2 236.319 0.918 20 0 BCADLP Cn1cnnc1[C@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000310408670 411235922 /nfs/dbraw/zinc/23/59/22/411235922.db2.gz MASYZILWJLTUIW-GHMZBOCLSA-N 2 2 235.335 0.562 20 0 BCADLP Cn1cnnc1[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000310408670 411235926 /nfs/dbraw/zinc/23/59/26/411235926.db2.gz MASYZILWJLTUIW-GHMZBOCLSA-N 2 2 235.335 0.562 20 0 BCADLP Cn1cnnc1[C@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000310408673 411237046 /nfs/dbraw/zinc/23/70/46/411237046.db2.gz MASYZILWJLTUIW-WDEREUQCSA-N 2 2 235.335 0.562 20 0 BCADLP Cn1cnnc1[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000310408673 411237047 /nfs/dbraw/zinc/23/70/47/411237047.db2.gz MASYZILWJLTUIW-WDEREUQCSA-N 2 2 235.335 0.562 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(CO)CC1 ZINC000310441663 411238533 /nfs/dbraw/zinc/23/85/33/411238533.db2.gz VXOPJMRGDDUIDQ-ZDUSSCGKSA-N 2 2 244.379 0.392 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(CO)CC1 ZINC000310441663 411238535 /nfs/dbraw/zinc/23/85/35/411238535.db2.gz VXOPJMRGDDUIDQ-ZDUSSCGKSA-N 2 2 244.379 0.392 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287588 411263321 /nfs/dbraw/zinc/26/33/21/411263321.db2.gz GBHDGDYMZWOKKP-GARJFASQSA-N 2 2 225.336 0.052 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287588 411263325 /nfs/dbraw/zinc/26/33/25/411263325.db2.gz GBHDGDYMZWOKKP-GARJFASQSA-N 2 2 225.336 0.052 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000130405611 411267050 /nfs/dbraw/zinc/26/70/50/411267050.db2.gz CVJLGNVKMXOJIV-VHSXEESVSA-N 2 2 213.325 0.195 20 0 BCADLP C[NH2+][C@@H](C)c1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656459689 411269745 /nfs/dbraw/zinc/26/97/45/411269745.db2.gz XMVMRHGFBGDGMR-QMMMGPOBSA-N 2 2 233.275 0.435 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC[NH2+]1 ZINC000070645711 411271266 /nfs/dbraw/zinc/27/12/66/411271266.db2.gz RSXLGZMNAOENDM-MRVPVSSYSA-N 2 2 208.265 0.120 20 0 BCADLP Nc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccn1 ZINC000564986166 411274312 /nfs/dbraw/zinc/27/43/12/411274312.db2.gz HHFKFAMVFVSPJL-NEPJUHHUSA-N 2 2 232.331 0.848 20 0 BCADLP Nc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccn1 ZINC000564986166 411274318 /nfs/dbraw/zinc/27/43/18/411274318.db2.gz HHFKFAMVFVSPJL-NEPJUHHUSA-N 2 2 232.331 0.848 20 0 BCADLP Cc1c(C[NH2+][C@H]2C[NH2+]C[C@@H](C)C2)cnn1C ZINC000401778180 411327948 /nfs/dbraw/zinc/32/79/48/411327948.db2.gz UOUNTLCCISFBLV-JOYOIKCWSA-N 2 2 222.336 0.816 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)CCC[NH3+] ZINC000656474172 411276699 /nfs/dbraw/zinc/27/66/99/411276699.db2.gz PWYRNKONKDBNTC-SNVBAGLBSA-N 2 2 239.323 0.262 20 0 BCADLP C[C@H]1C[NH2+]C[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000401759494 411318126 /nfs/dbraw/zinc/31/81/26/411318126.db2.gz HCCNBXBRYJMGRE-VXGBXAGGSA-N 3 2 222.336 0.861 20 0 BCADLP C[C@H]1C[NH2+]C[C@H]([NH2+]CCCn2ccnc2)C1 ZINC000401759494 411318129 /nfs/dbraw/zinc/31/81/29/411318129.db2.gz HCCNBXBRYJMGRE-VXGBXAGGSA-N 2 2 222.336 0.861 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cn2cncn2)C1 ZINC000658285729 411322745 /nfs/dbraw/zinc/32/27/45/411322745.db2.gz NFCBLBSEROAZKJ-RYUDHWBXSA-N 2 2 237.351 0.741 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cn2cncn2)C1 ZINC000658285729 411322751 /nfs/dbraw/zinc/32/27/51/411322751.db2.gz NFCBLBSEROAZKJ-RYUDHWBXSA-N 2 2 237.351 0.741 20 0 BCADLP CC[N@H+](CC[NH3+])CCOC1CCOCC1 ZINC000629558727 411324516 /nfs/dbraw/zinc/32/45/16/411324516.db2.gz MIUOUPJDDVQJIC-UHFFFAOYSA-N 2 2 216.325 0.463 20 0 BCADLP CC[N@@H+](CC[NH3+])CCOC1CCOCC1 ZINC000629558727 411324521 /nfs/dbraw/zinc/32/45/21/411324521.db2.gz MIUOUPJDDVQJIC-UHFFFAOYSA-N 2 2 216.325 0.463 20 0 BCADLP CCC(=O)N1CCC[NH+](C[C@H](C)[NH3+])CC1 ZINC000309806954 411252668 /nfs/dbraw/zinc/25/26/68/411252668.db2.gz SKHNSYBHUQGKAK-JTQLQIEISA-N 2 2 213.325 0.278 20 0 BCADLP c1c([C@@H]2COCC[NH2+]2)nnn1-c1cc[nH+]cc1 ZINC000656440984 411258903 /nfs/dbraw/zinc/25/89/03/411258903.db2.gz RJPOWHWUKOVOBX-NSHDSACASA-N 2 2 231.259 0.323 20 0 BCADLP Cc1c[nH+]c(C)nc1NC[C@H]1C[N@H+](C)CCO1 ZINC000576885797 411351863 /nfs/dbraw/zinc/35/18/63/411351863.db2.gz FYXPXMSGFAIFRH-NSHDSACASA-N 2 2 236.319 0.836 20 0 BCADLP Cc1c[nH+]c(C)nc1NC[C@H]1C[N@@H+](C)CCO1 ZINC000576885797 411351869 /nfs/dbraw/zinc/35/18/69/411351869.db2.gz FYXPXMSGFAIFRH-NSHDSACASA-N 2 2 236.319 0.836 20 0 BCADLP Cc1nn(C)cc1C[N@H+](C)CC(C)(C)[NH3+] ZINC000656783317 411360223 /nfs/dbraw/zinc/36/02/23/411360223.db2.gz OXIRJRFKMNMQMQ-UHFFFAOYSA-N 2 2 210.325 0.898 20 0 BCADLP Cc1nn(C)cc1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000656783317 411360225 /nfs/dbraw/zinc/36/02/25/411360225.db2.gz OXIRJRFKMNMQMQ-UHFFFAOYSA-N 2 2 210.325 0.898 20 0 BCADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@H]2COCCO2)C1 ZINC000071200073 411373474 /nfs/dbraw/zinc/37/34/74/411373474.db2.gz WGILQNVIBQICBE-CHWSQXEVSA-N 2 2 242.363 0.864 20 0 BCADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2COCCO2)C1 ZINC000071200073 411373479 /nfs/dbraw/zinc/37/34/79/411373479.db2.gz WGILQNVIBQICBE-CHWSQXEVSA-N 2 2 242.363 0.864 20 0 BCADLP Cn1ccc(C[NH2+]CC2([NH3+])CCCC2)n1 ZINC000656788505 411367822 /nfs/dbraw/zinc/36/78/22/411367822.db2.gz SEOBJCCZGQBBQT-UHFFFAOYSA-N 2 2 208.309 0.781 20 0 BCADLP CCS(=O)(=O)C[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000656789645 411368807 /nfs/dbraw/zinc/36/88/07/411368807.db2.gz UJUBZOJHEBEYSL-JTQLQIEISA-N 2 2 248.392 0.671 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+](C)C[C@@H]1COCCO1 ZINC000656791357 411370046 /nfs/dbraw/zinc/37/00/46/411370046.db2.gz ZHLLBIRZGDZAKU-NWDGAFQWSA-N 2 2 230.352 0.707 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1COCCO1 ZINC000656791357 411370049 /nfs/dbraw/zinc/37/00/49/411370049.db2.gz ZHLLBIRZGDZAKU-NWDGAFQWSA-N 2 2 230.352 0.707 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]2COC[C@@H]21 ZINC000653760222 411333780 /nfs/dbraw/zinc/33/37/80/411333780.db2.gz MBEYOBANVSJASF-AGIUHOORSA-N 2 2 242.363 0.410 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]2COC[C@@H]21 ZINC000653760222 411333783 /nfs/dbraw/zinc/33/37/83/411333783.db2.gz MBEYOBANVSJASF-AGIUHOORSA-N 2 2 242.363 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000653760222 411333787 /nfs/dbraw/zinc/33/37/87/411333787.db2.gz MBEYOBANVSJASF-AGIUHOORSA-N 2 2 242.363 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000653760222 411333790 /nfs/dbraw/zinc/33/37/90/411333790.db2.gz MBEYOBANVSJASF-AGIUHOORSA-N 2 2 242.363 0.410 20 0 BCADLP COCCC1C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000656703006 411339270 /nfs/dbraw/zinc/33/92/70/411339270.db2.gz NMRGJKUBVBHENL-ZDUSSCGKSA-N 2 2 244.379 0.656 20 0 BCADLP COCCC1C[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000656703006 411339273 /nfs/dbraw/zinc/33/92/73/411339273.db2.gz NMRGJKUBVBHENL-ZDUSSCGKSA-N 2 2 244.379 0.656 20 0 BCADLP COc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)on1 ZINC000659849020 411340528 /nfs/dbraw/zinc/34/05/28/411340528.db2.gz DRTBNNSWOBUPIY-IUCAKERBSA-N 2 2 223.276 0.334 20 0 BCADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCc1c[nH]nn1)C2 ZINC000660665834 411376984 /nfs/dbraw/zinc/37/69/84/411376984.db2.gz YDIXWTKQPXLLNT-CYBMUJFWSA-N 2 2 249.362 0.765 20 0 BCADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCc1c[nH]nn1)C2 ZINC000660665834 411376986 /nfs/dbraw/zinc/37/69/86/411376986.db2.gz YDIXWTKQPXLLNT-CYBMUJFWSA-N 2 2 249.362 0.765 20 0 BCADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCc1c[nH]nn1)C2 ZINC000660665834 411376989 /nfs/dbraw/zinc/37/69/89/411376989.db2.gz YDIXWTKQPXLLNT-CYBMUJFWSA-N 2 2 249.362 0.765 20 0 BCADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCc1c[nH]nn1)C2 ZINC000660665834 411376991 /nfs/dbraw/zinc/37/69/91/411376991.db2.gz YDIXWTKQPXLLNT-CYBMUJFWSA-N 2 2 249.362 0.765 20 0 BCADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCc1cn[nH]n1)C2 ZINC000660665834 411376995 /nfs/dbraw/zinc/37/69/95/411376995.db2.gz YDIXWTKQPXLLNT-CYBMUJFWSA-N 2 2 249.362 0.765 20 0 BCADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCc1cn[nH]n1)C2 ZINC000660665834 411376998 /nfs/dbraw/zinc/37/69/98/411376998.db2.gz YDIXWTKQPXLLNT-CYBMUJFWSA-N 2 2 249.362 0.765 20 0 BCADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCc1cn[nH]n1)C2 ZINC000660665834 411377000 /nfs/dbraw/zinc/37/70/00/411377000.db2.gz YDIXWTKQPXLLNT-CYBMUJFWSA-N 2 2 249.362 0.765 20 0 BCADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCc1cn[nH]n1)C2 ZINC000660665834 411377003 /nfs/dbraw/zinc/37/70/03/411377003.db2.gz YDIXWTKQPXLLNT-CYBMUJFWSA-N 2 2 249.362 0.765 20 0 BCADLP C[C@@H]1C[C@H]([N@@H+]2CCO[C@H](C[NH+](C)C)C2)CCO1 ZINC000659901437 411378656 /nfs/dbraw/zinc/37/86/56/411378656.db2.gz VOBCUHWTRMCVLJ-JHJVBQTASA-N 2 2 242.363 0.816 20 0 BCADLP C[C@@H]1C[C@H]([N@H+]2CCO[C@H](C[NH+](C)C)C2)CCO1 ZINC000659901437 411378659 /nfs/dbraw/zinc/37/86/59/411378659.db2.gz VOBCUHWTRMCVLJ-JHJVBQTASA-N 2 2 242.363 0.816 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000341890001 168186753 /nfs/dbraw/zinc/18/67/53/168186753.db2.gz FRIPZFNGCMDEFG-NEPJUHHUSA-N 2 2 241.379 0.960 20 0 BCADLP c1ncn(CCC[NH2+]Cc2c[nH+]c3n2CCC3)n1 ZINC000657301076 411458674 /nfs/dbraw/zinc/45/86/74/411458674.db2.gz RHUUZJVRUWLOMY-UHFFFAOYSA-N 2 2 246.318 0.601 20 0 BCADLP [NH3+]CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653043630 411401317 /nfs/dbraw/zinc/40/13/17/411401317.db2.gz KCVYAQSKDKYVLW-UHFFFAOYSA-N 2 2 236.319 0.227 20 0 BCADLP CN(CC1CC1)C(=O)C[N@H+](C)CCC[NH3+] ZINC000309458265 411402967 /nfs/dbraw/zinc/40/29/67/411402967.db2.gz ODDBOAYQJNADDI-UHFFFAOYSA-N 2 2 213.325 0.135 20 0 BCADLP CN(CC1CC1)C(=O)C[N@@H+](C)CCC[NH3+] ZINC000309458265 411402969 /nfs/dbraw/zinc/40/29/69/411402969.db2.gz ODDBOAYQJNADDI-UHFFFAOYSA-N 2 2 213.325 0.135 20 0 BCADLP CC[N@H+](CCCn1cc[nH+]c1)C1COC1 ZINC000451282230 411403028 /nfs/dbraw/zinc/40/30/28/411403028.db2.gz BKXGRYREEVGZOI-UHFFFAOYSA-N 2 2 209.293 0.994 20 0 BCADLP CC[N@@H+](CCCn1cc[nH+]c1)C1COC1 ZINC000451282230 411403033 /nfs/dbraw/zinc/40/30/33/411403033.db2.gz BKXGRYREEVGZOI-UHFFFAOYSA-N 2 2 209.293 0.994 20 0 BCADLP C[C@H](CNC(=O)C[NH+]1CC(C)(C)C1)[NH+](C)C ZINC000654480554 411403453 /nfs/dbraw/zinc/40/34/53/411403453.db2.gz ZSUVIZJNOVJATD-SNVBAGLBSA-N 2 2 227.352 0.395 20 0 BCADLP c1n[nH]cc1CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000380980161 411404370 /nfs/dbraw/zinc/40/43/70/411404370.db2.gz IJGBTWURJHDBCG-NEPJUHHUSA-N 2 2 220.320 0.779 20 0 BCADLP c1n[nH]cc1CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000380980161 411404374 /nfs/dbraw/zinc/40/43/74/411404374.db2.gz IJGBTWURJHDBCG-NEPJUHHUSA-N 2 2 220.320 0.779 20 0 BCADLP C[C@H](CC(=O)N1CC[NH2+][C@H](C)C1)n1cc[nH+]c1 ZINC000653050781 411404927 /nfs/dbraw/zinc/40/49/27/411404927.db2.gz VIOOVAZRJBNAQR-GHMZBOCLSA-N 2 2 236.319 0.655 20 0 BCADLP CC[C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653056078 411406980 /nfs/dbraw/zinc/40/69/80/411406980.db2.gz STWDRFNNVPZJBW-BDAKNGLRSA-N 2 2 201.314 0.180 20 0 BCADLP C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653057587 411407835 /nfs/dbraw/zinc/40/78/35/411407835.db2.gz IOXUEGOSWAOYGD-WOPDTQHZSA-N 2 2 241.379 0.960 20 0 BCADLP CC(C)N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653057180 411408021 /nfs/dbraw/zinc/40/80/21/411408021.db2.gz SARPGDHNPCWQGV-VIFPVBQESA-N 2 2 201.314 0.132 20 0 BCADLP CCC[C@@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653056855 411408277 /nfs/dbraw/zinc/40/82/77/411408277.db2.gz ATMZGAWSMHGCNT-NXEZZACHSA-N 2 2 215.341 0.570 20 0 BCADLP C[C@H]1CCCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653057438 411408415 /nfs/dbraw/zinc/40/84/15/411408415.db2.gz BQZBSGQUBYWVMI-WDEREUQCSA-N 2 2 227.352 0.666 20 0 BCADLP C[C@@H]1CCCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653057435 411408650 /nfs/dbraw/zinc/40/86/50/411408650.db2.gz BQZBSGQUBYWVMI-GHMZBOCLSA-N 2 2 227.352 0.666 20 0 BCADLP CCCCN(CC)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653057773 411409261 /nfs/dbraw/zinc/40/92/61/411409261.db2.gz PYJPBKDYNLYISC-LLVKDONJSA-N 2 2 229.368 0.914 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC(C)(C)C ZINC000653065700 411411221 /nfs/dbraw/zinc/41/12/21/411411221.db2.gz PPPOIOWQYWYRBR-VIFPVBQESA-N 2 2 215.341 0.428 20 0 BCADLP C[C@@H]1CCC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653067858 411411520 /nfs/dbraw/zinc/41/15/20/411411520.db2.gz OBQZWPGMUYJXRL-IJLUTSLNSA-N 2 2 241.379 0.960 20 0 BCADLP CC(C)CN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653065383 411411527 /nfs/dbraw/zinc/41/15/27/411411527.db2.gz ASMHPGJVTGZMEM-JTQLQIEISA-N 2 2 215.341 0.380 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1CCC1 ZINC000653070244 411412337 /nfs/dbraw/zinc/41/23/37/411412337.db2.gz PDVVROGVMSLXDB-JTQLQIEISA-N 2 2 213.325 0.182 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1CCC1 ZINC000653070245 411412771 /nfs/dbraw/zinc/41/27/71/411412771.db2.gz PDVVROGVMSLXDB-SNVBAGLBSA-N 2 2 213.325 0.182 20 0 BCADLP CCC[C@H](C)N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653072856 411413640 /nfs/dbraw/zinc/41/36/40/411413640.db2.gz HXBNLAOQGVTZEC-QWRGUYRKSA-N 2 2 229.368 0.912 20 0 BCADLP CC[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653073294 411413683 /nfs/dbraw/zinc/41/36/83/411413683.db2.gz YOQPPAUUYLQDEC-RYUDHWBXSA-N 2 2 241.379 0.914 20 0 BCADLP CC[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653073292 411413798 /nfs/dbraw/zinc/41/37/98/411413798.db2.gz YOQPPAUUYLQDEC-NEPJUHHUSA-N 2 2 241.379 0.914 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(F)F)C1 ZINC000653593949 411429442 /nfs/dbraw/zinc/42/94/42/411429442.db2.gz YBPUHPCWTFYXBZ-ZJUUUORDSA-N 2 2 236.306 0.886 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(F)F)C1 ZINC000653593949 411429446 /nfs/dbraw/zinc/42/94/46/411429446.db2.gz YBPUHPCWTFYXBZ-ZJUUUORDSA-N 2 2 236.306 0.886 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000653593949 411429449 /nfs/dbraw/zinc/42/94/49/411429449.db2.gz YBPUHPCWTFYXBZ-ZJUUUORDSA-N 2 2 236.306 0.886 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000653593949 411429453 /nfs/dbraw/zinc/42/94/53/411429453.db2.gz YBPUHPCWTFYXBZ-ZJUUUORDSA-N 2 2 236.306 0.886 20 0 BCADLP Cn1cc(CC[NH2+]Cc2c[nH+]c3n2CCC3)cn1 ZINC000657317983 411463146 /nfs/dbraw/zinc/46/31/46/411463146.db2.gz JQCFTCPNGXILRO-UHFFFAOYSA-N 2 2 245.330 0.895 20 0 BCADLP CC[C@@H]1C[N@H+](Cc2nccn2C)CC[C@@H]1[NH3+] ZINC000122809862 411436705 /nfs/dbraw/zinc/43/67/05/411436705.db2.gz BYENLLBQTHDVJA-MNOVXSKESA-N 2 2 222.336 0.979 20 0 BCADLP CC[C@@H]1C[N@@H+](Cc2nccn2C)CC[C@@H]1[NH3+] ZINC000122809862 411436707 /nfs/dbraw/zinc/43/67/07/411436707.db2.gz BYENLLBQTHDVJA-MNOVXSKESA-N 2 2 222.336 0.979 20 0 BCADLP CC[C@@H]1CN(Cc2[nH+]ccn2C)CC[C@@H]1[NH3+] ZINC000122809862 411436710 /nfs/dbraw/zinc/43/67/10/411436710.db2.gz BYENLLBQTHDVJA-MNOVXSKESA-N 2 2 222.336 0.979 20 0 BCADLP C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000654736593 411437877 /nfs/dbraw/zinc/43/78/77/411437877.db2.gz CHWZJHPRPOEGNN-NSHDSACASA-N 2 2 239.363 0.539 20 0 BCADLP C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000654736593 411437878 /nfs/dbraw/zinc/43/78/78/411437878.db2.gz CHWZJHPRPOEGNN-NSHDSACASA-N 2 2 239.363 0.539 20 0 BCADLP C[C@@H](NC(=O)NC(C)(C)C[NH3+])c1[nH+]ccn1C ZINC000659626682 411444303 /nfs/dbraw/zinc/44/43/03/411444303.db2.gz DJFDWNDTTXIYGU-MRVPVSSYSA-N 2 2 239.323 0.518 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657292651 411453446 /nfs/dbraw/zinc/45/34/46/411453446.db2.gz PCASJRFSRQWJBD-VIFPVBQESA-N 2 2 236.319 0.444 20 0 BCADLP CN(C)C(=O)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657292471 411453568 /nfs/dbraw/zinc/45/35/68/411453568.db2.gz OQMMBSBBJWJIAS-UHFFFAOYSA-N 2 2 222.292 0.007 20 0 BCADLP Cc1[nH+]ccn1CCN1CCC[N@@H+](C)CC1 ZINC000659830276 411467095 /nfs/dbraw/zinc/46/70/95/411467095.db2.gz YMLQAINRSCMONO-UHFFFAOYSA-N 2 2 222.336 0.829 20 0 BCADLP Cc1[nH+]ccn1CCN1CCC[N@H+](C)CC1 ZINC000659830276 411467097 /nfs/dbraw/zinc/46/70/97/411467097.db2.gz YMLQAINRSCMONO-UHFFFAOYSA-N 2 2 222.336 0.829 20 0 BCADLP CO[C@@H]1COC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657489883 411532566 /nfs/dbraw/zinc/53/25/66/411532566.db2.gz AKAQEWSWHINVMI-WDEREUQCSA-N 2 2 237.303 0.333 20 0 BCADLP C[C@@]1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCC(=O)N1 ZINC000657489304 411532783 /nfs/dbraw/zinc/53/27/83/411532783.db2.gz YREBWRXKHZTLRR-ZDUSSCGKSA-N 2 2 248.330 0.588 20 0 BCADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)CO1 ZINC000657354854 411474242 /nfs/dbraw/zinc/47/42/42/411474242.db2.gz WQNDLXGGSBHCRU-OUAUKWLOSA-N 2 2 216.325 0.066 20 0 BCADLP O=C(NCc1c[nH+]c[nH]1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407307637 411478833 /nfs/dbraw/zinc/47/88/33/411478833.db2.gz PEFMPCPMQRUXAN-GHMZBOCLSA-N 2 2 234.303 0.557 20 0 BCADLP O=C(NCc1c[nH]c[nH+]1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407307637 411478836 /nfs/dbraw/zinc/47/88/36/411478836.db2.gz PEFMPCPMQRUXAN-GHMZBOCLSA-N 2 2 234.303 0.557 20 0 BCADLP O=C1C[C@@H](C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CN1 ZINC000660076483 411533215 /nfs/dbraw/zinc/53/32/15/411533215.db2.gz JESOWMVIGGKZEO-GHMZBOCLSA-N 2 2 248.330 0.725 20 0 BCADLP O=C1C[C@@H](C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CN1 ZINC000660076483 411533216 /nfs/dbraw/zinc/53/32/16/411533216.db2.gz JESOWMVIGGKZEO-GHMZBOCLSA-N 2 2 248.330 0.725 20 0 BCADLP CC[N@@H+]1CCCN(Cc2cn(C)c[nH+]2)CC1 ZINC000659871095 411484603 /nfs/dbraw/zinc/48/46/03/411484603.db2.gz MSPLIMKPYOUFJX-UHFFFAOYSA-N 2 2 222.336 0.948 20 0 BCADLP CC[N@H+]1CCCN(Cc2cn(C)c[nH+]2)CC1 ZINC000659871095 411484605 /nfs/dbraw/zinc/48/46/05/411484605.db2.gz MSPLIMKPYOUFJX-UHFFFAOYSA-N 2 2 222.336 0.948 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCC[C@@H]2O)n1C ZINC000657377752 411485780 /nfs/dbraw/zinc/48/57/80/411485780.db2.gz GANGJFJGUCEEDK-PWSUYJOCSA-N 2 2 223.320 0.979 20 0 BCADLP O=C1C[C@@H](C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CN1 ZINC000659882859 411489669 /nfs/dbraw/zinc/48/96/69/411489669.db2.gz OMHDKSMJBAXRCE-NEPJUHHUSA-N 2 2 248.330 0.656 20 0 BCADLP O=C1C[C@@H](C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CN1 ZINC000659882859 411489671 /nfs/dbraw/zinc/48/96/71/411489671.db2.gz OMHDKSMJBAXRCE-NEPJUHHUSA-N 2 2 248.330 0.656 20 0 BCADLP COC[C@](C)(CO)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657389363 411491414 /nfs/dbraw/zinc/49/14/14/411491414.db2.gz KTDBBDJBWULRMF-LBPRGKRZSA-N 2 2 239.319 0.316 20 0 BCADLP C[C@H]([NH3+])CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659537502 411503021 /nfs/dbraw/zinc/50/30/21/411503021.db2.gz LLSPKJJZKUQQJN-YUMQZZPRSA-N 2 2 225.296 0.128 20 0 BCADLP Cn1c[nH+]c(CC[NH2+]Cc2cc3n(n2)CCC3)c1 ZINC000657488785 411532037 /nfs/dbraw/zinc/53/20/37/411532037.db2.gz LTROKSLCXYRKEA-UHFFFAOYSA-N 2 2 245.330 0.895 20 0 BCADLP CCN1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)CC1=O ZINC000657482324 411532050 /nfs/dbraw/zinc/53/20/50/411532050.db2.gz UTCPTIPCMKTESH-JTQLQIEISA-N 2 2 248.330 0.540 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(N)=O)C[C@@H]1C ZINC000354225654 170018975 /nfs/dbraw/zinc/01/89/75/170018975.db2.gz SMEDKQXWJASUSU-UWVGGRQHSA-N 2 2 213.325 0.276 20 0 BCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(N)=O)C[C@@H]1C ZINC000354225654 170018976 /nfs/dbraw/zinc/01/89/76/170018976.db2.gz SMEDKQXWJASUSU-UWVGGRQHSA-N 2 2 213.325 0.276 20 0 BCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(N)=O)C[C@@H]1C ZINC000354225654 170018977 /nfs/dbraw/zinc/01/89/77/170018977.db2.gz SMEDKQXWJASUSU-UWVGGRQHSA-N 2 2 213.325 0.276 20 0 BCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(N)=O)C[C@@H]1C ZINC000354225654 170018978 /nfs/dbraw/zinc/01/89/78/170018978.db2.gz SMEDKQXWJASUSU-UWVGGRQHSA-N 2 2 213.325 0.276 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H](C)C1 ZINC000305130878 170021310 /nfs/dbraw/zinc/02/13/10/170021310.db2.gz MZNYLUSXAQBZNU-AGIUHOORSA-N 3 2 243.395 0.229 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H](C)C1 ZINC000305130878 170021313 /nfs/dbraw/zinc/02/13/13/170021313.db2.gz MZNYLUSXAQBZNU-AGIUHOORSA-N 3 2 243.395 0.229 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@@H](C)C1 ZINC000305130882 170021645 /nfs/dbraw/zinc/02/16/45/170021645.db2.gz MZNYLUSXAQBZNU-XQQFMLRXSA-N 3 2 243.395 0.229 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@@H](C)C1 ZINC000305130882 170021648 /nfs/dbraw/zinc/02/16/48/170021648.db2.gz MZNYLUSXAQBZNU-XQQFMLRXSA-N 3 2 243.395 0.229 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCOCCO)C1 ZINC000336776837 170030112 /nfs/dbraw/zinc/03/01/12/170030112.db2.gz GUPOQKGGEBZRLC-NEPJUHHUSA-N 2 2 230.352 0.315 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCOCCO)C1 ZINC000336776837 170030113 /nfs/dbraw/zinc/03/01/13/170030113.db2.gz GUPOQKGGEBZRLC-NEPJUHHUSA-N 2 2 230.352 0.315 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCOC)C1 ZINC000308579786 170030227 /nfs/dbraw/zinc/03/02/27/170030227.db2.gz GBICXLRCBORVFN-MNOVXSKESA-N 2 2 200.326 0.953 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCOC)C1 ZINC000308579786 170030229 /nfs/dbraw/zinc/03/02/29/170030229.db2.gz GBICXLRCBORVFN-MNOVXSKESA-N 2 2 200.326 0.953 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CC2(O)CCC2)[C@@H](C)C1 ZINC000336760007 170034915 /nfs/dbraw/zinc/03/49/15/170034915.db2.gz LKRCVAIZYCRVSY-QWRGUYRKSA-N 2 2 212.337 0.831 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]CC2(O)CCC2)[C@@H](C)C1 ZINC000336760007 170034917 /nfs/dbraw/zinc/03/49/17/170034917.db2.gz LKRCVAIZYCRVSY-QWRGUYRKSA-N 2 2 212.337 0.831 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCc3ncnn3C2)[C@@H](C)C1 ZINC000358107794 170036506 /nfs/dbraw/zinc/03/65/06/170036506.db2.gz HVEALCUGBRTFAY-TUAOUCFPSA-N 2 2 249.362 0.523 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCc3ncnn3C2)[C@@H](C)C1 ZINC000358107794 170036508 /nfs/dbraw/zinc/03/65/08/170036508.db2.gz HVEALCUGBRTFAY-TUAOUCFPSA-N 2 2 249.362 0.523 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+][C@H](CCO)COC)[C@@H](C)C1 ZINC000336776442 170036512 /nfs/dbraw/zinc/03/65/12/170036512.db2.gz FWEFJJPNTMOAMV-TUAOUCFPSA-N 2 2 230.352 0.314 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+][C@H](CCO)COC)[C@@H](C)C1 ZINC000336776442 170036513 /nfs/dbraw/zinc/03/65/13/170036513.db2.gz FWEFJJPNTMOAMV-TUAOUCFPSA-N 2 2 230.352 0.314 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCN(C(C)=O)C2)[C@@H](C)C1 ZINC000358266355 170036825 /nfs/dbraw/zinc/03/68/25/170036825.db2.gz MDKZDOAFXGSMKP-UHTWSYAYSA-N 2 2 239.363 0.537 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCN(C(C)=O)C2)[C@@H](C)C1 ZINC000358266355 170036827 /nfs/dbraw/zinc/03/68/27/170036827.db2.gz MDKZDOAFXGSMKP-UHTWSYAYSA-N 2 2 239.363 0.537 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](C)CCO)C1 ZINC000309042702 170038744 /nfs/dbraw/zinc/03/87/44/170038744.db2.gz MDQSBYCBLSNUOP-SDDRHHMPSA-N 2 2 214.353 0.935 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](C)CCO)C1 ZINC000309042702 170038745 /nfs/dbraw/zinc/03/87/45/170038745.db2.gz MDQSBYCBLSNUOP-SDDRHHMPSA-N 2 2 214.353 0.935 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CC[C@H](CO)O2)C1 ZINC000340413872 170038847 /nfs/dbraw/zinc/03/88/47/170038847.db2.gz FDWBNJMVHBFZQO-UMSGYPCISA-N 2 2 242.363 0.456 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CC[C@H](CO)O2)C1 ZINC000340413872 170038848 /nfs/dbraw/zinc/03/88/48/170038848.db2.gz FDWBNJMVHBFZQO-UMSGYPCISA-N 2 2 242.363 0.456 20 0 BCADLP CCNC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375771744 170054355 /nfs/dbraw/zinc/05/43/55/170054355.db2.gz WNRJSZKMBQQPIG-FOSCPWQOSA-N 2 2 239.363 0.680 20 0 BCADLP CCNC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375771744 170054357 /nfs/dbraw/zinc/05/43/57/170054357.db2.gz WNRJSZKMBQQPIG-FOSCPWQOSA-N 2 2 239.363 0.680 20 0 BCADLP CCNC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375771744 170054359 /nfs/dbraw/zinc/05/43/59/170054359.db2.gz WNRJSZKMBQQPIG-FOSCPWQOSA-N 2 2 239.363 0.680 20 0 BCADLP CCNC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375771744 170054360 /nfs/dbraw/zinc/05/43/60/170054360.db2.gz WNRJSZKMBQQPIG-FOSCPWQOSA-N 2 2 239.363 0.680 20 0 BCADLP CCNC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000360700618 170058286 /nfs/dbraw/zinc/05/82/86/170058286.db2.gz UBSVCLBKSHJPHE-UHFFFAOYSA-N 2 2 236.319 0.725 20 0 BCADLP CO[C@@H]1COC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657498141 411537579 /nfs/dbraw/zinc/53/75/79/411537579.db2.gz AKAQEWSWHINVMI-GHMZBOCLSA-N 2 2 237.303 0.333 20 0 BCADLP Cc1c[nH]c(CNC2CC([NH+](C)C)C2)[nH+]1 ZINC000657501626 411538014 /nfs/dbraw/zinc/53/80/14/411538014.db2.gz ZXRXACWMFQOFCQ-UHFFFAOYSA-N 2 2 208.309 0.900 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)CN(C)Cc1[nH]cc[nH+]1 ZINC000660142810 411544905 /nfs/dbraw/zinc/54/49/05/411544905.db2.gz KVFZKKLMUZKPFZ-NSHDSACASA-N 2 2 240.351 0.543 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)CN(C)Cc1[nH]cc[nH+]1 ZINC000660142810 411544906 /nfs/dbraw/zinc/54/49/06/411544906.db2.gz KVFZKKLMUZKPFZ-NSHDSACASA-N 2 2 240.351 0.543 20 0 BCADLP CCOC(=O)C[N@H+](C)CCn1cc[nH+]c1 ZINC000050066553 170215000 /nfs/dbraw/zinc/21/50/00/170215000.db2.gz DAJUBUJCOVBEQU-UHFFFAOYSA-N 2 2 211.265 0.378 20 0 BCADLP CCOC(=O)C[N@@H+](C)CCn1cc[nH+]c1 ZINC000050066553 170215001 /nfs/dbraw/zinc/21/50/01/170215001.db2.gz DAJUBUJCOVBEQU-UHFFFAOYSA-N 2 2 211.265 0.378 20 0 BCADLP CCOC(=O)C[NH2+][C@H]1CCc2[nH+]c(C)cn2C1 ZINC000375508488 170227339 /nfs/dbraw/zinc/22/73/39/170227339.db2.gz JEHGOZZXNQBYFR-JTQLQIEISA-N 2 2 237.303 0.659 20 0 BCADLP CCOC(=O)C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000365806693 170227365 /nfs/dbraw/zinc/22/73/65/170227365.db2.gz QNIQJBPUVCKEBE-VIFPVBQESA-N 2 2 223.276 0.351 20 0 BCADLP CCOC(=O)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000077388406 170239950 /nfs/dbraw/zinc/23/99/50/170239950.db2.gz OSQFVNRWBDEMDE-LLVKDONJSA-N 2 2 241.335 0.370 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000126974196 170267548 /nfs/dbraw/zinc/26/75/48/170267548.db2.gz DRMIVXCDQFPZAR-GUBZILKMSA-N 2 2 214.309 0.607 20 0 BCADLP CCOC(=O)[C@H](CC)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000227082410 170271280 /nfs/dbraw/zinc/27/12/80/170271280.db2.gz JQWLLWRXPVCEOR-QWRGUYRKSA-N 2 2 228.336 0.999 20 0 BCADLP CCOC(=O)[C@H](CC)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000227082410 170271281 /nfs/dbraw/zinc/27/12/81/170271281.db2.gz JQWLLWRXPVCEOR-QWRGUYRKSA-N 2 2 228.336 0.999 20 0 BCADLP CCOC1CC([NH2+][C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000328339603 170329359 /nfs/dbraw/zinc/32/93/59/170329359.db2.gz KLWVTZMEPKAZAJ-PNESKVBLSA-N 2 2 242.363 0.864 20 0 BCADLP CCOC1CC([NH2+][C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC000328339603 170329361 /nfs/dbraw/zinc/32/93/61/170329361.db2.gz KLWVTZMEPKAZAJ-PNESKVBLSA-N 2 2 242.363 0.864 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCOCCF)n1C ZINC000663338165 411628854 /nfs/dbraw/zinc/62/88/54/411628854.db2.gz FETVXTAQUURKCD-UHFFFAOYSA-N 2 2 215.272 0.804 20 0 BCADLP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@H]1O ZINC000314051260 411580406 /nfs/dbraw/zinc/58/04/06/411580406.db2.gz UELTVEOYJVEDCH-ZYHUDNBSSA-N 2 2 223.320 0.665 20 0 BCADLP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@H]1O ZINC000314051260 411580408 /nfs/dbraw/zinc/58/04/08/411580408.db2.gz UELTVEOYJVEDCH-ZYHUDNBSSA-N 2 2 223.320 0.665 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000657707945 411585386 /nfs/dbraw/zinc/58/53/86/411585386.db2.gz WKAMVIRTCWVQQS-KXNHARMFSA-N 2 2 224.348 0.830 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000657707945 411585387 /nfs/dbraw/zinc/58/53/87/411585387.db2.gz WKAMVIRTCWVQQS-KXNHARMFSA-N 2 2 224.348 0.830 20 0 BCADLP CC[N@@H+]1CCN(Cc2cn(C)c[nH+]2)[C@@H](C)C1 ZINC000660534574 411596349 /nfs/dbraw/zinc/59/63/49/411596349.db2.gz GMSOOPIWURPCSG-NSHDSACASA-N 2 2 222.336 0.946 20 0 BCADLP CC[N@H+]1CCN(Cc2cn(C)c[nH+]2)[C@@H](C)C1 ZINC000660534574 411596350 /nfs/dbraw/zinc/59/63/50/411596350.db2.gz GMSOOPIWURPCSG-NSHDSACASA-N 2 2 222.336 0.946 20 0 BCADLP O[C@H]1C[C@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000657809680 411602556 /nfs/dbraw/zinc/60/25/56/411602556.db2.gz NVXYWRKPHNHLGI-HOMQSWHASA-N 2 2 217.272 0.947 20 0 BCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cn1cncn1 ZINC000657821041 411607701 /nfs/dbraw/zinc/60/77/01/411607701.db2.gz PLOGAZUPXAXGGK-VXGBXAGGSA-N 2 2 237.351 0.741 20 0 BCADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cn1cncn1 ZINC000657821041 411607702 /nfs/dbraw/zinc/60/77/02/411607702.db2.gz PLOGAZUPXAXGGK-VXGBXAGGSA-N 2 2 237.351 0.741 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+]CC[NH+]1CCCCC1 ZINC000657831415 411609029 /nfs/dbraw/zinc/60/90/29/411609029.db2.gz XVMFIUVORFTGDB-LBPRGKRZSA-N 2 2 237.351 0.742 20 0 BCADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1CCNC1=O)C2 ZINC000660657460 411614942 /nfs/dbraw/zinc/61/49/42/411614942.db2.gz QGBFBGFQXRANNN-WCQYABFASA-N 2 2 237.347 0.293 20 0 BCADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1CCNC1=O)C2 ZINC000660657460 411614943 /nfs/dbraw/zinc/61/49/43/411614943.db2.gz QGBFBGFQXRANNN-WCQYABFASA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@H]1CCNC1=O)C2 ZINC000660657460 411614945 /nfs/dbraw/zinc/61/49/45/411614945.db2.gz QGBFBGFQXRANNN-WCQYABFASA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@H]1CCNC1=O)C2 ZINC000660657460 411614946 /nfs/dbraw/zinc/61/49/46/411614946.db2.gz QGBFBGFQXRANNN-WCQYABFASA-N 2 2 237.347 0.293 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)CN(C)Cc1c[nH+]c[nH]1 ZINC000661090449 411703392 /nfs/dbraw/zinc/70/33/92/411703392.db2.gz PQZPFJYIHCVIFH-LBPRGKRZSA-N 2 2 240.351 0.543 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)CN(C)Cc1c[nH+]c[nH]1 ZINC000661090449 411703395 /nfs/dbraw/zinc/70/33/95/411703395.db2.gz PQZPFJYIHCVIFH-LBPRGKRZSA-N 2 2 240.351 0.543 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)CN(C)Cc1c[nH]c[nH+]1 ZINC000661090449 411703398 /nfs/dbraw/zinc/70/33/98/411703398.db2.gz PQZPFJYIHCVIFH-LBPRGKRZSA-N 2 2 240.351 0.543 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)CN(C)Cc1c[nH]c[nH+]1 ZINC000661090449 411703401 /nfs/dbraw/zinc/70/34/01/411703401.db2.gz PQZPFJYIHCVIFH-LBPRGKRZSA-N 2 2 240.351 0.543 20 0 BCADLP c1cc2c(nc[nH+]c2NCCn2cc[nH+]c2)[nH]1 ZINC000339235999 411704360 /nfs/dbraw/zinc/70/43/60/411704360.db2.gz ZPGVGEBCOXPLNO-UHFFFAOYSA-N 2 2 228.259 1.267 20 0 BCADLP Cc1cc(NC(=O)N[C@@]2(C)CC[NH2+]C2)c(C)c[nH+]1 ZINC000663589242 411706961 /nfs/dbraw/zinc/70/69/61/411706961.db2.gz CIOCARAZJFHVLD-ZDUSSCGKSA-N 2 2 248.330 0.994 20 0 BCADLP Cc1cc(NC(=O)C[N@H+](C)CCC[NH3+])no1 ZINC000133226956 411659617 /nfs/dbraw/zinc/65/96/17/411659617.db2.gz CWLMNAKALOPFGS-UHFFFAOYSA-N 2 2 226.280 0.202 20 0 BCADLP Cc1cc(NC(=O)C[N@@H+](C)CCC[NH3+])no1 ZINC000133226956 411659621 /nfs/dbraw/zinc/65/96/21/411659621.db2.gz CWLMNAKALOPFGS-UHFFFAOYSA-N 2 2 226.280 0.202 20 0 BCADLP C[C@]1(C[NH3+])CC[N@H+](C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663495418 411667854 /nfs/dbraw/zinc/66/78/54/411667854.db2.gz XSWZDUOWDAJPTN-QJPTWQEYSA-N 3 2 209.337 0.267 20 0 BCADLP C[C@]1(C[NH3+])CC[N@@H+](C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663495418 411667859 /nfs/dbraw/zinc/66/78/59/411667859.db2.gz XSWZDUOWDAJPTN-QJPTWQEYSA-N 3 2 209.337 0.267 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663496421 411669091 /nfs/dbraw/zinc/66/90/91/411669091.db2.gz VTOWAIOOCGSATD-TUAOUCFPSA-N 3 2 209.337 0.137 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663496421 411669094 /nfs/dbraw/zinc/66/90/94/411669094.db2.gz VTOWAIOOCGSATD-TUAOUCFPSA-N 3 2 209.337 0.137 20 0 BCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663496250 411677427 /nfs/dbraw/zinc/67/74/27/411677427.db2.gz FICXMEGDRABFGM-KKOKHZNYSA-N 3 2 209.337 0.455 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663497271 411678959 /nfs/dbraw/zinc/67/89/59/411678959.db2.gz MMFRYAGQUFCTHH-KKOKHZNYSA-N 3 2 209.337 0.408 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663497271 411678961 /nfs/dbraw/zinc/67/89/61/411678961.db2.gz MMFRYAGQUFCTHH-KKOKHZNYSA-N 3 2 209.337 0.408 20 0 BCADLP c1ncc(C[NH2+]CC23CC(C2)C[NH2+]3)s1 ZINC000663502557 411685570 /nfs/dbraw/zinc/68/55/70/411685570.db2.gz VDDSIJGMJXFXQJ-UHFFFAOYSA-N 2 2 209.318 0.985 20 0 BCADLP CN(C)c1ncc(C[NH2+]CC23CC(C2)C[NH2+]3)cn1 ZINC000663501536 411686403 /nfs/dbraw/zinc/68/64/03/411686403.db2.gz ITDABWZKBHORSK-UHFFFAOYSA-N 2 2 247.346 0.384 20 0 BCADLP C[C@]1(C[N@@H+]2CCc3nccnc3C2)CC[NH2+]C1 ZINC000663503767 411687698 /nfs/dbraw/zinc/68/76/98/411687698.db2.gz QURMUBKDKHOYGD-ZDUSSCGKSA-N 2 2 232.331 0.834 20 0 BCADLP C[C@]1(C[N@H+]2CCc3nccnc3C2)CC[NH2+]C1 ZINC000663503767 411687703 /nfs/dbraw/zinc/68/77/03/411687703.db2.gz QURMUBKDKHOYGD-ZDUSSCGKSA-N 2 2 232.331 0.834 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000663507946 411689505 /nfs/dbraw/zinc/68/95/05/411689505.db2.gz DOCKSHGIOSFJQV-SECBINFHSA-N 2 2 221.304 0.483 20 0 BCADLP C[C@H]1C[C@H](C[N@@H+]2CCOC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC000663512202 411694247 /nfs/dbraw/zinc/69/42/47/411694247.db2.gz ZIXSLUQNCIPQTA-NWDGAFQWSA-N 3 2 239.363 0.049 20 0 BCADLP C[C@H]1C[C@H](C[N@H+]2CCOC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC000663512202 411694250 /nfs/dbraw/zinc/69/42/50/411694250.db2.gz ZIXSLUQNCIPQTA-NWDGAFQWSA-N 3 2 239.363 0.049 20 0 BCADLP O[C@@H]1CC[N@H+](CCNc2[nH+]cnc3[nH]ccc32)C1 ZINC000624680780 411695942 /nfs/dbraw/zinc/69/59/42/411695942.db2.gz ZQPSGTQFRGPAEU-SECBINFHSA-N 2 2 247.302 0.436 20 0 BCADLP O[C@@H]1CC[N@@H+](CCNc2[nH+]cnc3[nH]ccc32)C1 ZINC000624680780 411695948 /nfs/dbraw/zinc/69/59/48/411695948.db2.gz ZQPSGTQFRGPAEU-SECBINFHSA-N 2 2 247.302 0.436 20 0 BCADLP CCc1nc(N[C@@H](CO)C[NH+](C)C)cc(C)[nH+]1 ZINC000663910665 411771513 /nfs/dbraw/zinc/77/15/13/411771513.db2.gz LQINXGAQLLMICG-SNVBAGLBSA-N 2 2 238.335 0.682 20 0 BCADLP C[C@@H]([NH2+]CCNc1cnccn1)[C@@H]1CCC[NH2+]1 ZINC000521225578 411830015 /nfs/dbraw/zinc/83/00/15/411830015.db2.gz DAZDOIVCBDPBLV-MNOVXSKESA-N 2 2 235.335 0.619 20 0 BCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000353164282 411886519 /nfs/dbraw/zinc/88/65/19/411886519.db2.gz FGEYHDJARDVJQO-NXEZZACHSA-N 2 2 234.303 0.990 20 0 BCADLP CC1(C)C[NH2+]CCN1Cc1cc[nH+]c(N)c1 ZINC000647852851 411887765 /nfs/dbraw/zinc/88/77/65/411887765.db2.gz HQPZKYYXLYFQPO-UHFFFAOYSA-N 2 2 220.320 0.848 20 0 BCADLP CC1(C(=O)Nc2ccc(N)[nH+]c2)C[NH2+]C1 ZINC000422782517 411889391 /nfs/dbraw/zinc/88/93/91/411889391.db2.gz GMJNTJDJGSSEJL-UHFFFAOYSA-N 2 2 206.249 0.212 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H](C)N1Cc1cc[nH+]c(N)c1 ZINC000420306501 411911834 /nfs/dbraw/zinc/91/18/34/411911834.db2.gz HQDQWTANWXECJH-AOOOYVTPSA-N 2 2 220.320 0.846 20 0 BCADLP CCC[NH2+]CC[NH2+]Cc1ccc(N)nc1 ZINC000647546928 411912225 /nfs/dbraw/zinc/91/22/25/411912225.db2.gz HRBPLTQPQHWZJQ-UHFFFAOYSA-N 2 2 208.309 0.753 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cnc(N)s1 ZINC000414960226 411914388 /nfs/dbraw/zinc/91/43/88/411914388.db2.gz UNTXYDSLPRYIIY-IONNQARKSA-N 2 2 226.349 0.955 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2C[C@H]2C1 ZINC000661968446 411925229 /nfs/dbraw/zinc/92/52/29/411925229.db2.gz YAIROVOXBWAVCQ-AVGNSLFASA-N 2 2 242.363 0.267 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2C[C@H]2C1 ZINC000661968446 411925230 /nfs/dbraw/zinc/92/52/30/411925230.db2.gz YAIROVOXBWAVCQ-AVGNSLFASA-N 2 2 242.363 0.267 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661968446 411925233 /nfs/dbraw/zinc/92/52/33/411925233.db2.gz YAIROVOXBWAVCQ-AVGNSLFASA-N 2 2 242.363 0.267 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000661968446 411925236 /nfs/dbraw/zinc/92/52/36/411925236.db2.gz YAIROVOXBWAVCQ-AVGNSLFASA-N 2 2 242.363 0.267 20 0 BCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000582003457 411932632 /nfs/dbraw/zinc/93/26/32/411932632.db2.gz KSBOIKWDKLLZPB-APPZFPTMSA-N 2 2 220.276 0.600 20 0 BCADLP Nc1cc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc[nH+]1 ZINC000584222630 411939200 /nfs/dbraw/zinc/93/92/00/411939200.db2.gz VXNRUBYZFGZEPO-TXEJJXNPSA-N 2 2 232.331 0.990 20 0 BCADLP Nc1cc(CN2CCC[C@@H]([NH3+])C2)cc[nH+]1 ZINC000566562346 411941064 /nfs/dbraw/zinc/94/10/64/411941064.db2.gz YYWBLINZBCNCQS-SNVBAGLBSA-N 2 2 206.293 0.587 20 0 BCADLP CSCC[C@H]([NH3+])C(=O)Nc1ccc(N)[nH+]c1 ZINC000563143462 411872939 /nfs/dbraw/zinc/87/29/39/411872939.db2.gz VLFQZJLIXIKCKZ-QMMMGPOBSA-N 2 2 240.332 0.683 20 0 BCADLP Nc1ncc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)s1 ZINC000566973966 411976456 /nfs/dbraw/zinc/97/64/56/411976456.db2.gz RMGQUPIXNRTEBJ-MRVPVSSYSA-N 2 2 242.348 0.275 20 0 BCADLP Nc1ncc(C[N@H+]2CCCO[C@H](C[NH3+])C2)s1 ZINC000566973966 411976457 /nfs/dbraw/zinc/97/64/57/411976457.db2.gz RMGQUPIXNRTEBJ-MRVPVSSYSA-N 2 2 242.348 0.275 20 0 BCADLP Nc1ncc(C[NH2+][C@@H](C[NH3+])C2CC2)s1 ZINC000563135085 411976957 /nfs/dbraw/zinc/97/69/57/411976957.db2.gz CSWHCMUVKCPUHS-QMMMGPOBSA-N 2 2 212.322 0.552 20 0 BCADLP c1cn(CC[N@@H+]2CCC3(COC3)C2)c[nH+]1 ZINC000662074194 411977547 /nfs/dbraw/zinc/97/75/47/411977547.db2.gz RKEUUJXBBJYSAG-UHFFFAOYSA-N 2 2 207.277 0.605 20 0 BCADLP c1cn(CC[N@H+]2CCC3(COC3)C2)c[nH+]1 ZINC000662074194 411977551 /nfs/dbraw/zinc/97/75/51/411977551.db2.gz RKEUUJXBBJYSAG-UHFFFAOYSA-N 2 2 207.277 0.605 20 0 BCADLP Cc1nc(N)c(CNC(=O)/C=C/C[NH+](C)C)c[nH+]1 ZINC000493452195 411984854 /nfs/dbraw/zinc/98/48/54/411984854.db2.gz KMFXHVIVXVIADI-SNAWJCMRSA-N 2 2 249.318 0.101 20 0 BCADLP CCOCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152527 412008284 /nfs/dbraw/zinc/00/82/84/412008284.db2.gz UXOSTMVYPRFCNZ-ZDUSSCGKSA-N 2 2 242.363 0.554 20 0 BCADLP CCOCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152527 412008287 /nfs/dbraw/zinc/00/82/87/412008287.db2.gz UXOSTMVYPRFCNZ-ZDUSSCGKSA-N 2 2 242.363 0.554 20 0 BCADLP Nc1ncc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])s1 ZINC000424364746 411962849 /nfs/dbraw/zinc/96/28/49/411962849.db2.gz FGSBKAYTMGQOCX-RKDXNWHRSA-N 2 2 226.349 1.085 20 0 BCADLP COC[C@H](C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000662244520 412042138 /nfs/dbraw/zinc/04/21/38/412042138.db2.gz HJZFQGULNBDRMF-WOPDTQHZSA-N 2 2 228.336 0.474 20 0 BCADLP COC[C@H](C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000662244520 412042140 /nfs/dbraw/zinc/04/21/40/412042140.db2.gz HJZFQGULNBDRMF-WOPDTQHZSA-N 2 2 228.336 0.474 20 0 BCADLP C[N@H+](CCO[C@@H]1CC1(F)F)[C@H]1CC[NH2+]C1 ZINC000662245694 412043081 /nfs/dbraw/zinc/04/30/81/412043081.db2.gz NDUSYNTTYCZHGC-DTWKUNHWSA-N 2 2 220.263 0.704 20 0 BCADLP C[N@@H+](CCO[C@@H]1CC1(F)F)[C@H]1CC[NH2+]C1 ZINC000662245694 412043083 /nfs/dbraw/zinc/04/30/83/412043083.db2.gz NDUSYNTTYCZHGC-DTWKUNHWSA-N 2 2 220.263 0.704 20 0 BCADLP CO[C@H](C[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1)C1CCC1 ZINC000662247879 412044399 /nfs/dbraw/zinc/04/43/99/412044399.db2.gz NOMZMDAJEDGAIX-RAIGVLPGSA-N 2 2 242.363 0.850 20 0 BCADLP CO[C@H](C[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1)C1CCC1 ZINC000662247879 412044403 /nfs/dbraw/zinc/04/44/03/412044403.db2.gz NOMZMDAJEDGAIX-RAIGVLPGSA-N 2 2 242.363 0.850 20 0 BCADLP C([C@@H]1CCOC1)[N@H+](C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000662250430 412047042 /nfs/dbraw/zinc/04/70/42/412047042.db2.gz HVGXRCZWGXLGEV-AAEUAGOBSA-N 2 2 240.347 0.476 20 0 BCADLP C([C@@H]1CCOC1)[N@@H+](C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000662250430 412047047 /nfs/dbraw/zinc/04/70/47/412047047.db2.gz HVGXRCZWGXLGEV-AAEUAGOBSA-N 2 2 240.347 0.476 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000662255274 412051824 /nfs/dbraw/zinc/05/18/24/412051824.db2.gz XFTRTTOELHKVAW-TUAOUCFPSA-N 2 2 228.336 0.474 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000662255274 412051828 /nfs/dbraw/zinc/05/18/28/412051828.db2.gz XFTRTTOELHKVAW-TUAOUCFPSA-N 2 2 228.336 0.474 20 0 BCADLP CC1(C)C[N@H+](C[C@H]2C[NH2+]CCO2)C(C)(C)CO1 ZINC000662256911 412052057 /nfs/dbraw/zinc/05/20/57/412052057.db2.gz ZHRIONCOEKBKNG-LLVKDONJSA-N 2 2 242.363 0.864 20 0 BCADLP CC1(C)C[N@@H+](C[C@H]2C[NH2+]CCO2)C(C)(C)CO1 ZINC000662256911 412052060 /nfs/dbraw/zinc/05/20/60/412052060.db2.gz ZHRIONCOEKBKNG-LLVKDONJSA-N 2 2 242.363 0.864 20 0 BCADLP CC(C)(C)C[N@H+](CCCO)C[C@H]1C[NH2+]CCO1 ZINC000662258926 412053698 /nfs/dbraw/zinc/05/36/98/412053698.db2.gz YJOAFUUXOHSFRK-GFCCVEGCSA-N 2 2 244.379 0.705 20 0 BCADLP CC(C)(C)C[N@@H+](CCCO)C[C@H]1C[NH2+]CCO1 ZINC000662258926 412053703 /nfs/dbraw/zinc/05/37/03/412053703.db2.gz YJOAFUUXOHSFRK-GFCCVEGCSA-N 2 2 244.379 0.705 20 0 BCADLP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662273757 412064666 /nfs/dbraw/zinc/06/46/66/412064666.db2.gz ZWGJNEINKKNYRM-RYUDHWBXSA-N 3 2 227.352 0.036 20 0 BCADLP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662273757 412064668 /nfs/dbraw/zinc/06/46/68/412064668.db2.gz ZWGJNEINKKNYRM-RYUDHWBXSA-N 3 2 227.352 0.036 20 0 BCADLP COC[C@H](C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C)OC ZINC000662275988 412067793 /nfs/dbraw/zinc/06/77/93/412067793.db2.gz GMEBXADSEOGOJK-GUBZILKMSA-N 2 2 202.298 0.069 20 0 BCADLP COC[C@H](C[N@H+]1CC[C@H]([NH3+])[C@@H]1C)OC ZINC000662275988 412067797 /nfs/dbraw/zinc/06/77/97/412067797.db2.gz GMEBXADSEOGOJK-GUBZILKMSA-N 2 2 202.298 0.069 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000662280058 412070992 /nfs/dbraw/zinc/07/09/92/412070992.db2.gz XOIKGCUODFNNFR-VXGBXAGGSA-N 2 2 226.320 0.086 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCOC[C@@H]1C1CC1 ZINC000662280058 412070994 /nfs/dbraw/zinc/07/09/94/412070994.db2.gz XOIKGCUODFNNFR-VXGBXAGGSA-N 2 2 226.320 0.086 20 0 BCADLP CC[C@@](C)([NH2+]Cc1c[nH+]cn1C)C(N)=O ZINC000336694800 171175356 /nfs/dbraw/zinc/17/53/56/171175356.db2.gz NNSNQULXBWLFNN-SNVBAGLBSA-N 2 2 210.281 0.164 20 0 BCADLP CC[C@@]1(C(=O)NCc2[nH]c[nH+]c2C)CCC[NH2+]1 ZINC000274637069 171196490 /nfs/dbraw/zinc/19/64/90/171196490.db2.gz SOBMGBZPSFXLJX-LBPRGKRZSA-N 2 2 236.319 0.867 20 0 BCADLP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2C[NH2+]CCO2)C[C@@H]1C[NH3+] ZINC000662282399 412072420 /nfs/dbraw/zinc/07/24/20/412072420.db2.gz HEZBNYMWEDDTTK-MROQNXINSA-N 3 2 241.379 0.280 20 0 BCADLP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2C[NH2+]CCO2)C[C@@H]1C[NH3+] ZINC000662282399 412072424 /nfs/dbraw/zinc/07/24/24/412072424.db2.gz HEZBNYMWEDDTTK-MROQNXINSA-N 3 2 241.379 0.280 20 0 BCADLP C[N@H+](CCc1nccs1)C[C@@H]1C[NH2+]CCO1 ZINC000662281474 412072893 /nfs/dbraw/zinc/07/28/93/412072893.db2.gz XTIQOUKJOISNIH-JTQLQIEISA-N 2 2 241.360 0.606 20 0 BCADLP C[N@@H+](CCc1nccs1)C[C@@H]1C[NH2+]CCO1 ZINC000662281474 412072896 /nfs/dbraw/zinc/07/28/96/412072896.db2.gz XTIQOUKJOISNIH-JTQLQIEISA-N 2 2 241.360 0.606 20 0 BCADLP CC[C@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)[NH+](C)C ZINC000268744564 171231920 /nfs/dbraw/zinc/23/19/20/171231920.db2.gz DWZLWFUHIGBGAR-WDEREUQCSA-N 2 2 238.335 0.728 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)[C@H]1CCCOC1 ZINC000662281726 412073631 /nfs/dbraw/zinc/07/36/31/412073631.db2.gz LJOSDBNKFWOVLD-SRVKXCTJSA-N 2 2 228.336 0.380 20 0 BCADLP CCc1nocc1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000662281253 412073678 /nfs/dbraw/zinc/07/36/78/412073678.db2.gz LBEKIDLGOHFRIP-LLVKDONJSA-N 2 2 239.319 0.787 20 0 BCADLP CCc1nocc1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000662281253 412073682 /nfs/dbraw/zinc/07/36/82/412073682.db2.gz LBEKIDLGOHFRIP-LLVKDONJSA-N 2 2 239.319 0.787 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000108369772 171243882 /nfs/dbraw/zinc/24/38/82/171243882.db2.gz XKAAQIOCNYFSGD-LLVKDONJSA-N 2 2 227.352 0.713 20 0 BCADLP c1cncc([C@H]2CC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)c1 ZINC000662283920 412074472 /nfs/dbraw/zinc/07/44/72/412074472.db2.gz RKPAYZOEXVZMGZ-KBPBESRZSA-N 2 2 247.342 0.859 20 0 BCADLP c1cncc([C@H]2CC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)c1 ZINC000662283920 412074476 /nfs/dbraw/zinc/07/44/76/412074476.db2.gz RKPAYZOEXVZMGZ-KBPBESRZSA-N 2 2 247.342 0.859 20 0 BCADLP CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1=O ZINC000662283144 412074801 /nfs/dbraw/zinc/07/48/01/412074801.db2.gz LTRZNRNQPMTXRW-GMTAPVOTSA-N 2 2 225.336 0.467 20 0 BCADLP C[C@@H](CO)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662286201 412076327 /nfs/dbraw/zinc/07/63/27/412076327.db2.gz POSYFNIWRAQODS-WCQYABFASA-N 2 2 242.363 0.315 20 0 BCADLP OCC[C@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662298479 412084036 /nfs/dbraw/zinc/08/40/36/412084036.db2.gz CZRUUKZHTAXIPC-NEPJUHHUSA-N 2 2 228.336 0.212 20 0 BCADLP OCC[C@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662298479 412084037 /nfs/dbraw/zinc/08/40/37/412084037.db2.gz CZRUUKZHTAXIPC-NEPJUHHUSA-N 2 2 228.336 0.212 20 0 BCADLP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC([NH3+])CC1 ZINC000034939786 171330980 /nfs/dbraw/zinc/33/09/80/171330980.db2.gz GSMUECLARWLJRR-VHSXEESVSA-N 2 2 227.352 0.713 20 0 BCADLP Cc1ccccc1C[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662288391 412079390 /nfs/dbraw/zinc/07/93/90/412079390.db2.gz HILABIGNXQHOFE-CYBMUJFWSA-N 2 2 238.331 0.109 20 0 BCADLP Cc1ccccc1C[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662288391 412079394 /nfs/dbraw/zinc/07/93/94/412079394.db2.gz HILABIGNXQHOFE-CYBMUJFWSA-N 2 2 238.331 0.109 20 0 BCADLP [NH3+]CC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291327 412080003 /nfs/dbraw/zinc/08/00/03/412080003.db2.gz DWFFFHIZASPSKJ-GFCCVEGCSA-N 3 2 211.353 0.657 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@H+](C)CC(C)(C)[NH3+] ZINC000662294162 412081094 /nfs/dbraw/zinc/08/10/94/412081094.db2.gz JGGMRJIANCAOCX-QMMMGPOBSA-N 2 2 201.314 0.132 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662294162 412081097 /nfs/dbraw/zinc/08/10/97/412081097.db2.gz JGGMRJIANCAOCX-QMMMGPOBSA-N 2 2 201.314 0.132 20 0 BCADLP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)CC(C)(C)[NH3+] ZINC000662293283 412081551 /nfs/dbraw/zinc/08/15/51/412081551.db2.gz FTTHNEGNSNKIJI-SNVBAGLBSA-N 3 2 227.352 0.177 20 0 BCADLP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)CC(C)(C)[NH3+] ZINC000662293283 412081553 /nfs/dbraw/zinc/08/15/53/412081553.db2.gz FTTHNEGNSNKIJI-SNVBAGLBSA-N 3 2 227.352 0.177 20 0 BCADLP C[C@H](CO)[C@H]1CCCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662300718 412087113 /nfs/dbraw/zinc/08/71/13/412087113.db2.gz HWLVNEJAHNNVBQ-JHJVBQTASA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H](CO)[C@H]1CCCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662300718 412087114 /nfs/dbraw/zinc/08/71/14/412087114.db2.gz HWLVNEJAHNNVBQ-JHJVBQTASA-N 2 2 242.363 0.458 20 0 BCADLP COCC1([N@H+](C)C[C@H]2C[NH2+]CCO2)CC1 ZINC000662298993 412087194 /nfs/dbraw/zinc/08/71/94/412087194.db2.gz IGXXDUHUTXGSOJ-SNVBAGLBSA-N 2 2 214.309 0.086 20 0 BCADLP COCC1([N@@H+](C)C[C@H]2C[NH2+]CCO2)CC1 ZINC000662298993 412087197 /nfs/dbraw/zinc/08/71/97/412087197.db2.gz IGXXDUHUTXGSOJ-SNVBAGLBSA-N 2 2 214.309 0.086 20 0 BCADLP [NH3+]CC12CC(C1)C[N@@H+]2CCCN1CCOCC1 ZINC000662303386 412089450 /nfs/dbraw/zinc/08/94/50/412089450.db2.gz BRMXTUYVNRVUKW-UHFFFAOYSA-N 2 2 239.363 0.132 20 0 BCADLP [NH3+]CC12CC(C1)C[N@H+]2CCCN1CCOCC1 ZINC000662303386 412089453 /nfs/dbraw/zinc/08/94/53/412089453.db2.gz BRMXTUYVNRVUKW-UHFFFAOYSA-N 2 2 239.363 0.132 20 0 BCADLP CC[C@H]1C(=O)N(CC)CC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000662306588 412091572 /nfs/dbraw/zinc/09/15/72/412091572.db2.gz SCRIBWJMPVKZJE-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP CC[C@H]1C(=O)N(CC)CC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000662306588 412091575 /nfs/dbraw/zinc/09/15/75/412091575.db2.gz SCRIBWJMPVKZJE-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP [NH3+]CC12CC(C1)C[N@@H+]2CCN1CCCC1=O ZINC000662306878 412092352 /nfs/dbraw/zinc/09/23/52/412092352.db2.gz GUEAONYAQFBRIM-UHFFFAOYSA-N 2 2 223.320 0.032 20 0 BCADLP [NH3+]CC12CC(C1)C[N@H+]2CCN1CCCC1=O ZINC000662306878 412092355 /nfs/dbraw/zinc/09/23/55/412092355.db2.gz GUEAONYAQFBRIM-UHFFFAOYSA-N 2 2 223.320 0.032 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000662315467 412096517 /nfs/dbraw/zinc/09/65/17/412096517.db2.gz PZNGKEZDLTVUPS-CHWSQXEVSA-N 2 2 240.347 0.477 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000662315467 412096519 /nfs/dbraw/zinc/09/65/19/412096519.db2.gz PZNGKEZDLTVUPS-CHWSQXEVSA-N 2 2 240.347 0.477 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662317523 412098096 /nfs/dbraw/zinc/09/80/96/412098096.db2.gz QQDVSGAYIKKLOE-ZJUUUORDSA-N 2 2 228.340 0.021 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662317523 412098100 /nfs/dbraw/zinc/09/81/00/412098100.db2.gz QQDVSGAYIKKLOE-ZJUUUORDSA-N 2 2 228.340 0.021 20 0 BCADLP C[C@]1(C(F)F)C[N@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000662335755 412107206 /nfs/dbraw/zinc/10/72/06/412107206.db2.gz QGLIBMQZNCLZBE-MWLCHTKSSA-N 2 2 234.290 0.952 20 0 BCADLP C[C@]1(C(F)F)C[N@@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000662335755 412107210 /nfs/dbraw/zinc/10/72/10/412107210.db2.gz QGLIBMQZNCLZBE-MWLCHTKSSA-N 2 2 234.290 0.952 20 0 BCADLP CC[C@@H]([NH2+]C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000662381842 412133795 /nfs/dbraw/zinc/13/37/95/412133795.db2.gz HJUXKSRCOBTHRB-NXEZZACHSA-N 2 2 224.308 0.386 20 0 BCADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000665237069 412177095 /nfs/dbraw/zinc/17/70/95/412177095.db2.gz ZMGCJYKRZLBZRV-QEYWKRMJSA-N 2 2 223.324 0.999 20 0 BCADLP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C2)c2[nH+]ccn21 ZINC000665241138 412182294 /nfs/dbraw/zinc/18/22/94/412182294.db2.gz AECISWNCDHWWJX-KXUCPTDWSA-N 2 2 206.293 0.840 20 0 BCADLP C[C@@H](Cc1cnccn1)[NH2+][C@H]1CC[NH2+]C1 ZINC000665241208 412182824 /nfs/dbraw/zinc/18/28/24/412182824.db2.gz DRDDUCXSNUMDCY-UWVGGRQHSA-N 2 2 206.293 0.359 20 0 BCADLP c1c[nH+]c([C@H](N[C@H]2CC[NH2+]C2)c2cccnc2)[nH]1 ZINC000665242218 412185608 /nfs/dbraw/zinc/18/56/08/412185608.db2.gz OSKZAZAIQWTTKF-NWDGAFQWSA-N 2 2 243.314 0.846 20 0 BCADLP CC[C@@H](O)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000665261414 412203605 /nfs/dbraw/zinc/20/36/05/412203605.db2.gz BWEHDPWQHLZVAF-GRYCIOLGSA-N 2 2 228.336 0.114 20 0 BCADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[NH2+]C3)ccn12 ZINC000662400793 412149194 /nfs/dbraw/zinc/14/91/94/412149194.db2.gz GAUARMCWCBYHAJ-NSHDSACASA-N 2 2 244.298 0.734 20 0 BCADLP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000662418664 412160389 /nfs/dbraw/zinc/16/03/89/412160389.db2.gz WVQNZTGDDIMXKV-LLVKDONJSA-N 2 2 225.336 0.291 20 0 BCADLP C[C@@H]1[C@@H](Nc2cc[nH+]c(N(C)C)n2)CCC[N@@H+]1C ZINC000343612175 412167636 /nfs/dbraw/zinc/16/76/36/412167636.db2.gz VLNIHSGIPOZMBQ-MNOVXSKESA-N 2 2 249.362 1.437 20 0 BCADLP C[C@@H]1[C@@H](Nc2cc[nH+]c(N(C)C)n2)CCC[N@H+]1C ZINC000343612175 412167640 /nfs/dbraw/zinc/16/76/40/412167640.db2.gz VLNIHSGIPOZMBQ-MNOVXSKESA-N 2 2 249.362 1.437 20 0 BCADLP C[C@@H]1[C@H](Nc2cc[nH+]c(N(C)C)n2)CCC[N@@H+]1C ZINC000343612145 412167692 /nfs/dbraw/zinc/16/76/92/412167692.db2.gz VLNIHSGIPOZMBQ-GHMZBOCLSA-N 2 2 249.362 1.437 20 0 BCADLP C[C@@H]1[C@H](Nc2cc[nH+]c(N(C)C)n2)CCC[N@H+]1C ZINC000343612145 412167695 /nfs/dbraw/zinc/16/76/95/412167695.db2.gz VLNIHSGIPOZMBQ-GHMZBOCLSA-N 2 2 249.362 1.437 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422749249 412173317 /nfs/dbraw/zinc/17/33/17/412173317.db2.gz YEWSGXVGEPIBRQ-OOCWMUITSA-N 2 2 210.321 0.894 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)[C@@H]1CCOC1 ZINC000665234548 412174611 /nfs/dbraw/zinc/17/46/11/412174611.db2.gz FQCIBMDBUGBDAS-UMSGYPCISA-N 2 2 242.363 0.626 20 0 BCADLP C[C@H](CC(=O)N1CC2CC1(C[NH3+])C2)n1cc[nH+]c1 ZINC000662684306 412270512 /nfs/dbraw/zinc/27/05/12/412270512.db2.gz UIHAFQVQKBMFDB-XSRFYTQQSA-N 2 2 248.330 0.784 20 0 BCADLP [NH3+][C@H]1C[C@H](C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000662694274 412273487 /nfs/dbraw/zinc/27/34/87/412273487.db2.gz ZTMZBFFBJOAQRL-DCAQKATOSA-N 2 2 248.330 0.853 20 0 BCADLP COc1cc[nH+]cc1NC(=O)CC1([NH3+])CC1 ZINC000662701512 412275165 /nfs/dbraw/zinc/27/51/65/412275165.db2.gz QFRHYBMXXPJHBC-UHFFFAOYSA-N 2 2 221.260 0.910 20 0 BCADLP C[C@H]1[C@H](Nc2cc[nH+]c(N(C)C)n2)CCC[N@@H+]1C ZINC000343612183 412275930 /nfs/dbraw/zinc/27/59/30/412275930.db2.gz VLNIHSGIPOZMBQ-WDEREUQCSA-N 2 2 249.362 1.437 20 0 BCADLP [NH3+]C1(CC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000662699546 412276013 /nfs/dbraw/zinc/27/60/13/412276013.db2.gz BSOBOHHHDQMROP-UHFFFAOYSA-N 2 2 248.330 0.997 20 0 BCADLP CC1(C)CC[NH2+][C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000662731934 412286782 /nfs/dbraw/zinc/28/67/82/412286782.db2.gz LMOPGOUHYQAHLD-SECBINFHSA-N 2 2 222.292 0.414 20 0 BCADLP CC1(C)CC[NH2+][C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000662731053 412286924 /nfs/dbraw/zinc/28/69/24/412286924.db2.gz WZBIYNVOMCOHQH-SNVBAGLBSA-N 2 2 236.319 0.457 20 0 BCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279464 412221493 /nfs/dbraw/zinc/22/14/93/412221493.db2.gz CWYCGTSFHGKZFI-GMKTYKIGSA-N 3 2 239.363 0.095 20 0 BCADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665280221 412224816 /nfs/dbraw/zinc/22/48/16/412224816.db2.gz WEUURQTWAJCFHU-CMOBGSAGSA-N 3 2 223.364 0.846 20 0 BCADLP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665280222 412224976 /nfs/dbraw/zinc/22/49/76/412224976.db2.gz WEUURQTWAJCFHU-QBHFIFKDSA-N 3 2 223.364 0.846 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(C)(C)C[NH3+] ZINC000662585609 412230276 /nfs/dbraw/zinc/23/02/76/412230276.db2.gz KVPSMEUSPQPQDE-UHFFFAOYSA-N 2 2 210.281 0.353 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(C)(C)C[NH3+] ZINC000662585609 412230279 /nfs/dbraw/zinc/23/02/79/412230279.db2.gz KVPSMEUSPQPQDE-UHFFFAOYSA-N 2 2 210.281 0.353 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000662586020 412230290 /nfs/dbraw/zinc/23/02/90/412230290.db2.gz NZZCDQSQUMFHIO-GXSJLCMTSA-N 2 2 236.319 0.886 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000662586020 412230293 /nfs/dbraw/zinc/23/02/93/412230293.db2.gz NZZCDQSQUMFHIO-GXSJLCMTSA-N 2 2 236.319 0.886 20 0 BCADLP CCC[C@@](C)([NH3+])C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662586372 412230989 /nfs/dbraw/zinc/23/09/89/412230989.db2.gz TUMQYWBBYHYSKO-LLVKDONJSA-N 2 2 224.308 0.886 20 0 BCADLP CCC[C@@](C)([NH3+])C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662586372 412230991 /nfs/dbraw/zinc/23/09/91/412230991.db2.gz TUMQYWBBYHYSKO-LLVKDONJSA-N 2 2 224.308 0.886 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCc2c1cnn2C ZINC000665295438 412238733 /nfs/dbraw/zinc/23/87/33/412238733.db2.gz DOPZVNXQAFHVIP-ONGXEEELSA-N 2 2 222.336 0.995 20 0 BCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H](C)C[NH2+]C ZINC000665294771 412240614 /nfs/dbraw/zinc/24/06/14/412240614.db2.gz WJLBUOHMWKLBPN-GHMZBOCLSA-N 2 2 229.368 0.831 20 0 BCADLP [NH3+]C1(C(=O)NCc2[nH]cc[nH+]2)CC2(CCC2)C1 ZINC000662732522 412288106 /nfs/dbraw/zinc/28/81/06/412288106.db2.gz XALAPWPDMYDHRD-UHFFFAOYSA-N 2 2 234.303 0.688 20 0 BCADLP CCn1nccc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000665299565 412248118 /nfs/dbraw/zinc/24/81/18/412248118.db2.gz PKZDBHGHYPOGNG-WDEREUQCSA-N 2 2 208.309 0.872 20 0 BCADLP CC(C)c1nc(NC[C@@H]2C[NH2+]CCN2C)cc[nH+]1 ZINC000420266151 412323173 /nfs/dbraw/zinc/32/31/73/412323173.db2.gz FUYJBHNPWAVEFK-NSHDSACASA-N 2 2 249.362 0.916 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)C[NH2+]C ZINC000662900430 412339951 /nfs/dbraw/zinc/33/99/51/412339951.db2.gz OQXLPBATHFYOGU-QMMMGPOBSA-N 2 2 210.281 0.300 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)C[C@@H](C)[NH3+] ZINC000662899594 412339990 /nfs/dbraw/zinc/33/99/90/412339990.db2.gz GGPOCCCQTFUZTE-BDAKNGLRSA-N 2 2 224.308 0.818 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662903240 412341555 /nfs/dbraw/zinc/34/15/55/412341555.db2.gz XTCVRWKKILUAJZ-GUBZILKMSA-N 2 2 236.319 0.818 20 0 BCADLP CC(C)[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000662917220 412344461 /nfs/dbraw/zinc/34/44/61/412344461.db2.gz LEQSTEWRDAATIK-RYUDHWBXSA-N 2 2 241.379 0.816 20 0 BCADLP C[C@@H](NC(=O)C(C)(C)C[NH3+])c1[nH+]ccn1C ZINC000662932753 412348739 /nfs/dbraw/zinc/34/87/39/412348739.db2.gz FGKFGULYCOTRSJ-MRVPVSSYSA-N 2 2 224.308 0.582 20 0 BCADLP C[C@@H](NC(=O)[C@@]1(C)CC[NH2+]C1)c1[nH+]ccn1C ZINC000662935618 412349287 /nfs/dbraw/zinc/34/92/87/412349287.db2.gz WTPKLNOXXYWFQA-SKDRFNHKSA-N 2 2 236.319 0.597 20 0 BCADLP CC(C)[NH2+]CCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662935651 412349643 /nfs/dbraw/zinc/34/96/43/412349643.db2.gz XFPNLHPOYOUZSX-JTQLQIEISA-N 2 2 238.335 0.985 20 0 BCADLP C[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)c1[nH+]ccn1C ZINC000662935757 412349763 /nfs/dbraw/zinc/34/97/63/412349763.db2.gz ZCSPVNKDHADNKI-NXEZZACHSA-N 2 2 236.319 0.739 20 0 BCADLP CC(C)[C@H]([NH3+])C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662934733 412349893 /nfs/dbraw/zinc/34/98/93/412349893.db2.gz QBUOGICFVRDHIE-BDAKNGLRSA-N 2 2 224.308 0.581 20 0 BCADLP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000662968137 412359647 /nfs/dbraw/zinc/35/96/47/412359647.db2.gz FOPJLPTXFPSBJX-NXEZZACHSA-N 2 2 236.319 0.170 20 0 BCADLP [NH3+]CCCCNc1cc[nH+]c(C2CC2)n1 ZINC000420228105 412299212 /nfs/dbraw/zinc/29/92/12/412299212.db2.gz DRFURYXHSBIVDS-UHFFFAOYSA-N 2 2 206.293 1.505 20 0 BCADLP CC1(C)CC[NH2+][C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000662791290 412304180 /nfs/dbraw/zinc/30/41/80/412304180.db2.gz IWAFGKIJNWSHRD-VIFPVBQESA-N 2 2 222.292 0.414 20 0 BCADLP CC1(C)CC[NH2+][C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000662791290 412304182 /nfs/dbraw/zinc/30/41/82/412304182.db2.gz IWAFGKIJNWSHRD-VIFPVBQESA-N 2 2 222.292 0.414 20 0 BCADLP CCc1[nH+]ccn1C[C@@H](O)C[NH+]1CCOCC1 ZINC000305284451 172025671 /nfs/dbraw/zinc/02/56/71/172025671.db2.gz DDWMDOVOZBZBLO-NSHDSACASA-N 2 2 239.319 0.139 20 0 BCADLP CCn1cc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cn1 ZINC000309954830 172174719 /nfs/dbraw/zinc/17/47/19/172174719.db2.gz HVBSKMSMBBNEDH-ZYHUDNBSSA-N 2 2 222.336 0.943 20 0 BCADLP CCn1cnnc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300410894 172237050 /nfs/dbraw/zinc/23/70/50/172237050.db2.gz KNEZPDMFAAGYLY-MNOVXSKESA-N 2 2 237.351 0.870 20 0 BCADLP CCn1cnnc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300410894 172237051 /nfs/dbraw/zinc/23/70/51/172237051.db2.gz KNEZPDMFAAGYLY-MNOVXSKESA-N 2 2 237.351 0.870 20 0 BCADLP CN(C(=O)C[NH+]1CCC([NH3+])CC1)C1CC1 ZINC000049303551 172308049 /nfs/dbraw/zinc/30/80/49/172308049.db2.gz HVODXKKWOQSEIV-UHFFFAOYSA-N 2 2 211.309 0.030 20 0 BCADLP CN(C(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000050247295 172310081 /nfs/dbraw/zinc/31/00/81/172310081.db2.gz XRGDZPXDKGYVHA-LBPRGKRZSA-N 2 2 247.342 0.930 20 0 BCADLP CN(C(=O)C[N@H+]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000050247295 172310083 /nfs/dbraw/zinc/31/00/83/172310083.db2.gz XRGDZPXDKGYVHA-LBPRGKRZSA-N 2 2 247.342 0.930 20 0 BCADLP CN(C)C(=[NH2+])NCc1c[nH+]c2n1CCCC2 ZINC000376730608 172353224 /nfs/dbraw/zinc/35/32/24/172353224.db2.gz YVXVOBJXRXUUOH-UHFFFAOYSA-N 2 2 221.308 0.805 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000264047700 173049543 /nfs/dbraw/zinc/04/95/43/173049543.db2.gz RYBPYOQJJHHRJR-VIFPVBQESA-N 2 2 222.292 0.131 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000264047700 173049546 /nfs/dbraw/zinc/04/95/46/173049546.db2.gz RYBPYOQJJHHRJR-VIFPVBQESA-N 2 2 222.292 0.131 20 0 BCADLP C[N@@H+]1CCC[C@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284000288 173053394 /nfs/dbraw/zinc/05/33/94/173053394.db2.gz NMUPJANNMOIMGZ-ZWNMCFTASA-N 2 2 234.303 0.633 20 0 BCADLP C[N@H+]1CCC[C@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284000288 173053396 /nfs/dbraw/zinc/05/33/96/173053396.db2.gz NMUPJANNMOIMGZ-ZWNMCFTASA-N 2 2 234.303 0.633 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCOC1(C)C ZINC000336896326 173076848 /nfs/dbraw/zinc/07/68/48/173076848.db2.gz NXYXZJCQJATXDS-NEPJUHHUSA-N 2 2 241.379 0.389 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCOC1(C)C ZINC000336896326 173076850 /nfs/dbraw/zinc/07/68/50/173076850.db2.gz NXYXZJCQJATXDS-NEPJUHHUSA-N 2 2 241.379 0.389 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1cc[nH]c1 ZINC000227497799 173077663 /nfs/dbraw/zinc/07/76/63/173077663.db2.gz DJSWAHOFNISWDM-LBPRGKRZSA-N 2 2 222.336 0.350 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1cc[nH]c1 ZINC000227497799 173077665 /nfs/dbraw/zinc/07/76/65/173077665.db2.gz DJSWAHOFNISWDM-LBPRGKRZSA-N 2 2 222.336 0.350 20 0 BCADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000036426723 173086340 /nfs/dbraw/zinc/08/63/40/173086340.db2.gz OFOFQLCMTNDASH-CYBMUJFWSA-N 2 2 219.332 0.761 20 0 BCADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000036426723 173086343 /nfs/dbraw/zinc/08/63/43/173086343.db2.gz OFOFQLCMTNDASH-CYBMUJFWSA-N 2 2 219.332 0.761 20 0 BCADLP Cn1c[nH+]cc1CN1CC[N@H+](C)CC1(C)C ZINC000270981497 173091339 /nfs/dbraw/zinc/09/13/39/173091339.db2.gz CMGXWAJAVMUMLR-UHFFFAOYSA-N 2 2 222.336 0.946 20 0 BCADLP Cn1c[nH+]cc1CN1CC[N@@H+](C)CC1(C)C ZINC000270981497 173091342 /nfs/dbraw/zinc/09/13/42/173091342.db2.gz CMGXWAJAVMUMLR-UHFFFAOYSA-N 2 2 222.336 0.946 20 0 BCADLP C[N@@H+]1CC[C@@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000282579857 173113070 /nfs/dbraw/zinc/11/30/70/173113070.db2.gz BEPQXYITEYEGNG-PBKGFPTLSA-N 2 2 234.303 0.491 20 0 BCADLP C[N@H+]1CC[C@@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000282579857 173113074 /nfs/dbraw/zinc/11/30/74/173113074.db2.gz BEPQXYITEYEGNG-PBKGFPTLSA-N 2 2 234.303 0.491 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000336469403 173159523 /nfs/dbraw/zinc/15/95/23/173159523.db2.gz BSXYGPXNGGMURR-WCQYABFASA-N 2 2 234.347 0.946 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000336469403 173159525 /nfs/dbraw/zinc/15/95/25/173159525.db2.gz BSXYGPXNGGMURR-WCQYABFASA-N 2 2 234.347 0.946 20 0 BCADLP Cn1nccc1CC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000375250877 173160580 /nfs/dbraw/zinc/16/05/80/173160580.db2.gz XMQILXMUXJVPCI-JSGCOSHPSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1nccc1CC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000375250877 173160582 /nfs/dbraw/zinc/16/05/82/173160582.db2.gz XMQILXMUXJVPCI-JSGCOSHPSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1nccc1CC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000375250877 173160583 /nfs/dbraw/zinc/16/05/83/173160583.db2.gz XMQILXMUXJVPCI-JSGCOSHPSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1nccc1CC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000375250877 173160585 /nfs/dbraw/zinc/16/05/85/173160585.db2.gz XMQILXMUXJVPCI-JSGCOSHPSA-N 2 2 248.374 0.989 20 0 BCADLP C[N@@H+]1CC[C@H]2CC[NH+](CCn3cccn3)[C@H]2C1 ZINC000373135889 173161252 /nfs/dbraw/zinc/16/12/52/173161252.db2.gz BIQSXRHXFMJHRB-STQMWFEESA-N 2 2 234.347 0.909 20 0 BCADLP C[N@H+]1CC[C@H]2CC[NH+](CCn3cccn3)[C@H]2C1 ZINC000373135889 173161253 /nfs/dbraw/zinc/16/12/53/173161253.db2.gz BIQSXRHXFMJHRB-STQMWFEESA-N 2 2 234.347 0.909 20 0 BCADLP C[NH+]1CC[C@H]2CC[N@H+](CCn3cccn3)[C@H]2C1 ZINC000373135889 173161256 /nfs/dbraw/zinc/16/12/56/173161256.db2.gz BIQSXRHXFMJHRB-STQMWFEESA-N 2 2 234.347 0.909 20 0 BCADLP C[NH+]1CC[C@H]2CC[N@@H+](CCn3cccn3)[C@H]2C1 ZINC000373135889 173161258 /nfs/dbraw/zinc/16/12/58/173161258.db2.gz BIQSXRHXFMJHRB-STQMWFEESA-N 2 2 234.347 0.909 20 0 BCADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc[nH]n3)C2)C1 ZINC000292890026 173167070 /nfs/dbraw/zinc/16/70/70/173167070.db2.gz YSFYTGSYNFTFDP-LBPRGKRZSA-N 2 2 220.320 0.937 20 0 BCADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc[nH]n3)C2)C1 ZINC000292890026 173167073 /nfs/dbraw/zinc/16/70/73/173167073.db2.gz YSFYTGSYNFTFDP-LBPRGKRZSA-N 2 2 220.320 0.937 20 0 BCADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc[nH]n3)C2)C1 ZINC000292890026 173167075 /nfs/dbraw/zinc/16/70/75/173167075.db2.gz YSFYTGSYNFTFDP-LBPRGKRZSA-N 2 2 220.320 0.937 20 0 BCADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc[nH]n3)C2)C1 ZINC000292890026 173167077 /nfs/dbraw/zinc/16/70/77/173167077.db2.gz YSFYTGSYNFTFDP-LBPRGKRZSA-N 2 2 220.320 0.937 20 0 BCADLP C[NH+]1CCC[C@H]1CC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000365873027 173198057 /nfs/dbraw/zinc/19/80/57/173198057.db2.gz LJPGXPLSAJBELA-MJBXVCDLSA-N 3 2 237.391 0.964 20 0 BCADLP C[NH+]1CCC[C@H]1CC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000365873027 173198059 /nfs/dbraw/zinc/19/80/59/173198059.db2.gz LJPGXPLSAJBELA-MJBXVCDLSA-N 3 2 237.391 0.964 20 0 BCADLP C[NH+]1C[C@@H]2C[N@@H+](CC[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC000365873027 173198062 /nfs/dbraw/zinc/19/80/62/173198062.db2.gz LJPGXPLSAJBELA-MJBXVCDLSA-N 3 2 237.391 0.964 20 0 BCADLP C[NH+]1C[C@@H]2C[N@H+](CC[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC000365873027 173198063 /nfs/dbraw/zinc/19/80/63/173198063.db2.gz LJPGXPLSAJBELA-MJBXVCDLSA-N 3 2 237.391 0.964 20 0 BCADLP CNC(=O)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243053 173251600 /nfs/dbraw/zinc/25/16/00/173251600.db2.gz GXZILMROZZRCQP-UHFFFAOYSA-N 2 2 236.319 0.656 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000341907313 173280850 /nfs/dbraw/zinc/28/08/50/173280850.db2.gz ZCGXJDURECJXAN-GFCCVEGCSA-N 2 2 241.379 0.833 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000341907314 173281940 /nfs/dbraw/zinc/28/19/40/173281940.db2.gz ZCGXJDURECJXAN-LBPRGKRZSA-N 2 2 241.379 0.833 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000336756586 173282215 /nfs/dbraw/zinc/28/22/15/173282215.db2.gz IRWNXXHSSSABTQ-VHSXEESVSA-N 2 2 213.325 0.195 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000336756586 173282216 /nfs/dbraw/zinc/28/22/16/173282216.db2.gz IRWNXXHSSSABTQ-VHSXEESVSA-N 2 2 213.325 0.195 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000358288770 173282972 /nfs/dbraw/zinc/28/29/72/173282972.db2.gz OHUVEHZWMSBIQW-WOPDTQHZSA-N 2 2 241.379 0.829 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000358288770 173282973 /nfs/dbraw/zinc/28/29/73/173282973.db2.gz OHUVEHZWMSBIQW-WOPDTQHZSA-N 2 2 241.379 0.829 20 0 BCADLP C[NH2+]C1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000335622413 173322827 /nfs/dbraw/zinc/32/28/27/173322827.db2.gz JISYKCRGPCMVQS-GFCCVEGCSA-N 3 2 211.353 0.670 20 0 BCADLP C[NH2+]CC(=O)NCc1cn2ccccc2[nH+]1 ZINC000083909169 173330976 /nfs/dbraw/zinc/33/09/76/173330976.db2.gz PZAGTXXISVJVKK-UHFFFAOYSA-N 2 2 218.260 0.170 20 0 BCADLP C[NH2+]CCC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000285837383 173340734 /nfs/dbraw/zinc/34/07/34/173340734.db2.gz WAKKJGYCVQVTEY-UHFFFAOYSA-N 2 2 246.314 0.868 20 0 BCADLP C[NH2+]CCC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000262412891 173340936 /nfs/dbraw/zinc/34/09/36/173340936.db2.gz QUASZTSHBLGLRS-UHFFFAOYSA-N 2 2 246.314 0.868 20 0 BCADLP C[NH2+]CCC[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000124910715 173346205 /nfs/dbraw/zinc/34/62/05/173346205.db2.gz DTAZFODZKJNBAU-UHFFFAOYSA-N 2 2 235.331 0.827 20 0 BCADLP C[NH2+]CCC[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000124910715 173346206 /nfs/dbraw/zinc/34/62/06/173346206.db2.gz DTAZFODZKJNBAU-UHFFFAOYSA-N 2 2 235.331 0.827 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCOCCOC ZINC000070027584 173368982 /nfs/dbraw/zinc/36/89/82/173368982.db2.gz AOKPZQKYMPUPEM-NSHDSACASA-N 2 2 216.325 0.333 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCOCCOC ZINC000070027584 173368985 /nfs/dbraw/zinc/36/89/85/173368985.db2.gz AOKPZQKYMPUPEM-NSHDSACASA-N 2 2 216.325 0.333 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC000070799642 173370057 /nfs/dbraw/zinc/37/00/57/173370057.db2.gz VXJMZYIDQTZXKM-NSHDSACASA-N 2 2 225.336 0.054 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000070799642 173370058 /nfs/dbraw/zinc/37/00/58/173370058.db2.gz VXJMZYIDQTZXKM-NSHDSACASA-N 2 2 225.336 0.054 20 0 BCADLP C[NH2+]C[C@H](C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000237322810 173374130 /nfs/dbraw/zinc/37/41/30/173374130.db2.gz CGULBVZZOWQBPK-MNOVXSKESA-N 2 2 238.335 0.491 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NC(C)C)C1 ZINC000040601144 173378448 /nfs/dbraw/zinc/37/84/48/173378448.db2.gz ADXRZJWIJKPQKB-LLVKDONJSA-N 2 2 227.352 0.442 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NC(C)C)C1 ZINC000040601144 173378449 /nfs/dbraw/zinc/37/84/49/173378449.db2.gz ADXRZJWIJKPQKB-LLVKDONJSA-N 2 2 227.352 0.442 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000040591701 173378650 /nfs/dbraw/zinc/37/86/50/173378650.db2.gz ZCPOYHGMXJDMEM-LLVKDONJSA-N 2 2 222.336 0.852 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000040591701 173378652 /nfs/dbraw/zinc/37/86/52/173378652.db2.gz ZCPOYHGMXJDMEM-LLVKDONJSA-N 2 2 222.336 0.852 20 0 BCADLP COC1CC([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000309962348 174018613 /nfs/dbraw/zinc/01/86/13/174018613.db2.gz LWQZQFDENVCFHC-KPPDAEKUSA-N 2 2 221.304 0.965 20 0 BCADLP COCCCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000308586011 174204041 /nfs/dbraw/zinc/20/40/41/174204041.db2.gz IKEIELNFFCNEHD-MNOVXSKESA-N 2 2 200.326 0.953 20 0 BCADLP COCCCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000308586011 174204042 /nfs/dbraw/zinc/20/40/42/174204042.db2.gz IKEIELNFFCNEHD-MNOVXSKESA-N 2 2 200.326 0.953 20 0 BCADLP COCCC[N@H+](C)CCNCc1c[nH+]cn1C ZINC000174525288 174216092 /nfs/dbraw/zinc/21/60/92/174216092.db2.gz UHXSRVGDUDYOLS-UHFFFAOYSA-N 2 2 240.351 0.478 20 0 BCADLP COCCC[N@@H+](C)CCNCc1c[nH+]cn1C ZINC000174525288 174216094 /nfs/dbraw/zinc/21/60/94/174216094.db2.gz UHXSRVGDUDYOLS-UHFFFAOYSA-N 2 2 240.351 0.478 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000356874528 174279118 /nfs/dbraw/zinc/27/91/18/174279118.db2.gz QLOPRQQDONDPFH-CHWSQXEVSA-N 2 2 244.379 0.969 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000356874528 174279119 /nfs/dbraw/zinc/27/91/19/174279119.db2.gz QLOPRQQDONDPFH-CHWSQXEVSA-N 2 2 244.379 0.969 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@@H](COC)C(C)C ZINC000087480261 174279474 /nfs/dbraw/zinc/27/94/74/174279474.db2.gz MPRXRLHGFTUTIH-LBPRGKRZSA-N 2 2 232.368 0.825 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@@H](COC)C(C)C ZINC000087480261 174279476 /nfs/dbraw/zinc/27/94/76/174279476.db2.gz MPRXRLHGFTUTIH-LBPRGKRZSA-N 2 2 232.368 0.825 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@@H]1CCSC1 ZINC000061374954 174279804 /nfs/dbraw/zinc/27/98/04/174279804.db2.gz IRFFYLBMSONKKU-SNVBAGLBSA-N 2 2 218.366 0.660 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@@H]1CCSC1 ZINC000061374954 174279805 /nfs/dbraw/zinc/27/98/05/174279805.db2.gz IRFFYLBMSONKKU-SNVBAGLBSA-N 2 2 218.366 0.660 20 0 BCADLP COCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000105963983 174309979 /nfs/dbraw/zinc/30/99/79/174309979.db2.gz RGQUMAOENLQXOV-UHFFFAOYSA-N 2 2 224.308 0.174 20 0 BCADLP COCC[N@H+]1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC000266422633 174313067 /nfs/dbraw/zinc/31/30/67/174313067.db2.gz SFBQTTSKZNCORB-LLVKDONJSA-N 2 2 236.319 0.918 20 0 BCADLP COCCOCC[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000070027559 174353887 /nfs/dbraw/zinc/35/38/87/174353887.db2.gz XXYLDXYOIWYYFH-NWDGAFQWSA-N 2 2 230.352 0.709 20 0 BCADLP COCCOCC[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000070027559 174353888 /nfs/dbraw/zinc/35/38/88/174353888.db2.gz XXYLDXYOIWYYFH-NWDGAFQWSA-N 2 2 230.352 0.709 20 0 BCADLP COCCOCC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000070531747 174353939 /nfs/dbraw/zinc/35/39/39/174353939.db2.gz ARMLCRUIXSAKGB-RYUDHWBXSA-N 2 2 230.352 0.851 20 0 BCADLP COCCOCC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000070531747 174353940 /nfs/dbraw/zinc/35/39/40/174353940.db2.gz ARMLCRUIXSAKGB-RYUDHWBXSA-N 2 2 230.352 0.851 20 0 BCADLP COCCOCC[N@@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000161217745 174354740 /nfs/dbraw/zinc/35/47/40/174354740.db2.gz STQXDTWLCKASFE-VXGBXAGGSA-N 2 2 246.351 0.088 20 0 BCADLP COCCOCC[N@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000161217745 174354742 /nfs/dbraw/zinc/35/47/42/174354742.db2.gz STQXDTWLCKASFE-VXGBXAGGSA-N 2 2 246.351 0.088 20 0 BCADLP COCCOCC[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000070027570 174355294 /nfs/dbraw/zinc/35/52/94/174355294.db2.gz VBGIBCQFXMHHJC-NEPJUHHUSA-N 2 2 230.352 0.709 20 0 BCADLP COCCOCC[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000070027570 174355295 /nfs/dbraw/zinc/35/52/95/174355295.db2.gz VBGIBCQFXMHHJC-NEPJUHHUSA-N 2 2 230.352 0.709 20 0 BCADLP COCCOCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000308915802 174359312 /nfs/dbraw/zinc/35/93/12/174359312.db2.gz FVGUWZHALHDHRX-MNOVXSKESA-N 2 2 216.325 0.189 20 0 BCADLP COCCOCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000308915802 174359314 /nfs/dbraw/zinc/35/93/14/174359314.db2.gz FVGUWZHALHDHRX-MNOVXSKESA-N 2 2 216.325 0.189 20 0 BCADLP COCCO[C@@H]1CC[N@H+](Cc2c[nH+]cn2C)C1 ZINC000189744172 174365216 /nfs/dbraw/zinc/36/52/16/174365216.db2.gz SZSGMGPBOQFPGO-GFCCVEGCSA-N 2 2 239.319 0.657 20 0 BCADLP COCCO[C@@H]1CC[N@@H+](Cc2c[nH+]cn2C)C1 ZINC000189744172 174365218 /nfs/dbraw/zinc/36/52/18/174365218.db2.gz SZSGMGPBOQFPGO-GFCCVEGCSA-N 2 2 239.319 0.657 20 0 BCADLP COCCO[C@H]1CC[N@H+](Cc2c[nH+]cn2C)C1 ZINC000189744151 174366558 /nfs/dbraw/zinc/36/65/58/174366558.db2.gz SZSGMGPBOQFPGO-LBPRGKRZSA-N 2 2 239.319 0.657 20 0 BCADLP COCCO[C@H]1CC[N@@H+](Cc2c[nH+]cn2C)C1 ZINC000189744151 174366560 /nfs/dbraw/zinc/36/65/60/174366560.db2.gz SZSGMGPBOQFPGO-LBPRGKRZSA-N 2 2 239.319 0.657 20 0 BCADLP C[C@@H]([NH2+][C@H]1CCCCNC1=O)[C@@H]1CCC[NH2+]1 ZINC000333258129 175924810 /nfs/dbraw/zinc/92/48/10/175924810.db2.gz IJAROIIXPXHEOG-VWYCJHECSA-N 2 2 225.336 0.385 20 0 BCADLP C[C@@H]1CC[N@H+](CCO)C[C@@H]1n1cc[nH+]c1 ZINC000156533471 176169608 /nfs/dbraw/zinc/16/96/08/176169608.db2.gz KYCPOJGWDCWHAN-MNOVXSKESA-N 2 2 209.293 0.758 20 0 BCADLP C[C@@H]1CC[N@@H+](CCO)C[C@@H]1n1cc[nH+]c1 ZINC000156533471 176169609 /nfs/dbraw/zinc/16/96/09/176169609.db2.gz KYCPOJGWDCWHAN-MNOVXSKESA-N 2 2 209.293 0.758 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000333311043 176186319 /nfs/dbraw/zinc/18/63/19/176186319.db2.gz RVTBBTCTDDJVOC-SUZMYJTESA-N 2 2 234.347 0.855 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2[nH+]ccn2C)C1 ZINC000127197551 176187638 /nfs/dbraw/zinc/18/76/38/176187638.db2.gz NTHQIMUPJWQNTM-ZJUUUORDSA-N 2 2 236.319 0.424 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC1CC(O)C1 ZINC000336753355 176272183 /nfs/dbraw/zinc/27/21/83/176272183.db2.gz HPCIFXATYJYIOA-YYJSSNLHSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC1CC(O)C1 ZINC000336753355 176272184 /nfs/dbraw/zinc/27/21/84/176272184.db2.gz HPCIFXATYJYIOA-YYJSSNLHSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1O ZINC000348154920 176274469 /nfs/dbraw/zinc/27/44/69/176274469.db2.gz HHMJVPQJMCPFQY-NOOOWODRSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1O ZINC000348154920 176274470 /nfs/dbraw/zinc/27/44/70/176274470.db2.gz HHMJVPQJMCPFQY-NOOOWODRSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1CC[NH+](C2CC2)C1 ZINC000336781704 176275138 /nfs/dbraw/zinc/27/51/38/176275138.db2.gz VIQPUWHWOCJWMU-MDZLAQPJSA-N 2 2 223.364 0.763 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CC[NH+](C2CC2)C1 ZINC000336781704 176275140 /nfs/dbraw/zinc/27/51/40/176275140.db2.gz VIQPUWHWOCJWMU-MDZLAQPJSA-N 2 2 223.364 0.763 20 0 BCADLP C[C@@H]1C[NH+](C)C[C@@H]1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000336781704 176275141 /nfs/dbraw/zinc/27/51/41/176275141.db2.gz VIQPUWHWOCJWMU-MDZLAQPJSA-N 2 2 223.364 0.763 20 0 BCADLP C[C@@H]1C[NH+](C)C[C@@H]1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000336781704 176275143 /nfs/dbraw/zinc/27/51/43/176275143.db2.gz VIQPUWHWOCJWMU-MDZLAQPJSA-N 2 2 223.364 0.763 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(CCO)CC1 ZINC000336756259 176276615 /nfs/dbraw/zinc/27/66/15/176276615.db2.gz JGSUHVRTJJCUNK-GHMZBOCLSA-N 2 2 212.337 0.689 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(CCO)CC1 ZINC000336756259 176276616 /nfs/dbraw/zinc/27/66/16/176276616.db2.gz JGSUHVRTJJCUNK-GHMZBOCLSA-N 2 2 212.337 0.689 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000336777719 176276803 /nfs/dbraw/zinc/27/68/03/176276803.db2.gz JIEFUJYDPPAGEF-VXGBXAGGSA-N 3 2 229.368 0.104 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000336777719 176276805 /nfs/dbraw/zinc/27/68/05/176276805.db2.gz JIEFUJYDPPAGEF-VXGBXAGGSA-N 3 2 229.368 0.104 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCC(=O)NC(C)(C)C ZINC000358137405 176276874 /nfs/dbraw/zinc/27/68/74/176276874.db2.gz UUUJFPCWFDJCAF-GHMZBOCLSA-N 2 2 241.379 0.831 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC(=O)NC(C)(C)C ZINC000358137405 176276876 /nfs/dbraw/zinc/27/68/76/176276876.db2.gz UUUJFPCWFDJCAF-GHMZBOCLSA-N 2 2 241.379 0.831 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000309098328 176277021 /nfs/dbraw/zinc/27/70/21/176277021.db2.gz DQDMKRSOKWHZDI-IJLUTSLNSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000309098328 176277022 /nfs/dbraw/zinc/27/70/22/176277022.db2.gz DQDMKRSOKWHZDI-IJLUTSLNSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(CO)CCC1 ZINC000309163088 176277118 /nfs/dbraw/zinc/27/71/18/176277118.db2.gz ZWDCYUJJTVXCQD-GHMZBOCLSA-N 2 2 212.337 0.689 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(CO)CCC1 ZINC000309163088 176277120 /nfs/dbraw/zinc/27/71/20/176277120.db2.gz ZWDCYUJJTVXCQD-GHMZBOCLSA-N 2 2 212.337 0.689 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCC1(O)CCOCC1 ZINC000353034779 176277826 /nfs/dbraw/zinc/27/78/26/176277826.db2.gz MTHDMWFIXASTND-VXGBXAGGSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC1(O)CCOCC1 ZINC000353034779 176277827 /nfs/dbraw/zinc/27/78/27/176277827.db2.gz MTHDMWFIXASTND-VXGBXAGGSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCC1CC(O)C1 ZINC000336753351 176277842 /nfs/dbraw/zinc/27/78/42/176277842.db2.gz HPCIFXATYJYIOA-HBIQZDMRSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC1CC(O)C1 ZINC000336753351 176277843 /nfs/dbraw/zinc/27/78/43/176277843.db2.gz HPCIFXATYJYIOA-HBIQZDMRSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCCO ZINC000336760017 176281959 /nfs/dbraw/zinc/28/19/59/176281959.db2.gz LVSOHSGUYKMROU-ZYHUDNBSSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCCO ZINC000336760017 176281961 /nfs/dbraw/zinc/28/19/61/176281961.db2.gz LVSOHSGUYKMROU-ZYHUDNBSSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC[NH+](CCCO)CC2)CCO1 ZINC000303108618 176283982 /nfs/dbraw/zinc/28/39/82/176283982.db2.gz IFPLJHUFRWEAPC-GFCCVEGCSA-N 2 2 242.363 0.554 20 0 BCADLP C[C@@H]1C[N@H+](C2CC[NH+](CCCO)CC2)CCO1 ZINC000303108618 176283983 /nfs/dbraw/zinc/28/39/83/176283983.db2.gz IFPLJHUFRWEAPC-GFCCVEGCSA-N 2 2 242.363 0.554 20 0 BCADLP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@@H]1O ZINC000343581642 176290086 /nfs/dbraw/zinc/29/00/86/176290086.db2.gz MTBIATNMZYNGNA-MNOVXSKESA-N 2 2 209.293 0.586 20 0 BCADLP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@@H]1O ZINC000343581642 176290087 /nfs/dbraw/zinc/29/00/87/176290087.db2.gz MTBIATNMZYNGNA-MNOVXSKESA-N 2 2 209.293 0.586 20 0 BCADLP C[C@@H]1C[NH+](CCn2cc[nH+]c2)C[C@@H](C)O1 ZINC000154288559 176296667 /nfs/dbraw/zinc/29/66/67/176296667.db2.gz MIQMRMAEMXTFDI-GHMZBOCLSA-N 2 2 209.293 0.992 20 0 BCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H]1C ZINC000339584161 176298393 /nfs/dbraw/zinc/29/83/93/176298393.db2.gz YJDMBDGTBUWWTJ-CKYFFXLPSA-N 2 2 212.337 0.782 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H]1C ZINC000339584161 176298394 /nfs/dbraw/zinc/29/83/94/176298394.db2.gz YJDMBDGTBUWWTJ-CKYFFXLPSA-N 2 2 212.337 0.782 20 0 BCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@@H]1C ZINC000339584161 176298395 /nfs/dbraw/zinc/29/83/95/176298395.db2.gz YJDMBDGTBUWWTJ-CKYFFXLPSA-N 2 2 212.337 0.782 20 0 BCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@@H]1C ZINC000339584161 176298396 /nfs/dbraw/zinc/29/83/96/176298396.db2.gz YJDMBDGTBUWWTJ-CKYFFXLPSA-N 2 2 212.337 0.782 20 0 BCADLP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000302164237 176341798 /nfs/dbraw/zinc/34/17/98/176341798.db2.gz LPZGJOKBBZPUFZ-AGIUHOORSA-N 2 2 241.379 0.247 20 0 BCADLP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000302164237 176341799 /nfs/dbraw/zinc/34/17/99/176341799.db2.gz LPZGJOKBBZPUFZ-AGIUHOORSA-N 2 2 241.379 0.247 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000336754182 176342388 /nfs/dbraw/zinc/34/23/88/176342388.db2.gz IAFYEGPQCKPKME-WISYIIOYSA-N 2 2 212.337 0.951 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000336754182 176342390 /nfs/dbraw/zinc/34/23/90/176342390.db2.gz IAFYEGPQCKPKME-WISYIIOYSA-N 2 2 212.337 0.951 20 0 BCADLP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000302164238 176344441 /nfs/dbraw/zinc/34/44/41/176344441.db2.gz LPZGJOKBBZPUFZ-FRRDWIJNSA-N 2 2 241.379 0.247 20 0 BCADLP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000302164238 176344443 /nfs/dbraw/zinc/34/44/43/176344443.db2.gz LPZGJOKBBZPUFZ-FRRDWIJNSA-N 2 2 241.379 0.247 20 0 BCADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C)C)CC[N@@H+]1C ZINC000123806599 176370706 /nfs/dbraw/zinc/37/07/06/176370706.db2.gz CGZBCGRWAUWMHP-MNOVXSKESA-N 2 2 227.352 0.489 20 0 BCADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C)C)CC[N@H+]1C ZINC000123806599 176370708 /nfs/dbraw/zinc/37/07/08/176370708.db2.gz CGZBCGRWAUWMHP-MNOVXSKESA-N 2 2 227.352 0.489 20 0 BCADLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N(C)C)CC[NH+]1C ZINC000123806599 176370710 /nfs/dbraw/zinc/37/07/10/176370710.db2.gz CGZBCGRWAUWMHP-MNOVXSKESA-N 2 2 227.352 0.489 20 0 BCADLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)C)CC[NH+]1C ZINC000123806599 176370712 /nfs/dbraw/zinc/37/07/12/176370712.db2.gz CGZBCGRWAUWMHP-MNOVXSKESA-N 2 2 227.352 0.489 20 0 BCADLP C[C@H]1CCC[N@H+](CCN2CCOCC2)[C@@H]1C[NH3+] ZINC000043617081 177097849 /nfs/dbraw/zinc/09/78/49/177097849.db2.gz ARGUKTFCNCZSHI-QWHCGFSZSA-N 2 2 241.379 0.378 20 0 BCADLP C[C@H]1CCC[N@@H+](CCN2CCOCC2)[C@@H]1C[NH3+] ZINC000043617081 177097851 /nfs/dbraw/zinc/09/78/51/177097851.db2.gz ARGUKTFCNCZSHI-QWHCGFSZSA-N 2 2 241.379 0.378 20 0 BCADLP C[C@H]1CCCN(CC[NH+]2CCOCC2)[C@@H]1C[NH3+] ZINC000043617081 177097853 /nfs/dbraw/zinc/09/78/53/177097853.db2.gz ARGUKTFCNCZSHI-QWHCGFSZSA-N 2 2 241.379 0.378 20 0 BCADLP C[C@H]1CCC[N@H+](Cc2cnn(C)c2)[C@@H]1C[NH3+] ZINC000069725880 177102398 /nfs/dbraw/zinc/10/23/98/177102398.db2.gz ALGNDDVUKMHADL-CMPLNLGQSA-N 2 2 222.336 0.979 20 0 BCADLP C[C@H]1CCC[N@@H+](Cc2cnn(C)c2)[C@@H]1C[NH3+] ZINC000069725880 177102399 /nfs/dbraw/zinc/10/23/99/177102399.db2.gz ALGNDDVUKMHADL-CMPLNLGQSA-N 2 2 222.336 0.979 20 0 BCADLP C[C@H]1CC[N@H+](CCn2cc[nH+]c2)[C@@H]1CO ZINC000189730895 177162135 /nfs/dbraw/zinc/16/21/35/177162135.db2.gz FZONMVFZMVXDQH-WDEREUQCSA-N 2 2 209.293 0.586 20 0 BCADLP C[C@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@@H]1CO ZINC000189730895 177162136 /nfs/dbraw/zinc/16/21/36/177162136.db2.gz FZONMVFZMVXDQH-WDEREUQCSA-N 2 2 209.293 0.586 20 0 BCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1[nH]cc[nH+]1 ZINC000330969190 177186701 /nfs/dbraw/zinc/18/67/01/177186701.db2.gz MDWHUDBKFMYYBS-AOOOYVTPSA-N 2 2 236.319 0.899 20 0 BCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1[nH]cc[nH+]1 ZINC000330969190 177186703 /nfs/dbraw/zinc/18/67/03/177186703.db2.gz MDWHUDBKFMYYBS-AOOOYVTPSA-N 2 2 236.319 0.899 20 0 BCADLP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC[NH2+]C(C)(C)C ZINC000042438689 177197741 /nfs/dbraw/zinc/19/77/41/177197741.db2.gz MEJQVZRAMMROSD-QWRGUYRKSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC[NH2+]C(C)(C)C ZINC000042438689 177197743 /nfs/dbraw/zinc/19/77/43/177197743.db2.gz MEJQVZRAMMROSD-QWRGUYRKSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000226401375 177232385 /nfs/dbraw/zinc/23/23/85/177232385.db2.gz MBVOUCDMELLELD-AAEUAGOBSA-N 2 2 247.342 0.849 20 0 BCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000226401375 177232387 /nfs/dbraw/zinc/23/23/87/177232387.db2.gz MBVOUCDMELLELD-AAEUAGOBSA-N 2 2 247.342 0.849 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCn1cccn1 ZINC000336781407 177235420 /nfs/dbraw/zinc/23/54/20/177235420.db2.gz UPPORKFBWCKVAG-RYUDHWBXSA-N 2 2 222.336 0.813 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCn1cccn1 ZINC000336781407 177235422 /nfs/dbraw/zinc/23/54/22/177235422.db2.gz UPPORKFBWCKVAG-RYUDHWBXSA-N 2 2 222.336 0.813 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000336777718 177235731 /nfs/dbraw/zinc/23/57/31/177235731.db2.gz JIEFUJYDPPAGEF-RYUDHWBXSA-N 3 2 229.368 0.104 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000336777718 177235732 /nfs/dbraw/zinc/23/57/32/177235732.db2.gz JIEFUJYDPPAGEF-RYUDHWBXSA-N 3 2 229.368 0.104 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000336748662 177236002 /nfs/dbraw/zinc/23/60/02/177236002.db2.gz DLDIBRHFEJELAE-RYUDHWBXSA-N 3 2 213.369 0.868 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000336748662 177236004 /nfs/dbraw/zinc/23/60/04/177236004.db2.gz DLDIBRHFEJELAE-RYUDHWBXSA-N 3 2 213.369 0.868 20 0 BCADLP C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000358412113 177236186 /nfs/dbraw/zinc/23/61/86/177236186.db2.gz XZCNQTLZORUISN-LOWVWBTDSA-N 2 2 236.363 0.891 20 0 BCADLP C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000358412113 177236187 /nfs/dbraw/zinc/23/61/87/177236187.db2.gz XZCNQTLZORUISN-LOWVWBTDSA-N 2 2 236.363 0.891 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCC1CC(O)C1 ZINC000336753352 177237128 /nfs/dbraw/zinc/23/71/28/177237128.db2.gz HPCIFXATYJYIOA-WNYYMSAVSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC1CC(O)C1 ZINC000336753352 177237129 /nfs/dbraw/zinc/23/71/29/177237129.db2.gz HPCIFXATYJYIOA-WNYYMSAVSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCSCCCO ZINC000336768396 177238040 /nfs/dbraw/zinc/23/80/40/177238040.db2.gz UPZNUWJMPIDJDN-WDEREUQCSA-N 2 2 232.393 0.642 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCSCCCO ZINC000336768396 177238041 /nfs/dbraw/zinc/23/80/41/177238041.db2.gz UPZNUWJMPIDJDN-WDEREUQCSA-N 2 2 232.393 0.642 20 0 BCADLP C[C@H]1C[N@H+](CC(=O)NCC2CC2)CC[C@H]1[NH3+] ZINC000251626331 177243400 /nfs/dbraw/zinc/24/34/00/177243400.db2.gz FEPUTFXNVSBLID-GXSJLCMTSA-N 2 2 225.336 0.182 20 0 BCADLP C[C@H]1C[N@@H+](CC(=O)NCC2CC2)CC[C@H]1[NH3+] ZINC000251626331 177243401 /nfs/dbraw/zinc/24/34/01/177243401.db2.gz FEPUTFXNVSBLID-GXSJLCMTSA-N 2 2 225.336 0.182 20 0 BCADLP C[C@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)CC(C)(C)O1 ZINC000041681561 177257094 /nfs/dbraw/zinc/25/70/94/177257094.db2.gz JNBLWOULTCBLFA-QWRGUYRKSA-N 2 2 228.336 0.474 20 0 BCADLP C[C@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)CC(C)(C)O1 ZINC000041681561 177257096 /nfs/dbraw/zinc/25/70/96/177257096.db2.gz JNBLWOULTCBLFA-QWRGUYRKSA-N 2 2 228.336 0.474 20 0 BCADLP C[C@H]1C[N@H+](Cc2ccnn2C)CC[C@H]1[NH3+] ZINC000251684671 177267704 /nfs/dbraw/zinc/26/77/04/177267704.db2.gz HZEXWUFMKGSUIZ-GXSJLCMTSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@H]1C[N@@H+](Cc2ccnn2C)CC[C@H]1[NH3+] ZINC000251684671 177267706 /nfs/dbraw/zinc/26/77/06/177267706.db2.gz HZEXWUFMKGSUIZ-GXSJLCMTSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@H]1C[NH2+]CCN1C(=O)CCn1cc[nH+]c1 ZINC000054370197 177282588 /nfs/dbraw/zinc/28/25/88/177282588.db2.gz TWICMWUBKNAKRB-JTQLQIEISA-N 2 2 222.292 0.094 20 0 BCADLP C[C@H]1COCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000192128789 177296703 /nfs/dbraw/zinc/29/67/03/177296703.db2.gz KEWZOBVBEUPYSV-WDEREUQCSA-N 2 2 209.293 0.898 20 0 BCADLP C[C@H]1C[C@@H](CO)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000289146212 177325715 /nfs/dbraw/zinc/32/57/15/177325715.db2.gz ZANNTXXMKVZNCP-RYUDHWBXSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H]1C[C@@H](CO)CC[N@H+]1CCn1cc[nH+]c1 ZINC000289146212 177325716 /nfs/dbraw/zinc/32/57/16/177325716.db2.gz ZANNTXXMKVZNCP-RYUDHWBXSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000289834595 177396241 /nfs/dbraw/zinc/39/62/41/177396241.db2.gz JXVWRTWKASDCRA-RKDXNWHRSA-N 2 2 222.292 0.414 20 0 BCADLP Cc1n[nH]cc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400405069 225168982 /nfs/dbraw/zinc/16/89/82/225168982.db2.gz RBFJWDWSQCGXHF-MWLCHTKSSA-N 2 2 208.309 0.948 20 0 BCADLP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000226016924 487643569 /nfs/dbraw/zinc/64/35/69/487643569.db2.gz MMGHKXWGJLSOGM-NWDGAFQWSA-N 3 2 229.368 0.424 20 0 BCADLP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCC[N@H+]1C ZINC000226016924 487643572 /nfs/dbraw/zinc/64/35/72/487643572.db2.gz MMGHKXWGJLSOGM-NWDGAFQWSA-N 3 2 229.368 0.424 20 0 BCADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000226022163 487644833 /nfs/dbraw/zinc/64/48/33/487644833.db2.gz PUKRODVNGULJCU-MNOVXSKESA-N 2 2 225.336 0.339 20 0 BCADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000226022163 487644836 /nfs/dbraw/zinc/64/48/36/487644836.db2.gz PUKRODVNGULJCU-MNOVXSKESA-N 2 2 225.336 0.339 20 0 BCADLP CCOC1CC[NH+](C[C@H](O)C[N@H+](C)CC)CC1 ZINC000383608652 487647456 /nfs/dbraw/zinc/64/74/56/487647456.db2.gz SCECTYWRHSVTLG-GFCCVEGCSA-N 2 2 244.379 0.800 20 0 BCADLP CCOC1CC[NH+](C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000383608652 487647460 /nfs/dbraw/zinc/64/74/60/487647460.db2.gz SCECTYWRHSVTLG-GFCCVEGCSA-N 2 2 244.379 0.800 20 0 BCADLP C[NH+](C)[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492763250 226047932 /nfs/dbraw/zinc/04/79/32/226047932.db2.gz IYSSEHNMYQBDOU-BYCRGOAPSA-N 2 2 234.303 0.585 20 0 BCADLP O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000493148777 226139649 /nfs/dbraw/zinc/13/96/49/226139649.db2.gz GNVRSZGDRXNLNU-HMDXOVGESA-N 2 2 246.314 0.776 20 0 BCADLP O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000493148777 226139653 /nfs/dbraw/zinc/13/96/53/226139653.db2.gz GNVRSZGDRXNLNU-HMDXOVGESA-N 2 2 246.314 0.776 20 0 BCADLP C[NH+](C)C[C@H]1CCCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493545055 226241634 /nfs/dbraw/zinc/24/16/34/226241634.db2.gz CNQDZGHCZGXWAT-ISALQUGTSA-N 2 2 248.330 0.976 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)/C=C/C[NH+](C)C ZINC000493748248 226252231 /nfs/dbraw/zinc/25/22/31/226252231.db2.gz QJHYTGRFBMUEJL-SNAWJCMRSA-N 2 2 222.292 0.154 20 0 BCADLP Cn1ccnc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494447166 226265244 /nfs/dbraw/zinc/26/52/44/226265244.db2.gz YGIWMBOLXJNJIC-SNVBAGLBSA-N 2 2 231.303 0.721 20 0 BCADLP COCC(COC)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400457201 226344111 /nfs/dbraw/zinc/34/41/11/226344111.db2.gz QEXGSJQUBJGDKU-MWLCHTKSSA-N 2 2 216.325 0.378 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226029105 487653567 /nfs/dbraw/zinc/65/35/67/487653567.db2.gz SQXZKZXRZBTSMG-WDEREUQCSA-N 2 2 227.352 0.572 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226029105 487653570 /nfs/dbraw/zinc/65/35/70/487653570.db2.gz SQXZKZXRZBTSMG-WDEREUQCSA-N 2 2 227.352 0.572 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)CC)C1 ZINC000328142037 487657734 /nfs/dbraw/zinc/65/77/34/487657734.db2.gz BEPYYFPVBVGXNB-GHMZBOCLSA-N 2 2 200.326 0.831 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)CC)C1 ZINC000328142037 487657740 /nfs/dbraw/zinc/65/77/40/487657740.db2.gz BEPYYFPVBVGXNB-GHMZBOCLSA-N 2 2 200.326 0.831 20 0 BCADLP CC[N@H+](CCCO)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431089321 487665654 /nfs/dbraw/zinc/66/56/54/487665654.db2.gz ZCKSTRZLZBJCSQ-UHFFFAOYSA-N 2 2 242.323 0.468 20 0 BCADLP CC[N@@H+](CCCO)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431089321 487665658 /nfs/dbraw/zinc/66/56/58/487665658.db2.gz ZCKSTRZLZBJCSQ-UHFFFAOYSA-N 2 2 242.323 0.468 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000314865453 487669117 /nfs/dbraw/zinc/66/91/17/487669117.db2.gz JTZMVILYSVVTMD-NSHDSACASA-N 3 2 222.336 0.633 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000314865453 487669119 /nfs/dbraw/zinc/66/91/19/487669119.db2.gz JTZMVILYSVVTMD-NSHDSACASA-N 3 2 222.336 0.633 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000314866724 487669133 /nfs/dbraw/zinc/66/91/33/487669133.db2.gz JZLVEDUDOYSYQF-LBPRGKRZSA-N 3 2 236.363 0.894 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000314866724 487669137 /nfs/dbraw/zinc/66/91/37/487669137.db2.gz JZLVEDUDOYSYQF-LBPRGKRZSA-N 3 2 236.363 0.894 20 0 BCADLP CCn1cc[nH+]c1CNC[C@H](C)[NH+](C)C ZINC000051923980 487672130 /nfs/dbraw/zinc/67/21/30/487672130.db2.gz DVVLLQNKIONOTH-JTQLQIEISA-N 2 2 210.325 0.943 20 0 BCADLP C[C@@H]1CC[C@@H](C)N1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653103481 487678218 /nfs/dbraw/zinc/67/82/18/487678218.db2.gz IUTDUOZIZIDKHE-GMTAPVOTSA-N 2 2 227.352 0.665 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000393780548 487687245 /nfs/dbraw/zinc/68/72/45/487687245.db2.gz BKWMSEAUPKAVLJ-JQWIXIFHSA-N 3 2 211.353 0.785 20 0 BCADLP CC(C)([NH3+])C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000393780548 487687255 /nfs/dbraw/zinc/68/72/55/487687255.db2.gz BKWMSEAUPKAVLJ-JQWIXIFHSA-N 3 2 211.353 0.785 20 0 BCADLP Cn1nncc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000394877443 487694369 /nfs/dbraw/zinc/69/43/69/487694369.db2.gz PLKCBAVPAQVUPU-DGCLKSJQSA-N 2 2 249.362 0.779 20 0 BCADLP Cn1nncc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000394877443 487694375 /nfs/dbraw/zinc/69/43/75/487694375.db2.gz PLKCBAVPAQVUPU-DGCLKSJQSA-N 2 2 249.362 0.779 20 0 BCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)C[NH+](C)C ZINC000519020743 262769490 /nfs/dbraw/zinc/76/94/90/262769490.db2.gz RLNJSELSCAOKSO-JTQLQIEISA-N 2 2 213.325 0.101 20 0 BCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)C[NH+](C)C ZINC000519020743 262769491 /nfs/dbraw/zinc/76/94/91/262769491.db2.gz RLNJSELSCAOKSO-JTQLQIEISA-N 2 2 213.325 0.101 20 0 BCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC2(C)C)[C@H](C[NH3+])C1 ZINC000669403666 487709041 /nfs/dbraw/zinc/70/90/41/487709041.db2.gz YUWVEBPWCUKELA-NXEZZACHSA-N 2 2 240.351 0.069 20 0 BCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC2(C)C)[C@H](C[NH3+])C1 ZINC000669403666 487709048 /nfs/dbraw/zinc/70/90/48/487709048.db2.gz YUWVEBPWCUKELA-NXEZZACHSA-N 2 2 240.351 0.069 20 0 BCADLP Cn1c[nH+]c(CN2CC[NH+](CC3CC3)CC2)c1 ZINC000683898880 487710765 /nfs/dbraw/zinc/71/07/65/487710765.db2.gz PYJFPEVQADHEBS-UHFFFAOYSA-N 2 2 234.347 0.948 20 0 BCADLP Cc1nc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)nc(N)[nH+]1 ZINC000383608080 487719959 /nfs/dbraw/zinc/71/99/59/487719959.db2.gz RXMAUPQLDNKZRP-IONNQARKSA-N 2 2 236.323 0.657 20 0 BCADLP Cc1nc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)nc(N)[nH+]1 ZINC000383608080 487719960 /nfs/dbraw/zinc/71/99/60/487719960.db2.gz RXMAUPQLDNKZRP-IONNQARKSA-N 2 2 236.323 0.657 20 0 BCADLP Cc1nc(N)nc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)[nH+]1 ZINC000383608080 487719961 /nfs/dbraw/zinc/71/99/61/487719961.db2.gz RXMAUPQLDNKZRP-IONNQARKSA-N 2 2 236.323 0.657 20 0 BCADLP Cc1nc(N)nc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)[nH+]1 ZINC000383608080 487719962 /nfs/dbraw/zinc/71/99/62/487719962.db2.gz RXMAUPQLDNKZRP-IONNQARKSA-N 2 2 236.323 0.657 20 0 BCADLP CC[C@@]1(C(=O)NCc2c[nH+]c[nH]2)CCC[NH2+]1 ZINC000215342057 487723446 /nfs/dbraw/zinc/72/34/46/487723446.db2.gz DOIMTWABKLKUGF-NSHDSACASA-N 2 2 222.292 0.558 20 0 BCADLP CC[C@@]1(C(=O)NCc2c[nH]c[nH+]2)CCC[NH2+]1 ZINC000215342057 487723451 /nfs/dbraw/zinc/72/34/51/487723451.db2.gz DOIMTWABKLKUGF-NSHDSACASA-N 2 2 222.292 0.558 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000249932633 487725731 /nfs/dbraw/zinc/72/57/31/487725731.db2.gz FCCCBRFJQYBPNN-NWDGAFQWSA-N 2 2 241.379 0.914 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000249932633 487725735 /nfs/dbraw/zinc/72/57/35/487725735.db2.gz FCCCBRFJQYBPNN-NWDGAFQWSA-N 2 2 241.379 0.914 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H](CO)CCF ZINC000652018481 487730292 /nfs/dbraw/zinc/73/02/92/487730292.db2.gz USBUWNDAAIITPB-KXUCPTDWSA-N 2 2 204.289 0.247 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H](CO)CCF ZINC000652018481 487730295 /nfs/dbraw/zinc/73/02/95/487730295.db2.gz USBUWNDAAIITPB-KXUCPTDWSA-N 2 2 204.289 0.247 20 0 BCADLP CC(C)OCC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000250579664 487732636 /nfs/dbraw/zinc/73/26/36/487732636.db2.gz HNFJCOIELDEOPZ-WDEREUQCSA-N 2 2 216.325 0.459 20 0 BCADLP CC(C)OCC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000250579664 487732644 /nfs/dbraw/zinc/73/26/44/487732644.db2.gz HNFJCOIELDEOPZ-WDEREUQCSA-N 2 2 216.325 0.459 20 0 BCADLP C[N@H+](C[C@@H]1CCCO1)C[C@H]1C[NH2+]CCO1 ZINC000250490658 487732936 /nfs/dbraw/zinc/73/29/36/487732936.db2.gz XZLKAQQXDAOYEH-WDEREUQCSA-N 2 2 214.309 0.086 20 0 BCADLP C[N@@H+](C[C@@H]1CCCO1)C[C@H]1C[NH2+]CCO1 ZINC000250490658 487732941 /nfs/dbraw/zinc/73/29/41/487732941.db2.gz XZLKAQQXDAOYEH-WDEREUQCSA-N 2 2 214.309 0.086 20 0 BCADLP C[C@H](CNc1nc[nH+]c2c1OCCN2)[NH+](C)C ZINC000665695085 487733183 /nfs/dbraw/zinc/73/31/83/487733183.db2.gz PSCGJRAVYYPJLH-MRVPVSSYSA-N 2 2 237.307 0.643 20 0 BCADLP CCO[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000250567703 487733188 /nfs/dbraw/zinc/73/31/88/487733188.db2.gz VJYRSVBADVJKNG-VXGBXAGGSA-N 2 2 228.336 0.476 20 0 BCADLP CCO[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000250567703 487733189 /nfs/dbraw/zinc/73/31/89/487733189.db2.gz VJYRSVBADVJKNG-VXGBXAGGSA-N 2 2 228.336 0.476 20 0 BCADLP CCn1ncnc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000088588217 487735560 /nfs/dbraw/zinc/73/55/60/487735560.db2.gz KLFANQGNQJBREJ-UHFFFAOYSA-N 2 2 239.367 0.975 20 0 BCADLP Cc1ncc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])s1 ZINC000250840770 487742121 /nfs/dbraw/zinc/74/21/21/487742121.db2.gz SNRJHRRYQCCXPS-SNVBAGLBSA-N 2 2 240.376 0.526 20 0 BCADLP Cc1ncc(CN2CC[N@H+](C)C[C@H]2C[NH3+])s1 ZINC000250840770 487742124 /nfs/dbraw/zinc/74/21/24/487742124.db2.gz SNRJHRRYQCCXPS-SNVBAGLBSA-N 2 2 240.376 0.526 20 0 BCADLP CC(C)[C@H](C(=O)NCc1c[nH+]c[nH]1)[C@H](C)[NH3+] ZINC000399591460 487748968 /nfs/dbraw/zinc/74/89/68/487748968.db2.gz QSNUELARAFYYGA-WPRPVWTQSA-N 2 2 224.308 0.645 20 0 BCADLP CC(C)[C@H](C(=O)NCc1c[nH]c[nH+]1)[C@H](C)[NH3+] ZINC000399591460 487748973 /nfs/dbraw/zinc/74/89/73/487748973.db2.gz QSNUELARAFYYGA-WPRPVWTQSA-N 2 2 224.308 0.645 20 0 BCADLP CC(C)[C@H](C)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000251269301 487751760 /nfs/dbraw/zinc/75/17/60/487751760.db2.gz BJNOBEZSNBBHPC-WDEREUQCSA-N 2 2 200.326 0.951 20 0 BCADLP CC(C)[C@H](C)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000251269301 487751764 /nfs/dbraw/zinc/75/17/64/487751764.db2.gz BJNOBEZSNBBHPC-WDEREUQCSA-N 2 2 200.326 0.951 20 0 BCADLP Cc1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])nc1 ZINC000251261104 487752763 /nfs/dbraw/zinc/75/27/63/487752763.db2.gz XHRUSEYJRPHSHE-CYBMUJFWSA-N 2 2 234.347 0.465 20 0 BCADLP Cc1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])nc1 ZINC000251261104 487752768 /nfs/dbraw/zinc/75/27/68/487752768.db2.gz XHRUSEYJRPHSHE-CYBMUJFWSA-N 2 2 234.347 0.465 20 0 BCADLP CCC[C@H](C)CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000251319000 487753993 /nfs/dbraw/zinc/75/39/93/487753993.db2.gz LOGROIRGRBPNHZ-NWDGAFQWSA-N 2 2 213.369 0.997 20 0 BCADLP CCC[C@H](C)CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000251319000 487753996 /nfs/dbraw/zinc/75/39/96/487753996.db2.gz LOGROIRGRBPNHZ-NWDGAFQWSA-N 2 2 213.369 0.997 20 0 BCADLP CCC[C@H](C)C[N@@H+]1CCN(C)C[C@H]1C[NH3+] ZINC000251319000 487754000 /nfs/dbraw/zinc/75/40/00/487754000.db2.gz LOGROIRGRBPNHZ-NWDGAFQWSA-N 2 2 213.369 0.997 20 0 BCADLP CCC[C@H](C)C[N@H+]1CCN(C)C[C@H]1C[NH3+] ZINC000251319000 487754006 /nfs/dbraw/zinc/75/40/06/487754006.db2.gz LOGROIRGRBPNHZ-NWDGAFQWSA-N 2 2 213.369 0.997 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000675784749 487778620 /nfs/dbraw/zinc/77/86/20/487778620.db2.gz KXQOLNOQWAZWBU-WOPDTQHZSA-N 2 2 249.362 0.881 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000675784749 487778622 /nfs/dbraw/zinc/77/86/22/487778622.db2.gz KXQOLNOQWAZWBU-WOPDTQHZSA-N 2 2 249.362 0.881 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCOC1 ZINC000309219988 487780556 /nfs/dbraw/zinc/78/05/56/487780556.db2.gz GKRGUONRNCOCCT-VXGBXAGGSA-N 2 2 230.352 0.408 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCOC1 ZINC000309219988 487780563 /nfs/dbraw/zinc/78/05/63/487780563.db2.gz GKRGUONRNCOCCT-VXGBXAGGSA-N 2 2 230.352 0.408 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCOC1 ZINC000309219988 487780567 /nfs/dbraw/zinc/78/05/67/487780567.db2.gz GKRGUONRNCOCCT-VXGBXAGGSA-N 2 2 230.352 0.408 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCOC1 ZINC000309219988 487780574 /nfs/dbraw/zinc/78/05/74/487780574.db2.gz GKRGUONRNCOCCT-VXGBXAGGSA-N 2 2 230.352 0.408 20 0 BCADLP CC[C@H]1C[N@H+](CC(=O)NC(C)(C)C)CC[C@H]1[NH3+] ZINC000251780306 487796600 /nfs/dbraw/zinc/79/66/00/487796600.db2.gz MZZZNLJJMBLRGG-WDEREUQCSA-N 2 2 241.379 0.960 20 0 BCADLP CC[C@H]1C[N@@H+](CC(=O)NC(C)(C)C)CC[C@H]1[NH3+] ZINC000251780306 487796607 /nfs/dbraw/zinc/79/66/07/487796607.db2.gz MZZZNLJJMBLRGG-WDEREUQCSA-N 2 2 241.379 0.960 20 0 BCADLP CC[C@@H]1C[N@H+](CC(=O)NC(C)C)CC[C@H]1[NH3+] ZINC000251862928 487803758 /nfs/dbraw/zinc/80/37/58/487803758.db2.gz SZORBOFTGOGMEK-GHMZBOCLSA-N 2 2 227.352 0.570 20 0 BCADLP CC[C@@H]1C[N@@H+](CC(=O)NC(C)C)CC[C@H]1[NH3+] ZINC000251862928 487803765 /nfs/dbraw/zinc/80/37/65/487803765.db2.gz SZORBOFTGOGMEK-GHMZBOCLSA-N 2 2 227.352 0.570 20 0 BCADLP CC[C@H]1C[N@H+](CCCS(C)(=O)=O)CC[C@H]1[NH3+] ZINC000251931742 487808454 /nfs/dbraw/zinc/80/84/54/487808454.db2.gz ZIYKDLZWSUHVQQ-WDEREUQCSA-N 2 2 248.392 0.480 20 0 BCADLP CC[C@H]1C[N@@H+](CCCS(C)(=O)=O)CC[C@H]1[NH3+] ZINC000251931742 487808458 /nfs/dbraw/zinc/80/84/58/487808458.db2.gz ZIYKDLZWSUHVQQ-WDEREUQCSA-N 2 2 248.392 0.480 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C1([NH+](C)C)CC1 ZINC000666449245 487811525 /nfs/dbraw/zinc/81/15/25/487811525.db2.gz AJQXBGZEVULNBY-JTQLQIEISA-N 2 2 236.319 0.482 20 0 BCADLP [NH3+]CCC[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000414733591 487820392 /nfs/dbraw/zinc/82/03/92/487820392.db2.gz CSWFHTSKFINUSS-UHFFFAOYSA-N 2 2 249.362 0.758 20 0 BCADLP Cc1cc(NC(=O)N(C)CC2C[NH+](C)C2)cc[nH+]1 ZINC000666490274 487820983 /nfs/dbraw/zinc/82/09/83/487820983.db2.gz NZINZZOZSWIMIC-UHFFFAOYSA-N 2 2 248.330 0.837 20 0 BCADLP Cn1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)nn1 ZINC000671760114 487829602 /nfs/dbraw/zinc/82/96/02/487829602.db2.gz DXAZLPHWOMWLSP-AVGNSLFASA-N 2 2 249.362 0.778 20 0 BCADLP Cn1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)nn1 ZINC000671760114 487829605 /nfs/dbraw/zinc/82/96/05/487829605.db2.gz DXAZLPHWOMWLSP-AVGNSLFASA-N 2 2 249.362 0.778 20 0 BCADLP CC[N@@H+](C)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492901459 527794593 /nfs/dbraw/zinc/79/45/93/527794593.db2.gz PIOVQCSJMNDQKS-PLNGDYQASA-N 2 2 222.292 0.491 20 0 BCADLP COc1c(C)[nH+]cnc1N1CCC[C@H]([NH3+])C1 ZINC000212524032 487845922 /nfs/dbraw/zinc/84/59/22/487845922.db2.gz ISFGOOUGLLKVAM-VIFPVBQESA-N 2 2 222.292 0.721 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1CC[NH2+]C1 ZINC000089741631 487850406 /nfs/dbraw/zinc/85/04/06/487850406.db2.gz XMXKBAGBNCMSBC-WDEREUQCSA-N 2 2 236.319 0.387 20 0 BCADLP C[NH+](C)[C@@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000558643732 322952791 /nfs/dbraw/zinc/95/27/91/322952791.db2.gz RTOODMHTLRJJOS-NSHDSACASA-N 2 2 236.319 0.340 20 0 BCADLP C[N@H+]1C[C@H]2[C@@H](CCN2Cc2c[nH+]c3n2CCC3)C1 ZINC000668186516 487869084 /nfs/dbraw/zinc/86/90/84/487869084.db2.gz KWEIDMPLJANZMY-AAEUAGOBSA-N 2 2 246.358 0.965 20 0 BCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2c[nH+]c3n2CCC3)C1 ZINC000668186516 487869089 /nfs/dbraw/zinc/86/90/89/487869089.db2.gz KWEIDMPLJANZMY-AAEUAGOBSA-N 2 2 246.358 0.965 20 0 BCADLP CN(C)c1ncc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cn1 ZINC000666768231 487876048 /nfs/dbraw/zinc/87/60/48/487876048.db2.gz DKSSMNCWDBYPJP-LBPRGKRZSA-N 2 2 249.362 0.774 20 0 BCADLP c1nc2cnccn2c1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666769139 487876105 /nfs/dbraw/zinc/87/61/05/487876105.db2.gz UICAEANPGOTCLY-LLVKDONJSA-N 2 2 245.330 0.961 20 0 BCADLP Cc1nnsc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000307686824 487878846 /nfs/dbraw/zinc/87/88/46/487878846.db2.gz KJIVTRMBSPMBRM-QMMMGPOBSA-N 2 2 212.322 0.627 20 0 BCADLP Cc1nnsc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000307686824 487878851 /nfs/dbraw/zinc/87/88/51/487878851.db2.gz KJIVTRMBSPMBRM-QMMMGPOBSA-N 2 2 212.322 0.627 20 0 BCADLP Cc1[nH+]cc(CN2C[C@H]3CC[N@H+](C)[C@H]3C2)n1C ZINC000668217524 487879733 /nfs/dbraw/zinc/87/97/33/487879733.db2.gz JEGBVFMOSCQMDJ-YPMHNXCESA-N 2 2 234.347 0.864 20 0 BCADLP Cc1[nH+]cc(CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)n1C ZINC000668217524 487879737 /nfs/dbraw/zinc/87/97/37/487879737.db2.gz JEGBVFMOSCQMDJ-YPMHNXCESA-N 2 2 234.347 0.864 20 0 BCADLP CCOC[C@H](O)C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000676702317 487896439 /nfs/dbraw/zinc/89/64/39/487896439.db2.gz SNAPGLNVRJJTTH-CHWSQXEVSA-N 2 2 244.379 0.846 20 0 BCADLP CCOC[C@H](O)C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000676702317 487896443 /nfs/dbraw/zinc/89/64/43/487896443.db2.gz SNAPGLNVRJJTTH-CHWSQXEVSA-N 2 2 244.379 0.846 20 0 BCADLP C[N@H+](CC[C@@H]1CCOC1)CC1C[NH+](C)C1 ZINC000668539774 487904779 /nfs/dbraw/zinc/90/47/79/487904779.db2.gz LVCWVKOODCAARQ-LLVKDONJSA-N 2 2 212.337 0.906 20 0 BCADLP C[N@@H+](CC[C@@H]1CCOC1)CC1C[NH+](C)C1 ZINC000668539774 487904786 /nfs/dbraw/zinc/90/47/86/487904786.db2.gz LVCWVKOODCAARQ-LLVKDONJSA-N 2 2 212.337 0.906 20 0 BCADLP C=Cn1cc(C[N@H+](C)CC2C[NH+](C)C2)cn1 ZINC000668539860 487906714 /nfs/dbraw/zinc/90/67/14/487906714.db2.gz OLIXGGWIJHCUED-UHFFFAOYSA-N 2 2 220.320 0.977 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](C)(OC)C1 ZINC000383835126 487938803 /nfs/dbraw/zinc/93/88/03/487938803.db2.gz YJNGAYTTXHDAML-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](C)(OC)C1 ZINC000383835126 487938806 /nfs/dbraw/zinc/93/88/06/487938806.db2.gz YJNGAYTTXHDAML-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@](C)(OC)C1 ZINC000383835126 487938811 /nfs/dbraw/zinc/93/88/11/487938811.db2.gz YJNGAYTTXHDAML-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@](C)(OC)C1 ZINC000383835126 487938815 /nfs/dbraw/zinc/93/88/15/487938815.db2.gz YJNGAYTTXHDAML-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP C[NH+](C)CCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000220525944 487943443 /nfs/dbraw/zinc/94/34/43/487943443.db2.gz YBKFSEJBVXYZJH-SECBINFHSA-N 2 2 236.319 0.192 20 0 BCADLP C[NH+](C)CCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000220525944 487943446 /nfs/dbraw/zinc/94/34/46/487943446.db2.gz YBKFSEJBVXYZJH-SECBINFHSA-N 2 2 236.319 0.192 20 0 BCADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CCCC1 ZINC000653062875 487945988 /nfs/dbraw/zinc/94/59/88/487945988.db2.gz MPRGIDDQLYVYJF-NSHDSACASA-N 2 2 227.352 0.666 20 0 BCADLP CCC[C@@H](O)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000569379797 322965003 /nfs/dbraw/zinc/96/50/03/322965003.db2.gz RKKFTCMWDZOWSH-LLVKDONJSA-N 2 2 211.309 0.979 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000569458461 322966845 /nfs/dbraw/zinc/96/68/45/322966845.db2.gz LQYNWZKGKICNSM-GXFFZTMASA-N 2 2 248.330 0.378 20 0 BCADLP COC[C@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)C1CC1 ZINC000397247961 322976192 /nfs/dbraw/zinc/97/61/92/322976192.db2.gz BPQPJTZOVBDOKI-UHTWSYAYSA-N 2 2 242.363 0.768 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000565242131 323037279 /nfs/dbraw/zinc/03/72/79/323037279.db2.gz KKQZRMVVLNPKCJ-QMMMGPOBSA-N 2 2 224.308 0.343 20 0 BCADLP COC(=O)C1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000569723759 323038811 /nfs/dbraw/zinc/03/88/11/323038811.db2.gz MJQYAHIVGZRWSP-QMMMGPOBSA-N 2 2 200.282 0.219 20 0 BCADLP C[C@H]1C[N@H+](C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000569758270 323039888 /nfs/dbraw/zinc/03/98/88/323039888.db2.gz FWWQSAZXWJQFCI-JTQLQIEISA-N 2 2 236.319 0.125 20 0 BCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000569758270 323039889 /nfs/dbraw/zinc/03/98/89/323039889.db2.gz FWWQSAZXWJQFCI-JTQLQIEISA-N 2 2 236.319 0.125 20 0 BCADLP CN(C(=O)CCn1cc[nH+]c1)[C@H](C[NH3+])C1CC1 ZINC000159797219 323048197 /nfs/dbraw/zinc/04/81/97/323048197.db2.gz MQGRKQMZDWGGAP-LLVKDONJSA-N 2 2 236.319 0.469 20 0 BCADLP CSC[C@H](O)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000572751627 323052643 /nfs/dbraw/zinc/05/26/43/323052643.db2.gz OEUQRNLQWLUXTC-JLLWLGSASA-N 2 2 244.404 0.783 20 0 BCADLP CSC[C@H](O)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000572751627 323052644 /nfs/dbraw/zinc/05/26/44/323052644.db2.gz OEUQRNLQWLUXTC-JLLWLGSASA-N 2 2 244.404 0.783 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]1COC ZINC000570812619 323071154 /nfs/dbraw/zinc/07/11/54/323071154.db2.gz FKHRBDSDJHRTOK-GHMZBOCLSA-N 2 2 216.325 0.020 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]1COC ZINC000570812619 323071155 /nfs/dbraw/zinc/07/11/55/323071155.db2.gz FKHRBDSDJHRTOK-GHMZBOCLSA-N 2 2 216.325 0.020 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H]1COC ZINC000570812619 323071156 /nfs/dbraw/zinc/07/11/56/323071156.db2.gz FKHRBDSDJHRTOK-GHMZBOCLSA-N 2 2 216.325 0.020 20 0 BCADLP C[N@@H+]1CC[C@@H]([NH2+]CCC(N)=O)[C@@H]1c1ccccc1 ZINC000570920595 323074331 /nfs/dbraw/zinc/07/43/31/323074331.db2.gz QJFKPYWXMIAGJS-OCCSQVGLSA-N 2 2 247.342 0.897 20 0 BCADLP C[N@H+]1CC[C@@H]([NH2+]CCC(N)=O)[C@@H]1c1ccccc1 ZINC000570920595 323074332 /nfs/dbraw/zinc/07/43/32/323074332.db2.gz QJFKPYWXMIAGJS-OCCSQVGLSA-N 2 2 247.342 0.897 20 0 BCADLP CCn1cc[nH+]c1CN1CCO[C@H](C[NH3+])C1 ZINC000165486603 323077662 /nfs/dbraw/zinc/07/76/62/323077662.db2.gz RTVVMIKXQQIXAQ-SNVBAGLBSA-N 2 2 224.308 0.063 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCOC[C@@H]1CCCO1 ZINC000563154743 323095675 /nfs/dbraw/zinc/09/56/75/323095675.db2.gz VKIAIFGQQVCVQX-OLZOCXBDSA-N 2 2 242.363 0.866 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1CCOC[C@@H]1CCCO1 ZINC000563154743 323095676 /nfs/dbraw/zinc/09/56/76/323095676.db2.gz VKIAIFGQQVCVQX-OLZOCXBDSA-N 2 2 242.363 0.866 20 0 BCADLP C[NH2+]CCC(=O)NCCNc1cccc[nH+]1 ZINC000570958742 323101547 /nfs/dbraw/zinc/10/15/47/323101547.db2.gz NBRVOYVUXBPFJY-UHFFFAOYSA-N 2 2 222.292 0.219 20 0 BCADLP C[C@@H](C(=O)Nc1cc[nH+]cc1O)[C@H](C)[NH3+] ZINC000570959348 323101609 /nfs/dbraw/zinc/10/16/09/323101609.db2.gz CFLJEFLCJNUDTO-RQJHMYQMSA-N 2 2 209.249 0.131 20 0 BCADLP C[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)[C@H](C)[NH3+] ZINC000563207481 323101881 /nfs/dbraw/zinc/10/18/81/323101881.db2.gz OGCKWCZDFLJPQE-VHSXEESVSA-N 2 2 246.314 0.729 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000563207462 323101884 /nfs/dbraw/zinc/10/18/84/323101884.db2.gz OGCKWCZDFLJPQE-NXEZZACHSA-N 2 2 246.314 0.729 20 0 BCADLP C[C@@H](C(=O)NCCn1cc[nH+]c1)[NH+]1CC(C)C1 ZINC000570984608 323102671 /nfs/dbraw/zinc/10/26/71/323102671.db2.gz WVRWJAFVUJQCMI-NSHDSACASA-N 2 2 236.319 0.340 20 0 BCADLP COC[C@](C)(O)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000531711677 323112075 /nfs/dbraw/zinc/11/20/75/323112075.db2.gz XYHTVZIJRMALKR-RAIGVLPGSA-N 2 2 242.363 0.456 20 0 BCADLP COC[C@](C)(O)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000531711677 323112076 /nfs/dbraw/zinc/11/20/76/323112076.db2.gz XYHTVZIJRMALKR-RAIGVLPGSA-N 2 2 242.363 0.456 20 0 BCADLP C[C@H](CC(=O)N1CCC[NH2+]CC1)n1cc[nH+]c1 ZINC000563336384 323119008 /nfs/dbraw/zinc/11/90/08/323119008.db2.gz HDGULIKKCLUTKP-LLVKDONJSA-N 2 2 236.319 0.656 20 0 BCADLP C[C@@H](CC(=O)N(C)C1CC([NH3+])C1)n1cc[nH+]c1 ZINC000563338302 323119089 /nfs/dbraw/zinc/11/90/89/323119089.db2.gz HXBYUIBFHCWLAS-WHXUTIOJSA-N 2 2 236.319 0.782 20 0 BCADLP C[C@H](CC(=O)N1CCC[C@@H]([NH3+])C1)n1cc[nH+]c1 ZINC000563339629 323119323 /nfs/dbraw/zinc/11/93/23/323119323.db2.gz VOONGMJUPIJSOT-GHMZBOCLSA-N 2 2 236.319 0.784 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000563421700 323124050 /nfs/dbraw/zinc/12/40/50/323124050.db2.gz QDHOCOUERLUVHE-SILCLGDVSA-N 2 2 211.309 0.064 20 0 BCADLP C[C@@H](C(N)=O)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000563421700 323124051 /nfs/dbraw/zinc/12/40/51/323124051.db2.gz QDHOCOUERLUVHE-SILCLGDVSA-N 2 2 211.309 0.064 20 0 BCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H](C)O ZINC000571198720 323137961 /nfs/dbraw/zinc/13/79/61/323137961.db2.gz WJHFYIFCGJCIHJ-QJPTWQEYSA-N 2 2 230.352 0.456 20 0 BCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H](C)O ZINC000571198720 323137962 /nfs/dbraw/zinc/13/79/62/323137962.db2.gz WJHFYIFCGJCIHJ-QJPTWQEYSA-N 2 2 230.352 0.456 20 0 BCADLP CC[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000571651809 323150927 /nfs/dbraw/zinc/15/09/27/323150927.db2.gz YESYQIWWVOGGMY-JTQLQIEISA-N 2 2 224.308 0.560 20 0 BCADLP CC[C@H](C(=O)N1CC(n2cc[nH+]c2)C1)[NH+](C)C ZINC000531965405 323159907 /nfs/dbraw/zinc/15/99/07/323159907.db2.gz KBMPZBOBJZOOIT-LLVKDONJSA-N 2 2 236.319 0.607 20 0 BCADLP CC[C@@H](C(=O)N1CC(n2cc[nH+]c2)C1)[NH+](C)C ZINC000531965406 323159926 /nfs/dbraw/zinc/15/99/26/323159926.db2.gz KBMPZBOBJZOOIT-NSHDSACASA-N 2 2 236.319 0.607 20 0 BCADLP CN(CCn1cc[nH+]c1)Cc1nnc2n1CCC2 ZINC000535034816 323164237 /nfs/dbraw/zinc/16/42/37/323164237.db2.gz KJDKBFKYHUHIBT-UHFFFAOYSA-N 2 2 246.318 0.553 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)Cc1nnc2n1CCC2 ZINC000535034816 323164238 /nfs/dbraw/zinc/16/42/38/323164238.db2.gz KJDKBFKYHUHIBT-UHFFFAOYSA-N 2 2 246.318 0.553 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)Cc1nnc2n1CCC2 ZINC000535034816 323164239 /nfs/dbraw/zinc/16/42/39/323164239.db2.gz KJDKBFKYHUHIBT-UHFFFAOYSA-N 2 2 246.318 0.553 20 0 BCADLP Cn1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000112340857 323169220 /nfs/dbraw/zinc/16/92/20/323169220.db2.gz UIULJXGXXVOKGR-LLVKDONJSA-N 2 2 234.347 0.994 20 0 BCADLP Cn1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000112340857 323169221 /nfs/dbraw/zinc/16/92/21/323169221.db2.gz UIULJXGXXVOKGR-LLVKDONJSA-N 2 2 234.347 0.994 20 0 BCADLP Cc1c[nH+]cn1CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000529456457 323178287 /nfs/dbraw/zinc/17/82/87/323178287.db2.gz DIVCMWCKAPKAPX-UHFFFAOYSA-N 2 2 247.302 0.966 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCCC2)CC1 ZINC000043304404 323274950 /nfs/dbraw/zinc/27/49/50/323274950.db2.gz GCAGUBIVOAHIFA-GFCCVEGCSA-N 2 2 239.363 0.635 20 0 BCADLP Cn1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000309257962 323332412 /nfs/dbraw/zinc/33/24/12/323332412.db2.gz GZZANNPBDJACLM-ZYHUDNBSSA-N 2 2 220.320 0.604 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(CO)CC1 ZINC000309290545 323340554 /nfs/dbraw/zinc/34/05/54/323340554.db2.gz VQDQPYQHOSWDGM-LBPRGKRZSA-N 2 2 230.352 0.003 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CO)CC1 ZINC000309290545 323340557 /nfs/dbraw/zinc/34/05/57/323340557.db2.gz VQDQPYQHOSWDGM-LBPRGKRZSA-N 2 2 230.352 0.003 20 0 BCADLP Cc1cccn2cc(CCNC(=O)[C@H](C)[NH3+])[nH+]c12 ZINC000083887930 487958263 /nfs/dbraw/zinc/95/82/63/487958263.db2.gz KCPBGIXVNVTFNS-JTQLQIEISA-N 2 2 246.314 0.649 20 0 BCADLP Cn1nnc2cc(C[NH2+][C@H]3CC[NH2+]C3)ccc21 ZINC000571701281 323466773 /nfs/dbraw/zinc/46/67/73/323466773.db2.gz IOJWZOMYUBRFRP-JTQLQIEISA-N 2 2 231.303 0.420 20 0 BCADLP CCO[C@H]1C[C@@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000572135881 323549782 /nfs/dbraw/zinc/54/97/82/323549782.db2.gz ORNIQNQPXGWMCU-QWRGUYRKSA-N 2 2 209.293 0.996 20 0 BCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000529413709 324289987 /nfs/dbraw/zinc/28/99/87/324289987.db2.gz OSEWMZUDWSBMBR-SECBINFHSA-N 2 2 233.275 0.792 20 0 BCADLP CCn1nncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000530207634 324524524 /nfs/dbraw/zinc/52/45/24/324524524.db2.gz DFVVYATUMKAPEC-ZACCUICWSA-N 2 2 235.335 0.671 20 0 BCADLP CC[NH+](CC)CC(=O)NCCn1cc[nH+]c1 ZINC000068080706 324834955 /nfs/dbraw/zinc/83/49/55/324834955.db2.gz ZCRBNPHIZVSXJN-UHFFFAOYSA-N 2 2 224.308 0.341 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCNC2=O)CC[N@@H+]1C ZINC000130006493 325003478 /nfs/dbraw/zinc/00/34/78/325003478.db2.gz CZDIGMIIPNNGNR-GRYCIOLGSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCNC2=O)CC[N@H+]1C ZINC000130006493 325003480 /nfs/dbraw/zinc/00/34/80/325003480.db2.gz CZDIGMIIPNNGNR-GRYCIOLGSA-N 2 2 239.363 0.727 20 0 BCADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000130121254 325015683 /nfs/dbraw/zinc/01/56/83/325015683.db2.gz DADMSKUUCFPART-UHFFFAOYSA-N 2 2 225.336 0.245 20 0 BCADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000130121254 325015685 /nfs/dbraw/zinc/01/56/85/325015685.db2.gz DADMSKUUCFPART-UHFFFAOYSA-N 2 2 225.336 0.245 20 0 BCADLP Cc1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)nc1 ZINC000131449775 325152497 /nfs/dbraw/zinc/15/24/97/325152497.db2.gz PSYSOSRGKDHDHQ-ZDUSSCGKSA-N 2 2 237.347 0.792 20 0 BCADLP C[C@@H](C[NH+](C)C)NC(=O)Cc1c[nH+]cn1C ZINC000553792023 325699519 /nfs/dbraw/zinc/69/95/19/325699519.db2.gz WRJUGDXINPMLJQ-VIFPVBQESA-N 2 2 224.308 0.029 20 0 BCADLP CCOC[C@H](C)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000252953590 325701335 /nfs/dbraw/zinc/70/13/35/325701335.db2.gz GVIYNMUVACIDAX-WOPDTQHZSA-N 2 2 230.352 0.768 20 0 BCADLP CNC(=O)C(C)(C)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000564583564 325797629 /nfs/dbraw/zinc/79/76/29/325797629.db2.gz DJRHJNXXGXPGAU-UHFFFAOYSA-N 2 2 238.335 0.590 20 0 BCADLP COc1ccnc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)n1 ZINC000564840992 325814913 /nfs/dbraw/zinc/81/49/13/325814913.db2.gz LIFGDPGIOCRPIQ-VHSXEESVSA-N 2 2 236.319 0.573 20 0 BCADLP C[NH+](C)CC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000564949530 325832342 /nfs/dbraw/zinc/83/23/42/325832342.db2.gz YTRBJSHISBYSLV-LBPRGKRZSA-N 2 2 248.330 0.116 20 0 BCADLP [NH3+][C@@H]1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000565247308 325886421 /nfs/dbraw/zinc/88/64/21/325886421.db2.gz YWRAJZAVHSGEQI-SECBINFHSA-N 2 2 245.286 0.899 20 0 BCADLP O=C(Cn1cc[nH+]c1)NCCCn1cc[nH+]c1 ZINC000565573002 325928676 /nfs/dbraw/zinc/92/86/76/325928676.db2.gz OLCCNHTUPUNVFD-UHFFFAOYSA-N 2 2 233.275 0.286 20 0 BCADLP Cc1cn2c([nH+]1)CN(CC(C)(C)[NH3+])CC2 ZINC000309578034 487971156 /nfs/dbraw/zinc/97/11/56/487971156.db2.gz RCDZDHBHDOHEKA-UHFFFAOYSA-N 2 2 208.309 0.744 20 0 BCADLP NC(=O)CC[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000566108743 325996314 /nfs/dbraw/zinc/99/63/14/325996314.db2.gz ZNWSBOYVTRHTTK-UHFFFAOYSA-N 2 2 232.287 0.342 20 0 BCADLP CC[C@H]1C[N@H+](C)CCN1CCc1c[nH+]cn1C ZINC000566138949 326002001 /nfs/dbraw/zinc/00/20/01/326002001.db2.gz UTAFHOOQLICTCA-LBPRGKRZSA-N 2 2 236.363 0.989 20 0 BCADLP CC[C@H]1C[N@@H+](C)CCN1CCc1c[nH+]cn1C ZINC000566138949 326002003 /nfs/dbraw/zinc/00/20/03/326002003.db2.gz UTAFHOOQLICTCA-LBPRGKRZSA-N 2 2 236.363 0.989 20 0 BCADLP O=C(Nc1cc[nH+]cc1O)C1CC[NH2+]CC1 ZINC000566179132 326007106 /nfs/dbraw/zinc/00/71/06/326007106.db2.gz FAZLQUWDVZSXQV-UHFFFAOYSA-N 2 2 221.260 0.147 20 0 BCADLP [NH3+]CC[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000566244824 326022914 /nfs/dbraw/zinc/02/29/14/326022914.db2.gz BOIZROOISWGMDZ-NSHDSACASA-N 2 2 245.330 0.867 20 0 BCADLP [NH3+]CC[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000566244824 326022916 /nfs/dbraw/zinc/02/29/16/326022916.db2.gz BOIZROOISWGMDZ-NSHDSACASA-N 2 2 245.330 0.867 20 0 BCADLP C[C@@H]1C[N@H+](CCN2CC[C@@H]([NH3+])C[C@@H]2C)CCO1 ZINC000566412295 326041510 /nfs/dbraw/zinc/04/15/10/326041510.db2.gz DWSPMIBWYDANHM-YNEHKIRRSA-N 2 2 241.379 0.519 20 0 BCADLP C[C@@H]1C[N@@H+](CCN2CC[C@@H]([NH3+])C[C@@H]2C)CCO1 ZINC000566412295 326041511 /nfs/dbraw/zinc/04/15/11/326041511.db2.gz DWSPMIBWYDANHM-YNEHKIRRSA-N 2 2 241.379 0.519 20 0 BCADLP C[NH2+][C@@H](C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000566471512 326053059 /nfs/dbraw/zinc/05/30/59/326053059.db2.gz WMWKMEHQXXIXQD-VIFPVBQESA-N 2 2 232.287 0.558 20 0 BCADLP CCC[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000566685843 326074053 /nfs/dbraw/zinc/07/40/53/326074053.db2.gz MAAZYOYFANXJKY-LLVKDONJSA-N 2 2 238.335 0.950 20 0 BCADLP Cc1c[nH+]c(C)nc1N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000566926372 326095139 /nfs/dbraw/zinc/09/51/39/326095139.db2.gz MFNFZIQYZLLXKH-QWRGUYRKSA-N 2 2 236.319 0.205 20 0 BCADLP CN(CC[NH3+])C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000567612500 326228878 /nfs/dbraw/zinc/22/88/78/326228878.db2.gz RIMVXANSEAFICW-UHFFFAOYSA-N 2 2 245.286 0.298 20 0 BCADLP CCN(C)C(=O)CC[N@H+](C)[C@H](C)C[NH3+] ZINC000567736087 326253300 /nfs/dbraw/zinc/25/33/00/326253300.db2.gz HBLZKBNTWPZJHL-SECBINFHSA-N 2 2 201.314 0.134 20 0 BCADLP CCN(C)C(=O)CC[N@@H+](C)[C@H](C)C[NH3+] ZINC000567736087 326253302 /nfs/dbraw/zinc/25/33/02/326253302.db2.gz HBLZKBNTWPZJHL-SECBINFHSA-N 2 2 201.314 0.134 20 0 BCADLP COC(=O)C[N@H+](C)CCCc1c[nH+]cn1C ZINC000314110508 326291178 /nfs/dbraw/zinc/29/11/78/326291178.db2.gz NGXHAPHVKDWTEL-UHFFFAOYSA-N 2 2 225.292 0.458 20 0 BCADLP COC(=O)C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000314110508 326291181 /nfs/dbraw/zinc/29/11/81/326291181.db2.gz NGXHAPHVKDWTEL-UHFFFAOYSA-N 2 2 225.292 0.458 20 0 BCADLP CC[C@@H]([NH3+])CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000568151582 326313726 /nfs/dbraw/zinc/31/37/26/326313726.db2.gz FUECMOYPWWZXJK-VHSXEESVSA-N 2 2 224.308 0.688 20 0 BCADLP C[C@H](CC(=O)N1CC[NH2+][C@@H](C)C1)n1cc[nH+]c1 ZINC000568153069 326314342 /nfs/dbraw/zinc/31/43/42/326314342.db2.gz VIOOVAZRJBNAQR-WDEREUQCSA-N 2 2 236.319 0.655 20 0 BCADLP O=C(C[NH2+]C1CC1)NCc1cn2ccccc2[nH+]1 ZINC000568260503 326336809 /nfs/dbraw/zinc/33/68/09/326336809.db2.gz ZCPDVJDHDCCOEV-UHFFFAOYSA-N 2 2 244.298 0.703 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000568527295 326362928 /nfs/dbraw/zinc/36/29/28/326362928.db2.gz OVTJMZOTEWWXQF-DCAQKATOSA-N 2 2 200.326 0.639 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)[C@@H]1C ZINC000568527295 326362931 /nfs/dbraw/zinc/36/29/31/326362931.db2.gz OVTJMZOTEWWXQF-DCAQKATOSA-N 2 2 200.326 0.639 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@@H]1C ZINC000568527295 326362924 /nfs/dbraw/zinc/36/29/24/326362924.db2.gz OVTJMZOTEWWXQF-DCAQKATOSA-N 2 2 200.326 0.639 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@@H]1C ZINC000568527295 326362927 /nfs/dbraw/zinc/36/29/27/326362927.db2.gz OVTJMZOTEWWXQF-DCAQKATOSA-N 2 2 200.326 0.639 20 0 BCADLP O[C@@H]1COC[C@@H]1[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000568722707 326373536 /nfs/dbraw/zinc/37/35/36/326373536.db2.gz VDYSOEUMHSLVSZ-GARJFASQSA-N 2 2 237.303 0.349 20 0 BCADLP O[C@@H]1COC[C@@H]1[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000568722707 326373537 /nfs/dbraw/zinc/37/35/37/326373537.db2.gz VDYSOEUMHSLVSZ-GARJFASQSA-N 2 2 237.303 0.349 20 0 BCADLP O[C@@H]1COC[C@H]1[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000568722709 326373738 /nfs/dbraw/zinc/37/37/38/326373738.db2.gz VDYSOEUMHSLVSZ-HBNTYKKESA-N 2 2 237.303 0.349 20 0 BCADLP O[C@@H]1COC[C@H]1[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000568722709 326373740 /nfs/dbraw/zinc/37/37/40/326373740.db2.gz VDYSOEUMHSLVSZ-HBNTYKKESA-N 2 2 237.303 0.349 20 0 BCADLP CSC[C@@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000568857874 326379675 /nfs/dbraw/zinc/37/96/75/326379675.db2.gz SSEHUTCIHRERGW-VIFPVBQESA-N 2 2 215.322 0.197 20 0 BCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000568998960 326385999 /nfs/dbraw/zinc/38/59/99/326385999.db2.gz KCIBWHPRWLBECX-VIFPVBQESA-N 2 2 249.305 0.571 20 0 BCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000568998960 326386001 /nfs/dbraw/zinc/38/60/01/326386001.db2.gz KCIBWHPRWLBECX-VIFPVBQESA-N 2 2 249.305 0.571 20 0 BCADLP CCn1cc(C[N@H+](C)C[C@](C)(O)C[NH2+]C)cn1 ZINC000569009856 326386602 /nfs/dbraw/zinc/38/66/02/326386602.db2.gz HDVCUKASKHCVIT-GFCCVEGCSA-N 2 2 240.351 0.305 20 0 BCADLP CCn1cc(C[N@@H+](C)C[C@](C)(O)C[NH2+]C)cn1 ZINC000569009856 326386603 /nfs/dbraw/zinc/38/66/03/326386603.db2.gz HDVCUKASKHCVIT-GFCCVEGCSA-N 2 2 240.351 0.305 20 0 BCADLP CC(C)n1ncnc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000083980463 487979779 /nfs/dbraw/zinc/97/97/79/487979779.db2.gz CKZRQUNGZTXRRH-JTQLQIEISA-N 2 2 223.324 0.640 20 0 BCADLP CC(C)n1ncnc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000083980463 487979773 /nfs/dbraw/zinc/97/97/73/487979773.db2.gz CKZRQUNGZTXRRH-JTQLQIEISA-N 2 2 223.324 0.640 20 0 BCADLP O[C@H]1C[N@H+](CCCn2cc[nH+]c2)CC(F)(F)C1 ZINC000682545936 487984739 /nfs/dbraw/zinc/98/47/39/487984739.db2.gz GUCBMIIDHCODAR-SNVBAGLBSA-N 2 2 245.273 0.975 20 0 BCADLP O[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CC(F)(F)C1 ZINC000682545936 487984742 /nfs/dbraw/zinc/98/47/42/487984742.db2.gz GUCBMIIDHCODAR-SNVBAGLBSA-N 2 2 245.273 0.975 20 0 BCADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CCC[NH3+] ZINC000123349413 487994090 /nfs/dbraw/zinc/99/40/90/487994090.db2.gz IDTYZWSXERUDPO-NEPJUHHUSA-N 2 2 241.379 0.962 20 0 BCADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000123349413 487994093 /nfs/dbraw/zinc/99/40/93/487994093.db2.gz IDTYZWSXERUDPO-NEPJUHHUSA-N 2 2 241.379 0.962 20 0 BCADLP CC[C@@H]1CC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000672602839 487997361 /nfs/dbraw/zinc/99/73/61/487997361.db2.gz AELCEJLSFRMTQQ-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP NC(=O)[C@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667462933 488015023 /nfs/dbraw/zinc/01/50/23/488015023.db2.gz ZPNRPKHKVKKEKW-JTQLQIEISA-N 2 2 248.330 0.527 20 0 BCADLP NC(=O)[C@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667462933 488015025 /nfs/dbraw/zinc/01/50/25/488015025.db2.gz ZPNRPKHKVKKEKW-JTQLQIEISA-N 2 2 248.330 0.527 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000147445740 488024414 /nfs/dbraw/zinc/02/44/14/488024414.db2.gz IJPKQJFANOKOGC-VXGBXAGGSA-N 2 2 241.379 0.962 20 0 BCADLP CCCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000147445740 488024419 /nfs/dbraw/zinc/02/44/19/488024419.db2.gz IJPKQJFANOKOGC-VXGBXAGGSA-N 2 2 241.379 0.962 20 0 BCADLP O=C(NCCc1[nH]cc[nH+]1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655448169 488036634 /nfs/dbraw/zinc/03/66/34/488036634.db2.gz UBOSSTOPYANTAG-MFKMUULPSA-N 2 2 248.330 0.458 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCCOC1 ZINC000401676069 488046610 /nfs/dbraw/zinc/04/66/10/488046610.db2.gz SSRZYIQHWDBMCO-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCCOC1 ZINC000401676069 488046615 /nfs/dbraw/zinc/04/66/15/488046615.db2.gz SSRZYIQHWDBMCO-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCCOC1 ZINC000401676069 488046622 /nfs/dbraw/zinc/04/66/22/488046622.db2.gz SSRZYIQHWDBMCO-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCCOC1 ZINC000401676069 488046628 /nfs/dbraw/zinc/04/66/28/488046628.db2.gz SSRZYIQHWDBMCO-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCCO1 ZINC000166088879 488054219 /nfs/dbraw/zinc/05/42/19/488054219.db2.gz WBNMYBCBMQGFOT-TUAOUCFPSA-N 2 2 228.336 0.522 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](CCC[NH3+])COC)C1 ZINC000389307817 488087907 /nfs/dbraw/zinc/08/79/07/488087907.db2.gz FNHZRBSBOPGYRN-STQMWFEESA-N 3 2 243.395 0.814 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](CCC[NH3+])COC)C1 ZINC000389307817 488087912 /nfs/dbraw/zinc/08/79/12/488087912.db2.gz FNHZRBSBOPGYRN-STQMWFEESA-N 3 2 243.395 0.814 20 0 BCADLP Cc1cc(NC(=O)c2cn(CC[NH3+])nn2)cc[nH+]1 ZINC000092349868 488090774 /nfs/dbraw/zinc/09/07/74/488090774.db2.gz GKCMGYXLUSBTHT-UHFFFAOYSA-N 2 2 246.274 0.193 20 0 BCADLP Cc1ncc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)n1C ZINC000667712351 488097357 /nfs/dbraw/zinc/09/73/57/488097357.db2.gz DBGSRTUPBBUJOB-GHMZBOCLSA-N 2 2 220.320 0.380 20 0 BCADLP c1[nH+]c2n(c1CN1C[C@@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000667712458 488097434 /nfs/dbraw/zinc/09/74/34/488097434.db2.gz GRMUYEOKTOMAPK-QWRGUYRKSA-N 2 2 232.331 0.481 20 0 BCADLP c1nc2n(c1C[NH+]1C[C@@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000667712458 488097437 /nfs/dbraw/zinc/09/74/37/488097437.db2.gz GRMUYEOKTOMAPK-QWRGUYRKSA-N 2 2 232.331 0.481 20 0 BCADLP c1[nH+]c2n(c1CN1C[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000667712457 488097595 /nfs/dbraw/zinc/09/75/95/488097595.db2.gz GRMUYEOKTOMAPK-PHIMTYICSA-N 2 2 232.331 0.481 20 0 BCADLP c1nc2n(c1C[N@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000667712457 488097599 /nfs/dbraw/zinc/09/75/99/488097599.db2.gz GRMUYEOKTOMAPK-PHIMTYICSA-N 2 2 232.331 0.481 20 0 BCADLP c1nc2n(c1C[N@@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000667712457 488097606 /nfs/dbraw/zinc/09/76/06/488097606.db2.gz GRMUYEOKTOMAPK-PHIMTYICSA-N 2 2 232.331 0.481 20 0 BCADLP CC[C@H]1C[N@H+](Cc2c[nH+]c(C)n2C)C[C@@H]1O ZINC000667710934 488097801 /nfs/dbraw/zinc/09/78/01/488097801.db2.gz SHWIBHRAWCXTRI-JQWIXIFHSA-N 2 2 223.320 0.931 20 0 BCADLP CC[C@H]1C[N@@H+](Cc2c[nH+]c(C)n2C)C[C@@H]1O ZINC000667710934 488097809 /nfs/dbraw/zinc/09/78/09/488097809.db2.gz SHWIBHRAWCXTRI-JQWIXIFHSA-N 2 2 223.320 0.931 20 0 BCADLP c1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)n(CC2CC2)n1 ZINC000667712776 488098486 /nfs/dbraw/zinc/09/84/86/488098486.db2.gz PHXLMVIQXYPDIK-CHWSQXEVSA-N 2 2 246.358 0.944 20 0 BCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000092954801 488104817 /nfs/dbraw/zinc/10/48/17/488104817.db2.gz GWWBHKLCRNGUCT-ZJUUUORDSA-N 2 2 236.319 0.377 20 0 BCADLP Cn1ncnc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000674249723 487537107 /nfs/dbraw/zinc/53/71/07/487537107.db2.gz HKQUAUMZJLMONL-UHFFFAOYSA-N 2 2 237.351 0.589 20 0 BCADLP Cn1ncnc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000674249723 487537112 /nfs/dbraw/zinc/53/71/12/487537112.db2.gz HKQUAUMZJLMONL-UHFFFAOYSA-N 2 2 237.351 0.589 20 0 BCADLP CCCn1nccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000160245239 488118170 /nfs/dbraw/zinc/11/81/70/488118170.db2.gz APSPKPDJKPSFEP-VXGBXAGGSA-N 2 2 234.347 0.944 20 0 BCADLP CC[C@@H](C)CN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653089055 487538967 /nfs/dbraw/zinc/53/89/67/487538967.db2.gz WMFMGJUKKSSMRC-MNOVXSKESA-N 2 2 229.368 0.770 20 0 BCADLP [NH3+]Cc1ccc(C(=O)NCCCn2cc[nH+]c2)o1 ZINC000094565016 487541830 /nfs/dbraw/zinc/54/18/30/487541830.db2.gz XMUIDLZAXWTUOI-UHFFFAOYSA-N 2 2 248.286 0.755 20 0 BCADLP CNC(=O)[C@H]1CC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000668243523 487543646 /nfs/dbraw/zinc/54/36/46/487543646.db2.gz BJHLPDNJFSSZIZ-JTQLQIEISA-N 2 2 236.319 0.296 20 0 BCADLP CNC(=O)[C@H]1CC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000668243523 487543650 /nfs/dbraw/zinc/54/36/50/487543650.db2.gz BJHLPDNJFSSZIZ-JTQLQIEISA-N 2 2 236.319 0.296 20 0 BCADLP CN(C)c1cc[nH+]c(NC(=O)Cn2cc[nH+]c2)c1 ZINC000680258023 487554840 /nfs/dbraw/zinc/55/48/40/487554840.db2.gz GJCMZIYICFALSU-UHFFFAOYSA-N 2 2 245.286 0.983 20 0 BCADLP CC(C)[NH+]1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674244360 487533267 /nfs/dbraw/zinc/53/32/67/487533267.db2.gz DQQLIJNRJCMPDI-NSHDSACASA-N 2 2 227.352 0.489 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000681605157 487474595 /nfs/dbraw/zinc/47/45/95/487474595.db2.gz SYKHBYWJUKFTMQ-LBPRGKRZSA-N 2 2 246.318 0.730 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](n2cncn2)C1 ZINC000681605157 487474597 /nfs/dbraw/zinc/47/45/97/487474597.db2.gz SYKHBYWJUKFTMQ-LBPRGKRZSA-N 2 2 246.318 0.730 20 0 BCADLP CCc1nn(C)cc1C[NH+]1CCC([NH3+])CC1 ZINC000167900162 487475291 /nfs/dbraw/zinc/47/52/91/487475291.db2.gz PJAJUYYPSIIURJ-UHFFFAOYSA-N 2 2 222.336 0.906 20 0 BCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000673916054 487478113 /nfs/dbraw/zinc/47/81/13/487478113.db2.gz TVLCFUHTDLTYSA-SNVBAGLBSA-N 2 2 222.292 0.510 20 0 BCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000673916054 487478114 /nfs/dbraw/zinc/47/81/14/487478114.db2.gz TVLCFUHTDLTYSA-SNVBAGLBSA-N 2 2 222.292 0.510 20 0 BCADLP C[NH2+]C[C@@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000086069714 487478570 /nfs/dbraw/zinc/47/85/70/487478570.db2.gz MHLATLCEMRPXMJ-MRVPVSSYSA-N 2 2 210.281 0.224 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000019518556 487484767 /nfs/dbraw/zinc/48/47/67/487484767.db2.gz RTXIEULUKOEMNA-LLVKDONJSA-N 2 2 227.352 0.524 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+]Cc1c(C)nn(C)c1C ZINC000162126275 487489024 /nfs/dbraw/zinc/48/90/24/487489024.db2.gz XDRHNCIBOICTQX-MRVPVSSYSA-N 2 2 210.325 0.734 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@](O)(CO)C2)n1C ZINC000668234698 487509745 /nfs/dbraw/zinc/50/97/45/487509745.db2.gz QXGHOOIWNWGRKK-GFCCVEGCSA-N 2 2 239.319 0.048 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CCC[C@](O)(CO)C2)n1C ZINC000668234698 487509747 /nfs/dbraw/zinc/50/97/47/487509747.db2.gz QXGHOOIWNWGRKK-GFCCVEGCSA-N 2 2 239.319 0.048 20 0 BCADLP COc1cc[nH+]c(CN(C)C2C[NH2+]C2)c1OC ZINC000232198003 487521521 /nfs/dbraw/zinc/52/15/21/487521521.db2.gz MSWRNHLFDULMHP-UHFFFAOYSA-N 2 2 237.303 0.502 20 0 BCADLP COC1CC[NH+](CC[NH2+]CC2(C)COC2)CC1 ZINC000671716556 487704637 /nfs/dbraw/zinc/70/46/37/487704637.db2.gz NZINZJXAZZUXMJ-UHFFFAOYSA-N 2 2 242.363 0.723 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)CC[NH2+]1 ZINC000663499578 488047842 /nfs/dbraw/zinc/04/78/42/488047842.db2.gz DFSCQTFGDACJSK-ZYGVAYEYSA-N 3 2 209.337 0.469 20 0 BCADLP CCn1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)nn1 ZINC000404429508 488160156 /nfs/dbraw/zinc/16/01/56/488160156.db2.gz LEYTUWCAKAYIHM-VHSXEESVSA-N 2 2 223.324 0.658 20 0 BCADLP CC[N@H+](CCn1cc[nH+]c1)CC(=O)N(C)C ZINC000677981092 488167552 /nfs/dbraw/zinc/16/75/52/488167552.db2.gz UIVONUFCECKIPT-UHFFFAOYSA-N 2 2 224.308 0.293 20 0 BCADLP CC[N@@H+](CCn1cc[nH+]c1)CC(=O)N(C)C ZINC000677981092 488167556 /nfs/dbraw/zinc/16/75/56/488167556.db2.gz UIVONUFCECKIPT-UHFFFAOYSA-N 2 2 224.308 0.293 20 0 BCADLP CCO[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000380055810 488169323 /nfs/dbraw/zinc/16/93/23/488169323.db2.gz WRXSEMCSTMOHDJ-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP CCO[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000380055810 488169327 /nfs/dbraw/zinc/16/93/27/488169327.db2.gz WRXSEMCSTMOHDJ-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP CCO[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000380055810 488169333 /nfs/dbraw/zinc/16/93/33/488169333.db2.gz WRXSEMCSTMOHDJ-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP CCO[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000380055810 488169335 /nfs/dbraw/zinc/16/93/35/488169335.db2.gz WRXSEMCSTMOHDJ-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP CCO[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000380055812 488169594 /nfs/dbraw/zinc/16/95/94/488169594.db2.gz WRXSEMCSTMOHDJ-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP CCO[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000380055812 488169588 /nfs/dbraw/zinc/16/95/88/488169588.db2.gz WRXSEMCSTMOHDJ-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP Cc1ncccc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000380049783 488170362 /nfs/dbraw/zinc/17/03/62/488170362.db2.gz WPNXIRSVVKFQSS-NSHDSACASA-N 2 2 209.293 0.141 20 0 BCADLP Cc1ncccc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000380049783 488170365 /nfs/dbraw/zinc/17/03/65/488170365.db2.gz WPNXIRSVVKFQSS-NSHDSACASA-N 2 2 209.293 0.141 20 0 BCADLP CC(C)O[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000404627953 488172242 /nfs/dbraw/zinc/17/22/42/488172242.db2.gz FBXIQYLHFWPFGI-STQMWFEESA-N 2 2 242.363 0.864 20 0 BCADLP CC(C)O[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000404627953 488172245 /nfs/dbraw/zinc/17/22/45/488172245.db2.gz FBXIQYLHFWPFGI-STQMWFEESA-N 2 2 242.363 0.864 20 0 BCADLP CO[C@H](C)C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000299893509 488193455 /nfs/dbraw/zinc/19/34/55/488193455.db2.gz LYTFZAUGFMREEX-AXFHLTTASA-N 2 2 216.325 0.378 20 0 BCADLP C[C@H]1C[C@H](O)C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668045273 488194362 /nfs/dbraw/zinc/19/43/62/488194362.db2.gz MMNQYZOGBUUBKY-ONGXEEELSA-N 2 2 221.304 0.784 20 0 BCADLP C[C@H]1C[C@H](O)C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668045273 488194364 /nfs/dbraw/zinc/19/43/64/488194364.db2.gz MMNQYZOGBUUBKY-ONGXEEELSA-N 2 2 221.304 0.784 20 0 BCADLP CO[C@@H]1C[N@H+](Cc2c[nH+]c(C)n2C)C[C@@H]1OC ZINC000668057147 488196634 /nfs/dbraw/zinc/19/66/34/488196634.db2.gz FFGOPZPSGNSNMO-TXEJJXNPSA-N 2 2 239.319 0.574 20 0 BCADLP CO[C@@H]1C[N@@H+](Cc2c[nH+]c(C)n2C)C[C@@H]1OC ZINC000668057147 488196637 /nfs/dbraw/zinc/19/66/37/488196637.db2.gz FFGOPZPSGNSNMO-TXEJJXNPSA-N 2 2 239.319 0.574 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)n1C ZINC000668089130 488200518 /nfs/dbraw/zinc/20/05/18/488200518.db2.gz OODOJXXYWXMCPD-LLVKDONJSA-N 2 2 223.320 0.931 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](O)C(C)(C)C2)n1C ZINC000668089130 488200521 /nfs/dbraw/zinc/20/05/21/488200521.db2.gz OODOJXXYWXMCPD-LLVKDONJSA-N 2 2 223.320 0.931 20 0 BCADLP CCO[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000043802910 488210100 /nfs/dbraw/zinc/21/01/00/488210100.db2.gz VJYRSVBADVJKNG-RYUDHWBXSA-N 2 2 228.336 0.476 20 0 BCADLP COC[C@H]1CC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000668192946 488220107 /nfs/dbraw/zinc/22/01/07/488220107.db2.gz QMEYVGUYQHRSDE-SNVBAGLBSA-N 2 2 209.293 0.949 20 0 BCADLP COC[C@H]1CC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000668192946 488220115 /nfs/dbraw/zinc/22/01/15/488220115.db2.gz QMEYVGUYQHRSDE-SNVBAGLBSA-N 2 2 209.293 0.949 20 0 BCADLP C[N@@H+]1CCC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000672770097 488265744 /nfs/dbraw/zinc/26/57/44/488265744.db2.gz VRENZBJXNJBLCZ-JTQLQIEISA-N 2 2 236.319 0.553 20 0 BCADLP C[N@H+]1CCC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000672770097 488265746 /nfs/dbraw/zinc/26/57/46/488265746.db2.gz VRENZBJXNJBLCZ-JTQLQIEISA-N 2 2 236.319 0.553 20 0 BCADLP OCC[NH+]1CCN(c2cc[nH+]cc2F)CC1 ZINC000678788045 488283176 /nfs/dbraw/zinc/28/31/76/488283176.db2.gz CQOVOJCJSIKRJS-UHFFFAOYSA-N 2 2 225.267 0.335 20 0 BCADLP O[C@@H]1C[C@H](O)C[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000678839541 488290218 /nfs/dbraw/zinc/29/02/18/488290218.db2.gz YBUUJDPOUFPISN-TXEJJXNPSA-N 2 2 247.298 0.262 20 0 BCADLP O[C@@H]1C[C@H](O)C[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000678839541 488290220 /nfs/dbraw/zinc/29/02/20/488290220.db2.gz YBUUJDPOUFPISN-TXEJJXNPSA-N 2 2 247.298 0.262 20 0 BCADLP COc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000678883740 488293450 /nfs/dbraw/zinc/29/34/50/488293450.db2.gz SCSWTSWZUBDXPM-QWRGUYRKSA-N 2 2 233.315 0.741 20 0 BCADLP Cn1cnc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000673607026 488297640 /nfs/dbraw/zinc/29/76/40/488297640.db2.gz JXJZBXXLSJGKGC-SNVBAGLBSA-N 2 2 231.303 0.721 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000673640172 488299082 /nfs/dbraw/zinc/29/90/82/488299082.db2.gz DKVVNKLOZCHPTP-RYUDHWBXSA-N 2 2 248.330 0.626 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000673640172 488299083 /nfs/dbraw/zinc/29/90/83/488299083.db2.gz DKVVNKLOZCHPTP-RYUDHWBXSA-N 2 2 248.330 0.626 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000673640169 488299228 /nfs/dbraw/zinc/29/92/28/488299228.db2.gz DKVVNKLOZCHPTP-NEPJUHHUSA-N 2 2 248.330 0.626 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000673640169 488299230 /nfs/dbraw/zinc/29/92/30/488299230.db2.gz DKVVNKLOZCHPTP-NEPJUHHUSA-N 2 2 248.330 0.626 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)CC(=O)N(C)C)[C@@H](C)C1 ZINC000679074231 488303681 /nfs/dbraw/zinc/30/36/81/488303681.db2.gz AEKSHXZCNQZKTJ-TUAOUCFPSA-N 2 2 241.379 0.783 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)CC(=O)N(C)C)[C@@H](C)C1 ZINC000679074231 488303684 /nfs/dbraw/zinc/30/36/84/488303684.db2.gz AEKSHXZCNQZKTJ-TUAOUCFPSA-N 2 2 241.379 0.783 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCn1cncn1 ZINC000679036535 488304398 /nfs/dbraw/zinc/30/43/98/488304398.db2.gz MQAOTURPNROVKC-WCQYABFASA-N 2 2 249.362 0.741 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCn1cncn1 ZINC000679036535 488304399 /nfs/dbraw/zinc/30/43/99/488304399.db2.gz MQAOTURPNROVKC-WCQYABFASA-N 2 2 249.362 0.741 20 0 BCADLP Cc1nc(NC[C@@H]2CSCC[NH2+]2)cc[nH+]1 ZINC000641686979 490102316 /nfs/dbraw/zinc/10/23/16/490102316.db2.gz GJIZVUDUJQWPNH-SECBINFHSA-N 2 2 224.333 0.902 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000382215199 490137003 /nfs/dbraw/zinc/13/70/03/490137003.db2.gz LRPVSNHOSRURDR-KNZXXDILSA-N 2 2 210.321 0.846 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000382215199 490137010 /nfs/dbraw/zinc/13/70/10/490137010.db2.gz LRPVSNHOSRURDR-KNZXXDILSA-N 2 2 210.321 0.846 20 0 BCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000558645684 490285737 /nfs/dbraw/zinc/28/57/37/490285737.db2.gz IDRYXSWZKGKLCX-GFCCVEGCSA-N 2 2 248.330 0.580 20 0 BCADLP COC(=O)c1cc(C[NH2+][C@H]2CCC[NH2+]C2)c[nH]1 ZINC000414869014 490301551 /nfs/dbraw/zinc/30/15/51/490301551.db2.gz QRWDSJSWSPOJPZ-JTQLQIEISA-N 2 2 237.303 0.643 20 0 BCADLP CCc1nn(C)cc1C[N@H+](C)CC1C[NH+](C)C1 ZINC000668538808 490357128 /nfs/dbraw/zinc/35/71/28/490357128.db2.gz CUUUWZSCYORPPL-UHFFFAOYSA-N 2 2 236.363 0.976 20 0 BCADLP CCc1nn(C)cc1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668538808 490357132 /nfs/dbraw/zinc/35/71/32/490357132.db2.gz CUUUWZSCYORPPL-UHFFFAOYSA-N 2 2 236.363 0.976 20 0 BCADLP [NH3+]C1(C(=O)NCc2c[nH+]c[nH]2)CCCC1 ZINC000084081111 490365376 /nfs/dbraw/zinc/36/53/76/490365376.db2.gz DYKNJKAPUZAXKJ-UHFFFAOYSA-N 2 2 208.265 0.297 20 0 BCADLP [NH3+]C1(C(=O)NCc2c[nH]c[nH+]2)CCCC1 ZINC000084081111 490365383 /nfs/dbraw/zinc/36/53/83/490365383.db2.gz DYKNJKAPUZAXKJ-UHFFFAOYSA-N 2 2 208.265 0.297 20 0 BCADLP C[C@H](O)[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000564975787 490436099 /nfs/dbraw/zinc/43/60/99/490436099.db2.gz MUABOOBAMIZZNG-SRVKXCTJSA-N 2 2 230.352 0.192 20 0 BCADLP C[C@H](O)[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000564975787 490436101 /nfs/dbraw/zinc/43/61/01/490436101.db2.gz MUABOOBAMIZZNG-SRVKXCTJSA-N 2 2 230.352 0.192 20 0 BCADLP Cc1nccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000131252907 490625610 /nfs/dbraw/zinc/62/56/10/490625610.db2.gz OUWSONNXSLQJEW-QWRGUYRKSA-N 2 2 218.304 0.436 20 0 BCADLP C[NH+](C)CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000169810712 490681934 /nfs/dbraw/zinc/68/19/34/490681934.db2.gz PFCXKGWBIGMXMP-UHFFFAOYSA-N 2 2 236.319 0.677 20 0 BCADLP O[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(F)(F)F ZINC000227479862 491061444 /nfs/dbraw/zinc/06/14/44/491061444.db2.gz FNCHSUVQDCCZDX-GJMOJQLCSA-N 2 2 224.226 0.061 20 0 BCADLP O[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(F)(F)F ZINC000227479862 491061445 /nfs/dbraw/zinc/06/14/45/491061445.db2.gz FNCHSUVQDCCZDX-GJMOJQLCSA-N 2 2 224.226 0.061 20 0 BCADLP COc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000228073282 491089384 /nfs/dbraw/zinc/08/93/84/491089384.db2.gz ZTIRGPSSTGSKFQ-RYUDHWBXSA-N 2 2 233.315 0.741 20 0 BCADLP CN(CC[NH+](C)C)Cc1c[nH+]c2n1CCC2 ZINC000668156694 491117537 /nfs/dbraw/zinc/11/75/37/491117537.db2.gz YQVJDDLRHASEQL-UHFFFAOYSA-N 2 2 222.336 0.823 20 0 BCADLP C[C@@H]1C[C@@H]1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000488422136 533726431 /nfs/dbraw/zinc/72/64/31/533726431.db2.gz YHTNYWIQKPEDEQ-UTUOFQBUSA-N 2 2 239.363 0.572 20 0 BCADLP C[C@@H]1C[C@@H]1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000488422136 533726436 /nfs/dbraw/zinc/72/64/36/533726436.db2.gz YHTNYWIQKPEDEQ-UTUOFQBUSA-N 2 2 239.363 0.572 20 0 BCADLP C[C@H]([NH2+]CC(=O)NC(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000400332669 533817788 /nfs/dbraw/zinc/81/77/88/533817788.db2.gz FFFPGGFZIUKUIU-UWVGGRQHSA-N 2 2 227.352 0.631 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCN1CCOC1=O ZINC000493691413 533901738 /nfs/dbraw/zinc/90/17/38/533901738.db2.gz FATXJEIJDGAIHR-WDEREUQCSA-N 2 2 241.335 0.368 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCN1CCOC1=O ZINC000493691413 533901742 /nfs/dbraw/zinc/90/17/42/533901742.db2.gz FATXJEIJDGAIHR-WDEREUQCSA-N 2 2 241.335 0.368 20 0 BCADLP COC(=O)N1CC([NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000496234737 533932906 /nfs/dbraw/zinc/93/29/06/533932906.db2.gz QGSUGDKTKASDDY-GHMZBOCLSA-N 2 2 241.335 0.687 20 0 BCADLP COC(=O)N1CC([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000496872712 533933524 /nfs/dbraw/zinc/93/35/24/533933524.db2.gz FPFXKLUVGXSMLH-WCBMZHEXSA-N 2 2 227.308 0.167 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261571357 535626637 /nfs/dbraw/zinc/62/66/37/535626637.db2.gz HMZIGZHRWBRFQT-JQWIXIFHSA-N 2 2 226.320 0.623 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261571357 535626643 /nfs/dbraw/zinc/62/66/43/535626643.db2.gz HMZIGZHRWBRFQT-JQWIXIFHSA-N 2 2 226.320 0.623 20 0 BCADLP COc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000892253201 582813707 /nfs/dbraw/zinc/81/37/07/582813707.db2.gz XZCDGBASJJXIBG-AOOOYVTPSA-N 2 2 222.288 0.939 20 0 BCADLP COc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000892253201 582813709 /nfs/dbraw/zinc/81/37/09/582813709.db2.gz XZCDGBASJJXIBG-AOOOYVTPSA-N 2 2 222.288 0.939 20 0 BCADLP COCCOC[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000892441608 582887676 /nfs/dbraw/zinc/88/76/76/582887676.db2.gz PRNQZUULXUUNHZ-LLVKDONJSA-N 2 2 227.308 0.524 20 0 BCADLP COC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000088091268 536472645 /nfs/dbraw/zinc/47/26/45/536472645.db2.gz RCEXYVMWIAVOGJ-QWRGUYRKSA-N 2 2 226.320 0.576 20 0 BCADLP COC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000088091268 536472647 /nfs/dbraw/zinc/47/26/47/536472647.db2.gz RCEXYVMWIAVOGJ-QWRGUYRKSA-N 2 2 226.320 0.576 20 0 BCADLP COC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000088091268 536472650 /nfs/dbraw/zinc/47/26/50/536472650.db2.gz RCEXYVMWIAVOGJ-QWRGUYRKSA-N 2 2 226.320 0.576 20 0 BCADLP COC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000088091268 536472652 /nfs/dbraw/zinc/47/26/52/536472652.db2.gz RCEXYVMWIAVOGJ-QWRGUYRKSA-N 2 2 226.320 0.576 20 0 BCADLP C[N@H+](Cc1cccc2[nH+]ccn21)[C@@H]1COC[C@@H]1O ZINC000348638193 536477767 /nfs/dbraw/zinc/47/77/67/536477767.db2.gz VHHWIGYYQOGVFP-NEPJUHHUSA-N 2 2 247.298 0.526 20 0 BCADLP C[N@@H+](Cc1cccc2[nH+]ccn21)[C@@H]1COC[C@@H]1O ZINC000348638193 536477768 /nfs/dbraw/zinc/47/77/68/536477768.db2.gz VHHWIGYYQOGVFP-NEPJUHHUSA-N 2 2 247.298 0.526 20 0 BCADLP CCN(C)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400548504 527725367 /nfs/dbraw/zinc/72/53/67/527725367.db2.gz WROFPGGLKPQSFP-VHSXEESVSA-N 2 2 213.325 0.195 20 0 BCADLP CC[N@H+](C)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492901459 527794590 /nfs/dbraw/zinc/79/45/90/527794590.db2.gz PIOVQCSJMNDQKS-PLNGDYQASA-N 2 2 222.292 0.491 20 0 BCADLP CC[N@@H+]1CC[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493297428 527838370 /nfs/dbraw/zinc/83/83/70/527838370.db2.gz DJAYQKRHNXNUDI-BYCRGOAPSA-N 2 2 234.303 0.633 20 0 BCADLP CC[N@H+]1CC[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493297428 527838373 /nfs/dbraw/zinc/83/83/73/527838373.db2.gz DJAYQKRHNXNUDI-BYCRGOAPSA-N 2 2 234.303 0.633 20 0 BCADLP CCN1C[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)CC1=O ZINC000400336505 527993838 /nfs/dbraw/zinc/99/38/38/527993838.db2.gz GEMOXHIXGNWUQU-GMTAPVOTSA-N 2 2 225.336 0.337 20 0 BCADLP CC[N@@H+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000493685483 529108912 /nfs/dbraw/zinc/10/89/12/529108912.db2.gz MWWAGSREEXUDCG-ZWNMCFTASA-N 2 2 248.330 0.976 20 0 BCADLP CC[N@H+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000493685483 529108919 /nfs/dbraw/zinc/10/89/19/529108919.db2.gz MWWAGSREEXUDCG-ZWNMCFTASA-N 2 2 248.330 0.976 20 0 BCADLP CCCNC(=O)[C@@H](C)[N@H+](C)CCC[NH2+]C ZINC000087472606 535102180 /nfs/dbraw/zinc/10/21/80/535102180.db2.gz LNDDXYXWGMCKJQ-SNVBAGLBSA-N 2 2 215.341 0.442 20 0 BCADLP CCCNC(=O)[C@@H](C)[N@@H+](C)CCC[NH2+]C ZINC000087472606 535102185 /nfs/dbraw/zinc/10/21/85/535102185.db2.gz LNDDXYXWGMCKJQ-SNVBAGLBSA-N 2 2 215.341 0.442 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000248400225 535944369 /nfs/dbraw/zinc/94/43/69/535944369.db2.gz XFVUZELTIPLJJQ-DTWKUNHWSA-N 2 2 240.269 0.793 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000248400225 535944374 /nfs/dbraw/zinc/94/43/74/535944374.db2.gz XFVUZELTIPLJJQ-DTWKUNHWSA-N 2 2 240.269 0.793 20 0 BCADLP C[NH2+][C@@H]1CC[N@H+](CC(C)(C)COC)C1 ZINC000261528397 536375405 /nfs/dbraw/zinc/37/54/05/536375405.db2.gz LKPBNQBAGGXEMC-SNVBAGLBSA-N 2 2 200.326 0.953 20 0 BCADLP C[NH2+][C@@H]1CC[N@@H+](CC(C)(C)COC)C1 ZINC000261528397 536375408 /nfs/dbraw/zinc/37/54/08/536375408.db2.gz LKPBNQBAGGXEMC-SNVBAGLBSA-N 2 2 200.326 0.953 20 0 BCADLP Cn1nncc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000261545490 536485171 /nfs/dbraw/zinc/48/51/71/536485171.db2.gz KDUAQBMRXYPLHX-UHFFFAOYSA-N 2 2 211.313 0.232 20 0 BCADLP Cn1nncc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000261545490 536485172 /nfs/dbraw/zinc/48/51/72/536485172.db2.gz KDUAQBMRXYPLHX-UHFFFAOYSA-N 2 2 211.313 0.232 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253192281 536630052 /nfs/dbraw/zinc/63/00/52/536630052.db2.gz MYFVHLZWECWNKV-LPEHRKFASA-N 2 2 214.309 0.465 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253192281 536630056 /nfs/dbraw/zinc/63/00/56/536630056.db2.gz MYFVHLZWECWNKV-LPEHRKFASA-N 2 2 214.309 0.465 20 0 BCADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CCOC1)CC2 ZINC000336747136 566392413 /nfs/dbraw/zinc/39/24/13/566392413.db2.gz CDPGHQPGUZPFLN-UWVGGRQHSA-N 2 2 207.277 0.576 20 0 BCADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@H]2CNC(=O)C2)C1 ZINC000851841512 582971054 /nfs/dbraw/zinc/97/10/54/582971054.db2.gz UVWOHRCSAPXIRM-NWDGAFQWSA-N 2 2 239.363 0.585 20 0 BCADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2CNC(=O)C2)C1 ZINC000851841512 582971059 /nfs/dbraw/zinc/97/10/59/582971059.db2.gz UVWOHRCSAPXIRM-NWDGAFQWSA-N 2 2 239.363 0.585 20 0 BCADLP COc1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)o1 ZINC000893179244 583064966 /nfs/dbraw/zinc/06/49/66/583064966.db2.gz NJXOHDIECBZPRZ-LBPRGKRZSA-N 2 2 242.319 0.690 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]C1CCC(C)(O)CC1 ZINC000893646178 583185907 /nfs/dbraw/zinc/18/59/07/583185907.db2.gz GVGLGILQDKIEPA-UHFFFAOYSA-N 2 2 244.379 0.584 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]C1CCC(C)(O)CC1 ZINC000893646178 583185911 /nfs/dbraw/zinc/18/59/11/583185911.db2.gz GVGLGILQDKIEPA-UHFFFAOYSA-N 2 2 244.379 0.584 20 0 BCADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)c1ccccn1 ZINC000853099969 588720041 /nfs/dbraw/zinc/72/00/41/588720041.db2.gz WNLPASVCUQMCNZ-WCQYABFASA-N 2 2 235.331 0.799 20 0 BCADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)c1ccccn1 ZINC000853099969 588720042 /nfs/dbraw/zinc/72/00/42/588720042.db2.gz WNLPASVCUQMCNZ-WCQYABFASA-N 2 2 235.331 0.799 20 0 BCADLP CC(C)OCC(N)=[NH+]OCCc1c[nH+]cn1C ZINC000853657523 588753063 /nfs/dbraw/zinc/75/30/63/588753063.db2.gz CMWZKKCSHZBXLE-UHFFFAOYSA-N 2 2 240.307 0.886 20 0 BCADLP Cn1c[nH+]cc1CCO[NH+]=C(N)[C@H]1CCCO1 ZINC000853698736 588757767 /nfs/dbraw/zinc/75/77/67/588757767.db2.gz SWVAQXFQZSURDE-SNVBAGLBSA-N 2 2 238.291 0.640 20 0 BCADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ncccn1 ZINC000854226931 588780759 /nfs/dbraw/zinc/78/07/59/588780759.db2.gz FWOVOJCORSCCIQ-MNOVXSKESA-N 2 2 220.320 0.954 20 0 BCADLP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854651291 588799276 /nfs/dbraw/zinc/79/92/76/588799276.db2.gz WGERQRNIYZABIT-UWVGGRQHSA-N 2 2 236.319 0.503 20 0 BCADLP CCN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CC[N@H+](C)C1 ZINC000855362042 588828842 /nfs/dbraw/zinc/82/88/42/588828842.db2.gz MGHSCRHTXWUZHI-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP CCN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CC[N@@H+](C)C1 ZINC000855362042 588828843 /nfs/dbraw/zinc/82/88/43/588828843.db2.gz MGHSCRHTXWUZHI-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cnn(C)n2)[C@H](C)C1 ZINC000806167365 582518174 /nfs/dbraw/zinc/51/81/74/582518174.db2.gz SQFAVGWIZIVLHQ-PWSUYJOCSA-N 2 2 237.351 0.635 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cnn(C)n2)[C@H](C)C1 ZINC000806167365 582518175 /nfs/dbraw/zinc/51/81/75/582518175.db2.gz SQFAVGWIZIVLHQ-PWSUYJOCSA-N 2 2 237.351 0.635 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000891508079 582693756 /nfs/dbraw/zinc/69/37/56/582693756.db2.gz MIFJUBJESZAZKJ-SECBINFHSA-N 2 2 237.307 0.053 20 0 BCADLP O=C(N[C@H]1CCn2cc[nH+]c21)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891928287 582738887 /nfs/dbraw/zinc/73/88/87/582738887.db2.gz XVFUNHAVMVHCKK-GUBZILKMSA-N 2 2 247.302 0.084 20 0 BCADLP CC(C)[C@H]([NH3+])CNC(=O)NCc1c[nH+]cn1C ZINC000892020260 582763413 /nfs/dbraw/zinc/76/34/13/582763413.db2.gz UZMJCTKDVRKTFB-SNVBAGLBSA-N 2 2 239.323 0.203 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000892024925 582764728 /nfs/dbraw/zinc/76/47/28/582764728.db2.gz SRLMDHOJGDKOHQ-VIFPVBQESA-N 2 2 237.307 0.288 20 0 BCADLP C[C@H](C[NH3+])CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000892045652 582771482 /nfs/dbraw/zinc/77/14/82/582771482.db2.gz ULZNFECKPFXDPH-MRVPVSSYSA-N 2 2 225.296 0.146 20 0 BCADLP Cc1nc2n(n1)CC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC000892055063 582777564 /nfs/dbraw/zinc/77/75/64/582777564.db2.gz FXBZDPIYHROXTA-UHFFFAOYSA-N 2 2 249.362 0.744 20 0 BCADLP Cc1nc2n(n1)CC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC000892055063 582777568 /nfs/dbraw/zinc/77/75/68/582777568.db2.gz FXBZDPIYHROXTA-UHFFFAOYSA-N 2 2 249.362 0.744 20 0 BCADLP C[C@H](CCC[NH3+])NC(=O)NCc1c[nH+]cn1C ZINC000892140019 582799297 /nfs/dbraw/zinc/79/92/97/582799297.db2.gz GVRFSDJMFWDOAO-SECBINFHSA-N 2 2 239.323 0.347 20 0 BCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000892200435 582807263 /nfs/dbraw/zinc/80/72/63/582807263.db2.gz QDLBHHCMRMKAHF-DTWKUNHWSA-N 2 2 239.323 0.677 20 0 BCADLP COc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000892253202 582813765 /nfs/dbraw/zinc/81/37/65/582813765.db2.gz XZCDGBASJJXIBG-NXEZZACHSA-N 2 2 222.288 0.939 20 0 BCADLP CCn1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)n1 ZINC000892251930 582814240 /nfs/dbraw/zinc/81/42/40/582814240.db2.gz MJDBEZDRJVFQBG-TXEJJXNPSA-N 2 2 234.347 0.863 20 0 BCADLP CCn1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)n1 ZINC000892251930 582814241 /nfs/dbraw/zinc/81/42/41/582814241.db2.gz MJDBEZDRJVFQBG-TXEJJXNPSA-N 2 2 234.347 0.863 20 0 BCADLP CC[N@@H+]1CCCN(c2nc(N)cc(C)[nH+]2)CC1 ZINC000892423899 582883322 /nfs/dbraw/zinc/88/33/22/582883322.db2.gz BURNYSOJFFJQDY-UHFFFAOYSA-N 2 2 235.335 0.899 20 0 BCADLP CC[N@H+]1CCCN(c2nc(N)cc(C)[nH+]2)CC1 ZINC000892423899 582883324 /nfs/dbraw/zinc/88/33/24/582883324.db2.gz BURNYSOJFFJQDY-UHFFFAOYSA-N 2 2 235.335 0.899 20 0 BCADLP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@@H]2CNC(=O)C2)C1 ZINC000851841513 582970998 /nfs/dbraw/zinc/97/09/98/582970998.db2.gz UVWOHRCSAPXIRM-RYUDHWBXSA-N 2 2 239.363 0.585 20 0 BCADLP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@@H]2CNC(=O)C2)C1 ZINC000851841513 582971003 /nfs/dbraw/zinc/97/10/03/582971003.db2.gz UVWOHRCSAPXIRM-RYUDHWBXSA-N 2 2 239.363 0.585 20 0 BCADLP Cc1cc(N)nc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)[nH+]1 ZINC000893077617 583043555 /nfs/dbraw/zinc/04/35/55/583043555.db2.gz BEEIQWFMHXHRSQ-ZJUUUORDSA-N 2 2 235.335 0.896 20 0 BCADLP Cc1cc(N)nc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)[nH+]1 ZINC000893077617 583043556 /nfs/dbraw/zinc/04/35/56/583043556.db2.gz BEEIQWFMHXHRSQ-ZJUUUORDSA-N 2 2 235.335 0.896 20 0 BCADLP COc1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)o1 ZINC000893179243 583064754 /nfs/dbraw/zinc/06/47/54/583064754.db2.gz NJXOHDIECBZPRZ-GFCCVEGCSA-N 2 2 242.319 0.690 20 0 BCADLP CCn1ncc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000857084702 588886516 /nfs/dbraw/zinc/88/65/16/588886516.db2.gz XZRYLVLNERBNAJ-VHSXEESVSA-N 2 2 223.324 0.467 20 0 BCADLP CCn1ncc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000857084702 588886518 /nfs/dbraw/zinc/88/65/18/588886518.db2.gz XZRYLVLNERBNAJ-VHSXEESVSA-N 2 2 223.324 0.467 20 0 BCADLP CCn1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000857084418 588886297 /nfs/dbraw/zinc/88/62/97/588886297.db2.gz SBLMHZKKAGSMIT-WCFLWFBJSA-N 2 2 249.362 0.857 20 0 BCADLP CCn1ncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000857084418 588886299 /nfs/dbraw/zinc/88/62/99/588886299.db2.gz SBLMHZKKAGSMIT-WCFLWFBJSA-N 2 2 249.362 0.857 20 0 BCADLP C[C@@H](C[NH+](C)C)Nc1cc(N(C)C)[nH+]cn1 ZINC000893855132 583232997 /nfs/dbraw/zinc/23/29/97/583232997.db2.gz DRULMWZXBGLGJY-VIFPVBQESA-N 2 2 223.324 0.905 20 0 BCADLP C[C@H]([NH3+])CCNC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000857103897 588887712 /nfs/dbraw/zinc/88/77/12/588887712.db2.gz FZOFODZMEFTIIN-IUCAKERBSA-N 2 2 237.307 0.364 20 0 BCADLP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000857103892 588888008 /nfs/dbraw/zinc/88/80/08/588888008.db2.gz FZOFODZMEFTIIN-DTWKUNHWSA-N 2 2 237.307 0.364 20 0 BCADLP Cc1nc(N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc[nH+]1 ZINC000893938444 583254150 /nfs/dbraw/zinc/25/41/50/583254150.db2.gz COTQOOAMZBNGSX-WDEREUQCSA-N 2 2 218.304 0.925 20 0 BCADLP Cc1nc(N2CC[C@H]3C[N@H+](C)C[C@H]32)cc[nH+]1 ZINC000893938444 583254152 /nfs/dbraw/zinc/25/41/52/583254152.db2.gz COTQOOAMZBNGSX-WDEREUQCSA-N 2 2 218.304 0.925 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@H+](CCO)C1CC1 ZINC000893943710 583256099 /nfs/dbraw/zinc/25/60/99/583256099.db2.gz CZYACKHZSOQGLS-UHFFFAOYSA-N 2 2 221.304 0.929 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@@H+](CCO)C1CC1 ZINC000893943710 583256101 /nfs/dbraw/zinc/25/61/01/583256101.db2.gz CZYACKHZSOQGLS-UHFFFAOYSA-N 2 2 221.304 0.929 20 0 BCADLP C[C@@H]1c2nncn2CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000893989402 583270012 /nfs/dbraw/zinc/27/00/12/583270012.db2.gz OGAAIKJEPVVLKZ-LLVKDONJSA-N 2 2 249.362 0.997 20 0 BCADLP C[C@@H]1c2nncn2CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000893989402 583270013 /nfs/dbraw/zinc/27/00/13/583270013.db2.gz OGAAIKJEPVVLKZ-LLVKDONJSA-N 2 2 249.362 0.997 20 0 BCADLP Cc1cc[nH+]c(N)c1C[NH2+]CC(=O)N(C)C ZINC000894394451 583447087 /nfs/dbraw/zinc/44/70/87/583447087.db2.gz QTIHFVLZVWKALZ-UHFFFAOYSA-N 2 2 222.292 0.150 20 0 BCADLP c1[nH]c(C[NH2+]CC2(N3CCOCC3)CC2)c[nH+]1 ZINC000894570453 583485781 /nfs/dbraw/zinc/48/57/81/583485781.db2.gz WETKVJFWKJSXPS-UHFFFAOYSA-N 2 2 236.319 0.364 20 0 BCADLP Cc1cc[nH+]c(N)c1C[NH2+]CC(=O)NC1CC1 ZINC000894783576 583521244 /nfs/dbraw/zinc/52/12/44/583521244.db2.gz VYIIFYKBDRKKAV-UHFFFAOYSA-N 2 2 234.303 0.340 20 0 BCADLP CO[C@H]1COCC[C@@H]1C[NH2+]Cc1c[nH+]c[nH]1 ZINC000894889603 583548154 /nfs/dbraw/zinc/54/81/54/583548154.db2.gz VSMSVDJSKBCVAB-KOLCDFICSA-N 2 2 225.292 0.551 20 0 BCADLP CC(=O)OC[C@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000894956484 583559036 /nfs/dbraw/zinc/55/90/36/583559036.db2.gz QNEUGLXJVAABON-VIFPVBQESA-N 2 2 214.309 0.622 20 0 BCADLP O=C1NCCC[C@@H]1C[NH2+]Cc1c[nH+]c[nH]1 ZINC000894983363 583564667 /nfs/dbraw/zinc/56/46/67/583564667.db2.gz CICMEQBGXMBLPO-MRVPVSSYSA-N 2 2 208.265 0.026 20 0 BCADLP CCS(=O)(=O)CCC[NH2+]Cc1c[nH+]c[nH]1 ZINC000895013081 583567951 /nfs/dbraw/zinc/56/79/51/583567951.db2.gz XPZNKGGIHUHZJR-UHFFFAOYSA-N 2 2 231.321 0.324 20 0 BCADLP CON(C)C(=O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000895046607 583571151 /nfs/dbraw/zinc/57/11/51/583571151.db2.gz PHQRYBSVLTYZRL-JTQLQIEISA-N 2 2 243.351 0.469 20 0 BCADLP CON(C)C(=O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000895046607 583571153 /nfs/dbraw/zinc/57/11/53/583571153.db2.gz PHQRYBSVLTYZRL-JTQLQIEISA-N 2 2 243.351 0.469 20 0 BCADLP CC[C@H](C[NH2+]Cc1c[nH+]c[nH]1)C(=O)OC ZINC000895127533 583598592 /nfs/dbraw/zinc/59/85/92/583598592.db2.gz MATLBXRLBWYHCX-MRVPVSSYSA-N 2 2 211.265 0.699 20 0 BCADLP Cc1nc(N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)cc[nH+]1 ZINC000895245614 583631547 /nfs/dbraw/zinc/63/15/47/583631547.db2.gz GYHBJYHFXBQSHQ-JQWIXIFHSA-N 2 2 249.362 0.831 20 0 BCADLP Cc1nc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc[nH+]1 ZINC000895245614 583631549 /nfs/dbraw/zinc/63/15/49/583631549.db2.gz GYHBJYHFXBQSHQ-JQWIXIFHSA-N 2 2 249.362 0.831 20 0 BCADLP Cc1nc(N[C@H](C)[C@H]2C[N@H+](C)CCN2C)cc[nH+]1 ZINC000895245616 583631651 /nfs/dbraw/zinc/63/16/51/583631651.db2.gz GYHBJYHFXBQSHQ-ZYHUDNBSSA-N 2 2 249.362 0.831 20 0 BCADLP Cc1nc(N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)cc[nH+]1 ZINC000895245616 583631652 /nfs/dbraw/zinc/63/16/52/583631652.db2.gz GYHBJYHFXBQSHQ-ZYHUDNBSSA-N 2 2 249.362 0.831 20 0 BCADLP CCn1c[nH+]cc1C[N@@H+]1CCCn2nncc2C1 ZINC000895755768 583720326 /nfs/dbraw/zinc/72/03/26/583720326.db2.gz ACJNNLNDYCLSCZ-UHFFFAOYSA-N 2 2 246.318 0.900 20 0 BCADLP CCn1c[nH+]cc1C[N@H+]1CCCn2nncc2C1 ZINC000895755768 583720328 /nfs/dbraw/zinc/72/03/28/583720328.db2.gz ACJNNLNDYCLSCZ-UHFFFAOYSA-N 2 2 246.318 0.900 20 0 BCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857985225 588925956 /nfs/dbraw/zinc/92/59/56/588925956.db2.gz NJIQLXLMFPEBJU-SNVBAGLBSA-N 2 2 236.319 0.784 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]1C)[C@H]1CCOC1 ZINC000896553693 583811493 /nfs/dbraw/zinc/81/14/93/583811493.db2.gz GFISRCWABGMDBN-WUHRBBMRSA-N 2 2 242.363 0.720 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C)[C@H]1CCOC1 ZINC000896553693 583811494 /nfs/dbraw/zinc/81/14/94/583811494.db2.gz GFISRCWABGMDBN-WUHRBBMRSA-N 2 2 242.363 0.720 20 0 BCADLP COCCOC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000896553619 583811981 /nfs/dbraw/zinc/81/19/81/583811981.db2.gz RCDYNOOGBLTFMS-TUAOUCFPSA-N 2 2 230.352 0.720 20 0 BCADLP COCCOC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000896553619 583811982 /nfs/dbraw/zinc/81/19/82/583811982.db2.gz RCDYNOOGBLTFMS-TUAOUCFPSA-N 2 2 230.352 0.720 20 0 BCADLP CCO[C@@H](C[NH2+][C@@H](C)COC(C)=O)C[NH+](C)C ZINC000896878409 583844329 /nfs/dbraw/zinc/84/43/29/583844329.db2.gz PQDQBHNUIMIJLA-JQWIXIFHSA-N 2 2 246.351 0.494 20 0 BCADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)CO1 ZINC000865658980 584025964 /nfs/dbraw/zinc/02/59/64/584025964.db2.gz BNPXSIXQBBINFJ-SRVKXCTJSA-N 2 2 242.363 0.599 20 0 BCADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)CO1 ZINC000865658980 584025966 /nfs/dbraw/zinc/02/59/66/584025966.db2.gz BNPXSIXQBBINFJ-SRVKXCTJSA-N 2 2 242.363 0.599 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@]2(C)CCNC2=O)n1C ZINC000897867753 584055568 /nfs/dbraw/zinc/05/55/68/584055568.db2.gz AKOUUJLGFIXCGC-NSHDSACASA-N 2 2 222.292 0.097 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC[C@@H](O)C1CC1 ZINC000898202989 584090473 /nfs/dbraw/zinc/09/04/73/584090473.db2.gz PCPXRNXLAPJXAY-YUSALJHKSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC[C@@H](O)C1CC1 ZINC000898202989 584090474 /nfs/dbraw/zinc/09/04/74/584090474.db2.gz PCPXRNXLAPJXAY-YUSALJHKSA-N 2 2 212.337 0.687 20 0 BCADLP COC(=O)C1=CC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000858474105 588958606 /nfs/dbraw/zinc/95/86/06/588958606.db2.gz VHEQMKVVJUCXRM-USWWRNFRSA-N 2 2 238.331 0.788 20 0 BCADLP COC(=O)C1=CC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000858474105 588958607 /nfs/dbraw/zinc/95/86/07/588958607.db2.gz VHEQMKVVJUCXRM-USWWRNFRSA-N 2 2 238.331 0.788 20 0 BCADLP C[C@H]([NH2+]C1CC[NH2+]CC1)c1nnnn1C1CC1 ZINC000873220543 584127287 /nfs/dbraw/zinc/12/72/87/584127287.db2.gz UIHGDCGOZXZWIW-QMMMGPOBSA-N 2 2 236.323 0.411 20 0 BCADLP C[NH+](C)CC1(C(=O)N[C@H]2CCn3c[nH+]cc32)CC1 ZINC000898811082 584159956 /nfs/dbraw/zinc/15/99/56/584159956.db2.gz QMKJUNLQLNFORU-JTQLQIEISA-N 2 2 248.330 0.786 20 0 BCADLP C[C@H](NC(=[NH2+])NCCn1cc[nH+]c1)C1CC1 ZINC000899263868 584188281 /nfs/dbraw/zinc/18/82/81/584188281.db2.gz SLBATFYUQIBIDM-VIFPVBQESA-N 2 2 221.308 0.796 20 0 BCADLP C[C@@H](NC(=[NH2+])NCCc1cn(C)c[nH+]1)C1CC1 ZINC000899272424 584192096 /nfs/dbraw/zinc/19/20/96/584192096.db2.gz GOAQDPIOYFXGDG-SECBINFHSA-N 2 2 235.335 0.875 20 0 BCADLP C[C@@H](NC(=[NH2+])NCc1c[nH+]cn1C)C1CC1 ZINC000899273118 584192702 /nfs/dbraw/zinc/19/27/02/584192702.db2.gz WICSXCGVQLCZCD-MRVPVSSYSA-N 2 2 221.308 0.833 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000858602452 588968657 /nfs/dbraw/zinc/96/86/57/588968657.db2.gz ZTAQQDOEPXFVGM-YNEHKIRRSA-N 2 2 224.348 0.831 20 0 BCADLP O[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000858602452 588968658 /nfs/dbraw/zinc/96/86/58/588968658.db2.gz ZTAQQDOEPXFVGM-YNEHKIRRSA-N 2 2 224.348 0.831 20 0 BCADLP CON(C)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000858580034 588968842 /nfs/dbraw/zinc/96/88/42/588968842.db2.gz VVVCLZBORGFMBM-GARJFASQSA-N 2 2 243.351 0.467 20 0 BCADLP CON(C)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000858580034 588968843 /nfs/dbraw/zinc/96/88/43/588968843.db2.gz VVVCLZBORGFMBM-GARJFASQSA-N 2 2 243.351 0.467 20 0 BCADLP [NH3+][C@H](Cc1nc(C2([NH3+])CCCC2)no1)C(F)F ZINC000900005298 584264215 /nfs/dbraw/zinc/26/42/15/584264215.db2.gz FCLKOKMVJLALDB-ZCFIWIBFSA-N 2 2 246.261 0.933 20 0 BCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1C[NH+]2CCC1CC2 ZINC000900659816 584337014 /nfs/dbraw/zinc/33/70/14/584337014.db2.gz AGSNGJJUVGXZTQ-GFCCVEGCSA-N 2 2 248.330 0.505 20 0 BCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[NH+](C2CCC2)CC1 ZINC000900706380 584343285 /nfs/dbraw/zinc/34/32/85/584343285.db2.gz HQOXBWORULIFBD-UHFFFAOYSA-N 2 2 248.330 0.649 20 0 BCADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000900846635 584356890 /nfs/dbraw/zinc/35/68/90/584356890.db2.gz JBWYRPAMUNKNIE-VIFPVBQESA-N 2 2 222.292 0.115 20 0 BCADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000900846635 584356892 /nfs/dbraw/zinc/35/68/92/584356892.db2.gz JBWYRPAMUNKNIE-VIFPVBQESA-N 2 2 222.292 0.115 20 0 BCADLP CC[N@@H+]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000901198014 584397542 /nfs/dbraw/zinc/39/75/42/584397542.db2.gz FWZVBQGUCFGULQ-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP CC[N@H+]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000901198014 584397545 /nfs/dbraw/zinc/39/75/45/584397545.db2.gz FWZVBQGUCFGULQ-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP CCn1c[nH+]c(CNC[C@@H](C)[NH+](C)C)c1 ZINC000902193809 584537023 /nfs/dbraw/zinc/53/70/23/584537023.db2.gz BZDUNZGCZWOSNW-SNVBAGLBSA-N 2 2 210.325 0.943 20 0 BCADLP C[C@@H]1C[C@H](NCC2([NH3+])CC2)c2[nH+]ccn21 ZINC000902404218 584588588 /nfs/dbraw/zinc/58/85/88/584588588.db2.gz CXHZWXJNGPKFSW-BDAKNGLRSA-N 2 2 206.293 0.970 20 0 BCADLP C[C@H]1C[C@H](NCC2([NH3+])CC2)c2[nH+]ccn21 ZINC000902404221 584588611 /nfs/dbraw/zinc/58/86/11/584588611.db2.gz CXHZWXJNGPKFSW-IUCAKERBSA-N 2 2 206.293 0.970 20 0 BCADLP C([NH2+][C@@H]1C[NH2+]CCOC1)[C@H]1CC[C@@H](C2CC2)O1 ZINC000902431668 584595432 /nfs/dbraw/zinc/59/54/32/584595432.db2.gz TXFLZWVFGLYXDT-UPJWGTAASA-N 2 2 240.347 0.522 20 0 BCADLP CC1(C)C[NH2+]C[C@H]1N[C@H]1CCn2cc[nH+]c21 ZINC000902440886 584597536 /nfs/dbraw/zinc/59/75/36/584597536.db2.gz AYGUGRCBKMRDGT-VHSXEESVSA-N 2 2 220.320 0.916 20 0 BCADLP CC[C@H](COC)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902449196 584605505 /nfs/dbraw/zinc/60/55/05/584605505.db2.gz MHRMMSSGYNCILJ-ZJUUUORDSA-N 2 2 200.326 0.999 20 0 BCADLP CC[C@@H](COC)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902449195 584605744 /nfs/dbraw/zinc/60/57/44/584605744.db2.gz MHRMMSSGYNCILJ-VHSXEESVSA-N 2 2 200.326 0.999 20 0 BCADLP Fc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000859085297 588999206 /nfs/dbraw/zinc/99/92/06/588999206.db2.gz IBBUENXXSADUTR-PHIMTYICSA-N 2 2 221.279 0.872 20 0 BCADLP Fc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000859085297 588999207 /nfs/dbraw/zinc/99/92/07/588999207.db2.gz IBBUENXXSADUTR-PHIMTYICSA-N 2 2 221.279 0.872 20 0 BCADLP C1[C@H]2CCC[C@@H]2[C@H]1[NH2+][C@H]1C[NH2+]CCOC1 ZINC000902455339 584609120 /nfs/dbraw/zinc/60/91/20/584609120.db2.gz LCHQNAHYFMGKCD-RHYQMDGZSA-N 2 2 210.321 0.753 20 0 BCADLP [NH3+]C[C@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902460598 584611784 /nfs/dbraw/zinc/61/17/84/584611784.db2.gz HLCMVSWISFISSM-NZEXEKPDSA-N 3 2 223.364 0.986 20 0 BCADLP Cn1c[nH+]c(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000902462136 584612213 /nfs/dbraw/zinc/61/22/13/584612213.db2.gz SZCRFBFWKZZSBA-XZPDDHLCSA-N 2 2 232.331 0.506 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486265 584625252 /nfs/dbraw/zinc/62/52/52/584625252.db2.gz CMWWJUDSERDURB-KKOKHZNYSA-N 3 2 227.352 0.080 20 0 BCADLP C[C@H]1[C@@H]([NH2+]C2CCN(C=O)CC2)CC[N@@H+]1C ZINC000903300658 584743541 /nfs/dbraw/zinc/74/35/41/584743541.db2.gz KLZMVBVWGLJOAJ-JQWIXIFHSA-N 2 2 225.336 0.289 20 0 BCADLP C[C@H]1[C@@H]([NH2+]C2CCN(C=O)CC2)CC[N@H+]1C ZINC000903300658 584743542 /nfs/dbraw/zinc/74/35/42/584743542.db2.gz KLZMVBVWGLJOAJ-JQWIXIFHSA-N 2 2 225.336 0.289 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000903300663 584743585 /nfs/dbraw/zinc/74/35/85/584743585.db2.gz KNLKLGBZOUAQPU-OUAUKWLOSA-N 2 2 223.324 0.349 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000903300663 584743586 /nfs/dbraw/zinc/74/35/86/584743586.db2.gz KNLKLGBZOUAQPU-OUAUKWLOSA-N 2 2 223.324 0.349 20 0 BCADLP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903426052 584761153 /nfs/dbraw/zinc/76/11/53/584761153.db2.gz CYNWPLIXPUUTAH-WOPDTQHZSA-N 3 2 213.369 0.805 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000903425032 584765524 /nfs/dbraw/zinc/76/55/24/584765524.db2.gz PCBAKNLYLPLKCY-RHYQMDGZSA-N 3 2 211.353 0.511 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000903425032 584765526 /nfs/dbraw/zinc/76/55/26/584765526.db2.gz PCBAKNLYLPLKCY-RHYQMDGZSA-N 3 2 211.353 0.511 20 0 BCADLP c1nncn1CC1CC[NH+](C[C@H]2CCC[NH2+]2)CC1 ZINC000903460984 584766340 /nfs/dbraw/zinc/76/63/40/584766340.db2.gz LABGORWZAFOHTJ-CYBMUJFWSA-N 2 2 249.362 0.742 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000903452474 584772045 /nfs/dbraw/zinc/77/20/45/584772045.db2.gz NCYAZAZXLXCCKW-GRYCIOLGSA-N 3 2 211.353 0.513 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000903452474 584772046 /nfs/dbraw/zinc/77/20/46/584772046.db2.gz NCYAZAZXLXCCKW-GRYCIOLGSA-N 3 2 211.353 0.513 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000903454577 584773370 /nfs/dbraw/zinc/77/33/70/584773370.db2.gz CRVKRANRVGFGSQ-BNDIWNMDSA-N 3 2 225.380 0.818 20 0 BCADLP CS(=O)(=O)CCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903469678 584774548 /nfs/dbraw/zinc/77/45/48/584774548.db2.gz ADFKIISUHRKENJ-JTQLQIEISA-N 2 2 246.376 0.295 20 0 BCADLP CCNC(=O)[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903469825 584774794 /nfs/dbraw/zinc/77/47/94/584774794.db2.gz YEPNBYHBXNWLLZ-NXEZZACHSA-N 2 2 225.336 0.385 20 0 BCADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C(=O)N(C)C ZINC000903471761 584775582 /nfs/dbraw/zinc/77/55/82/584775582.db2.gz MAAKYPSFADHCJV-ZJUUUORDSA-N 2 2 225.336 0.337 20 0 BCADLP c1ncn(CC[NH2+][C@H]2CC[NH2+]C23CCC3)n1 ZINC000903470883 584775634 /nfs/dbraw/zinc/77/56/34/584775634.db2.gz OYYRGRLVUATPMV-JTQLQIEISA-N 2 2 221.308 0.152 20 0 BCADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C(N)=O ZINC000903471978 584775848 /nfs/dbraw/zinc/77/58/48/584775848.db2.gz ODHXHIQKAAGFFC-DTWKUNHWSA-N 2 2 211.309 0.125 20 0 BCADLP CC(C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903464718 584779274 /nfs/dbraw/zinc/77/92/74/584779274.db2.gz AMURVBFGYWDSBK-WDEREUQCSA-N 2 2 239.363 0.774 20 0 BCADLP CCNC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903484877 584779392 /nfs/dbraw/zinc/77/93/92/584779392.db2.gz XKUFZWBCEDKQBC-SNVBAGLBSA-N 2 2 225.336 0.387 20 0 BCADLP [NH3+]CC[N@@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000903490890 584780847 /nfs/dbraw/zinc/78/08/47/584780847.db2.gz LMARZIJTPNYIGH-KGLIPLIRSA-N 2 2 232.327 0.845 20 0 BCADLP [NH3+]CC[N@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000903490890 584780848 /nfs/dbraw/zinc/78/08/48/584780848.db2.gz LMARZIJTPNYIGH-KGLIPLIRSA-N 2 2 232.327 0.845 20 0 BCADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000903528400 584781858 /nfs/dbraw/zinc/78/18/58/584781858.db2.gz KHEIWOFXKMCBBJ-NSHDSACASA-N 3 2 215.341 0.036 20 0 BCADLP C[NH2+]C[C@@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000903528400 584781859 /nfs/dbraw/zinc/78/18/59/584781859.db2.gz KHEIWOFXKMCBBJ-NSHDSACASA-N 3 2 215.341 0.036 20 0 BCADLP COC(=O)CC1(C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000903558039 584782721 /nfs/dbraw/zinc/78/27/21/584782721.db2.gz SQOBTPUDOOFGPX-JTQLQIEISA-N 2 2 240.347 0.999 20 0 BCADLP COC(=O)CC1(C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000903558039 584782722 /nfs/dbraw/zinc/78/27/22/584782722.db2.gz SQOBTPUDOOFGPX-JTQLQIEISA-N 2 2 240.347 0.999 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000903556661 584782849 /nfs/dbraw/zinc/78/28/49/584782849.db2.gz DEYPZFPWJWXWFG-JTQLQIEISA-N 2 2 227.352 0.524 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000903556661 584782851 /nfs/dbraw/zinc/78/28/51/584782851.db2.gz DEYPZFPWJWXWFG-JTQLQIEISA-N 2 2 227.352 0.524 20 0 BCADLP C[C@@H](CN1CCOCC1)[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000903558124 584782932 /nfs/dbraw/zinc/78/29/32/584782932.db2.gz VPHJNJHPSBBCFX-RYUDHWBXSA-N 2 2 241.379 0.376 20 0 BCADLP C[C@@H](CN1CCOCC1)[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000903558124 584782934 /nfs/dbraw/zinc/78/29/34/584782934.db2.gz VPHJNJHPSBBCFX-RYUDHWBXSA-N 2 2 241.379 0.376 20 0 BCADLP CC1(C)CN(Cc2cc[nH+]c(N)c2)C[C@H]1[NH3+] ZINC000903557283 584783139 /nfs/dbraw/zinc/78/31/39/584783139.db2.gz MRMAOCMDUUAKDN-SNVBAGLBSA-N 2 2 220.320 0.833 20 0 BCADLP CN1CCC[C@H]([N@@H+]2C[C@H]([NH3+])C(C)(C)C2)C1=O ZINC000903557832 584783221 /nfs/dbraw/zinc/78/32/21/584783221.db2.gz RYNJQPIQIJIPBX-UWVGGRQHSA-N 2 2 225.336 0.276 20 0 BCADLP CN1CCC[C@H]([N@H+]2C[C@H]([NH3+])C(C)(C)C2)C1=O ZINC000903557832 584783223 /nfs/dbraw/zinc/78/32/23/584783223.db2.gz RYNJQPIQIJIPBX-UWVGGRQHSA-N 2 2 225.336 0.276 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717041 584792341 /nfs/dbraw/zinc/79/23/41/584792341.db2.gz XSFJRORIOWECCT-UTUOFQBUSA-N 3 2 227.352 0.034 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717041 584792342 /nfs/dbraw/zinc/79/23/42/584792342.db2.gz XSFJRORIOWECCT-UTUOFQBUSA-N 3 2 227.352 0.034 20 0 BCADLP [NH3+][C@@H]1CCC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903713235 584793408 /nfs/dbraw/zinc/79/34/08/584793408.db2.gz JDJRVSMBLBLIFC-JHJVBQTASA-N 3 2 239.363 0.178 20 0 BCADLP [NH3+][C@@H]1CCC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903713235 584793409 /nfs/dbraw/zinc/79/34/09/584793409.db2.gz JDJRVSMBLBLIFC-JHJVBQTASA-N 3 2 239.363 0.178 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000903713702 584793859 /nfs/dbraw/zinc/79/38/59/584793859.db2.gz ZTLIHTJSNXFMGZ-SDDRHHMPSA-N 2 2 240.347 0.999 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000903713702 584793860 /nfs/dbraw/zinc/79/38/60/584793860.db2.gz ZTLIHTJSNXFMGZ-SDDRHHMPSA-N 2 2 240.347 0.999 20 0 BCADLP C(c1[nH]nc2c1COCC2)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903746101 584794004 /nfs/dbraw/zinc/79/40/04/584794004.db2.gz FLFPKQCYEIRWIF-AOOOYVTPSA-N 2 2 248.330 0.134 20 0 BCADLP C(c1[nH]nc2c1COCC2)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903746101 584794005 /nfs/dbraw/zinc/79/40/05/584794005.db2.gz FLFPKQCYEIRWIF-AOOOYVTPSA-N 2 2 248.330 0.134 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)CC[NH2+]C ZINC000903751671 584795333 /nfs/dbraw/zinc/79/53/33/584795333.db2.gz LMLXZUPXUKWPDY-VHSXEESVSA-N 2 2 214.309 0.337 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](C)CC[NH2+]C ZINC000903751671 584795334 /nfs/dbraw/zinc/79/53/34/584795334.db2.gz LMLXZUPXUKWPDY-VHSXEESVSA-N 2 2 214.309 0.337 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000903753578 584796277 /nfs/dbraw/zinc/79/62/77/584796277.db2.gz WLTDMPSFESEKMR-HTFCKZLJSA-N 2 2 226.320 0.212 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000903753578 584796278 /nfs/dbraw/zinc/79/62/78/584796278.db2.gz WLTDMPSFESEKMR-HTFCKZLJSA-N 2 2 226.320 0.212 20 0 BCADLP [NH3+]CC[N@H+](CCO)CCOC1CCSCC1 ZINC000903742959 584796660 /nfs/dbraw/zinc/79/66/60/584796660.db2.gz DIBBURDKNCPLQP-UHFFFAOYSA-N 2 2 248.392 0.152 20 0 BCADLP [NH3+]CC[N@@H+](CCO)CCOC1CCSCC1 ZINC000903742959 584796661 /nfs/dbraw/zinc/79/66/61/584796661.db2.gz DIBBURDKNCPLQP-UHFFFAOYSA-N 2 2 248.392 0.152 20 0 BCADLP C[N@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)CC(C)(C)[NH3+] ZINC000903766882 584796996 /nfs/dbraw/zinc/79/69/96/584796996.db2.gz CLTDXQSJLCSQDT-YPMHNXCESA-N 3 2 241.379 0.424 20 0 BCADLP C[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)CC(C)(C)[NH3+] ZINC000903766882 584796998 /nfs/dbraw/zinc/79/69/98/584796998.db2.gz CLTDXQSJLCSQDT-YPMHNXCESA-N 3 2 241.379 0.424 20 0 BCADLP C[NH2+]CCC[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903760346 584797393 /nfs/dbraw/zinc/79/73/93/584797393.db2.gz FQEOZGDYDJHBMC-LBPRGKRZSA-N 3 2 213.369 0.917 20 0 BCADLP C[NH2+]CCC[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903760346 584797394 /nfs/dbraw/zinc/79/73/94/584797394.db2.gz FQEOZGDYDJHBMC-LBPRGKRZSA-N 3 2 213.369 0.917 20 0 BCADLP CC[N@H+](CC[NH3+])C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903769367 584798131 /nfs/dbraw/zinc/79/81/31/584798131.db2.gz DWTMHHQVPLYVDS-RYUDHWBXSA-N 3 2 227.352 0.036 20 0 BCADLP CC[N@@H+](CC[NH3+])C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903769367 584798132 /nfs/dbraw/zinc/79/81/32/584798132.db2.gz DWTMHHQVPLYVDS-RYUDHWBXSA-N 3 2 227.352 0.036 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903774921 584799089 /nfs/dbraw/zinc/79/90/89/584799089.db2.gz CECRWCRRDDOCIC-NWDGAFQWSA-N 3 2 241.379 0.424 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903774921 584799090 /nfs/dbraw/zinc/79/90/90/584799090.db2.gz CECRWCRRDDOCIC-NWDGAFQWSA-N 3 2 241.379 0.424 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903784279 584800088 /nfs/dbraw/zinc/80/00/88/584800088.db2.gz MZMXWSCWHKSEAN-AGIUHOORSA-N 3 2 239.363 0.178 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903784279 584800089 /nfs/dbraw/zinc/80/00/89/584800089.db2.gz MZMXWSCWHKSEAN-AGIUHOORSA-N 3 2 239.363 0.178 20 0 BCADLP C1=CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)[NH2+]C1 ZINC000903783842 584800095 /nfs/dbraw/zinc/80/00/95/584800095.db2.gz FHZTUFHJOZSSOM-VXGBXAGGSA-N 2 2 223.320 0.131 20 0 BCADLP [NH3+]CCOCC[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903799992 584801312 /nfs/dbraw/zinc/80/13/12/584801312.db2.gz FUBCXGPVODSZNC-NWDGAFQWSA-N 3 2 227.352 0.165 20 0 BCADLP [NH3+]CCOCC[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903799992 584801314 /nfs/dbraw/zinc/80/13/14/584801314.db2.gz FUBCXGPVODSZNC-NWDGAFQWSA-N 3 2 227.352 0.165 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903799233 584801482 /nfs/dbraw/zinc/80/14/82/584801482.db2.gz CNFOCWPNAJZVSC-ZYHUDNBSSA-N 2 2 225.336 0.278 20 0 BCADLP CN(C)C(=O)C[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903799233 584801484 /nfs/dbraw/zinc/80/14/84/584801484.db2.gz CNFOCWPNAJZVSC-ZYHUDNBSSA-N 2 2 225.336 0.278 20 0 BCADLP OCC[C@@H]1COCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903830014 584805495 /nfs/dbraw/zinc/80/54/95/584805495.db2.gz QLZDVLNQFYRIFV-QWHCGFSZSA-N 2 2 242.363 0.459 20 0 BCADLP OCC[C@@H]1COCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903830014 584805496 /nfs/dbraw/zinc/80/54/96/584805496.db2.gz QLZDVLNQFYRIFV-QWHCGFSZSA-N 2 2 242.363 0.459 20 0 BCADLP C[C@H]1CCOCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000903830936 584805793 /nfs/dbraw/zinc/80/57/93/584805793.db2.gz BQNLJHUBFUEYHJ-WDEREUQCSA-N 2 2 214.309 0.086 20 0 BCADLP C[C@H]1CCOCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000903830936 584805794 /nfs/dbraw/zinc/80/57/94/584805794.db2.gz BQNLJHUBFUEYHJ-WDEREUQCSA-N 2 2 214.309 0.086 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000903840976 584806971 /nfs/dbraw/zinc/80/69/71/584806971.db2.gz VMWBYSCCYAVUKF-YTWAJWBKSA-N 2 2 216.300 0.247 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000903840976 584806972 /nfs/dbraw/zinc/80/69/72/584806972.db2.gz VMWBYSCCYAVUKF-YTWAJWBKSA-N 2 2 216.300 0.247 20 0 BCADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2Cc1ccno1 ZINC000903853207 584808055 /nfs/dbraw/zinc/80/80/55/584808055.db2.gz DFSPUKBAYCGMRS-KOLCDFICSA-N 2 2 207.277 0.988 20 0 BCADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2Cc1ccno1 ZINC000903853207 584808056 /nfs/dbraw/zinc/80/80/56/584808056.db2.gz DFSPUKBAYCGMRS-KOLCDFICSA-N 2 2 207.277 0.988 20 0 BCADLP COC(=O)CCC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903857320 584810187 /nfs/dbraw/zinc/81/01/87/584810187.db2.gz DFADYPAQBHCNMJ-PWSUYJOCSA-N 2 2 226.320 0.753 20 0 BCADLP COC(=O)CCC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903857320 584810188 /nfs/dbraw/zinc/81/01/88/584810188.db2.gz DFADYPAQBHCNMJ-PWSUYJOCSA-N 2 2 226.320 0.753 20 0 BCADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCN1CCOCC1 ZINC000903858510 584810571 /nfs/dbraw/zinc/81/05/71/584810571.db2.gz YOUDWEQCBIAECV-OLZOCXBDSA-N 2 2 239.363 0.132 20 0 BCADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCN1CCOCC1 ZINC000903858510 584810573 /nfs/dbraw/zinc/81/05/73/584810573.db2.gz YOUDWEQCBIAECV-OLZOCXBDSA-N 2 2 239.363 0.132 20 0 BCADLP [NH3+]C[C@@]12CC[C@@H]1CCN2CC[NH+]1CCOCC1 ZINC000903858510 584810574 /nfs/dbraw/zinc/81/05/74/584810574.db2.gz YOUDWEQCBIAECV-OLZOCXBDSA-N 2 2 239.363 0.132 20 0 BCADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CC(=O)N1CCCC1 ZINC000903859238 584810983 /nfs/dbraw/zinc/81/09/83/584810983.db2.gz LSCXOELHGXBOBL-YPMHNXCESA-N 2 2 237.347 0.422 20 0 BCADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CC(=O)N1CCCC1 ZINC000903859238 584810984 /nfs/dbraw/zinc/81/09/84/584810984.db2.gz LSCXOELHGXBOBL-YPMHNXCESA-N 2 2 237.347 0.422 20 0 BCADLP Nc1cc(C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])ccn1 ZINC000903859836 584811030 /nfs/dbraw/zinc/81/10/30/584811030.db2.gz OZKFREIELGXOKQ-AAEUAGOBSA-N 2 2 232.331 0.977 20 0 BCADLP Nc1cc(C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])ccn1 ZINC000903859836 584811031 /nfs/dbraw/zinc/81/10/31/584811031.db2.gz OZKFREIELGXOKQ-AAEUAGOBSA-N 2 2 232.331 0.977 20 0 BCADLP C(C[N@@H+]1CCC[C@]12CC[NH2+]C2)O[C@@H]1CCOC1 ZINC000903869124 584813586 /nfs/dbraw/zinc/81/35/86/584813586.db2.gz BOZVWYAAOHJFEH-CHWSQXEVSA-N 2 2 240.347 0.620 20 0 BCADLP C(C[N@H+]1CCC[C@]12CC[NH2+]C2)O[C@@H]1CCOC1 ZINC000903869124 584813588 /nfs/dbraw/zinc/81/35/88/584813588.db2.gz BOZVWYAAOHJFEH-CHWSQXEVSA-N 2 2 240.347 0.620 20 0 BCADLP NC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903888609 584813605 /nfs/dbraw/zinc/81/36/05/584813605.db2.gz HCXXBTRBFNHQNH-IUCAKERBSA-N 2 2 249.305 0.699 20 0 BCADLP NC(=O)C[C@@H]1CCCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903888609 584813606 /nfs/dbraw/zinc/81/36/06/584813606.db2.gz HCXXBTRBFNHQNH-IUCAKERBSA-N 2 2 249.305 0.699 20 0 BCADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@@H](O)C1 ZINC000903873164 584815116 /nfs/dbraw/zinc/81/51/16/584815116.db2.gz LOELXGDKDOMFAG-JGVFFNPUSA-N 2 2 208.252 0.426 20 0 BCADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@@H](O)C1 ZINC000903873164 584815118 /nfs/dbraw/zinc/81/51/18/584815118.db2.gz LOELXGDKDOMFAG-JGVFFNPUSA-N 2 2 208.252 0.426 20 0 BCADLP c1n[nH]cc1CC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903872453 584815450 /nfs/dbraw/zinc/81/54/50/584815450.db2.gz ZYRAURUPRRUYRN-GFCCVEGCSA-N 2 2 220.320 0.780 20 0 BCADLP c1n[nH]cc1CC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903872453 584815452 /nfs/dbraw/zinc/81/54/52/584815452.db2.gz ZYRAURUPRRUYRN-GFCCVEGCSA-N 2 2 220.320 0.780 20 0 BCADLP NC(=O)[C@H]1CCC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903874065 584815862 /nfs/dbraw/zinc/81/58/62/584815862.db2.gz RMTOSFSLNRSPTL-JGVFFNPUSA-N 2 2 235.278 0.166 20 0 BCADLP NC(=O)[C@H]1CCC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903874065 584815863 /nfs/dbraw/zinc/81/58/63/584815863.db2.gz RMTOSFSLNRSPTL-JGVFFNPUSA-N 2 2 235.278 0.166 20 0 BCADLP [NH3+]CC1CC[NH+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000903873949 584816176 /nfs/dbraw/zinc/81/61/76/584816176.db2.gz OPNLZYYQWJLMRE-SECBINFHSA-N 3 2 221.295 0.640 20 0 BCADLP NC(=O)[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903874066 584816196 /nfs/dbraw/zinc/81/61/96/584816196.db2.gz RMTOSFSLNRSPTL-SFYZADRCSA-N 2 2 235.278 0.166 20 0 BCADLP NC(=O)[C@@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903874066 584816197 /nfs/dbraw/zinc/81/61/97/584816197.db2.gz RMTOSFSLNRSPTL-SFYZADRCSA-N 2 2 235.278 0.166 20 0 BCADLP CC[C@H]1C(=O)NCCC[N@H+]1CCC[NH2+]C1CC1 ZINC000903882626 584818226 /nfs/dbraw/zinc/81/82/26/584818226.db2.gz OWRBNMWTFHYDEM-LBPRGKRZSA-N 2 2 239.363 0.729 20 0 BCADLP CC[C@H]1C(=O)NCCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000903882626 584818227 /nfs/dbraw/zinc/81/82/27/584818227.db2.gz OWRBNMWTFHYDEM-LBPRGKRZSA-N 2 2 239.363 0.729 20 0 BCADLP C[N@H+](C[C@@H]([NH3+])CC(F)F)C1CC(O)C1 ZINC000903912527 584822593 /nfs/dbraw/zinc/82/25/93/584822593.db2.gz GJWDDZOBSYECRP-KKMMWDRVSA-N 2 2 208.252 0.424 20 0 BCADLP C[N@@H+](C[C@@H]([NH3+])CC(F)F)C1CC(O)C1 ZINC000903912527 584822594 /nfs/dbraw/zinc/82/25/94/584822594.db2.gz GJWDDZOBSYECRP-KKMMWDRVSA-N 2 2 208.252 0.424 20 0 BCADLP COCC[NH2+]CC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918767 584822996 /nfs/dbraw/zinc/82/29/96/584822996.db2.gz HJIZKCKWRKWUBZ-YHWZYXNKSA-N 3 2 241.379 0.343 20 0 BCADLP C[C@]1(C[NH2+]C[C@H]([NH3+])CC(F)F)CCC[NH2+]C1 ZINC000903921005 584823379 /nfs/dbraw/zinc/82/33/79/584823379.db2.gz ZLKKEOHGCZSGBK-KOLCDFICSA-N 3 2 235.322 0.948 20 0 BCADLP [NH3+][C@@H](C[NH2+][C@@H]1CCCC[C@H]1[NH3+])CC(F)F ZINC000903929995 584824088 /nfs/dbraw/zinc/82/40/88/584824088.db2.gz PRFABNVIJJEVBA-IWSPIJDZSA-N 3 2 221.295 0.828 20 0 BCADLP Cn1nccc1C[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903922877 584823983 /nfs/dbraw/zinc/82/39/83/584823983.db2.gz GKWUPHJVDQTDTE-ZETCQYMHSA-N 2 2 218.251 0.492 20 0 BCADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@@H]1CCO ZINC000903929640 584824471 /nfs/dbraw/zinc/82/44/71/584824471.db2.gz IIOXIJOQCILLRP-RKDXNWHRSA-N 2 2 222.279 0.816 20 0 BCADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@@H]1CCO ZINC000903929640 584824473 /nfs/dbraw/zinc/82/44/73/584824473.db2.gz IIOXIJOQCILLRP-RKDXNWHRSA-N 2 2 222.279 0.816 20 0 BCADLP COC[C@H]([NH2+][C@H]1CC[NH2+]C1)[C@@H]1CCCOC1 ZINC000903960164 584827488 /nfs/dbraw/zinc/82/74/88/584827488.db2.gz YCSQZSOBIWRRGP-WOPDTQHZSA-N 2 2 228.336 0.380 20 0 BCADLP Cn1nncc1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959568 584827535 /nfs/dbraw/zinc/82/75/35/584827535.db2.gz JWAJSOCRKOKDJR-ZDUSSCGKSA-N 2 2 249.362 0.781 20 0 BCADLP Cn1nncc1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959568 584827536 /nfs/dbraw/zinc/82/75/36/584827536.db2.gz JWAJSOCRKOKDJR-ZDUSSCGKSA-N 2 2 249.362 0.781 20 0 BCADLP C[C@@]1(C[N@@H+]2CCCn3nncc3C2)CC[NH2+]C1 ZINC000903949429 584830110 /nfs/dbraw/zinc/83/01/10/584830110.db2.gz ASWYIQNRHBZXQP-GFCCVEGCSA-N 2 2 235.335 0.483 20 0 BCADLP C[C@@]1(C[N@H+]2CCCn3nncc3C2)CC[NH2+]C1 ZINC000903949429 584830111 /nfs/dbraw/zinc/83/01/11/584830111.db2.gz ASWYIQNRHBZXQP-GFCCVEGCSA-N 2 2 235.335 0.483 20 0 BCADLP Cc1n[nH]cc1C[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903949466 584830430 /nfs/dbraw/zinc/83/04/30/584830430.db2.gz BBABNLRAWPNLRR-UHFFFAOYSA-N 2 2 217.276 0.985 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903967075 584835014 /nfs/dbraw/zinc/83/50/14/584835014.db2.gz GMISSKRWMKWFSM-VGMNWLOBSA-N 3 2 221.295 0.414 20 0 BCADLP C[C@@]1(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)CC[NH2+]C1 ZINC000903956109 584831827 /nfs/dbraw/zinc/83/18/27/584831827.db2.gz GZSHFWDQWBBXHW-WDEREUQCSA-N 3 2 247.333 0.820 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000904299342 584860149 /nfs/dbraw/zinc/86/01/49/584860149.db2.gz BMOPUGSCLMTAHO-SNVBAGLBSA-N 3 2 207.321 0.924 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000904299342 584860150 /nfs/dbraw/zinc/86/01/50/584860150.db2.gz BMOPUGSCLMTAHO-SNVBAGLBSA-N 3 2 207.321 0.924 20 0 BCADLP CCNC(=O)C[N@H+](CC)C[C@@]1(C)CCC[NH2+]C1 ZINC000904304005 584862088 /nfs/dbraw/zinc/86/20/88/584862088.db2.gz ORTOTJSLQPVWKK-ZDUSSCGKSA-N 2 2 241.379 0.834 20 0 BCADLP CCNC(=O)C[N@@H+](CC)C[C@@]1(C)CCC[NH2+]C1 ZINC000904304005 584862089 /nfs/dbraw/zinc/86/20/89/584862089.db2.gz ORTOTJSLQPVWKK-ZDUSSCGKSA-N 2 2 241.379 0.834 20 0 BCADLP CCNC(=O)C[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904311481 584862825 /nfs/dbraw/zinc/86/28/25/584862825.db2.gz CNUACQSQEXGFOI-GFCCVEGCSA-N 2 2 227.352 0.444 20 0 BCADLP CCNC(=O)C[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904311481 584862826 /nfs/dbraw/zinc/86/28/26/584862826.db2.gz CNUACQSQEXGFOI-GFCCVEGCSA-N 2 2 227.352 0.444 20 0 BCADLP Nc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC000904334273 584866358 /nfs/dbraw/zinc/86/63/58/584866358.db2.gz QUXMFSOAHFCIRL-ZDUSSCGKSA-N 2 2 247.346 0.634 20 0 BCADLP Nc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC000904334273 584866359 /nfs/dbraw/zinc/86/63/59/584866359.db2.gz QUXMFSOAHFCIRL-ZDUSSCGKSA-N 2 2 247.346 0.634 20 0 BCADLP C[C@@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)C[C@@H](CO)O1 ZINC000904345497 584868382 /nfs/dbraw/zinc/86/83/82/584868382.db2.gz FWOLLEDNKZEFEC-FRRDWIJNSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)C[C@@H](CO)O1 ZINC000904345497 584868383 /nfs/dbraw/zinc/86/83/83/584868383.db2.gz FWOLLEDNKZEFEC-FRRDWIJNSA-N 2 2 242.363 0.458 20 0 BCADLP c1cn(C2CC2)c(CN[C@H]2CC[NH2+]C2)[nH+]1 ZINC000904353204 584869975 /nfs/dbraw/zinc/86/99/75/584869975.db2.gz IKERSMJIVSYARL-VIFPVBQESA-N 2 2 206.293 0.670 20 0 BCADLP CC[NH2+][C@H](C)C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904356710 584871265 /nfs/dbraw/zinc/87/12/65/584871265.db2.gz YHYOJVJVTAZZJI-NEPJUHHUSA-N 3 2 213.369 0.964 20 0 BCADLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(N)nn1 ZINC000904356276 584871439 /nfs/dbraw/zinc/87/14/39/584871439.db2.gz UZTGNIMOGOFCNQ-PSASIEDQSA-N 2 2 221.308 0.146 20 0 BCADLP Nc1ccc(C[NH2+]CCCn2cc[nH+]c2)nn1 ZINC000904367611 584872541 /nfs/dbraw/zinc/87/25/41/584872541.db2.gz GDJFEZQFSOXXPI-UHFFFAOYSA-N 2 2 232.291 0.435 20 0 BCADLP CC(C)(C)CCN1CC[NH2+]CC[NH2+]CC1 ZINC000904396296 584875340 /nfs/dbraw/zinc/87/53/40/584875340.db2.gz FSZHCHMFESWXDI-UHFFFAOYSA-N 2 2 213.369 0.917 20 0 BCADLP [NH3+]CC[C@@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000904407104 584878203 /nfs/dbraw/zinc/87/82/03/584878203.db2.gz NINXIFABNRYCJC-VOMCLLRMSA-N 3 2 209.337 0.409 20 0 BCADLP [NH3+]CC[C@@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000904407104 584878204 /nfs/dbraw/zinc/87/82/04/584878204.db2.gz NINXIFABNRYCJC-VOMCLLRMSA-N 3 2 209.337 0.409 20 0 BCADLP C[C@H]1C[N@H+](Cc2csnn2)CC[C@@H]1C[NH3+] ZINC000904411958 584879780 /nfs/dbraw/zinc/87/97/80/584879780.db2.gz QTFROLBQQULGMI-DTWKUNHWSA-N 2 2 226.349 0.955 20 0 BCADLP C[C@H]1C[N@@H+](Cc2csnn2)CC[C@@H]1C[NH3+] ZINC000904411958 584879781 /nfs/dbraw/zinc/87/97/81/584879781.db2.gz QTFROLBQQULGMI-DTWKUNHWSA-N 2 2 226.349 0.955 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000904419172 584881943 /nfs/dbraw/zinc/88/19/43/584881943.db2.gz PETUAZBACAMHBF-IJLUTSLNSA-N 3 2 213.369 0.886 20 0 BCADLP Cc1cc(NC(=O)N[C@H]2C[C@H](C[NH3+])C2)cc[nH+]1 ZINC000904397920 584880425 /nfs/dbraw/zinc/88/04/25/584880425.db2.gz KWWRNWQDNSQTHD-HOMQSWHASA-N 2 2 234.303 0.671 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000904419172 584881944 /nfs/dbraw/zinc/88/19/44/584881944.db2.gz PETUAZBACAMHBF-IJLUTSLNSA-N 3 2 213.369 0.886 20 0 BCADLP Cn1ncc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000842474282 584897843 /nfs/dbraw/zinc/89/78/43/584897843.db2.gz MDKSRCBFHMVAKO-DGCLKSJQSA-N 2 2 249.362 0.779 20 0 BCADLP Cn1ncc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000842474282 584897845 /nfs/dbraw/zinc/89/78/45/584897845.db2.gz MDKSRCBFHMVAKO-DGCLKSJQSA-N 2 2 249.362 0.779 20 0 BCADLP C[NH+](C)C1CC[NH+](CCN2CCOC2=O)CC1 ZINC000731104109 584922429 /nfs/dbraw/zinc/92/24/29/584922429.db2.gz BKPTYZBSEWQABV-UHFFFAOYSA-N 2 2 241.335 0.465 20 0 BCADLP C[C@@H](CCn1cccn1)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000134632425 584953788 /nfs/dbraw/zinc/95/37/88/584953788.db2.gz MKRHMBPOUVZHLN-NWDGAFQWSA-N 2 2 222.336 0.955 20 0 BCADLP C[C@@H](CCn1cccn1)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000134632425 584953789 /nfs/dbraw/zinc/95/37/89/584953789.db2.gz MKRHMBPOUVZHLN-NWDGAFQWSA-N 2 2 222.336 0.955 20 0 BCADLP O=C1OCC[C@@H]1[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000745983851 585162242 /nfs/dbraw/zinc/16/22/42/585162242.db2.gz BKCMHHIAFCZPJL-JTQLQIEISA-N 2 2 235.287 0.905 20 0 BCADLP [NH3+][C@@H]1CCN(Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000843044379 585330491 /nfs/dbraw/zinc/33/04/91/585330491.db2.gz ABOQJQRADCPVSV-GFCCVEGCSA-N 2 2 243.314 0.800 20 0 BCADLP C[C@@H]1CN(Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC000761077905 585405914 /nfs/dbraw/zinc/40/59/14/585405914.db2.gz VGRHATLDYABZAQ-SNVBAGLBSA-N 2 2 208.309 0.556 20 0 BCADLP C[C@@H]1CN(Cc2c[nH+]cn2C)CC[N@H+]1C ZINC000761077905 585405915 /nfs/dbraw/zinc/40/59/15/585405915.db2.gz VGRHATLDYABZAQ-SNVBAGLBSA-N 2 2 208.309 0.556 20 0 BCADLP C[NH+](C)C1(C(=O)N2CC(n3cc[nH+]c3)C2)CCC1 ZINC000763047461 585442348 /nfs/dbraw/zinc/44/23/48/585442348.db2.gz JHRCBFBBSLOFDN-UHFFFAOYSA-N 2 2 248.330 0.751 20 0 BCADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000765767786 585492205 /nfs/dbraw/zinc/49/22/05/585492205.db2.gz HMJLOIZEQRKMER-RYUDHWBXSA-N 2 2 241.379 0.927 20 0 BCADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000765767786 585492206 /nfs/dbraw/zinc/49/22/06/585492206.db2.gz HMJLOIZEQRKMER-RYUDHWBXSA-N 2 2 241.379 0.927 20 0 BCADLP C[C@@H]1CN(CCn2cc[nH+]c2)CC[N@@H+]1C ZINC000766249781 585499955 /nfs/dbraw/zinc/49/99/55/585499955.db2.gz QHXILOYPJBZTMO-LLVKDONJSA-N 2 2 208.309 0.519 20 0 BCADLP C[C@@H]1CN(CCn2cc[nH+]c2)CC[N@H+]1C ZINC000766249781 585499956 /nfs/dbraw/zinc/49/99/56/585499956.db2.gz QHXILOYPJBZTMO-LLVKDONJSA-N 2 2 208.309 0.519 20 0 BCADLP CCNC(=O)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000769684403 585561735 /nfs/dbraw/zinc/56/17/35/585561735.db2.gz FYHFGFYDTZORBP-UHFFFAOYSA-N 2 2 232.287 0.560 20 0 BCADLP COCCOC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000773029714 585629642 /nfs/dbraw/zinc/62/96/42/585629642.db2.gz ZTRSMAURGYMJRZ-RYUDHWBXSA-N 2 2 242.363 0.864 20 0 BCADLP COCCOC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000773029714 585629643 /nfs/dbraw/zinc/62/96/43/585629643.db2.gz ZTRSMAURGYMJRZ-RYUDHWBXSA-N 2 2 242.363 0.864 20 0 BCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(C=O)CC1 ZINC000774118793 585650783 /nfs/dbraw/zinc/65/07/83/585650783.db2.gz NJVFSWPKEXAHGV-CYBMUJFWSA-N 2 2 239.363 0.681 20 0 BCADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(C=O)CC1 ZINC000774118793 585650784 /nfs/dbraw/zinc/65/07/84/585650784.db2.gz NJVFSWPKEXAHGV-CYBMUJFWSA-N 2 2 239.363 0.681 20 0 BCADLP NC(=O)C1([NH2+]CCCn2cc[nH+]c2)CCCC1 ZINC000775988952 585688999 /nfs/dbraw/zinc/68/89/99/585688999.db2.gz QEFDWDUVOUZMJK-UHFFFAOYSA-N 2 2 236.319 0.661 20 0 BCADLP c1cn([C@H]2CCC[N@@H+](Cn3cnnc3)C2)c[nH+]1 ZINC000776759317 585704213 /nfs/dbraw/zinc/70/42/13/585704213.db2.gz LIGYHASDBDKMIK-NSHDSACASA-N 2 2 232.291 0.769 20 0 BCADLP c1cn([C@H]2CCC[N@H+](Cn3cnnc3)C2)c[nH+]1 ZINC000776759317 585704214 /nfs/dbraw/zinc/70/42/14/585704214.db2.gz LIGYHASDBDKMIK-NSHDSACASA-N 2 2 232.291 0.769 20 0 BCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cn2cnnc2)C1 ZINC000776760093 585704805 /nfs/dbraw/zinc/70/48/05/585704805.db2.gz JPLKTACTXIMJMM-LBPRGKRZSA-N 2 2 237.351 0.899 20 0 BCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cn2cnnc2)C1 ZINC000776760093 585704806 /nfs/dbraw/zinc/70/48/06/585704806.db2.gz JPLKTACTXIMJMM-LBPRGKRZSA-N 2 2 237.351 0.899 20 0 BCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cn2cnnc2)C1 ZINC000776760093 585704807 /nfs/dbraw/zinc/70/48/07/585704807.db2.gz JPLKTACTXIMJMM-LBPRGKRZSA-N 2 2 237.351 0.899 20 0 BCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cn2cnnc2)C1 ZINC000776760093 585704808 /nfs/dbraw/zinc/70/48/08/585704808.db2.gz JPLKTACTXIMJMM-LBPRGKRZSA-N 2 2 237.351 0.899 20 0 BCADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCO ZINC000779338158 585751498 /nfs/dbraw/zinc/75/14/98/585751498.db2.gz NPNCIOGAISQVOP-MNOVXSKESA-N 2 2 200.326 0.831 20 0 BCADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCO ZINC000779338158 585751499 /nfs/dbraw/zinc/75/14/99/585751499.db2.gz NPNCIOGAISQVOP-MNOVXSKESA-N 2 2 200.326 0.831 20 0 BCADLP COC1CC[NH+](CC[NH2+][C@@H](C)CCO)CC1 ZINC000779401097 585753248 /nfs/dbraw/zinc/75/32/48/585753248.db2.gz YBUQSUNOYCPIMW-NSHDSACASA-N 2 2 230.352 0.458 20 0 BCADLP CC[N@H+](CC[NH2+][C@@H](C)CCO)C1CC1 ZINC000779401287 585753291 /nfs/dbraw/zinc/75/32/91/585753291.db2.gz SQJOWDVWWZHUAY-JTQLQIEISA-N 2 2 200.326 0.831 20 0 BCADLP CC[N@@H+](CC[NH2+][C@@H](C)CCO)C1CC1 ZINC000779401287 585753292 /nfs/dbraw/zinc/75/32/92/585753292.db2.gz SQJOWDVWWZHUAY-JTQLQIEISA-N 2 2 200.326 0.831 20 0 BCADLP C[C@H](C[NH2+][C@@H](C)CCO)[N@H+](C)C1CC1 ZINC000779406330 585753746 /nfs/dbraw/zinc/75/37/46/585753746.db2.gz WFHDRUBMVSCHOL-VHSXEESVSA-N 2 2 200.326 0.830 20 0 BCADLP C[C@H](C[NH2+][C@@H](C)CCO)[N@@H+](C)C1CC1 ZINC000779406330 585753747 /nfs/dbraw/zinc/75/37/47/585753747.db2.gz WFHDRUBMVSCHOL-VHSXEESVSA-N 2 2 200.326 0.830 20 0 BCADLP C[C@H](CCO)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000779406034 585753751 /nfs/dbraw/zinc/75/37/51/585753751.db2.gz SUSMHUJROMUDEB-PWSUYJOCSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@H](CCO)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000779406034 585753752 /nfs/dbraw/zinc/75/37/52/585753752.db2.gz SUSMHUJROMUDEB-PWSUYJOCSA-N 2 2 212.337 0.831 20 0 BCADLP Cc1nc2n(n1)C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)CC2 ZINC000796448958 586103437 /nfs/dbraw/zinc/10/34/37/586103437.db2.gz JIBAAQVMXNSSHM-VIFPVBQESA-N 2 2 232.291 0.414 20 0 BCADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC000815122784 586667972 /nfs/dbraw/zinc/66/79/72/586667972.db2.gz RMZWCAYZNKSQHP-LLVKDONJSA-N 2 2 237.351 0.637 20 0 BCADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC000815122784 586667973 /nfs/dbraw/zinc/66/79/73/586667973.db2.gz RMZWCAYZNKSQHP-LLVKDONJSA-N 2 2 237.351 0.637 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCc1cnn(C)n1 ZINC000815144680 586669539 /nfs/dbraw/zinc/66/95/39/586669539.db2.gz HVRFRTQXBANEKL-JQWIXIFHSA-N 2 2 237.351 0.287 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCc1cnn(C)n1 ZINC000815144680 586669541 /nfs/dbraw/zinc/66/95/41/586669541.db2.gz HVRFRTQXBANEKL-JQWIXIFHSA-N 2 2 237.351 0.287 20 0 BCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000816833733 586766958 /nfs/dbraw/zinc/76/69/58/586766958.db2.gz SBWASKBIIWAQLN-SNVBAGLBSA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000816833733 586766960 /nfs/dbraw/zinc/76/69/60/586766960.db2.gz SBWASKBIIWAQLN-SNVBAGLBSA-N 2 2 236.319 0.553 20 0 BCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000816915537 586771292 /nfs/dbraw/zinc/77/12/92/586771292.db2.gz CHXSKMRVWUPIKD-SNVBAGLBSA-N 2 2 238.335 0.799 20 0 BCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000816915537 586771294 /nfs/dbraw/zinc/77/12/94/586771294.db2.gz CHXSKMRVWUPIKD-SNVBAGLBSA-N 2 2 238.335 0.799 20 0 BCADLP CCc1cc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])[nH]n1 ZINC000817891764 586833274 /nfs/dbraw/zinc/83/32/74/586833274.db2.gz GSPQPOIDMZDXBP-QWRGUYRKSA-N 2 2 208.309 0.942 20 0 BCADLP CCn1nc(C)c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000818615931 586907492 /nfs/dbraw/zinc/90/74/92/586907492.db2.gz RRLQCFMOYWEMMC-BDAKNGLRSA-N 2 2 225.340 0.822 20 0 BCADLP O[C@@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000819244485 586942316 /nfs/dbraw/zinc/94/23/16/586942316.db2.gz KRELFYNLRMTPMP-MNOVXSKESA-N 2 2 221.304 0.558 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2cccnc2)C1 ZINC000819367504 586957536 /nfs/dbraw/zinc/95/75/36/586957536.db2.gz HYXXCURHMKGZOX-CHWSQXEVSA-N 2 2 235.331 0.799 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2cccnc2)C1 ZINC000819367504 586957539 /nfs/dbraw/zinc/95/75/39/586957539.db2.gz HYXXCURHMKGZOX-CHWSQXEVSA-N 2 2 235.331 0.799 20 0 BCADLP CC(C)[N@H+](C)CC(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819767364 586991864 /nfs/dbraw/zinc/99/18/64/586991864.db2.gz SOTDMBBOTODGDC-MRVPVSSYSA-N 2 2 229.349 0.934 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819767364 586991866 /nfs/dbraw/zinc/99/18/66/586991866.db2.gz SOTDMBBOTODGDC-MRVPVSSYSA-N 2 2 229.349 0.934 20 0 BCADLP O=C(C[NH+]1CCCC1)N1CC(n2cc[nH+]c2)C1 ZINC000820003586 587011982 /nfs/dbraw/zinc/01/19/82/587011982.db2.gz WVMDEQOHWZYKBG-UHFFFAOYSA-N 2 2 234.303 0.362 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C[NH+]1CCCC1 ZINC000820510789 587052018 /nfs/dbraw/zinc/05/20/18/587052018.db2.gz RCLFGNGXDSKXIR-UHFFFAOYSA-N 2 2 222.292 0.430 20 0 BCADLP C[N@@H+]1CC[C@@H](CC(=O)Nc2cc[nH+]cc2O)C1 ZINC000821378743 587114130 /nfs/dbraw/zinc/11/41/30/587114130.db2.gz RKKLMOMUVUQZTJ-VIFPVBQESA-N 2 2 235.287 0.489 20 0 BCADLP C[N@H+]1CC[C@@H](CC(=O)Nc2cc[nH+]cc2O)C1 ZINC000821378743 587114132 /nfs/dbraw/zinc/11/41/32/587114132.db2.gz RKKLMOMUVUQZTJ-VIFPVBQESA-N 2 2 235.287 0.489 20 0 BCADLP C[NH+](C)[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000822793678 587186195 /nfs/dbraw/zinc/18/61/95/587186195.db2.gz FCFJGCHCYSLOAE-JTQLQIEISA-N 2 2 236.319 0.409 20 0 BCADLP [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000826704999 587359386 /nfs/dbraw/zinc/35/93/86/587359386.db2.gz UUOAUEXYZPJECM-VHSXEESVSA-N 2 2 243.270 0.553 20 0 BCADLP CC[C@@H]1[C@@H](C(=O)Nc2cc[nH+]cc2O)CC[N@@H+]1C ZINC000867042591 587360425 /nfs/dbraw/zinc/36/04/25/587360425.db2.gz LYEVPISLIGKNND-GXSJLCMTSA-N 2 2 249.314 0.878 20 0 BCADLP CC[C@@H]1[C@@H](C(=O)Nc2cc[nH+]cc2O)CC[N@H+]1C ZINC000867042591 587360426 /nfs/dbraw/zinc/36/04/26/587360426.db2.gz LYEVPISLIGKNND-GXSJLCMTSA-N 2 2 249.314 0.878 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000826866809 587364417 /nfs/dbraw/zinc/36/44/17/587364417.db2.gz DZWOAYVZGDLTRC-LLVKDONJSA-N 2 2 248.330 0.553 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000826866809 587364418 /nfs/dbraw/zinc/36/44/18/587364418.db2.gz DZWOAYVZGDLTRC-LLVKDONJSA-N 2 2 248.330 0.553 20 0 BCADLP C[N@@H+]1CCC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000826878496 587364696 /nfs/dbraw/zinc/36/46/96/587364696.db2.gz ZJKSHJDTFASJSZ-SNVBAGLBSA-N 2 2 236.319 0.410 20 0 BCADLP C[N@H+]1CCC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000826878496 587364697 /nfs/dbraw/zinc/36/46/97/587364697.db2.gz ZJKSHJDTFASJSZ-SNVBAGLBSA-N 2 2 236.319 0.410 20 0 BCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)Cn1cc[nH+]c1 ZINC000828402813 587440215 /nfs/dbraw/zinc/44/02/15/587440215.db2.gz GDNOOYGOZLPWDI-JTQLQIEISA-N 2 2 247.302 0.601 20 0 BCADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC[S@@](C)=O)C2)C1 ZINC000828575723 587451266 /nfs/dbraw/zinc/45/12/66/587451266.db2.gz OTXLZRUMFBUCNQ-BLLLJJGKSA-N 2 2 244.404 0.783 20 0 BCADLP C[N@H+]1CCC[C@]2(CC[NH+](CC[S@@](C)=O)C2)C1 ZINC000828575723 587451267 /nfs/dbraw/zinc/45/12/67/587451267.db2.gz OTXLZRUMFBUCNQ-BLLLJJGKSA-N 2 2 244.404 0.783 20 0 BCADLP C[NH+]1CCC[C@]2(CC[N@H+](CC[S@@](C)=O)C2)C1 ZINC000828575723 587451269 /nfs/dbraw/zinc/45/12/69/587451269.db2.gz OTXLZRUMFBUCNQ-BLLLJJGKSA-N 2 2 244.404 0.783 20 0 BCADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC[S@@](C)=O)C2)C1 ZINC000828575723 587451270 /nfs/dbraw/zinc/45/12/70/587451270.db2.gz OTXLZRUMFBUCNQ-BLLLJJGKSA-N 2 2 244.404 0.783 20 0 BCADLP [NH3+]CCCCCC(=O)Nc1cc[nH+]cc1O ZINC000828974459 587476922 /nfs/dbraw/zinc/47/69/22/587476922.db2.gz UTYPKRTZSYVHOI-UHFFFAOYSA-N 2 2 223.276 0.667 20 0 BCADLP CC[N@@H+]1CC[C@H]1CNC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000829450294 587498230 /nfs/dbraw/zinc/49/82/30/587498230.db2.gz PXTNLXJTPURZHP-ITKZLYELSA-N 2 2 248.330 0.644 20 0 BCADLP CC[N@H+]1CC[C@H]1CNC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000829450294 587498231 /nfs/dbraw/zinc/49/82/31/587498231.db2.gz PXTNLXJTPURZHP-ITKZLYELSA-N 2 2 248.330 0.644 20 0 BCADLP O=C(Nc1ccc2[nH+]ccn2c1)[C@@]1(F)CC[NH2+]C1 ZINC000829463866 587498879 /nfs/dbraw/zinc/49/88/79/587498879.db2.gz SAHLBPHSZMBGOH-GFCCVEGCSA-N 2 2 248.261 0.974 20 0 BCADLP C[C@@H]1[C@@H](NC(=O)/C=C\c2cn(C)c[nH+]2)CC[N@@H+]1C ZINC000830111164 587536503 /nfs/dbraw/zinc/53/65/03/587536503.db2.gz LWWUBNXOOQGEJG-SFLCEZBHSA-N 2 2 248.330 0.642 20 0 BCADLP C[C@@H]1[C@@H](NC(=O)/C=C\c2cn(C)c[nH+]2)CC[N@H+]1C ZINC000830111164 587536504 /nfs/dbraw/zinc/53/65/04/587536504.db2.gz LWWUBNXOOQGEJG-SFLCEZBHSA-N 2 2 248.330 0.642 20 0 BCADLP C[C@@]1(NC(=O)N[C@H]2CCn3cc[nH+]c32)CC[NH2+]C1 ZINC000831092128 587585604 /nfs/dbraw/zinc/58/56/04/587585604.db2.gz IXDOBJGOWVRELS-JOYOIKCWSA-N 2 2 249.318 0.379 20 0 BCADLP C[NH+](C)C1(CNC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC000832696811 587677936 /nfs/dbraw/zinc/67/79/36/587677936.db2.gz OVAUHZGDIYJSRH-UHFFFAOYSA-N 2 2 236.319 0.553 20 0 BCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000837437415 587872939 /nfs/dbraw/zinc/87/29/39/587872939.db2.gz KMSZOFHTTXIRJI-JTQLQIEISA-N 2 2 236.319 0.354 20 0 BCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000837437415 587872941 /nfs/dbraw/zinc/87/29/41/587872941.db2.gz KMSZOFHTTXIRJI-JTQLQIEISA-N 2 2 236.319 0.354 20 0 BCADLP COc1ncncc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000842673063 588051304 /nfs/dbraw/zinc/05/13/04/588051304.db2.gz IKBVCUIRGIXJRZ-SNVBAGLBSA-N 2 2 238.335 0.915 20 0 BCADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)C1CC1 ZINC000843085981 588080651 /nfs/dbraw/zinc/08/06/51/588080651.db2.gz DUNDFTHBNUNBSE-CHWSQXEVSA-N 2 2 242.363 0.194 20 0 BCADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)C1CC1 ZINC000843085981 588080653 /nfs/dbraw/zinc/08/06/53/588080653.db2.gz DUNDFTHBNUNBSE-CHWSQXEVSA-N 2 2 242.363 0.194 20 0 BCADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)C1CC1 ZINC000843085984 588080821 /nfs/dbraw/zinc/08/08/21/588080821.db2.gz DUNDFTHBNUNBSE-STQMWFEESA-N 2 2 242.363 0.194 20 0 BCADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)C1CC1 ZINC000843085984 588080823 /nfs/dbraw/zinc/08/08/23/588080823.db2.gz DUNDFTHBNUNBSE-STQMWFEESA-N 2 2 242.363 0.194 20 0 BCADLP Cn1c[nH+]cc1Cc1noc(C[C@@H]2CCC[NH2+]2)n1 ZINC000843200460 588093196 /nfs/dbraw/zinc/09/31/96/588093196.db2.gz OQFQKZLNVCKSIY-VIFPVBQESA-N 2 2 247.302 0.688 20 0 BCADLP CCCCOC(=O)CC[N@@H+]1CC[C@H]([NH3+])C1 ZINC000843346476 588101936 /nfs/dbraw/zinc/10/19/36/588101936.db2.gz KDWNJPJFQPKWBY-JTQLQIEISA-N 2 2 214.309 0.753 20 0 BCADLP CCCCOC(=O)CC[N@H+]1CC[C@H]([NH3+])C1 ZINC000843346476 588101937 /nfs/dbraw/zinc/10/19/37/588101937.db2.gz KDWNJPJFQPKWBY-JTQLQIEISA-N 2 2 214.309 0.753 20 0 BCADLP CCCOC(=O)[C@H](C)[N@H+](C)CCC[NH3+] ZINC000843351244 588102221 /nfs/dbraw/zinc/10/22/21/588102221.db2.gz MXTSRKZYRZAUEH-VIFPVBQESA-N 2 2 202.298 0.609 20 0 BCADLP CCCOC(=O)[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000843351244 588102222 /nfs/dbraw/zinc/10/22/22/588102222.db2.gz MXTSRKZYRZAUEH-VIFPVBQESA-N 2 2 202.298 0.609 20 0 BCADLP CCCS(=O)(=O)CC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000843356317 588103193 /nfs/dbraw/zinc/10/31/93/588103193.db2.gz TXTGOATYTSTRHU-LLVKDONJSA-N 2 2 248.392 0.528 20 0 BCADLP CC[NH2+]CC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000844167535 588171515 /nfs/dbraw/zinc/17/15/15/588171515.db2.gz BPVBVOJLOYWKOZ-UHFFFAOYSA-N 2 2 246.314 0.603 20 0 BCADLP COc1c(C)c[nH+]c(CNC(=O)C[NH3+])c1C ZINC000844177592 588172282 /nfs/dbraw/zinc/17/22/82/588172282.db2.gz LUGOWUZFIPJJIW-UHFFFAOYSA-N 2 2 223.276 0.282 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1c(C)noc1C ZINC000846218876 588260751 /nfs/dbraw/zinc/26/07/51/588260751.db2.gz XIANQCNAEQQHTJ-GFCCVEGCSA-N 2 2 241.335 0.694 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1c(C)noc1C ZINC000846218876 588260752 /nfs/dbraw/zinc/26/07/52/588260752.db2.gz XIANQCNAEQQHTJ-GFCCVEGCSA-N 2 2 241.335 0.694 20 0 BCADLP COCC[NH2+]C1CC[NH+](CCF)CC1 ZINC000846223364 588261782 /nfs/dbraw/zinc/26/17/82/588261782.db2.gz QBEOVTLYKBIQSK-UHFFFAOYSA-N 2 2 204.289 0.656 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1C(C)(C)C1(C)C ZINC000846671376 588281794 /nfs/dbraw/zinc/28/17/94/588281794.db2.gz BFGXKYZHLREGBQ-SECBINFHSA-N 2 2 241.379 0.816 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC1C(C)(C)C1(C)C ZINC000846671378 588281832 /nfs/dbraw/zinc/28/18/32/588281832.db2.gz BFGXKYZHLREGBQ-VIFPVBQESA-N 2 2 241.379 0.816 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC2OCCO2)C1 ZINC000846838564 588292169 /nfs/dbraw/zinc/29/21/69/588292169.db2.gz PHVOVUIKCPVNJW-JTQLQIEISA-N 2 2 237.303 0.582 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC2OCCO2)C1 ZINC000846838564 588292170 /nfs/dbraw/zinc/29/21/70/588292170.db2.gz PHVOVUIKCPVNJW-JTQLQIEISA-N 2 2 237.303 0.582 20 0 BCADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@H](C)O ZINC000848550382 588395965 /nfs/dbraw/zinc/39/59/65/588395965.db2.gz KYLNMEDCGHKIPR-MDZLAQPJSA-N 2 2 242.363 0.599 20 0 BCADLP CCn1nc(C)c(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000848723174 588408936 /nfs/dbraw/zinc/40/89/36/588408936.db2.gz XCPOQQLNXIFDKT-WDEREUQCSA-N 2 2 237.351 0.966 20 0 BCADLP CCNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000848983455 588424637 /nfs/dbraw/zinc/42/46/37/588424637.db2.gz OUPDAPQEOGOWOH-UHFFFAOYSA-N 2 2 244.302 0.901 20 0 BCADLP C[C@H](CNC(=[NH2+])N(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849048768 588450948 /nfs/dbraw/zinc/45/09/48/588450948.db2.gz KNGOHPNJUGJLGD-MXWKQRLJSA-N 2 2 242.367 0.570 20 0 BCADLP C[C@H](CNC(=[NH2+])N(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849048768 588450950 /nfs/dbraw/zinc/45/09/50/588450950.db2.gz KNGOHPNJUGJLGD-MXWKQRLJSA-N 2 2 242.367 0.570 20 0 BCADLP C(C[N@@H+]1CCCOCC1)NC1=[NH+]CCCCN1 ZINC000849217308 588462690 /nfs/dbraw/zinc/46/26/90/588462690.db2.gz JCRUYAGTKNJEEN-UHFFFAOYSA-N 2 2 240.351 0.038 20 0 BCADLP C(C[N@H+]1CCCOCC1)NC1=[NH+]CCCCN1 ZINC000849217308 588462692 /nfs/dbraw/zinc/46/26/92/588462692.db2.gz JCRUYAGTKNJEEN-UHFFFAOYSA-N 2 2 240.351 0.038 20 0 BCADLP C[NH+](C)Cc1cnc(C[NH2+]C/C=C\CO)s1 ZINC000850357602 588538422 /nfs/dbraw/zinc/53/84/22/588538422.db2.gz PFZNETJSGCPMHX-ARJAWSKDSA-N 2 2 241.360 0.843 20 0 BCADLP COC(CC[N@@H+]1CCn2c[nH+]cc2C1)OC ZINC000852062161 588658414 /nfs/dbraw/zinc/65/84/14/588658414.db2.gz AHIGXVMYQWKWPZ-UHFFFAOYSA-N 2 2 225.292 0.708 20 0 BCADLP COC(CC[N@H+]1CCn2c[nH+]cc2C1)OC ZINC000852062161 588658415 /nfs/dbraw/zinc/65/84/15/588658415.db2.gz AHIGXVMYQWKWPZ-UHFFFAOYSA-N 2 2 225.292 0.708 20 0 BCADLP c1[nH+]cn2c1C[N@H+](CCC1OCCCO1)CC2 ZINC000852061543 588658433 /nfs/dbraw/zinc/65/84/33/588658433.db2.gz WJCUXMSCQPXQJF-UHFFFAOYSA-N 2 2 237.303 0.852 20 0 BCADLP c1[nH+]cn2c1C[N@@H+](CCC1OCCCO1)CC2 ZINC000852061543 588658434 /nfs/dbraw/zinc/65/84/34/588658434.db2.gz WJCUXMSCQPXQJF-UHFFFAOYSA-N 2 2 237.303 0.852 20 0 BCADLP C[N@@H+]1CCC[C@]2(CC[NH+](CCc3c[nH]nn3)C2)C1 ZINC000852092402 588661580 /nfs/dbraw/zinc/66/15/80/588661580.db2.gz UHXIHVXMBCJUGN-ZDUSSCGKSA-N 2 2 249.362 0.765 20 0 BCADLP C[N@H+]1CCC[C@]2(CC[NH+](CCc3c[nH]nn3)C2)C1 ZINC000852092402 588661581 /nfs/dbraw/zinc/66/15/81/588661581.db2.gz UHXIHVXMBCJUGN-ZDUSSCGKSA-N 2 2 249.362 0.765 20 0 BCADLP C[NH+]1CCC[C@]2(CC[N@H+](CCc3c[nH]nn3)C2)C1 ZINC000852092402 588661582 /nfs/dbraw/zinc/66/15/82/588661582.db2.gz UHXIHVXMBCJUGN-ZDUSSCGKSA-N 2 2 249.362 0.765 20 0 BCADLP C[NH+]1CCC[C@]2(CC[N@@H+](CCc3c[nH]nn3)C2)C1 ZINC000852092402 588661583 /nfs/dbraw/zinc/66/15/83/588661583.db2.gz UHXIHVXMBCJUGN-ZDUSSCGKSA-N 2 2 249.362 0.765 20 0 BCADLP C[N@@H+]1CCC[C@]2(CC[NH+](CCc3cn[nH]n3)C2)C1 ZINC000852092402 588661584 /nfs/dbraw/zinc/66/15/84/588661584.db2.gz UHXIHVXMBCJUGN-ZDUSSCGKSA-N 2 2 249.362 0.765 20 0 BCADLP C[N@H+]1CCC[C@]2(CC[NH+](CCc3cn[nH]n3)C2)C1 ZINC000852092402 588661585 /nfs/dbraw/zinc/66/15/85/588661585.db2.gz UHXIHVXMBCJUGN-ZDUSSCGKSA-N 2 2 249.362 0.765 20 0 BCADLP C[NH+]1CCC[C@]2(CC[N@H+](CCc3cn[nH]n3)C2)C1 ZINC000852092402 588661586 /nfs/dbraw/zinc/66/15/86/588661586.db2.gz UHXIHVXMBCJUGN-ZDUSSCGKSA-N 2 2 249.362 0.765 20 0 BCADLP C[NH+]1CCC[C@]2(CC[N@@H+](CCc3cn[nH]n3)C2)C1 ZINC000852092402 588661587 /nfs/dbraw/zinc/66/15/87/588661587.db2.gz UHXIHVXMBCJUGN-ZDUSSCGKSA-N 2 2 249.362 0.765 20 0 BCADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC1OCCO1)C2 ZINC000852105404 588664062 /nfs/dbraw/zinc/66/40/62/588664062.db2.gz JQYDXWJLNRDOAT-ZDUSSCGKSA-N 2 2 240.347 0.777 20 0 BCADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC1OCCO1)C2 ZINC000852105404 588664063 /nfs/dbraw/zinc/66/40/63/588664063.db2.gz JQYDXWJLNRDOAT-ZDUSSCGKSA-N 2 2 240.347 0.777 20 0 BCADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC1OCCO1)C2 ZINC000852105404 588664064 /nfs/dbraw/zinc/66/40/64/588664064.db2.gz JQYDXWJLNRDOAT-ZDUSSCGKSA-N 2 2 240.347 0.777 20 0 BCADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC1OCCO1)C2 ZINC000852105404 588664065 /nfs/dbraw/zinc/66/40/65/588664065.db2.gz JQYDXWJLNRDOAT-ZDUSSCGKSA-N 2 2 240.347 0.777 20 0 BCADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H]1C[NH2+]CCO1 ZINC000852746409 588699140 /nfs/dbraw/zinc/69/91/40/588699140.db2.gz KYDFVSGESVQIGX-PSEXLTFBSA-N 3 2 239.363 0.319 20 0 BCADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H]1C[NH2+]CCO1 ZINC000852746409 588699141 /nfs/dbraw/zinc/69/91/41/588699141.db2.gz KYDFVSGESVQIGX-PSEXLTFBSA-N 3 2 239.363 0.319 20 0 BCADLP [NH3+]CC12CC(C1)C[N@@H+]2CCOC(F)F ZINC000852755712 588700401 /nfs/dbraw/zinc/70/04/01/588700401.db2.gz ADIYXJATDPLQPF-UHFFFAOYSA-N 2 2 206.236 0.649 20 0 BCADLP [NH3+]CC12CC(C1)C[N@H+]2CCOC(F)F ZINC000852755712 588700402 /nfs/dbraw/zinc/70/04/02/588700402.db2.gz ADIYXJATDPLQPF-UHFFFAOYSA-N 2 2 206.236 0.649 20 0 BCADLP C[C@@H]([NH3+])C[NH+]1CCC(N2CCOC2=O)CC1 ZINC000852761616 588701079 /nfs/dbraw/zinc/70/10/79/588701079.db2.gz YDEKQBGRVDBEKZ-SECBINFHSA-N 2 2 227.308 0.250 20 0 BCADLP CCC/C=C\C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000852797846 588703715 /nfs/dbraw/zinc/70/37/15/588703715.db2.gz CEZUZXLPBLOOFJ-ISALQUGTSA-N 2 2 225.336 0.444 20 0 BCADLP CCC/C=C\C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000852797846 588703716 /nfs/dbraw/zinc/70/37/16/588703716.db2.gz CEZUZXLPBLOOFJ-ISALQUGTSA-N 2 2 225.336 0.444 20 0 BCADLP O=C(C=C1CC[NH2+]CC1)NCCn1cc[nH+]c1 ZINC000852855326 588708490 /nfs/dbraw/zinc/70/84/90/588708490.db2.gz IIKVTNVMIOKHEI-UHFFFAOYSA-N 2 2 234.303 0.309 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1(C)C ZINC000852873140 588709791 /nfs/dbraw/zinc/70/97/91/588709791.db2.gz PPRZSQUYHDXFGB-UTLUCORTSA-N 2 2 248.330 0.677 20 0 BCADLP [NH3+]C1(CC(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000852890227 588711515 /nfs/dbraw/zinc/71/15/15/588711515.db2.gz WPRUUERZFYOSLR-SECBINFHSA-N 2 2 234.303 0.955 20 0 BCADLP C[C@@H](NC(=O)[C@]1(F)CC[NH2+]C1)c1[nH+]ccn1C ZINC000852916796 588713024 /nfs/dbraw/zinc/71/30/24/588713024.db2.gz BNJCYQKAQFMXLA-KCJUWKMLSA-N 2 2 240.282 0.299 20 0 BCADLP Cc1c[nH+]cn1CC(=O)OCc1c[nH+]cn1C ZINC000860575841 589106676 /nfs/dbraw/zinc/10/66/76/589106676.db2.gz IYMNXLUQFFYBKE-UHFFFAOYSA-N 2 2 234.259 0.668 20 0 BCADLP C[N@@H+]1CC[C@H](C(=O)N2CCc3[nH+]c[nH]c3C2)C1 ZINC000861760973 589176730 /nfs/dbraw/zinc/17/67/30/589176730.db2.gz SPBVECGSZJGWPP-VIFPVBQESA-N 2 2 234.303 0.246 20 0 BCADLP C[N@H+]1CC[C@H](C(=O)N2CCc3[nH+]c[nH]c3C2)C1 ZINC000861760973 589176734 /nfs/dbraw/zinc/17/67/34/589176734.db2.gz SPBVECGSZJGWPP-VIFPVBQESA-N 2 2 234.303 0.246 20 0 BCADLP C[C@]1(NC(=O)Cc2c[nH+]c[nH]2)C[NH+]2CCC1CC2 ZINC000864083897 589341980 /nfs/dbraw/zinc/34/19/80/589341980.db2.gz FLCUYWHOMXOKGO-ZDUSSCGKSA-N 2 2 248.330 0.553 20 0 BCADLP C[C@]1(NC(=O)Cc2c[nH]c[nH+]2)C[NH+]2CCC1CC2 ZINC000864083897 589341982 /nfs/dbraw/zinc/34/19/82/589341982.db2.gz FLCUYWHOMXOKGO-ZDUSSCGKSA-N 2 2 248.330 0.553 20 0 BCADLP C[C@@H]1C[C@H]1NC(=[NH2+])NCCCn1cc[nH+]c1 ZINC000864453373 589365587 /nfs/dbraw/zinc/36/55/87/589365587.db2.gz ZAPVWHCCDHHFBT-NXEZZACHSA-N 2 2 221.308 0.796 20 0 BCADLP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[NH+]1CCSCC1 ZINC000864458781 589368191 /nfs/dbraw/zinc/36/81/91/589368191.db2.gz SIBYPPWUMVYQKC-ZJUUUORDSA-N 2 2 242.392 0.558 20 0 BCADLP C[C@H]1C[C@H]1NC(=[NH2+])NCCc1cn(C)c[nH+]1 ZINC000864466743 589371174 /nfs/dbraw/zinc/37/11/74/589371174.db2.gz ONRCFWNPKSWOGJ-WCBMZHEXSA-N 2 2 221.308 0.485 20 0 BCADLP C[N@@H+]1CCn2nc(NCc3[nH]cc[nH+]3)cc2C1 ZINC000865844561 589464842 /nfs/dbraw/zinc/46/48/42/589464842.db2.gz OGYMPOSJFBPTPF-UHFFFAOYSA-N 2 2 232.291 0.664 20 0 BCADLP C[N@H+]1CCn2nc(NCc3[nH]cc[nH+]3)cc2C1 ZINC000865844561 589464843 /nfs/dbraw/zinc/46/48/43/589464843.db2.gz OGYMPOSJFBPTPF-UHFFFAOYSA-N 2 2 232.291 0.664 20 0 BCADLP Cc1nc(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)nc(N)[nH+]1 ZINC000866210013 589480651 /nfs/dbraw/zinc/48/06/51/589480651.db2.gz XWVMZDODRAGSCV-UWVGGRQHSA-N 2 2 248.334 0.293 20 0 BCADLP Cc1nc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)nc(N)[nH+]1 ZINC000866210013 589480652 /nfs/dbraw/zinc/48/06/52/589480652.db2.gz XWVMZDODRAGSCV-UWVGGRQHSA-N 2 2 248.334 0.293 20 0 BCADLP Cc1nc(N)nc(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)[nH+]1 ZINC000866210013 589480653 /nfs/dbraw/zinc/48/06/53/589480653.db2.gz XWVMZDODRAGSCV-UWVGGRQHSA-N 2 2 248.334 0.293 20 0 BCADLP Cc1nc(N)nc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)[nH+]1 ZINC000866210013 589480654 /nfs/dbraw/zinc/48/06/54/589480654.db2.gz XWVMZDODRAGSCV-UWVGGRQHSA-N 2 2 248.334 0.293 20 0 BCADLP NC(=O)c1ccc(CC[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000866659803 589507870 /nfs/dbraw/zinc/50/78/70/589507870.db2.gz UYHRUEYFYGVCFQ-GFCCVEGCSA-N 2 2 233.315 0.361 20 0 BCADLP NC(=O)c1ccc(CC[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000866659803 589507871 /nfs/dbraw/zinc/50/78/71/589507871.db2.gz UYHRUEYFYGVCFQ-GFCCVEGCSA-N 2 2 233.315 0.361 20 0 BCADLP C[NH2+]CC[N@H+](C)CCc1ccc(C(N)=O)cc1 ZINC000866665188 589509671 /nfs/dbraw/zinc/50/96/71/589509671.db2.gz ADNHWVRDPYEHDR-UHFFFAOYSA-N 2 2 235.331 0.479 20 0 BCADLP C[NH2+]CC[N@@H+](C)CCc1ccc(C(N)=O)cc1 ZINC000866665188 589509673 /nfs/dbraw/zinc/50/96/73/589509673.db2.gz ADNHWVRDPYEHDR-UHFFFAOYSA-N 2 2 235.331 0.479 20 0 BCADLP Cn1cc(CC[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)cn1 ZINC000866723566 589516007 /nfs/dbraw/zinc/51/60/07/589516007.db2.gz FXUOPIHUWVJSTG-STQMWFEESA-N 2 2 234.347 0.789 20 0 BCADLP Cn1cc(CC[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)cn1 ZINC000866723566 589516008 /nfs/dbraw/zinc/51/60/08/589516008.db2.gz FXUOPIHUWVJSTG-STQMWFEESA-N 2 2 234.347 0.789 20 0 BCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000867998759 589543038 /nfs/dbraw/zinc/54/30/38/589543038.db2.gz GOBLJOFQSQAMSI-AGIUHOORSA-N 2 2 245.326 0.637 20 0 BCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000867998759 589543039 /nfs/dbraw/zinc/54/30/39/589543039.db2.gz GOBLJOFQSQAMSI-AGIUHOORSA-N 2 2 245.326 0.637 20 0 BCADLP C[C@@H](C[NH3+])C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000867999161 589543079 /nfs/dbraw/zinc/54/30/79/589543079.db2.gz TUNDZHFZPFKUAA-GXFFZTMASA-N 2 2 247.342 0.884 20 0 BCADLP C[C@@H](C[NH3+])C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000867999161 589543080 /nfs/dbraw/zinc/54/30/80/589543080.db2.gz TUNDZHFZPFKUAA-GXFFZTMASA-N 2 2 247.342 0.884 20 0 BCADLP C[C@@H](C[NH3+])C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000867999160 589543158 /nfs/dbraw/zinc/54/31/58/589543158.db2.gz TUNDZHFZPFKUAA-GWCFXTLKSA-N 2 2 247.342 0.884 20 0 BCADLP C[C@@H](C[NH3+])C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000867999160 589543159 /nfs/dbraw/zinc/54/31/59/589543159.db2.gz TUNDZHFZPFKUAA-GWCFXTLKSA-N 2 2 247.342 0.884 20 0 BCADLP C[C@@]1([NH3+])CCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000868072211 589548055 /nfs/dbraw/zinc/54/80/55/589548055.db2.gz PVNMUUBHTZJSTE-CYBMUJFWSA-N 2 2 244.298 0.898 20 0 BCADLP CC[C@@H]1C[N@@H+]([C@@H]2CCOC2=O)CC[C@@H]1[NH3+] ZINC000122890957 589643127 /nfs/dbraw/zinc/64/31/27/589643127.db2.gz NXLYVFKBLGYUKL-KXUCPTDWSA-N 2 2 212.293 0.361 20 0 BCADLP CC[C@@H]1C[N@H+]([C@@H]2CCOC2=O)CC[C@@H]1[NH3+] ZINC000122890957 589643128 /nfs/dbraw/zinc/64/31/28/589643128.db2.gz NXLYVFKBLGYUKL-KXUCPTDWSA-N 2 2 212.293 0.361 20 0 BCADLP O=C(CCC12CC(C1)C[NH2+]2)Nc1cc[nH+]cc1O ZINC000870883901 589694066 /nfs/dbraw/zinc/69/40/66/589694066.db2.gz JLBVFSYBMPVNNY-UHFFFAOYSA-N 2 2 247.298 0.680 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870950195 589700617 /nfs/dbraw/zinc/70/06/17/589700617.db2.gz ACKCRRYBTNONJV-UHFFFAOYSA-N 2 2 248.330 0.900 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870950195 589700619 /nfs/dbraw/zinc/70/06/19/589700619.db2.gz ACKCRRYBTNONJV-UHFFFAOYSA-N 2 2 248.330 0.900 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H](C)C2CC[NH2+]CC2)c[nH+]1 ZINC000870986536 589706228 /nfs/dbraw/zinc/70/62/28/589706228.db2.gz KSPCSJJKSATCQG-QMMMGPOBSA-N 2 2 236.319 0.836 20 0 BCADLP C[N@@H+]1CCn2nc(NC(=O)[C@H]3CCC[NH2+]3)cc2C1 ZINC000871010878 589711208 /nfs/dbraw/zinc/71/12/08/589711208.db2.gz KKZPYGPSPXOSQD-SNVBAGLBSA-N 2 2 249.318 0.019 20 0 BCADLP C[N@H+]1CCn2nc(NC(=O)[C@H]3CCC[NH2+]3)cc2C1 ZINC000871010878 589711211 /nfs/dbraw/zinc/71/12/11/589711211.db2.gz KKZPYGPSPXOSQD-SNVBAGLBSA-N 2 2 249.318 0.019 20 0 BCADLP [NH3+][C@@H](CC(=O)NCCCn1cc[nH+]c1)C1CC1 ZINC000123580574 589754705 /nfs/dbraw/zinc/75/47/05/589754705.db2.gz JKPWRVALPWFUAU-NSHDSACASA-N 2 2 236.319 0.517 20 0 BCADLP COCCN(C)C(=[NH2+])NCCc1cn(C)c[nH+]1 ZINC000871608954 589775696 /nfs/dbraw/zinc/77/56/96/589775696.db2.gz QRSXLFACWXKNLR-UHFFFAOYSA-N 2 2 239.323 0.065 20 0 BCADLP CC(C)(O)C[C@@H](O)C[NH2+]CCCn1cc[nH+]c1 ZINC000871965092 589848918 /nfs/dbraw/zinc/84/89/18/589848918.db2.gz MHGUSVOXODHQTL-LLVKDONJSA-N 2 2 241.335 0.385 20 0 BCADLP C[NH+](C)C1CC[NH+](C[C@H](O)CC(C)(C)O)CC1 ZINC000871978514 589850855 /nfs/dbraw/zinc/85/08/55/589850855.db2.gz UJSYQQCABPXIBI-GFCCVEGCSA-N 2 2 244.379 0.534 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872127331 589876563 /nfs/dbraw/zinc/87/65/63/589876563.db2.gz ZYAPDPUHENGLGW-UKJIMTQDSA-N 2 2 224.348 0.830 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872127331 589876567 /nfs/dbraw/zinc/87/65/67/589876567.db2.gz ZYAPDPUHENGLGW-UKJIMTQDSA-N 2 2 224.348 0.830 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872127330 589876757 /nfs/dbraw/zinc/87/67/57/589876757.db2.gz ZYAPDPUHENGLGW-FPQZTECRSA-N 2 2 224.348 0.830 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872127330 589876759 /nfs/dbraw/zinc/87/67/59/589876759.db2.gz ZYAPDPUHENGLGW-FPQZTECRSA-N 2 2 224.348 0.830 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872127332 589877075 /nfs/dbraw/zinc/87/70/75/589877075.db2.gz ZYAPDPUHENGLGW-WFFHOREQSA-N 2 2 224.348 0.830 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872127332 589877076 /nfs/dbraw/zinc/87/70/76/589877076.db2.gz ZYAPDPUHENGLGW-WFFHOREQSA-N 2 2 224.348 0.830 20 0 BCADLP [NH3+]CC[N@H+](CCO)Cc1cccc2ncccc12 ZINC000872142713 589883479 /nfs/dbraw/zinc/88/34/79/589883479.db2.gz AVNYQCPGAARYEL-UHFFFAOYSA-N 2 2 245.326 0.988 20 0 BCADLP [NH3+]CC[N@@H+](CCO)Cc1cccc2ncccc12 ZINC000872142713 589883482 /nfs/dbraw/zinc/88/34/82/589883482.db2.gz AVNYQCPGAARYEL-UHFFFAOYSA-N 2 2 245.326 0.988 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CC3(CCC3)CO2)CCO1 ZINC000872144411 589884184 /nfs/dbraw/zinc/88/41/84/589884184.db2.gz YHSAYGZUGGDOIL-VXGBXAGGSA-N 2 2 240.347 0.605 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CC3(CCC3)CO2)CCO1 ZINC000872144411 589884186 /nfs/dbraw/zinc/88/41/86/589884186.db2.gz YHSAYGZUGGDOIL-VXGBXAGGSA-N 2 2 240.347 0.605 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](C[C@H]2CC3(CCC3)CO2)CCO1 ZINC000872144408 589884244 /nfs/dbraw/zinc/88/42/44/589884244.db2.gz YHSAYGZUGGDOIL-NEPJUHHUSA-N 2 2 240.347 0.605 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](C[C@H]2CC3(CCC3)CO2)CCO1 ZINC000872144408 589884246 /nfs/dbraw/zinc/88/42/46/589884246.db2.gz YHSAYGZUGGDOIL-NEPJUHHUSA-N 2 2 240.347 0.605 20 0 BCADLP C[NH2+]CCC[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872153005 589884671 /nfs/dbraw/zinc/88/46/71/589884671.db2.gz XUZUGBHQCLYEPA-BDAKNGLRSA-N 3 2 239.285 0.665 20 0 BCADLP C[NH2+]CCC[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872153005 589884673 /nfs/dbraw/zinc/88/46/73/589884673.db2.gz XUZUGBHQCLYEPA-BDAKNGLRSA-N 3 2 239.285 0.665 20 0 BCADLP Cc1cc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)ncn1 ZINC000872153420 589884826 /nfs/dbraw/zinc/88/48/26/589884826.db2.gz BLBIWMQWQZPGDW-WCQYABFASA-N 2 2 232.331 0.826 20 0 BCADLP Cc1cc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)ncn1 ZINC000872153420 589884828 /nfs/dbraw/zinc/88/48/28/589884828.db2.gz BLBIWMQWQZPGDW-WCQYABFASA-N 2 2 232.331 0.826 20 0 BCADLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)CC(C)(C)O)C1 ZINC000872201117 589890304 /nfs/dbraw/zinc/89/03/04/589890304.db2.gz WFLDJPXTMIBZBB-GHMZBOCLSA-N 2 2 230.352 0.192 20 0 BCADLP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)CC(C)(C)O)C1 ZINC000872201117 589890307 /nfs/dbraw/zinc/89/03/07/589890307.db2.gz WFLDJPXTMIBZBB-GHMZBOCLSA-N 2 2 230.352 0.192 20 0 BCADLP C[C@@H]([NH3+])c1cn(Cc2cn3ccccc3[nH+]2)nn1 ZINC000124260989 589971689 /nfs/dbraw/zinc/97/16/89/589971689.db2.gz DBOVCCILRIZPAX-SECBINFHSA-N 2 2 242.286 0.994 20 0 BCADLP C[N@H+](Cc1cnc(N)cn1)CC(C)(C)C[NH3+] ZINC000873200675 589992776 /nfs/dbraw/zinc/99/27/76/589992776.db2.gz CVVBLHRCQLCNKD-UHFFFAOYSA-N 2 2 223.324 0.476 20 0 BCADLP C[N@@H+](Cc1cnc(N)cn1)CC(C)(C)C[NH3+] ZINC000873200675 589992778 /nfs/dbraw/zinc/99/27/78/589992778.db2.gz CVVBLHRCQLCNKD-UHFFFAOYSA-N 2 2 223.324 0.476 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(N)cn2)C1 ZINC000873207657 589993811 /nfs/dbraw/zinc/99/38/11/589993811.db2.gz NOJDHVOUKQUZAW-LLVKDONJSA-N 2 2 249.362 0.832 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(N)cn2)C1 ZINC000873207657 589993812 /nfs/dbraw/zinc/99/38/12/589993812.db2.gz NOJDHVOUKQUZAW-LLVKDONJSA-N 2 2 249.362 0.832 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(N)cn2)C1 ZINC000873207657 589993814 /nfs/dbraw/zinc/99/38/14/589993814.db2.gz NOJDHVOUKQUZAW-LLVKDONJSA-N 2 2 249.362 0.832 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(N)cn2)C1 ZINC000873207657 589993815 /nfs/dbraw/zinc/99/38/15/589993815.db2.gz NOJDHVOUKQUZAW-LLVKDONJSA-N 2 2 249.362 0.832 20 0 BCADLP Nc1cnc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000873210734 589995113 /nfs/dbraw/zinc/99/51/13/589995113.db2.gz PYCBDSHQRICBNY-GXSJLCMTSA-N 2 2 233.319 0.243 20 0 BCADLP Nc1cnc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000873210734 589995115 /nfs/dbraw/zinc/99/51/15/589995115.db2.gz PYCBDSHQRICBNY-GXSJLCMTSA-N 2 2 233.319 0.243 20 0 BCADLP Nc1cnc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000873211756 589995822 /nfs/dbraw/zinc/99/58/22/589995822.db2.gz DMCVRLSGTZCNPL-SNVBAGLBSA-N 2 2 247.346 0.823 20 0 BCADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccnn1C ZINC000873223291 590001195 /nfs/dbraw/zinc/00/11/95/590001195.db2.gz MRXRAIIRJSXSLT-UWVGGRQHSA-N 2 2 208.309 0.823 20 0 BCADLP Cn1c[nH+]cc1CN[C@]12CCC[C@H]1[NH2+]CC2 ZINC000873231437 590002623 /nfs/dbraw/zinc/00/26/23/590002623.db2.gz NXBYCRPLMXVDLU-NEPJUHHUSA-N 2 2 220.320 0.794 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873234841 590004756 /nfs/dbraw/zinc/00/47/56/590004756.db2.gz IKFGGPMOVJPXGC-VHSXEESVSA-N 2 2 227.352 0.618 20 0 BCADLP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1nnnn1C1CC1 ZINC000873248311 590006663 /nfs/dbraw/zinc/00/66/63/590006663.db2.gz CVFRXUPJIPWCTA-JGVFFNPUSA-N 2 2 236.323 0.267 20 0 BCADLP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1nnnn1C1CC1 ZINC000873251620 590008269 /nfs/dbraw/zinc/00/82/69/590008269.db2.gz WSCUJZIJJCKRNS-DJLDLDEBSA-N 2 2 238.339 0.784 20 0 BCADLP [NH3+][C@H]1C[C@H](C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000873255026 590010382 /nfs/dbraw/zinc/01/03/82/590010382.db2.gz DDFYVJLFUDYKAL-XYJRDEOASA-N 3 2 239.363 0.080 20 0 BCADLP [NH3+][C@H]1C[C@H](C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000873255025 590010440 /nfs/dbraw/zinc/01/04/40/590010440.db2.gz DDFYVJLFUDYKAL-OJAKKHQRSA-N 3 2 239.363 0.080 20 0 BCADLP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000873255696 590011164 /nfs/dbraw/zinc/01/11/64/590011164.db2.gz IHOWCSVJMMMFAC-BJDJZHNGSA-N 3 2 223.364 0.939 20 0 BCADLP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000873255696 590011167 /nfs/dbraw/zinc/01/11/67/590011167.db2.gz IHOWCSVJMMMFAC-BJDJZHNGSA-N 3 2 223.364 0.939 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[NH+]1CCCC1 ZINC000874049307 590087295 /nfs/dbraw/zinc/08/72/95/590087295.db2.gz HMKLXDXZARDOEE-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)C[NH+]1CCCC1 ZINC000874345312 590105503 /nfs/dbraw/zinc/10/55/03/590105503.db2.gz AOGCALOMOMABSA-UHFFFAOYSA-N 2 2 222.292 0.132 20 0 BCADLP O=C(C[NH+]1CCCC1)NCc1[nH]cc[nH+]1 ZINC000874458381 590112673 /nfs/dbraw/zinc/11/26/73/590112673.db2.gz ZSQQRESMCIMUKO-UHFFFAOYSA-N 2 2 208.265 0.122 20 0 BCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC000874830019 590141857 /nfs/dbraw/zinc/14/18/57/590141857.db2.gz PSTQZAZHHQRZDI-NWDGAFQWSA-N 2 2 248.330 0.578 20 0 BCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC000874830019 590141859 /nfs/dbraw/zinc/14/18/59/590141859.db2.gz PSTQZAZHHQRZDI-NWDGAFQWSA-N 2 2 248.330 0.578 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000876709751 590232555 /nfs/dbraw/zinc/23/25/55/590232555.db2.gz ZKDVSAJIUWRDBX-VHSXEESVSA-N 2 2 236.319 0.373 20 0 BCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000876708799 590232574 /nfs/dbraw/zinc/23/25/74/590232574.db2.gz BBACZBPBDZNNEK-JDEDCZITSA-N 2 2 248.330 0.411 20 0 BCADLP O=C(/C=C/[C@H]1CCC[NH2+]C1)NCCn1cc[nH+]c1 ZINC000876708883 590232660 /nfs/dbraw/zinc/23/26/60/590232660.db2.gz CVFUADJOFMMTFP-AAOUONPWSA-N 2 2 248.330 0.555 20 0 BCADLP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000876763373 590238720 /nfs/dbraw/zinc/23/87/20/590238720.db2.gz FAGWQGHVTYZPRS-SFYZADRCSA-N 2 2 222.292 0.399 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876778869 590240228 /nfs/dbraw/zinc/24/02/28/590240228.db2.gz QGQNSBAVUIMWIF-AOOOYVTPSA-N 2 2 236.319 0.852 20 0 BCADLP C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000876792586 590242258 /nfs/dbraw/zinc/24/22/58/590242258.db2.gz SKGFYXMXMFKHOG-RKDXNWHRSA-N 2 2 222.292 0.191 20 0 BCADLP C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000876792586 590242260 /nfs/dbraw/zinc/24/22/60/590242260.db2.gz SKGFYXMXMFKHOG-RKDXNWHRSA-N 2 2 222.292 0.191 20 0 BCADLP CCc1c[nH]c(CC(=O)N(C)C[C@@H](C)[NH3+])[nH+]1 ZINC000877108644 590286187 /nfs/dbraw/zinc/28/61/87/590286187.db2.gz ULUTVLKXGVEFGY-MRVPVSSYSA-N 2 2 224.308 0.320 20 0 BCADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000877154581 590293119 /nfs/dbraw/zinc/29/31/19/590293119.db2.gz UCIAWCRZOUIKCW-VXGBXAGGSA-N 2 2 239.363 0.729 20 0 BCADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000877154581 590293121 /nfs/dbraw/zinc/29/31/21/590293121.db2.gz UCIAWCRZOUIKCW-VXGBXAGGSA-N 2 2 239.363 0.729 20 0 BCADLP CO[C@]1(C[NH2+]CC[N@@H+]2CCC[C@@H]2C)CCOC1 ZINC000877154807 590293373 /nfs/dbraw/zinc/29/33/73/590293373.db2.gz ZPEAJENYEXDDBZ-STQMWFEESA-N 2 2 242.363 0.866 20 0 BCADLP CO[C@]1(C[NH2+]CC[N@H+]2CCC[C@@H]2C)CCOC1 ZINC000877154807 590293375 /nfs/dbraw/zinc/29/33/75/590293375.db2.gz ZPEAJENYEXDDBZ-STQMWFEESA-N 2 2 242.363 0.866 20 0 BCADLP C[N@@H+]1CCn2nc(NC(=O)CC3([NH3+])CC3)cc2C1 ZINC000877266880 590305064 /nfs/dbraw/zinc/30/50/64/590305064.db2.gz UTLAXQIRCVNEHP-UHFFFAOYSA-N 2 2 249.318 0.148 20 0 BCADLP C[N@H+]1CCn2nc(NC(=O)CC3([NH3+])CC3)cc2C1 ZINC000877266880 590305066 /nfs/dbraw/zinc/30/50/66/590305066.db2.gz UTLAXQIRCVNEHP-UHFFFAOYSA-N 2 2 249.318 0.148 20 0 BCADLP Cc1[nH]c(C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)c[nH+]1 ZINC000877391707 590321914 /nfs/dbraw/zinc/32/19/14/590321914.db2.gz XILVGKJMKOLMCK-JQWIXIFHSA-N 2 2 234.303 0.733 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)c[nH+]1 ZINC000877391709 590322309 /nfs/dbraw/zinc/32/23/09/590322309.db2.gz XILVGKJMKOLMCK-ZYHUDNBSSA-N 2 2 234.303 0.733 20 0 BCADLP CCCCOC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000126893897 590491600 /nfs/dbraw/zinc/49/16/00/590491600.db2.gz JZZCNQLCGQMRGE-WDEREUQCSA-N 2 2 228.336 0.999 20 0 BCADLP CCCCOC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000126893897 590491601 /nfs/dbraw/zinc/49/16/01/590491601.db2.gz JZZCNQLCGQMRGE-WDEREUQCSA-N 2 2 228.336 0.999 20 0 BCADLP C[C@H]1C[C@H]([NH+](C)CCn2cnnn2)CC[N@@H+]1C ZINC000878162164 590511780 /nfs/dbraw/zinc/51/17/80/590511780.db2.gz BTMQCFJGVFACGC-WDEREUQCSA-N 2 2 238.339 0.088 20 0 BCADLP C[C@H]1C[C@H]([NH+](C)CCn2cnnn2)CC[N@H+]1C ZINC000878162164 590511782 /nfs/dbraw/zinc/51/17/82/590511782.db2.gz BTMQCFJGVFACGC-WDEREUQCSA-N 2 2 238.339 0.088 20 0 BCADLP C[C@H]1C[C@H]([N@H+](C)CCn2cnnn2)CC[NH+]1C ZINC000878162164 590511784 /nfs/dbraw/zinc/51/17/84/590511784.db2.gz BTMQCFJGVFACGC-WDEREUQCSA-N 2 2 238.339 0.088 20 0 BCADLP C[C@H]1C[C@H]([N@@H+](C)CCn2cnnn2)CC[NH+]1C ZINC000878162164 590511786 /nfs/dbraw/zinc/51/17/86/590511786.db2.gz BTMQCFJGVFACGC-WDEREUQCSA-N 2 2 238.339 0.088 20 0 BCADLP C[N@@H+]1CC[C@H]2C[NH+](CC(=O)NC3CC3)CC[C@H]21 ZINC000879567165 590807287 /nfs/dbraw/zinc/80/72/87/590807287.db2.gz NJMGIAUXSHIXGA-CMPLNLGQSA-N 2 2 237.347 0.291 20 0 BCADLP C[N@H+]1CC[C@H]2C[NH+](CC(=O)NC3CC3)CC[C@H]21 ZINC000879567165 590807289 /nfs/dbraw/zinc/80/72/89/590807289.db2.gz NJMGIAUXSHIXGA-CMPLNLGQSA-N 2 2 237.347 0.291 20 0 BCADLP C[NH+]1CC[C@H]2C[N@H+](CC(=O)NC3CC3)CC[C@H]21 ZINC000879567165 590807292 /nfs/dbraw/zinc/80/72/92/590807292.db2.gz NJMGIAUXSHIXGA-CMPLNLGQSA-N 2 2 237.347 0.291 20 0 BCADLP C[NH+]1CC[C@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@H]21 ZINC000879567165 590807294 /nfs/dbraw/zinc/80/72/94/590807294.db2.gz NJMGIAUXSHIXGA-CMPLNLGQSA-N 2 2 237.347 0.291 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCC3)CC[C@@H]21 ZINC000879573309 590809459 /nfs/dbraw/zinc/80/94/59/590809459.db2.gz WIKGRTIXWYXRAJ-NEPJUHHUSA-N 2 2 237.347 0.245 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCC3)CC[C@@H]21 ZINC000879573309 590809464 /nfs/dbraw/zinc/80/94/64/590809464.db2.gz WIKGRTIXWYXRAJ-NEPJUHHUSA-N 2 2 237.347 0.245 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N3CCC3)CC[C@@H]21 ZINC000879573309 590809468 /nfs/dbraw/zinc/80/94/68/590809468.db2.gz WIKGRTIXWYXRAJ-NEPJUHHUSA-N 2 2 237.347 0.245 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]21 ZINC000879573309 590809473 /nfs/dbraw/zinc/80/94/73/590809473.db2.gz WIKGRTIXWYXRAJ-NEPJUHHUSA-N 2 2 237.347 0.245 20 0 BCADLP O[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C[C@@H]1O ZINC000879609770 590828870 /nfs/dbraw/zinc/82/88/70/590828870.db2.gz GZJMXRZGTMBHAC-OLZOCXBDSA-N 2 2 242.363 0.290 20 0 BCADLP O[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C[C@@H]1O ZINC000879609770 590828873 /nfs/dbraw/zinc/82/88/73/590828873.db2.gz GZJMXRZGTMBHAC-OLZOCXBDSA-N 2 2 242.363 0.290 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)CC(C)(C)C1 ZINC000879624644 590837561 /nfs/dbraw/zinc/83/75/61/590837561.db2.gz YKWGPBDKXMSBSZ-VXGBXAGGSA-N 2 2 244.379 0.392 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)CC(C)(C)C1 ZINC000879624644 590837567 /nfs/dbraw/zinc/83/75/67/590837567.db2.gz YKWGPBDKXMSBSZ-VXGBXAGGSA-N 2 2 244.379 0.392 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879624644 590837573 /nfs/dbraw/zinc/83/75/73/590837573.db2.gz YKWGPBDKXMSBSZ-VXGBXAGGSA-N 2 2 244.379 0.392 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879624644 590837577 /nfs/dbraw/zinc/83/75/77/590837577.db2.gz YKWGPBDKXMSBSZ-VXGBXAGGSA-N 2 2 244.379 0.392 20 0 BCADLP OC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1c[nH]c[nH+]1 ZINC000880071599 590917130 /nfs/dbraw/zinc/91/71/30/590917130.db2.gz KLVDUMHIENDVHA-NWDGAFQWSA-N 2 2 236.319 0.051 20 0 BCADLP OC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c[nH+]c[nH]1 ZINC000880071599 590917131 /nfs/dbraw/zinc/91/71/31/590917131.db2.gz KLVDUMHIENDVHA-NWDGAFQWSA-N 2 2 236.319 0.051 20 0 BCADLP OC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1c[nH+]c[nH]1 ZINC000880071599 590917134 /nfs/dbraw/zinc/91/71/34/590917134.db2.gz KLVDUMHIENDVHA-NWDGAFQWSA-N 2 2 236.319 0.051 20 0 BCADLP CC(=O)NCCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880134519 590938055 /nfs/dbraw/zinc/93/80/55/590938055.db2.gz SUXRDERETIBXND-OLZOCXBDSA-N 2 2 239.363 0.681 20 0 BCADLP CC(=O)NCCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880134519 590938058 /nfs/dbraw/zinc/93/80/58/590938058.db2.gz SUXRDERETIBXND-OLZOCXBDSA-N 2 2 239.363 0.681 20 0 BCADLP CC(=O)NCCC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880134519 590938060 /nfs/dbraw/zinc/93/80/60/590938060.db2.gz SUXRDERETIBXND-OLZOCXBDSA-N 2 2 239.363 0.681 20 0 BCADLP CC(=O)NCCC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880134519 590938063 /nfs/dbraw/zinc/93/80/63/590938063.db2.gz SUXRDERETIBXND-OLZOCXBDSA-N 2 2 239.363 0.681 20 0 BCADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2C[C@@H]1CCC(=O)N1 ZINC000880141978 590942151 /nfs/dbraw/zinc/94/21/51/590942151.db2.gz LIFNHOAFXAFRAX-SRVKXCTJSA-N 2 2 237.347 0.434 20 0 BCADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2C[C@@H]1CCC(=O)N1 ZINC000880141978 590942155 /nfs/dbraw/zinc/94/21/55/590942155.db2.gz LIFNHOAFXAFRAX-SRVKXCTJSA-N 2 2 237.347 0.434 20 0 BCADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2C[C@@H]1CCC(=O)N1 ZINC000880141978 590942158 /nfs/dbraw/zinc/94/21/58/590942158.db2.gz LIFNHOAFXAFRAX-SRVKXCTJSA-N 2 2 237.347 0.434 20 0 BCADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2C[C@@H]1CCC(=O)N1 ZINC000880141978 590942162 /nfs/dbraw/zinc/94/21/62/590942162.db2.gz LIFNHOAFXAFRAX-SRVKXCTJSA-N 2 2 237.347 0.434 20 0 BCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H]1COCCO1 ZINC000880142823 590942218 /nfs/dbraw/zinc/94/22/18/590942218.db2.gz UYAWOIZZXWHAER-JHJVBQTASA-N 2 2 240.347 0.570 20 0 BCADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H]1COCCO1 ZINC000880142823 590942222 /nfs/dbraw/zinc/94/22/22/590942222.db2.gz UYAWOIZZXWHAER-JHJVBQTASA-N 2 2 240.347 0.570 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H]1COCCO1 ZINC000880142823 590942227 /nfs/dbraw/zinc/94/22/27/590942227.db2.gz UYAWOIZZXWHAER-JHJVBQTASA-N 2 2 240.347 0.570 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H]1COCCO1 ZINC000880142823 590942228 /nfs/dbraw/zinc/94/22/28/590942228.db2.gz UYAWOIZZXWHAER-JHJVBQTASA-N 2 2 240.347 0.570 20 0 BCADLP COC[C@H](C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C)OC ZINC000880142925 590942645 /nfs/dbraw/zinc/94/26/45/590942645.db2.gz VZUYWGCZXBZWSB-XQQFMLRXSA-N 2 2 242.363 0.816 20 0 BCADLP COC[C@H](C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C)OC ZINC000880142925 590942647 /nfs/dbraw/zinc/94/26/47/590942647.db2.gz VZUYWGCZXBZWSB-XQQFMLRXSA-N 2 2 242.363 0.816 20 0 BCADLP COC[C@H](C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C)OC ZINC000880142925 590942648 /nfs/dbraw/zinc/94/26/48/590942648.db2.gz VZUYWGCZXBZWSB-XQQFMLRXSA-N 2 2 242.363 0.816 20 0 BCADLP COC[C@H](C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C)OC ZINC000880142925 590942649 /nfs/dbraw/zinc/94/26/49/590942649.db2.gz VZUYWGCZXBZWSB-XQQFMLRXSA-N 2 2 242.363 0.816 20 0 BCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1CCC(=O)N1 ZINC000880141977 590942656 /nfs/dbraw/zinc/94/26/56/590942656.db2.gz LIFNHOAFXAFRAX-SDDRHHMPSA-N 2 2 237.347 0.434 20 0 BCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1CCC(=O)N1 ZINC000880141977 590942657 /nfs/dbraw/zinc/94/26/57/590942657.db2.gz LIFNHOAFXAFRAX-SDDRHHMPSA-N 2 2 237.347 0.434 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1CCC(=O)N1 ZINC000880141977 590942658 /nfs/dbraw/zinc/94/26/58/590942658.db2.gz LIFNHOAFXAFRAX-SDDRHHMPSA-N 2 2 237.347 0.434 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1CCC(=O)N1 ZINC000880141977 590942659 /nfs/dbraw/zinc/94/26/59/590942659.db2.gz LIFNHOAFXAFRAX-SDDRHHMPSA-N 2 2 237.347 0.434 20 0 BCADLP COC[C@H](C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C)OC ZINC000880142926 590944972 /nfs/dbraw/zinc/94/49/72/590944972.db2.gz VZUYWGCZXBZWSB-YNEHKIRRSA-N 2 2 242.363 0.816 20 0 BCADLP COC[C@H](C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C)OC ZINC000880142926 590944973 /nfs/dbraw/zinc/94/49/73/590944973.db2.gz VZUYWGCZXBZWSB-YNEHKIRRSA-N 2 2 242.363 0.816 20 0 BCADLP COC[C@H](C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C)OC ZINC000880142926 590944974 /nfs/dbraw/zinc/94/49/74/590944974.db2.gz VZUYWGCZXBZWSB-YNEHKIRRSA-N 2 2 242.363 0.816 20 0 BCADLP COC[C@H](C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C)OC ZINC000880142926 590944976 /nfs/dbraw/zinc/94/49/76/590944976.db2.gz VZUYWGCZXBZWSB-YNEHKIRRSA-N 2 2 242.363 0.816 20 0 BCADLP OCCC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880207854 590958588 /nfs/dbraw/zinc/95/85/88/590958588.db2.gz BLOCZJVNPNOHMV-ZDUSSCGKSA-N 2 2 242.363 0.602 20 0 BCADLP OCCC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880207854 590958589 /nfs/dbraw/zinc/95/85/89/590958589.db2.gz BLOCZJVNPNOHMV-ZDUSSCGKSA-N 2 2 242.363 0.602 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259800 590979937 /nfs/dbraw/zinc/97/99/37/590979937.db2.gz IZORPTHTSJQMSI-GHMZBOCLSA-N 2 2 248.330 0.466 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259800 590979941 /nfs/dbraw/zinc/97/99/41/590979941.db2.gz IZORPTHTSJQMSI-GHMZBOCLSA-N 2 2 248.330 0.466 20 0 BCADLP CN(C)C(=O)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880470504 591048809 /nfs/dbraw/zinc/04/88/09/591048809.db2.gz KRGUAIVLDLFQBA-UHFFFAOYSA-N 2 2 239.363 0.635 20 0 BCADLP CC(C)[N@@H+]1CCCC[C@H]1CO[NH+]=C(N)CO ZINC000883012428 591512325 /nfs/dbraw/zinc/51/23/25/591512325.db2.gz FXRQBXZMWIVHJJ-JTQLQIEISA-N 2 2 229.324 0.740 20 0 BCADLP CC(C)[N@H+]1CCCC[C@H]1CO[NH+]=C(N)CO ZINC000883012428 591512327 /nfs/dbraw/zinc/51/23/27/591512327.db2.gz FXRQBXZMWIVHJJ-JTQLQIEISA-N 2 2 229.324 0.740 20 0 BCADLP [NH3+][C@@H]1CC[N@H+](C[C@H]2CCC3(CCOCC3)O2)C1 ZINC000883415500 591652793 /nfs/dbraw/zinc/65/27/93/591652793.db2.gz WYUGCVGNEAMZMR-VXGBXAGGSA-N 2 2 240.347 0.748 20 0 BCADLP [NH3+][C@@H]1CC[N@@H+](C[C@H]2CCC3(CCOCC3)O2)C1 ZINC000883415500 591652796 /nfs/dbraw/zinc/65/27/96/591652796.db2.gz WYUGCVGNEAMZMR-VXGBXAGGSA-N 2 2 240.347 0.748 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)C[C@H]1CCC2(CCOCC2)O1 ZINC000883418170 591654161 /nfs/dbraw/zinc/65/41/61/591654161.db2.gz ZOMQGJMBWDJWSU-NWDGAFQWSA-N 2 2 242.363 0.994 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@H]1CCC2(CCOCC2)O1 ZINC000883418170 591654164 /nfs/dbraw/zinc/65/41/64/591654164.db2.gz ZOMQGJMBWDJWSU-NWDGAFQWSA-N 2 2 242.363 0.994 20 0 BCADLP COC[C@](C)(CCO)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883422774 591657361 /nfs/dbraw/zinc/65/73/61/591657361.db2.gz UXQVTPOMCWZBEO-DCAQKATOSA-N 2 2 234.315 0.064 20 0 BCADLP CC[N@H+](CC[NH3+])C[C@@H]1CCC2(CCOCC2)O1 ZINC000883437402 591667208 /nfs/dbraw/zinc/66/72/08/591667208.db2.gz QYOFSXDOSCJHGA-LBPRGKRZSA-N 2 2 242.363 0.995 20 0 BCADLP CC[N@@H+](CC[NH3+])C[C@@H]1CCC2(CCOCC2)O1 ZINC000883437402 591667210 /nfs/dbraw/zinc/66/72/10/591667210.db2.gz QYOFSXDOSCJHGA-LBPRGKRZSA-N 2 2 242.363 0.995 20 0 BCADLP c1n[nH]cc1CC[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000883440714 591668235 /nfs/dbraw/zinc/66/82/35/591668235.db2.gz XEVSCZBTPLIRTL-NEPJUHHUSA-N 2 2 220.320 0.779 20 0 BCADLP c1n[nH]cc1CC[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000883440714 591668238 /nfs/dbraw/zinc/66/82/38/591668238.db2.gz XEVSCZBTPLIRTL-NEPJUHHUSA-N 2 2 220.320 0.779 20 0 BCADLP Cc1nonc1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000883441063 591668788 /nfs/dbraw/zinc/66/87/88/591668788.db2.gz GQQFXNDRZUEIJS-IUCAKERBSA-N 2 2 210.281 0.593 20 0 BCADLP CC[S@@](=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000133457308 591797633 /nfs/dbraw/zinc/79/76/33/591797633.db2.gz UKXVJSDXPFSRNC-HFAKWTLXSA-N 2 2 232.393 0.827 20 0 BCADLP CC[S@@](=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000133457308 591797635 /nfs/dbraw/zinc/79/76/35/591797635.db2.gz UKXVJSDXPFSRNC-HFAKWTLXSA-N 2 2 232.393 0.827 20 0 BCADLP Cc1cn(C(C)(C)C(=O)N(C)CCC[NH3+])c[nH+]1 ZINC000884035814 591817759 /nfs/dbraw/zinc/81/77/59/591817759.db2.gz ILWSGBOIOMCNRW-UHFFFAOYSA-N 2 2 238.335 0.734 20 0 BCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)C[NH3+])c[nH+]1 ZINC000884237415 591876808 /nfs/dbraw/zinc/87/68/08/591876808.db2.gz BQNCISSRKZAUNB-VIFPVBQESA-N 2 2 238.335 0.638 20 0 BCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)[NH3+])c[nH+]1 ZINC000884275850 591891141 /nfs/dbraw/zinc/89/11/41/591891141.db2.gz XVFHSQSGBRNEPS-MRVPVSSYSA-N 2 2 224.308 0.390 20 0 BCADLP CC[C@@H]([NH3+])CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000884297202 591896783 /nfs/dbraw/zinc/89/67/83/591896783.db2.gz MUGBPNMRBSUXQO-SNVBAGLBSA-N 2 2 238.335 0.780 20 0 BCADLP C[NH2+][C@@H](CC(C)C)C(=O)NCc1c[nH+]c[nH]1 ZINC000884312429 591900174 /nfs/dbraw/zinc/90/01/74/591900174.db2.gz FORCLNWEQHXWHX-JTQLQIEISA-N 2 2 224.308 0.660 20 0 BCADLP C[NH2+][C@@H](CC(C)C)C(=O)NCc1c[nH]c[nH+]1 ZINC000884312429 591900179 /nfs/dbraw/zinc/90/01/79/591900179.db2.gz FORCLNWEQHXWHX-JTQLQIEISA-N 2 2 224.308 0.660 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)c[nH+]1 ZINC000884360377 591914893 /nfs/dbraw/zinc/91/48/93/591914893.db2.gz ZGHOAFLNBLPCEN-DTWKUNHWSA-N 2 2 222.292 0.574 20 0 BCADLP CC1(C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1[NH3+] ZINC000884365321 591917116 /nfs/dbraw/zinc/91/71/16/591917116.db2.gz HQSVIGGILRBWTL-DEKFOEGESA-N 2 2 248.330 0.755 20 0 BCADLP CC1(C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1[NH3+] ZINC000884365321 591917118 /nfs/dbraw/zinc/91/71/18/591917118.db2.gz HQSVIGGILRBWTL-DEKFOEGESA-N 2 2 248.330 0.755 20 0 BCADLP CCc1nc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc[nH+]1 ZINC000884541432 591972449 /nfs/dbraw/zinc/97/24/49/591972449.db2.gz DUBAPTIYHSBHBB-LLVKDONJSA-N 2 2 248.330 0.294 20 0 BCADLP CCc1nc(N2CC([N@H+]3CC[C@@H](O)C3)C2)cc[nH+]1 ZINC000884541432 591972451 /nfs/dbraw/zinc/97/24/51/591972451.db2.gz DUBAPTIYHSBHBB-LLVKDONJSA-N 2 2 248.330 0.294 20 0 BCADLP Cc1cc(CO)cc(NCC[N@H+](C)CCO)[nH+]1 ZINC000884825248 592023649 /nfs/dbraw/zinc/02/36/49/592023649.db2.gz NCCYTDPCXKHEMV-UHFFFAOYSA-N 2 2 239.319 0.218 20 0 BCADLP Cc1cc(CO)cc(NCC[N@@H+](C)CCO)[nH+]1 ZINC000884825248 592023652 /nfs/dbraw/zinc/02/36/52/592023652.db2.gz NCCYTDPCXKHEMV-UHFFFAOYSA-N 2 2 239.319 0.218 20 0 BCADLP Cc1n[nH]c(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c1C ZINC000886044268 592140276 /nfs/dbraw/zinc/14/02/76/592140276.db2.gz UQXXIIOZPIFOHV-GFCCVEGCSA-N 2 2 240.351 0.429 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@H]([NH3+])C1CC1 ZINC000137259222 592164861 /nfs/dbraw/zinc/16/48/61/592164861.db2.gz SSTMALSJAZEFEY-KOLCDFICSA-N 2 2 236.319 0.515 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000886481099 592231290 /nfs/dbraw/zinc/23/12/90/592231290.db2.gz QIGRFBNTQPUBHT-VXGBXAGGSA-N 2 2 223.320 0.808 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000886481099 592231289 /nfs/dbraw/zinc/23/12/89/592231289.db2.gz QIGRFBNTQPUBHT-VXGBXAGGSA-N 2 2 223.320 0.808 20 0 BCADLP COC(=O)[C@H]1CC[C@H]([NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000886609393 592274225 /nfs/dbraw/zinc/27/42/25/592274225.db2.gz SBIGHKIZZWGPHY-DCAQKATOSA-N 2 2 228.336 0.868 20 0 BCADLP CCC1([NH+]2CCC2)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC000886707751 592308082 /nfs/dbraw/zinc/30/80/82/592308082.db2.gz QIUFZASEGLGDHE-LLVKDONJSA-N 2 2 239.363 0.811 20 0 BCADLP CC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1CC[NH2+]C1 ZINC000886847059 592365600 /nfs/dbraw/zinc/36/56/00/592365600.db2.gz YACVRGAIPNPYKB-NWDGAFQWSA-N 3 2 239.363 0.191 20 0 BCADLP CC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1CC[NH2+]C1 ZINC000886847059 592365604 /nfs/dbraw/zinc/36/56/04/592365604.db2.gz YACVRGAIPNPYKB-NWDGAFQWSA-N 3 2 239.363 0.191 20 0 BCADLP CCN(Cc1cc[nH+]c(N)c1)[C@H]1CC[NH2+]C1 ZINC000886848639 592365877 /nfs/dbraw/zinc/36/58/77/592365877.db2.gz JQUXRRUVNZCYRO-NSHDSACASA-N 2 2 220.320 0.848 20 0 BCADLP [NH2+]=C(NCC[NH+]1CCSCC1)NCC1CC1 ZINC000887353901 592486798 /nfs/dbraw/zinc/48/67/98/592486798.db2.gz HPMLBBIAFBXNIC-UHFFFAOYSA-N 2 2 242.392 0.559 20 0 BCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](C)CC1 ZINC000890073577 592677251 /nfs/dbraw/zinc/67/72/51/592677251.db2.gz QLUOZZNSBOTOGK-LLVKDONJSA-N 2 2 240.351 0.038 20 0 BCADLP CC[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](C)CC1 ZINC000890073577 592677256 /nfs/dbraw/zinc/67/72/56/592677256.db2.gz QLUOZZNSBOTOGK-LLVKDONJSA-N 2 2 240.351 0.038 20 0 BCADLP Cn1c[nH+]c(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)c1 ZINC000890107043 592681574 /nfs/dbraw/zinc/68/15/74/592681574.db2.gz HCAKUYWJACTQQP-LBPRGKRZSA-N 2 2 248.330 0.663 20 0 BCADLP Cn1c[nH+]c(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)c1 ZINC000890107043 592681576 /nfs/dbraw/zinc/68/15/76/592681576.db2.gz HCAKUYWJACTQQP-LBPRGKRZSA-N 2 2 248.330 0.663 20 0 BCADLP CC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027139329 634447482 /nfs/dbraw/zinc/44/74/82/634447482.db2.gz GFTMNNAMFWSQMU-SNVBAGLBSA-N 2 2 236.319 0.410 20 0 BCADLP Cn1c[nH+]c(CCNC(=[NH2+])NC(C)(C)C)c1 ZINC000313470240 634461740 /nfs/dbraw/zinc/46/17/40/634461740.db2.gz XFYJAQHUVNDCRE-UHFFFAOYSA-N 2 2 223.324 0.875 20 0 BCADLP C[NH2+]CCN(C)c1cc(N(C)C)[nH+]cn1 ZINC000258906473 635223129 /nfs/dbraw/zinc/22/31/29/635223129.db2.gz HBSAYOSXFCHLJB-UHFFFAOYSA-N 2 2 209.297 0.198 20 0 BCADLP C1=C[C@@H](C[NH2+][C@H]2C[NH2+]CCOC2)[C@H]2CO[C@@H]1C2 ZINC000925832824 635475737 /nfs/dbraw/zinc/47/57/37/635475737.db2.gz UNHGGWFUSYYCHD-RNJOBUHISA-N 2 2 238.331 0.156 20 0 BCADLP C[C@@H]([NH2+][C@H]1CNOC1)c1c[nH+]ccc1N ZINC000925865197 635567161 /nfs/dbraw/zinc/56/71/61/635567161.db2.gz DRKPOMVDDWNBLY-SFYZADRCSA-N 2 2 208.265 0.048 20 0 BCADLP COC(=O)[C@@H]([NH2+]CC1CC[NH+](C)CC1)C1CC1 ZINC000234544162 631572014 /nfs/dbraw/zinc/57/20/14/631572014.db2.gz NCQMGXWTCKYEIO-LBPRGKRZSA-N 2 2 240.347 0.869 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+]Cc1cnc[nH]1 ZINC000308818405 631673893 /nfs/dbraw/zinc/67/38/93/631673893.db2.gz PVNNEMZJEMDXHL-UHFFFAOYSA-N 2 2 205.265 0.704 20 0 BCADLP C[C@@H]1CC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000309204926 631967629 /nfs/dbraw/zinc/96/76/29/631967629.db2.gz MGHKKHOIDACDFN-GHMZBOCLSA-N 2 2 225.336 0.149 20 0 BCADLP Cc1cnc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cn1 ZINC000227037321 632415072 /nfs/dbraw/zinc/41/50/72/632415072.db2.gz ZQJVTKMLXMTSMT-JOYOIKCWSA-N 2 2 220.320 0.954 20 0 BCADLP Cc1cnc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cn1 ZINC000227037321 632415077 /nfs/dbraw/zinc/41/50/77/632415077.db2.gz ZQJVTKMLXMTSMT-JOYOIKCWSA-N 2 2 220.320 0.954 20 0 BCADLP C1=CC[C@@H]2C[N@@H+](C[C@@H]3C[NH2+]CCO3)C[C@@H]2C1 ZINC000309516027 632435547 /nfs/dbraw/zinc/43/55/47/632435547.db2.gz RMXKWKWCMXDSFU-XQQFMLRXSA-N 2 2 222.332 0.873 20 0 BCADLP C1=CC[C@@H]2C[N@H+](C[C@@H]3C[NH2+]CCO3)C[C@@H]2C1 ZINC000309516027 632435549 /nfs/dbraw/zinc/43/55/49/632435549.db2.gz RMXKWKWCMXDSFU-XQQFMLRXSA-N 2 2 222.332 0.873 20 0 BCADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cnn(C)n1 ZINC000924534169 632761921 /nfs/dbraw/zinc/76/19/21/632761921.db2.gz OAXKNITZZKNLOA-SNVBAGLBSA-N 2 2 234.307 0.753 20 0 BCADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cnn(C)n1 ZINC000924534165 632762705 /nfs/dbraw/zinc/76/27/05/632762705.db2.gz OAXKNITZZKNLOA-JTQLQIEISA-N 2 2 234.307 0.753 20 0 BCADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000309239372 632833144 /nfs/dbraw/zinc/83/31/44/632833144.db2.gz MFEPUEVGRSDKRM-GMTAPVOTSA-N 2 2 227.352 0.583 20 0 BCADLP c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000043802463 635915201 /nfs/dbraw/zinc/91/52/01/635915201.db2.gz NOALHHPRFKPUAO-LBPRGKRZSA-N 2 2 206.289 0.765 20 0 BCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928553141 636089218 /nfs/dbraw/zinc/08/92/18/636089218.db2.gz DXHSRLWLFPXDQJ-HBNTYKKESA-N 2 2 248.330 0.344 20 0 BCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928553141 636089220 /nfs/dbraw/zinc/08/92/20/636089220.db2.gz DXHSRLWLFPXDQJ-HBNTYKKESA-N 2 2 248.330 0.344 20 0 BCADLP C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000928557016 636095903 /nfs/dbraw/zinc/09/59/03/636095903.db2.gz YFYLCJXOGNPPIB-MNOVXSKESA-N 2 2 239.363 0.680 20 0 BCADLP C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000928557016 636095905 /nfs/dbraw/zinc/09/59/05/636095905.db2.gz YFYLCJXOGNPPIB-MNOVXSKESA-N 2 2 239.363 0.680 20 0 BCADLP C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000928557016 636095907 /nfs/dbraw/zinc/09/59/07/636095907.db2.gz YFYLCJXOGNPPIB-MNOVXSKESA-N 2 2 239.363 0.680 20 0 BCADLP C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000928557016 636095909 /nfs/dbraw/zinc/09/59/09/636095909.db2.gz YFYLCJXOGNPPIB-MNOVXSKESA-N 2 2 239.363 0.680 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328511294 633776609 /nfs/dbraw/zinc/77/66/09/633776609.db2.gz BMKPUXVKGIWZTL-MEBFFEOJSA-N 3 2 246.358 0.778 20 0 BCADLP O=CN1CCC([NH2+]CC[NH+]2CCCC2)CC1 ZINC000309547588 633950419 /nfs/dbraw/zinc/95/04/19/633950419.db2.gz DUOFQUJJYOUUQT-UHFFFAOYSA-N 2 2 225.336 0.293 20 0 BCADLP C[C@H]1COCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309982501 634024650 /nfs/dbraw/zinc/02/46/50/634024650.db2.gz BWBNESQQSGYCSK-CHWSQXEVSA-N 2 2 242.363 0.411 20 0 BCADLP C[C@H]1COCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309982501 634024660 /nfs/dbraw/zinc/02/46/60/634024660.db2.gz BWBNESQQSGYCSK-CHWSQXEVSA-N 2 2 242.363 0.411 20 0 BCADLP C[C@H]1C[NH+](CCN2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000309992281 634049378 /nfs/dbraw/zinc/04/93/78/634049378.db2.gz MBFXSRYHCOYFGP-STQMWFEESA-N 2 2 241.379 0.343 20 0 BCADLP c1ccc2c(c1)CC(C[NH2+][C@@H]1C[NH2+]CCOC1)C2 ZINC000925600435 634125838 /nfs/dbraw/zinc/12/58/38/634125838.db2.gz FFRKHXNSPLNKTM-OAHLLOKOSA-N 2 2 246.354 0.979 20 0 BCADLP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]CC(C)(C)[NH+](C)C ZINC000310415608 634145139 /nfs/dbraw/zinc/14/51/39/634145139.db2.gz JWONXPGTJHUMGD-WDEREUQCSA-N 2 2 241.379 0.973 20 0 BCADLP C[C@@H]1CC(C[NH2+][C@H]2C[NH2+]CCOC2)C[C@@H](C)O1 ZINC000925654451 634217168 /nfs/dbraw/zinc/21/71/68/634217168.db2.gz MNRQRAFHXLXBDN-WZRBSPASSA-N 2 2 242.363 0.768 20 0 BCADLP FC1(F)CC(CC[NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925684127 634292357 /nfs/dbraw/zinc/29/23/57/634292357.db2.gz DBTHVDHRBMLCML-JTQLQIEISA-N 2 2 234.290 1.000 20 0 BCADLP C(C[NH2+][C@@H]1C[NH2+]CCOC1)C[C@H]1CCOC1 ZINC000925687387 634304893 /nfs/dbraw/zinc/30/48/93/634304893.db2.gz JRLWFHRRGJWLAM-NWDGAFQWSA-N 2 2 228.336 0.381 20 0 BCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925688041 634305447 /nfs/dbraw/zinc/30/54/47/634305447.db2.gz DMSPUVAELXVAAC-SNVBAGLBSA-N 2 2 248.392 0.541 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925693062 634324012 /nfs/dbraw/zinc/32/40/12/634324012.db2.gz NYZULJNCAWEFSW-WGSKYGEUSA-N 3 2 235.375 0.700 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925696202 634351685 /nfs/dbraw/zinc/35/16/85/634351685.db2.gz YCFQDENEAHNUGM-FIQHERPVSA-N 3 2 223.364 0.973 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925696201 634352145 /nfs/dbraw/zinc/35/21/45/634352145.db2.gz YCFQDENEAHNUGM-BJDJZHNGSA-N 3 2 223.364 0.973 20 0 BCADLP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925698146 634361598 /nfs/dbraw/zinc/36/15/98/634361598.db2.gz CKPDSECHBACOAP-GHMZBOCLSA-N 3 2 215.341 0.082 20 0 BCADLP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925698150 634363231 /nfs/dbraw/zinc/36/32/31/634363231.db2.gz CKPDSECHBACOAP-WDEREUQCSA-N 3 2 215.341 0.082 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000925768908 635190624 /nfs/dbraw/zinc/19/06/24/635190624.db2.gz MEGGLJFSSIUHHQ-OPRDCNLKSA-N 2 2 246.376 0.292 20 0 BCADLP [NH3+][C@@H]1CC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000258845368 635211605 /nfs/dbraw/zinc/21/16/05/635211605.db2.gz KHZMNKLLQRMSJC-CHWSQXEVSA-N 2 2 220.316 0.623 20 0 BCADLP [NH3+][C@@H]1CC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000258845368 635211611 /nfs/dbraw/zinc/21/16/11/635211611.db2.gz KHZMNKLLQRMSJC-CHWSQXEVSA-N 2 2 220.316 0.623 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222706824 635359232 /nfs/dbraw/zinc/35/92/32/635359232.db2.gz UPGQKKHIQHKMPX-NWDGAFQWSA-N 2 2 241.379 0.927 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222706824 635359239 /nfs/dbraw/zinc/35/92/39/635359239.db2.gz UPGQKKHIQHKMPX-NWDGAFQWSA-N 2 2 241.379 0.927 20 0 BCADLP C[C@H]1[C@@H](NC(=O)CNc2cccc[nH+]2)CC[N@@H+]1C ZINC000928431245 635914718 /nfs/dbraw/zinc/91/47/18/635914718.db2.gz MFYXUDLXCUTUPI-QWRGUYRKSA-N 2 2 248.330 0.702 20 0 BCADLP C[C@H]1[C@@H](NC(=O)CNc2cccc[nH+]2)CC[N@H+]1C ZINC000928431245 635914720 /nfs/dbraw/zinc/91/47/20/635914720.db2.gz MFYXUDLXCUTUPI-QWRGUYRKSA-N 2 2 248.330 0.702 20 0 BCADLP CC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000984961794 636238810 /nfs/dbraw/zinc/23/88/10/636238810.db2.gz VYGPGXMGAUABBA-MGCOHNPYSA-N 2 2 236.319 0.457 20 0 BCADLP C[C@@H](C[NH2+]CC1CC[NH+](C)CC1)[NH+](C)C ZINC000054243369 636242619 /nfs/dbraw/zinc/24/26/19/636242619.db2.gz KCDIIBFCECISEQ-NSHDSACASA-N 3 2 213.369 0.868 20 0 BCADLP Cc1[nH]c(CNC(=O)[C@H]2CCC[N@H+]2C)[nH+]c1C ZINC000896908164 636251253 /nfs/dbraw/zinc/25/12/53/636251253.db2.gz XJPPDVCVAWDWLP-SNVBAGLBSA-N 2 2 236.319 0.737 20 0 BCADLP Cc1[nH]c(CNC(=O)[C@H]2CCC[N@@H+]2C)[nH+]c1C ZINC000896908164 636251256 /nfs/dbraw/zinc/25/12/56/636251256.db2.gz XJPPDVCVAWDWLP-SNVBAGLBSA-N 2 2 236.319 0.737 20 0 BCADLP CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC000987059405 636619899 /nfs/dbraw/zinc/61/98/99/636619899.db2.gz QPEADOSVJCNYPK-MWLCHTKSSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@@H](CO)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925278894 636703736 /nfs/dbraw/zinc/70/37/36/636703736.db2.gz IEXAJZRIPZNLJM-SDDRHHMPSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@@H](CO)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925278894 636703745 /nfs/dbraw/zinc/70/37/45/636703745.db2.gz IEXAJZRIPZNLJM-SDDRHHMPSA-N 2 2 212.337 0.974 20 0 BCADLP CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000989493158 636859181 /nfs/dbraw/zinc/85/91/81/636859181.db2.gz RNGWNUMKFPLDLH-ONGXEEELSA-N 2 2 236.319 0.551 20 0 BCADLP CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000989493153 636859589 /nfs/dbraw/zinc/85/95/89/636859589.db2.gz RNGWNUMKFPLDLH-GXSJLCMTSA-N 2 2 236.319 0.551 20 0 BCADLP CON1CCC([NH2+][C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000323461954 636966972 /nfs/dbraw/zinc/96/69/72/636966972.db2.gz HPQSUBJDWZOCFS-NSHDSACASA-N 2 2 238.335 0.887 20 0 BCADLP C[C@]1(C[NH2+]Cc2cnc(N)cn2)CCC[NH2+]C1 ZINC000873211880 636980455 /nfs/dbraw/zinc/98/04/55/636980455.db2.gz FXLXORUMGDMOSR-LBPRGKRZSA-N 2 2 235.335 0.538 20 0 BCADLP C[C@@H](C(=O)N[C@H]1CCC[N@H+](CCF)C1)[NH+](C)C ZINC000898502710 637046016 /nfs/dbraw/zinc/04/60/16/637046016.db2.gz CHTFXEJZACZOCV-QWRGUYRKSA-N 2 2 245.342 0.487 20 0 BCADLP C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCF)C1)[NH+](C)C ZINC000898502710 637046019 /nfs/dbraw/zinc/04/60/19/637046019.db2.gz CHTFXEJZACZOCV-QWRGUYRKSA-N 2 2 245.342 0.487 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCCON)C[N@@H+]1C1CC1 ZINC000902418921 637303723 /nfs/dbraw/zinc/30/37/23/637303723.db2.gz OSRVJIFZTXNREU-VHSXEESVSA-N 2 2 213.325 0.482 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCCON)C[N@H+]1C1CC1 ZINC000902418921 637303732 /nfs/dbraw/zinc/30/37/32/637303732.db2.gz OSRVJIFZTXNREU-VHSXEESVSA-N 2 2 213.325 0.482 20 0 BCADLP CC1(C)C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1[NH3+] ZINC000903559760 637367729 /nfs/dbraw/zinc/36/77/29/637367729.db2.gz GKCQDLZTBAOKKO-NXEZZACHSA-N 2 2 235.335 0.435 20 0 BCADLP CC1(C)C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1[NH3+] ZINC000903559760 637367735 /nfs/dbraw/zinc/36/77/35/637367735.db2.gz GKCQDLZTBAOKKO-NXEZZACHSA-N 2 2 235.335 0.435 20 0 BCADLP [NH3+]C1(C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000904445611 637414881 /nfs/dbraw/zinc/41/48/81/637414881.db2.gz XSCPCCQTMZZLTK-UHFFFAOYSA-N 3 2 237.372 0.975 20 0 BCADLP [NH3+]C1(C[NH2+]Cc2cccc3c2OCO3)CC1 ZINC000904451019 637416698 /nfs/dbraw/zinc/41/66/98/637416698.db2.gz VRSUNPRILISFCN-UHFFFAOYSA-N 2 2 220.272 0.996 20 0 BCADLP COC(=O)c1ccc(C[NH2+]CC2([NH3+])CC2)[nH]1 ZINC000904450015 637417717 /nfs/dbraw/zinc/41/77/17/637417717.db2.gz PCCXLELNPFTFCQ-UHFFFAOYSA-N 2 2 223.276 0.382 20 0 BCADLP C[C@](O)(C[NH2+][C@H]1CCn2cc[nH+]c2C1)C(F)F ZINC000905216820 637700323 /nfs/dbraw/zinc/70/03/23/637700323.db2.gz HTBYSZILVSWOIY-KWQFWETISA-N 2 2 245.273 0.804 20 0 BCADLP C[N@H+](C[C@H](O)C[NH2+]C/C=C/Cl)C1CC1 ZINC000905707432 637891120 /nfs/dbraw/zinc/89/11/20/637891120.db2.gz JLMMIIFUGDVAPG-JYBNPQIESA-N 2 2 218.728 0.784 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH2+]C/C=C/Cl)C1CC1 ZINC000905707432 637891121 /nfs/dbraw/zinc/89/11/21/637891121.db2.gz JLMMIIFUGDVAPG-JYBNPQIESA-N 2 2 218.728 0.784 20 0 BCADLP O[C@@H](C[NH2+]C/C=C/Cl)C[NH+]1CCCC1 ZINC000905709005 637892232 /nfs/dbraw/zinc/89/22/32/637892232.db2.gz UVMHLEQJLJIKMI-FSIBCCDJSA-N 2 2 218.728 0.785 20 0 BCADLP C[NH2+][C@@H](C)c1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905815492 637942757 /nfs/dbraw/zinc/94/27/57/637942757.db2.gz IUHPXWGXCDGRGA-QMMMGPOBSA-N 2 2 232.291 0.584 20 0 BCADLP Nc1ccc(Cn2cc(C[NH2+]C3CC3)nn2)c[nH+]1 ZINC000905817757 637944747 /nfs/dbraw/zinc/94/47/47/637944747.db2.gz STRCYCNBMRKRCL-UHFFFAOYSA-N 2 2 244.302 0.556 20 0 BCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC000908288927 638634680 /nfs/dbraw/zinc/63/46/80/638634680.db2.gz FXLJWKCCMOOOKD-MNOVXSKESA-N 2 2 248.330 0.362 20 0 BCADLP C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC000908288927 638634684 /nfs/dbraw/zinc/63/46/84/638634684.db2.gz FXLJWKCCMOOOKD-MNOVXSKESA-N 2 2 248.330 0.362 20 0 BCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000908445020 638720146 /nfs/dbraw/zinc/72/01/46/638720146.db2.gz ZOIQJTYDVVNYGV-NSHDSACASA-N 2 2 236.319 0.505 20 0 BCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000908445020 638720148 /nfs/dbraw/zinc/72/01/48/638720148.db2.gz ZOIQJTYDVVNYGV-NSHDSACASA-N 2 2 236.319 0.505 20 0 BCADLP C[NH+](C)C1(CNC(=O)CNc2cccc[nH+]2)CC1 ZINC000910931724 639533569 /nfs/dbraw/zinc/53/35/69/639533569.db2.gz RKHTZSRSPSIYOH-UHFFFAOYSA-N 2 2 248.330 0.704 20 0 BCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911620056 639683839 /nfs/dbraw/zinc/68/38/39/639683839.db2.gz PAKMFVOTARARCR-VHSXEESVSA-N 2 2 236.319 0.538 20 0 BCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911620056 639683843 /nfs/dbraw/zinc/68/38/43/639683843.db2.gz PAKMFVOTARARCR-VHSXEESVSA-N 2 2 236.319 0.538 20 0 BCADLP [NH3+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC000911646810 639698224 /nfs/dbraw/zinc/69/82/24/639698224.db2.gz BAXWGPXBJSVRFT-UHFFFAOYSA-N 2 2 236.319 0.730 20 0 BCADLP [NH3+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000911651923 639707839 /nfs/dbraw/zinc/70/78/39/639707839.db2.gz HDJTYVMJSSZTHX-SECBINFHSA-N 2 2 230.271 0.736 20 0 BCADLP [NH3+][C@@H](CC(=O)NCC1([NH3+])CCCCC1)C(F)F ZINC000911652952 639709218 /nfs/dbraw/zinc/70/92/18/639709218.db2.gz ZIDLJDMNKPFFGO-QMMMGPOBSA-N 2 2 249.305 0.747 20 0 BCADLP O=C(N[C@H]1CC[NH2+]C1)c1cc2c[nH+]ccc2[nH]1 ZINC000911697359 639729915 /nfs/dbraw/zinc/72/99/15/639729915.db2.gz AJEDGVCWFISYRY-VIFPVBQESA-N 2 2 230.271 0.655 20 0 BCADLP C[C@H]([NH3+])CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000911741622 639768707 /nfs/dbraw/zinc/76/87/07/639768707.db2.gz UUJSXOIMCZLWDP-UWVGGRQHSA-N 2 2 236.319 0.299 20 0 BCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911752027 639780158 /nfs/dbraw/zinc/78/01/58/639780158.db2.gz SFRXFIBVBSNDQU-HBNTYKKESA-N 2 2 248.330 0.392 20 0 BCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911752646 639781125 /nfs/dbraw/zinc/78/11/25/639781125.db2.gz XJZXHWLUBRAABE-VHSXEESVSA-N 2 2 236.319 0.457 20 0 BCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911752646 639781133 /nfs/dbraw/zinc/78/11/33/639781133.db2.gz XJZXHWLUBRAABE-VHSXEESVSA-N 2 2 236.319 0.457 20 0 BCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911752648 639781333 /nfs/dbraw/zinc/78/13/33/639781333.db2.gz XJZXHWLUBRAABE-ZJUUUORDSA-N 2 2 236.319 0.457 20 0 BCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911752648 639781342 /nfs/dbraw/zinc/78/13/42/639781342.db2.gz XJZXHWLUBRAABE-ZJUUUORDSA-N 2 2 236.319 0.457 20 0 BCADLP [NH3+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000911733702 639789569 /nfs/dbraw/zinc/78/95/69/639789569.db2.gz AOBYNKBPGAUEAA-VIFPVBQESA-N 2 2 244.298 0.984 20 0 BCADLP CC(C)[NH2+]CCCNC(=O)C[C@@H]([NH3+])C(F)F ZINC000911763585 639790835 /nfs/dbraw/zinc/79/08/35/639790835.db2.gz KSMLFAYUKBQSQF-MRVPVSSYSA-N 2 2 237.294 0.473 20 0 BCADLP [NH3+][C@H](CC(=O)NCC[C@@H]1CC[NH2+]C1)C(F)F ZINC000911769951 639793998 /nfs/dbraw/zinc/79/39/98/639793998.db2.gz XKCDVWVYTIRGDA-JGVFFNPUSA-N 2 2 235.278 0.085 20 0 BCADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[NH2+]C1 ZINC000911781863 639797878 /nfs/dbraw/zinc/79/78/78/639797878.db2.gz CKIPUXXHMRBWMF-GHMZBOCLSA-N 2 2 248.330 0.266 20 0 BCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CC[NH2+]C1 ZINC000911783695 639800098 /nfs/dbraw/zinc/80/00/98/639800098.db2.gz XUWZMTKUGCMJSQ-GMTAPVOTSA-N 2 2 248.330 0.344 20 0 BCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[NH2+]1 ZINC000911801583 639822331 /nfs/dbraw/zinc/82/23/31/639822331.db2.gz CXJRGBCNVRYLSM-GHMZBOCLSA-N 2 2 248.330 0.266 20 0 BCADLP C[C@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC[NH2+]1 ZINC000911801585 639823026 /nfs/dbraw/zinc/82/30/26/639823026.db2.gz CXJRGBCNVRYLSM-QWRGUYRKSA-N 2 2 248.330 0.266 20 0 BCADLP C[C@@](C[NH3+])(NC(=O)C[C@H]([NH3+])C(F)F)C1CC1 ZINC000911802345 639823938 /nfs/dbraw/zinc/82/39/38/639823938.db2.gz JCYVLGXQXPKZNS-XVKPBYJWSA-N 2 2 235.278 0.213 20 0 BCADLP C[C@@H](C[NH3+])N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000911812356 639834003 /nfs/dbraw/zinc/83/40/03/639834003.db2.gz YDUXQPJINVGVAV-UWVGGRQHSA-N 2 2 236.319 0.251 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000911819321 639836152 /nfs/dbraw/zinc/83/61/52/639836152.db2.gz CQCJDKSLNSDRSG-ZJUUUORDSA-N 2 2 236.319 0.538 20 0 BCADLP C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C[NH3+] ZINC000911827207 639838743 /nfs/dbraw/zinc/83/87/43/639838743.db2.gz UTJZWLVXARVANW-UWVGGRQHSA-N 2 2 236.319 0.538 20 0 BCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911835234 639847394 /nfs/dbraw/zinc/84/73/94/639847394.db2.gz SMMYDQCFTBAOJW-KWQFWETISA-N 2 2 236.319 0.442 20 0 BCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911835234 639847399 /nfs/dbraw/zinc/84/73/99/639847399.db2.gz SMMYDQCFTBAOJW-KWQFWETISA-N 2 2 236.319 0.442 20 0 BCADLP Cc1[nH]c(C[N@H+]2CC[C@@H](O)[C@H]2C)c(C)[nH+]1 ZINC000930653187 639847704 /nfs/dbraw/zinc/84/77/04/639847704.db2.gz ULIXNGLBHWHJQX-LDYMZIIASA-N 2 2 209.293 0.982 20 0 BCADLP Cc1[nH]c(C[N@@H+]2CC[C@@H](O)[C@H]2C)c(C)[nH+]1 ZINC000930653187 639847709 /nfs/dbraw/zinc/84/77/09/639847709.db2.gz ULIXNGLBHWHJQX-LDYMZIIASA-N 2 2 209.293 0.982 20 0 BCADLP CN(CC(C)(C)C[NH3+])C(=O)Cc1[nH]cc[nH+]1 ZINC000911865563 639851345 /nfs/dbraw/zinc/85/13/45/639851345.db2.gz TUWIRZOSGJLJAA-UHFFFAOYSA-N 2 2 224.308 0.396 20 0 BCADLP C[NH2+]C[C@H]1CCCN1C(=O)C[C@H]([NH3+])C(F)F ZINC000911867102 639851394 /nfs/dbraw/zinc/85/13/94/639851394.db2.gz FQRVRDDTLFHQQY-SFYZADRCSA-N 2 2 235.278 0.179 20 0 BCADLP CN(CC(C)(C)C[NH3+])C(=O)C[C@H]([NH3+])C(F)F ZINC000911868725 639853047 /nfs/dbraw/zinc/85/30/47/639853047.db2.gz SOMUGNBKJZMLBF-ZETCQYMHSA-N 2 2 237.294 0.412 20 0 BCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)[NH3+] ZINC000911847747 639856736 /nfs/dbraw/zinc/85/67/36/639856736.db2.gz NRTFQVDKGXONGG-QMMMGPOBSA-N 2 2 224.308 0.442 20 0 BCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)[NH3+] ZINC000911847747 639856737 /nfs/dbraw/zinc/85/67/37/639856737.db2.gz NRTFQVDKGXONGG-QMMMGPOBSA-N 2 2 224.308 0.442 20 0 BCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000911849039 639857558 /nfs/dbraw/zinc/85/75/58/639857558.db2.gz YITROFOWKNTCRM-RKDXNWHRSA-N 2 2 236.319 0.377 20 0 BCADLP [NH3+][C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C(F)F ZINC000911857406 639860159 /nfs/dbraw/zinc/86/01/59/639860159.db2.gz VOEFZDREOMZAPZ-HRDYMLBCSA-N 2 2 247.289 0.322 20 0 BCADLP CCC([NH3+])(CC)CNC(=O)C[C@@H]([NH3+])C(F)F ZINC000911857682 639862097 /nfs/dbraw/zinc/86/20/97/639862097.db2.gz IWBJLPINUCEHLM-SSDOTTSWSA-N 2 2 237.294 0.603 20 0 BCADLP CN(CC1C[NH+](C)C1)C(=O)CNc1cccc[nH+]1 ZINC000912452826 640082143 /nfs/dbraw/zinc/08/21/43/640082143.db2.gz ATXIZQLYTISROE-UHFFFAOYSA-N 2 2 248.330 0.514 20 0 BCADLP CC(=O)[C@@](C)(O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931351925 640166578 /nfs/dbraw/zinc/16/65/78/640166578.db2.gz ASDOWJYIGZNHHR-ZDUSSCGKSA-N 2 2 242.363 0.743 20 0 BCADLP Nc1cc[nH+]c2c1C[N@H+](CCCCO)CC2 ZINC000931510014 640238844 /nfs/dbraw/zinc/23/88/44/640238844.db2.gz CMORXTNXTCXBHK-UHFFFAOYSA-N 2 2 221.304 0.794 20 0 BCADLP Nc1cc[nH+]c2c1C[N@@H+](CCCCO)CC2 ZINC000931510014 640238853 /nfs/dbraw/zinc/23/88/53/640238853.db2.gz CMORXTNXTCXBHK-UHFFFAOYSA-N 2 2 221.304 0.794 20 0 BCADLP Nc1cc[nH+]c2c1C[N@H+](C[C@@H]1CCC(=O)N1)CC2 ZINC000931515602 640245869 /nfs/dbraw/zinc/24/58/69/640245869.db2.gz HBOTXYXJZLEGGZ-VIFPVBQESA-N 2 2 246.314 0.301 20 0 BCADLP Nc1cc[nH+]c2c1C[N@@H+](C[C@@H]1CCC(=O)N1)CC2 ZINC000931515602 640245873 /nfs/dbraw/zinc/24/58/73/640245873.db2.gz HBOTXYXJZLEGGZ-VIFPVBQESA-N 2 2 246.314 0.301 20 0 BCADLP C[NH+](C)C1(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)CC1 ZINC000912903081 640247165 /nfs/dbraw/zinc/24/71/65/640247165.db2.gz IAPBAIGWEAYNBM-LLVKDONJSA-N 2 2 237.347 0.387 20 0 BCADLP Nc1cc[nH+]c2c1C[N@H+](C[C@H](O)C1CC1)CC2 ZINC000931515276 640247489 /nfs/dbraw/zinc/24/74/89/640247489.db2.gz CVHLMEZBMFBJHA-ZDUSSCGKSA-N 2 2 233.315 0.793 20 0 BCADLP Nc1cc[nH+]c2c1C[N@@H+](C[C@H](O)C1CC1)CC2 ZINC000931515276 640247494 /nfs/dbraw/zinc/24/74/94/640247494.db2.gz CVHLMEZBMFBJHA-ZDUSSCGKSA-N 2 2 233.315 0.793 20 0 BCADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cnnn1C ZINC000924852614 640272466 /nfs/dbraw/zinc/27/24/66/640272466.db2.gz KGYVJNZFQURXIX-ZJUUUORDSA-N 2 2 225.340 0.806 20 0 BCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H]1CNC(=O)C1 ZINC000931718699 640334528 /nfs/dbraw/zinc/33/45/28/640334528.db2.gz DEWJQTZXHXGLQG-GRYCIOLGSA-N 2 2 237.347 0.291 20 0 BCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H]1CNC(=O)C1 ZINC000931718699 640334539 /nfs/dbraw/zinc/33/45/39/640334539.db2.gz DEWJQTZXHXGLQG-GRYCIOLGSA-N 2 2 237.347 0.291 20 0 BCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H]1CNC(=O)C1 ZINC000931718699 640334544 /nfs/dbraw/zinc/33/45/44/640334544.db2.gz DEWJQTZXHXGLQG-GRYCIOLGSA-N 2 2 237.347 0.291 20 0 BCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H]1CNC(=O)C1 ZINC000931718699 640334553 /nfs/dbraw/zinc/33/45/53/640334553.db2.gz DEWJQTZXHXGLQG-GRYCIOLGSA-N 2 2 237.347 0.291 20 0 BCADLP CC[C@H](CO)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719736 640339759 /nfs/dbraw/zinc/33/97/59/640339759.db2.gz MNQIZGZNRRMXKK-UTUOFQBUSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@H](CO)[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719736 640339763 /nfs/dbraw/zinc/33/97/63/640339763.db2.gz MNQIZGZNRRMXKK-UTUOFQBUSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@H](CO)[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931719736 640339766 /nfs/dbraw/zinc/33/97/66/640339766.db2.gz MNQIZGZNRRMXKK-UTUOFQBUSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@H](CO)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931719736 640339771 /nfs/dbraw/zinc/33/97/71/640339771.db2.gz MNQIZGZNRRMXKK-UTUOFQBUSA-N 2 2 212.337 0.926 20 0 BCADLP c1ncc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)[nH]1 ZINC000054764994 640405581 /nfs/dbraw/zinc/40/55/81/640405581.db2.gz KYVHDTCRDDVSNF-SNVBAGLBSA-N 2 2 220.320 0.984 20 0 BCADLP c1ncc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)[nH]1 ZINC000054764994 640405583 /nfs/dbraw/zinc/40/55/83/640405583.db2.gz KYVHDTCRDDVSNF-SNVBAGLBSA-N 2 2 220.320 0.984 20 0 BCADLP NC(=O)C12CCC(CC1)[N@@H+]2CCn1cc[nH+]c1 ZINC000932937979 640651469 /nfs/dbraw/zinc/65/14/69/640651469.db2.gz WQDTXAXFEYRJLV-UHFFFAOYSA-N 2 2 234.303 0.365 20 0 BCADLP NC(=O)C12CCC(CC1)[N@H+]2CCn1cc[nH+]c1 ZINC000932937979 640651473 /nfs/dbraw/zinc/65/14/73/640651473.db2.gz WQDTXAXFEYRJLV-UHFFFAOYSA-N 2 2 234.303 0.365 20 0 BCADLP Cn1cc(CC[N@@H+]2CCCC[C@H]2C[NH3+])cn1 ZINC000226419050 640762240 /nfs/dbraw/zinc/76/22/40/640762240.db2.gz MYXWYQSTZJLCCF-LBPRGKRZSA-N 2 2 222.336 0.776 20 0 BCADLP Cn1cc(CC[N@H+]2CCCC[C@H]2C[NH3+])cn1 ZINC000226419050 640762242 /nfs/dbraw/zinc/76/22/42/640762242.db2.gz MYXWYQSTZJLCCF-LBPRGKRZSA-N 2 2 222.336 0.776 20 0 BCADLP CC(C)(CC(N)=O)[NH2+]CC[NH+]1CCCC1 ZINC000230651644 641076608 /nfs/dbraw/zinc/07/66/08/641076608.db2.gz VKULFGYEXVCKCS-UHFFFAOYSA-N 2 2 213.325 0.326 20 0 BCADLP CC[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000925395923 641426199 /nfs/dbraw/zinc/42/61/99/641426199.db2.gz JEJNJLMBWBWCOI-LLVKDONJSA-N 2 2 240.351 0.038 20 0 BCADLP CC[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000925395923 641426204 /nfs/dbraw/zinc/42/62/04/641426204.db2.gz JEJNJLMBWBWCOI-LLVKDONJSA-N 2 2 240.351 0.038 20 0 BCADLP O=C(NC12CC[NH+](CC1)C2)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000913633711 641444339 /nfs/dbraw/zinc/44/43/39/641444339.db2.gz KSEBYSYGOBYDJO-LBPRGKRZSA-N 2 2 249.358 0.578 20 0 BCADLP O=C(NC12CC[NH+](CC1)C2)[C@@H]1CCC[N@H+]1C1CC1 ZINC000913633711 641444345 /nfs/dbraw/zinc/44/43/45/641444345.db2.gz KSEBYSYGOBYDJO-LBPRGKRZSA-N 2 2 249.358 0.578 20 0 BCADLP C[C@H](C[NH2+][C@@H]1COCC1(C)C)[NH+](C)C ZINC000313057672 641528549 /nfs/dbraw/zinc/52/85/49/641528549.db2.gz UVTBRWCHMPAATF-NXEZZACHSA-N 2 2 200.326 0.951 20 0 BCADLP c1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000043802466 641576363 /nfs/dbraw/zinc/57/63/63/641576363.db2.gz NOALHHPRFKPUAO-GFCCVEGCSA-N 2 2 206.289 0.765 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000225446378 641710158 /nfs/dbraw/zinc/71/01/58/641710158.db2.gz VSCJZAMNIHYDEM-HTQZYQBOSA-N 2 2 226.242 0.451 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000225446378 641710161 /nfs/dbraw/zinc/71/01/61/641710161.db2.gz VSCJZAMNIHYDEM-HTQZYQBOSA-N 2 2 226.242 0.451 20 0 BCADLP Cc1cn(C)nc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000723527403 711515191 /nfs/dbraw/zinc/51/51/91/711515191.db2.gz JCRUDVLFKMEEQJ-SNVBAGLBSA-N 2 2 208.309 0.509 20 0 BCADLP Cc1cn(C)nc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000723527403 711515192 /nfs/dbraw/zinc/51/51/92/711515192.db2.gz JCRUDVLFKMEEQJ-SNVBAGLBSA-N 2 2 208.309 0.509 20 0 BCADLP CC[NH+]1CC(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001031431076 642134659 /nfs/dbraw/zinc/13/46/59/642134659.db2.gz BQHNALCULQAYEJ-QWRGUYRKSA-N 2 2 239.363 0.680 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)C[C@H](O)CC(F)(F)F ZINC000307935426 642350155 /nfs/dbraw/zinc/35/01/55/642350155.db2.gz HJSJBGOEXBIKDT-NKWVEPMBSA-N 2 2 214.231 0.579 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@H](O)CC(F)(F)F ZINC000307935426 642350165 /nfs/dbraw/zinc/35/01/65/642350165.db2.gz HJSJBGOEXBIKDT-NKWVEPMBSA-N 2 2 214.231 0.579 20 0 BCADLP CC[N@H+](C[C@H](O)CC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000307930440 642347017 /nfs/dbraw/zinc/34/70/17/642347017.db2.gz BDKGIVXCURIGNM-DTWKUNHWSA-N 2 2 240.269 0.984 20 0 BCADLP CC[N@@H+](C[C@H](O)CC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000307930440 642347025 /nfs/dbraw/zinc/34/70/25/642347025.db2.gz BDKGIVXCURIGNM-DTWKUNHWSA-N 2 2 240.269 0.984 20 0 BCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC000962411088 642727147 /nfs/dbraw/zinc/72/71/47/642727147.db2.gz XCWLHFYKPCVZCR-IWIIMEHWSA-N 2 2 248.330 0.327 20 0 BCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC000962411088 642727160 /nfs/dbraw/zinc/72/71/60/642727160.db2.gz XCWLHFYKPCVZCR-IWIIMEHWSA-N 2 2 248.330 0.327 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](C/C=C/Cl)CCCO1 ZINC000306182191 642730503 /nfs/dbraw/zinc/73/05/03/642730503.db2.gz WRZDTRFDJMCPPK-ARLXTTGXSA-N 2 2 204.701 0.789 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](C/C=C/Cl)CCCO1 ZINC000306182191 642730512 /nfs/dbraw/zinc/73/05/12/642730512.db2.gz WRZDTRFDJMCPPK-ARLXTTGXSA-N 2 2 204.701 0.789 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+](CC2OCCO2)C1 ZINC000182404283 643015455 /nfs/dbraw/zinc/01/54/55/643015455.db2.gz JUKWIWQPUIOGIF-LLVKDONJSA-N 2 2 228.336 0.633 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC2OCCO2)C1 ZINC000182404283 643015457 /nfs/dbraw/zinc/01/54/57/643015457.db2.gz JUKWIWQPUIOGIF-LLVKDONJSA-N 2 2 228.336 0.633 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+](CC2OCCO2)C1 ZINC000182404283 643015461 /nfs/dbraw/zinc/01/54/61/643015461.db2.gz JUKWIWQPUIOGIF-LLVKDONJSA-N 2 2 228.336 0.633 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC2OCCO2)C1 ZINC000182404283 643015465 /nfs/dbraw/zinc/01/54/65/643015465.db2.gz JUKWIWQPUIOGIF-LLVKDONJSA-N 2 2 228.336 0.633 20 0 BCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]CC2CC2)C1 ZINC001019868904 643043425 /nfs/dbraw/zinc/04/34/25/643043425.db2.gz NUUYMVOQWBRFPQ-LBPRGKRZSA-N 2 2 248.330 0.484 20 0 BCADLP CC[C@](C)(O)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000252966237 643150794 /nfs/dbraw/zinc/15/07/94/643150794.db2.gz SQDOTCYXAHYHHO-WOPDTQHZSA-N 2 2 230.352 0.504 20 0 BCADLP [NH3+]C1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000082679981 643365740 /nfs/dbraw/zinc/36/57/40/643365740.db2.gz FGLKEBRYFRMZNF-SSDOTTSWSA-N 2 2 212.215 0.333 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]CCF)C1 ZINC000970340569 643417322 /nfs/dbraw/zinc/41/73/22/643417322.db2.gz CGNYTSFHYNBOPP-SECBINFHSA-N 2 2 240.282 0.112 20 0 BCADLP FCCn1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000929313271 644073851 /nfs/dbraw/zinc/07/38/51/644073851.db2.gz TWZROXURJWZMOY-VXGBXAGGSA-N 2 2 238.310 0.504 20 0 BCADLP CCO[C@@H](C[NH2+][C@@H]1CCOC1)C[NH+](C)C ZINC000922757558 644087518 /nfs/dbraw/zinc/08/75/18/644087518.db2.gz HYYPPDMDAWDENF-MNOVXSKESA-N 2 2 216.325 0.332 20 0 BCADLP CCC[N@H+](C[C@@H](O)CSC)[C@H]1CC[NH2+]C1 ZINC000923283565 644308577 /nfs/dbraw/zinc/30/85/77/644308577.db2.gz BYUUMBZTURCCGG-WDEREUQCSA-N 2 2 232.393 0.784 20 0 BCADLP CCC[N@@H+](C[C@@H](O)CSC)[C@H]1CC[NH2+]C1 ZINC000923283565 644308581 /nfs/dbraw/zinc/30/85/81/644308581.db2.gz BYUUMBZTURCCGG-WDEREUQCSA-N 2 2 232.393 0.784 20 0 BCADLP CSC[C@@H](O)C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000923280127 644311583 /nfs/dbraw/zinc/31/15/83/644311583.db2.gz DKCHNBPLZMAUPE-IUCAKERBSA-N 2 2 204.339 0.133 20 0 BCADLP CSC[C@@H](O)C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000923280127 644311587 /nfs/dbraw/zinc/31/15/87/644311587.db2.gz DKCHNBPLZMAUPE-IUCAKERBSA-N 2 2 204.339 0.133 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000923282051 644315798 /nfs/dbraw/zinc/31/57/98/644315798.db2.gz UIRMGWBDGLXIBS-CHWSQXEVSA-N 2 2 244.379 0.976 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000923282051 644315802 /nfs/dbraw/zinc/31/58/02/644315802.db2.gz UIRMGWBDGLXIBS-CHWSQXEVSA-N 2 2 244.379 0.976 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000923283035 644318492 /nfs/dbraw/zinc/31/84/92/644318492.db2.gz WXWVBDGTLOBBLN-NWDGAFQWSA-N 2 2 230.352 0.586 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000923283035 644318496 /nfs/dbraw/zinc/31/84/96/644318496.db2.gz WXWVBDGTLOBBLN-NWDGAFQWSA-N 2 2 230.352 0.586 20 0 BCADLP CC(C)COC[C@H](O)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000923293039 644330338 /nfs/dbraw/zinc/33/03/38/644330338.db2.gz PDXFMSZNGRKWQO-VXGBXAGGSA-N 2 2 230.352 0.443 20 0 BCADLP CC(C)COC[C@H](O)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000923293039 644330344 /nfs/dbraw/zinc/33/03/44/644330344.db2.gz PDXFMSZNGRKWQO-VXGBXAGGSA-N 2 2 230.352 0.443 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000923292600 644330649 /nfs/dbraw/zinc/33/06/49/644330649.db2.gz ZKFWJCBKEGGDSH-YPMHNXCESA-N 2 2 222.332 0.869 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000923292600 644330653 /nfs/dbraw/zinc/33/06/53/644330653.db2.gz ZKFWJCBKEGGDSH-YPMHNXCESA-N 2 2 222.332 0.869 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H](O)CSC ZINC000923294862 644331213 /nfs/dbraw/zinc/33/12/13/644331213.db2.gz PFJFDUTXDPYVAI-VHSXEESVSA-N 2 2 218.366 0.394 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H](O)CSC ZINC000923294862 644331218 /nfs/dbraw/zinc/33/12/18/644331218.db2.gz PFJFDUTXDPYVAI-VHSXEESVSA-N 2 2 218.366 0.394 20 0 BCADLP C[C@](C[NH3+])([NH2+]C[C@@H](O)C(F)(F)F)C1CC1 ZINC000923295442 644331634 /nfs/dbraw/zinc/33/16/34/644331634.db2.gz APLKXTSEXNVUFF-HTQZYQBOSA-N 2 2 226.242 0.627 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923294589 644332340 /nfs/dbraw/zinc/33/23/40/644332340.db2.gz KEYQKDMGEJPASZ-NEPJUHHUSA-N 3 2 239.363 0.049 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923294589 644332343 /nfs/dbraw/zinc/33/23/43/644332343.db2.gz KEYQKDMGEJPASZ-NEPJUHHUSA-N 3 2 239.363 0.049 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H](O)COCC(C)C ZINC000923294582 644333321 /nfs/dbraw/zinc/33/33/21/644333321.db2.gz KDCDSMFVGVSYGD-CHWSQXEVSA-N 2 2 244.379 0.704 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H](O)COCC(C)C ZINC000923294582 644333325 /nfs/dbraw/zinc/33/33/25/644333325.db2.gz KDCDSMFVGVSYGD-CHWSQXEVSA-N 2 2 244.379 0.704 20 0 BCADLP CC[C@H](CNC(C[NH3+])C[NH3+])CC(F)F ZINC000923358756 644368308 /nfs/dbraw/zinc/36/83/08/644368308.db2.gz HJBDFNLVAYHMJI-ZETCQYMHSA-N 2 2 209.284 0.543 20 0 BCADLP CC[C@H](C[NH2+]C(CN)C[NH3+])CC(F)F ZINC000923358756 644368309 /nfs/dbraw/zinc/36/83/09/644368309.db2.gz HJBDFNLVAYHMJI-ZETCQYMHSA-N 2 2 209.284 0.543 20 0 BCADLP CCOCC[C@H](O)C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000923367070 644379400 /nfs/dbraw/zinc/37/94/00/644379400.db2.gz ROAFBTPYROMYQK-DCAQKATOSA-N 2 2 216.325 0.053 20 0 BCADLP CCOCC[C@H](O)C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000923367070 644379404 /nfs/dbraw/zinc/37/94/04/644379404.db2.gz ROAFBTPYROMYQK-DCAQKATOSA-N 2 2 216.325 0.053 20 0 BCADLP CCOCC[C@@H](O)C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000923381740 644394572 /nfs/dbraw/zinc/39/45/72/644394572.db2.gz WGPKZLUMPUOKPR-CHWSQXEVSA-N 2 2 242.363 0.602 20 0 BCADLP CCOCC[C@@H](O)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000923381740 644394575 /nfs/dbraw/zinc/39/45/75/644394575.db2.gz WGPKZLUMPUOKPR-CHWSQXEVSA-N 2 2 242.363 0.602 20 0 BCADLP CCOCCOCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000923398319 644404759 /nfs/dbraw/zinc/40/47/59/644404759.db2.gz KQEJMVDAMGYULU-CHWSQXEVSA-N 2 2 242.363 0.853 20 0 BCADLP CCOCCOCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000923398319 644404762 /nfs/dbraw/zinc/40/47/62/644404762.db2.gz KQEJMVDAMGYULU-CHWSQXEVSA-N 2 2 242.363 0.853 20 0 BCADLP CCOCCOCC[N@H+](CC)CC[NH3+] ZINC000923399954 644407700 /nfs/dbraw/zinc/40/77/00/644407700.db2.gz TWNFESADLAQASQ-UHFFFAOYSA-N 2 2 204.314 0.320 20 0 BCADLP CCOCCOCC[N@@H+](CC)CC[NH3+] ZINC000923399954 644407703 /nfs/dbraw/zinc/40/77/03/644407703.db2.gz TWNFESADLAQASQ-UHFFFAOYSA-N 2 2 204.314 0.320 20 0 BCADLP C[N@@H+](Cc1ncc[nH]1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923416766 644409448 /nfs/dbraw/zinc/40/94/48/644409448.db2.gz ZGSPGNPJBLIAEN-SNVBAGLBSA-N 2 2 236.319 0.220 20 0 BCADLP C[N@H+](Cc1ncc[nH]1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923416766 644409450 /nfs/dbraw/zinc/40/94/50/644409450.db2.gz ZGSPGNPJBLIAEN-SNVBAGLBSA-N 2 2 236.319 0.220 20 0 BCADLP C[N@@H+](Cc1ncc[nH]1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923416765 644409928 /nfs/dbraw/zinc/40/99/28/644409928.db2.gz ZGSPGNPJBLIAEN-JTQLQIEISA-N 2 2 236.319 0.220 20 0 BCADLP C[N@H+](Cc1ncc[nH]1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923416765 644409934 /nfs/dbraw/zinc/40/99/34/644409934.db2.gz ZGSPGNPJBLIAEN-JTQLQIEISA-N 2 2 236.319 0.220 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H](O)COc1ccccc1 ZINC000923409683 644410895 /nfs/dbraw/zinc/41/08/95/644410895.db2.gz QXIAXNILAXXXMG-NWDGAFQWSA-N 2 2 238.331 0.705 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H](O)COc1ccccc1 ZINC000923409683 644410897 /nfs/dbraw/zinc/41/08/97/644410897.db2.gz QXIAXNILAXXXMG-NWDGAFQWSA-N 2 2 238.331 0.705 20 0 BCADLP CC(C)COC[C@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC000923408146 644411607 /nfs/dbraw/zinc/41/16/07/644411607.db2.gz AHAJUJSTJHLMKT-WDEREUQCSA-N 2 2 218.341 0.299 20 0 BCADLP CC(C)COC[C@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC000923408146 644411613 /nfs/dbraw/zinc/41/16/13/644411613.db2.gz AHAJUJSTJHLMKT-WDEREUQCSA-N 2 2 218.341 0.299 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](C)C[C@@H](O)COc1ccccc1 ZINC000923409685 644412093 /nfs/dbraw/zinc/41/20/93/644412093.db2.gz QXIAXNILAXXXMG-VXGBXAGGSA-N 2 2 238.331 0.705 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@@H](O)COc1ccccc1 ZINC000923409685 644412097 /nfs/dbraw/zinc/41/20/97/644412097.db2.gz QXIAXNILAXXXMG-VXGBXAGGSA-N 2 2 238.331 0.705 20 0 BCADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000923423254 644419668 /nfs/dbraw/zinc/41/96/68/644419668.db2.gz WVDWVNBMQGSNDW-QWRGUYRKSA-N 3 2 211.353 0.844 20 0 BCADLP CCOCCOCC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000923411533 644413655 /nfs/dbraw/zinc/41/36/55/644413655.db2.gz CMWJFKGAEUOBEY-WDEREUQCSA-N 2 2 216.325 0.461 20 0 BCADLP CCOCCOCC[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000923411533 644413661 /nfs/dbraw/zinc/41/36/61/644413661.db2.gz CMWJFKGAEUOBEY-WDEREUQCSA-N 2 2 216.325 0.461 20 0 BCADLP CSC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000923414460 644417492 /nfs/dbraw/zinc/41/74/92/644417492.db2.gz WQQFWUAEHJBHRQ-XHNCKOQMSA-N 2 2 204.339 0.132 20 0 BCADLP CSC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000923414460 644417497 /nfs/dbraw/zinc/41/74/97/644417497.db2.gz WQQFWUAEHJBHRQ-XHNCKOQMSA-N 2 2 204.339 0.132 20 0 BCADLP C[NH2+]CC[N@H+](C[C@H](O)Cn1cccn1)C(C)C ZINC000923433529 644427016 /nfs/dbraw/zinc/42/70/16/644427016.db2.gz UREHYOPDSKOIKL-LBPRGKRZSA-N 2 2 240.351 0.174 20 0 BCADLP C[NH2+]CC[N@@H+](C[C@H](O)Cn1cccn1)C(C)C ZINC000923433529 644427021 /nfs/dbraw/zinc/42/70/21/644427021.db2.gz UREHYOPDSKOIKL-LBPRGKRZSA-N 2 2 240.351 0.174 20 0 BCADLP C(C[N@@H+]1CCNCC[NH2+]CC1)[C@H]1CCCO1 ZINC000923460045 644444401 /nfs/dbraw/zinc/44/44/01/644444401.db2.gz OZXCEDNAQKXGCB-GFCCVEGCSA-N 2 2 227.352 0.050 20 0 BCADLP C(C[N@H+]1CCNCC[NH2+]CC1)[C@H]1CCCO1 ZINC000923460045 644444405 /nfs/dbraw/zinc/44/44/05/644444405.db2.gz OZXCEDNAQKXGCB-GFCCVEGCSA-N 2 2 227.352 0.050 20 0 BCADLP C(CN1CC[NH2+]CC[NH2+]CC1)[C@H]1CCCO1 ZINC000923460045 644444410 /nfs/dbraw/zinc/44/44/10/644444410.db2.gz OZXCEDNAQKXGCB-GFCCVEGCSA-N 2 2 227.352 0.050 20 0 BCADLP COC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923529570 644484680 /nfs/dbraw/zinc/48/46/80/644484680.db2.gz AJHXRVOTIAARKK-RYUDHWBXSA-N 2 2 228.336 0.212 20 0 BCADLP COC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923529570 644484686 /nfs/dbraw/zinc/48/46/86/644484686.db2.gz AJHXRVOTIAARKK-RYUDHWBXSA-N 2 2 228.336 0.212 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C1([NH+](C)C)CCC1 ZINC000763058693 644655558 /nfs/dbraw/zinc/65/55/58/644655558.db2.gz QOLGIBJDAKSZHU-UHFFFAOYSA-N 2 2 236.319 0.819 20 0 BCADLP C[N@H+](CC(F)F)C1CCN(C(=O)CC[NH3+])CC1 ZINC000844188557 645317422 /nfs/dbraw/zinc/31/74/22/645317422.db2.gz VPEZPJQXJDGBOO-UHFFFAOYSA-N 2 2 249.305 0.523 20 0 BCADLP C[N@@H+](CC(F)F)C1CCN(C(=O)CC[NH3+])CC1 ZINC000844188557 645317425 /nfs/dbraw/zinc/31/74/25/645317425.db2.gz VPEZPJQXJDGBOO-UHFFFAOYSA-N 2 2 249.305 0.523 20 0 BCADLP C[C@H]1[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1C ZINC000928443009 645769761 /nfs/dbraw/zinc/76/97/61/645769761.db2.gz SBWTXWWABMMOTM-GXSJLCMTSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@H]1[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1C ZINC000928443009 645769771 /nfs/dbraw/zinc/76/97/71/645769771.db2.gz SBWTXWWABMMOTM-GXSJLCMTSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@H]1[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000928443009 645769776 /nfs/dbraw/zinc/76/97/76/645769776.db2.gz SBWTXWWABMMOTM-GXSJLCMTSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@H]1[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000928443009 645769788 /nfs/dbraw/zinc/76/97/88/645769788.db2.gz SBWTXWWABMMOTM-GXSJLCMTSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@@H]1[C@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1C ZINC000928445765 645771719 /nfs/dbraw/zinc/77/17/19/645771719.db2.gz FFONAKCXGNJJKN-GHMZBOCLSA-N 2 2 236.319 0.482 20 0 BCADLP C[C@@H]1[C@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1C ZINC000928445765 645771729 /nfs/dbraw/zinc/77/17/29/645771729.db2.gz FFONAKCXGNJJKN-GHMZBOCLSA-N 2 2 236.319 0.482 20 0 BCADLP C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000928553530 645809740 /nfs/dbraw/zinc/80/97/40/645809740.db2.gz BSBLMGZIUUVHMG-QWRGUYRKSA-N 2 2 248.330 0.266 20 0 BCADLP C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000928553530 645809745 /nfs/dbraw/zinc/80/97/45/645809745.db2.gz BSBLMGZIUUVHMG-QWRGUYRKSA-N 2 2 248.330 0.266 20 0 BCADLP COC(=O)c1ccc(C[NH2+]C2CC[NH2+]CC2)o1 ZINC000929065864 645931686 /nfs/dbraw/zinc/93/16/86/645931686.db2.gz ZEYFNANCDGEQFB-UHFFFAOYSA-N 2 2 238.287 0.908 20 0 BCADLP C[NH+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000929163189 645981952 /nfs/dbraw/zinc/98/19/52/645981952.db2.gz ZJLLQBZCPYVSNU-UHFFFAOYSA-N 2 2 232.287 0.854 20 0 BCADLP C[NH+](C)C1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000929260160 646044084 /nfs/dbraw/zinc/04/40/84/646044084.db2.gz BIICPZXAAVNRCG-LBPRGKRZSA-N 2 2 228.336 0.428 20 0 BCADLP CCC[C@H](O)C[NH2+][C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000925043964 646164416 /nfs/dbraw/zinc/16/44/16/646164416.db2.gz YDZWNLICGJIINM-SRVKXCTJSA-N 2 2 212.337 0.831 20 0 BCADLP CCC[C@H](O)C[NH2+][C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000925043964 646164420 /nfs/dbraw/zinc/16/44/20/646164420.db2.gz YDZWNLICGJIINM-SRVKXCTJSA-N 2 2 212.337 0.831 20 0 BCADLP Cc1[nH+]ccn1CCC[NH2+][C@H]1CNCCOC1 ZINC000925473696 646288863 /nfs/dbraw/zinc/28/88/63/646288863.db2.gz OKYUKVLKBGKAMV-LBPRGKRZSA-N 2 2 238.335 0.160 20 0 BCADLP CCCNC(=O)CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925494561 646301699 /nfs/dbraw/zinc/30/16/99/646301699.db2.gz KHCJQQLSDHJHLQ-SNVBAGLBSA-N 2 2 227.352 0.633 20 0 BCADLP CCCNC(=O)CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925496958 646301771 /nfs/dbraw/zinc/30/17/71/646301771.db2.gz YJLIFSWPRTVGKO-NSHDSACASA-N 2 2 239.363 0.777 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC000925499506 646304486 /nfs/dbraw/zinc/30/44/86/646304486.db2.gz ZPVCCKDQOSZVHP-NWDGAFQWSA-N 2 2 242.363 0.912 20 0 BCADLP COCCCCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925528546 646316930 /nfs/dbraw/zinc/31/69/30/646316930.db2.gz FINFHPOZPKFNAW-LLVKDONJSA-N 2 2 216.325 0.381 20 0 BCADLP OCCC1(C[NH2+][C@H]2C[NH2+]CCOC2)CCCC1 ZINC000925527237 646317725 /nfs/dbraw/zinc/31/77/25/646317725.db2.gz MZAFDDHFYMYGKV-LBPRGKRZSA-N 2 2 242.363 0.507 20 0 BCADLP C(C[NH2+][C@@H]1C[NH2+]CCOC1)COC1CCCC1 ZINC000925531492 646320520 /nfs/dbraw/zinc/32/05/20/646320520.db2.gz KWIVGRFQABHLJC-GFCCVEGCSA-N 2 2 242.363 0.914 20 0 BCADLP COC1CCC(C[NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925543405 646323627 /nfs/dbraw/zinc/32/36/27/646323627.db2.gz SDHQSRUXQPQNHW-CPCZMJQVSA-N 2 2 242.363 0.770 20 0 BCADLP COC1CCC(C[NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925543406 646324337 /nfs/dbraw/zinc/32/43/37/646324337.db2.gz SDHQSRUXQPQNHW-OTTFEQOBSA-N 2 2 242.363 0.770 20 0 BCADLP COCCOCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925565438 646337583 /nfs/dbraw/zinc/33/75/83/646337583.db2.gz RCOYETBITMVZEO-SNVBAGLBSA-N 2 2 216.325 0.380 20 0 BCADLP CCn1cnnc1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925570964 646339166 /nfs/dbraw/zinc/33/91/66/646339166.db2.gz CBINSBRQIQMWID-LLVKDONJSA-N 2 2 249.362 0.715 20 0 BCADLP C[C@@H]([NH3+])[C@@H]([NH2+][C@H](C)CC(N)=O)c1ccccc1 ZINC000925574667 646342731 /nfs/dbraw/zinc/34/27/31/646342731.db2.gz SRJPYCGSRFLBSL-GIPNMCIBSA-N 2 2 235.331 0.928 20 0 BCADLP CCc1nc(CC[NH2+][C@H]2CCC[NH2+][C@@H]2C)no1 ZINC000925590307 646348465 /nfs/dbraw/zinc/34/84/65/646348465.db2.gz OWKMNXZMPAFHDX-ZJUUUORDSA-N 2 2 238.335 0.905 20 0 BCADLP CC(C)COC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925612109 646360190 /nfs/dbraw/zinc/36/01/90/646360190.db2.gz ISLWDSDSINLNNF-NWDGAFQWSA-N 2 2 244.379 0.750 20 0 BCADLP COC[C@H](CCO)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925611340 646360496 /nfs/dbraw/zinc/36/04/96/646360496.db2.gz LIABOYCTVIPXNO-QWRGUYRKSA-N 2 2 228.336 0.258 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000925613144 646362575 /nfs/dbraw/zinc/36/25/75/646362575.db2.gz AMAIEUCBDONOTA-NNYUYHANSA-N 2 2 210.321 0.654 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H](O)COCC1CC1 ZINC000925616473 646364450 /nfs/dbraw/zinc/36/44/50/646364450.db2.gz MTWKYYVPVFNBBX-VXGBXAGGSA-N 2 2 242.363 0.504 20 0 BCADLP CC(C)(CCCO)C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925617983 646365391 /nfs/dbraw/zinc/36/53/91/646365391.db2.gz YRNLYIMIRMTFNW-LLVKDONJSA-N 2 2 230.352 0.363 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000925616083 646365824 /nfs/dbraw/zinc/36/58/24/646365824.db2.gz QJCXQJDMDPTWOG-WCQGTBRESA-N 2 2 234.347 0.997 20 0 BCADLP C[C@H]([NH2+][C@H]1C[NH2+]CCOC1)[C@@H]1CCCOC1 ZINC000925630448 646376248 /nfs/dbraw/zinc/37/62/48/646376248.db2.gz BQMPFIIQAFUZNU-TUAOUCFPSA-N 2 2 228.336 0.380 20 0 BCADLP C[C@@H]1C[C@H](CC[NH2+][C@@H]2C[NH2+]CCOC2)CCO1 ZINC000925637644 646380396 /nfs/dbraw/zinc/38/03/96/646380396.db2.gz PERSBPATUFXPQY-JHJVBQTASA-N 2 2 242.363 0.770 20 0 BCADLP C1CC1[C@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CCOC2)CCO1 ZINC000925640294 646381740 /nfs/dbraw/zinc/38/17/40/646381740.db2.gz RMTJELQPGMCWBD-JHJVBQTASA-N 2 2 240.347 0.522 20 0 BCADLP CC(C)[C@H]([NH2+][C@H]1C[NH2+]CCOC1)C(C)(C)O ZINC000925655996 646393996 /nfs/dbraw/zinc/39/39/96/646393996.db2.gz CKXSVPMURLAILV-QWRGUYRKSA-N 2 2 230.352 0.360 20 0 BCADLP FC1(F)CC[C@@H](C[NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925657919 646394291 /nfs/dbraw/zinc/39/42/91/646394291.db2.gz VHLTYDDSINKGQR-ZJUUUORDSA-N 2 2 234.290 1.000 20 0 BCADLP Cn1ncc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925670047 646400949 /nfs/dbraw/zinc/40/09/49/646400949.db2.gz GGISXCMTXZBZGC-NXEZZACHSA-N 2 2 237.351 0.811 20 0 BCADLP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925699021 646422936 /nfs/dbraw/zinc/42/29/36/646422936.db2.gz IJAXWSVFHZMPPS-AVGNSLFASA-N 3 2 241.379 0.330 20 0 BCADLP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925722779 646448647 /nfs/dbraw/zinc/44/86/47/646448647.db2.gz YNNIHQYQMZCIOW-YUSALJHKSA-N 2 2 225.336 0.337 20 0 BCADLP C(C[C@H]1CCSC1)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925725165 646449422 /nfs/dbraw/zinc/44/94/22/646449422.db2.gz QSYNCWRRLIMZNO-QWRGUYRKSA-N 2 2 230.377 0.708 20 0 BCADLP CCC[C@@H](CCO)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925724778 646450519 /nfs/dbraw/zinc/45/05/19/646450519.db2.gz MUSQBGDWIASPQF-QWRGUYRKSA-N 2 2 216.325 0.116 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCN(C)CC(F)F ZINC000925724313 646450742 /nfs/dbraw/zinc/45/07/42/646450742.db2.gz IZZSFNCDGFHYKV-NXEZZACHSA-N 2 2 235.322 0.913 20 0 BCADLP C([NH2+][C@H]1C[NH2+]CCOC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925726989 646452403 /nfs/dbraw/zinc/45/24/03/646452403.db2.gz MNIICGIXIXBSFZ-RNJOBUHISA-N 3 2 239.363 0.095 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC(C)(C)[NH3+] ZINC000925737937 646453473 /nfs/dbraw/zinc/45/34/73/646453473.db2.gz RCPJLOBHOZDMQS-MNOVXSKESA-N 3 2 229.368 0.470 20 0 BCADLP CC(C)([NH3+])CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925738390 646461045 /nfs/dbraw/zinc/46/10/45/646461045.db2.gz TUFVGSBDKDCUAL-UWVGGRQHSA-N 3 2 211.353 0.973 20 0 BCADLP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925772266 646469024 /nfs/dbraw/zinc/46/90/24/646469024.db2.gz HMTPDJJHRFVLEN-QNWJLWSRSA-N 2 2 224.348 0.857 20 0 BCADLP C([NH2+][C@@H]1C[NH2+]CCOC1)[C@]12CCC[C@H]1OCC2 ZINC000925834904 646502292 /nfs/dbraw/zinc/50/22/92/646502292.db2.gz ZWLPRBKNLOMKMW-JHJVBQTASA-N 2 2 240.347 0.524 20 0 BCADLP Cc1cc(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)nn1C ZINC000925834690 646503593 /nfs/dbraw/zinc/50/35/93/646503593.db2.gz NWUVNYVZGAZKLD-MFKMUULPSA-N 2 2 236.363 0.859 20 0 BCADLP Cc1cc(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)nn1C ZINC000925834689 646503673 /nfs/dbraw/zinc/50/36/73/646503673.db2.gz NWUVNYVZGAZKLD-GXFFZTMASA-N 2 2 236.363 0.859 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CCOC2)CCS1 ZINC000925860700 646514982 /nfs/dbraw/zinc/51/49/82/646514982.db2.gz JTHGOIZYHGCRDH-GMTAPVOTSA-N 2 2 230.377 0.849 20 0 BCADLP C1C[C@H]2C[C@@H]([NH2+][C@@H]3CNOC3)CC[N@@H+]2C1 ZINC000925863943 646516714 /nfs/dbraw/zinc/51/67/14/646516714.db2.gz CDOYFWYNQUASSM-AXFHLTTASA-N 2 2 211.309 0.106 20 0 BCADLP C1C[C@H]2C[C@@H]([NH2+][C@@H]3CNOC3)CC[N@H+]2C1 ZINC000925863943 646516721 /nfs/dbraw/zinc/51/67/21/646516721.db2.gz CDOYFWYNQUASSM-AXFHLTTASA-N 2 2 211.309 0.106 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CNOC2)[C@H](C)C1 ZINC000925869770 646520081 /nfs/dbraw/zinc/52/00/81/646520081.db2.gz JQZRJOIXJHUEAG-OUAUKWLOSA-N 2 2 213.325 0.210 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CNOC2)[C@H](C)C1 ZINC000925869770 646520088 /nfs/dbraw/zinc/52/00/88/646520088.db2.gz JQZRJOIXJHUEAG-OUAUKWLOSA-N 2 2 213.325 0.210 20 0 BCADLP CCOCCOCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000925876234 646525940 /nfs/dbraw/zinc/52/59/40/646525940.db2.gz ZMQKIQYSKZVBNY-VXGBXAGGSA-N 2 2 230.352 0.627 20 0 BCADLP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000925881233 646531400 /nfs/dbraw/zinc/53/14/00/646531400.db2.gz GNGYIVMRTWPOLN-KFWWJZLASA-N 3 2 245.370 0.997 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H](O)c1ccnn1C ZINC000925890460 646533543 /nfs/dbraw/zinc/53/35/43/646533543.db2.gz PMWBJSSQIYMMHO-JBLDHEPKSA-N 2 2 238.335 0.184 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCc2nnn(C)c2C1 ZINC000925892664 646535625 /nfs/dbraw/zinc/53/56/25/646535625.db2.gz DFBZJYROSQSWDD-SCVCMEIPSA-N 2 2 249.362 0.260 20 0 BCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccns1 ZINC000926174882 646588904 /nfs/dbraw/zinc/58/89/04/646588904.db2.gz STUMFTDFZVWMTN-KOLCDFICSA-N 2 2 241.360 0.860 20 0 BCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccns1 ZINC000926174882 646588906 /nfs/dbraw/zinc/58/89/06/646588906.db2.gz STUMFTDFZVWMTN-KOLCDFICSA-N 2 2 241.360 0.860 20 0 BCADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CN3C[C@@H]1CCC3)CC2 ZINC000926228320 646599603 /nfs/dbraw/zinc/59/96/03/646599603.db2.gz GNUCGJAWBNJPSV-YNEHKIRRSA-N 2 2 246.358 0.882 20 0 BCADLP COC[C@H](O)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926370533 646628644 /nfs/dbraw/zinc/62/86/44/646628644.db2.gz FMIVOLKIJUSXAN-AGIUHOORSA-N 2 2 242.363 0.600 20 0 BCADLP COC[C@H](O)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926370533 646628648 /nfs/dbraw/zinc/62/86/48/646628648.db2.gz FMIVOLKIJUSXAN-AGIUHOORSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cnnn1C ZINC000926448824 646640273 /nfs/dbraw/zinc/64/02/73/646640273.db2.gz CKESITWGEWXRHV-DTWKUNHWSA-N 2 2 246.318 0.746 20 0 BCADLP C[C@@H]1COC[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000926451361 646641417 /nfs/dbraw/zinc/64/14/17/646641417.db2.gz YXYKKTYGSQLGAH-PTRXPTGYSA-N 2 2 221.304 0.892 20 0 BCADLP COCC[C@@H](COC)[NH2+][C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926453403 646643371 /nfs/dbraw/zinc/64/33/71/646643371.db2.gz LDDQSPAYUVCTMC-AVGNSLFASA-N 2 2 242.363 0.722 20 0 BCADLP COCC[C@@H](COC)[NH2+][C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926453403 646643376 /nfs/dbraw/zinc/64/33/76/646643376.db2.gz LDDQSPAYUVCTMC-AVGNSLFASA-N 2 2 242.363 0.722 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCn1ccnc1 ZINC000396716367 711703374 /nfs/dbraw/zinc/70/33/74/711703374.db2.gz RHGZHYFMKIISSG-WDEREUQCSA-N 2 2 208.309 0.613 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cn(C)cn1 ZINC000393785012 711795505 /nfs/dbraw/zinc/79/55/05/711795505.db2.gz WVAPVYWVCRJSQO-JTQLQIEISA-N 2 2 219.292 0.795 20 0 BCADLP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ncccn2)C1 ZINC000702398601 712048677 /nfs/dbraw/zinc/04/86/77/712048677.db2.gz YVXDQQRBHZGGLW-ZJUUUORDSA-N 2 2 206.293 0.836 20 0 BCADLP CCC[NH+]1CCC([NH2+][C@@H]2CNOC2)CC1 ZINC000703348728 712072621 /nfs/dbraw/zinc/07/26/21/712072621.db2.gz FGJOEVQQDAPSKU-LLVKDONJSA-N 2 2 213.325 0.354 20 0 BCADLP C[NH2+]CC[N@H+](C)CCCCC(=O)OC ZINC000707496024 712172661 /nfs/dbraw/zinc/17/26/61/712172661.db2.gz XDOZPFCCOLFFNG-UHFFFAOYSA-N 2 2 202.298 0.481 20 0 BCADLP C[NH2+]CC[N@@H+](C)CCCCC(=O)OC ZINC000707496024 712172664 /nfs/dbraw/zinc/17/26/64/712172664.db2.gz XDOZPFCCOLFFNG-UHFFFAOYSA-N 2 2 202.298 0.481 20 0 BCADLP C[C@@H]([NH2+]CC1(C)OCCO1)[C@H]1CCCC[NH2+]1 ZINC000716888291 712580517 /nfs/dbraw/zinc/58/05/17/712580517.db2.gz NODHBQPJROVMGV-GHMZBOCLSA-N 2 2 228.336 0.870 20 0 BCADLP O=C(CC[NH2+]CC1CC1)NCCn1cc[nH+]c1 ZINC000717202153 712639087 /nfs/dbraw/zinc/63/90/87/712639087.db2.gz VWPZXULNGDZYHV-UHFFFAOYSA-N 2 2 236.319 0.389 20 0 BCADLP C[C@H](O)CC[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717427892 712658297 /nfs/dbraw/zinc/65/82/97/712658297.db2.gz XNRBFTVFQOTAQK-TUAOUCFPSA-N 2 2 212.337 0.926 20 0 BCADLP C[C@H](O)CC[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717427892 712658299 /nfs/dbraw/zinc/65/82/99/712658299.db2.gz XNRBFTVFQOTAQK-TUAOUCFPSA-N 2 2 212.337 0.926 20 0 BCADLP C[C@H](O)CC[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000717427892 712658300 /nfs/dbraw/zinc/65/83/00/712658300.db2.gz XNRBFTVFQOTAQK-TUAOUCFPSA-N 2 2 212.337 0.926 20 0 BCADLP C[C@H](O)CC[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000717427892 712658302 /nfs/dbraw/zinc/65/83/02/712658302.db2.gz XNRBFTVFQOTAQK-TUAOUCFPSA-N 2 2 212.337 0.926 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+]C1CCN(C=O)CC1 ZINC000380185529 712707087 /nfs/dbraw/zinc/70/70/87/712707087.db2.gz GULJGYSVPQUOOE-JTQLQIEISA-N 2 2 213.325 0.147 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)c1ccccc1 ZINC000037888333 712780958 /nfs/dbraw/zinc/78/09/58/712780958.db2.gz BFIIRBQZBZZHBR-OLZOCXBDSA-N 2 2 238.331 0.232 20 0 BCADLP COC(=O)/C(C)=C/C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000381328712 710622362 /nfs/dbraw/zinc/62/23/62/710622362.db2.gz SEKOCDLBJSTZCF-YOFDESEISA-N 2 2 224.304 0.257 20 0 BCADLP COC(=O)/C(C)=C/C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000381328712 710622359 /nfs/dbraw/zinc/62/23/59/710622359.db2.gz SEKOCDLBJSTZCF-YOFDESEISA-N 2 2 224.304 0.257 20 0 BCADLP C[N@H+](CCN1CCOC1=O)CC(C)(C)[NH3+] ZINC000381416562 710634457 /nfs/dbraw/zinc/63/44/57/710634457.db2.gz UZACIVZMNRZYJQ-UHFFFAOYSA-N 2 2 215.297 0.108 20 0 BCADLP C[N@@H+](CCN1CCOC1=O)CC(C)(C)[NH3+] ZINC000381416562 710634458 /nfs/dbraw/zinc/63/44/58/710634458.db2.gz UZACIVZMNRZYJQ-UHFFFAOYSA-N 2 2 215.297 0.108 20 0 BCADLP Cc1[nH+]cn(C[C@H](O)C[NH+]2CCCC2)c1C ZINC000380458269 712900809 /nfs/dbraw/zinc/90/08/09/712900809.db2.gz UBCWEVUWUULUSG-GFCCVEGCSA-N 2 2 223.320 0.957 20 0 BCADLP CC[NH+]1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001044300481 710823260 /nfs/dbraw/zinc/82/32/60/710823260.db2.gz VQEUCWBUUGTHMN-UHFFFAOYSA-N 2 2 236.319 0.354 20 0 BCADLP CC(C)[NH+]1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001044368465 710824857 /nfs/dbraw/zinc/82/48/57/710824857.db2.gz RQNHJVNTIGSJJF-UHFFFAOYSA-N 2 2 236.319 0.434 20 0 BCADLP Cn1c[nH+]cc1CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000384426166 710992905 /nfs/dbraw/zinc/99/29/05/710992905.db2.gz UTDRYVSYUKWHCU-WXDOIIRRSA-N 2 2 232.331 0.506 20 0 BCADLP COCCOCCOCC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000385241367 711008762 /nfs/dbraw/zinc/00/87/62/711008762.db2.gz LQNFGDJZWQYXMU-NWDGAFQWSA-N 2 2 246.351 0.088 20 0 BCADLP COCCOCCOCC[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000385241367 711008768 /nfs/dbraw/zinc/00/87/68/711008768.db2.gz LQNFGDJZWQYXMU-NWDGAFQWSA-N 2 2 246.351 0.088 20 0 BCADLP CN(C)C(=O)CC[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000388021319 711050370 /nfs/dbraw/zinc/05/03/70/711050370.db2.gz FKPIDZYGVZBYMH-VIFPVBQESA-N 2 2 213.325 0.134 20 0 BCADLP CN(C)C(=O)CC[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000388021319 711050373 /nfs/dbraw/zinc/05/03/73/711050373.db2.gz FKPIDZYGVZBYMH-VIFPVBQESA-N 2 2 213.325 0.134 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H]1CCOC1 ZINC000389798855 711089880 /nfs/dbraw/zinc/08/98/80/711089880.db2.gz QVEWIQYUPQEOSG-NWDGAFQWSA-N 2 2 228.336 0.164 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H]1CCOC1 ZINC000389798855 711089884 /nfs/dbraw/zinc/08/98/84/711089884.db2.gz QVEWIQYUPQEOSG-NWDGAFQWSA-N 2 2 228.336 0.164 20 0 BCADLP CC(=O)OC[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000390009132 711105092 /nfs/dbraw/zinc/10/50/92/711105092.db2.gz YFACVQWXJDKVQE-VIFPVBQESA-N 2 2 211.265 0.424 20 0 BCADLP CCN1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1=O ZINC000391626661 711140347 /nfs/dbraw/zinc/14/03/47/711140347.db2.gz XWGCTFABPQMUKN-XGEMBROFSA-N 2 2 249.358 0.193 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]([NH3+])CC1CC1 ZINC000393847507 711176861 /nfs/dbraw/zinc/17/68/61/711176861.db2.gz HFNXUDSOXGULKL-GXSJLCMTSA-N 2 2 236.319 0.515 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000396587810 711357303 /nfs/dbraw/zinc/35/73/03/711357303.db2.gz AYOOATVLPUPGEK-NWDGAFQWSA-N 3 2 229.368 0.295 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000397970414 711398583 /nfs/dbraw/zinc/39/85/83/711398583.db2.gz MLQXWFKDDHSSIH-NXEZZACHSA-N 2 2 236.319 0.515 20 0 BCADLP CCOCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000380977979 710595752 /nfs/dbraw/zinc/59/57/52/710595752.db2.gz HNIAGKQCVGVYLH-GFCCVEGCSA-N 2 2 230.352 0.411 20 0 BCADLP CCOCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000380977979 710595756 /nfs/dbraw/zinc/59/57/56/710595756.db2.gz HNIAGKQCVGVYLH-GFCCVEGCSA-N 2 2 230.352 0.411 20 0 BCADLP CC[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001045219174 710836667 /nfs/dbraw/zinc/83/66/67/710836667.db2.gz IEUMYLIELXBRKE-NSHDSACASA-N 2 2 236.319 0.553 20 0 BCADLP COC(=O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385031830 711003984 /nfs/dbraw/zinc/00/39/84/711003984.db2.gz YIXVWRQEISPGIW-IAZYJMLFSA-N 2 2 226.320 0.431 20 0 BCADLP COC(=O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385031830 711003985 /nfs/dbraw/zinc/00/39/85/711003985.db2.gz YIXVWRQEISPGIW-IAZYJMLFSA-N 2 2 226.320 0.431 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1cn(C)cn1 ZINC000396708048 711366532 /nfs/dbraw/zinc/36/65/32/711366532.db2.gz KQEHZNLEKYPILJ-JQWIXIFHSA-N 2 2 222.336 0.693 20 0 BCADLP CC[N@@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001073080276 711436836 /nfs/dbraw/zinc/43/68/36/711436836.db2.gz CXQXLHFFXWXQIM-UHFFFAOYSA-N 2 2 248.330 0.506 20 0 BCADLP CC[N@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001073080276 711436839 /nfs/dbraw/zinc/43/68/39/711436839.db2.gz CXQXLHFFXWXQIM-UHFFFAOYSA-N 2 2 248.330 0.506 20 0 BCADLP CCCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000723479374 711512498 /nfs/dbraw/zinc/51/24/98/711512498.db2.gz ATTAQLKTOBMBPU-GRYCIOLGSA-N 2 2 230.352 0.443 20 0 BCADLP CCCCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000723479374 711512499 /nfs/dbraw/zinc/51/24/99/711512499.db2.gz ATTAQLKTOBMBPU-GRYCIOLGSA-N 2 2 230.352 0.443 20 0 BCADLP COC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723866105 711540528 /nfs/dbraw/zinc/54/05/28/711540528.db2.gz FDNMYSUQXVVNIC-IWSPIJDZSA-N 2 2 200.282 0.075 20 0 BCADLP COC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723866105 711540529 /nfs/dbraw/zinc/54/05/29/711540529.db2.gz FDNMYSUQXVVNIC-IWSPIJDZSA-N 2 2 200.282 0.075 20 0 BCADLP C[C@H]1COCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000382657883 711547006 /nfs/dbraw/zinc/54/70/06/711547006.db2.gz IAENEJKJQDNXSZ-QWHCGFSZSA-N 2 2 242.363 0.554 20 0 BCADLP C[C@H]1COCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000382657883 711547009 /nfs/dbraw/zinc/54/70/09/711547009.db2.gz IAENEJKJQDNXSZ-QWHCGFSZSA-N 2 2 242.363 0.554 20 0 BCADLP Cc1cn(C)nc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000723961072 711547300 /nfs/dbraw/zinc/54/73/00/711547300.db2.gz ATRXTUCPPIMNLP-MWLCHTKSSA-N 2 2 222.336 0.898 20 0 BCADLP Cc1cn(C)nc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000723961072 711547303 /nfs/dbraw/zinc/54/73/03/711547303.db2.gz ATRXTUCPPIMNLP-MWLCHTKSSA-N 2 2 222.336 0.898 20 0 BCADLP C[N@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)C1(C[NH3+])CCC1 ZINC000724596489 711596447 /nfs/dbraw/zinc/59/64/47/711596447.db2.gz WCJZQNNEKLKWSQ-GRYCIOLGSA-N 2 2 240.347 0.604 20 0 BCADLP C[N@@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)C1(C[NH3+])CCC1 ZINC000724596489 711596450 /nfs/dbraw/zinc/59/64/50/711596450.db2.gz WCJZQNNEKLKWSQ-GRYCIOLGSA-N 2 2 240.347 0.604 20 0 BCADLP CO[C@@H]1CCOC[C@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000724887119 711625420 /nfs/dbraw/zinc/62/54/20/711625420.db2.gz OJYJHXDXDICFJU-VXGBXAGGSA-N 2 2 239.319 0.622 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)CCO[C@@H]1CCOC1 ZINC000724935324 711631148 /nfs/dbraw/zinc/63/11/48/711631148.db2.gz HOMMVNOKFQCNTF-NXEZZACHSA-N 2 2 202.298 0.071 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)CCO[C@@H]1CCOC1 ZINC000724935324 711631150 /nfs/dbraw/zinc/63/11/50/711631150.db2.gz HOMMVNOKFQCNTF-NXEZZACHSA-N 2 2 202.298 0.071 20 0 BCADLP C[NH2+]CC[N@H+](CCO[C@@H]1CCOC1)C(C)C ZINC000724948718 711633569 /nfs/dbraw/zinc/63/35/69/711633569.db2.gz LMQKPPKTDMFMRE-GFCCVEGCSA-N 2 2 230.352 0.722 20 0 BCADLP C[NH2+]CC[N@@H+](CCO[C@@H]1CCOC1)C(C)C ZINC000724948718 711633570 /nfs/dbraw/zinc/63/35/70/711633570.db2.gz LMQKPPKTDMFMRE-GFCCVEGCSA-N 2 2 230.352 0.722 20 0 BCADLP COC[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000309064403 711661408 /nfs/dbraw/zinc/66/14/08/711661408.db2.gz YGXQCCGUGZQDQK-RKDXNWHRSA-N 2 2 222.279 0.937 20 0 BCADLP COC[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000309064403 711661410 /nfs/dbraw/zinc/66/14/10/711661410.db2.gz YGXQCCGUGZQDQK-RKDXNWHRSA-N 2 2 222.279 0.937 20 0 BCADLP C[C@H](C[NH2+][C@H]1COCC1(C)C)[NH+](C)C ZINC000313057676 711712832 /nfs/dbraw/zinc/71/28/32/711712832.db2.gz UVTBRWCHMPAATF-ZJUUUORDSA-N 2 2 200.326 0.951 20 0 BCADLP C[C@H]([NH3+])[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccccc1 ZINC000925719258 711714991 /nfs/dbraw/zinc/71/49/91/711714991.db2.gz NDPQEJCHJQSZFC-XYJRDEOASA-N 2 2 247.342 0.928 20 0 BCADLP C[C@H]([NH2+]CCO[C@@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000925875600 711761554 /nfs/dbraw/zinc/76/15/54/711761554.db2.gz VDAWFQCAPFRWDJ-XQQFMLRXSA-N 2 2 242.363 0.912 20 0 BCADLP CO[C@@H]1COCC[C@H]1[N@H+](C)CCn1cc[nH+]c1 ZINC000880433806 711773348 /nfs/dbraw/zinc/77/33/48/711773348.db2.gz ZVNCSOBEXYAMLO-VXGBXAGGSA-N 2 2 239.319 0.619 20 0 BCADLP CO[C@@H]1COCC[C@H]1[N@@H+](C)CCn1cc[nH+]c1 ZINC000880433806 711773350 /nfs/dbraw/zinc/77/33/50/711773350.db2.gz ZVNCSOBEXYAMLO-VXGBXAGGSA-N 2 2 239.319 0.619 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)Cc1cnccn1 ZINC000700083284 711985440 /nfs/dbraw/zinc/98/54/40/711985440.db2.gz UYYYDSVKQILAFB-MNOVXSKESA-N 2 2 220.320 0.764 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)Cc1cnccn1 ZINC000700083284 711985441 /nfs/dbraw/zinc/98/54/41/711985441.db2.gz UYYYDSVKQILAFB-MNOVXSKESA-N 2 2 220.320 0.764 20 0 BCADLP CCO[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000701674955 712027123 /nfs/dbraw/zinc/02/71/23/712027123.db2.gz WTRIKUYHXDMSQG-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CCO[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000701674955 712027125 /nfs/dbraw/zinc/02/71/25/712027125.db2.gz WTRIKUYHXDMSQG-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP C1C[C@@H]2C[C@H]([NH2+][C@H]3CNOC3)CC[N@@H+]2C1 ZINC000703308458 712072222 /nfs/dbraw/zinc/07/22/22/712072222.db2.gz CDOYFWYNQUASSM-OUAUKWLOSA-N 2 2 211.309 0.106 20 0 BCADLP C1C[C@@H]2C[C@H]([NH2+][C@H]3CNOC3)CC[N@H+]2C1 ZINC000703308458 712072223 /nfs/dbraw/zinc/07/22/23/712072223.db2.gz CDOYFWYNQUASSM-OUAUKWLOSA-N 2 2 211.309 0.106 20 0 BCADLP C[N@@H+](Cc1cnc(N)cn1)C[C@H]1CCC[NH+](C)C1 ZINC000705158528 712123286 /nfs/dbraw/zinc/12/32/86/712123286.db2.gz JVUODDLNIOUALP-NSHDSACASA-N 2 2 249.362 0.832 20 0 BCADLP C[N@H+](Cc1cnc(N)cn1)C[C@H]1CCC[NH+](C)C1 ZINC000705158528 712123287 /nfs/dbraw/zinc/12/32/87/712123287.db2.gz JVUODDLNIOUALP-NSHDSACASA-N 2 2 249.362 0.832 20 0 BCADLP C[NH+](Cc1cnc(N)cn1)C[C@H]1CCC[N@H+](C)C1 ZINC000705158528 712123290 /nfs/dbraw/zinc/12/32/90/712123290.db2.gz JVUODDLNIOUALP-NSHDSACASA-N 2 2 249.362 0.832 20 0 BCADLP C[NH+](Cc1cnc(N)cn1)C[C@H]1CCC[N@@H+](C)C1 ZINC000705158528 712123291 /nfs/dbraw/zinc/12/32/91/712123291.db2.gz JVUODDLNIOUALP-NSHDSACASA-N 2 2 249.362 0.832 20 0 BCADLP NCC(C[NH3+])[NH2+]C[C@H]1CC2CCC1CC2 ZINC000710080287 712245172 /nfs/dbraw/zinc/24/51/72/712245172.db2.gz PZKXFYGOJQDCBN-VQXHTEKXSA-N 2 2 211.353 0.688 20 0 BCADLP [NH3+]CC(C[NH3+])NC[C@H]1CC2CCC1CC2 ZINC000710080287 712245173 /nfs/dbraw/zinc/24/51/73/712245173.db2.gz PZKXFYGOJQDCBN-VQXHTEKXSA-N 2 2 211.353 0.688 20 0 BCADLP CC1(C)C[C@@H](CNC(C[NH3+])C[NH3+])C(C)(C)O1 ZINC000710293698 712250927 /nfs/dbraw/zinc/25/09/27/712250927.db2.gz USSQTRTYYOLVOT-VIFPVBQESA-N 2 2 229.368 0.456 20 0 BCADLP COC1(OC)CC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000711043006 712276099 /nfs/dbraw/zinc/27/60/99/712276099.db2.gz UGJPQBNNWLPMEH-LLVKDONJSA-N 2 2 228.336 0.822 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000711051050 712276889 /nfs/dbraw/zinc/27/68/89/712276889.db2.gz QGQNSBAVUIMWIF-MGCOHNPYSA-N 2 2 236.319 0.852 20 0 BCADLP CC1(C)C[NH2+]C[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000711316589 712294145 /nfs/dbraw/zinc/29/41/45/712294145.db2.gz PBXSTXMVZCWBAX-SECBINFHSA-N 2 2 236.319 0.314 20 0 BCADLP O=C(CCn1cc[nH+]c1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000711631987 712313654 /nfs/dbraw/zinc/31/36/54/712313654.db2.gz KFIJZNLOEBVOFI-DGCLKSJQSA-N 2 2 248.330 0.674 20 0 BCADLP C[N@H+](CCOCC[NH3+])Cc1nccn1C1CC1 ZINC000711730622 712319950 /nfs/dbraw/zinc/31/99/50/712319950.db2.gz GHKWBKUADJUKQW-UHFFFAOYSA-N 2 2 238.335 0.625 20 0 BCADLP C[N@@H+](CCOCC[NH3+])Cc1nccn1C1CC1 ZINC000711730622 712319951 /nfs/dbraw/zinc/31/99/51/712319951.db2.gz GHKWBKUADJUKQW-UHFFFAOYSA-N 2 2 238.335 0.625 20 0 BCADLP CC[N@@H+]1CC[C@H]1CNc1nc(C)[nH+]c(N)n1 ZINC000712610087 712437405 /nfs/dbraw/zinc/43/74/05/712437405.db2.gz XFYDXUQGGWHHPY-QMMMGPOBSA-N 2 2 222.296 0.268 20 0 BCADLP CC[N@H+]1CC[C@H]1CNc1nc(C)[nH+]c(N)n1 ZINC000712610087 712437406 /nfs/dbraw/zinc/43/74/06/712437406.db2.gz XFYDXUQGGWHHPY-QMMMGPOBSA-N 2 2 222.296 0.268 20 0 BCADLP O=c1[nH]cccc1C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000714997404 712503467 /nfs/dbraw/zinc/50/34/67/712503467.db2.gz MLZIQIWEVMZLRB-NWBUJAPZSA-N 2 2 245.326 0.873 20 0 BCADLP C[C@H]([NH3+])C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000036999269 712528620 /nfs/dbraw/zinc/52/86/20/712528620.db2.gz MCVCZCZFIJDGDD-VHSXEESVSA-N 2 2 238.335 0.761 20 0 BCADLP C[NH2+]CC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000036999281 712528925 /nfs/dbraw/zinc/52/89/25/712528925.db2.gz WHWDZHDDUYYBRT-SNVBAGLBSA-N 2 2 238.335 0.633 20 0 BCADLP C[C@@H]([NH3+])C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000036999268 712528932 /nfs/dbraw/zinc/52/89/32/712528932.db2.gz MCVCZCZFIJDGDD-ZJUUUORDSA-N 2 2 238.335 0.761 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CCCCC[NH3+] ZINC000036999365 712528958 /nfs/dbraw/zinc/52/89/58/712528958.db2.gz QFFZIEJRQDBEDD-NSHDSACASA-N 2 2 238.335 0.907 20 0 BCADLP C[C@H]([NH3+])C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000036999267 712528968 /nfs/dbraw/zinc/52/89/68/712528968.db2.gz MCVCZCZFIJDGDD-UWVGGRQHSA-N 2 2 238.335 0.761 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cn(C)nn1 ZINC000715858031 712537524 /nfs/dbraw/zinc/53/75/24/712537524.db2.gz JXZQWOJBKHZPHF-SECBINFHSA-N 2 2 234.307 0.671 20 0 BCADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cn(C)nn1 ZINC000715885808 712539818 /nfs/dbraw/zinc/53/98/18/712539818.db2.gz TZTNHDRXVPZONO-SNVBAGLBSA-N 2 2 234.307 0.753 20 0 BCADLP CC[C@@H](C)NC(=O)[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000037267390 712565098 /nfs/dbraw/zinc/56/50/98/712565098.db2.gz NECNPWKMOJSIEU-MNOVXSKESA-N 2 2 241.379 0.973 20 0 BCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1(Cl)CC1 ZINC000717308328 712646316 /nfs/dbraw/zinc/64/63/16/712646316.db2.gz OXDYVFZAGWHXOB-BDAKNGLRSA-N 2 2 220.744 0.658 20 0 BCADLP CS(=O)(=O)CC[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037904693 712785383 /nfs/dbraw/zinc/78/53/83/712785383.db2.gz OTIRAKXKZDENJZ-SNVBAGLBSA-N 2 2 246.376 0.105 20 0 BCADLP CS(=O)(=O)CC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037904693 712785385 /nfs/dbraw/zinc/78/53/85/712785385.db2.gz OTIRAKXKZDENJZ-SNVBAGLBSA-N 2 2 246.376 0.105 20 0 BCADLP Cc1nc(N[C@@H]2CC[N@H+](C)[C@@H]2C)nc(N)[nH+]1 ZINC000719350362 712805106 /nfs/dbraw/zinc/80/51/06/712805106.db2.gz SPLLUDFEYRMPBM-HTRCEHHLSA-N 2 2 222.296 0.267 20 0 BCADLP Cc1nc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)nc(N)[nH+]1 ZINC000719350362 712805108 /nfs/dbraw/zinc/80/51/08/712805108.db2.gz SPLLUDFEYRMPBM-HTRCEHHLSA-N 2 2 222.296 0.267 20 0 BCADLP C[C@@H]1[C@H]([NH2+]C2CC[NH+](C)CC2)CCN1C ZINC000719610848 712816569 /nfs/dbraw/zinc/81/65/69/712816569.db2.gz CMTBAYFUEKZNHA-ZYHUDNBSSA-N 2 2 211.353 0.763 20 0 BCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720907094 712876883 /nfs/dbraw/zinc/87/68/83/712876883.db2.gz JGHUPGBSUMKUQS-BJDJZHNGSA-N 2 2 228.336 0.114 20 0 BCADLP COc1cc[nH+]c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1 ZINC001164667573 719371526 /nfs/dbraw/zinc/37/15/26/719371526.db2.gz KNHZCWSQRYJWAL-NEPJUHHUSA-N 2 2 249.314 0.609 20 0 BCADLP COc1cc[nH+]c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1 ZINC001164667573 719371530 /nfs/dbraw/zinc/37/15/30/719371530.db2.gz KNHZCWSQRYJWAL-NEPJUHHUSA-N 2 2 249.314 0.609 20 0 BCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC12CC[NH2+]CC2 ZINC000389766138 398137374 /nfs/dbraw/zinc/13/73/74/398137374.db2.gz AHAIMPUEJWGGTN-NSHDSACASA-N 2 2 248.330 0.532 20 0 BCADLP CCCC[N@H+](CCC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000336650998 398140255 /nfs/dbraw/zinc/14/02/55/398140255.db2.gz RYIOTDQYXPMKCV-LLVKDONJSA-N 2 2 248.392 0.624 20 0 BCADLP CCCC[N@@H+](CCC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000336650998 398140260 /nfs/dbraw/zinc/14/02/60/398140260.db2.gz RYIOTDQYXPMKCV-LLVKDONJSA-N 2 2 248.392 0.624 20 0 BCADLP C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C[C@@H]1O ZINC000093344718 343977179 /nfs/dbraw/zinc/97/71/79/343977179.db2.gz TWQKIGGHFHTAIK-MNOVXSKESA-N 2 2 209.293 0.586 20 0 BCADLP C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C[C@@H]1O ZINC000093344718 343977180 /nfs/dbraw/zinc/97/71/80/343977180.db2.gz TWQKIGGHFHTAIK-MNOVXSKESA-N 2 2 209.293 0.586 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CC2(CC(N)=O)CC2)[C@@H](C)C1 ZINC000421354906 192321578 /nfs/dbraw/zinc/32/15/78/192321578.db2.gz XSDNWEXXMCWKGZ-QWRGUYRKSA-N 2 2 239.363 0.572 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]CC2(CC(N)=O)CC2)[C@@H](C)C1 ZINC000421354906 192321582 /nfs/dbraw/zinc/32/15/82/192321582.db2.gz XSDNWEXXMCWKGZ-QWRGUYRKSA-N 2 2 239.363 0.572 20 0 BCADLP C[N@H+](CCCCCO)CCn1cc[nH+]c1 ZINC000227116979 187322257 /nfs/dbraw/zinc/32/22/57/187322257.db2.gz RGXCAAQWJPSOSE-UHFFFAOYSA-N 2 2 211.309 0.978 20 0 BCADLP C[N@@H+](CCCCCO)CCn1cc[nH+]c1 ZINC000227116979 187322259 /nfs/dbraw/zinc/32/22/59/187322259.db2.gz RGXCAAQWJPSOSE-UHFFFAOYSA-N 2 2 211.309 0.978 20 0 BCADLP CC[C@H]1C(=O)NCC[N@H+]1CCc1c[nH+]cn1C ZINC000297571663 398146951 /nfs/dbraw/zinc/14/69/51/398146951.db2.gz CYKAQKQBHUMMFK-NSHDSACASA-N 2 2 236.319 0.173 20 0 BCADLP CC[C@H]1C(=O)NCC[N@@H+]1CCc1c[nH+]cn1C ZINC000297571663 398146957 /nfs/dbraw/zinc/14/69/57/398146957.db2.gz CYKAQKQBHUMMFK-NSHDSACASA-N 2 2 236.319 0.173 20 0 BCADLP Cc1cc(C[NH2+]CCn2cc[nH+]c2)no1 ZINC000309173650 178022100 /nfs/dbraw/zinc/02/21/00/178022100.db2.gz LZKLRGOESSMIKR-UHFFFAOYSA-N 2 2 206.249 0.969 20 0 BCADLP Cc1cc(C[NH2+]CCC[NH+](C)C)nn1C ZINC000300849025 178021410 /nfs/dbraw/zinc/02/14/10/178021410.db2.gz HPYITJPAHQRICV-UHFFFAOYSA-N 2 2 210.325 0.770 20 0 BCADLP CO[C@@H]1CC[N@H+](CCn2cccn2)[C@H](C[NH3+])C1 ZINC000161167916 398167785 /nfs/dbraw/zinc/16/77/85/398167785.db2.gz ZKJYETISWRKYFG-NWDGAFQWSA-N 2 2 238.335 0.321 20 0 BCADLP CO[C@@H]1CC[N@@H+](CCn2cccn2)[C@H](C[NH3+])C1 ZINC000161167916 398167786 /nfs/dbraw/zinc/16/77/86/398167786.db2.gz ZKJYETISWRKYFG-NWDGAFQWSA-N 2 2 238.335 0.321 20 0 BCADLP C[C@@H]1[NH2+]CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC000277466195 398174594 /nfs/dbraw/zinc/17/45/94/398174594.db2.gz JGWFZHJFHSVNOR-QWRGUYRKSA-N 2 2 236.319 0.482 20 0 BCADLP COc1ccsc1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415094896 398160635 /nfs/dbraw/zinc/16/06/35/398160635.db2.gz KUVRLCJSCNQITD-SECBINFHSA-N 2 2 242.344 0.835 20 0 BCADLP c1cc2c(c(C[NH2+]C[C@@H]3C[NH2+]CCO3)c1)NCC2 ZINC000415095199 398160722 /nfs/dbraw/zinc/16/07/22/398160722.db2.gz LUTMMGXVWCAFSW-ZDUSSCGKSA-N 2 2 247.342 0.733 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCC2CC(O)C2)n1C ZINC000576292754 365556923 /nfs/dbraw/zinc/55/69/23/365556923.db2.gz YMVMUXTXNBIFPN-UHFFFAOYSA-N 2 2 223.320 0.979 20 0 BCADLP Cc1cc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)nc[nH+]1 ZINC000362680645 178120378 /nfs/dbraw/zinc/12/03/78/178120378.db2.gz JVPSRUOGJBXRSG-QWRGUYRKSA-N 2 2 218.304 0.783 20 0 BCADLP C[C@H]([NH2+]C1CC1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000382948823 398206079 /nfs/dbraw/zinc/20/60/79/398206079.db2.gz KZQCNKNRPCMDHJ-QMMMGPOBSA-N 2 2 222.292 0.209 20 0 BCADLP Cc1cnc(C[N@H+](C)CCN2CC[NH2+]CC2)o1 ZINC000649409590 398208775 /nfs/dbraw/zinc/20/87/75/398208775.db2.gz WVPAFAKEABYPNV-UHFFFAOYSA-N 2 2 238.335 0.320 20 0 BCADLP Cc1cnc(C[N@@H+](C)CCN2CC[NH2+]CC2)o1 ZINC000649409590 398208778 /nfs/dbraw/zinc/20/87/78/398208778.db2.gz WVPAFAKEABYPNV-UHFFFAOYSA-N 2 2 238.335 0.320 20 0 BCADLP Cc1cc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc[nH+]1 ZINC000237719624 178145806 /nfs/dbraw/zinc/14/58/06/178145806.db2.gz PLIFJWVLZLMABU-ZJUUUORDSA-N 2 2 221.260 0.051 20 0 BCADLP Cc1cc(NC(=O)[C@H]2CC[NH2+]C2)cc[nH+]1 ZINC000086113998 178148390 /nfs/dbraw/zinc/14/83/90/178148390.db2.gz YUVIPBYOKKTEBU-VIFPVBQESA-N 2 2 205.261 0.938 20 0 BCADLP Cc1cc(NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)cc[nH+]1 ZINC000284901114 178148460 /nfs/dbraw/zinc/14/84/60/178148460.db2.gz OMOGVWIIVJVSDR-KOLCDFICSA-N 2 2 235.287 0.705 20 0 BCADLP Cc1cc(NCCN2CC[NH+](C)CC2)nc[nH+]1 ZINC000040727297 178162196 /nfs/dbraw/zinc/16/21/96/178162196.db2.gz UUINPPHWJVMGFH-UHFFFAOYSA-N 2 2 235.335 0.444 20 0 BCADLP C[C@@H](O)[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000387085651 398225451 /nfs/dbraw/zinc/22/54/51/398225451.db2.gz ZOMNQNIUMAIFKT-DTWKUNHWSA-N 2 2 226.324 0.345 20 0 BCADLP C(C[NH+]1CCOCC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000649419285 398220752 /nfs/dbraw/zinc/22/07/52/398220752.db2.gz KVWNODAVILRBIU-QWHCGFSZSA-N 2 2 239.363 0.002 20 0 BCADLP C[C@@H]1CC[N@H+](CCn2cccn2)[C@H](C[NH3+])C1 ZINC000082643443 136221898 /nfs/dbraw/zinc/22/18/98/136221898.db2.gz QQRGZZUQSFSFNM-NEPJUHHUSA-N 2 2 222.336 0.942 20 0 BCADLP C[C@@H]1CC[N@@H+](CCn2cccn2)[C@H](C[NH3+])C1 ZINC000082643443 136221899 /nfs/dbraw/zinc/22/18/99/136221899.db2.gz QQRGZZUQSFSFNM-NEPJUHHUSA-N 2 2 222.336 0.942 20 0 BCADLP C[C@@H]1[C@H](O)CC[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000644904163 398221731 /nfs/dbraw/zinc/22/17/31/398221731.db2.gz GDHGJHKXLDILEC-MWLCHTKSSA-N 2 2 238.335 0.441 20 0 BCADLP C[C@@H]1[C@H](O)CC[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000644904163 398221734 /nfs/dbraw/zinc/22/17/34/398221734.db2.gz GDHGJHKXLDILEC-MWLCHTKSSA-N 2 2 238.335 0.441 20 0 BCADLP CC[C@H]1COCC[N@@H+]1CCn1cc[nH+]c1 ZINC000161926606 349521813 /nfs/dbraw/zinc/52/18/13/349521813.db2.gz CDWDVNSZWDMOPU-NSHDSACASA-N 2 2 209.293 0.994 20 0 BCADLP CC[C@H]1COCC[N@H+]1CCn1cc[nH+]c1 ZINC000161926606 349521817 /nfs/dbraw/zinc/52/18/17/349521817.db2.gz CDWDVNSZWDMOPU-NSHDSACASA-N 2 2 209.293 0.994 20 0 BCADLP CC[C@H](C)NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430569531 398228760 /nfs/dbraw/zinc/22/87/60/398228760.db2.gz LNEFBHKHVMBQNM-CMPLNLGQSA-N 2 2 229.368 0.864 20 0 BCADLP CNC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000430568371 398228847 /nfs/dbraw/zinc/22/88/47/398228847.db2.gz GAQXHBUHHBEUIK-CYBMUJFWSA-N 2 2 247.342 0.969 20 0 BCADLP CNC(=O)c1cccc(C[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000430568371 398228851 /nfs/dbraw/zinc/22/88/51/398228851.db2.gz GAQXHBUHHBEUIK-CYBMUJFWSA-N 2 2 247.342 0.969 20 0 BCADLP C[C@H](CC[NH+](C)C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000276420453 538932390 /nfs/dbraw/zinc/93/23/90/538932390.db2.gz JSVBXBVCPDANSZ-SNVBAGLBSA-N 2 2 238.335 0.799 20 0 BCADLP C[C@H](CC[NH+](C)C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000276420453 538932392 /nfs/dbraw/zinc/93/23/92/538932392.db2.gz JSVBXBVCPDANSZ-SNVBAGLBSA-N 2 2 238.335 0.799 20 0 BCADLP CCCCNC(=O)CC[N@@H+]1CCC[C@@H]1C[NH2+]C ZINC000430573561 398229126 /nfs/dbraw/zinc/22/91/26/398229126.db2.gz ROVZVUQAWBONMB-GFCCVEGCSA-N 2 2 241.379 0.977 20 0 BCADLP CCCCNC(=O)CC[N@H+]1CCC[C@@H]1C[NH2+]C ZINC000430573561 398229128 /nfs/dbraw/zinc/22/91/28/398229128.db2.gz ROVZVUQAWBONMB-GFCCVEGCSA-N 2 2 241.379 0.977 20 0 BCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000334317554 136225473 /nfs/dbraw/zinc/22/54/73/136225473.db2.gz QPIRVTMACBGXHE-QWRGUYRKSA-N 2 2 225.336 0.243 20 0 BCADLP C[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000334317554 136225474 /nfs/dbraw/zinc/22/54/74/136225474.db2.gz QPIRVTMACBGXHE-QWRGUYRKSA-N 2 2 225.336 0.243 20 0 BCADLP C[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000334317554 136225475 /nfs/dbraw/zinc/22/54/75/136225475.db2.gz QPIRVTMACBGXHE-QWRGUYRKSA-N 2 2 225.336 0.243 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C[N@H+](C)C1CCC1 ZINC000629958873 361802244 /nfs/dbraw/zinc/80/22/44/361802244.db2.gz JWTMMRUPUOEFKS-UHFFFAOYSA-N 2 2 236.319 0.852 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C[N@@H+](C)C1CCC1 ZINC000629958873 361802247 /nfs/dbraw/zinc/80/22/47/361802247.db2.gz JWTMMRUPUOEFKS-UHFFFAOYSA-N 2 2 236.319 0.852 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336775868 398240973 /nfs/dbraw/zinc/24/09/73/398240973.db2.gz CXPAYNHIQSOUDJ-CMPLNLGQSA-N 3 2 222.336 0.731 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336775868 398240975 /nfs/dbraw/zinc/24/09/75/398240975.db2.gz CXPAYNHIQSOUDJ-CMPLNLGQSA-N 3 2 222.336 0.731 20 0 BCADLP C[C@@]1(C(=O)NCCn2cc[nH+]c2)CCC[NH2+]C1 ZINC000062859665 398251357 /nfs/dbraw/zinc/25/13/57/398251357.db2.gz GQTVIFWMEGVEGI-GFCCVEGCSA-N 2 2 236.319 0.389 20 0 BCADLP C[N@@H+]1CCN(C(=O)C2CC(F)(F)C2)[C@@H](C[NH3+])C1 ZINC000383529542 398258008 /nfs/dbraw/zinc/25/80/08/398258008.db2.gz YMNVYIQZZGCYMV-VIFPVBQESA-N 2 2 247.289 0.133 20 0 BCADLP C[N@H+]1CCN(C(=O)C2CC(F)(F)C2)[C@@H](C[NH3+])C1 ZINC000383529542 398258010 /nfs/dbraw/zinc/25/80/10/398258010.db2.gz YMNVYIQZZGCYMV-VIFPVBQESA-N 2 2 247.289 0.133 20 0 BCADLP CC[N@H+](C)CCNCc1c[nH+]c(C)n1C ZINC000576719515 365670751 /nfs/dbraw/zinc/67/07/51/365670751.db2.gz ZRQHMMMLGWQHLM-UHFFFAOYSA-N 2 2 210.325 0.770 20 0 BCADLP CC[N@@H+](C)CCNCc1c[nH+]c(C)n1C ZINC000576719515 365670753 /nfs/dbraw/zinc/67/07/53/365670753.db2.gz ZRQHMMMLGWQHLM-UHFFFAOYSA-N 2 2 210.325 0.770 20 0 BCADLP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ncn1 ZINC000381407242 398255825 /nfs/dbraw/zinc/25/58/25/398255825.db2.gz SUALUHUOUGQMTQ-PHIMTYICSA-N 2 2 218.304 0.436 20 0 BCADLP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ncn1 ZINC000381407242 398255830 /nfs/dbraw/zinc/25/58/30/398255830.db2.gz SUALUHUOUGQMTQ-PHIMTYICSA-N 2 2 218.304 0.436 20 0 BCADLP CO[C@@H](C[NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000386134810 398263501 /nfs/dbraw/zinc/26/35/01/398263501.db2.gz FWBDGMAVLROEES-NSHDSACASA-N 2 2 209.293 0.898 20 0 BCADLP COCC(COC)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000385027356 398260588 /nfs/dbraw/zinc/26/05/88/398260588.db2.gz JRDOLXHZKPUDFI-WDEREUQCSA-N 2 2 230.352 0.720 20 0 BCADLP COCC(COC)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000385027356 398260591 /nfs/dbraw/zinc/26/05/91/398260591.db2.gz JRDOLXHZKPUDFI-WDEREUQCSA-N 2 2 230.352 0.720 20 0 BCADLP COc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000078570877 343997161 /nfs/dbraw/zinc/99/71/61/343997161.db2.gz RUMJOQZURBORMJ-PHIMTYICSA-N 2 2 233.315 0.741 20 0 BCADLP COc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000078570877 343997163 /nfs/dbraw/zinc/99/71/63/343997163.db2.gz RUMJOQZURBORMJ-PHIMTYICSA-N 2 2 233.315 0.741 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000378775065 346831929 /nfs/dbraw/zinc/83/19/29/346831929.db2.gz HHMJVPQJMCPFQY-IRCOFANPSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000378775065 346831931 /nfs/dbraw/zinc/83/19/31/346831931.db2.gz HHMJVPQJMCPFQY-IRCOFANPSA-N 2 2 212.337 0.830 20 0 BCADLP O[C@]1(C2CC2)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000366917075 398281715 /nfs/dbraw/zinc/28/17/15/398281715.db2.gz NHPJNDDPQRYQEU-GFCCVEGCSA-N 2 2 221.304 0.730 20 0 BCADLP O[C@]1(C2CC2)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000366917075 398281716 /nfs/dbraw/zinc/28/17/16/398281716.db2.gz NHPJNDDPQRYQEU-GFCCVEGCSA-N 2 2 221.304 0.730 20 0 BCADLP [NH3+]C[C@H](NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000083565510 398283967 /nfs/dbraw/zinc/28/39/67/398283967.db2.gz HJODLLWATRDVFE-JTQLQIEISA-N 2 2 222.292 0.127 20 0 BCADLP O[C@@H]1CC[N@H+](CCNc2cc[nH+]cc2Cl)C1 ZINC000624678961 342818325 /nfs/dbraw/zinc/81/83/25/342818325.db2.gz STQKKSAVXYGWLN-SECBINFHSA-N 2 2 241.722 0.635 20 0 BCADLP O[C@@H]1CC[N@@H+](CCNc2cc[nH+]cc2Cl)C1 ZINC000624678961 342818326 /nfs/dbraw/zinc/81/83/26/342818326.db2.gz STQKKSAVXYGWLN-SECBINFHSA-N 2 2 241.722 0.635 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H]1CCCOC1 ZINC000186577481 538973895 /nfs/dbraw/zinc/97/38/95/538973895.db2.gz PVOIUTVYEYYAEK-NSHDSACASA-N 2 2 216.325 0.069 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CCCOC1 ZINC000186577481 538973897 /nfs/dbraw/zinc/97/38/97/538973897.db2.gz PVOIUTVYEYYAEK-NSHDSACASA-N 2 2 216.325 0.069 20 0 BCADLP CC[NH+](CC)CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000381470473 539001719 /nfs/dbraw/zinc/00/17/19/539001719.db2.gz OIBBFDTUZMCWCI-CHWSQXEVSA-N 3 2 225.380 0.870 20 0 BCADLP C[NH+](C)CC(=O)NCCCNc1cccc[nH+]1 ZINC000127084359 342838920 /nfs/dbraw/zinc/83/89/20/342838920.db2.gz CYJAJWDABYYNBJ-UHFFFAOYSA-N 2 2 236.319 0.561 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+](CCCO)C1CC1)C1CC1 ZINC000383873296 539012463 /nfs/dbraw/zinc/01/24/63/539012463.db2.gz BIWSNZJXOVKMPR-CYBMUJFWSA-N 2 2 242.363 0.288 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+](CCCO)C1CC1)C1CC1 ZINC000383873296 539012465 /nfs/dbraw/zinc/01/24/65/539012465.db2.gz BIWSNZJXOVKMPR-CYBMUJFWSA-N 2 2 242.363 0.288 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+](CCCO)C1CC1)C1CC1 ZINC000383873296 539012466 /nfs/dbraw/zinc/01/24/66/539012466.db2.gz BIWSNZJXOVKMPR-CYBMUJFWSA-N 2 2 242.363 0.288 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+](CCCO)C1CC1)C1CC1 ZINC000383873296 539012468 /nfs/dbraw/zinc/01/24/68/539012468.db2.gz BIWSNZJXOVKMPR-CYBMUJFWSA-N 2 2 242.363 0.288 20 0 BCADLP C=Cn1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000381198276 538996184 /nfs/dbraw/zinc/99/61/84/538996184.db2.gz AOCNDXGZINISNE-VXGBXAGGSA-N 2 2 218.304 0.635 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCn1cncn1 ZINC000390460766 539022203 /nfs/dbraw/zinc/02/22/03/539022203.db2.gz FRIYINBEKWEMSA-QWRGUYRKSA-N 2 2 223.324 0.208 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCn1cncn1 ZINC000390460766 539022205 /nfs/dbraw/zinc/02/22/05/539022205.db2.gz FRIYINBEKWEMSA-QWRGUYRKSA-N 2 2 223.324 0.208 20 0 BCADLP CN(CCC[NH3+])C(=O)CCn1cc[nH+]c1 ZINC000037050470 398300557 /nfs/dbraw/zinc/30/05/57/398300557.db2.gz DNVLHBJUMVNBPL-UHFFFAOYSA-N 2 2 210.281 0.080 20 0 BCADLP Cc1c(C[NH2+][C@H]2CC[NH2+]C2(C)C)cnn1C ZINC000335646097 136244112 /nfs/dbraw/zinc/24/41/12/136244112.db2.gz LEDYBECPPIXLQU-NSHDSACASA-N 2 2 222.336 0.959 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000167330184 136245561 /nfs/dbraw/zinc/24/55/61/136245561.db2.gz GJROZNCNXIBHMY-BDAKNGLRSA-N 2 2 201.314 0.051 20 0 BCADLP Cn1ncnc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000162306224 349633906 /nfs/dbraw/zinc/63/39/06/349633906.db2.gz KJJIPVGVBJAUEV-UHFFFAOYSA-N 2 2 234.307 0.534 20 0 BCADLP Cn1ncnc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000162306224 349633909 /nfs/dbraw/zinc/63/39/09/349633909.db2.gz KJJIPVGVBJAUEV-UHFFFAOYSA-N 2 2 234.307 0.534 20 0 BCADLP C[C@H](C[NH2+]Cc1cn(C)nn1)C[NH+]1CCCC1 ZINC000062079058 349635063 /nfs/dbraw/zinc/63/50/63/349635063.db2.gz APJFXVJRCVOAJN-LLVKDONJSA-N 2 2 237.351 0.637 20 0 BCADLP C(=C\C[NH+]1CCOCC1)\C[NH+]1CCOCC1 ZINC000016973258 342918391 /nfs/dbraw/zinc/91/83/91/342918391.db2.gz IHTDQZRNRVUDBN-UPHRSURJSA-N 2 2 226.320 0.207 20 0 BCADLP CC(C)[C@H]([NH3+])C(=O)NCCNc1cccc[nH+]1 ZINC000272405432 187335944 /nfs/dbraw/zinc/33/59/44/187335944.db2.gz ZWTHUOKWVIXULJ-NSHDSACASA-N 2 2 236.319 0.593 20 0 BCADLP CNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248162620 398339176 /nfs/dbraw/zinc/33/91/76/398339176.db2.gz SJNPXSPUIODELJ-QWRGUYRKSA-N 2 2 225.336 0.149 20 0 BCADLP CNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248162620 398339177 /nfs/dbraw/zinc/33/91/77/398339177.db2.gz SJNPXSPUIODELJ-QWRGUYRKSA-N 2 2 225.336 0.149 20 0 BCADLP CNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248162620 398339178 /nfs/dbraw/zinc/33/91/78/398339178.db2.gz SJNPXSPUIODELJ-QWRGUYRKSA-N 2 2 225.336 0.149 20 0 BCADLP CNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248162620 398339179 /nfs/dbraw/zinc/33/91/79/398339179.db2.gz SJNPXSPUIODELJ-QWRGUYRKSA-N 2 2 225.336 0.149 20 0 BCADLP CCNC(=O)C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000678073503 488191711 /nfs/dbraw/zinc/19/17/11/488191711.db2.gz VSYCMGJWKFYORA-NSHDSACASA-N 2 2 227.352 0.539 20 0 BCADLP CCNC(=O)C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000678073503 488191713 /nfs/dbraw/zinc/19/17/13/488191713.db2.gz VSYCMGJWKFYORA-NSHDSACASA-N 2 2 227.352 0.539 20 0 BCADLP CCNC(=O)C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000678073503 488191715 /nfs/dbraw/zinc/19/17/15/488191715.db2.gz VSYCMGJWKFYORA-NSHDSACASA-N 2 2 227.352 0.539 20 0 BCADLP CCNC(=O)C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000678073503 488191717 /nfs/dbraw/zinc/19/17/17/488191717.db2.gz VSYCMGJWKFYORA-NSHDSACASA-N 2 2 227.352 0.539 20 0 BCADLP CC[C@@H](CO)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000309066979 529515410 /nfs/dbraw/zinc/51/54/10/529515410.db2.gz ZZXFHHUQKVPMRW-JBLDHEPKSA-N 2 2 212.337 0.830 20 0 BCADLP CC[C@@H](CO)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000309066979 529515413 /nfs/dbraw/zinc/51/54/13/529515413.db2.gz ZZXFHHUQKVPMRW-JBLDHEPKSA-N 2 2 212.337 0.830 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[C@H]([NH3+])C1 ZINC000493852097 529552583 /nfs/dbraw/zinc/55/25/83/529552583.db2.gz HYLKNRNGWWCOMD-FSIBCCDJSA-N 2 2 234.303 0.476 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@@H](C)C[NH3+] ZINC000493168843 529553327 /nfs/dbraw/zinc/55/33/27/529553327.db2.gz TVPJNNZYDHRURR-YEZKRMTDSA-N 2 2 236.319 0.627 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000493411463 529553421 /nfs/dbraw/zinc/55/34/21/529553421.db2.gz BBPFPBRZWDGYDP-QRGHLMKCSA-N 2 2 248.330 0.784 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)NCCC[NH3+] ZINC000493195173 529553429 /nfs/dbraw/zinc/55/34/29/529553429.db2.gz UTRZVMLNPDQVLE-SNAWJCMRSA-N 2 2 222.292 0.381 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000493057913 529555163 /nfs/dbraw/zinc/55/51/63/529555163.db2.gz VTKLNCUMSOAUMZ-QRGHLMKCSA-N 2 2 248.330 0.770 20 0 BCADLP CC[C@@H]([NH3+])CNC(=O)/C=C/c1[nH+]ccn1CC ZINC000493768841 529556625 /nfs/dbraw/zinc/55/66/25/529556625.db2.gz DUQFUJZFSGQKDQ-BRAIEQGRSA-N 2 2 236.319 0.770 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000493321477 529557232 /nfs/dbraw/zinc/55/72/32/529557232.db2.gz MBCIKUSESNNJPG-ISALQUGTSA-N 2 2 248.330 0.866 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)NCCC[NH3+] ZINC000493195171 529559026 /nfs/dbraw/zinc/55/90/26/529559026.db2.gz UTRZVMLNPDQVLE-PLNGDYQASA-N 2 2 222.292 0.381 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)NC[C@H](C)C[NH3+] ZINC000493168842 529559601 /nfs/dbraw/zinc/55/96/01/529559601.db2.gz TVPJNNZYDHRURR-UMCURTJPSA-N 2 2 236.319 0.627 20 0 BCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2ccncc2)C1 ZINC000351856989 136258678 /nfs/dbraw/zinc/25/86/78/136258678.db2.gz AIEPKLYKDATBMW-QWRGUYRKSA-N 2 2 248.330 0.111 20 0 BCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2ccncc2)C1 ZINC000351856989 136258679 /nfs/dbraw/zinc/25/86/79/136258679.db2.gz AIEPKLYKDATBMW-QWRGUYRKSA-N 2 2 248.330 0.111 20 0 BCADLP COC(=O)C[N@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000602780472 349746317 /nfs/dbraw/zinc/74/63/17/349746317.db2.gz QFXKEOWRLPPMCH-UHFFFAOYSA-N 2 2 237.303 0.600 20 0 BCADLP COC(=O)C[N@@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000602780472 349746319 /nfs/dbraw/zinc/74/63/19/349746319.db2.gz QFXKEOWRLPPMCH-UHFFFAOYSA-N 2 2 237.303 0.600 20 0 BCADLP CCN(C#N)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000602819298 349760225 /nfs/dbraw/zinc/76/02/25/349760225.db2.gz RSTKUSHZAJGMTN-UHFFFAOYSA-N 2 2 248.334 0.335 20 0 BCADLP C([NH2+]C1COC1)[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000367480018 187220625 /nfs/dbraw/zinc/22/06/25/187220625.db2.gz HBELMIRZKAUDMW-WCQYABFASA-N 2 2 240.347 0.476 20 0 BCADLP C[C@H]1CC[N@H+](CCNCc2[nH]cc[nH+]2)C1 ZINC000309092295 259342415 /nfs/dbraw/zinc/34/24/15/259342415.db2.gz BOKBAZXSHIRBKL-JTQLQIEISA-N 2 2 208.309 0.841 20 0 BCADLP C[C@H]1CC[N@@H+](CCNCc2[nH]cc[nH+]2)C1 ZINC000309092295 259342417 /nfs/dbraw/zinc/34/24/17/259342417.db2.gz BOKBAZXSHIRBKL-JTQLQIEISA-N 2 2 208.309 0.841 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1CO ZINC000314616169 259345444 /nfs/dbraw/zinc/34/54/44/259345444.db2.gz REVCOZMKHOAMMG-GFCCVEGCSA-N 2 2 223.320 0.809 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1CO ZINC000314616169 259345446 /nfs/dbraw/zinc/34/54/46/259345446.db2.gz REVCOZMKHOAMMG-GFCCVEGCSA-N 2 2 223.320 0.809 20 0 BCADLP Cc1ncc(C[NH2+]CCn2cc[nH+]c2)o1 ZINC000398109712 343066807 /nfs/dbraw/zinc/06/68/07/343066807.db2.gz QSCSIVGHASRHIH-UHFFFAOYSA-N 2 2 206.249 0.969 20 0 BCADLP Cn1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)n1 ZINC000236095097 343074044 /nfs/dbraw/zinc/07/40/44/343074044.db2.gz NNHWMMQMUMMWNS-NSHDSACASA-N 2 2 208.309 0.591 20 0 BCADLP Cn1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)n1 ZINC000236095097 343074045 /nfs/dbraw/zinc/07/40/45/343074045.db2.gz NNHWMMQMUMMWNS-NSHDSACASA-N 2 2 208.309 0.591 20 0 BCADLP CO[C@H]1CCC[C@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000623837580 343088102 /nfs/dbraw/zinc/08/81/02/343088102.db2.gz KVAPCNRUMWZTLZ-AVGNSLFASA-N 2 2 242.363 0.600 20 0 BCADLP CO[C@H]1CCC[C@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000623837580 343088104 /nfs/dbraw/zinc/08/81/04/343088104.db2.gz KVAPCNRUMWZTLZ-AVGNSLFASA-N 2 2 242.363 0.600 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cnnn2C)C1 ZINC000347086928 136267602 /nfs/dbraw/zinc/26/76/02/136267602.db2.gz DEGVAVWTDTZUQN-SNVBAGLBSA-N 2 2 223.324 0.247 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cnnn2C)C1 ZINC000347086928 136267603 /nfs/dbraw/zinc/26/76/03/136267603.db2.gz DEGVAVWTDTZUQN-SNVBAGLBSA-N 2 2 223.324 0.247 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000127691883 343178634 /nfs/dbraw/zinc/17/86/34/343178634.db2.gz DIAZVWHEBGIBNF-ZJUUUORDSA-N 2 2 236.319 0.457 20 0 BCADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC000121987075 343157787 /nfs/dbraw/zinc/15/77/87/343157787.db2.gz BBLXXYKBWHAGLJ-LLVKDONJSA-N 2 2 237.351 0.635 20 0 BCADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC000121987075 343157788 /nfs/dbraw/zinc/15/77/88/343157788.db2.gz BBLXXYKBWHAGLJ-LLVKDONJSA-N 2 2 237.351 0.635 20 0 BCADLP C[N@@H+]1CCN(Cc2cccc(O)c2)[C@H](C[NH3+])C1 ZINC000122510727 343160320 /nfs/dbraw/zinc/16/03/20/343160320.db2.gz SHACFEZFILOMQB-GFCCVEGCSA-N 2 2 235.331 0.467 20 0 BCADLP C[N@H+]1CCN(Cc2cccc(O)c2)[C@H](C[NH3+])C1 ZINC000122510727 343160322 /nfs/dbraw/zinc/16/03/22/343160322.db2.gz SHACFEZFILOMQB-GFCCVEGCSA-N 2 2 235.331 0.467 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCCC[NH3+])C[N@@H+]1C1CC1 ZINC000229934473 136273830 /nfs/dbraw/zinc/27/38/30/136273830.db2.gz BUFJRTIURZXREK-GHMZBOCLSA-N 3 2 211.353 0.940 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCCC[NH3+])C[N@H+]1C1CC1 ZINC000229934473 136273831 /nfs/dbraw/zinc/27/38/31/136273831.db2.gz BUFJRTIURZXREK-GHMZBOCLSA-N 3 2 211.353 0.940 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CCCCC1 ZINC000124599625 343163544 /nfs/dbraw/zinc/16/35/44/343163544.db2.gz VAAPDYJQGXXKMH-NEPJUHHUSA-N 2 2 239.363 0.811 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CCCCC1 ZINC000124599625 343163546 /nfs/dbraw/zinc/16/35/46/343163546.db2.gz VAAPDYJQGXXKMH-NEPJUHHUSA-N 2 2 239.363 0.811 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccn(C)n1 ZINC000123998300 343166696 /nfs/dbraw/zinc/16/66/96/343166696.db2.gz VFXUXLSBNKPFHJ-NXEZZACHSA-N 2 2 208.309 0.732 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccn(C)n1 ZINC000123998300 343166697 /nfs/dbraw/zinc/16/66/97/343166697.db2.gz VFXUXLSBNKPFHJ-NXEZZACHSA-N 2 2 208.309 0.732 20 0 BCADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccn(C)n1 ZINC000124001227 343166748 /nfs/dbraw/zinc/16/67/48/343166748.db2.gz FDBMRAMCBHPOLK-VHSXEESVSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccn(C)n1 ZINC000124001227 343166749 /nfs/dbraw/zinc/16/67/49/343166749.db2.gz FDBMRAMCBHPOLK-VHSXEESVSA-N 2 2 208.309 0.589 20 0 BCADLP COc1c(N)[nH+]cnc1NCC[NH+](C)C ZINC000134812254 343195647 /nfs/dbraw/zinc/19/56/47/343195647.db2.gz RYZLIBGEQJKAQN-UHFFFAOYSA-N 2 2 211.269 0.041 20 0 BCADLP C[C@H]([NH3+])[C@H](C)C(=O)NCCCCn1cc[nH+]c1 ZINC000156862562 343199255 /nfs/dbraw/zinc/19/92/55/343199255.db2.gz MJWRTPLCAOJUMI-QWRGUYRKSA-N 2 2 238.335 0.763 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634683746 343205926 /nfs/dbraw/zinc/20/59/26/343205926.db2.gz YWKYIBALUOJTAH-GFCCVEGCSA-N 2 2 244.379 0.848 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634683746 343205929 /nfs/dbraw/zinc/20/59/29/343205929.db2.gz YWKYIBALUOJTAH-GFCCVEGCSA-N 2 2 244.379 0.848 20 0 BCADLP [NH3+]CC[NH+]1CCC(N2CCCC2=O)CC1 ZINC000082491436 136276843 /nfs/dbraw/zinc/27/68/43/136276843.db2.gz VZNSQLRMSNPPJX-UHFFFAOYSA-N 2 2 211.309 0.032 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NCC1CC1 ZINC000133599879 343191146 /nfs/dbraw/zinc/19/11/46/343191146.db2.gz SAJKGMBOXUSMKX-KOLCDFICSA-N 2 2 225.336 0.324 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NCC1CC1 ZINC000133599879 343191149 /nfs/dbraw/zinc/19/11/49/343191149.db2.gz SAJKGMBOXUSMKX-KOLCDFICSA-N 2 2 225.336 0.324 20 0 BCADLP C[C@@H]1CC[C@@H](C[N@@H+]2CC3CC2(C[NH3+])C3)O1 ZINC000634688212 343246620 /nfs/dbraw/zinc/24/66/20/343246620.db2.gz LVYBYWDOHXUCMX-ZYGVAYEYSA-N 2 2 210.321 0.977 20 0 BCADLP C[C@@H]1CC[C@@H](C[N@H+]2CC3CC2(C[NH3+])C3)O1 ZINC000634688212 343246621 /nfs/dbraw/zinc/24/66/21/343246621.db2.gz LVYBYWDOHXUCMX-ZYGVAYEYSA-N 2 2 210.321 0.977 20 0 BCADLP C[C@H]1CC[C@@H](C[N@@H+]2CC3CC2(C[NH3+])C3)O1 ZINC000634688211 343246651 /nfs/dbraw/zinc/24/66/51/343246651.db2.gz LVYBYWDOHXUCMX-VOBJUBJWSA-N 2 2 210.321 0.977 20 0 BCADLP C[C@H]1CC[C@@H](C[N@H+]2CC3CC2(C[NH3+])C3)O1 ZINC000634688211 343246652 /nfs/dbraw/zinc/24/66/52/343246652.db2.gz LVYBYWDOHXUCMX-VOBJUBJWSA-N 2 2 210.321 0.977 20 0 BCADLP CCO[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000043802907 488209769 /nfs/dbraw/zinc/20/97/69/488209769.db2.gz VJYRSVBADVJKNG-NEPJUHHUSA-N 2 2 228.336 0.476 20 0 BCADLP CCO[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000043802907 488209774 /nfs/dbraw/zinc/20/97/74/488209774.db2.gz VJYRSVBADVJKNG-NEPJUHHUSA-N 2 2 228.336 0.476 20 0 BCADLP CCC[C@H]([NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000036873104 343326006 /nfs/dbraw/zinc/32/60/06/343326006.db2.gz NKNLVOYRIIVBBJ-JTQLQIEISA-N 2 2 224.308 0.517 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000668152865 488210795 /nfs/dbraw/zinc/21/07/95/488210795.db2.gz AFKCVESVYARZPI-VHSXEESVSA-N 2 2 227.352 0.583 20 0 BCADLP CCC[C@@H]([NH3+])c1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000641053243 362162477 /nfs/dbraw/zinc/16/24/77/362162477.db2.gz CRGDBUVSBYHLSI-SNVBAGLBSA-N 2 2 234.307 0.860 20 0 BCADLP CC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CCOC ZINC000584048126 343306455 /nfs/dbraw/zinc/30/64/55/343306455.db2.gz DNKUWJHTOGHTOI-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP CC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CCOC ZINC000584048126 343306457 /nfs/dbraw/zinc/30/64/57/343306457.db2.gz DNKUWJHTOGHTOI-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP Cc1nn(C)cc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000335635318 136300659 /nfs/dbraw/zinc/30/06/59/136300659.db2.gz KBAQAPJCOWKZBK-JOYOIKCWSA-N 2 2 222.336 0.816 20 0 BCADLP CC(C)N1CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1=O ZINC000335651005 136305035 /nfs/dbraw/zinc/30/50/35/136305035.db2.gz NDVPKZOVBWUVMX-QWRGUYRKSA-N 2 2 225.336 0.337 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c[nH+]1 ZINC000335658778 136307532 /nfs/dbraw/zinc/30/75/32/136307532.db2.gz XNLUQOINVSHAQZ-IONNQARKSA-N 2 2 222.292 0.446 20 0 BCADLP Cc1c[nH+]c(CN2CC[C@@H]([NH+](C)C)C2)n1C ZINC000349008386 136316372 /nfs/dbraw/zinc/31/63/72/136316372.db2.gz OGRUITAQMGEGJH-LLVKDONJSA-N 2 2 222.336 0.864 20 0 BCADLP C[C@H]1C[C@H]([NH+](C)CC(=O)N2CCC2)CC[N@@H+]1C ZINC000335736012 136350044 /nfs/dbraw/zinc/35/00/44/136350044.db2.gz JHVCISOLLYMDSB-NWDGAFQWSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@H]1C[C@H]([NH+](C)CC(=O)N2CCC2)CC[N@H+]1C ZINC000335736012 136350045 /nfs/dbraw/zinc/35/00/45/136350045.db2.gz JHVCISOLLYMDSB-NWDGAFQWSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@H]1C[C@H]([N@H+](C)CC(=O)N2CCC2)CC[NH+]1C ZINC000335736012 136350046 /nfs/dbraw/zinc/35/00/46/136350046.db2.gz JHVCISOLLYMDSB-NWDGAFQWSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)N2CCC2)CC[NH+]1C ZINC000335736012 136350047 /nfs/dbraw/zinc/35/00/47/136350047.db2.gz JHVCISOLLYMDSB-NWDGAFQWSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@@H]1CC[N@H+](C)CCN1Cc1c[nH+]cn1C ZINC000335706086 136335820 /nfs/dbraw/zinc/33/58/20/136335820.db2.gz IOZCEOHPXPIECY-LLVKDONJSA-N 2 2 222.336 0.946 20 0 BCADLP C[C@@H]1CC[N@@H+](C)CCN1Cc1c[nH+]cn1C ZINC000335706086 136335821 /nfs/dbraw/zinc/33/58/21/136335821.db2.gz IOZCEOHPXPIECY-LLVKDONJSA-N 2 2 222.336 0.946 20 0 BCADLP C[C@H](C[NH2+]C[C@@H]1CCCOC1)[NH+](C)C ZINC000082581121 343452399 /nfs/dbraw/zinc/45/23/99/343452399.db2.gz KIZWYVGAAIXQQP-MNOVXSKESA-N 2 2 200.326 0.953 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@](C)(F)C1)C1CC1 ZINC000351575250 136369327 /nfs/dbraw/zinc/36/93/27/136369327.db2.gz SEPNPKOEDXOTEU-NEPJUHHUSA-N 2 2 230.327 0.875 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@](C)(F)C1)C1CC1 ZINC000351575250 136369328 /nfs/dbraw/zinc/36/93/28/136369328.db2.gz SEPNPKOEDXOTEU-NEPJUHHUSA-N 2 2 230.327 0.875 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@](C)(F)C1)C1CC1 ZINC000351575250 136369329 /nfs/dbraw/zinc/36/93/29/136369329.db2.gz SEPNPKOEDXOTEU-NEPJUHHUSA-N 2 2 230.327 0.875 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@](C)(F)C1)C1CC1 ZINC000351575250 136369330 /nfs/dbraw/zinc/36/93/30/136369330.db2.gz SEPNPKOEDXOTEU-NEPJUHHUSA-N 2 2 230.327 0.875 20 0 BCADLP C[C@@H]1C[NH2+][C@@H](C)CN1Cc1[nH+]ccn1C ZINC000083086103 343476226 /nfs/dbraw/zinc/47/62/26/343476226.db2.gz UCVGIEWVGFEIOU-VHSXEESVSA-N 2 2 208.309 0.602 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCSC1 ZINC000379937755 365749381 /nfs/dbraw/zinc/74/93/81/365749381.db2.gz XXOCXAQBLFSQLC-WDEREUQCSA-N 2 2 232.393 0.736 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCSC1 ZINC000379937755 365749384 /nfs/dbraw/zinc/74/93/84/365749384.db2.gz XXOCXAQBLFSQLC-WDEREUQCSA-N 2 2 232.393 0.736 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CCSC1 ZINC000379937755 365749385 /nfs/dbraw/zinc/74/93/85/365749385.db2.gz XXOCXAQBLFSQLC-WDEREUQCSA-N 2 2 232.393 0.736 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CCSC1 ZINC000379937755 365749388 /nfs/dbraw/zinc/74/93/88/365749388.db2.gz XXOCXAQBLFSQLC-WDEREUQCSA-N 2 2 232.393 0.736 20 0 BCADLP Cc1ncccc1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000310473382 343507963 /nfs/dbraw/zinc/50/79/63/343507963.db2.gz ZXLFOJRKYLIGIS-CYBMUJFWSA-N 2 2 234.347 0.465 20 0 BCADLP Cc1ncccc1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000310473382 343507966 /nfs/dbraw/zinc/50/79/66/343507966.db2.gz ZXLFOJRKYLIGIS-CYBMUJFWSA-N 2 2 234.347 0.465 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H]1C ZINC000310549314 343530120 /nfs/dbraw/zinc/53/01/20/343530120.db2.gz UAPOAFLPYVXWJO-UPJWGTAASA-N 2 2 244.379 0.656 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H]1C ZINC000310549314 343530122 /nfs/dbraw/zinc/53/01/22/343530122.db2.gz UAPOAFLPYVXWJO-UPJWGTAASA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@H]1C ZINC000310549314 343530123 /nfs/dbraw/zinc/53/01/23/343530123.db2.gz UAPOAFLPYVXWJO-UPJWGTAASA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@H]1C ZINC000310549314 343530126 /nfs/dbraw/zinc/53/01/26/343530126.db2.gz UAPOAFLPYVXWJO-UPJWGTAASA-N 2 2 244.379 0.656 20 0 BCADLP CCn1ccnc1C[NH2+]CCc1c[nH+]cn1C ZINC000401812354 343539949 /nfs/dbraw/zinc/53/99/49/343539949.db2.gz VEFIHZUCRJGCLY-UHFFFAOYSA-N 2 2 233.319 0.969 20 0 BCADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC000071138659 343620942 /nfs/dbraw/zinc/62/09/42/343620942.db2.gz YURDFLLIAPYPFE-CYBMUJFWSA-N 2 2 247.342 0.969 20 0 BCADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC000071138659 343620945 /nfs/dbraw/zinc/62/09/45/343620945.db2.gz YURDFLLIAPYPFE-CYBMUJFWSA-N 2 2 247.342 0.969 20 0 BCADLP C[N@@H+]1CC[C@@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492807447 529792314 /nfs/dbraw/zinc/79/23/14/529792314.db2.gz BEPQXYITEYEGNG-ZMWSMAPVSA-N 2 2 234.303 0.491 20 0 BCADLP C[N@H+]1CC[C@@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492807447 529792316 /nfs/dbraw/zinc/79/23/16/529792316.db2.gz BEPQXYITEYEGNG-ZMWSMAPVSA-N 2 2 234.303 0.491 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCSC[C@@H]1C ZINC000309013559 346954911 /nfs/dbraw/zinc/95/49/11/346954911.db2.gz QAQCXFBPKHJZCJ-QWRGUYRKSA-N 2 2 232.393 0.736 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCSC[C@@H]1C ZINC000309013559 346954913 /nfs/dbraw/zinc/95/49/13/346954913.db2.gz QAQCXFBPKHJZCJ-QWRGUYRKSA-N 2 2 232.393 0.736 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCSC[C@@H]1C ZINC000309013559 346954916 /nfs/dbraw/zinc/95/49/16/346954916.db2.gz QAQCXFBPKHJZCJ-QWRGUYRKSA-N 2 2 232.393 0.736 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCSC[C@@H]1C ZINC000309013559 346954919 /nfs/dbraw/zinc/95/49/19/346954919.db2.gz QAQCXFBPKHJZCJ-QWRGUYRKSA-N 2 2 232.393 0.736 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCN2CC[C@H](O)C2)CC[N@@H+]1C ZINC000624335556 343717703 /nfs/dbraw/zinc/71/77/03/343717703.db2.gz VDJHLJIOBJBOQB-XQQFMLRXSA-N 2 2 241.379 0.125 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCN2CC[C@H](O)C2)CC[N@H+]1C ZINC000624335556 343717706 /nfs/dbraw/zinc/71/77/06/343717706.db2.gz VDJHLJIOBJBOQB-XQQFMLRXSA-N 2 2 241.379 0.125 20 0 BCADLP O=C(C[NH2+]C1CC1)NCCCNc1cccc[nH+]1 ZINC000154629913 343721257 /nfs/dbraw/zinc/72/12/57/343721257.db2.gz VKJPVSQAOCNOOZ-UHFFFAOYSA-N 2 2 248.330 0.752 20 0 BCADLP Cc1n[nH]cc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000051187957 346981072 /nfs/dbraw/zinc/98/10/72/346981072.db2.gz DAJJUZSRJNLWSM-GFCCVEGCSA-N 2 2 238.335 0.264 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(F)F)CC1 ZINC000309199689 346982380 /nfs/dbraw/zinc/98/23/80/346982380.db2.gz MYTDUQYQEGZNFA-QMMMGPOBSA-N 2 2 235.278 0.133 20 0 BCADLP CN(CC[N@H+](C)C1CC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492812701 529900588 /nfs/dbraw/zinc/90/05/88/529900588.db2.gz NKVOVMVHLBUKDA-UTCJRWHESA-N 2 2 248.330 0.976 20 0 BCADLP CN(CC[N@@H+](C)C1CC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492812701 529900590 /nfs/dbraw/zinc/90/05/90/529900590.db2.gz NKVOVMVHLBUKDA-UTCJRWHESA-N 2 2 248.330 0.976 20 0 BCADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1COC[C@H]1O ZINC000512211457 529929791 /nfs/dbraw/zinc/92/97/91/529929791.db2.gz KIDZOAKRHAGKGD-YNEHKIRRSA-N 2 2 242.363 0.552 20 0 BCADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1COC[C@H]1O ZINC000512211457 529929793 /nfs/dbraw/zinc/92/97/93/529929793.db2.gz KIDZOAKRHAGKGD-YNEHKIRRSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1COC[C@H]1O ZINC000512211457 529929795 /nfs/dbraw/zinc/92/97/95/529929795.db2.gz KIDZOAKRHAGKGD-YNEHKIRRSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@@H]1COC[C@H]1O ZINC000512211457 529929796 /nfs/dbraw/zinc/92/97/96/529929796.db2.gz KIDZOAKRHAGKGD-YNEHKIRRSA-N 2 2 242.363 0.552 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621785066 343907998 /nfs/dbraw/zinc/90/79/98/343907998.db2.gz YVCDSLDOAUVNTJ-IQJOONFLSA-N 2 2 211.309 0.064 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621785066 343907999 /nfs/dbraw/zinc/90/79/99/343907999.db2.gz YVCDSLDOAUVNTJ-IQJOONFLSA-N 2 2 211.309 0.064 20 0 BCADLP C[N@H+](C[C@H](O)C[NH2+]CCC(F)(F)F)C1CC1 ZINC000381058851 343918100 /nfs/dbraw/zinc/91/81/00/343918100.db2.gz KHTUHJUBYXELBM-SECBINFHSA-N 2 2 240.269 0.984 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH2+]CCC(F)(F)F)C1CC1 ZINC000381058851 343918102 /nfs/dbraw/zinc/91/81/02/343918102.db2.gz KHTUHJUBYXELBM-SECBINFHSA-N 2 2 240.269 0.984 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C1CCC1 ZINC000381100273 343973685 /nfs/dbraw/zinc/97/36/85/343973685.db2.gz XPVHQVRYHBLQDB-GFCCVEGCSA-N 2 2 230.352 0.410 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CCC1 ZINC000381100273 343973687 /nfs/dbraw/zinc/97/36/87/343973687.db2.gz XPVHQVRYHBLQDB-GFCCVEGCSA-N 2 2 230.352 0.410 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C1CCC1 ZINC000381100273 343973689 /nfs/dbraw/zinc/97/36/89/343973689.db2.gz XPVHQVRYHBLQDB-GFCCVEGCSA-N 2 2 230.352 0.410 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CCC1 ZINC000381100273 343973691 /nfs/dbraw/zinc/97/36/91/343973691.db2.gz XPVHQVRYHBLQDB-GFCCVEGCSA-N 2 2 230.352 0.410 20 0 BCADLP CN(C)c1nc(N2CCn3cc[nH+]c3C2)cc[nH+]1 ZINC000408219540 344254470 /nfs/dbraw/zinc/25/44/70/344254470.db2.gz OFPCYTXJEJRRLX-UHFFFAOYSA-N 2 2 244.302 0.759 20 0 BCADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)[NH+](C)C ZINC000133289197 344316713 /nfs/dbraw/zinc/31/67/13/344316713.db2.gz VNPSSCPCZVMHGA-OUAUKWLOSA-N 2 2 200.326 0.951 20 0 BCADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)[NH+](C)C ZINC000133288971 344316877 /nfs/dbraw/zinc/31/68/77/344316877.db2.gz VNPSSCPCZVMHGA-GARJFASQSA-N 2 2 200.326 0.951 20 0 BCADLP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1[nH+]ccn1C ZINC000620599711 344333755 /nfs/dbraw/zinc/33/37/55/344333755.db2.gz HZACVQGULDFHLD-VHSXEESVSA-N 2 2 236.319 0.549 20 0 BCADLP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1[nH+]ccn1C ZINC000620599711 344333759 /nfs/dbraw/zinc/33/37/59/344333759.db2.gz HZACVQGULDFHLD-VHSXEESVSA-N 2 2 236.319 0.549 20 0 BCADLP COC(=O)c1cnc(C[N@H+](C)CCC[NH3+])cn1 ZINC000600700858 344359725 /nfs/dbraw/zinc/35/97/25/344359725.db2.gz FLNLAKXEEVDWQT-UHFFFAOYSA-N 2 2 238.291 0.044 20 0 BCADLP COC(=O)c1cnc(C[N@@H+](C)CCC[NH3+])cn1 ZINC000600700858 344359728 /nfs/dbraw/zinc/35/97/28/344359728.db2.gz FLNLAKXEEVDWQT-UHFFFAOYSA-N 2 2 238.291 0.044 20 0 BCADLP COC(=O)CCCC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000600704804 344360271 /nfs/dbraw/zinc/36/02/71/344360271.db2.gz QFUXDNJALMIYGL-GHMZBOCLSA-N 2 2 244.335 0.378 20 0 BCADLP COC(=O)CCCC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000600704804 344360272 /nfs/dbraw/zinc/36/02/72/344360272.db2.gz QFUXDNJALMIYGL-GHMZBOCLSA-N 2 2 244.335 0.378 20 0 BCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H]1C ZINC000093178709 344310107 /nfs/dbraw/zinc/31/01/07/344310107.db2.gz LBMSABPWOQZGLO-VXGBXAGGSA-N 2 2 239.363 0.491 20 0 BCADLP Cc1cnn(CC[N@H+]2C[C@H]([NH3+])C[C@@H]2C)c1 ZINC000385216071 344377401 /nfs/dbraw/zinc/37/74/01/344377401.db2.gz ZSCIBBSJMGRYKX-WDEREUQCSA-N 2 2 208.309 0.613 20 0 BCADLP Cc1cnn(CC[N@@H+]2C[C@H]([NH3+])C[C@@H]2C)c1 ZINC000385216071 344377402 /nfs/dbraw/zinc/37/74/02/344377402.db2.gz ZSCIBBSJMGRYKX-WDEREUQCSA-N 2 2 208.309 0.613 20 0 BCADLP COCCOCC[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000385227395 344378422 /nfs/dbraw/zinc/37/84/22/344378422.db2.gz IHJNWOAZYKLULL-NXEZZACHSA-N 2 2 202.298 0.071 20 0 BCADLP COCCOCC[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000385227395 344378423 /nfs/dbraw/zinc/37/84/23/344378423.db2.gz IHJNWOAZYKLULL-NXEZZACHSA-N 2 2 202.298 0.071 20 0 BCADLP c1nc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc(NCC2CC2)[nH+]1 ZINC000634809830 344394465 /nfs/dbraw/zinc/39/44/65/344394465.db2.gz CBDSCABBUUGMSK-IWIIMEHWSA-N 2 2 245.330 0.928 20 0 BCADLP c1nc(NCC2CC2)cc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[nH+]1 ZINC000634809830 344394468 /nfs/dbraw/zinc/39/44/68/344394468.db2.gz CBDSCABBUUGMSK-IWIIMEHWSA-N 2 2 245.330 0.928 20 0 BCADLP Nc1[nH+]cnc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1Cl ZINC000634809803 344394647 /nfs/dbraw/zinc/39/46/47/344394647.db2.gz BGYSDFTZZVYZLW-KCQQBQQISA-N 2 2 225.683 0.342 20 0 BCADLP Nc1nc[nH+]c(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1Cl ZINC000634809803 344394650 /nfs/dbraw/zinc/39/46/50/344394650.db2.gz BGYSDFTZZVYZLW-KCQQBQQISA-N 2 2 225.683 0.342 20 0 BCADLP C[C@H]1CN(c2nc[nH+]c3c2OCCN3)C[C@@H]1C[NH3+] ZINC000634812111 344397619 /nfs/dbraw/zinc/39/76/19/344397619.db2.gz AGGQSEYSOZMROC-IUCAKERBSA-N 2 2 249.318 0.312 20 0 BCADLP C[C@H]1CN(c2[nH+]cnc3c2OCCN3)C[C@@H]1C[NH3+] ZINC000634812111 344397621 /nfs/dbraw/zinc/39/76/21/344397621.db2.gz AGGQSEYSOZMROC-IUCAKERBSA-N 2 2 249.318 0.312 20 0 BCADLP c1nc(N[C@@H]2CCC[NH2+]CC2)c2c([nH+]1)NCCO2 ZINC000634813794 344399103 /nfs/dbraw/zinc/39/91/03/344399103.db2.gz XQOPIBMRQIUXOH-SECBINFHSA-N 2 2 249.318 0.835 20 0 BCADLP c1nc2c(c(N[C@@H]3CCC[NH2+]CC3)[nH+]1)OCCN2 ZINC000634813794 344399105 /nfs/dbraw/zinc/39/91/05/344399105.db2.gz XQOPIBMRQIUXOH-SECBINFHSA-N 2 2 249.318 0.835 20 0 BCADLP c1nc(N[C@H]2CCC[NH2+]CC2)c2c([nH+]1)NCCO2 ZINC000634813795 344399297 /nfs/dbraw/zinc/39/92/97/344399297.db2.gz XQOPIBMRQIUXOH-VIFPVBQESA-N 2 2 249.318 0.835 20 0 BCADLP c1nc2c(c(N[C@H]3CCC[NH2+]CC3)[nH+]1)OCCN2 ZINC000634813795 344399299 /nfs/dbraw/zinc/39/92/99/344399299.db2.gz XQOPIBMRQIUXOH-VIFPVBQESA-N 2 2 249.318 0.835 20 0 BCADLP Cc1c[nH]c(CN2CC[C@H]3C[N@H+](C)C[C@H]32)[nH+]1 ZINC000628291869 347052104 /nfs/dbraw/zinc/05/21/04/347052104.db2.gz YDELSNOARHYGCG-WDEREUQCSA-N 2 2 220.320 0.854 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccoc1)C1CC1 ZINC000381274547 344501781 /nfs/dbraw/zinc/50/17/81/344501781.db2.gz WNOCMFKBXCGHEO-LBPRGKRZSA-N 2 2 224.304 0.824 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccoc1)C1CC1 ZINC000381274547 344501783 /nfs/dbraw/zinc/50/17/83/344501783.db2.gz WNOCMFKBXCGHEO-LBPRGKRZSA-N 2 2 224.304 0.824 20 0 BCADLP Cn1ccnc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044530355 344541158 /nfs/dbraw/zinc/54/11/58/344541158.db2.gz FCAPOEHDNWAZKI-JTQLQIEISA-N 2 2 208.309 0.591 20 0 BCADLP Cn1ccnc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044530355 344541159 /nfs/dbraw/zinc/54/11/59/344541159.db2.gz FCAPOEHDNWAZKI-JTQLQIEISA-N 2 2 208.309 0.591 20 0 BCADLP Cn1cc[nH+]c1CN1CCC[C@@H](C[NH3+])C1 ZINC000044530355 344541160 /nfs/dbraw/zinc/54/11/60/344541160.db2.gz FCAPOEHDNWAZKI-JTQLQIEISA-N 2 2 208.309 0.591 20 0 BCADLP CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC([NH2+]C)CC1 ZINC000037536907 344550433 /nfs/dbraw/zinc/55/04/33/344550433.db2.gz XEUDQKLYRFKZIA-MNOVXSKESA-N 2 2 241.379 0.973 20 0 BCADLP C[C@@H]1C[N@H+](CCN2CC[C@@H]([NH3+])[C@@H](C)C2)CCO1 ZINC000573966913 344578936 /nfs/dbraw/zinc/57/89/36/344578936.db2.gz AHBBVKDOHBXBGF-YNEHKIRRSA-N 2 2 241.379 0.376 20 0 BCADLP C[C@@H]1C[N@@H+](CCN2CC[C@@H]([NH3+])[C@@H](C)C2)CCO1 ZINC000573966913 344578939 /nfs/dbraw/zinc/57/89/39/344578939.db2.gz AHBBVKDOHBXBGF-YNEHKIRRSA-N 2 2 241.379 0.376 20 0 BCADLP NC(=O)CC[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000570920710 323074346 /nfs/dbraw/zinc/07/43/46/323074346.db2.gz VBPXGCWZQHXKLG-JTQLQIEISA-N 2 2 225.336 0.468 20 0 BCADLP NC(=O)CC[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000570920710 323074347 /nfs/dbraw/zinc/07/43/47/323074347.db2.gz VBPXGCWZQHXKLG-JTQLQIEISA-N 2 2 225.336 0.468 20 0 BCADLP OC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000050103610 344719916 /nfs/dbraw/zinc/71/99/16/344719916.db2.gz OVJDDPDCRLHORN-UHFFFAOYSA-N 2 2 209.293 0.730 20 0 BCADLP O[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000050103560 344720043 /nfs/dbraw/zinc/72/00/43/344720043.db2.gz GSLBQZAQGKJQAC-LLVKDONJSA-N 2 2 209.293 0.730 20 0 BCADLP O[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000050103560 344720044 /nfs/dbraw/zinc/72/00/44/344720044.db2.gz GSLBQZAQGKJQAC-LLVKDONJSA-N 2 2 209.293 0.730 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337231762 537856054 /nfs/dbraw/zinc/85/60/54/537856054.db2.gz UVTKGUDEUCFKEH-NSHDSACASA-N 2 2 227.352 0.668 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337231762 537856064 /nfs/dbraw/zinc/85/60/64/537856064.db2.gz UVTKGUDEUCFKEH-NSHDSACASA-N 2 2 227.352 0.668 20 0 BCADLP Cn1c[nH+]c(CSC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000603341485 349918722 /nfs/dbraw/zinc/91/87/22/349918722.db2.gz DJLLCJYESFXSPH-NSHDSACASA-N 2 2 241.360 0.984 20 0 BCADLP Cn1c[nH+]c(CSC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000603341485 349918724 /nfs/dbraw/zinc/91/87/24/349918724.db2.gz DJLLCJYESFXSPH-NSHDSACASA-N 2 2 241.360 0.984 20 0 BCADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CC(F)(F)F ZINC000307960462 323078443 /nfs/dbraw/zinc/07/84/43/323078443.db2.gz WEQRJBBRPQPDBE-DTWKUNHWSA-N 2 2 240.269 0.984 20 0 BCADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CC(F)(F)F ZINC000307960462 323078442 /nfs/dbraw/zinc/07/84/42/323078442.db2.gz WEQRJBBRPQPDBE-DTWKUNHWSA-N 2 2 240.269 0.984 20 0 BCADLP Cc1nn(C)cc1C[NH2+]CCn1cc[nH+]c1 ZINC000125927994 187296273 /nfs/dbraw/zinc/29/62/73/187296273.db2.gz AGKSBVRFCBWTJH-UHFFFAOYSA-N 2 2 219.292 0.715 20 0 BCADLP Cc1c[nH]c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)[nH+]1 ZINC000628191623 344946029 /nfs/dbraw/zinc/94/60/29/344946029.db2.gz QPPJAMGBZOHSIN-NXEZZACHSA-N 2 2 206.293 0.369 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000154302925 345025936 /nfs/dbraw/zinc/02/59/36/345025936.db2.gz XXNMEYNELWPRSA-VOAKCMCISA-N 3 2 243.395 0.227 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000154302925 345025942 /nfs/dbraw/zinc/02/59/42/345025942.db2.gz XXNMEYNELWPRSA-VOAKCMCISA-N 3 2 243.395 0.227 20 0 BCADLP C[C@@H]1C[N@H+](CCO)CCN1c1cc[nH+]cc1F ZINC000641625082 362557889 /nfs/dbraw/zinc/55/78/89/362557889.db2.gz ONDOWOUJNXRWIT-SNVBAGLBSA-N 2 2 239.294 0.724 20 0 BCADLP C[C@@H]1C[N@@H+](CCO)CCN1c1cc[nH+]cc1F ZINC000641625082 362557892 /nfs/dbraw/zinc/55/78/92/362557892.db2.gz ONDOWOUJNXRWIT-SNVBAGLBSA-N 2 2 239.294 0.724 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)CC[N@@H+]1C ZINC000155864885 345108917 /nfs/dbraw/zinc/10/89/17/345108917.db2.gz IBYJUUMRZORNSY-VGMNWLOBSA-N 2 2 240.269 0.982 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)CC[N@H+]1C ZINC000155864885 345108918 /nfs/dbraw/zinc/10/89/18/345108918.db2.gz IBYJUUMRZORNSY-VGMNWLOBSA-N 2 2 240.269 0.982 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000634991302 345174069 /nfs/dbraw/zinc/17/40/69/345174069.db2.gz YHWXBCJHVUYWMO-UTUOFQBUSA-N 3 2 213.369 0.886 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000634991302 345174072 /nfs/dbraw/zinc/17/40/72/345174072.db2.gz YHWXBCJHVUYWMO-UTUOFQBUSA-N 3 2 213.369 0.886 20 0 BCADLP C[N@H+](C[C@@H]1CCCO1)CC12CC(C1)C[NH2+]2 ZINC000634991458 345177761 /nfs/dbraw/zinc/17/77/61/345177761.db2.gz FMDWNFLLTFESNX-CXQJBGSLSA-N 2 2 210.321 0.849 20 0 BCADLP C[N@@H+](C[C@@H]1CCCO1)CC12CC(C1)C[NH2+]2 ZINC000634991458 345177764 /nfs/dbraw/zinc/17/77/64/345177764.db2.gz FMDWNFLLTFESNX-CXQJBGSLSA-N 2 2 210.321 0.849 20 0 BCADLP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634991764 345178417 /nfs/dbraw/zinc/17/84/17/345178417.db2.gz QUOMVDIMYSYXDN-MSLYCWSTSA-N 2 2 237.347 0.324 20 0 BCADLP C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634991764 345178421 /nfs/dbraw/zinc/17/84/21/345178421.db2.gz QUOMVDIMYSYXDN-MSLYCWSTSA-N 2 2 237.347 0.324 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000634991737 345178505 /nfs/dbraw/zinc/17/85/05/345178505.db2.gz PVACGGNUJSXGDT-UTUOFQBUSA-N 3 2 229.368 0.265 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000634991737 345178506 /nfs/dbraw/zinc/17/85/06/345178506.db2.gz PVACGGNUJSXGDT-UTUOFQBUSA-N 3 2 229.368 0.265 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC34CC(C3)C[NH2+]4)C[C@@H]21 ZINC000634991688 345178508 /nfs/dbraw/zinc/17/85/08/345178508.db2.gz OBWPURSSIWWJQS-ANNIKCPVSA-N 3 2 235.375 0.798 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC34CC(C3)C[NH2+]4)C[C@@H]21 ZINC000634991688 345178509 /nfs/dbraw/zinc/17/85/09/345178509.db2.gz OBWPURSSIWWJQS-ANNIKCPVSA-N 3 2 235.375 0.798 20 0 BCADLP CO[C@@H]1C[N@H+](CC23CC(C2)C[NH2+]3)C[C@@H]1OC ZINC000634995191 345183389 /nfs/dbraw/zinc/18/33/89/345183389.db2.gz XWSCGSAWNYZVDI-WSVSKBAQSA-N 2 2 226.320 0.084 20 0 BCADLP CO[C@@H]1C[N@@H+](CC23CC(C2)C[NH2+]3)C[C@@H]1OC ZINC000634995191 345183393 /nfs/dbraw/zinc/18/33/93/345183393.db2.gz XWSCGSAWNYZVDI-WSVSKBAQSA-N 2 2 226.320 0.084 20 0 BCADLP CC(C)[C@H]([NH3+])C[NH2+]C[C@H](C[NH3+])C(C)C ZINC000634995133 345183837 /nfs/dbraw/zinc/18/38/37/345183837.db2.gz VWPAKBCBMJNOQP-WDEREUQCSA-N 3 2 201.358 0.790 20 0 BCADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC13CC(C1)C[NH2+]3)C2 ZINC000634996654 345191081 /nfs/dbraw/zinc/19/10/81/345191081.db2.gz QAEFOOIHJBTPTK-QPPOZKHWSA-N 3 2 235.375 0.799 20 0 BCADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC13CC(C1)C[NH2+]3)C2 ZINC000634996654 345191083 /nfs/dbraw/zinc/19/10/83/345191083.db2.gz QAEFOOIHJBTPTK-QPPOZKHWSA-N 3 2 235.375 0.799 20 0 BCADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634949510 345126165 /nfs/dbraw/zinc/12/61/65/345126165.db2.gz STKRWPWPZLNSNL-JTQLQIEISA-N 2 2 227.352 0.585 20 0 BCADLP CCNC(=O)C(C)(C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634996902 345186940 /nfs/dbraw/zinc/18/69/40/345186940.db2.gz YLBWYXYOIOFUGJ-UHFFFAOYSA-N 2 2 225.336 0.243 20 0 BCADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000634966486 345139443 /nfs/dbraw/zinc/13/94/43/345139443.db2.gz OCORQYVDFBFMAH-NEPJUHHUSA-N 2 2 239.363 0.587 20 0 BCADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000634966486 345139447 /nfs/dbraw/zinc/13/94/47/345139447.db2.gz OCORQYVDFBFMAH-NEPJUHHUSA-N 2 2 239.363 0.587 20 0 BCADLP CC(C)[C@@H](C[NH3+])C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000634996577 345188544 /nfs/dbraw/zinc/18/85/44/345188544.db2.gz OIKGNHTWLUKEMF-NWDGAFQWSA-N 3 2 229.368 0.267 20 0 BCADLP CC(C)[C@@H](C[NH3+])C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000634996577 345188545 /nfs/dbraw/zinc/18/85/45/345188545.db2.gz OIKGNHTWLUKEMF-NWDGAFQWSA-N 3 2 229.368 0.267 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635059194 345232704 /nfs/dbraw/zinc/23/27/04/345232704.db2.gz SJOJSLFCPTWSLN-SNVBAGLBSA-N 2 2 213.325 0.101 20 0 BCADLP CCc1c[nH]c(CC(=O)NCCC[NH+](C)C)[nH+]1 ZINC000635070444 345239505 /nfs/dbraw/zinc/23/95/05/345239505.db2.gz UZWVNASDNOOARW-UHFFFAOYSA-N 2 2 238.335 0.583 20 0 BCADLP C[C@H]([NH3+])C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000157222789 345249451 /nfs/dbraw/zinc/24/94/51/345249451.db2.gz FJTGUDIZNOIUFW-JTQLQIEISA-N 2 2 244.298 0.836 20 0 BCADLP C[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C[NH3+] ZINC000634999781 345201143 /nfs/dbraw/zinc/20/11/43/345201143.db2.gz YWEHLAJHRIANGV-NXEZZACHSA-N 2 2 208.309 0.447 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C[NH3+] ZINC000634999781 345201145 /nfs/dbraw/zinc/20/11/45/345201145.db2.gz YWEHLAJHRIANGV-NXEZZACHSA-N 2 2 208.309 0.447 20 0 BCADLP C[C@H](C(=O)N(C)Cc1[nH+]ccn1C)[NH+](C)C ZINC000635126813 345254388 /nfs/dbraw/zinc/25/43/88/345254388.db2.gz KBQCBPSXRJKVAU-SECBINFHSA-N 2 2 224.308 0.329 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCC1CCC1 ZINC000566569126 345218990 /nfs/dbraw/zinc/21/89/90/345218990.db2.gz ISEQXQDNILLSNJ-ZYHUDNBSSA-N 2 2 239.363 0.714 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCC1CCC1 ZINC000566569126 345218993 /nfs/dbraw/zinc/21/89/93/345218993.db2.gz ISEQXQDNILLSNJ-ZYHUDNBSSA-N 2 2 239.363 0.714 20 0 BCADLP CCC[C@H]([NH3+])C(=O)NCCc1[nH]cc[nH+]1 ZINC000158542996 345347053 /nfs/dbraw/zinc/34/70/53/345347053.db2.gz IGPKHTCNZIZCEA-QMMMGPOBSA-N 2 2 210.281 0.196 20 0 BCADLP C[C@]1(C(=O)NCCc2[nH]cc[nH+]2)CC[NH2+]C1 ZINC000158544417 345347213 /nfs/dbraw/zinc/34/72/13/345347213.db2.gz UYYJAHKCOZAKER-NSHDSACASA-N 2 2 222.292 0.068 20 0 BCADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCCC[NH2+]1 ZINC000158544104 345347265 /nfs/dbraw/zinc/34/72/65/345347265.db2.gz OSAYHWZFEOMYNY-VIFPVBQESA-N 2 2 222.292 0.211 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000133452210 345375962 /nfs/dbraw/zinc/37/59/62/345375962.db2.gz OXPGGBKBIKNVMQ-QJPTWQEYSA-N 2 2 229.368 0.245 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000133452210 345375966 /nfs/dbraw/zinc/37/59/66/345375966.db2.gz OXPGGBKBIKNVMQ-QJPTWQEYSA-N 2 2 229.368 0.245 20 0 BCADLP CCCC[C@H]([NH3+])C(=O)NCCc1[nH]cc[nH+]1 ZINC000159105404 345409634 /nfs/dbraw/zinc/40/96/34/345409634.db2.gz HCFLPMDXUBYYOA-VIFPVBQESA-N 2 2 224.308 0.586 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961793 345455230 /nfs/dbraw/zinc/45/52/30/345455230.db2.gz DXZBIPQQZQBSHQ-UWVGGRQHSA-N 2 2 236.319 0.853 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961793 345455232 /nfs/dbraw/zinc/45/52/32/345455232.db2.gz DXZBIPQQZQBSHQ-UWVGGRQHSA-N 2 2 236.319 0.853 20 0 BCADLP [NH3+]CC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000082275047 345500687 /nfs/dbraw/zinc/50/06/87/345500687.db2.gz VDTOMGDTRXQNLG-MRVPVSSYSA-N 2 2 208.265 0.422 20 0 BCADLP C[N@H+](CC(N)=O)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968305 345456153 /nfs/dbraw/zinc/45/61/53/345456153.db2.gz AQEIXLCQGBYLHD-UHFFFAOYSA-N 2 2 248.330 0.468 20 0 BCADLP C[N@@H+](CC(N)=O)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968305 345456155 /nfs/dbraw/zinc/45/61/55/345456155.db2.gz AQEIXLCQGBYLHD-UHFFFAOYSA-N 2 2 248.330 0.468 20 0 BCADLP C[NH+](C)CC(C)(C)CNC(=O)Cn1cc[nH+]c1 ZINC000081234344 345468188 /nfs/dbraw/zinc/46/81/88/345468188.db2.gz AJDMROPVEBCQJE-UHFFFAOYSA-N 2 2 238.335 0.587 20 0 BCADLP COC[C@@](C)(CCO)[NH2+]CC[NH+]1CCCCC1 ZINC000085903635 345536021 /nfs/dbraw/zinc/53/60/21/345536021.db2.gz NKYBGYCXBHSIQA-CYBMUJFWSA-N 2 2 244.379 0.849 20 0 BCADLP CN(C)c1cc[nH+]c(NCC[NH+](C)C)n1 ZINC000090998116 345578906 /nfs/dbraw/zinc/57/89/06/345578906.db2.gz YQKIMHKYRYOMIW-UHFFFAOYSA-N 2 2 209.297 0.516 20 0 BCADLP NC(=O)c1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000107577920 345568781 /nfs/dbraw/zinc/56/87/81/345568781.db2.gz ISKNAPZPFTXUGS-CHWSQXEVSA-N 2 2 245.326 0.437 20 0 BCADLP Cc1cc(NC(=O)[C@@H](C)[NH+](C)C)cc[nH+]1 ZINC000635552645 345638548 /nfs/dbraw/zinc/63/85/48/345638548.db2.gz TVAWOJAJSWGIIW-SECBINFHSA-N 2 2 207.277 0.701 20 0 BCADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(F)cn1 ZINC000092747264 345642665 /nfs/dbraw/zinc/64/26/65/345642665.db2.gz HVOOELAIZXUMGP-ONGXEEELSA-N 2 2 241.310 0.794 20 0 BCADLP Cc1ccc(C[NH2+]C[C@H]2C[NH2+]CCN2C)cc1 ZINC000211136802 345737202 /nfs/dbraw/zinc/73/72/02/345737202.db2.gz WSPBSEPOWVVAJG-CQSZACIVSA-N 2 2 233.359 0.988 20 0 BCADLP CC[NH+](CC)CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000381470471 346001651 /nfs/dbraw/zinc/00/16/51/346001651.db2.gz OIBBFDTUZMCWCI-BETUJISGSA-N 3 2 225.380 0.870 20 0 BCADLP CC[NH+](CC)CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000381470471 346001656 /nfs/dbraw/zinc/00/16/56/346001656.db2.gz OIBBFDTUZMCWCI-BETUJISGSA-N 3 2 225.380 0.870 20 0 BCADLP CCC[NH2+][C@@H](C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662935707 537935784 /nfs/dbraw/zinc/93/57/84/537935784.db2.gz XZOOAYHIKASPFJ-ZJUUUORDSA-N 2 2 238.335 0.985 20 0 BCADLP C[C@H](C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000635715483 346026868 /nfs/dbraw/zinc/02/68/68/346026868.db2.gz JUPXHHOYHKTWEH-RKDXNWHRSA-N 2 2 236.319 0.333 20 0 BCADLP C[C@H](C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000635715483 346026870 /nfs/dbraw/zinc/02/68/70/346026870.db2.gz JUPXHHOYHKTWEH-RKDXNWHRSA-N 2 2 236.319 0.333 20 0 BCADLP Cc1c(C[N@H+](C)CC(C)(C)[NH3+])cnn1C ZINC000381490024 346041375 /nfs/dbraw/zinc/04/13/75/346041375.db2.gz XBTWAIFFOOMJER-UHFFFAOYSA-N 2 2 210.325 0.898 20 0 BCADLP Cc1c(C[N@@H+](C)CC(C)(C)[NH3+])cnn1C ZINC000381490024 346041378 /nfs/dbraw/zinc/04/13/78/346041378.db2.gz XBTWAIFFOOMJER-UHFFFAOYSA-N 2 2 210.325 0.898 20 0 BCADLP C[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1[nH+]ccn1C ZINC000662935780 537935160 /nfs/dbraw/zinc/93/51/60/537935160.db2.gz ZQFKHAWVVTZUKS-UWVGGRQHSA-N 2 2 236.319 0.739 20 0 BCADLP COC(=O)[C@H](CC(C)C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000586760917 346067415 /nfs/dbraw/zinc/06/74/15/346067415.db2.gz RUWQEOXWIXKNCT-UTUOFQBUSA-N 2 2 240.347 0.725 20 0 BCADLP Cc1cn2c([nH+]1)CN(C(=O)[C@@H](C)[NH+](C)C)CC2 ZINC000635786541 346069629 /nfs/dbraw/zinc/06/96/29/346069629.db2.gz MREKQPUXJVRWLR-SNVBAGLBSA-N 2 2 236.319 0.484 20 0 BCADLP CC[C@H](NC(=O)[C@@H](C)[NH+](C)C)c1[nH]cc[nH+]1 ZINC000635808429 346073285 /nfs/dbraw/zinc/07/32/85/346073285.db2.gz UOQNTEYQJDAAFJ-BDAKNGLRSA-N 2 2 224.308 0.927 20 0 BCADLP C[C@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)[NH+](C)C ZINC000635821339 346076963 /nfs/dbraw/zinc/07/69/63/346076963.db2.gz VYUOPMLHPWOBKG-ZJUUUORDSA-N 2 2 236.319 0.264 20 0 BCADLP C[NH+](C)CC1(C(=O)N2CCc3[nH]c[nH+]c3C2)CC1 ZINC000635942379 346117451 /nfs/dbraw/zinc/11/74/51/346117451.db2.gz FFHLOWXBGMHEGG-UHFFFAOYSA-N 2 2 248.330 0.636 20 0 BCADLP C[NH+](C)CC1(C(=O)N2CCc3[nH+]c[nH]c3C2)CC1 ZINC000635942379 346117453 /nfs/dbraw/zinc/11/74/53/346117453.db2.gz FFHLOWXBGMHEGG-UHFFFAOYSA-N 2 2 248.330 0.636 20 0 BCADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000636029131 346163829 /nfs/dbraw/zinc/16/38/29/346163829.db2.gz ICMKTOIAVQCTPS-GMTAPVOTSA-N 2 2 248.330 0.724 20 0 BCADLP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000636029131 346163831 /nfs/dbraw/zinc/16/38/31/346163831.db2.gz ICMKTOIAVQCTPS-GMTAPVOTSA-N 2 2 248.330 0.724 20 0 BCADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000636029131 346163833 /nfs/dbraw/zinc/16/38/33/346163833.db2.gz ICMKTOIAVQCTPS-GMTAPVOTSA-N 2 2 248.330 0.724 20 0 BCADLP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000636029131 346163836 /nfs/dbraw/zinc/16/38/36/346163836.db2.gz ICMKTOIAVQCTPS-GMTAPVOTSA-N 2 2 248.330 0.724 20 0 BCADLP Cc1nc(C)c(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)o1 ZINC000628239622 346200654 /nfs/dbraw/zinc/20/06/54/346200654.db2.gz YQBQLFMSRQYNPV-LBPRGKRZSA-N 2 2 239.319 0.448 20 0 BCADLP Cc1nc(C)c(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)o1 ZINC000628239622 346200656 /nfs/dbraw/zinc/20/06/56/346200656.db2.gz YQBQLFMSRQYNPV-LBPRGKRZSA-N 2 2 239.319 0.448 20 0 BCADLP Cc1ncc(C[NH2+]C[C@](C)(O)C[NH+](C)C)o1 ZINC000628230162 346179378 /nfs/dbraw/zinc/17/93/78/346179378.db2.gz VBAFLUAKVVQTKA-NSHDSACASA-N 2 2 227.308 0.385 20 0 BCADLP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)S(C)(=O)=O ZINC000381517187 346231485 /nfs/dbraw/zinc/23/14/85/346231485.db2.gz SPTMOPVFQMDLAW-OUAUKWLOSA-N 2 2 248.392 0.349 20 0 BCADLP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)S(C)(=O)=O ZINC000381517187 346231487 /nfs/dbraw/zinc/23/14/87/346231487.db2.gz SPTMOPVFQMDLAW-OUAUKWLOSA-N 2 2 248.392 0.349 20 0 BCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccncc1N ZINC000641743564 362669561 /nfs/dbraw/zinc/66/95/61/362669561.db2.gz RKGFMZMBRQXCKU-LBPRGKRZSA-N 2 2 238.335 0.066 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]Cc1ccncc1N ZINC000641747023 362674269 /nfs/dbraw/zinc/67/42/69/362674269.db2.gz DNWHJHWUDTUQHP-UHFFFAOYSA-N 2 2 238.335 0.068 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccncc1N ZINC000641747023 362674272 /nfs/dbraw/zinc/67/42/72/362674272.db2.gz DNWHJHWUDTUQHP-UHFFFAOYSA-N 2 2 238.335 0.068 20 0 BCADLP Cn1c[nH+]c(CC[NH2+]Cc2ccncc2N)c1 ZINC000641761663 362684656 /nfs/dbraw/zinc/68/46/56/362684656.db2.gz YQFHPBZJSRTKKI-UHFFFAOYSA-N 2 2 231.303 0.730 20 0 BCADLP Cc1nc(C[NH+]2CCC(CC[NH3+])CC2)no1 ZINC000069729895 349953738 /nfs/dbraw/zinc/95/37/38/349953738.db2.gz YJYBTYUIPMZYDE-UHFFFAOYSA-N 2 2 224.308 0.939 20 0 BCADLP CCOCC[C@@H](O)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000571073814 537972678 /nfs/dbraw/zinc/97/26/78/537972678.db2.gz DDYWKSIUJSHQGF-NWDGAFQWSA-N 2 2 241.335 0.649 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000381588685 346391979 /nfs/dbraw/zinc/39/19/79/346391979.db2.gz CNSKATDZGTYKRE-OUAUKWLOSA-N 2 2 225.336 0.147 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000381588685 346391983 /nfs/dbraw/zinc/39/19/83/346391983.db2.gz CNSKATDZGTYKRE-OUAUKWLOSA-N 2 2 225.336 0.147 20 0 BCADLP [NH3+]CCc1cn(Cc2cn3ccccc3[nH+]2)nn1 ZINC000158182945 346392215 /nfs/dbraw/zinc/39/22/15/346392215.db2.gz JQFZOIQUNXFYTN-UHFFFAOYSA-N 2 2 242.286 0.475 20 0 BCADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CC[C@@H]1[NH3+] ZINC000641795867 362736744 /nfs/dbraw/zinc/73/67/44/362736744.db2.gz APDPFBASMYPSBI-PWSUYJOCSA-N 3 2 222.336 0.632 20 0 BCADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CC[C@@H]1[NH3+] ZINC000641795867 362736747 /nfs/dbraw/zinc/73/67/47/362736747.db2.gz APDPFBASMYPSBI-PWSUYJOCSA-N 3 2 222.336 0.632 20 0 BCADLP Cn1c[nH+]cc1CC[NH2+]CC1([NH3+])CCC1 ZINC000641797797 362738919 /nfs/dbraw/zinc/73/89/19/362738919.db2.gz HLPXFOMTSQYXFQ-UHFFFAOYSA-N 3 2 208.309 0.434 20 0 BCADLP CCCn1ncnc1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641800627 362752207 /nfs/dbraw/zinc/75/22/07/362752207.db2.gz CAKDSRNPJZIKNL-VHSXEESVSA-N 2 2 237.351 0.904 20 0 BCADLP Cc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)nn1C ZINC000641801096 362755028 /nfs/dbraw/zinc/75/50/28/362755028.db2.gz NBRSUZVYAKNSLO-GHMZBOCLSA-N 2 2 222.336 0.944 20 0 BCADLP Cc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)nn1C ZINC000641801098 362755623 /nfs/dbraw/zinc/75/56/23/362755623.db2.gz NBRSUZVYAKNSLO-QWRGUYRKSA-N 2 2 222.336 0.944 20 0 BCADLP c1cc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)on1 ZINC000580325461 347095756 /nfs/dbraw/zinc/09/57/56/347095756.db2.gz OUDSRJHFCOOFLZ-UHFFFAOYSA-N 2 2 233.275 0.720 20 0 BCADLP CC[C@H](C)CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000164535678 346608335 /nfs/dbraw/zinc/60/83/35/346608335.db2.gz ZHGQFIOBXCTBOI-QWRGUYRKSA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@H](C)CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000164535678 346608336 /nfs/dbraw/zinc/60/83/36/346608336.db2.gz ZHGQFIOBXCTBOI-QWRGUYRKSA-N 2 2 227.352 0.524 20 0 BCADLP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1COC[C@H]1O ZINC000352807216 187370076 /nfs/dbraw/zinc/37/00/76/187370076.db2.gz WQXAKHSPXITLRC-IJLUTSLNSA-N 2 2 228.336 0.162 20 0 BCADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1COC[C@H]1O ZINC000352807216 187370078 /nfs/dbraw/zinc/37/00/78/187370078.db2.gz WQXAKHSPXITLRC-IJLUTSLNSA-N 2 2 228.336 0.162 20 0 BCADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1COC[C@H]1O ZINC000352807216 187370080 /nfs/dbraw/zinc/37/00/80/187370080.db2.gz WQXAKHSPXITLRC-IJLUTSLNSA-N 2 2 228.336 0.162 20 0 BCADLP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1COC[C@H]1O ZINC000352807216 187370082 /nfs/dbraw/zinc/37/00/82/187370082.db2.gz WQXAKHSPXITLRC-IJLUTSLNSA-N 2 2 228.336 0.162 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209369559 346735898 /nfs/dbraw/zinc/73/58/98/346735898.db2.gz LREFMSSFWCNKIB-MNOVXSKESA-N 2 2 234.303 0.094 20 0 BCADLP CC[C@@H]1C(=O)NCC[N@H+]1CCCn1cc[nH+]c1 ZINC000182791644 347106344 /nfs/dbraw/zinc/10/63/44/347106344.db2.gz OFJHCSNSERMXEM-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP CC[C@@H]1C(=O)NCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182791644 347106345 /nfs/dbraw/zinc/10/63/45/347106345.db2.gz OFJHCSNSERMXEM-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@]12CCNC2=O ZINC000577188628 365866784 /nfs/dbraw/zinc/86/67/84/365866784.db2.gz JPKFNLOIDVTHSK-ZDUSSCGKSA-N 2 2 248.330 0.317 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@]12CCNC2=O ZINC000577188628 365866790 /nfs/dbraw/zinc/86/67/90/365866790.db2.gz JPKFNLOIDVTHSK-ZDUSSCGKSA-N 2 2 248.330 0.317 20 0 BCADLP [NH3+]CC1(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622004035 370653128 /nfs/dbraw/zinc/65/31/28/370653128.db2.gz JFKHMEHWMROVTO-ZYHUDNBSSA-N 3 2 209.337 0.539 20 0 BCADLP [NH3+]CC1(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622004035 370653132 /nfs/dbraw/zinc/65/31/32/370653132.db2.gz JFKHMEHWMROVTO-ZYHUDNBSSA-N 3 2 209.337 0.539 20 0 BCADLP CCOC(=O)CC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000601330804 347221412 /nfs/dbraw/zinc/22/14/12/347221412.db2.gz XOERIRZTYHOGDK-IUCAKERBSA-N 2 2 200.282 0.361 20 0 BCADLP CCOC(=O)CC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000601330804 347221414 /nfs/dbraw/zinc/22/14/14/347221414.db2.gz XOERIRZTYHOGDK-IUCAKERBSA-N 2 2 200.282 0.361 20 0 BCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](C)COC ZINC000187811988 347265616 /nfs/dbraw/zinc/26/56/16/347265616.db2.gz DBMMPAPPCBVWIP-CHWSQXEVSA-N 2 2 244.379 0.969 20 0 BCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](C)COC ZINC000187811988 347265617 /nfs/dbraw/zinc/26/56/17/347265617.db2.gz DBMMPAPPCBVWIP-CHWSQXEVSA-N 2 2 244.379 0.969 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H]1C ZINC000310403950 347278573 /nfs/dbraw/zinc/27/85/73/347278573.db2.gz NSZZIXOXXMHXHC-AVGNSLFASA-N 2 2 244.379 0.656 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H]1C ZINC000310403950 347278575 /nfs/dbraw/zinc/27/85/75/347278575.db2.gz NSZZIXOXXMHXHC-AVGNSLFASA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000310403950 347278580 /nfs/dbraw/zinc/27/85/80/347278580.db2.gz NSZZIXOXXMHXHC-AVGNSLFASA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000310403950 347278583 /nfs/dbraw/zinc/27/85/83/347278583.db2.gz NSZZIXOXXMHXHC-AVGNSLFASA-N 2 2 244.379 0.656 20 0 BCADLP CC[C@H](C[N@H+](C)C1CC[NH+](CCO)CC1)OC ZINC000419224491 192106147 /nfs/dbraw/zinc/10/61/47/192106147.db2.gz ZOQKNJIXIPQXPZ-CYBMUJFWSA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@H](C[N@@H+](C)C1CC[NH+](CCO)CC1)OC ZINC000419224491 192106149 /nfs/dbraw/zinc/10/61/49/192106149.db2.gz ZOQKNJIXIPQXPZ-CYBMUJFWSA-N 2 2 244.379 0.800 20 0 BCADLP CC(C)[C@H]1C[NH2+]CCN1Cc1c[nH+]cn1C ZINC000388461590 347417145 /nfs/dbraw/zinc/41/71/45/347417145.db2.gz ZHQUWUDDCIJGEY-GFCCVEGCSA-N 2 2 222.336 0.850 20 0 BCADLP CC(C)[C@@H](C(=O)N(C)Cc1c[nH+]c[nH]1)[NH+](C)C ZINC000616924349 347455170 /nfs/dbraw/zinc/45/51/70/347455170.db2.gz FPMPSRYJELXXFJ-NSHDSACASA-N 2 2 238.335 0.954 20 0 BCADLP CC(C)[C@@H](C(=O)N(C)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC000616924349 347455171 /nfs/dbraw/zinc/45/51/71/347455171.db2.gz FPMPSRYJELXXFJ-NSHDSACASA-N 2 2 238.335 0.954 20 0 BCADLP CCC[N@H+](C)CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616925382 347456285 /nfs/dbraw/zinc/45/62/85/347456285.db2.gz FVYSOTPINBUXFB-UHFFFAOYSA-N 2 2 224.308 0.710 20 0 BCADLP CCC[N@@H+](C)CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616925382 347456291 /nfs/dbraw/zinc/45/62/91/347456291.db2.gz FVYSOTPINBUXFB-UHFFFAOYSA-N 2 2 224.308 0.710 20 0 BCADLP CCC[N@H+](C)CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616925382 347456294 /nfs/dbraw/zinc/45/62/94/347456294.db2.gz FVYSOTPINBUXFB-UHFFFAOYSA-N 2 2 224.308 0.710 20 0 BCADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000396753676 362832974 /nfs/dbraw/zinc/83/29/74/362832974.db2.gz YGVVIFDEGWYCJB-MNOVXSKESA-N 2 2 225.336 0.339 20 0 BCADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000396753676 362832978 /nfs/dbraw/zinc/83/29/78/362832978.db2.gz YGVVIFDEGWYCJB-MNOVXSKESA-N 2 2 225.336 0.339 20 0 BCADLP Cc1cccc2[nH+]c(CNC(=O)[C@@H](C)[NH3+])cn21 ZINC000083909215 179229645 /nfs/dbraw/zinc/22/96/45/179229645.db2.gz UUMDKCCXCUUATJ-SECBINFHSA-N 2 2 232.287 0.606 20 0 BCADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000392643639 347605725 /nfs/dbraw/zinc/60/57/25/347605725.db2.gz BQASWWGRAPBHPE-LLVKDONJSA-N 2 2 221.304 0.971 20 0 BCADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000392643639 347605728 /nfs/dbraw/zinc/60/57/28/347605728.db2.gz BQASWWGRAPBHPE-LLVKDONJSA-N 2 2 221.304 0.971 20 0 BCADLP COC(=O)[C@H]([NH2+]CCc1c[nH+]cn1C)C(C)C ZINC000590956102 347594147 /nfs/dbraw/zinc/59/41/47/347594147.db2.gz SKMUMRNQJRQXIR-LLVKDONJSA-N 2 2 239.319 0.750 20 0 BCADLP Cn1cnnc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591869102 347704255 /nfs/dbraw/zinc/70/42/55/347704255.db2.gz JWCXFVLQPXGSKZ-LLVKDONJSA-N 2 2 246.318 0.849 20 0 BCADLP Cn1cnnc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591869102 347704257 /nfs/dbraw/zinc/70/42/57/347704257.db2.gz JWCXFVLQPXGSKZ-LLVKDONJSA-N 2 2 246.318 0.849 20 0 BCADLP OCCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867611 347707593 /nfs/dbraw/zinc/70/75/93/347707593.db2.gz QBYLLYCAHAEGNZ-LLVKDONJSA-N 2 2 209.293 0.902 20 0 BCADLP OCCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867611 347707595 /nfs/dbraw/zinc/70/75/95/347707595.db2.gz QBYLLYCAHAEGNZ-LLVKDONJSA-N 2 2 209.293 0.902 20 0 BCADLP CC[C@H](C)[N@@H+](CC(=O)OC)C[C@H]1CC[NH2+]C1 ZINC000592495847 347788175 /nfs/dbraw/zinc/78/81/75/347788175.db2.gz SBJLPYQWLBJOTF-QWRGUYRKSA-N 2 2 228.336 0.869 20 0 BCADLP CC[C@H](C)[N@H+](CC(=O)OC)C[C@H]1CC[NH2+]C1 ZINC000592495847 347788180 /nfs/dbraw/zinc/78/81/80/347788180.db2.gz SBJLPYQWLBJOTF-QWRGUYRKSA-N 2 2 228.336 0.869 20 0 BCADLP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593101460 347858020 /nfs/dbraw/zinc/85/80/20/347858020.db2.gz VGKOXROKNQDRQB-MQIPJXDCSA-N 2 2 244.404 0.924 20 0 BCADLP CC[NH+](CC)CCC[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593101460 347858021 /nfs/dbraw/zinc/85/80/21/347858021.db2.gz VGKOXROKNQDRQB-MQIPJXDCSA-N 2 2 244.404 0.924 20 0 BCADLP C[NH2+][C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000577382464 365940622 /nfs/dbraw/zinc/94/06/22/365940622.db2.gz KFWKVOLDNXSHMK-MNOVXSKESA-N 2 2 236.319 0.655 20 0 BCADLP CSCCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593901302 347967335 /nfs/dbraw/zinc/96/73/35/347967335.db2.gz FLTOJDBBGNDNPF-VIFPVBQESA-N 2 2 233.381 0.135 20 0 BCADLP Cc1cccn2cc(CNC(=O)[C@H](C)C[NH3+])[nH+]c12 ZINC000285720058 179356699 /nfs/dbraw/zinc/35/66/99/179356699.db2.gz FHNUCMWCDXLADI-SNVBAGLBSA-N 2 2 246.314 0.854 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000594920205 348154595 /nfs/dbraw/zinc/15/45/95/348154595.db2.gz SSLRSMFNDBJDRN-IJLUTSLNSA-N 2 2 240.347 0.869 20 0 BCADLP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC[NH+](C)C ZINC000594922177 348155659 /nfs/dbraw/zinc/15/56/59/348155659.db2.gz HZAGAKUMTYZADW-KXUCPTDWSA-N 2 2 214.309 0.335 20 0 BCADLP O=C(/C=C\c1[nH]cc[nH+]1)N1CC[NH+]2CCC1CC2 ZINC000493826310 348229187 /nfs/dbraw/zinc/22/91/87/348229187.db2.gz RCDPMXCHJOPGOR-UPHRSURJSA-N 2 2 246.314 0.730 20 0 BCADLP C[C@H]1CC[N@H+](CC[NH2+]CC2(C)COC2)C1 ZINC000309095736 349985095 /nfs/dbraw/zinc/98/50/95/349985095.db2.gz CSYQVUVZWNVXPV-NSHDSACASA-N 2 2 212.337 0.954 20 0 BCADLP C[C@H]1CC[N@@H+](CC[NH2+]CC2(C)COC2)C1 ZINC000309095736 349985099 /nfs/dbraw/zinc/98/50/99/349985099.db2.gz CSYQVUVZWNVXPV-NSHDSACASA-N 2 2 212.337 0.954 20 0 BCADLP COC(=O)[C@H]1C[C@@H]([N@H+](C)CCn2cc[nH+]c2)C1 ZINC000595850444 348355757 /nfs/dbraw/zinc/35/57/57/348355757.db2.gz RPCLDJBAAPTSPI-PHIMTYICSA-N 2 2 237.303 0.767 20 0 BCADLP COC(=O)[C@H]1C[C@@H]([N@@H+](C)CCn2cc[nH+]c2)C1 ZINC000595850444 348355759 /nfs/dbraw/zinc/35/57/59/348355759.db2.gz RPCLDJBAAPTSPI-PHIMTYICSA-N 2 2 237.303 0.767 20 0 BCADLP COC(=O)C12CC(C1)C[N@@H+]2C[C@@H]1CC[NH2+]C1 ZINC000595901900 348394720 /nfs/dbraw/zinc/39/47/20/348394720.db2.gz CIKTYYMZCNCAPV-GRZMOONWSA-N 2 2 224.304 0.233 20 0 BCADLP COC(=O)C12CC(C1)C[N@H+]2C[C@@H]1CC[NH2+]C1 ZINC000595901900 348394722 /nfs/dbraw/zinc/39/47/22/348394722.db2.gz CIKTYYMZCNCAPV-GRZMOONWSA-N 2 2 224.304 0.233 20 0 BCADLP COC(=O)CC1(C[N@@H+]2CC3CC2(C[NH3+])C3)CC1 ZINC000595903839 348395148 /nfs/dbraw/zinc/39/51/48/348395148.db2.gz ZSHAATUYIIPJCG-UHFFFAOYSA-N 2 2 238.331 0.753 20 0 BCADLP COC(=O)CC1(C[N@H+]2CC3CC2(C[NH3+])C3)CC1 ZINC000595903839 348395152 /nfs/dbraw/zinc/39/51/52/348395152.db2.gz ZSHAATUYIIPJCG-UHFFFAOYSA-N 2 2 238.331 0.753 20 0 BCADLP C[C@@H]([NH3+])CCC(=O)NCCCCn1cc[nH+]c1 ZINC000070317871 349993627 /nfs/dbraw/zinc/99/36/27/349993627.db2.gz PKXUWEAZBMOWSW-LLVKDONJSA-N 2 2 238.335 0.907 20 0 BCADLP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000082759352 348625641 /nfs/dbraw/zinc/62/56/41/348625641.db2.gz RITJZYSOXTZPGD-MNOVXSKESA-N 2 2 228.336 0.869 20 0 BCADLP CCOC(=O)[C@H](CC)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000082759352 348625642 /nfs/dbraw/zinc/62/56/42/348625642.db2.gz RITJZYSOXTZPGD-MNOVXSKESA-N 2 2 228.336 0.869 20 0 BCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C(C)(C)C ZINC000129953527 490190267 /nfs/dbraw/zinc/19/02/67/490190267.db2.gz XYVVKJXKTMPTMB-NSHDSACASA-N 2 2 241.379 0.785 20 0 BCADLP CCOC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598684732 349015792 /nfs/dbraw/zinc/01/57/92/349015792.db2.gz YEFDDBDGAKFQJC-CMPLNLGQSA-N 2 2 226.320 0.753 20 0 BCADLP CCOC(=O)CC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598684732 349015796 /nfs/dbraw/zinc/01/57/96/349015796.db2.gz YEFDDBDGAKFQJC-CMPLNLGQSA-N 2 2 226.320 0.753 20 0 BCADLP COC(=O)CCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598684762 349016156 /nfs/dbraw/zinc/01/61/56/349016156.db2.gz YLORVQBGPOEPOJ-ZYHUDNBSSA-N 2 2 226.320 0.753 20 0 BCADLP COC(=O)CCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598684762 349016158 /nfs/dbraw/zinc/01/61/58/349016158.db2.gz YLORVQBGPOEPOJ-ZYHUDNBSSA-N 2 2 226.320 0.753 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)OC)C1 ZINC000251550401 349188018 /nfs/dbraw/zinc/18/80/18/349188018.db2.gz MVPKXTDAEKYNPT-BDAKNGLRSA-N 2 2 200.282 0.089 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)OC)C1 ZINC000251550401 349188021 /nfs/dbraw/zinc/18/80/21/349188021.db2.gz MVPKXTDAEKYNPT-BDAKNGLRSA-N 2 2 200.282 0.089 20 0 BCADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000251616278 349189195 /nfs/dbraw/zinc/18/91/95/349189195.db2.gz PZBMAKLJVNBBNB-MWLCHTKSSA-N 2 2 225.336 0.134 20 0 BCADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000251616278 349189197 /nfs/dbraw/zinc/18/91/97/349189197.db2.gz PZBMAKLJVNBBNB-MWLCHTKSSA-N 2 2 225.336 0.134 20 0 BCADLP CCCn1ncnc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000250094813 349166221 /nfs/dbraw/zinc/16/62/21/349166221.db2.gz XOPUEHIYVAFZRF-GHMZBOCLSA-N 2 2 237.351 0.857 20 0 BCADLP CCCn1ncnc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000250094813 349166224 /nfs/dbraw/zinc/16/62/24/349166224.db2.gz XOPUEHIYVAFZRF-GHMZBOCLSA-N 2 2 237.351 0.857 20 0 BCADLP CCn1ncnc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250449800 349170999 /nfs/dbraw/zinc/17/09/99/349170999.db2.gz LBCXNUZYDCQWRS-QWRGUYRKSA-N 2 2 237.351 0.857 20 0 BCADLP CCn1ncnc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250449800 349171001 /nfs/dbraw/zinc/17/10/01/349171001.db2.gz LBCXNUZYDCQWRS-QWRGUYRKSA-N 2 2 237.351 0.857 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000386115271 362942262 /nfs/dbraw/zinc/94/22/62/362942262.db2.gz BJDBGNWECZNBAW-SECBINFHSA-N 2 2 222.292 0.320 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000386115271 362942265 /nfs/dbraw/zinc/94/22/65/362942265.db2.gz BJDBGNWECZNBAW-SECBINFHSA-N 2 2 222.292 0.320 20 0 BCADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000212247964 349312703 /nfs/dbraw/zinc/31/27/03/349312703.db2.gz YQNPMXQYRYYIMA-NSHDSACASA-N 2 2 200.326 0.831 20 0 BCADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000212247964 349312705 /nfs/dbraw/zinc/31/27/05/349312705.db2.gz YQNPMXQYRYYIMA-NSHDSACASA-N 2 2 200.326 0.831 20 0 BCADLP CCOCC[N@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000309028695 349313615 /nfs/dbraw/zinc/31/36/15/349313615.db2.gz ZXGAPEOZWATVPA-NSHDSACASA-N 2 2 218.341 0.267 20 0 BCADLP CCOCC[N@@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000309028695 349313618 /nfs/dbraw/zinc/31/36/18/349313618.db2.gz ZXGAPEOZWATVPA-NSHDSACASA-N 2 2 218.341 0.267 20 0 BCADLP CCOCC[NH+](C)C[C@@H](O)C[N@H+](C)CC ZINC000309028695 349313620 /nfs/dbraw/zinc/31/36/20/349313620.db2.gz ZXGAPEOZWATVPA-NSHDSACASA-N 2 2 218.341 0.267 20 0 BCADLP CCOCC[NH+](C)C[C@@H](O)C[N@@H+](C)CC ZINC000309028695 349313621 /nfs/dbraw/zinc/31/36/21/349313621.db2.gz ZXGAPEOZWATVPA-NSHDSACASA-N 2 2 218.341 0.267 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000070619374 350029737 /nfs/dbraw/zinc/02/97/37/350029737.db2.gz GMYXMDYOOGDBFD-NSHDSACASA-N 2 2 222.292 0.178 20 0 BCADLP COC(=O)CC1([NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000602018926 349418694 /nfs/dbraw/zinc/41/86/94/349418694.db2.gz CJJFJSFIVJRHMV-UHFFFAOYSA-N 2 2 224.304 0.424 20 0 BCADLP COC[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309118633 350035886 /nfs/dbraw/zinc/03/58/86/350035886.db2.gz SBLGEVYNVASZBA-MWLCHTKSSA-N 2 2 216.325 0.066 20 0 BCADLP COC[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309118633 350035887 /nfs/dbraw/zinc/03/58/87/350035887.db2.gz SBLGEVYNVASZBA-MWLCHTKSSA-N 2 2 216.325 0.066 20 0 BCADLP C[C@@]1(C(=O)NCc2[nH]cc[nH+]2)CCC[NH2+]1 ZINC000070646750 350038905 /nfs/dbraw/zinc/03/89/05/350038905.db2.gz FNRNKCAPFFKBOE-JTQLQIEISA-N 2 2 208.265 0.168 20 0 BCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CSC1 ZINC000390781852 350087741 /nfs/dbraw/zinc/08/77/41/350087741.db2.gz KQCSEHACMWVFKA-JTQLQIEISA-N 2 2 243.376 0.031 20 0 BCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CSC1 ZINC000390781852 350087742 /nfs/dbraw/zinc/08/77/42/350087742.db2.gz KQCSEHACMWVFKA-JTQLQIEISA-N 2 2 243.376 0.031 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCN1CCSCC1 ZINC000422718030 192440658 /nfs/dbraw/zinc/44/06/58/192440658.db2.gz WQWFFDUFYXWYLE-NEPJUHHUSA-N 2 2 243.420 0.623 20 0 BCADLP C[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@@]1(C)C[NH3+] ZINC000309190783 350160524 /nfs/dbraw/zinc/16/05/24/350160524.db2.gz IVRDDGODNYHOPN-ZYHUDNBSSA-N 2 2 222.336 0.837 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@@]1(C)C[NH3+] ZINC000309190783 350160529 /nfs/dbraw/zinc/16/05/29/350160529.db2.gz IVRDDGODNYHOPN-ZYHUDNBSSA-N 2 2 222.336 0.837 20 0 BCADLP Cc1nc2n(n1)CC[N@H+](CCn1cc[nH+]c1)C2 ZINC000328599572 180112167 /nfs/dbraw/zinc/11/21/67/180112167.db2.gz CERXQEDKRWDXAH-UHFFFAOYSA-N 2 2 232.291 0.299 20 0 BCADLP Cc1nc2n(n1)CC[N@@H+](CCn1cc[nH+]c1)C2 ZINC000328599572 180112169 /nfs/dbraw/zinc/11/21/69/180112169.db2.gz CERXQEDKRWDXAH-UHFFFAOYSA-N 2 2 232.291 0.299 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1CCO[C@H](C)C1 ZINC000532482628 323270652 /nfs/dbraw/zinc/27/06/52/323270652.db2.gz NUPIKXJABFPBNL-UPJWGTAASA-N 2 2 241.379 0.247 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1CCO[C@H](C)C1 ZINC000532482628 323270655 /nfs/dbraw/zinc/27/06/55/323270655.db2.gz NUPIKXJABFPBNL-UPJWGTAASA-N 2 2 241.379 0.247 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H]2CCC[NH2+][C@H]2C)c[nH+]1 ZINC000333245319 180133730 /nfs/dbraw/zinc/13/37/30/180133730.db2.gz FOUHCBSVUHCPTE-CBAPKCEASA-N 2 2 222.292 0.588 20 0 BCADLP Cc1cnc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000427119903 191054307 /nfs/dbraw/zinc/05/43/07/191054307.db2.gz NUNWTWNMHCZLNC-WCQYABFASA-N 2 2 232.331 0.969 20 0 BCADLP Cc1cnc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000427119903 191054310 /nfs/dbraw/zinc/05/43/10/191054310.db2.gz NUNWTWNMHCZLNC-WCQYABFASA-N 2 2 232.331 0.969 20 0 BCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC(F)(F)C[NH3+] ZINC000427167183 191055225 /nfs/dbraw/zinc/05/52/25/191055225.db2.gz MBFDUBCIORFPKI-RKDXNWHRSA-N 2 2 249.305 0.569 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)CCn1cc[nH+]c1 ZINC000359517806 180120523 /nfs/dbraw/zinc/12/05/23/180120523.db2.gz PMGFNDQVETYRMA-UHFFFAOYSA-N 2 2 233.275 0.621 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CC1CC1 ZINC000309219622 350203377 /nfs/dbraw/zinc/20/33/77/350203377.db2.gz GJMRJZHYAYZXHN-GFCCVEGCSA-N 2 2 230.352 0.267 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CC1CC1 ZINC000309219622 350203381 /nfs/dbraw/zinc/20/33/81/350203381.db2.gz GJMRJZHYAYZXHN-GFCCVEGCSA-N 2 2 230.352 0.267 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CC1CC1 ZINC000309219622 350203386 /nfs/dbraw/zinc/20/33/86/350203386.db2.gz GJMRJZHYAYZXHN-GFCCVEGCSA-N 2 2 230.352 0.267 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CC1CC1 ZINC000309219622 350203392 /nfs/dbraw/zinc/20/33/92/350203392.db2.gz GJMRJZHYAYZXHN-GFCCVEGCSA-N 2 2 230.352 0.267 20 0 BCADLP Cc1nc(N[C@@H](C)C[NH+]2CCOCC2)cc[nH+]1 ZINC000054936241 180203336 /nfs/dbraw/zinc/20/33/36/180203336.db2.gz JTCXYDIAWUCQCA-JTQLQIEISA-N 2 2 236.319 0.918 20 0 BCADLP Cc1nccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)n1 ZINC000373603119 180186261 /nfs/dbraw/zinc/18/62/61/180186261.db2.gz IBLUIILRRAFOPE-TXEJJXNPSA-N 2 2 232.331 0.778 20 0 BCADLP Cc1nccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)n1 ZINC000373603119 180186263 /nfs/dbraw/zinc/18/62/63/180186263.db2.gz IBLUIILRRAFOPE-TXEJJXNPSA-N 2 2 232.331 0.778 20 0 BCADLP Cc1nccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)n1 ZINC000373603119 180186265 /nfs/dbraw/zinc/18/62/65/180186265.db2.gz IBLUIILRRAFOPE-TXEJJXNPSA-N 2 2 232.331 0.778 20 0 BCADLP Cc1nccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)n1 ZINC000373603119 180186269 /nfs/dbraw/zinc/18/62/69/180186269.db2.gz IBLUIILRRAFOPE-TXEJJXNPSA-N 2 2 232.331 0.778 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C[NH3+] ZINC000336741229 180234521 /nfs/dbraw/zinc/23/45/21/180234521.db2.gz MZTADAZVKPMMMN-JTQLQIEISA-N 3 2 210.325 0.861 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C[NH3+] ZINC000336741229 180234526 /nfs/dbraw/zinc/23/45/26/180234526.db2.gz MZTADAZVKPMMMN-JTQLQIEISA-N 3 2 210.325 0.861 20 0 BCADLP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261541257 535116909 /nfs/dbraw/zinc/11/69/09/535116909.db2.gz BAQJLNJJFCQMGR-QJPTWQEYSA-N 2 2 239.363 0.585 20 0 BCADLP CCCNC(=O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261541257 535116916 /nfs/dbraw/zinc/11/69/16/535116916.db2.gz BAQJLNJJFCQMGR-QJPTWQEYSA-N 2 2 239.363 0.585 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](CO)C1 ZINC000050104550 180249535 /nfs/dbraw/zinc/24/95/35/180249535.db2.gz ZMUQNZZTWYPDQH-LBPRGKRZSA-N 2 2 223.320 0.896 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](CO)C1 ZINC000050104550 180249537 /nfs/dbraw/zinc/24/95/37/180249537.db2.gz ZMUQNZZTWYPDQH-LBPRGKRZSA-N 2 2 223.320 0.896 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](CO)C1 ZINC000050104551 180250058 /nfs/dbraw/zinc/25/00/58/180250058.db2.gz ZMUQNZZTWYPDQH-GFCCVEGCSA-N 2 2 223.320 0.896 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](CO)C1 ZINC000050104551 180250059 /nfs/dbraw/zinc/25/00/59/180250059.db2.gz ZMUQNZZTWYPDQH-GFCCVEGCSA-N 2 2 223.320 0.896 20 0 BCADLP CCOCC[N@H+](CC)C[C@@H](O)C[NH+](C)CC ZINC000309261360 350243919 /nfs/dbraw/zinc/24/39/19/350243919.db2.gz PFXXPYXDSVWMEI-LBPRGKRZSA-N 2 2 232.368 0.657 20 0 BCADLP CCOCC[N@@H+](CC)C[C@@H](O)C[NH+](C)CC ZINC000309261360 350243923 /nfs/dbraw/zinc/24/39/23/350243923.db2.gz PFXXPYXDSVWMEI-LBPRGKRZSA-N 2 2 232.368 0.657 20 0 BCADLP CCOCC[NH+](CC)C[C@@H](O)C[N@H+](C)CC ZINC000309261360 350243928 /nfs/dbraw/zinc/24/39/28/350243928.db2.gz PFXXPYXDSVWMEI-LBPRGKRZSA-N 2 2 232.368 0.657 20 0 BCADLP CCOCC[NH+](CC)C[C@@H](O)C[N@@H+](C)CC ZINC000309261360 350243931 /nfs/dbraw/zinc/24/39/31/350243931.db2.gz PFXXPYXDSVWMEI-LBPRGKRZSA-N 2 2 232.368 0.657 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000286726466 180251679 /nfs/dbraw/zinc/25/16/79/180251679.db2.gz CSYARZPADVJBTA-LBPRGKRZSA-N 2 2 241.310 0.988 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@](F)(CO)C1 ZINC000286726466 180251682 /nfs/dbraw/zinc/25/16/82/180251682.db2.gz CSYARZPADVJBTA-LBPRGKRZSA-N 2 2 241.310 0.988 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279701580 180253506 /nfs/dbraw/zinc/25/35/06/180253506.db2.gz HBMRXSXMFQIILX-LLVKDONJSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279701580 180253509 /nfs/dbraw/zinc/25/35/09/180253509.db2.gz HBMRXSXMFQIILX-LLVKDONJSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C)[C@@H]1CO ZINC000227196202 180255346 /nfs/dbraw/zinc/25/53/46/180255346.db2.gz MUBKAZHWBQKZDY-JQWIXIFHSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C)[C@@H]1CO ZINC000227196202 180255348 /nfs/dbraw/zinc/25/53/48/180255348.db2.gz MUBKAZHWBQKZDY-JQWIXIFHSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CCN1CC[NH+](C2CC2)CC1 ZINC000336715203 180256279 /nfs/dbraw/zinc/25/62/79/180256279.db2.gz UKGUJMQZUFTATO-UHFFFAOYSA-N 2 2 234.347 0.972 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280776383 180256615 /nfs/dbraw/zinc/25/66/15/180256615.db2.gz PQTDLLAKJDGRAL-GFCCVEGCSA-N 2 2 236.319 0.389 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280776383 180256618 /nfs/dbraw/zinc/25/66/18/180256618.db2.gz PQTDLLAKJDGRAL-GFCCVEGCSA-N 2 2 236.319 0.389 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000333036753 180256808 /nfs/dbraw/zinc/25/68/08/180256808.db2.gz NRGDINNOBRBHFB-CYBMUJFWSA-N 2 2 248.330 0.404 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000333036753 180256810 /nfs/dbraw/zinc/25/68/10/180256810.db2.gz NRGDINNOBRBHFB-CYBMUJFWSA-N 2 2 248.330 0.404 20 0 BCADLP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(N)[nH+]c1 ZINC000309293030 350269380 /nfs/dbraw/zinc/26/93/80/350269380.db2.gz QTANGCXIBWKXAV-SECBINFHSA-N 2 2 208.265 0.586 20 0 BCADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cnc3cnccn23)C1 ZINC000347032390 133803216 /nfs/dbraw/zinc/80/32/16/133803216.db2.gz ABDWKPIPPCIPIH-NSHDSACASA-N 2 2 245.330 0.900 20 0 BCADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000347032390 133803217 /nfs/dbraw/zinc/80/32/17/133803217.db2.gz ABDWKPIPPCIPIH-NSHDSACASA-N 2 2 245.330 0.900 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C(C)C)C1CC1 ZINC000563932052 323325270 /nfs/dbraw/zinc/32/52/70/323325270.db2.gz AGMQXXRAVMSJBK-CYBMUJFWSA-N 2 2 244.379 0.798 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C(C)C)C1CC1 ZINC000563932052 323325274 /nfs/dbraw/zinc/32/52/74/323325274.db2.gz AGMQXXRAVMSJBK-CYBMUJFWSA-N 2 2 244.379 0.798 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C(C)C)C1CC1 ZINC000563932052 323325276 /nfs/dbraw/zinc/32/52/76/323325276.db2.gz AGMQXXRAVMSJBK-CYBMUJFWSA-N 2 2 244.379 0.798 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C(C)C)C1CC1 ZINC000563932052 323325278 /nfs/dbraw/zinc/32/52/78/323325278.db2.gz AGMQXXRAVMSJBK-CYBMUJFWSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@H](C)O)C1 ZINC000309338226 323344017 /nfs/dbraw/zinc/34/40/17/323344017.db2.gz JNOXUPZIMPJWDL-NWDGAFQWSA-N 2 2 230.352 0.314 20 0 BCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@H](C)O)C1 ZINC000309338226 323344020 /nfs/dbraw/zinc/34/40/20/323344020.db2.gz JNOXUPZIMPJWDL-NWDGAFQWSA-N 2 2 230.352 0.314 20 0 BCADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000361231222 180379097 /nfs/dbraw/zinc/37/90/97/180379097.db2.gz SIFAQXQPQBOXCZ-MWLCHTKSSA-N 2 2 240.351 0.302 20 0 BCADLP c1cn(CC[N@@H+]2CCC[C@@H](n3cncn3)C2)c[nH+]1 ZINC000163178362 350504970 /nfs/dbraw/zinc/50/49/70/350504970.db2.gz WMEWLIMCKKAISO-GFCCVEGCSA-N 2 2 246.318 0.812 20 0 BCADLP c1cn(CC[N@H+]2CCC[C@@H](n3cncn3)C2)c[nH+]1 ZINC000163178362 350504972 /nfs/dbraw/zinc/50/49/72/350504972.db2.gz WMEWLIMCKKAISO-GFCCVEGCSA-N 2 2 246.318 0.812 20 0 BCADLP CCOC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000309472695 350564516 /nfs/dbraw/zinc/56/45/16/350564516.db2.gz UPTFDHDWKKEODM-JQWIXIFHSA-N 2 2 226.320 0.610 20 0 BCADLP CCOC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000309472695 350564520 /nfs/dbraw/zinc/56/45/20/350564520.db2.gz UPTFDHDWKKEODM-JQWIXIFHSA-N 2 2 226.320 0.610 20 0 BCADLP C[N@H+](CC(=O)NC1CCCC1)C1CC([NH3+])C1 ZINC000385054827 350757390 /nfs/dbraw/zinc/75/73/90/350757390.db2.gz TWCNJRRLVWYPGL-UHFFFAOYSA-N 2 2 225.336 0.467 20 0 BCADLP C[N@@H+](CC(=O)NC1CCCC1)C1CC([NH3+])C1 ZINC000385054827 350757393 /nfs/dbraw/zinc/75/73/93/350757393.db2.gz TWCNJRRLVWYPGL-UHFFFAOYSA-N 2 2 225.336 0.467 20 0 BCADLP CN1C[C@H]([N@H+](C)CCn2cc[nH+]c2)CCC1=O ZINC000563362181 350824914 /nfs/dbraw/zinc/82/49/14/350824914.db2.gz ATZHJKPQOJXMLM-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP CN1C[C@H]([N@@H+](C)CCn2cc[nH+]c2)CCC1=O ZINC000563362181 350824916 /nfs/dbraw/zinc/82/49/16/350824916.db2.gz ATZHJKPQOJXMLM-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP COc1nccnc1C[NH2+]CCc1c[nH+]cn1C ZINC000623086081 350843673 /nfs/dbraw/zinc/84/36/73/350843673.db2.gz WETWLMKCIMAYEH-UHFFFAOYSA-N 2 2 247.302 0.551 20 0 BCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCNC(=O)C1 ZINC000250454579 350881551 /nfs/dbraw/zinc/88/15/51/350881551.db2.gz ZYOGYOZZVDQBIJ-NWDGAFQWSA-N 2 2 239.363 0.729 20 0 BCADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCNC(=O)C1 ZINC000250454579 350881554 /nfs/dbraw/zinc/88/15/54/350881554.db2.gz ZYOGYOZZVDQBIJ-NWDGAFQWSA-N 2 2 239.363 0.729 20 0 BCADLP COC(=O)[C@H]1CCC[N@H+](CC[NH3+])CC1 ZINC000616628505 351098362 /nfs/dbraw/zinc/09/83/62/351098362.db2.gz MDKAMMVMOQDPHF-VIFPVBQESA-N 2 2 200.282 0.220 20 0 BCADLP COC(=O)[C@H]1CCC[N@@H+](CC[NH3+])CC1 ZINC000616628505 351098365 /nfs/dbraw/zinc/09/83/65/351098365.db2.gz MDKAMMVMOQDPHF-VIFPVBQESA-N 2 2 200.282 0.220 20 0 BCADLP CC[N@H+]1CCN(Cc2[nH+]ccn2C)[C@@H](C)C1 ZINC000264308200 351232827 /nfs/dbraw/zinc/23/28/27/351232827.db2.gz ZEWSQZDDQJBMFR-NSHDSACASA-N 2 2 222.336 0.946 20 0 BCADLP CC[NH+]1CCN(CCNc2cc[nH+]c(C)n2)CC1 ZINC000266391937 351291177 /nfs/dbraw/zinc/29/11/77/351291177.db2.gz OBEAJKKNPJUGLJ-UHFFFAOYSA-N 2 2 249.362 0.834 20 0 BCADLP CC[N@@H+]1CCCN(Cc2c[nH+]cn2C)CC1 ZINC000267636824 351317533 /nfs/dbraw/zinc/31/75/33/351317533.db2.gz SBKXDPDQPBUANT-UHFFFAOYSA-N 2 2 222.336 0.948 20 0 BCADLP CC[N@H+]1CCCN(Cc2c[nH+]cn2C)CC1 ZINC000267636824 351317539 /nfs/dbraw/zinc/31/75/39/351317539.db2.gz SBKXDPDQPBUANT-UHFFFAOYSA-N 2 2 222.336 0.948 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](O)C1 ZINC000414671329 351578339 /nfs/dbraw/zinc/57/83/39/351578339.db2.gz NVNJQYVDDMUDDR-WDEREUQCSA-N 2 2 200.326 0.817 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H](O)C1 ZINC000414671329 351578344 /nfs/dbraw/zinc/57/83/44/351578344.db2.gz NVNJQYVDDMUDDR-WDEREUQCSA-N 2 2 200.326 0.817 20 0 BCADLP C[C@@H](C(=O)NCCNc1cccc[nH+]1)C1C[NH2+]C1 ZINC000577629126 366025706 /nfs/dbraw/zinc/02/57/06/366025706.db2.gz IJHXOPCBQOSEMW-SNVBAGLBSA-N 2 2 248.330 0.465 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000637817504 351661355 /nfs/dbraw/zinc/66/13/55/351661355.db2.gz WGXGJMZVYZKHIP-SNVBAGLBSA-N 2 2 236.319 0.519 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000637817504 351661358 /nfs/dbraw/zinc/66/13/58/351661358.db2.gz WGXGJMZVYZKHIP-SNVBAGLBSA-N 2 2 236.319 0.519 20 0 BCADLP C[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000637802750 351635703 /nfs/dbraw/zinc/63/57/03/351635703.db2.gz UCISKRWSSMZDTM-VIFPVBQESA-N 2 2 222.292 0.081 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637817503 351661719 /nfs/dbraw/zinc/66/17/19/351661719.db2.gz WGXGJMZVYZKHIP-JTQLQIEISA-N 2 2 236.319 0.519 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637817503 351661724 /nfs/dbraw/zinc/66/17/24/351661724.db2.gz WGXGJMZVYZKHIP-JTQLQIEISA-N 2 2 236.319 0.519 20 0 BCADLP C[NH+]1CCN(CC(C)(C)[NH+]2CCOCC2)CC1 ZINC000637811251 351652320 /nfs/dbraw/zinc/65/23/20/351652320.db2.gz NTXVKCMEMMYICU-UHFFFAOYSA-N 2 2 241.379 0.345 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH3+])CCCC1 ZINC000637838826 351688591 /nfs/dbraw/zinc/68/85/91/351688591.db2.gz BIDJKQNOHAUWJR-UHFFFAOYSA-N 2 2 236.319 0.648 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)NC1(C[NH3+])CCCC1 ZINC000637838826 351688594 /nfs/dbraw/zinc/68/85/94/351688594.db2.gz BIDJKQNOHAUWJR-UHFFFAOYSA-N 2 2 236.319 0.648 20 0 BCADLP CCC(CC)(C[NH3+])NC(=O)Cc1[nH]c[nH+]c1C ZINC000637839659 351690779 /nfs/dbraw/zinc/69/07/79/351690779.db2.gz AAJWPWGPUPWCOZ-UHFFFAOYSA-N 2 2 238.335 0.894 20 0 BCADLP CCC(CC)(C[NH3+])NC(=O)Cc1[nH+]c[nH]c1C ZINC000637839659 351690783 /nfs/dbraw/zinc/69/07/83/351690783.db2.gz AAJWPWGPUPWCOZ-UHFFFAOYSA-N 2 2 238.335 0.894 20 0 BCADLP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000637823706 351668777 /nfs/dbraw/zinc/66/87/77/351668777.db2.gz KDZPTTJPEQTQHW-GMTAPVOTSA-N 2 2 248.330 0.724 20 0 BCADLP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000637823706 351668780 /nfs/dbraw/zinc/66/87/80/351668780.db2.gz KDZPTTJPEQTQHW-GMTAPVOTSA-N 2 2 248.330 0.724 20 0 BCADLP CCc1c[nH]c(CC(=O)NCC[NH2+]C2CC2)[nH+]1 ZINC000637827577 351669588 /nfs/dbraw/zinc/66/95/88/351669588.db2.gz IBLDFJSLANNAOW-UHFFFAOYSA-N 2 2 236.319 0.383 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]C(C)C ZINC000637828282 351670047 /nfs/dbraw/zinc/67/00/47/351670047.db2.gz DZEQYRJMCXRVHY-UHFFFAOYSA-N 2 2 238.335 0.765 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)NCCC[NH2+]C(C)C ZINC000637828282 351670051 /nfs/dbraw/zinc/67/00/51/351670051.db2.gz DZEQYRJMCXRVHY-UHFFFAOYSA-N 2 2 238.335 0.765 20 0 BCADLP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000637861238 351722246 /nfs/dbraw/zinc/72/22/46/351722246.db2.gz DDOWXRBJZOTHKN-HBNTYKKESA-N 2 2 248.330 0.724 20 0 BCADLP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000637861238 351722250 /nfs/dbraw/zinc/72/22/50/351722250.db2.gz DDOWXRBJZOTHKN-HBNTYKKESA-N 2 2 248.330 0.724 20 0 BCADLP CCc1c[nH]c(CC(=O)N(C)CCC[NH3+])[nH+]1 ZINC000637854244 351713409 /nfs/dbraw/zinc/71/34/09/351713409.db2.gz FTGMZYNEEBJBHO-UHFFFAOYSA-N 2 2 224.308 0.322 20 0 BCADLP [NH3+][C@@H]1CC=C(C(=O)NCCn2cc[nH+]c2)C1 ZINC000638051173 351930468 /nfs/dbraw/zinc/93/04/68/351930468.db2.gz CQHUMQCRNRECME-SNVBAGLBSA-N 2 2 220.276 0.047 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638072364 351944590 /nfs/dbraw/zinc/94/45/90/351944590.db2.gz FNHQRKAOHXLUSW-MWLCHTKSSA-N 2 2 234.303 0.435 20 0 BCADLP CC1(C)CNC(=O)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000282825951 351945895 /nfs/dbraw/zinc/94/58/95/351945895.db2.gz SBIIPXPHSNZUAO-UHFFFAOYSA-N 2 2 236.319 0.484 20 0 BCADLP CC1(C)CNC(=O)C[N@H+]1CCCn1cc[nH+]c1 ZINC000282825951 351945896 /nfs/dbraw/zinc/94/58/96/351945896.db2.gz SBIIPXPHSNZUAO-UHFFFAOYSA-N 2 2 236.319 0.484 20 0 BCADLP CC[NH2+][C@@H](C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000638077889 351951396 /nfs/dbraw/zinc/95/13/96/351951396.db2.gz XTZXHPRWTBHUPF-QWRGUYRKSA-N 2 2 238.335 0.633 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638100353 351980534 /nfs/dbraw/zinc/98/05/34/351980534.db2.gz YOMLRAYAEGITRX-ZDUSSCGKSA-N 2 2 249.314 0.506 20 0 BCADLP CC[N@@H+]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000283882178 351985371 /nfs/dbraw/zinc/98/53/71/351985371.db2.gz IKJTVRPDGZSDFK-SNAWJCMRSA-N 2 2 248.330 0.977 20 0 BCADLP CC[N@H+]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000283882178 351985373 /nfs/dbraw/zinc/98/53/73/351985373.db2.gz IKJTVRPDGZSDFK-SNAWJCMRSA-N 2 2 248.330 0.977 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638176481 352041990 /nfs/dbraw/zinc/04/19/90/352041990.db2.gz CMXMZYPVJZYGHJ-DBIOUOCHSA-N 2 2 248.330 0.627 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638176481 352041993 /nfs/dbraw/zinc/04/19/93/352041993.db2.gz CMXMZYPVJZYGHJ-DBIOUOCHSA-N 2 2 248.330 0.627 20 0 BCADLP [NH3+][C@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000638200081 352060438 /nfs/dbraw/zinc/06/04/38/352060438.db2.gz NRAIWKQGXIPTNU-UKKRHICBSA-N 2 2 248.330 0.899 20 0 BCADLP [NH3+][C@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000638200081 352060441 /nfs/dbraw/zinc/06/04/41/352060441.db2.gz NRAIWKQGXIPTNU-UKKRHICBSA-N 2 2 248.330 0.899 20 0 BCADLP C[C@H]1[NH2+]CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H]1C ZINC000638203763 352064916 /nfs/dbraw/zinc/06/49/16/352064916.db2.gz HNPHWOKIBMOOJJ-GWOFURMSSA-N 2 2 248.330 0.722 20 0 BCADLP C[C@H]1[NH2+]CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H]1C ZINC000638203763 352064918 /nfs/dbraw/zinc/06/49/18/352064918.db2.gz HNPHWOKIBMOOJJ-GWOFURMSSA-N 2 2 248.330 0.722 20 0 BCADLP CC(C)C[C@@H](C(=O)NC[C@@H](C)[NH3+])n1cc[nH+]c1 ZINC000638211911 352073914 /nfs/dbraw/zinc/07/39/14/352073914.db2.gz VCPRBNDQZTUGOT-MNOVXSKESA-N 2 2 238.335 0.934 20 0 BCADLP CCOC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405225909 352129106 /nfs/dbraw/zinc/12/91/06/352129106.db2.gz SQDMKHKPXNPWRT-GMTAPVOTSA-N 2 2 244.335 0.234 20 0 BCADLP CCOC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405225909 352129112 /nfs/dbraw/zinc/12/91/12/352129112.db2.gz SQDMKHKPXNPWRT-GMTAPVOTSA-N 2 2 244.335 0.234 20 0 BCADLP CO[C@H](C[NH2+]CCn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000638297748 352130071 /nfs/dbraw/zinc/13/00/71/352130071.db2.gz KAIBJVGALRHBGB-VXGBXAGGSA-N 2 2 239.319 0.524 20 0 BCADLP CC[NH2+][C@H](C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000638299468 352131337 /nfs/dbraw/zinc/13/13/37/352131337.db2.gz CWLVIVFGKZLNOY-LLVKDONJSA-N 2 2 238.335 0.730 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000638232289 352086903 /nfs/dbraw/zinc/08/69/03/352086903.db2.gz CEKBKHSOMUCQKW-IUCAKERBSA-N 2 2 222.292 0.209 20 0 BCADLP CC[N@@H+]1CCN(Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000286386385 352087357 /nfs/dbraw/zinc/08/73/57/352087357.db2.gz GUPVTXJHGLTQMH-NSHDSACASA-N 2 2 222.336 0.946 20 0 BCADLP CC[N@H+]1CCN(Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000286386385 352087360 /nfs/dbraw/zinc/08/73/60/352087360.db2.gz GUPVTXJHGLTQMH-NSHDSACASA-N 2 2 222.336 0.946 20 0 BCADLP CCc1c[nH]c(CC(=O)N[C@@H](C)CCC[NH3+])[nH+]1 ZINC000638252321 352095992 /nfs/dbraw/zinc/09/59/92/352095992.db2.gz RTNBIGKGUYICEW-VIFPVBQESA-N 2 2 238.335 0.758 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000638269792 352107183 /nfs/dbraw/zinc/10/71/83/352107183.db2.gz AJDWEEFDXMYETL-UHFFFAOYSA-N 2 2 236.319 0.471 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638270012 352107387 /nfs/dbraw/zinc/10/73/87/352107387.db2.gz DFBSFOWDNQMRIF-KKZNHRDASA-N 2 2 248.330 0.770 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638270012 352107391 /nfs/dbraw/zinc/10/73/91/352107391.db2.gz DFBSFOWDNQMRIF-KKZNHRDASA-N 2 2 248.330 0.770 20 0 BCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@]1(OC)CCOC1 ZINC000638281666 352116556 /nfs/dbraw/zinc/11/65/56/352116556.db2.gz VIBSLEHUGDVHQT-CHWSQXEVSA-N 2 2 242.363 0.866 20 0 BCADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@]1(OC)CCOC1 ZINC000638281666 352116557 /nfs/dbraw/zinc/11/65/57/352116557.db2.gz VIBSLEHUGDVHQT-CHWSQXEVSA-N 2 2 242.363 0.866 20 0 BCADLP CC[N@@H+]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000288512846 352153813 /nfs/dbraw/zinc/15/38/13/352153813.db2.gz QWPGNVSFBTYVHE-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP CC[N@H+]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000288512846 352153815 /nfs/dbraw/zinc/15/38/15/352153815.db2.gz QWPGNVSFBTYVHE-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NCC12CC(C1)C[NH2+]2 ZINC000638426825 352234983 /nfs/dbraw/zinc/23/49/83/352234983.db2.gz HNDIMDHICJJAAP-UHFFFAOYSA-N 2 2 234.303 0.129 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)NCC12CC(C1)C[NH2+]2 ZINC000638426825 352234987 /nfs/dbraw/zinc/23/49/87/352234987.db2.gz HNDIMDHICJJAAP-UHFFFAOYSA-N 2 2 234.303 0.129 20 0 BCADLP CC[NH2+][C@H](C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000638428973 352236942 /nfs/dbraw/zinc/23/69/42/352236942.db2.gz FWXJDSRQRGHDDU-RKDXNWHRSA-N 2 2 224.308 0.595 20 0 BCADLP C[C@H]([NH3+])CC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000638428949 352237001 /nfs/dbraw/zinc/23/70/01/352237001.db2.gz FFQLEGYAEXUOGP-YUMQZZPRSA-N 2 2 210.281 0.335 20 0 BCADLP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638433561 352242484 /nfs/dbraw/zinc/24/24/84/352242484.db2.gz WXXLPJRFUNQKFX-IWSPIJDZSA-N 2 2 222.292 0.237 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1CCC[N@H+](C)C1)[C@@H]1CCOC1 ZINC000638407571 352213100 /nfs/dbraw/zinc/21/31/00/352213100.db2.gz BMSVWCQGWJTKFJ-JHJVBQTASA-N 2 2 242.363 0.722 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCOC1 ZINC000638407571 352213101 /nfs/dbraw/zinc/21/31/01/352213101.db2.gz BMSVWCQGWJTKFJ-JHJVBQTASA-N 2 2 242.363 0.722 20 0 BCADLP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638433561 352242488 /nfs/dbraw/zinc/24/24/88/352242488.db2.gz WXXLPJRFUNQKFX-IWSPIJDZSA-N 2 2 222.292 0.237 20 0 BCADLP OC1CCC([NH2+]CC[NH+]2CCCC2)CC1 ZINC000219169247 363133272 /nfs/dbraw/zinc/13/32/72/363133272.db2.gz XOKFWEMYHKBQNG-UHFFFAOYSA-N 2 2 212.337 0.975 20 0 BCADLP C[C@@H](C[NH2+]Cc1ncnn1C)Cn1cc[nH+]c1 ZINC000638438263 352245459 /nfs/dbraw/zinc/24/54/59/352245459.db2.gz UCRKHKBCLYDMEV-JTQLQIEISA-N 2 2 234.307 0.438 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000638442076 352248969 /nfs/dbraw/zinc/24/89/69/352248969.db2.gz OBGJLQPEMPSVEC-GXFFZTMASA-N 2 2 248.330 0.600 20 0 BCADLP C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[NH2+]C1 ZINC000638439386 352249226 /nfs/dbraw/zinc/24/92/26/352249226.db2.gz HPWSYRVUXJETDJ-KBVBSXBZSA-N 2 2 234.303 0.381 20 0 BCADLP C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[NH2+]C1 ZINC000638439386 352249228 /nfs/dbraw/zinc/24/92/28/352249228.db2.gz HPWSYRVUXJETDJ-KBVBSXBZSA-N 2 2 234.303 0.381 20 0 BCADLP C[C@H](O)C[N@H+](CC[NH3+])Cc1ccccc1 ZINC000083676516 352334972 /nfs/dbraw/zinc/33/49/72/352334972.db2.gz SALCYRFQRKDLSJ-NSHDSACASA-N 2 2 208.305 0.828 20 0 BCADLP C[C@H](O)C[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000083676516 352334975 /nfs/dbraw/zinc/33/49/75/352334975.db2.gz SALCYRFQRKDLSJ-NSHDSACASA-N 2 2 208.305 0.828 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N(C1CC1)C1CC1 ZINC000638574125 352403775 /nfs/dbraw/zinc/40/37/75/352403775.db2.gz PSLUMWLBNNMTOO-LLVKDONJSA-N 2 2 225.336 0.419 20 0 BCADLP Cn1c[nH+]cc1CCNC(=O)C1([NH+](C)C)CC1 ZINC000613412517 363188425 /nfs/dbraw/zinc/18/84/25/363188425.db2.gz FJGZIAAPGMMQOT-UHFFFAOYSA-N 2 2 236.319 0.173 20 0 BCADLP CC[NH+]1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000297300361 352474075 /nfs/dbraw/zinc/47/40/75/352474075.db2.gz DVJRNLVKSQXHLR-UHFFFAOYSA-N 2 2 236.319 0.356 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638641692 352484703 /nfs/dbraw/zinc/48/47/03/352484703.db2.gz TYSIWRQOXKVSFK-PSASIEDQSA-N 2 2 236.319 0.517 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638641692 352484705 /nfs/dbraw/zinc/48/47/05/352484705.db2.gz TYSIWRQOXKVSFK-PSASIEDQSA-N 2 2 236.319 0.517 20 0 BCADLP C[N@H+](CC(=O)NC1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747147 352603871 /nfs/dbraw/zinc/60/38/71/352603871.db2.gz XMYWHSOIPRFWEQ-FOSCPWQOSA-N 2 2 237.347 0.480 20 0 BCADLP C[N@@H+](CC(=O)NC1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747147 352603873 /nfs/dbraw/zinc/60/38/73/352603873.db2.gz XMYWHSOIPRFWEQ-FOSCPWQOSA-N 2 2 237.347 0.480 20 0 BCADLP C[N@@H+](CC(=O)NC1CC1)C[C@@H]1CCC[NH2+]C1 ZINC000043493657 352637334 /nfs/dbraw/zinc/63/73/34/352637334.db2.gz DWHOGDKTBLIVMB-SNVBAGLBSA-N 2 2 225.336 0.196 20 0 BCADLP C[N@H+](CC(=O)NC1CC1)C[C@@H]1CCC[NH2+]C1 ZINC000043493657 352637337 /nfs/dbraw/zinc/63/73/37/352637337.db2.gz DWHOGDKTBLIVMB-SNVBAGLBSA-N 2 2 225.336 0.196 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCCC12CC2 ZINC000638834133 353008202 /nfs/dbraw/zinc/00/82/02/353008202.db2.gz LZSNTZLILDHWDL-WDEREUQCSA-N 2 2 239.363 0.714 20 0 BCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917702 353081756 /nfs/dbraw/zinc/08/17/56/353081756.db2.gz HHQGMJRMIFIMIH-AXTSPUMRSA-N 2 2 232.287 0.086 20 0 BCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917702 353081757 /nfs/dbraw/zinc/08/17/57/353081757.db2.gz HHQGMJRMIFIMIH-AXTSPUMRSA-N 2 2 232.287 0.086 20 0 BCADLP CCc1c[nH]c(CC(=O)N2C[C@H]([NH3+])C[C@@H]2C)[nH+]1 ZINC000638929626 353090501 /nfs/dbraw/zinc/09/05/01/353090501.db2.gz GZEOOOFGRCVTFE-DTWKUNHWSA-N 2 2 236.319 0.463 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000638930143 353091093 /nfs/dbraw/zinc/09/10/93/353091093.db2.gz IULCNQIXSXMDSQ-MXWKQRLJSA-N 2 2 248.330 0.394 20 0 BCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[NH+]2CCC1CC2 ZINC000329318406 538108888 /nfs/dbraw/zinc/10/88/88/538108888.db2.gz IFASFGARYPBWAR-UHFFFAOYSA-N 2 2 248.330 0.649 20 0 BCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[NH+]2CCC1CC2 ZINC000329318406 538108889 /nfs/dbraw/zinc/10/88/89/538108889.db2.gz IFASFGARYPBWAR-UHFFFAOYSA-N 2 2 248.330 0.649 20 0 BCADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ncc[nH]1 ZINC000285599809 538110450 /nfs/dbraw/zinc/11/04/50/538110450.db2.gz JQOGUENVPBLVJX-SECBINFHSA-N 2 2 205.265 0.957 20 0 BCADLP C[C@H](CC1CCC1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000638996292 353232216 /nfs/dbraw/zinc/23/22/16/353232216.db2.gz KTLRXVMIYIGZPA-ZYHUDNBSSA-N 2 2 241.379 0.960 20 0 BCADLP Cc1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)o1 ZINC000638990026 353223579 /nfs/dbraw/zinc/22/35/79/353223579.db2.gz HJQWUQPVQWFXJT-LLVKDONJSA-N 2 2 239.319 0.483 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000639013565 353271049 /nfs/dbraw/zinc/27/10/49/353271049.db2.gz PIHKHPATHLBVNZ-JOYOIKCWSA-N 2 2 234.303 0.368 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)CC1(C[NH3+])CC1 ZINC000639017364 353271553 /nfs/dbraw/zinc/27/15/53/353271553.db2.gz UDCMQVWRKBOWPM-UHFFFAOYSA-N 2 2 222.292 0.497 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250578772 353272612 /nfs/dbraw/zinc/27/26/12/353272612.db2.gz UDBANDUMAFADLO-RYUDHWBXSA-N 2 2 241.379 0.818 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250578772 353272614 /nfs/dbraw/zinc/27/26/14/353272614.db2.gz UDBANDUMAFADLO-RYUDHWBXSA-N 2 2 241.379 0.818 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000639017088 353274117 /nfs/dbraw/zinc/27/41/17/353274117.db2.gz RJAYDGFBZQQANV-MFKMUULPSA-N 2 2 248.330 0.758 20 0 BCADLP CC(=O)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000019513096 188232161 /nfs/dbraw/zinc/23/21/61/188232161.db2.gz UYWXONXXPZYDJA-GFCCVEGCSA-N 2 2 225.336 0.150 20 0 BCADLP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000036999431 188285780 /nfs/dbraw/zinc/28/57/80/188285780.db2.gz VVSQTLKZFHGHSI-QWRGUYRKSA-N 2 2 238.335 0.761 20 0 BCADLP CC(C)C[C@H]([NH3+])C(=O)NCc1[nH]cc[nH+]1 ZINC000070646651 188287033 /nfs/dbraw/zinc/28/70/33/188287033.db2.gz CHQXBINMFKZZJP-QMMMGPOBSA-N 2 2 210.281 0.399 20 0 BCADLP CC(C)COC[C@@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000042541244 188293939 /nfs/dbraw/zinc/29/39/39/188293939.db2.gz ZFROQFRDTPUSHE-LBPRGKRZSA-N 2 2 241.335 0.506 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C2(C(N)=O)CC2)CC[N@@H+]1C ZINC000639043108 353326763 /nfs/dbraw/zinc/32/67/63/353326763.db2.gz PGVCBVYLMLCDBS-BDAKNGLRSA-N 2 2 211.309 0.077 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C2(C(N)=O)CC2)CC[N@H+]1C ZINC000639043108 353326766 /nfs/dbraw/zinc/32/67/66/353326766.db2.gz PGVCBVYLMLCDBS-BDAKNGLRSA-N 2 2 211.309 0.077 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]CCC[C@H]1CCO1 ZINC000639055208 353358075 /nfs/dbraw/zinc/35/80/75/353358075.db2.gz VDKMEQUTOADZCC-LBPRGKRZSA-N 2 2 230.352 0.459 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]CCC[C@H]1CCO1 ZINC000639055208 353358077 /nfs/dbraw/zinc/35/80/77/353358077.db2.gz VDKMEQUTOADZCC-LBPRGKRZSA-N 2 2 230.352 0.459 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]CCC[C@@H]1CCO1 ZINC000639055207 353358284 /nfs/dbraw/zinc/35/82/84/353358284.db2.gz VDKMEQUTOADZCC-GFCCVEGCSA-N 2 2 230.352 0.459 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]CCC[C@@H]1CCO1 ZINC000639055207 353358287 /nfs/dbraw/zinc/35/82/87/353358287.db2.gz VDKMEQUTOADZCC-GFCCVEGCSA-N 2 2 230.352 0.459 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H]1CS[C@@H](C)C1 ZINC000639054417 353359319 /nfs/dbraw/zinc/35/93/19/353359319.db2.gz QTLKEWTWXUFFOF-WDEREUQCSA-N 2 2 232.393 0.784 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CS[C@@H](C)C1 ZINC000639054417 353359323 /nfs/dbraw/zinc/35/93/23/353359323.db2.gz QTLKEWTWXUFFOF-WDEREUQCSA-N 2 2 232.393 0.784 20 0 BCADLP CC(C)N1CC[C@@H]([NH2+]Cc2c[nH+]cn2C)C1=O ZINC000114774561 188327240 /nfs/dbraw/zinc/32/72/40/188327240.db2.gz BHRBNMYQLVEAIX-LLVKDONJSA-N 2 2 236.319 0.519 20 0 BCADLP O[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(F)(F)F ZINC000085283232 538116176 /nfs/dbraw/zinc/11/61/76/538116176.db2.gz FNCHSUVQDCCZDX-RNJXMRFFSA-N 2 2 224.226 0.061 20 0 BCADLP O[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(F)(F)F ZINC000085283232 538116177 /nfs/dbraw/zinc/11/61/77/538116177.db2.gz FNCHSUVQDCCZDX-RNJXMRFFSA-N 2 2 224.226 0.061 20 0 BCADLP c1cn(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c[nH+]1 ZINC000085283199 538116412 /nfs/dbraw/zinc/11/64/12/538116412.db2.gz PHXKUNMSBKKKAA-QWRGUYRKSA-N 3 2 206.293 0.034 20 0 BCADLP CC(=O)NCCC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336762456 188349090 /nfs/dbraw/zinc/34/90/90/188349090.db2.gz ODZTWIUHIUVITH-MWLCHTKSSA-N 2 2 213.325 0.052 20 0 BCADLP CC(=O)NCCC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336762456 188349091 /nfs/dbraw/zinc/34/90/91/188349091.db2.gz ODZTWIUHIUVITH-MWLCHTKSSA-N 2 2 213.325 0.052 20 0 BCADLP CC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(F)F ZINC000639078226 353404087 /nfs/dbraw/zinc/40/40/87/353404087.db2.gz YAIODXSEAATKKY-HTQZYQBOSA-N 2 2 237.294 0.425 20 0 BCADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)NC ZINC000336775311 353441275 /nfs/dbraw/zinc/44/12/75/353441275.db2.gz YRHWOVKDGMBMEW-QWRGUYRKSA-N 2 2 227.352 0.585 20 0 BCADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)NC ZINC000336775311 353441276 /nfs/dbraw/zinc/44/12/76/353441276.db2.gz YRHWOVKDGMBMEW-QWRGUYRKSA-N 2 2 227.352 0.585 20 0 BCADLP CCOCCC[N@@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000165661639 353429785 /nfs/dbraw/zinc/42/97/85/353429785.db2.gz YSNHJFIZBUFDTF-NEPJUHHUSA-N 2 2 230.352 0.851 20 0 BCADLP CCOCCC[N@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000165661639 353429787 /nfs/dbraw/zinc/42/97/87/353429787.db2.gz YSNHJFIZBUFDTF-NEPJUHHUSA-N 2 2 230.352 0.851 20 0 BCADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1[nH+]ccn1C ZINC000037823000 358479195 /nfs/dbraw/zinc/47/91/95/358479195.db2.gz UWYPCUNNBAHPFS-MWLCHTKSSA-N 2 2 238.335 0.752 20 0 BCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)Cc1[nH+]ccn1C ZINC000037822998 358479201 /nfs/dbraw/zinc/47/92/01/358479201.db2.gz UWYPCUNNBAHPFS-KOLCDFICSA-N 2 2 238.335 0.752 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515610 353766021 /nfs/dbraw/zinc/76/60/21/353766021.db2.gz XLCALYBHJHNVCN-GHMZBOCLSA-N 2 2 248.330 0.689 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515610 353766023 /nfs/dbraw/zinc/76/60/23/353766023.db2.gz XLCALYBHJHNVCN-GHMZBOCLSA-N 2 2 248.330 0.689 20 0 BCADLP CCCn1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000220221489 353827492 /nfs/dbraw/zinc/82/74/92/353827492.db2.gz UWFYEYRFBCREOY-BETUJISGSA-N 2 2 234.347 0.944 20 0 BCADLP CCCn1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000220221489 353827496 /nfs/dbraw/zinc/82/74/96/353827496.db2.gz UWFYEYRFBCREOY-BETUJISGSA-N 2 2 234.347 0.944 20 0 BCADLP C[NH2+]CCC1CC[NH+](Cc2nnnn2C)CC1 ZINC000563888074 353795855 /nfs/dbraw/zinc/79/58/55/353795855.db2.gz MHMLKYLBEYQPGT-UHFFFAOYSA-N 2 2 238.339 0.032 20 0 BCADLP CC[N@H+](CC(=O)N(C)Cc1[nH]cc[nH+]1)C1CC1 ZINC000343544362 353917815 /nfs/dbraw/zinc/91/78/15/353917815.db2.gz SHCSYQTWGWFONP-UHFFFAOYSA-N 2 2 236.319 0.852 20 0 BCADLP CC[N@@H+](CC(=O)N(C)Cc1[nH]cc[nH+]1)C1CC1 ZINC000343544362 353917818 /nfs/dbraw/zinc/91/78/18/353917818.db2.gz SHCSYQTWGWFONP-UHFFFAOYSA-N 2 2 236.319 0.852 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccoc1 ZINC000577946923 366125548 /nfs/dbraw/zinc/12/55/48/366125548.db2.gz IPVXNSHMXCVSEM-JQWIXIFHSA-N 2 2 223.320 0.834 20 0 BCADLP CC[N@H+](CC(=O)N1CC[NH+](C)C[C@@H]1C)C1CC1 ZINC000343569648 353936808 /nfs/dbraw/zinc/93/68/08/353936808.db2.gz QZEDFRSJAKAJKN-NSHDSACASA-N 2 2 239.363 0.633 20 0 BCADLP CC[N@@H+](CC(=O)N1CC[NH+](C)C[C@@H]1C)C1CC1 ZINC000343569648 353936809 /nfs/dbraw/zinc/93/68/09/353936809.db2.gz QZEDFRSJAKAJKN-NSHDSACASA-N 2 2 239.363 0.633 20 0 BCADLP CC[NH+](CC(=O)N1CC[N@H+](C)C[C@@H]1C)C1CC1 ZINC000343569648 353936813 /nfs/dbraw/zinc/93/68/13/353936813.db2.gz QZEDFRSJAKAJKN-NSHDSACASA-N 2 2 239.363 0.633 20 0 BCADLP CC[NH+](CC(=O)N1CC[N@@H+](C)C[C@@H]1C)C1CC1 ZINC000343569648 353936816 /nfs/dbraw/zinc/93/68/16/353936816.db2.gz QZEDFRSJAKAJKN-NSHDSACASA-N 2 2 239.363 0.633 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000343583065 353939742 /nfs/dbraw/zinc/93/97/42/353939742.db2.gz RRJLEDWTEOOXDW-PWSUYJOCSA-N 2 2 239.363 0.524 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000343583065 353939743 /nfs/dbraw/zinc/93/97/43/353939743.db2.gz RRJLEDWTEOOXDW-PWSUYJOCSA-N 2 2 239.363 0.524 20 0 BCADLP C[C@H](C(N)=O)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000343583065 353939745 /nfs/dbraw/zinc/93/97/45/353939745.db2.gz RRJLEDWTEOOXDW-PWSUYJOCSA-N 2 2 239.363 0.524 20 0 BCADLP C[C@H](C(N)=O)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000343583065 353939747 /nfs/dbraw/zinc/93/97/47/353939747.db2.gz RRJLEDWTEOOXDW-PWSUYJOCSA-N 2 2 239.363 0.524 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCSC[C@H]1CO ZINC000343719498 353957718 /nfs/dbraw/zinc/95/77/18/353957718.db2.gz DPQYSBUFHVUDOK-LLVKDONJSA-N 2 2 241.360 0.601 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCSC[C@H]1CO ZINC000343719498 353957721 /nfs/dbraw/zinc/95/77/21/353957721.db2.gz DPQYSBUFHVUDOK-LLVKDONJSA-N 2 2 241.360 0.601 20 0 BCADLP Cc1cncc([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)c1 ZINC000343842809 354019907 /nfs/dbraw/zinc/01/99/07/354019907.db2.gz VLQROPQFQFKNOR-YPMHNXCESA-N 2 2 237.347 0.963 20 0 BCADLP [NH3+]C1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000623177335 354071007 /nfs/dbraw/zinc/07/10/07/354071007.db2.gz RYPUMXNZESOMBP-SNVBAGLBSA-N 2 2 248.330 0.443 20 0 BCADLP CC(C)(C)[NH2+]CC[NH2+]CCn1cc[nH+]c1 ZINC000230973035 363332138 /nfs/dbraw/zinc/33/21/38/363332138.db2.gz PTPQIGWRNDGMHE-UHFFFAOYSA-N 3 2 210.325 0.861 20 0 BCADLP O=C(CCc1[nH]cc[nH+]1)NCCCn1cc[nH+]c1 ZINC000344216933 354196955 /nfs/dbraw/zinc/19/69/55/354196955.db2.gz USIJWAMCDDZECG-UHFFFAOYSA-N 2 2 247.302 0.745 20 0 BCADLP C[C@H]1C[C@H](C[N@@H+]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000334587639 354213504 /nfs/dbraw/zinc/21/35/04/354213504.db2.gz YBOOIXLJDBRRSY-NWDGAFQWSA-N 3 2 211.353 0.670 20 0 BCADLP C[C@H]1C[C@H](C[N@H+]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000334587639 354213506 /nfs/dbraw/zinc/21/35/06/354213506.db2.gz YBOOIXLJDBRRSY-NWDGAFQWSA-N 3 2 211.353 0.670 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CCC(=O)N(C)C2)[C@@H](C)C1 ZINC000344459776 354265042 /nfs/dbraw/zinc/26/50/42/354265042.db2.gz MXSFZXPAMICPMG-SRVKXCTJSA-N 2 2 239.363 0.537 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCC(=O)N(C)C2)[C@@H](C)C1 ZINC000344459776 354265044 /nfs/dbraw/zinc/26/50/44/354265044.db2.gz MXSFZXPAMICPMG-SRVKXCTJSA-N 2 2 239.363 0.537 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC(=O)N(C)C2)C1 ZINC000344459774 354265053 /nfs/dbraw/zinc/26/50/53/354265053.db2.gz MXSFZXPAMICPMG-QJPTWQEYSA-N 2 2 239.363 0.537 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC(=O)N(C)C2)C1 ZINC000344459774 354265056 /nfs/dbraw/zinc/26/50/56/354265056.db2.gz MXSFZXPAMICPMG-QJPTWQEYSA-N 2 2 239.363 0.537 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cnnn2C)[C@H](C)C1 ZINC000344542810 354312433 /nfs/dbraw/zinc/31/24/33/354312433.db2.gz FBQIHZZEXDXSBH-PWSUYJOCSA-N 2 2 237.351 0.635 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cnnn2C)[C@H](C)C1 ZINC000344542810 354312434 /nfs/dbraw/zinc/31/24/34/354312434.db2.gz FBQIHZZEXDXSBH-PWSUYJOCSA-N 2 2 237.351 0.635 20 0 BCADLP Cn1cc[nH+]c1CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000334616527 354303791 /nfs/dbraw/zinc/30/37/91/354303791.db2.gz QUQOEUAOTBOBRT-NXEZZACHSA-N 2 2 208.309 0.780 20 0 BCADLP Cn1ccnc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000334616527 354303794 /nfs/dbraw/zinc/30/37/94/354303794.db2.gz QUQOEUAOTBOBRT-NXEZZACHSA-N 2 2 208.309 0.780 20 0 BCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCC[NH2+]CC1 ZINC000334660932 354460014 /nfs/dbraw/zinc/46/00/14/354460014.db2.gz YAKZBOIJMPHCCY-LLVKDONJSA-N 2 2 227.352 0.537 20 0 BCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCC[NH2+]CC1 ZINC000334660932 354460017 /nfs/dbraw/zinc/46/00/17/354460017.db2.gz YAKZBOIJMPHCCY-LLVKDONJSA-N 2 2 227.352 0.537 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000334812170 354569046 /nfs/dbraw/zinc/56/90/46/354569046.db2.gz KFADBFZWVGCJNT-PWSUYJOCSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000334812170 354569048 /nfs/dbraw/zinc/56/90/48/354569048.db2.gz KFADBFZWVGCJNT-PWSUYJOCSA-N 2 2 223.320 0.894 20 0 BCADLP CC1C[NH+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000335107149 354691963 /nfs/dbraw/zinc/69/19/63/354691963.db2.gz BYLNQQVRUYJVLR-UHFFFAOYSA-N 2 2 208.309 0.938 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000346325275 354897587 /nfs/dbraw/zinc/89/75/87/354897587.db2.gz XMNCNAGRDLUHRX-WOPDTQHZSA-N 2 2 241.379 0.926 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000346325275 354897590 /nfs/dbraw/zinc/89/75/90/354897590.db2.gz XMNCNAGRDLUHRX-WOPDTQHZSA-N 2 2 241.379 0.926 20 0 BCADLP CCn1ncc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000530213505 324529308 /nfs/dbraw/zinc/52/93/08/324529308.db2.gz WGLIERNLQPXFJR-UWVGGRQHSA-N 2 2 223.324 0.658 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H](C)C1CCOCC1 ZINC000346539910 354981392 /nfs/dbraw/zinc/98/13/92/354981392.db2.gz LKMQHECXGJZEJJ-GFCCVEGCSA-N 2 2 244.379 0.705 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)C1CCOCC1 ZINC000346539910 354981395 /nfs/dbraw/zinc/98/13/95/354981395.db2.gz LKMQHECXGJZEJJ-GFCCVEGCSA-N 2 2 244.379 0.705 20 0 BCADLP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000335184090 355082709 /nfs/dbraw/zinc/08/27/09/355082709.db2.gz OGJWZMJNSLKFKW-GFCCVEGCSA-N 2 2 237.347 0.387 20 0 BCADLP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000335184090 355082712 /nfs/dbraw/zinc/08/27/12/355082712.db2.gz OGJWZMJNSLKFKW-GFCCVEGCSA-N 2 2 237.347 0.387 20 0 BCADLP C[C@@H]1CN(CCn2cc[nH+]c2)[C@@H](C)C[N@@H+]1C ZINC000335975394 134030865 /nfs/dbraw/zinc/03/08/65/134030865.db2.gz XILOPNYZIYBOSK-NEPJUHHUSA-N 2 2 222.336 0.908 20 0 BCADLP C[C@@H]1CN(CCn2cc[nH+]c2)[C@@H](C)C[N@H+]1C ZINC000335975394 134030866 /nfs/dbraw/zinc/03/08/66/134030866.db2.gz XILOPNYZIYBOSK-NEPJUHHUSA-N 2 2 222.336 0.908 20 0 BCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000346824113 355126187 /nfs/dbraw/zinc/12/61/87/355126187.db2.gz LAMCHBBWIVVGHG-SNVBAGLBSA-N 2 2 228.336 0.999 20 0 BCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000346824113 355126192 /nfs/dbraw/zinc/12/61/92/355126192.db2.gz LAMCHBBWIVVGHG-SNVBAGLBSA-N 2 2 228.336 0.999 20 0 BCADLP CCCNC(=O)C[N@H+](CCC)CC(C)(C)[NH3+] ZINC000346814725 355122753 /nfs/dbraw/zinc/12/27/53/355122753.db2.gz CIITVFQDWUUBIA-UHFFFAOYSA-N 2 2 229.368 0.962 20 0 BCADLP CCCNC(=O)C[N@@H+](CCC)CC(C)(C)[NH3+] ZINC000346814725 355122755 /nfs/dbraw/zinc/12/27/55/355122755.db2.gz CIITVFQDWUUBIA-UHFFFAOYSA-N 2 2 229.368 0.962 20 0 BCADLP Cc1[nH]ncc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346832641 355129636 /nfs/dbraw/zinc/12/96/36/355129636.db2.gz RHZFAQMLXIOKQL-MVWJERBFSA-N 2 2 220.320 0.887 20 0 BCADLP Cc1[nH]ncc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346832641 355129638 /nfs/dbraw/zinc/12/96/38/355129638.db2.gz RHZFAQMLXIOKQL-MVWJERBFSA-N 2 2 220.320 0.887 20 0 BCADLP CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(C)(C)[NH3+])[C@H]2C1 ZINC000346966011 355173278 /nfs/dbraw/zinc/17/32/78/355173278.db2.gz CJYJMPOGHZFFLK-WOPDTQHZSA-N 2 2 242.363 0.992 20 0 BCADLP CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(C)(C)[NH3+])[C@H]2C1 ZINC000346966011 355173282 /nfs/dbraw/zinc/17/32/82/355173282.db2.gz CJYJMPOGHZFFLK-WOPDTQHZSA-N 2 2 242.363 0.992 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c[nH+]1 ZINC000335243456 355180288 /nfs/dbraw/zinc/18/02/88/355180288.db2.gz XWBVEJJBXMYDDL-ZJUUUORDSA-N 2 2 236.319 0.965 20 0 BCADLP COC[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000346985523 355186374 /nfs/dbraw/zinc/18/63/74/355186374.db2.gz OXGKBFORRSUULQ-RYUDHWBXSA-N 2 2 228.336 0.333 20 0 BCADLP COC[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000346985523 355186377 /nfs/dbraw/zinc/18/63/77/355186377.db2.gz OXGKBFORRSUULQ-RYUDHWBXSA-N 2 2 228.336 0.333 20 0 BCADLP COC[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000346985525 355186385 /nfs/dbraw/zinc/18/63/85/355186385.db2.gz OXGKBFORRSUULQ-VXGBXAGGSA-N 2 2 228.336 0.333 20 0 BCADLP COC[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000346985525 355186387 /nfs/dbraw/zinc/18/63/87/355186387.db2.gz OXGKBFORRSUULQ-VXGBXAGGSA-N 2 2 228.336 0.333 20 0 BCADLP Cn1cc[nH+]c1CN1CC[NH2+]C[C@@](C)(F)C1 ZINC000335255708 355187337 /nfs/dbraw/zinc/18/73/37/355187337.db2.gz JEBSDVYUGKQWKO-LLVKDONJSA-N 2 2 226.299 0.554 20 0 BCADLP COC(=O)c1cc(C[N@H+](C)[C@H](C)C[NH3+])c[nH]1 ZINC000346996650 355193868 /nfs/dbraw/zinc/19/38/68/355193868.db2.gz CULSVOSQCHINDY-MRVPVSSYSA-N 2 2 225.292 0.580 20 0 BCADLP COC(=O)c1cc(C[N@@H+](C)[C@H](C)C[NH3+])c[nH]1 ZINC000346996650 355193871 /nfs/dbraw/zinc/19/38/71/355193871.db2.gz CULSVOSQCHINDY-MRVPVSSYSA-N 2 2 225.292 0.580 20 0 BCADLP CCC[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346998149 355196095 /nfs/dbraw/zinc/19/60/95/355196095.db2.gz FHQNPDRQMGQUBN-NWDGAFQWSA-N 2 2 239.363 0.587 20 0 BCADLP CCC[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346998149 355196098 /nfs/dbraw/zinc/19/60/98/355196098.db2.gz FHQNPDRQMGQUBN-NWDGAFQWSA-N 2 2 239.363 0.587 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC000113513354 355250274 /nfs/dbraw/zinc/25/02/74/355250274.db2.gz ZYXUVULDORGIIF-JTQLQIEISA-N 2 2 225.336 0.149 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000113513354 355250275 /nfs/dbraw/zinc/25/02/75/355250275.db2.gz ZYXUVULDORGIIF-JTQLQIEISA-N 2 2 225.336 0.149 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113514477 355251047 /nfs/dbraw/zinc/25/10/47/355251047.db2.gz ZHZLLWGXIJQLJW-GFCCVEGCSA-N 2 2 241.379 0.642 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113514477 355251049 /nfs/dbraw/zinc/25/10/49/355251049.db2.gz ZHZLLWGXIJQLJW-GFCCVEGCSA-N 2 2 241.379 0.642 20 0 BCADLP C[C@@H](C(N)=O)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535572372 355368420 /nfs/dbraw/zinc/36/84/20/355368420.db2.gz BQYPKRXJRBTIAM-JTQLQIEISA-N 2 2 248.330 0.832 20 0 BCADLP C[C@@H]1C[N@H+](C)CCN1CCCc1c[nH+]cn1C ZINC000583507553 355344251 /nfs/dbraw/zinc/34/42/51/355344251.db2.gz BKASTKRTPRPBGH-GFCCVEGCSA-N 2 2 236.363 0.989 20 0 BCADLP C[C@@H]1C[N@@H+](C)CCN1CCCc1c[nH+]cn1C ZINC000583507553 355344254 /nfs/dbraw/zinc/34/42/54/355344254.db2.gz BKASTKRTPRPBGH-GFCCVEGCSA-N 2 2 236.363 0.989 20 0 BCADLP C[C@@H]1CN(C)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000583507553 355344257 /nfs/dbraw/zinc/34/42/57/355344257.db2.gz BKASTKRTPRPBGH-GFCCVEGCSA-N 2 2 236.363 0.989 20 0 BCADLP C[C@@H]1CN(C)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000583507553 355344260 /nfs/dbraw/zinc/34/42/60/355344260.db2.gz BKASTKRTPRPBGH-GFCCVEGCSA-N 2 2 236.363 0.989 20 0 BCADLP C[C@@H](CC[NH3+])NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000349951423 355534501 /nfs/dbraw/zinc/53/45/01/355534501.db2.gz LSLYPVOBPIUTPS-JTQLQIEISA-N 2 2 246.314 0.730 20 0 BCADLP [NH2+]=C(NO)[C@H]1CCCCN1CCn1cc[nH+]c1 ZINC000368527805 181200198 /nfs/dbraw/zinc/20/01/98/181200198.db2.gz VPMJYHGJNNWXAM-SNVBAGLBSA-N 2 2 237.307 0.694 20 0 BCADLP CO[C@@H](C[N@H+](C)CC1C[NH+](C)C1)[C@H]1CCOC1 ZINC000639308888 355663677 /nfs/dbraw/zinc/66/36/77/355663677.db2.gz DZQZZFCKONWTNK-STQMWFEESA-N 2 2 242.363 0.531 20 0 BCADLP CO[C@@H](C[N@@H+](C)CC1C[NH+](C)C1)[C@H]1CCOC1 ZINC000639308888 355663678 /nfs/dbraw/zinc/66/36/78/355663678.db2.gz DZQZZFCKONWTNK-STQMWFEESA-N 2 2 242.363 0.531 20 0 BCADLP NC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1CCn1cc[nH+]c1 ZINC000330576311 181204984 /nfs/dbraw/zinc/20/49/84/181204984.db2.gz ONISHFVOHIYIFE-BDAKNGLRSA-N 2 2 226.255 0.831 20 0 BCADLP NC(=O)[C@@H]1C[C@@H](F)C[N@H+]1CCn1cc[nH+]c1 ZINC000330576311 181204987 /nfs/dbraw/zinc/20/49/87/181204987.db2.gz ONISHFVOHIYIFE-BDAKNGLRSA-N 2 2 226.255 0.831 20 0 BCADLP COc1cc(C[NH2+]C2CC[NH+](C)CC2)on1 ZINC000639323626 355717280 /nfs/dbraw/zinc/71/72/80/355717280.db2.gz FAUGAZFYHPXYSQ-UHFFFAOYSA-N 2 2 225.292 0.867 20 0 BCADLP C[C@@H](O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335886879 355677605 /nfs/dbraw/zinc/67/76/05/355677605.db2.gz RFXZTXZANFBKMW-SECBINFHSA-N 2 2 209.293 0.970 20 0 BCADLP CO[C@@H](C[NH2+]C[C@H]1CCC[N@@H+]1C)[C@H]1CCOC1 ZINC000639347969 355789055 /nfs/dbraw/zinc/78/90/55/355789055.db2.gz BFQFNEFJECLFNT-XQQFMLRXSA-N 2 2 242.363 0.722 20 0 BCADLP CO[C@@H](C[NH2+]C[C@H]1CCC[N@H+]1C)[C@H]1CCOC1 ZINC000639347969 355789058 /nfs/dbraw/zinc/78/90/58/355789058.db2.gz BFQFNEFJECLFNT-XQQFMLRXSA-N 2 2 242.363 0.722 20 0 BCADLP CO[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+]1C)[C@H]1CCOC1 ZINC000639353905 355801684 /nfs/dbraw/zinc/80/16/84/355801684.db2.gz BFQFNEFJECLFNT-AVGNSLFASA-N 2 2 242.363 0.722 20 0 BCADLP CO[C@@H](C[NH2+]C[C@@H]1CCC[N@H+]1C)[C@H]1CCOC1 ZINC000639353905 355801687 /nfs/dbraw/zinc/80/16/87/355801687.db2.gz BFQFNEFJECLFNT-AVGNSLFASA-N 2 2 242.363 0.722 20 0 BCADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CC1(F)F ZINC000639354141 355804155 /nfs/dbraw/zinc/80/41/55/355804155.db2.gz DUBUUOBSJKBAOU-AEJSXWLSSA-N 2 2 234.290 0.686 20 0 BCADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)[C@@H]1CC1(F)F ZINC000639354141 355804158 /nfs/dbraw/zinc/80/41/58/355804158.db2.gz DUBUUOBSJKBAOU-AEJSXWLSSA-N 2 2 234.290 0.686 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+]CCC2CCOCC2)C1 ZINC000639354337 355806092 /nfs/dbraw/zinc/80/60/92/355806092.db2.gz GXJAZCREVNGRLZ-CYBMUJFWSA-N 2 2 242.363 0.459 20 0 BCADLP O[C@@H]1CC[N@@H+](CC[NH2+]CCC2CCOCC2)C1 ZINC000639354337 355806094 /nfs/dbraw/zinc/80/60/94/355806094.db2.gz GXJAZCREVNGRLZ-CYBMUJFWSA-N 2 2 242.363 0.459 20 0 BCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623254342 355852825 /nfs/dbraw/zinc/85/28/25/355852825.db2.gz ZDEKOTKMMRMYSB-SNVBAGLBSA-N 2 2 245.286 0.129 20 0 BCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC[N@@H+]1C ZINC000623255475 355859957 /nfs/dbraw/zinc/85/99/57/355859957.db2.gz JAEYNLHYRXPJLW-CKYFFXLPSA-N 2 2 248.330 0.264 20 0 BCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC[N@H+]1C ZINC000623255475 355859961 /nfs/dbraw/zinc/85/99/61/355859961.db2.gz JAEYNLHYRXPJLW-CKYFFXLPSA-N 2 2 248.330 0.264 20 0 BCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn2cccnc2n1 ZINC000216199686 355926330 /nfs/dbraw/zinc/92/63/30/355926330.db2.gz XVVXQKRUCYEDBN-MNOVXSKESA-N 2 2 245.330 0.898 20 0 BCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn2cccnc2n1 ZINC000216199686 355926332 /nfs/dbraw/zinc/92/63/32/355926332.db2.gz XVVXQKRUCYEDBN-MNOVXSKESA-N 2 2 245.330 0.898 20 0 BCADLP C[C@H](CO)[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000166905906 355937630 /nfs/dbraw/zinc/93/76/30/355937630.db2.gz WYOPRKQOPJZRJT-ZJUUUORDSA-N 2 2 240.351 0.593 20 0 BCADLP C[NH+](C)C1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623256870 355983878 /nfs/dbraw/zinc/98/38/78/355983878.db2.gz YQXRJPCHMKRNHD-VIFPVBQESA-N 2 2 234.303 0.018 20 0 BCADLP CC(C)[C@@H](C(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC000216465406 355995261 /nfs/dbraw/zinc/99/52/61/355995261.db2.gz SMCXWWYOEJUGOD-NSHDSACASA-N 2 2 227.352 0.347 20 0 BCADLP CC[C@H](C(=O)N1CC[NH+](CC)CC1)[NH+](C)C ZINC000351490305 356000609 /nfs/dbraw/zinc/00/06/09/356000609.db2.gz KPVVGLDVLPJXJX-LLVKDONJSA-N 2 2 227.352 0.491 20 0 BCADLP CC(C)[NH2+]C1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000335918975 356166087 /nfs/dbraw/zinc/16/60/87/356166087.db2.gz FJDOSUOYOKSZSL-GFCCVEGCSA-N 2 2 239.363 0.727 20 0 BCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623261569 356148733 /nfs/dbraw/zinc/14/87/33/356148733.db2.gz XHUFNOJRWYXOOV-PWSUYJOCSA-N 2 2 248.330 0.408 20 0 BCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623261569 356148738 /nfs/dbraw/zinc/14/87/38/356148738.db2.gz XHUFNOJRWYXOOV-PWSUYJOCSA-N 2 2 248.330 0.408 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000639446558 356224851 /nfs/dbraw/zinc/22/48/51/356224851.db2.gz QNPAYWAMRNDWJQ-LLVKDONJSA-N 2 2 236.319 0.302 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H]1C(N)=O ZINC000639446558 356224854 /nfs/dbraw/zinc/22/48/54/356224854.db2.gz QNPAYWAMRNDWJQ-LLVKDONJSA-N 2 2 236.319 0.302 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000420268548 192192644 /nfs/dbraw/zinc/19/26/44/192192644.db2.gz HAIYJRNLGXDVQR-JTQLQIEISA-N 2 2 213.325 0.278 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000420268548 192192646 /nfs/dbraw/zinc/19/26/46/192192646.db2.gz HAIYJRNLGXDVQR-JTQLQIEISA-N 2 2 213.325 0.278 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CCN1c1cc(NC2CC2)[nH+]cn1 ZINC000420251733 192187598 /nfs/dbraw/zinc/18/75/98/192187598.db2.gz MHZSILUBPDGYGK-WPRPVWTQSA-N 2 2 233.319 0.977 20 0 BCADLP CC(C)N(C)C(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000420296404 192205462 /nfs/dbraw/zinc/20/54/62/192205462.db2.gz BUSAKPFLRRXVIN-LBPRGKRZSA-N 2 2 229.368 0.816 20 0 BCADLP [NH3+]CC[N@H+](CCO)CCCCC(F)(F)F ZINC000420300609 192206332 /nfs/dbraw/zinc/20/63/32/192206332.db2.gz CTAZUNHGKPNDNA-UHFFFAOYSA-N 2 2 228.258 0.972 20 0 BCADLP [NH3+]CC[N@@H+](CCO)CCCCC(F)(F)F ZINC000420300609 192206333 /nfs/dbraw/zinc/20/63/33/192206333.db2.gz CTAZUNHGKPNDNA-UHFFFAOYSA-N 2 2 228.258 0.972 20 0 BCADLP COC(=O)CC1(C[N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC000420275473 192198248 /nfs/dbraw/zinc/19/82/48/192198248.db2.gz QEJHCVTTZMEWJI-SECBINFHSA-N 2 2 212.293 0.363 20 0 BCADLP COC(=O)CC1(C[N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC000420275473 192198250 /nfs/dbraw/zinc/19/82/50/192198250.db2.gz QEJHCVTTZMEWJI-SECBINFHSA-N 2 2 212.293 0.363 20 0 BCADLP CCOC(=O)CC[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000420283304 192200167 /nfs/dbraw/zinc/20/01/67/192200167.db2.gz BXEQSQINQQRIJN-MNOVXSKESA-N 2 2 228.336 0.999 20 0 BCADLP CCOC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000420283304 192200169 /nfs/dbraw/zinc/20/01/69/192200169.db2.gz BXEQSQINQQRIJN-MNOVXSKESA-N 2 2 228.336 0.999 20 0 BCADLP C[C@H](CCNC(=O)CCn1cc[nH+]c1)[NH+](C)C ZINC000617752823 356312084 /nfs/dbraw/zinc/31/20/84/356312084.db2.gz VHUVOJLKMSCUGN-LLVKDONJSA-N 2 2 238.335 0.730 20 0 BCADLP C[C@H](c1cnccn1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282223 356314170 /nfs/dbraw/zinc/31/41/70/356314170.db2.gz MSUFRKLXEOEHGV-MXWKQRLJSA-N 2 2 218.304 0.689 20 0 BCADLP C[C@H](c1cnccn1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282223 356314173 /nfs/dbraw/zinc/31/41/73/356314173.db2.gz MSUFRKLXEOEHGV-MXWKQRLJSA-N 2 2 218.304 0.689 20 0 BCADLP CCOC(=O)CC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000420290946 192201404 /nfs/dbraw/zinc/20/14/04/192201404.db2.gz MQXJGZSNYDTSEH-VIFPVBQESA-N 2 2 200.282 0.363 20 0 BCADLP CCOC(=O)CC[N@H+]1CCC[C@H]1C[NH3+] ZINC000420290946 192201407 /nfs/dbraw/zinc/20/14/07/192201407.db2.gz MQXJGZSNYDTSEH-VIFPVBQESA-N 2 2 200.282 0.363 20 0 BCADLP [NH3+]CC[N@H+](CCO)CC[C@@H]1CCCCO1 ZINC000420299366 192207239 /nfs/dbraw/zinc/20/72/39/192207239.db2.gz AXWWMCOUUXKDCU-NSHDSACASA-N 2 2 216.325 0.199 20 0 BCADLP [NH3+]CC[N@@H+](CCO)CC[C@@H]1CCCCO1 ZINC000420299366 192207242 /nfs/dbraw/zinc/20/72/42/192207242.db2.gz AXWWMCOUUXKDCU-NSHDSACASA-N 2 2 216.325 0.199 20 0 BCADLP CC[N@H+](CC(=O)OC)[C@@H]1CCC[NH2+]CC1 ZINC000420315906 192213076 /nfs/dbraw/zinc/21/30/76/192213076.db2.gz SEYHLKSCYALSNS-SNVBAGLBSA-N 2 2 214.309 0.623 20 0 BCADLP CC[N@@H+](CC(=O)OC)[C@@H]1CCC[NH2+]CC1 ZINC000420315906 192213078 /nfs/dbraw/zinc/21/30/78/192213078.db2.gz SEYHLKSCYALSNS-SNVBAGLBSA-N 2 2 214.309 0.623 20 0 BCADLP CC(C)N1CCC[C@@H]([N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)C1=O ZINC000420355846 192218791 /nfs/dbraw/zinc/21/87/91/192218791.db2.gz COPSZOOGUFQQBV-IJLUTSLNSA-N 2 2 239.363 0.665 20 0 BCADLP CC(C)N1CCC[C@@H]([N@H+]2C[C@@H](C)[C@H]([NH3+])C2)C1=O ZINC000420355846 192218794 /nfs/dbraw/zinc/21/87/94/192218794.db2.gz COPSZOOGUFQQBV-IJLUTSLNSA-N 2 2 239.363 0.665 20 0 BCADLP C[NH2+]CC[N@H+](C)CCC(=O)Nc1cccnc1 ZINC000420339243 192216460 /nfs/dbraw/zinc/21/64/60/192216460.db2.gz PRIYGUPSMCXHOH-UHFFFAOYSA-N 2 2 236.319 0.561 20 0 BCADLP C[NH2+]CC[N@@H+](C)CCC(=O)Nc1cccnc1 ZINC000420339243 192216462 /nfs/dbraw/zinc/21/64/62/192216462.db2.gz PRIYGUPSMCXHOH-UHFFFAOYSA-N 2 2 236.319 0.561 20 0 BCADLP CC(C)N1CCC[C@@H]([N@@H+]2CC[C@H]([NH3+])[C@@H]2C)C1=O ZINC000420353657 192217651 /nfs/dbraw/zinc/21/76/51/192217651.db2.gz NNVGUNOJULMLGA-SDDRHHMPSA-N 2 2 239.363 0.807 20 0 BCADLP CC(C)N1CCC[C@@H]([N@H+]2CC[C@H]([NH3+])[C@@H]2C)C1=O ZINC000420353657 192217654 /nfs/dbraw/zinc/21/76/54/192217654.db2.gz NNVGUNOJULMLGA-SDDRHHMPSA-N 2 2 239.363 0.807 20 0 BCADLP NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000275593008 181267459 /nfs/dbraw/zinc/26/74/59/181267459.db2.gz JSFGHFYMPQICFA-MNOVXSKESA-N 2 2 236.319 0.517 20 0 BCADLP [NH3+]CC[N@H+](CCO)CCCCC1CCOCC1 ZINC000420309583 192211167 /nfs/dbraw/zinc/21/11/67/192211167.db2.gz ORCADRBMWVLRRA-UHFFFAOYSA-N 2 2 244.379 0.836 20 0 BCADLP [NH3+]CC[N@@H+](CCO)CCCCC1CCOCC1 ZINC000420309583 192211168 /nfs/dbraw/zinc/21/11/68/192211168.db2.gz ORCADRBMWVLRRA-UHFFFAOYSA-N 2 2 244.379 0.836 20 0 BCADLP CCOC(=O)CC[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000420321805 192226824 /nfs/dbraw/zinc/22/68/24/192226824.db2.gz RSJOQNOUOXYXKC-NSHDSACASA-N 2 2 226.320 0.766 20 0 BCADLP CCOC(=O)CC[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000420321805 192226827 /nfs/dbraw/zinc/22/68/27/192226827.db2.gz RSJOQNOUOXYXKC-NSHDSACASA-N 2 2 226.320 0.766 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420370484 192227630 /nfs/dbraw/zinc/22/76/30/192227630.db2.gz VZDJAMBOXDCSBJ-JTQLQIEISA-N 2 2 229.368 0.818 20 0 BCADLP CC(C)N(C)C(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420354777 192219349 /nfs/dbraw/zinc/21/93/49/192219349.db2.gz BMOMSEWZUSRWER-NQBHXWOUSA-N 2 2 241.379 0.829 20 0 BCADLP COC(=O)[C@@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000420356773 192219985 /nfs/dbraw/zinc/21/99/85/192219985.db2.gz HBLVZSMGCVCLAH-RKDXNWHRSA-N 2 2 200.282 0.219 20 0 BCADLP COC(=O)[C@@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000420356773 192219987 /nfs/dbraw/zinc/21/99/87/192219987.db2.gz HBLVZSMGCVCLAH-RKDXNWHRSA-N 2 2 200.282 0.219 20 0 BCADLP CCNC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420362256 192221956 /nfs/dbraw/zinc/22/19/56/192221956.db2.gz IQPSXPFACONUIY-WCABBAIRSA-N 2 2 213.325 0.099 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420359983 192222964 /nfs/dbraw/zinc/22/29/64/192222964.db2.gz GNIMUCLFFHCXMZ-NQBHXWOUSA-N 2 2 241.379 0.831 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000420381561 192235629 /nfs/dbraw/zinc/23/56/29/192235629.db2.gz XZCSUFSXLLBAKC-ZDUSSCGKSA-N 2 2 242.363 0.723 20 0 BCADLP C[NH2+]CCC[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000420381561 192235630 /nfs/dbraw/zinc/23/56/30/192235630.db2.gz XZCSUFSXLLBAKC-ZDUSSCGKSA-N 2 2 242.363 0.723 20 0 BCADLP CCCCNC(=O)CC[N@H+](C)CC[NH3+] ZINC000420377007 192231303 /nfs/dbraw/zinc/23/13/03/192231303.db2.gz KKSJGWSWDKISMZ-UHFFFAOYSA-N 2 2 201.314 0.183 20 0 BCADLP CCCCNC(=O)CC[N@@H+](C)CC[NH3+] ZINC000420377007 192231306 /nfs/dbraw/zinc/23/13/06/192231306.db2.gz KKSJGWSWDKISMZ-UHFFFAOYSA-N 2 2 201.314 0.183 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000420375138 192232288 /nfs/dbraw/zinc/23/22/88/192232288.db2.gz SQMSBZPGIOZZKZ-FOGDFJRCSA-N 2 2 241.379 0.877 20 0 BCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1ccnn1C ZINC000420377699 192232912 /nfs/dbraw/zinc/23/29/12/192232912.db2.gz WJSOOSIYEGHAJK-JFGNBEQYSA-N 2 2 222.336 0.896 20 0 BCADLP C[C@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@@H]1O ZINC000639558026 356462763 /nfs/dbraw/zinc/46/27/63/356462763.db2.gz WCEKJKLNRAPUTN-ONGXEEELSA-N 2 2 209.293 0.275 20 0 BCADLP C[C@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@@H]1O ZINC000639558026 356462766 /nfs/dbraw/zinc/46/27/66/356462766.db2.gz WCEKJKLNRAPUTN-ONGXEEELSA-N 2 2 209.293 0.275 20 0 BCADLP C[C@@H]1C[C@H](O)C[N@@H+]1CCc1c[nH+]cn1C ZINC000639551696 356437291 /nfs/dbraw/zinc/43/72/91/356437291.db2.gz NBCSTGRJLJCKFJ-KOLCDFICSA-N 2 2 209.293 0.418 20 0 BCADLP C[C@@H]1C[C@H](O)C[N@H+]1CCc1c[nH+]cn1C ZINC000639551696 356437295 /nfs/dbraw/zinc/43/72/95/356437295.db2.gz NBCSTGRJLJCKFJ-KOLCDFICSA-N 2 2 209.293 0.418 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000019843076 356486288 /nfs/dbraw/zinc/48/62/88/356486288.db2.gz KXPZVOFVYHGWFG-MNOVXSKESA-N 2 2 227.352 0.572 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000019843076 356486291 /nfs/dbraw/zinc/48/62/91/356486291.db2.gz KXPZVOFVYHGWFG-MNOVXSKESA-N 2 2 227.352 0.572 20 0 BCADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@H](CO)O1 ZINC000639607302 356522732 /nfs/dbraw/zinc/52/27/32/356522732.db2.gz RJODOVKBKGTTCY-ZYHUDNBSSA-N 2 2 239.319 0.044 20 0 BCADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@H](CO)O1 ZINC000639607302 356522736 /nfs/dbraw/zinc/52/27/36/356522736.db2.gz RJODOVKBKGTTCY-ZYHUDNBSSA-N 2 2 239.319 0.044 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)[C@]1(CO)CCOC1 ZINC000639596253 356516356 /nfs/dbraw/zinc/51/63/56/356516356.db2.gz JVNXZYSOXGFXPT-LBPRGKRZSA-N 2 2 239.319 0.046 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@]1(CO)CCOC1 ZINC000639596253 356516362 /nfs/dbraw/zinc/51/63/62/356516362.db2.gz JVNXZYSOXGFXPT-LBPRGKRZSA-N 2 2 239.319 0.046 20 0 BCADLP C[N@H+](CCC(=O)Nc1cccnc1)[C@H]1CC[NH2+]C1 ZINC000578132604 366294643 /nfs/dbraw/zinc/29/46/43/366294643.db2.gz OJHBQNJOXXEAQF-LBPRGKRZSA-N 2 2 248.330 0.704 20 0 BCADLP C[N@@H+](CCC(=O)Nc1cccnc1)[C@H]1CC[NH2+]C1 ZINC000578132604 366294648 /nfs/dbraw/zinc/29/46/48/366294648.db2.gz OJHBQNJOXXEAQF-LBPRGKRZSA-N 2 2 248.330 0.704 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)CC(C)(C)CO ZINC000639658873 356567114 /nfs/dbraw/zinc/56/71/14/356567114.db2.gz KSEKAOJAYMMGNE-UHFFFAOYSA-N 2 2 225.336 0.913 20 0 BCADLP CC[C@H](CO)[N@H+](C)CCc1c[nH+]cn1C ZINC000639658699 356567404 /nfs/dbraw/zinc/56/74/04/356567404.db2.gz CGUKSMJPSRNQBE-SNVBAGLBSA-N 2 2 211.309 0.665 20 0 BCADLP CC[C@H](CO)[N@@H+](C)CCc1c[nH+]cn1C ZINC000639658699 356567407 /nfs/dbraw/zinc/56/74/07/356567407.db2.gz CGUKSMJPSRNQBE-SNVBAGLBSA-N 2 2 211.309 0.665 20 0 BCADLP CC(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000639660918 356570952 /nfs/dbraw/zinc/57/09/52/356570952.db2.gz WRICZPGKIBKETJ-LBPRGKRZSA-N 2 2 210.321 0.993 20 0 BCADLP CC(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000639660918 356570955 /nfs/dbraw/zinc/57/09/55/356570955.db2.gz WRICZPGKIBKETJ-LBPRGKRZSA-N 2 2 210.321 0.993 20 0 BCADLP CC(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000639660918 356570963 /nfs/dbraw/zinc/57/09/63/356570963.db2.gz WRICZPGKIBKETJ-LBPRGKRZSA-N 2 2 210.321 0.993 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623303899 356594686 /nfs/dbraw/zinc/59/46/86/356594686.db2.gz NCYDGPLUFVVQQV-PWSUYJOCSA-N 2 2 248.330 0.408 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623303899 356594682 /nfs/dbraw/zinc/59/46/82/356594682.db2.gz NCYDGPLUFVVQQV-PWSUYJOCSA-N 2 2 248.330 0.408 20 0 BCADLP CCOC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122704456 363510545 /nfs/dbraw/zinc/51/05/45/363510545.db2.gz LFCSWISWFZZZJY-ZJUUUORDSA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122704456 363510550 /nfs/dbraw/zinc/51/05/50/363510550.db2.gz LFCSWISWFZZZJY-ZJUUUORDSA-N 2 2 214.309 0.609 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@@H]1C ZINC000578140199 366319634 /nfs/dbraw/zinc/31/96/34/366319634.db2.gz BYHRTRNWHNQTPA-SRVKXCTJSA-N 2 2 230.352 0.266 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@@H]1C ZINC000578140199 366319642 /nfs/dbraw/zinc/31/96/42/366319642.db2.gz BYHRTRNWHNQTPA-SRVKXCTJSA-N 2 2 230.352 0.266 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000578140199 366319645 /nfs/dbraw/zinc/31/96/45/366319645.db2.gz BYHRTRNWHNQTPA-SRVKXCTJSA-N 2 2 230.352 0.266 20 0 BCADLP COC(=O)[C@H](C1CC1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000390469991 356716516 /nfs/dbraw/zinc/71/65/16/356716516.db2.gz IYMAOHMTHQRIFX-DCAQKATOSA-N 2 2 224.304 0.089 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+]C2CCSCC2)C1 ZINC000623758193 356789507 /nfs/dbraw/zinc/78/95/07/356789507.db2.gz SCNXZNWIRFVOIJ-LLVKDONJSA-N 2 2 230.377 0.538 20 0 BCADLP O[C@@H]1CC[N@@H+](CC[NH2+]C2CCSCC2)C1 ZINC000623758193 356789511 /nfs/dbraw/zinc/78/95/11/356789511.db2.gz SCNXZNWIRFVOIJ-LLVKDONJSA-N 2 2 230.377 0.538 20 0 BCADLP C[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000623759006 356821275 /nfs/dbraw/zinc/82/12/75/356821275.db2.gz WLHFDNKVLFMRQZ-GRYCIOLGSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000623759006 356821277 /nfs/dbraw/zinc/82/12/77/356821277.db2.gz WLHFDNKVLFMRQZ-GRYCIOLGSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@@]1(CO)C[C@@H](O)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000639852725 356856606 /nfs/dbraw/zinc/85/66/06/356856606.db2.gz GWONJSHUUKWMRK-NEPJUHHUSA-N 2 2 239.319 0.091 20 0 BCADLP C[C@@]1(CO)C[C@@H](O)C[N@H+]1CCCn1cc[nH+]c1 ZINC000639852725 356856607 /nfs/dbraw/zinc/85/66/07/356856607.db2.gz GWONJSHUUKWMRK-NEPJUHHUSA-N 2 2 239.319 0.091 20 0 BCADLP CC[NH+]1CCC([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000358252849 356864793 /nfs/dbraw/zinc/86/47/93/356864793.db2.gz OAJPWQCCFJKRGX-ZDUSSCGKSA-N 3 2 241.379 0.127 20 0 BCADLP CC[NH+]1CCC([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358252849 356864798 /nfs/dbraw/zinc/86/47/98/356864798.db2.gz OAJPWQCCFJKRGX-ZDUSSCGKSA-N 3 2 241.379 0.127 20 0 BCADLP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360814709 356912176 /nfs/dbraw/zinc/91/21/76/356912176.db2.gz CXMWJLRCRMUPDS-IUCAKERBSA-N 2 2 249.305 0.617 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCOC1 ZINC000389611404 357003241 /nfs/dbraw/zinc/00/32/41/357003241.db2.gz BDZGNAZDUBFPQI-MNOVXSKESA-N 2 2 216.325 0.020 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCOC1 ZINC000389611404 357003244 /nfs/dbraw/zinc/00/32/44/357003244.db2.gz BDZGNAZDUBFPQI-MNOVXSKESA-N 2 2 216.325 0.020 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCOC1 ZINC000389611404 357003247 /nfs/dbraw/zinc/00/32/47/357003247.db2.gz BDZGNAZDUBFPQI-MNOVXSKESA-N 2 2 216.325 0.020 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCOC1 ZINC000389611404 357003249 /nfs/dbraw/zinc/00/32/49/357003249.db2.gz BDZGNAZDUBFPQI-MNOVXSKESA-N 2 2 216.325 0.020 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000390419696 357092385 /nfs/dbraw/zinc/09/23/85/357092385.db2.gz JAEYPFWFROBRRP-MNOVXSKESA-N 2 2 227.352 0.442 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000390419696 357092391 /nfs/dbraw/zinc/09/23/91/357092391.db2.gz JAEYPFWFROBRRP-MNOVXSKESA-N 2 2 227.352 0.442 20 0 BCADLP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000390680902 357114117 /nfs/dbraw/zinc/11/41/17/357114117.db2.gz ZQXGWOPTTRKGRK-GRYCIOLGSA-N 3 2 211.353 0.655 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000390680902 357114124 /nfs/dbraw/zinc/11/41/24/357114124.db2.gz ZQXGWOPTTRKGRK-GRYCIOLGSA-N 3 2 211.353 0.655 20 0 BCADLP Cc1nc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)n[nH]1 ZINC000392383419 357150333 /nfs/dbraw/zinc/15/03/33/357150333.db2.gz HCUPISVDBBGHCA-ONGXEEELSA-N 2 2 237.351 0.585 20 0 BCADLP Cc1nc(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)n[nH]1 ZINC000392383419 357150338 /nfs/dbraw/zinc/15/03/38/357150338.db2.gz HCUPISVDBBGHCA-ONGXEEELSA-N 2 2 237.351 0.585 20 0 BCADLP Cc1nnc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)[nH]1 ZINC000392383419 357150341 /nfs/dbraw/zinc/15/03/41/357150341.db2.gz HCUPISVDBBGHCA-ONGXEEELSA-N 2 2 237.351 0.585 20 0 BCADLP Cc1nnc(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)[nH]1 ZINC000392383419 357150343 /nfs/dbraw/zinc/15/03/43/357150343.db2.gz HCUPISVDBBGHCA-ONGXEEELSA-N 2 2 237.351 0.585 20 0 BCADLP Cc1ccc([C@@H]([NH3+])c2nc(C[NH3+])no2)cc1 ZINC000582545902 357331677 /nfs/dbraw/zinc/33/16/77/357331677.db2.gz NXOLKRPDEXDGAD-SNVBAGLBSA-N 2 2 218.260 0.885 20 0 BCADLP Cn1ncnc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000582847860 357417681 /nfs/dbraw/zinc/41/76/81/357417681.db2.gz AOLJRXSCKCCKKV-NWDGAFQWSA-N 2 2 249.362 0.779 20 0 BCADLP Cn1ncnc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000582847860 357417685 /nfs/dbraw/zinc/41/76/85/357417685.db2.gz AOLJRXSCKCCKKV-NWDGAFQWSA-N 2 2 249.362 0.779 20 0 BCADLP c1ncc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000157714241 538835640 /nfs/dbraw/zinc/83/56/40/538835640.db2.gz YCJKCUQQHDNOPA-RKDXNWHRSA-N 2 2 209.318 0.794 20 0 BCADLP CN(CC[NH+]1CCCC1)C(=O)Cn1cc[nH+]c1 ZINC000073377881 357447988 /nfs/dbraw/zinc/44/79/88/357447988.db2.gz NOKGQNZZXLYXQD-UHFFFAOYSA-N 2 2 236.319 0.437 20 0 BCADLP CCC[NH2+][C@@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000583142437 357493325 /nfs/dbraw/zinc/49/33/25/357493325.db2.gz WHTVUVZHIGSYQD-QMMMGPOBSA-N 2 2 210.281 0.414 20 0 BCADLP C[NH2+]Cc1noc([C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000583203847 357519406 /nfs/dbraw/zinc/51/94/06/357519406.db2.gz WMXLVMSPTAXZPT-YUMQZZPRSA-N 2 2 210.281 0.774 20 0 BCADLP COC[C@@H](O)C[NH2+]CCc1cc[nH+]cc1C ZINC000397520109 357536437 /nfs/dbraw/zinc/53/64/37/357536437.db2.gz CRYWJEJNGNTGLO-LBPRGKRZSA-N 2 2 224.304 0.529 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CC(C)(C)[NH3+] ZINC000082771934 491112499 /nfs/dbraw/zinc/11/24/99/491112499.db2.gz NIQBUWQMDQJTFZ-SECBINFHSA-N 2 2 224.308 0.515 20 0 BCADLP C[C@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@@H]1CO ZINC000189735801 357665190 /nfs/dbraw/zinc/66/51/90/357665190.db2.gz JLCJANSTBOREBO-NWDGAFQWSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@@H]1CO ZINC000189735801 357665193 /nfs/dbraw/zinc/66/51/93/357665193.db2.gz JLCJANSTBOREBO-NWDGAFQWSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H](O)C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000192972133 357861943 /nfs/dbraw/zinc/86/19/43/357861943.db2.gz LJNUVRDMNAMYFZ-VXGBXAGGSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H](O)C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000192972133 357861945 /nfs/dbraw/zinc/86/19/45/357861945.db2.gz LJNUVRDMNAMYFZ-VXGBXAGGSA-N 2 2 242.363 0.552 20 0 BCADLP COCCC[N@H+](C)CC[NH2+][C@@H]1CCOC[C@H]1C ZINC000192603207 357846045 /nfs/dbraw/zinc/84/60/45/357846045.db2.gz HAWHVUVASOZZGF-CHWSQXEVSA-N 2 2 244.379 0.969 20 0 BCADLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CCOC[C@H]1C ZINC000192603207 357846049 /nfs/dbraw/zinc/84/60/49/357846049.db2.gz HAWHVUVASOZZGF-CHWSQXEVSA-N 2 2 244.379 0.969 20 0 BCADLP C[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000192985885 357863319 /nfs/dbraw/zinc/86/33/19/357863319.db2.gz JMDSIZJXUIUTIR-NWDGAFQWSA-N 2 2 228.336 0.021 20 0 BCADLP C[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000192985885 357863323 /nfs/dbraw/zinc/86/33/23/357863323.db2.gz JMDSIZJXUIUTIR-NWDGAFQWSA-N 2 2 228.336 0.021 20 0 BCADLP [NH3+][C@@H](C(=O)NCCCn1cc[nH+]c1)C1CCC1 ZINC000399256999 357900131 /nfs/dbraw/zinc/90/01/31/357900131.db2.gz NSAFJGVZSJYSCS-LLVKDONJSA-N 2 2 236.319 0.517 20 0 BCADLP Cc1[nH+]cc(C[N@@H+](C)C[C@@H](O)C2CC2)n1C ZINC000668166827 491117925 /nfs/dbraw/zinc/11/79/25/491117925.db2.gz JDQDTEYLCLWQRY-GFCCVEGCSA-N 2 2 223.320 0.931 20 0 BCADLP Cc1[nH+]cc(C[N@H+](C)C[C@@H](O)C2CC2)n1C ZINC000668166827 491117923 /nfs/dbraw/zinc/11/79/23/491117923.db2.gz JDQDTEYLCLWQRY-GFCCVEGCSA-N 2 2 223.320 0.931 20 0 BCADLP CCC[C@H](O)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000217747403 134249216 /nfs/dbraw/zinc/24/92/16/134249216.db2.gz HPDAOVWCJVAYIQ-UTUOFQBUSA-N 2 2 230.352 0.504 20 0 BCADLP NC(=O)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000037261978 358060806 /nfs/dbraw/zinc/06/08/06/358060806.db2.gz KXFFFKPELCIAPW-UHFFFAOYSA-N 2 2 248.330 0.515 20 0 BCADLP CCC1([NH+](C)C)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000640017271 358080482 /nfs/dbraw/zinc/08/04/82/358080482.db2.gz KBOKNBWRAKODAG-JTQLQIEISA-N 2 2 227.352 0.666 20 0 BCADLP C[C@H]1C[C@@H]1C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640065695 358153807 /nfs/dbraw/zinc/15/38/07/358153807.db2.gz ZSRIVVNBRVZYDB-NWDGAFQWSA-N 2 2 239.363 0.348 20 0 BCADLP C[C@H]1C[C@H]1C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640065696 358153988 /nfs/dbraw/zinc/15/39/88/358153988.db2.gz ZSRIVVNBRVZYDB-RYUDHWBXSA-N 2 2 239.363 0.348 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H](C)[C@@H](C)CO)n1C ZINC000584733027 358165041 /nfs/dbraw/zinc/16/50/41/358165041.db2.gz WDWMMEKAHXYLLW-IUCAKERBSA-N 2 2 211.309 0.835 20 0 BCADLP C[C@@H]1CCN(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000584783015 358176677 /nfs/dbraw/zinc/17/66/77/358176677.db2.gz IOLPGLMWEAXVNW-MNOVXSKESA-N 2 2 240.351 0.023 20 0 BCADLP NC(=O)c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000050243060 181295552 /nfs/dbraw/zinc/29/55/52/181295552.db2.gz SKCFHUQZJAFHIA-NSHDSACASA-N 2 2 219.288 0.319 20 0 BCADLP NC(=O)c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000050243060 181295553 /nfs/dbraw/zinc/29/55/53/181295553.db2.gz SKCFHUQZJAFHIA-NSHDSACASA-N 2 2 219.288 0.319 20 0 BCADLP C[NH2+]C[C@@H](C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000086067176 358200753 /nfs/dbraw/zinc/20/07/53/358200753.db2.gz QMVVRFDIEMONBA-SECBINFHSA-N 2 2 224.308 0.234 20 0 BCADLP Cn1cc[nH+]c1[C@H](NC(=O)C[NH3+])c1ccccc1 ZINC000040428829 358235888 /nfs/dbraw/zinc/23/58/88/358235888.db2.gz RSEKQGATUPXARX-GFCCVEGCSA-N 2 2 244.298 0.584 20 0 BCADLP NC(=O)c1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000035046159 181296296 /nfs/dbraw/zinc/29/62/96/181296296.db2.gz AXRAKXVQVNBLPK-UHFFFAOYSA-N 2 2 247.342 0.971 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)n1C ZINC000578207179 366392197 /nfs/dbraw/zinc/39/21/97/366392197.db2.gz NCSHQKSEEOLAJW-SKDRFNHKSA-N 2 2 239.319 0.358 20 0 BCADLP COc1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000226615450 358342058 /nfs/dbraw/zinc/34/20/58/358342058.db2.gz GIQJPCVNNFYQPU-ZDUSSCGKSA-N 2 2 249.358 0.770 20 0 BCADLP COc1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000226615450 358342059 /nfs/dbraw/zinc/34/20/59/358342059.db2.gz GIQJPCVNNFYQPU-ZDUSSCGKSA-N 2 2 249.358 0.770 20 0 BCADLP C[N@@H+]1CCN(Cc2cncs2)[C@@H](C[NH3+])C1 ZINC000226770265 358343658 /nfs/dbraw/zinc/34/36/58/358343658.db2.gz XRAYXKLLQPCMCN-VIFPVBQESA-N 2 2 226.349 0.218 20 0 BCADLP C[N@H+]1CCN(Cc2cncs2)[C@@H](C[NH3+])C1 ZINC000226770265 358343659 /nfs/dbraw/zinc/34/36/59/358343659.db2.gz XRAYXKLLQPCMCN-VIFPVBQESA-N 2 2 226.349 0.218 20 0 BCADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCS(C)(=O)=O ZINC000133246230 358749098 /nfs/dbraw/zinc/74/90/98/358749098.db2.gz FSJHSJSCZGRDRE-QWRGUYRKSA-N 2 2 248.392 0.351 20 0 BCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCS(C)(=O)=O ZINC000133246230 358749099 /nfs/dbraw/zinc/74/90/99/358749099.db2.gz FSJHSJSCZGRDRE-QWRGUYRKSA-N 2 2 248.392 0.351 20 0 BCADLP CC(C)NC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000133303662 358750911 /nfs/dbraw/zinc/75/09/11/358750911.db2.gz DVDYOTPJEKKBNE-NSHDSACASA-N 2 2 229.368 0.816 20 0 BCADLP CC(C)NC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000133303662 358750914 /nfs/dbraw/zinc/75/09/14/358750914.db2.gz DVDYOTPJEKKBNE-NSHDSACASA-N 2 2 229.368 0.816 20 0 BCADLP C[NH2+]C[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC000132634032 358730381 /nfs/dbraw/zinc/73/03/81/358730381.db2.gz ZDMBCAVJAPEKPH-SNVBAGLBSA-N 2 2 224.308 0.245 20 0 BCADLP COC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000176018101 134290152 /nfs/dbraw/zinc/29/01/52/134290152.db2.gz DWYSWQIIEZHKRI-QWHCGFSZSA-N 2 2 244.379 0.968 20 0 BCADLP NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000134860284 358808826 /nfs/dbraw/zinc/80/88/26/358808826.db2.gz IWKRNLBKSBHNAT-JQWIXIFHSA-N 2 2 237.347 0.420 20 0 BCADLP NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000134860284 358808830 /nfs/dbraw/zinc/80/88/30/358808830.db2.gz IWKRNLBKSBHNAT-JQWIXIFHSA-N 2 2 237.347 0.420 20 0 BCADLP NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000134860284 358808837 /nfs/dbraw/zinc/80/88/37/358808837.db2.gz IWKRNLBKSBHNAT-JQWIXIFHSA-N 2 2 237.347 0.420 20 0 BCADLP C[C@@H](C[NH2+]Cc1cnnn1C)C[NH+]1CCCC1 ZINC000135856144 358851591 /nfs/dbraw/zinc/85/15/91/358851591.db2.gz ZDFJYSXFTODQAC-NSHDSACASA-N 2 2 237.351 0.637 20 0 BCADLP CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000058970692 358916418 /nfs/dbraw/zinc/91/64/18/358916418.db2.gz DEXGXBBNDZERDK-UHFFFAOYSA-N 2 2 227.352 0.491 20 0 BCADLP CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000058970692 358916421 /nfs/dbraw/zinc/91/64/21/358916421.db2.gz DEXGXBBNDZERDK-UHFFFAOYSA-N 2 2 227.352 0.491 20 0 BCADLP CCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000058970686 358916505 /nfs/dbraw/zinc/91/65/05/358916505.db2.gz HITWRNBYEHYEOD-UHFFFAOYSA-N 2 2 241.379 0.881 20 0 BCADLP CCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000058970686 358916507 /nfs/dbraw/zinc/91/65/07/358916507.db2.gz HITWRNBYEHYEOD-UHFFFAOYSA-N 2 2 241.379 0.881 20 0 BCADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC000054860459 358876920 /nfs/dbraw/zinc/87/69/20/358876920.db2.gz UDSBDPWYRLPCQK-JTQLQIEISA-N 2 2 223.324 0.247 20 0 BCADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC000054860459 358876925 /nfs/dbraw/zinc/87/69/25/358876925.db2.gz UDSBDPWYRLPCQK-JTQLQIEISA-N 2 2 223.324 0.247 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cn(C)nn1 ZINC000054860383 358877025 /nfs/dbraw/zinc/87/70/25/358877025.db2.gz XAGCEUWWZNEMMP-VIFPVBQESA-N 2 2 220.280 0.190 20 0 BCADLP Cc1nccc(N2CC[NH+](CCC[NH3+])CC2)n1 ZINC000054935411 358878150 /nfs/dbraw/zinc/87/81/50/358878150.db2.gz LKRITCCSUABROA-UHFFFAOYSA-N 2 2 235.335 0.256 20 0 BCADLP C[NH+](C)CCNC(=O)CCCn1cc[nH+]c1 ZINC000105315283 358894852 /nfs/dbraw/zinc/89/48/52/358894852.db2.gz YGYLLUWJXBAFLP-UHFFFAOYSA-N 2 2 224.308 0.341 20 0 BCADLP C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000086402725 358966998 /nfs/dbraw/zinc/96/69/98/358966998.db2.gz OATUVQZPPOPFEH-CMPLNLGQSA-N 3 2 211.353 0.940 20 0 BCADLP [NH3+][C@@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000086403540 358967663 /nfs/dbraw/zinc/96/76/63/358967663.db2.gz KNBMMQXWCDCQTK-MNOVXSKESA-N 3 2 208.309 0.743 20 0 BCADLP C[NH2+][C@@H](C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000578337276 366526259 /nfs/dbraw/zinc/52/62/59/366526259.db2.gz BGXIESZDTKKWHZ-VIFPVBQESA-N 2 2 236.319 0.372 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccnn2C)n1C ZINC000070144236 359043012 /nfs/dbraw/zinc/04/30/12/359043012.db2.gz GBBJVMYKHCOBMG-UHFFFAOYSA-N 2 2 248.334 0.509 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)CCn1cc[nH+]c1 ZINC000070980381 359069027 /nfs/dbraw/zinc/06/90/27/359069027.db2.gz PJGAZGWJSVEZKK-UHFFFAOYSA-N 2 2 233.275 0.655 20 0 BCADLP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246421319 359079490 /nfs/dbraw/zinc/07/94/90/359079490.db2.gz SZZKHKNYSKHJFB-RYUDHWBXSA-N 2 2 241.379 0.785 20 0 BCADLP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246421319 359079491 /nfs/dbraw/zinc/07/94/91/359079491.db2.gz SZZKHKNYSKHJFB-RYUDHWBXSA-N 2 2 241.379 0.785 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072858319 359091115 /nfs/dbraw/zinc/09/11/15/359091115.db2.gz CLRAZHWDGWTNLS-GFCCVEGCSA-N 2 2 241.379 0.786 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072858319 359091117 /nfs/dbraw/zinc/09/11/17/359091117.db2.gz CLRAZHWDGWTNLS-GFCCVEGCSA-N 2 2 241.379 0.786 20 0 BCADLP CCCNC(=O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000072858319 359091121 /nfs/dbraw/zinc/09/11/21/359091121.db2.gz CLRAZHWDGWTNLS-GFCCVEGCSA-N 2 2 241.379 0.786 20 0 BCADLP CCCNC(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000072858319 359091124 /nfs/dbraw/zinc/09/11/24/359091124.db2.gz CLRAZHWDGWTNLS-GFCCVEGCSA-N 2 2 241.379 0.786 20 0 BCADLP CC[NH+](CC)CCNC(=O)Cc1c[nH+]cn1C ZINC000548191708 325440308 /nfs/dbraw/zinc/44/03/08/325440308.db2.gz ZHMGCEMFXUUCLK-UHFFFAOYSA-N 2 2 238.335 0.421 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000070800182 359064203 /nfs/dbraw/zinc/06/42/03/359064203.db2.gz SNMLAIUXGYPEIK-NSHDSACASA-N 2 2 227.352 0.444 20 0 BCADLP CCCCNC(=O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000070800182 359064205 /nfs/dbraw/zinc/06/42/05/359064205.db2.gz SNMLAIUXGYPEIK-NSHDSACASA-N 2 2 227.352 0.444 20 0 BCADLP CC(C)[C@H](C[NH3+])C(=O)NCc1[nH+]ccn1C ZINC000070854601 359065017 /nfs/dbraw/zinc/06/50/17/359065017.db2.gz QLJGTYIZPVYVCA-VIFPVBQESA-N 2 2 224.308 0.267 20 0 BCADLP NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246522760 359143743 /nfs/dbraw/zinc/14/37/43/359143743.db2.gz IWKRNLBKSBHNAT-ZYHUDNBSSA-N 2 2 237.347 0.420 20 0 BCADLP NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246522760 359143752 /nfs/dbraw/zinc/14/37/52/359143752.db2.gz IWKRNLBKSBHNAT-ZYHUDNBSSA-N 2 2 237.347 0.420 20 0 BCADLP NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246522760 359143755 /nfs/dbraw/zinc/14/37/55/359143755.db2.gz IWKRNLBKSBHNAT-ZYHUDNBSSA-N 2 2 237.347 0.420 20 0 BCADLP C[C@@H](C(N)=O)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247534497 359231348 /nfs/dbraw/zinc/23/13/48/359231348.db2.gz OOFTWFZKHBHXLZ-WDEREUQCSA-N 2 2 227.352 0.666 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247534497 359231354 /nfs/dbraw/zinc/23/13/54/359231354.db2.gz OOFTWFZKHBHXLZ-WDEREUQCSA-N 2 2 227.352 0.666 20 0 BCADLP C[C@@H](C(N)=O)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247534497 359231359 /nfs/dbraw/zinc/23/13/59/359231359.db2.gz OOFTWFZKHBHXLZ-WDEREUQCSA-N 2 2 227.352 0.666 20 0 BCADLP C[C@@H](C(N)=O)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247534497 359231361 /nfs/dbraw/zinc/23/13/61/359231361.db2.gz OOFTWFZKHBHXLZ-WDEREUQCSA-N 2 2 227.352 0.666 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000247706343 359242164 /nfs/dbraw/zinc/24/21/64/359242164.db2.gz ZAIGCXGOFDWLRO-NWDGAFQWSA-N 2 2 241.379 0.914 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000247706343 359242166 /nfs/dbraw/zinc/24/21/66/359242166.db2.gz ZAIGCXGOFDWLRO-NWDGAFQWSA-N 2 2 241.379 0.914 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076003800 359264177 /nfs/dbraw/zinc/26/41/77/359264177.db2.gz ZAIGCXGOFDWLRO-VXGBXAGGSA-N 2 2 241.379 0.914 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076003800 359264180 /nfs/dbraw/zinc/26/41/80/359264180.db2.gz ZAIGCXGOFDWLRO-VXGBXAGGSA-N 2 2 241.379 0.914 20 0 BCADLP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000580431309 359542813 /nfs/dbraw/zinc/54/28/13/359542813.db2.gz ITYNYLMWEJBFJX-MNOVXSKESA-N 3 2 213.369 0.949 20 0 BCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC000580480979 359577327 /nfs/dbraw/zinc/57/73/27/359577327.db2.gz XCXZUGJEZOXFOK-NEPJUHHUSA-N 2 2 248.330 0.436 20 0 BCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC000580480979 359577330 /nfs/dbraw/zinc/57/73/30/359577330.db2.gz XCXZUGJEZOXFOK-NEPJUHHUSA-N 2 2 248.330 0.436 20 0 BCADLP CC(C)OC1CC([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000628498659 359711017 /nfs/dbraw/zinc/71/10/17/359711017.db2.gz SOHZSRXQQXLQNQ-CPCZMJQVSA-N 2 2 242.363 0.599 20 0 BCADLP CC(C)OC1CC([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000628498659 359711021 /nfs/dbraw/zinc/71/10/21/359711021.db2.gz SOHZSRXQQXLQNQ-CPCZMJQVSA-N 2 2 242.363 0.599 20 0 BCADLP CC(=O)[C@@](C)(O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000450904036 202306684 /nfs/dbraw/zinc/30/66/84/202306684.db2.gz MGRYTUHDIDVJOF-ZDUSSCGKSA-N 2 2 242.363 0.744 20 0 BCADLP CC(=O)[C@@](C)(O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000450904036 202306687 /nfs/dbraw/zinc/30/66/87/202306687.db2.gz MGRYTUHDIDVJOF-ZDUSSCGKSA-N 2 2 242.363 0.744 20 0 BCADLP COC[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309118630 491145116 /nfs/dbraw/zinc/14/51/16/491145116.db2.gz SBLGEVYNVASZBA-GXSJLCMTSA-N 2 2 216.325 0.066 20 0 BCADLP COC[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309118630 491145117 /nfs/dbraw/zinc/14/51/17/491145117.db2.gz SBLGEVYNVASZBA-GXSJLCMTSA-N 2 2 216.325 0.066 20 0 BCADLP C[C@@H]1CC[N@H+](CC(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000578547176 366597717 /nfs/dbraw/zinc/59/77/17/366597717.db2.gz XLQUOEBRKNKJPU-SNVBAGLBSA-N 2 2 236.319 0.410 20 0 BCADLP C[C@@H]1CC[N@@H+](CC(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000578547176 366597719 /nfs/dbraw/zinc/59/77/19/366597719.db2.gz XLQUOEBRKNKJPU-SNVBAGLBSA-N 2 2 236.319 0.410 20 0 BCADLP C[C@@H]1CN(c2nc[nH+]c(N)c2Cl)CC[C@@H]1[NH3+] ZINC000578610673 366607672 /nfs/dbraw/zinc/60/76/72/366607672.db2.gz RMCFKVMLTZQQPI-RQJHMYQMSA-N 2 2 241.726 0.886 20 0 BCADLP C[C@@H]1CN(c2[nH+]cnc(N)c2Cl)CC[C@@H]1[NH3+] ZINC000578610673 366607678 /nfs/dbraw/zinc/60/76/78/366607678.db2.gz RMCFKVMLTZQQPI-RQJHMYQMSA-N 2 2 241.726 0.886 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000578617010 366608955 /nfs/dbraw/zinc/60/89/55/366608955.db2.gz HYOOUIUCQDUYOS-FRRDWIJNSA-N 3 2 225.380 0.916 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000578617010 366608959 /nfs/dbraw/zinc/60/89/59/366608959.db2.gz HYOOUIUCQDUYOS-FRRDWIJNSA-N 3 2 225.380 0.916 20 0 BCADLP Cc1ccc(Cn2nnnc2C[NH3+])c(C)[nH+]1 ZINC000578864550 366660548 /nfs/dbraw/zinc/66/05/48/366660548.db2.gz MNLOIDZIQIGHLF-UHFFFAOYSA-N 2 2 218.264 0.192 20 0 BCADLP O=C(NCC[NH+]1CCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612844586 360107250 /nfs/dbraw/zinc/10/72/50/360107250.db2.gz UEQMSPKDKFUXMN-JTQLQIEISA-N 2 2 248.330 0.337 20 0 BCADLP O=C(NCC[NH+]1CCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612844586 360107252 /nfs/dbraw/zinc/10/72/52/360107252.db2.gz UEQMSPKDKFUXMN-JTQLQIEISA-N 2 2 248.330 0.337 20 0 BCADLP CNC(=O)CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000095428222 360337213 /nfs/dbraw/zinc/33/72/13/360337213.db2.gz STZFYGUCVHXJNW-GFCCVEGCSA-N 2 2 249.314 0.671 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2C[C@@H](CO)C2)n1C ZINC000631196785 360703647 /nfs/dbraw/zinc/70/36/47/360703647.db2.gz ANOCOPDSTKLESX-AOOOYVTPSA-N 2 2 238.335 0.347 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000414929601 200783372 /nfs/dbraw/zinc/78/33/72/200783372.db2.gz OGMKNKJTNWSXKH-GWCFXTLKSA-N 2 2 247.342 0.873 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@@H]1CC[NH2+][C@H]1C ZINC000629381731 361034238 /nfs/dbraw/zinc/03/42/38/361034238.db2.gz XSXXJKKSZYRMDY-NKWVEPMBSA-N 2 2 223.280 0.230 20 0 BCADLP Cc1noc(C)c1C[NH2+]CC1([NH3+])CCOCC1 ZINC000629387236 361038835 /nfs/dbraw/zinc/03/88/35/361038835.db2.gz GGOMLZZTXFQCHB-UHFFFAOYSA-N 2 2 239.319 0.889 20 0 BCADLP C[C@@H]1CC[C@H]([NH2+]Cc2cnc(N(C)C)nc2)C[NH2+]1 ZINC000629395440 361042866 /nfs/dbraw/zinc/04/28/66/361042866.db2.gz CWQCSNJDGKVETQ-PWSUYJOCSA-N 2 2 249.362 0.773 20 0 BCADLP C[C@H]1CC[C@@H]([NH2+]Cc2cnc(N(C)C)nc2)C[NH2+]1 ZINC000629395437 361042955 /nfs/dbraw/zinc/04/29/55/361042955.db2.gz CWQCSNJDGKVETQ-CMPLNLGQSA-N 2 2 249.362 0.773 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCOCCC[NH3+])C[N@@H+]1C1CC1 ZINC000629401592 361051704 /nfs/dbraw/zinc/05/17/04/361051704.db2.gz TXFQOLYWJWRCEJ-VXGBXAGGSA-N 3 2 241.379 0.567 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCOCCC[NH3+])C[N@H+]1C1CC1 ZINC000629401592 361051707 /nfs/dbraw/zinc/05/17/07/361051707.db2.gz TXFQOLYWJWRCEJ-VXGBXAGGSA-N 3 2 241.379 0.567 20 0 BCADLP C[NH2+]CCOCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000629401446 361051824 /nfs/dbraw/zinc/05/18/24/361051824.db2.gz AQTSKNQNMUIGEY-YPMHNXCESA-N 3 2 241.379 0.295 20 0 BCADLP C[NH2+]CCOCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000629401446 361051826 /nfs/dbraw/zinc/05/18/26/361051826.db2.gz AQTSKNQNMUIGEY-YPMHNXCESA-N 3 2 241.379 0.295 20 0 BCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000629518599 361118885 /nfs/dbraw/zinc/11/88/85/361118885.db2.gz KSBHOVBJJSVUPT-ZDUSSCGKSA-N 2 2 249.362 0.792 20 0 BCADLP CCn1nnc(C)c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000629518599 361118888 /nfs/dbraw/zinc/11/88/88/361118888.db2.gz KSBHOVBJJSVUPT-ZDUSSCGKSA-N 2 2 249.362 0.792 20 0 BCADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629519050 361119036 /nfs/dbraw/zinc/11/90/36/361119036.db2.gz DTWDBJXQEAXOHI-RYUDHWBXSA-N 3 2 241.379 0.744 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC000629509531 361103342 /nfs/dbraw/zinc/10/33/42/361103342.db2.gz BIIIXGXZUVEMTE-NSHDSACASA-N 2 2 241.379 0.690 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC000629509531 361103345 /nfs/dbraw/zinc/10/33/45/361103345.db2.gz BIIIXGXZUVEMTE-NSHDSACASA-N 2 2 241.379 0.690 20 0 BCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000629510257 361107520 /nfs/dbraw/zinc/10/75/20/361107520.db2.gz OWYKQFMGJBSLTF-KOLCDFICSA-N 2 2 237.351 0.776 20 0 BCADLP CCn1nnc(C)c1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000629510257 361107525 /nfs/dbraw/zinc/10/75/25/361107525.db2.gz OWYKQFMGJBSLTF-KOLCDFICSA-N 2 2 237.351 0.776 20 0 BCADLP CCn1nnc(C)c1C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000629512830 361107868 /nfs/dbraw/zinc/10/78/68/361107868.db2.gz CKTKDVRGWJZJDS-GFCCVEGCSA-N 2 2 237.351 0.823 20 0 BCADLP COc1cncc(C[NH2+][C@](C)(C[NH3+])C(C)C)n1 ZINC000629514030 361110861 /nfs/dbraw/zinc/11/08/61/361110861.db2.gz JSUXPTDFFUJROI-GFCCVEGCSA-N 2 2 238.335 0.948 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cncc(OC)n2)C1 ZINC000629513586 361111492 /nfs/dbraw/zinc/11/14/92/361111492.db2.gz YZBDFYXWEQYKHM-SNVBAGLBSA-N 2 2 236.319 0.527 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cncc(OC)n2)C1 ZINC000629513586 361111496 /nfs/dbraw/zinc/11/14/96/361111496.db2.gz YZBDFYXWEQYKHM-SNVBAGLBSA-N 2 2 236.319 0.527 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000629528307 361134802 /nfs/dbraw/zinc/13/48/02/361134802.db2.gz WBSDWJOJBXEXBT-NNYUYHANSA-N 3 2 211.353 0.844 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1COCCN1C)[C@H]1CCCC[NH2+]1 ZINC000629532888 361155289 /nfs/dbraw/zinc/15/52/89/361155289.db2.gz XCRYUSCMWOXHGA-YNEHKIRRSA-N 2 2 241.379 0.437 20 0 BCADLP COC(=O)c1coc(C[NH2+][C@H](C)[C@H](C)[NH3+])c1 ZINC000415007912 219887020 /nfs/dbraw/zinc/88/70/20/219887020.db2.gz DKBAESZNPHGNFB-JGVFFNPUSA-N 2 2 226.276 0.892 20 0 BCADLP Cn1cncc1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000578991388 366688946 /nfs/dbraw/zinc/68/89/46/366688946.db2.gz APGBXTGRUPXSRG-SNVBAGLBSA-N 2 2 210.325 0.883 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640477999 361253987 /nfs/dbraw/zinc/25/39/87/361253987.db2.gz ALQYSXSNZTWBNU-QWRGUYRKSA-N 2 2 207.277 0.258 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640477999 361253991 /nfs/dbraw/zinc/25/39/91/361253991.db2.gz ALQYSXSNZTWBNU-QWRGUYRKSA-N 2 2 207.277 0.258 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)n1C ZINC000579130152 366720929 /nfs/dbraw/zinc/72/09/29/366720929.db2.gz NHQXLIUKUWFHON-LDYMZIIASA-N 2 2 236.319 0.343 20 0 BCADLP C[C@H]1C[N@H+](CCCc2c[nH+]cn2C)CC(=O)N1 ZINC000579021929 366698776 /nfs/dbraw/zinc/69/87/76/366698776.db2.gz LBESSWGIFXVNGR-JTQLQIEISA-N 2 2 236.319 0.173 20 0 BCADLP C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)CC(=O)N1 ZINC000579021929 366698780 /nfs/dbraw/zinc/69/87/80/366698780.db2.gz LBESSWGIFXVNGR-JTQLQIEISA-N 2 2 236.319 0.173 20 0 BCADLP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000622044967 370674125 /nfs/dbraw/zinc/67/41/25/370674125.db2.gz YXDBVQKZFGSQQC-IUCAKERBSA-N 3 2 208.309 0.882 20 0 BCADLP C[NH+](C)C1(C(=O)NCC[N@H+]2CC=CCC2)CC1 ZINC000614260646 363773644 /nfs/dbraw/zinc/77/36/44/363773644.db2.gz YLJFROALCDIKAY-UHFFFAOYSA-N 2 2 237.347 0.459 20 0 BCADLP C[NH+](C)C1(C(=O)NCC[N@@H+]2CC=CCC2)CC1 ZINC000614260646 363773647 /nfs/dbraw/zinc/77/36/47/363773647.db2.gz YLJFROALCDIKAY-UHFFFAOYSA-N 2 2 237.347 0.459 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@@](C)(O)C[NH2+]C)C[C@@H](C)O1 ZINC000579250718 366745908 /nfs/dbraw/zinc/74/59/08/366745908.db2.gz PTMKSKNCNIJBPG-UTUOFQBUSA-N 2 2 230.352 0.456 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@@](C)(O)C[NH2+]C)C[C@@H](C)O1 ZINC000579250718 366745914 /nfs/dbraw/zinc/74/59/14/366745914.db2.gz PTMKSKNCNIJBPG-UTUOFQBUSA-N 2 2 230.352 0.456 20 0 BCADLP COc1cncc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)n1 ZINC000629539295 361404633 /nfs/dbraw/zinc/40/46/33/361404633.db2.gz ZWTLDVWZSYKZGA-JTQLQIEISA-N 2 2 238.335 0.948 20 0 BCADLP C[C@H]([NH2+]CCOCCC[NH3+])[C@@H]1CCCC[NH2+]1 ZINC000629536266 361398650 /nfs/dbraw/zinc/39/86/50/361398650.db2.gz FTYLBYBJFSKZPF-RYUDHWBXSA-N 3 2 229.368 0.472 20 0 BCADLP C[C@@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629540267 361398666 /nfs/dbraw/zinc/39/86/66/361398666.db2.gz OGMGCGJSBFGVKY-UJPOAAIJSA-N 3 2 241.379 0.469 20 0 BCADLP CC[C@H]1CC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000429291763 201095383 /nfs/dbraw/zinc/09/53/83/201095383.db2.gz JFPOQPBWPOUISP-JQWIXIFHSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@H]1CC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000429291763 201095386 /nfs/dbraw/zinc/09/53/86/201095386.db2.gz JFPOQPBWPOUISP-JQWIXIFHSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@H]1CC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000429291763 201095388 /nfs/dbraw/zinc/09/53/88/201095388.db2.gz JFPOQPBWPOUISP-JQWIXIFHSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@H]1CC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000429291763 201095391 /nfs/dbraw/zinc/09/53/91/201095391.db2.gz JFPOQPBWPOUISP-JQWIXIFHSA-N 2 2 212.337 0.926 20 0 BCADLP C[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1[nH+]ccn1C ZINC000629544923 361424437 /nfs/dbraw/zinc/42/44/37/361424437.db2.gz NVVJDEVNDIRUJH-LPEHRKFASA-N 2 2 208.309 0.821 20 0 BCADLP CO[C@H]1C[C@@H](C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000629554702 361436625 /nfs/dbraw/zinc/43/66/25/361436625.db2.gz NZOWVVJLISPXJV-ZDEQEGDKSA-N 2 2 242.363 0.768 20 0 BCADLP COCCC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000629553158 361438073 /nfs/dbraw/zinc/43/80/73/361438073.db2.gz VCRXGJGFDNTTJQ-CYBMUJFWSA-N 2 2 242.363 0.723 20 0 BCADLP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C2)c2[nH+]ccn21 ZINC000629553570 361438645 /nfs/dbraw/zinc/43/86/45/361438645.db2.gz AECISWNCDHWWJX-BBBLOLIVSA-N 2 2 206.293 0.840 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCN(C)CC(F)F ZINC000629556787 361445216 /nfs/dbraw/zinc/44/52/16/361445216.db2.gz YOAQWAUYJHVOMD-UWVGGRQHSA-N 2 2 235.322 0.771 20 0 BCADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C[NH2+]1 ZINC000629542014 361418217 /nfs/dbraw/zinc/41/82/17/361418217.db2.gz WRZRIRZSOWQVPQ-RHYQMDGZSA-N 3 2 211.353 0.986 20 0 BCADLP Nc1ncccc1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000629542199 361418522 /nfs/dbraw/zinc/41/85/22/361418522.db2.gz ZVTUZMPBBSWFFJ-LLVKDONJSA-N 2 2 236.319 0.213 20 0 BCADLP Nc1ncccc1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000629542199 361418523 /nfs/dbraw/zinc/41/85/23/361418523.db2.gz ZVTUZMPBBSWFFJ-LLVKDONJSA-N 2 2 236.319 0.213 20 0 BCADLP C[NH2+]CCOCC[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000629568415 361460258 /nfs/dbraw/zinc/46/02/58/361460258.db2.gz KBMZPVHFLZZZRW-SECBINFHSA-N 2 2 242.323 0.607 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000629568415 361460262 /nfs/dbraw/zinc/46/02/62/361460262.db2.gz KBMZPVHFLZZZRW-SECBINFHSA-N 2 2 242.323 0.607 20 0 BCADLP Cc1nc(C[N@H+](C)CCOCC[NH3+])co1 ZINC000629580391 361465975 /nfs/dbraw/zinc/46/59/75/361465975.db2.gz AIKTYGSBBQKSPD-UHFFFAOYSA-N 2 2 213.281 0.390 20 0 BCADLP Cc1nc(C[N@@H+](C)CCOCC[NH3+])co1 ZINC000629580391 361465977 /nfs/dbraw/zinc/46/59/77/361465977.db2.gz AIKTYGSBBQKSPD-UHFFFAOYSA-N 2 2 213.281 0.390 20 0 BCADLP O=c1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)n[nH]1 ZINC000629580408 361466356 /nfs/dbraw/zinc/46/63/56/361466356.db2.gz AUIKOSCVFUAZIF-PWSUYJOCSA-N 2 2 248.330 0.929 20 0 BCADLP O=c1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)n[nH]1 ZINC000629580408 361466361 /nfs/dbraw/zinc/46/63/61/361466361.db2.gz AUIKOSCVFUAZIF-PWSUYJOCSA-N 2 2 248.330 0.929 20 0 BCADLP C[C@H](C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1)CS(C)(=O)=O ZINC000430942678 201159314 /nfs/dbraw/zinc/15/93/14/201159314.db2.gz DHJCLQGWNSCMEF-VWYCJHECSA-N 2 2 248.392 0.336 20 0 BCADLP C[C@H](C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1)CS(C)(=O)=O ZINC000430942678 201159317 /nfs/dbraw/zinc/15/93/17/201159317.db2.gz DHJCLQGWNSCMEF-VWYCJHECSA-N 2 2 248.392 0.336 20 0 BCADLP Cc1nnc([C@@H](C)[N@H+](C)CCOCC[NH3+])[nH]1 ZINC000629581029 361471074 /nfs/dbraw/zinc/47/10/74/361471074.db2.gz KFYTWHAFEHDIMH-MRVPVSSYSA-N 2 2 227.312 0.081 20 0 BCADLP Cc1nnc([C@@H](C)[N@@H+](C)CCOCC[NH3+])[nH]1 ZINC000629581029 361471081 /nfs/dbraw/zinc/47/10/81/361471081.db2.gz KFYTWHAFEHDIMH-MRVPVSSYSA-N 2 2 227.312 0.081 20 0 BCADLP COC[C@]1(C)C[N@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000629595181 361481639 /nfs/dbraw/zinc/48/16/39/361481639.db2.gz KRYJKIYMYXGQRT-STQMWFEESA-N 2 2 242.363 0.723 20 0 BCADLP COC[C@]1(C)C[N@@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000629595181 361481643 /nfs/dbraw/zinc/48/16/43/361481643.db2.gz KRYJKIYMYXGQRT-STQMWFEESA-N 2 2 242.363 0.723 20 0 BCADLP COC[C@@]1(C)C[N@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000629595178 361482129 /nfs/dbraw/zinc/48/21/29/361482129.db2.gz KRYJKIYMYXGQRT-CHWSQXEVSA-N 2 2 242.363 0.723 20 0 BCADLP COC[C@@]1(C)C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000629595178 361482134 /nfs/dbraw/zinc/48/21/34/361482134.db2.gz KRYJKIYMYXGQRT-CHWSQXEVSA-N 2 2 242.363 0.723 20 0 BCADLP CC(=O)NC[C@@H]1CCCC[N@H+]1C[C@H](C)[NH3+] ZINC000629595146 361482393 /nfs/dbraw/zinc/48/23/93/361482393.db2.gz JZQZZIYXNGUITM-ONGXEEELSA-N 2 2 213.325 0.324 20 0 BCADLP CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](C)[NH3+] ZINC000629595146 361482396 /nfs/dbraw/zinc/48/23/96/361482396.db2.gz JZQZZIYXNGUITM-ONGXEEELSA-N 2 2 213.325 0.324 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629595827 361483311 /nfs/dbraw/zinc/48/33/11/361483311.db2.gz RABGAQVIIOPCQE-RTXFEEFZSA-N 2 2 239.363 0.395 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629595827 361483314 /nfs/dbraw/zinc/48/33/14/361483314.db2.gz RABGAQVIIOPCQE-RTXFEEFZSA-N 2 2 239.363 0.395 20 0 BCADLP [NH3+]CCC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562992 361457043 /nfs/dbraw/zinc/45/70/43/361457043.db2.gz ORPYLSWOUMKNKN-BDAKNGLRSA-N 3 2 239.285 0.794 20 0 BCADLP [NH3+]CCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562992 361457046 /nfs/dbraw/zinc/45/70/46/361457046.db2.gz ORPYLSWOUMKNKN-BDAKNGLRSA-N 3 2 239.285 0.794 20 0 BCADLP Cn1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)c1 ZINC000629648436 361540653 /nfs/dbraw/zinc/54/06/53/361540653.db2.gz NMFLVZMGHHAWJN-LLVKDONJSA-N 2 2 209.293 0.103 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1=CCCOC1 ZINC000629649014 361543245 /nfs/dbraw/zinc/54/32/45/361543245.db2.gz DSFVDLXUCDVEAD-ZYHUDNBSSA-N 2 2 210.321 0.921 20 0 BCADLP [NH3+][C@@H]1C[N@H+](CC2=CCCOC2)CC[C@H]1F ZINC000629649492 361544829 /nfs/dbraw/zinc/54/48/29/361544829.db2.gz CKGXETVSSCBUFU-GHMZBOCLSA-N 2 2 214.284 0.704 20 0 BCADLP [NH3+][C@@H]1C[N@@H+](CC2=CCCOC2)CC[C@H]1F ZINC000629649492 361544834 /nfs/dbraw/zinc/54/48/34/361544834.db2.gz CKGXETVSSCBUFU-GHMZBOCLSA-N 2 2 214.284 0.704 20 0 BCADLP C[NH2+]CCOCC[N@H+](C)Cc1cn[nH]c1C ZINC000629653491 361553269 /nfs/dbraw/zinc/55/32/69/361553269.db2.gz OQMXQRSBZKOGCQ-UHFFFAOYSA-N 2 2 226.324 0.386 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)Cc1cn[nH]c1C ZINC000629653491 361553275 /nfs/dbraw/zinc/55/32/75/361553275.db2.gz OQMXQRSBZKOGCQ-UHFFFAOYSA-N 2 2 226.324 0.386 20 0 BCADLP C[C@]1(C[NH2+]CC2([NH3+])CCOCC2)CC[NH2+]C1 ZINC000629653519 361553284 /nfs/dbraw/zinc/55/32/84/361553284.db2.gz IQCUILBIUJMNAS-NSHDSACASA-N 3 2 227.352 0.084 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@H+](Cc2ccn(C)c2)CCO1 ZINC000629651280 361555486 /nfs/dbraw/zinc/55/54/86/361555486.db2.gz DZTFURPSGROZDB-CMPLNLGQSA-N 2 2 223.320 0.573 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@@H+](Cc2ccn(C)c2)CCO1 ZINC000629651280 361555493 /nfs/dbraw/zinc/55/54/93/361555493.db2.gz DZTFURPSGROZDB-CMPLNLGQSA-N 2 2 223.320 0.573 20 0 BCADLP C[C@@H]([NH3+])[C@H]1C[N@H+](Cc2ccn(C)c2)CCO1 ZINC000629651285 361556151 /nfs/dbraw/zinc/55/61/51/361556151.db2.gz DZTFURPSGROZDB-ZYHUDNBSSA-N 2 2 223.320 0.573 20 0 BCADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](Cc2ccn(C)c2)CCO1 ZINC000629651285 361556152 /nfs/dbraw/zinc/55/61/52/361556152.db2.gz DZTFURPSGROZDB-ZYHUDNBSSA-N 2 2 223.320 0.573 20 0 BCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@]13C[C@H]1C[NH2+]C3)C2 ZINC000629661095 361594390 /nfs/dbraw/zinc/59/43/90/361594390.db2.gz ASDKNIMEIQFFNQ-IGQOVBAYSA-N 3 2 235.375 0.527 20 0 BCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@]13C[C@H]1C[NH2+]C3)C2 ZINC000629661095 361594396 /nfs/dbraw/zinc/59/43/96/361594396.db2.gz ASDKNIMEIQFFNQ-IGQOVBAYSA-N 3 2 235.375 0.527 20 0 BCADLP Cn1cc[nH+]c1CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629668595 361588654 /nfs/dbraw/zinc/58/86/54/361588654.db2.gz YCVWABQFBZHFSL-BETUJISGSA-N 2 2 234.347 0.852 20 0 BCADLP CC[N@H+](CCC[NH2+]C)Cc1cnn(C)c1 ZINC000435881387 201292245 /nfs/dbraw/zinc/29/22/45/201292245.db2.gz AARIQMJBVOQHML-UHFFFAOYSA-N 2 2 210.325 0.852 20 0 BCADLP CC[N@@H+](CCC[NH2+]C)Cc1cnn(C)c1 ZINC000435881387 201292247 /nfs/dbraw/zinc/29/22/47/201292247.db2.gz AARIQMJBVOQHML-UHFFFAOYSA-N 2 2 210.325 0.852 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000435868909 201290450 /nfs/dbraw/zinc/29/04/50/201290450.db2.gz AIQBXMKJHKTYFX-VIFPVBQESA-N 2 2 240.269 0.985 20 0 BCADLP C[NH2+]CCC[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000435868909 201290453 /nfs/dbraw/zinc/29/04/53/201290453.db2.gz AIQBXMKJHKTYFX-VIFPVBQESA-N 2 2 240.269 0.985 20 0 BCADLP C[NH2+]CCCN1CC[NH+](Cc2ccccn2)CC1 ZINC000435886309 201296332 /nfs/dbraw/zinc/29/63/32/201296332.db2.gz VXSUMWKYPODQRQ-UHFFFAOYSA-N 2 2 248.374 0.809 20 0 BCADLP COCCC[N@H+](C)CC[NH2+]CC[C@@H]1CCOC1 ZINC000438188684 201396304 /nfs/dbraw/zinc/39/63/04/201396304.db2.gz KWNQZUGTZDCSCB-CYBMUJFWSA-N 2 2 244.379 0.971 20 0 BCADLP COCCC[N@@H+](C)CC[NH2+]CC[C@@H]1CCOC1 ZINC000438188684 201396306 /nfs/dbraw/zinc/39/63/06/201396306.db2.gz KWNQZUGTZDCSCB-CYBMUJFWSA-N 2 2 244.379 0.971 20 0 BCADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)c1[nH]cc[nH+]1 ZINC000615158223 364551457 /nfs/dbraw/zinc/55/14/57/364551457.db2.gz KXPUQJOBRSUCNH-VHSXEESVSA-N 2 2 236.319 0.929 20 0 BCADLP C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)c1[nH]cc[nH+]1 ZINC000615158223 364551469 /nfs/dbraw/zinc/55/14/69/364551469.db2.gz KXPUQJOBRSUCNH-VHSXEESVSA-N 2 2 236.319 0.929 20 0 BCADLP [NH3+]CCC[NH+]1CCN(CC(F)F)CC1 ZINC000037755639 364588617 /nfs/dbraw/zinc/58/86/17/364588617.db2.gz KOJSUROMEPNHNR-UHFFFAOYSA-N 2 2 207.268 0.218 20 0 BCADLP C[C@@H]1CC[N@H+](Cc2ccn(C)n2)C[C@@H]1C[NH3+] ZINC000167653227 364801933 /nfs/dbraw/zinc/80/19/33/364801933.db2.gz CXIULNXZDVJENK-MNOVXSKESA-N 2 2 222.336 0.837 20 0 BCADLP C[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C[C@@H]1C[NH3+] ZINC000167653227 364801935 /nfs/dbraw/zinc/80/19/35/364801935.db2.gz CXIULNXZDVJENK-MNOVXSKESA-N 2 2 222.336 0.837 20 0 BCADLP CCC1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653075245 487527981 /nfs/dbraw/zinc/52/79/81/487527981.db2.gz KUNFSFVAYVCMBD-LBPRGKRZSA-N 2 2 241.379 0.914 20 0 BCADLP [NH3+]CC(F)(F)CNCC1CC[NH2+]CC1 ZINC000573488671 364845380 /nfs/dbraw/zinc/84/53/80/364845380.db2.gz BUEGHFYANOPHHR-UHFFFAOYSA-N 2 2 207.268 0.170 20 0 BCADLP COCCCn1nccc1C[N@H+](C)CCC[NH3+] ZINC000573608645 364873822 /nfs/dbraw/zinc/87/38/22/364873822.db2.gz ZNKKIQRBOVASLO-UHFFFAOYSA-N 2 2 240.351 0.700 20 0 BCADLP COCCCn1nccc1C[N@@H+](C)CCC[NH3+] ZINC000573608645 364873825 /nfs/dbraw/zinc/87/38/25/364873825.db2.gz ZNKKIQRBOVASLO-UHFFFAOYSA-N 2 2 240.351 0.700 20 0 BCADLP C[C@H]1CN(c2cc(N3CCCC3)[nH+]cn2)C[C@H]1[NH3+] ZINC000573823874 364925569 /nfs/dbraw/zinc/92/55/69/364925569.db2.gz JGZFZLFRUOJBRV-WDEREUQCSA-N 2 2 247.346 0.860 20 0 BCADLP [NH3+]CCN1CC[NH+](Cc2ccccn2)CC1 ZINC000037039585 181391512 /nfs/dbraw/zinc/39/15/12/181391512.db2.gz ZYBXQCBQRMRPAW-UHFFFAOYSA-N 2 2 220.320 0.158 20 0 BCADLP C[NH2+]CC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000574327008 365037667 /nfs/dbraw/zinc/03/76/67/365037667.db2.gz NZBWXTZOUSDEOD-UHFFFAOYSA-N 2 2 236.319 0.397 20 0 BCADLP C[NH2+][C@H](C)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000574650498 365113043 /nfs/dbraw/zinc/11/30/43/365113043.db2.gz BEECTLUAAIYYNS-BDAKNGLRSA-N 2 2 224.308 0.831 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000574701990 365126458 /nfs/dbraw/zinc/12/64/58/365126458.db2.gz PYBJGCFCQMIEOL-UHFFFAOYSA-N 2 2 239.363 0.537 20 0 BCADLP O=C(C[NH2+]C1CC1)NCc1ccn2cc[nH+]c2c1 ZINC000574754910 365134915 /nfs/dbraw/zinc/13/49/15/365134915.db2.gz OUTNPNAJVBHQNI-UHFFFAOYSA-N 2 2 244.298 0.703 20 0 BCADLP C[C@H]1CC[N@H+](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC000575229879 365256738 /nfs/dbraw/zinc/25/67/38/365256738.db2.gz KEXZXDMRJWWZTC-NSHDSACASA-N 2 2 236.319 0.341 20 0 BCADLP C[C@H]1CC[N@@H+](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC000575229879 365256743 /nfs/dbraw/zinc/25/67/43/365256743.db2.gz KEXZXDMRJWWZTC-NSHDSACASA-N 2 2 236.319 0.341 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C1CCCC1 ZINC000379851428 365316359 /nfs/dbraw/zinc/31/63/59/365316359.db2.gz DVRJZIKESNRMPZ-CYBMUJFWSA-N 2 2 244.379 0.800 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CCCC1 ZINC000379851428 365316364 /nfs/dbraw/zinc/31/63/64/365316364.db2.gz DVRJZIKESNRMPZ-CYBMUJFWSA-N 2 2 244.379 0.800 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C1CCCC1 ZINC000379851428 365316367 /nfs/dbraw/zinc/31/63/67/365316367.db2.gz DVRJZIKESNRMPZ-CYBMUJFWSA-N 2 2 244.379 0.800 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CCCC1 ZINC000379851428 365316372 /nfs/dbraw/zinc/31/63/72/365316372.db2.gz DVRJZIKESNRMPZ-CYBMUJFWSA-N 2 2 244.379 0.800 20 0 BCADLP CC(C)[C@@H](NC(=O)C[NH2+]C1CC1)c1[nH]cc[nH+]1 ZINC000575801168 365366433 /nfs/dbraw/zinc/36/64/33/365366433.db2.gz ILPNRBUAGBQDRY-LLVKDONJSA-N 2 2 236.319 0.975 20 0 BCADLP Cc1cc(NC(=O)NCCCC[NH3+])c(C)c[nH+]1 ZINC000576130230 365497679 /nfs/dbraw/zinc/49/76/79/365497679.db2.gz KRRPLPGDAOHKKY-UHFFFAOYSA-N 2 2 236.319 0.981 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(C)nc1 ZINC000346262475 541468195 /nfs/dbraw/zinc/46/81/95/541468195.db2.gz ZSCVMNQXWNLVIB-UHFFFAOYSA-N 2 2 237.347 0.794 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(C)nc1 ZINC000346262475 541468197 /nfs/dbraw/zinc/46/81/97/541468197.db2.gz ZSCVMNQXWNLVIB-UHFFFAOYSA-N 2 2 237.347 0.794 20 0 BCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000352177783 541479965 /nfs/dbraw/zinc/47/99/65/541479965.db2.gz GBSFAHGQVGHOHW-LLVKDONJSA-N 2 2 248.330 0.695 20 0 BCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000352177783 541479969 /nfs/dbraw/zinc/47/99/69/541479969.db2.gz GBSFAHGQVGHOHW-LLVKDONJSA-N 2 2 248.330 0.695 20 0 BCADLP Cc1cc(NC(=O)N2CC[NH2+][C@@H](C)C2)c(C)c[nH+]1 ZINC000579688033 366980480 /nfs/dbraw/zinc/98/04/80/366980480.db2.gz RFFGJEHWTWWKEP-NSHDSACASA-N 2 2 248.330 0.946 20 0 BCADLP Cc1[nH+]ccn1CC(=O)N(C)Cc1[nH+]ccn1C ZINC000622283856 370818468 /nfs/dbraw/zinc/81/84/68/370818468.db2.gz FBAJUDDBSSNAJS-UHFFFAOYSA-N 2 2 247.302 0.584 20 0 BCADLP C[C@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)Cn1cc[nH+]c1 ZINC000581075051 367255023 /nfs/dbraw/zinc/25/50/23/367255023.db2.gz UVKXTZICSJWQAG-WZRBSPASSA-N 2 2 248.330 0.387 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581076394 367255095 /nfs/dbraw/zinc/25/50/95/367255095.db2.gz FHELIFQAHBLMCQ-OUAUKWLOSA-N 2 2 216.325 0.066 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581076394 367255102 /nfs/dbraw/zinc/25/51/02/367255102.db2.gz FHELIFQAHBLMCQ-OUAUKWLOSA-N 2 2 216.325 0.066 20 0 BCADLP C[NH2+]C[C@H](C)CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000581202810 367295416 /nfs/dbraw/zinc/29/54/16/367295416.db2.gz VYEBDYATZZBSID-VIFPVBQESA-N 2 2 239.323 0.407 20 0 BCADLP C[NH2+]C[C@H](C)CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000581202810 367295419 /nfs/dbraw/zinc/29/54/19/367295419.db2.gz VYEBDYATZZBSID-VIFPVBQESA-N 2 2 239.323 0.407 20 0 BCADLP C[NH2+]CC[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000382191409 367495815 /nfs/dbraw/zinc/49/58/15/367495815.db2.gz HSFSROZKSKPUFC-QWRGUYRKSA-N 2 2 200.326 0.689 20 0 BCADLP C[NH2+]CC[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000382191409 367495822 /nfs/dbraw/zinc/49/58/22/367495822.db2.gz HSFSROZKSKPUFC-QWRGUYRKSA-N 2 2 200.326 0.689 20 0 BCADLP C[NH2+]CCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000381831245 367461008 /nfs/dbraw/zinc/46/10/08/367461008.db2.gz NSYBLITXESYKPG-FOSCPWQOSA-N 3 2 211.353 0.811 20 0 BCADLP C[NH2+]CCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000381831245 367461013 /nfs/dbraw/zinc/46/10/13/367461013.db2.gz NSYBLITXESYKPG-FOSCPWQOSA-N 3 2 211.353 0.811 20 0 BCADLP COC[C@](C)(O)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000382573124 367542339 /nfs/dbraw/zinc/54/23/39/367542339.db2.gz SOLATDBULHJTFL-NTZNESFSSA-N 2 2 242.363 0.599 20 0 BCADLP COC[C@](C)(O)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000382573124 367542342 /nfs/dbraw/zinc/54/23/42/367542342.db2.gz SOLATDBULHJTFL-NTZNESFSSA-N 2 2 242.363 0.599 20 0 BCADLP C[C@@H]([NH2+]C1CC1)C(=O)NCc1[nH+]ccn1C ZINC000382959978 367573690 /nfs/dbraw/zinc/57/36/90/367573690.db2.gz OFCBAXHVGGNOEC-MRVPVSSYSA-N 2 2 222.292 0.177 20 0 BCADLP CCC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1CC1 ZINC000383734929 367650254 /nfs/dbraw/zinc/65/02/54/367650254.db2.gz HOQPDYOYFIJCIQ-CYBMUJFWSA-N 2 2 244.379 0.800 20 0 BCADLP CCC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1CC1 ZINC000383734929 367650258 /nfs/dbraw/zinc/65/02/58/367650258.db2.gz HOQPDYOYFIJCIQ-CYBMUJFWSA-N 2 2 244.379 0.800 20 0 BCADLP CCC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1CC1 ZINC000383734929 367650265 /nfs/dbraw/zinc/65/02/65/367650265.db2.gz HOQPDYOYFIJCIQ-CYBMUJFWSA-N 2 2 244.379 0.800 20 0 BCADLP CCC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1CC1 ZINC000383734929 367650269 /nfs/dbraw/zinc/65/02/69/367650269.db2.gz HOQPDYOYFIJCIQ-CYBMUJFWSA-N 2 2 244.379 0.800 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000581608442 367631704 /nfs/dbraw/zinc/63/17/04/367631704.db2.gz GIWODDXQYXEWTN-VHSXEESVSA-N 2 2 221.308 0.310 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000581608442 367631709 /nfs/dbraw/zinc/63/17/09/367631709.db2.gz GIWODDXQYXEWTN-VHSXEESVSA-N 2 2 221.308 0.310 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000383764550 367652892 /nfs/dbraw/zinc/65/28/92/367652892.db2.gz MDUPCFFNQSQCKQ-UPJWGTAASA-N 2 2 244.379 0.513 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000383764550 367652893 /nfs/dbraw/zinc/65/28/93/367652893.db2.gz MDUPCFFNQSQCKQ-UPJWGTAASA-N 2 2 244.379 0.513 20 0 BCADLP O=C([C@H]1CC[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000384821836 367737401 /nfs/dbraw/zinc/73/74/01/367737401.db2.gz QROFVWOPCDSTOK-LLVKDONJSA-N 2 2 246.314 0.092 20 0 BCADLP C[C@@H]1C[C@@H](O)C[N@@H+]1CC[NH2+]C(C)(C)C ZINC000384843837 367741203 /nfs/dbraw/zinc/74/12/03/367741203.db2.gz WLFXYPCJHUVUCD-NXEZZACHSA-N 2 2 200.326 0.830 20 0 BCADLP C[C@@H]1C[C@@H](O)C[N@H+]1CC[NH2+]C(C)(C)C ZINC000384843837 367741207 /nfs/dbraw/zinc/74/12/07/367741207.db2.gz WLFXYPCJHUVUCD-NXEZZACHSA-N 2 2 200.326 0.830 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000385023171 367774285 /nfs/dbraw/zinc/77/42/85/367774285.db2.gz OTDXUNJQTYWBEF-WHXUTIOJSA-N 2 2 227.352 0.569 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000385023171 367774289 /nfs/dbraw/zinc/77/42/89/367774289.db2.gz OTDXUNJQTYWBEF-WHXUTIOJSA-N 2 2 227.352 0.569 20 0 BCADLP CC(C)(C)[NH2+]CC[N@H+](CCO)CCCO ZINC000385530822 367842637 /nfs/dbraw/zinc/84/26/37/367842637.db2.gz FFYKHFLEPGBWRB-UHFFFAOYSA-N 2 2 218.341 0.051 20 0 BCADLP CC(C)(C)[NH2+]CC[N@@H+](CCO)CCCO ZINC000385530822 367842643 /nfs/dbraw/zinc/84/26/43/367842643.db2.gz FFYKHFLEPGBWRB-UHFFFAOYSA-N 2 2 218.341 0.051 20 0 BCADLP C[N@@H+]1CCN(C(=O)C2CCCC2)[C@@H](C[NH3+])C1 ZINC000087613495 367917449 /nfs/dbraw/zinc/91/74/49/367917449.db2.gz POBLXBCRXDUVTP-NSHDSACASA-N 2 2 225.336 0.278 20 0 BCADLP C[N@H+]1CCN(C(=O)C2CCCC2)[C@@H](C[NH3+])C1 ZINC000087613495 367917451 /nfs/dbraw/zinc/91/74/51/367917451.db2.gz POBLXBCRXDUVTP-NSHDSACASA-N 2 2 225.336 0.278 20 0 BCADLP COCC[NH2+]CC[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000385989846 367893791 /nfs/dbraw/zinc/89/37/91/367893791.db2.gz ARVIIIITAHLTGL-HBNTYKKESA-N 2 2 200.326 0.857 20 0 BCADLP COC[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)OC ZINC000386539618 367988585 /nfs/dbraw/zinc/98/85/85/367988585.db2.gz CWQZUZILKJPMAU-SDDRHHMPSA-N 2 2 230.352 0.768 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1COCCO1)[C@H]1CCCC[NH2+]1 ZINC000386561382 367992459 /nfs/dbraw/zinc/99/24/59/367992459.db2.gz JDQQBVMYAYVZEV-QJPTWQEYSA-N 2 2 228.336 0.522 20 0 BCADLP C[C@H]1[C@@H](CO)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000386271380 367943742 /nfs/dbraw/zinc/94/37/42/367943742.db2.gz MHAFUDAJFMTZGD-NWDGAFQWSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H]1[C@@H](CO)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000386271380 367943744 /nfs/dbraw/zinc/94/37/44/367943744.db2.gz MHAFUDAJFMTZGD-NWDGAFQWSA-N 2 2 223.320 0.976 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386624416 368003110 /nfs/dbraw/zinc/00/31/10/368003110.db2.gz YRQQXDJFDKZZCU-VWYCJHECSA-N 2 2 227.352 0.631 20 0 BCADLP CC[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)[C@@H](C)O ZINC000386866355 368029957 /nfs/dbraw/zinc/02/99/57/368029957.db2.gz KEWFQCXQQGSBNR-MWLCHTKSSA-N 2 2 240.351 0.735 20 0 BCADLP CC[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)[C@H](C)O ZINC000386866347 368030087 /nfs/dbraw/zinc/03/00/87/368030087.db2.gz KEWFQCXQQGSBNR-GXSJLCMTSA-N 2 2 240.351 0.735 20 0 BCADLP C[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000566404594 326040006 /nfs/dbraw/zinc/04/00/06/326040006.db2.gz QFFBGKFNXNSRNK-JTQLQIEISA-N 2 2 224.308 0.560 20 0 BCADLP CC(C)[C@@H](C(=O)N(C)Cc1[nH]cc[nH+]1)[C@@H](C)[NH3+] ZINC000399575637 368248899 /nfs/dbraw/zinc/24/88/99/368248899.db2.gz LQZJMRLFAVQPBR-MWLCHTKSSA-N 2 2 238.335 0.988 20 0 BCADLP CCC[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000566685844 326074129 /nfs/dbraw/zinc/07/41/29/326074129.db2.gz MAAZYOYFANXJKY-NSHDSACASA-N 2 2 238.335 0.950 20 0 BCADLP CC(C)[C@@H](NC(=O)[C@H]1CC[NH2+]1)c1[nH]cc[nH+]1 ZINC000566972354 326098453 /nfs/dbraw/zinc/09/84/53/326098453.db2.gz WMHUYMSWYYZJTR-RKDXNWHRSA-N 2 2 222.292 0.585 20 0 BCADLP COC[C@@H]1CC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000567179850 326130381 /nfs/dbraw/zinc/13/03/81/326130381.db2.gz WTHAQAOGXJBSER-NWDGAFQWSA-N 2 2 230.352 0.408 20 0 BCADLP COC[C@@H]1CC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000567179850 326130384 /nfs/dbraw/zinc/13/03/84/326130384.db2.gz WTHAQAOGXJBSER-NWDGAFQWSA-N 2 2 230.352 0.408 20 0 BCADLP COC[C@@H]1CC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000567179850 326130385 /nfs/dbraw/zinc/13/03/85/326130385.db2.gz WTHAQAOGXJBSER-NWDGAFQWSA-N 2 2 230.352 0.408 20 0 BCADLP COC[C@@H]1CC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000567179850 326130388 /nfs/dbraw/zinc/13/03/88/326130388.db2.gz WTHAQAOGXJBSER-NWDGAFQWSA-N 2 2 230.352 0.408 20 0 BCADLP CC[NH+]1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000084384574 368853260 /nfs/dbraw/zinc/85/32/60/368853260.db2.gz SFYDZIZYWAJHJW-LBPRGKRZSA-N 2 2 211.353 0.624 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2ccccn2)C1 ZINC000631823789 368984598 /nfs/dbraw/zinc/98/45/98/368984598.db2.gz NYKODJVTHPPDHO-WDEREUQCSA-N 2 2 248.330 0.689 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2ccccn2)C1 ZINC000631823789 368984601 /nfs/dbraw/zinc/98/46/01/368984601.db2.gz NYKODJVTHPPDHO-WDEREUQCSA-N 2 2 248.330 0.689 20 0 BCADLP Cc1nccnc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000631821958 368974255 /nfs/dbraw/zinc/97/42/55/368974255.db2.gz OLFGRRACMZHQAK-ONGXEEELSA-N 2 2 220.320 0.954 20 0 BCADLP Cc1nccnc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000631821958 368974258 /nfs/dbraw/zinc/97/42/58/368974258.db2.gz OLFGRRACMZHQAK-ONGXEEELSA-N 2 2 220.320 0.954 20 0 BCADLP [NH3+][C@@H]1CCCCC[N@H+](CCN2CCCC2=O)C1 ZINC000631832460 369019414 /nfs/dbraw/zinc/01/94/14/369019414.db2.gz GIYIIKMPCAAPRB-GFCCVEGCSA-N 2 2 239.363 0.812 20 0 BCADLP [NH3+][C@@H]1CCCCC[N@@H+](CCN2CCCC2=O)C1 ZINC000631832460 369019419 /nfs/dbraw/zinc/01/94/19/369019419.db2.gz GIYIIKMPCAAPRB-GFCCVEGCSA-N 2 2 239.363 0.812 20 0 BCADLP CCNC(=O)C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834974 369037651 /nfs/dbraw/zinc/03/76/51/369037651.db2.gz JNWHTOPQCVOGKA-JTQLQIEISA-N 2 2 213.325 0.326 20 0 BCADLP CCNC(=O)C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834974 369037653 /nfs/dbraw/zinc/03/76/53/369037653.db2.gz JNWHTOPQCVOGKA-JTQLQIEISA-N 2 2 213.325 0.326 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)C[N@@H+]1C1CC1 ZINC000623663146 369080891 /nfs/dbraw/zinc/08/08/91/369080891.db2.gz ZKZTXFYIMIXBMM-DBIOUOCHSA-N 2 2 237.347 0.465 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)C[N@H+]1C1CC1 ZINC000623663146 369080896 /nfs/dbraw/zinc/08/08/96/369080896.db2.gz ZKZTXFYIMIXBMM-DBIOUOCHSA-N 2 2 237.347 0.465 20 0 BCADLP Cc1[nH+]cc(CN[C@@H](C)C[NH+](C)C)n1C ZINC000567487739 326203059 /nfs/dbraw/zinc/20/30/59/326203059.db2.gz YLTKMNCRYOCORM-VIFPVBQESA-N 2 2 210.325 0.768 20 0 BCADLP CC[N@H+](CCc1c[nH+]cn1C)C1COC1 ZINC000459505645 203292681 /nfs/dbraw/zinc/29/26/81/203292681.db2.gz ICQODLBCERPOCJ-UHFFFAOYSA-N 2 2 209.293 0.683 20 0 BCADLP CC[N@@H+](CCc1c[nH+]cn1C)C1COC1 ZINC000459505645 203292684 /nfs/dbraw/zinc/29/26/84/203292684.db2.gz ICQODLBCERPOCJ-UHFFFAOYSA-N 2 2 209.293 0.683 20 0 BCADLP NC(=O)CC[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000567699680 326247321 /nfs/dbraw/zinc/24/73/21/326247321.db2.gz XXSGKZDIXMFYTA-LLVKDONJSA-N 2 2 225.336 0.468 20 0 BCADLP NC(=O)CC[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000567699680 326247323 /nfs/dbraw/zinc/24/73/23/326247323.db2.gz XXSGKZDIXMFYTA-LLVKDONJSA-N 2 2 225.336 0.468 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107574633 369353689 /nfs/dbraw/zinc/35/36/89/369353689.db2.gz KEHTUEKKCACYHL-QJPTWQEYSA-N 2 2 239.363 0.298 20 0 BCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccccc1 ZINC000107577536 369354043 /nfs/dbraw/zinc/35/40/43/369354043.db2.gz JKCZVETUTORQMF-RYUDHWBXSA-N 2 2 245.326 0.776 20 0 BCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCCCC1 ZINC000107579389 369354149 /nfs/dbraw/zinc/35/41/49/369354149.db2.gz GSJZOYABYAIVAB-VXGBXAGGSA-N 2 2 237.347 0.150 20 0 BCADLP COC(=O)c1ccc(C[NH+]2CCC([NH3+])CC2)nc1 ZINC000082095381 370955076 /nfs/dbraw/zinc/95/50/76/370955076.db2.gz XJOUOTHJMRWHKL-UHFFFAOYSA-N 2 2 249.314 0.791 20 0 BCADLP CO[C@@H]1COC[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000459747115 203353414 /nfs/dbraw/zinc/35/34/14/203353414.db2.gz CQWFQOYPYDEEMM-NWDGAFQWSA-N 2 2 247.298 0.838 20 0 BCADLP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1[nH+]ccn1C ZINC000620599542 369949302 /nfs/dbraw/zinc/94/93/02/369949302.db2.gz GDXSMKIDQXGCLB-UWVGGRQHSA-N 2 2 236.319 0.692 20 0 BCADLP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1[nH+]ccn1C ZINC000620599542 369949305 /nfs/dbraw/zinc/94/93/05/369949305.db2.gz GDXSMKIDQXGCLB-UWVGGRQHSA-N 2 2 236.319 0.692 20 0 BCADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)OC)CC[C@@H]1[NH3+] ZINC000251779315 369961110 /nfs/dbraw/zinc/96/11/10/369961110.db2.gz MZGHQOFADHJFOO-BBBLOLIVSA-N 2 2 214.309 0.607 20 0 BCADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)OC)CC[C@@H]1[NH3+] ZINC000251779315 369961116 /nfs/dbraw/zinc/96/11/16/369961116.db2.gz MZGHQOFADHJFOO-BBBLOLIVSA-N 2 2 214.309 0.607 20 0 BCADLP C[C@H](C(=O)NC(C)(C)C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453609 370045574 /nfs/dbraw/zinc/04/55/74/370045574.db2.gz PANXLQFFOFELOF-VWYCJHECSA-N 2 2 239.363 0.441 20 0 BCADLP CC[C@H](C)NC(=O)[C@H](C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453833 370045629 /nfs/dbraw/zinc/04/56/29/370045629.db2.gz WOCISMUAJMIWSN-BJDJZHNGSA-N 2 2 239.363 0.441 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC[C@H](C)[NH3+] ZINC000621242140 370175660 /nfs/dbraw/zinc/17/56/60/370175660.db2.gz XRAQKSXKKSEVIS-VHSXEESVSA-N 2 2 239.323 0.308 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000621295751 370221781 /nfs/dbraw/zinc/22/17/81/370221781.db2.gz XDSFHWMPGUPNKY-SNVBAGLBSA-N 2 2 236.319 0.160 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000621295751 370221786 /nfs/dbraw/zinc/22/17/86/370221786.db2.gz XDSFHWMPGUPNKY-SNVBAGLBSA-N 2 2 236.319 0.160 20 0 BCADLP C([NH2+][C@]12CCC[C@@H]1C[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC000631867327 370222237 /nfs/dbraw/zinc/22/22/37/370222237.db2.gz PZMUZRROSMLTBA-XQQFMLRXSA-N 3 2 223.364 0.718 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000309759205 370255589 /nfs/dbraw/zinc/25/55/89/370255589.db2.gz IHDLZHPFRMLUIP-UTUOFQBUSA-N 3 2 211.353 0.798 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000309759205 370255590 /nfs/dbraw/zinc/25/55/90/370255590.db2.gz IHDLZHPFRMLUIP-UTUOFQBUSA-N 3 2 211.353 0.798 20 0 BCADLP C([NH2+][C@]12CCC[C@@H]1C[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC000631868014 370359133 /nfs/dbraw/zinc/35/91/33/370359133.db2.gz SIMOHGLQQKXPCX-TUAOUCFPSA-N 3 2 209.337 0.328 20 0 BCADLP CC(=O)N1CC[C@@H]([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000621387794 370330183 /nfs/dbraw/zinc/33/01/83/370330183.db2.gz OTHQWGIYCNVBKH-MVWJERBFSA-N 2 2 225.336 0.147 20 0 BCADLP CC(=O)N1CC[C@@H]([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000621387794 370330190 /nfs/dbraw/zinc/33/01/90/370330190.db2.gz OTHQWGIYCNVBKH-MVWJERBFSA-N 2 2 225.336 0.147 20 0 BCADLP O=C(CC[C@@H]1CCC[NH2+]C1)Nc1cc[nH+]cc1O ZINC000621652748 370412652 /nfs/dbraw/zinc/41/26/52/370412652.db2.gz DVRYPRYWAVHKOY-JTQLQIEISA-N 2 2 249.314 0.927 20 0 BCADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CC(=O)N1CCCC1)C2 ZINC000621784414 370536327 /nfs/dbraw/zinc/53/63/27/370536327.db2.gz ONMSBMQZPGHZEJ-DGCLKSJQSA-N 2 2 237.347 0.422 20 0 BCADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CC(=O)N1CCCC1)C2 ZINC000621784414 370536334 /nfs/dbraw/zinc/53/63/34/370536334.db2.gz ONMSBMQZPGHZEJ-DGCLKSJQSA-N 2 2 237.347 0.422 20 0 BCADLP CCn1cc(CC[N@@H+]2CCC[C@@H]([NH3+])C2)cn1 ZINC000621774634 370521357 /nfs/dbraw/zinc/52/13/57/370521357.db2.gz YZRQSSUUADLFHA-GFCCVEGCSA-N 2 2 222.336 0.869 20 0 BCADLP CCn1cc(CC[N@H+]2CCC[C@@H]([NH3+])C2)cn1 ZINC000621774634 370521359 /nfs/dbraw/zinc/52/13/59/370521359.db2.gz YZRQSSUUADLFHA-GFCCVEGCSA-N 2 2 222.336 0.869 20 0 BCADLP Cc1cc(C[N@H+](C)C[C@H](O)C[NH3+])ccn1 ZINC000621776511 370524446 /nfs/dbraw/zinc/52/44/46/370524446.db2.gz NLLBITBXCGMPFA-LLVKDONJSA-N 2 2 209.293 0.141 20 0 BCADLP Cc1cc(C[N@@H+](C)C[C@H](O)C[NH3+])ccn1 ZINC000621776511 370524450 /nfs/dbraw/zinc/52/44/50/370524450.db2.gz NLLBITBXCGMPFA-LLVKDONJSA-N 2 2 209.293 0.141 20 0 BCADLP Cc1cc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)ccn1 ZINC000621776834 370526369 /nfs/dbraw/zinc/52/63/69/370526369.db2.gz XOLUBTRINZFPPD-CYBMUJFWSA-N 2 2 235.331 0.940 20 0 BCADLP Cc1cc(C[N@H+]2CCCO[C@H](C[NH3+])C2)ccn1 ZINC000621776834 370526376 /nfs/dbraw/zinc/52/63/76/370526376.db2.gz XOLUBTRINZFPPD-CYBMUJFWSA-N 2 2 235.331 0.940 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621779081 370528825 /nfs/dbraw/zinc/52/88/25/370528825.db2.gz ZLPUOAGUQQHWQF-GIPNMCIBSA-N 2 2 237.347 0.467 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621779081 370528828 /nfs/dbraw/zinc/52/88/28/370528828.db2.gz ZLPUOAGUQQHWQF-GIPNMCIBSA-N 2 2 237.347 0.467 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621782348 370531915 /nfs/dbraw/zinc/53/19/15/370531915.db2.gz PDRBVRZRFNZBCT-AAEUAGOBSA-N 2 2 239.363 0.668 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621782348 370531924 /nfs/dbraw/zinc/53/19/24/370531924.db2.gz PDRBVRZRFNZBCT-AAEUAGOBSA-N 2 2 239.363 0.668 20 0 BCADLP COc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000078570888 370576847 /nfs/dbraw/zinc/57/68/47/370576847.db2.gz RUMJOQZURBORMJ-QWRGUYRKSA-N 2 2 233.315 0.741 20 0 BCADLP CCO[C@@H]1C[C@@H]1[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000568868729 326380101 /nfs/dbraw/zinc/38/01/01/326380101.db2.gz CMSQLSPCWPVUNP-RNJOBUHISA-N 2 2 240.347 0.520 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](OC)C2)C1 ZINC000623808603 371103657 /nfs/dbraw/zinc/10/36/57/371103657.db2.gz ZFCQIDAPIVWGMU-SRVKXCTJSA-N 2 2 228.336 0.474 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](OC)C2)C1 ZINC000623808603 371103659 /nfs/dbraw/zinc/10/36/59/371103659.db2.gz ZFCQIDAPIVWGMU-SRVKXCTJSA-N 2 2 228.336 0.474 20 0 BCADLP CC[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)CCO1 ZINC000623838413 371121472 /nfs/dbraw/zinc/12/14/72/371121472.db2.gz UJEUSZPSEMUVSU-FRRDWIJNSA-N 2 2 242.363 0.600 20 0 BCADLP CC[C@@H]1C[C@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)CCO1 ZINC000623838413 371121477 /nfs/dbraw/zinc/12/14/77/371121477.db2.gz UJEUSZPSEMUVSU-FRRDWIJNSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000624219632 371408480 /nfs/dbraw/zinc/40/84/80/371408480.db2.gz ZYAPDPUHENGLGW-DJIHRAIXSA-N 2 2 224.348 0.830 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000624219632 371408484 /nfs/dbraw/zinc/40/84/84/371408484.db2.gz ZYAPDPUHENGLGW-DJIHRAIXSA-N 2 2 224.348 0.830 20 0 BCADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)C1CCOCC1 ZINC000624227952 371415637 /nfs/dbraw/zinc/41/56/37/371415637.db2.gz CTMNZNIBJLVETK-DGCLKSJQSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)C1CCOCC1 ZINC000624227952 371415642 /nfs/dbraw/zinc/41/56/42/371415642.db2.gz CTMNZNIBJLVETK-DGCLKSJQSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCCOC1 ZINC000624230178 371419001 /nfs/dbraw/zinc/41/90/01/371419001.db2.gz POHGERXXFXJSAE-JHJVBQTASA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)[C@@H]1CCCOC1 ZINC000624230178 371419005 /nfs/dbraw/zinc/41/90/05/371419005.db2.gz POHGERXXFXJSAE-JHJVBQTASA-N 2 2 242.363 0.458 20 0 BCADLP CC1(C)CC([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000624338016 371487829 /nfs/dbraw/zinc/48/78/29/371487829.db2.gz RNOGDKOKHMBESC-NSHDSACASA-N 2 2 212.337 0.831 20 0 BCADLP CC1(C)CC([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000624338016 371487832 /nfs/dbraw/zinc/48/78/32/371487832.db2.gz RNOGDKOKHMBESC-NSHDSACASA-N 2 2 212.337 0.831 20 0 BCADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)[C@@H]1CCCOC1 ZINC000624337836 371487936 /nfs/dbraw/zinc/48/79/36/371487936.db2.gz POHGERXXFXJSAE-UPJWGTAASA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)[C@@H]1CCCOC1 ZINC000624337836 371487939 /nfs/dbraw/zinc/48/79/39/371487939.db2.gz POHGERXXFXJSAE-UPJWGTAASA-N 2 2 242.363 0.458 20 0 BCADLP CC[C@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624338856 371488503 /nfs/dbraw/zinc/48/85/03/371488503.db2.gz FTANRMSSLHKKLF-SRVKXCTJSA-N 2 2 212.337 0.831 20 0 BCADLP CC[C@H]1CC[C@@H]1[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624338856 371488510 /nfs/dbraw/zinc/48/85/10/371488510.db2.gz FTANRMSSLHKKLF-SRVKXCTJSA-N 2 2 212.337 0.831 20 0 BCADLP Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc[nH+]1 ZINC000624256910 371443868 /nfs/dbraw/zinc/44/38/68/371443868.db2.gz MKDNFPKCAIYPGN-IAZYJMLFSA-N 2 2 218.304 0.781 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC[C@H](O)C(F)F ZINC000631217108 372237550 /nfs/dbraw/zinc/23/75/50/372237550.db2.gz RHDRSKPBMVPKKG-VGMNWLOBSA-N 2 2 222.279 0.542 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC[C@H](O)C(F)F ZINC000631217108 372237553 /nfs/dbraw/zinc/23/75/53/372237553.db2.gz RHDRSKPBMVPKKG-VGMNWLOBSA-N 2 2 222.279 0.542 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CN(c2ccncn2)C1 ZINC000631258358 372265536 /nfs/dbraw/zinc/26/55/36/372265536.db2.gz QWAFQFGOIUDAKK-CMPLNLGQSA-N 2 2 247.346 0.205 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CN(c2ccncn2)C1 ZINC000631258358 372265539 /nfs/dbraw/zinc/26/55/39/372265539.db2.gz QWAFQFGOIUDAKK-CMPLNLGQSA-N 2 2 247.346 0.205 20 0 BCADLP O[C@@H]1CCOC[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000631272374 372272263 /nfs/dbraw/zinc/27/22/63/372272263.db2.gz VVUNSICFDVIGOC-VXGBXAGGSA-N 2 2 247.298 0.574 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC[C@@H]1O ZINC000631740748 372541143 /nfs/dbraw/zinc/54/11/43/372541143.db2.gz FJMDKTUJPGZCOH-SYEHKZFSSA-N 2 2 224.348 0.972 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC[C@@H]1O ZINC000631740748 372541146 /nfs/dbraw/zinc/54/11/46/372541146.db2.gz FJMDKTUJPGZCOH-SYEHKZFSSA-N 2 2 224.348 0.972 20 0 BCADLP [NH3+][C@@H]1CCC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631820941 372593206 /nfs/dbraw/zinc/59/32/06/372593206.db2.gz KVGZLTNZSHGYHT-NXEZZACHSA-N 2 2 221.308 0.189 20 0 BCADLP [NH3+][C@@H]1CCC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631820941 372593211 /nfs/dbraw/zinc/59/32/11/372593211.db2.gz KVGZLTNZSHGYHT-NXEZZACHSA-N 2 2 221.308 0.189 20 0 BCADLP Cc1nccnc1C[NH+]1CCC([NH3+])CC1 ZINC000631821452 372595508 /nfs/dbraw/zinc/59/55/08/372595508.db2.gz YQORQIBTAXGOFO-UHFFFAOYSA-N 2 2 206.293 0.708 20 0 BCADLP C[NH2+][C@H]1CCC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631821210 372595912 /nfs/dbraw/zinc/59/59/12/372595912.db2.gz RLZTWSSCHFKDRB-QWRGUYRKSA-N 2 2 235.335 0.449 20 0 BCADLP C[NH2+][C@H]1CCC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631821210 372595918 /nfs/dbraw/zinc/59/59/18/372595918.db2.gz RLZTWSSCHFKDRB-QWRGUYRKSA-N 2 2 235.335 0.449 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)C[C@H]1CCc2ncnn21 ZINC000631821810 372597171 /nfs/dbraw/zinc/59/71/71/372597171.db2.gz JVOLSNXTNXCEFD-RKDXNWHRSA-N 2 2 209.297 0.044 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC000631821810 372597175 /nfs/dbraw/zinc/59/71/75/372597175.db2.gz JVOLSNXTNXCEFD-RKDXNWHRSA-N 2 2 209.297 0.044 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000631822322 372598578 /nfs/dbraw/zinc/59/85/78/372598578.db2.gz ZMHFUPNQOCKALA-NXEZZACHSA-N 2 2 221.308 0.189 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@H]1CCc2ncnn21 ZINC000631822322 372598583 /nfs/dbraw/zinc/59/85/83/372598583.db2.gz ZMHFUPNQOCKALA-NXEZZACHSA-N 2 2 221.308 0.189 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCOC[C@H]1CCCO1 ZINC000631860709 372659148 /nfs/dbraw/zinc/65/91/48/372659148.db2.gz NPVWAQXQHMSVMT-IJLUTSLNSA-N 2 2 228.336 0.604 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCOC[C@H]1CCCO1 ZINC000631860709 372659155 /nfs/dbraw/zinc/65/91/55/372659155.db2.gz NPVWAQXQHMSVMT-IJLUTSLNSA-N 2 2 228.336 0.604 20 0 BCADLP CCc1noc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000631841846 372638168 /nfs/dbraw/zinc/63/81/68/372638168.db2.gz QRCJNDVIRHAVSK-RKDXNWHRSA-N 2 2 224.308 0.659 20 0 BCADLP CCc1noc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000631841846 372638170 /nfs/dbraw/zinc/63/81/70/372638170.db2.gz QRCJNDVIRHAVSK-RKDXNWHRSA-N 2 2 224.308 0.659 20 0 BCADLP Cn1nccc1C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867553 372669216 /nfs/dbraw/zinc/66/92/16/372669216.db2.gz WZNOEFZHOBDPAN-PWSUYJOCSA-N 2 2 220.320 0.652 20 0 BCADLP C(CN1CCOCC1)[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867981 372669262 /nfs/dbraw/zinc/66/92/62/372669262.db2.gz RDISQSPBAASOSR-OLZOCXBDSA-N 2 2 239.363 0.050 20 0 BCADLP C[N@@H+](Cc1ncc[nH]1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000631879094 372676604 /nfs/dbraw/zinc/67/66/04/372676604.db2.gz KFIJWONKMORTRR-SNVBAGLBSA-N 2 2 236.319 0.363 20 0 BCADLP C[N@H+](Cc1ncc[nH]1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000631879094 372676612 /nfs/dbraw/zinc/67/66/12/372676612.db2.gz KFIJWONKMORTRR-SNVBAGLBSA-N 2 2 236.319 0.363 20 0 BCADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NC1CC1 ZINC000631888117 372682962 /nfs/dbraw/zinc/68/29/62/372682962.db2.gz WLEFJQHMHIDYOH-PWSUYJOCSA-N 2 2 237.347 0.339 20 0 BCADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NC1CC1 ZINC000631888117 372682967 /nfs/dbraw/zinc/68/29/67/372682967.db2.gz WLEFJQHMHIDYOH-PWSUYJOCSA-N 2 2 237.347 0.339 20 0 BCADLP c1ncn(CC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)n1 ZINC000631888825 372684822 /nfs/dbraw/zinc/68/48/22/372684822.db2.gz BPVHSQUEDRFVQQ-NEPJUHHUSA-N 2 2 235.335 0.352 20 0 BCADLP c1ncn(CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)n1 ZINC000631888825 372684832 /nfs/dbraw/zinc/68/48/32/372684832.db2.gz BPVHSQUEDRFVQQ-NEPJUHHUSA-N 2 2 235.335 0.352 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631891072 372686535 /nfs/dbraw/zinc/68/65/35/372686535.db2.gz VUYBRZWKMAAZRC-UPJWGTAASA-N 3 2 239.363 0.049 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631891072 372686540 /nfs/dbraw/zinc/68/65/40/372686540.db2.gz VUYBRZWKMAAZRC-UPJWGTAASA-N 3 2 239.363 0.049 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631891071 372686844 /nfs/dbraw/zinc/68/68/44/372686844.db2.gz VUYBRZWKMAAZRC-JHJVBQTASA-N 3 2 239.363 0.049 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631891071 372686851 /nfs/dbraw/zinc/68/68/51/372686851.db2.gz VUYBRZWKMAAZRC-JHJVBQTASA-N 3 2 239.363 0.049 20 0 BCADLP O=C(C[C@H]1CCC[NH2+]1)NCCn1cc[nH+]c1 ZINC000042171714 182028881 /nfs/dbraw/zinc/02/88/81/182028881.db2.gz XWLJGUXIIYWFRN-SNVBAGLBSA-N 2 2 222.292 0.141 20 0 BCADLP COC[C@H](CC(C)C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414891310 205779579 /nfs/dbraw/zinc/77/95/79/205779579.db2.gz WONXUSNUBPIFDQ-MNOVXSKESA-N 2 2 200.326 0.999 20 0 BCADLP O=C(NCCNc1cccc[nH+]1)[C@@H]1CCC[NH2+]1 ZINC000272375999 182188152 /nfs/dbraw/zinc/18/81/52/182188152.db2.gz VKCJECHLDVPBEZ-JTQLQIEISA-N 2 2 234.303 0.362 20 0 BCADLP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368488086 182199837 /nfs/dbraw/zinc/19/98/37/182199837.db2.gz YGZUZKMDXFPTCC-IUCAKERBSA-N 2 2 247.289 0.099 20 0 BCADLP O=C(NC[C@H]1CC[NH2+]C1)c1ccc2[nH+]ccn2c1 ZINC000272962824 182242875 /nfs/dbraw/zinc/24/28/75/182242875.db2.gz ABUUMUCWHWYXJU-JTQLQIEISA-N 2 2 244.298 0.674 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279037094 182273512 /nfs/dbraw/zinc/27/35/12/182273512.db2.gz OBAKOLJRMXUDMB-SNVBAGLBSA-N 2 2 234.303 0.653 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@H]1CCC[N@H+]1C1CC1 ZINC000279037094 182273516 /nfs/dbraw/zinc/27/35/16/182273516.db2.gz OBAKOLJRMXUDMB-SNVBAGLBSA-N 2 2 234.303 0.653 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000080626040 182274181 /nfs/dbraw/zinc/27/41/81/182274181.db2.gz NBODEASZYVWBHB-DCAQKATOSA-N 2 2 248.330 0.947 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]C1CCSCC1 ZINC000184541407 206012316 /nfs/dbraw/zinc/01/23/16/206012316.db2.gz CQGOCWJLMWAQNA-UHFFFAOYSA-N 2 2 232.393 0.786 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]C1CCSCC1 ZINC000184541407 206012320 /nfs/dbraw/zinc/01/23/20/206012320.db2.gz CQGOCWJLMWAQNA-UHFFFAOYSA-N 2 2 232.393 0.786 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000080626048 182273124 /nfs/dbraw/zinc/27/31/24/182273124.db2.gz NBODEASZYVWBHB-VWYCJHECSA-N 2 2 248.330 0.947 20 0 BCADLP O=C(N[C@@H]1CCC[NH2+]C1)c1ccc2[nH+]ccn2c1 ZINC000178392705 182295514 /nfs/dbraw/zinc/29/55/14/182295514.db2.gz UPPDOYXZOORHFO-LLVKDONJSA-N 2 2 244.298 0.816 20 0 BCADLP O=C1CC[C@H]([NH2+]CCn2cc[nH+]c2)[C@H](C2CC2)N1 ZINC000368500845 182752969 /nfs/dbraw/zinc/75/29/69/182752969.db2.gz YQNDAYGJSKVXAT-AAEUAGOBSA-N 2 2 248.330 0.530 20 0 BCADLP OCCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000305105719 183056741 /nfs/dbraw/zinc/05/67/41/183056741.db2.gz DSNIHDJRALCJFD-GFCCVEGCSA-N 2 2 222.288 0.917 20 0 BCADLP OCCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000305105719 183056745 /nfs/dbraw/zinc/05/67/45/183056745.db2.gz DSNIHDJRALCJFD-GFCCVEGCSA-N 2 2 222.288 0.917 20 0 BCADLP OCCOCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266921503 183082984 /nfs/dbraw/zinc/08/29/84/183082984.db2.gz MDLUBEZYOUWERA-NSHDSACASA-N 2 2 239.319 0.598 20 0 BCADLP OCCOCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266921503 183082986 /nfs/dbraw/zinc/08/29/86/183082986.db2.gz MDLUBEZYOUWERA-NSHDSACASA-N 2 2 239.319 0.598 20 0 BCADLP OCC[C@H]1CSCC[N@@H+]1CCn1cc[nH+]c1 ZINC000336666554 183098394 /nfs/dbraw/zinc/09/83/94/183098394.db2.gz GIZUOZSBYPPWAC-NSHDSACASA-N 2 2 241.360 0.683 20 0 BCADLP OCC[C@H]1CSCC[N@H+]1CCn1cc[nH+]c1 ZINC000336666554 183098397 /nfs/dbraw/zinc/09/83/97/183098397.db2.gz GIZUOZSBYPPWAC-NSHDSACASA-N 2 2 241.360 0.683 20 0 BCADLP CCC[N@H+](C)CC(=O)Nc1cc[nH+]cc1O ZINC000358321916 169071534 /nfs/dbraw/zinc/07/15/34/169071534.db2.gz BKGVYARWNZXBJY-UHFFFAOYSA-N 2 2 223.276 0.489 20 0 BCADLP CCC[N@@H+](C)CC(=O)Nc1cc[nH+]cc1O ZINC000358321916 169071538 /nfs/dbraw/zinc/07/15/38/169071538.db2.gz BKGVYARWNZXBJY-UHFFFAOYSA-N 2 2 223.276 0.489 20 0 BCADLP O[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CC12CC2 ZINC000364862489 183207131 /nfs/dbraw/zinc/20/71/31/183207131.db2.gz QTQDFZPMGYRQSR-LLVKDONJSA-N 2 2 221.304 0.730 20 0 BCADLP O[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CC12CC2 ZINC000364862489 183207133 /nfs/dbraw/zinc/20/71/33/183207133.db2.gz QTQDFZPMGYRQSR-LLVKDONJSA-N 2 2 221.304 0.730 20 0 BCADLP O[C@@H]1COC[C@H]1[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000340286068 183210228 /nfs/dbraw/zinc/21/02/28/183210228.db2.gz LINOSMQGZGISAJ-CHWSQXEVSA-N 2 2 240.347 0.306 20 0 BCADLP O[C@@H]1[C@H]2C[C@H]3C[N@H+](CCn4cc[nH+]c4)[C@H]1[C@H]3C2 ZINC000302452347 183213032 /nfs/dbraw/zinc/21/30/32/183213032.db2.gz VJQOGGNAWPBALD-PJSNJIKXSA-N 2 2 233.315 0.584 20 0 BCADLP O[C@@H]1[C@H]2C[C@H]3C[N@@H+](CCn4cc[nH+]c4)[C@H]1[C@H]3C2 ZINC000302452347 183213034 /nfs/dbraw/zinc/21/30/34/183213034.db2.gz VJQOGGNAWPBALD-PJSNJIKXSA-N 2 2 233.315 0.584 20 0 BCADLP O[C@H]1COC[C@H]1[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000340286069 183246250 /nfs/dbraw/zinc/24/62/50/183246250.db2.gz LINOSMQGZGISAJ-OLZOCXBDSA-N 2 2 240.347 0.306 20 0 BCADLP O[C@H]1C[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000294856213 183248111 /nfs/dbraw/zinc/24/81/11/183248111.db2.gz NVXYWRKPHNHLGI-JGZJWPJOSA-N 2 2 217.272 0.947 20 0 BCADLP CCC[N@H+](CCCn1cc[nH+]c1)CC(=O)NC ZINC000183165349 169155260 /nfs/dbraw/zinc/15/52/60/169155260.db2.gz JNZUPPLHNYCPPX-UHFFFAOYSA-N 2 2 238.335 0.731 20 0 BCADLP CCC[N@@H+](CCCn1cc[nH+]c1)CC(=O)NC ZINC000183165349 169155263 /nfs/dbraw/zinc/15/52/63/169155263.db2.gz JNZUPPLHNYCPPX-UHFFFAOYSA-N 2 2 238.335 0.731 20 0 BCADLP CCC[N@H+](CCOCCOC)[C@@H]1CC[NH2+]C1 ZINC000070028353 169168907 /nfs/dbraw/zinc/16/89/07/169168907.db2.gz VVGKWPSIQFABMG-GFCCVEGCSA-N 2 2 230.352 0.723 20 0 BCADLP CCC[N@@H+](CCOCCOC)[C@@H]1CC[NH2+]C1 ZINC000070028353 169168910 /nfs/dbraw/zinc/16/89/10/169168910.db2.gz VVGKWPSIQFABMG-GFCCVEGCSA-N 2 2 230.352 0.723 20 0 BCADLP CCC[N@H+](CCc1c[nH+]cn1C)CC(=O)NC ZINC000289496579 169170423 /nfs/dbraw/zinc/17/04/23/169170423.db2.gz DAZZDPKZZOPTFU-UHFFFAOYSA-N 2 2 238.335 0.421 20 0 BCADLP CCC[N@@H+](CCc1c[nH+]cn1C)CC(=O)NC ZINC000289496579 169170425 /nfs/dbraw/zinc/17/04/25/169170425.db2.gz DAZZDPKZZOPTFU-UHFFFAOYSA-N 2 2 238.335 0.421 20 0 BCADLP CCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000104067376 169187324 /nfs/dbraw/zinc/18/73/24/169187324.db2.gz XXIVHINDRIJMDR-LBPRGKRZSA-N 2 2 239.363 0.811 20 0 BCADLP CCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000104067376 169187326 /nfs/dbraw/zinc/18/73/26/169187326.db2.gz XXIVHINDRIJMDR-LBPRGKRZSA-N 2 2 239.363 0.811 20 0 BCADLP c1c(CC[NH2+]C2COC2)[nH+]c2n1CCCC2 ZINC000376833701 183322277 /nfs/dbraw/zinc/32/22/77/183322277.db2.gz JVGSCFWOHUEXQW-UHFFFAOYSA-N 2 2 221.304 0.750 20 0 BCADLP c1c[nH+]c(C2CC[NH+](CC3OCCO3)CC2)[nH]1 ZINC000272305134 183323834 /nfs/dbraw/zinc/32/38/34/183323834.db2.gz QYBVNCRHEBGXCT-UHFFFAOYSA-N 2 2 237.303 0.962 20 0 BCADLP c1c[nH+]c(CNCC[NH+]2CCCCC2)[nH]1 ZINC000049715737 183325435 /nfs/dbraw/zinc/32/54/35/183325435.db2.gz NNGFWZPNZRWRBY-UHFFFAOYSA-N 2 2 208.309 0.985 20 0 BCADLP CCC[NH+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000284094469 169201435 /nfs/dbraw/zinc/20/14/35/169201435.db2.gz SUSZRTMNNNJLGI-ONEGZZNKSA-N 2 2 248.330 0.977 20 0 BCADLP CCCNC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000336743950 169229621 /nfs/dbraw/zinc/22/96/21/169229621.db2.gz PSLLDOJDSHLYBF-LLVKDONJSA-N 2 2 215.341 0.476 20 0 BCADLP CCCNC(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337273070 169218725 /nfs/dbraw/zinc/21/87/25/169218725.db2.gz OUVCLUULPNXDSZ-UHFFFAOYSA-N 2 2 241.379 0.930 20 0 BCADLP CCCNC(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337273070 169218727 /nfs/dbraw/zinc/21/87/27/169218727.db2.gz OUVCLUULPNXDSZ-UHFFFAOYSA-N 2 2 241.379 0.930 20 0 BCADLP CCC[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC000054264224 169258013 /nfs/dbraw/zinc/25/80/13/169258013.db2.gz BGEVKTNHOBGQKU-UHFFFAOYSA-N 2 2 224.308 0.389 20 0 BCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000070799969 169241526 /nfs/dbraw/zinc/24/15/26/169241526.db2.gz BMJHURHQBBDPRX-GHMZBOCLSA-N 2 2 227.352 0.442 20 0 BCADLP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000070799969 169241528 /nfs/dbraw/zinc/24/15/28/169241528.db2.gz BMJHURHQBBDPRX-GHMZBOCLSA-N 2 2 227.352 0.442 20 0 BCADLP CCC[NH2+][C@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000296237769 169285290 /nfs/dbraw/zinc/28/52/90/169285290.db2.gz CLJDIJLBESLQND-GHMZBOCLSA-N 2 2 238.335 0.776 20 0 BCADLP c1ccc(CC[NH2+][C@@H]2CCC[NH2+]C2)nc1 ZINC000043324143 183393907 /nfs/dbraw/zinc/39/39/07/183393907.db2.gz PRXADSBANYKRRI-GFCCVEGCSA-N 2 2 205.305 0.966 20 0 BCADLP CCCS(=O)(=O)CC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000226418925 169329764 /nfs/dbraw/zinc/32/97/64/169329764.db2.gz FYIKTRXAMZCBDV-LLVKDONJSA-N 2 2 248.392 0.482 20 0 BCADLP CCCS(=O)(=O)CC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000226418925 169329765 /nfs/dbraw/zinc/32/97/65/169329765.db2.gz FYIKTRXAMZCBDV-LLVKDONJSA-N 2 2 248.392 0.482 20 0 BCADLP CCC[C@@H](C(=O)NCc1[nH+]ccn1C)[NH+](C)C ZINC000269804622 169345460 /nfs/dbraw/zinc/34/54/60/169345460.db2.gz ADNRTNNGMQNIHF-JTQLQIEISA-N 2 2 238.335 0.767 20 0 BCADLP CCC[C@@H]([NH3+])C(=O)Nc1ccc(N)[nH+]c1 ZINC000261593138 169391902 /nfs/dbraw/zinc/39/19/02/169391902.db2.gz WQGPTXALGDGMKX-MRVPVSSYSA-N 2 2 208.265 0.730 20 0 BCADLP CC[N@H+](CCNCc1c[nH+]cn1C)C1CC1 ZINC000218180897 169845584 /nfs/dbraw/zinc/84/55/84/169845584.db2.gz JYCPYZCZZVVVSQ-UHFFFAOYSA-N 2 2 222.336 0.994 20 0 BCADLP CC[N@@H+](CCNCc1c[nH+]cn1C)C1CC1 ZINC000218180897 169845586 /nfs/dbraw/zinc/84/55/86/169845586.db2.gz JYCPYZCZZVVVSQ-UHFFFAOYSA-N 2 2 222.336 0.994 20 0 BCADLP [NH3+]C1(C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000088129685 383881275 /nfs/dbraw/zinc/88/12/75/383881275.db2.gz ZUPNPSSHMUVNGG-UHFFFAOYSA-N 2 2 246.314 0.222 20 0 BCADLP Cc1noc(C)c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000088287676 383892327 /nfs/dbraw/zinc/89/23/27/383892327.db2.gz UNBNMHQFDAVMGH-QWRGUYRKSA-N 2 2 221.304 0.943 20 0 BCADLP COCC[N@H+](C)CC[NH2+]C[C@H](OC)C1CC1 ZINC000400247256 383980753 /nfs/dbraw/zinc/98/07/53/383980753.db2.gz AHQYEHXEFKDZTN-LBPRGKRZSA-N 2 2 230.352 0.579 20 0 BCADLP COCC[N@@H+](C)CC[NH2+]C[C@H](OC)C1CC1 ZINC000400247256 383980762 /nfs/dbraw/zinc/98/07/62/383980762.db2.gz AHQYEHXEFKDZTN-LBPRGKRZSA-N 2 2 230.352 0.579 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)CO1 ZINC000647214060 383984477 /nfs/dbraw/zinc/98/44/77/383984477.db2.gz LROOUJWLSKYZBS-FRRDWIJNSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)CO1 ZINC000647214060 383984481 /nfs/dbraw/zinc/98/44/81/383984481.db2.gz LROOUJWLSKYZBS-FRRDWIJNSA-N 2 2 242.363 0.600 20 0 BCADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[NH2+]CCO2)C1 ZINC000643544436 384006482 /nfs/dbraw/zinc/00/64/82/384006482.db2.gz KKXNMQJYGIVHNS-IJLUTSLNSA-N 2 2 228.336 0.522 20 0 BCADLP C[C@H]([NH3+])CCC(=O)NCCCn1cc[nH+]c1 ZINC000069839031 384065300 /nfs/dbraw/zinc/06/53/00/384065300.db2.gz QAOPWIWZANTWGF-JTQLQIEISA-N 2 2 224.308 0.517 20 0 BCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000518607123 384067255 /nfs/dbraw/zinc/06/72/55/384067255.db2.gz XXJYCADZSWEYFL-NSHDSACASA-N 2 2 248.330 0.626 20 0 BCADLP CC[C@H]([NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000262659941 384076986 /nfs/dbraw/zinc/07/69/86/384076986.db2.gz FMQOTCIDDDGKRY-JTQLQIEISA-N 2 2 232.287 0.688 20 0 BCADLP COC(=O)[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000050048854 384101654 /nfs/dbraw/zinc/10/16/54/384101654.db2.gz CGWGJXSJXBHFPZ-SNVBAGLBSA-N 2 2 223.276 0.521 20 0 BCADLP COC(=O)[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000050048854 384101658 /nfs/dbraw/zinc/10/16/58/384101658.db2.gz CGWGJXSJXBHFPZ-SNVBAGLBSA-N 2 2 223.276 0.521 20 0 BCADLP C[C@@H](C[NH3+])CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000237343465 384157755 /nfs/dbraw/zinc/15/77/55/384157755.db2.gz UQMVQDRLVVZVJU-JTQLQIEISA-N 2 2 246.314 0.588 20 0 BCADLP COCC[C@@H](C)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449397390 384173349 /nfs/dbraw/zinc/17/33/49/384173349.db2.gz PZWSMQVWLQVYJP-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP COCC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449397390 384173352 /nfs/dbraw/zinc/17/33/52/384173352.db2.gz PZWSMQVWLQVYJP-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC[NH3+] ZINC000394304853 384166802 /nfs/dbraw/zinc/16/68/02/384166802.db2.gz VERRCTGDRFLMBO-NEPJUHHUSA-N 3 2 211.353 0.894 20 0 BCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC[NH3+] ZINC000394304853 384166806 /nfs/dbraw/zinc/16/68/06/384166806.db2.gz VERRCTGDRFLMBO-NEPJUHHUSA-N 3 2 211.353 0.894 20 0 BCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC[NH3+] ZINC000394304853 384166810 /nfs/dbraw/zinc/16/68/10/384166810.db2.gz VERRCTGDRFLMBO-NEPJUHHUSA-N 3 2 211.353 0.894 20 0 BCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC[NH3+] ZINC000394304853 384166815 /nfs/dbraw/zinc/16/68/15/384166815.db2.gz VERRCTGDRFLMBO-NEPJUHHUSA-N 3 2 211.353 0.894 20 0 BCADLP CC(C)C(=O)NC1CC[NH+](CC[NH3+])CC1 ZINC000082491383 384233213 /nfs/dbraw/zinc/23/32/13/384233213.db2.gz DWGSTZDBAGDGCB-UHFFFAOYSA-N 2 2 213.325 0.182 20 0 BCADLP CC[C@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000173454051 384221723 /nfs/dbraw/zinc/22/17/23/384221723.db2.gz ABDBFPWCECINGD-NSHDSACASA-N 2 2 238.335 0.298 20 0 BCADLP Cn1cc[nH+]c1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000082304023 384222355 /nfs/dbraw/zinc/22/23/55/384222355.db2.gz PCVVZQHJVACORE-AOOOYVTPSA-N 2 2 206.293 0.071 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2nccn2C)C1 ZINC000069626950 384246624 /nfs/dbraw/zinc/24/66/24/384246624.db2.gz RPRVBDYYJDTGMO-QWRGUYRKSA-N 2 2 222.336 0.979 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2nccn2C)C1 ZINC000069626950 384246628 /nfs/dbraw/zinc/24/66/28/384246628.db2.gz RPRVBDYYJDTGMO-QWRGUYRKSA-N 2 2 222.336 0.979 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOCC1CC1 ZINC000235485214 384252444 /nfs/dbraw/zinc/25/24/44/384252444.db2.gz QVSAXKZYTDEKMA-DGCLKSJQSA-N 2 2 242.363 0.770 20 0 BCADLP CN(CC(C)(C)C[NH3+])C(=O)CCn1cc[nH+]c1 ZINC000093873216 384275187 /nfs/dbraw/zinc/27/51/87/384275187.db2.gz FGPUSISIEBPXBV-UHFFFAOYSA-N 2 2 238.335 0.717 20 0 BCADLP Cc1nc(NCC(C)(C)[NH+](C)C)nc(N)[nH+]1 ZINC000304444277 384312376 /nfs/dbraw/zinc/31/23/76/384312376.db2.gz IOUGJLZSJYATBT-UHFFFAOYSA-N 2 2 224.312 0.514 20 0 BCADLP C[N@@H+](Cc1cnccn1)C[C@H]1CCC[NH2+]C1 ZINC000095071161 384339491 /nfs/dbraw/zinc/33/94/91/384339491.db2.gz RKSOPPUJKKKANY-NSHDSACASA-N 2 2 220.320 0.908 20 0 BCADLP C[N@H+](Cc1cnccn1)C[C@H]1CCC[NH2+]C1 ZINC000095071161 384339495 /nfs/dbraw/zinc/33/94/95/384339495.db2.gz RKSOPPUJKKKANY-NSHDSACASA-N 2 2 220.320 0.908 20 0 BCADLP CC[N@H+](CCCn1cc[nH+]c1)Cc1cn(C)nn1 ZINC000359652958 384339841 /nfs/dbraw/zinc/33/98/41/384339841.db2.gz USMYZAPNUTXHDE-UHFFFAOYSA-N 2 2 248.334 0.924 20 0 BCADLP CC[N@@H+](CCCn1cc[nH+]c1)Cc1cn(C)nn1 ZINC000359652958 384339846 /nfs/dbraw/zinc/33/98/46/384339846.db2.gz USMYZAPNUTXHDE-UHFFFAOYSA-N 2 2 248.334 0.924 20 0 BCADLP O=C(NCc1c[nH+]c[nH]1)[C@H]1CCCC[NH2+]1 ZINC000084081068 384360327 /nfs/dbraw/zinc/36/03/27/384360327.db2.gz VKUCPYQXYKKONI-SECBINFHSA-N 2 2 208.265 0.168 20 0 BCADLP O=C(NCc1c[nH]c[nH+]1)[C@H]1CCCC[NH2+]1 ZINC000084081068 384360331 /nfs/dbraw/zinc/36/03/31/384360331.db2.gz VKUCPYQXYKKONI-SECBINFHSA-N 2 2 208.265 0.168 20 0 BCADLP C[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000261579644 384389469 /nfs/dbraw/zinc/38/94/69/384389469.db2.gz MLMOBGZIVDYXRY-QMMMGPOBSA-N 2 2 222.292 0.111 20 0 BCADLP C[NH2+]Cc1noc(C2([NH3+])Cc3ccccc3C2)n1 ZINC000647172626 384428306 /nfs/dbraw/zinc/42/83/06/384428306.db2.gz BBKUCFVUVSKDSZ-UHFFFAOYSA-N 2 2 244.298 0.742 20 0 BCADLP CC[C@]1(C(=O)NCc2[nH+]ccn2C)CCC[NH2+]1 ZINC000122124126 384460123 /nfs/dbraw/zinc/46/01/23/384460123.db2.gz QKEAWZFODDVTCS-GFCCVEGCSA-N 2 2 236.319 0.569 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448021619 384462725 /nfs/dbraw/zinc/46/27/25/384462725.db2.gz JRDQYQSDSSBEHU-GHMZBOCLSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448021619 384462731 /nfs/dbraw/zinc/46/27/31/384462731.db2.gz JRDQYQSDSSBEHU-GHMZBOCLSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@@H](O)C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000161792628 384526673 /nfs/dbraw/zinc/52/66/73/384526673.db2.gz PQLKOGDXIWRUIJ-LLVKDONJSA-N 2 2 223.320 0.976 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)CCn1cccn1 ZINC000161791041 384527697 /nfs/dbraw/zinc/52/76/97/384527697.db2.gz DZVFZNWCIQRIAI-UHFFFAOYSA-N 2 2 219.292 0.712 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)CCn1cccn1 ZINC000161791041 384527705 /nfs/dbraw/zinc/52/77/05/384527705.db2.gz DZVFZNWCIQRIAI-UHFFFAOYSA-N 2 2 219.292 0.712 20 0 BCADLP C[C@@]1(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]C1 ZINC000085542334 384530834 /nfs/dbraw/zinc/53/08/34/384530834.db2.gz NDLVENFIAGDJNS-GRYCIOLGSA-N 2 2 210.321 0.849 20 0 BCADLP C[C@@]1(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]C1 ZINC000085542334 384530840 /nfs/dbraw/zinc/53/08/40/384530840.db2.gz NDLVENFIAGDJNS-GRYCIOLGSA-N 2 2 210.321 0.849 20 0 BCADLP Cc1nc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000306076100 384569080 /nfs/dbraw/zinc/56/90/80/384569080.db2.gz GFIZAOBHQIYEHG-MRVPVSSYSA-N 2 2 234.307 0.411 20 0 BCADLP Cc1nc(N[C@@H]2CC[N@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000306076100 384569084 /nfs/dbraw/zinc/56/90/84/384569084.db2.gz GFIZAOBHQIYEHG-MRVPVSSYSA-N 2 2 234.307 0.411 20 0 BCADLP Cc1nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(N)[nH+]1 ZINC000306113283 384572068 /nfs/dbraw/zinc/57/20/68/384572068.db2.gz VDUQQTWJWSPLDL-NXEZZACHSA-N 2 2 248.334 0.801 20 0 BCADLP Cc1nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc(N)[nH+]1 ZINC000306113283 384572075 /nfs/dbraw/zinc/57/20/75/384572075.db2.gz VDUQQTWJWSPLDL-NXEZZACHSA-N 2 2 248.334 0.801 20 0 BCADLP Cc1nc(N)nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000306113283 384572083 /nfs/dbraw/zinc/57/20/83/384572083.db2.gz VDUQQTWJWSPLDL-NXEZZACHSA-N 2 2 248.334 0.801 20 0 BCADLP Cc1nc(N)nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000306113283 384572090 /nfs/dbraw/zinc/57/20/90/384572090.db2.gz VDUQQTWJWSPLDL-NXEZZACHSA-N 2 2 248.334 0.801 20 0 BCADLP Cc1nc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(N)[nH+]1 ZINC000306113285 384572501 /nfs/dbraw/zinc/57/25/01/384572501.db2.gz VDUQQTWJWSPLDL-VHSXEESVSA-N 2 2 248.334 0.801 20 0 BCADLP Cc1nc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)nc(N)[nH+]1 ZINC000306113285 384572508 /nfs/dbraw/zinc/57/25/08/384572508.db2.gz VDUQQTWJWSPLDL-VHSXEESVSA-N 2 2 248.334 0.801 20 0 BCADLP Cc1nc(N)nc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000306113285 384572511 /nfs/dbraw/zinc/57/25/11/384572511.db2.gz VDUQQTWJWSPLDL-VHSXEESVSA-N 2 2 248.334 0.801 20 0 BCADLP Cc1nc(N)nc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000306113285 384572517 /nfs/dbraw/zinc/57/25/17/384572517.db2.gz VDUQQTWJWSPLDL-VHSXEESVSA-N 2 2 248.334 0.801 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)[C@H](C)O ZINC000647529335 384605690 /nfs/dbraw/zinc/60/56/90/384605690.db2.gz FTSRLHFPPNLSAP-WOPDTQHZSA-N 2 2 230.352 0.192 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)[C@H](C)O ZINC000647529335 384605693 /nfs/dbraw/zinc/60/56/93/384605693.db2.gz FTSRLHFPPNLSAP-WOPDTQHZSA-N 2 2 230.352 0.192 20 0 BCADLP CC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000647529995 384613928 /nfs/dbraw/zinc/61/39/28/384613928.db2.gz AJSDQUQLBFGKRN-VXGBXAGGSA-N 2 2 230.352 0.194 20 0 BCADLP CC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000647529995 384613930 /nfs/dbraw/zinc/61/39/30/384613930.db2.gz AJSDQUQLBFGKRN-VXGBXAGGSA-N 2 2 230.352 0.194 20 0 BCADLP CC[N@H+](CCn1cc[nH+]c1)CC(C)(C)O ZINC000086274802 384631761 /nfs/dbraw/zinc/63/17/61/384631761.db2.gz ADHMRADZCHVPFR-UHFFFAOYSA-N 2 2 211.309 0.976 20 0 BCADLP CC[N@@H+](CCn1cc[nH+]c1)CC(C)(C)O ZINC000086274802 384631769 /nfs/dbraw/zinc/63/17/69/384631769.db2.gz ADHMRADZCHVPFR-UHFFFAOYSA-N 2 2 211.309 0.976 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnc(N(C)C)nc1 ZINC000517956412 384596304 /nfs/dbraw/zinc/59/63/04/384596304.db2.gz PWJSDSDXWZNBRS-PWSUYJOCSA-N 2 2 249.362 0.854 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnc(N(C)C)nc1 ZINC000517956412 384596310 /nfs/dbraw/zinc/59/63/10/384596310.db2.gz PWJSDSDXWZNBRS-PWSUYJOCSA-N 2 2 249.362 0.854 20 0 BCADLP C[C@@H]1OCC[N@H+](CCn2cc[nH+]c2)[C@H]1C ZINC000162281209 384596795 /nfs/dbraw/zinc/59/67/95/384596795.db2.gz SPIDKFMSBCAZPH-QWRGUYRKSA-N 2 2 209.293 0.992 20 0 BCADLP C[C@@H]1OCC[N@@H+](CCn2cc[nH+]c2)[C@H]1C ZINC000162281209 384596799 /nfs/dbraw/zinc/59/67/99/384596799.db2.gz SPIDKFMSBCAZPH-QWRGUYRKSA-N 2 2 209.293 0.992 20 0 BCADLP CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cnn(C)c1 ZINC000154247855 384597457 /nfs/dbraw/zinc/59/74/57/384597457.db2.gz SATAKMOHDQYRBV-NWDGAFQWSA-N 2 2 240.351 0.383 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647534419 384645988 /nfs/dbraw/zinc/64/59/88/384645988.db2.gz NICGXMVXYMUGEJ-CMPLNLGQSA-N 2 2 220.320 0.604 20 0 BCADLP CC(C)[C@H]([NH3+])C(=O)NCCCCn1cc[nH+]c1 ZINC000045109164 384662670 /nfs/dbraw/zinc/66/26/70/384662670.db2.gz ZZPJVGCFLDVWCL-NSHDSACASA-N 2 2 238.335 0.763 20 0 BCADLP CNC(=O)C[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316071350 384726017 /nfs/dbraw/zinc/72/60/17/384726017.db2.gz HOCCZSYDAOKOPR-AEJSXWLSSA-N 2 2 213.325 0.180 20 0 BCADLP CNC(=O)C[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316071350 384726025 /nfs/dbraw/zinc/72/60/25/384726025.db2.gz HOCCZSYDAOKOPR-AEJSXWLSSA-N 2 2 213.325 0.180 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cncn1C ZINC000082394239 384680400 /nfs/dbraw/zinc/68/04/00/384680400.db2.gz BHUZDXAKIJBOEE-SNVBAGLBSA-N 2 2 219.292 0.795 20 0 BCADLP COC1CC[NH+](CC[NH2+][C@H]2CO[C@H](C)C2)CC1 ZINC000647190079 384692892 /nfs/dbraw/zinc/69/28/92/384692892.db2.gz HGRARPVWLCRUDC-VXGBXAGGSA-N 2 2 242.363 0.864 20 0 BCADLP C[C@]1(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC[NH2+]C1 ZINC000647542284 384705962 /nfs/dbraw/zinc/70/59/62/384705962.db2.gz DRFHPAFWENVEOJ-UPJWGTAASA-N 3 2 223.364 0.670 20 0 BCADLP C[C@]1(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC[NH2+]C1 ZINC000647542284 384705970 /nfs/dbraw/zinc/70/59/70/384705970.db2.gz DRFHPAFWENVEOJ-UPJWGTAASA-N 3 2 223.364 0.670 20 0 BCADLP CC[N@H+](C)CC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000309914302 384708464 /nfs/dbraw/zinc/70/84/64/384708464.db2.gz OKJNNYUYXLIYSC-JTQLQIEISA-N 2 2 227.352 0.585 20 0 BCADLP CC[N@@H+](C)CC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000309914302 384708472 /nfs/dbraw/zinc/70/84/72/384708472.db2.gz OKJNNYUYXLIYSC-JTQLQIEISA-N 2 2 227.352 0.585 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866293 384711430 /nfs/dbraw/zinc/71/14/30/384711430.db2.gz YDAFJGHUTLTTHT-DTWKUNHWSA-N 2 2 222.292 0.083 20 0 BCADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866293 384711438 /nfs/dbraw/zinc/71/14/38/384711438.db2.gz YDAFJGHUTLTTHT-DTWKUNHWSA-N 2 2 222.292 0.083 20 0 BCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cncs1 ZINC000125890968 384719673 /nfs/dbraw/zinc/71/96/73/384719673.db2.gz ORZXNJFHSJQADH-SNVBAGLBSA-N 2 2 229.349 0.545 20 0 BCADLP CC[C@@H]([NH2+]CC[NH+](C)C)[C@H]1CCOC1 ZINC000308509771 384775012 /nfs/dbraw/zinc/77/50/12/384775012.db2.gz BLXSDKJLDMGYTG-WDEREUQCSA-N 2 2 200.326 0.953 20 0 BCADLP CCC(CC)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613578 384776728 /nfs/dbraw/zinc/77/67/28/384776728.db2.gz DNTXEFBVZUFGRW-NSHDSACASA-N 2 2 227.352 0.524 20 0 BCADLP CCC(CC)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613578 384776737 /nfs/dbraw/zinc/77/67/37/384776737.db2.gz DNTXEFBVZUFGRW-NSHDSACASA-N 2 2 227.352 0.524 20 0 BCADLP COC[C@H](C)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000308513686 384778842 /nfs/dbraw/zinc/77/88/42/384778842.db2.gz LTOHJJHVQXVWAF-MXWKQRLJSA-N 2 2 200.326 0.809 20 0 BCADLP COC[C@H](C)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000308513686 384778850 /nfs/dbraw/zinc/77/88/50/384778850.db2.gz LTOHJJHVQXVWAF-MXWKQRLJSA-N 2 2 200.326 0.809 20 0 BCADLP [NH3+]CC(F)(F)CN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647546935 384733532 /nfs/dbraw/zinc/73/35/32/384733532.db2.gz HSYGLADDCXFRBI-LPEHRKFASA-N 2 2 233.306 0.558 20 0 BCADLP CC(C)N1CC[C@H]([NH2+][C@H]2C[NH2+]C[C@@H](C)C2)C1=O ZINC000647549797 384746546 /nfs/dbraw/zinc/74/65/46/384746546.db2.gz RABVJVMFTKLZOL-TUAOUCFPSA-N 2 2 239.363 0.583 20 0 BCADLP COCC[C@H](COC)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000309969594 384747156 /nfs/dbraw/zinc/74/71/56/384747156.db2.gz OTOLGKZMRSXSTK-TUAOUCFPSA-N 2 2 230.352 0.578 20 0 BCADLP COCC[C@H](COC)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000309969594 384747163 /nfs/dbraw/zinc/74/71/63/384747163.db2.gz OTOLGKZMRSXSTK-TUAOUCFPSA-N 2 2 230.352 0.578 20 0 BCADLP COCC[C@H](COC)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000309969596 384747428 /nfs/dbraw/zinc/74/74/28/384747428.db2.gz OTOLGKZMRSXSTK-UTUOFQBUSA-N 2 2 230.352 0.578 20 0 BCADLP COCC[C@H](COC)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000309969596 384747436 /nfs/dbraw/zinc/74/74/36/384747436.db2.gz OTOLGKZMRSXSTK-UTUOFQBUSA-N 2 2 230.352 0.578 20 0 BCADLP Cc1ccoc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000309969668 384748260 /nfs/dbraw/zinc/74/82/60/384748260.db2.gz OULXJOSEBBSBSK-LBPRGKRZSA-N 2 2 224.304 0.744 20 0 BCADLP Cc1ccoc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000309969668 384748265 /nfs/dbraw/zinc/74/82/65/384748265.db2.gz OULXJOSEBBSBSK-LBPRGKRZSA-N 2 2 224.304 0.744 20 0 BCADLP C1[C@H]([NH2+][C@H]2CCC[NH2+]C2)C12CC[NH2+]CC2 ZINC000647547875 384750481 /nfs/dbraw/zinc/75/04/81/384750481.db2.gz JURPRBZPELXCIE-QWRGUYRKSA-N 3 2 209.337 0.470 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000647552608 384761477 /nfs/dbraw/zinc/76/14/77/384761477.db2.gz LHEYNBMVNFWIKD-JTQLQIEISA-N 2 2 235.335 0.700 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000647552608 384761485 /nfs/dbraw/zinc/76/14/85/384761485.db2.gz LHEYNBMVNFWIKD-JTQLQIEISA-N 2 2 235.335 0.700 20 0 BCADLP Cc1ccn2cc(CNC(=O)C(C)(C)[NH3+])[nH+]c2c1 ZINC000083909190 384815463 /nfs/dbraw/zinc/81/54/63/384815463.db2.gz ZEONBGAJQMOMTC-UHFFFAOYSA-N 2 2 246.314 0.996 20 0 BCADLP Cc1ccn2cc(CNC(=O)CC[NH3+])[nH+]c2c1 ZINC000083909193 384815744 /nfs/dbraw/zinc/81/57/44/384815744.db2.gz JHOZKBFCOWBQCO-UHFFFAOYSA-N 2 2 232.287 0.608 20 0 BCADLP Cc1noc(CCC[N@@H+]2CCC[NH2+]CC2)n1 ZINC000518188057 384783477 /nfs/dbraw/zinc/78/34/77/384783477.db2.gz VZPDKEAAHVDQBZ-UHFFFAOYSA-N 2 2 224.308 0.606 20 0 BCADLP Cc1noc(CCC[N@H+]2CCC[NH2+]CC2)n1 ZINC000518188057 384783482 /nfs/dbraw/zinc/78/34/82/384783482.db2.gz VZPDKEAAHVDQBZ-UHFFFAOYSA-N 2 2 224.308 0.606 20 0 BCADLP C[C@@H](C[S@@](C)=O)[N@H+](C)CCCn1cc[nH+]c1 ZINC000126291031 384789444 /nfs/dbraw/zinc/78/94/44/384789444.db2.gz LJQXTUMPDGEZNJ-ZBEGNZNMSA-N 2 2 243.376 0.972 20 0 BCADLP C[C@@H](C[S@@](C)=O)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000126291031 384789450 /nfs/dbraw/zinc/78/94/50/384789450.db2.gz LJQXTUMPDGEZNJ-ZBEGNZNMSA-N 2 2 243.376 0.972 20 0 BCADLP Cn1cc(C[N@H+](C)[C@H](C[NH3+])C2CC2)cn1 ZINC000042488741 384807150 /nfs/dbraw/zinc/80/71/50/384807150.db2.gz QVJPSGNMTCIRIN-LLVKDONJSA-N 2 2 208.309 0.589 20 0 BCADLP Cn1cc(C[N@@H+](C)[C@H](C[NH3+])C2CC2)cn1 ZINC000042488741 384807158 /nfs/dbraw/zinc/80/71/58/384807158.db2.gz QVJPSGNMTCIRIN-LLVKDONJSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@@H]([NH3+])C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000083883836 384808215 /nfs/dbraw/zinc/80/82/15/384808215.db2.gz FHMBTBDKOGGOOX-SECBINFHSA-N 2 2 232.287 0.340 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000398121778 384812256 /nfs/dbraw/zinc/81/22/56/384812256.db2.gz GXABBRJFVADNEY-YVECIDJPSA-N 2 2 242.363 0.911 20 0 BCADLP Cc1ccn2cc(CNC(=O)[C@@H](C)[NH3+])[nH+]c2c1 ZINC000083909187 384814790 /nfs/dbraw/zinc/81/47/90/384814790.db2.gz QELOCOXEIBVQLQ-SECBINFHSA-N 2 2 232.287 0.606 20 0 BCADLP C[C@H](CNCc1[nH+]ccn1C)[N@H+](C)C1CC1 ZINC000163903433 384874063 /nfs/dbraw/zinc/87/40/63/384874063.db2.gz LKDFBLYHKRINAQ-SNVBAGLBSA-N 2 2 222.336 0.992 20 0 BCADLP C[C@H](CNCc1[nH+]ccn1C)[N@@H+](C)C1CC1 ZINC000163903433 384874066 /nfs/dbraw/zinc/87/40/66/384874066.db2.gz LKDFBLYHKRINAQ-SNVBAGLBSA-N 2 2 222.336 0.992 20 0 BCADLP CN(CC[N@H+](C)C1CC1)Cc1[nH]cc[nH+]1 ZINC000186757562 384875690 /nfs/dbraw/zinc/87/56/90/384875690.db2.gz XAGPPSGUTYMPPB-UHFFFAOYSA-N 2 2 208.309 0.936 20 0 BCADLP CN(CC[N@@H+](C)C1CC1)Cc1[nH]cc[nH+]1 ZINC000186757562 384875696 /nfs/dbraw/zinc/87/56/96/384875696.db2.gz XAGPPSGUTYMPPB-UHFFFAOYSA-N 2 2 208.309 0.936 20 0 BCADLP CCCC[C@@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000305956489 384879405 /nfs/dbraw/zinc/87/94/05/384879405.db2.gz DRMSBEHBUBSLAQ-VXGBXAGGSA-N 2 2 241.379 0.914 20 0 BCADLP CCC[C@H](O)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000308630908 384880062 /nfs/dbraw/zinc/88/00/62/384880062.db2.gz YVVRQMKAFIHPPU-DCAQKATOSA-N 2 2 200.326 0.687 20 0 BCADLP CCC[C@H](O)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000308630908 384880066 /nfs/dbraw/zinc/88/00/66/384880066.db2.gz YVVRQMKAFIHPPU-DCAQKATOSA-N 2 2 200.326 0.687 20 0 BCADLP Cc1cc(NC(=O)C2(C)C[NH2+]C2)cc[nH+]1 ZINC000335193925 384849389 /nfs/dbraw/zinc/84/93/89/384849389.db2.gz MKPZLCDCPFKGLJ-UHFFFAOYSA-N 2 2 205.261 0.360 20 0 BCADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000314206901 384859952 /nfs/dbraw/zinc/85/99/52/384859952.db2.gz QJHQQPUQNHNUEG-LBPRGKRZSA-N 2 2 230.352 0.194 20 0 BCADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@](O)(CO)C1 ZINC000314206901 384859956 /nfs/dbraw/zinc/85/99/56/384859956.db2.gz QJHQQPUQNHNUEG-LBPRGKRZSA-N 2 2 230.352 0.194 20 0 BCADLP C[C@H](CNCc1c[nH+]cn1C)[N@H+](C)C1CC1 ZINC000105487855 384869572 /nfs/dbraw/zinc/86/95/72/384869572.db2.gz XLTONMVUAYOYOX-SNVBAGLBSA-N 2 2 222.336 0.992 20 0 BCADLP C[C@H](CNCc1c[nH+]cn1C)[N@@H+](C)C1CC1 ZINC000105487855 384869580 /nfs/dbraw/zinc/86/95/80/384869580.db2.gz XLTONMVUAYOYOX-SNVBAGLBSA-N 2 2 222.336 0.992 20 0 BCADLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000644547756 384950280 /nfs/dbraw/zinc/95/02/80/384950280.db2.gz OQWBFYXSOSNDAY-RKDXNWHRSA-N 2 2 240.269 0.984 20 0 BCADLP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000644547756 384950285 /nfs/dbraw/zinc/95/02/85/384950285.db2.gz OQWBFYXSOSNDAY-RKDXNWHRSA-N 2 2 240.269 0.984 20 0 BCADLP Fc1ccccc1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000258973353 384955118 /nfs/dbraw/zinc/95/51/18/384955118.db2.gz TYHSYIFJVMMDQV-NSHDSACASA-N 2 2 224.279 0.904 20 0 BCADLP CN(CC[NH3+])c1cc(N2CCCCC2)[nH+]cn1 ZINC000259005568 384955603 /nfs/dbraw/zinc/95/56/03/384955603.db2.gz QRROAZVWOIFVFM-UHFFFAOYSA-N 2 2 235.335 0.862 20 0 BCADLP COc1ccccc1C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000259018742 384955637 /nfs/dbraw/zinc/95/56/37/384955637.db2.gz YEWWRCLJHBJKIQ-CYBMUJFWSA-N 2 2 249.358 0.688 20 0 BCADLP Cn1cnnc1[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000156640186 384904446 /nfs/dbraw/zinc/90/44/46/384904446.db2.gz VIAIPYIZJHRXGP-NSHDSACASA-N 2 2 246.318 0.849 20 0 BCADLP Cn1cnnc1[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000156640186 384904453 /nfs/dbraw/zinc/90/44/53/384904453.db2.gz VIAIPYIZJHRXGP-NSHDSACASA-N 2 2 246.318 0.849 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CO[C@H](C)C1 ZINC000647202649 384905710 /nfs/dbraw/zinc/90/57/10/384905710.db2.gz JLGJXBQSOWYYJN-MNOVXSKESA-N 2 2 216.325 0.068 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CO[C@H](C)C1 ZINC000647202649 384905713 /nfs/dbraw/zinc/90/57/13/384905713.db2.gz JLGJXBQSOWYYJN-MNOVXSKESA-N 2 2 216.325 0.068 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000257771574 384929242 /nfs/dbraw/zinc/92/92/42/384929242.db2.gz CTJGRTAFXXCYPU-LLVKDONJSA-N 2 2 227.352 0.442 20 0 BCADLP C[NH2+]CCC[N@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000257771574 384929249 /nfs/dbraw/zinc/92/92/49/384929249.db2.gz CTJGRTAFXXCYPU-LLVKDONJSA-N 2 2 227.352 0.442 20 0 BCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CC(=O)N(C)C)[C@@H]1C ZINC000316300275 384933370 /nfs/dbraw/zinc/93/33/70/384933370.db2.gz VUNAHPMBQXCACH-MXWKQRLJSA-N 2 2 227.352 0.522 20 0 BCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CC(=O)N(C)C)[C@@H]1C ZINC000316300275 384933379 /nfs/dbraw/zinc/93/33/79/384933379.db2.gz VUNAHPMBQXCACH-MXWKQRLJSA-N 2 2 227.352 0.522 20 0 BCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CC(=O)N(C)C)[C@H]1C ZINC000316300280 384935247 /nfs/dbraw/zinc/93/52/47/384935247.db2.gz VUNAHPMBQXCACH-VWYCJHECSA-N 2 2 227.352 0.522 20 0 BCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CC(=O)N(C)C)[C@H]1C ZINC000316300280 384935254 /nfs/dbraw/zinc/93/52/54/384935254.db2.gz VUNAHPMBQXCACH-VWYCJHECSA-N 2 2 227.352 0.522 20 0 BCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CC(=O)N(C)C)[C@H]1C ZINC000316300277 384935308 /nfs/dbraw/zinc/93/53/08/384935308.db2.gz VUNAHPMBQXCACH-OUAUKWLOSA-N 2 2 227.352 0.522 20 0 BCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CC(=O)N(C)C)[C@H]1C ZINC000316300277 384935314 /nfs/dbraw/zinc/93/53/14/384935314.db2.gz VUNAHPMBQXCACH-OUAUKWLOSA-N 2 2 227.352 0.522 20 0 BCADLP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H]1CCOC1 ZINC000310280994 384939957 /nfs/dbraw/zinc/93/99/57/384939957.db2.gz POHDBYPEHLQMCF-QWHCGFSZSA-N 2 2 242.363 0.552 20 0 BCADLP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H]1CCOC1 ZINC000310280994 384939962 /nfs/dbraw/zinc/93/99/62/384939962.db2.gz POHDBYPEHLQMCF-QWHCGFSZSA-N 2 2 242.363 0.552 20 0 BCADLP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CCOC1 ZINC000310280994 384939967 /nfs/dbraw/zinc/93/99/67/384939967.db2.gz POHDBYPEHLQMCF-QWHCGFSZSA-N 2 2 242.363 0.552 20 0 BCADLP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CCOC1 ZINC000310280994 384939971 /nfs/dbraw/zinc/93/99/71/384939971.db2.gz POHDBYPEHLQMCF-QWHCGFSZSA-N 2 2 242.363 0.552 20 0 BCADLP COc1ccccc1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000258886835 384944830 /nfs/dbraw/zinc/94/48/30/384944830.db2.gz JQDOUWIXTRAPHI-LBPRGKRZSA-N 2 2 236.315 0.773 20 0 BCADLP COc1cccc(C[NH2+]C[C@H]2C[NH2+]CCO2)c1 ZINC000258856521 384947901 /nfs/dbraw/zinc/94/79/01/384947901.db2.gz GORATHLWMGHIBN-CYBMUJFWSA-N 2 2 236.315 0.773 20 0 BCADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](C)O ZINC000644569414 384965706 /nfs/dbraw/zinc/96/57/06/384965706.db2.gz OFSASFPVSQLOER-QWRGUYRKSA-N 2 2 200.326 0.831 20 0 BCADLP C[NH+](C)[C@@H]1CCC[N@@H+]([C@H]2CCCNC2=O)CC1 ZINC000336292189 384967154 /nfs/dbraw/zinc/96/71/54/384967154.db2.gz IYXSYFSGHKIICK-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP C[NH+](C)[C@@H]1CCC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC000336292189 384967160 /nfs/dbraw/zinc/96/71/60/384967160.db2.gz IYXSYFSGHKIICK-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP O[C@@H](C[NH2+]Cc1ccns1)C[NH+]1CCCC1 ZINC000404452728 385000131 /nfs/dbraw/zinc/00/01/31/385000131.db2.gz ZOZBAKNXVKCNKH-JTQLQIEISA-N 2 2 241.360 0.689 20 0 BCADLP Nc1[nH+]cnc(N2CC[NH2+]CC2)c1Cl ZINC000307397450 385010688 /nfs/dbraw/zinc/01/06/88/385010688.db2.gz QZXYKKJUUKYUNV-UHFFFAOYSA-N 2 2 213.672 0.122 20 0 BCADLP CC[C@@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000644625729 385020195 /nfs/dbraw/zinc/02/01/95/385020195.db2.gz NPUZOLGMJPBRSE-VHSXEESVSA-N 2 2 209.293 0.558 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(F)C1 ZINC000518394819 385047588 /nfs/dbraw/zinc/04/75/88/385047588.db2.gz ZNTMUWDKUYLAFU-VXGBXAGGSA-N 2 2 248.342 0.359 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(F)C1 ZINC000518394819 385047596 /nfs/dbraw/zinc/04/75/96/385047596.db2.gz ZNTMUWDKUYLAFU-VXGBXAGGSA-N 2 2 248.342 0.359 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000518394819 385047600 /nfs/dbraw/zinc/04/76/00/385047600.db2.gz ZNTMUWDKUYLAFU-VXGBXAGGSA-N 2 2 248.342 0.359 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000518394819 385047605 /nfs/dbraw/zinc/04/76/05/385047605.db2.gz ZNTMUWDKUYLAFU-VXGBXAGGSA-N 2 2 248.342 0.359 20 0 BCADLP CC[C@H](COC)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000308742476 385049588 /nfs/dbraw/zinc/04/95/88/385049588.db2.gz PPSNIRCWDPVQPC-HBNTYKKESA-N 2 2 200.326 0.951 20 0 BCADLP CC[C@H](COC)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000308742476 385049593 /nfs/dbraw/zinc/04/95/93/385049593.db2.gz PPSNIRCWDPVQPC-HBNTYKKESA-N 2 2 200.326 0.951 20 0 BCADLP CO[C@@H]1CC[C@H]([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000234964305 385055902 /nfs/dbraw/zinc/05/59/02/385055902.db2.gz FWNKIELNTJIDNE-WUHRBBMRSA-N 2 2 242.363 0.911 20 0 BCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000646917064 385057450 /nfs/dbraw/zinc/05/74/50/385057450.db2.gz WKHLLVBLRHAPJR-ZYHUDNBSSA-N 2 2 248.330 0.125 20 0 BCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000646917064 385057455 /nfs/dbraw/zinc/05/74/55/385057455.db2.gz WKHLLVBLRHAPJR-ZYHUDNBSSA-N 2 2 248.330 0.125 20 0 BCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000646914296 385064157 /nfs/dbraw/zinc/06/41/57/385064157.db2.gz UTHHVEWBRFEOQM-CMPLNLGQSA-N 2 2 248.330 0.505 20 0 BCADLP C[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000646914296 385064164 /nfs/dbraw/zinc/06/41/64/385064164.db2.gz UTHHVEWBRFEOQM-CMPLNLGQSA-N 2 2 248.330 0.505 20 0 BCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000646914296 385064168 /nfs/dbraw/zinc/06/41/68/385064168.db2.gz UTHHVEWBRFEOQM-CMPLNLGQSA-N 2 2 248.330 0.505 20 0 BCADLP C[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000646914296 385064172 /nfs/dbraw/zinc/06/41/72/385064172.db2.gz UTHHVEWBRFEOQM-CMPLNLGQSA-N 2 2 248.330 0.505 20 0 BCADLP C[N@@H+]1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC000646914095 385066014 /nfs/dbraw/zinc/06/60/14/385066014.db2.gz PKPDKXBRGWVOSO-GHMZBOCLSA-N 2 2 234.303 0.046 20 0 BCADLP C[N@H+]1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC000646914095 385066022 /nfs/dbraw/zinc/06/60/22/385066022.db2.gz PKPDKXBRGWVOSO-GHMZBOCLSA-N 2 2 234.303 0.046 20 0 BCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000646940988 385069256 /nfs/dbraw/zinc/06/92/56/385069256.db2.gz RALRRKPYDOESDQ-QWRGUYRKSA-N 2 2 248.330 0.505 20 0 BCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000646940988 385069262 /nfs/dbraw/zinc/06/92/62/385069262.db2.gz RALRRKPYDOESDQ-QWRGUYRKSA-N 2 2 248.330 0.505 20 0 BCADLP Cc1noc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000226927361 385072095 /nfs/dbraw/zinc/07/20/95/385072095.db2.gz VGOVBHPIGXAUAA-WPRPVWTQSA-N 2 2 224.308 0.937 20 0 BCADLP Cc1noc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000226927361 385072097 /nfs/dbraw/zinc/07/20/97/385072097.db2.gz VGOVBHPIGXAUAA-WPRPVWTQSA-N 2 2 224.308 0.937 20 0 BCADLP C[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1 ZINC000053204224 385076908 /nfs/dbraw/zinc/07/69/08/385076908.db2.gz ZEAMAFNCQLTDIU-SNVBAGLBSA-N 2 2 208.309 0.604 20 0 BCADLP C[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1 ZINC000053204225 385078734 /nfs/dbraw/zinc/07/87/34/385078734.db2.gz ZEAMAFNCQLTDIU-JTQLQIEISA-N 2 2 208.309 0.604 20 0 BCADLP c1c[nH+]c(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)[nH]1 ZINC000404585954 385033019 /nfs/dbraw/zinc/03/30/19/385033019.db2.gz DBKAUTSYABVBJR-SECBINFHSA-N 2 2 232.291 0.517 20 0 BCADLP C[C@H](CC(=O)N[C@@H](C[NH3+])C1CC1)n1cc[nH+]c1 ZINC000518390771 385041304 /nfs/dbraw/zinc/04/13/04/385041304.db2.gz HBDLCWRCVUQHLT-KOLCDFICSA-N 2 2 236.319 0.688 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+]1CC=CCC1 ZINC000516661908 385112958 /nfs/dbraw/zinc/11/29/58/385112958.db2.gz QEHKGBXGXWJKCX-UHFFFAOYSA-N 2 2 248.330 0.639 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+]1CC=CCC1 ZINC000516661908 385112969 /nfs/dbraw/zinc/11/29/69/385112969.db2.gz QEHKGBXGXWJKCX-UHFFFAOYSA-N 2 2 248.330 0.639 20 0 BCADLP C[N@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC000557698336 385090568 /nfs/dbraw/zinc/09/05/68/385090568.db2.gz GMZMKWGMCRJVEU-UHFFFAOYSA-N 2 2 234.303 0.261 20 0 BCADLP C[N@@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC000557698336 385090576 /nfs/dbraw/zinc/09/05/76/385090576.db2.gz GMZMKWGMCRJVEU-UHFFFAOYSA-N 2 2 234.303 0.261 20 0 BCADLP Cn1cnnc1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000404841014 385104833 /nfs/dbraw/zinc/10/48/33/385104833.db2.gz NELSMBKLADODNO-HTQZYQBOSA-N 2 2 209.297 0.031 20 0 BCADLP [NH3+]Cc1ccc(C(=O)NCC(F)(F)C[NH3+])o1 ZINC000646976427 385106926 /nfs/dbraw/zinc/10/69/26/385106926.db2.gz ZSTXZFVYLJUXJZ-UHFFFAOYSA-N 2 2 233.218 0.062 20 0 BCADLP CC1(C)[C@@H](O)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000308818706 385188835 /nfs/dbraw/zinc/18/88/35/385188835.db2.gz FVSQWEJOLIDPFP-JTQLQIEISA-N 2 2 209.293 0.728 20 0 BCADLP CC1(C)[C@@H](O)CC[N@H+]1CCn1cc[nH+]c1 ZINC000308818706 385188839 /nfs/dbraw/zinc/18/88/39/385188839.db2.gz FVSQWEJOLIDPFP-JTQLQIEISA-N 2 2 209.293 0.728 20 0 BCADLP C[C@@H]([NH3+])CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000647021695 385152900 /nfs/dbraw/zinc/15/29/00/385152900.db2.gz YXCKBTRAGPUJSC-MRVPVSSYSA-N 2 2 249.305 0.427 20 0 BCADLP C1CC1[C@H]([NH2+][C@@H]1CC12CC2)[C@@H]1C[NH2+]CCO1 ZINC000424373307 385153423 /nfs/dbraw/zinc/15/34/23/385153423.db2.gz JMTGGJDNARKKMK-TUAOUCFPSA-N 2 2 222.332 0.896 20 0 BCADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-n2cncn2)C1 ZINC000647481195 385175794 /nfs/dbraw/zinc/17/57/94/385175794.db2.gz RFXHJRNTXXYDSS-GFCCVEGCSA-N 2 2 243.314 0.800 20 0 BCADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-n2cncn2)C1 ZINC000647481195 385175796 /nfs/dbraw/zinc/17/57/96/385175796.db2.gz RFXHJRNTXXYDSS-GFCCVEGCSA-N 2 2 243.314 0.800 20 0 BCADLP Cn1nncc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647483074 385206999 /nfs/dbraw/zinc/20/69/99/385206999.db2.gz XADNQAKVYWTFKW-UHFFFAOYSA-N 2 2 235.335 0.532 20 0 BCADLP Cn1nncc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647483074 385207003 /nfs/dbraw/zinc/20/70/03/385207003.db2.gz XADNQAKVYWTFKW-UHFFFAOYSA-N 2 2 235.335 0.532 20 0 BCADLP C[C@@H](CO)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000308840845 385213806 /nfs/dbraw/zinc/21/38/06/385213806.db2.gz JYZNSMHGWSHDCT-QMMMGPOBSA-N 2 2 229.349 0.675 20 0 BCADLP Cc1cc(C[N@H+](C)C2CC[NH2+]CC2)nn1C ZINC000647484031 385225437 /nfs/dbraw/zinc/22/54/37/385225437.db2.gz MDKVIRLZSYUXKJ-UHFFFAOYSA-N 2 2 222.336 0.912 20 0 BCADLP Cc1cc(C[N@@H+](C)C2CC[NH2+]CC2)nn1C ZINC000647484031 385225439 /nfs/dbraw/zinc/22/54/39/385225439.db2.gz MDKVIRLZSYUXKJ-UHFFFAOYSA-N 2 2 222.336 0.912 20 0 BCADLP CC[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000167455370 385315877 /nfs/dbraw/zinc/31/58/77/385315877.db2.gz FDTUFZJAQZFWJE-WDEREUQCSA-N 2 2 227.352 0.714 20 0 BCADLP CC[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000167455370 385315883 /nfs/dbraw/zinc/31/58/83/385315883.db2.gz FDTUFZJAQZFWJE-WDEREUQCSA-N 2 2 227.352 0.714 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316642460 385316228 /nfs/dbraw/zinc/31/62/28/385316228.db2.gz GFHMSSUMMOSPDO-SRVKXCTJSA-N 2 2 241.379 0.959 20 0 BCADLP CC(C)NC(=O)C[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316642460 385316232 /nfs/dbraw/zinc/31/62/32/385316232.db2.gz GFHMSSUMMOSPDO-SRVKXCTJSA-N 2 2 241.379 0.959 20 0 BCADLP COC[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C)OC ZINC000308904082 385277387 /nfs/dbraw/zinc/27/73/87/385277387.db2.gz CBPFIWVYMCXVSH-DCAQKATOSA-N 2 2 216.325 0.188 20 0 BCADLP COC[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)OC ZINC000308904082 385277393 /nfs/dbraw/zinc/27/73/93/385277393.db2.gz CBPFIWVYMCXVSH-DCAQKATOSA-N 2 2 216.325 0.188 20 0 BCADLP CC(C)(C)[C@@H]([NH2+]Cc1c[nH+]c[nH]1)C(N)=O ZINC000280276044 385288957 /nfs/dbraw/zinc/28/89/57/385288957.db2.gz RRDZEDHSKYNQAW-QMMMGPOBSA-N 2 2 210.281 0.399 20 0 BCADLP C[C@@H](C[S@](C)=O)[N@H+](C)C1CC[NH+](C)CC1 ZINC000131000291 385298672 /nfs/dbraw/zinc/29/86/72/385298672.db2.gz VYSXLUYOSYKENK-ZUZCIYMTSA-N 2 2 232.393 0.779 20 0 BCADLP C[C@@H](C[S@](C)=O)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000131000291 385298677 /nfs/dbraw/zinc/29/86/77/385298677.db2.gz VYSXLUYOSYKENK-ZUZCIYMTSA-N 2 2 232.393 0.779 20 0 BCADLP [NH3+]C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)C1CC1 ZINC000178168126 385341969 /nfs/dbraw/zinc/34/19/69/385341969.db2.gz SQXCTLIONLPBRK-LLVKDONJSA-N 2 2 244.298 0.801 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000192100023 385343667 /nfs/dbraw/zinc/34/36/67/385343667.db2.gz PGYBTHAQZFBGMK-OUAUKWLOSA-N 2 2 238.335 0.619 20 0 BCADLP C[NH+](C)C/C=C/C(=O)N[C@H]1CCc2[nH+]ccn2C1 ZINC000364332874 385359629 /nfs/dbraw/zinc/35/96/29/385359629.db2.gz ZBHMEJKSDBIWHS-UFFNRZRYSA-N 2 2 248.330 0.432 20 0 BCADLP C[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)Cn1cc[nH+]c1 ZINC000165585712 385403074 /nfs/dbraw/zinc/40/30/74/385403074.db2.gz IKRBXLFKVPZUMO-MNOVXSKESA-N 2 2 236.319 0.387 20 0 BCADLP c1cn(CC[N@@H+]2CCOC[C@@]23CCOC3)c[nH+]1 ZINC000193668794 385407263 /nfs/dbraw/zinc/40/72/63/385407263.db2.gz DVTRCAQKLXODBH-LBPRGKRZSA-N 2 2 237.303 0.374 20 0 BCADLP c1cn(CC[N@H+]2CCOC[C@@]23CCOC3)c[nH+]1 ZINC000193668794 385407267 /nfs/dbraw/zinc/40/72/67/385407267.db2.gz DVTRCAQKLXODBH-LBPRGKRZSA-N 2 2 237.303 0.374 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)CC[N@@H+]1C ZINC000155852921 385418940 /nfs/dbraw/zinc/41/89/40/385418940.db2.gz NVGCPYRMTYIQKV-GXSJLCMTSA-N 2 2 225.336 0.337 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)CC[N@H+]1C ZINC000155852921 385418947 /nfs/dbraw/zinc/41/89/47/385418947.db2.gz NVGCPYRMTYIQKV-GXSJLCMTSA-N 2 2 225.336 0.337 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360817078 385420031 /nfs/dbraw/zinc/42/00/31/385420031.db2.gz LRQFHYHRUDGROH-XHNCKOQMSA-N 2 2 247.289 0.227 20 0 BCADLP CO[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000179243468 385454673 /nfs/dbraw/zinc/45/46/73/385454673.db2.gz POGHWGWQRRWFAN-LLVKDONJSA-N 2 2 209.293 0.994 20 0 BCADLP CO[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000179243468 385454678 /nfs/dbraw/zinc/45/46/78/385454678.db2.gz POGHWGWQRRWFAN-LLVKDONJSA-N 2 2 209.293 0.994 20 0 BCADLP COC(=O)C[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000179475337 385466893 /nfs/dbraw/zinc/46/68/93/385466893.db2.gz DBWLEFWHZYAFAU-LLVKDONJSA-N 2 2 237.303 0.911 20 0 BCADLP COC(=O)C[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000179475337 385466897 /nfs/dbraw/zinc/46/68/97/385466897.db2.gz DBWLEFWHZYAFAU-LLVKDONJSA-N 2 2 237.303 0.911 20 0 BCADLP COC(=O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000179502623 385469635 /nfs/dbraw/zinc/46/96/35/385469635.db2.gz NTXJXLWAIJRVKU-UHFFFAOYSA-N 2 2 225.292 0.686 20 0 BCADLP COC(=O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000179502623 385469640 /nfs/dbraw/zinc/46/96/40/385469640.db2.gz NTXJXLWAIJRVKU-UHFFFAOYSA-N 2 2 225.292 0.686 20 0 BCADLP CCC[C@H]1C(=O)NCC[N@H+]1CCn1cc[nH+]c1 ZINC000179529688 385470767 /nfs/dbraw/zinc/47/07/67/385470767.db2.gz NSGLGMBMMCCRJY-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP CCC[C@H]1C(=O)NCC[N@@H+]1CCn1cc[nH+]c1 ZINC000179529688 385470772 /nfs/dbraw/zinc/47/07/72/385470772.db2.gz NSGLGMBMMCCRJY-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP Cc1nc(N2CC[C@H](N3CC[NH2+]CC3)C2)cc[nH+]1 ZINC000257697640 385488630 /nfs/dbraw/zinc/48/86/30/385488630.db2.gz KNDKBYNTTAECKY-LBPRGKRZSA-N 2 2 247.346 0.269 20 0 BCADLP CC[C@](C)([NH2+]CCCn1cc[nH+]c1)C(N)=O ZINC000182943744 385492528 /nfs/dbraw/zinc/49/25/28/385492528.db2.gz NFBFDNAZKUTIRX-NSHDSACASA-N 2 2 224.308 0.517 20 0 BCADLP Nc1[nH+]cnc(N2CCC[C@H]([NH3+])C2)c1Cl ZINC000642986977 385492661 /nfs/dbraw/zinc/49/26/61/385492661.db2.gz YPLOPHNYNDWZGS-LURJTMIESA-N 2 2 227.699 0.640 20 0 BCADLP C[C@@H](C(=O)N(C)C)[NH+]1CCC([NH+](C)C)CC1 ZINC000193806054 385510681 /nfs/dbraw/zinc/51/06/81/385510681.db2.gz OKOZQNQVRITPHK-JTQLQIEISA-N 2 2 227.352 0.489 20 0 BCADLP COC1(C[N@@H+]2CCO[C@H](C[NH3+])C2)CCCC1 ZINC000318967404 385529979 /nfs/dbraw/zinc/52/99/79/385529979.db2.gz DJQBMSGCJZASPR-LLVKDONJSA-N 2 2 228.336 0.605 20 0 BCADLP COC1(C[N@H+]2CCO[C@H](C[NH3+])C2)CCCC1 ZINC000318967404 385529983 /nfs/dbraw/zinc/52/99/83/385529983.db2.gz DJQBMSGCJZASPR-LLVKDONJSA-N 2 2 228.336 0.605 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000336780409 385534346 /nfs/dbraw/zinc/53/43/46/385534346.db2.gz RGDVRNNNDSJHAJ-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000336780409 385534348 /nfs/dbraw/zinc/53/43/48/385534348.db2.gz RGDVRNNNDSJHAJ-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CC[NH2+]1 ZINC000644150424 385545796 /nfs/dbraw/zinc/54/57/96/385545796.db2.gz YYUUNHHCVLVAPS-WDEREUQCSA-N 2 2 246.314 0.138 20 0 BCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CC[NH2+]1 ZINC000644150423 385545916 /nfs/dbraw/zinc/54/59/16/385545916.db2.gz YYUUNHHCVLVAPS-GHMZBOCLSA-N 2 2 246.314 0.138 20 0 BCADLP C[C@@H](C[NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000644150302 385546077 /nfs/dbraw/zinc/54/60/77/385546077.db2.gz FXXUKKOKPFPAOZ-WDEREUQCSA-N 2 2 248.330 0.371 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)CC1(C[NH3+])CC1 ZINC000644153307 385553020 /nfs/dbraw/zinc/55/30/20/385553020.db2.gz HUXVWQARXXMATG-UHFFFAOYSA-N 2 2 236.319 0.508 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644153419 385553675 /nfs/dbraw/zinc/55/36/75/385553675.db2.gz SVDMTYRYDFVRQE-JTQLQIEISA-N 2 2 236.319 0.377 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000309386262 385559685 /nfs/dbraw/zinc/55/96/85/385559685.db2.gz SEOICCAIBVWAQN-CMPLNLGQSA-N 2 2 225.336 0.278 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000309386262 385559689 /nfs/dbraw/zinc/55/96/89/385559689.db2.gz SEOICCAIBVWAQN-CMPLNLGQSA-N 2 2 225.336 0.278 20 0 BCADLP CC[C@@H](C(N)=O)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000309386262 385559691 /nfs/dbraw/zinc/55/96/91/385559691.db2.gz SEOICCAIBVWAQN-CMPLNLGQSA-N 2 2 225.336 0.278 20 0 BCADLP CC[C@@H](C(N)=O)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000309386262 385559693 /nfs/dbraw/zinc/55/96/93/385559693.db2.gz SEOICCAIBVWAQN-CMPLNLGQSA-N 2 2 225.336 0.278 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000309475037 385596744 /nfs/dbraw/zinc/59/67/44/385596744.db2.gz RSYSLWQZFOQACB-GXSJLCMTSA-N 2 2 245.392 0.277 20 0 BCADLP C[NH+]1CCC([NH2+][C@@H](CO)[C@@H]2CCCO2)CC1 ZINC000309468416 385597890 /nfs/dbraw/zinc/59/78/90/385597890.db2.gz QBJUSFKIPFBSGD-RYUDHWBXSA-N 2 2 228.336 0.210 20 0 BCADLP CC(C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000337324857 385599090 /nfs/dbraw/zinc/59/90/90/385599090.db2.gz URPDCGNMJZKKQQ-UHFFFAOYSA-N 2 2 229.368 0.642 20 0 BCADLP CC(C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000337324857 385599093 /nfs/dbraw/zinc/59/90/93/385599093.db2.gz URPDCGNMJZKKQQ-UHFFFAOYSA-N 2 2 229.368 0.642 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280882435 385615036 /nfs/dbraw/zinc/61/50/36/385615036.db2.gz PHKOEYIEKMTSLW-MFKMUULPSA-N 2 2 248.330 0.426 20 0 BCADLP C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@H]1[NH+](C)C ZINC000493755380 385612949 /nfs/dbraw/zinc/61/29/49/385612949.db2.gz LVCGOFJZDIOUFD-XKFHPXPTSA-N 2 2 248.330 0.831 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NCCF ZINC000337563410 385709671 /nfs/dbraw/zinc/70/96/71/385709671.db2.gz WWAUTRGSGFCNCI-GARJFASQSA-N 2 2 245.342 0.533 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)NCCF ZINC000337563410 385709677 /nfs/dbraw/zinc/70/96/77/385709677.db2.gz WWAUTRGSGFCNCI-GARJFASQSA-N 2 2 245.342 0.533 20 0 BCADLP CCOC[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336654806 385740792 /nfs/dbraw/zinc/74/07/92/385740792.db2.gz NABDBWFEXIOSTI-GARJFASQSA-N 2 2 200.326 0.951 20 0 BCADLP CCOC[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336654806 385740794 /nfs/dbraw/zinc/74/07/94/385740794.db2.gz NABDBWFEXIOSTI-GARJFASQSA-N 2 2 200.326 0.951 20 0 BCADLP Fc1cnccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000648385256 385744211 /nfs/dbraw/zinc/74/42/11/385744211.db2.gz VWADECGMCYGBFU-QWRGUYRKSA-N 2 2 221.279 0.872 20 0 BCADLP COC[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000270835817 385750715 /nfs/dbraw/zinc/75/07/15/385750715.db2.gz DUFQWSDOLAWSLH-NSHDSACASA-N 2 2 209.293 0.851 20 0 BCADLP COC[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000270835817 385750720 /nfs/dbraw/zinc/75/07/20/385750720.db2.gz DUFQWSDOLAWSLH-NSHDSACASA-N 2 2 209.293 0.851 20 0 BCADLP CCOC[C@H](C)[NH2+]CC[N@H+](CC)CCO ZINC000186577415 385771114 /nfs/dbraw/zinc/77/11/14/385771114.db2.gz CUJVBCHFOLVQNH-NSHDSACASA-N 2 2 218.341 0.315 20 0 BCADLP CCOC[C@H](C)[NH2+]CC[N@@H+](CC)CCO ZINC000186577415 385771118 /nfs/dbraw/zinc/77/11/18/385771118.db2.gz CUJVBCHFOLVQNH-NSHDSACASA-N 2 2 218.341 0.315 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)COCC(=O)OC)C1 ZINC000414558792 385774061 /nfs/dbraw/zinc/77/40/61/385774061.db2.gz ZOXBBIYOZIEQPZ-WDEREUQCSA-N 2 2 244.335 0.248 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)COCC(=O)OC)C1 ZINC000414558792 385774066 /nfs/dbraw/zinc/77/40/66/385774066.db2.gz ZOXBBIYOZIEQPZ-WDEREUQCSA-N 2 2 244.335 0.248 20 0 BCADLP CNC(=O)[C@@H]([NH2+]CCn1cc[nH+]c1)C(C)C ZINC000309657168 385776736 /nfs/dbraw/zinc/77/67/36/385776736.db2.gz QGGSCJCETIRTCR-JTQLQIEISA-N 2 2 224.308 0.243 20 0 BCADLP C[C@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000281994667 385722060 /nfs/dbraw/zinc/72/20/60/385722060.db2.gz NCXDELPUWCHDNZ-VHSXEESVSA-N 2 2 209.293 0.970 20 0 BCADLP C[C@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000281994667 385722063 /nfs/dbraw/zinc/72/20/63/385722063.db2.gz NCXDELPUWCHDNZ-VHSXEESVSA-N 2 2 209.293 0.970 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336740540 385806222 /nfs/dbraw/zinc/80/62/22/385806222.db2.gz MJAIEGZXZVVCLB-IJLUTSLNSA-N 2 2 222.336 0.811 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336740540 385806227 /nfs/dbraw/zinc/80/62/27/385806227.db2.gz MJAIEGZXZVVCLB-IJLUTSLNSA-N 2 2 222.336 0.811 20 0 BCADLP C[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)[NH+](C)C ZINC000283361224 385817615 /nfs/dbraw/zinc/81/76/15/385817615.db2.gz DDWPWCPGHNMHJU-MOVJSRMASA-N 2 2 222.292 0.489 20 0 BCADLP O=C(C=Cc1c[nH]c[nH+]1)N1CC[NH+](C2CC2)CC1 ZINC000283435105 385818857 /nfs/dbraw/zinc/81/88/57/385818857.db2.gz JPDNMSGVHPSLDY-DAFODLJHSA-N 2 2 246.314 0.730 20 0 BCADLP C[C@@H]1C(=O)N(C)CC[N@H+]1CCn1cc[nH+]c1 ZINC000186995997 385824031 /nfs/dbraw/zinc/82/40/31/385824031.db2.gz NYAUSDIKKKECMN-SNVBAGLBSA-N 2 2 222.292 0.046 20 0 BCADLP C[C@@H]1C(=O)N(C)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000186995997 385824035 /nfs/dbraw/zinc/82/40/35/385824035.db2.gz NYAUSDIKKKECMN-SNVBAGLBSA-N 2 2 222.292 0.046 20 0 BCADLP C[C@@H]([NH3+])CC(=O)NCCCNc1cccc[nH+]1 ZINC000340183993 385828975 /nfs/dbraw/zinc/82/89/75/385828975.db2.gz OGABBJGAYLGVFH-SNVBAGLBSA-N 2 2 236.319 0.737 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000414953944 385835248 /nfs/dbraw/zinc/83/52/48/385835248.db2.gz MHTUJKCNTAPFRB-SDDRHHMPSA-N 3 2 211.353 0.716 20 0 BCADLP Cc1nnc(C[N@H+](C)CCCn2cc[nH+]c2)[nH]1 ZINC000271881788 385856320 /nfs/dbraw/zinc/85/63/20/385856320.db2.gz CEIVFJCERMFNRG-UHFFFAOYSA-N 2 2 234.307 0.832 20 0 BCADLP Cc1nnc(C[N@@H+](C)CCCn2cc[nH+]c2)[nH]1 ZINC000271881788 385856322 /nfs/dbraw/zinc/85/63/22/385856322.db2.gz CEIVFJCERMFNRG-UHFFFAOYSA-N 2 2 234.307 0.832 20 0 BCADLP C[NH+]1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000647844164 385894767 /nfs/dbraw/zinc/89/47/67/385894767.db2.gz TXZBRZWRDUANMS-UHFFFAOYSA-N 2 2 235.291 0.033 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000122311991 385908725 /nfs/dbraw/zinc/90/87/25/385908725.db2.gz JLMPNBFEADPZIE-NEPJUHHUSA-N 2 2 222.336 0.955 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000122311991 385908729 /nfs/dbraw/zinc/90/87/29/385908729.db2.gz JLMPNBFEADPZIE-NEPJUHHUSA-N 2 2 222.336 0.955 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414959672 385869263 /nfs/dbraw/zinc/86/92/63/385869263.db2.gz TZALJKVKBFJRHS-SDDRHHMPSA-N 3 2 211.353 0.859 20 0 BCADLP C[C@@H](c1nnnn1C1CC1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000647830552 385873299 /nfs/dbraw/zinc/87/32/99/385873299.db2.gz QJUJIYFHKQUVOJ-IUCAKERBSA-N 2 2 236.323 0.350 20 0 BCADLP C[C@@H](c1nnnn1C1CC1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000647830552 385873303 /nfs/dbraw/zinc/87/33/03/385873303.db2.gz QJUJIYFHKQUVOJ-IUCAKERBSA-N 2 2 236.323 0.350 20 0 BCADLP CS(=O)(=O)CC1(C[N@@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000647830390 385873384 /nfs/dbraw/zinc/87/33/84/385873384.db2.gz IKTPUPYDNQPRLN-JTQLQIEISA-N 2 2 246.376 0.092 20 0 BCADLP CS(=O)(=O)CC1(C[N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000647830390 385873389 /nfs/dbraw/zinc/87/33/89/385873389.db2.gz IKTPUPYDNQPRLN-JTQLQIEISA-N 2 2 246.376 0.092 20 0 BCADLP Cc1nc(C)c(C[NH2+]C[C@@](C)(O)C[NH+](C)C)o1 ZINC000647926063 385977062 /nfs/dbraw/zinc/97/70/62/385977062.db2.gz SRIRCPICHRRDQY-GFCCVEGCSA-N 2 2 241.335 0.694 20 0 BCADLP CC[C@@H](C)NC(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000647926831 385986060 /nfs/dbraw/zinc/98/60/60/385986060.db2.gz OEOXMSXRCTUYPC-SNVBAGLBSA-N 2 2 227.352 0.714 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c[nH+]1 ZINC000335039762 385931551 /nfs/dbraw/zinc/93/15/51/385931551.db2.gz SQTPTVMYOUQHON-VHSXEESVSA-N 2 2 236.319 0.965 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000335041467 385933902 /nfs/dbraw/zinc/93/39/02/385933902.db2.gz ICLAEQBFZMGTJL-WCQYABFASA-N 3 2 223.364 0.836 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335041467 385933905 /nfs/dbraw/zinc/93/39/05/385933905.db2.gz ICLAEQBFZMGTJL-WCQYABFASA-N 3 2 223.364 0.836 20 0 BCADLP Cc1cnc(C[NH2+]CC2([NH3+])CCC2)cn1 ZINC000342089840 385935622 /nfs/dbraw/zinc/93/56/22/385935622.db2.gz BMUFRQSUZNZHKQ-UHFFFAOYSA-N 2 2 206.293 0.756 20 0 BCADLP COCC[NH2+]CC[NH2+]Cc1cccc2c[nH]nc21 ZINC000414878755 385941262 /nfs/dbraw/zinc/94/12/62/385941262.db2.gz HEZWXCSRTICDJE-UHFFFAOYSA-N 2 2 248.330 0.889 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000392873339 385943753 /nfs/dbraw/zinc/94/37/53/385943753.db2.gz CUUMDUXVYLSGRQ-LLVKDONJSA-N 2 2 221.304 0.971 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000392873339 385943760 /nfs/dbraw/zinc/94/37/60/385943760.db2.gz CUUMDUXVYLSGRQ-LLVKDONJSA-N 2 2 221.304 0.971 20 0 BCADLP CC[NH+](CC)CCC[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000338281428 385944437 /nfs/dbraw/zinc/94/44/37/385944437.db2.gz DMOIBFUFPWSRDC-NSHDSACASA-N 2 2 242.367 0.461 20 0 BCADLP CC[NH+](CC)CCC[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000338281428 385944441 /nfs/dbraw/zinc/94/44/41/385944441.db2.gz DMOIBFUFPWSRDC-NSHDSACASA-N 2 2 242.367 0.461 20 0 BCADLP COCCCCC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647863544 385959205 /nfs/dbraw/zinc/95/92/05/385959205.db2.gz DQJIIFZQMCRPNE-NEPJUHHUSA-N 2 2 230.352 0.851 20 0 BCADLP COCCCCC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647863544 385959209 /nfs/dbraw/zinc/95/92/09/385959209.db2.gz DQJIIFZQMCRPNE-NEPJUHHUSA-N 2 2 230.352 0.851 20 0 BCADLP COCCCCC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647863547 385961451 /nfs/dbraw/zinc/96/14/51/385961451.db2.gz DQJIIFZQMCRPNE-VXGBXAGGSA-N 2 2 230.352 0.851 20 0 BCADLP COCCCCC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647863547 385961456 /nfs/dbraw/zinc/96/14/56/385961456.db2.gz DQJIIFZQMCRPNE-VXGBXAGGSA-N 2 2 230.352 0.851 20 0 BCADLP CC(C)OCCC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647864284 385966821 /nfs/dbraw/zinc/96/68/21/385966821.db2.gz SWTCBGYIJJKWSA-NWDGAFQWSA-N 2 2 230.352 0.850 20 0 BCADLP CC(C)OCCC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647864284 385966827 /nfs/dbraw/zinc/96/68/27/385966827.db2.gz SWTCBGYIJJKWSA-NWDGAFQWSA-N 2 2 230.352 0.850 20 0 BCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cc[nH+]cc2C)C1 ZINC000187946338 385972118 /nfs/dbraw/zinc/97/21/18/385972118.db2.gz GZWAXFMNRIATEZ-GXSJLCMTSA-N 2 2 235.287 0.705 20 0 BCADLP CC(C)[N@H+](C)CCNC(=O)CCn1cc[nH+]c1 ZINC000338421692 386002564 /nfs/dbraw/zinc/00/25/64/386002564.db2.gz DVPMKUSKITWZDW-UHFFFAOYSA-N 2 2 238.335 0.730 20 0 BCADLP CC(C)[N@@H+](C)CCNC(=O)CCn1cc[nH+]c1 ZINC000338421692 386002567 /nfs/dbraw/zinc/00/25/67/386002567.db2.gz DVPMKUSKITWZDW-UHFFFAOYSA-N 2 2 238.335 0.730 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C[C@@H]1CCC[N@@H+]1C ZINC000643256316 386002570 /nfs/dbraw/zinc/00/25/70/386002570.db2.gz FYDHMLUSQSLMQR-NSHDSACASA-N 2 2 208.309 0.936 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C[C@@H]1CCC[N@H+]1C ZINC000643256316 386002575 /nfs/dbraw/zinc/00/25/75/386002575.db2.gz FYDHMLUSQSLMQR-NSHDSACASA-N 2 2 208.309 0.936 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C[C@@H]1CCC[N@@H+]1C ZINC000643256316 386002578 /nfs/dbraw/zinc/00/25/78/386002578.db2.gz FYDHMLUSQSLMQR-NSHDSACASA-N 2 2 208.309 0.936 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C[C@@H]1CCC[N@H+]1C ZINC000643256316 386002582 /nfs/dbraw/zinc/00/25/82/386002582.db2.gz FYDHMLUSQSLMQR-NSHDSACASA-N 2 2 208.309 0.936 20 0 BCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1nccs1 ZINC000336750385 386003384 /nfs/dbraw/zinc/00/33/84/386003384.db2.gz UUJLVSOLAXPFKC-KOLCDFICSA-N 2 2 241.360 0.860 20 0 BCADLP CC[C@H](Cn1cncn1)[NH2+]CC[NH+](C)C ZINC000336770319 386010093 /nfs/dbraw/zinc/01/00/93/386010093.db2.gz VRBQRDYPMRUYJW-SNVBAGLBSA-N 2 2 211.313 0.208 20 0 BCADLP CC[C@H](Cn1cncn1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000336727783 386015425 /nfs/dbraw/zinc/01/54/25/386015425.db2.gz GSBSMQVVWPMWBH-GHMZBOCLSA-N 2 2 225.340 0.596 20 0 BCADLP C[C@@]1(O)CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000124304011 386019508 /nfs/dbraw/zinc/01/95/08/386019508.db2.gz ICNNTZNGYXGQAH-LLVKDONJSA-N 2 2 209.293 0.730 20 0 BCADLP C[C@@]1(O)CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000124304011 386019512 /nfs/dbraw/zinc/01/95/12/386019512.db2.gz ICNNTZNGYXGQAH-LLVKDONJSA-N 2 2 209.293 0.730 20 0 BCADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccnn1C ZINC000128845794 386028245 /nfs/dbraw/zinc/02/82/45/386028245.db2.gz MEHGHSIOTSYCJR-JQWIXIFHSA-N 2 2 222.336 0.850 20 0 BCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccnn1C ZINC000128845794 386028250 /nfs/dbraw/zinc/02/82/50/386028250.db2.gz MEHGHSIOTSYCJR-JQWIXIFHSA-N 2 2 222.336 0.850 20 0 BCADLP CCn1ncnc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000309761084 386031304 /nfs/dbraw/zinc/03/13/04/386031304.db2.gz MOCIRCYFYXHHFQ-JTQLQIEISA-N 2 2 225.340 0.585 20 0 BCADLP CC[C@H]([NH3+])CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000295239361 385995831 /nfs/dbraw/zinc/99/58/31/385995831.db2.gz OUZXNKUVAWLBJJ-JTQLQIEISA-N 2 2 232.287 0.801 20 0 BCADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)CC(N)=O ZINC000336749413 385996192 /nfs/dbraw/zinc/99/61/92/385996192.db2.gz DIBLUUBQJDWFSE-JTQLQIEISA-N 2 2 215.341 0.572 20 0 BCADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)CC(N)=O ZINC000336749413 385996199 /nfs/dbraw/zinc/99/61/99/385996199.db2.gz DIBLUUBQJDWFSE-JTQLQIEISA-N 2 2 215.341 0.572 20 0 BCADLP C[C@@H](C[NH3+])NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000415631218 386114961 /nfs/dbraw/zinc/11/49/61/386114961.db2.gz KJUBDQHFSCGDHB-QMMMGPOBSA-N 2 2 233.275 0.803 20 0 BCADLP Cc1cc(NC(=O)NC[C@@H](C)C[NH3+])cc[nH+]1 ZINC000415373123 386065303 /nfs/dbraw/zinc/06/53/03/386065303.db2.gz BTTRLXQCXKQUIA-QMMMGPOBSA-N 2 2 222.292 0.528 20 0 BCADLP CCN(C)c1ccc(C[NH2+][C@H]2CC[NH2+]C2)cn1 ZINC000414885772 386070245 /nfs/dbraw/zinc/07/02/45/386070245.db2.gz PIBHMFCRJODFSB-LBPRGKRZSA-N 2 2 234.347 0.989 20 0 BCADLP C[NH2+]CCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000415402018 386072238 /nfs/dbraw/zinc/07/22/38/386072238.db2.gz VHZGETYRVSPOMD-UHFFFAOYSA-N 2 2 208.265 0.153 20 0 BCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1[nH+]ccn1C ZINC000334441493 386073993 /nfs/dbraw/zinc/07/39/93/386073993.db2.gz LGCHMINGJPMPIK-QWRGUYRKSA-N 2 2 222.336 0.945 20 0 BCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1[nH+]ccn1C ZINC000334441493 386073999 /nfs/dbraw/zinc/07/39/99/386073999.db2.gz LGCHMINGJPMPIK-QWRGUYRKSA-N 2 2 222.336 0.945 20 0 BCADLP Cc1cc(NC(=O)NCC[C@H](C)[NH3+])cc[nH+]1 ZINC000415394751 386074309 /nfs/dbraw/zinc/07/43/09/386074309.db2.gz LXTFZYFJZJIKCQ-QMMMGPOBSA-N 2 2 222.292 0.671 20 0 BCADLP Cc1nc(N[C@H](C)C[N@H+](C)C(C)C)nc(N)[nH+]1 ZINC000310089961 386084701 /nfs/dbraw/zinc/08/47/01/386084701.db2.gz IVFSCHOOSKZZDH-MRVPVSSYSA-N 2 2 238.339 0.903 20 0 BCADLP Cc1nc(N[C@H](C)C[N@@H+](C)C(C)C)nc(N)[nH+]1 ZINC000310089961 386084708 /nfs/dbraw/zinc/08/47/08/386084708.db2.gz IVFSCHOOSKZZDH-MRVPVSSYSA-N 2 2 238.339 0.903 20 0 BCADLP C[C@H](C[NH3+])NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000274389781 386096209 /nfs/dbraw/zinc/09/62/09/386096209.db2.gz CWNKYZGTPGLGCJ-SECBINFHSA-N 2 2 232.287 0.340 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000414676059 386149408 /nfs/dbraw/zinc/14/94/08/386149408.db2.gz HDPLFSQOUOFGFU-NEPJUHHUSA-N 2 2 241.379 0.912 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000414676059 386149411 /nfs/dbraw/zinc/14/94/11/386149411.db2.gz HDPLFSQOUOFGFU-NEPJUHHUSA-N 2 2 241.379 0.912 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000414676069 386149776 /nfs/dbraw/zinc/14/97/76/386149776.db2.gz HDPLFSQOUOFGFU-VXGBXAGGSA-N 2 2 241.379 0.912 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000414676069 386149780 /nfs/dbraw/zinc/14/97/80/386149780.db2.gz HDPLFSQOUOFGFU-VXGBXAGGSA-N 2 2 241.379 0.912 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000414676062 386150083 /nfs/dbraw/zinc/15/00/83/386150083.db2.gz HDPLFSQOUOFGFU-NWDGAFQWSA-N 2 2 241.379 0.912 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000414676062 386150086 /nfs/dbraw/zinc/15/00/86/386150086.db2.gz HDPLFSQOUOFGFU-NWDGAFQWSA-N 2 2 241.379 0.912 20 0 BCADLP Cc1nc(N2CCC[C@@H]([NH+](C)C)C2)nc(N)[nH+]1 ZINC000310174447 386152786 /nfs/dbraw/zinc/15/27/86/386152786.db2.gz QNZQMFLWDKNRFL-SECBINFHSA-N 2 2 236.323 0.293 20 0 BCADLP Cn1nnc2cc(C[N@@H+]3CCC[C@H]([NH3+])C3)ccc21 ZINC000346084446 386158660 /nfs/dbraw/zinc/15/86/60/386158660.db2.gz GPGIBCCYDNQWOH-NSHDSACASA-N 2 2 245.330 0.891 20 0 BCADLP Cn1nnc2cc(C[N@H+]3CCC[C@H]([NH3+])C3)ccc21 ZINC000346084446 386158662 /nfs/dbraw/zinc/15/86/62/386158662.db2.gz GPGIBCCYDNQWOH-NSHDSACASA-N 2 2 245.330 0.891 20 0 BCADLP Cc1nc(NCC2([NH+](C)C)CCC2)nc(N)[nH+]1 ZINC000310198004 386160684 /nfs/dbraw/zinc/16/06/84/386160684.db2.gz AXEYKTYTCBPZEI-UHFFFAOYSA-N 2 2 236.323 0.658 20 0 BCADLP O=C(CCn1cc[nH+]c1)NCCCn1cc[nH+]c1 ZINC000263640699 386161558 /nfs/dbraw/zinc/16/15/58/386161558.db2.gz AOAFMAZQISEWQC-UHFFFAOYSA-N 2 2 247.302 0.676 20 0 BCADLP COCC[N@H+](CCO)C[C@@H]([NH3+])CC(C)C ZINC000414688652 386177525 /nfs/dbraw/zinc/17/75/25/386177525.db2.gz DNNHTXWEEGLGIL-NSHDSACASA-N 2 2 218.341 0.301 20 0 BCADLP COCC[N@@H+](CCO)C[C@@H]([NH3+])CC(C)C ZINC000414688652 386177530 /nfs/dbraw/zinc/17/75/30/386177530.db2.gz DNNHTXWEEGLGIL-NSHDSACASA-N 2 2 218.341 0.301 20 0 BCADLP CC[C@H]([NH3+])C[NH2+]Cc1c(Cl)cnn1C ZINC000414988122 386127704 /nfs/dbraw/zinc/12/77/04/386127704.db2.gz LHMWPLTZPCQVBL-ZETCQYMHSA-N 2 2 216.716 0.900 20 0 BCADLP CC[C@H](C(=O)N1CC[NH+](C)CC1)[NH+](CC)CC ZINC000345848727 386127747 /nfs/dbraw/zinc/12/77/47/386127747.db2.gz PZPNBNUDZQPXDI-GFCCVEGCSA-N 2 2 241.379 0.881 20 0 BCADLP CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@H]([NH3+])CC(C)C ZINC000414674582 386141744 /nfs/dbraw/zinc/14/17/44/386141744.db2.gz KSCQNTXLDMDKBP-NEPJUHHUSA-N 2 2 241.379 0.960 20 0 BCADLP CNC(=O)[C@@H]1CCCC[N@H+]1C[C@H]([NH3+])CC(C)C ZINC000414674582 386141748 /nfs/dbraw/zinc/14/17/48/386141748.db2.gz KSCQNTXLDMDKBP-NEPJUHHUSA-N 2 2 241.379 0.960 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+](Cc2cnc3cnccn23)C1 ZINC000347032385 386223816 /nfs/dbraw/zinc/22/38/16/386223816.db2.gz ABDWKPIPPCIPIH-LLVKDONJSA-N 2 2 245.330 0.900 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000347032385 386223818 /nfs/dbraw/zinc/22/38/18/386223818.db2.gz ABDWKPIPPCIPIH-LLVKDONJSA-N 2 2 245.330 0.900 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cnc3cnccn23)C1 ZINC000347128339 386237396 /nfs/dbraw/zinc/23/73/96/386237396.db2.gz PGLQCZLEOSVFDM-NSHDSACASA-N 2 2 245.330 0.771 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000347128339 386237402 /nfs/dbraw/zinc/23/74/02/386237402.db2.gz PGLQCZLEOSVFDM-NSHDSACASA-N 2 2 245.330 0.771 20 0 BCADLP CC(C)(CC[NH3+])NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638355283 386247564 /nfs/dbraw/zinc/24/75/64/386247564.db2.gz HJSQERXDSMQJIT-RKDXNWHRSA-N 2 2 236.319 0.757 20 0 BCADLP CC(C)(CC[NH3+])NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638355283 386247569 /nfs/dbraw/zinc/24/75/69/386247569.db2.gz HJSQERXDSMQJIT-RKDXNWHRSA-N 2 2 236.319 0.757 20 0 BCADLP COC(=O)c1coc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000347110199 386255669 /nfs/dbraw/zinc/25/56/69/386255669.db2.gz PXZRQACATBBDCU-VIFPVBQESA-N 2 2 238.287 0.847 20 0 BCADLP COC(=O)c1coc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000347110199 386255676 /nfs/dbraw/zinc/25/56/76/386255676.db2.gz PXZRQACATBBDCU-VIFPVBQESA-N 2 2 238.287 0.847 20 0 BCADLP C[C@@](C[NH3+])([NH2+]CC(=O)N1CCCCC1)C1CC1 ZINC000430541624 386257086 /nfs/dbraw/zinc/25/70/86/386257086.db2.gz BQURVGJSNRVPOT-ZDUSSCGKSA-N 2 2 239.363 0.716 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+](CCO)CCCO ZINC000414697753 386199228 /nfs/dbraw/zinc/19/92/28/386199228.db2.gz QGHCPRYBYKWEQC-NSHDSACASA-N 2 2 218.341 0.037 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+](CCO)CCCO ZINC000414697753 386199232 /nfs/dbraw/zinc/19/92/32/386199232.db2.gz QGHCPRYBYKWEQC-NSHDSACASA-N 2 2 218.341 0.037 20 0 BCADLP Cn1ncc(C[N@H+](C)CCCn2cc[nH+]c2)n1 ZINC000289321374 386283995 /nfs/dbraw/zinc/28/39/95/386283995.db2.gz GFOPBHVMHLVVKI-UHFFFAOYSA-N 2 2 234.307 0.534 20 0 BCADLP Cn1ncc(C[N@@H+](C)CCCn2cc[nH+]c2)n1 ZINC000289321374 386284002 /nfs/dbraw/zinc/28/40/02/386284002.db2.gz GFOPBHVMHLVVKI-UHFFFAOYSA-N 2 2 234.307 0.534 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000647987983 386289681 /nfs/dbraw/zinc/28/96/81/386289681.db2.gz BPULNSUKBHCZEQ-DDHJBXDOSA-N 3 2 211.353 0.572 20 0 BCADLP CC[N@@H+]1CCN(C(=O)C[NH+](C)C)[C@H](C)C1 ZINC000334480322 386293384 /nfs/dbraw/zinc/29/33/84/386293384.db2.gz UXTCYWUKKNRCTA-SNVBAGLBSA-N 2 2 213.325 0.101 20 0 BCADLP CC[N@H+]1CCN(C(=O)C[NH+](C)C)[C@H](C)C1 ZINC000334480322 386293388 /nfs/dbraw/zinc/29/33/88/386293388.db2.gz UXTCYWUKKNRCTA-SNVBAGLBSA-N 2 2 213.325 0.101 20 0 BCADLP Cc1n[nH]c([C@@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000647988410 386302447 /nfs/dbraw/zinc/30/24/47/386302447.db2.gz FWXPFLOVJSKIIA-NWDGAFQWSA-N 2 2 249.362 0.902 20 0 BCADLP Cc1n[nH]c([C@@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000647988410 386302452 /nfs/dbraw/zinc/30/24/52/386302452.db2.gz FWXPFLOVJSKIIA-NWDGAFQWSA-N 2 2 249.362 0.902 20 0 BCADLP Cc1nc([C@@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000647988410 386302458 /nfs/dbraw/zinc/30/24/58/386302458.db2.gz FWXPFLOVJSKIIA-NWDGAFQWSA-N 2 2 249.362 0.902 20 0 BCADLP Cc1nc([C@@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000647988410 386302463 /nfs/dbraw/zinc/30/24/63/386302463.db2.gz FWXPFLOVJSKIIA-NWDGAFQWSA-N 2 2 249.362 0.902 20 0 BCADLP Cc1ccc(O)c(C[NH2+][C@@H](C)[C@H](C)[NH3+])n1 ZINC000415005648 386304051 /nfs/dbraw/zinc/30/40/51/386304051.db2.gz JJRMMLOLSGBFQZ-IUCAKERBSA-N 2 2 209.293 0.921 20 0 BCADLP CC(C)(C)[NH2+]CCN1CC[N@@H+]2CCOC[C@H]2C1 ZINC000414735154 386308243 /nfs/dbraw/zinc/30/82/43/386308243.db2.gz GMASRWYVFXBPDI-GFCCVEGCSA-N 2 2 241.379 0.391 20 0 BCADLP CC(C)(C)[NH2+]CCN1CC[N@H+]2CCOC[C@H]2C1 ZINC000414735154 386308247 /nfs/dbraw/zinc/30/82/47/386308247.db2.gz GMASRWYVFXBPDI-GFCCVEGCSA-N 2 2 241.379 0.391 20 0 BCADLP CC(C)(C)[NH2+]CCN1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000414735157 386308337 /nfs/dbraw/zinc/30/83/37/386308337.db2.gz GMASRWYVFXBPDI-LBPRGKRZSA-N 2 2 241.379 0.391 20 0 BCADLP CC(C)(C)[NH2+]CCN1CC[N@H+]2CCOC[C@@H]2C1 ZINC000414735157 386308342 /nfs/dbraw/zinc/30/83/42/386308342.db2.gz GMASRWYVFXBPDI-LBPRGKRZSA-N 2 2 241.379 0.391 20 0 BCADLP CCOC(=O)C[N@H+](CCC[NH3+])C1CCC1 ZINC000414739254 386322583 /nfs/dbraw/zinc/32/25/83/386322583.db2.gz CAGDZTKNQZKROR-UHFFFAOYSA-N 2 2 214.309 0.753 20 0 BCADLP CCOC(=O)C[N@@H+](CCC[NH3+])C1CCC1 ZINC000414739254 386322587 /nfs/dbraw/zinc/32/25/87/386322587.db2.gz CAGDZTKNQZKROR-UHFFFAOYSA-N 2 2 214.309 0.753 20 0 BCADLP CN(C)c1ncc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000347160462 386263494 /nfs/dbraw/zinc/26/34/94/386263494.db2.gz GZKZMGQZRVOXTQ-LLVKDONJSA-N 2 2 249.362 0.713 20 0 BCADLP CN(C)c1ncc(C[N@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000347160462 386263496 /nfs/dbraw/zinc/26/34/96/386263496.db2.gz GZKZMGQZRVOXTQ-LLVKDONJSA-N 2 2 249.362 0.713 20 0 BCADLP CC[C@@H](C(=O)NCCn1cc[nH+]c1)[NH+](C)C ZINC000133438182 386323937 /nfs/dbraw/zinc/32/39/37/386323937.db2.gz WXUQLJAXTJRUSP-JTQLQIEISA-N 2 2 224.308 0.340 20 0 BCADLP Cc1cc[nH+]cc1N1CC[NH+](C[C@H](C)O)CC1 ZINC000339154809 386276002 /nfs/dbraw/zinc/27/60/02/386276002.db2.gz NFTTUAHXTLGDGL-LBPRGKRZSA-N 2 2 235.331 0.893 20 0 BCADLP O=C1C[N@H+](CCn2cc[nH+]c2)CCN1C1CC1 ZINC000336687517 386346793 /nfs/dbraw/zinc/34/67/93/386346793.db2.gz GTDRKBNJFWKPOS-UHFFFAOYSA-N 2 2 234.303 0.190 20 0 BCADLP O=C1C[N@@H+](CCn2cc[nH+]c2)CCN1C1CC1 ZINC000336687517 386346798 /nfs/dbraw/zinc/34/67/98/386346798.db2.gz GTDRKBNJFWKPOS-UHFFFAOYSA-N 2 2 234.303 0.190 20 0 BCADLP CNC(=O)N[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414747210 386354517 /nfs/dbraw/zinc/35/45/17/386354517.db2.gz TZRSVNIWFFOXFB-GHMZBOCLSA-N 2 2 242.367 0.363 20 0 BCADLP CNC(=O)N[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414747210 386354521 /nfs/dbraw/zinc/35/45/21/386354521.db2.gz TZRSVNIWFFOXFB-GHMZBOCLSA-N 2 2 242.367 0.363 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCCNC1=O ZINC000336685212 386357735 /nfs/dbraw/zinc/35/77/35/386357735.db2.gz FIAMZRIZIJQKMU-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCCNC1=O ZINC000336685212 386357739 /nfs/dbraw/zinc/35/77/39/386357739.db2.gz FIAMZRIZIJQKMU-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP CCC[C@]1(C)C(=O)NCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647989700 386362508 /nfs/dbraw/zinc/36/25/08/386362508.db2.gz YYZPENTVOOFJQT-DGCLKSJQSA-N 2 2 239.363 0.587 20 0 BCADLP CCC[C@]1(C)C(=O)NCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647989700 386362513 /nfs/dbraw/zinc/36/25/13/386362513.db2.gz YYZPENTVOOFJQT-DGCLKSJQSA-N 2 2 239.363 0.587 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000366336048 386365407 /nfs/dbraw/zinc/36/54/07/386365407.db2.gz YOOCRLDOXQGBJL-LLVKDONJSA-N 2 2 223.251 0.452 20 0 BCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000289863082 386365508 /nfs/dbraw/zinc/36/55/08/386365508.db2.gz CUQINRGZZPYMNH-RKDXNWHRSA-N 2 2 222.292 0.414 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000366336049 386365670 /nfs/dbraw/zinc/36/56/70/386365670.db2.gz YOOCRLDOXQGBJL-NSHDSACASA-N 2 2 223.251 0.452 20 0 BCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000289860997 386365632 /nfs/dbraw/zinc/36/56/32/386365632.db2.gz CUQINRGZZPYMNH-DTWKUNHWSA-N 2 2 222.292 0.414 20 0 BCADLP COC(=O)c1coc(C[NH2+][C@H](C)[C@@H](C)[NH3+])c1 ZINC000415007911 386373034 /nfs/dbraw/zinc/37/30/34/386373034.db2.gz DKBAESZNPHGNFB-HTQZYQBOSA-N 2 2 226.276 0.892 20 0 BCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccco1 ZINC000336743454 386377093 /nfs/dbraw/zinc/37/70/93/386377093.db2.gz PEQCJUSIHGFFPP-CMPLNLGQSA-N 2 2 224.304 0.997 20 0 BCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccco1 ZINC000336743454 386377097 /nfs/dbraw/zinc/37/70/97/386377097.db2.gz PEQCJUSIHGFFPP-CMPLNLGQSA-N 2 2 224.304 0.997 20 0 BCADLP CO[C@@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@@H]1OC ZINC000276808730 386377359 /nfs/dbraw/zinc/37/73/59/386377359.db2.gz DLRQNYCYVSHSHV-TXEJJXNPSA-N 2 2 239.319 0.619 20 0 BCADLP CO[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@@H]1OC ZINC000276808730 386377362 /nfs/dbraw/zinc/37/73/62/386377362.db2.gz DLRQNYCYVSHSHV-TXEJJXNPSA-N 2 2 239.319 0.619 20 0 BCADLP COC(=O)[C@@H]([NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC000276495175 386332443 /nfs/dbraw/zinc/33/24/43/386332443.db2.gz WIFFNQDBSVCGKS-NSHDSACASA-N 2 2 237.303 0.814 20 0 BCADLP C[C@@H](C[NH2+]Cc1nccn1C)C[NH+](C)C ZINC000291709322 386447621 /nfs/dbraw/zinc/44/76/21/386447621.db2.gz LEKVDGIXDGUASP-JTQLQIEISA-N 2 2 210.325 0.707 20 0 BCADLP CCOCCC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166088495 386396665 /nfs/dbraw/zinc/39/66/65/386396665.db2.gz JPKUEXNTIBMUFU-VXGBXAGGSA-N 2 2 230.352 0.770 20 0 BCADLP CCN(CC)C(=O)C1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000442651731 386401030 /nfs/dbraw/zinc/40/10/30/386401030.db2.gz RMSDVGOVTWTYTC-NSHDSACASA-N 2 2 241.379 0.914 20 0 BCADLP Cn1cc(C[N@H+](C)CCCn2cc[nH+]c2)nn1 ZINC000336700526 386401235 /nfs/dbraw/zinc/40/12/35/386401235.db2.gz AYLURCKYRSVYMO-UHFFFAOYSA-N 2 2 234.307 0.534 20 0 BCADLP Cn1cc(C[N@@H+](C)CCCn2cc[nH+]c2)nn1 ZINC000336700526 386401239 /nfs/dbraw/zinc/40/12/39/386401239.db2.gz AYLURCKYRSVYMO-UHFFFAOYSA-N 2 2 234.307 0.534 20 0 BCADLP Cc1noc([C@H]2CCC[N@@H+](C[C@H](C)[NH3+])C2)n1 ZINC000442659509 386408154 /nfs/dbraw/zinc/40/81/54/386408154.db2.gz BSNUGIBHRLLZLS-WPRPVWTQSA-N 2 2 224.308 0.905 20 0 BCADLP Cc1noc([C@H]2CCC[N@H+](C[C@H](C)[NH3+])C2)n1 ZINC000442659509 386408159 /nfs/dbraw/zinc/40/81/59/386408159.db2.gz BSNUGIBHRLLZLS-WPRPVWTQSA-N 2 2 224.308 0.905 20 0 BCADLP Cc1cccn2c(CN(CC[NH3+])CCO)c[nH+]c12 ZINC000414909786 386415679 /nfs/dbraw/zinc/41/56/79/386415679.db2.gz GQEFSDUMXFQLLU-UHFFFAOYSA-N 2 2 248.330 0.396 20 0 BCADLP C[C@H](O)CC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000336710252 386425756 /nfs/dbraw/zinc/42/57/56/386425756.db2.gz KSGSIFFWWCQQHP-NSHDSACASA-N 2 2 238.335 0.313 20 0 BCADLP Cc1cccc2[nH+]cc(CN(CC[NH3+])CCO)n21 ZINC000414912830 386474012 /nfs/dbraw/zinc/47/40/12/386474012.db2.gz LDOGXUXHHAJQGF-UHFFFAOYSA-N 2 2 248.330 0.396 20 0 BCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H]1C ZINC000339584163 386488133 /nfs/dbraw/zinc/48/81/33/386488133.db2.gz YJDMBDGTBUWWTJ-JFGNBEQYSA-N 2 2 212.337 0.782 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H]1C ZINC000339584163 386488136 /nfs/dbraw/zinc/48/81/36/386488136.db2.gz YJDMBDGTBUWWTJ-JFGNBEQYSA-N 2 2 212.337 0.782 20 0 BCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@H]1C ZINC000339584163 386488141 /nfs/dbraw/zinc/48/81/41/386488141.db2.gz YJDMBDGTBUWWTJ-JFGNBEQYSA-N 2 2 212.337 0.782 20 0 BCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@H]1C ZINC000339584163 386488150 /nfs/dbraw/zinc/48/81/50/386488150.db2.gz YJDMBDGTBUWWTJ-JFGNBEQYSA-N 2 2 212.337 0.782 20 0 BCADLP CC[C@@H](Cn1cncn1)[NH2+][C@H](C)C[NH+](C)C ZINC000336751117 386488370 /nfs/dbraw/zinc/48/83/70/386488370.db2.gz ZYLDQRLQWMTVMD-MNOVXSKESA-N 2 2 225.340 0.596 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](C)C1 ZINC000415049142 386506391 /nfs/dbraw/zinc/50/63/91/386506391.db2.gz APZXROIHRNQVDO-KIJLLGNVSA-N 3 2 223.364 0.524 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](C)C1 ZINC000415049142 386506394 /nfs/dbraw/zinc/50/63/94/386506394.db2.gz APZXROIHRNQVDO-KIJLLGNVSA-N 3 2 223.364 0.524 20 0 BCADLP Cc1c[nH]nc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000335447314 386514978 /nfs/dbraw/zinc/51/49/78/386514978.db2.gz DPQAQYJYHPDZBY-WDEREUQCSA-N 2 2 220.320 0.759 20 0 BCADLP Cc1c[nH]nc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000335447314 386514979 /nfs/dbraw/zinc/51/49/79/386514979.db2.gz DPQAQYJYHPDZBY-WDEREUQCSA-N 2 2 220.320 0.759 20 0 BCADLP C1C[NH2+][C@H]([C@@H]2CCC[C@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415029805 386516888 /nfs/dbraw/zinc/51/68/88/386516888.db2.gz CYCXECXCGNGSMT-BSCCGWMCSA-N 3 2 235.375 0.715 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]C2(CO)CCC2)n1C ZINC000122789753 386518712 /nfs/dbraw/zinc/51/87/12/386518712.db2.gz QZDRUKZLQQYJFN-UHFFFAOYSA-N 2 2 238.335 0.491 20 0 BCADLP Cc1cccn2c(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)cnc12 ZINC000415030272 386520138 /nfs/dbraw/zinc/52/01/38/386520138.db2.gz DTZWDUPZYDBSJJ-ITGUQSILSA-N 2 2 242.326 0.950 20 0 BCADLP Cc1cccn2c(CN[C@@H]3[C@H]4C[NH2+]C[C@H]43)c[nH+]c12 ZINC000415030272 386520144 /nfs/dbraw/zinc/52/01/44/386520144.db2.gz DTZWDUPZYDBSJJ-ITGUQSILSA-N 2 2 242.326 0.950 20 0 BCADLP O=C([C@H]1CC[NH2+]1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000335451189 386524496 /nfs/dbraw/zinc/52/44/96/386524496.db2.gz ACOLYHLIVYZRNU-ZJUUUORDSA-N 2 2 234.303 0.825 20 0 BCADLP COC(=O)c1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[nH]1 ZINC000415041864 386527802 /nfs/dbraw/zinc/52/78/02/386527802.db2.gz RVLQCDIPRUIQSL-JZYVYDRUSA-N 2 2 235.287 0.109 20 0 BCADLP CC(C)C(=O)NCCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000339503378 386453280 /nfs/dbraw/zinc/45/32/80/386453280.db2.gz AKAHBQHRYGIEDE-RYUDHWBXSA-N 2 2 241.379 0.688 20 0 BCADLP CC(C)C(=O)NCCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000339503378 386453289 /nfs/dbraw/zinc/45/32/89/386453289.db2.gz AKAHBQHRYGIEDE-RYUDHWBXSA-N 2 2 241.379 0.688 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341350 386459939 /nfs/dbraw/zinc/45/99/39/386459939.db2.gz IZZPEGKWHABLAP-WOPDTQHZSA-N 2 2 241.379 0.816 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341350 386459947 /nfs/dbraw/zinc/45/99/47/386459947.db2.gz IZZPEGKWHABLAP-WOPDTQHZSA-N 2 2 241.379 0.816 20 0 BCADLP CC[N@H+](C)CCNc1ncnc2c1C[NH+](C)CC2 ZINC000299553155 386466051 /nfs/dbraw/zinc/46/60/51/386466051.db2.gz CUFBVAIMXZGPOK-UHFFFAOYSA-N 2 2 249.362 0.828 20 0 BCADLP CC[N@@H+](C)CCNc1ncnc2c1C[NH+](C)CC2 ZINC000299553155 386466054 /nfs/dbraw/zinc/46/60/54/386466054.db2.gz CUFBVAIMXZGPOK-UHFFFAOYSA-N 2 2 249.362 0.828 20 0 BCADLP CC[NH+](C)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC000299553155 386466055 /nfs/dbraw/zinc/46/60/55/386466055.db2.gz CUFBVAIMXZGPOK-UHFFFAOYSA-N 2 2 249.362 0.828 20 0 BCADLP CC[NH+](C)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC000299553155 386466058 /nfs/dbraw/zinc/46/60/58/386466058.db2.gz CUFBVAIMXZGPOK-UHFFFAOYSA-N 2 2 249.362 0.828 20 0 BCADLP C[C@H]([C@H](C)N[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000415078411 386586063 /nfs/dbraw/zinc/58/60/63/386586063.db2.gz IOIRRMRGDIKHAW-QJPTWQEYSA-N 2 2 227.352 0.047 20 0 BCADLP C[C@H]([C@H](C)[NH2+][C@@H]1CC[NH2+]C1)N1CCOCC1 ZINC000415078411 386586071 /nfs/dbraw/zinc/58/60/71/386586071.db2.gz IOIRRMRGDIKHAW-QJPTWQEYSA-N 2 2 227.352 0.047 20 0 BCADLP C[C@H](N[C@H]1CC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000415078418 386586440 /nfs/dbraw/zinc/58/64/40/386586440.db2.gz IOIRRMRGDIKHAW-SRVKXCTJSA-N 2 2 227.352 0.047 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)[C@H](C)N1CCOCC1 ZINC000415078418 386586443 /nfs/dbraw/zinc/58/64/43/386586443.db2.gz IOIRRMRGDIKHAW-SRVKXCTJSA-N 2 2 227.352 0.047 20 0 BCADLP C[C@H](N[C@@H]1CC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000415078416 386586460 /nfs/dbraw/zinc/58/64/60/386586460.db2.gz IOIRRMRGDIKHAW-SDDRHHMPSA-N 2 2 227.352 0.047 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)[C@H](C)N1CCOCC1 ZINC000415078416 386586464 /nfs/dbraw/zinc/58/64/64/386586464.db2.gz IOIRRMRGDIKHAW-SDDRHHMPSA-N 2 2 227.352 0.047 20 0 BCADLP CCn1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)cn1 ZINC000414799467 386592856 /nfs/dbraw/zinc/59/28/56/386592856.db2.gz RJJIVISNFMPIMR-LLVKDONJSA-N 2 2 210.325 0.976 20 0 BCADLP Cc1cc(CNC(=O)C2([NH3+])CC2)cc(C)[nH+]1 ZINC000335461743 386542802 /nfs/dbraw/zinc/54/28/02/386542802.db2.gz NPHOXYRFKAXULP-UHFFFAOYSA-N 2 2 219.288 0.806 20 0 BCADLP COc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1O ZINC000415069302 386551682 /nfs/dbraw/zinc/55/16/82/386551682.db2.gz XIKZXHQADPKQIA-IWIIMEHWSA-N 2 2 234.299 0.708 20 0 BCADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@H](C)N1CCOCC1 ZINC000415073173 386560575 /nfs/dbraw/zinc/56/05/75/386560575.db2.gz AQIVJARETZMBHJ-RWMBFGLXSA-N 2 2 241.379 0.437 20 0 BCADLP C[C@H](N[C@@H]1CCC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000415073173 386560582 /nfs/dbraw/zinc/56/05/82/386560582.db2.gz AQIVJARETZMBHJ-RWMBFGLXSA-N 2 2 241.379 0.437 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CCCOCC1 ZINC000336780771 386570125 /nfs/dbraw/zinc/57/01/25/386570125.db2.gz SAKOPURGMBPRLY-GFCCVEGCSA-N 2 2 230.352 0.459 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCCOCC1 ZINC000336780771 386570129 /nfs/dbraw/zinc/57/01/29/386570129.db2.gz SAKOPURGMBPRLY-GFCCVEGCSA-N 2 2 230.352 0.459 20 0 BCADLP CCn1cc[nH+]c1CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000414924222 386619973 /nfs/dbraw/zinc/61/99/73/386619973.db2.gz ILMQUQONWFDACW-QWRGUYRKSA-N 2 2 222.336 0.991 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000415109788 386622091 /nfs/dbraw/zinc/62/20/91/386622091.db2.gz MJFWXPMKVCHTKL-RYUDHWBXSA-N 2 2 230.352 0.179 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000415109788 386622092 /nfs/dbraw/zinc/62/20/92/386622092.db2.gz MJFWXPMKVCHTKL-RYUDHWBXSA-N 2 2 230.352 0.179 20 0 BCADLP COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)C2 ZINC000415102113 386622781 /nfs/dbraw/zinc/62/27/81/386622781.db2.gz JIVKFCFJUCILEA-NEPJUHHUSA-N 2 2 248.326 0.950 20 0 BCADLP C[C@]1(CNc2ccc(CO)c[nH+]2)CC[NH2+]C1 ZINC000415102889 386624190 /nfs/dbraw/zinc/62/41/90/386624190.db2.gz JJXOLDZBQIKBSD-LBPRGKRZSA-N 2 2 221.304 0.985 20 0 BCADLP c1cn(CCC[N@@H+]2CC[C@H](c3nnc[nH]3)C2)c[nH+]1 ZINC000425555137 386629084 /nfs/dbraw/zinc/62/90/84/386629084.db2.gz XNVLZHOLYSVYER-NSHDSACASA-N 2 2 246.318 0.881 20 0 BCADLP c1cn(CCC[N@H+]2CC[C@H](c3nnc[nH]3)C2)c[nH+]1 ZINC000425555137 386629089 /nfs/dbraw/zinc/62/90/89/386629089.db2.gz XNVLZHOLYSVYER-NSHDSACASA-N 2 2 246.318 0.881 20 0 BCADLP COC(=O)C(C)(C)CC[N@H+](C)CC[NH3+] ZINC000415116321 386630222 /nfs/dbraw/zinc/63/02/22/386630222.db2.gz XSSPLNYLMXOPPA-UHFFFAOYSA-N 2 2 202.298 0.466 20 0 BCADLP COC(=O)C(C)(C)CC[N@@H+](C)CC[NH3+] ZINC000415116321 386630227 /nfs/dbraw/zinc/63/02/27/386630227.db2.gz XSSPLNYLMXOPPA-UHFFFAOYSA-N 2 2 202.298 0.466 20 0 BCADLP COC(=O)[C@H]1CSCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000415139234 386632882 /nfs/dbraw/zinc/63/28/82/386632882.db2.gz LGGQLSUDNIPTKG-SECBINFHSA-N 2 2 246.376 0.562 20 0 BCADLP COC(=O)[C@H]1CSCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000415139234 386632887 /nfs/dbraw/zinc/63/28/87/386632887.db2.gz LGGQLSUDNIPTKG-SECBINFHSA-N 2 2 246.376 0.562 20 0 BCADLP Cc1n[nH]cc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000228726457 386605229 /nfs/dbraw/zinc/60/52/29/386605229.db2.gz FJBGDUINYHNWBR-NSHDSACASA-N 2 2 226.324 0.120 20 0 BCADLP COC(=O)c1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)[nH]1 ZINC000414803908 386605362 /nfs/dbraw/zinc/60/53/62/386605362.db2.gz XBTSNXZOICHQRF-JTQLQIEISA-N 2 2 239.319 0.874 20 0 BCADLP Cn1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)nn1 ZINC000328683719 386609491 /nfs/dbraw/zinc/60/94/91/386609491.db2.gz WKQGJPUMCFBJIZ-JTQLQIEISA-N 2 2 246.318 0.918 20 0 BCADLP Cn1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)nn1 ZINC000328683719 386609497 /nfs/dbraw/zinc/60/94/97/386609497.db2.gz WKQGJPUMCFBJIZ-JTQLQIEISA-N 2 2 246.318 0.918 20 0 BCADLP O=C1[C@H]([NH2+][C@H]2CCC[NH2+]C2)C[C@H]2CCCCN12 ZINC000415095844 386614930 /nfs/dbraw/zinc/61/49/30/386614930.db2.gz OHVSKZRALIKSLD-QJPTWQEYSA-N 2 2 237.347 0.481 20 0 BCADLP CN(C)c1ccccc1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415098840 386617346 /nfs/dbraw/zinc/61/73/46/386617346.db2.gz WVSUEICBXUYSFO-CYBMUJFWSA-N 2 2 249.358 0.831 20 0 BCADLP Cn1c[nH+]cc1CN1CC[NH2+]C[C@](C)(F)C1 ZINC000335480321 386706523 /nfs/dbraw/zinc/70/65/23/386706523.db2.gz NQGMJBBAAMNFLB-NSHDSACASA-N 2 2 226.299 0.554 20 0 BCADLP C[NH2+]CC[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000414836210 386731579 /nfs/dbraw/zinc/73/15/79/386731579.db2.gz VVXNPHBDKSNNPO-UHFFFAOYSA-N 2 2 247.298 0.092 20 0 BCADLP C[C@H](C[NH3+])C(=O)NCCNc1cccc[nH+]1 ZINC000645331512 386721238 /nfs/dbraw/zinc/72/12/38/386721238.db2.gz LJWAPHJHJHVFOT-SECBINFHSA-N 2 2 222.292 0.205 20 0 BCADLP C[NH2+]C[C@@H](C)C[NH2+]Cc1c(C)nn(C)c1OC ZINC000414834289 386725237 /nfs/dbraw/zinc/72/52/37/386725237.db2.gz HGXWFTIUWBNRJR-SECBINFHSA-N 2 2 240.351 0.682 20 0 BCADLP Cc1ccn2cc(CNC(=O)CCC[NH3+])[nH+]c2c1 ZINC000269264551 386769762 /nfs/dbraw/zinc/76/97/62/386769762.db2.gz XYTGOJMDIRDEBA-UHFFFAOYSA-N 2 2 246.314 0.998 20 0 BCADLP Cc1ncc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cn1 ZINC000344841624 386759438 /nfs/dbraw/zinc/75/94/38/386759438.db2.gz AINIJAMPOVSBOT-GFCCVEGCSA-N 2 2 238.335 0.187 20 0 BCADLP CCNC(=O)C(C)(C)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000344846852 386761925 /nfs/dbraw/zinc/76/19/25/386761925.db2.gz FYRWUEVWKMMRMA-WDEREUQCSA-N 2 2 241.379 0.688 20 0 BCADLP CCNC(=O)C(C)(C)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000344846852 386761930 /nfs/dbraw/zinc/76/19/30/386761930.db2.gz FYRWUEVWKMMRMA-WDEREUQCSA-N 2 2 241.379 0.688 20 0 BCADLP O=C1NCC[C@@H]1[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269253536 386767940 /nfs/dbraw/zinc/76/79/40/386767940.db2.gz CLUQFIWGGAKRNJ-ZJUUUORDSA-N 2 2 234.303 0.478 20 0 BCADLP O=C1NCC[C@@H]1[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269253536 386767944 /nfs/dbraw/zinc/76/79/44/386767944.db2.gz CLUQFIWGGAKRNJ-ZJUUUORDSA-N 2 2 234.303 0.478 20 0 BCADLP CN(C)c1ccc(CNC(=O)C(C)(C)[NH3+])c[nH+]1 ZINC000269242765 386768492 /nfs/dbraw/zinc/76/84/92/386768492.db2.gz RTIUJOJCDABHSI-UHFFFAOYSA-N 2 2 236.319 0.501 20 0 BCADLP Cn1ncnc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125320623 386792898 /nfs/dbraw/zinc/79/28/98/386792898.db2.gz NQEFFVWWGCAVSM-AXFHLTTASA-N 2 2 235.335 0.374 20 0 BCADLP Cn1ncnc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125320623 386792910 /nfs/dbraw/zinc/79/29/10/386792910.db2.gz NQEFFVWWGCAVSM-AXFHLTTASA-N 2 2 235.335 0.374 20 0 BCADLP C[NH+](C)[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000334638614 386777538 /nfs/dbraw/zinc/77/75/38/386777538.db2.gz NESIRVCTEXOSNC-GHMZBOCLSA-N 2 2 225.336 0.291 20 0 BCADLP C[NH+](C)[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000334638614 386777542 /nfs/dbraw/zinc/77/75/42/386777542.db2.gz NESIRVCTEXOSNC-GHMZBOCLSA-N 2 2 225.336 0.291 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477890 386781943 /nfs/dbraw/zinc/78/19/43/386781943.db2.gz QTRIBTRLNOKWJJ-ZJUUUORDSA-N 2 2 213.325 0.134 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477890 386781949 /nfs/dbraw/zinc/78/19/49/386781949.db2.gz QTRIBTRLNOKWJJ-ZJUUUORDSA-N 2 2 213.325 0.134 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1CC(C(C)(C)O)C1)C1CC1 ZINC000357451562 386783642 /nfs/dbraw/zinc/78/36/42/386783642.db2.gz JWKIMBLKZVAFJQ-GFCCVEGCSA-N 2 2 242.363 0.144 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC(C(C)(C)O)C1)C1CC1 ZINC000357451562 386783647 /nfs/dbraw/zinc/78/36/47/386783647.db2.gz JWKIMBLKZVAFJQ-GFCCVEGCSA-N 2 2 242.363 0.144 20 0 BCADLP CC[N@H+](C)CC[NH2+][C@H]1CCOC[C@@H]1C ZINC000192521032 386789291 /nfs/dbraw/zinc/78/92/91/386789291.db2.gz UQWZZTNOZXYYLK-QWRGUYRKSA-N 2 2 200.326 0.953 20 0 BCADLP CC[N@@H+](C)CC[NH2+][C@H]1CCOC[C@@H]1C ZINC000192521032 386789296 /nfs/dbraw/zinc/78/92/96/386789296.db2.gz UQWZZTNOZXYYLK-QWRGUYRKSA-N 2 2 200.326 0.953 20 0 BCADLP CS[C@@H]1CN(Cc2c[nH+]c[nH]2)C[C@@H]1[NH+](C)C ZINC000280293820 386800512 /nfs/dbraw/zinc/80/05/12/386800512.db2.gz UWMVKZJGTQFTJH-WDEREUQCSA-N 2 2 240.376 0.887 20 0 BCADLP CS[C@@H]1CN(Cc2c[nH]c[nH+]2)C[C@@H]1[NH+](C)C ZINC000280293820 386800518 /nfs/dbraw/zinc/80/05/18/386800518.db2.gz UWMVKZJGTQFTJH-WDEREUQCSA-N 2 2 240.376 0.887 20 0 BCADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N1CCC1 ZINC000329854467 386811450 /nfs/dbraw/zinc/81/14/50/386811450.db2.gz WKTYLRKKYDMCFX-UHFFFAOYSA-N 2 2 248.330 0.821 20 0 BCADLP CC[N@H+](CCCn1cc[nH+]c1)[C@@H](C)CO ZINC000293436946 386815445 /nfs/dbraw/zinc/81/54/45/386815445.db2.gz OIFZDOZNKIJWBM-NSHDSACASA-N 2 2 211.309 0.976 20 0 BCADLP CC[N@@H+](CCCn1cc[nH+]c1)[C@@H](C)CO ZINC000293436946 386815447 /nfs/dbraw/zinc/81/54/47/386815447.db2.gz OIFZDOZNKIJWBM-NSHDSACASA-N 2 2 211.309 0.976 20 0 BCADLP CC(C)n1c[nH+]cc1C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000425338826 386838572 /nfs/dbraw/zinc/83/85/72/386838572.db2.gz QJCPAMFUYVBBGC-ZYHUDNBSSA-N 2 2 239.319 0.392 20 0 BCADLP CC(C)n1c[nH+]cc1C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000425338826 386838574 /nfs/dbraw/zinc/83/85/74/386838574.db2.gz QJCPAMFUYVBBGC-ZYHUDNBSSA-N 2 2 239.319 0.392 20 0 BCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414937343 386845151 /nfs/dbraw/zinc/84/51/51/386845151.db2.gz VMSBCZOJHXSBLZ-OUAUKWLOSA-N 2 2 248.392 0.397 20 0 BCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000414937341 386846869 /nfs/dbraw/zinc/84/68/69/386846869.db2.gz VMSBCZOJHXSBLZ-GARJFASQSA-N 2 2 248.392 0.397 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@H](C)C[NH+](C)C ZINC000293636936 386852708 /nfs/dbraw/zinc/85/27/08/386852708.db2.gz DCLBTXGFDVCAKC-VIFPVBQESA-N 2 2 238.335 0.575 20 0 BCADLP CN(CC[N@@H+]1CCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000358112031 386892991 /nfs/dbraw/zinc/89/29/91/386892991.db2.gz AEVSFEQTQOMFDZ-CQSZACIVSA-N 2 2 249.358 0.782 20 0 BCADLP CN(CC[N@H+]1CCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000358112031 386892997 /nfs/dbraw/zinc/89/29/97/386892997.db2.gz AEVSFEQTQOMFDZ-CQSZACIVSA-N 2 2 249.358 0.782 20 0 BCADLP O=C1CC[C@@H]([NH2+]Cc2c[nH+]c[nH]2)[C@@H](C2CC2)N1 ZINC000341241843 386858106 /nfs/dbraw/zinc/85/81/06/386858106.db2.gz ZZMABBJMGAXAHW-ZYHUDNBSSA-N 2 2 234.303 0.557 20 0 BCADLP C[NH+]1CCC([NH2+]Cc2cc(C(N)=O)co2)CC1 ZINC000341357938 386894195 /nfs/dbraw/zinc/89/41/95/386894195.db2.gz AKQKODHPXYCQPV-UHFFFAOYSA-N 2 2 237.303 0.562 20 0 BCADLP Cn1c[nH+]cc1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000334833933 386872538 /nfs/dbraw/zinc/87/25/38/386872538.db2.gz DCJXEOBLBLDEDN-PHIMTYICSA-N 2 2 220.320 0.746 20 0 BCADLP CN(C)c1ccccc1C[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000357964878 386873380 /nfs/dbraw/zinc/87/33/80/386873380.db2.gz JWVMVFVLGOJLAR-CYBMUJFWSA-N 2 2 249.358 0.912 20 0 BCADLP CN(C)c1ccccc1C[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000357964878 386873384 /nfs/dbraw/zinc/87/33/84/386873384.db2.gz JWVMVFVLGOJLAR-CYBMUJFWSA-N 2 2 249.358 0.912 20 0 BCADLP CNC(=O)c1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000334840256 386884687 /nfs/dbraw/zinc/88/46/87/386884687.db2.gz BYYRYBPYUCGBAT-GWCFXTLKSA-N 2 2 247.342 0.968 20 0 BCADLP CNC(=O)c1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000334840256 386884696 /nfs/dbraw/zinc/88/46/96/386884696.db2.gz BYYRYBPYUCGBAT-GWCFXTLKSA-N 2 2 247.342 0.968 20 0 BCADLP CC[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000335760902 386898385 /nfs/dbraw/zinc/89/83/85/386898385.db2.gz SWGOYPXHQUUMSQ-GHMZBOCLSA-N 2 2 227.352 0.489 20 0 BCADLP CC[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000335760903 386898684 /nfs/dbraw/zinc/89/86/84/386898684.db2.gz SWGOYPXHQUUMSQ-MNOVXSKESA-N 2 2 227.352 0.489 20 0 BCADLP CC(=O)[C@@](C)(O)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000330859742 386902985 /nfs/dbraw/zinc/90/29/85/386902985.db2.gz PBBDVNCUGMZBKK-ZDUSSCGKSA-N 2 2 242.363 0.789 20 0 BCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cnn(C)c1 ZINC000330889836 386910703 /nfs/dbraw/zinc/91/07/03/386910703.db2.gz VQFORQQNXABONT-JQWIXIFHSA-N 2 2 238.335 0.137 20 0 BCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cnn(C)c1 ZINC000330889836 386910707 /nfs/dbraw/zinc/91/07/07/386910707.db2.gz VQFORQQNXABONT-JQWIXIFHSA-N 2 2 238.335 0.137 20 0 BCADLP Cc1n[nH]cc1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000334866086 386923062 /nfs/dbraw/zinc/92/30/62/386923062.db2.gz WNUFTOJPYAWOEX-KCJUWKMLSA-N 2 2 208.309 0.806 20 0 BCADLP Cc1csc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)n1 ZINC000336762359 386931524 /nfs/dbraw/zinc/93/15/24/386931524.db2.gz LFGFLYRZKPKPQF-NSHDSACASA-N 2 2 241.360 0.608 20 0 BCADLP Cc1csc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)n1 ZINC000336762359 386931529 /nfs/dbraw/zinc/93/15/29/386931529.db2.gz LFGFLYRZKPKPQF-NSHDSACASA-N 2 2 241.360 0.608 20 0 BCADLP C[C@@]1(C[NH2+][C@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000334873126 386933055 /nfs/dbraw/zinc/93/30/55/386933055.db2.gz HENIRLDLVKULQV-NWDGAFQWSA-N 3 2 211.353 0.718 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645468981 386935819 /nfs/dbraw/zinc/93/58/19/386935819.db2.gz FZRWPULTJXZRTL-NXEZZACHSA-N 2 2 236.319 0.386 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645468984 386936403 /nfs/dbraw/zinc/93/64/03/386936403.db2.gz FZRWPULTJXZRTL-ZJUUUORDSA-N 2 2 236.319 0.386 20 0 BCADLP Cn1nccc1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000334875650 386937559 /nfs/dbraw/zinc/93/75/59/386937559.db2.gz XRMKYNUWWZRLNC-SNVBAGLBSA-N 2 2 208.309 0.650 20 0 BCADLP C[NH+](C)Cc1cnc(C[NH2+]C2(CO)CC2)s1 ZINC000336763070 386938132 /nfs/dbraw/zinc/93/81/32/386938132.db2.gz LWFJDRZWEGOIOI-UHFFFAOYSA-N 2 2 241.360 0.819 20 0 BCADLP COC[C@H](C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)OC ZINC000358428966 386955052 /nfs/dbraw/zinc/95/50/52/386955052.db2.gz FFJQSVIUZJJUIZ-WCFLWFBJSA-N 2 2 242.363 0.720 20 0 BCADLP COC[C@H](C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)OC ZINC000358428966 386955054 /nfs/dbraw/zinc/95/50/54/386955054.db2.gz FFJQSVIUZJJUIZ-WCFLWFBJSA-N 2 2 242.363 0.720 20 0 BCADLP Cc1cc(NC(=O)N[C@@H]2CC[NH2+]C2)cc[nH+]1 ZINC000334826109 386959123 /nfs/dbraw/zinc/95/91/23/386959123.db2.gz SJJRFFHEVNJERS-SNVBAGLBSA-N 2 2 220.276 0.295 20 0 BCADLP C[NH+](C)CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000368460009 386975375 /nfs/dbraw/zinc/97/53/75/386975375.db2.gz YEJWXWCGGDENPX-SECBINFHSA-N 2 2 236.319 0.507 20 0 BCADLP C[NH+](C)CCNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000368460009 386975378 /nfs/dbraw/zinc/97/53/78/386975378.db2.gz YEJWXWCGGDENPX-SECBINFHSA-N 2 2 236.319 0.507 20 0 BCADLP CCC([NH3+])(CC)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368485164 386978356 /nfs/dbraw/zinc/97/83/56/386978356.db2.gz FNIASPDJPIPLCB-MRVPVSSYSA-N 2 2 249.305 0.617 20 0 BCADLP CC(C)(O)CC[N@H+]1CCCC[C@H]1C(=[NH2+])NO ZINC000368526075 386985034 /nfs/dbraw/zinc/98/50/34/386985034.db2.gz RFSQTFBAKKTZQZ-VIFPVBQESA-N 2 2 229.324 0.958 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000334820426 386948832 /nfs/dbraw/zinc/94/88/32/386948832.db2.gz HXALCUGPTWUWJH-BDAKNGLRSA-N 2 2 222.292 0.669 20 0 BCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368204473 386950611 /nfs/dbraw/zinc/95/06/11/386950611.db2.gz VBDCQDXLYOOALJ-UWVGGRQHSA-N 2 2 240.282 0.089 20 0 BCADLP Cc1cc(NC(=O)N(C)[C@H](C)C[NH3+])cc[nH+]1 ZINC000334822940 386951103 /nfs/dbraw/zinc/95/11/03/386951103.db2.gz GZLCRAMDJMKDPD-SECBINFHSA-N 2 2 222.292 0.623 20 0 BCADLP CC[C@@H](NC[C@H](O)C[NH+](C)C)c1[nH+]ccn1C ZINC000341696357 386952290 /nfs/dbraw/zinc/95/22/90/386952290.db2.gz DZZVPTIPGXCUTK-WDEREUQCSA-N 2 2 240.351 0.383 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@](C)(O)C2)C1 ZINC000417403507 387030211 /nfs/dbraw/zinc/03/02/11/387030211.db2.gz NVPNYQDGVILIGG-UTUOFQBUSA-N 2 2 228.336 0.210 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@](C)(O)C2)C1 ZINC000417403507 387030217 /nfs/dbraw/zinc/03/02/17/387030217.db2.gz NVPNYQDGVILIGG-UTUOFQBUSA-N 2 2 228.336 0.210 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000333463042 387037445 /nfs/dbraw/zinc/03/74/45/387037445.db2.gz GXDDRVLYHLVQBV-FDYHWXHSSA-N 3 2 241.379 0.613 20 0 BCADLP CSC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000514656899 387047301 /nfs/dbraw/zinc/04/73/01/387047301.db2.gz FRBOTOHZLUKJQP-TUAOUCFPSA-N 2 2 244.404 0.879 20 0 BCADLP CSC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000514656899 387047303 /nfs/dbraw/zinc/04/73/03/387047303.db2.gz FRBOTOHZLUKJQP-TUAOUCFPSA-N 2 2 244.404 0.879 20 0 BCADLP CSC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000514656899 387047308 /nfs/dbraw/zinc/04/73/08/387047308.db2.gz FRBOTOHZLUKJQP-TUAOUCFPSA-N 2 2 244.404 0.879 20 0 BCADLP CSC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000514656899 387047310 /nfs/dbraw/zinc/04/73/10/387047310.db2.gz FRBOTOHZLUKJQP-TUAOUCFPSA-N 2 2 244.404 0.879 20 0 BCADLP Nc1[nH+]cnc(N2CC[C@@H]3C[NH2+]C[C@@H]32)c1Cl ZINC000333653262 387048386 /nfs/dbraw/zinc/04/83/86/387048386.db2.gz KDTDVMKGNRZIHS-RQJHMYQMSA-N 2 2 239.710 0.510 20 0 BCADLP CO[C@H]1CC[N@H+](CCOCC2CC2)[C@@H](C[NH3+])C1 ZINC000359050184 387049033 /nfs/dbraw/zinc/04/90/33/387049033.db2.gz XZJSWHHZXNWWEV-OLZOCXBDSA-N 2 2 242.363 0.851 20 0 BCADLP CO[C@H]1CC[N@@H+](CCOCC2CC2)[C@@H](C[NH3+])C1 ZINC000359050184 387049041 /nfs/dbraw/zinc/04/90/41/387049041.db2.gz XZJSWHHZXNWWEV-OLZOCXBDSA-N 2 2 242.363 0.851 20 0 BCADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)NC1CC1 ZINC000333721843 387051628 /nfs/dbraw/zinc/05/16/28/387051628.db2.gz UUAOBRIYVLRQDY-FYLLDIAZSA-N 2 2 239.363 0.630 20 0 BCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCCC[C@@H]1O ZINC000333784431 387056645 /nfs/dbraw/zinc/05/66/45/387056645.db2.gz FDEHLRBYMNBKLQ-CYDGBPFRSA-N 2 2 242.363 0.647 20 0 BCADLP Cc1n[nH]c(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)n1 ZINC000392390552 387058735 /nfs/dbraw/zinc/05/87/35/387058735.db2.gz UIDZUIPPQRVNIK-ONGXEEELSA-N 2 2 237.351 0.776 20 0 BCADLP Cc1nc(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)n[nH]1 ZINC000392390552 387058738 /nfs/dbraw/zinc/05/87/38/387058738.db2.gz UIDZUIPPQRVNIK-ONGXEEELSA-N 2 2 237.351 0.776 20 0 BCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCC[C@H]1O ZINC000333245402 387022857 /nfs/dbraw/zinc/02/28/57/387022857.db2.gz FPXJPKZTPXDHIM-WUHRBBMRSA-N 2 2 242.363 0.504 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCC[C@H]1O ZINC000333245401 387023458 /nfs/dbraw/zinc/02/34/58/387023458.db2.gz FPXJPKZTPXDHIM-MROQNXINSA-N 2 2 242.363 0.504 20 0 BCADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000333282462 387025605 /nfs/dbraw/zinc/02/56/05/387025605.db2.gz MRVIPYMXZGTSPO-QJPTWQEYSA-N 3 2 211.353 0.846 20 0 BCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NCC1CCC1 ZINC000359272886 387076631 /nfs/dbraw/zinc/07/66/31/387076631.db2.gz IYVQPRZFBYPKSX-RYUDHWBXSA-N 2 2 237.347 0.054 20 0 BCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCC1CCC1 ZINC000359272894 387077664 /nfs/dbraw/zinc/07/76/64/387077664.db2.gz IYVQPRZFBYPKSX-TXEJJXNPSA-N 2 2 237.347 0.054 20 0 BCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCC1CCC1 ZINC000359272894 387077669 /nfs/dbraw/zinc/07/76/69/387077669.db2.gz IYVQPRZFBYPKSX-TXEJJXNPSA-N 2 2 237.347 0.054 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000070854760 387078227 /nfs/dbraw/zinc/07/82/27/387078227.db2.gz GWGSBZFFYJPZQG-VIFPVBQESA-N 2 2 222.292 0.178 20 0 BCADLP CCn1c[nH+]cc1CN(C)CC[NH+](C)C ZINC000418075881 387088133 /nfs/dbraw/zinc/08/81/33/387088133.db2.gz ZWZOUXZGBPRWOC-UHFFFAOYSA-N 2 2 210.325 0.896 20 0 BCADLP c1nc2cnccn2c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359456464 387104619 /nfs/dbraw/zinc/10/46/19/387104619.db2.gz GNNNXFDZKZNKJK-QWRGUYRKSA-N 2 2 243.314 0.381 20 0 BCADLP CN(C)c1nccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000359472058 387107772 /nfs/dbraw/zinc/10/77/72/387107772.db2.gz JYMKBNKMKCIGRU-QWRGUYRKSA-N 2 2 247.346 0.194 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@@]2(C)CCC[NH2+]C2)c[nH+]1 ZINC000335025654 387115758 /nfs/dbraw/zinc/11/57/58/387115758.db2.gz HZRHLWQJCZHTKS-LBPRGKRZSA-N 2 2 236.319 0.838 20 0 BCADLP Cc1[nH]c(C(=O)NCC2(C)CC[NH2+]CC2)c[nH+]1 ZINC000335024641 387116936 /nfs/dbraw/zinc/11/69/36/387116936.db2.gz BZMUIACAWBDUEP-UHFFFAOYSA-N 2 2 236.319 0.838 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]CCCCCO)n1C ZINC000229106513 387141762 /nfs/dbraw/zinc/14/17/62/387141762.db2.gz GIFFXTVXMICHAZ-UHFFFAOYSA-N 2 2 240.351 0.738 20 0 BCADLP CCC[NH2+]CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423312653 387151505 /nfs/dbraw/zinc/15/15/05/387151505.db2.gz SITSTACOWOVAAB-RYUDHWBXSA-N 3 2 213.369 0.964 20 0 BCADLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000571785045 387170678 /nfs/dbraw/zinc/17/06/78/387170678.db2.gz MHYUXCMVWWLNOS-UHFFFAOYSA-N 2 2 222.292 0.094 20 0 BCADLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000571785045 387170682 /nfs/dbraw/zinc/17/06/82/387170682.db2.gz MHYUXCMVWWLNOS-UHFFFAOYSA-N 2 2 222.292 0.094 20 0 BCADLP O=C1OC[C@H]2C[N@H+](CCn3cc[nH+]c3)CCN12 ZINC000371199004 387171977 /nfs/dbraw/zinc/17/19/77/387171977.db2.gz QDFBCUSVFAKGQE-SNVBAGLBSA-N 2 2 236.275 0.020 20 0 BCADLP O=C1OC[C@H]2C[N@@H+](CCn3cc[nH+]c3)CCN12 ZINC000371199004 387171984 /nfs/dbraw/zinc/17/19/84/387171984.db2.gz QDFBCUSVFAKGQE-SNVBAGLBSA-N 2 2 236.275 0.020 20 0 BCADLP CC[C@@]1(C(=O)NCCn2cc[nH+]c2)CC[NH2+]C1 ZINC000062901039 387179478 /nfs/dbraw/zinc/17/94/78/387179478.db2.gz YAYWUVBNKHGORD-GFCCVEGCSA-N 2 2 236.319 0.389 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ncnn1C ZINC000353336870 387182373 /nfs/dbraw/zinc/18/23/73/387182373.db2.gz OXCVGWITQIDREW-OUAUKWLOSA-N 2 2 237.351 0.948 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ncnn1C ZINC000353336870 387182376 /nfs/dbraw/zinc/18/23/76/387182376.db2.gz OXCVGWITQIDREW-OUAUKWLOSA-N 2 2 237.351 0.948 20 0 BCADLP CC[C@H](Cn1cncn1)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000353392451 387191682 /nfs/dbraw/zinc/19/16/82/387191682.db2.gz ZMRABSWNHLZKFV-VXGBXAGGSA-N 2 2 248.334 0.932 20 0 BCADLP COC(=O)[C@@H](C1CC1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000359600541 387132695 /nfs/dbraw/zinc/13/26/95/387132695.db2.gz REGKEFLRHCYNAI-CMPLNLGQSA-N 2 2 240.347 0.822 20 0 BCADLP COC(=O)[C@@H](C1CC1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000359600541 387132698 /nfs/dbraw/zinc/13/26/98/387132698.db2.gz REGKEFLRHCYNAI-CMPLNLGQSA-N 2 2 240.347 0.822 20 0 BCADLP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000423352261 387203319 /nfs/dbraw/zinc/20/33/19/387203319.db2.gz AENIPDFTCZXPMM-QJPTWQEYSA-N 3 2 211.353 0.859 20 0 BCADLP CC[C@H](Cn1cncn1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423355953 387206743 /nfs/dbraw/zinc/20/67/43/387206743.db2.gz GBJVKQLZAAWCGH-UTUOFQBUSA-N 2 2 237.351 0.644 20 0 BCADLP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@@H](CO)O1 ZINC000230016811 387226804 /nfs/dbraw/zinc/22/68/04/387226804.db2.gz JNBGYNQFDXKSDT-NEPJUHHUSA-N 2 2 239.319 0.355 20 0 BCADLP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@@H](CO)O1 ZINC000230016811 387226809 /nfs/dbraw/zinc/22/68/09/387226809.db2.gz JNBGYNQFDXKSDT-NEPJUHHUSA-N 2 2 239.319 0.355 20 0 BCADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]2CCC[C@H]21 ZINC000423420055 387248428 /nfs/dbraw/zinc/24/84/28/387248428.db2.gz AQZUNBCJMHXBHN-WCQYUDONSA-N 3 2 235.375 0.667 20 0 BCADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]2CCC[C@H]21 ZINC000423420055 387248429 /nfs/dbraw/zinc/24/84/29/387248429.db2.gz AQZUNBCJMHXBHN-WCQYUDONSA-N 3 2 235.375 0.667 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]Cc2ccn(C)n2)CC[N@@H+]1C ZINC000097604739 387251769 /nfs/dbraw/zinc/25/17/69/387251769.db2.gz ICGDEIDLIZWORE-QWRGUYRKSA-N 2 2 222.336 0.992 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]Cc2ccn(C)n2)CC[N@H+]1C ZINC000097604739 387251772 /nfs/dbraw/zinc/25/17/72/387251772.db2.gz ICGDEIDLIZWORE-QWRGUYRKSA-N 2 2 222.336 0.992 20 0 BCADLP C[NH+](C)CC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000571922819 387199682 /nfs/dbraw/zinc/19/96/82/387199682.db2.gz DAVHESCQZFSPRG-UHFFFAOYSA-N 2 2 213.325 0.101 20 0 BCADLP C[NH+](C)CC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000571922819 387199689 /nfs/dbraw/zinc/19/96/89/387199689.db2.gz DAVHESCQZFSPRG-UHFFFAOYSA-N 2 2 213.325 0.101 20 0 BCADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423391279 387276402 /nfs/dbraw/zinc/27/64/02/387276402.db2.gz KQQFMJGFNQOTDP-WHOHXGKFSA-N 3 2 211.353 0.572 20 0 BCADLP CC/C=C\CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000572227735 387281922 /nfs/dbraw/zinc/28/19/22/387281922.db2.gz VTPUVXPBJLNRRF-DOGVGXBMSA-N 2 2 240.351 0.237 20 0 BCADLP CC[NH2+]CCC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000643499229 387285626 /nfs/dbraw/zinc/28/56/26/387285626.db2.gz LOHAVVMUYDEGQL-NWDGAFQWSA-N 3 2 229.368 0.343 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000423443681 387293150 /nfs/dbraw/zinc/29/31/50/387293150.db2.gz XFUFBOFPLGYHOD-GWCFXTLKSA-N 2 2 247.342 0.727 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1cccc(O)c1 ZINC000423522718 387354114 /nfs/dbraw/zinc/35/41/14/387354114.db2.gz RMJNZVCQPQGISF-YPMHNXCESA-N 2 2 249.358 0.946 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360817076 387354513 /nfs/dbraw/zinc/35/45/13/387354513.db2.gz LRQFHYHRUDGROH-CIUDSAMLSA-N 2 2 247.289 0.227 20 0 BCADLP Cc1cc(NC(=O)N[C@H](C)C[NH3+])c(C)c[nH+]1 ZINC000572375378 387354466 /nfs/dbraw/zinc/35/44/66/387354466.db2.gz QDOXOXTZAAMERT-SECBINFHSA-N 2 2 222.292 0.589 20 0 BCADLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)C(C)C ZINC000423522990 387354748 /nfs/dbraw/zinc/35/47/48/387354748.db2.gz MQDBNLXYKPYUFR-MNOVXSKESA-N 2 2 200.326 0.999 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccco1 ZINC000423527583 387355049 /nfs/dbraw/zinc/35/50/49/387355049.db2.gz RYPICNWBTUTLOT-UWVGGRQHSA-N 2 2 210.277 0.919 20 0 BCADLP CC(C)C1CC([NH2+]C[C@H]2C[NH2+]CCO2)C1 ZINC000423560115 387374776 /nfs/dbraw/zinc/37/47/76/387374776.db2.gz JMOGCBXMHMGHRK-HTAVTVPLSA-N 2 2 212.337 0.999 20 0 BCADLP COCC1CCC([NH2+]C[C@@H]2C[NH2+]CCO2)CC1 ZINC000423580482 387382430 /nfs/dbraw/zinc/38/24/30/387382430.db2.gz XTUXRNLOYCFMGA-BPCQOVAHSA-N 2 2 242.363 0.770 20 0 BCADLP CN(C)C(=O)CC[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000572378950 387351690 /nfs/dbraw/zinc/35/16/90/387351690.db2.gz YJVKWYBZXYQMQV-UHFFFAOYSA-N 2 2 239.363 0.668 20 0 BCADLP CN(C)C(=O)CC[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000572378950 387351695 /nfs/dbraw/zinc/35/16/95/387351695.db2.gz YJVKWYBZXYQMQV-UHFFFAOYSA-N 2 2 239.363 0.668 20 0 BCADLP Cc1cc(N2CCO[C@H](C[NH3+])C2)nc(C2CC2)[nH+]1 ZINC000515814866 387424684 /nfs/dbraw/zinc/42/46/84/387424684.db2.gz YOSWGBRUVFPWBU-LLVKDONJSA-N 2 2 248.330 0.826 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC000643469804 387428410 /nfs/dbraw/zinc/42/84/10/387428410.db2.gz UBIOUUHGUKIVPP-ZYHUDNBSSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@@H]([NH2+]CC(=O)NC1CCCC1)[C@H]1CCC[NH2+]1 ZINC000643469798 387429347 /nfs/dbraw/zinc/42/93/47/387429347.db2.gz PMBPSAOXLZISSJ-ZYHUDNBSSA-N 2 2 239.363 0.775 20 0 BCADLP COC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374209437 387432966 /nfs/dbraw/zinc/43/29/66/387432966.db2.gz BLLFLUWRWSXLQV-UHFFFAOYSA-N 2 2 223.276 0.762 20 0 BCADLP C[N@@H+]1CCCC12CC[NH+]([C@H]1COC[C@H]1O)CC2 ZINC000361348058 387444446 /nfs/dbraw/zinc/44/44/46/387444446.db2.gz GVLQZIXZXNOZJR-NWDGAFQWSA-N 2 2 240.347 0.306 20 0 BCADLP C[N@H+]1CCCC12CC[NH+]([C@H]1COC[C@H]1O)CC2 ZINC000361348058 387444449 /nfs/dbraw/zinc/44/44/49/387444449.db2.gz GVLQZIXZXNOZJR-NWDGAFQWSA-N 2 2 240.347 0.306 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H](C[NH3+])C(C)(C)C)c[nH+]1 ZINC000423947024 387454523 /nfs/dbraw/zinc/45/45/23/387454523.db2.gz DATQAQRKKPDFDB-SECBINFHSA-N 2 2 224.308 0.821 20 0 BCADLP C[NH+](C)CC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000336617931 387458668 /nfs/dbraw/zinc/45/86/68/387458668.db2.gz IAXRMNCRQLYGEN-UHFFFAOYSA-N 2 2 225.336 0.245 20 0 BCADLP CCC[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)[NH+](C)C ZINC000354524219 387390595 /nfs/dbraw/zinc/39/05/95/387390595.db2.gz WUVMGYXCJVTUPW-NWDGAFQWSA-N 2 2 241.379 0.879 20 0 BCADLP CCC[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)[NH+](C)C ZINC000354524219 387390598 /nfs/dbraw/zinc/39/05/98/387390598.db2.gz WUVMGYXCJVTUPW-NWDGAFQWSA-N 2 2 241.379 0.879 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H](C)CCCC[NH3+])c[nH+]1 ZINC000423650082 387392119 /nfs/dbraw/zinc/39/21/19/387392119.db2.gz JUADRCCVZBMLNC-MRVPVSSYSA-N 2 2 224.308 0.965 20 0 BCADLP CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000354983043 387460443 /nfs/dbraw/zinc/46/04/43/387460443.db2.gz NTMAAPMTODNGDE-YVECIDJPSA-N 2 2 242.363 0.720 20 0 BCADLP CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000354983043 387460445 /nfs/dbraw/zinc/46/04/45/387460445.db2.gz NTMAAPMTODNGDE-YVECIDJPSA-N 2 2 242.363 0.720 20 0 BCADLP COC(=O)CC[N@H+](C[C@H](C)[NH3+])C[C@H]1CCCO1 ZINC000515649564 387414527 /nfs/dbraw/zinc/41/45/27/387414527.db2.gz FXTDJBIWDFUTQM-WDEREUQCSA-N 2 2 244.335 0.378 20 0 BCADLP COC(=O)CC[N@@H+](C[C@H](C)[NH3+])C[C@H]1CCCO1 ZINC000515649564 387414536 /nfs/dbraw/zinc/41/45/36/387414536.db2.gz FXTDJBIWDFUTQM-WDEREUQCSA-N 2 2 244.335 0.378 20 0 BCADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)[C@H]1CCC[NH2+]1 ZINC000643474906 387496326 /nfs/dbraw/zinc/49/63/26/387496326.db2.gz MDAMZZNTSZATSU-XQHKEYJVSA-N 2 2 241.379 0.436 20 0 BCADLP COC(=O)CC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000375231053 387519848 /nfs/dbraw/zinc/51/98/48/387519848.db2.gz VOJFCZIOHUTLEF-GHMZBOCLSA-N 2 2 226.320 0.576 20 0 BCADLP COC(=O)CC[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000375231053 387519850 /nfs/dbraw/zinc/51/98/50/387519850.db2.gz VOJFCZIOHUTLEF-GHMZBOCLSA-N 2 2 226.320 0.576 20 0 BCADLP COC(=O)CC[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000375231053 387519857 /nfs/dbraw/zinc/51/98/57/387519857.db2.gz VOJFCZIOHUTLEF-GHMZBOCLSA-N 2 2 226.320 0.576 20 0 BCADLP COC(=O)CC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000375231053 387519863 /nfs/dbraw/zinc/51/98/63/387519863.db2.gz VOJFCZIOHUTLEF-GHMZBOCLSA-N 2 2 226.320 0.576 20 0 BCADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643508266 387481661 /nfs/dbraw/zinc/48/16/61/387481661.db2.gz ZRZNJFHQZKCTOJ-JQWIXIFHSA-N 3 2 211.353 0.846 20 0 BCADLP C[N@H+](CCC[NH+]1CCCCC1)[C@@H]1COC[C@@H]1O ZINC000352803700 387492357 /nfs/dbraw/zinc/49/23/57/387492357.db2.gz ZBQZTYZEJUPMAU-OLZOCXBDSA-N 2 2 242.363 0.554 20 0 BCADLP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1COC[C@@H]1O ZINC000352803700 387492359 /nfs/dbraw/zinc/49/23/59/387492359.db2.gz ZBQZTYZEJUPMAU-OLZOCXBDSA-N 2 2 242.363 0.554 20 0 BCADLP Cn1nncc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000375776233 387581983 /nfs/dbraw/zinc/58/19/83/387581983.db2.gz GBAAWZIXYWVJQS-LLVKDONJSA-N 2 2 237.351 0.731 20 0 BCADLP Cn1nncc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000375776233 387581987 /nfs/dbraw/zinc/58/19/87/387581987.db2.gz GBAAWZIXYWVJQS-LLVKDONJSA-N 2 2 237.351 0.731 20 0 BCADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C)C)CC[N@@H+]1C ZINC000123806281 387596238 /nfs/dbraw/zinc/59/62/38/387596238.db2.gz CGZBCGRWAUWMHP-GHMZBOCLSA-N 2 2 227.352 0.489 20 0 BCADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C)C)CC[N@H+]1C ZINC000123806281 387596244 /nfs/dbraw/zinc/59/62/44/387596244.db2.gz CGZBCGRWAUWMHP-GHMZBOCLSA-N 2 2 227.352 0.489 20 0 BCADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N(C)C)CC[NH+]1C ZINC000123806281 387596246 /nfs/dbraw/zinc/59/62/46/387596246.db2.gz CGZBCGRWAUWMHP-GHMZBOCLSA-N 2 2 227.352 0.489 20 0 BCADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N(C)C)CC[NH+]1C ZINC000123806281 387596249 /nfs/dbraw/zinc/59/62/49/387596249.db2.gz CGZBCGRWAUWMHP-GHMZBOCLSA-N 2 2 227.352 0.489 20 0 BCADLP Cc1cc(CNC(=O)N[C@@H](C)C[NH3+])cc(C)[nH+]1 ZINC000422610845 387607525 /nfs/dbraw/zinc/60/75/25/387607525.db2.gz QYMFXRKGSBIZAB-JTQLQIEISA-N 2 2 236.319 0.845 20 0 BCADLP C[NH2+]CCC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422631771 387611419 /nfs/dbraw/zinc/61/14/19/387611419.db2.gz FXICPZMPNUTUFC-UTUOFQBUSA-N 3 2 213.369 0.901 20 0 BCADLP C[NH2+]CCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422631771 387611427 /nfs/dbraw/zinc/61/14/27/387611427.db2.gz FXICPZMPNUTUFC-UTUOFQBUSA-N 3 2 213.369 0.901 20 0 BCADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nnnn2C)C[C@H]1C[NH3+] ZINC000422642788 387611636 /nfs/dbraw/zinc/61/16/36/387611636.db2.gz ZZBTULHDLNWHSF-OPRDCNLKSA-N 2 2 238.339 0.015 20 0 BCADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nnnn2C)C[C@H]1C[NH3+] ZINC000422642788 387611640 /nfs/dbraw/zinc/61/16/40/387611640.db2.gz ZZBTULHDLNWHSF-OPRDCNLKSA-N 2 2 238.339 0.015 20 0 BCADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422687713 387613723 /nfs/dbraw/zinc/61/37/23/387613723.db2.gz BYKASLQYIHTPCT-JHJVBQTASA-N 3 2 225.380 0.916 20 0 BCADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422687713 387613727 /nfs/dbraw/zinc/61/37/27/387613727.db2.gz BYKASLQYIHTPCT-JHJVBQTASA-N 3 2 225.380 0.916 20 0 BCADLP C[C@](C[NH3+])([NH2+]CC(=O)NCC1CC1)C1CC1 ZINC000430581576 387629598 /nfs/dbraw/zinc/62/95/98/387629598.db2.gz ULCVWTQWDJBMKX-GFCCVEGCSA-N 2 2 225.336 0.230 20 0 BCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccnc1 ZINC000037889093 387568206 /nfs/dbraw/zinc/56/82/06/387568206.db2.gz ZUUOCBFUDYMENO-ZYHUDNBSSA-N 2 2 223.320 0.655 20 0 BCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cncc(F)c1 ZINC000305171240 387569766 /nfs/dbraw/zinc/56/97/66/387569766.db2.gz ZVUMWVLVIPLMGD-SKDRFNHKSA-N 2 2 241.310 0.794 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCN1CCSCC1 ZINC000422718038 387630055 /nfs/dbraw/zinc/63/00/55/387630055.db2.gz WQWFFDUFYXWYLE-RYUDHWBXSA-N 2 2 243.420 0.623 20 0 BCADLP CC[N@H+](C)CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422718184 387631376 /nfs/dbraw/zinc/63/13/76/387631376.db2.gz PGTNJPUUJBFXEP-NEPJUHHUSA-N 3 2 213.369 0.916 20 0 BCADLP CC[N@@H+](C)CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422718184 387631378 /nfs/dbraw/zinc/63/13/78/387631378.db2.gz PGTNJPUUJBFXEP-NEPJUHHUSA-N 3 2 213.369 0.916 20 0 BCADLP CC(C)[C@@H](C)NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430581424 387631530 /nfs/dbraw/zinc/63/15/30/387631530.db2.gz IYYYQCQZONCNJS-MFKMUULPSA-N 2 2 241.379 0.864 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)Nc2ccncc2)C1 ZINC000430626859 387636002 /nfs/dbraw/zinc/63/60/02/387636002.db2.gz MKTQUZNMPNCGNR-LLVKDONJSA-N 2 2 248.330 0.113 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)Nc2ccncc2)C1 ZINC000430626859 387636007 /nfs/dbraw/zinc/63/60/07/387636007.db2.gz MKTQUZNMPNCGNR-LLVKDONJSA-N 2 2 248.330 0.113 20 0 BCADLP CC[NH+](CC)CCC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422726199 387636507 /nfs/dbraw/zinc/63/65/07/387636507.db2.gz DKHYTOXBCNKLIV-LLVKDONJSA-N 3 2 213.369 0.916 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCN1CCCC1=O ZINC000430645792 387636807 /nfs/dbraw/zinc/63/68/07/387636807.db2.gz OITBDIDKACMQQB-VXGBXAGGSA-N 2 2 239.363 0.811 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCN1CCCC1=O ZINC000430645792 387636809 /nfs/dbraw/zinc/63/68/09/387636809.db2.gz OITBDIDKACMQQB-VXGBXAGGSA-N 2 2 239.363 0.811 20 0 BCADLP C[C@H](C[N@@H+]1CCC[C@H](C[NH3+])C1)CS(C)(=O)=O ZINC000430669218 387637775 /nfs/dbraw/zinc/63/77/75/387637775.db2.gz SSQWJFQLNYDBJG-GHMZBOCLSA-N 2 2 248.392 0.338 20 0 BCADLP C[C@H](C[N@H+]1CCC[C@H](C[NH3+])C1)CS(C)(=O)=O ZINC000430669218 387637781 /nfs/dbraw/zinc/63/77/81/387637781.db2.gz SSQWJFQLNYDBJG-GHMZBOCLSA-N 2 2 248.392 0.338 20 0 BCADLP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)[NH+](C)C ZINC000422734822 387642745 /nfs/dbraw/zinc/64/27/45/387642745.db2.gz CZZGNRMMELYPSI-IJLUTSLNSA-N 3 2 213.369 0.914 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCN1CCOCC1 ZINC000422735623 387642817 /nfs/dbraw/zinc/64/28/17/387642817.db2.gz WJKBNCBPLXCSDR-CHWSQXEVSA-N 2 2 241.379 0.296 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1NCCC[NH+]1CCOCC1 ZINC000422735623 387642820 /nfs/dbraw/zinc/64/28/20/387642820.db2.gz WJKBNCBPLXCSDR-CHWSQXEVSA-N 2 2 241.379 0.296 20 0 BCADLP C[C@@H](C[NH2+][C@@H](C)CCC[NH3+])C[NH+]1CCOCC1 ZINC000422756104 387659047 /nfs/dbraw/zinc/65/90/47/387659047.db2.gz GFMSKJIOVOVJLH-STQMWFEESA-N 3 2 243.395 0.672 20 0 BCADLP C[C@H](C[NH2+][C@@H](C)CCC[NH3+])C[NH+]1CCOCC1 ZINC000422756102 387659555 /nfs/dbraw/zinc/65/95/55/387659555.db2.gz GFMSKJIOVOVJLH-OLZOCXBDSA-N 3 2 243.395 0.672 20 0 BCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422758173 387660848 /nfs/dbraw/zinc/66/08/48/387660848.db2.gz NPYYBIWORGQOPP-UTUOFQBUSA-N 3 2 211.353 0.940 20 0 BCADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422758173 387660850 /nfs/dbraw/zinc/66/08/50/387660850.db2.gz NPYYBIWORGQOPP-UTUOFQBUSA-N 3 2 211.353 0.940 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000430966860 387666477 /nfs/dbraw/zinc/66/64/77/387666477.db2.gz PTRNWFBZRXRBJD-AAEUAGOBSA-N 2 2 247.342 0.754 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000430966860 387666479 /nfs/dbraw/zinc/66/64/79/387666479.db2.gz PTRNWFBZRXRBJD-AAEUAGOBSA-N 2 2 247.342 0.754 20 0 BCADLP CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422770090 387667995 /nfs/dbraw/zinc/66/79/95/387667995.db2.gz PPBSYUFRGLGDNT-VWYCJHECSA-N 2 2 227.352 0.631 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422770087 387668368 /nfs/dbraw/zinc/66/83/68/387668368.db2.gz PPBSYUFRGLGDNT-AXFHLTTASA-N 2 2 227.352 0.631 20 0 BCADLP C[C@@H]([NH2+]CC(F)(F)CN)C1CC[NH+](C)CC1 ZINC000643519932 387673446 /nfs/dbraw/zinc/67/34/46/387673446.db2.gz JAHGZQPLOANVLP-SECBINFHSA-N 2 2 235.322 0.900 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@@H](O)[C@H]2CCCO2)n1C ZINC000527757779 387696378 /nfs/dbraw/zinc/69/63/78/387696378.db2.gz ROOHDMNVQPRELY-VXGBXAGGSA-N 2 2 239.319 0.358 20 0 BCADLP COC(=O)[C@H](C)[NH2+][C@H]1CCc2[nH+]c(C)cn2C1 ZINC000377824352 387752159 /nfs/dbraw/zinc/75/21/59/387752159.db2.gz RHBZLOGPJDPQRK-UWVGGRQHSA-N 2 2 237.303 0.657 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000527760324 387698643 /nfs/dbraw/zinc/69/86/43/387698643.db2.gz WYGFBZVOMLMRGX-WRWGMCAJSA-N 2 2 228.336 0.066 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000527760324 387698645 /nfs/dbraw/zinc/69/86/45/387698645.db2.gz WYGFBZVOMLMRGX-WRWGMCAJSA-N 2 2 228.336 0.066 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC2COC2)C[N@@H+]1C1CC1 ZINC000527817715 387707629 /nfs/dbraw/zinc/70/76/29/387707629.db2.gz OQUMBCXEERANSH-KOLCDFICSA-N 2 2 210.321 0.848 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC2COC2)C[N@H+]1C1CC1 ZINC000527817715 387707637 /nfs/dbraw/zinc/70/76/37/387707637.db2.gz OQUMBCXEERANSH-KOLCDFICSA-N 2 2 210.321 0.848 20 0 BCADLP C([NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000422817962 387714214 /nfs/dbraw/zinc/71/42/14/387714214.db2.gz IXGSLWBZESBLOY-RYUDHWBXSA-N 2 2 210.321 0.753 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000527789917 387715204 /nfs/dbraw/zinc/71/52/04/387715204.db2.gz QGCGSBRXTVPYCJ-ZYGVAYEYSA-N 2 2 210.321 0.705 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000527789917 387715211 /nfs/dbraw/zinc/71/52/11/387715211.db2.gz QGCGSBRXTVPYCJ-ZYGVAYEYSA-N 2 2 210.321 0.705 20 0 BCADLP CC[N@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCNC1=O ZINC000440965425 387718398 /nfs/dbraw/zinc/71/83/98/387718398.db2.gz ZYGBDMXETZUDIL-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP CC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCNC1=O ZINC000440965425 387718403 /nfs/dbraw/zinc/71/84/03/387718403.db2.gz ZYGBDMXETZUDIL-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP CC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]1CCNC1=O ZINC000440965425 387718405 /nfs/dbraw/zinc/71/84/05/387718405.db2.gz ZYGBDMXETZUDIL-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP CC[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]1CCNC1=O ZINC000440965425 387718409 /nfs/dbraw/zinc/71/84/09/387718409.db2.gz ZYGBDMXETZUDIL-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP CC[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCNC1=O ZINC000440965428 387718968 /nfs/dbraw/zinc/71/89/68/387718968.db2.gz ZYGBDMXETZUDIL-VXGBXAGGSA-N 2 2 239.363 0.681 20 0 BCADLP CC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCNC1=O ZINC000440965428 387718974 /nfs/dbraw/zinc/71/89/74/387718974.db2.gz ZYGBDMXETZUDIL-VXGBXAGGSA-N 2 2 239.363 0.681 20 0 BCADLP CC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCNC1=O ZINC000440965428 387718979 /nfs/dbraw/zinc/71/89/79/387718979.db2.gz ZYGBDMXETZUDIL-VXGBXAGGSA-N 2 2 239.363 0.681 20 0 BCADLP CC[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1CCNC1=O ZINC000440965428 387718983 /nfs/dbraw/zinc/71/89/83/387718983.db2.gz ZYGBDMXETZUDIL-VXGBXAGGSA-N 2 2 239.363 0.681 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H](C[NH3+])CC(C)C)c[nH+]1 ZINC000422831177 387723471 /nfs/dbraw/zinc/72/34/71/387723471.db2.gz JGFKEFPWDXYECO-VIFPVBQESA-N 2 2 224.308 0.821 20 0 BCADLP C[C@H]([NH2+][C@H]1CCCN(C)C1=O)[C@@H]1CCC[NH2+]1 ZINC000422833124 387726823 /nfs/dbraw/zinc/72/68/23/387726823.db2.gz YLZVFYAZWRVZDY-DCAQKATOSA-N 2 2 225.336 0.337 20 0 BCADLP COCC[N@H+](C)CCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422848133 387735317 /nfs/dbraw/zinc/73/53/17/387735317.db2.gz SNPJDISCMZKOBH-CHWSQXEVSA-N 3 2 243.395 0.542 20 0 BCADLP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422848133 387735320 /nfs/dbraw/zinc/73/53/20/387735320.db2.gz SNPJDISCMZKOBH-CHWSQXEVSA-N 3 2 243.395 0.542 20 0 BCADLP CC[C@H](O)CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422892147 387763001 /nfs/dbraw/zinc/76/30/01/387763001.db2.gz MJKSFDQDJVRLBI-AVGNSLFASA-N 2 2 242.363 0.504 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422916871 387774068 /nfs/dbraw/zinc/77/40/68/387774068.db2.gz BTEKEDZEIRUYOI-UMNHJUIQSA-N 2 2 237.347 0.480 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000422919071 387775555 /nfs/dbraw/zinc/77/55/55/387775555.db2.gz JBRUMSGFQOLKGR-JFGNBEQYSA-N 2 2 237.347 0.337 20 0 BCADLP CC(C)NC(=O)CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422934069 387783247 /nfs/dbraw/zinc/78/32/47/387783247.db2.gz FCTDPWOPBDCFHZ-MNOVXSKESA-N 2 2 227.352 0.489 20 0 BCADLP CO[C@H](C)CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422899802 387784808 /nfs/dbraw/zinc/78/48/08/387784808.db2.gz IFSJBTOKCPTHDX-WXHSDQCUSA-N 2 2 242.363 0.768 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000442650369 387812794 /nfs/dbraw/zinc/81/27/94/387812794.db2.gz PBLDIFYHPHFPFH-CHWSQXEVSA-N 2 2 241.379 0.520 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000442650369 387812796 /nfs/dbraw/zinc/81/27/96/387812796.db2.gz PBLDIFYHPHFPFH-CHWSQXEVSA-N 2 2 241.379 0.520 20 0 BCADLP [NH3+][C@@H]1C[C@@H]1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000424148960 387789354 /nfs/dbraw/zinc/78/93/54/387789354.db2.gz VMGDUYAOGQYAJN-DTWKUNHWSA-N 3 2 243.270 0.553 20 0 BCADLP CCn1nncc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000527921446 387789457 /nfs/dbraw/zinc/78/94/57/387789457.db2.gz YDWQOWJCNGOKAB-WDEREUQCSA-N 2 2 237.351 0.870 20 0 BCADLP CCn1nncc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000527921446 387789462 /nfs/dbraw/zinc/78/94/62/387789462.db2.gz YDWQOWJCNGOKAB-WDEREUQCSA-N 2 2 237.351 0.870 20 0 BCADLP COC[C@@H](CCO)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422982000 387794360 /nfs/dbraw/zinc/79/43/60/387794360.db2.gz UZPLNWKJRYLNRF-QJPTWQEYSA-N 2 2 230.352 0.504 20 0 BCADLP C[NH+](C)C1CC[NH+](CCN2CCCC2=O)CC1 ZINC000193719894 387801186 /nfs/dbraw/zinc/80/11/86/387801186.db2.gz BPGSHFYZZCKBFK-UHFFFAOYSA-N 2 2 239.363 0.635 20 0 BCADLP CC(C)COC[C@H](O)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422970848 387821301 /nfs/dbraw/zinc/82/13/01/387821301.db2.gz HDOKWFGDBYXLRN-YNEHKIRRSA-N 2 2 244.379 0.608 20 0 BCADLP Cn1cc(C[NH2+]CCC[NH+]2CCCCC2)nn1 ZINC000054858837 387829377 /nfs/dbraw/zinc/82/93/77/387829377.db2.gz DZABZXMYOJYUFQ-UHFFFAOYSA-N 2 2 237.351 0.781 20 0 BCADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nnc(C2CC2)n1C ZINC000442760397 387835019 /nfs/dbraw/zinc/83/50/19/387835019.db2.gz NJJGDBCWJGDMBP-VHSXEESVSA-N 2 2 249.362 0.862 20 0 BCADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nnc(C2CC2)n1C ZINC000442760397 387835022 /nfs/dbraw/zinc/83/50/22/387835022.db2.gz NJJGDBCWJGDMBP-VHSXEESVSA-N 2 2 249.362 0.862 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000423016465 387840535 /nfs/dbraw/zinc/84/05/35/387840535.db2.gz SZJLQRUXHJAYMR-HRDYMLBCSA-N 2 2 240.269 0.887 20 0 BCADLP Cc1cnc(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)nc1 ZINC000423017342 387841821 /nfs/dbraw/zinc/84/18/21/387841821.db2.gz WBVLNCKFXNFQFO-RYUDHWBXSA-N 2 2 234.347 0.915 20 0 BCADLP Cc1cnc(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)nc1 ZINC000423017343 387842140 /nfs/dbraw/zinc/84/21/40/387842140.db2.gz WBVLNCKFXNFQFO-VXGBXAGGSA-N 2 2 234.347 0.915 20 0 BCADLP OC[C@H](CC1CCCC1)[NH2+][C@H]1CC[NH2+]C1 ZINC000423033734 387848530 /nfs/dbraw/zinc/84/85/30/387848530.db2.gz ZVCBVUBUCTUYIW-RYUDHWBXSA-N 2 2 212.337 0.879 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC000423041754 387855568 /nfs/dbraw/zinc/85/55/68/387855568.db2.gz JRCFOVQOTVPMHN-GXSJLCMTSA-N 2 2 225.336 0.100 20 0 BCADLP CC[C@H]([NH2+]CC(=O)N(C)CC)[C@@H]1CCC[NH2+]1 ZINC000423052638 387859643 /nfs/dbraw/zinc/85/96/43/387859643.db2.gz QFSCUNIOWONQQH-QWRGUYRKSA-N 2 2 227.352 0.585 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534897 387861812 /nfs/dbraw/zinc/86/18/12/387861812.db2.gz FJWGISXWDRJDHL-UTUOFQBUSA-N 3 2 223.364 0.668 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534897 387861814 /nfs/dbraw/zinc/86/18/14/387861814.db2.gz FJWGISXWDRJDHL-UTUOFQBUSA-N 3 2 223.364 0.668 20 0 BCADLP C/C=C/C[C@H](CO)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423053595 387863521 /nfs/dbraw/zinc/86/35/21/387863521.db2.gz RZYTUVCIQYZSSP-ZUEAMBOYSA-N 2 2 242.363 0.670 20 0 BCADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H]2[NH3+])CCC1 ZINC000423057672 387865668 /nfs/dbraw/zinc/86/56/68/387865668.db2.gz HVQDPAMVTMEUKK-MNOVXSKESA-N 3 2 211.353 0.940 20 0 BCADLP CO[C@H](C)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423063685 387867041 /nfs/dbraw/zinc/86/70/41/387867041.db2.gz XEZWZOAZKQXGMH-YUSALJHKSA-N 2 2 228.336 0.378 20 0 BCADLP CO[C@H](C)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423063683 387867727 /nfs/dbraw/zinc/86/77/27/387867727.db2.gz XEZWZOAZKQXGMH-JLLWLGSASA-N 2 2 228.336 0.378 20 0 BCADLP CNC(=O)c1ccc(C[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC000442654979 387814764 /nfs/dbraw/zinc/81/47/64/387814764.db2.gz BWPFHXFAQROSCO-JTQLQIEISA-N 2 2 235.331 0.825 20 0 BCADLP CNC(=O)c1ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC000442654979 387814768 /nfs/dbraw/zinc/81/47/68/387814768.db2.gz BWPFHXFAQROSCO-JTQLQIEISA-N 2 2 235.331 0.825 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ncn(C)n1 ZINC000392121643 387815390 /nfs/dbraw/zinc/81/53/90/387815390.db2.gz TWXYKECUKLRVPO-VIFPVBQESA-N 2 2 234.307 0.671 20 0 BCADLP O=C1C[C@H]([NH2+][C@H]2CC[NH2+]C2)[C@H]2CCCCN12 ZINC000423116796 387898378 /nfs/dbraw/zinc/89/83/78/387898378.db2.gz ROWXUVVSIOMYNQ-GARJFASQSA-N 2 2 223.320 0.091 20 0 BCADLP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538323 387878052 /nfs/dbraw/zinc/87/80/52/387878052.db2.gz GWFKRSVDNAXBAV-RCWTZXSCSA-N 3 2 215.316 0.403 20 0 BCADLP COC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000423089368 387881141 /nfs/dbraw/zinc/88/11/41/387881141.db2.gz UYSFTHRGUUZOJY-MROQNXINSA-N 2 2 242.363 0.911 20 0 BCADLP C[C@@](CO)(C[NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000423099443 387886566 /nfs/dbraw/zinc/88/65/66/387886566.db2.gz ALBVXBOKEIWRCN-KGLIPLIRSA-N 2 2 234.343 0.888 20 0 BCADLP C[C@@H](C(=O)NC[C@H]1CC[NH2+]CC1(F)F)[C@H](C)[NH3+] ZINC000424187986 387907775 /nfs/dbraw/zinc/90/77/75/387907775.db2.gz JCOMMLSKTUBGAM-HRDYMLBCSA-N 2 2 249.305 0.331 20 0 BCADLP CC[C@H]([NH2+][C@@H](C)C(=O)NC)[C@H]1CCCC[NH2+]1 ZINC000423133651 387912453 /nfs/dbraw/zinc/91/24/53/387912453.db2.gz QWJCFTFTFCQPLJ-GARJFASQSA-N 2 2 227.352 0.631 20 0 BCADLP CC[C@@H]([NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)C(=O)NC ZINC000423157133 387936468 /nfs/dbraw/zinc/93/64/68/387936468.db2.gz AJXFHMHFTJNCIF-MXWKQRLJSA-N 2 2 227.352 0.631 20 0 BCADLP CC[C@H]([NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)C(=O)NC ZINC000423157130 387936884 /nfs/dbraw/zinc/93/68/84/387936884.db2.gz AJXFHMHFTJNCIF-GARJFASQSA-N 2 2 227.352 0.631 20 0 BCADLP CC[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)OC ZINC000423144597 387919924 /nfs/dbraw/zinc/91/99/24/387919924.db2.gz ZCRGVZHWLLRDTJ-JHJVBQTASA-N 2 2 242.363 0.768 20 0 BCADLP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000423144165 387921117 /nfs/dbraw/zinc/92/11/17/387921117.db2.gz GFFBCMLRKMNGDE-OLZOCXBDSA-N 3 2 243.395 0.550 20 0 BCADLP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000423144165 387921120 /nfs/dbraw/zinc/92/11/20/387921120.db2.gz GFFBCMLRKMNGDE-OLZOCXBDSA-N 3 2 243.395 0.550 20 0 BCADLP CC[C@@H]([NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1)C(=O)NC ZINC000423159621 387940694 /nfs/dbraw/zinc/94/06/94/387940694.db2.gz GANAITWQAJVPKB-AXFHLTTASA-N 2 2 227.352 0.631 20 0 BCADLP c1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)n[nH]1 ZINC000309621244 387942513 /nfs/dbraw/zinc/94/25/13/387942513.db2.gz PCRZMVZEFKAJHZ-VIFPVBQESA-N 2 2 217.276 0.711 20 0 BCADLP Cc1occc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000321197017 387958248 /nfs/dbraw/zinc/95/82/48/387958248.db2.gz GVBMFDIWCHKYEW-LBPRGKRZSA-N 2 2 226.320 0.990 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H]1C1CC1)C1CC1 ZINC000453015296 387961599 /nfs/dbraw/zinc/96/15/99/387961599.db2.gz LPWZVKHBKLRAFH-OLZOCXBDSA-N 2 2 224.348 0.926 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H]1C1CC1)C1CC1 ZINC000453015296 387961602 /nfs/dbraw/zinc/96/16/02/387961602.db2.gz LPWZVKHBKLRAFH-OLZOCXBDSA-N 2 2 224.348 0.926 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H]1C1CC1)C1CC1 ZINC000453015296 387961605 /nfs/dbraw/zinc/96/16/05/387961605.db2.gz LPWZVKHBKLRAFH-OLZOCXBDSA-N 2 2 224.348 0.926 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H]1C1CC1)C1CC1 ZINC000453015296 387961609 /nfs/dbraw/zinc/96/16/09/387961609.db2.gz LPWZVKHBKLRAFH-OLZOCXBDSA-N 2 2 224.348 0.926 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000424330390 387974689 /nfs/dbraw/zinc/97/46/89/387974689.db2.gz HTOAPASTLJTOKV-VHSXEESVSA-N 2 2 209.297 0.262 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000424330390 387974695 /nfs/dbraw/zinc/97/46/95/387974695.db2.gz HTOAPASTLJTOKV-VHSXEESVSA-N 2 2 209.297 0.262 20 0 BCADLP CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424367508 387992931 /nfs/dbraw/zinc/99/29/31/387992931.db2.gz MKBUPARVWNXPLY-GMTAPVOTSA-N 2 2 248.392 0.669 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423215325 387997438 /nfs/dbraw/zinc/99/74/38/387997438.db2.gz QJWMBNUWWYDFLR-GRYCIOLGSA-N 3 2 211.353 0.716 20 0 BCADLP C[C@H]1C[C@H]1C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424383878 388001139 /nfs/dbraw/zinc/00/11/39/388001139.db2.gz UQUZBIZDGDTXSA-XRRVDJEJSA-N 2 2 234.347 0.803 20 0 BCADLP C[C@H]1C[C@H]1C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424383878 388001144 /nfs/dbraw/zinc/00/11/44/388001144.db2.gz UQUZBIZDGDTXSA-XRRVDJEJSA-N 2 2 234.347 0.803 20 0 BCADLP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[NH2+]C1)CO2 ZINC000423212497 387996062 /nfs/dbraw/zinc/99/60/62/387996062.db2.gz JPKHGPMSTYXHEA-NEPJUHHUSA-N 2 2 248.326 0.950 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423215327 387996578 /nfs/dbraw/zinc/99/65/78/387996578.db2.gz QJWMBNUWWYDFLR-QJPTWQEYSA-N 3 2 211.353 0.716 20 0 BCADLP CC[C@H]([NH2+]CC[N@H+](C)CCOC)[C@H]1CCOC1 ZINC000159400869 388011981 /nfs/dbraw/zinc/01/19/81/388011981.db2.gz PCABHIGOANBRCI-STQMWFEESA-N 2 2 244.379 0.969 20 0 BCADLP CC[C@H]([NH2+]CC[N@@H+](C)CCOC)[C@H]1CCOC1 ZINC000159400869 388011984 /nfs/dbraw/zinc/01/19/84/388011984.db2.gz PCABHIGOANBRCI-STQMWFEESA-N 2 2 244.379 0.969 20 0 BCADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423230017 388015191 /nfs/dbraw/zinc/01/51/91/388015191.db2.gz CNPRRNLUVMKDRB-TUAOUCFPSA-N 3 2 211.353 0.846 20 0 BCADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423232280 388016786 /nfs/dbraw/zinc/01/67/86/388016786.db2.gz IBIWTWUUVBEEBD-IJLUTSLNSA-N 3 2 211.353 0.716 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1 ZINC000423251378 388032747 /nfs/dbraw/zinc/03/27/47/388032747.db2.gz RXUDNNPWQSJFCE-YNEHKIRRSA-N 3 2 225.380 0.916 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1 ZINC000423251378 388032751 /nfs/dbraw/zinc/03/27/51/388032751.db2.gz RXUDNNPWQSJFCE-YNEHKIRRSA-N 3 2 225.380 0.916 20 0 BCADLP CN(C)C(=O)C(C)(C)[NH2+]Cc1c[nH+]cn1C ZINC000108422203 388033532 /nfs/dbraw/zinc/03/35/32/388033532.db2.gz YLRTZLOSRORIQK-UHFFFAOYSA-N 2 2 224.308 0.377 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254772 388037192 /nfs/dbraw/zinc/03/71/92/388037192.db2.gz ZJBAUUPREIVOLS-UTUOFQBUSA-N 3 2 211.353 0.526 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254772 388037197 /nfs/dbraw/zinc/03/71/97/388037197.db2.gz ZJBAUUPREIVOLS-UTUOFQBUSA-N 3 2 211.353 0.526 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246304313 388030161 /nfs/dbraw/zinc/03/01/61/388030161.db2.gz JIHUBZGMNZPTHX-MNOVXSKESA-N 2 2 227.352 0.347 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246304313 388030164 /nfs/dbraw/zinc/03/01/64/388030164.db2.gz JIHUBZGMNZPTHX-MNOVXSKESA-N 2 2 227.352 0.347 20 0 BCADLP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423274570 388054667 /nfs/dbraw/zinc/05/46/67/388054667.db2.gz MBOQGGIPACBTMR-SDDRHHMPSA-N 3 2 213.369 0.962 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000453401849 388073093 /nfs/dbraw/zinc/07/30/93/388073093.db2.gz FJMDKTUJPGZCOH-OJAKKHQRSA-N 2 2 224.348 0.972 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000453401849 388073096 /nfs/dbraw/zinc/07/30/96/388073096.db2.gz FJMDKTUJPGZCOH-OJAKKHQRSA-N 2 2 224.348 0.972 20 0 BCADLP CN(C)c1nc(NCc2[nH+]ccn2C)cc[nH+]1 ZINC000085431772 388088230 /nfs/dbraw/zinc/08/82/30/388088230.db2.gz RJBQTRVELMZUIE-UHFFFAOYSA-N 2 2 232.291 0.888 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000449247065 388159995 /nfs/dbraw/zinc/15/99/95/388159995.db2.gz DUVIKHBHBXSOMW-SDDRHHMPSA-N 2 2 230.352 0.456 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000449247065 388159996 /nfs/dbraw/zinc/15/99/96/388159996.db2.gz DUVIKHBHBXSOMW-SDDRHHMPSA-N 2 2 230.352 0.456 20 0 BCADLP CN(CCCn1cc[nH+]c1)C(=O)CCC[NH3+] ZINC000646253114 388170114 /nfs/dbraw/zinc/17/01/14/388170114.db2.gz SQLFBOFKQIEYND-UHFFFAOYSA-N 2 2 224.308 0.471 20 0 BCADLP C[C@@H]1CC[C@@H](C[N@@H+]2CCO[C@H](C[NH3+])C2)O1 ZINC000165601424 388252724 /nfs/dbraw/zinc/25/27/24/388252724.db2.gz UDSAEVBOUQQJPH-OUAUKWLOSA-N 2 2 214.309 0.213 20 0 BCADLP C[C@@H]1CC[C@@H](C[N@H+]2CCO[C@H](C[NH3+])C2)O1 ZINC000165601424 388252726 /nfs/dbraw/zinc/25/27/26/388252726.db2.gz UDSAEVBOUQQJPH-OUAUKWLOSA-N 2 2 214.309 0.213 20 0 BCADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCSC1 ZINC000449388030 388190419 /nfs/dbraw/zinc/19/04/19/388190419.db2.gz NTWSGXJQVGYUGX-NEPJUHHUSA-N 2 2 244.404 0.928 20 0 BCADLP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCSC1 ZINC000449388030 388190420 /nfs/dbraw/zinc/19/04/20/388190420.db2.gz NTWSGXJQVGYUGX-NEPJUHHUSA-N 2 2 244.404 0.928 20 0 BCADLP COC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449389184 388191951 /nfs/dbraw/zinc/19/19/51/388191951.db2.gz RPOPHVNFOFBDQG-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP COC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449389184 388191953 /nfs/dbraw/zinc/19/19/53/388191953.db2.gz RPOPHVNFOFBDQG-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1cc[nH]c1 ZINC000449396082 388193511 /nfs/dbraw/zinc/19/35/11/388193511.db2.gz RHTUBCJALVGEFW-CYBMUJFWSA-N 2 2 237.347 0.951 20 0 BCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1cc[nH]c1 ZINC000449396082 388193513 /nfs/dbraw/zinc/19/35/13/388193513.db2.gz RHTUBCJALVGEFW-CYBMUJFWSA-N 2 2 237.347 0.951 20 0 BCADLP CC[C@@H](COC)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449397306 388194269 /nfs/dbraw/zinc/19/42/69/388194269.db2.gz PCKYEUGBOIFJCB-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP CC[C@@H](COC)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449397306 388194271 /nfs/dbraw/zinc/19/42/71/388194271.db2.gz PCKYEUGBOIFJCB-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP C[C@H](CCCO)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000449408313 388197235 /nfs/dbraw/zinc/19/72/35/388197235.db2.gz NKALJLWBXNVWFO-UTUOFQBUSA-N 2 2 214.353 0.935 20 0 BCADLP C[C@H](CCCO)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000449408313 388197236 /nfs/dbraw/zinc/19/72/36/388197236.db2.gz NKALJLWBXNVWFO-UTUOFQBUSA-N 2 2 214.353 0.935 20 0 BCADLP CO[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)C[C@H]1O ZINC000451753640 388293662 /nfs/dbraw/zinc/29/36/62/388293662.db2.gz ASZHSOLKKXLMTF-CHWSQXEVSA-N 2 2 242.363 0.554 20 0 BCADLP CO[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)C[C@H]1O ZINC000451753640 388293663 /nfs/dbraw/zinc/29/36/63/388293663.db2.gz ASZHSOLKKXLMTF-CHWSQXEVSA-N 2 2 242.363 0.554 20 0 BCADLP C[N@H+](CCCCO)CCCn1cc[nH+]c1 ZINC000276467047 388349882 /nfs/dbraw/zinc/34/98/82/388349882.db2.gz YCHQSYLKIXCTDG-UHFFFAOYSA-N 2 2 211.309 0.978 20 0 BCADLP C[N@@H+](CCCCO)CCCn1cc[nH+]c1 ZINC000276467047 388349883 /nfs/dbraw/zinc/34/98/83/388349883.db2.gz YCHQSYLKIXCTDG-UHFFFAOYSA-N 2 2 211.309 0.978 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307960461 388357075 /nfs/dbraw/zinc/35/70/75/388357075.db2.gz WEQRJBBRPQPDBE-BDAKNGLRSA-N 2 2 240.269 0.984 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307960461 388357077 /nfs/dbraw/zinc/35/70/77/388357077.db2.gz WEQRJBBRPQPDBE-BDAKNGLRSA-N 2 2 240.269 0.984 20 0 BCADLP C[C@H](CC(=O)NCC[C@H](C)[NH3+])n1cc[nH+]c1 ZINC000572612128 388361090 /nfs/dbraw/zinc/36/10/90/388361090.db2.gz QEWVJZZWMSFHQU-VHSXEESVSA-N 2 2 224.308 0.688 20 0 BCADLP CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1c[nH+]cn1C ZINC000236888042 388386059 /nfs/dbraw/zinc/38/60/59/388386059.db2.gz ZGHMSDGLOJJFNM-ZJUUUORDSA-N 2 2 238.335 0.813 20 0 BCADLP C[NH+](C)CC(C)(C)[NH2+]CCn1cc[nH+]c1 ZINC000308633929 388446452 /nfs/dbraw/zinc/44/64/52/388446452.db2.gz XGTXXESFUCCIHR-UHFFFAOYSA-N 3 2 210.325 0.813 20 0 BCADLP CC(C)[C@H](CO)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000394098117 388450774 /nfs/dbraw/zinc/45/07/74/388450774.db2.gz SARJPVALYLRHLH-FRRDWIJNSA-N 2 2 244.379 0.608 20 0 BCADLP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000336268325 388456210 /nfs/dbraw/zinc/45/62/10/388456210.db2.gz UUDYIBVLHHKFPR-NWDGAFQWSA-N 3 2 211.353 0.657 20 0 BCADLP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000336268325 388456212 /nfs/dbraw/zinc/45/62/12/388456212.db2.gz UUDYIBVLHHKFPR-NWDGAFQWSA-N 3 2 211.353 0.657 20 0 BCADLP CC(C)C[C@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000336692165 388463901 /nfs/dbraw/zinc/46/39/01/388463901.db2.gz PZTWDELGGVTEJK-WDEREUQCSA-N 2 2 200.326 0.999 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@]2(OC)CCOC2)C1 ZINC000328358272 388412245 /nfs/dbraw/zinc/41/22/45/388412245.db2.gz PIXPVQUEJARIJO-CHWSQXEVSA-N 2 2 242.363 0.866 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@]2(OC)CCOC2)C1 ZINC000328358272 388412248 /nfs/dbraw/zinc/41/22/48/388412248.db2.gz PIXPVQUEJARIJO-CHWSQXEVSA-N 2 2 242.363 0.866 20 0 BCADLP CC[C@@H]([NH2+]CCc1nc(C)n[nH]1)[C@@H]1CCC[NH2+]1 ZINC000573082336 388418985 /nfs/dbraw/zinc/41/89/85/388418985.db2.gz RJIHPGKHYZVQEC-MNOVXSKESA-N 2 2 237.351 0.776 20 0 BCADLP CC[C@@H]([NH2+]CCc1n[nH]c(C)n1)[C@@H]1CCC[NH2+]1 ZINC000573082336 388418986 /nfs/dbraw/zinc/41/89/86/388418986.db2.gz RJIHPGKHYZVQEC-MNOVXSKESA-N 2 2 237.351 0.776 20 0 BCADLP CC[C@@H]([NH2+]CCc1nnc(C)[nH]1)[C@@H]1CCC[NH2+]1 ZINC000573082336 388418988 /nfs/dbraw/zinc/41/89/88/388418988.db2.gz RJIHPGKHYZVQEC-MNOVXSKESA-N 2 2 237.351 0.776 20 0 BCADLP C[C@@H](CC(=O)NCc1[nH+]ccn1C)n1cc[nH+]c1 ZINC000573095654 388419708 /nfs/dbraw/zinc/41/97/08/388419708.db2.gz FRQNMZWGHBSLHU-JTQLQIEISA-N 2 2 247.302 0.884 20 0 BCADLP CN(CCC[NH3+])C(=O)Cc1cn2ccccc2[nH+]1 ZINC000649273138 388483800 /nfs/dbraw/zinc/48/38/00/388483800.db2.gz NFBFGOIKILPQAH-UHFFFAOYSA-N 2 2 246.314 0.684 20 0 BCADLP C[C@H]1CCC[N@@H+](CCOCC[NH3+])[C@@H]1C[NH3+] ZINC000261555500 135195050 /nfs/dbraw/zinc/19/50/50/135195050.db2.gz VBYBWGADLDPPID-WDEREUQCSA-N 3 2 215.341 0.021 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000342716610 388498688 /nfs/dbraw/zinc/49/86/88/388498688.db2.gz DCMFTBLLXHYIPJ-VHSXEESVSA-N 2 2 236.319 0.457 20 0 BCADLP C[C@@H](CC[NH3+])NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000516977487 388529667 /nfs/dbraw/zinc/52/96/67/388529667.db2.gz FENRCYHZJLWCAT-UWVGGRQHSA-N 2 2 224.308 0.688 20 0 BCADLP C[C@@H](C[NH3+])C(=O)N(C)CCCn1cc[nH+]c1 ZINC000517028468 388533295 /nfs/dbraw/zinc/53/32/95/388533295.db2.gz GEPRIRKNGCBDOO-JTQLQIEISA-N 2 2 224.308 0.326 20 0 BCADLP C[C@@H](C[NH3+])C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000649306493 388591287 /nfs/dbraw/zinc/59/12/87/388591287.db2.gz VDLDEPMVTZGOOX-NSHDSACASA-N 2 2 247.342 0.713 20 0 BCADLP COc1cc[nH+]cc1NC(=O)COCC[NH3+] ZINC000649312045 388598752 /nfs/dbraw/zinc/59/87/52/388598752.db2.gz HQPCIWUXOFOCMO-UHFFFAOYSA-N 2 2 225.248 0.004 20 0 BCADLP C[N@@H+](C[C@H]1CCC[NH2+]C1)CC(C)(C)C[NH3+] ZINC000261561219 135202193 /nfs/dbraw/zinc/20/21/93/135202193.db2.gz AMMHEQJMTHZQFF-NSHDSACASA-N 3 2 213.369 0.903 20 0 BCADLP Cc1cnc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000359276275 388556344 /nfs/dbraw/zinc/55/63/44/388556344.db2.gz DCFJZTDPNGPKJR-GHMZBOCLSA-N 2 2 218.304 0.436 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC(F)F)CC[N@@H+]1C ZINC000360922054 388560074 /nfs/dbraw/zinc/56/00/74/388560074.db2.gz YSAXHLPHMYABFY-BDAKNGLRSA-N 2 2 249.305 0.440 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC(F)F)CC[N@H+]1C ZINC000360922054 388560077 /nfs/dbraw/zinc/56/00/77/388560077.db2.gz YSAXHLPHMYABFY-BDAKNGLRSA-N 2 2 249.305 0.440 20 0 BCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000521043679 388561468 /nfs/dbraw/zinc/56/14/68/388561468.db2.gz HINKAIXLXWSPGZ-UWVGGRQHSA-N 2 2 234.365 0.151 20 0 BCADLP CC[C@]1(C)C[C@@H]1C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000646833243 388562877 /nfs/dbraw/zinc/56/28/77/388562877.db2.gz WSQZJFJZFNTRPZ-NQBHXWOUSA-N 2 2 239.363 0.524 20 0 BCADLP CC[C@]1(C)C[C@@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000646833243 388562879 /nfs/dbraw/zinc/56/28/79/388562879.db2.gz WSQZJFJZFNTRPZ-NQBHXWOUSA-N 2 2 239.363 0.524 20 0 BCADLP O=C([C@@H]1CCCCC[NH2+]1)N1CCn2cc[nH+]c2C1 ZINC000081001118 388566055 /nfs/dbraw/zinc/56/60/55/388566055.db2.gz VFFJVOWHBYEQLV-NSHDSACASA-N 2 2 248.330 0.758 20 0 BCADLP Cn1ccnc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000581100313 388571680 /nfs/dbraw/zinc/57/16/80/388571680.db2.gz LNXWQGJMDUNBDW-SECBINFHSA-N 2 2 231.303 0.790 20 0 BCADLP Cn1ccnc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000581100313 388571683 /nfs/dbraw/zinc/57/16/83/388571683.db2.gz LNXWQGJMDUNBDW-SECBINFHSA-N 2 2 231.303 0.790 20 0 BCADLP CCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000125771539 388676935 /nfs/dbraw/zinc/67/69/35/388676935.db2.gz FYQLVRDUWZWKLQ-NWDGAFQWSA-N 2 2 241.379 0.785 20 0 BCADLP CCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000125771539 388676936 /nfs/dbraw/zinc/67/69/36/388676936.db2.gz FYQLVRDUWZWKLQ-NWDGAFQWSA-N 2 2 241.379 0.785 20 0 BCADLP CCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000125771539 388676938 /nfs/dbraw/zinc/67/69/38/388676938.db2.gz FYQLVRDUWZWKLQ-NWDGAFQWSA-N 2 2 241.379 0.785 20 0 BCADLP CCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000125771539 388676940 /nfs/dbraw/zinc/67/69/40/388676940.db2.gz FYQLVRDUWZWKLQ-NWDGAFQWSA-N 2 2 241.379 0.785 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC(C)(COC)C1 ZINC000521643404 388622068 /nfs/dbraw/zinc/62/20/68/388622068.db2.gz DWYBVSUBDFWAEH-LLVKDONJSA-N 2 2 230.352 0.267 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)(COC)C1 ZINC000521643404 388622072 /nfs/dbraw/zinc/62/20/72/388622072.db2.gz DWYBVSUBDFWAEH-LLVKDONJSA-N 2 2 230.352 0.267 20 0 BCADLP C[C@H](NC[C@H]1COCC[NH2+]1)c1[nH+]ccn1C ZINC000530220058 388632300 /nfs/dbraw/zinc/63/23/00/388632300.db2.gz IFGMSRYASGAYSN-UWVGGRQHSA-N 2 2 224.308 0.059 20 0 BCADLP CCNC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000246471706 388638041 /nfs/dbraw/zinc/63/80/41/388638041.db2.gz FYQLVRDUWZWKLQ-NEPJUHHUSA-N 2 2 241.379 0.785 20 0 BCADLP CCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000246471706 388638042 /nfs/dbraw/zinc/63/80/42/388638042.db2.gz FYQLVRDUWZWKLQ-NEPJUHHUSA-N 2 2 241.379 0.785 20 0 BCADLP CCNC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000246471706 388638045 /nfs/dbraw/zinc/63/80/45/388638045.db2.gz FYQLVRDUWZWKLQ-NEPJUHHUSA-N 2 2 241.379 0.785 20 0 BCADLP CCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000246471706 388638047 /nfs/dbraw/zinc/63/80/47/388638047.db2.gz FYQLVRDUWZWKLQ-NEPJUHHUSA-N 2 2 241.379 0.785 20 0 BCADLP NC(=O)CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000530237759 388638312 /nfs/dbraw/zinc/63/83/12/388638312.db2.gz YUYWVPZYPVYPRC-LBPRGKRZSA-N 2 2 239.363 0.858 20 0 BCADLP NC(=O)CC[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000530237759 388638314 /nfs/dbraw/zinc/63/83/14/388638314.db2.gz YUYWVPZYPVYPRC-LBPRGKRZSA-N 2 2 239.363 0.858 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCNC2=O)CC[N@@H+]1C ZINC000246859955 388653971 /nfs/dbraw/zinc/65/39/71/388653971.db2.gz CZDIGMIIPNNGNR-UTUOFQBUSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCNC2=O)CC[N@H+]1C ZINC000246859955 388653973 /nfs/dbraw/zinc/65/39/73/388653973.db2.gz CZDIGMIIPNNGNR-UTUOFQBUSA-N 2 2 239.363 0.727 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](CC[C@H]2CCCO2)CCO1 ZINC000251534574 388749695 /nfs/dbraw/zinc/74/96/95/388749695.db2.gz XUGKMFGTZNSQHX-MNOVXSKESA-N 2 2 214.309 0.215 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](CC[C@H]2CCCO2)CCO1 ZINC000251534574 388749696 /nfs/dbraw/zinc/74/96/96/388749696.db2.gz XUGKMFGTZNSQHX-MNOVXSKESA-N 2 2 214.309 0.215 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000248976587 388702109 /nfs/dbraw/zinc/70/21/09/388702109.db2.gz HUIUCPWREKSWMV-NEPJUHHUSA-N 2 2 230.352 0.315 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000248976587 388702113 /nfs/dbraw/zinc/70/21/13/388702113.db2.gz HUIUCPWREKSWMV-NEPJUHHUSA-N 2 2 230.352 0.315 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H]1CCO[C@H]1C ZINC000249038313 388704856 /nfs/dbraw/zinc/70/48/56/388704856.db2.gz UPXKUAIRONHBKQ-QWRGUYRKSA-N 2 2 216.325 0.068 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CCO[C@H]1C ZINC000249038313 388704857 /nfs/dbraw/zinc/70/48/57/388704857.db2.gz UPXKUAIRONHBKQ-QWRGUYRKSA-N 2 2 216.325 0.068 20 0 BCADLP CC(=O)NCC1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000226306945 388715266 /nfs/dbraw/zinc/71/52/66/388715266.db2.gz XNQILQKMLMQUEL-SECBINFHSA-N 2 2 213.325 0.182 20 0 BCADLP C[C@H](C[NH+](C)C)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000229642971 388798871 /nfs/dbraw/zinc/79/88/71/388798871.db2.gz SLUJQTUAWCSIST-GMTAPVOTSA-N 2 2 200.326 0.951 20 0 BCADLP COC[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@@H](C)O1 ZINC000252012479 388760779 /nfs/dbraw/zinc/76/07/79/388760779.db2.gz XUBLANXCDVFTIR-NEPJUHHUSA-N 2 2 239.319 0.619 20 0 BCADLP COC[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@@H](C)O1 ZINC000252012479 388760780 /nfs/dbraw/zinc/76/07/80/388760780.db2.gz XUBLANXCDVFTIR-NEPJUHHUSA-N 2 2 239.319 0.619 20 0 BCADLP C[N@@H+]1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)[C@H](C[NH3+])C1 ZINC000250401180 388791023 /nfs/dbraw/zinc/79/10/23/388791023.db2.gz SRNWAHJSXSGOEL-WYUUTHIRSA-N 2 2 237.347 0.134 20 0 BCADLP C[N@H+]1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)[C@H](C[NH3+])C1 ZINC000250401180 388791025 /nfs/dbraw/zinc/79/10/25/388791025.db2.gz SRNWAHJSXSGOEL-WYUUTHIRSA-N 2 2 237.347 0.134 20 0 BCADLP C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C[N@@H+]1C1CC1 ZINC000555228185 388843522 /nfs/dbraw/zinc/84/35/22/388843522.db2.gz UYGDGDXKFIIGHQ-QWRGUYRKSA-N 2 2 248.330 0.625 20 0 BCADLP C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C[N@H+]1C1CC1 ZINC000555228185 388843524 /nfs/dbraw/zinc/84/35/24/388843524.db2.gz UYGDGDXKFIIGHQ-QWRGUYRKSA-N 2 2 248.330 0.625 20 0 BCADLP CC[C@H](CO)[N@H+](C)CCCn1cc[nH+]c1 ZINC000293613309 388843913 /nfs/dbraw/zinc/84/39/13/388843913.db2.gz CVECDJDXTUGQRO-LLVKDONJSA-N 2 2 211.309 0.976 20 0 BCADLP CC[C@H](CO)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000293613309 388843916 /nfs/dbraw/zinc/84/39/16/388843916.db2.gz CVECDJDXTUGQRO-LLVKDONJSA-N 2 2 211.309 0.976 20 0 BCADLP Cc1cc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc[nH+]1 ZINC000333112506 177702250 /nfs/dbraw/zinc/70/22/50/177702250.db2.gz FHNAVGOSQWXTFL-PHIMTYICSA-N 2 2 246.314 0.495 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000555222008 388842423 /nfs/dbraw/zinc/84/24/23/388842423.db2.gz CWDXOXVGTIBKGF-SNVBAGLBSA-N 2 2 222.292 0.094 20 0 BCADLP C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000555222008 388842429 /nfs/dbraw/zinc/84/24/29/388842429.db2.gz CWDXOXVGTIBKGF-SNVBAGLBSA-N 2 2 222.292 0.094 20 0 BCADLP CC[NH+](CC)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000193325768 388851771 /nfs/dbraw/zinc/85/17/71/388851771.db2.gz AATVXYUEHTYWNM-GFCCVEGCSA-N 2 2 241.379 0.881 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)CC[N@@H+]1C ZINC000129661676 388862904 /nfs/dbraw/zinc/86/29/04/388862904.db2.gz OYTGZFIXSMDBGO-VXGBXAGGSA-N 3 2 222.336 0.955 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)CC[N@H+]1C ZINC000129661676 388862907 /nfs/dbraw/zinc/86/29/07/388862907.db2.gz OYTGZFIXSMDBGO-VXGBXAGGSA-N 3 2 222.336 0.955 20 0 BCADLP Cn1nncc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000129756541 388869325 /nfs/dbraw/zinc/86/93/25/388869325.db2.gz UFLIBKGKPNQUHB-JTQLQIEISA-N 2 2 223.324 0.247 20 0 BCADLP Cn1nncc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000129756541 388869326 /nfs/dbraw/zinc/86/93/26/388869326.db2.gz UFLIBKGKPNQUHB-JTQLQIEISA-N 2 2 223.324 0.247 20 0 BCADLP NC(=O)C1([NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000555429094 388850394 /nfs/dbraw/zinc/85/03/94/388850394.db2.gz RPSAPTKKDOSTDP-UHFFFAOYSA-N 2 2 230.271 0.442 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC000129926067 388875716 /nfs/dbraw/zinc/87/57/16/388875716.db2.gz VGKRFNACINBZBD-MNOVXSKESA-N 2 2 241.379 0.973 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)NC(C)(C)C)CC[N@H+]1C ZINC000129926067 388875717 /nfs/dbraw/zinc/87/57/17/388875717.db2.gz VGKRFNACINBZBD-MNOVXSKESA-N 2 2 241.379 0.973 20 0 BCADLP C[C@H](CC(=O)NC[C@@H]1CCC[NH2+]1)n1cc[nH+]c1 ZINC000565147862 388917651 /nfs/dbraw/zinc/91/76/51/388917651.db2.gz OSLDUPFBOSYSDM-MNOVXSKESA-N 2 2 236.319 0.702 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@@]2(C)CCC(=O)N2)n1C ZINC000565242559 388930760 /nfs/dbraw/zinc/93/07/60/388930760.db2.gz PBTNMWPNTOSYQA-GFCCVEGCSA-N 2 2 236.319 0.487 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCC[C@H]2O)n1C ZINC000565241595 388931520 /nfs/dbraw/zinc/93/15/20/388931520.db2.gz GANGJFJGUCEEDK-CMPLNLGQSA-N 2 2 223.320 0.979 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCCNC2=O)n1C ZINC000565610721 388959000 /nfs/dbraw/zinc/95/90/00/388959000.db2.gz YWISWZORJWJSPK-NSHDSACASA-N 2 2 236.319 0.487 20 0 BCADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]CC1(O)CCC1 ZINC000565716503 388964180 /nfs/dbraw/zinc/96/41/80/388964180.db2.gz HQWWKPJQTXFUAH-LBPRGKRZSA-N 2 2 242.363 0.338 20 0 BCADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]CC1(O)CCC1 ZINC000565716503 388964178 /nfs/dbraw/zinc/96/41/78/388964178.db2.gz HQWWKPJQTXFUAH-LBPRGKRZSA-N 2 2 242.363 0.338 20 0 BCADLP COCC[N@H+](C)CC[NH2+]C[C@@H](C)COC ZINC000153367287 388967121 /nfs/dbraw/zinc/96/71/21/388967121.db2.gz XAWKOMYBTWHPPM-LLVKDONJSA-N 2 2 218.341 0.437 20 0 BCADLP COCC[N@@H+](C)CC[NH2+]C[C@@H](C)COC ZINC000153367287 388967122 /nfs/dbraw/zinc/96/71/22/388967122.db2.gz XAWKOMYBTWHPPM-LLVKDONJSA-N 2 2 218.341 0.437 20 0 BCADLP COCC1([NH2+]Cc2c[nH+]c(C)n2C)CC1 ZINC000565551062 388954191 /nfs/dbraw/zinc/95/41/91/388954191.db2.gz VGUGRJHNWCGQEY-UHFFFAOYSA-N 2 2 209.293 0.997 20 0 BCADLP C[N@H+](CC[NH3+])Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565898460 388977675 /nfs/dbraw/zinc/97/76/75/388977675.db2.gz RKMBNBGGQDUOJP-UHFFFAOYSA-N 3 2 219.332 0.723 20 0 BCADLP C[N@@H+](CC[NH3+])Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565898460 388977679 /nfs/dbraw/zinc/97/76/79/388977679.db2.gz RKMBNBGGQDUOJP-UHFFFAOYSA-N 3 2 219.332 0.723 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@@H](C)CCO)n1C ZINC000566021071 388982638 /nfs/dbraw/zinc/98/26/38/388982638.db2.gz MLCFCIMLAONBEJ-VIFPVBQESA-N 2 2 211.309 0.837 20 0 BCADLP CCC[C@](C)([NH3+])C(=O)NCc1[nH]c[nH+]c1C ZINC000269239220 389008495 /nfs/dbraw/zinc/00/84/95/389008495.db2.gz AOFJTNXSQRCTGZ-NSHDSACASA-N 2 2 224.308 0.852 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000269264414 389008556 /nfs/dbraw/zinc/00/85/56/389008556.db2.gz OJLNWPLXYIIZQZ-UWVGGRQHSA-N 2 2 236.319 0.852 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000269264415 389008669 /nfs/dbraw/zinc/00/86/69/389008669.db2.gz OJLNWPLXYIIZQZ-VHSXEESVSA-N 2 2 236.319 0.852 20 0 BCADLP COC(=O)C(C)(C)[NH2+]CCn1cc[nH+]c1 ZINC000270900523 389014911 /nfs/dbraw/zinc/01/49/11/389014911.db2.gz RAECGUSKNIXERQ-UHFFFAOYSA-N 2 2 211.265 0.424 20 0 BCADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cn[nH]c1 ZINC000275155891 389053070 /nfs/dbraw/zinc/05/30/70/389053070.db2.gz HQBWTIHCUMUXEJ-VIFPVBQESA-N 2 2 205.265 0.957 20 0 BCADLP CC[NH+]1CCC([NH2+]C[C@@H](O)C(F)F)CC1 ZINC000224474151 535473850 /nfs/dbraw/zinc/47/38/50/535473850.db2.gz HXNYMCDPRBHYIC-SECBINFHSA-N 2 2 222.279 0.686 20 0 BCADLP C[C@@H]([NH2+]CCN1CCSCC1)[C@H]1CCC[NH2+]1 ZINC000400330765 533395413 /nfs/dbraw/zinc/39/54/13/533395413.db2.gz BTMWQBFWUIEUOK-VXGBXAGGSA-N 2 2 243.420 0.765 20 0 BCADLP CO[C@@H]1C[NH+](CCCn2cc[nH+]c2)C[C@H]1OC ZINC000488000188 533474343 /nfs/dbraw/zinc/47/43/43/533474343.db2.gz DLRQNYCYVSHSHV-VXGBXAGGSA-N 2 2 239.319 0.619 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1CCn1cc[nH+]c1 ZINC000335975397 134031148 /nfs/dbraw/zinc/03/11/48/134031148.db2.gz XILOPNYZIYBOSK-VXGBXAGGSA-N 2 2 222.336 0.908 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1CCn1cc[nH+]c1 ZINC000335975397 134031149 /nfs/dbraw/zinc/03/11/49/134031149.db2.gz XILOPNYZIYBOSK-VXGBXAGGSA-N 2 2 222.336 0.908 20 0 BCADLP [NH3+]CC1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000336031443 134058311 /nfs/dbraw/zinc/05/83/11/134058311.db2.gz HEODTQBXHFFCSE-VIFPVBQESA-N 2 2 247.289 0.181 20 0 BCADLP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000336031411 134058323 /nfs/dbraw/zinc/05/83/23/134058323.db2.gz BIZLLANXHHHGDO-BDAKNGLRSA-N 2 2 247.289 0.099 20 0 BCADLP C[C@H]1CC[N@H+](C)CCN1Cc1[nH+]ccn1C ZINC000336164635 134112838 /nfs/dbraw/zinc/11/28/38/134112838.db2.gz OOFGUBKKLUGIGT-NSHDSACASA-N 2 2 222.336 0.946 20 0 BCADLP C[C@H]1CC[N@@H+](C)CCN1Cc1[nH+]ccn1C ZINC000336164635 134112839 /nfs/dbraw/zinc/11/28/39/134112839.db2.gz OOFGUBKKLUGIGT-NSHDSACASA-N 2 2 222.336 0.946 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000336173698 134116148 /nfs/dbraw/zinc/11/61/48/134116148.db2.gz IPFXUIBRNKEBRK-GWCFXTLKSA-N 2 2 231.299 0.750 20 0 BCADLP COC[C@H](C)[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000176018101 134290151 /nfs/dbraw/zinc/29/01/51/134290151.db2.gz DWYSWQIIEZHKRI-QWHCGFSZSA-N 2 2 244.379 0.968 20 0 BCADLP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC000178190306 134304511 /nfs/dbraw/zinc/30/45/11/134304511.db2.gz ZKCUGCOLOPRJRB-SKDRFNHKSA-N 2 2 249.314 0.633 20 0 BCADLP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC000178190294 134304602 /nfs/dbraw/zinc/30/46/02/134304602.db2.gz ZKCUGCOLOPRJRB-CABZTGNLSA-N 2 2 249.314 0.633 20 0 BCADLP O=C1NCC[C@H]1[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000178204595 134304834 /nfs/dbraw/zinc/30/48/34/134304834.db2.gz BCACTKXQJMKSFU-NWDGAFQWSA-N 2 2 237.347 0.293 20 0 BCADLP O=C1NCC[C@H]1[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000178204595 134304835 /nfs/dbraw/zinc/30/48/35/134304835.db2.gz BCACTKXQJMKSFU-NWDGAFQWSA-N 2 2 237.347 0.293 20 0 BCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H](C)[NH3+] ZINC000178809784 134315374 /nfs/dbraw/zinc/31/53/74/134315374.db2.gz HMRGWJKIGUFDDK-SECBINFHSA-N 2 2 224.308 0.503 20 0 BCADLP C[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000223585547 134340415 /nfs/dbraw/zinc/34/04/15/134340415.db2.gz ZFKFLMFPSVKJIE-OUAUKWLOSA-N 2 2 212.337 0.972 20 0 BCADLP C[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000223585547 134340416 /nfs/dbraw/zinc/34/04/16/134340416.db2.gz ZFKFLMFPSVKJIE-OUAUKWLOSA-N 2 2 212.337 0.972 20 0 BCADLP Cc1c(C[NH2+][C@@H]2CCC[NH2+]C2)cnn1C ZINC000226309543 134360346 /nfs/dbraw/zinc/36/03/46/134360346.db2.gz ZXLGUKVQCKDOPA-LLVKDONJSA-N 2 2 208.309 0.570 20 0 BCADLP CNC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000227735442 134386129 /nfs/dbraw/zinc/38/61/29/134386129.db2.gz UIKNGIAIMCOHKR-VIFPVBQESA-N 2 2 201.314 0.038 20 0 BCADLP CNC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000227735442 134386131 /nfs/dbraw/zinc/38/61/31/134386131.db2.gz UIKNGIAIMCOHKR-VIFPVBQESA-N 2 2 201.314 0.038 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](CCCS(C)(=O)=O)C1 ZINC000063015322 134395873 /nfs/dbraw/zinc/39/58/73/134395873.db2.gz TXXGUJVZTIIROC-NSHDSACASA-N 2 2 248.392 0.353 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CCCS(C)(=O)=O)C1 ZINC000063015322 134395874 /nfs/dbraw/zinc/39/58/74/134395874.db2.gz TXXGUJVZTIIROC-NSHDSACASA-N 2 2 248.392 0.353 20 0 BCADLP C[C@H]1C[C@@H](C(=O)NCc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000408113375 134396579 /nfs/dbraw/zinc/39/65/79/134396579.db2.gz VNUGULVNPRNVQK-UWVGGRQHSA-N 2 2 236.319 0.756 20 0 BCADLP C[C@H]1C[C@@H](C(=O)NCc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000408113375 134396581 /nfs/dbraw/zinc/39/65/81/134396581.db2.gz VNUGULVNPRNVQK-UWVGGRQHSA-N 2 2 236.319 0.756 20 0 BCADLP C[C@H](O)C[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000228065500 134401896 /nfs/dbraw/zinc/40/18/96/134401896.db2.gz VRGAWYRNZWVGPS-UWVGGRQHSA-N 2 2 240.351 0.735 20 0 BCADLP CC[C@H](COC)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000070656833 135008064 /nfs/dbraw/zinc/00/80/64/135008064.db2.gz CNDGKVXNCHBXNW-NEPJUHHUSA-N 2 2 229.368 0.247 20 0 BCADLP CC[C@H](COC)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000070656833 135008067 /nfs/dbraw/zinc/00/80/67/135008067.db2.gz CNDGKVXNCHBXNW-NEPJUHHUSA-N 2 2 229.368 0.247 20 0 BCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)O ZINC000248771574 135021644 /nfs/dbraw/zinc/02/16/44/135021644.db2.gz SRYCOTAINGBQTF-TUAOUCFPSA-N 2 2 212.337 0.926 20 0 BCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)O ZINC000248771574 135021645 /nfs/dbraw/zinc/02/16/45/135021645.db2.gz SRYCOTAINGBQTF-TUAOUCFPSA-N 2 2 212.337 0.926 20 0 BCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)O ZINC000248771574 135021646 /nfs/dbraw/zinc/02/16/46/135021646.db2.gz SRYCOTAINGBQTF-TUAOUCFPSA-N 2 2 212.337 0.926 20 0 BCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)O ZINC000248771574 135021647 /nfs/dbraw/zinc/02/16/47/135021647.db2.gz SRYCOTAINGBQTF-TUAOUCFPSA-N 2 2 212.337 0.926 20 0 BCADLP C[C@@H]1C[N@H+](Cc2cncn2C)CC[C@H]1[NH3+] ZINC000251738165 135076766 /nfs/dbraw/zinc/07/67/66/135076766.db2.gz KRZXOXFHGNEYSS-MWLCHTKSSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2cncn2C)CC[C@H]1[NH3+] ZINC000251738165 135076769 /nfs/dbraw/zinc/07/67/69/135076769.db2.gz KRZXOXFHGNEYSS-MWLCHTKSSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@@H]1CN(Cc2c[nH+]cn2C)CC[C@H]1[NH3+] ZINC000251738165 135076771 /nfs/dbraw/zinc/07/67/71/135076771.db2.gz KRZXOXFHGNEYSS-MWLCHTKSSA-N 2 2 208.309 0.589 20 0 BCADLP C[N@H+](CCOCC[NH3+])Cc1cscn1 ZINC000086435574 135084703 /nfs/dbraw/zinc/08/47/03/135084703.db2.gz WDAZOTKVDJZJMA-UHFFFAOYSA-N 2 2 215.322 0.550 20 0 BCADLP C[N@@H+](CCOCC[NH3+])Cc1cscn1 ZINC000086435574 135084705 /nfs/dbraw/zinc/08/47/05/135084705.db2.gz WDAZOTKVDJZJMA-UHFFFAOYSA-N 2 2 215.322 0.550 20 0 BCADLP C[N@H+](CCCS(C)(=O)=O)CC(C)(C)C[NH3+] ZINC000086638092 135091578 /nfs/dbraw/zinc/09/15/78/135091578.db2.gz CKNZZIHXPBGNIG-UHFFFAOYSA-N 2 2 236.381 0.338 20 0 BCADLP C[N@@H+](CCCS(C)(=O)=O)CC(C)(C)C[NH3+] ZINC000086638092 135091579 /nfs/dbraw/zinc/09/15/79/135091579.db2.gz CKNZZIHXPBGNIG-UHFFFAOYSA-N 2 2 236.381 0.338 20 0 BCADLP C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000251801940 135094441 /nfs/dbraw/zinc/09/44/41/135094441.db2.gz GIIVLQQOIGBZLR-GMTAPVOTSA-N 2 2 248.392 0.492 20 0 BCADLP C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000251801940 135094444 /nfs/dbraw/zinc/09/44/44/135094444.db2.gz GIIVLQQOIGBZLR-GMTAPVOTSA-N 2 2 248.392 0.492 20 0 BCADLP CC(C)N(C)C(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886992 135100103 /nfs/dbraw/zinc/10/01/03/135100103.db2.gz TWPCYKZDCVBWOP-MNOVXSKESA-N 2 2 227.352 0.522 20 0 BCADLP CC(C)N(C)C(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886992 135100105 /nfs/dbraw/zinc/10/01/05/135100105.db2.gz TWPCYKZDCVBWOP-MNOVXSKESA-N 2 2 227.352 0.522 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000252713342 135100913 /nfs/dbraw/zinc/10/09/13/135100913.db2.gz OXPGGBKBIKNVMQ-TUAOUCFPSA-N 2 2 229.368 0.245 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000252713342 135100915 /nfs/dbraw/zinc/10/09/15/135100915.db2.gz OXPGGBKBIKNVMQ-TUAOUCFPSA-N 2 2 229.368 0.245 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000086886663 135100991 /nfs/dbraw/zinc/10/09/91/135100991.db2.gz TUVXXETZLKMPMK-QWRGUYRKSA-N 2 2 227.352 0.428 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000086886663 135100994 /nfs/dbraw/zinc/10/09/94/135100994.db2.gz TUVXXETZLKMPMK-QWRGUYRKSA-N 2 2 227.352 0.428 20 0 BCADLP c1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)n[nH]1 ZINC000257664408 135138337 /nfs/dbraw/zinc/13/83/37/135138337.db2.gz GXZDZSUZZWUGCR-NSHDSACASA-N 2 2 206.293 0.595 20 0 BCADLP c1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)n[nH]1 ZINC000257664408 135138339 /nfs/dbraw/zinc/13/83/39/135138339.db2.gz GXZDZSUZZWUGCR-NSHDSACASA-N 2 2 206.293 0.595 20 0 BCADLP c1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)n[nH]1 ZINC000257686910 135138975 /nfs/dbraw/zinc/13/89/75/135138975.db2.gz MNJDNRCQQRVNRO-GFCCVEGCSA-N 2 2 220.320 0.985 20 0 BCADLP c1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)n[nH]1 ZINC000257686910 135138977 /nfs/dbraw/zinc/13/89/77/135138977.db2.gz MNJDNRCQQRVNRO-GFCCVEGCSA-N 2 2 220.320 0.985 20 0 BCADLP Cc1n[nH]cc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000257757876 135141909 /nfs/dbraw/zinc/14/19/09/135141909.db2.gz WZFMSIFMWVXLOB-ZDUSSCGKSA-N 2 2 249.362 0.198 20 0 BCADLP CC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CCC[NH2+]C ZINC000087472641 135142249 /nfs/dbraw/zinc/14/22/49/135142249.db2.gz YUJOOTSFRSZQIJ-WDEREUQCSA-N 2 2 229.368 0.831 20 0 BCADLP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCC[NH2+]C ZINC000087472641 135142251 /nfs/dbraw/zinc/14/22/51/135142251.db2.gz YUJOOTSFRSZQIJ-WDEREUQCSA-N 2 2 229.368 0.831 20 0 BCADLP C[NH2+]CCC[N@H+](C)CC(=O)NC(C)(C)C ZINC000087472738 135142276 /nfs/dbraw/zinc/14/22/76/135142276.db2.gz OHPVMSQQFMFQHF-UHFFFAOYSA-N 2 2 215.341 0.442 20 0 BCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NC(C)(C)C ZINC000087472738 135142278 /nfs/dbraw/zinc/14/22/78/135142278.db2.gz OHPVMSQQFMFQHF-UHFFFAOYSA-N 2 2 215.341 0.442 20 0 BCADLP C[NH2+]CCC[N@H+](C)CC(=O)NC1CCCC1 ZINC000087472774 135142281 /nfs/dbraw/zinc/14/22/81/135142281.db2.gz VGZIWJUQHDGGRN-UHFFFAOYSA-N 2 2 227.352 0.587 20 0 BCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NC1CCCC1 ZINC000087472774 135142283 /nfs/dbraw/zinc/14/22/83/135142283.db2.gz VGZIWJUQHDGGRN-UHFFFAOYSA-N 2 2 227.352 0.587 20 0 BCADLP CCN(CC)C(=O)[C@H](C)[N@H+](C)CCC[NH2+]C ZINC000087472562 135142913 /nfs/dbraw/zinc/14/29/13/135142913.db2.gz VKYHGMJQWRNSMR-NSHDSACASA-N 2 2 229.368 0.785 20 0 BCADLP CCN(CC)C(=O)[C@H](C)[N@@H+](C)CCC[NH2+]C ZINC000087472562 135142915 /nfs/dbraw/zinc/14/29/15/135142915.db2.gz VKYHGMJQWRNSMR-NSHDSACASA-N 2 2 229.368 0.785 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCn1cncn1 ZINC000261529558 135155564 /nfs/dbraw/zinc/15/55/64/135155564.db2.gz BAGXZZAYPGZWEE-JTQLQIEISA-N 2 2 209.297 0.091 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@H+]1CCn1cncn1 ZINC000261529558 135155565 /nfs/dbraw/zinc/15/55/65/135155565.db2.gz BAGXZZAYPGZWEE-JTQLQIEISA-N 2 2 209.297 0.091 20 0 BCADLP [NH3+]CC[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000261531762 135160703 /nfs/dbraw/zinc/16/07/03/135160703.db2.gz HUJFVIUNGHWPGE-UHFFFAOYSA-N 2 2 214.309 0.074 20 0 BCADLP [NH3+]CC[N@H+]1CCOCC2(CCOCC2)C1 ZINC000261531762 135160705 /nfs/dbraw/zinc/16/07/05/135160705.db2.gz HUJFVIUNGHWPGE-UHFFFAOYSA-N 2 2 214.309 0.074 20 0 BCADLP C[NH2+]CC1CC[NH+](Cc2csnn2)CC1 ZINC000261535166 135168938 /nfs/dbraw/zinc/16/89/38/135168938.db2.gz NXUZRDYVSOSSCA-UHFFFAOYSA-N 2 2 226.349 0.970 20 0 BCADLP [NH3+]Cc1nc(C[NH+]2C[C@@H]3CCC[C@H]3C2)no1 ZINC000261535213 135169172 /nfs/dbraw/zinc/16/91/72/135169172.db2.gz WOXZHQZRAUVFAR-IUCAKERBSA-N 2 2 222.292 0.760 20 0 BCADLP C[C@@H]1CC[N@H+](CC(C)(C)[NH3+])[C@@H](C(N)=O)C1 ZINC000261540190 135179595 /nfs/dbraw/zinc/17/95/95/135179595.db2.gz DTNNFCSWIPNODU-RKDXNWHRSA-N 2 2 213.325 0.310 20 0 BCADLP C[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])[C@@H](C(N)=O)C1 ZINC000261540190 135179596 /nfs/dbraw/zinc/17/95/96/135179596.db2.gz DTNNFCSWIPNODU-RKDXNWHRSA-N 2 2 213.325 0.310 20 0 BCADLP C[C@@H]1[C@H](C)[NH2+]CCN1Cc1c[nH+]cn1C ZINC000261540845 135180134 /nfs/dbraw/zinc/18/01/34/135180134.db2.gz FIWQAESMWARWTI-VHSXEESVSA-N 2 2 208.309 0.602 20 0 BCADLP CN(C(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)C1CC1 ZINC000261540957 135180218 /nfs/dbraw/zinc/18/02/18/135180218.db2.gz ASCWBEKQENXMKZ-CYBMUJFWSA-N 2 2 237.347 0.293 20 0 BCADLP CN(C(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)C1CC1 ZINC000261540957 135180219 /nfs/dbraw/zinc/18/02/19/135180219.db2.gz ASCWBEKQENXMKZ-CYBMUJFWSA-N 2 2 237.347 0.293 20 0 BCADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1c[nH+]c[nH]1 ZINC000084081132 135180725 /nfs/dbraw/zinc/18/07/25/135180725.db2.gz BXQBVKPIDFVAFV-VXNVDRBHSA-N 2 2 210.281 0.399 20 0 BCADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1c[nH]c[nH+]1 ZINC000084081132 135180726 /nfs/dbraw/zinc/18/07/26/135180726.db2.gz BXQBVKPIDFVAFV-VXNVDRBHSA-N 2 2 210.281 0.399 20 0 BCADLP CCC[C@@](C)([NH3+])C(=O)NCc1c[nH+]c[nH]1 ZINC000084081181 135181407 /nfs/dbraw/zinc/18/14/07/135181407.db2.gz VOWBJJXJGQVAPP-SNVBAGLBSA-N 2 2 210.281 0.543 20 0 BCADLP CCC[C@@](C)([NH3+])C(=O)NCc1c[nH]c[nH+]1 ZINC000084081181 135181408 /nfs/dbraw/zinc/18/14/08/135181408.db2.gz VOWBJJXJGQVAPP-SNVBAGLBSA-N 2 2 210.281 0.543 20 0 BCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1c[nH+]c[nH]1 ZINC000084081131 135181520 /nfs/dbraw/zinc/18/15/20/135181520.db2.gz BXQBVKPIDFVAFV-APPZFPTMSA-N 2 2 210.281 0.399 20 0 BCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1c[nH]c[nH+]1 ZINC000084081131 135181522 /nfs/dbraw/zinc/18/15/22/135181522.db2.gz BXQBVKPIDFVAFV-APPZFPTMSA-N 2 2 210.281 0.399 20 0 BCADLP C[C@H]1CCC[N@H+](CCOCC[NH3+])[C@@H]1C[NH3+] ZINC000261555500 135195049 /nfs/dbraw/zinc/19/50/49/135195049.db2.gz VBYBWGADLDPPID-WDEREUQCSA-N 3 2 215.341 0.021 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261555283 135195375 /nfs/dbraw/zinc/19/53/75/135195375.db2.gz PSCQLVCHWTYXJH-VXGBXAGGSA-N 2 2 239.363 0.442 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261555283 135195377 /nfs/dbraw/zinc/19/53/77/135195377.db2.gz PSCQLVCHWTYXJH-VXGBXAGGSA-N 2 2 239.363 0.442 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261555281 135195506 /nfs/dbraw/zinc/19/55/06/135195506.db2.gz PSCQLVCHWTYXJH-NWDGAFQWSA-N 2 2 239.363 0.442 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261555281 135195508 /nfs/dbraw/zinc/19/55/08/135195508.db2.gz PSCQLVCHWTYXJH-NWDGAFQWSA-N 2 2 239.363 0.442 20 0 BCADLP c1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)n[nH]1 ZINC000261558137 135198818 /nfs/dbraw/zinc/19/88/18/135198818.db2.gz XVXZNQFSXNTAON-ONGXEEELSA-N 2 2 206.293 0.594 20 0 BCADLP c1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)n[nH]1 ZINC000261558137 135198820 /nfs/dbraw/zinc/19/88/20/135198820.db2.gz XVXZNQFSXNTAON-ONGXEEELSA-N 2 2 206.293 0.594 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261558853 135199733 /nfs/dbraw/zinc/19/97/33/135199733.db2.gz STXCIIBFCIKYHU-CKYFFXLPSA-N 2 2 237.347 0.337 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261558853 135199735 /nfs/dbraw/zinc/19/97/35/135199735.db2.gz STXCIIBFCIKYHU-CKYFFXLPSA-N 2 2 237.347 0.337 20 0 BCADLP C[N@H+](C[C@H]1CCC[NH2+]C1)CC(C)(C)C[NH3+] ZINC000261561219 135202192 /nfs/dbraw/zinc/20/21/92/135202192.db2.gz AMMHEQJMTHZQFF-NSHDSACASA-N 3 2 213.369 0.903 20 0 BCADLP Cn1nccc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261561786 135202551 /nfs/dbraw/zinc/20/25/51/135202551.db2.gz AVAMPRZWZJPLLB-GFCCVEGCSA-N 2 2 220.320 0.606 20 0 BCADLP Cn1nccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261561786 135202552 /nfs/dbraw/zinc/20/25/52/135202552.db2.gz AVAMPRZWZJPLLB-GFCCVEGCSA-N 2 2 220.320 0.606 20 0 BCADLP CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261563352 135204891 /nfs/dbraw/zinc/20/48/91/135204891.db2.gz WZDJQVFGBWJUQA-QWRGUYRKSA-N 2 2 239.363 0.585 20 0 BCADLP CC(C)(C)NC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261563352 135204892 /nfs/dbraw/zinc/20/48/92/135204892.db2.gz WZDJQVFGBWJUQA-QWRGUYRKSA-N 2 2 239.363 0.585 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000261565221 135206994 /nfs/dbraw/zinc/20/69/94/135206994.db2.gz CYNDAOQULWSVQY-UWVGGRQHSA-N 2 2 213.325 0.311 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000261565221 135206996 /nfs/dbraw/zinc/20/69/96/135206996.db2.gz CYNDAOQULWSVQY-UWVGGRQHSA-N 2 2 213.325 0.311 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261566654 135208685 /nfs/dbraw/zinc/20/86/85/135208685.db2.gz ZKBIIUQNZIJNRQ-OUAUKWLOSA-N 2 2 237.347 0.195 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261566654 135208686 /nfs/dbraw/zinc/20/86/86/135208686.db2.gz ZKBIIUQNZIJNRQ-OUAUKWLOSA-N 2 2 237.347 0.195 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261568929 135210991 /nfs/dbraw/zinc/21/09/91/135210991.db2.gz FZMRACRQEMRSOU-WDEREUQCSA-N 2 2 220.320 0.461 20 0 BCADLP Cn1ccnc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261568929 135210992 /nfs/dbraw/zinc/21/09/92/135210992.db2.gz FZMRACRQEMRSOU-WDEREUQCSA-N 2 2 220.320 0.461 20 0 BCADLP Cn1ccnc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261568929 135210993 /nfs/dbraw/zinc/21/09/93/135210993.db2.gz FZMRACRQEMRSOU-WDEREUQCSA-N 2 2 220.320 0.461 20 0 BCADLP CC(=O)NC[C@@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000261571606 135214380 /nfs/dbraw/zinc/21/43/80/135214380.db2.gz HPAVCIOEWNCPHM-ONGXEEELSA-N 2 2 213.325 0.182 20 0 BCADLP CC(=O)NC[C@@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000261571606 135214382 /nfs/dbraw/zinc/21/43/82/135214382.db2.gz HPAVCIOEWNCPHM-ONGXEEELSA-N 2 2 213.325 0.182 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCn1cncn1 ZINC000261577112 135218550 /nfs/dbraw/zinc/21/85/50/135218550.db2.gz KXHRWPUWACJQIC-MNOVXSKESA-N 2 2 223.324 0.480 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCn1cncn1 ZINC000261577112 135218551 /nfs/dbraw/zinc/21/85/51/135218551.db2.gz KXHRWPUWACJQIC-MNOVXSKESA-N 2 2 223.324 0.480 20 0 BCADLP CC(C)(C)NC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261576948 135218558 /nfs/dbraw/zinc/21/85/58/135218558.db2.gz KRTCLNAZLWGILR-LBPRGKRZSA-N 2 2 227.352 0.572 20 0 BCADLP CC(C)(C)NC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261576948 135218559 /nfs/dbraw/zinc/21/85/59/135218559.db2.gz KRTCLNAZLWGILR-LBPRGKRZSA-N 2 2 227.352 0.572 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261578190 135218841 /nfs/dbraw/zinc/21/88/41/135218841.db2.gz LNTMSIUSRVECQN-WDEREUQCSA-N 2 2 225.336 0.054 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261578190 135218842 /nfs/dbraw/zinc/21/88/42/135218842.db2.gz LNTMSIUSRVECQN-WDEREUQCSA-N 2 2 225.336 0.054 20 0 BCADLP COC[C@@]1(C(=O)Nc2cc[nH+]c(C)c2)CC[NH2+]C1 ZINC000261579028 135219740 /nfs/dbraw/zinc/21/97/40/135219740.db2.gz PIUUBIUDCFQNNP-CYBMUJFWSA-N 2 2 249.314 0.955 20 0 BCADLP C[C@H]([NH2+]CC1([NH3+])CCC1)C(=O)NC1CC1 ZINC000261582743 135223228 /nfs/dbraw/zinc/22/32/28/135223228.db2.gz OPOOATZYENOHRR-QMMMGPOBSA-N 2 2 211.309 0.125 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000261584559 135225847 /nfs/dbraw/zinc/22/58/47/135225847.db2.gz PYKUBTBMLKJYLK-WCBMZHEXSA-N 2 2 211.309 0.077 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000261584559 135225848 /nfs/dbraw/zinc/22/58/48/135225848.db2.gz PYKUBTBMLKJYLK-WCBMZHEXSA-N 2 2 211.309 0.077 20 0 BCADLP C[C@@H]([NH3+])C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000261587968 135228794 /nfs/dbraw/zinc/22/87/94/135228794.db2.gz SAOMSELJHVZTST-SECBINFHSA-N 2 2 213.325 0.134 20 0 BCADLP C[N@H+](CCOCC[NH3+])Cc1nccs1 ZINC000261589921 135230081 /nfs/dbraw/zinc/23/00/81/135230081.db2.gz UDZBIZFICDTWEJ-UHFFFAOYSA-N 2 2 215.322 0.550 20 0 BCADLP C[N@@H+](CCOCC[NH3+])Cc1nccs1 ZINC000261589921 135230082 /nfs/dbraw/zinc/23/00/82/135230082.db2.gz UDZBIZFICDTWEJ-UHFFFAOYSA-N 2 2 215.322 0.550 20 0 BCADLP CN(C)c1[nH+]cccc1CNC(=O)CC[NH3+] ZINC000261590470 135231116 /nfs/dbraw/zinc/23/11/16/135231116.db2.gz UNVJMVKEPKJHAO-UHFFFAOYSA-N 2 2 222.292 0.113 20 0 BCADLP COc1ccc([C@H](CO)[N@H+](C)CC[NH3+])cc1 ZINC000261599659 135237380 /nfs/dbraw/zinc/23/73/80/135237380.db2.gz ZWGJCCGNIHTXEA-LBPRGKRZSA-N 2 2 224.304 0.619 20 0 BCADLP COc1ccc([C@H](CO)[N@@H+](C)CC[NH3+])cc1 ZINC000261599659 135237381 /nfs/dbraw/zinc/23/73/81/135237381.db2.gz ZWGJCCGNIHTXEA-LBPRGKRZSA-N 2 2 224.304 0.619 20 0 BCADLP Cc1cnc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC000261618309 135244581 /nfs/dbraw/zinc/24/45/81/135244581.db2.gz CZAMMWNAOZLLDJ-GFCCVEGCSA-N 2 2 220.320 0.956 20 0 BCADLP Cc1cnc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC000261618309 135244582 /nfs/dbraw/zinc/24/45/82/135244582.db2.gz CZAMMWNAOZLLDJ-GFCCVEGCSA-N 2 2 220.320 0.956 20 0 BCADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cnnn1C ZINC000342284517 135255552 /nfs/dbraw/zinc/25/55/52/135255552.db2.gz RCDXQRYCGIMGNZ-UHFFFAOYSA-N 2 2 246.318 0.566 20 0 BCADLP C[C@H]([NH3+])CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000261853692 135257678 /nfs/dbraw/zinc/25/76/78/135257678.db2.gz OZMOKNGFUHWQQP-VIFPVBQESA-N 2 2 236.319 0.853 20 0 BCADLP C[C@@H]1C[NH+](C(C)(C)CNC(N)=[NH2+])C[C@@H](C)O1 ZINC000261874057 135259422 /nfs/dbraw/zinc/25/94/22/135259422.db2.gz PLEQVZFBHZGRJS-RKDXNWHRSA-N 2 2 228.340 0.357 20 0 BCADLP C[C@H]1C[NH+](C(C)(C)CNC(N)=[NH2+])C[C@H](C)O1 ZINC000261874055 135259452 /nfs/dbraw/zinc/25/94/52/135259452.db2.gz PLEQVZFBHZGRJS-IUCAKERBSA-N 2 2 228.340 0.357 20 0 BCADLP C[C@H](CN1CCOCC1)[N@H+](C)CC(C)(C)[NH3+] ZINC000261965471 135267231 /nfs/dbraw/zinc/26/72/31/135267231.db2.gz PTFRIHANESKAEH-LLVKDONJSA-N 2 2 229.368 0.376 20 0 BCADLP C[C@H](CN1CCOCC1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000261965471 135267232 /nfs/dbraw/zinc/26/72/32/135267232.db2.gz PTFRIHANESKAEH-LLVKDONJSA-N 2 2 229.368 0.376 20 0 BCADLP C[C@H](C[NH+]1CCOCC1)N(C)CC(C)(C)[NH3+] ZINC000261965471 135267233 /nfs/dbraw/zinc/26/72/33/135267233.db2.gz PTFRIHANESKAEH-LLVKDONJSA-N 2 2 229.368 0.376 20 0 BCADLP Cc1cccc(OCC[N@H+](CC[NH3+])CCO)c1 ZINC000342381509 135269068 /nfs/dbraw/zinc/26/90/68/135269068.db2.gz FSMIKFULXYFGRJ-UHFFFAOYSA-N 2 2 238.331 0.627 20 0 BCADLP Cc1cccc(OCC[N@@H+](CC[NH3+])CCO)c1 ZINC000342381509 135269070 /nfs/dbraw/zinc/26/90/70/135269070.db2.gz FSMIKFULXYFGRJ-UHFFFAOYSA-N 2 2 238.331 0.627 20 0 BCADLP Cc1[nH+]c2ccccn2c1CN(CC[NH3+])CCO ZINC000342395799 135270646 /nfs/dbraw/zinc/27/06/46/135270646.db2.gz ZKBQJEDNLRMGJW-UHFFFAOYSA-N 2 2 248.330 0.396 20 0 BCADLP [NH3+]CC[N@H+](CCO)CCCc1ccccc1 ZINC000342404761 135271709 /nfs/dbraw/zinc/27/17/09/135271709.db2.gz XXGAJXYDLFNEJZ-UHFFFAOYSA-N 2 2 222.332 0.872 20 0 BCADLP [NH3+]CC[N@@H+](CCO)CCCc1ccccc1 ZINC000342404761 135271711 /nfs/dbraw/zinc/27/17/11/135271711.db2.gz XXGAJXYDLFNEJZ-UHFFFAOYSA-N 2 2 222.332 0.872 20 0 BCADLP Cc1cccc2[nH+]c(CN(CC[NH3+])CCO)cn21 ZINC000342402330 135271723 /nfs/dbraw/zinc/27/17/23/135271723.db2.gz PPJAVDDMOFWOCM-UHFFFAOYSA-N 2 2 248.330 0.396 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H](CO)O1 ZINC000262120309 135279389 /nfs/dbraw/zinc/27/93/89/135279389.db2.gz XEVOUTXZNZWLSZ-WOPDTQHZSA-N 2 2 228.336 0.068 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H](CO)O1 ZINC000262120309 135279391 /nfs/dbraw/zinc/27/93/91/135279391.db2.gz XEVOUTXZNZWLSZ-WOPDTQHZSA-N 2 2 228.336 0.068 20 0 BCADLP C[N@H+](CC(=O)NC(C)(C)C)C[C@]1(C)CC[NH2+]C1 ZINC000262134602 135281176 /nfs/dbraw/zinc/28/11/76/135281176.db2.gz YOPBJFQYNPEIOQ-CYBMUJFWSA-N 2 2 241.379 0.833 20 0 BCADLP C[N@@H+](CC(=O)NC(C)(C)C)C[C@]1(C)CC[NH2+]C1 ZINC000262134602 135281178 /nfs/dbraw/zinc/28/11/78/135281178.db2.gz YOPBJFQYNPEIOQ-CYBMUJFWSA-N 2 2 241.379 0.833 20 0 BCADLP C[C@H](C[NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000262367709 135297761 /nfs/dbraw/zinc/29/77/61/135297761.db2.gz LGLFHZPCZPFMEB-NXEZZACHSA-N 2 2 236.319 0.711 20 0 BCADLP [NH3+]CC(F)(F)CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000262721348 135315505 /nfs/dbraw/zinc/31/55/05/135315505.db2.gz VPPHCIKBPZLCMV-SECBINFHSA-N 2 2 243.257 0.397 20 0 BCADLP CC[C@@H]1C[N@H+](CCNC2=[NH+]CCCN2)CCO1 ZINC000262756672 135317001 /nfs/dbraw/zinc/31/70/01/135317001.db2.gz DQDYXUXCFQTMJT-LLVKDONJSA-N 2 2 240.351 0.036 20 0 BCADLP CC[C@@H]1C[N@@H+](CCNC2=[NH+]CCCN2)CCO1 ZINC000262756672 135317002 /nfs/dbraw/zinc/31/70/02/135317002.db2.gz DQDYXUXCFQTMJT-LLVKDONJSA-N 2 2 240.351 0.036 20 0 BCADLP Cc1c[nH+]c(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)n1C ZINC000342799873 135321351 /nfs/dbraw/zinc/32/13/51/135321351.db2.gz PDHAHGYSJPZCBN-NWDGAFQWSA-N 2 2 234.347 0.912 20 0 BCADLP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000262933080 135324364 /nfs/dbraw/zinc/32/43/64/135324364.db2.gz HZDKAHJXWAWYJX-JOYOIKCWSA-N 2 2 236.319 0.934 20 0 BCADLP CC[N@H+](C)CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263317204 135346355 /nfs/dbraw/zinc/34/63/55/135346355.db2.gz ZQTYMGKLOGIAFL-QMMMGPOBSA-N 2 2 235.278 0.052 20 0 BCADLP CC[N@@H+](C)CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263317204 135346356 /nfs/dbraw/zinc/34/63/56/135346356.db2.gz ZQTYMGKLOGIAFL-QMMMGPOBSA-N 2 2 235.278 0.052 20 0 BCADLP CC[NH+]1CCC([NH2+][C@@H](C)C[S@](C)=O)CC1 ZINC000164499908 135380141 /nfs/dbraw/zinc/38/01/41/135380141.db2.gz ALKORMOFBFHADU-ZUZCIYMTSA-N 2 2 232.393 0.827 20 0 BCADLP [NH3+]C1CC[NH+](CC(=O)NCC2CCC2)CC1 ZINC000086206155 135490195 /nfs/dbraw/zinc/49/01/95/135490195.db2.gz UBXKRXDHAKQIQU-UHFFFAOYSA-N 2 2 225.336 0.326 20 0 BCADLP Cc1cc(NC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc[nH+]1 ZINC000334822831 135833513 /nfs/dbraw/zinc/83/35/13/135833513.db2.gz FUHWFPPMFFGFTB-KCJUWKMLSA-N 2 2 234.303 0.623 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1CO ZINC000347732362 136004674 /nfs/dbraw/zinc/00/46/74/136004674.db2.gz IWKIHSDUBSYPMC-LLVKDONJSA-N 2 2 209.293 0.419 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1CO ZINC000347732362 136004675 /nfs/dbraw/zinc/00/46/75/136004675.db2.gz IWKIHSDUBSYPMC-LLVKDONJSA-N 2 2 209.293 0.419 20 0 BCADLP Cc1cc[nH+]c(N2CC[N@@H+]3CCOC[C@H]3C2)c1 ZINC000347889769 136015195 /nfs/dbraw/zinc/01/51/95/136015195.db2.gz XKSLTRINILDALO-GFCCVEGCSA-N 2 2 233.315 0.911 20 0 BCADLP Cc1cc[nH+]c(N2CC[N@H+]3CCOC[C@H]3C2)c1 ZINC000347889769 136015196 /nfs/dbraw/zinc/01/51/96/136015196.db2.gz XKSLTRINILDALO-GFCCVEGCSA-N 2 2 233.315 0.911 20 0 BCADLP c1cnn(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000335309657 136028524 /nfs/dbraw/zinc/02/85/24/136028524.db2.gz YSJIOKXOBBTQJZ-MNOVXSKESA-N 2 2 206.293 0.177 20 0 BCADLP c1cnn(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000335309657 136028525 /nfs/dbraw/zinc/02/85/25/136028525.db2.gz YSJIOKXOBBTQJZ-MNOVXSKESA-N 2 2 206.293 0.177 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c[nH+]1 ZINC000335374072 136084726 /nfs/dbraw/zinc/08/47/26/136084726.db2.gz WHYQWICYNOWZTH-DTWKUNHWSA-N 2 2 222.292 0.575 20 0 BCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn[nH]c1 ZINC000590073768 397816023 /nfs/dbraw/zinc/81/60/23/397816023.db2.gz MNSSXKUJVDQAMM-LBPRGKRZSA-N 2 2 238.335 0.610 20 0 BCADLP NC(=O)C1(c2ccccc2)CC[NH+](CC[NH3+])CC1 ZINC000647885975 397930819 /nfs/dbraw/zinc/93/08/19/397930819.db2.gz YLFOKQNCPVPJDV-UHFFFAOYSA-N 2 2 247.342 0.464 20 0 BCADLP COC[C@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267441368 397948328 /nfs/dbraw/zinc/94/83/28/397948328.db2.gz CDSVOTPWZVBYPL-LLVKDONJSA-N 2 2 239.319 0.596 20 0 BCADLP Cc1[nH]c(C(=O)NCC(C)(C)[NH+](C)C)c[nH+]1 ZINC000270035985 397960033 /nfs/dbraw/zinc/96/00/33/397960033.db2.gz BYSZYHVZNXOSLR-UHFFFAOYSA-N 2 2 224.308 0.788 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)[C@H](C)O1 ZINC000643538407 397919176 /nfs/dbraw/zinc/91/91/76/397919176.db2.gz JSRDIAKIUHTRSR-NMUGVGKYSA-N 2 2 216.300 0.842 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000275492608 398021776 /nfs/dbraw/zinc/02/17/76/398021776.db2.gz BEMSKWHMWYCYBE-KXUCPTDWSA-N 2 2 240.282 0.088 20 0 BCADLP C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]1CC[NH2+]C1 ZINC000382754703 397972009 /nfs/dbraw/zinc/97/20/09/397972009.db2.gz MGMFBFMZCVQWCY-SNVBAGLBSA-N 2 2 227.352 0.442 20 0 BCADLP C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]1CC[NH2+]C1 ZINC000382754703 397972015 /nfs/dbraw/zinc/97/20/15/397972015.db2.gz MGMFBFMZCVQWCY-SNVBAGLBSA-N 2 2 227.352 0.442 20 0 BCADLP CC[C@@](C)([NH3+])c1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000384190664 398072191 /nfs/dbraw/zinc/07/21/91/398072191.db2.gz VHNHMCATBCWCJE-SNVBAGLBSA-N 2 2 220.280 0.633 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]Cc2ncc[nH]2)CC[N@@H+]1C ZINC000090720683 398111731 /nfs/dbraw/zinc/11/17/31/398111731.db2.gz VDZZCQGVVPKLSI-UWVGGRQHSA-N 2 2 208.309 0.982 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]Cc2ncc[nH]2)CC[N@H+]1C ZINC000090720683 398111736 /nfs/dbraw/zinc/11/17/36/398111736.db2.gz VDZZCQGVVPKLSI-UWVGGRQHSA-N 2 2 208.309 0.982 20 0 BCADLP C[C@H]1C[C@@H](NCc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000090720683 398111739 /nfs/dbraw/zinc/11/17/39/398111739.db2.gz VDZZCQGVVPKLSI-UWVGGRQHSA-N 2 2 208.309 0.982 20 0 BCADLP C[C@H]1C[C@@H](NCc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000090720683 398111744 /nfs/dbraw/zinc/11/17/44/398111744.db2.gz VDZZCQGVVPKLSI-UWVGGRQHSA-N 2 2 208.309 0.982 20 0 BCADLP CCn1nccc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000414932453 398112023 /nfs/dbraw/zinc/11/20/23/398112023.db2.gz RCUPVRIORXUBAZ-CMPLNLGQSA-N 2 2 222.336 0.991 20 0 BCADLP c1cc2[nH+]ccc(NC[C@H]3COCC[NH2+]3)c2cn1 ZINC000630531578 398131828 /nfs/dbraw/zinc/13/18/28/398131828.db2.gz BYYDFEVFPDZUMT-JTQLQIEISA-N 2 2 244.298 0.452 20 0 BCADLP C[C@H](C[NH2+][C@@H](C)C(C)(C)n1cncn1)[NH+](C)C ZINC000340474718 398129933 /nfs/dbraw/zinc/12/99/33/398129933.db2.gz URJUMWNIJNPYFU-MNOVXSKESA-N 2 2 239.367 0.941 20 0 BCADLP Cc1c(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cnn1C ZINC000400639221 398135061 /nfs/dbraw/zinc/13/50/61/398135061.db2.gz NPFIVROPWWPRLS-BXKDBHETSA-N 2 2 222.336 0.959 20 0 BCADLP COCCC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000169169618 487561780 /nfs/dbraw/zinc/56/17/80/487561780.db2.gz CMAVLXBZGGIXDH-UWVGGRQHSA-N 2 2 202.298 0.071 20 0 BCADLP COCCC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000169169618 487561786 /nfs/dbraw/zinc/56/17/86/487561786.db2.gz CMAVLXBZGGIXDH-UWVGGRQHSA-N 2 2 202.298 0.071 20 0 BCADLP COCCC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000169169854 487561872 /nfs/dbraw/zinc/56/18/72/487561872.db2.gz CMAVLXBZGGIXDH-NXEZZACHSA-N 2 2 202.298 0.071 20 0 BCADLP COCCC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000169169854 487561878 /nfs/dbraw/zinc/56/18/78/487561878.db2.gz CMAVLXBZGGIXDH-NXEZZACHSA-N 2 2 202.298 0.071 20 0 BCADLP O=C(CCc1c[nH+]c[nH]1)NCC[N@H+]1CC=CCC1 ZINC000527266942 487571252 /nfs/dbraw/zinc/57/12/52/487571252.db2.gz AXYDSFRFJGLQBM-UHFFFAOYSA-N 2 2 248.330 0.720 20 0 BCADLP O=C(CCc1c[nH+]c[nH]1)NCC[N@@H+]1CC=CCC1 ZINC000527266942 487571254 /nfs/dbraw/zinc/57/12/54/487571254.db2.gz AXYDSFRFJGLQBM-UHFFFAOYSA-N 2 2 248.330 0.720 20 0 BCADLP O=C(CCc1c[nH]c[nH+]1)NCC[N@H+]1CC=CCC1 ZINC000527266942 487571257 /nfs/dbraw/zinc/57/12/57/487571257.db2.gz AXYDSFRFJGLQBM-UHFFFAOYSA-N 2 2 248.330 0.720 20 0 BCADLP O=C(CCc1c[nH]c[nH+]1)NCC[N@@H+]1CC=CCC1 ZINC000527266942 487571258 /nfs/dbraw/zinc/57/12/58/487571258.db2.gz AXYDSFRFJGLQBM-UHFFFAOYSA-N 2 2 248.330 0.720 20 0 BCADLP [NH3+]C1(CC(=O)NCc2c[nH+]c[nH]2)CCC1 ZINC000086853739 487571338 /nfs/dbraw/zinc/57/13/38/487571338.db2.gz NBOJPEJMMRWMGS-UHFFFAOYSA-N 2 2 208.265 0.297 20 0 BCADLP [NH3+]C1(CC(=O)NCc2c[nH]c[nH+]2)CCC1 ZINC000086853739 487571339 /nfs/dbraw/zinc/57/13/39/487571339.db2.gz NBOJPEJMMRWMGS-UHFFFAOYSA-N 2 2 208.265 0.297 20 0 BCADLP Nc1ccc(C[NH+]2CCC([NH3+])CC2)cn1 ZINC000238585164 487586595 /nfs/dbraw/zinc/58/65/95/487586595.db2.gz HBNDGGVHNOJZFU-UHFFFAOYSA-N 2 2 206.293 0.587 20 0 BCADLP CC(C)OC[C@@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000337346118 167257707 /nfs/dbraw/zinc/25/77/07/167257707.db2.gz VUYIEMPJUIZNOB-OLZOCXBDSA-N 2 2 243.395 0.635 20 0 BCADLP CC(C)OC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000337346118 167257709 /nfs/dbraw/zinc/25/77/09/167257709.db2.gz VUYIEMPJUIZNOB-OLZOCXBDSA-N 2 2 243.395 0.635 20 0 BCADLP CC(C)OC[C@@H](O)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000049235167 167262532 /nfs/dbraw/zinc/26/25/32/167262532.db2.gz SNFZXWRMZBMQRP-NEPJUHHUSA-N 2 2 241.335 0.647 20 0 BCADLP C[C@@H]1C[C@H](C)N(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653094592 487602009 /nfs/dbraw/zinc/60/20/09/487602009.db2.gz JRRXHKPBJZCMHO-VWYCJHECSA-N 2 2 227.352 0.522 20 0 BCADLP C[C@@H]1C[C@@H](C)N(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653094589 487602178 /nfs/dbraw/zinc/60/21/78/487602178.db2.gz JRRXHKPBJZCMHO-GMTAPVOTSA-N 2 2 227.352 0.522 20 0 BCADLP Cc1nccnc1N1CC[NH+](CCC[NH3+])CC1 ZINC000214379164 487602981 /nfs/dbraw/zinc/60/29/81/487602981.db2.gz BMHOCIXLDJJLRR-UHFFFAOYSA-N 2 2 235.335 0.256 20 0 BCADLP Nc1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])c[nH+]1 ZINC000662413624 487603280 /nfs/dbraw/zinc/60/32/80/487603280.db2.gz ZHRNYMKDSHRBPJ-DTWKUNHWSA-N 2 2 220.276 0.730 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)C1 ZINC000309762543 487609234 /nfs/dbraw/zinc/60/92/34/487609234.db2.gz FBYXKDJYBFEVGC-LLVKDONJSA-N 2 2 230.352 0.267 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)C1 ZINC000309762543 487609240 /nfs/dbraw/zinc/60/92/40/487609240.db2.gz FBYXKDJYBFEVGC-LLVKDONJSA-N 2 2 230.352 0.267 20 0 BCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nc(N(C)C)no1 ZINC000662263410 409557730 /nfs/dbraw/zinc/55/77/30/409557730.db2.gz ARNOGLRAMYKGOY-RKDXNWHRSA-N 2 2 239.323 0.305 20 0 BCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nc(N(C)C)no1 ZINC000662263410 409557741 /nfs/dbraw/zinc/55/77/41/409557741.db2.gz ARNOGLRAMYKGOY-RKDXNWHRSA-N 2 2 239.323 0.305 20 0 BCADLP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662245227 409539270 /nfs/dbraw/zinc/53/92/70/409539270.db2.gz JFOYTLAAOFQPPK-JQWIXIFHSA-N 3 2 227.352 0.034 20 0 BCADLP CC[C@H](C)[C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653076831 409589778 /nfs/dbraw/zinc/58/97/78/409589778.db2.gz GMWGRGMPBRBISE-GARJFASQSA-N 2 2 229.368 0.816 20 0 BCADLP COC[C@H](C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)OC ZINC000662277725 409592822 /nfs/dbraw/zinc/59/28/22/409592822.db2.gz WHYCLOFTZUSKKM-SDDRHHMPSA-N 2 2 228.336 0.332 20 0 BCADLP COC[C@H](C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)OC ZINC000662277725 409592827 /nfs/dbraw/zinc/59/28/27/409592827.db2.gz WHYCLOFTZUSKKM-SDDRHHMPSA-N 2 2 228.336 0.332 20 0 BCADLP C[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000653078706 409598293 /nfs/dbraw/zinc/59/82/93/409598293.db2.gz INHRDRNZWOZXGH-KOLCDFICSA-N 2 2 227.352 0.428 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC(C)(C)CC1 ZINC000653085322 409611644 /nfs/dbraw/zinc/61/16/44/409611644.db2.gz IXKIFNZDWFQYKE-LLVKDONJSA-N 2 2 241.379 0.914 20 0 BCADLP C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653086869 409614258 /nfs/dbraw/zinc/61/42/58/409614258.db2.gz DLJHOELWGLGVGR-VWYCJHECSA-N 2 2 227.352 0.570 20 0 BCADLP C[C@@H]1CCC[C@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653086866 409614568 /nfs/dbraw/zinc/61/45/68/409614568.db2.gz DLJHOELWGLGVGR-GMTAPVOTSA-N 2 2 227.352 0.570 20 0 BCADLP CCc1nocc1C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662283704 409615060 /nfs/dbraw/zinc/61/50/60/409615060.db2.gz JXWNJNVEGWUMBX-UHFFFAOYSA-N 2 2 239.319 0.441 20 0 BCADLP CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CCC1 ZINC000653094426 409700906 /nfs/dbraw/zinc/70/09/06/409700906.db2.gz FLSNLCISPXVXBY-NSHDSACASA-N 2 2 227.352 0.666 20 0 BCADLP CC(C)C1(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653095139 409705384 /nfs/dbraw/zinc/70/53/84/409705384.db2.gz AYRIGXFAWCEFPG-NSHDSACASA-N 2 2 241.379 0.818 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCCC1(C)C ZINC000653091951 409674846 /nfs/dbraw/zinc/67/48/46/409674846.db2.gz NWOGHACFHARUFT-QWRGUYRKSA-N 2 2 241.379 0.960 20 0 BCADLP CC[C@H]([NH2+]C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000662381845 409684396 /nfs/dbraw/zinc/68/43/96/409684396.db2.gz HJUXKSRCOBTHRB-ZJUUUORDSA-N 2 2 224.308 0.386 20 0 BCADLP CC[C@@H]1CCC[C@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653100822 409780569 /nfs/dbraw/zinc/78/05/69/409780569.db2.gz ZWCDJXBTQDHETP-GRYCIOLGSA-N 2 2 241.379 0.960 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653123909 409832009 /nfs/dbraw/zinc/83/20/09/409832009.db2.gz LANFXBGVHRPSKY-JTQLQIEISA-N 2 2 236.319 0.724 20 0 BCADLP CC[C@@H]([NH2+]C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000662690277 409836252 /nfs/dbraw/zinc/83/62/52/409836252.db2.gz ZHOGBETYTCXQLO-WDEREUQCSA-N 2 2 238.335 0.633 20 0 BCADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H]1CCSC1 ZINC000653125670 409836352 /nfs/dbraw/zinc/83/63/52/409836352.db2.gz PXOPUVUTHKDJAE-ZJUUUORDSA-N 2 2 245.392 0.229 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc(O)c1 ZINC000653130441 409846306 /nfs/dbraw/zinc/84/63/06/409846306.db2.gz LAFUDUQCZCJSGX-NSHDSACASA-N 2 2 237.303 0.610 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(O)cc1 ZINC000653130514 409847277 /nfs/dbraw/zinc/84/72/77/409847277.db2.gz PXQKNIAZYHRABG-LLVKDONJSA-N 2 2 237.303 0.610 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc(O)c1 ZINC000653130440 409847294 /nfs/dbraw/zinc/84/72/94/409847294.db2.gz LAFUDUQCZCJSGX-LLVKDONJSA-N 2 2 237.303 0.610 20 0 BCADLP CC[C@H](C)CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000662628051 409797810 /nfs/dbraw/zinc/79/78/10/409797810.db2.gz WIAYNSLHZQOMIH-QWRGUYRKSA-N 2 2 229.368 0.818 20 0 BCADLP Cc1cc(NC(=O)[C@H](N)CC[NH+](C)C)cc[nH+]1 ZINC000653106239 409801600 /nfs/dbraw/zinc/80/16/00/409801600.db2.gz YDTWLWWIHLOTFN-LLVKDONJSA-N 2 2 236.319 0.029 20 0 BCADLP Cc1cc(NC(=O)[C@@H](N)CC[NH+](C)C)cc[nH+]1 ZINC000653106240 409802830 /nfs/dbraw/zinc/80/28/30/409802830.db2.gz YDTWLWWIHLOTFN-NSHDSACASA-N 2 2 236.319 0.029 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1=CCCC1 ZINC000662706729 409858622 /nfs/dbraw/zinc/85/86/22/409858622.db2.gz BNWPDUGZCLYXGI-LLVKDONJSA-N 2 2 225.336 0.492 20 0 BCADLP C[NH+](C)CC(C)(C)[NH2+]C[C@@H]1CCC(=O)N1 ZINC000308638659 409895796 /nfs/dbraw/zinc/89/57/96/409895796.db2.gz WGBWRGLRCGLDHP-VIFPVBQESA-N 2 2 213.325 0.195 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)CC[NH3+] ZINC000662899279 409972772 /nfs/dbraw/zinc/97/27/72/409972772.db2.gz FWSOTYOKSLYWBW-MRVPVSSYSA-N 2 2 210.281 0.429 20 0 BCADLP CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000653156860 409976291 /nfs/dbraw/zinc/97/62/91/409976291.db2.gz NUKCANNYYXFLTE-NSHDSACASA-N 2 2 227.352 0.666 20 0 BCADLP C[NH2+]C[C@@H](C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662933653 409979811 /nfs/dbraw/zinc/97/98/11/409979811.db2.gz JCYAVCJQAZCJBS-RKDXNWHRSA-N 2 2 224.308 0.453 20 0 BCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662933120 409979892 /nfs/dbraw/zinc/97/98/92/409979892.db2.gz GOUFRYSTZZSZJR-AEJSXWLSSA-N 2 2 238.335 0.971 20 0 BCADLP C[C@H](NC(=O)CC1([NH3+])CC1)c1[nH+]ccn1C ZINC000662933643 409981525 /nfs/dbraw/zinc/98/15/25/409981525.db2.gz JAQQAARCOUPGKH-QMMMGPOBSA-N 2 2 222.292 0.479 20 0 BCADLP C[NH2+]C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000662969866 409998368 /nfs/dbraw/zinc/99/83/68/409998368.db2.gz RFTRGBLIINQCKZ-VHSXEESVSA-N 2 2 224.308 0.558 20 0 BCADLP C[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655412231 410215901 /nfs/dbraw/zinc/21/59/01/410215901.db2.gz OSOAUVLLDGENDY-SNVBAGLBSA-N 2 2 236.319 0.171 20 0 BCADLP [NH3+][C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000655411637 410215996 /nfs/dbraw/zinc/21/59/96/410215996.db2.gz DTVYQGROHHDCIQ-VHSXEESVSA-N 2 2 234.303 0.005 20 0 BCADLP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655414209 410219261 /nfs/dbraw/zinc/21/92/61/410219261.db2.gz ONCLSBONKNMGAA-MNOVXSKESA-N 2 2 248.330 0.266 20 0 BCADLP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1[nH]cc[nH+]1 ZINC000655401903 410206290 /nfs/dbraw/zinc/20/62/90/410206290.db2.gz WUENUJZWMDCXID-RKDXNWHRSA-N 2 2 222.292 0.681 20 0 BCADLP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)c1[nH]cc[nH+]1 ZINC000655401903 410206294 /nfs/dbraw/zinc/20/62/94/410206294.db2.gz WUENUJZWMDCXID-RKDXNWHRSA-N 2 2 222.292 0.681 20 0 BCADLP CCCn1cc(C[NH2+][C@@H](C)C[NH2+]C)cn1 ZINC000663509512 410281074 /nfs/dbraw/zinc/28/10/74/410281074.db2.gz ZATUQFRNOYCHTD-JTQLQIEISA-N 2 2 210.325 0.991 20 0 BCADLP Nc1ccc(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)c[nH+]1 ZINC000655416404 410224246 /nfs/dbraw/zinc/22/42/46/410224246.db2.gz SBAKSLDDUNMSQW-ZWNOBZJWSA-N 2 2 246.314 0.992 20 0 BCADLP CC(C)([NH3+])CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655417478 410225356 /nfs/dbraw/zinc/22/53/56/410225356.db2.gz LVMVQPITYYDZHK-SECBINFHSA-N 2 2 236.319 0.299 20 0 BCADLP OCCO[C@@H]1CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634992446 410330976 /nfs/dbraw/zinc/33/09/76/410330976.db2.gz PAOJHFIDPSVKGJ-OTTFEQOBSA-N 2 2 240.347 0.212 20 0 BCADLP OCCO[C@@H]1CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634992446 410330980 /nfs/dbraw/zinc/33/09/80/410330980.db2.gz PAOJHFIDPSVKGJ-OTTFEQOBSA-N 2 2 240.347 0.212 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650745296 410380608 /nfs/dbraw/zinc/38/06/08/410380608.db2.gz DAJBEQIIALVSEO-MNOVXSKESA-N 3 2 211.353 0.655 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650745296 410380612 /nfs/dbraw/zinc/38/06/12/410380612.db2.gz DAJBEQIIALVSEO-MNOVXSKESA-N 3 2 211.353 0.655 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](CO)C1 ZINC000314562887 410387250 /nfs/dbraw/zinc/38/72/50/410387250.db2.gz MAUZPUSCCOAJDK-NSHDSACASA-N 2 2 223.320 0.667 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](CO)C1 ZINC000314562887 410387258 /nfs/dbraw/zinc/38/72/58/410387258.db2.gz MAUZPUSCCOAJDK-NSHDSACASA-N 2 2 223.320 0.667 20 0 BCADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cn(C)nn1 ZINC000650760279 410406424 /nfs/dbraw/zinc/40/64/24/410406424.db2.gz ZQGRSNQXLORCQX-GXSJLCMTSA-N 2 2 223.324 0.293 20 0 BCADLP Cn1cc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])nn1 ZINC000650759669 410407857 /nfs/dbraw/zinc/40/78/57/410407857.db2.gz NUMZUDTYYKIUGS-QWRGUYRKSA-N 2 2 223.324 0.565 20 0 BCADLP CC[C@H]([NH3+])CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655465346 410664488 /nfs/dbraw/zinc/66/44/88/410664488.db2.gz FKVTWRTZDNKYFH-UWVGGRQHSA-N 2 2 236.319 0.299 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](O)C1 ZINC000309277972 410701566 /nfs/dbraw/zinc/70/15/66/410701566.db2.gz SLULPYZMQDURQF-NWDGAFQWSA-N 2 2 230.352 0.144 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](O)C1 ZINC000309277972 410701570 /nfs/dbraw/zinc/70/15/70/410701570.db2.gz SLULPYZMQDURQF-NWDGAFQWSA-N 2 2 230.352 0.144 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](O)C1 ZINC000309277972 410701577 /nfs/dbraw/zinc/70/15/77/410701577.db2.gz SLULPYZMQDURQF-NWDGAFQWSA-N 2 2 230.352 0.144 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](O)C1 ZINC000309277972 410701580 /nfs/dbraw/zinc/70/15/80/410701580.db2.gz SLULPYZMQDURQF-NWDGAFQWSA-N 2 2 230.352 0.144 20 0 BCADLP C[C@@H](CC(=O)NCCC[NH+](C)C)n1cc[nH+]c1 ZINC000650988881 410679922 /nfs/dbraw/zinc/67/99/22/410679922.db2.gz SKCYPPLNFSTORQ-NSHDSACASA-N 2 2 238.335 0.902 20 0 BCADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(C)(C)O ZINC000393956912 410770770 /nfs/dbraw/zinc/77/07/70/410770770.db2.gz HLJQOIDYMGXKKT-SECBINFHSA-N 2 2 240.351 0.735 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)Cc1cnccn1 ZINC000665297529 410819034 /nfs/dbraw/zinc/81/90/34/410819034.db2.gz HTKCWFAOLWSOOX-NXEZZACHSA-N 2 2 208.309 0.605 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)Cc1cnccn1 ZINC000665297532 410819765 /nfs/dbraw/zinc/81/97/65/410819765.db2.gz HTKCWFAOLWSOOX-ZJUUUORDSA-N 2 2 208.309 0.605 20 0 BCADLP CC(C)C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000020036969 167002423 /nfs/dbraw/zinc/00/24/23/167002423.db2.gz HAMTXUNFXOUDDW-UHFFFAOYSA-N 2 2 213.325 0.006 20 0 BCADLP CC(C)[NH2+]CC[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000367462098 167107454 /nfs/dbraw/zinc/10/74/54/167107454.db2.gz CUDOTFZGOCTKHS-YPMHNXCESA-N 2 2 239.363 0.631 20 0 BCADLP CC(C)[C@@H](C)NC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000036300501 167373192 /nfs/dbraw/zinc/37/31/92/167373192.db2.gz WGDDKKXHAYIFTC-LLVKDONJSA-N 2 2 241.379 0.831 20 0 BCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000036300501 167373194 /nfs/dbraw/zinc/37/31/94/167373194.db2.gz WGDDKKXHAYIFTC-LLVKDONJSA-N 2 2 241.379 0.831 20 0 BCADLP C[NH2+]C[C@@H](C)CNc1ncnc2c1C[N@H+](C)CC2 ZINC000420217908 410954530 /nfs/dbraw/zinc/95/45/30/410954530.db2.gz XUJMINOVEPEYGR-SNVBAGLBSA-N 2 2 249.362 0.732 20 0 BCADLP C[NH2+]C[C@@H](C)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC000420217908 410954538 /nfs/dbraw/zinc/95/45/38/410954538.db2.gz XUJMINOVEPEYGR-SNVBAGLBSA-N 2 2 249.362 0.732 20 0 BCADLP C[NH+](C)CCN1CCN(c2cccc[nH+]2)CC1=O ZINC000651383552 410967237 /nfs/dbraw/zinc/96/72/37/410967237.db2.gz FADQKVVSACENJD-UHFFFAOYSA-N 2 2 248.330 0.292 20 0 BCADLP O=C1CC[C@@H]2C[N@H+](CCn3cc[nH+]c3)CC[C@H]2N1 ZINC000661596159 410984285 /nfs/dbraw/zinc/98/42/85/410984285.db2.gz ARJKBNSZAABOLM-VXGBXAGGSA-N 2 2 248.330 0.484 20 0 BCADLP O=C1CC[C@@H]2C[N@@H+](CCn3cc[nH+]c3)CC[C@H]2N1 ZINC000661596159 410984288 /nfs/dbraw/zinc/98/42/88/410984288.db2.gz ARJKBNSZAABOLM-VXGBXAGGSA-N 2 2 248.330 0.484 20 0 BCADLP C[NH2+]CCCC(=O)NCCCCn1cc[nH+]c1 ZINC000045109222 411144399 /nfs/dbraw/zinc/14/43/99/411144399.db2.gz BPJQDMIPKJVZFI-UHFFFAOYSA-N 2 2 238.335 0.779 20 0 BCADLP COc1c(C)[nH+]cnc1N1CCC(C[NH3+])CC1 ZINC000212983278 411151018 /nfs/dbraw/zinc/15/10/18/411151018.db2.gz XTLXTFLRKBCQTO-UHFFFAOYSA-N 2 2 236.319 0.969 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000651939650 411155173 /nfs/dbraw/zinc/15/51/73/411155173.db2.gz LZKXUOFQQVPNFN-SVDPJWKOSA-N 2 2 237.347 0.323 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000651939650 411155176 /nfs/dbraw/zinc/15/51/76/411155176.db2.gz LZKXUOFQQVPNFN-SVDPJWKOSA-N 2 2 237.347 0.323 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC[C@]1(O)CCOC1 ZINC000651943186 411157236 /nfs/dbraw/zinc/15/72/36/411157236.db2.gz IXOQYBATFAZRBF-WOPDTQHZSA-N 2 2 228.336 0.068 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC[C@]1(O)CCOC1 ZINC000651943186 411157240 /nfs/dbraw/zinc/15/72/40/411157240.db2.gz IXOQYBATFAZRBF-WOPDTQHZSA-N 2 2 228.336 0.068 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC[C@@]1(O)CCCOC1 ZINC000652041309 411088757 /nfs/dbraw/zinc/08/87/57/411088757.db2.gz YOHODWPJLMUMHR-AGIUHOORSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC[C@@]1(O)CCCOC1 ZINC000652041309 411088761 /nfs/dbraw/zinc/08/87/61/411088761.db2.gz YOHODWPJLMUMHR-AGIUHOORSA-N 2 2 242.363 0.458 20 0 BCADLP Cn1cncc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000309598140 411179371 /nfs/dbraw/zinc/17/93/71/411179371.db2.gz JDTOQTQKJMZSRM-UHFFFAOYSA-N 2 2 208.309 0.733 20 0 BCADLP Cn1c[nH+]cc1CN1CCC(C)([NH3+])CC1 ZINC000309598140 411179372 /nfs/dbraw/zinc/17/93/72/411179372.db2.gz JDTOQTQKJMZSRM-UHFFFAOYSA-N 2 2 208.309 0.733 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCNC(=O)C1 ZINC000111826226 411181233 /nfs/dbraw/zinc/18/12/33/411181233.db2.gz XYTOOWUCNIRZHD-MNOVXSKESA-N 2 2 236.319 0.530 20 0 BCADLP COc1ncncc1C[NH2+]CCC[NH+]1CCC1 ZINC000655754650 411184993 /nfs/dbraw/zinc/18/49/93/411184993.db2.gz TUIZAXRRAFQWSQ-UHFFFAOYSA-N 2 2 236.319 0.671 20 0 BCADLP Cc1cc(C[NH2+]CCC[NH+]2CCC2)nn1C ZINC000655754932 411185079 /nfs/dbraw/zinc/18/50/79/411185079.db2.gz YHANIDKTLRYNLO-UHFFFAOYSA-N 2 2 222.336 0.914 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC2(C1)CCCOC2 ZINC000656152594 411186841 /nfs/dbraw/zinc/18/68/41/411186841.db2.gz YHGUGWXZBBFHLU-LBPRGKRZSA-N 2 2 242.363 0.411 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC2(C1)CCCOC2 ZINC000656152594 411186845 /nfs/dbraw/zinc/18/68/45/411186845.db2.gz YHGUGWXZBBFHLU-LBPRGKRZSA-N 2 2 242.363 0.411 20 0 BCADLP CN(Cc1[nH+]ccn1C)C[C@H]1CC[NH2+]C1 ZINC000062252295 411197312 /nfs/dbraw/zinc/19/73/12/411197312.db2.gz FRCPWEXFOQTFAN-JTQLQIEISA-N 2 2 208.309 0.461 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000658020355 411199661 /nfs/dbraw/zinc/19/96/61/411199661.db2.gz UZXZVUPYWGNVID-ZJUUUORDSA-N 2 2 246.318 0.537 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000658020355 411199662 /nfs/dbraw/zinc/19/96/62/411199662.db2.gz UZXZVUPYWGNVID-ZJUUUORDSA-N 2 2 246.318 0.537 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC000656197733 411203163 /nfs/dbraw/zinc/20/31/63/411203163.db2.gz FHSIHYLSFOYJMH-RKDXNWHRSA-N 2 2 236.323 0.368 20 0 BCADLP [NH3+]C1(C[NH2+]Cc2cc3n(n2)CCC3)CCC1 ZINC000652340483 411204300 /nfs/dbraw/zinc/20/43/00/411204300.db2.gz WROKFTWNSDIUAD-UHFFFAOYSA-N 2 2 220.320 0.800 20 0 BCADLP COCC1(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)CC1 ZINC000656200106 411204549 /nfs/dbraw/zinc/20/45/49/411204549.db2.gz JQJUGCADKYHXDU-NWDGAFQWSA-N 2 2 242.363 0.770 20 0 BCADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000652339617 411205321 /nfs/dbraw/zinc/20/53/21/411205321.db2.gz DANLVFXAJRWKLX-QWRGUYRKSA-N 2 2 234.347 0.998 20 0 BCADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc2n(n1)CCC2 ZINC000652339617 411205322 /nfs/dbraw/zinc/20/53/22/411205322.db2.gz DANLVFXAJRWKLX-QWRGUYRKSA-N 2 2 234.347 0.998 20 0 BCADLP C[NH2+]C[C@](C)(O)C[NH2+][C@H](C)c1ccccn1 ZINC000652341399 411207036 /nfs/dbraw/zinc/20/70/36/411207036.db2.gz MSDKABMGADHGBL-PWSUYJOCSA-N 2 2 223.320 0.703 20 0 BCADLP C[C@@H](O)C[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000653903443 411218782 /nfs/dbraw/zinc/21/87/82/411218782.db2.gz HZGUFMZFQOBJIQ-MFKMUULPSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@@H](O)C[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000653903443 411218784 /nfs/dbraw/zinc/21/87/84/411218784.db2.gz HZGUFMZFQOBJIQ-MFKMUULPSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@@H](O)C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000653903443 411218787 /nfs/dbraw/zinc/21/87/87/411218787.db2.gz HZGUFMZFQOBJIQ-MFKMUULPSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@@H](O)C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000653903443 411218788 /nfs/dbraw/zinc/21/87/88/411218788.db2.gz HZGUFMZFQOBJIQ-MFKMUULPSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@H](O)C[N@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000653902500 411219686 /nfs/dbraw/zinc/21/96/86/411219686.db2.gz UYCPKQVTWWUPIR-JTQLQIEISA-N 2 2 223.320 0.808 20 0 BCADLP C[C@H](O)C[N@@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000653902500 411219689 /nfs/dbraw/zinc/21/96/89/411219689.db2.gz UYCPKQVTWWUPIR-JTQLQIEISA-N 2 2 223.320 0.808 20 0 BCADLP CC[C@@H](CO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655683221 411224126 /nfs/dbraw/zinc/22/41/26/411224126.db2.gz AHLZWUUERGIVSG-AAEUAGOBSA-N 2 2 242.363 0.600 20 0 BCADLP CO[C@](C)(CO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000655786741 411234890 /nfs/dbraw/zinc/23/48/90/411234890.db2.gz RXXYETIQCKDLSA-LOWVWBTDSA-N 2 2 242.363 0.599 20 0 BCADLP CO[C@](C)(CO)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000655786741 411234891 /nfs/dbraw/zinc/23/48/91/411234891.db2.gz RXXYETIQCKDLSA-LOWVWBTDSA-N 2 2 242.363 0.599 20 0 BCADLP CO[C@](C)(CO)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000655786740 411235169 /nfs/dbraw/zinc/23/51/69/411235169.db2.gz RXXYETIQCKDLSA-GVXVVHGQSA-N 2 2 242.363 0.599 20 0 BCADLP CO[C@](C)(CO)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000655786740 411235173 /nfs/dbraw/zinc/23/51/73/411235173.db2.gz RXXYETIQCKDLSA-GVXVVHGQSA-N 2 2 242.363 0.599 20 0 BCADLP CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000423173267 411235966 /nfs/dbraw/zinc/23/59/66/411235966.db2.gz XTBHJPYIXZODMC-XQHKEYJVSA-N 2 2 242.363 0.911 20 0 BCADLP CO[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000310542890 411241299 /nfs/dbraw/zinc/24/12/99/411241299.db2.gz RLSYKQAPQMGYRI-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CO[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000310542890 411241300 /nfs/dbraw/zinc/24/13/00/411241300.db2.gz RLSYKQAPQMGYRI-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CO[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000310542890 411241303 /nfs/dbraw/zinc/24/13/03/411241303.db2.gz RLSYKQAPQMGYRI-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CO[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000310542890 411241306 /nfs/dbraw/zinc/24/13/06/411241306.db2.gz RLSYKQAPQMGYRI-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CCOC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000656701765 411327232 /nfs/dbraw/zinc/32/72/32/411327232.db2.gz BTPFOWHQMLEXJH-NWDGAFQWSA-N 2 2 244.379 0.846 20 0 BCADLP Cc1nc(NC[C@@H]2COCC[NH2+]2)c(C)c(C)[nH+]1 ZINC000630533195 411266103 /nfs/dbraw/zinc/26/61/03/411266103.db2.gz SMUGESVONORMGE-LLVKDONJSA-N 2 2 236.319 0.802 20 0 BCADLP CCOC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000656701765 411327234 /nfs/dbraw/zinc/32/72/34/411327234.db2.gz BTPFOWHQMLEXJH-NWDGAFQWSA-N 2 2 244.379 0.846 20 0 BCADLP CC(C)([NH3+])c1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656459113 411268873 /nfs/dbraw/zinc/26/88/73/411268873.db2.gz OIHXIVGZVUQLJQ-UHFFFAOYSA-N 2 2 233.275 0.348 20 0 BCADLP CC(C)[C@@H]([NH3+])C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070645695 411271320 /nfs/dbraw/zinc/27/13/20/411271320.db2.gz JFUAIBGAMLKULK-SECBINFHSA-N 2 2 210.281 0.351 20 0 BCADLP CCC[C@](C)([NH3+])C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070645749 411271489 /nfs/dbraw/zinc/27/14/89/411271489.db2.gz JWGVMHOGCIKBKV-NSHDSACASA-N 2 2 224.308 0.886 20 0 BCADLP CC[C@@H](O)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000658190272 411285766 /nfs/dbraw/zinc/28/57/66/411285766.db2.gz LPYPRLRBRDIPQP-YUSALJHKSA-N 2 2 212.337 0.830 20 0 BCADLP CC[C@@H](O)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000658190272 411285770 /nfs/dbraw/zinc/28/57/70/411285770.db2.gz LPYPRLRBRDIPQP-YUSALJHKSA-N 2 2 212.337 0.830 20 0 BCADLP CC[C@@H](O)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000658190269 411285830 /nfs/dbraw/zinc/28/58/30/411285830.db2.gz LPYPRLRBRDIPQP-JLLWLGSASA-N 2 2 212.337 0.830 20 0 BCADLP CC[C@@H](O)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000658190269 411285832 /nfs/dbraw/zinc/28/58/32/411285832.db2.gz LPYPRLRBRDIPQP-JLLWLGSASA-N 2 2 212.337 0.830 20 0 BCADLP CCN(CC)C(=O)C[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000051889706 411285994 /nfs/dbraw/zinc/28/59/94/411285994.db2.gz QPVSYZMWLLYSSZ-NSHDSACASA-N 2 2 227.352 0.396 20 0 BCADLP CCN(CC)C(=O)C[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000051889706 411285996 /nfs/dbraw/zinc/28/59/96/411285996.db2.gz QPVSYZMWLLYSSZ-NSHDSACASA-N 2 2 227.352 0.396 20 0 BCADLP CC[C@H]1C[N@H+](Cc2cc[nH]n2)CC[C@H]1[NH3+] ZINC000309415174 411307231 /nfs/dbraw/zinc/30/72/31/411307231.db2.gz JCMKOPKFEFAWAC-GXSJLCMTSA-N 2 2 208.309 0.969 20 0 BCADLP CC[C@H]1C[N@@H+](Cc2cc[nH]n2)CC[C@H]1[NH3+] ZINC000309415174 411307234 /nfs/dbraw/zinc/30/72/34/411307234.db2.gz JCMKOPKFEFAWAC-GXSJLCMTSA-N 2 2 208.309 0.969 20 0 BCADLP Nc1[nH+]cnc(N2CC3CC2(C[NH3+])C3)c1Cl ZINC000656611825 411309419 /nfs/dbraw/zinc/30/94/19/411309419.db2.gz LJLRRYKOCBMCJT-UHFFFAOYSA-N 2 2 239.710 0.640 20 0 BCADLP C[NH2+]C1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000311053681 411309852 /nfs/dbraw/zinc/30/98/52/411309852.db2.gz HGCFUYJDWWMLNW-UHFFFAOYSA-N 2 2 246.318 0.552 20 0 BCADLP CCC(=O)N1CCC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000309806955 411252785 /nfs/dbraw/zinc/25/27/85/411252785.db2.gz SKHNSYBHUQGKAK-SNVBAGLBSA-N 2 2 213.325 0.278 20 0 BCADLP CCc1noc(C[N@@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000050249106 411256775 /nfs/dbraw/zinc/25/67/75/411256775.db2.gz DOOQDPAIVXONHR-QMMMGPOBSA-N 2 2 210.281 0.413 20 0 BCADLP CCc1noc(C[N@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000050249106 411256778 /nfs/dbraw/zinc/25/67/78/411256778.db2.gz DOOQDPAIVXONHR-QMMMGPOBSA-N 2 2 210.281 0.413 20 0 BCADLP CC[N@H+](C)C[C@H](O)CN(C)Cc1[nH]cc[nH+]1 ZINC000660142510 411258415 /nfs/dbraw/zinc/25/84/15/411258415.db2.gz GIVQKZFGTFJUIZ-JTQLQIEISA-N 2 2 226.324 0.154 20 0 BCADLP CC[N@@H+](C)C[C@H](O)CN(C)Cc1[nH]cc[nH+]1 ZINC000660142510 411258418 /nfs/dbraw/zinc/25/84/18/411258418.db2.gz GIVQKZFGTFJUIZ-JTQLQIEISA-N 2 2 226.324 0.154 20 0 BCADLP Cc1c[nH+]c(C)nc1NCCOCC[NH+](C)C ZINC000576598753 411350083 /nfs/dbraw/zinc/35/00/83/411350083.db2.gz XZNSRNYNHMYMNE-UHFFFAOYSA-N 2 2 238.335 1.084 20 0 BCADLP Cn1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)n1 ZINC000123803175 411355743 /nfs/dbraw/zinc/35/57/43/411355743.db2.gz ANIFIVZUAAWUMY-SNVBAGLBSA-N 2 2 208.309 0.591 20 0 BCADLP Cn1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)n1 ZINC000123803175 411355744 /nfs/dbraw/zinc/35/57/44/411355744.db2.gz ANIFIVZUAAWUMY-SNVBAGLBSA-N 2 2 208.309 0.591 20 0 BCADLP C[C@@]1(C[NH2+]CC2([NH3+])CCCC2)CC[NH2+]C1 ZINC000656789161 411369511 /nfs/dbraw/zinc/36/95/11/411369511.db2.gz KSZXNMWRMZDIMS-LLVKDONJSA-N 3 2 211.353 0.847 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC(CCOC)C1 ZINC000656703398 411339183 /nfs/dbraw/zinc/33/91/83/411339183.db2.gz RZCUNOVQDICJII-GFCCVEGCSA-N 2 2 230.352 0.267 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC(CCOC)C1 ZINC000656703398 411339185 /nfs/dbraw/zinc/33/91/85/411339185.db2.gz RZCUNOVQDICJII-GFCCVEGCSA-N 2 2 230.352 0.267 20 0 BCADLP Cn1nncc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662031 411375670 /nfs/dbraw/zinc/37/56/70/411375670.db2.gz GYOSAROGVBZRPS-ZDUSSCGKSA-N 2 2 249.362 0.733 20 0 BCADLP Cn1nncc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662031 411375674 /nfs/dbraw/zinc/37/56/74/411375674.db2.gz GYOSAROGVBZRPS-ZDUSSCGKSA-N 2 2 249.362 0.733 20 0 BCADLP Cn1nncc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660662031 411375677 /nfs/dbraw/zinc/37/56/77/411375677.db2.gz GYOSAROGVBZRPS-ZDUSSCGKSA-N 2 2 249.362 0.733 20 0 BCADLP Cn1nncc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660662031 411375680 /nfs/dbraw/zinc/37/56/80/411375680.db2.gz GYOSAROGVBZRPS-ZDUSSCGKSA-N 2 2 249.362 0.733 20 0 BCADLP CC[NH2+]Cc1cn(CCn2cc[nH+]c2)nn1 ZINC000052575425 411376000 /nfs/dbraw/zinc/37/60/00/411376000.db2.gz HKYKAUMLVCZXRQ-UHFFFAOYSA-N 2 2 220.280 0.284 20 0 BCADLP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH+](C)C ZINC000654479816 411403672 /nfs/dbraw/zinc/40/36/72/411403672.db2.gz HRAZZVQDHQCAEC-VHSXEESVSA-N 2 2 238.335 0.655 20 0 BCADLP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC000654479816 411403674 /nfs/dbraw/zinc/40/36/74/411403674.db2.gz HRAZZVQDHQCAEC-VHSXEESVSA-N 2 2 238.335 0.655 20 0 BCADLP Nc1ccc(NC(=O)[C@H]2CCC[NH2+]CC2)c[nH+]1 ZINC000653048646 411403853 /nfs/dbraw/zinc/40/38/53/411403853.db2.gz OXKUMVYUGIMXEQ-VIFPVBQESA-N 2 2 234.303 0.822 20 0 BCADLP CC(C)CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653056725 411406879 /nfs/dbraw/zinc/40/68/79/411406879.db2.gz WMZNGUGECXUWLL-SNVBAGLBSA-N 2 2 215.341 0.428 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC1CCCCC1 ZINC000653055976 411407070 /nfs/dbraw/zinc/40/70/70/411407070.db2.gz QTEBEHCJYMFYDH-NSHDSACASA-N 2 2 227.352 0.714 20 0 BCADLP CC[C@@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653056081 411407191 /nfs/dbraw/zinc/40/71/91/411407191.db2.gz STWDRFNNVPZJBW-RKDXNWHRSA-N 2 2 201.314 0.180 20 0 BCADLP C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653056467 411408180 /nfs/dbraw/zinc/40/81/80/411408180.db2.gz HTJWPMXHOQDLMV-UTUOFQBUSA-N 2 2 241.379 0.770 20 0 BCADLP C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653056607 411408233 /nfs/dbraw/zinc/40/82/33/411408233.db2.gz PUPLRFHTSUFAMV-MNOVXSKESA-N 2 2 227.352 0.524 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1CCCCC1 ZINC000653056437 411408269 /nfs/dbraw/zinc/40/82/69/411408269.db2.gz GKTMGFNLNPXXOE-LBPRGKRZSA-N 2 2 241.379 0.962 20 0 BCADLP CCCN(CCC)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653056754 411408335 /nfs/dbraw/zinc/40/83/35/411408335.db2.gz ZFVISANUOAOSGA-LLVKDONJSA-N 2 2 229.368 0.914 20 0 BCADLP CCCCN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653056556 411408494 /nfs/dbraw/zinc/40/84/94/411408494.db2.gz MQTJPQGKACCYGY-SNVBAGLBSA-N 2 2 215.341 0.524 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCC(C)(C)C ZINC000653065022 411410645 /nfs/dbraw/zinc/41/06/45/411410645.db2.gz PFTHHQYJKHFAGN-JTQLQIEISA-N 2 2 229.368 0.818 20 0 BCADLP CC(C)CCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653068678 411411429 /nfs/dbraw/zinc/41/14/29/411411429.db2.gz MGUMINUEPLMVSM-LLVKDONJSA-N 2 2 229.368 0.818 20 0 BCADLP CC(C)CCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653068679 411411733 /nfs/dbraw/zinc/41/17/33/411411733.db2.gz MGUMINUEPLMVSM-NSHDSACASA-N 2 2 229.368 0.818 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCCO)C1 ZINC000653591632 411426951 /nfs/dbraw/zinc/42/69/51/411426951.db2.gz RMPQNAHNBNNDEE-LLVKDONJSA-N 2 2 223.320 0.982 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCCCO)C1 ZINC000653591632 411426952 /nfs/dbraw/zinc/42/69/52/411426952.db2.gz RMPQNAHNBNNDEE-LLVKDONJSA-N 2 2 223.320 0.982 20 0 BCADLP C[C@@H](C[NH3+])CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659525729 411428112 /nfs/dbraw/zinc/42/81/12/411428112.db2.gz HBEHEFQPYIYTET-IUCAKERBSA-N 2 2 239.323 0.375 20 0 BCADLP C[C@@H](NC(=O)N[C@@H](C)CC[NH3+])c1[nH+]ccn1C ZINC000659531176 411430052 /nfs/dbraw/zinc/43/00/52/411430052.db2.gz YFMRAPMNHNODBV-DTWKUNHWSA-N 2 2 239.323 0.518 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCC(F)(F)C[NH3+] ZINC000659532698 411430475 /nfs/dbraw/zinc/43/04/75/411430475.db2.gz QWVTUKNBEISANJ-UHFFFAOYSA-N 2 2 247.249 0.145 20 0 BCADLP Cc1cnn(CC[N@@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000306036294 411431636 /nfs/dbraw/zinc/43/16/36/411431636.db2.gz MHGSKXJGIDPVHQ-NWDGAFQWSA-N 2 2 238.335 0.240 20 0 BCADLP Cc1cnn(CC[N@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000306036294 411431638 /nfs/dbraw/zinc/43/16/38/411431638.db2.gz MHGSKXJGIDPVHQ-NWDGAFQWSA-N 2 2 238.335 0.240 20 0 BCADLP Cc1cnn(CC[N@@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000306036293 411432402 /nfs/dbraw/zinc/43/24/02/411432402.db2.gz MHGSKXJGIDPVHQ-NEPJUHHUSA-N 2 2 238.335 0.240 20 0 BCADLP Cc1cnn(CC[N@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000306036293 411432405 /nfs/dbraw/zinc/43/24/05/411432405.db2.gz MHGSKXJGIDPVHQ-NEPJUHHUSA-N 2 2 238.335 0.240 20 0 BCADLP C[N@@H+]1CCN(C(=O)C[C@H]2C=CCC2)[C@@H](C[NH3+])C1 ZINC000122574117 411433389 /nfs/dbraw/zinc/43/33/89/411433389.db2.gz IVNZLBRMUIKNDD-RYUDHWBXSA-N 2 2 237.347 0.444 20 0 BCADLP C[N@H+]1CCN(C(=O)C[C@H]2C=CCC2)[C@@H](C[NH3+])C1 ZINC000122574117 411433392 /nfs/dbraw/zinc/43/33/92/411433392.db2.gz IVNZLBRMUIKNDD-RYUDHWBXSA-N 2 2 237.347 0.444 20 0 BCADLP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659547861 411433790 /nfs/dbraw/zinc/43/37/90/411433790.db2.gz FIWXFBLWNNVPMB-CIUDSAMLSA-N 2 2 239.323 0.516 20 0 BCADLP C[NH2+]C[C@@H](C)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000659626891 411443774 /nfs/dbraw/zinc/44/37/74/411443774.db2.gz DUUSPGKKSFZTSB-RKDXNWHRSA-N 2 2 239.323 0.388 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)C1CC(O)C1 ZINC000414760671 411444330 /nfs/dbraw/zinc/44/43/30/411444330.db2.gz YYDBOAGOWYRHLE-KPPDAEKUSA-N 2 2 200.326 0.815 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)C1CC(O)C1 ZINC000414760671 411444335 /nfs/dbraw/zinc/44/43/35/411444335.db2.gz YYDBOAGOWYRHLE-KPPDAEKUSA-N 2 2 200.326 0.815 20 0 BCADLP Cc1c[nH]c(C[NH2+]CCn2cc[nH+]c2)n1 ZINC000657290240 411451966 /nfs/dbraw/zinc/45/19/66/411451966.db2.gz ZXJUOZFIKXULNK-UHFFFAOYSA-N 2 2 205.265 0.704 20 0 BCADLP O[C@H]1C[C@@H](C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000653644231 411452378 /nfs/dbraw/zinc/45/23/78/411452378.db2.gz XNZQYXLFEOBSNY-PHIMTYICSA-N 2 2 236.319 0.303 20 0 BCADLP CCOCC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000126720488 411453225 /nfs/dbraw/zinc/45/32/25/411453225.db2.gz JIYXXBVAMRZGLE-NXEZZACHSA-N 2 2 202.298 0.071 20 0 BCADLP CCOCC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000126720488 411453227 /nfs/dbraw/zinc/45/32/27/411453227.db2.gz JIYXXBVAMRZGLE-NXEZZACHSA-N 2 2 202.298 0.071 20 0 BCADLP Cc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)nc(C)n1 ZINC000659849688 411476240 /nfs/dbraw/zinc/47/62/40/411476240.db2.gz JDJVXVPQMWJAGY-RYUDHWBXSA-N 2 2 232.331 0.745 20 0 BCADLP O=C(NCCc1[nH]cc[nH+]1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407289042 411477108 /nfs/dbraw/zinc/47/71/08/411477108.db2.gz HOYZOKFQSLNOIH-WDEREUQCSA-N 2 2 248.330 0.599 20 0 BCADLP O=C(NCCn1cc[nH+]c1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407293982 411477660 /nfs/dbraw/zinc/47/76/60/411477660.db2.gz JXUXQDYLFZTTMO-NWDGAFQWSA-N 2 2 248.330 0.530 20 0 BCADLP C[C@]1(C[NH2+]CCCn2cc[nH+]c2)CC[NH2+]C1 ZINC000415100061 411490763 /nfs/dbraw/zinc/49/07/63/411490763.db2.gz HHQWYYHXQLUNSO-GFCCVEGCSA-N 3 2 222.336 0.862 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000655085758 411493021 /nfs/dbraw/zinc/49/30/21/411493021.db2.gz AMXGCSMXZLYPAU-UHFFFAOYSA-N 2 2 236.319 0.378 20 0 BCADLP Cn1c[nH+]c(CN2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000659901473 411493093 /nfs/dbraw/zinc/49/30/93/411493093.db2.gz WEDNEDDFWCYABS-LBPRGKRZSA-N 2 2 238.335 0.183 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657401904 411496380 /nfs/dbraw/zinc/49/63/80/411496380.db2.gz HSJFNDIVBMONML-MRVPVSSYSA-N 2 2 222.292 0.183 20 0 BCADLP O[C@]1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCOC1 ZINC000657417769 411500702 /nfs/dbraw/zinc/50/07/02/411500702.db2.gz XBLHFKDFZFKFSV-LBPRGKRZSA-N 2 2 237.303 0.070 20 0 BCADLP CCN(C)C(=O)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657439608 411508093 /nfs/dbraw/zinc/50/80/93/411508093.db2.gz IVERPZKHEGOYRJ-UHFFFAOYSA-N 2 2 236.319 0.397 20 0 BCADLP O=C1CCC[C@@H](C[NH2+]Cc2c[nH+]c3n2CCC3)N1 ZINC000657453150 411514916 /nfs/dbraw/zinc/51/49/16/411514916.db2.gz WFSPLJJZNYKLAG-JTQLQIEISA-N 2 2 248.330 0.588 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806242 411520637 /nfs/dbraw/zinc/52/06/37/411520637.db2.gz SIBDIQIARPEBPU-NDBYEHHHSA-N 3 2 225.380 0.866 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806242 411520639 /nfs/dbraw/zinc/52/06/39/411520639.db2.gz SIBDIQIARPEBPU-NDBYEHHHSA-N 3 2 225.380 0.866 20 0 BCADLP O=C1C[C@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CN1 ZINC000659997203 411523458 /nfs/dbraw/zinc/52/34/58/411523458.db2.gz ABDDFMOQZKYDFK-JTQLQIEISA-N 2 2 248.330 0.725 20 0 BCADLP COCC1(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000655819151 411525994 /nfs/dbraw/zinc/52/59/94/411525994.db2.gz WNXZOLOTBQEHQZ-MNOVXSKESA-N 2 2 212.337 0.953 20 0 BCADLP COCC1(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000655819151 411525996 /nfs/dbraw/zinc/52/59/96/411525996.db2.gz WNXZOLOTBQEHQZ-MNOVXSKESA-N 2 2 212.337 0.953 20 0 BCADLP CC[N@@H+]1CC[C@@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000283589619 170005807 /nfs/dbraw/zinc/00/58/07/170005807.db2.gz XGZCLQVOCNJAQV-UFFNRZRYSA-N 2 2 248.330 0.881 20 0 BCADLP CC[N@H+]1CC[C@@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000283589619 170005808 /nfs/dbraw/zinc/00/58/08/170005808.db2.gz XGZCLQVOCNJAQV-UFFNRZRYSA-N 2 2 248.330 0.881 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)N(C)C)C1 ZINC000328384674 170014272 /nfs/dbraw/zinc/01/42/72/170014272.db2.gz WGKZQVRFKKPLBA-GHMZBOCLSA-N 2 2 227.352 0.537 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)N(C)C)C1 ZINC000328384674 170014273 /nfs/dbraw/zinc/01/42/73/170014273.db2.gz WGKZQVRFKKPLBA-GHMZBOCLSA-N 2 2 227.352 0.537 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H](CO)CCF)n1C ZINC000657502798 411539403 /nfs/dbraw/zinc/53/94/03/411539403.db2.gz PWSFOFJMYBBAJH-SECBINFHSA-N 2 2 215.272 0.539 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCNC(C)=O)C1 ZINC000336775881 170030068 /nfs/dbraw/zinc/03/00/68/170030068.db2.gz CZSBDIWDBRHRPZ-PWSUYJOCSA-N 2 2 227.352 0.442 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCNC(C)=O)C1 ZINC000336775881 170030070 /nfs/dbraw/zinc/03/00/70/170030070.db2.gz CZSBDIWDBRHRPZ-PWSUYJOCSA-N 2 2 227.352 0.442 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCc2cn[nH]c2)C1 ZINC000309491390 170031282 /nfs/dbraw/zinc/03/12/82/170031282.db2.gz XGQHLLBECJIRRX-ZYHUDNBSSA-N 2 2 222.336 0.882 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCc2cn[nH]c2)C1 ZINC000309491390 170031283 /nfs/dbraw/zinc/03/12/83/170031283.db2.gz XGQHLLBECJIRRX-ZYHUDNBSSA-N 2 2 222.336 0.882 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CCCC(=O)NC)[C@@H](C)C1 ZINC000309618519 170034752 /nfs/dbraw/zinc/03/47/52/170034752.db2.gz DMCHLIWJNJMZME-QWRGUYRKSA-N 2 2 227.352 0.442 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]C[C@H](C)CO)[C@@H](C)C1 ZINC000336669318 170035094 /nfs/dbraw/zinc/03/50/94/170035094.db2.gz XRCUVPHCXYVFII-DCAQKATOSA-N 2 2 200.326 0.545 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H](C)CO)[C@@H](C)C1 ZINC000336669318 170035096 /nfs/dbraw/zinc/03/50/96/170035096.db2.gz XRCUVPHCXYVFII-DCAQKATOSA-N 2 2 200.326 0.545 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CC[C@@H](O)COC)[C@@H](C)C1 ZINC000309645108 170035383 /nfs/dbraw/zinc/03/53/83/170035383.db2.gz LZXIPAGUTOIFTJ-TUAOUCFPSA-N 2 2 230.352 0.314 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CC(=O)N(C)C2)[C@@H](C)C1 ZINC000336777320 170037422 /nfs/dbraw/zinc/03/74/22/170037422.db2.gz IDHNXAFMTCVCFG-AXFHLTTASA-N 2 2 225.336 0.147 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CC(=O)N(C)C2)[C@@H](C)C1 ZINC000336777320 170037423 /nfs/dbraw/zinc/03/74/23/170037423.db2.gz IDHNXAFMTCVCFG-AXFHLTTASA-N 2 2 225.336 0.147 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+][C@H](CCOC)COC)[C@@H](C)C1 ZINC000353638655 170037534 /nfs/dbraw/zinc/03/75/34/170037534.db2.gz BPDKBCPTHLBRPM-XQQFMLRXSA-N 2 2 244.379 0.968 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+][C@H](CCOC)COC)[C@@H](C)C1 ZINC000353638655 170037536 /nfs/dbraw/zinc/03/75/36/170037536.db2.gz BPDKBCPTHLBRPM-XQQFMLRXSA-N 2 2 244.379 0.968 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@]2(O)CCSC2)C1 ZINC000309900891 170038008 /nfs/dbraw/zinc/03/80/08/170038008.db2.gz HPAYVWNJNUVBQJ-TUAOUCFPSA-N 2 2 244.404 0.784 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@]2(O)CCSC2)C1 ZINC000309900891 170038010 /nfs/dbraw/zinc/03/80/10/170038010.db2.gz HPAYVWNJNUVBQJ-TUAOUCFPSA-N 2 2 244.404 0.784 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC(=O)NC2)C1 ZINC000309929026 170038032 /nfs/dbraw/zinc/03/80/32/170038032.db2.gz WYNKKARYLCQAFU-HBNTYKKESA-N 2 2 225.336 0.195 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC(=O)NC2)C1 ZINC000309929026 170038034 /nfs/dbraw/zinc/03/80/34/170038034.db2.gz WYNKKARYLCQAFU-HBNTYKKESA-N 2 2 225.336 0.195 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](O)C(C)C)C1 ZINC000336758391 170038462 /nfs/dbraw/zinc/03/84/62/170038462.db2.gz JTKFEROCVBVBFO-QJPTWQEYSA-N 2 2 214.353 0.933 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](O)C(C)C)C1 ZINC000336758391 170038464 /nfs/dbraw/zinc/03/84/64/170038464.db2.gz JTKFEROCVBVBFO-QJPTWQEYSA-N 2 2 214.353 0.933 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](COC)OC)C1 ZINC000336671962 170038529 /nfs/dbraw/zinc/03/85/29/170038529.db2.gz ABTVKSRNWSGJSS-QJPTWQEYSA-N 2 2 230.352 0.578 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](COC)OC)C1 ZINC000336671962 170038530 /nfs/dbraw/zinc/03/85/30/170038530.db2.gz ABTVKSRNWSGJSS-QJPTWQEYSA-N 2 2 230.352 0.578 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCOCCOC)C1 ZINC000309467871 170038726 /nfs/dbraw/zinc/03/87/26/170038726.db2.gz PYTPWMPMZKECPH-NWDGAFQWSA-N 2 2 230.352 0.579 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCOCCOC)C1 ZINC000309467871 170038727 /nfs/dbraw/zinc/03/87/27/170038727.db2.gz PYTPWMPMZKECPH-NWDGAFQWSA-N 2 2 230.352 0.579 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC(=O)NC2)C1 ZINC000309929025 170039445 /nfs/dbraw/zinc/03/94/45/170039445.db2.gz WYNKKARYLCQAFU-GARJFASQSA-N 2 2 225.336 0.195 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC(=O)NC2)C1 ZINC000309929025 170039446 /nfs/dbraw/zinc/03/94/46/170039446.db2.gz WYNKKARYLCQAFU-GARJFASQSA-N 2 2 225.336 0.195 20 0 BCADLP NC(=O)[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657501791 411537207 /nfs/dbraw/zinc/53/72/07/411537207.db2.gz ZMWCUCYWJJORLN-DTORHVGOSA-N 2 2 234.303 0.183 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC=CCC1 ZINC000660224190 411555735 /nfs/dbraw/zinc/55/57/35/411555735.db2.gz JZWPFVLLCFNKQP-GFCCVEGCSA-N 2 2 212.337 0.949 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC=CCC1 ZINC000660224190 411555737 /nfs/dbraw/zinc/55/57/37/411555737.db2.gz JZWPFVLLCFNKQP-GFCCVEGCSA-N 2 2 212.337 0.949 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC=CCC1 ZINC000660224190 411555739 /nfs/dbraw/zinc/55/57/39/411555739.db2.gz JZWPFVLLCFNKQP-GFCCVEGCSA-N 2 2 212.337 0.949 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC=CCC1 ZINC000660224190 411555741 /nfs/dbraw/zinc/55/57/41/411555741.db2.gz JZWPFVLLCFNKQP-GFCCVEGCSA-N 2 2 212.337 0.949 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC=CCC1 ZINC000660224191 411555782 /nfs/dbraw/zinc/55/57/82/411555782.db2.gz JZWPFVLLCFNKQP-LBPRGKRZSA-N 2 2 212.337 0.949 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC=CCC1 ZINC000660224191 411555784 /nfs/dbraw/zinc/55/57/84/411555784.db2.gz JZWPFVLLCFNKQP-LBPRGKRZSA-N 2 2 212.337 0.949 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC=CCC1 ZINC000660224191 411555786 /nfs/dbraw/zinc/55/57/86/411555786.db2.gz JZWPFVLLCFNKQP-LBPRGKRZSA-N 2 2 212.337 0.949 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC=CCC1 ZINC000660224191 411555787 /nfs/dbraw/zinc/55/57/87/411555787.db2.gz JZWPFVLLCFNKQP-LBPRGKRZSA-N 2 2 212.337 0.949 20 0 BCADLP CC[NH2+][C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC000358942164 170157535 /nfs/dbraw/zinc/15/75/35/170157535.db2.gz MRFAEGNVNMFFFA-SNVBAGLBSA-N 2 2 224.308 0.387 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)[C@H]1CCOC1 ZINC000657541056 411546666 /nfs/dbraw/zinc/54/66/66/411546666.db2.gz JKCAZCBFJLPNDQ-WUHRBBMRSA-N 2 2 242.363 0.578 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)[C@H]1CCOC1 ZINC000657541056 411546667 /nfs/dbraw/zinc/54/66/67/411546667.db2.gz JKCAZCBFJLPNDQ-WUHRBBMRSA-N 2 2 242.363 0.578 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)[C@@H]1CCOC1 ZINC000657541047 411546673 /nfs/dbraw/zinc/54/66/73/411546673.db2.gz JKCAZCBFJLPNDQ-FDYHWXHSSA-N 2 2 242.363 0.578 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)[C@@H]1CCOC1 ZINC000657541047 411546674 /nfs/dbraw/zinc/54/66/74/411546674.db2.gz JKCAZCBFJLPNDQ-FDYHWXHSSA-N 2 2 242.363 0.578 20 0 BCADLP COC[C@H](CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C)OC ZINC000657555271 411549669 /nfs/dbraw/zinc/54/96/69/411549669.db2.gz UHYQBUHGHBFDGW-WOPDTQHZSA-N 2 2 230.352 0.578 20 0 BCADLP COC[C@H](CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)OC ZINC000657555271 411549670 /nfs/dbraw/zinc/54/96/70/411549670.db2.gz UHYQBUHGHBFDGW-WOPDTQHZSA-N 2 2 230.352 0.578 20 0 BCADLP CCOC(=O)CC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000042430269 170205695 /nfs/dbraw/zinc/20/56/95/170205695.db2.gz RTRAFOQQJBBSFB-SECBINFHSA-N 2 2 200.282 0.363 20 0 BCADLP CCOC(=O)CC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000042430269 170205697 /nfs/dbraw/zinc/20/56/97/170205697.db2.gz RTRAFOQQJBBSFB-SECBINFHSA-N 2 2 200.282 0.363 20 0 BCADLP CCOC(=O)CC[N@@H+]1CCC[NH2+]CC1 ZINC000042417102 170206004 /nfs/dbraw/zinc/20/60/04/170206004.db2.gz XJFUWQRMBQKOKT-UHFFFAOYSA-N 2 2 200.282 0.235 20 0 BCADLP CCOC(=O)CC[N@H+]1CCC[NH2+]CC1 ZINC000042417102 170206006 /nfs/dbraw/zinc/20/60/06/170206006.db2.gz XJFUWQRMBQKOKT-UHFFFAOYSA-N 2 2 200.282 0.235 20 0 BCADLP CCOC(=O)C[N@H+](C)CCn1cc[nH+]c1C ZINC000050066518 170214433 /nfs/dbraw/zinc/21/44/33/170214433.db2.gz SZSQCWPDFOVTFT-UHFFFAOYSA-N 2 2 225.292 0.686 20 0 BCADLP CCOC(=O)C[N@@H+](C)CCn1cc[nH+]c1C ZINC000050066518 170214434 /nfs/dbraw/zinc/21/44/34/170214434.db2.gz SZSQCWPDFOVTFT-UHFFFAOYSA-N 2 2 225.292 0.686 20 0 BCADLP CCOC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000050066511 170214502 /nfs/dbraw/zinc/21/45/02/170214502.db2.gz NTYNFPJCYTXQIO-UHFFFAOYSA-N 2 2 225.292 0.768 20 0 BCADLP CCOC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000050066511 170214503 /nfs/dbraw/zinc/21/45/03/170214503.db2.gz NTYNFPJCYTXQIO-UHFFFAOYSA-N 2 2 225.292 0.768 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C/C=C/CO)C[N@@H+]1C1CC1 ZINC000657592181 411556823 /nfs/dbraw/zinc/55/68/23/411556823.db2.gz FEMXAJBFBKAPSB-WUNPDAOYSA-N 2 2 210.321 0.750 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C/C=C/CO)C[N@H+]1C1CC1 ZINC000657592181 411556825 /nfs/dbraw/zinc/55/68/25/411556825.db2.gz FEMXAJBFBKAPSB-WUNPDAOYSA-N 2 2 210.321 0.750 20 0 BCADLP CCOC(=O)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000077388411 170239819 /nfs/dbraw/zinc/23/98/19/170239819.db2.gz OSQFVNRWBDEMDE-NSHDSACASA-N 2 2 241.335 0.370 20 0 BCADLP OC/C=C\C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000657593575 411559160 /nfs/dbraw/zinc/55/91/60/411559160.db2.gz VLYHXJZHVGENOZ-UPHRSURJSA-N 2 2 217.272 0.972 20 0 BCADLP CCOCCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336646895 170383187 /nfs/dbraw/zinc/38/31/87/170383187.db2.gz DILVSPICPKGJDC-MNOVXSKESA-N 2 2 200.326 0.953 20 0 BCADLP CCOCCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336646895 170383189 /nfs/dbraw/zinc/38/31/89/170383189.db2.gz DILVSPICPKGJDC-MNOVXSKESA-N 2 2 200.326 0.953 20 0 BCADLP CCOCC[N@H+](C)Cc1c[nH+]c(N(C)C)n1C ZINC000362282297 170389879 /nfs/dbraw/zinc/38/98/79/170389879.db2.gz GENAJXMFNXJNPJ-UHFFFAOYSA-N 2 2 240.351 0.954 20 0 BCADLP CCOCC[N@@H+](C)Cc1c[nH+]c(N(C)C)n1C ZINC000362282297 170389880 /nfs/dbraw/zinc/38/98/80/170389880.db2.gz GENAJXMFNXJNPJ-UHFFFAOYSA-N 2 2 240.351 0.954 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C[C@H]1CS2 ZINC000660779950 411629442 /nfs/dbraw/zinc/62/94/42/411629442.db2.gz KPGPNMWKKXXINJ-TUAOUCFPSA-N 2 2 244.404 0.877 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C[C@H]1CS2 ZINC000660779950 411629444 /nfs/dbraw/zinc/62/94/44/411629444.db2.gz KPGPNMWKKXXINJ-TUAOUCFPSA-N 2 2 244.404 0.877 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000660779950 411629446 /nfs/dbraw/zinc/62/94/46/411629446.db2.gz KPGPNMWKKXXINJ-TUAOUCFPSA-N 2 2 244.404 0.877 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000660779950 411629449 /nfs/dbraw/zinc/62/94/49/411629449.db2.gz KPGPNMWKKXXINJ-TUAOUCFPSA-N 2 2 244.404 0.877 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]CCOCCF)n1C ZINC000663340537 411631430 /nfs/dbraw/zinc/63/14/30/411631430.db2.gz FZECHTUQPKDPRH-UHFFFAOYSA-N 2 2 244.314 0.562 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CCNc2cnccn2)[C@@H](C)C1 ZINC000344634845 411634882 /nfs/dbraw/zinc/63/48/82/411634882.db2.gz CUOFORUMXSITGN-RYUDHWBXSA-N 2 2 249.362 0.818 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]CCNc2cnccn2)[C@@H](C)C1 ZINC000344634845 411634887 /nfs/dbraw/zinc/63/48/87/411634887.db2.gz CUOFORUMXSITGN-RYUDHWBXSA-N 2 2 249.362 0.818 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCNc2cnccn2)C1 ZINC000344634844 411636525 /nfs/dbraw/zinc/63/65/25/411636525.db2.gz CUOFORUMXSITGN-NWDGAFQWSA-N 2 2 249.362 0.818 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCNc2cnccn2)C1 ZINC000344634844 411636530 /nfs/dbraw/zinc/63/65/30/411636530.db2.gz CUOFORUMXSITGN-NWDGAFQWSA-N 2 2 249.362 0.818 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)CCOCC)C1 ZINC000663367040 411639355 /nfs/dbraw/zinc/63/93/55/411639355.db2.gz ZPVFVPHZTKJNIY-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)CCOCC)C1 ZINC000663367040 411639365 /nfs/dbraw/zinc/63/93/65/411639365.db2.gz ZPVFVPHZTKJNIY-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP C[C@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@H]1O ZINC000314051251 411580495 /nfs/dbraw/zinc/58/04/95/411580495.db2.gz UELTVEOYJVEDCH-CMPLNLGQSA-N 2 2 223.320 0.665 20 0 BCADLP C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@H]1O ZINC000314051251 411580496 /nfs/dbraw/zinc/58/04/96/411580496.db2.gz UELTVEOYJVEDCH-CMPLNLGQSA-N 2 2 223.320 0.665 20 0 BCADLP C[C@@H](C[NH2+][C@@H]1CCCNC(=O)C1)[N@H+](C)C1CC1 ZINC000217952388 411588900 /nfs/dbraw/zinc/58/89/00/411588900.db2.gz WZXHQPFQWOLBIO-WDEREUQCSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@@H](C[NH2+][C@@H]1CCCNC(=O)C1)[N@@H+](C)C1CC1 ZINC000217952388 411588901 /nfs/dbraw/zinc/58/89/01/411588901.db2.gz WZXHQPFQWOLBIO-WDEREUQCSA-N 2 2 239.363 0.727 20 0 BCADLP OCCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660469272 411590505 /nfs/dbraw/zinc/59/05/05/411590505.db2.gz PLPISRAJKKGGAU-ZDUSSCGKSA-N 2 2 242.363 0.556 20 0 BCADLP OCCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660469272 411590506 /nfs/dbraw/zinc/59/05/06/411590506.db2.gz PLPISRAJKKGGAU-ZDUSSCGKSA-N 2 2 242.363 0.556 20 0 BCADLP CO[C@@]1(C)C[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000657789229 411596584 /nfs/dbraw/zinc/59/65/84/411596584.db2.gz CURTVNQSWXQIEB-PWSUYJOCSA-N 2 2 238.335 0.753 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](O)C2)C[N@@H+]1C1CC1 ZINC000657809205 411601403 /nfs/dbraw/zinc/60/14/03/411601403.db2.gz HODLAJCFWXTTLG-DNRKLUKYSA-N 2 2 210.321 0.725 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](O)C2)C[N@H+]1C1CC1 ZINC000657809205 411601404 /nfs/dbraw/zinc/60/14/04/411601404.db2.gz HODLAJCFWXTTLG-DNRKLUKYSA-N 2 2 210.321 0.725 20 0 BCADLP Cn1cc(CC[N@@H+]2CCn3c[nH+]cc3C2)cn1 ZINC000660579984 411603197 /nfs/dbraw/zinc/60/31/97/411603197.db2.gz ZOIBCSJWINPFDP-UHFFFAOYSA-N 2 2 231.303 0.675 20 0 BCADLP Cn1cc(CC[N@H+]2CCn3c[nH+]cc3C2)cn1 ZINC000660579984 411603198 /nfs/dbraw/zinc/60/31/98/411603198.db2.gz ZOIBCSJWINPFDP-UHFFFAOYSA-N 2 2 231.303 0.675 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660661186 411614012 /nfs/dbraw/zinc/61/40/12/411614012.db2.gz ZBORXVNXWOBIIB-WCQYABFASA-N 2 2 239.363 0.668 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660661186 411614014 /nfs/dbraw/zinc/61/40/14/411614014.db2.gz ZBORXVNXWOBIIB-WCQYABFASA-N 2 2 239.363 0.668 20 0 BCADLP CC[C@@H](C(N)=O)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660661186 411614015 /nfs/dbraw/zinc/61/40/15/411614015.db2.gz ZBORXVNXWOBIIB-WCQYABFASA-N 2 2 239.363 0.668 20 0 BCADLP CC[C@@H](C(N)=O)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660661186 411614017 /nfs/dbraw/zinc/61/40/17/411614017.db2.gz ZBORXVNXWOBIIB-WCQYABFASA-N 2 2 239.363 0.668 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660661185 411614338 /nfs/dbraw/zinc/61/43/38/411614338.db2.gz ZBORXVNXWOBIIB-DGCLKSJQSA-N 2 2 239.363 0.668 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660661185 411614340 /nfs/dbraw/zinc/61/43/40/411614340.db2.gz ZBORXVNXWOBIIB-DGCLKSJQSA-N 2 2 239.363 0.668 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660661185 411614341 /nfs/dbraw/zinc/61/43/41/411614341.db2.gz ZBORXVNXWOBIIB-DGCLKSJQSA-N 2 2 239.363 0.668 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660661185 411614342 /nfs/dbraw/zinc/61/43/42/411614342.db2.gz ZBORXVNXWOBIIB-DGCLKSJQSA-N 2 2 239.363 0.668 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCn2nccc21 ZINC000657876517 411614753 /nfs/dbraw/zinc/61/47/53/411614753.db2.gz XLDDVCQMNIJSCB-GHMZBOCLSA-N 2 2 238.335 0.230 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657874829 411615096 /nfs/dbraw/zinc/61/50/96/411615096.db2.gz BGICNJPKFIFGBZ-WDEREUQCSA-N 2 2 228.336 0.210 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660657731 411615334 /nfs/dbraw/zinc/61/53/34/411615334.db2.gz ZUDVJPVNWMYGHF-PWSUYJOCSA-N 2 2 225.336 0.278 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660657731 411615336 /nfs/dbraw/zinc/61/53/36/411615336.db2.gz ZUDVJPVNWMYGHF-PWSUYJOCSA-N 2 2 225.336 0.278 20 0 BCADLP C[C@H](C(N)=O)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660657731 411615337 /nfs/dbraw/zinc/61/53/37/411615337.db2.gz ZUDVJPVNWMYGHF-PWSUYJOCSA-N 2 2 225.336 0.278 20 0 BCADLP C[C@H](C(N)=O)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660657731 411615339 /nfs/dbraw/zinc/61/53/39/411615339.db2.gz ZUDVJPVNWMYGHF-PWSUYJOCSA-N 2 2 225.336 0.278 20 0 BCADLP COCC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660691189 411617724 /nfs/dbraw/zinc/61/77/24/411617724.db2.gz AYDJBJVBYGWXSZ-UHFFFAOYSA-N 2 2 244.379 0.705 20 0 BCADLP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000086727404 487536427 /nfs/dbraw/zinc/53/64/27/487536427.db2.gz OGXOQEVNORAPSW-KOLCDFICSA-N 2 2 220.320 0.749 20 0 BCADLP Cc1cc(NC[C@@H]2CSCC[NH2+]2)nc[nH+]1 ZINC000641687644 411651140 /nfs/dbraw/zinc/65/11/40/411651140.db2.gz REQABWZLOFHBCT-SECBINFHSA-N 2 2 224.333 0.902 20 0 BCADLP C([N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663493064 411671865 /nfs/dbraw/zinc/67/18/65/411671865.db2.gz FGZUUDNOGLUZTJ-NDBYEHHHSA-N 3 2 221.348 0.280 20 0 BCADLP C([N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663493064 411671868 /nfs/dbraw/zinc/67/18/68/411671868.db2.gz FGZUUDNOGLUZTJ-NDBYEHHHSA-N 3 2 221.348 0.280 20 0 BCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@]12C[C@H]1C[NH2+]C2 ZINC000663493687 411673146 /nfs/dbraw/zinc/67/31/46/411673146.db2.gz CXRCHFXTWULXPF-YNEHKIRRSA-N 3 2 225.380 0.901 20 0 BCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@]12C[C@H]1C[NH2+]C2 ZINC000663493687 411673150 /nfs/dbraw/zinc/67/31/50/411673150.db2.gz CXRCHFXTWULXPF-YNEHKIRRSA-N 3 2 225.380 0.901 20 0 BCADLP C[C@@H](C[NH3+])C[NH2+]Cc1nc2c(s1)C[NH2+]CC2 ZINC000663497382 411679065 /nfs/dbraw/zinc/67/90/65/411679065.db2.gz NFCQLRNOKZSDEK-QMMMGPOBSA-N 3 2 240.376 0.473 20 0 BCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663499073 411681328 /nfs/dbraw/zinc/68/13/28/411681328.db2.gz WJKXZQNZMUPFRM-KPPDAEKUSA-N 2 2 246.376 0.151 20 0 BCADLP Cc1nn(C)cc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663499029 411681672 /nfs/dbraw/zinc/68/16/72/411681672.db2.gz VLAXGJGUVBTIAO-UHFFFAOYSA-N 2 2 220.320 0.570 20 0 BCADLP COc1c(N)[nH+]cnc1NCC[N@H+]1CC=CCC1 ZINC000577410965 411683125 /nfs/dbraw/zinc/68/31/25/411683125.db2.gz GEBYAFGIGMRLED-UHFFFAOYSA-N 2 2 249.318 0.741 20 0 BCADLP COc1c(N)[nH+]cnc1NCC[N@@H+]1CC=CCC1 ZINC000577410965 411683129 /nfs/dbraw/zinc/68/31/29/411683129.db2.gz GEBYAFGIGMRLED-UHFFFAOYSA-N 2 2 249.318 0.741 20 0 BCADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000663501300 411686469 /nfs/dbraw/zinc/68/64/69/411686469.db2.gz UYFCWMNPXDBBNT-QCXCNERSSA-N 3 2 223.364 0.716 20 0 BCADLP C([C@H]1CCSC1)[N@@H+]1CCOC2(C[NH2+]C2)C1 ZINC000663510570 411693483 /nfs/dbraw/zinc/69/34/83/411693483.db2.gz PXTVWRKBDTURMT-SNVBAGLBSA-N 2 2 228.361 0.414 20 0 BCADLP C([C@H]1CCSC1)[N@H+]1CCOC2(C[NH2+]C2)C1 ZINC000663510570 411693488 /nfs/dbraw/zinc/69/34/88/411693488.db2.gz PXTVWRKBDTURMT-SNVBAGLBSA-N 2 2 228.361 0.414 20 0 BCADLP C[C@@H]1C[C@@H](C[N@@H+]2CCOC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC000663512198 411694153 /nfs/dbraw/zinc/69/41/53/411694153.db2.gz ZIXSLUQNCIPQTA-NEPJUHHUSA-N 3 2 239.363 0.049 20 0 BCADLP C[C@@H]1C[C@@H](C[N@H+]2CCOC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC000663512198 411694155 /nfs/dbraw/zinc/69/41/55/411694155.db2.gz ZIXSLUQNCIPQTA-NEPJUHHUSA-N 3 2 239.363 0.049 20 0 BCADLP CCn1cc[nH+]c1CN1CCOC2(C[NH2+]C2)C1 ZINC000663513563 411694170 /nfs/dbraw/zinc/69/41/70/411694170.db2.gz VBZOSVHWDUBLAW-UHFFFAOYSA-N 2 2 236.319 0.077 20 0 BCADLP O[C@H]1CC[N@H+](CCNc2[nH+]cnc3[nH]ccc32)C1 ZINC000624775571 411697975 /nfs/dbraw/zinc/69/79/75/411697975.db2.gz ZQPSGTQFRGPAEU-VIFPVBQESA-N 2 2 247.302 0.436 20 0 BCADLP O[C@H]1CC[N@@H+](CCNc2[nH+]cnc3[nH]ccc32)C1 ZINC000624775571 411697977 /nfs/dbraw/zinc/69/79/77/411697977.db2.gz ZQPSGTQFRGPAEU-VIFPVBQESA-N 2 2 247.302 0.436 20 0 BCADLP c1cc(NC[C@H]2COCC[NH2+]2)nc(C2CC2)[nH+]1 ZINC000630533081 411702037 /nfs/dbraw/zinc/70/20/37/411702037.db2.gz QGNRHDPBGSSTRX-JTQLQIEISA-N 2 2 234.303 0.754 20 0 BCADLP OC[C@@H]([NH2+]CCn1cc[nH+]c1)C1CCC1 ZINC000661151924 411720826 /nfs/dbraw/zinc/72/08/26/411720826.db2.gz SBUUYBSIOCOJPY-LLVKDONJSA-N 2 2 209.293 0.634 20 0 BCADLP CC[C@@H](C(=O)NCc1[nH]cc[nH+]1)[NH+](C)C ZINC000125375617 170664836 /nfs/dbraw/zinc/66/48/36/170664836.db2.gz GOLVKTACEMJAKG-QMMMGPOBSA-N 2 2 210.281 0.366 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)C[C@H]1COCCO1 ZINC000661612303 411816782 /nfs/dbraw/zinc/81/67/82/411816782.db2.gz QISSAWHPCRITKQ-NSHDSACASA-N 2 2 225.292 0.230 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)C[C@H]1COCCO1 ZINC000661612303 411816786 /nfs/dbraw/zinc/81/67/86/411816786.db2.gz QISSAWHPCRITKQ-NSHDSACASA-N 2 2 225.292 0.230 20 0 BCADLP CC(C)([NH3+])CCC(=O)Nc1ccc(N)[nH+]c1 ZINC000647755724 411866420 /nfs/dbraw/zinc/86/64/20/411866420.db2.gz CLBCDFGASQKPAN-UHFFFAOYSA-N 2 2 222.292 1.120 20 0 BCADLP C[C@@H]([NH2+]CCNc1cnccn1)[C@H]1CCCC[NH2+]1 ZINC000576861376 411830429 /nfs/dbraw/zinc/83/04/29/411830429.db2.gz CKUHYAMPLMKSPE-VXGBXAGGSA-N 2 2 249.362 1.009 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CC1=CCCOC1 ZINC000661654527 411831547 /nfs/dbraw/zinc/83/15/47/411831547.db2.gz ZSKGLHXOGGFDSJ-CYBMUJFWSA-N 2 2 242.363 0.578 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CC1=CCCOC1 ZINC000661654527 411831553 /nfs/dbraw/zinc/83/15/53/411831553.db2.gz ZSKGLHXOGGFDSJ-CYBMUJFWSA-N 2 2 242.363 0.578 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CC1=CCCOC1 ZINC000661654527 411831555 /nfs/dbraw/zinc/83/15/55/411831555.db2.gz ZSKGLHXOGGFDSJ-CYBMUJFWSA-N 2 2 242.363 0.578 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CC1=CCCOC1 ZINC000661654527 411831560 /nfs/dbraw/zinc/83/15/60/411831560.db2.gz ZSKGLHXOGGFDSJ-CYBMUJFWSA-N 2 2 242.363 0.578 20 0 BCADLP CC[NH+](CC)CCCNc1nc(C)[nH+]c(N)n1 ZINC000379840351 411852476 /nfs/dbraw/zinc/85/24/76/411852476.db2.gz BOBDVJTWQIJKNR-UHFFFAOYSA-N 2 2 238.339 0.328 20 0 BCADLP CC[NH+](CC)CCCNc1nc(N)nc(C)[nH+]1 ZINC000379840351 411852480 /nfs/dbraw/zinc/85/24/80/411852480.db2.gz BOBDVJTWQIJKNR-UHFFFAOYSA-N 2 2 238.339 0.328 20 0 BCADLP CC[NH2+][C@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000637828660 411859848 /nfs/dbraw/zinc/85/98/48/411859848.db2.gz UDDZRDTZVUAWPH-SSDOTTSWSA-N 2 2 208.265 0.600 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cn(C)nn1 ZINC000661743348 411860223 /nfs/dbraw/zinc/86/02/23/411860223.db2.gz GNCSUMQDCZFJFV-UHFFFAOYSA-N 2 2 234.307 0.452 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+](C)Cc1cn(C)nn1 ZINC000661743348 411860226 /nfs/dbraw/zinc/86/02/26/411860226.db2.gz GNCSUMQDCZFJFV-UHFFFAOYSA-N 2 2 234.307 0.452 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723896 411860530 /nfs/dbraw/zinc/86/05/30/411860530.db2.gz XUXLHNAXQQFIHH-CMPLNLGQSA-N 2 2 221.304 0.419 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723896 411860533 /nfs/dbraw/zinc/86/05/33/411860533.db2.gz XUXLHNAXQQFIHH-CMPLNLGQSA-N 2 2 221.304 0.419 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N)nc1 ZINC000647547751 411890430 /nfs/dbraw/zinc/89/04/30/411890430.db2.gz BXFDTVPGQRHBTP-JTQLQIEISA-N 2 2 220.320 0.894 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000661825837 411892883 /nfs/dbraw/zinc/89/28/83/411892883.db2.gz GKJMJCOHALQZNY-WOPDTQHZSA-N 2 2 224.348 0.974 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000661825837 411892887 /nfs/dbraw/zinc/89/28/87/411892887.db2.gz GKJMJCOHALQZNY-WOPDTQHZSA-N 2 2 224.348 0.974 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661853532 411902960 /nfs/dbraw/zinc/90/29/60/411902960.db2.gz UFCHJNLYUSLZIJ-FRRDWIJNSA-N 2 2 244.379 0.798 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661853532 411902964 /nfs/dbraw/zinc/90/29/64/411902964.db2.gz UFCHJNLYUSLZIJ-FRRDWIJNSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661853532 411902968 /nfs/dbraw/zinc/90/29/68/411902968.db2.gz UFCHJNLYUSLZIJ-FRRDWIJNSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661853532 411902970 /nfs/dbraw/zinc/90/29/70/411902970.db2.gz UFCHJNLYUSLZIJ-FRRDWIJNSA-N 2 2 244.379 0.798 20 0 BCADLP CCCC[C@H]([NH3+])C(=O)Nc1ccc(N)[nH+]c1 ZINC000442710925 411907180 /nfs/dbraw/zinc/90/71/80/411907180.db2.gz CYICXQFPAXSZCJ-VIFPVBQESA-N 2 2 222.292 1.120 20 0 BCADLP C[NH+](C)CC1(C(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000637830312 411909753 /nfs/dbraw/zinc/90/97/53/411909753.db2.gz UOVFMCZMNLUGDV-UHFFFAOYSA-N 2 2 234.303 0.944 20 0 BCADLP CCC[NH2+][C@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000449108663 411912736 /nfs/dbraw/zinc/91/27/36/411912736.db2.gz VLAUAMCQQJITTL-MRVPVSSYSA-N 2 2 222.292 0.990 20 0 BCADLP Nc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccn1 ZINC000564986169 411939799 /nfs/dbraw/zinc/93/97/99/411939799.db2.gz HHFKFAMVFVSPJL-NWDGAFQWSA-N 2 2 232.331 0.848 20 0 BCADLP Nc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccn1 ZINC000564986169 411939803 /nfs/dbraw/zinc/93/98/03/411939803.db2.gz HHFKFAMVFVSPJL-NWDGAFQWSA-N 2 2 232.331 0.848 20 0 BCADLP Nc1cc(CN2CCC[C@H]([NH3+])C2)cc[nH+]1 ZINC000647813503 411940766 /nfs/dbraw/zinc/94/07/66/411940766.db2.gz YYWBLINZBCNCQS-JTQLQIEISA-N 2 2 206.293 0.587 20 0 BCADLP Nc1cc(CN2CC[NH2+]C[C@@H]2C(F)F)cc[nH+]1 ZINC000516867696 411941294 /nfs/dbraw/zinc/94/12/94/411941294.db2.gz MBCKUXZNQXAICP-SECBINFHSA-N 2 2 242.273 0.703 20 0 BCADLP Nc1cc(CN2CC[NH2+]C[C@H]2C(F)F)cc[nH+]1 ZINC000516867697 411941309 /nfs/dbraw/zinc/94/13/09/411941309.db2.gz MBCKUXZNQXAICP-VIFPVBQESA-N 2 2 242.273 0.703 20 0 BCADLP C[C@@H](O)[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000661768873 411881516 /nfs/dbraw/zinc/88/15/16/411881516.db2.gz ZAICVIWABOWAMY-GHMZBOCLSA-N 2 2 209.293 0.728 20 0 BCADLP C[C@@H](O)[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000661768873 411881520 /nfs/dbraw/zinc/88/15/20/411881520.db2.gz ZAICVIWABOWAMY-GHMZBOCLSA-N 2 2 209.293 0.728 20 0 BCADLP Cc1nc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000631157952 411969777 /nfs/dbraw/zinc/96/97/77/411969777.db2.gz VFEJTZUZCROFFU-VXNVDRBHSA-N 2 2 248.334 0.799 20 0 BCADLP Cc1nc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000631157952 411969783 /nfs/dbraw/zinc/96/97/83/411969783.db2.gz VFEJTZUZCROFFU-VXNVDRBHSA-N 2 2 248.334 0.799 20 0 BCADLP C[N@H+](CCC[NH3+])Cc1nc(N)c2ccccc2n1 ZINC000133815253 411970669 /nfs/dbraw/zinc/97/06/69/411970669.db2.gz YTEWATHAHPMWHO-UHFFFAOYSA-N 2 2 245.330 0.993 20 0 BCADLP C[N@@H+](CCC[NH3+])Cc1nc(N)c2ccccc2n1 ZINC000133815253 411970675 /nfs/dbraw/zinc/97/06/75/411970675.db2.gz YTEWATHAHPMWHO-UHFFFAOYSA-N 2 2 245.330 0.993 20 0 BCADLP Cc1nc(N)c(CNC(=O)/C=C\C[NH+](C)C)c[nH+]1 ZINC000493452190 411980381 /nfs/dbraw/zinc/98/03/81/411980381.db2.gz KMFXHVIVXVIADI-PLNGDYQASA-N 2 2 249.318 0.101 20 0 BCADLP Cc1nc(N)c(CNC(=O)C2([NH+](C)C)CC2)c[nH+]1 ZINC000614738926 411985506 /nfs/dbraw/zinc/98/55/06/411985506.db2.gz DQIRKFSLIQWWPQ-UHFFFAOYSA-N 2 2 249.318 0.078 20 0 BCADLP Nc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000647542402 411954088 /nfs/dbraw/zinc/95/40/88/411954088.db2.gz CAUBOKJYEXHDLE-NEPJUHHUSA-N 2 2 232.331 0.848 20 0 BCADLP Nc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000647542402 411954094 /nfs/dbraw/zinc/95/40/94/411954094.db2.gz CAUBOKJYEXHDLE-NEPJUHHUSA-N 2 2 232.331 0.848 20 0 BCADLP CCN1CC[C@H]([N@@H+]2CCC[C@@H](C[NH2+]C)C2)C1=O ZINC000662238004 412034319 /nfs/dbraw/zinc/03/43/19/412034319.db2.gz MFDIILYHGHYEGT-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP CCN1CC[C@H]([N@H+]2CCC[C@@H](C[NH2+]C)C2)C1=O ZINC000662238004 412034325 /nfs/dbraw/zinc/03/43/25/412034325.db2.gz MFDIILYHGHYEGT-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP C[N@H+](CCO[C@H]1CC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000662245692 412040779 /nfs/dbraw/zinc/04/07/79/412040779.db2.gz NDUSYNTTYCZHGC-BDAKNGLRSA-N 2 2 220.263 0.704 20 0 BCADLP C[N@@H+](CCO[C@H]1CC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000662245692 412040781 /nfs/dbraw/zinc/04/07/81/412040781.db2.gz NDUSYNTTYCZHGC-BDAKNGLRSA-N 2 2 220.263 0.704 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)C[C@@H](C)O1 ZINC000662255277 412051878 /nfs/dbraw/zinc/05/18/78/412051878.db2.gz XFTRTTOELHKVAW-UTUOFQBUSA-N 2 2 228.336 0.474 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)C[C@@H](C)O1 ZINC000662255277 412051881 /nfs/dbraw/zinc/05/18/81/412051881.db2.gz XFTRTTOELHKVAW-UTUOFQBUSA-N 2 2 228.336 0.474 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000662259284 412054136 /nfs/dbraw/zinc/05/41/36/412054136.db2.gz UIDWIPAPUKWFPX-NWDGAFQWSA-N 2 2 226.320 0.087 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000662259284 412054139 /nfs/dbraw/zinc/05/41/39/412054139.db2.gz UIDWIPAPUKWFPX-NWDGAFQWSA-N 2 2 226.320 0.087 20 0 BCADLP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H](C[NH3+])C1CC1 ZINC000662272655 412063829 /nfs/dbraw/zinc/06/38/29/412063829.db2.gz HKNOYPGYDJQYOJ-VXGBXAGGSA-N 3 2 239.363 0.177 20 0 BCADLP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H](C[NH3+])C1CC1 ZINC000662272655 412063833 /nfs/dbraw/zinc/06/38/33/412063833.db2.gz HKNOYPGYDJQYOJ-VXGBXAGGSA-N 3 2 239.363 0.177 20 0 BCADLP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662273202 412065269 /nfs/dbraw/zinc/06/52/69/412065269.db2.gz MVYSXCMIHGZKLS-VXGBXAGGSA-N 3 2 227.352 0.178 20 0 BCADLP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662273202 412065275 /nfs/dbraw/zinc/06/52/75/412065275.db2.gz MVYSXCMIHGZKLS-VXGBXAGGSA-N 3 2 227.352 0.178 20 0 BCADLP [NH3+]CC[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662273755 412065380 /nfs/dbraw/zinc/06/53/80/412065380.db2.gz ZWGJNEINKKNYRM-NEPJUHHUSA-N 3 2 227.352 0.036 20 0 BCADLP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662273755 412065386 /nfs/dbraw/zinc/06/53/86/412065386.db2.gz ZWGJNEINKKNYRM-NEPJUHHUSA-N 3 2 227.352 0.036 20 0 BCADLP CCN1CC[C@H]([NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)C1=O ZINC000662276523 412069276 /nfs/dbraw/zinc/06/92/76/412069276.db2.gz JMHXJKJPLNHKIW-WHOHXGKFSA-N 2 2 239.363 0.583 20 0 BCADLP Cc1ccc(C[NH2+]C2(CO)CC[NH2+]CC2)nc1 ZINC000662285025 412076860 /nfs/dbraw/zinc/07/68/60/412076860.db2.gz UTGHQPZPIZTZJA-UHFFFAOYSA-N 2 2 235.331 0.594 20 0 BCADLP CC[C@@]1(C(=O)NCc2[nH+]ccn2C)CCC[NH2+]1 ZINC000122124297 171196481 /nfs/dbraw/zinc/19/64/81/171196481.db2.gz QKEAWZFODDVTCS-LBPRGKRZSA-N 2 2 236.319 0.569 20 0 BCADLP C[N@H+](CCc1nccs1)C[C@H]1C[NH2+]CCO1 ZINC000662281475 412072937 /nfs/dbraw/zinc/07/29/37/412072937.db2.gz XTIQOUKJOISNIH-SNVBAGLBSA-N 2 2 241.360 0.606 20 0 BCADLP C[N@@H+](CCc1nccs1)C[C@H]1C[NH2+]CCO1 ZINC000662281475 412072940 /nfs/dbraw/zinc/07/29/40/412072940.db2.gz XTIQOUKJOISNIH-SNVBAGLBSA-N 2 2 241.360 0.606 20 0 BCADLP C[C@@H](CO)C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662286199 412077991 /nfs/dbraw/zinc/07/79/91/412077991.db2.gz POSYFNIWRAQODS-AAEUAGOBSA-N 2 2 242.363 0.315 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)[C@@H]1CCCOC1 ZINC000662281727 412073721 /nfs/dbraw/zinc/07/37/21/412073721.db2.gz LJOSDBNKFWOVLD-TUAOUCFPSA-N 2 2 228.336 0.380 20 0 BCADLP CC[C@H](C(=O)OC)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368352213 171241594 /nfs/dbraw/zinc/24/15/94/171241594.db2.gz PJUONAXEPLBBDJ-YPMHNXCESA-N 2 2 240.347 0.966 20 0 BCADLP CC[C@H](C(=O)OC)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368352213 171241596 /nfs/dbraw/zinc/24/15/96/171241596.db2.gz PJUONAXEPLBBDJ-YPMHNXCESA-N 2 2 240.347 0.966 20 0 BCADLP CC[C@H](C(=O)OC)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368352213 171241597 /nfs/dbraw/zinc/24/15/97/171241597.db2.gz PJUONAXEPLBBDJ-YPMHNXCESA-N 2 2 240.347 0.966 20 0 BCADLP CC[C@H](C(=O)OC)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368352213 171241599 /nfs/dbraw/zinc/24/15/99/171241599.db2.gz PJUONAXEPLBBDJ-YPMHNXCESA-N 2 2 240.347 0.966 20 0 BCADLP CC[C@H](C(=O)OC)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368352211 171241785 /nfs/dbraw/zinc/24/17/85/171241785.db2.gz PJUONAXEPLBBDJ-DGCLKSJQSA-N 2 2 240.347 0.966 20 0 BCADLP CC[C@H](C(=O)OC)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368352211 171241786 /nfs/dbraw/zinc/24/17/86/171241786.db2.gz PJUONAXEPLBBDJ-DGCLKSJQSA-N 2 2 240.347 0.966 20 0 BCADLP CC[C@H](C(=O)OC)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368352211 171241787 /nfs/dbraw/zinc/24/17/87/171241787.db2.gz PJUONAXEPLBBDJ-DGCLKSJQSA-N 2 2 240.347 0.966 20 0 BCADLP CC[C@H](C(=O)OC)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368352211 171241788 /nfs/dbraw/zinc/24/17/88/171241788.db2.gz PJUONAXEPLBBDJ-DGCLKSJQSA-N 2 2 240.347 0.966 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266894570 171242473 /nfs/dbraw/zinc/24/24/73/171242473.db2.gz DXZBIPQQZQBSHQ-NXEZZACHSA-N 2 2 236.319 0.853 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266894570 171242475 /nfs/dbraw/zinc/24/24/75/171242475.db2.gz DXZBIPQQZQBSHQ-NXEZZACHSA-N 2 2 236.319 0.853 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000309386266 171244615 /nfs/dbraw/zinc/24/46/15/171244615.db2.gz SEOICCAIBVWAQN-ZYHUDNBSSA-N 2 2 225.336 0.278 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000309386266 171244616 /nfs/dbraw/zinc/24/46/16/171244616.db2.gz SEOICCAIBVWAQN-ZYHUDNBSSA-N 2 2 225.336 0.278 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000309386266 171244618 /nfs/dbraw/zinc/24/46/18/171244618.db2.gz SEOICCAIBVWAQN-ZYHUDNBSSA-N 2 2 225.336 0.278 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000309386266 171244620 /nfs/dbraw/zinc/24/46/20/171244620.db2.gz SEOICCAIBVWAQN-ZYHUDNBSSA-N 2 2 225.336 0.278 20 0 BCADLP Cc1ccc(C[NH2+]C2(CO)CC[NH2+]CC2)cn1 ZINC000662282920 412074894 /nfs/dbraw/zinc/07/48/94/412074894.db2.gz DLCNDMSUPRDAQH-UHFFFAOYSA-N 2 2 235.331 0.594 20 0 BCADLP C[N@H+](CCOCC(F)F)CC(C)(C)[NH3+] ZINC000662296197 412084382 /nfs/dbraw/zinc/08/43/82/412084382.db2.gz XOQJPTQGDIGNHM-UHFFFAOYSA-N 2 2 210.268 0.937 20 0 BCADLP C[N@@H+](CCOCC(F)F)CC(C)(C)[NH3+] ZINC000662296197 412084384 /nfs/dbraw/zinc/08/43/84/412084384.db2.gz XOQJPTQGDIGNHM-UHFFFAOYSA-N 2 2 210.268 0.937 20 0 BCADLP CCN1CC[C@H]([NH+]2CCC3(CC[NH2+]3)CC2)C1=O ZINC000662284698 412078270 /nfs/dbraw/zinc/07/82/70/412078270.db2.gz YSEQZRDUDZPOBB-NSHDSACASA-N 2 2 237.347 0.435 20 0 BCADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341691 171334359 /nfs/dbraw/zinc/33/43/59/171334359.db2.gz MQJSRYNZBJWTQO-RHYQMDGZSA-N 2 2 241.379 0.959 20 0 BCADLP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341691 171334360 /nfs/dbraw/zinc/33/43/60/171334360.db2.gz MQJSRYNZBJWTQO-RHYQMDGZSA-N 2 2 241.379 0.959 20 0 BCADLP CC(C)(C)CCC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662288274 412080281 /nfs/dbraw/zinc/08/02/81/412080281.db2.gz NKAADAZYTLNCAR-LLVKDONJSA-N 2 2 232.368 0.427 20 0 BCADLP CC(C)(C)CCC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662288274 412080284 /nfs/dbraw/zinc/08/02/84/412080284.db2.gz NKAADAZYTLNCAR-LLVKDONJSA-N 2 2 232.368 0.427 20 0 BCADLP C[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)[C@H]1CCO ZINC000662303276 412089734 /nfs/dbraw/zinc/08/97/34/412089734.db2.gz UVSXGUYNSHXIEF-AGIUHOORSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)[C@H]1CCO ZINC000662303276 412089738 /nfs/dbraw/zinc/08/97/38/412089738.db2.gz UVSXGUYNSHXIEF-AGIUHOORSA-N 2 2 242.363 0.458 20 0 BCADLP CC[C@@H]1C(=O)N(CC)CC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000662306597 412090125 /nfs/dbraw/zinc/09/01/25/412090125.db2.gz SCRIBWJMPVKZJE-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP CC[C@@H]1C(=O)N(CC)CC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000662306597 412090127 /nfs/dbraw/zinc/09/01/27/412090127.db2.gz SCRIBWJMPVKZJE-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP COC[C@@H](C[N@@H+]1CC2CC1(C[NH3+])C2)OC ZINC000662305264 412090869 /nfs/dbraw/zinc/09/08/69/412090869.db2.gz GGLPBRWYZDFPOM-HSOILSAZSA-N 2 2 214.309 0.071 20 0 BCADLP COC[C@@H](C[N@H+]1CC2CC1(C[NH3+])C2)OC ZINC000662305264 412090875 /nfs/dbraw/zinc/09/08/75/412090875.db2.gz GGLPBRWYZDFPOM-HSOILSAZSA-N 2 2 214.309 0.071 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662304744 412091901 /nfs/dbraw/zinc/09/19/01/412091901.db2.gz ASZNDNQCNULCSO-UHFFFAOYSA-N 2 2 225.336 0.278 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662304744 412091902 /nfs/dbraw/zinc/09/19/02/412091902.db2.gz ASZNDNQCNULCSO-UHFFFAOYSA-N 2 2 225.336 0.278 20 0 BCADLP CC[C@@H]1C(=O)N(CC)CC[N@H+]1CCC[NH2+]C ZINC000662306826 412092656 /nfs/dbraw/zinc/09/26/56/412092656.db2.gz UDLAQBHDVHKPHT-LLVKDONJSA-N 2 2 227.352 0.539 20 0 BCADLP CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CCC[NH2+]C ZINC000662306826 412092658 /nfs/dbraw/zinc/09/26/58/412092658.db2.gz UDLAQBHDVHKPHT-LLVKDONJSA-N 2 2 227.352 0.539 20 0 BCADLP CC[C@H]1C(=O)N(CC)CC[N@H+]1CCC[NH2+]C ZINC000662306827 412092742 /nfs/dbraw/zinc/09/27/42/412092742.db2.gz UDLAQBHDVHKPHT-NSHDSACASA-N 2 2 227.352 0.539 20 0 BCADLP CC[C@H]1C(=O)N(CC)CC[N@@H+]1CCC[NH2+]C ZINC000662306827 412092746 /nfs/dbraw/zinc/09/27/46/412092746.db2.gz UDLAQBHDVHKPHT-NSHDSACASA-N 2 2 227.352 0.539 20 0 BCADLP CC[C@H]([NH3+])C(=O)N1CCn2c(C)c(C)[nH+]c2C1 ZINC000376206957 171478972 /nfs/dbraw/zinc/47/89/72/171478972.db2.gz AVMMBNBITJYJEA-JTQLQIEISA-N 2 2 236.319 0.579 20 0 BCADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cnn(C)c1 ZINC000665243669 412186728 /nfs/dbraw/zinc/18/67/28/412186728.db2.gz QEDPOUTUIPYFED-WDEREUQCSA-N 2 2 208.309 0.823 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000665244594 412187265 /nfs/dbraw/zinc/18/72/65/412187265.db2.gz RJJFYOBCBUTXGJ-UTLUCORTSA-N 2 2 234.290 0.998 20 0 BCADLP CCn1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])nn1 ZINC000665245127 412189194 /nfs/dbraw/zinc/18/91/94/412189194.db2.gz AEZRFNZIGUAACR-RKDXNWHRSA-N 2 2 211.313 0.513 20 0 BCADLP CC[C@@H](O)C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000665262175 412205793 /nfs/dbraw/zinc/20/57/93/412205793.db2.gz VULSDMCIBGIDOM-GARJFASQSA-N 2 2 216.325 0.114 20 0 BCADLP C[NH+](C)C1(CNc2nc[nH+]c(N)c2Cl)CC1 ZINC000397840540 412151935 /nfs/dbraw/zinc/15/19/35/412151935.db2.gz GMHLBAJPCKWGMJ-UHFFFAOYSA-N 2 2 241.726 1.218 20 0 BCADLP C[NH2+]CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000662407973 412153188 /nfs/dbraw/zinc/15/31/88/412153188.db2.gz KJGUSIUJHRNAAS-UHFFFAOYSA-N 2 2 232.287 0.592 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422749247 412173389 /nfs/dbraw/zinc/17/33/89/412173389.db2.gz YEWSGXVGEPIBRQ-KNZXXDILSA-N 2 2 210.321 0.894 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](CO)C1CCC1 ZINC000665235440 412174439 /nfs/dbraw/zinc/17/44/39/412174439.db2.gz VZNNTIRSCREZRL-KGYLQXTDSA-N 2 2 242.363 0.504 20 0 BCADLP C[N@@H+]1CCc2ncnc(NCC(C)(C)[NH3+])c2C1 ZINC000599928665 412258042 /nfs/dbraw/zinc/25/80/42/412258042.db2.gz OSJUOUQHYSXYCP-UHFFFAOYSA-N 2 2 235.335 0.614 20 0 BCADLP C[N@H+]1CCc2ncnc(NCC(C)(C)[NH3+])c2C1 ZINC000599928665 412258045 /nfs/dbraw/zinc/25/80/45/412258045.db2.gz OSJUOUQHYSXYCP-UHFFFAOYSA-N 2 2 235.335 0.614 20 0 BCADLP [NH3+]C1(C(=O)NCCc2[nH]cc[nH+]2)CC2(CCC2)C1 ZINC000662730817 412287243 /nfs/dbraw/zinc/28/72/43/412287243.db2.gz QEKITPGIZPOITL-UHFFFAOYSA-N 2 2 248.330 0.730 20 0 BCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279466 412220224 /nfs/dbraw/zinc/22/02/24/412220224.db2.gz CWYCGTSFHGKZFI-QCXCNERSSA-N 3 2 239.363 0.095 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)CC[N@@H+]1C ZINC000665277760 412220987 /nfs/dbraw/zinc/22/09/87/412220987.db2.gz KVEANKJZDYRMEA-GMKTYKIGSA-N 3 2 223.364 0.811 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)CC[N@H+]1C ZINC000665277760 412220989 /nfs/dbraw/zinc/22/09/89/412220989.db2.gz KVEANKJZDYRMEA-GMKTYKIGSA-N 3 2 223.364 0.811 20 0 BCADLP C([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C12CC(C1)C[NH2+]2 ZINC000665278098 412221562 /nfs/dbraw/zinc/22/15/62/412221562.db2.gz VBRWLSIUJSDWDK-QPPOZKHWSA-N 3 2 235.375 0.955 20 0 BCADLP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C12CC(C1)C[NH2+]2 ZINC000665278098 412221566 /nfs/dbraw/zinc/22/15/66/412221566.db2.gz VBRWLSIUJSDWDK-QPPOZKHWSA-N 3 2 235.375 0.955 20 0 BCADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cn[nH]c1 ZINC000665280226 412225318 /nfs/dbraw/zinc/22/53/18/412225318.db2.gz WFXMGIRZFYXIOQ-SILCLGDVSA-N 2 2 206.293 0.812 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)CC(C)(C)[NH3+] ZINC000662586586 412229877 /nfs/dbraw/zinc/22/98/77/412229877.db2.gz WQZBVDJBABNSIJ-UHFFFAOYSA-N 2 2 210.281 0.496 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)CC(C)(C)[NH3+] ZINC000662586586 412229878 /nfs/dbraw/zinc/22/98/78/412229878.db2.gz WQZBVDJBABNSIJ-UHFFFAOYSA-N 2 2 210.281 0.496 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000662586162 412230906 /nfs/dbraw/zinc/23/09/06/412230906.db2.gz POEUDZLNPRUQIB-JTQLQIEISA-N 2 2 236.319 0.900 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000662586162 412230909 /nfs/dbraw/zinc/23/09/09/412230909.db2.gz POEUDZLNPRUQIB-JTQLQIEISA-N 2 2 236.319 0.900 20 0 BCADLP C[C@H]([NH3+])CCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662585151 412231011 /nfs/dbraw/zinc/23/10/11/412231011.db2.gz IBEDUIWVIFNBTA-QMMMGPOBSA-N 2 2 210.281 0.496 20 0 BCADLP C[C@H]([NH3+])CCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662585151 412231013 /nfs/dbraw/zinc/23/10/13/412231013.db2.gz IBEDUIWVIFNBTA-QMMMGPOBSA-N 2 2 210.281 0.496 20 0 BCADLP C[C@@H]([NH3+])CCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662585150 412231354 /nfs/dbraw/zinc/23/13/54/412231354.db2.gz IBEDUIWVIFNBTA-MRVPVSSYSA-N 2 2 210.281 0.496 20 0 BCADLP C[C@@H]([NH3+])CCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662585150 412231357 /nfs/dbraw/zinc/23/13/57/412231357.db2.gz IBEDUIWVIFNBTA-MRVPVSSYSA-N 2 2 210.281 0.496 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CCC[NH2+]1 ZINC000662585965 412231370 /nfs/dbraw/zinc/23/13/70/412231370.db2.gz NAZOBHUTHKRSAV-SECBINFHSA-N 2 2 208.265 0.120 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CCC[NH2+]1 ZINC000662585965 412231373 /nfs/dbraw/zinc/23/13/73/412231373.db2.gz NAZOBHUTHKRSAV-SECBINFHSA-N 2 2 208.265 0.120 20 0 BCADLP C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])S(C)(=O)=O ZINC000665299359 412246425 /nfs/dbraw/zinc/24/64/25/412246425.db2.gz LOGGIEJSIWQPLM-OUAUKWLOSA-N 2 2 248.392 0.669 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000662838135 412317396 /nfs/dbraw/zinc/31/73/96/412317396.db2.gz DGUCWECPRJSNLW-OCAPTIKFSA-N 2 2 208.265 0.105 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000662838135 412317398 /nfs/dbraw/zinc/31/73/98/412317398.db2.gz DGUCWECPRJSNLW-OCAPTIKFSA-N 2 2 208.265 0.105 20 0 BCADLP C[C@H]1CC[NH2+][C@@H](C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000662839735 412318086 /nfs/dbraw/zinc/31/80/86/412318086.db2.gz WMJXKQZXWUQIHZ-GXSJLCMTSA-N 2 2 236.319 0.756 20 0 BCADLP C[C@H]1CC[NH2+][C@@H](C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000662839735 412318090 /nfs/dbraw/zinc/31/80/90/412318090.db2.gz WMJXKQZXWUQIHZ-GXSJLCMTSA-N 2 2 236.319 0.756 20 0 BCADLP CC(C)c1nc(NC[C@H]2C[NH2+]CCN2C)cc[nH+]1 ZINC000420266150 412322857 /nfs/dbraw/zinc/32/28/57/412322857.db2.gz FUYJBHNPWAVEFK-LLVKDONJSA-N 2 2 249.362 0.916 20 0 BCADLP CC(C)c1nc(NC[C@@H]2C[NH2+]C[C@@H]2O)cc[nH+]1 ZINC000420245150 412322995 /nfs/dbraw/zinc/32/29/95/412322995.db2.gz DXMDCVLAYJMWCM-UWVGGRQHSA-N 2 2 236.319 0.592 20 0 BCADLP CC[C@@H]([NH3+])C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000662899616 412339971 /nfs/dbraw/zinc/33/99/71/412339971.db2.gz GXDOMEZLASMRDY-DTWKUNHWSA-N 2 2 224.308 0.818 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)C[NH2+]C ZINC000662900428 412340274 /nfs/dbraw/zinc/34/02/74/412340274.db2.gz OQXLPBATHFYOGU-MRVPVSSYSA-N 2 2 210.281 0.300 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000662903242 412340992 /nfs/dbraw/zinc/34/09/92/412340992.db2.gz XTCVRWKKILUAJZ-LPEHRKFASA-N 2 2 236.319 0.818 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000662901328 412341392 /nfs/dbraw/zinc/34/13/92/412341392.db2.gz YNCCISJBYQUJJG-ZNSHCXBVSA-N 2 2 248.330 0.546 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@]1(C)CC1(C)C ZINC000662917730 412344763 /nfs/dbraw/zinc/34/47/63/412344763.db2.gz XDEBPNCVAKFASI-SKDRFNHKSA-N 2 2 227.352 0.570 20 0 BCADLP C[C@@H](NC(=O)C1([NH3+])CCCC1)c1[nH+]ccn1C ZINC000662934724 412349151 /nfs/dbraw/zinc/34/91/51/412349151.db2.gz PUOASIRNXCWWRP-SECBINFHSA-N 2 2 236.319 0.869 20 0 BCADLP CC[C@@H]([NH3+])C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662935211 412349197 /nfs/dbraw/zinc/34/91/97/412349197.db2.gz TUGYISZNHBIEPF-JGVFFNPUSA-N 2 2 210.281 0.335 20 0 BCADLP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662935730 412349493 /nfs/dbraw/zinc/34/94/93/412349493.db2.gz YQGNDTUDSKXRCM-UWVGGRQHSA-N 2 2 238.335 0.971 20 0 BCADLP CN(C[C@H]1CC1(C)C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000662994355 412365207 /nfs/dbraw/zinc/36/52/07/412365207.db2.gz UIJSWWVUXCQJLT-GHMZBOCLSA-N 2 2 241.379 0.770 20 0 BCADLP C[NH2+]CCNc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000420160637 412290919 /nfs/dbraw/zinc/29/09/19/412290919.db2.gz UXEMMTIWCKSUMY-UHFFFAOYSA-N 2 2 243.314 1.478 20 0 BCADLP C[NH2+]C[C@@H](C)CNc1cc(NCC2CC2)[nH+]cn1 ZINC000420188514 412292495 /nfs/dbraw/zinc/29/24/95/412292495.db2.gz FITPXBSHKGEVAR-SNVBAGLBSA-N 2 2 249.362 1.566 20 0 BCADLP C[NH2+]C[C@@H](C)CNc1cc(NCC2CC2)nc[nH+]1 ZINC000420188514 412292498 /nfs/dbraw/zinc/29/24/98/412292498.db2.gz FITPXBSHKGEVAR-SNVBAGLBSA-N 2 2 249.362 1.566 20 0 BCADLP C[NH+]1CCN(C(=O)[C@H]2[NH2+]CCC2(C)C)CC1 ZINC000662763137 412293544 /nfs/dbraw/zinc/29/35/44/412293544.db2.gz MYDNUUSWGNIRRL-SNVBAGLBSA-N 2 2 225.336 0.149 20 0 BCADLP Cc1c[nH+]c2cc(C(=O)NCC3C[NH2+]C3)ccn12 ZINC000662763238 412293752 /nfs/dbraw/zinc/29/37/52/412293752.db2.gz SOTQLRDQQXKWGF-UHFFFAOYSA-N 2 2 244.298 0.592 20 0 BCADLP Nc1[nH+]cnc(NCC[C@H]2CCC[NH2+]2)c1Cl ZINC000643028137 412302934 /nfs/dbraw/zinc/30/29/34/412302934.db2.gz RNGDWCLDXYJSEE-SSDOTTSWSA-N 2 2 241.726 1.266 20 0 BCADLP Nc1nc[nH+]c(NCC[C@H]2CCC[NH2+]2)c1Cl ZINC000643028137 412302938 /nfs/dbraw/zinc/30/29/38/412302938.db2.gz RNGDWCLDXYJSEE-SSDOTTSWSA-N 2 2 241.726 1.266 20 0 BCADLP Nc1[nH+]cnc(N2CC[C@@H](F)[C@H]([NH3+])C2)c1Cl ZINC000663276439 412406151 /nfs/dbraw/zinc/40/61/51/412406151.db2.gz XROWOYYJCUEBNS-PHDIDXHHSA-N 2 2 245.689 0.588 20 0 BCADLP CCc1[nH+]ccn1CC[NH+]1CCOCC1 ZINC000041392097 172024913 /nfs/dbraw/zinc/02/49/13/172024913.db2.gz RJNLVXLITRRTOY-UHFFFAOYSA-N 2 2 209.293 0.778 20 0 BCADLP CN(C)C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266801006 172364315 /nfs/dbraw/zinc/36/43/15/172364315.db2.gz ZABNGYCBNPPMHN-UHFFFAOYSA-N 2 2 236.319 0.677 20 0 BCADLP C[NH+](C)C1CC[NH+](CCNc2ncccn2)CC1 ZINC000267148046 172407202 /nfs/dbraw/zinc/40/72/02/172407202.db2.gz BPBSNOCXBICNSG-UHFFFAOYSA-N 2 2 249.362 0.915 20 0 BCADLP C[NH+](C)CC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000171178594 172417717 /nfs/dbraw/zinc/41/77/17/172417717.db2.gz PDWQHDFCNDRTHD-SNVBAGLBSA-N 2 2 239.319 0.560 20 0 BCADLP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2nnc3n2CCCC3)C1 ZINC000568247996 322930423 /nfs/dbraw/zinc/93/04/23/322930423.db2.gz DBURGOYMEGCUSA-MNOVXSKESA-N 2 2 249.362 0.974 20 0 BCADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)nn1 ZINC000355040075 173003664 /nfs/dbraw/zinc/00/36/64/173003664.db2.gz MZJMJTGZXOWTIW-UHFFFAOYSA-N 2 2 249.362 0.875 20 0 BCADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)nn1 ZINC000355040075 173003666 /nfs/dbraw/zinc/00/36/66/173003666.db2.gz MZJMJTGZXOWTIW-UHFFFAOYSA-N 2 2 249.362 0.875 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1(C(N)=O)CC1 ZINC000336746301 173029556 /nfs/dbraw/zinc/02/95/56/173029556.db2.gz BDDXWSOBZWCLND-SECBINFHSA-N 2 2 211.309 0.078 20 0 BCADLP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(C(N)=O)CC1 ZINC000336746301 173029559 /nfs/dbraw/zinc/02/95/59/173029559.db2.gz BDDXWSOBZWCLND-SECBINFHSA-N 2 2 211.309 0.078 20 0 BCADLP Cn1ccnc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044536995 173042911 /nfs/dbraw/zinc/04/29/11/173042911.db2.gz WWVROHIPMKFPGS-LLVKDONJSA-N 2 2 222.336 0.852 20 0 BCADLP Cn1ccnc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044536995 173042913 /nfs/dbraw/zinc/04/29/13/173042913.db2.gz WWVROHIPMKFPGS-LLVKDONJSA-N 2 2 222.336 0.852 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000336530183 173050264 /nfs/dbraw/zinc/05/02/64/173050264.db2.gz QVOBBOVEIJHEHN-VIFPVBQESA-N 2 2 208.265 0.120 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000336530183 173050265 /nfs/dbraw/zinc/05/02/65/173050265.db2.gz QVOBBOVEIJHEHN-VIFPVBQESA-N 2 2 208.265 0.120 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000336530183 173050268 /nfs/dbraw/zinc/05/02/68/173050268.db2.gz QVOBBOVEIJHEHN-VIFPVBQESA-N 2 2 208.265 0.120 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000336530183 173050271 /nfs/dbraw/zinc/05/02/71/173050271.db2.gz QVOBBOVEIJHEHN-VIFPVBQESA-N 2 2 208.265 0.120 20 0 BCADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000218141120 173055604 /nfs/dbraw/zinc/05/56/04/173055604.db2.gz SHEQMXWFDITMHU-ZDUSSCGKSA-N 2 2 247.342 0.969 20 0 BCADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000218141120 173055605 /nfs/dbraw/zinc/05/56/05/173055605.db2.gz SHEQMXWFDITMHU-ZDUSSCGKSA-N 2 2 247.342 0.969 20 0 BCADLP C[NH+]1CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000019435222 173064444 /nfs/dbraw/zinc/06/44/44/173064444.db2.gz VBBCZZLKSKYDMY-UHFFFAOYSA-N 2 2 225.336 0.422 20 0 BCADLP C[NH+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000276464298 173065330 /nfs/dbraw/zinc/06/53/30/173065330.db2.gz CFLHIVIVRNHRCJ-NSCUHMNNSA-N 2 2 220.276 0.197 20 0 BCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC1CCC1 ZINC000093173478 173066241 /nfs/dbraw/zinc/06/62/41/173066241.db2.gz JMHVUYWFEQQTNQ-UHFFFAOYSA-N 2 2 239.363 0.492 20 0 BCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)CC1CCC1 ZINC000093173478 173066242 /nfs/dbraw/zinc/06/62/42/173066242.db2.gz JMHVUYWFEQQTNQ-UHFFFAOYSA-N 2 2 239.363 0.492 20 0 BCADLP C[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000019508990 173071036 /nfs/dbraw/zinc/07/10/36/173071036.db2.gz JKUQAKMXYQZWSC-GFCCVEGCSA-N 2 2 233.315 0.460 20 0 BCADLP Cn1cccc1C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000068801903 173075155 /nfs/dbraw/zinc/07/51/55/173075155.db2.gz NIBBDOMMSGNTIK-CYBMUJFWSA-N 2 2 236.363 0.361 20 0 BCADLP Cn1cccc1C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000068801903 173075158 /nfs/dbraw/zinc/07/51/58/173075158.db2.gz NIBBDOMMSGNTIK-CYBMUJFWSA-N 2 2 236.363 0.361 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C1CCCC1 ZINC000082668997 173076457 /nfs/dbraw/zinc/07/64/57/173076457.db2.gz QRDZTUUIHMSGDG-GFCCVEGCSA-N 2 2 211.353 0.764 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C1CCCC1 ZINC000082668997 173076459 /nfs/dbraw/zinc/07/64/59/173076459.db2.gz QRDZTUUIHMSGDG-GFCCVEGCSA-N 2 2 211.353 0.764 20 0 BCADLP CN1CC[N@H+](CCn2cc[nH+]c2)C(C)(C)C1=O ZINC000162233754 173083701 /nfs/dbraw/zinc/08/37/01/173083701.db2.gz KCEQKVIZCVNLBJ-UHFFFAOYSA-N 2 2 236.319 0.436 20 0 BCADLP CN1CC[N@@H+](CCn2cc[nH+]c2)C(C)(C)C1=O ZINC000162233754 173083704 /nfs/dbraw/zinc/08/37/04/173083704.db2.gz KCEQKVIZCVNLBJ-UHFFFAOYSA-N 2 2 236.319 0.436 20 0 BCADLP C[N@@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000264682168 173115363 /nfs/dbraw/zinc/11/53/63/173115363.db2.gz ORTJXVUTYKIGLA-NSHDSACASA-N 2 2 236.319 0.341 20 0 BCADLP C[N@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000264682168 173115365 /nfs/dbraw/zinc/11/53/65/173115365.db2.gz ORTJXVUTYKIGLA-NSHDSACASA-N 2 2 236.319 0.341 20 0 BCADLP CN1CC[C@@H]([N@H+](C)CC[C@H]2CCC[NH+]2C)C1=O ZINC000336681357 173120179 /nfs/dbraw/zinc/12/01/79/173120179.db2.gz COFKZHIFLZTEGZ-VXGBXAGGSA-N 2 2 239.363 0.633 20 0 BCADLP CN1CC[C@@H]([N@@H+](C)CC[C@H]2CCC[NH+]2C)C1=O ZINC000336681357 173120183 /nfs/dbraw/zinc/12/01/83/173120183.db2.gz COFKZHIFLZTEGZ-VXGBXAGGSA-N 2 2 239.363 0.633 20 0 BCADLP CN1CC[C@@H]([NH+](C)CC[C@H]2CCC[N@@H+]2C)C1=O ZINC000336681357 173120184 /nfs/dbraw/zinc/12/01/84/173120184.db2.gz COFKZHIFLZTEGZ-VXGBXAGGSA-N 2 2 239.363 0.633 20 0 BCADLP CN1CC[C@@H]([NH+](C)CC[C@H]2CCC[N@H+]2C)C1=O ZINC000336681357 173120187 /nfs/dbraw/zinc/12/01/87/173120187.db2.gz COFKZHIFLZTEGZ-VXGBXAGGSA-N 2 2 239.363 0.633 20 0 BCADLP C[N@@H+]1CC[C@@H]2CC[NH+](CCn3ccnc3)[C@H]2C1 ZINC000375231794 173130084 /nfs/dbraw/zinc/13/00/84/173130084.db2.gz YYMJAEDRZSASBH-OLZOCXBDSA-N 2 2 234.347 0.909 20 0 BCADLP C[N@H+]1CC[C@@H]2CC[NH+](CCn3ccnc3)[C@H]2C1 ZINC000375231794 173130087 /nfs/dbraw/zinc/13/00/87/173130087.db2.gz YYMJAEDRZSASBH-OLZOCXBDSA-N 2 2 234.347 0.909 20 0 BCADLP C[NH+]1CC[C@@H]2CC[N@H+](CCn3ccnc3)[C@H]2C1 ZINC000375231794 173130089 /nfs/dbraw/zinc/13/00/89/173130089.db2.gz YYMJAEDRZSASBH-OLZOCXBDSA-N 2 2 234.347 0.909 20 0 BCADLP C[NH+]1CC[C@@H]2CC[N@@H+](CCn3ccnc3)[C@H]2C1 ZINC000375231794 173130091 /nfs/dbraw/zinc/13/00/91/173130091.db2.gz YYMJAEDRZSASBH-OLZOCXBDSA-N 2 2 234.347 0.909 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000370149856 173132456 /nfs/dbraw/zinc/13/24/56/173132456.db2.gz IMTPMGPGQDLNJI-DGCLKSJQSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000370149856 173132458 /nfs/dbraw/zinc/13/24/58/173132458.db2.gz IMTPMGPGQDLNJI-DGCLKSJQSA-N 2 2 234.347 0.946 20 0 BCADLP C[N@@H+]1CC[C@H]2CCN(Cc3c[nH]c[nH+]3)C[C@@H]21 ZINC000378472731 173159539 /nfs/dbraw/zinc/15/95/39/173159539.db2.gz JIKYQPHGRWOLJL-JQWIXIFHSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@H+]1CC[C@H]2CCN(Cc3c[nH]c[nH+]3)C[C@@H]21 ZINC000378472731 173159541 /nfs/dbraw/zinc/15/95/41/173159541.db2.gz JIKYQPHGRWOLJL-JQWIXIFHSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@@H+]1CC[C@H]2CCN(Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC000378472731 173159543 /nfs/dbraw/zinc/15/95/43/173159543.db2.gz JIKYQPHGRWOLJL-JQWIXIFHSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@H+]1CC[C@H]2CCN(Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC000378472731 173159545 /nfs/dbraw/zinc/15/95/45/173159545.db2.gz JIKYQPHGRWOLJL-JQWIXIFHSA-N 2 2 220.320 0.936 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000370149857 173161597 /nfs/dbraw/zinc/16/15/97/173161597.db2.gz IMTPMGPGQDLNJI-WCQYABFASA-N 2 2 234.347 0.946 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000370149857 173161598 /nfs/dbraw/zinc/16/15/98/173161598.db2.gz IMTPMGPGQDLNJI-WCQYABFASA-N 2 2 234.347 0.946 20 0 BCADLP CN1C[C@H]([NH2+]Cc2cccc3[nH+]ccn32)CC1=O ZINC000271247522 173194819 /nfs/dbraw/zinc/19/48/19/173194819.db2.gz JQFYGRRHFXZBTI-SNVBAGLBSA-N 2 2 244.298 0.655 20 0 BCADLP CNC(=O)C(C)(C)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336766357 173220329 /nfs/dbraw/zinc/22/03/29/173220329.db2.gz OUMOXXYQCSFWNF-VHSXEESVSA-N 2 2 227.352 0.298 20 0 BCADLP CNC(=O)C(C)(C)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336766357 173220331 /nfs/dbraw/zinc/22/03/31/173220331.db2.gz OUMOXXYQCSFWNF-VHSXEESVSA-N 2 2 227.352 0.298 20 0 BCADLP CNC(=O)CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266773526 173251676 /nfs/dbraw/zinc/25/16/76/173251676.db2.gz SPGDFTXIRDSUGM-UHFFFAOYSA-N 2 2 236.319 0.725 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353625258 173281046 /nfs/dbraw/zinc/28/10/46/173281046.db2.gz FSJZGKTUCKLSAG-BDAKNGLRSA-N 2 2 236.319 0.381 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353625258 173281047 /nfs/dbraw/zinc/28/10/47/173281047.db2.gz FSJZGKTUCKLSAG-BDAKNGLRSA-N 2 2 236.319 0.381 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000341890127 173281806 /nfs/dbraw/zinc/28/18/06/173281806.db2.gz GKHWMUYSMPBULF-NEPJUHHUSA-N 2 2 241.379 0.833 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000341890127 173281807 /nfs/dbraw/zinc/28/18/07/173281807.db2.gz GKHWMUYSMPBULF-NEPJUHHUSA-N 2 2 241.379 0.833 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000309656198 173282162 /nfs/dbraw/zinc/28/21/62/173282162.db2.gz PWZXQCSBBYVSHD-GXSJLCMTSA-N 2 2 227.352 0.441 20 0 BCADLP CNC(=O)[C@@H]([NH2+]C1CC[NH+](C)CC1)C(C)C ZINC000309633627 173296705 /nfs/dbraw/zinc/29/67/05/173296705.db2.gz IRYLYSLAXCPMSH-NSHDSACASA-N 2 2 227.352 0.441 20 0 BCADLP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000330573855 173299940 /nfs/dbraw/zinc/29/99/40/173299940.db2.gz OBVLALIFULYBBI-GHMZBOCLSA-N 2 2 236.319 0.387 20 0 BCADLP C[NH2+]C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000335622415 173322586 /nfs/dbraw/zinc/32/25/86/173322586.db2.gz JISYKCRGPCMVQS-LBPRGKRZSA-N 3 2 211.353 0.670 20 0 BCADLP C[NH2+]CC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000281433174 173333404 /nfs/dbraw/zinc/33/34/04/173333404.db2.gz JJCPBFOPXIBDJR-UHFFFAOYSA-N 2 2 218.260 0.801 20 0 BCADLP C[NH2+]CCC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000262344941 173340563 /nfs/dbraw/zinc/34/05/63/173340563.db2.gz IHLCMHGBWMRTDF-UHFFFAOYSA-N 2 2 246.314 0.868 20 0 BCADLP C[NH2+]CCC[N@H+](C)CC(=O)N1CCC[C@@H](C)C1 ZINC000121972736 173345769 /nfs/dbraw/zinc/34/57/69/173345769.db2.gz IMQMIGSQAFOSGD-GFCCVEGCSA-N 2 2 241.379 0.786 20 0 BCADLP C[NH2+]CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C)C1 ZINC000121972736 173345770 /nfs/dbraw/zinc/34/57/70/173345770.db2.gz IMQMIGSQAFOSGD-GFCCVEGCSA-N 2 2 241.379 0.786 20 0 BCADLP C[NH2+]CCC[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000309143425 173346170 /nfs/dbraw/zinc/34/61/70/173346170.db2.gz UHIOSMQNQWYQDV-NSHDSACASA-N 3 2 201.358 0.901 20 0 BCADLP C[NH2+]CCC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000309143425 173346171 /nfs/dbraw/zinc/34/61/71/173346171.db2.gz UHIOSMQNQWYQDV-NSHDSACASA-N 3 2 201.358 0.901 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCc2cncnc2C1 ZINC000309647857 173347522 /nfs/dbraw/zinc/34/75/22/173347522.db2.gz RBYKPLUOWFLVCE-UHFFFAOYSA-N 2 2 206.293 0.444 20 0 BCADLP C[NH2+]CCC[N@H+]1CCc2cncnc2C1 ZINC000309647857 173347524 /nfs/dbraw/zinc/34/75/24/173347524.db2.gz RBYKPLUOWFLVCE-UHFFFAOYSA-N 2 2 206.293 0.444 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccnn2C)C1 ZINC000041045882 173367707 /nfs/dbraw/zinc/36/77/07/173367707.db2.gz ZIDYRBAPPPNYPI-NSHDSACASA-N 2 2 222.336 0.852 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccnn2C)C1 ZINC000041045882 173367708 /nfs/dbraw/zinc/36/77/08/173367708.db2.gz ZIDYRBAPPPNYPI-NSHDSACASA-N 2 2 222.336 0.852 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000123628920 173369224 /nfs/dbraw/zinc/36/92/24/173369224.db2.gz ZXUQRTRZJOAWFJ-ZDUSSCGKSA-N 2 2 247.342 0.969 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000123628920 173369226 /nfs/dbraw/zinc/36/92/26/173369226.db2.gz ZXUQRTRZJOAWFJ-ZDUSSCGKSA-N 2 2 247.342 0.969 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCC(C)C)C1 ZINC000221297438 173370655 /nfs/dbraw/zinc/37/06/55/173370655.db2.gz ZBSHFPDTYPFPBK-RYUDHWBXSA-N 2 2 241.379 0.688 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NCC(C)C)C1 ZINC000221297438 173370656 /nfs/dbraw/zinc/37/06/56/173370656.db2.gz ZBSHFPDTYPFPBK-RYUDHWBXSA-N 2 2 241.379 0.688 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000221297224 173370680 /nfs/dbraw/zinc/37/06/80/173370680.db2.gz HORNWKUQWMCYSR-QWRGUYRKSA-N 2 2 241.379 0.831 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000221297224 173370681 /nfs/dbraw/zinc/37/06/81/173370681.db2.gz HORNWKUQWMCYSR-QWRGUYRKSA-N 2 2 241.379 0.831 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NCC(C)C)C1 ZINC000250587995 173371321 /nfs/dbraw/zinc/37/13/21/173371321.db2.gz ZBSHFPDTYPFPBK-NEPJUHHUSA-N 2 2 241.379 0.688 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)NCC(C)C)C1 ZINC000250587995 173371323 /nfs/dbraw/zinc/37/13/23/173371323.db2.gz ZBSHFPDTYPFPBK-NEPJUHHUSA-N 2 2 241.379 0.688 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC2CC2)C1 ZINC000040601480 173378513 /nfs/dbraw/zinc/37/85/13/173378513.db2.gz DJBQJDBYEDGRAF-GHMZBOCLSA-N 2 2 239.363 0.585 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)C(=O)NC2CC2)C1 ZINC000040601480 173378514 /nfs/dbraw/zinc/37/85/14/173378514.db2.gz DJBQJDBYEDGRAF-GHMZBOCLSA-N 2 2 239.363 0.585 20 0 BCADLP COC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228544739 173594075 /nfs/dbraw/zinc/59/40/75/173594075.db2.gz DEECSXBBOVCYGE-IVZWLZJFSA-N 2 2 212.293 0.219 20 0 BCADLP COC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228544739 173594076 /nfs/dbraw/zinc/59/40/76/173594076.db2.gz DEECSXBBOVCYGE-IVZWLZJFSA-N 2 2 212.293 0.219 20 0 BCADLP COCCC[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000361346494 174260554 /nfs/dbraw/zinc/26/05/54/174260554.db2.gz OWRPBTKAQUVPKB-CHWSQXEVSA-N 2 2 243.395 0.637 20 0 BCADLP COCCC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000361346494 174260555 /nfs/dbraw/zinc/26/05/55/174260555.db2.gz OWRPBTKAQUVPKB-CHWSQXEVSA-N 2 2 243.395 0.637 20 0 BCADLP COCC[N@H+](C)CCCNCc1[nH]cc[nH+]1 ZINC000067693685 174274913 /nfs/dbraw/zinc/27/49/13/174274913.db2.gz PHQVGDOKNYBOGU-UHFFFAOYSA-N 2 2 226.324 0.468 20 0 BCADLP COCC[N@@H+](C)CCCNCc1[nH]cc[nH+]1 ZINC000067693685 174274914 /nfs/dbraw/zinc/27/49/14/174274914.db2.gz PHQVGDOKNYBOGU-UHFFFAOYSA-N 2 2 226.324 0.468 20 0 BCADLP COCC[N@H+](C)CCNCc1[nH+]cc(C)n1C ZINC000341005338 174277738 /nfs/dbraw/zinc/27/77/38/174277738.db2.gz DUKMKRDSQYOTTD-UHFFFAOYSA-N 2 2 240.351 0.396 20 0 BCADLP COCC[N@@H+](C)CCNCc1[nH+]cc(C)n1C ZINC000341005338 174277740 /nfs/dbraw/zinc/27/77/40/174277740.db2.gz DUKMKRDSQYOTTD-UHFFFAOYSA-N 2 2 240.351 0.396 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@@H]1CSC[C@H]1C ZINC000308952019 174279763 /nfs/dbraw/zinc/27/97/63/174279763.db2.gz HRCLQNCNUIDCSO-GHMZBOCLSA-N 2 2 232.393 0.906 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@@H]1CSC[C@H]1C ZINC000308952019 174279764 /nfs/dbraw/zinc/27/97/64/174279764.db2.gz HRCLQNCNUIDCSO-GHMZBOCLSA-N 2 2 232.393 0.906 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000328205531 174314208 /nfs/dbraw/zinc/31/42/08/174314208.db2.gz TYGFNQALNSQVKN-OLZOCXBDSA-N 2 2 242.363 0.723 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000328205531 174314210 /nfs/dbraw/zinc/31/42/10/174314210.db2.gz TYGFNQALNSQVKN-OLZOCXBDSA-N 2 2 242.363 0.723 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCc2cn[nH]c2)C1 ZINC000289922307 174315288 /nfs/dbraw/zinc/31/52/88/174315288.db2.gz SKNKLJBQTZALBG-LBPRGKRZSA-N 2 2 238.335 0.263 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+]CCc2cn[nH]c2)C1 ZINC000289922307 174315289 /nfs/dbraw/zinc/31/52/89/174315289.db2.gz SKNKLJBQTZALBG-LBPRGKRZSA-N 2 2 238.335 0.263 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCCCO)C1 ZINC000352746359 174316369 /nfs/dbraw/zinc/31/63/69/174316369.db2.gz PQBUMWQKAWTRJX-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+][C@H](C)CCCCO)C1 ZINC000352746359 174316370 /nfs/dbraw/zinc/31/63/70/174316370.db2.gz PQBUMWQKAWTRJX-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP COCC[NH2+]CC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000053388749 174333292 /nfs/dbraw/zinc/33/32/92/174333292.db2.gz REFRDRBHLUBMIR-MNOVXSKESA-N 2 2 216.325 0.380 20 0 BCADLP COCCOCC[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000226971940 174353191 /nfs/dbraw/zinc/35/31/91/174353191.db2.gz XXYLDXYOIWYYFH-RYUDHWBXSA-N 2 2 230.352 0.709 20 0 BCADLP COCCOCC[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000226971940 174353194 /nfs/dbraw/zinc/35/31/94/174353194.db2.gz XXYLDXYOIWYYFH-RYUDHWBXSA-N 2 2 230.352 0.709 20 0 BCADLP COCCOCC[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000070531748 174353732 /nfs/dbraw/zinc/35/37/32/174353732.db2.gz ARMLCRUIXSAKGB-NEPJUHHUSA-N 2 2 230.352 0.851 20 0 BCADLP COCCOCC[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000070531748 174353734 /nfs/dbraw/zinc/35/37/34/174353734.db2.gz ARMLCRUIXSAKGB-NEPJUHHUSA-N 2 2 230.352 0.851 20 0 BCADLP COc1ccc(OCC[N@H+](C)CC[NH3+])cc1 ZINC000049819799 175172732 /nfs/dbraw/zinc/17/27/32/175172732.db2.gz VIDZAJLTENGTOE-UHFFFAOYSA-N 2 2 224.304 0.965 20 0 BCADLP COc1ccc(OCC[N@@H+](C)CC[NH3+])cc1 ZINC000049819799 175172733 /nfs/dbraw/zinc/17/27/33/175172733.db2.gz VIDZAJLTENGTOE-UHFFFAOYSA-N 2 2 224.304 0.965 20 0 BCADLP COc1cc[nH+]cc1NC(=O)[C@@H](C)C[NH3+] ZINC000262417807 175375306 /nfs/dbraw/zinc/37/53/06/175375306.db2.gz RKQSEIHXYWVMMO-ZETCQYMHSA-N 2 2 209.249 0.624 20 0 BCADLP Cn1nncc1C[NH2+]CC1([NH3+])CCCCCC1 ZINC000556934984 322931486 /nfs/dbraw/zinc/93/14/86/322931486.db2.gz CGJFBSYDBLHALT-UHFFFAOYSA-N 2 2 237.351 0.956 20 0 BCADLP C[C@@H]1CC(=O)NCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000363458764 176049350 /nfs/dbraw/zinc/04/93/50/176049350.db2.gz AZEJLTZQAOYNFD-GFCCVEGCSA-N 2 2 239.363 0.683 20 0 BCADLP C[C@@H]1CC(=O)NCC[N@H+]1CCC[NH+]1CCCC1 ZINC000363458764 176049352 /nfs/dbraw/zinc/04/93/52/176049352.db2.gz AZEJLTZQAOYNFD-GFCCVEGCSA-N 2 2 239.363 0.683 20 0 BCADLP C[C@@H]1CCC[N@H+](CC(=O)N2CCCC2)[C@@H]1C[NH3+] ZINC000043617021 176096627 /nfs/dbraw/zinc/09/66/27/176096627.db2.gz SSPZDWNISDDIQW-VXGBXAGGSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@@H]1CCC[N@@H+](CC(=O)N2CCCC2)[C@@H]1C[NH3+] ZINC000043617021 176096630 /nfs/dbraw/zinc/09/66/30/176096630.db2.gz SSPZDWNISDDIQW-VXGBXAGGSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@@H]1CCC[N@H+](Cc2cnn(C)c2)[C@H]1C[NH3+] ZINC000251564505 176102328 /nfs/dbraw/zinc/10/23/28/176102328.db2.gz ALGNDDVUKMHADL-PWSUYJOCSA-N 2 2 222.336 0.979 20 0 BCADLP C[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)[C@H]1C[NH3+] ZINC000251564505 176102330 /nfs/dbraw/zinc/10/23/30/176102330.db2.gz ALGNDDVUKMHADL-PWSUYJOCSA-N 2 2 222.336 0.979 20 0 BCADLP C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C[C@H]1O ZINC000299891373 176171399 /nfs/dbraw/zinc/17/13/99/176171399.db2.gz QACFGRSIMKXSIY-VXGBXAGGSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C[C@H]1O ZINC000299891373 176171400 /nfs/dbraw/zinc/17/14/00/176171400.db2.gz QACFGRSIMKXSIY-VXGBXAGGSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000333311044 176185401 /nfs/dbraw/zinc/18/54/01/176185401.db2.gz RVTBBTCTDDJVOC-XWIASGKRSA-N 2 2 234.347 0.855 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)NC1CC1 ZINC000333754540 176187521 /nfs/dbraw/zinc/18/75/21/176187521.db2.gz ZMZREUBEGLDKLX-KBVBSXBZSA-N 2 2 225.336 0.241 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)CCO ZINC000309126217 176272437 /nfs/dbraw/zinc/27/24/37/176272437.db2.gz PRLUPHXOQIYNTL-MNOVXSKESA-N 2 2 214.353 0.935 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)CCO ZINC000309126217 176272439 /nfs/dbraw/zinc/27/24/39/176272439.db2.gz PRLUPHXOQIYNTL-MNOVXSKESA-N 2 2 214.353 0.935 20 0 BCADLP C[C@@H]1CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@@H](C)[NH2+]1 ZINC000360820062 176257444 /nfs/dbraw/zinc/25/74/44/176257444.db2.gz VCJYKWBORGCENV-IWSPIJDZSA-N 2 2 247.289 0.192 20 0 BCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1([S@@](C)=O)CC1 ZINC000336775970 176271598 /nfs/dbraw/zinc/27/15/98/176271598.db2.gz DGKSTZAZWYJYIO-GLKRBJQHSA-N 2 2 244.404 0.827 20 0 BCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1([S@@](C)=O)CC1 ZINC000336775970 176271601 /nfs/dbraw/zinc/27/16/01/176271601.db2.gz DGKSTZAZWYJYIO-GLKRBJQHSA-N 2 2 244.404 0.827 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCOCC1CC1 ZINC000309094688 176271949 /nfs/dbraw/zinc/27/19/49/176271949.db2.gz CJLDGASGBAXFGE-PWSUYJOCSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCOCC1CC1 ZINC000309094688 176271951 /nfs/dbraw/zinc/27/19/51/176271951.db2.gz CJLDGASGBAXFGE-PWSUYJOCSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1CN(C)C[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000335605725 176272690 /nfs/dbraw/zinc/27/26/90/176272690.db2.gz GBXZXONWRDBNPX-PWSUYJOCSA-N 2 2 211.353 0.620 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000362764519 176273180 /nfs/dbraw/zinc/27/31/80/176273180.db2.gz CDNZTKNTLXIJCV-ZJUUUORDSA-N 2 2 236.319 0.266 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000362764519 176273181 /nfs/dbraw/zinc/27/31/81/176273181.db2.gz CDNZTKNTLXIJCV-ZJUUUORDSA-N 2 2 236.319 0.266 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CC[C@H](CO)O1 ZINC000340419543 176273236 /nfs/dbraw/zinc/27/32/36/176273236.db2.gz KAINLBGUAWVSGE-KXNHARMFSA-N 2 2 228.336 0.066 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CC[C@H](CO)O1 ZINC000340419543 176273237 /nfs/dbraw/zinc/27/32/37/176273237.db2.gz KAINLBGUAWVSGE-KXNHARMFSA-N 2 2 228.336 0.066 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1cnccn1 ZINC000336751841 176273598 /nfs/dbraw/zinc/27/35/98/176273598.db2.gz COLLGRZYSYVKEA-PWSUYJOCSA-N 2 2 220.320 0.559 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1cnccn1 ZINC000336751841 176273596 /nfs/dbraw/zinc/27/35/96/176273596.db2.gz COLLGRZYSYVKEA-PWSUYJOCSA-N 2 2 220.320 0.559 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1O ZINC000348154921 176274322 /nfs/dbraw/zinc/27/43/22/176274322.db2.gz HHMJVPQJMCPFQY-RHYQMDGZSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1O ZINC000348154921 176274324 /nfs/dbraw/zinc/27/43/24/176274324.db2.gz HHMJVPQJMCPFQY-RHYQMDGZSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000358388150 176275056 /nfs/dbraw/zinc/27/50/56/176275056.db2.gz BTZZSYSIRLAEAZ-SCVCMEIPSA-N 2 2 237.347 0.289 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000358388150 176275058 /nfs/dbraw/zinc/27/50/58/176275058.db2.gz BTZZSYSIRLAEAZ-SCVCMEIPSA-N 2 2 237.347 0.289 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H](O)C1CCOCC1 ZINC000358164552 176276619 /nfs/dbraw/zinc/27/66/19/176276619.db2.gz ZCYIYRJMURZQQB-RTXFEEFZSA-N 2 2 242.363 0.314 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H](O)C1CCOCC1 ZINC000358164552 176276621 /nfs/dbraw/zinc/27/66/21/176276621.db2.gz ZCYIYRJMURZQQB-RTXFEEFZSA-N 2 2 242.363 0.314 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@]1(C)CCOC1 ZINC000336747928 176276626 /nfs/dbraw/zinc/27/66/26/176276626.db2.gz CXLVPXPGLBJLHZ-UTUOFQBUSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@]1(C)CCOC1 ZINC000336747928 176276627 /nfs/dbraw/zinc/27/66/27/176276627.db2.gz CXLVPXPGLBJLHZ-UTUOFQBUSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCn1cccn1 ZINC000336748297 176277071 /nfs/dbraw/zinc/27/70/71/176277071.db2.gz DEONHOUQHIARIZ-GHMZBOCLSA-N 2 2 208.309 0.423 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCn1cccn1 ZINC000336748297 176277072 /nfs/dbraw/zinc/27/70/72/176277072.db2.gz DEONHOUQHIARIZ-GHMZBOCLSA-N 2 2 208.309 0.423 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000358388139 176277350 /nfs/dbraw/zinc/27/73/50/176277350.db2.gz BTZZSYSIRLAEAZ-CKYFFXLPSA-N 2 2 237.347 0.289 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000358388139 176277351 /nfs/dbraw/zinc/27/73/51/176277351.db2.gz BTZZSYSIRLAEAZ-CKYFFXLPSA-N 2 2 237.347 0.289 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@](C)(O)C1CC1 ZINC000336764636 176277580 /nfs/dbraw/zinc/27/75/80/176277580.db2.gz QICWIBUPLXUYNM-YUSALJHKSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@](C)(O)C1CC1 ZINC000336764636 176277583 /nfs/dbraw/zinc/27/75/83/176277583.db2.gz QICWIBUPLXUYNM-YUSALJHKSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000336748762 176277793 /nfs/dbraw/zinc/27/77/93/176277793.db2.gz DRSYNHXZNVGMIM-GRYCIOLGSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000336748762 176277794 /nfs/dbraw/zinc/27/77/94/176277794.db2.gz DRSYNHXZNVGMIM-GRYCIOLGSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCN1CCC1 ZINC000336674662 176281564 /nfs/dbraw/zinc/28/15/64/176281564.db2.gz AXBZYNPMCTWDRN-YPMHNXCESA-N 2 2 223.364 0.764 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCN1CCC1 ZINC000336674662 176281566 /nfs/dbraw/zinc/28/15/66/176281566.db2.gz AXBZYNPMCTWDRN-YPMHNXCESA-N 2 2 223.364 0.764 20 0 BCADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CCO1 ZINC000289431069 176295442 /nfs/dbraw/zinc/29/54/42/176295442.db2.gz VSLUIWRMCPAOEZ-SNVBAGLBSA-N 2 2 209.293 0.683 20 0 BCADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CCO1 ZINC000289431069 176295446 /nfs/dbraw/zinc/29/54/46/176295446.db2.gz VSLUIWRMCPAOEZ-SNVBAGLBSA-N 2 2 209.293 0.683 20 0 BCADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)CC(=O)N1C ZINC000282219870 176296160 /nfs/dbraw/zinc/29/61/60/176296160.db2.gz OWSIINRWLYIXNI-SNVBAGLBSA-N 2 2 222.292 0.046 20 0 BCADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CC(=O)N1C ZINC000282219870 176296162 /nfs/dbraw/zinc/29/61/62/176296162.db2.gz OWSIINRWLYIXNI-SNVBAGLBSA-N 2 2 222.292 0.046 20 0 BCADLP C[C@@H]1C[NH2+]CCN1C(=O)CCn1cc[nH+]c1 ZINC000054370196 176325916 /nfs/dbraw/zinc/32/59/16/176325916.db2.gz TWICMWUBKNAKRB-SNVBAGLBSA-N 2 2 222.292 0.094 20 0 BCADLP C[C@H](C[NH2+][C@H]1CCOC[C@H]1C)[NH+](C)C ZINC000300871847 176340025 /nfs/dbraw/zinc/34/00/25/176340025.db2.gz PUGJGRRBFQEKJM-MXWKQRLJSA-N 2 2 200.326 0.951 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000336754181 176342143 /nfs/dbraw/zinc/34/21/43/176342143.db2.gz IAFYEGPQCKPKME-WHOHXGKFSA-N 2 2 212.337 0.951 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000336754181 176342144 /nfs/dbraw/zinc/34/21/44/176342144.db2.gz IAFYEGPQCKPKME-WHOHXGKFSA-N 2 2 212.337 0.951 20 0 BCADLP C[C@@H]1CO[C@@H](CO)C[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000336702725 176347652 /nfs/dbraw/zinc/34/76/52/176347652.db2.gz MKPNUXARRBAXRC-JHJVBQTASA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1CO[C@@H](CO)C[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000336702725 176347654 /nfs/dbraw/zinc/34/76/54/176347654.db2.gz MKPNUXARRBAXRC-JHJVBQTASA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1CO[C@@H](CO)C[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000336702725 176347656 /nfs/dbraw/zinc/34/76/56/176347656.db2.gz MKPNUXARRBAXRC-JHJVBQTASA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1CO[C@@H](CO)C[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000336702725 176347658 /nfs/dbraw/zinc/34/76/58/176347658.db2.gz MKPNUXARRBAXRC-JHJVBQTASA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1C[C@@H]([NH+](C)CCn2cncn2)CC[N@@H+]1C ZINC000336688276 176371474 /nfs/dbraw/zinc/37/14/74/176371474.db2.gz GZXZMSYRHMRLCB-NEPJUHHUSA-N 2 2 237.351 0.693 20 0 BCADLP C[C@@H]1C[C@@H]([NH+](C)CCn2cncn2)CC[N@H+]1C ZINC000336688276 176371476 /nfs/dbraw/zinc/37/14/76/176371476.db2.gz GZXZMSYRHMRLCB-NEPJUHHUSA-N 2 2 237.351 0.693 20 0 BCADLP C[C@@H]1C[C@@H]([N@H+](C)CCn2cncn2)CC[NH+]1C ZINC000336688276 176371478 /nfs/dbraw/zinc/37/14/78/176371478.db2.gz GZXZMSYRHMRLCB-NEPJUHHUSA-N 2 2 237.351 0.693 20 0 BCADLP C[C@@H]1C[C@@H]([N@@H+](C)CCn2cncn2)CC[NH+]1C ZINC000336688276 176371480 /nfs/dbraw/zinc/37/14/80/176371480.db2.gz GZXZMSYRHMRLCB-NEPJUHHUSA-N 2 2 237.351 0.693 20 0 BCADLP C[C@@H]1C[C@@H](O)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000343632261 176382998 /nfs/dbraw/zinc/38/29/98/176382998.db2.gz RWUPKSYGOHTVRF-GHMZBOCLSA-N 2 2 209.293 0.728 20 0 BCADLP C[C@@H]1C[C@@H](O)C[N@H+]1CCCn1cc[nH+]c1 ZINC000343632261 176382999 /nfs/dbraw/zinc/38/29/99/176382999.db2.gz RWUPKSYGOHTVRF-GHMZBOCLSA-N 2 2 209.293 0.728 20 0 BCADLP C[C@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)[NH+](C)C ZINC000360821716 176675106 /nfs/dbraw/zinc/67/51/06/176675106.db2.gz ZWJUPCFBCIBKSU-HTQZYQBOSA-N 2 2 235.278 0.050 20 0 BCADLP C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CC([NH3+])C2)C1 ZINC000336233514 177091742 /nfs/dbraw/zinc/09/17/42/177091742.db2.gz YLWIYMRGIKMWRX-UNXYVOJBSA-N 2 2 239.363 0.666 20 0 BCADLP C[C@H]1CCCN(C(=O)C[N@H+](C)C2CC([NH3+])C2)C1 ZINC000336233514 177091740 /nfs/dbraw/zinc/09/17/40/177091740.db2.gz YLWIYMRGIKMWRX-UNXYVOJBSA-N 2 2 239.363 0.666 20 0 BCADLP C[C@H]1CCC[N@H+](CC(=O)N(C)C2CC2)[C@@H]1C[NH3+] ZINC000043617117 177095892 /nfs/dbraw/zinc/09/58/92/177095892.db2.gz DJEOXCKSURQNKW-CMPLNLGQSA-N 2 2 239.363 0.666 20 0 BCADLP C[C@H]1CCC[N@@H+](CC(=O)N(C)C2CC2)[C@@H]1C[NH3+] ZINC000043617117 177095895 /nfs/dbraw/zinc/09/58/95/177095895.db2.gz DJEOXCKSURQNKW-CMPLNLGQSA-N 2 2 239.363 0.666 20 0 BCADLP C[C@H]1CC[NH2+][C@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000126989891 177176271 /nfs/dbraw/zinc/17/62/71/177176271.db2.gz XZGMNAJQYLHFRK-QWRGUYRKSA-N 2 2 236.319 0.387 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)CCO ZINC000309126218 177235553 /nfs/dbraw/zinc/23/55/53/177235553.db2.gz PRLUPHXOQIYNTL-QWRGUYRKSA-N 2 2 214.353 0.935 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)CCO ZINC000309126218 177235554 /nfs/dbraw/zinc/23/55/54/177235554.db2.gz PRLUPHXOQIYNTL-QWRGUYRKSA-N 2 2 214.353 0.935 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000336506041 177235608 /nfs/dbraw/zinc/23/56/08/177235608.db2.gz OZAJKTBKNFUXGS-AAEUAGOBSA-N 3 2 225.380 0.868 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000336506041 177235610 /nfs/dbraw/zinc/23/56/10/177235610.db2.gz OZAJKTBKNFUXGS-AAEUAGOBSA-N 3 2 225.380 0.868 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccn(C)n1 ZINC000336779654 177236266 /nfs/dbraw/zinc/23/62/66/177236266.db2.gz PASRAPZNLUOAKH-JQWIXIFHSA-N 2 2 222.336 0.502 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccn(C)n1 ZINC000336779654 177236268 /nfs/dbraw/zinc/23/62/68/177236268.db2.gz PASRAPZNLUOAKH-JQWIXIFHSA-N 2 2 222.336 0.502 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000309544238 177236431 /nfs/dbraw/zinc/23/64/31/177236431.db2.gz GMQNFUIJKKGHJK-AXFHLTTASA-N 2 2 223.324 0.206 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000309544238 177236433 /nfs/dbraw/zinc/23/64/33/177236433.db2.gz GMQNFUIJKKGHJK-AXFHLTTASA-N 2 2 223.324 0.206 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCOCC1CC1 ZINC000309094686 177236660 /nfs/dbraw/zinc/23/66/60/177236660.db2.gz CJLDGASGBAXFGE-JQWIXIFHSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCOCC1CC1 ZINC000309094686 177236661 /nfs/dbraw/zinc/23/66/61/177236661.db2.gz CJLDGASGBAXFGE-JQWIXIFHSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC(C)(C)O ZINC000336656054 177236777 /nfs/dbraw/zinc/23/67/77/177236777.db2.gz OFMXASAWYZIXCT-UWVGGRQHSA-N 2 2 200.326 0.687 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC(C)(C)O ZINC000336656054 177236779 /nfs/dbraw/zinc/23/67/79/177236779.db2.gz OFMXASAWYZIXCT-UWVGGRQHSA-N 2 2 200.326 0.687 20 0 BCADLP C[C@H](CN1CCOCC1)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000359939044 177236842 /nfs/dbraw/zinc/23/68/42/177236842.db2.gz BDKNKIAZFWLOFB-XQQFMLRXSA-N 2 2 241.379 0.247 20 0 BCADLP C[C@H](CN1CCOCC1)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000359939044 177236844 /nfs/dbraw/zinc/23/68/44/177236844.db2.gz BDKNKIAZFWLOFB-XQQFMLRXSA-N 2 2 241.379 0.247 20 0 BCADLP C[C@H]1CN(C)C[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000309744143 177237000 /nfs/dbraw/zinc/23/70/00/177237000.db2.gz FCBGGTXBLRFEEC-NWDGAFQWSA-N 2 2 222.336 0.813 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000309744143 177237001 /nfs/dbraw/zinc/23/70/01/177237001.db2.gz FCBGGTXBLRFEEC-NWDGAFQWSA-N 3 2 222.336 0.813 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000309744143 177237002 /nfs/dbraw/zinc/23/70/02/177237002.db2.gz FCBGGTXBLRFEEC-NWDGAFQWSA-N 3 2 222.336 0.813 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC000336779474 177237477 /nfs/dbraw/zinc/23/74/77/177237477.db2.gz OJZQCACYKYORQG-CMPLNLGQSA-N 2 2 222.336 0.502 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC000336779474 177237478 /nfs/dbraw/zinc/23/74/78/177237478.db2.gz OJZQCACYKYORQG-CMPLNLGQSA-N 2 2 222.336 0.502 20 0 BCADLP C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000358412111 177238467 /nfs/dbraw/zinc/23/84/67/177238467.db2.gz XZCNQTLZORUISN-DMDPSCGWSA-N 2 2 236.363 0.891 20 0 BCADLP C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000358412111 177238468 /nfs/dbraw/zinc/23/84/68/177238468.db2.gz XZCNQTLZORUISN-DMDPSCGWSA-N 2 2 236.363 0.891 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCCO ZINC000336760015 177240237 /nfs/dbraw/zinc/24/02/37/177240237.db2.gz LVSOHSGUYKMROU-JQWIXIFHSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCCO ZINC000336760015 177240239 /nfs/dbraw/zinc/24/02/39/177240239.db2.gz LVSOHSGUYKMROU-JQWIXIFHSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@@H]1O ZINC000343581643 177251636 /nfs/dbraw/zinc/25/16/36/177251636.db2.gz MTBIATNMZYNGNA-QWRGUYRKSA-N 2 2 209.293 0.586 20 0 BCADLP C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@@H]1O ZINC000343581643 177251638 /nfs/dbraw/zinc/25/16/38/177251638.db2.gz MTBIATNMZYNGNA-QWRGUYRKSA-N 2 2 209.293 0.586 20 0 BCADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)CCCO1 ZINC000179243118 177255378 /nfs/dbraw/zinc/25/53/78/177255378.db2.gz UVVLDYIAZVFIHE-NSHDSACASA-N 2 2 209.293 0.994 20 0 BCADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)CCCO1 ZINC000179243118 177255379 /nfs/dbraw/zinc/25/53/79/177255379.db2.gz UVVLDYIAZVFIHE-NSHDSACASA-N 2 2 209.293 0.994 20 0 BCADLP C[C@H]1C[N@H+](CCc2c[nH+]cn2C)CC(=O)N1C ZINC000297605052 177255463 /nfs/dbraw/zinc/25/54/63/177255463.db2.gz KFFUGOZEUMQXFI-JTQLQIEISA-N 2 2 236.319 0.125 20 0 BCADLP C[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CC(=O)N1C ZINC000297605052 177255465 /nfs/dbraw/zinc/25/54/65/177255465.db2.gz KFFUGOZEUMQXFI-JTQLQIEISA-N 2 2 236.319 0.125 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000065167261 177257345 /nfs/dbraw/zinc/25/73/45/177257345.db2.gz YQZFKZQDQXVWEJ-TUAOUCFPSA-N 2 2 239.319 0.353 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000065167261 177257346 /nfs/dbraw/zinc/25/73/46/177257346.db2.gz YQZFKZQDQXVWEJ-TUAOUCFPSA-N 2 2 239.319 0.353 20 0 BCADLP C[C@H]1CN(Cc2[nH+]ccn2C)C[C@H](C)[NH2+]1 ZINC000069629370 177271902 /nfs/dbraw/zinc/27/19/02/177271902.db2.gz NXGNQEMWBPINPA-UWVGGRQHSA-N 2 2 208.309 0.602 20 0 BCADLP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000334156191 177282431 /nfs/dbraw/zinc/28/24/31/177282431.db2.gz XRNQTIZRZRDEGI-IUCAKERBSA-N 2 2 247.289 0.052 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]Cc2ccnn2C)CC[N@@H+]1C ZINC000093232518 177333864 /nfs/dbraw/zinc/33/38/64/177333864.db2.gz CDQADHWRPKOBBI-QWRGUYRKSA-N 2 2 222.336 0.992 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]Cc2ccnn2C)CC[N@H+]1C ZINC000093232518 177333865 /nfs/dbraw/zinc/33/38/65/177333865.db2.gz CDQADHWRPKOBBI-QWRGUYRKSA-N 2 2 222.336 0.992 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1C[C@@H]1C ZINC000228702777 177382232 /nfs/dbraw/zinc/38/22/32/177382232.db2.gz DJPOVVUHYVMXHX-WHOHXGKFSA-N 2 2 212.337 0.999 20 0 BCADLP Cc1n[nH]cc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400405070 225169548 /nfs/dbraw/zinc/16/95/48/225169548.db2.gz RBFJWDWSQCGXHF-ONGXEEELSA-N 2 2 208.309 0.948 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000313645759 487645184 /nfs/dbraw/zinc/64/51/84/487645184.db2.gz WCKSTGYEUWBYNX-LBPRGKRZSA-N 2 2 239.319 0.011 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@](O)(CO)C1 ZINC000313645759 487645192 /nfs/dbraw/zinc/64/51/92/487645192.db2.gz WCKSTGYEUWBYNX-LBPRGKRZSA-N 2 2 239.319 0.011 20 0 BCADLP CCOC1CC[NH+](C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000383608653 487647795 /nfs/dbraw/zinc/64/77/95/487647795.db2.gz SCECTYWRHSVTLG-LBPRGKRZSA-N 2 2 244.379 0.800 20 0 BCADLP CCOC1CC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000383608653 487647799 /nfs/dbraw/zinc/64/77/99/487647799.db2.gz SCECTYWRHSVTLG-LBPRGKRZSA-N 2 2 244.379 0.800 20 0 BCADLP C[C@H]1CC[N@H+](CCNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492771455 226050761 /nfs/dbraw/zinc/05/07/61/226050761.db2.gz RULFSQJFMWERRM-QUCGXOGASA-N 2 2 248.330 0.881 20 0 BCADLP C[C@H]1CC[N@@H+](CCNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492771455 226050766 /nfs/dbraw/zinc/05/07/66/226050766.db2.gz RULFSQJFMWERRM-QUCGXOGASA-N 2 2 248.330 0.881 20 0 BCADLP C[C@H]1CC[N@H+](CCNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492771456 226051046 /nfs/dbraw/zinc/05/10/46/226051046.db2.gz RULFSQJFMWERRM-VUDBWIFFSA-N 2 2 248.330 0.881 20 0 BCADLP C[C@H]1CC[N@@H+](CCNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492771456 226051050 /nfs/dbraw/zinc/05/10/50/226051050.db2.gz RULFSQJFMWERRM-VUDBWIFFSA-N 2 2 248.330 0.881 20 0 BCADLP O=C(C=Cc1c[nH]c[nH+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000492899385 226078541 /nfs/dbraw/zinc/07/85/41/226078541.db2.gz MDJVKTXBUHCGCX-VSQXVHSFSA-N 2 2 246.314 0.730 20 0 BCADLP C[NH+](C)[C@H]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493293871 226177693 /nfs/dbraw/zinc/17/76/93/226177693.db2.gz MEDOJNGSGRAMDV-FJOGCWAESA-N 2 2 248.330 0.976 20 0 BCADLP O=C(/C=C/c1[nH]cc[nH+]1)NCC[N@H+]1CC=CCC1 ZINC000493073473 226118471 /nfs/dbraw/zinc/11/84/71/226118471.db2.gz SPBONBTVZDXLQX-SNAWJCMRSA-N 2 2 246.314 0.801 20 0 BCADLP O=C(/C=C/c1[nH]cc[nH+]1)NCC[N@@H+]1CC=CCC1 ZINC000493073473 226118473 /nfs/dbraw/zinc/11/84/73/226118473.db2.gz SPBONBTVZDXLQX-SNAWJCMRSA-N 2 2 246.314 0.801 20 0 BCADLP CN(C(=O)C=Cc1c[nH]c[nH+]1)C1CC[NH+](C)CC1 ZINC000493259613 226169189 /nfs/dbraw/zinc/16/91/89/226169189.db2.gz NWLMZPOUMYVEGJ-ARJAWSKDSA-N 2 2 248.330 0.976 20 0 BCADLP C[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C[NH+](C)C ZINC000493425594 226211415 /nfs/dbraw/zinc/21/14/15/226211415.db2.gz DLRGVVYFKSQJOX-UMCURTJPSA-N 2 2 236.319 0.737 20 0 BCADLP O=C(/C=C\c1[nH]cc[nH+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000493485846 226229508 /nfs/dbraw/zinc/22/95/08/226229508.db2.gz CJSSKCLALDQUPW-DLRQAJBASA-N 2 2 246.314 0.730 20 0 BCADLP Cn1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])n1 ZINC000564833912 322935391 /nfs/dbraw/zinc/93/53/91/322935391.db2.gz BRVVWYPFJWOIAU-GHMZBOCLSA-N 2 2 208.309 0.780 20 0 BCADLP C[N@H+](CCOCC1CC1)C[C@H]1C[NH2+]CCO1 ZINC000087399725 487653144 /nfs/dbraw/zinc/65/31/44/487653144.db2.gz MBRGRRRMHMYVHH-GFCCVEGCSA-N 2 2 228.336 0.333 20 0 BCADLP C[N@@H+](CCOCC1CC1)C[C@H]1C[NH2+]CCO1 ZINC000087399725 487653147 /nfs/dbraw/zinc/65/31/47/487653147.db2.gz MBRGRRRMHMYVHH-GFCCVEGCSA-N 2 2 228.336 0.333 20 0 BCADLP CC[N@@H+]1CCN(c2cc[nH+]cc2C(N)=O)C[C@@H]1C ZINC000680829843 487654482 /nfs/dbraw/zinc/65/44/82/487654482.db2.gz BQHMLJJDPPCKDI-JTQLQIEISA-N 2 2 248.330 0.711 20 0 BCADLP CC[N@H+]1CCN(c2cc[nH+]cc2C(N)=O)C[C@@H]1C ZINC000680829843 487654483 /nfs/dbraw/zinc/65/44/83/487654483.db2.gz BQHMLJJDPPCKDI-JTQLQIEISA-N 2 2 248.330 0.711 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H](C)C(=O)NCCF)n1C ZINC000568533123 322936643 /nfs/dbraw/zinc/93/66/43/322936643.db2.gz ICGGHZJKYAPDQC-QMMMGPOBSA-N 2 2 242.298 0.292 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)N(C)C)C1 ZINC000328398649 487674822 /nfs/dbraw/zinc/67/48/22/487674822.db2.gz ZMTGAUOKWWOOTE-NWDGAFQWSA-N 2 2 241.379 0.927 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)N(C)C)C1 ZINC000328398649 487674827 /nfs/dbraw/zinc/67/48/27/487674827.db2.gz ZMTGAUOKWWOOTE-NWDGAFQWSA-N 2 2 241.379 0.927 20 0 BCADLP CC[C@H]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653103785 487678589 /nfs/dbraw/zinc/67/85/89/487678589.db2.gz SAHBPLZQWHGVGG-WDEREUQCSA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@@H]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653103782 487678629 /nfs/dbraw/zinc/67/86/29/487678629.db2.gz SAHBPLZQWHGVGG-GHMZBOCLSA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653103784 487678691 /nfs/dbraw/zinc/67/86/91/487678691.db2.gz SAHBPLZQWHGVGG-QWRGUYRKSA-N 2 2 227.352 0.524 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCO[C@@H](C)C1 ZINC000384031440 487688752 /nfs/dbraw/zinc/68/87/52/487688752.db2.gz STYNNCKFPMNSBJ-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCO[C@@H](C)C1 ZINC000384031440 487688757 /nfs/dbraw/zinc/68/87/57/487688757.db2.gz STYNNCKFPMNSBJ-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000384031440 487688759 /nfs/dbraw/zinc/68/87/59/487688759.db2.gz STYNNCKFPMNSBJ-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCO[C@@H](C)C1 ZINC000384031440 487688763 /nfs/dbraw/zinc/68/87/63/487688763.db2.gz STYNNCKFPMNSBJ-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP C[C@@]1(O)CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667688503 487720742 /nfs/dbraw/zinc/72/07/42/487720742.db2.gz VHSOTYLEPZCQIF-GFCCVEGCSA-N 2 2 221.304 0.786 20 0 BCADLP C[C@@]1(O)CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667688503 487720746 /nfs/dbraw/zinc/72/07/46/487720746.db2.gz VHSOTYLEPZCQIF-GFCCVEGCSA-N 2 2 221.304 0.786 20 0 BCADLP CCCCOCC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000249893488 487725810 /nfs/dbraw/zinc/72/58/10/487725810.db2.gz TVNMVWWKSOUYSB-NWDGAFQWSA-N 2 2 230.352 0.851 20 0 BCADLP CCCCOCC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000249893488 487725813 /nfs/dbraw/zinc/72/58/13/487725813.db2.gz TVNMVWWKSOUYSB-NWDGAFQWSA-N 2 2 230.352 0.851 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H](CO)CCF ZINC000652018482 487730203 /nfs/dbraw/zinc/73/02/03/487730203.db2.gz USBUWNDAAIITPB-OPRDCNLKSA-N 2 2 204.289 0.247 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H](CO)CCF ZINC000652018482 487730207 /nfs/dbraw/zinc/73/02/07/487730207.db2.gz USBUWNDAAIITPB-OPRDCNLKSA-N 2 2 204.289 0.247 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H](CO)CCF ZINC000652018483 487730311 /nfs/dbraw/zinc/73/03/11/487730311.db2.gz USBUWNDAAIITPB-UTLUCORTSA-N 2 2 204.289 0.247 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H](CO)CCF ZINC000652018483 487730315 /nfs/dbraw/zinc/73/03/15/487730315.db2.gz USBUWNDAAIITPB-UTLUCORTSA-N 2 2 204.289 0.247 20 0 BCADLP C[N@@H+]1CCN(C(=O)C[C@@H]2C=CCC2)[C@H](C[NH3+])C1 ZINC000250371547 487731676 /nfs/dbraw/zinc/73/16/76/487731676.db2.gz IVNZLBRMUIKNDD-VXGBXAGGSA-N 2 2 237.347 0.444 20 0 BCADLP C[N@H+]1CCN(C(=O)C[C@@H]2C=CCC2)[C@H](C[NH3+])C1 ZINC000250371547 487731684 /nfs/dbraw/zinc/73/16/84/487731684.db2.gz IVNZLBRMUIKNDD-VXGBXAGGSA-N 2 2 237.347 0.444 20 0 BCADLP CC(C)([NH3+])CC(=O)NCCn1cc[nH+]c1 ZINC000082777048 487732427 /nfs/dbraw/zinc/73/24/27/487732427.db2.gz UVCURNUJMOGJOW-UHFFFAOYSA-N 2 2 210.281 0.127 20 0 BCADLP CC(C)OCC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000250579663 487732994 /nfs/dbraw/zinc/73/29/94/487732994.db2.gz HNFJCOIELDEOPZ-QWRGUYRKSA-N 2 2 216.325 0.459 20 0 BCADLP CC(C)OCC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000250579663 487733000 /nfs/dbraw/zinc/73/30/00/487733000.db2.gz HNFJCOIELDEOPZ-QWRGUYRKSA-N 2 2 216.325 0.459 20 0 BCADLP CCOCCC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000250565797 487733113 /nfs/dbraw/zinc/73/31/13/487733113.db2.gz VBOPOURMUHDCMR-QWRGUYRKSA-N 2 2 216.325 0.461 20 0 BCADLP CCOCCC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000250565797 487733119 /nfs/dbraw/zinc/73/31/19/487733119.db2.gz VBOPOURMUHDCMR-QWRGUYRKSA-N 2 2 216.325 0.461 20 0 BCADLP Cn1ncnc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000088580882 487735217 /nfs/dbraw/zinc/73/52/17/487735217.db2.gz DYPLENJNJYMBDY-GFCCVEGCSA-N 2 2 249.362 0.779 20 0 BCADLP COC[C@H](C)[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000251000754 487745904 /nfs/dbraw/zinc/74/59/04/487745904.db2.gz PJDHEXKXMXOFSY-LPEHRKFASA-N 2 2 202.298 0.069 20 0 BCADLP COC[C@H](C)[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000251000754 487745908 /nfs/dbraw/zinc/74/59/08/487745908.db2.gz PJDHEXKXMXOFSY-LPEHRKFASA-N 2 2 202.298 0.069 20 0 BCADLP CC(C)[C@@H](C)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000251269298 487752222 /nfs/dbraw/zinc/75/22/22/487752222.db2.gz BJNOBEZSNBBHPC-GHMZBOCLSA-N 2 2 200.326 0.951 20 0 BCADLP CC(C)[C@@H](C)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000251269298 487752227 /nfs/dbraw/zinc/75/22/27/487752227.db2.gz BJNOBEZSNBBHPC-GHMZBOCLSA-N 2 2 200.326 0.951 20 0 BCADLP Cn1ncc2c1nc[nH+]c2N[C@H]1CCC[NH2+]CC1 ZINC000226473360 487752729 /nfs/dbraw/zinc/75/27/29/487752729.db2.gz YDTXOJIENQPYTG-VIFPVBQESA-N 2 2 246.318 0.917 20 0 BCADLP COC[C@@](C)(CO)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000679118203 487767046 /nfs/dbraw/zinc/76/70/46/487767046.db2.gz UDACEXJLMURESU-CYBMUJFWSA-N 2 2 249.314 0.821 20 0 BCADLP CO[C@@H](C)C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000223952394 487806376 /nfs/dbraw/zinc/80/63/76/487806376.db2.gz LYTFZAUGFMREEX-GARJFASQSA-N 2 2 216.325 0.378 20 0 BCADLP CC[C@H]1C[N@H+](CC(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000251911441 487806846 /nfs/dbraw/zinc/80/68/46/487806846.db2.gz XSWUYOAFIQPLHK-GXSJLCMTSA-N 2 2 225.336 0.324 20 0 BCADLP CC[C@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000251911441 487806851 /nfs/dbraw/zinc/80/68/51/487806851.db2.gz XSWUYOAFIQPLHK-GXSJLCMTSA-N 2 2 225.336 0.324 20 0 BCADLP CCCN1CC[N@H+](CCC[NH3+])C(C)(C)C1=O ZINC000414754910 487822029 /nfs/dbraw/zinc/82/20/29/487822029.db2.gz GQNAWWRWQIUIJK-UHFFFAOYSA-N 2 2 227.352 0.668 20 0 BCADLP CCCN1CC[N@@H+](CCC[NH3+])C(C)(C)C1=O ZINC000414754910 487822034 /nfs/dbraw/zinc/82/20/34/487822034.db2.gz GQNAWWRWQIUIJK-UHFFFAOYSA-N 2 2 227.352 0.668 20 0 BCADLP c1cn(CCC[N@@H+]2CC[C@@H](n3cncn3)C2)c[nH+]1 ZINC000681604067 487822888 /nfs/dbraw/zinc/82/28/88/487822888.db2.gz ZJQLPFNLCWCDAC-GFCCVEGCSA-N 2 2 246.318 0.812 20 0 BCADLP c1cn(CCC[N@H+]2CC[C@@H](n3cncn3)C2)c[nH+]1 ZINC000681604067 487822892 /nfs/dbraw/zinc/82/28/92/487822892.db2.gz ZJQLPFNLCWCDAC-GFCCVEGCSA-N 2 2 246.318 0.812 20 0 BCADLP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@H]2COCCO2)C1 ZINC000252465144 487825078 /nfs/dbraw/zinc/82/50/78/487825078.db2.gz WGILQNVIBQICBE-STQMWFEESA-N 2 2 242.363 0.864 20 0 BCADLP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@H]2COCCO2)C1 ZINC000252465144 487825085 /nfs/dbraw/zinc/82/50/85/487825085.db2.gz WGILQNVIBQICBE-STQMWFEESA-N 2 2 242.363 0.864 20 0 BCADLP C[C@@H](C(=O)N1CC[N@H+](C)[C@H](C)C1)[NH+](C)C ZINC000820295629 587041809 /nfs/dbraw/zinc/04/18/09/587041809.db2.gz MGPKINPEVCEHMA-ZJUUUORDSA-N 2 2 213.325 0.099 20 0 BCADLP C[C@@H](C(=O)N1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000820295629 587041811 /nfs/dbraw/zinc/04/18/11/587041811.db2.gz MGPKINPEVCEHMA-ZJUUUORDSA-N 2 2 213.325 0.099 20 0 BCADLP CC[N@H+](Cc1c[nH+]c(C)n1C)[C@H]1CCNC1=O ZINC000668103463 487838865 /nfs/dbraw/zinc/83/88/65/487838865.db2.gz LMYKHBMYMXETTP-NSHDSACASA-N 2 2 236.319 0.439 20 0 BCADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)[C@H]1CCNC1=O ZINC000668103463 487838872 /nfs/dbraw/zinc/83/88/72/487838872.db2.gz LMYKHBMYMXETTP-NSHDSACASA-N 2 2 236.319 0.439 20 0 BCADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000495075408 528824241 /nfs/dbraw/zinc/82/42/41/528824241.db2.gz QTGYHEQFOKYQOW-NSHDSACASA-N 2 2 241.379 0.973 20 0 BCADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000495075408 528824243 /nfs/dbraw/zinc/82/42/43/528824243.db2.gz QTGYHEQFOKYQOW-NSHDSACASA-N 2 2 241.379 0.973 20 0 BCADLP [NH3+]CCC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000666627544 487848367 /nfs/dbraw/zinc/84/83/67/487848367.db2.gz ATDONKSHOXSSBJ-JTQLQIEISA-N 2 2 208.309 0.938 20 0 BCADLP [NH3+]CCC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000666627544 487848377 /nfs/dbraw/zinc/84/83/77/487848377.db2.gz ATDONKSHOXSSBJ-JTQLQIEISA-N 2 2 208.309 0.938 20 0 BCADLP Cc1ccnc(NC(=O)C[N@H+](C)CCC[NH3+])c1 ZINC000666636295 487848196 /nfs/dbraw/zinc/84/81/96/487848196.db2.gz QIJYDHOVAJAYLE-UHFFFAOYSA-N 2 2 236.319 0.609 20 0 BCADLP Cc1ccnc(NC(=O)C[N@@H+](C)CCC[NH3+])c1 ZINC000666636295 487848200 /nfs/dbraw/zinc/84/82/00/487848200.db2.gz QIJYDHOVAJAYLE-UHFFFAOYSA-N 2 2 236.319 0.609 20 0 BCADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000373119960 487859954 /nfs/dbraw/zinc/85/99/54/487859954.db2.gz CXNWEMYOGWSUQB-KOLCDFICSA-N 2 2 236.319 0.297 20 0 BCADLP COC(=O)CCC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000373144258 487861705 /nfs/dbraw/zinc/86/17/05/487861705.db2.gz ZNMLKNPJZJMEFO-NEPJUHHUSA-N 2 2 240.347 0.966 20 0 BCADLP COC(=O)CCC[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000373144258 487861708 /nfs/dbraw/zinc/86/17/08/487861708.db2.gz ZNMLKNPJZJMEFO-NEPJUHHUSA-N 2 2 240.347 0.966 20 0 BCADLP COC(=O)CCC[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000373144258 487861712 /nfs/dbraw/zinc/86/17/12/487861712.db2.gz ZNMLKNPJZJMEFO-NEPJUHHUSA-N 2 2 240.347 0.966 20 0 BCADLP COC(=O)CCC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000373144258 487861715 /nfs/dbraw/zinc/86/17/15/487861715.db2.gz ZNMLKNPJZJMEFO-NEPJUHHUSA-N 2 2 240.347 0.966 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000666697390 487862130 /nfs/dbraw/zinc/86/21/30/487862130.db2.gz ZCOBGVOJZRYOGY-VXGBXAGGSA-N 2 2 237.351 0.898 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000666697390 487862133 /nfs/dbraw/zinc/86/21/33/487862133.db2.gz ZCOBGVOJZRYOGY-VXGBXAGGSA-N 2 2 237.351 0.898 20 0 BCADLP OC[C@H]1[C@@H]2C[N@H+](Cc3c[nH+]c4n3CCC4)C[C@H]12 ZINC000668185407 487868613 /nfs/dbraw/zinc/86/86/13/487868613.db2.gz LCTVXCNSIXZCNQ-GDNZZTSVSA-N 2 2 233.315 0.499 20 0 BCADLP OC[C@H]1[C@@H]2C[N@@H+](Cc3c[nH+]c4n3CCC4)C[C@H]12 ZINC000668185407 487868616 /nfs/dbraw/zinc/86/86/16/487868616.db2.gz LCTVXCNSIXZCNQ-GDNZZTSVSA-N 2 2 233.315 0.499 20 0 BCADLP COC1(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CCOCC1 ZINC000676571905 487874756 /nfs/dbraw/zinc/87/47/56/487874756.db2.gz XWAHKDZPOMVNHG-VXGBXAGGSA-N 2 2 242.363 0.722 20 0 BCADLP COC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CCOCC1 ZINC000676571905 487874762 /nfs/dbraw/zinc/87/47/62/487874762.db2.gz XWAHKDZPOMVNHG-VXGBXAGGSA-N 2 2 242.363 0.722 20 0 BCADLP C([NH2+][C@H]1CCC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000666770738 487877627 /nfs/dbraw/zinc/87/76/27/487877627.db2.gz UKGVRBAAEWPFDI-RYUDHWBXSA-N 3 2 211.353 0.860 20 0 BCADLP C[NH2+]CC[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000666777103 487878610 /nfs/dbraw/zinc/87/86/10/487878610.db2.gz AOEWJKFHLPMJKJ-UHFFFAOYSA-N 2 2 247.342 0.888 20 0 BCADLP CCOCCOCC[N@@H+](C)C1(C[NH3+])CCC1 ZINC000923363172 644388853 /nfs/dbraw/zinc/38/88/53/644388853.db2.gz VXJRVVNZLAFSDL-UHFFFAOYSA-N 2 2 230.352 0.853 20 0 BCADLP CCOC[C@@H](O)C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000676702325 487895790 /nfs/dbraw/zinc/89/57/90/487895790.db2.gz SNAPGLNVRJJTTH-STQMWFEESA-N 2 2 244.379 0.846 20 0 BCADLP CCOC[C@@H](O)C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000676702325 487895792 /nfs/dbraw/zinc/89/57/92/487895792.db2.gz SNAPGLNVRJJTTH-STQMWFEESA-N 2 2 244.379 0.846 20 0 BCADLP CCOC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000676702320 487895691 /nfs/dbraw/zinc/89/56/91/487895691.db2.gz SNAPGLNVRJJTTH-OLZOCXBDSA-N 2 2 244.379 0.846 20 0 BCADLP CCOC[C@@H](O)C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000676702320 487895697 /nfs/dbraw/zinc/89/56/97/487895697.db2.gz SNAPGLNVRJJTTH-OLZOCXBDSA-N 2 2 244.379 0.846 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)CCS1 ZINC000133030768 487908255 /nfs/dbraw/zinc/90/82/55/487908255.db2.gz UYIHKEUCFBABKT-WDEREUQCSA-N 2 2 230.377 0.802 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)CCS1 ZINC000133030768 487908261 /nfs/dbraw/zinc/90/82/61/487908261.db2.gz UYIHKEUCFBABKT-WDEREUQCSA-N 2 2 230.377 0.802 20 0 BCADLP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666948177 487912359 /nfs/dbraw/zinc/91/23/59/487912359.db2.gz TXVHYWAVBMOCDR-DCAQKATOSA-N 2 2 226.299 0.561 20 0 BCADLP CC[C@@H](COC)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666948003 487912468 /nfs/dbraw/zinc/91/24/68/487912468.db2.gz OWXVAVCQBWYKQB-GUBZILKMSA-N 2 2 204.289 0.701 20 0 BCADLP C[C@H]([NH3+])CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000194862296 487921192 /nfs/dbraw/zinc/92/11/92/487921192.db2.gz RTOINRLESNMZJQ-VIFPVBQESA-N 2 2 232.287 0.340 20 0 BCADLP Cc1cc(C[NH2+][C@](C)(C[NH3+])C2CC2)nn1C ZINC000652335888 487924475 /nfs/dbraw/zinc/92/44/75/487924475.db2.gz OKSUIYZGNKDMBK-GFCCVEGCSA-N 2 2 222.336 0.946 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000652335779 487924716 /nfs/dbraw/zinc/92/47/16/487924716.db2.gz GPHUBXPADACBFN-LLVKDONJSA-N 2 2 234.347 0.871 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000652335779 487924720 /nfs/dbraw/zinc/92/47/20/487924720.db2.gz GPHUBXPADACBFN-LLVKDONJSA-N 2 2 234.347 0.871 20 0 BCADLP C[N@H+](CC[NH3+])Cc1ccccc1-n1cncn1 ZINC000667043286 487932948 /nfs/dbraw/zinc/93/29/48/487932948.db2.gz OTNNKDUSILXBMR-UHFFFAOYSA-N 2 2 231.303 0.658 20 0 BCADLP C[N@@H+](CC[NH3+])Cc1ccccc1-n1cncn1 ZINC000667043286 487932954 /nfs/dbraw/zinc/93/29/54/487932954.db2.gz OTNNKDUSILXBMR-UHFFFAOYSA-N 2 2 231.303 0.658 20 0 BCADLP CN(CC[NH3+])Cc1c[nH+]c2ccccn12 ZINC000667042288 487933592 /nfs/dbraw/zinc/93/35/92/487933592.db2.gz WLLXUGMNYRJLPY-UHFFFAOYSA-N 2 2 204.277 0.725 20 0 BCADLP [NH3+]CC1(CC(=O)NCCn2cc[nH+]c2)CC1 ZINC000569455446 322966687 /nfs/dbraw/zinc/96/66/87/322966687.db2.gz HAVXHAHNWZROIU-UHFFFAOYSA-N 2 2 222.292 0.128 20 0 BCADLP Cc1cc(NC(=O)NC[C@@H]2CCC[NH2+]2)c(C)c[nH+]1 ZINC000560996677 322993979 /nfs/dbraw/zinc/99/39/79/322993979.db2.gz GGXQJXCDXNOBCC-NSHDSACASA-N 2 2 248.330 0.994 20 0 BCADLP Cn1c[nH+]cc1CN1CCC2(CC[NH2+]2)CC1 ZINC000565043475 323005745 /nfs/dbraw/zinc/00/57/45/323005745.db2.gz FVVIRKXOUCWNHM-UHFFFAOYSA-N 2 2 220.320 0.748 20 0 BCADLP CCO[C@@H]1C[C@H]1[NH2+]C1CC[NH+](CCOC)CC1 ZINC000562487879 323021837 /nfs/dbraw/zinc/02/18/37/323021837.db2.gz QXCNQZSGLHDGTC-CHWSQXEVSA-N 2 2 242.363 0.864 20 0 BCADLP C[C@@H](CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)n1cc[nH+]c1 ZINC000565151090 323032968 /nfs/dbraw/zinc/03/29/68/323032968.db2.gz PNDNIRBAZVHTLJ-UXCLJVHYSA-N 2 2 234.303 0.168 20 0 BCADLP Cn1ccc(C[NH2+]CCC[NH+]2CCC2)n1 ZINC000569745019 323039701 /nfs/dbraw/zinc/03/97/01/323039701.db2.gz ZFJVIIDJFPHPMU-UHFFFAOYSA-N 2 2 208.309 0.606 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCCCCO)n1C ZINC000570060801 323048856 /nfs/dbraw/zinc/04/88/56/323048856.db2.gz SCBBGRKHZWXHLX-UHFFFAOYSA-N 2 2 211.309 0.981 20 0 BCADLP C[NH+](C)CCCCC(=O)NCCn1cc[nH+]c1 ZINC000570184566 323052432 /nfs/dbraw/zinc/05/24/32/323052432.db2.gz JBBTYRATDLWMOC-UHFFFAOYSA-N 2 2 238.335 0.731 20 0 BCADLP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1csnn1 ZINC000570331913 323056255 /nfs/dbraw/zinc/05/62/55/323056255.db2.gz DCLBEQQRKFSFDC-NKWVEPMBSA-N 2 2 200.311 0.754 20 0 BCADLP CC[C@@H]([NH3+])CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000570698330 323067677 /nfs/dbraw/zinc/06/76/77/323067677.db2.gz FNCKRTVSYOEIRG-MRVPVSSYSA-N 2 2 225.296 0.288 20 0 BCADLP CC[C@@H]([NH3+])CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000570698330 323067678 /nfs/dbraw/zinc/06/76/78/323067678.db2.gz FNCKRTVSYOEIRG-MRVPVSSYSA-N 2 2 225.296 0.288 20 0 BCADLP COc1ccc[nH+]c1NC[C@@](C)(O)C[NH+](C)C ZINC000227931345 323077262 /nfs/dbraw/zinc/07/72/62/323077262.db2.gz UKQXHJDFCSPATB-GFCCVEGCSA-N 2 2 239.319 0.815 20 0 BCADLP [NH3+]CC[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000563153585 323095862 /nfs/dbraw/zinc/09/58/62/323095862.db2.gz BWTHRYJHBNHWMT-NWDGAFQWSA-N 3 2 227.352 0.163 20 0 BCADLP [NH3+]CC[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000563153587 323095908 /nfs/dbraw/zinc/09/59/08/323095908.db2.gz BWTHRYJHBNHWMT-VXGBXAGGSA-N 3 2 227.352 0.163 20 0 BCADLP [NH3+][C@H]1C[C@@H](C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000563201587 323101443 /nfs/dbraw/zinc/10/14/43/323101443.db2.gz ZTMZBFFBJOAQRL-GARJFASQSA-N 2 2 248.330 0.853 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000570959347 323101543 /nfs/dbraw/zinc/10/15/43/323101543.db2.gz CFLJEFLCJNUDTO-RNFRBKRXSA-N 2 2 209.249 0.131 20 0 BCADLP CN(CC[N@H+](C)C1CC1)C(=O)Cn1cc[nH+]c1 ZINC000570988157 323103060 /nfs/dbraw/zinc/10/30/60/323103060.db2.gz QUHNADOSWQTZEG-UHFFFAOYSA-N 2 2 236.319 0.436 20 0 BCADLP CN(CC[N@@H+](C)C1CC1)C(=O)Cn1cc[nH+]c1 ZINC000570988157 323103061 /nfs/dbraw/zinc/10/30/61/323103061.db2.gz QUHNADOSWQTZEG-UHFFFAOYSA-N 2 2 236.319 0.436 20 0 BCADLP COc1ccnc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000563422675 323124268 /nfs/dbraw/zinc/12/42/68/323124268.db2.gz ACTAOVWJUMFKJZ-NXEZZACHSA-N 2 2 236.319 0.845 20 0 BCADLP CC[C@@H](C(=O)N[C@H](C)c1[nH]cc[nH+]1)[NH+](C)C ZINC000563413461 323124870 /nfs/dbraw/zinc/12/48/70/323124870.db2.gz OSZBYTXRUNSOGJ-BDAKNGLRSA-N 2 2 224.308 0.927 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H](C)Cn2cncn2)n1C ZINC000571179548 323137604 /nfs/dbraw/zinc/13/76/04/323137604.db2.gz RRIFHNUEBYXDJJ-SECBINFHSA-N 2 2 234.307 0.498 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2nnc3n2CCC3)C1 ZINC000571226605 323138885 /nfs/dbraw/zinc/13/88/85/323138885.db2.gz RPHOIIKIGNAFRK-NXEZZACHSA-N 2 2 235.335 0.584 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536067583 323195605 /nfs/dbraw/zinc/19/56/05/323195605.db2.gz TWMBMULBCGPUFN-SNVBAGLBSA-N 2 2 236.319 0.298 20 0 BCADLP CN(C)C(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536067583 323195606 /nfs/dbraw/zinc/19/56/06/323195606.db2.gz TWMBMULBCGPUFN-SNVBAGLBSA-N 2 2 236.319 0.298 20 0 BCADLP Cn1cc([C@@H]2C[N@H+](CC3(C)CC3)C[C@H]2[NH3+])cn1 ZINC000563951747 323332321 /nfs/dbraw/zinc/33/23/21/323332321.db2.gz NCYNHXPXVQRPHY-NWDGAFQWSA-N 2 2 234.347 0.947 20 0 BCADLP Cn1cc([C@@H]2C[N@@H+](CC3(C)CC3)C[C@H]2[NH3+])cn1 ZINC000563951747 323332326 /nfs/dbraw/zinc/33/23/26/323332326.db2.gz NCYNHXPXVQRPHY-NWDGAFQWSA-N 2 2 234.347 0.947 20 0 BCADLP C[C@H]1CC[NH2+][C@H](C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000417781932 487958201 /nfs/dbraw/zinc/95/82/01/487958201.db2.gz KSXNDFZCUBMDEN-WPRPVWTQSA-N 2 2 234.303 0.990 20 0 BCADLP Cc1cccn2cc(CCNC(=O)[C@@H](C)[NH3+])[nH+]c12 ZINC000083887929 487959000 /nfs/dbraw/zinc/95/90/00/487959000.db2.gz KCPBGIXVNVTFNS-SNVBAGLBSA-N 2 2 246.314 0.649 20 0 BCADLP COCC[N@H+](CCO)CCCn1cc[nH+]c1 ZINC000162516481 324140010 /nfs/dbraw/zinc/14/00/10/324140010.db2.gz VTGMBPOOGVABLJ-UHFFFAOYSA-N 2 2 227.308 0.214 20 0 BCADLP COCC[N@@H+](CCO)CCCn1cc[nH+]c1 ZINC000162516481 324140013 /nfs/dbraw/zinc/14/00/13/324140013.db2.gz VTGMBPOOGVABLJ-UHFFFAOYSA-N 2 2 227.308 0.214 20 0 BCADLP CCn1ncc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])n1 ZINC000530213076 324529118 /nfs/dbraw/zinc/52/91/18/324529118.db2.gz UOUAJDJBKNKEOL-ONGXEEELSA-N 2 2 223.324 0.515 20 0 BCADLP C[C@@H]([NH2+][C@H]1Cc2ccccc2NC1=O)C1C[NH2+]C1 ZINC000530221355 324539267 /nfs/dbraw/zinc/53/92/67/324539267.db2.gz DRJMEPLYPJZKKE-RNCFNFMXSA-N 2 2 245.326 0.747 20 0 BCADLP Nc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cn1 ZINC000647546566 487965720 /nfs/dbraw/zinc/96/57/20/487965720.db2.gz PMGFNSPCYLFOBU-SNVBAGLBSA-N 2 2 206.293 0.505 20 0 BCADLP CCc1nncn1CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000546677866 325300716 /nfs/dbraw/zinc/30/07/16/325300716.db2.gz PITFYPBHAYVXCP-QWRGUYRKSA-N 2 2 237.351 0.380 20 0 BCADLP CCc1nncn1CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000546677866 325300718 /nfs/dbraw/zinc/30/07/18/325300718.db2.gz PITFYPBHAYVXCP-QWRGUYRKSA-N 2 2 237.351 0.380 20 0 BCADLP C[C@@H](O)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000133700546 325310741 /nfs/dbraw/zinc/31/07/41/325310741.db2.gz ZFKFLMFPSVKJIE-GMTAPVOTSA-N 2 2 212.337 0.972 20 0 BCADLP C[C@@H](O)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000133700546 325310742 /nfs/dbraw/zinc/31/07/42/325310742.db2.gz ZFKFLMFPSVKJIE-GMTAPVOTSA-N 2 2 212.337 0.972 20 0 BCADLP C[C@@H](CC[NH+](C)C)NC(=O)Cc1c[nH+]cn1C ZINC000547540815 325371673 /nfs/dbraw/zinc/37/16/73/325371673.db2.gz VIXPKKQWWMFWRJ-JTQLQIEISA-N 2 2 238.335 0.419 20 0 BCADLP C[NH+](C)C1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000134984641 325386496 /nfs/dbraw/zinc/38/64/96/325386496.db2.gz AOKMVZUUHOIDIH-JTQLQIEISA-N 2 2 248.330 0.218 20 0 BCADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ncnn1C ZINC000565668392 325941635 /nfs/dbraw/zinc/94/16/35/325941635.db2.gz YAOLOVNFUCVVAW-IVZWLZJFSA-N 2 2 223.324 0.736 20 0 BCADLP Cc1cc(NC(=O)N[C@@H](C[NH3+])C2CC2)c(C)c[nH+]1 ZINC000565704485 325945946 /nfs/dbraw/zinc/94/59/46/325945946.db2.gz CZCJUYHLYHKZLC-LBPRGKRZSA-N 2 2 248.330 0.979 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@H](C)CCO)n1C ZINC000566021070 325982450 /nfs/dbraw/zinc/98/24/50/325982450.db2.gz MLCFCIMLAONBEJ-SECBINFHSA-N 2 2 211.309 0.837 20 0 BCADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nc(C2CC2)nn1C ZINC000566244467 326021976 /nfs/dbraw/zinc/02/19/76/326021976.db2.gz XFAYGMLQGQSNOV-UWVGGRQHSA-N 2 2 249.362 0.862 20 0 BCADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nc(C2CC2)nn1C ZINC000566244467 326021979 /nfs/dbraw/zinc/02/19/79/326021979.db2.gz XFAYGMLQGQSNOV-UWVGGRQHSA-N 2 2 249.362 0.862 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000566245390 326022503 /nfs/dbraw/zinc/02/25/03/326022503.db2.gz PBSIOPVWNFCFTI-WDEREUQCSA-N 3 2 227.352 0.021 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000566245390 326022507 /nfs/dbraw/zinc/02/25/07/326022507.db2.gz PBSIOPVWNFCFTI-WDEREUQCSA-N 3 2 227.352 0.021 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000566245389 326022817 /nfs/dbraw/zinc/02/28/17/326022817.db2.gz PBSIOPVWNFCFTI-QWRGUYRKSA-N 3 2 227.352 0.021 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000566245389 326022820 /nfs/dbraw/zinc/02/28/20/326022820.db2.gz PBSIOPVWNFCFTI-QWRGUYRKSA-N 3 2 227.352 0.021 20 0 BCADLP [NH3+][C@H]1C[C@@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000566288970 326029206 /nfs/dbraw/zinc/02/92/06/326029206.db2.gz NDRIGBMNFBZSTH-AOOOYVTPSA-N 2 2 222.292 0.127 20 0 BCADLP [NH3+]CCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000566302738 326031255 /nfs/dbraw/zinc/03/12/55/326031255.db2.gz QQEMBHKHXQPLBE-SNVBAGLBSA-N 3 2 208.309 0.938 20 0 BCADLP [NH3+]CCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000566302738 326031259 /nfs/dbraw/zinc/03/12/59/326031259.db2.gz QQEMBHKHXQPLBE-SNVBAGLBSA-N 3 2 208.309 0.938 20 0 BCADLP C[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000566404596 326038688 /nfs/dbraw/zinc/03/86/88/326038688.db2.gz QFFBGKFNXNSRNK-SNVBAGLBSA-N 2 2 224.308 0.560 20 0 BCADLP C[C@H](N1CC[NH+](CCC[NH3+])CC1)C(F)(F)F ZINC000566564323 326064845 /nfs/dbraw/zinc/06/48/45/326064845.db2.gz OBCAAVZKSKIJEA-VIFPVBQESA-N 2 2 239.285 0.904 20 0 BCADLP O=C(Nc1cc[nH+]cc1O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655609330 487971493 /nfs/dbraw/zinc/97/14/93/487971493.db2.gz OIGWROPVQRYYFS-TVQRCGJNSA-N 2 2 247.298 0.537 20 0 BCADLP C[NH+](C)[C@]1(C[NH2+]CC2(O)CCC2)CCSC1 ZINC000566733156 326077349 /nfs/dbraw/zinc/07/73/49/326077349.db2.gz MYUYLTWGKHNRSB-NSHDSACASA-N 2 2 244.404 0.928 20 0 BCADLP CCOCC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000566850763 326087612 /nfs/dbraw/zinc/08/76/12/326087612.db2.gz BXJFGCJFXFOWEX-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP CCOCC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000566850763 326087615 /nfs/dbraw/zinc/08/76/15/326087615.db2.gz BXJFGCJFXFOWEX-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP CC[NH2+]CCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000567159323 326125661 /nfs/dbraw/zinc/12/56/61/326125661.db2.gz GBPQUCCNUZKTFK-CHWSQXEVSA-N 3 2 241.379 0.343 20 0 BCADLP C[N@@H+]1CCO[C@@H](CSCCn2cc[nH+]c2)C1 ZINC000567166317 326127428 /nfs/dbraw/zinc/12/74/28/326127428.db2.gz ZEEFKXKSLNPXHA-LLVKDONJSA-N 2 2 241.360 0.947 20 0 BCADLP C[N@H+]1CCO[C@@H](CSCCn2cc[nH+]c2)C1 ZINC000567166317 326127431 /nfs/dbraw/zinc/12/74/31/326127431.db2.gz ZEEFKXKSLNPXHA-LLVKDONJSA-N 2 2 241.360 0.947 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CO1 ZINC000567235507 326147972 /nfs/dbraw/zinc/14/79/72/326147972.db2.gz MYCITZRPHUCXRK-IXOXFDKPSA-N 2 2 240.347 0.520 20 0 BCADLP C[C@H](CNC(=O)C[NH2+]C1CC1)Cn1cc[nH+]c1 ZINC000154632882 326154543 /nfs/dbraw/zinc/15/45/43/326154543.db2.gz MOVUJOQEZMAUSL-SNVBAGLBSA-N 2 2 236.319 0.387 20 0 BCADLP CC(C)[N@H+](C)CC(=O)NCCc1c[nH+]cn1C ZINC000155591385 326203275 /nfs/dbraw/zinc/20/32/75/326203275.db2.gz VXUKHSPNMZMOMR-UHFFFAOYSA-N 2 2 238.335 0.419 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)NCCc1c[nH+]cn1C ZINC000155591385 326203276 /nfs/dbraw/zinc/20/32/76/326203276.db2.gz VXUKHSPNMZMOMR-UHFFFAOYSA-N 2 2 238.335 0.419 20 0 BCADLP CS(=O)(=O)CC1(C[NH2+]CC2([NH3+])CCC2)CC1 ZINC000567502517 326205961 /nfs/dbraw/zinc/20/59/61/326205961.db2.gz WCPJXTDHOVTHAS-UHFFFAOYSA-N 2 2 246.376 0.282 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCO[C@H](CF)C1 ZINC000567747857 326254598 /nfs/dbraw/zinc/25/45/98/326254598.db2.gz BLMDZZRFEGZNRD-VXGBXAGGSA-N 2 2 248.342 0.359 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCO[C@H](CF)C1 ZINC000567747857 326254599 /nfs/dbraw/zinc/25/45/99/326254599.db2.gz BLMDZZRFEGZNRD-VXGBXAGGSA-N 2 2 248.342 0.359 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCO[C@H](CF)C1 ZINC000567747857 326254601 /nfs/dbraw/zinc/25/46/01/326254601.db2.gz BLMDZZRFEGZNRD-VXGBXAGGSA-N 2 2 248.342 0.359 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCO[C@H](CF)C1 ZINC000567747857 326254603 /nfs/dbraw/zinc/25/46/03/326254603.db2.gz BLMDZZRFEGZNRD-VXGBXAGGSA-N 2 2 248.342 0.359 20 0 BCADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000313248521 326260206 /nfs/dbraw/zinc/26/02/06/326260206.db2.gz BRKBAUUIBAZTFJ-MNOVXSKESA-N 3 2 222.336 0.822 20 0 BCADLP CC[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000568149787 326313387 /nfs/dbraw/zinc/31/33/87/326313387.db2.gz ZOJRBPGUGHVTCR-LLVKDONJSA-N 2 2 238.335 0.950 20 0 BCADLP CC[C@H]([NH3+])CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000568151583 326313752 /nfs/dbraw/zinc/31/37/52/326313752.db2.gz FUECMOYPWWZXJK-ZJUUUORDSA-N 2 2 224.308 0.688 20 0 BCADLP [NH3+]CCOCC[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000568245551 326333878 /nfs/dbraw/zinc/33/38/78/326333878.db2.gz QMOQNUWJFTYLCU-UHFFFAOYSA-N 2 2 249.314 0.416 20 0 BCADLP [NH3+]CCOCC[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000568245551 326333879 /nfs/dbraw/zinc/33/38/79/326333879.db2.gz QMOQNUWJFTYLCU-UHFFFAOYSA-N 2 2 249.314 0.416 20 0 BCADLP CC(C)[NH2+]CCC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000568381411 326351484 /nfs/dbraw/zinc/35/14/84/326351484.db2.gz JQXZRJDUXPJRGX-OLZOCXBDSA-N 3 2 243.395 0.731 20 0 BCADLP CC1(C(=O)NCCNc2cccc[nH+]2)C[NH2+]C1 ZINC000568506509 326360649 /nfs/dbraw/zinc/36/06/49/326360649.db2.gz YBAFWDHAPDBLPV-UHFFFAOYSA-N 2 2 234.303 0.219 20 0 BCADLP Cc1nc(C)c(C[N@H+](C)C[C@@H](O)C[NH3+])s1 ZINC000568516963 326362066 /nfs/dbraw/zinc/36/20/66/326362066.db2.gz VCAIGSXJDKHBAD-VIFPVBQESA-N 2 2 229.349 0.511 20 0 BCADLP Cc1nc(C)c(C[N@@H+](C)C[C@@H](O)C[NH3+])s1 ZINC000568516963 326362067 /nfs/dbraw/zinc/36/20/67/326362067.db2.gz VCAIGSXJDKHBAD-VIFPVBQESA-N 2 2 229.349 0.511 20 0 BCADLP C[N@H+](CC[NH3+])CCOC[C@H]1CCCO1 ZINC000568733235 326373891 /nfs/dbraw/zinc/37/38/91/326373891.db2.gz SFGBGMLLAHLXDS-SNVBAGLBSA-N 2 2 202.298 0.073 20 0 BCADLP C[N@@H+](CC[NH3+])CCOC[C@H]1CCCO1 ZINC000568733235 326373893 /nfs/dbraw/zinc/37/38/93/326373893.db2.gz SFGBGMLLAHLXDS-SNVBAGLBSA-N 2 2 202.298 0.073 20 0 BCADLP C[C@H](C[NH3+])C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000568758771 326375482 /nfs/dbraw/zinc/37/54/82/326375482.db2.gz RQMRLNAJCBJCHH-MRVPVSSYSA-N 2 2 218.260 0.868 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000569003675 326386347 /nfs/dbraw/zinc/38/63/47/326386347.db2.gz SRGBFGUWOLTOMN-NSHDSACASA-N 3 2 241.379 0.411 20 0 BCADLP CC(C)([NH3+])C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000569003675 326386348 /nfs/dbraw/zinc/38/63/48/326386348.db2.gz SRGBFGUWOLTOMN-NSHDSACASA-N 3 2 241.379 0.411 20 0 BCADLP Cc1[nH+]cccc1Cc1nc(C[NH3+])no1 ZINC000569102872 326390075 /nfs/dbraw/zinc/39/00/75/326390075.db2.gz ZVJWWVSMGREMSR-UHFFFAOYSA-N 2 2 204.233 0.823 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)[C@H](C)[NH+]2CC(C)C2)C1 ZINC000572973072 326422164 /nfs/dbraw/zinc/42/21/64/326422164.db2.gz MEEYXYDSNFZRBJ-NSHDSACASA-N 2 2 239.363 0.535 20 0 BCADLP C[C@H]1C[C@H](C)CN(C(=O)C[N@H+](C)CCC[NH3+])C1 ZINC000123298002 487983094 /nfs/dbraw/zinc/98/30/94/487983094.db2.gz XYEVNKHOFNYBFV-RYUDHWBXSA-N 2 2 241.379 0.772 20 0 BCADLP C[C@H]1C[C@H](C)CN(C(=O)C[N@@H+](C)CCC[NH3+])C1 ZINC000123298002 487983100 /nfs/dbraw/zinc/98/31/00/487983100.db2.gz XYEVNKHOFNYBFV-RYUDHWBXSA-N 2 2 241.379 0.772 20 0 BCADLP Cc1ccc(CNC(=O)C[N@H+](C)CCC[NH3+])cc1 ZINC000123348136 487995690 /nfs/dbraw/zinc/99/56/90/487995690.db2.gz XMASUCYWMQQNSG-UHFFFAOYSA-N 2 2 249.358 0.892 20 0 BCADLP Cc1ccc(CNC(=O)C[N@@H+](C)CCC[NH3+])cc1 ZINC000123348136 487995699 /nfs/dbraw/zinc/99/56/99/487995699.db2.gz XMASUCYWMQQNSG-UHFFFAOYSA-N 2 2 249.358 0.892 20 0 BCADLP OCCC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000401026628 488000749 /nfs/dbraw/zinc/00/07/49/488000749.db2.gz NVPCPOXDZJJZTM-GFCCVEGCSA-N 2 2 228.336 0.069 20 0 BCADLP CC[C@@H]([NH3+])c1cn(CC[NH+]2CCOCC2)nn1 ZINC000229946602 488005787 /nfs/dbraw/zinc/00/57/87/488005787.db2.gz OAOKOUAKWMXMQY-SNVBAGLBSA-N 2 2 239.323 0.020 20 0 BCADLP CCC[C@H]([NH3+])c1cn(CCn2cc[nH+]c2)nn1 ZINC000229953440 488008948 /nfs/dbraw/zinc/00/89/48/488008948.db2.gz XLJPTBQLNDLUBU-JTQLQIEISA-N 2 2 234.307 0.975 20 0 BCADLP C[NH+]1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667461847 488012926 /nfs/dbraw/zinc/01/29/26/488012926.db2.gz PNQUVEPPNJWBDB-UHFFFAOYSA-N 2 2 220.320 0.577 20 0 BCADLP NC(=O)[C@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667470601 488015755 /nfs/dbraw/zinc/01/57/55/488015755.db2.gz CYFRMJFFBXBUNV-VIFPVBQESA-N 2 2 234.303 0.137 20 0 BCADLP NC(=O)[C@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667470601 488015761 /nfs/dbraw/zinc/01/57/61/488015761.db2.gz CYFRMJFFBXBUNV-VIFPVBQESA-N 2 2 234.303 0.137 20 0 BCADLP Cc1[nH+]cc(C[N@@H+](CCO)C(C)C)n1C ZINC000667477363 488021218 /nfs/dbraw/zinc/02/12/18/488021218.db2.gz CGAURPIVFFFELB-UHFFFAOYSA-N 2 2 211.309 0.931 20 0 BCADLP Cc1[nH+]cc(C[N@H+](CCO)C(C)C)n1C ZINC000667477363 488021222 /nfs/dbraw/zinc/02/12/22/488021222.db2.gz CGAURPIVFFFELB-UHFFFAOYSA-N 2 2 211.309 0.931 20 0 BCADLP CC[C@H]1C[N@H+](CC(=O)NC(C)C)CC[C@@H]1[NH3+] ZINC000147453678 488024488 /nfs/dbraw/zinc/02/44/88/488024488.db2.gz SZORBOFTGOGMEK-QWRGUYRKSA-N 2 2 227.352 0.570 20 0 BCADLP CC[C@H]1C[N@@H+](CC(=O)NC(C)C)CC[C@@H]1[NH3+] ZINC000147453678 488024494 /nfs/dbraw/zinc/02/44/94/488024494.db2.gz SZORBOFTGOGMEK-QWRGUYRKSA-N 2 2 227.352 0.570 20 0 BCADLP CNC(=O)[C@H]1CCC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000667533170 488040087 /nfs/dbraw/zinc/04/00/87/488040087.db2.gz IFWXRPZRKGUZSZ-LLVKDONJSA-N 2 2 236.319 0.439 20 0 BCADLP CNC(=O)[C@H]1CCC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667533170 488040090 /nfs/dbraw/zinc/04/00/90/488040090.db2.gz IFWXRPZRKGUZSZ-LLVKDONJSA-N 2 2 236.319 0.439 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CCCOCC2)n1C ZINC000667532389 488040741 /nfs/dbraw/zinc/04/07/41/488040741.db2.gz KWMCZMFCSKYUDX-UHFFFAOYSA-N 2 2 209.293 0.951 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CCCOCC2)n1C ZINC000667532389 488040747 /nfs/dbraw/zinc/04/07/47/488040747.db2.gz KWMCZMFCSKYUDX-UHFFFAOYSA-N 2 2 209.293 0.951 20 0 BCADLP CC1([NH3+])CC[NH+](C[C@]23C[C@H]2C[NH2+]C3)CC1 ZINC000663495020 488043849 /nfs/dbraw/zinc/04/38/49/488043849.db2.gz TUPIMWXXLAWKNX-CMPLNLGQSA-N 3 2 209.337 0.409 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)CC[NH2+]1 ZINC000663499576 488047720 /nfs/dbraw/zinc/04/77/20/488047720.db2.gz DFSCQTFGDACJSK-VOBJUBJWSA-N 3 2 209.337 0.469 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+]Cc1cnc2c(c1)c(C)nn2C ZINC000663508050 488054213 /nfs/dbraw/zinc/05/42/13/488054213.db2.gz HCARBWCPFWLFAM-VIFPVBQESA-N 2 2 247.346 0.974 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@](C)(O)C1 ZINC000314636785 488056564 /nfs/dbraw/zinc/05/65/64/488056564.db2.gz UJXAEOIXIIDTGA-LBPRGKRZSA-N 2 2 223.320 0.809 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@](C)(O)C1 ZINC000314636785 488056570 /nfs/dbraw/zinc/05/65/70/488056570.db2.gz UJXAEOIXIIDTGA-LBPRGKRZSA-N 2 2 223.320 0.809 20 0 BCADLP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)nn1C ZINC000257674801 488079800 /nfs/dbraw/zinc/07/98/00/488079800.db2.gz JIZTUDIGEPHMMY-CYBMUJFWSA-N 2 2 234.347 0.914 20 0 BCADLP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)nn1C ZINC000257674801 488079805 /nfs/dbraw/zinc/07/98/05/488079805.db2.gz JIZTUDIGEPHMMY-CYBMUJFWSA-N 2 2 234.347 0.914 20 0 BCADLP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)ncn1 ZINC000257683199 488080886 /nfs/dbraw/zinc/08/08/86/488080886.db2.gz LNUVWVAAMKIRNL-CYBMUJFWSA-N 2 2 232.331 0.970 20 0 BCADLP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)ncn1 ZINC000257683199 488080892 /nfs/dbraw/zinc/08/08/92/488080892.db2.gz LNUVWVAAMKIRNL-CYBMUJFWSA-N 2 2 232.331 0.970 20 0 BCADLP CO[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)CC[C@@H]1C ZINC000230310995 488083302 /nfs/dbraw/zinc/08/33/02/488083302.db2.gz VSYDJBUWLJPTHA-SDDRHHMPSA-N 2 2 228.336 0.332 20 0 BCADLP CO[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)CC[C@@H]1C ZINC000230310995 488083305 /nfs/dbraw/zinc/08/33/05/488083305.db2.gz VSYDJBUWLJPTHA-SDDRHHMPSA-N 2 2 228.336 0.332 20 0 BCADLP CO[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000230314952 488084413 /nfs/dbraw/zinc/08/44/13/488084413.db2.gz BWJYYGZYJYYZQT-MNOVXSKESA-N 2 2 214.309 0.086 20 0 BCADLP CO[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000230314952 488084421 /nfs/dbraw/zinc/08/44/21/488084421.db2.gz BWJYYGZYJYYZQT-MNOVXSKESA-N 2 2 214.309 0.086 20 0 BCADLP CC[C@@H]1C[N@H+](Cc2c[nH+]c(C)n2C)C[C@@H]1O ZINC000667710935 488097312 /nfs/dbraw/zinc/09/73/12/488097312.db2.gz SHWIBHRAWCXTRI-PWSUYJOCSA-N 2 2 223.320 0.931 20 0 BCADLP CC[C@@H]1C[N@@H+](Cc2c[nH+]c(C)n2C)C[C@@H]1O ZINC000667710935 488097317 /nfs/dbraw/zinc/09/73/17/488097317.db2.gz SHWIBHRAWCXTRI-PWSUYJOCSA-N 2 2 223.320 0.931 20 0 BCADLP Cn1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)nn1 ZINC000677763794 488120472 /nfs/dbraw/zinc/12/04/72/488120472.db2.gz JHPTUWPJAPHXCK-LBPRGKRZSA-N 2 2 246.318 0.849 20 0 BCADLP Cn1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)nn1 ZINC000677763794 488120475 /nfs/dbraw/zinc/12/04/75/488120475.db2.gz JHPTUWPJAPHXCK-LBPRGKRZSA-N 2 2 246.318 0.849 20 0 BCADLP Cn1c[nH+]cc1CN1CC[NH2+]CC1(C)C ZINC000085170926 488133666 /nfs/dbraw/zinc/13/36/66/488133666.db2.gz KSLNJAOVCFKVDR-UHFFFAOYSA-N 2 2 208.309 0.604 20 0 BCADLP COC[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000685566202 487548128 /nfs/dbraw/zinc/54/81/28/487548128.db2.gz WHNYGWSZTUMDDB-QWHCGFSZSA-N 2 2 242.363 0.552 20 0 BCADLP COC[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000685566202 487548137 /nfs/dbraw/zinc/54/81/37/487548137.db2.gz WHNYGWSZTUMDDB-QWHCGFSZSA-N 2 2 242.363 0.552 20 0 BCADLP COC[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000685566202 487548147 /nfs/dbraw/zinc/54/81/47/487548147.db2.gz WHNYGWSZTUMDDB-QWHCGFSZSA-N 2 2 242.363 0.552 20 0 BCADLP COC[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000685566202 487548153 /nfs/dbraw/zinc/54/81/53/487548153.db2.gz WHNYGWSZTUMDDB-QWHCGFSZSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H](C(=O)N1CC(Oc2cc[nH+]cc2)C1)[NH+](C)C ZINC000674287689 487548707 /nfs/dbraw/zinc/54/87/07/487548707.db2.gz XFQMCJTXDAJYDC-JTQLQIEISA-N 2 2 249.314 0.621 20 0 BCADLP C[C@@H](C(=O)NCCc1[nH]cc[nH+]1)[NH+](C)C ZINC000674289744 487550686 /nfs/dbraw/zinc/55/06/86/487550686.db2.gz QHWCVFSVVOHYPS-QMMMGPOBSA-N 2 2 210.281 0.019 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1CC=CCC1)C1CC1 ZINC000685571743 487552837 /nfs/dbraw/zinc/55/28/37/487552837.db2.gz KWQPJLZJRPRFMG-GFCCVEGCSA-N 2 2 210.321 0.703 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC=CCC1)C1CC1 ZINC000685571743 487552839 /nfs/dbraw/zinc/55/28/39/487552839.db2.gz KWQPJLZJRPRFMG-GFCCVEGCSA-N 2 2 210.321 0.703 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+]1CC=CCC1)C1CC1 ZINC000685571743 487552842 /nfs/dbraw/zinc/55/28/42/487552842.db2.gz KWQPJLZJRPRFMG-GFCCVEGCSA-N 2 2 210.321 0.703 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC=CCC1)C1CC1 ZINC000685571743 487552845 /nfs/dbraw/zinc/55/28/45/487552845.db2.gz KWQPJLZJRPRFMG-GFCCVEGCSA-N 2 2 210.321 0.703 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000673917557 487477990 /nfs/dbraw/zinc/47/79/90/487477990.db2.gz QIENVWDCMYHBHW-LLVKDONJSA-N 2 2 236.319 0.819 20 0 BCADLP CCc1nn(C)cc1C[N@@H+]1CCC[NH2+]CC1 ZINC000161232617 487485025 /nfs/dbraw/zinc/48/50/25/487485025.db2.gz QGDFQNTZBVBUAS-UHFFFAOYSA-N 2 2 222.336 0.778 20 0 BCADLP CCc1nn(C)cc1C[N@H+]1CCC[NH2+]CC1 ZINC000161232617 487485028 /nfs/dbraw/zinc/48/50/28/487485028.db2.gz QGDFQNTZBVBUAS-UHFFFAOYSA-N 2 2 222.336 0.778 20 0 BCADLP C[C@@H](CC(=O)N(C)C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000380770894 487486061 /nfs/dbraw/zinc/48/60/61/487486061.db2.gz YVPUVKOCUOECIL-QWRGUYRKSA-N 2 2 227.352 0.585 20 0 BCADLP Cc1ccc(C[N@H+](C)C[C@H](O)C[NH3+])cn1 ZINC000405588870 487487289 /nfs/dbraw/zinc/48/72/89/487487289.db2.gz KNDFCQCNYKZWEO-LLVKDONJSA-N 2 2 209.293 0.141 20 0 BCADLP Cc1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])cn1 ZINC000405588870 487487293 /nfs/dbraw/zinc/48/72/93/487487293.db2.gz KNDFCQCNYKZWEO-LLVKDONJSA-N 2 2 209.293 0.141 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000086272186 487496104 /nfs/dbraw/zinc/49/61/04/487496104.db2.gz NNKQJGZVTQGIGK-DTWKUNHWSA-N 2 2 222.292 0.366 20 0 BCADLP COC[C@H](C[N@@H+]1CCC[C@H]([NH3+])C1)OC ZINC000300370840 487511061 /nfs/dbraw/zinc/51/10/61/487511061.db2.gz DOTOFZIMHGYFAB-UWVGGRQHSA-N 2 2 202.298 0.071 20 0 BCADLP COC[C@H](C[N@H+]1CCC[C@H]([NH3+])C1)OC ZINC000300370840 487511064 /nfs/dbraw/zinc/51/10/64/487511064.db2.gz DOTOFZIMHGYFAB-UWVGGRQHSA-N 2 2 202.298 0.071 20 0 BCADLP CN(CC1CC1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653074559 487520661 /nfs/dbraw/zinc/52/06/61/487520661.db2.gz MTEMUXHNMLSUCK-SNVBAGLBSA-N 2 2 213.325 0.134 20 0 BCADLP COc1cc[nH+]c(CN(C)CC[NH3+])c1OC ZINC000232193399 487521787 /nfs/dbraw/zinc/52/17/87/487521787.db2.gz OTZNRIFDSMSNAL-UHFFFAOYSA-N 2 2 225.292 0.489 20 0 BCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CCC[NH2+]CC1 ZINC000232233599 487527115 /nfs/dbraw/zinc/52/71/15/487527115.db2.gz HMOVYTUMEKLFNY-NSHDSACASA-N 2 2 236.319 0.532 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655447517 488036838 /nfs/dbraw/zinc/03/68/38/488036838.db2.gz ZGMALGKWJAXYJM-GXFFZTMASA-N 2 2 248.330 0.426 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)Cn1cncn1 ZINC000657836243 488147107 /nfs/dbraw/zinc/14/71/07/488147107.db2.gz ZTWJYUXWVCQFRC-MNOVXSKESA-N 2 2 234.307 0.541 20 0 BCADLP CN(CCCn1cc[nH+]c1)C(=O)C[NH2+]C1CC1 ZINC000237129936 488149429 /nfs/dbraw/zinc/14/94/29/488149429.db2.gz YAXFFGXJPGNOOL-UHFFFAOYSA-N 2 2 236.319 0.484 20 0 BCADLP Cn1nccc1CC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000230764220 488155766 /nfs/dbraw/zinc/15/57/66/488155766.db2.gz CDOWLCVQMRBBTB-LBPRGKRZSA-N 2 2 222.336 0.776 20 0 BCADLP Cn1nccc1CC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000230764220 488155769 /nfs/dbraw/zinc/15/57/69/488155769.db2.gz CDOWLCVQMRBBTB-LBPRGKRZSA-N 2 2 222.336 0.776 20 0 BCADLP CC[C@@H]1C[N@H+](Cc2ccn(C)n2)CC[C@@H]1[NH3+] ZINC000160789629 488166054 /nfs/dbraw/zinc/16/60/54/488166054.db2.gz MBIPFPGZXWFXTD-PWSUYJOCSA-N 2 2 222.336 0.979 20 0 BCADLP CC[C@@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@@H]1[NH3+] ZINC000160789629 488166059 /nfs/dbraw/zinc/16/60/59/488166059.db2.gz MBIPFPGZXWFXTD-PWSUYJOCSA-N 2 2 222.336 0.979 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccnn1C ZINC000168846097 488166140 /nfs/dbraw/zinc/16/61/40/488166140.db2.gz LOYDZAIQYIKBKW-NXEZZACHSA-N 2 2 208.309 0.732 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccnn1C ZINC000168846097 488166144 /nfs/dbraw/zinc/16/61/44/488166144.db2.gz LOYDZAIQYIKBKW-NXEZZACHSA-N 2 2 208.309 0.732 20 0 BCADLP CC[N@H+](CCn1cc[nH+]c1C)CC(=O)N(C)C ZINC000677980869 488167566 /nfs/dbraw/zinc/16/75/66/488167566.db2.gz LVWCIVKQPSFENI-UHFFFAOYSA-N 2 2 238.335 0.602 20 0 BCADLP CC[N@@H+](CCn1cc[nH+]c1C)CC(=O)N(C)C ZINC000677980869 488167567 /nfs/dbraw/zinc/16/75/67/488167567.db2.gz LVWCIVKQPSFENI-UHFFFAOYSA-N 2 2 238.335 0.602 20 0 BCADLP CC[N@H+](CCC[NH2+]C)CC(=O)N(C)C ZINC000230895538 488170619 /nfs/dbraw/zinc/17/06/19/488170619.db2.gz SDEPJIZODDQXAE-UHFFFAOYSA-N 2 2 201.314 0.006 20 0 BCADLP CC[N@@H+](CCC[NH2+]C)CC(=O)N(C)C ZINC000230895538 488170622 /nfs/dbraw/zinc/17/06/22/488170622.db2.gz SDEPJIZODDQXAE-UHFFFAOYSA-N 2 2 201.314 0.006 20 0 BCADLP Cc1nnsc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000380077996 488171275 /nfs/dbraw/zinc/17/12/75/488171275.db2.gz KDGBSADZVDXBIF-IUCAKERBSA-N 2 2 224.333 0.498 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](n3cncn3)C2)n1C ZINC000668007727 488183094 /nfs/dbraw/zinc/18/30/94/488183094.db2.gz CLKSVYREUCXCCA-LLVKDONJSA-N 2 2 246.318 0.767 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](n3cncn3)C2)n1C ZINC000668007727 488183097 /nfs/dbraw/zinc/18/30/97/488183097.db2.gz CLKSVYREUCXCCA-LLVKDONJSA-N 2 2 246.318 0.767 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)n1C ZINC000668012165 488184560 /nfs/dbraw/zinc/18/45/60/488184560.db2.gz UMQVWOFARKCNBW-JOYOIKCWSA-N 2 2 223.320 0.931 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)n1C ZINC000668012165 488184563 /nfs/dbraw/zinc/18/45/63/488184563.db2.gz UMQVWOFARKCNBW-JOYOIKCWSA-N 2 2 223.320 0.931 20 0 BCADLP C[C@@H](C(=O)N1CC[N@H+](C)CC1(C)C)[NH+](C)C ZINC000678055729 488188482 /nfs/dbraw/zinc/18/84/82/488188482.db2.gz LTFMYRVTMPWMIF-JTQLQIEISA-N 2 2 227.352 0.489 20 0 BCADLP C[C@@H](C(=O)N1CC[N@@H+](C)CC1(C)C)[NH+](C)C ZINC000678055729 488188486 /nfs/dbraw/zinc/18/84/86/488188486.db2.gz LTFMYRVTMPWMIF-JTQLQIEISA-N 2 2 227.352 0.489 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](C)[C@H]2CO)n1C ZINC000668035354 488192823 /nfs/dbraw/zinc/19/28/23/488192823.db2.gz JUHXCXBKRYRSNW-BXKDBHETSA-N 2 2 223.320 0.931 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)n1C ZINC000668035354 488192826 /nfs/dbraw/zinc/19/28/26/488192826.db2.gz JUHXCXBKRYRSNW-BXKDBHETSA-N 2 2 223.320 0.931 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2C[C@H](O)C[C@@H]2C)n1C ZINC000668045635 488194022 /nfs/dbraw/zinc/19/40/22/488194022.db2.gz WOTKIMNKSSSAMT-GZMMTYOYSA-N 2 2 209.293 0.684 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](O)C[C@@H]2C)n1C ZINC000668045635 488194026 /nfs/dbraw/zinc/19/40/26/488194026.db2.gz WOTKIMNKSSSAMT-GZMMTYOYSA-N 2 2 209.293 0.684 20 0 BCADLP C[C@@H]1C[C@H](O)C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668045271 488194324 /nfs/dbraw/zinc/19/43/24/488194324.db2.gz MMNQYZOGBUUBKY-KOLCDFICSA-N 2 2 221.304 0.784 20 0 BCADLP C[C@@H]1C[C@H](O)C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668045271 488194326 /nfs/dbraw/zinc/19/43/26/488194326.db2.gz MMNQYZOGBUUBKY-KOLCDFICSA-N 2 2 221.304 0.784 20 0 BCADLP C[C@]1(C(N)=O)CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668097518 488203469 /nfs/dbraw/zinc/20/34/69/488203469.db2.gz LDMMHMSSQLVBQO-ZDUSSCGKSA-N 2 2 248.330 0.527 20 0 BCADLP C[C@]1(C(N)=O)CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668097518 488203472 /nfs/dbraw/zinc/20/34/72/488203472.db2.gz LDMMHMSSQLVBQO-ZDUSSCGKSA-N 2 2 248.330 0.527 20 0 BCADLP Cc1[nH]ncc1[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000683691611 488207931 /nfs/dbraw/zinc/20/79/31/488207931.db2.gz FSKMZWAPCSUGLD-SNVBAGLBSA-N 2 2 240.351 0.947 20 0 BCADLP C[NH+](C)C1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000678153014 488208415 /nfs/dbraw/zinc/20/84/15/488208415.db2.gz RMDUNJNZNYSGPD-UHFFFAOYSA-N 2 2 208.309 0.936 20 0 BCADLP C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000043801979 488210130 /nfs/dbraw/zinc/21/01/30/488210130.db2.gz YNULJWRYWLOTNB-TUAOUCFPSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[C@H](C)C[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000043801979 488210132 /nfs/dbraw/zinc/21/01/32/488210132.db2.gz YNULJWRYWLOTNB-TUAOUCFPSA-N 2 2 212.337 0.953 20 0 BCADLP C[NH+](C)CC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000043802885 488210153 /nfs/dbraw/zinc/21/01/53/488210153.db2.gz PCKQDYVFEHTAOO-ZDUSSCGKSA-N 3 2 241.379 0.248 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H]2CC[C@@H](CO)C2)n1C ZINC000668208512 488225281 /nfs/dbraw/zinc/22/52/81/488225281.db2.gz BSNBKUIMEBAJHW-MNOVXSKESA-N 2 2 223.320 0.979 20 0 BCADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000672151715 488241771 /nfs/dbraw/zinc/24/17/71/488241771.db2.gz XSGXYTLJGBTUEV-QWRGUYRKSA-N 2 2 248.330 0.266 20 0 BCADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000672151715 488241773 /nfs/dbraw/zinc/24/17/73/488241773.db2.gz XSGXYTLJGBTUEV-QWRGUYRKSA-N 2 2 248.330 0.266 20 0 BCADLP C[NH+](C)C(C)(C)CNC(=O)Cn1cc[nH+]c1 ZINC000673630933 488298859 /nfs/dbraw/zinc/29/88/59/488298859.db2.gz CQVHBLKWQWBXBS-UHFFFAOYSA-N 2 2 224.308 0.340 20 0 BCADLP C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000673660604 488301510 /nfs/dbraw/zinc/30/15/10/488301510.db2.gz BLPRAWTZWSOBKQ-SNVBAGLBSA-N 2 2 222.292 0.094 20 0 BCADLP C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000673660604 488301511 /nfs/dbraw/zinc/30/15/11/488301511.db2.gz BLPRAWTZWSOBKQ-SNVBAGLBSA-N 2 2 222.292 0.094 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000684395032 488305061 /nfs/dbraw/zinc/30/50/61/488305061.db2.gz QKPGWAULEZASEG-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000684395032 488305063 /nfs/dbraw/zinc/30/50/63/488305063.db2.gz QKPGWAULEZASEG-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CC(=O)N(C)C)C1 ZINC000679074227 488306274 /nfs/dbraw/zinc/30/62/74/488306274.db2.gz AEKSHXZCNQZKTJ-SDDRHHMPSA-N 2 2 241.379 0.783 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CC(=O)N(C)C)C1 ZINC000679074227 488306277 /nfs/dbraw/zinc/30/62/77/488306277.db2.gz AEKSHXZCNQZKTJ-SDDRHHMPSA-N 2 2 241.379 0.783 20 0 BCADLP Cc1cc(NC(=O)C=CC[NH+](C)C)cc[nH+]1 ZINC000491850662 490120569 /nfs/dbraw/zinc/12/05/69/490120569.db2.gz QGOQBJAAMJMURN-SNAWJCMRSA-N 2 2 219.288 0.868 20 0 BCADLP Cc1[nH+]cc(CN2CC[C@H]3C[N@H+](C)C[C@H]32)n1C ZINC000668186627 490338196 /nfs/dbraw/zinc/33/81/96/490338196.db2.gz NMGWKBCUQHGQNI-WCQYABFASA-N 2 2 234.347 0.864 20 0 BCADLP Cc1[nH+]cc(CN2CC[C@H]3C[N@@H+](C)C[C@H]32)n1C ZINC000668186627 490338201 /nfs/dbraw/zinc/33/82/01/490338201.db2.gz NMGWKBCUQHGQNI-WCQYABFASA-N 2 2 234.347 0.864 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000336771327 490354903 /nfs/dbraw/zinc/35/49/03/490354903.db2.gz WQLHFDRWIMZNAT-QJPTWQEYSA-N 2 2 214.353 0.935 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000336771327 490354910 /nfs/dbraw/zinc/35/49/10/490354910.db2.gz WQLHFDRWIMZNAT-QJPTWQEYSA-N 2 2 214.353 0.935 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CC[N@@H+]1C ZINC000127804391 490560285 /nfs/dbraw/zinc/56/02/85/490560285.db2.gz JTZHQZNYOCJVMG-ZJUUUORDSA-N 2 2 213.325 0.147 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CC[N@H+]1C ZINC000127804391 490560288 /nfs/dbraw/zinc/56/02/88/490560288.db2.gz JTZHQZNYOCJVMG-ZJUUUORDSA-N 2 2 213.325 0.147 20 0 BCADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)C(C)(C)O ZINC000306399209 490635754 /nfs/dbraw/zinc/63/57/54/490635754.db2.gz JXZKGSBHDDUVDC-UTLUCORTSA-N 2 2 200.326 0.686 20 0 BCADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C(C)(C)O ZINC000306399209 490635755 /nfs/dbraw/zinc/63/57/55/490635755.db2.gz JXZKGSBHDDUVDC-UTLUCORTSA-N 2 2 200.326 0.686 20 0 BCADLP COc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000228073272 491089394 /nfs/dbraw/zinc/08/93/94/491089394.db2.gz ZTIRGPSSTGSKFQ-VXGBXAGGSA-N 2 2 233.315 0.741 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660652327 491103454 /nfs/dbraw/zinc/10/34/54/491103454.db2.gz IREDNRJRVAXPJD-ZDUSSCGKSA-N 2 2 239.363 0.492 20 0 BCADLP CN(C)C(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660652327 491103456 /nfs/dbraw/zinc/10/34/56/491103456.db2.gz IREDNRJRVAXPJD-ZDUSSCGKSA-N 2 2 239.363 0.492 20 0 BCADLP CN(C)C(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660652327 491103458 /nfs/dbraw/zinc/10/34/58/491103458.db2.gz IREDNRJRVAXPJD-ZDUSSCGKSA-N 2 2 239.363 0.492 20 0 BCADLP CN(C)C(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660652327 491103460 /nfs/dbraw/zinc/10/34/60/491103460.db2.gz IREDNRJRVAXPJD-ZDUSSCGKSA-N 2 2 239.363 0.492 20 0 BCADLP C[N@H+](CC1C[NH+](C)C1)C[C@H]1CNc2ccnn2C1 ZINC000668538748 491127380 /nfs/dbraw/zinc/12/73/80/491127380.db2.gz BRAFQHHSULCKDD-LLVKDONJSA-N 2 2 249.362 0.418 20 0 BCADLP C[N@@H+](CC1C[NH+](C)C1)C[C@H]1CNc2ccnn2C1 ZINC000668538748 491127381 /nfs/dbraw/zinc/12/73/81/491127381.db2.gz BRAFQHHSULCKDD-LLVKDONJSA-N 2 2 249.362 0.418 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)CO ZINC000308686553 491137748 /nfs/dbraw/zinc/13/77/48/491137748.db2.gz ZSUMOJDQSNVIRH-UWVGGRQHSA-N 2 2 200.326 0.545 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)CO ZINC000308686553 491137749 /nfs/dbraw/zinc/13/77/49/491137749.db2.gz ZSUMOJDQSNVIRH-UWVGGRQHSA-N 2 2 200.326 0.545 20 0 BCADLP OCCC[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000308734339 491137952 /nfs/dbraw/zinc/13/79/52/491137952.db2.gz CSOQLUFEHFXTFI-UHFFFAOYSA-N 2 2 209.293 0.730 20 0 BCADLP OCCC[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000308734339 491137953 /nfs/dbraw/zinc/13/79/53/491137953.db2.gz CSOQLUFEHFXTFI-UHFFFAOYSA-N 2 2 209.293 0.730 20 0 BCADLP CCN1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)CC1=O ZINC000262120432 535518712 /nfs/dbraw/zinc/51/87/12/535518712.db2.gz XFXBWJMHISFWPU-ZDUSSCGKSA-N 2 2 239.363 0.540 20 0 BCADLP CCN1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC1=O ZINC000262120432 535518717 /nfs/dbraw/zinc/51/87/17/535518717.db2.gz XFXBWJMHISFWPU-ZDUSSCGKSA-N 2 2 239.363 0.540 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261534204 535626654 /nfs/dbraw/zinc/62/66/54/535626654.db2.gz LVWOHLSHQNEZRQ-GXSJLCMTSA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261534204 535626657 /nfs/dbraw/zinc/62/66/57/535626657.db2.gz LVWOHLSHQNEZRQ-GXSJLCMTSA-N 2 2 214.309 0.609 20 0 BCADLP C[C@@H]1C[C@H]1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000488422138 534029199 /nfs/dbraw/zinc/02/91/99/534029199.db2.gz YHTNYWIQKPEDEQ-WOPDTQHZSA-N 2 2 239.363 0.572 20 0 BCADLP C[C@@H]1C[C@H]1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000488422138 534029208 /nfs/dbraw/zinc/02/92/08/534029208.db2.gz YHTNYWIQKPEDEQ-WOPDTQHZSA-N 2 2 239.363 0.572 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCN1CCOC1=O ZINC000493691410 534444039 /nfs/dbraw/zinc/44/40/39/534444039.db2.gz FATXJEIJDGAIHR-GHMZBOCLSA-N 2 2 241.335 0.368 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCN1CCOC1=O ZINC000493691410 534444042 /nfs/dbraw/zinc/44/40/42/534444042.db2.gz FATXJEIJDGAIHR-GHMZBOCLSA-N 2 2 241.335 0.368 20 0 BCADLP COC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252843594 536473082 /nfs/dbraw/zinc/47/30/82/536473082.db2.gz DEECSXBBOVCYGE-GUBZILKMSA-N 2 2 212.293 0.219 20 0 BCADLP COC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252843594 536473084 /nfs/dbraw/zinc/47/30/84/536473084.db2.gz DEECSXBBOVCYGE-GUBZILKMSA-N 2 2 212.293 0.219 20 0 BCADLP C[N@H+](Cc1cccc2[nH+]ccn21)[C@H]1COC[C@@H]1O ZINC000348638195 536477473 /nfs/dbraw/zinc/47/74/73/536477473.db2.gz VHHWIGYYQOGVFP-RYUDHWBXSA-N 2 2 247.298 0.526 20 0 BCADLP C[N@@H+](Cc1cccc2[nH+]ccn21)[C@H]1COC[C@@H]1O ZINC000348638195 536477474 /nfs/dbraw/zinc/47/74/74/536477474.db2.gz VHHWIGYYQOGVFP-RYUDHWBXSA-N 2 2 247.298 0.526 20 0 BCADLP C[N@H+](Cc1cccc2[nH+]ccn21)[C@H]1COC[C@H]1O ZINC000348638194 536477615 /nfs/dbraw/zinc/47/76/15/536477615.db2.gz VHHWIGYYQOGVFP-NWDGAFQWSA-N 2 2 247.298 0.526 20 0 BCADLP C[N@@H+](Cc1cccc2[nH+]ccn21)[C@H]1COC[C@H]1O ZINC000348638194 536477618 /nfs/dbraw/zinc/47/76/18/536477618.db2.gz VHHWIGYYQOGVFP-NWDGAFQWSA-N 2 2 247.298 0.526 20 0 BCADLP CCN(C)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400548503 527726340 /nfs/dbraw/zinc/72/63/40/527726340.db2.gz WROFPGGLKPQSFP-UWVGGRQHSA-N 2 2 213.325 0.195 20 0 BCADLP CCN(C)C(=O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400548502 527727622 /nfs/dbraw/zinc/72/76/22/527727622.db2.gz WROFPGGLKPQSFP-NXEZZACHSA-N 2 2 213.325 0.195 20 0 BCADLP CC[NH+](CC)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000174765834 528088051 /nfs/dbraw/zinc/08/80/51/528088051.db2.gz SKRMTLYYKZRAEN-UHFFFAOYSA-N 2 2 224.308 0.410 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493115662 528981671 /nfs/dbraw/zinc/98/16/71/528981671.db2.gz JCEAKPQFECQCEM-ONEGZZNKSA-N 2 2 234.303 0.632 20 0 BCADLP CCCNC(=O)C1CC[NH+](CC[NH3+])CC1 ZINC000258798977 535013530 /nfs/dbraw/zinc/01/35/30/535013530.db2.gz SIPRWEHBZNQZKK-UHFFFAOYSA-N 2 2 213.325 0.183 20 0 BCADLP CC(C)n1c[nH+]cc1C[NH2+]CC(=O)N(C)C ZINC000085187829 535103514 /nfs/dbraw/zinc/10/35/14/535103514.db2.gz BGDCMVZOAMYLPD-UHFFFAOYSA-N 2 2 224.308 0.642 20 0 BCADLP CC(C)[NH+]1CCC([N@H+](C)CC(N)=O)CC1 ZINC000257775014 535153210 /nfs/dbraw/zinc/15/32/10/535153210.db2.gz VHKPXUVEYLVUHA-UHFFFAOYSA-N 2 2 213.325 0.276 20 0 BCADLP CC(C)[NH+]1CCC([N@@H+](C)CC(N)=O)CC1 ZINC000257775014 535153211 /nfs/dbraw/zinc/15/32/11/535153211.db2.gz VHKPXUVEYLVUHA-UHFFFAOYSA-N 2 2 213.325 0.276 20 0 BCADLP CCCCNC(=O)C[N@H+](C)CCC[NH2+]C ZINC000087472826 535280386 /nfs/dbraw/zinc/28/03/86/535280386.db2.gz XWCDKXRUMXGPCE-UHFFFAOYSA-N 2 2 215.341 0.444 20 0 BCADLP CCCCNC(=O)C[N@@H+](C)CCC[NH2+]C ZINC000087472826 535280389 /nfs/dbraw/zinc/28/03/89/535280389.db2.gz XWCDKXRUMXGPCE-UHFFFAOYSA-N 2 2 215.341 0.444 20 0 BCADLP CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000173395855 535448891 /nfs/dbraw/zinc/44/88/91/535448891.db2.gz VOIVXQOSEXHDAD-MNOVXSKESA-N 2 2 228.336 0.822 20 0 BCADLP CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000173395855 535448896 /nfs/dbraw/zinc/44/88/96/535448896.db2.gz VOIVXQOSEXHDAD-MNOVXSKESA-N 2 2 228.336 0.822 20 0 BCADLP CCN1CCC[N@H+](C[C@H]2CCC[NH2+]C2)CC1=O ZINC000262043058 535518435 /nfs/dbraw/zinc/51/84/35/535518435.db2.gz YOMAKNOFBOVLNS-LBPRGKRZSA-N 2 2 239.363 0.540 20 0 BCADLP CCN1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1=O ZINC000262043058 535518439 /nfs/dbraw/zinc/51/84/39/535518439.db2.gz YOMAKNOFBOVLNS-LBPRGKRZSA-N 2 2 239.363 0.540 20 0 BCADLP CCO[C@H]1C[C@@H](O)C12CC[NH+](CC[NH3+])CC2 ZINC000262915788 535647620 /nfs/dbraw/zinc/64/76/20/535647620.db2.gz GFNXLOWSILEYRR-MNOVXSKESA-N 2 2 228.336 0.197 20 0 BCADLP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886744 535648725 /nfs/dbraw/zinc/64/87/25/535648725.db2.gz IQIMXAHQVGSWJB-VWYCJHECSA-N 2 2 228.336 0.997 20 0 BCADLP CCOC(=O)[C@H](CC)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886744 535648732 /nfs/dbraw/zinc/64/87/32/535648732.db2.gz IQIMXAHQVGSWJB-VWYCJHECSA-N 2 2 228.336 0.997 20 0 BCADLP CC[N@H+](CCCn1cc[nH+]c1)C[C@H](C)O ZINC000352200973 535727555 /nfs/dbraw/zinc/72/75/55/535727555.db2.gz CMOUTSLXGQAGCY-NSHDSACASA-N 2 2 211.309 0.976 20 0 BCADLP CC[N@@H+](CCCn1cc[nH+]c1)C[C@H](C)O ZINC000352200973 535727560 /nfs/dbraw/zinc/72/75/60/535727560.db2.gz CMOUTSLXGQAGCY-NSHDSACASA-N 2 2 211.309 0.976 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262072809 535943743 /nfs/dbraw/zinc/94/37/43/535943743.db2.gz SEZNIXLYYVDQGF-QWHCGFSZSA-N 3 2 225.380 0.870 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262072809 535943748 /nfs/dbraw/zinc/94/37/48/535943748.db2.gz SEZNIXLYYVDQGF-QWHCGFSZSA-N 3 2 225.380 0.870 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262072816 535943845 /nfs/dbraw/zinc/94/38/45/535943845.db2.gz SEZNIXLYYVDQGF-STQMWFEESA-N 3 2 225.380 0.870 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262072816 535943847 /nfs/dbraw/zinc/94/38/47/535943847.db2.gz SEZNIXLYYVDQGF-STQMWFEESA-N 3 2 225.380 0.870 20 0 BCADLP C[NH+]1CCC(NCC[NH+]2CCSCC2)CC1 ZINC000226321316 536344456 /nfs/dbraw/zinc/34/44/56/536344456.db2.gz HYOVNSYBFNZLIW-UHFFFAOYSA-N 2 2 243.420 0.719 20 0 BCADLP COC(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167654311 536472343 /nfs/dbraw/zinc/47/23/43/536472343.db2.gz MLLZMWJLCDYEFY-IUCAKERBSA-N 2 2 200.282 0.076 20 0 BCADLP COC(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167654311 536472345 /nfs/dbraw/zinc/47/23/45/536472345.db2.gz MLLZMWJLCDYEFY-IUCAKERBSA-N 2 2 200.282 0.076 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1CC(C)(C)C1)C1CC1 ZINC000382036091 538117823 /nfs/dbraw/zinc/11/78/23/538117823.db2.gz GKQWNOPOXMKHDK-LLVKDONJSA-N 2 2 212.337 0.783 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC(C)(C)C1)C1CC1 ZINC000382036091 538117824 /nfs/dbraw/zinc/11/78/24/538117824.db2.gz GKQWNOPOXMKHDK-LLVKDONJSA-N 2 2 212.337 0.783 20 0 BCADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CCOC1)CC2 ZINC000336747135 566392592 /nfs/dbraw/zinc/39/25/92/566392592.db2.gz CDPGHQPGUZPFLN-NXEZZACHSA-N 2 2 207.277 0.576 20 0 BCADLP CC(=O)OC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000893354532 583120956 /nfs/dbraw/zinc/12/09/56/583120956.db2.gz NENZNMHDVGYZLU-GHMZBOCLSA-N 2 2 228.336 0.869 20 0 BCADLP CC(=O)OC[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000893354532 583120958 /nfs/dbraw/zinc/12/09/58/583120958.db2.gz NENZNMHDVGYZLU-GHMZBOCLSA-N 2 2 228.336 0.869 20 0 BCADLP COCCOC[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000893354438 583120356 /nfs/dbraw/zinc/12/03/56/583120356.db2.gz KZETYDQZBYKMGW-CHWSQXEVSA-N 2 2 244.379 0.969 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)c1ccccn1 ZINC000853097392 588719593 /nfs/dbraw/zinc/71/95/93/588719593.db2.gz AMSQIKQKXBKVRN-DGCLKSJQSA-N 2 2 246.314 0.990 20 0 BCADLP [NH3+]C[C@@H]1CCC[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000853246038 588728609 /nfs/dbraw/zinc/72/86/09/588728609.db2.gz QTFIQHRYQVMLHB-TUAOUCFPSA-N 3 2 209.337 0.267 20 0 BCADLP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000853246038 588728610 /nfs/dbraw/zinc/72/86/10/588728610.db2.gz QTFIQHRYQVMLHB-TUAOUCFPSA-N 3 2 209.337 0.267 20 0 BCADLP Cc1cc[nH+]cc1Cc1nc(CC[NH3+])no1 ZINC000854131065 588775711 /nfs/dbraw/zinc/77/57/11/588775711.db2.gz FJMDONBAPWFPBF-UHFFFAOYSA-N 2 2 218.260 0.865 20 0 BCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000854527328 588790432 /nfs/dbraw/zinc/79/04/32/588790432.db2.gz MRKDBWHBHKWGOP-MNOVXSKESA-N 2 2 248.330 0.362 20 0 BCADLP C[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000854527328 588790433 /nfs/dbraw/zinc/79/04/33/588790433.db2.gz MRKDBWHBHKWGOP-MNOVXSKESA-N 2 2 248.330 0.362 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854526624 588790551 /nfs/dbraw/zinc/79/05/51/588790551.db2.gz LJQZWJUODWZAFY-SNVBAGLBSA-N 2 2 238.335 0.797 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854526624 588790552 /nfs/dbraw/zinc/79/05/52/588790552.db2.gz LJQZWJUODWZAFY-SNVBAGLBSA-N 2 2 238.335 0.797 20 0 BCADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC000855417201 588832347 /nfs/dbraw/zinc/83/23/47/588832347.db2.gz DPUREYWDBIKSHM-VIFPVBQESA-N 2 2 224.308 0.409 20 0 BCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000806936582 582653303 /nfs/dbraw/zinc/65/33/03/582653303.db2.gz ADMRYTIRCOGFCH-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000806936582 582653306 /nfs/dbraw/zinc/65/33/06/582653306.db2.gz ADMRYTIRCOGFCH-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000891927714 582739229 /nfs/dbraw/zinc/73/92/29/582739229.db2.gz NOJQPQNAQOKVCS-OPRDCNLKSA-N 2 2 249.318 0.459 20 0 BCADLP Cc1cc(N)nc(N2CC[NH+](C3CC3)CC2)[nH+]1 ZINC000892075809 582786148 /nfs/dbraw/zinc/78/61/48/582786148.db2.gz NRRLJDFDMULWFE-UHFFFAOYSA-N 2 2 233.319 0.652 20 0 BCADLP O=C1C[C@@H]([NH2+]CC[NH+]2CCCCC2)CCCN1 ZINC000111826452 582818316 /nfs/dbraw/zinc/81/83/16/582818316.db2.gz VBQCCXOQFRYINK-LBPRGKRZSA-N 2 2 239.363 0.731 20 0 BCADLP CCNC(=[NH2+])NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849048257 582841682 /nfs/dbraw/zinc/84/16/82/582841682.db2.gz GZVHNZJOGVZXMC-GARJFASQSA-N 2 2 242.367 0.618 20 0 BCADLP CCNC(=[NH2+])NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849048257 582841683 /nfs/dbraw/zinc/84/16/83/582841683.db2.gz GZVHNZJOGVZXMC-GARJFASQSA-N 2 2 242.367 0.618 20 0 BCADLP COCCOC[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000892665832 582945218 /nfs/dbraw/zinc/94/52/18/582945218.db2.gz VOZOVSHXWCPNFT-NWDGAFQWSA-N 2 2 230.352 0.722 20 0 BCADLP COCCOC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000892665832 582945219 /nfs/dbraw/zinc/94/52/19/582945219.db2.gz VOZOVSHXWCPNFT-NWDGAFQWSA-N 2 2 230.352 0.722 20 0 BCADLP CC(=O)OC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000892721098 582969062 /nfs/dbraw/zinc/96/90/62/582969062.db2.gz IVTOIWDEZJAPTO-GXSJLCMTSA-N 2 2 214.309 0.622 20 0 BCADLP CC(=O)OC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000892721098 582969065 /nfs/dbraw/zinc/96/90/65/582969065.db2.gz IVTOIWDEZJAPTO-GXSJLCMTSA-N 2 2 214.309 0.622 20 0 BCADLP CN(C)c1cc(N2CC[C@H](C[NH+](C)C)C2)nc[nH+]1 ZINC000893120467 583052701 /nfs/dbraw/zinc/05/27/01/583052701.db2.gz YYNLGXVLFAYGDF-LLVKDONJSA-N 2 2 249.362 0.931 20 0 BCADLP CN(C)c1cc(N2CC[C@H](C[NH+](C)C)C2)[nH+]cn1 ZINC000893120467 583052702 /nfs/dbraw/zinc/05/27/02/583052702.db2.gz YYNLGXVLFAYGDF-LLVKDONJSA-N 2 2 249.362 0.931 20 0 BCADLP COCCOC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000893354438 583120353 /nfs/dbraw/zinc/12/03/53/583120353.db2.gz KZETYDQZBYKMGW-CHWSQXEVSA-N 2 2 244.379 0.969 20 0 BCADLP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)o1 ZINC000893607695 583172552 /nfs/dbraw/zinc/17/25/52/583172552.db2.gz ZRHOAFOZINTRKV-LBPRGKRZSA-N 2 2 240.303 0.444 20 0 BCADLP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)o1 ZINC000893607695 583172554 /nfs/dbraw/zinc/17/25/54/583172554.db2.gz ZRHOAFOZINTRKV-LBPRGKRZSA-N 2 2 240.303 0.444 20 0 BCADLP C[NH+]1CCC(C[N@@H+]2CCn3ncnc3C2)CC1 ZINC000893660462 583189846 /nfs/dbraw/zinc/18/98/46/583189846.db2.gz FCDGEWGLDWJLTM-UHFFFAOYSA-N 2 2 235.335 0.436 20 0 BCADLP C[NH+]1CCC(C[N@H+]2CCn3ncnc3C2)CC1 ZINC000893660462 583189849 /nfs/dbraw/zinc/18/98/49/583189849.db2.gz FCDGEWGLDWJLTM-UHFFFAOYSA-N 2 2 235.335 0.436 20 0 BCADLP CC(=O)OC[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000893707814 583207815 /nfs/dbraw/zinc/20/78/15/583207815.db2.gz YTBXCDNQTZYLHB-MWLCHTKSSA-N 2 2 237.303 0.739 20 0 BCADLP Cn1ncc(C[NH+]2CCC3(CC[NH2+]3)CC2)n1 ZINC000857085207 588886655 /nfs/dbraw/zinc/88/66/55/588886655.db2.gz BDIWKCOPNGAHBG-UHFFFAOYSA-N 2 2 221.308 0.143 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cn1 ZINC000877743524 583346095 /nfs/dbraw/zinc/34/60/95/583346095.db2.gz KZJSKERULOOSEG-QWHCGFSZSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cn1 ZINC000877743524 583346096 /nfs/dbraw/zinc/34/60/96/583346096.db2.gz KZJSKERULOOSEG-QWHCGFSZSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cn1 ZINC000877743524 583346097 /nfs/dbraw/zinc/34/60/97/583346097.db2.gz KZJSKERULOOSEG-QWHCGFSZSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cn1 ZINC000877743524 583346098 /nfs/dbraw/zinc/34/60/98/583346098.db2.gz KZJSKERULOOSEG-QWHCGFSZSA-N 2 2 234.347 0.946 20 0 BCADLP Cc1cc[nH+]c(N)c1C[NH2+]CCC[S@](C)=O ZINC000894283491 583409994 /nfs/dbraw/zinc/40/99/94/583409994.db2.gz GKMCMZMVPHMOMH-INIZCTEOSA-N 2 2 241.360 0.830 20 0 BCADLP OC[C@@H](C[NH2+]Cc1c[nH+]c[nH]1)Cc1ccco1 ZINC000894338419 583427463 /nfs/dbraw/zinc/42/74/63/583427463.db2.gz CGZYWEBMFTWFSA-SNVBAGLBSA-N 2 2 235.287 0.944 20 0 BCADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)C(=O)NCc1ccco1 ZINC000894394506 583446846 /nfs/dbraw/zinc/44/68/46/583446846.db2.gz STRZXBBPIVHZPS-SECBINFHSA-N 2 2 248.286 0.797 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CN2CCC2=O)C1 ZINC000857234439 588899505 /nfs/dbraw/zinc/89/95/05/588899505.db2.gz QSPOHHQSLATGRZ-JTQLQIEISA-N 2 2 234.303 0.399 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CN2CCC2=O)C1 ZINC000857234439 588899506 /nfs/dbraw/zinc/89/95/06/588899506.db2.gz QSPOHHQSLATGRZ-JTQLQIEISA-N 2 2 234.303 0.399 20 0 BCADLP CC[NH+](CC)CCOCC[NH2+]Cc1c[nH+]c[nH]1 ZINC000894456515 583464095 /nfs/dbraw/zinc/46/40/95/583464095.db2.gz RXNULCFMZOOXLQ-UHFFFAOYSA-N 3 2 240.351 0.858 20 0 BCADLP CCOC(=O)N1CC[C@H]([NH2+]Cc2c[nH+]c[nH]2)C1 ZINC000894479650 583469951 /nfs/dbraw/zinc/46/99/51/583469951.db2.gz KAYJNWBWRBUDTQ-VIFPVBQESA-N 2 2 238.291 0.730 20 0 BCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCn1cncn1 ZINC000880131186 583471149 /nfs/dbraw/zinc/47/11/49/583471149.db2.gz HXYMUPHDNBXIPK-NWDGAFQWSA-N 2 2 235.335 0.447 20 0 BCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCn1cncn1 ZINC000880131186 583471150 /nfs/dbraw/zinc/47/11/50/583471150.db2.gz HXYMUPHDNBXIPK-NWDGAFQWSA-N 2 2 235.335 0.447 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCn1cncn1 ZINC000880131186 583471152 /nfs/dbraw/zinc/47/11/52/583471152.db2.gz HXYMUPHDNBXIPK-NWDGAFQWSA-N 2 2 235.335 0.447 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCn1cncn1 ZINC000880131186 583471154 /nfs/dbraw/zinc/47/11/54/583471154.db2.gz HXYMUPHDNBXIPK-NWDGAFQWSA-N 2 2 235.335 0.447 20 0 BCADLP COCCOC[C@@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000894957679 583559078 /nfs/dbraw/zinc/55/90/78/583559078.db2.gz YBDMZMQXQANVHG-LLVKDONJSA-N 2 2 230.352 0.722 20 0 BCADLP Cc1cnc(CC[NH2+]Cc2c[nH+]c[nH]2)cn1 ZINC000894967453 583560458 /nfs/dbraw/zinc/56/04/58/583560458.db2.gz PLZPSSRRPACVLV-UHFFFAOYSA-N 2 2 217.276 0.840 20 0 BCADLP O=C1[C@@H]([NH2+]Cc2c[nH+]c[nH]2)C[C@@H]2CCCCN12 ZINC000894970075 583560787 /nfs/dbraw/zinc/56/07/87/583560787.db2.gz VFJBNSATEYJIDJ-QWRGUYRKSA-N 2 2 234.303 0.653 20 0 BCADLP Cc1cc[nH+]c(N)c1C[NH+]1CC(C)(CO)C1 ZINC000894979853 583563544 /nfs/dbraw/zinc/56/35/44/583563544.db2.gz CLYRCKZTKODHGA-UHFFFAOYSA-N 2 2 221.304 0.786 20 0 BCADLP Cn1ncnc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000083970326 583581953 /nfs/dbraw/zinc/58/19/53/583581953.db2.gz GTWPKJFASGXPQL-UHFFFAOYSA-N 2 2 225.340 0.493 20 0 BCADLP OC[C@H](C[NH2+]Cc1c[nH+]c[nH]1)CC1CC1 ZINC000895279998 583635979 /nfs/dbraw/zinc/63/59/79/583635979.db2.gz YVVUOIYBDAAWTK-JTQLQIEISA-N 2 2 209.293 0.908 20 0 BCADLP CCn1c[nH+]cc1C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000895320739 583649570 /nfs/dbraw/zinc/64/95/70/583649570.db2.gz JDQOGQZPBYUBQF-SNVBAGLBSA-N 2 2 236.319 0.517 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C(=O)NCC2(C)C)CC[N@@H+]1C ZINC000895323099 583650041 /nfs/dbraw/zinc/65/00/41/583650041.db2.gz YJIYHSWAVOFPDF-VWYCJHECSA-N 2 2 239.363 0.583 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C(=O)NCC2(C)C)CC[N@H+]1C ZINC000895323099 583650043 /nfs/dbraw/zinc/65/00/43/583650043.db2.gz YJIYHSWAVOFPDF-VWYCJHECSA-N 2 2 239.363 0.583 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)n1C ZINC000895325378 583650958 /nfs/dbraw/zinc/65/09/58/583650958.db2.gz PIODSIORNKNGAW-RYUDHWBXSA-N 2 2 239.319 0.046 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)n1C ZINC000895325378 583650960 /nfs/dbraw/zinc/65/09/60/583650960.db2.gz PIODSIORNKNGAW-RYUDHWBXSA-N 2 2 239.319 0.046 20 0 BCADLP C[N@@H+](Cc1cc[nH]c(=O)c1)CC1C[NH+](C)C1 ZINC000895362640 583660880 /nfs/dbraw/zinc/66/08/80/583660880.db2.gz NBHYUGYTPSFRNM-UHFFFAOYSA-N 2 2 221.304 0.781 20 0 BCADLP C[N@H+](Cc1cc[nH]c(=O)c1)CC1C[NH+](C)C1 ZINC000895362640 583660882 /nfs/dbraw/zinc/66/08/82/583660882.db2.gz NBHYUGYTPSFRNM-UHFFFAOYSA-N 2 2 221.304 0.781 20 0 BCADLP C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000895428731 583668707 /nfs/dbraw/zinc/66/87/07/583668707.db2.gz VILGPBPCHBQKCC-LLVKDONJSA-N 2 2 239.363 0.633 20 0 BCADLP C[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000895428731 583668709 /nfs/dbraw/zinc/66/87/09/583668709.db2.gz VILGPBPCHBQKCC-LLVKDONJSA-N 2 2 239.363 0.633 20 0 BCADLP OC[C@H](C[C@H]1CCCO1)[NH2+]Cc1c[nH+]c[nH]1 ZINC000895746127 583716764 /nfs/dbraw/zinc/71/67/64/583716764.db2.gz CDLPCTJMESUERF-GXSJLCMTSA-N 2 2 225.292 0.429 20 0 BCADLP CN(C)c1cc(NC[C@H]2CC[N@@H+]2C)nc[nH+]1 ZINC000895766117 583719428 /nfs/dbraw/zinc/71/94/28/583719428.db2.gz BHHFCILDTRWDOI-SECBINFHSA-N 2 2 221.308 0.659 20 0 BCADLP CN(C)c1cc(NC[C@H]2CC[N@H+]2C)nc[nH+]1 ZINC000895766117 583719429 /nfs/dbraw/zinc/71/94/29/583719429.db2.gz BHHFCILDTRWDOI-SECBINFHSA-N 2 2 221.308 0.659 20 0 BCADLP C[N@@H+]1CC[C@H]1CNc1cc(-n2cc[nH+]c2)ncn1 ZINC000895771149 583725483 /nfs/dbraw/zinc/72/54/83/583725483.db2.gz HXRLGMYQGNVFJH-JTQLQIEISA-N 2 2 244.302 0.778 20 0 BCADLP C[N@H+]1CC[C@H]1CNc1cc(-n2cc[nH+]c2)ncn1 ZINC000895771149 583725484 /nfs/dbraw/zinc/72/54/84/583725484.db2.gz HXRLGMYQGNVFJH-JTQLQIEISA-N 2 2 244.302 0.778 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857984548 588928502 /nfs/dbraw/zinc/92/85/02/588928502.db2.gz JTSHFTNMVNXWBX-NXEZZACHSA-N 2 2 234.303 0.538 20 0 BCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857984548 588928504 /nfs/dbraw/zinc/92/85/04/588928504.db2.gz JTSHFTNMVNXWBX-NXEZZACHSA-N 2 2 234.303 0.538 20 0 BCADLP C[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc21)[NH+](C)C ZINC000857986898 588929288 /nfs/dbraw/zinc/92/92/88/588929288.db2.gz XSKOYMHCDWJKFK-IUCAKERBSA-N 2 2 222.292 0.394 20 0 BCADLP COCCOC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000896553618 583812231 /nfs/dbraw/zinc/81/22/31/583812231.db2.gz RCDYNOOGBLTFMS-SRVKXCTJSA-N 2 2 230.352 0.720 20 0 BCADLP COCCOC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000896553618 583812232 /nfs/dbraw/zinc/81/22/32/583812232.db2.gz RCDYNOOGBLTFMS-SRVKXCTJSA-N 2 2 230.352 0.720 20 0 BCADLP CCC[N@H+](C)CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896920090 583857537 /nfs/dbraw/zinc/85/75/37/583857537.db2.gz IBHZAOOLWCRLSH-UHFFFAOYSA-N 2 2 238.335 0.985 20 0 BCADLP CCC[N@@H+](C)CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896920090 583857538 /nfs/dbraw/zinc/85/75/38/583857538.db2.gz IBHZAOOLWCRLSH-UHFFFAOYSA-N 2 2 238.335 0.985 20 0 BCADLP OCc1cc(NCCn2cc[nH+]c2)cc[nH+]1 ZINC000858319242 588945133 /nfs/dbraw/zinc/94/51/33/588945133.db2.gz YUAOLMDHEOCLQH-UHFFFAOYSA-N 2 2 218.260 0.883 20 0 BCADLP CON(C)C(=O)[C@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000858319682 588945141 /nfs/dbraw/zinc/94/51/41/588945141.db2.gz PESZQDBTPYJOOM-QMMMGPOBSA-N 2 2 240.307 0.226 20 0 BCADLP CCCCOC(=O)CC[N@H+](C)C[C@H](C)[NH3+] ZINC000863569137 583992725 /nfs/dbraw/zinc/99/27/25/583992725.db2.gz SIOJISPIAGZNNW-JTQLQIEISA-N 2 2 216.325 0.999 20 0 BCADLP CCCCOC(=O)CC[N@@H+](C)C[C@H](C)[NH3+] ZINC000863569137 583992726 /nfs/dbraw/zinc/99/27/26/583992726.db2.gz SIOJISPIAGZNNW-JTQLQIEISA-N 2 2 216.325 0.999 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](C)[C@H](O)C2)n1C ZINC000897679935 584036999 /nfs/dbraw/zinc/03/69/99/584036999.db2.gz NFYHIPWAFJUWME-LDYMZIIASA-N 2 2 209.293 0.541 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)n1C ZINC000897679935 584037000 /nfs/dbraw/zinc/03/70/00/584037000.db2.gz NFYHIPWAFJUWME-LDYMZIIASA-N 2 2 209.293 0.541 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)n1C ZINC000897679933 584037419 /nfs/dbraw/zinc/03/74/19/584037419.db2.gz NFYHIPWAFJUWME-KCJUWKMLSA-N 2 2 209.293 0.541 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)n1C ZINC000897679933 584037421 /nfs/dbraw/zinc/03/74/21/584037421.db2.gz NFYHIPWAFJUWME-KCJUWKMLSA-N 2 2 209.293 0.541 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)c1cc[nH+]c(CO)c1 ZINC000858413221 588952453 /nfs/dbraw/zinc/95/24/53/588952453.db2.gz DCLQGPJSGGFMAV-UHFFFAOYSA-N 2 2 218.260 0.933 20 0 BCADLP CCn1c[nH+]cc1C[NH2+][C@@]1(C)CCNC1=O ZINC000897868962 584055551 /nfs/dbraw/zinc/05/55/51/584055551.db2.gz OCVZRTMKYVHPDV-NSHDSACASA-N 2 2 222.292 0.271 20 0 BCADLP C[C@@]1([NH2+]Cc2c[nH+]c3n2CCC3)CCNC1=O ZINC000897870132 584055885 /nfs/dbraw/zinc/05/58/85/584055885.db2.gz YAMPMCSSHBTRCP-GFCCVEGCSA-N 2 2 234.303 0.198 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+]CC[C@H](O)C2CC2)C1 ZINC000898202941 584090155 /nfs/dbraw/zinc/09/01/55/584090155.db2.gz GAEXNIMUOFGKJB-STQMWFEESA-N 2 2 242.363 0.458 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+]CC[C@H](O)C2CC2)C1 ZINC000898202941 584090158 /nfs/dbraw/zinc/09/01/58/584090158.db2.gz GAEXNIMUOFGKJB-STQMWFEESA-N 2 2 242.363 0.458 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](O)C2CC2)C1 ZINC000898202940 584090459 /nfs/dbraw/zinc/09/04/59/584090459.db2.gz GAEXNIMUOFGKJB-QWHCGFSZSA-N 2 2 242.363 0.458 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+]CC[C@@H](O)C2CC2)C1 ZINC000898202940 584090460 /nfs/dbraw/zinc/09/04/60/584090460.db2.gz GAEXNIMUOFGKJB-QWHCGFSZSA-N 2 2 242.363 0.458 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CC([NH+]2CCCC2)C1 ZINC000898613437 584146132 /nfs/dbraw/zinc/14/61/32/584146132.db2.gz IGQNPHACLWXDFK-UHFFFAOYSA-N 2 2 248.330 0.580 20 0 BCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000898810831 584159952 /nfs/dbraw/zinc/15/99/52/584159952.db2.gz PBULOKFZTFWMMZ-GHMZBOCLSA-N 2 2 248.330 0.786 20 0 BCADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000898810831 584159953 /nfs/dbraw/zinc/15/99/53/584159953.db2.gz PBULOKFZTFWMMZ-GHMZBOCLSA-N 2 2 248.330 0.786 20 0 BCADLP C[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)[NH+](C)C ZINC000898811853 584160240 /nfs/dbraw/zinc/16/02/40/584160240.db2.gz XSKOYMHCDWJKFK-RKDXNWHRSA-N 2 2 222.292 0.394 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000858549712 588964513 /nfs/dbraw/zinc/96/45/13/588964513.db2.gz ZTAQQDOEPXFVGM-FRRDWIJNSA-N 2 2 224.348 0.831 20 0 BCADLP O[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000858549712 588964514 /nfs/dbraw/zinc/96/45/14/588964514.db2.gz ZTAQQDOEPXFVGM-FRRDWIJNSA-N 2 2 224.348 0.831 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000858549711 588964539 /nfs/dbraw/zinc/96/45/39/588964539.db2.gz ZTAQQDOEPXFVGM-AGIUHOORSA-N 2 2 224.348 0.831 20 0 BCADLP O[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000858549711 588964540 /nfs/dbraw/zinc/96/45/40/588964540.db2.gz ZTAQQDOEPXFVGM-AGIUHOORSA-N 2 2 224.348 0.831 20 0 BCADLP CON(C)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000858580037 588968645 /nfs/dbraw/zinc/96/86/45/588968645.db2.gz VVVCLZBORGFMBM-OUAUKWLOSA-N 2 2 243.351 0.467 20 0 BCADLP CON(C)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000858580037 588968646 /nfs/dbraw/zinc/96/86/46/588968646.db2.gz VVVCLZBORGFMBM-OUAUKWLOSA-N 2 2 243.351 0.467 20 0 BCADLP C[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000899936150 584257709 /nfs/dbraw/zinc/25/77/09/584257709.db2.gz UHYQRJVUMUGXRV-UHFFFAOYSA-N 2 2 222.292 0.116 20 0 BCADLP C[N@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000899936150 584257712 /nfs/dbraw/zinc/25/77/12/584257712.db2.gz UHYQRJVUMUGXRV-UHFFFAOYSA-N 2 2 222.292 0.116 20 0 BCADLP Cn1c[nH+]c(/C=C/c2nc(C3([NH3+])CC3)no2)c1 ZINC000900017670 584266571 /nfs/dbraw/zinc/26/65/71/584266571.db2.gz PXMWFQOZBIAYNR-NSCUHMNNSA-N 2 2 231.259 0.921 20 0 BCADLP CN(C)c1cc(N[C@@H]2C[NH2+]CC2(C)C)nc[nH+]1 ZINC000900020865 584267397 /nfs/dbraw/zinc/26/73/97/584267397.db2.gz FMWCASGAYRMTGZ-SECBINFHSA-N 2 2 235.335 0.953 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000858602449 588970587 /nfs/dbraw/zinc/97/05/87/588970587.db2.gz ZTAQQDOEPXFVGM-AVGNSLFASA-N 2 2 224.348 0.831 20 0 BCADLP O[C@H]1CC[N@@H+](CC[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000858602449 588970588 /nfs/dbraw/zinc/97/05/88/588970588.db2.gz ZTAQQDOEPXFVGM-AVGNSLFASA-N 2 2 224.348 0.831 20 0 BCADLP C[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000900368033 584297392 /nfs/dbraw/zinc/29/73/92/584297392.db2.gz ZBKQRCGXFVWLKK-UHFFFAOYSA-N 2 2 222.292 0.163 20 0 BCADLP C[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000900368033 584297396 /nfs/dbraw/zinc/29/73/96/584297396.db2.gz ZBKQRCGXFVWLKK-UHFFFAOYSA-N 2 2 222.292 0.163 20 0 BCADLP C[N@H+](CCNC(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000900368033 584297398 /nfs/dbraw/zinc/29/73/98/584297398.db2.gz ZBKQRCGXFVWLKK-UHFFFAOYSA-N 2 2 222.292 0.163 20 0 BCADLP C[N@@H+](CCNC(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000900368033 584297400 /nfs/dbraw/zinc/29/74/00/584297400.db2.gz ZBKQRCGXFVWLKK-UHFFFAOYSA-N 2 2 222.292 0.163 20 0 BCADLP C[NH+]1CCC(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000900483421 584316318 /nfs/dbraw/zinc/31/63/18/584316318.db2.gz CXJXTWLFFKSXNN-UHFFFAOYSA-N 2 2 236.319 0.410 20 0 BCADLP C[NH+]1CCC(CNC(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900483421 584316319 /nfs/dbraw/zinc/31/63/19/584316319.db2.gz CXJXTWLFFKSXNN-UHFFFAOYSA-N 2 2 236.319 0.410 20 0 BCADLP C[N@@H+]1CCC[C@H](NC(=O)CNc2cccc[nH+]2)C1 ZINC000900589550 584328965 /nfs/dbraw/zinc/32/89/65/584328965.db2.gz KWKLPHWYUHHMDH-NSHDSACASA-N 2 2 248.330 0.704 20 0 BCADLP C[N@H+]1CCC[C@H](NC(=O)CNc2cccc[nH+]2)C1 ZINC000900589550 584328967 /nfs/dbraw/zinc/32/89/67/584328967.db2.gz KWKLPHWYUHHMDH-NSHDSACASA-N 2 2 248.330 0.704 20 0 BCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCF)CC1 ZINC000900955301 584370783 /nfs/dbraw/zinc/37/07/83/584370783.db2.gz ORWPYMWMJKGIEA-UHFFFAOYSA-N 2 2 245.342 0.488 20 0 BCADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH+]c[nH]2)C[N@@H+]1C1CC1 ZINC000900995152 584374868 /nfs/dbraw/zinc/37/48/68/584374868.db2.gz KKHXNMVBZMCTGF-GXSJLCMTSA-N 2 2 248.330 0.694 20 0 BCADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH+]c[nH]2)C[N@H+]1C1CC1 ZINC000900995152 584374869 /nfs/dbraw/zinc/37/48/69/584374869.db2.gz KKHXNMVBZMCTGF-GXSJLCMTSA-N 2 2 248.330 0.694 20 0 BCADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[N@@H+]1C1CC1 ZINC000900995152 584374870 /nfs/dbraw/zinc/37/48/70/584374870.db2.gz KKHXNMVBZMCTGF-GXSJLCMTSA-N 2 2 248.330 0.694 20 0 BCADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[N@H+]1C1CC1 ZINC000900995152 584374871 /nfs/dbraw/zinc/37/48/71/584374871.db2.gz KKHXNMVBZMCTGF-GXSJLCMTSA-N 2 2 248.330 0.694 20 0 BCADLP C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]c[nH]2)C[N@@H+]1C1CC1 ZINC000900995153 584375372 /nfs/dbraw/zinc/37/53/72/584375372.db2.gz KKHXNMVBZMCTGF-KOLCDFICSA-N 2 2 248.330 0.694 20 0 BCADLP C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]c[nH]2)C[N@H+]1C1CC1 ZINC000900995153 584375373 /nfs/dbraw/zinc/37/53/73/584375373.db2.gz KKHXNMVBZMCTGF-KOLCDFICSA-N 2 2 248.330 0.694 20 0 BCADLP C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[N@@H+]1C1CC1 ZINC000900995153 584375374 /nfs/dbraw/zinc/37/53/74/584375374.db2.gz KKHXNMVBZMCTGF-KOLCDFICSA-N 2 2 248.330 0.694 20 0 BCADLP C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[N@H+]1C1CC1 ZINC000900995153 584375375 /nfs/dbraw/zinc/37/53/75/584375375.db2.gz KKHXNMVBZMCTGF-KOLCDFICSA-N 2 2 248.330 0.694 20 0 BCADLP CN(CCCn1cc[nH+]c1)C(=O)Cc1c[nH+]c[nH]1 ZINC000901120052 584386309 /nfs/dbraw/zinc/38/63/09/584386309.db2.gz WSLAYCXHQRXDPX-UHFFFAOYSA-N 2 2 247.302 0.697 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901288973 584422523 /nfs/dbraw/zinc/42/25/23/584422523.db2.gz YOVRTXFPUVYUBH-VHSXEESVSA-N 2 2 236.319 0.503 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901288973 584422525 /nfs/dbraw/zinc/42/25/25/584422525.db2.gz YOVRTXFPUVYUBH-VHSXEESVSA-N 2 2 236.319 0.503 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)CN1CCOC1=O ZINC000902188887 584536204 /nfs/dbraw/zinc/53/62/04/584536204.db2.gz OUKRZVOVHMWXBB-UHFFFAOYSA-N 2 2 238.291 0.615 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)CN1CCOC1=O ZINC000902188887 584536206 /nfs/dbraw/zinc/53/62/06/584536206.db2.gz OUKRZVOVHMWXBB-UHFFFAOYSA-N 2 2 238.291 0.615 20 0 BCADLP Cn1c[nH+]cc1CCCO[NH+]=C(N)CCO ZINC000902333036 584562881 /nfs/dbraw/zinc/56/28/81/584562881.db2.gz PGFHXGZBABFRCJ-UHFFFAOYSA-N 2 2 226.280 0.234 20 0 BCADLP [NH3+]C1(CN[C@H](c2[nH]cc[nH+]2)c2cccnc2)CC1 ZINC000902407590 584574926 /nfs/dbraw/zinc/57/49/26/584574926.db2.gz REUFQFYAVAGEQV-NSHDSACASA-N 2 2 243.314 0.975 20 0 BCADLP [NH3+]C1(CN[C@@H](c2[nH]cc[nH+]2)c2cccnc2)CC1 ZINC000902407589 584575032 /nfs/dbraw/zinc/57/50/32/584575032.db2.gz REUFQFYAVAGEQV-LLVKDONJSA-N 2 2 243.314 0.975 20 0 BCADLP CC[NH2+]CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902390307 584580935 /nfs/dbraw/zinc/58/09/35/584580935.db2.gz JPSOJSDTSYESEM-LLVKDONJSA-N 3 2 213.369 0.964 20 0 BCADLP CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CC1([NH3+])CC1 ZINC000902413296 584599614 /nfs/dbraw/zinc/59/96/14/584599614.db2.gz JQKMXLOFQFDCLV-UWVGGRQHSA-N 2 2 246.376 0.423 20 0 BCADLP CCOC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902448371 584605388 /nfs/dbraw/zinc/60/53/88/584605388.db2.gz DPDKZXAXOHYUAX-NXEZZACHSA-N 2 2 200.326 0.999 20 0 BCADLP C[C@H](NCc1cn(C)c[nH+]1)[C@H]1CCC[NH2+]1 ZINC000902459595 584610654 /nfs/dbraw/zinc/61/06/54/584610654.db2.gz CVDTWMIPKLGADM-GXSJLCMTSA-N 2 2 208.309 0.650 20 0 BCADLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461729 584611563 /nfs/dbraw/zinc/61/15/63/584611563.db2.gz QJSIYTCAYOTOKK-JZRPKSSGSA-N 3 2 223.364 0.857 20 0 BCADLP C[C@H](Cc1cnccn1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902464055 584612351 /nfs/dbraw/zinc/61/23/51/584612351.db2.gz CHPTXADMLIFCOK-LYIQGSDWSA-N 2 2 232.331 0.890 20 0 BCADLP c1cn2c([nH+]1)[C@@H](N[C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)CC2 ZINC000902466847 584614523 /nfs/dbraw/zinc/61/45/23/584614523.db2.gz NRXHYLHHNRBSAP-VPOLOUISSA-N 2 2 218.304 0.810 20 0 BCADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902467646 584614659 /nfs/dbraw/zinc/61/46/59/584614659.db2.gz QJSIYTCAYOTOKK-CKIKVBCHSA-N 3 2 223.364 0.857 20 0 BCADLP C[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1[nH+]ccn1C ZINC000902471370 584616843 /nfs/dbraw/zinc/61/68/43/584616843.db2.gz OENSLGYZEAKBQH-LMLFDSFASA-N 2 2 220.320 0.964 20 0 BCADLP [NH3+]C[C@H]1C[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000902490803 584618134 /nfs/dbraw/zinc/61/81/34/584618134.db2.gz VXTQQVDWLNHTRL-OJAKKHQRSA-N 3 2 239.363 0.080 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902491352 584618184 /nfs/dbraw/zinc/61/81/84/584618184.db2.gz VTIJMDWJJGRTFW-PRULPYPASA-N 3 2 223.364 0.796 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902491352 584618186 /nfs/dbraw/zinc/61/81/86/584618186.db2.gz VTIJMDWJJGRTFW-PRULPYPASA-N 3 2 223.364 0.796 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC[C@@H](O)C1CC1 ZINC000902504285 584621330 /nfs/dbraw/zinc/62/13/30/584621330.db2.gz NGZOECXRFUCJDC-RAIGVLPGSA-N 2 2 242.363 0.504 20 0 BCADLP C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902485337 584624960 /nfs/dbraw/zinc/62/49/60/584624960.db2.gz ZZGCMANLQFHJML-QWRGUYRKSA-N 2 2 248.392 0.541 20 0 BCADLP C[NH+]1CCC([NH2+]Cc2csc(N)n2)CC1 ZINC000902486705 584626046 /nfs/dbraw/zinc/62/60/46/584626046.db2.gz BCOZXHBVLQBUFK-UHFFFAOYSA-N 2 2 226.349 0.909 20 0 BCADLP C(C[NH+]1CCCC1)[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903059439 584722765 /nfs/dbraw/zinc/72/27/65/584722765.db2.gz XOYLMRDMOVRAAM-QWHCGFSZSA-N 2 2 240.347 0.620 20 0 BCADLP C[NH+](C)CC[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903172121 584732486 /nfs/dbraw/zinc/73/24/86/584732486.db2.gz VUZDBDYNSLMXAH-WDEREUQCSA-N 2 2 214.309 0.086 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000903300097 584744137 /nfs/dbraw/zinc/74/41/37/584744137.db2.gz GDHBYFLLRDDIIH-HGCLJGPKSA-N 2 2 240.347 0.866 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000903300097 584744138 /nfs/dbraw/zinc/74/41/38/584744138.db2.gz GDHBYFLLRDDIIH-HGCLJGPKSA-N 2 2 240.347 0.866 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(=O)[nH]n1 ZINC000903302153 584744804 /nfs/dbraw/zinc/74/48/04/584744804.db2.gz WZJXGJUUHGPMIN-IQJOONFLSA-N 2 2 236.319 0.925 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(=O)[nH]n1 ZINC000903302153 584744805 /nfs/dbraw/zinc/74/48/05/584744805.db2.gz WZJXGJUUHGPMIN-IQJOONFLSA-N 2 2 236.319 0.925 20 0 BCADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)C(C)(C)O ZINC000903390799 584758045 /nfs/dbraw/zinc/75/80/45/584758045.db2.gz JXZKGSBHDDUVDC-LPEHRKFASA-N 2 2 200.326 0.686 20 0 BCADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)C(C)(C)O ZINC000903390799 584758046 /nfs/dbraw/zinc/75/80/46/584758046.db2.gz JXZKGSBHDDUVDC-LPEHRKFASA-N 2 2 200.326 0.686 20 0 BCADLP C[C@H](c1ncccn1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000903422870 584764476 /nfs/dbraw/zinc/76/44/76/584764476.db2.gz KSNYCZZTOQJCON-GFCCVEGCSA-N 2 2 249.362 0.375 20 0 BCADLP C[C@H](c1ncccn1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000903422870 584764478 /nfs/dbraw/zinc/76/44/78/584764478.db2.gz KSNYCZZTOQJCON-GFCCVEGCSA-N 2 2 249.362 0.375 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000903425031 584765498 /nfs/dbraw/zinc/76/54/98/584765498.db2.gz PCBAKNLYLPLKCY-NOOOWODRSA-N 3 2 211.353 0.511 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000903425031 584765500 /nfs/dbraw/zinc/76/55/00/584765500.db2.gz PCBAKNLYLPLKCY-NOOOWODRSA-N 3 2 211.353 0.511 20 0 BCADLP CON1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1=O ZINC000903459054 584765686 /nfs/dbraw/zinc/76/56/86/584765686.db2.gz ABUPCCYDKMEENF-OPRDCNLKSA-N 2 2 227.308 0.008 20 0 BCADLP C(C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)OC1CC1 ZINC000903459915 584766899 /nfs/dbraw/zinc/76/68/99/584766899.db2.gz QTDWURGFAXBSRF-GFCCVEGCSA-N 2 2 210.321 0.993 20 0 BCADLP C(C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)OC1CC1 ZINC000903459915 584766900 /nfs/dbraw/zinc/76/69/00/584766900.db2.gz QTDWURGFAXBSRF-GFCCVEGCSA-N 2 2 210.321 0.993 20 0 BCADLP COC(=O)[C@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903454882 584773365 /nfs/dbraw/zinc/77/33/65/584773365.db2.gz MHYQNBOHXAZPQK-GRYCIOLGSA-N 2 2 240.347 0.869 20 0 BCADLP COC(=O)[C@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903454882 584773366 /nfs/dbraw/zinc/77/33/66/584773366.db2.gz MHYQNBOHXAZPQK-GRYCIOLGSA-N 2 2 240.347 0.869 20 0 BCADLP COC(=O)C[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903454595 584773692 /nfs/dbraw/zinc/77/36/92/584773692.db2.gz DPPXZIMJPMEZKX-GHMZBOCLSA-N 2 2 226.320 0.766 20 0 BCADLP COC(=O)C[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903454595 584773694 /nfs/dbraw/zinc/77/36/94/584773694.db2.gz DPPXZIMJPMEZKX-GHMZBOCLSA-N 2 2 226.320 0.766 20 0 BCADLP COCCOCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903469881 584774803 /nfs/dbraw/zinc/77/48/03/584774803.db2.gz CHAVWDTXMXSKTJ-NSHDSACASA-N 2 2 228.336 0.524 20 0 BCADLP CCN1CC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1=O ZINC000903472020 584776019 /nfs/dbraw/zinc/77/60/19/584776019.db2.gz PGVLBXYQQIVSJL-MNOVXSKESA-N 2 2 237.347 0.481 20 0 BCADLP CCN(C)C(=O)CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903472704 584776254 /nfs/dbraw/zinc/77/62/54/584776254.db2.gz VCQXJDNLNDHJJK-NSHDSACASA-N 2 2 239.363 0.729 20 0 BCADLP CCOC(=O)CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903472582 584776361 /nfs/dbraw/zinc/77/63/61/584776361.db2.gz SNQMQNOKJAPUNW-JTQLQIEISA-N 2 2 226.320 0.814 20 0 BCADLP CONC(=O)C1CC[NH+](C[C@H]2CCC[NH2+]2)CC1 ZINC000903478670 584777910 /nfs/dbraw/zinc/77/79/10/584777910.db2.gz KXYLKQNUEMGDQJ-LLVKDONJSA-N 2 2 241.335 0.128 20 0 BCADLP CCCNC(=O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903464782 584779442 /nfs/dbraw/zinc/77/94/42/584779442.db2.gz BOBIMVYANHEOPH-JTQLQIEISA-N 2 2 225.336 0.387 20 0 BCADLP CN(C)C(=O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903484016 584779644 /nfs/dbraw/zinc/77/96/44/584779644.db2.gz NRARXPACNTWNRN-JTQLQIEISA-N 2 2 225.336 0.339 20 0 BCADLP CC(C)NC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903466570 584779920 /nfs/dbraw/zinc/77/99/20/584779920.db2.gz WFJHGIBBRKRRDQ-SNVBAGLBSA-N 2 2 225.336 0.385 20 0 BCADLP O=C(C[NH2+][C@H]1CC[NH2+]C12CCCC2)NC1CC1 ZINC000903487654 584780253 /nfs/dbraw/zinc/78/02/53/584780253.db2.gz HMQVQRJEFMKZPN-NSHDSACASA-N 2 2 237.347 0.529 20 0 BCADLP C[NH2+]CCC[N@@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000903490863 584780792 /nfs/dbraw/zinc/78/07/92/584780792.db2.gz KMEOWSWJNMZKIU-SNVBAGLBSA-N 2 2 224.308 0.777 20 0 BCADLP C[NH2+]CCC[N@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000903490863 584780794 /nfs/dbraw/zinc/78/07/94/584780794.db2.gz KMEOWSWJNMZKIU-SNVBAGLBSA-N 2 2 224.308 0.777 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717039 584792383 /nfs/dbraw/zinc/79/23/83/584792383.db2.gz XSFJRORIOWECCT-GRYCIOLGSA-N 3 2 227.352 0.034 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717039 584792384 /nfs/dbraw/zinc/79/23/84/584792384.db2.gz XSFJRORIOWECCT-GRYCIOLGSA-N 3 2 227.352 0.034 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000903717115 584792592 /nfs/dbraw/zinc/79/25/92/584792592.db2.gz GZUQBTIPDXROMT-HBNTYKKESA-N 2 2 226.320 0.609 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000903717115 584792593 /nfs/dbraw/zinc/79/25/93/584792593.db2.gz GZUQBTIPDXROMT-HBNTYKKESA-N 2 2 226.320 0.609 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000903753581 584795967 /nfs/dbraw/zinc/79/59/67/584795967.db2.gz WLTDMPSFESEKMR-UHFZAUJKSA-N 2 2 226.320 0.212 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000903753581 584795968 /nfs/dbraw/zinc/79/59/68/584795968.db2.gz WLTDMPSFESEKMR-UHFZAUJKSA-N 2 2 226.320 0.212 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)CCCO1 ZINC000903760996 584797110 /nfs/dbraw/zinc/79/71/10/584797110.db2.gz MLLOBPMXQFHPEZ-STQMWFEESA-N 3 2 241.379 0.426 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)CCCO1 ZINC000903760996 584797111 /nfs/dbraw/zinc/79/71/11/584797111.db2.gz MLLOBPMXQFHPEZ-STQMWFEESA-N 3 2 241.379 0.426 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)CCCO1 ZINC000903760993 584797519 /nfs/dbraw/zinc/79/75/19/584797519.db2.gz MLLOBPMXQFHPEZ-CHWSQXEVSA-N 3 2 241.379 0.426 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)CCCO1 ZINC000903760993 584797521 /nfs/dbraw/zinc/79/75/21/584797521.db2.gz MLLOBPMXQFHPEZ-CHWSQXEVSA-N 3 2 241.379 0.426 20 0 BCADLP CC[N@H+](CC[NH3+])C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903769366 584797756 /nfs/dbraw/zinc/79/77/56/584797756.db2.gz DWTMHHQVPLYVDS-NWDGAFQWSA-N 3 2 227.352 0.036 20 0 BCADLP CC[N@@H+](CC[NH3+])C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903769366 584797757 /nfs/dbraw/zinc/79/77/57/584797757.db2.gz DWTMHHQVPLYVDS-NWDGAFQWSA-N 3 2 227.352 0.036 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903779158 584799601 /nfs/dbraw/zinc/79/96/01/584799601.db2.gz UYYVCSNXMKEMNZ-GRYCIOLGSA-N 3 2 211.353 0.798 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903779158 584799602 /nfs/dbraw/zinc/79/96/02/584799602.db2.gz UYYVCSNXMKEMNZ-GRYCIOLGSA-N 3 2 211.353 0.798 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000903782330 584800367 /nfs/dbraw/zinc/80/03/67/584800367.db2.gz KWYOQXTULVXLES-QJPTWQEYSA-N 3 2 241.379 0.159 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000903823198 584804371 /nfs/dbraw/zinc/80/43/71/584804371.db2.gz CXUPETRFRHORSG-QWHCGFSZSA-N 2 2 242.363 0.866 20 0 BCADLP C[NH2+]CCC[N@H+]1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000903823198 584804372 /nfs/dbraw/zinc/80/43/72/584804372.db2.gz CXUPETRFRHORSG-QWHCGFSZSA-N 2 2 242.363 0.866 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000903824400 584804487 /nfs/dbraw/zinc/80/44/87/584804487.db2.gz PZCALANERMXUKO-STQMWFEESA-N 2 2 242.363 0.723 20 0 BCADLP C[NH2+]CCC[N@H+]1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000903824400 584804488 /nfs/dbraw/zinc/80/44/88/584804488.db2.gz PZCALANERMXUKO-STQMWFEESA-N 2 2 242.363 0.723 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000903823197 584804672 /nfs/dbraw/zinc/80/46/72/584804672.db2.gz CXUPETRFRHORSG-OLZOCXBDSA-N 2 2 242.363 0.866 20 0 BCADLP C[NH2+]CCC[N@H+]1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000903823197 584804674 /nfs/dbraw/zinc/80/46/74/584804674.db2.gz CXUPETRFRHORSG-OLZOCXBDSA-N 2 2 242.363 0.866 20 0 BCADLP C[C@@H]1CCOCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000903830933 584805658 /nfs/dbraw/zinc/80/56/58/584805658.db2.gz BQNLJHUBFUEYHJ-GHMZBOCLSA-N 2 2 214.309 0.086 20 0 BCADLP C[C@@H]1CCOCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000903830933 584805660 /nfs/dbraw/zinc/80/56/60/584805660.db2.gz BQNLJHUBFUEYHJ-GHMZBOCLSA-N 2 2 214.309 0.086 20 0 BCADLP COCC[C@@H]1C[NH2+]CCN1Cc1c[nH+]cn1C ZINC000903836664 584806821 /nfs/dbraw/zinc/80/68/21/584806821.db2.gz RKOXNPVHMLSGQC-LLVKDONJSA-N 2 2 238.335 0.230 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])cn1 ZINC000903853093 584808110 /nfs/dbraw/zinc/80/81/10/584808110.db2.gz DFAGJURDLRBDGE-VXGBXAGGSA-N 2 2 220.320 0.733 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])cn1 ZINC000903853093 584808111 /nfs/dbraw/zinc/80/81/11/584808111.db2.gz DFAGJURDLRBDGE-VXGBXAGGSA-N 2 2 220.320 0.733 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])cn1 ZINC000903853087 584808135 /nfs/dbraw/zinc/80/81/35/584808135.db2.gz DFAGJURDLRBDGE-NEPJUHHUSA-N 2 2 220.320 0.733 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])cn1 ZINC000903853087 584808137 /nfs/dbraw/zinc/80/81/37/584808137.db2.gz DFAGJURDLRBDGE-NEPJUHHUSA-N 2 2 220.320 0.733 20 0 BCADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2C[C@@H](O)C(F)(F)F ZINC000903856972 584810274 /nfs/dbraw/zinc/81/02/74/584810274.db2.gz BPHCYXCGFZSXFZ-DJLDLDEBSA-N 2 2 238.253 0.723 20 0 BCADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2C[C@@H](O)C(F)(F)F ZINC000903856972 584810275 /nfs/dbraw/zinc/81/02/75/584810275.db2.gz BPHCYXCGFZSXFZ-DJLDLDEBSA-N 2 2 238.253 0.723 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903858907 584810991 /nfs/dbraw/zinc/81/09/91/584810991.db2.gz KCGKBJLTEKYPFH-VOAKCMCISA-N 3 2 223.364 0.655 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903858907 584810992 /nfs/dbraw/zinc/81/09/92/584810992.db2.gz KCGKBJLTEKYPFH-VOAKCMCISA-N 3 2 223.364 0.655 20 0 BCADLP CCOC(=O)CC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903859146 584811143 /nfs/dbraw/zinc/81/11/43/584811143.db2.gz LGQUOJLFAZJXCH-ZYHUDNBSSA-N 2 2 226.320 0.753 20 0 BCADLP CCOC(=O)CC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903859146 584811144 /nfs/dbraw/zinc/81/11/44/584811144.db2.gz LGQUOJLFAZJXCH-ZYHUDNBSSA-N 2 2 226.320 0.753 20 0 BCADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@@H](O)C1 ZINC000903873163 584815205 /nfs/dbraw/zinc/81/52/05/584815205.db2.gz LOELXGDKDOMFAG-HTQZYQBOSA-N 2 2 208.252 0.426 20 0 BCADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@@H](O)C1 ZINC000903873163 584815206 /nfs/dbraw/zinc/81/52/06/584815206.db2.gz LOELXGDKDOMFAG-HTQZYQBOSA-N 2 2 208.252 0.426 20 0 BCADLP NC(=O)CC1CC[NH+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903883302 584818283 /nfs/dbraw/zinc/81/82/83/584818283.db2.gz HHYQDZSUCCGYGS-VIFPVBQESA-N 2 2 249.305 0.556 20 0 BCADLP CC[C@@H]1C(=O)NCCC[N@H+]1CCC[NH2+]C1CC1 ZINC000903882624 584818337 /nfs/dbraw/zinc/81/83/37/584818337.db2.gz OWRBNMWTFHYDEM-GFCCVEGCSA-N 2 2 239.363 0.729 20 0 BCADLP CC[C@@H]1C(=O)NCCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000903882624 584818338 /nfs/dbraw/zinc/81/83/38/584818338.db2.gz OWRBNMWTFHYDEM-GFCCVEGCSA-N 2 2 239.363 0.729 20 0 BCADLP CNC(=O)[C@H]1CCC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903892712 584819005 /nfs/dbraw/zinc/81/90/05/584819005.db2.gz LZKMHHBTRSBQCB-DTWKUNHWSA-N 2 2 249.305 0.427 20 0 BCADLP CNC(=O)[C@H]1CCC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903892712 584819006 /nfs/dbraw/zinc/81/90/06/584819006.db2.gz LZKMHHBTRSBQCB-DTWKUNHWSA-N 2 2 249.305 0.427 20 0 BCADLP C[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903913099 584822723 /nfs/dbraw/zinc/82/27/23/584822723.db2.gz LYKWEYSLLHQYRX-GJMOJQLCSA-N 2 2 208.252 0.424 20 0 BCADLP C[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903913099 584822725 /nfs/dbraw/zinc/82/27/25/584822725.db2.gz LYKWEYSLLHQYRX-GJMOJQLCSA-N 2 2 208.252 0.424 20 0 BCADLP CCN(C)C(=O)[C@@H](C)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903926587 584824620 /nfs/dbraw/zinc/82/46/20/584824620.db2.gz MQRDELYQIRODRV-SFYZADRCSA-N 2 2 237.294 0.425 20 0 BCADLP C[C@@H]1C[N@H+](C[C@H]([NH3+])CC(F)F)C[C@H]1C[NH3+] ZINC000903936149 584825712 /nfs/dbraw/zinc/82/57/12/584825712.db2.gz YTLHQIZYDZLRGC-IWSPIJDZSA-N 3 2 221.295 0.496 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@H]([NH3+])CC(F)F)C[C@H]1C[NH3+] ZINC000903936149 584825713 /nfs/dbraw/zinc/82/57/13/584825713.db2.gz YTLHQIZYDZLRGC-IWSPIJDZSA-N 3 2 221.295 0.496 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccc2c(c1)nnn2C ZINC000903960288 584828473 /nfs/dbraw/zinc/82/84/73/584828473.db2.gz CCWFRORTTOJWHA-BXKDBHETSA-N 2 2 245.330 0.666 20 0 BCADLP C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903949869 584830024 /nfs/dbraw/zinc/83/00/24/584830024.db2.gz FZNQVYOTQGQUMW-GZMMTYOYSA-N 2 2 207.277 0.931 20 0 BCADLP [NH3+][C@H](CC(F)F)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000903953166 584831621 /nfs/dbraw/zinc/83/16/21/584831621.db2.gz BMRAZNZWQMUBSN-JLIMGVALSA-N 2 2 234.290 0.672 20 0 BCADLP [NH3+][C@H](CC(F)F)C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000903953166 584831622 /nfs/dbraw/zinc/83/16/22/584831622.db2.gz BMRAZNZWQMUBSN-JLIMGVALSA-N 2 2 234.290 0.672 20 0 BCADLP Cn1nccc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955360 584832187 /nfs/dbraw/zinc/83/21/87/584832187.db2.gz PYRHAUGBQRVMCB-SECBINFHSA-N 2 2 244.289 0.755 20 0 BCADLP Cn1nccc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955361 584832206 /nfs/dbraw/zinc/83/22/06/584832206.db2.gz PYRHAUGBQRVMCB-VIFPVBQESA-N 2 2 244.289 0.755 20 0 BCADLP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1cc[nH]n1 ZINC000903955318 584832210 /nfs/dbraw/zinc/83/22/10/584832210.db2.gz PAKNPFKVAJELDQ-MRVPVSSYSA-N 2 2 230.262 0.744 20 0 BCADLP C1CC1[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000903986753 584835398 /nfs/dbraw/zinc/83/53/98/584835398.db2.gz REQWMNUGJIAYLP-TUAOUCFPSA-N 2 2 210.321 0.896 20 0 BCADLP C[C@@H]1C[N@H+](Cc2ccc(N)nn2)CC[C@@H]1[NH3+] ZINC000904299320 584860176 /nfs/dbraw/zinc/86/01/76/584860176.db2.gz BEOZACHANBJFGS-SCZZXKLOSA-N 2 2 221.308 0.228 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2ccc(N)nn2)CC[C@@H]1[NH3+] ZINC000904299320 584860177 /nfs/dbraw/zinc/86/01/77/584860177.db2.gz BEOZACHANBJFGS-SCZZXKLOSA-N 2 2 221.308 0.228 20 0 BCADLP CC[C@@H]1C(=O)NCC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000904315919 584860361 /nfs/dbraw/zinc/86/03/61/584860361.db2.gz INVWAVLKCZPWOU-YPMHNXCESA-N 2 2 239.363 0.587 20 0 BCADLP CC[C@@H]1C(=O)NCC[N@@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000904315919 584860362 /nfs/dbraw/zinc/86/03/62/584860362.db2.gz INVWAVLKCZPWOU-YPMHNXCESA-N 2 2 239.363 0.587 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(N)nn2)C1 ZINC000904299816 584860592 /nfs/dbraw/zinc/86/05/92/584860592.db2.gz PAHVKHPAYACPDX-SNVBAGLBSA-N 2 2 235.335 0.490 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(N)nn2)C1 ZINC000904299816 584860593 /nfs/dbraw/zinc/86/05/93/584860593.db2.gz PAHVKHPAYACPDX-SNVBAGLBSA-N 2 2 235.335 0.490 20 0 BCADLP CC(=O)N1CC[NH+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904301400 584861326 /nfs/dbraw/zinc/86/13/26/584861326.db2.gz GLVWWOYIHMFWDI-CYBMUJFWSA-N 2 2 239.363 0.540 20 0 BCADLP CC[N@H+](CC(=O)NC)C[C@@]1(C)CCC[NH2+]C1 ZINC000904308615 584862860 /nfs/dbraw/zinc/86/28/60/584862860.db2.gz SPNMQJAZNGXGEN-LBPRGKRZSA-N 2 2 227.352 0.444 20 0 BCADLP CC[N@@H+](CC(=O)NC)C[C@@]1(C)CCC[NH2+]C1 ZINC000904308615 584862862 /nfs/dbraw/zinc/86/28/62/584862862.db2.gz SPNMQJAZNGXGEN-LBPRGKRZSA-N 2 2 227.352 0.444 20 0 BCADLP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(N)nn2)C1 ZINC000904333805 584866867 /nfs/dbraw/zinc/86/68/67/584866867.db2.gz GUVFDNOXIFNVBQ-LLVKDONJSA-N 2 2 221.308 0.230 20 0 BCADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(N)nn2)C1 ZINC000904333805 584866868 /nfs/dbraw/zinc/86/68/68/584866868.db2.gz GUVFDNOXIFNVBQ-LLVKDONJSA-N 2 2 221.308 0.230 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@@H](CO)O1 ZINC000904345496 584868071 /nfs/dbraw/zinc/86/80/71/584868071.db2.gz FWOLLEDNKZEFEC-AGIUHOORSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@@H](CO)O1 ZINC000904345496 584868072 /nfs/dbraw/zinc/86/80/72/584868072.db2.gz FWOLLEDNKZEFEC-AGIUHOORSA-N 2 2 242.363 0.458 20 0 BCADLP C[N@@H+]1CCN(Cc2ccc(C[NH3+])cc2)[C@H](C[NH3+])C1 ZINC000904350376 584868854 /nfs/dbraw/zinc/86/88/54/584868854.db2.gz JUNBXPUXWAKNOZ-CQSZACIVSA-N 3 2 248.374 0.220 20 0 BCADLP C[N@H+]1CCN(Cc2ccc(C[NH3+])cc2)[C@H](C[NH3+])C1 ZINC000904350376 584868855 /nfs/dbraw/zinc/86/88/55/584868855.db2.gz JUNBXPUXWAKNOZ-CQSZACIVSA-N 3 2 248.374 0.220 20 0 BCADLP CC(C)[C@H]([NH3+])C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904350470 584868882 /nfs/dbraw/zinc/86/88/82/584868882.db2.gz MBGBQUATHCZMEV-VXGBXAGGSA-N 3 2 213.369 0.949 20 0 BCADLP CCC([NH3+])(CC)C[NH2+]Cc1ccc(N)nn1 ZINC000904349624 584868969 /nfs/dbraw/zinc/86/89/69/584868969.db2.gz BUUJNCFMPIHOEU-UHFFFAOYSA-N 2 2 223.324 0.666 20 0 BCADLP c1cn(C2CC2)c(CN[C@@H]2CC[NH2+]C2)[nH+]1 ZINC000904353203 584869881 /nfs/dbraw/zinc/86/98/81/584869881.db2.gz IKERSMJIVSYARL-SECBINFHSA-N 2 2 206.293 0.670 20 0 BCADLP [NH3+]Cc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000904354493 584870499 /nfs/dbraw/zinc/87/04/99/584870499.db2.gz ZZRIQJKTSOQZBS-ZDUSSCGKSA-N 3 2 219.332 0.987 20 0 BCADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(N)nn1 ZINC000904356024 584871389 /nfs/dbraw/zinc/87/13/89/584871389.db2.gz ZUYKOPCSEMKPKA-SNVBAGLBSA-N 2 2 235.335 0.537 20 0 BCADLP C[C@@]1(C[NH2+]C[C@@H]2C[NH2+]CCCO2)CCC[NH2+]C1 ZINC000904357722 584872123 /nfs/dbraw/zinc/87/21/23/584872123.db2.gz ANMRJVWTGUFTHO-QWHCGFSZSA-N 3 2 241.379 0.344 20 0 BCADLP C[NH2+]CCC[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904372531 584874006 /nfs/dbraw/zinc/87/40/06/584874006.db2.gz DUWVYLOUHMCVQS-GFCCVEGCSA-N 3 2 213.369 0.917 20 0 BCADLP C[NH2+]CCC[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904372531 584874007 /nfs/dbraw/zinc/87/40/07/584874007.db2.gz DUWVYLOUHMCVQS-GFCCVEGCSA-N 3 2 213.369 0.917 20 0 BCADLP Nc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])nn1 ZINC000904374513 584874041 /nfs/dbraw/zinc/87/40/41/584874041.db2.gz SKALXQDLRLGHFR-NXEZZACHSA-N 2 2 221.308 0.418 20 0 BCADLP CCC[C@H](C)CN1CC[NH2+]CC[NH2+]CC1 ZINC000904396664 584875213 /nfs/dbraw/zinc/87/52/13/584875213.db2.gz MIVVVGRSWTUTBN-LBPRGKRZSA-N 2 2 213.369 0.917 20 0 BCADLP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@@H]1CNOC1 ZINC000904424132 584880985 /nfs/dbraw/zinc/88/09/85/584880985.db2.gz NBQVJLGMUBQRAY-VHSXEESVSA-N 2 2 215.341 0.633 20 0 BCADLP c1nc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)co1 ZINC000904420888 584882215 /nfs/dbraw/zinc/88/22/15/584882215.db2.gz XJHHFIJEFWTDHT-VHSXEESVSA-N 2 2 207.277 0.716 20 0 BCADLP c1nc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)co1 ZINC000904420888 584882216 /nfs/dbraw/zinc/88/22/16/584882216.db2.gz XJHHFIJEFWTDHT-VHSXEESVSA-N 2 2 207.277 0.716 20 0 BCADLP CC(C)C[C@H](C(=O)N[C@@H](C)C[NH3+])n1cc[nH+]c1 ZINC000876830426 584887161 /nfs/dbraw/zinc/88/71/61/584887161.db2.gz JOEFITWZYWXHCM-WDEREUQCSA-N 2 2 238.335 0.934 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CN2CCCC2=O)C1 ZINC000743400417 585136508 /nfs/dbraw/zinc/13/65/08/585136508.db2.gz SHRGJYKCNRKRLU-LBPRGKRZSA-N 2 2 239.363 0.840 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CN2CCCC2=O)C1 ZINC000743400417 585136509 /nfs/dbraw/zinc/13/65/09/585136509.db2.gz SHRGJYKCNRKRLU-LBPRGKRZSA-N 2 2 239.363 0.840 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CN2CCCC2=O)C1 ZINC000743400417 585136510 /nfs/dbraw/zinc/13/65/10/585136510.db2.gz SHRGJYKCNRKRLU-LBPRGKRZSA-N 2 2 239.363 0.840 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CN2CCCC2=O)C1 ZINC000743400417 585136511 /nfs/dbraw/zinc/13/65/11/585136511.db2.gz SHRGJYKCNRKRLU-LBPRGKRZSA-N 2 2 239.363 0.840 20 0 BCADLP CC[C@H](C(=O)N1CC[N@H+](C)[C@H](C)C1)[NH+](C)C ZINC000754466476 585285115 /nfs/dbraw/zinc/28/51/15/585285115.db2.gz ADSDRVOHODXCES-GHMZBOCLSA-N 2 2 227.352 0.489 20 0 BCADLP CC[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000754466476 585285116 /nfs/dbraw/zinc/28/51/16/585285116.db2.gz ADSDRVOHODXCES-GHMZBOCLSA-N 2 2 227.352 0.489 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCNc1ncccn1 ZINC000756125615 585314936 /nfs/dbraw/zinc/31/49/36/585314936.db2.gz BBSGMNQJVAEHLA-NWDGAFQWSA-N 2 2 249.362 0.818 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCNc1ncccn1 ZINC000756125615 585314937 /nfs/dbraw/zinc/31/49/37/585314937.db2.gz BBSGMNQJVAEHLA-NWDGAFQWSA-N 2 2 249.362 0.818 20 0 BCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCNC(=O)C1 ZINC000760830468 585398549 /nfs/dbraw/zinc/39/85/49/585398549.db2.gz GZQJZQZTEOQILO-LBPRGKRZSA-N 2 2 239.363 0.683 20 0 BCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCNC(=O)C1 ZINC000760830468 585398550 /nfs/dbraw/zinc/39/85/50/585398550.db2.gz GZQJZQZTEOQILO-LBPRGKRZSA-N 2 2 239.363 0.683 20 0 BCADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCNC(=O)C1 ZINC000760830468 585398551 /nfs/dbraw/zinc/39/85/51/585398551.db2.gz GZQJZQZTEOQILO-LBPRGKRZSA-N 2 2 239.363 0.683 20 0 BCADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCCNC(=O)C1 ZINC000760830468 585398552 /nfs/dbraw/zinc/39/85/52/585398552.db2.gz GZQJZQZTEOQILO-LBPRGKRZSA-N 2 2 239.363 0.683 20 0 BCADLP C[C@@H]1CN(Cc2[nH+]ccn2C)CC[N@@H+]1C ZINC000761081459 585407275 /nfs/dbraw/zinc/40/72/75/585407275.db2.gz ZAVAVMLSKDQYAU-SNVBAGLBSA-N 2 2 208.309 0.556 20 0 BCADLP C[C@@H]1CN(Cc2[nH+]ccn2C)CC[N@H+]1C ZINC000761081459 585407276 /nfs/dbraw/zinc/40/72/76/585407276.db2.gz ZAVAVMLSKDQYAU-SNVBAGLBSA-N 2 2 208.309 0.556 20 0 BCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC2(C)C)[C@H](C[NH3+])C1 ZINC000300215316 585501543 /nfs/dbraw/zinc/50/15/43/585501543.db2.gz ZGDNYBFYYFNDIJ-ZJUUUORDSA-N 2 2 225.336 0.134 20 0 BCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC2(C)C)[C@H](C[NH3+])C1 ZINC000300215316 585501544 /nfs/dbraw/zinc/50/15/44/585501544.db2.gz ZGDNYBFYYFNDIJ-ZJUUUORDSA-N 2 2 225.336 0.134 20 0 BCADLP C[N@@H+]1CCCC[C@H]1C(=O)OCCn1cc[nH+]c1 ZINC000771978804 585606146 /nfs/dbraw/zinc/60/61/46/585606146.db2.gz PBQZJSHCEBGZSQ-NSHDSACASA-N 2 2 237.303 0.911 20 0 BCADLP C[N@H+]1CCCC[C@H]1C(=O)OCCn1cc[nH+]c1 ZINC000771978804 585606147 /nfs/dbraw/zinc/60/61/47/585606147.db2.gz PBQZJSHCEBGZSQ-NSHDSACASA-N 2 2 237.303 0.911 20 0 BCADLP CC[N@@H+]1CCO[C@H](C(=O)OCCC[NH+](C)C)C1 ZINC000805471971 585624407 /nfs/dbraw/zinc/62/44/07/585624407.db2.gz YVTGDBOFTVGLNW-NSHDSACASA-N 2 2 244.335 0.202 20 0 BCADLP CC[N@H+]1CCO[C@H](C(=O)OCCC[NH+](C)C)C1 ZINC000805471971 585624408 /nfs/dbraw/zinc/62/44/08/585624408.db2.gz YVTGDBOFTVGLNW-NSHDSACASA-N 2 2 244.335 0.202 20 0 BCADLP COCC[C@@]1([NH2+]CC[NH+]2CCCC2)CCOC1 ZINC000773947676 585646892 /nfs/dbraw/zinc/64/68/92/585646892.db2.gz CXJHPGHHFZINNL-CYBMUJFWSA-N 2 2 242.363 0.867 20 0 BCADLP O=CN1CCC([NH2+]CC[NH+]2CCCCC2)CC1 ZINC000774115045 585650845 /nfs/dbraw/zinc/65/08/45/585650845.db2.gz KBKMVZPKQMZCJZ-UHFFFAOYSA-N 2 2 239.363 0.683 20 0 BCADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cn2cnnc2)C1 ZINC000776760875 585704857 /nfs/dbraw/zinc/70/48/57/585704857.db2.gz WTSNAMWUAJADRR-GFCCVEGCSA-N 2 2 237.351 0.899 20 0 BCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cn2cnnc2)C1 ZINC000776760875 585704858 /nfs/dbraw/zinc/70/48/58/585704858.db2.gz WTSNAMWUAJADRR-GFCCVEGCSA-N 2 2 237.351 0.899 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@H+](CC2OCCO2)C1 ZINC000777584559 585715843 /nfs/dbraw/zinc/71/58/43/585715843.db2.gz RQWCNXIDNYEAND-SNVBAGLBSA-N 2 2 214.309 0.243 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@@H+](CC2OCCO2)C1 ZINC000777584559 585715844 /nfs/dbraw/zinc/71/58/44/585715844.db2.gz RQWCNXIDNYEAND-SNVBAGLBSA-N 2 2 214.309 0.243 20 0 BCADLP C[C@H]1C[C@@H]([NH+](C)CC2OCCO2)CC[N@@H+]1C ZINC000777595939 585716419 /nfs/dbraw/zinc/71/64/19/585716419.db2.gz HSCSEERYZJAVLD-QWRGUYRKSA-N 2 2 228.336 0.774 20 0 BCADLP C[C@H]1C[C@@H]([NH+](C)CC2OCCO2)CC[N@H+]1C ZINC000777595939 585716420 /nfs/dbraw/zinc/71/64/20/585716420.db2.gz HSCSEERYZJAVLD-QWRGUYRKSA-N 2 2 228.336 0.774 20 0 BCADLP C[C@H]1C[C@@H]([N@H+](C)CC2OCCO2)CC[NH+]1C ZINC000777595939 585716421 /nfs/dbraw/zinc/71/64/21/585716421.db2.gz HSCSEERYZJAVLD-QWRGUYRKSA-N 2 2 228.336 0.774 20 0 BCADLP C[C@H]1C[C@@H]([N@@H+](C)CC2OCCO2)CC[NH+]1C ZINC000777595939 585716422 /nfs/dbraw/zinc/71/64/22/585716422.db2.gz HSCSEERYZJAVLD-QWRGUYRKSA-N 2 2 228.336 0.774 20 0 BCADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779386584 585752973 /nfs/dbraw/zinc/75/29/73/585752973.db2.gz XPOSYJXAVFDXPJ-QWHCGFSZSA-N 2 2 244.379 0.704 20 0 BCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779386584 585752974 /nfs/dbraw/zinc/75/29/74/585752974.db2.gz XPOSYJXAVFDXPJ-QWHCGFSZSA-N 2 2 244.379 0.704 20 0 BCADLP CC[N@H+](CC[NH2+][C@H](C)CCO)C1CC1 ZINC000779401288 585753236 /nfs/dbraw/zinc/75/32/36/585753236.db2.gz SQJOWDVWWZHUAY-SNVBAGLBSA-N 2 2 200.326 0.831 20 0 BCADLP CC[N@@H+](CC[NH2+][C@H](C)CCO)C1CC1 ZINC000779401288 585753237 /nfs/dbraw/zinc/75/32/37/585753237.db2.gz SQJOWDVWWZHUAY-SNVBAGLBSA-N 2 2 200.326 0.831 20 0 BCADLP C[C@H](CCO)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000779406037 585753272 /nfs/dbraw/zinc/75/32/72/585753272.db2.gz SUSMHUJROMUDEB-ZYHUDNBSSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000779406037 585753273 /nfs/dbraw/zinc/75/32/73/585753273.db2.gz SUSMHUJROMUDEB-ZYHUDNBSSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@@H](CCO)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000779406031 585753534 /nfs/dbraw/zinc/75/35/34/585753534.db2.gz SUSMHUJROMUDEB-JQWIXIFHSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@@H](CCO)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000779406031 585753535 /nfs/dbraw/zinc/75/35/35/585753535.db2.gz SUSMHUJROMUDEB-JQWIXIFHSA-N 2 2 212.337 0.831 20 0 BCADLP OC1(C[NH+]2CCOCC2)CC[NH+](CCF)CC1 ZINC000779604274 585757108 /nfs/dbraw/zinc/75/71/08/585757108.db2.gz UPQSMVJSXKAEQT-UHFFFAOYSA-N 2 2 246.326 0.115 20 0 BCADLP OC[C@@]12C[C@@H]1C[N@H+](CCCn1cc[nH+]c1)C2 ZINC000782632940 585823661 /nfs/dbraw/zinc/82/36/61/585823661.db2.gz MXQVGIXXTOKBQS-NEPJUHHUSA-N 2 2 221.304 0.587 20 0 BCADLP OC[C@@]12C[C@@H]1C[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000782632940 585823662 /nfs/dbraw/zinc/82/36/62/585823662.db2.gz MXQVGIXXTOKBQS-NEPJUHHUSA-N 2 2 221.304 0.587 20 0 BCADLP Cc1ccc(NC(=O)C[NH+](C)C)c(N(C)C)[nH+]1 ZINC000785419495 585873087 /nfs/dbraw/zinc/87/30/87/585873087.db2.gz JNSWWKXURVRJGN-UHFFFAOYSA-N 2 2 236.319 0.956 20 0 BCADLP c1nncn1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788380965 585922394 /nfs/dbraw/zinc/92/23/94/585922394.db2.gz RLLBJGVCIUPLJX-GFCCVEGCSA-N 2 2 245.286 0.784 20 0 BCADLP c1nncn1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788380965 585922395 /nfs/dbraw/zinc/92/23/95/585922395.db2.gz RLLBJGVCIUPLJX-GFCCVEGCSA-N 2 2 245.286 0.784 20 0 BCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000793576193 586023328 /nfs/dbraw/zinc/02/33/28/586023328.db2.gz YPKADUPNSGHNDS-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000793576193 586023329 /nfs/dbraw/zinc/02/33/29/586023329.db2.gz YPKADUPNSGHNDS-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1C ZINC000793576193 586023330 /nfs/dbraw/zinc/02/33/30/586023330.db2.gz YPKADUPNSGHNDS-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000794577402 586045198 /nfs/dbraw/zinc/04/51/98/586045198.db2.gz QLGBIMAKBFAILN-RYUDHWBXSA-N 2 2 239.363 0.587 20 0 BCADLP COC(=O)[C@H]1[C@@H]2C[N@H+](CCCn3cc[nH+]c3)C[C@@H]21 ZINC000794981400 586061310 /nfs/dbraw/zinc/06/13/10/586061310.db2.gz CQLBSSNIFQVAEL-GDNZZTSVSA-N 2 2 249.314 0.624 20 0 BCADLP c1[nH]c2c([nH+]1)CC[N@@H+](CCC1OCCCO1)C2 ZINC000859308981 589029672 /nfs/dbraw/zinc/02/96/72/589029672.db2.gz ZOOYDSHMGLXQHW-UHFFFAOYSA-N 2 2 237.303 0.921 20 0 BCADLP c1[nH]c2c([nH+]1)CC[N@H+](CCC1OCCCO1)C2 ZINC000859308981 589029673 /nfs/dbraw/zinc/02/96/73/589029673.db2.gz ZOOYDSHMGLXQHW-UHFFFAOYSA-N 2 2 237.303 0.921 20 0 BCADLP CC(C)([NH2+]Cc1c[nH+]c[nH]1)C(=O)N1CCCC1 ZINC000796584385 586107945 /nfs/dbraw/zinc/10/79/45/586107945.db2.gz LTLXWQZDAWLSPX-UHFFFAOYSA-N 2 2 236.319 0.900 20 0 BCADLP CC(C)c1nc(N[C@H](CO)C[NH+](C)C)cc[nH+]1 ZINC000809341174 586503510 /nfs/dbraw/zinc/50/35/10/586503510.db2.gz NODUWUNCYADGSJ-JTQLQIEISA-N 2 2 238.335 0.934 20 0 BCADLP COC(=O)CCC[NH+]1CCC([NH2+]CCF)CC1 ZINC000812759522 586583844 /nfs/dbraw/zinc/58/38/44/586583844.db2.gz GBJHWBXHTIKJHW-UHFFFAOYSA-N 2 2 246.326 0.963 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cnn(C)n2)C1 ZINC000816611660 586743462 /nfs/dbraw/zinc/74/34/62/586743462.db2.gz VBGZNGHKEZKWEE-SNVBAGLBSA-N 2 2 246.318 0.538 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cnn(C)n2)C1 ZINC000816611660 586743463 /nfs/dbraw/zinc/74/34/63/586743463.db2.gz VBGZNGHKEZKWEE-SNVBAGLBSA-N 2 2 246.318 0.538 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cnn(C)n2)C1 ZINC000816611659 586743929 /nfs/dbraw/zinc/74/39/29/586743929.db2.gz VBGZNGHKEZKWEE-JTQLQIEISA-N 2 2 246.318 0.538 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cnn(C)n2)C1 ZINC000816611659 586743931 /nfs/dbraw/zinc/74/39/31/586743931.db2.gz VBGZNGHKEZKWEE-JTQLQIEISA-N 2 2 246.318 0.538 20 0 BCADLP CC[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816894919 586769667 /nfs/dbraw/zinc/76/96/67/586769667.db2.gz VYCCKVAGVZDYFE-SNVBAGLBSA-N 2 2 236.319 0.410 20 0 BCADLP CC[N@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816894919 586769668 /nfs/dbraw/zinc/76/96/68/586769668.db2.gz VYCCKVAGVZDYFE-SNVBAGLBSA-N 2 2 236.319 0.410 20 0 BCADLP C[NH+](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816916498 586771504 /nfs/dbraw/zinc/77/15/04/586771504.db2.gz IPNMWHGQADQARS-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP C[N@@H+]1CC[C@H](N[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000817890677 586832946 /nfs/dbraw/zinc/83/29/46/586832946.db2.gz WZCZSSFKHPNRLA-AVGNSLFASA-N 2 2 239.363 0.047 20 0 BCADLP C[N@H+]1CC[C@H](N[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000817890677 586832948 /nfs/dbraw/zinc/83/29/48/586832948.db2.gz WZCZSSFKHPNRLA-AVGNSLFASA-N 2 2 239.363 0.047 20 0 BCADLP CN1CC[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000817890677 586832950 /nfs/dbraw/zinc/83/29/50/586832950.db2.gz WZCZSSFKHPNRLA-AVGNSLFASA-N 2 2 239.363 0.047 20 0 BCADLP C[N@@H+]1CC[C@H](N[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000817890678 586833101 /nfs/dbraw/zinc/83/31/01/586833101.db2.gz WZCZSSFKHPNRLA-RWMBFGLXSA-N 2 2 239.363 0.047 20 0 BCADLP C[N@H+]1CC[C@H](N[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000817890678 586833103 /nfs/dbraw/zinc/83/31/03/586833103.db2.gz WZCZSSFKHPNRLA-RWMBFGLXSA-N 2 2 239.363 0.047 20 0 BCADLP CN1CC[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000817890678 586833105 /nfs/dbraw/zinc/83/31/05/586833105.db2.gz WZCZSSFKHPNRLA-RWMBFGLXSA-N 2 2 239.363 0.047 20 0 BCADLP CC(C)C[C@H](O)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000817905265 586836980 /nfs/dbraw/zinc/83/69/80/586836980.db2.gz FAPMHULLJICMIQ-SDDRHHMPSA-N 2 2 214.353 0.981 20 0 BCADLP C[C@@H]([NH2+]CC1(C)OCCCO1)[C@@H]1CCC[NH2+]1 ZINC000817926265 586841219 /nfs/dbraw/zinc/84/12/19/586841219.db2.gz CQOGJYYMAXLQGO-MNOVXSKESA-N 2 2 228.336 0.870 20 0 BCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000818224234 586880370 /nfs/dbraw/zinc/88/03/70/586880370.db2.gz IMDLBHHERDJPFD-YIZRAAEISA-N 2 2 220.276 0.420 20 0 BCADLP Cc1c[nH+]cn1CC(=O)OCCc1c[nH+]cn1C ZINC000859946800 589072513 /nfs/dbraw/zinc/07/25/13/589072513.db2.gz UNECWABJGYXICM-UHFFFAOYSA-N 2 2 248.286 0.711 20 0 BCADLP CC[NH2+]CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000818605121 586905159 /nfs/dbraw/zinc/90/51/59/586905159.db2.gz RXKBGUJOUNWEDK-LLVKDONJSA-N 2 2 248.330 0.386 20 0 BCADLP CC[NH2+]CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000818613003 586906315 /nfs/dbraw/zinc/90/63/15/586906315.db2.gz AVSYCVUKZIWJCX-UHFFFAOYSA-N 2 2 221.304 0.924 20 0 BCADLP NC(=O)CC[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000818951672 586917656 /nfs/dbraw/zinc/91/76/56/586917656.db2.gz MXNJEUSWPCIYQZ-UHFFFAOYSA-N 2 2 245.286 0.232 20 0 BCADLP CC[N@H+](CC[NH2+]CCC(=O)N(C)OC)C1CC1 ZINC000819011981 586923939 /nfs/dbraw/zinc/92/39/39/586923939.db2.gz DBCWRYCVSXFJNM-UHFFFAOYSA-N 2 2 243.351 0.470 20 0 BCADLP CC[N@@H+](CC[NH2+]CCC(=O)N(C)OC)C1CC1 ZINC000819011981 586923940 /nfs/dbraw/zinc/92/39/40/586923940.db2.gz DBCWRYCVSXFJNM-UHFFFAOYSA-N 2 2 243.351 0.470 20 0 BCADLP CON(C)C(=O)CC[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000819021499 586923999 /nfs/dbraw/zinc/92/39/99/586923999.db2.gz PJVWXXBASNFHEE-JTQLQIEISA-N 2 2 229.324 0.080 20 0 BCADLP CON(C)C(=O)CC[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000819021499 586924002 /nfs/dbraw/zinc/92/40/02/586924002.db2.gz PJVWXXBASNFHEE-JTQLQIEISA-N 2 2 229.324 0.080 20 0 BCADLP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)C2CC2)C1 ZINC000819024066 586925047 /nfs/dbraw/zinc/92/50/47/586925047.db2.gz ZXRATMVZVHMXAN-NEPJUHHUSA-N 2 2 212.337 0.831 20 0 BCADLP CC[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)C2CC2)C1 ZINC000819024066 586925050 /nfs/dbraw/zinc/92/50/50/586925050.db2.gz ZXRATMVZVHMXAN-NEPJUHHUSA-N 2 2 212.337 0.831 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](CO)C2CC2)n1C ZINC000822456857 587169492 /nfs/dbraw/zinc/16/94/92/587169492.db2.gz WGLXRGIYSCKAPF-NSHDSACASA-N 2 2 238.335 0.347 20 0 BCADLP C[NH+](C)[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000822793679 587186174 /nfs/dbraw/zinc/18/61/74/587186174.db2.gz FCFJGCHCYSLOAE-SNVBAGLBSA-N 2 2 236.319 0.409 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000822997388 587197117 /nfs/dbraw/zinc/19/71/17/587197117.db2.gz KBHQZDCCXFZXDO-SNVBAGLBSA-N 2 2 236.319 0.378 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000822997388 587197118 /nfs/dbraw/zinc/19/71/18/587197118.db2.gz KBHQZDCCXFZXDO-SNVBAGLBSA-N 2 2 236.319 0.378 20 0 BCADLP C[C@H](C(=O)N[C@@H]1CCn2cc[nH+]c21)[NH+](C)C ZINC000823237215 587210394 /nfs/dbraw/zinc/21/03/94/587210394.db2.gz PJJNUHNRZKDRNK-RKDXNWHRSA-N 2 2 222.292 0.394 20 0 BCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CCn2cc[nH+]c21 ZINC000823236509 587210399 /nfs/dbraw/zinc/21/03/99/587210399.db2.gz AZOWEMKHQNUYGQ-SNVBAGLBSA-N 2 2 234.303 0.540 20 0 BCADLP C[C@@H](C(=O)N[C@H]1CCn2cc[nH+]c21)[NH+](C)C ZINC000823237214 587210595 /nfs/dbraw/zinc/21/05/95/587210595.db2.gz PJJNUHNRZKDRNK-IUCAKERBSA-N 2 2 222.292 0.394 20 0 BCADLP C[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000823607686 587232617 /nfs/dbraw/zinc/23/26/17/587232617.db2.gz KLZQCPKJVFTGPE-UHFFFAOYSA-N 2 2 222.292 0.163 20 0 BCADLP C[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000823607686 587232618 /nfs/dbraw/zinc/23/26/18/587232618.db2.gz KLZQCPKJVFTGPE-UHFFFAOYSA-N 2 2 222.292 0.163 20 0 BCADLP [NH3+][C@H](CC(=O)NCCNc1cccc[nH+]1)C1CC1 ZINC000826555974 587354912 /nfs/dbraw/zinc/35/49/12/587354912.db2.gz XUOMYWBXXUMCAX-LLVKDONJSA-N 2 2 248.330 0.737 20 0 BCADLP C[N@@H+]1CCC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000826878493 587364658 /nfs/dbraw/zinc/36/46/58/587364658.db2.gz ZJKSHJDTFASJSZ-JTQLQIEISA-N 2 2 236.319 0.410 20 0 BCADLP C[N@H+]1CCC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000826878493 587364659 /nfs/dbraw/zinc/36/46/59/587364659.db2.gz ZJKSHJDTFASJSZ-JTQLQIEISA-N 2 2 236.319 0.410 20 0 BCADLP C[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC000827256036 587374225 /nfs/dbraw/zinc/37/42/25/587374225.db2.gz VJICTANVUJYXIV-NWDGAFQWSA-N 2 2 248.330 0.436 20 0 BCADLP C[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC000827256036 587374226 /nfs/dbraw/zinc/37/42/26/587374226.db2.gz VJICTANVUJYXIV-NWDGAFQWSA-N 2 2 248.330 0.436 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@H+](CC[S@@](C)=O)C1 ZINC000827919982 587409794 /nfs/dbraw/zinc/40/97/94/587409794.db2.gz RWNASUIBAJGPBJ-IINYFYTJSA-N 2 2 218.366 0.248 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC[S@@](C)=O)C1 ZINC000827919982 587409795 /nfs/dbraw/zinc/40/97/95/587409795.db2.gz RWNASUIBAJGPBJ-IINYFYTJSA-N 2 2 218.366 0.248 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@H+](CC[S@@](C)=O)C1 ZINC000827919983 587410009 /nfs/dbraw/zinc/41/00/09/587410009.db2.gz RWNASUIBAJGPBJ-QMTHXVAHSA-N 2 2 218.366 0.248 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@@H+](CC[S@@](C)=O)C1 ZINC000827919983 587410010 /nfs/dbraw/zinc/41/00/10/587410010.db2.gz RWNASUIBAJGPBJ-QMTHXVAHSA-N 2 2 218.366 0.248 20 0 BCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC[S@](C)=O)C2)C1 ZINC000828571200 587451051 /nfs/dbraw/zinc/45/10/51/587451051.db2.gz NKEORHCIYXPVOG-ABAIWWIYSA-N 2 2 230.377 0.393 20 0 BCADLP C[N@H+]1CC[C@@]2(CC[NH+](CC[S@](C)=O)C2)C1 ZINC000828571200 587451052 /nfs/dbraw/zinc/45/10/52/587451052.db2.gz NKEORHCIYXPVOG-ABAIWWIYSA-N 2 2 230.377 0.393 20 0 BCADLP C[NH+]1CC[C@@]2(CC[N@H+](CC[S@](C)=O)C2)C1 ZINC000828571200 587451053 /nfs/dbraw/zinc/45/10/53/587451053.db2.gz NKEORHCIYXPVOG-ABAIWWIYSA-N 2 2 230.377 0.393 20 0 BCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC[S@](C)=O)C2)C1 ZINC000828571200 587451054 /nfs/dbraw/zinc/45/10/54/587451054.db2.gz NKEORHCIYXPVOG-ABAIWWIYSA-N 2 2 230.377 0.393 20 0 BCADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCC[N@H+](C)C1 ZINC000828681182 587456942 /nfs/dbraw/zinc/45/69/42/587456942.db2.gz WRVIYVCDIPAZHE-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCC[N@@H+](C)C1 ZINC000828681182 587456943 /nfs/dbraw/zinc/45/69/43/587456943.db2.gz WRVIYVCDIPAZHE-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP C[C@@H]1[C@H](NC(=O)/C=C/c2cn(C)c[nH+]2)CC[N@@H+]1C ZINC000830111160 587536079 /nfs/dbraw/zinc/53/60/79/587536079.db2.gz LWWUBNXOOQGEJG-DJVCXFJCSA-N 2 2 248.330 0.642 20 0 BCADLP C[C@@H]1[C@H](NC(=O)/C=C/c2cn(C)c[nH+]2)CC[N@H+]1C ZINC000830111160 587536081 /nfs/dbraw/zinc/53/60/81/587536081.db2.gz LWWUBNXOOQGEJG-DJVCXFJCSA-N 2 2 248.330 0.642 20 0 BCADLP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000832139784 587646149 /nfs/dbraw/zinc/64/61/49/587646149.db2.gz DXPZFJRPLMYEIZ-ZJUUUORDSA-N 2 2 236.319 0.929 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@H]1CCCCNC1=O ZINC000841007676 587934624 /nfs/dbraw/zinc/93/46/24/587934624.db2.gz QOEFHBXDVDQALG-RYUDHWBXSA-N 2 2 241.379 0.960 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000841007676 587934625 /nfs/dbraw/zinc/93/46/25/587934625.db2.gz QOEFHBXDVDQALG-RYUDHWBXSA-N 2 2 241.379 0.960 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000841007677 587934683 /nfs/dbraw/zinc/93/46/83/587934683.db2.gz QOEFHBXDVDQALG-VXGBXAGGSA-N 2 2 241.379 0.960 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000841007677 587934684 /nfs/dbraw/zinc/93/46/84/587934684.db2.gz QOEFHBXDVDQALG-VXGBXAGGSA-N 2 2 241.379 0.960 20 0 BCADLP Cc1cc(C[N@H+](C)C[C@@H](O)C[NH3+])cnc1Cl ZINC000841091724 587946491 /nfs/dbraw/zinc/94/64/91/587946491.db2.gz DVCWVPOOZLRULD-JTQLQIEISA-N 2 2 243.738 0.795 20 0 BCADLP Cc1cc(C[N@@H+](C)C[C@@H](O)C[NH3+])cnc1Cl ZINC000841091724 587946493 /nfs/dbraw/zinc/94/64/93/587946493.db2.gz DVCWVPOOZLRULD-JTQLQIEISA-N 2 2 243.738 0.795 20 0 BCADLP CCCCOC(=O)CC[N@H+](C)CC[NH2+]C ZINC000842473400 588028986 /nfs/dbraw/zinc/02/89/86/588028986.db2.gz CVCHHMSRHQCVBW-UHFFFAOYSA-N 2 2 216.325 0.871 20 0 BCADLP CCCCOC(=O)CC[N@@H+](C)CC[NH2+]C ZINC000842473400 588028988 /nfs/dbraw/zinc/02/89/88/588028988.db2.gz CVCHHMSRHQCVBW-UHFFFAOYSA-N 2 2 216.325 0.871 20 0 BCADLP CCCCOC(=O)CC[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000842474589 588029000 /nfs/dbraw/zinc/02/90/00/588029000.db2.gz ARWRWHMNADWAJH-GHMZBOCLSA-N 2 2 228.336 0.999 20 0 BCADLP CCCCOC(=O)CC[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000842474589 588029002 /nfs/dbraw/zinc/02/90/02/588029002.db2.gz ARWRWHMNADWAJH-GHMZBOCLSA-N 2 2 228.336 0.999 20 0 BCADLP COc1ncncc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000842673061 588051452 /nfs/dbraw/zinc/05/14/52/588051452.db2.gz IKBVCUIRGIXJRZ-JTQLQIEISA-N 2 2 238.335 0.915 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC000843126015 588084130 /nfs/dbraw/zinc/08/41/30/588084130.db2.gz MHYNXNIMVDYUHV-WRWGMCAJSA-N 3 2 211.353 0.857 20 0 BCADLP CC1(C)CN(CC[NH2+]C[C@@H]2CCC[NH2+]2)CCO1 ZINC000843127136 588085175 /nfs/dbraw/zinc/08/51/75/588085175.db2.gz ZORXIICXDUVAHQ-LBPRGKRZSA-N 2 2 241.379 0.439 20 0 BCADLP CC1(C)C[N@H+](CCNC[C@@H]2CCC[NH2+]2)CCO1 ZINC000843127136 588085177 /nfs/dbraw/zinc/08/51/77/588085177.db2.gz ZORXIICXDUVAHQ-LBPRGKRZSA-N 2 2 241.379 0.439 20 0 BCADLP CC1(C)C[N@@H+](CCNC[C@@H]2CCC[NH2+]2)CCO1 ZINC000843127136 588085179 /nfs/dbraw/zinc/08/51/79/588085179.db2.gz ZORXIICXDUVAHQ-LBPRGKRZSA-N 2 2 241.379 0.439 20 0 BCADLP CC[NH2+]Cc1noc([C@H]2C[N@H+](CC)CCO2)n1 ZINC000843142720 588086053 /nfs/dbraw/zinc/08/60/53/588086053.db2.gz HHBAMFAVNIWOEF-SECBINFHSA-N 2 2 240.307 0.572 20 0 BCADLP CC[NH2+]Cc1noc([C@H]2C[N@@H+](CC)CCO2)n1 ZINC000843142720 588086055 /nfs/dbraw/zinc/08/60/55/588086055.db2.gz HHBAMFAVNIWOEF-SECBINFHSA-N 2 2 240.307 0.572 20 0 BCADLP Cn1c[nH+]cc1Cc1noc([C@@]2(C)CC[NH2+]C2)n1 ZINC000843199921 588093323 /nfs/dbraw/zinc/09/33/23/588093323.db2.gz JXZSFSGXABKSBS-LBPRGKRZSA-N 2 2 247.302 0.645 20 0 BCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCCCC[NH3+] ZINC000843344032 588101367 /nfs/dbraw/zinc/10/13/67/588101367.db2.gz MQIXIQWDVLALHC-QWHCGFSZSA-N 3 2 243.395 0.862 20 0 BCADLP CCCOC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000843353740 588102571 /nfs/dbraw/zinc/10/25/71/588102571.db2.gz OHIBCOWVCAHFKX-VWYCJHECSA-N 2 2 228.336 0.997 20 0 BCADLP CCCOC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000843353740 588102572 /nfs/dbraw/zinc/10/25/72/588102572.db2.gz OHIBCOWVCAHFKX-VWYCJHECSA-N 2 2 228.336 0.997 20 0 BCADLP CCCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000843348598 588102732 /nfs/dbraw/zinc/10/27/32/588102732.db2.gz SGTJWRYDNRBUDW-ZJUUUORDSA-N 2 2 214.309 0.609 20 0 BCADLP CCCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000843348598 588102734 /nfs/dbraw/zinc/10/27/34/588102734.db2.gz SGTJWRYDNRBUDW-ZJUUUORDSA-N 2 2 214.309 0.609 20 0 BCADLP CCCOC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843365177 588104240 /nfs/dbraw/zinc/10/42/40/588104240.db2.gz DOKIEBRZTWCRDC-OUAUKWLOSA-N 2 2 228.336 0.997 20 0 BCADLP CCCOC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843365177 588104242 /nfs/dbraw/zinc/10/42/42/588104242.db2.gz DOKIEBRZTWCRDC-OUAUKWLOSA-N 2 2 228.336 0.997 20 0 BCADLP [NH3+]CCCCCC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000846220811 588261044 /nfs/dbraw/zinc/26/10/44/588261044.db2.gz VFMIKJMDUKKLJL-NSHDSACASA-N 3 2 215.341 0.165 20 0 BCADLP [NH3+]CCCCCC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000846220811 588261045 /nfs/dbraw/zinc/26/10/45/588261045.db2.gz VFMIKJMDUKKLJL-NSHDSACASA-N 3 2 215.341 0.165 20 0 BCADLP C[C@H]1CN(CCCc2c[nH+]cn2C)CC[N@@H+]1C ZINC000846836026 588291952 /nfs/dbraw/zinc/29/19/52/588291952.db2.gz BDOVSKDXLZRTME-LBPRGKRZSA-N 2 2 236.363 0.989 20 0 BCADLP C[C@H]1CN(CCCc2c[nH+]cn2C)CC[N@H+]1C ZINC000846836026 588291953 /nfs/dbraw/zinc/29/19/53/588291953.db2.gz BDOVSKDXLZRTME-LBPRGKRZSA-N 2 2 236.363 0.989 20 0 BCADLP C[C@H]1C[N@H+](CCCc2c[nH+]cn2C)CCN1C ZINC000846836026 588291954 /nfs/dbraw/zinc/29/19/54/588291954.db2.gz BDOVSKDXLZRTME-LBPRGKRZSA-N 2 2 236.363 0.989 20 0 BCADLP C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCN1C ZINC000846836026 588291955 /nfs/dbraw/zinc/29/19/55/588291955.db2.gz BDOVSKDXLZRTME-LBPRGKRZSA-N 2 2 236.363 0.989 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCOCC[C@H]1C ZINC000846848728 588292986 /nfs/dbraw/zinc/29/29/86/588292986.db2.gz TUWCVAPHULXMCQ-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCOCC[C@H]1C ZINC000846848728 588292987 /nfs/dbraw/zinc/29/29/87/588292987.db2.gz TUWCVAPHULXMCQ-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCOCC[C@H]1C ZINC000846848728 588292988 /nfs/dbraw/zinc/29/29/88/588292988.db2.gz TUWCVAPHULXMCQ-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCOCC[C@H]1C ZINC000846848728 588292989 /nfs/dbraw/zinc/29/29/89/588292989.db2.gz TUWCVAPHULXMCQ-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP CC[C@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000846876279 588294658 /nfs/dbraw/zinc/29/46/58/588294658.db2.gz OVONDGGVPHQFPP-JTQLQIEISA-N 2 2 224.308 0.303 20 0 BCADLP [NH2+]=C(NCCCCn1cc[nH+]c1)N1CCC1 ZINC000848995331 588428607 /nfs/dbraw/zinc/42/86/07/588428607.db2.gz GHNPRXWMLKOBLR-UHFFFAOYSA-N 2 2 221.308 0.893 20 0 BCADLP CN1CC[NH+]=C1NCC[NH+]1Cc2ccccc2C1 ZINC000848996828 588429612 /nfs/dbraw/zinc/42/96/12/588429612.db2.gz HRLKZJSXYINNEM-UHFFFAOYSA-N 2 2 244.342 0.893 20 0 BCADLP [NH2+]=C(NCC[NH+]1CCSCC1)NC1CCC1 ZINC000849005607 588432545 /nfs/dbraw/zinc/43/25/45/588432545.db2.gz KVTXGZUNZUZNDG-UHFFFAOYSA-N 2 2 242.392 0.702 20 0 BCADLP CCNC(=S)NCC[N@H+](C)CCC[NH+](C)C ZINC000849279656 588469239 /nfs/dbraw/zinc/46/92/39/588469239.db2.gz DDLYQYIEARIGMK-UHFFFAOYSA-N 2 2 246.424 0.354 20 0 BCADLP CCNC(=S)NCC[N@@H+](C)CCC[NH+](C)C ZINC000849279656 588469240 /nfs/dbraw/zinc/46/92/40/588469240.db2.gz DDLYQYIEARIGMK-UHFFFAOYSA-N 2 2 246.424 0.354 20 0 BCADLP CON(C)CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000850480871 588551221 /nfs/dbraw/zinc/55/12/21/588551221.db2.gz WDXVLZPVJSSJLQ-CMPLNLGQSA-N 2 2 227.352 0.552 20 0 BCADLP CON(C)CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000850480871 588551222 /nfs/dbraw/zinc/55/12/22/588551222.db2.gz WDXVLZPVJSSJLQ-CMPLNLGQSA-N 2 2 227.352 0.552 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C[C@H](O)C[NH+]1CCCC1 ZINC000851876035 588638063 /nfs/dbraw/zinc/63/80/63/588638063.db2.gz VWJHJXNSDRREFR-NSHDSACASA-N 2 2 238.335 0.298 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C[C@@H](O)C[NH+]1CCCC1 ZINC000851876034 588638324 /nfs/dbraw/zinc/63/83/24/588638324.db2.gz VWJHJXNSDRREFR-LLVKDONJSA-N 2 2 238.335 0.298 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C[C@]2(CO)C1 ZINC000851968820 588649114 /nfs/dbraw/zinc/64/91/14/588649114.db2.gz SBRMYEJWLZCHHK-RWMBFGLXSA-N 2 2 242.363 0.002 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C[C@]2(CO)C1 ZINC000851968820 588649115 /nfs/dbraw/zinc/64/91/15/588649115.db2.gz SBRMYEJWLZCHHK-RWMBFGLXSA-N 2 2 242.363 0.002 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000851968820 588649116 /nfs/dbraw/zinc/64/91/16/588649116.db2.gz SBRMYEJWLZCHHK-RWMBFGLXSA-N 2 2 242.363 0.002 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000851968820 588649117 /nfs/dbraw/zinc/64/91/17/588649117.db2.gz SBRMYEJWLZCHHK-RWMBFGLXSA-N 2 2 242.363 0.002 20 0 BCADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC[S@@](C)=O)C2 ZINC000852104962 588663618 /nfs/dbraw/zinc/66/36/18/588663618.db2.gz HLJPSCIKVVBHAX-BLLLJJGKSA-N 2 2 244.404 0.783 20 0 BCADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC[S@@](C)=O)C2 ZINC000852104962 588663619 /nfs/dbraw/zinc/66/36/19/588663619.db2.gz HLJPSCIKVVBHAX-BLLLJJGKSA-N 2 2 244.404 0.783 20 0 BCADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC[S@@](C)=O)C2 ZINC000852104962 588663620 /nfs/dbraw/zinc/66/36/20/588663620.db2.gz HLJPSCIKVVBHAX-BLLLJJGKSA-N 2 2 244.404 0.783 20 0 BCADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC[S@@](C)=O)C2 ZINC000852104962 588663621 /nfs/dbraw/zinc/66/36/21/588663621.db2.gz HLJPSCIKVVBHAX-BLLLJJGKSA-N 2 2 244.404 0.783 20 0 BCADLP C[N@H+](C[C@@H]1C[NH2+]CCO1)C1CCC([NH3+])CC1 ZINC000852741625 588698314 /nfs/dbraw/zinc/69/83/14/588698314.db2.gz XBZVHHRDVMNMNY-MCIGGMRASA-N 3 2 227.352 0.177 20 0 BCADLP C[N@@H+](C[C@@H]1C[NH2+]CCO1)C1CCC([NH3+])CC1 ZINC000852741625 588698315 /nfs/dbraw/zinc/69/83/15/588698315.db2.gz XBZVHHRDVMNMNY-MCIGGMRASA-N 3 2 227.352 0.177 20 0 BCADLP CO[C@H](C[N@H+](CC[NH3+])CCO)C1CCC1 ZINC000852746671 588698946 /nfs/dbraw/zinc/69/89/46/588698946.db2.gz NZPQAYNABVFPTC-LLVKDONJSA-N 2 2 216.325 0.055 20 0 BCADLP CO[C@H](C[N@@H+](CC[NH3+])CCO)C1CCC1 ZINC000852746671 588698947 /nfs/dbraw/zinc/69/89/47/588698947.db2.gz NZPQAYNABVFPTC-LLVKDONJSA-N 2 2 216.325 0.055 20 0 BCADLP CO[C@@H](C[N@H+](CC[NH3+])CCO)C1CCCCC1 ZINC000852746421 588698958 /nfs/dbraw/zinc/69/89/58/588698958.db2.gz LAGQHKGDAOJEKB-ZDUSSCGKSA-N 2 2 244.379 0.835 20 0 BCADLP CO[C@@H](C[N@@H+](CC[NH3+])CCO)C1CCCCC1 ZINC000852746421 588698959 /nfs/dbraw/zinc/69/89/59/588698959.db2.gz LAGQHKGDAOJEKB-ZDUSSCGKSA-N 2 2 244.379 0.835 20 0 BCADLP c1ccc([C@H]2CC[N@H+](C[C@H]3C[NH2+]CCO3)C2)nc1 ZINC000852750224 588699962 /nfs/dbraw/zinc/69/99/62/588699962.db2.gz ONISAQTVKNWIBH-QWHCGFSZSA-N 2 2 247.342 0.859 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](CCOC(F)F)CCCO1 ZINC000852751366 588700337 /nfs/dbraw/zinc/70/03/37/588700337.db2.gz ZJOJDKTUPLQJGE-QMMMGPOBSA-N 2 2 224.251 0.275 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](CCOC(F)F)CCCO1 ZINC000852751366 588700338 /nfs/dbraw/zinc/70/03/38/588700338.db2.gz ZJOJDKTUPLQJGE-QMMMGPOBSA-N 2 2 224.251 0.275 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1C=CCC1 ZINC000852847873 588708132 /nfs/dbraw/zinc/70/81/32/588708132.db2.gz WEOYWUVQCJVAJW-NXEZZACHSA-N 2 2 211.309 0.100 20 0 BCADLP [NH3+][C@H]1C[C@H](C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000852887521 588711554 /nfs/dbraw/zinc/71/15/54/588711554.db2.gz BNYLQRYIXMQVRF-OPRDCNLKSA-N 2 2 234.303 0.811 20 0 BCADLP CC[NH2+]CC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000852912920 588712876 /nfs/dbraw/zinc/71/28/76/588712876.db2.gz IFJFUPCKLPRUCE-SECBINFHSA-N 2 2 224.308 0.690 20 0 BCADLP C[C@H](NC(=O)C=C1CC[NH2+]CC1)c1[nH+]ccn1C ZINC000852918013 588713398 /nfs/dbraw/zinc/71/33/98/588713398.db2.gz RYZAWHVVQBHQLO-JTQLQIEISA-N 2 2 248.330 0.907 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+]C2CC(C(F)F)C2)C1 ZINC000862552042 589220923 /nfs/dbraw/zinc/22/09/23/589220923.db2.gz RRQNAJALLGDVFB-RTBKNWGFSA-N 2 2 234.290 0.686 20 0 BCADLP O[C@H]1CC[N@@H+](CC[NH2+]C2CC(C(F)F)C2)C1 ZINC000862552042 589220925 /nfs/dbraw/zinc/22/09/25/589220925.db2.gz RRQNAJALLGDVFB-RTBKNWGFSA-N 2 2 234.290 0.686 20 0 BCADLP CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000863547382 589298492 /nfs/dbraw/zinc/29/84/92/589298492.db2.gz KDYFRNVJTBULAH-GUBZILKMSA-N 2 2 229.324 0.125 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)CCC(=O)NC1CCCC1 ZINC000863568260 589299862 /nfs/dbraw/zinc/29/98/62/589299862.db2.gz JCGKSKJAIXZYMC-JTQLQIEISA-N 2 2 227.352 0.714 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)CCC(=O)NC1CCCC1 ZINC000863568260 589299863 /nfs/dbraw/zinc/29/98/63/589299863.db2.gz JCGKSKJAIXZYMC-JTQLQIEISA-N 2 2 227.352 0.714 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](C)CCC(=O)NC1CCCC1 ZINC000863568261 589300319 /nfs/dbraw/zinc/30/03/19/589300319.db2.gz JCGKSKJAIXZYMC-SNVBAGLBSA-N 2 2 227.352 0.714 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](C)CCC(=O)NC1CCCC1 ZINC000863568261 589300320 /nfs/dbraw/zinc/30/03/20/589300320.db2.gz JCGKSKJAIXZYMC-SNVBAGLBSA-N 2 2 227.352 0.714 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](C)CCc1nnn(C(C)(C)C)n1 ZINC000863569540 589300716 /nfs/dbraw/zinc/30/07/16/589300716.db2.gz YHQWAAAEYOBIBO-SECBINFHSA-N 2 2 240.355 0.250 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](C)CCc1nnn(C(C)(C)C)n1 ZINC000863569540 589300717 /nfs/dbraw/zinc/30/07/17/589300717.db2.gz YHQWAAAEYOBIBO-SECBINFHSA-N 2 2 240.355 0.250 20 0 BCADLP O=C1O[C@H](C[NH2+]Cc2c[nH+]c[nH]2)CN1C1CC1 ZINC000864049812 589334536 /nfs/dbraw/zinc/33/45/36/589334536.db2.gz LUKZHCOJPSJFCQ-SNVBAGLBSA-N 2 2 236.275 0.483 20 0 BCADLP O[C@H](C[NH2+]Cc1c[nH+]c[nH]1)[C@@H]1CCCO1 ZINC000864049963 589334998 /nfs/dbraw/zinc/33/49/98/589334998.db2.gz PKYYCEXMCQLNLR-ZJUUUORDSA-N 2 2 211.265 0.039 20 0 BCADLP C[C@H]1C[C@@H]1NC(=[NH2+])NCCn1cc[nH+]c1 ZINC000864452216 589364978 /nfs/dbraw/zinc/36/49/78/589364978.db2.gz NOJIFXMPMXALKL-IUCAKERBSA-N 2 2 207.281 0.405 20 0 BCADLP C[C@@H]1C[C@@H]1NC(=[NH2+])NCCn1cc[nH+]c1 ZINC000864452214 589365193 /nfs/dbraw/zinc/36/51/93/589365193.db2.gz NOJIFXMPMXALKL-BDAKNGLRSA-N 2 2 207.281 0.405 20 0 BCADLP C[C@H]1C[C@@H]1NC(=[NH2+])NCC[NH+]1CCSCC1 ZINC000864458779 589368434 /nfs/dbraw/zinc/36/84/34/589368434.db2.gz SIBYPPWUMVYQKC-UWVGGRQHSA-N 2 2 242.392 0.558 20 0 BCADLP CN(C)c1cc(Cn2ccnc2C[NH3+])cc[nH+]1 ZINC000864619736 589384395 /nfs/dbraw/zinc/38/43/95/589384395.db2.gz JDMUNHZCXKUGLS-UHFFFAOYSA-N 2 2 231.303 0.851 20 0 BCADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]CC2CC2)C1 ZINC000865655765 589454749 /nfs/dbraw/zinc/45/47/49/589454749.db2.gz MODIECYLOYQDID-NSHDSACASA-N 2 2 212.337 0.831 20 0 BCADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]CC2CC2)C1 ZINC000865655765 589454750 /nfs/dbraw/zinc/45/47/50/589454750.db2.gz MODIECYLOYQDID-NSHDSACASA-N 2 2 212.337 0.831 20 0 BCADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000865660355 589455023 /nfs/dbraw/zinc/45/50/23/589455023.db2.gz YQNFKPYYBXKLEJ-LBPRGKRZSA-N 2 2 237.347 0.950 20 0 BCADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000865660355 589455024 /nfs/dbraw/zinc/45/50/24/589455024.db2.gz YQNFKPYYBXKLEJ-LBPRGKRZSA-N 2 2 237.347 0.950 20 0 BCADLP Cn1cc[nH+]c1CNc1cc2n(n1)CC[N@H+](C)C2 ZINC000865844319 589464717 /nfs/dbraw/zinc/46/47/17/589464717.db2.gz IWYQTKJHRZDDDV-UHFFFAOYSA-N 2 2 246.318 0.674 20 0 BCADLP Cn1cc[nH+]c1CNc1cc2n(n1)CC[N@@H+](C)C2 ZINC000865844319 589464718 /nfs/dbraw/zinc/46/47/18/589464718.db2.gz IWYQTKJHRZDDDV-UHFFFAOYSA-N 2 2 246.318 0.674 20 0 BCADLP NC(=O)c1ccc(CC[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000866661415 589508758 /nfs/dbraw/zinc/50/87/58/589508758.db2.gz IXIIINXWGDHBKU-CYBMUJFWSA-N 2 2 247.342 0.751 20 0 BCADLP NC(=O)c1ccc(CC[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000866661415 589508760 /nfs/dbraw/zinc/50/87/60/589508760.db2.gz IXIIINXWGDHBKU-CYBMUJFWSA-N 2 2 247.342 0.751 20 0 BCADLP C[NH2+][C@H]1CC[N@H+](CCc2ccc(C(N)=O)cc2)C1 ZINC000866662489 589508926 /nfs/dbraw/zinc/50/89/26/589508926.db2.gz VKEYRSNGPUDEOR-ZDUSSCGKSA-N 2 2 247.342 0.622 20 0 BCADLP C[NH2+][C@H]1CC[N@@H+](CCc2ccc(C(N)=O)cc2)C1 ZINC000866662489 589508927 /nfs/dbraw/zinc/50/89/27/589508927.db2.gz VKEYRSNGPUDEOR-ZDUSSCGKSA-N 2 2 247.342 0.622 20 0 BCADLP Cc1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])nc1Cl ZINC000866666361 589509761 /nfs/dbraw/zinc/50/97/61/589509761.db2.gz OFVOSLZZVGHOSO-JTQLQIEISA-N 2 2 243.738 0.795 20 0 BCADLP Cc1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])nc1Cl ZINC000866666361 589509762 /nfs/dbraw/zinc/50/97/62/589509762.db2.gz OFVOSLZZVGHOSO-JTQLQIEISA-N 2 2 243.738 0.795 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCc1ccc(C(N)=O)cc1 ZINC000866681670 589511176 /nfs/dbraw/zinc/51/11/76/589511176.db2.gz AOWDDILMVQGTCV-ZWNOBZJWSA-N 2 2 247.342 0.750 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCc1ccc(C(N)=O)cc1 ZINC000866681670 589511178 /nfs/dbraw/zinc/51/11/78/589511178.db2.gz AOWDDILMVQGTCV-ZWNOBZJWSA-N 2 2 247.342 0.750 20 0 BCADLP CC1(C)C[C@H](O)C[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000866702711 589514012 /nfs/dbraw/zinc/51/40/12/589514012.db2.gz FMNOEGYUODDUMG-QWRGUYRKSA-N 2 2 228.336 0.068 20 0 BCADLP CC1(C)C[C@H](O)C[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000866702711 589514013 /nfs/dbraw/zinc/51/40/13/589514013.db2.gz FMNOEGYUODDUMG-QWRGUYRKSA-N 2 2 228.336 0.068 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866725763 589516327 /nfs/dbraw/zinc/51/63/27/589516327.db2.gz WCELMAGPORMLAH-VXGBXAGGSA-N 2 2 239.363 0.681 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866725763 589516328 /nfs/dbraw/zinc/51/63/28/589516328.db2.gz WCELMAGPORMLAH-VXGBXAGGSA-N 2 2 239.363 0.681 20 0 BCADLP C[NH2+][C@@H](C)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000867999154 589543084 /nfs/dbraw/zinc/54/30/84/589543084.db2.gz SXZMZKXOWJOHKX-GXFFZTMASA-N 2 2 247.342 0.897 20 0 BCADLP C[NH2+][C@@H](C)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000867999154 589543085 /nfs/dbraw/zinc/54/30/85/589543085.db2.gz SXZMZKXOWJOHKX-GXFFZTMASA-N 2 2 247.342 0.897 20 0 BCADLP C[C@H]([NH3+])CC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000868037466 589545674 /nfs/dbraw/zinc/54/56/74/589545674.db2.gz TYAAJTYDCKUREK-QMMMGPOBSA-N 2 2 237.307 0.004 20 0 BCADLP C[C@H]([NH3+])CC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000868037466 589545675 /nfs/dbraw/zinc/54/56/75/589545675.db2.gz TYAAJTYDCKUREK-QMMMGPOBSA-N 2 2 237.307 0.004 20 0 BCADLP C[N@@H+]1CCn2nc(NC(=O)C(C)(C)[NH3+])cc2C1 ZINC000871011621 589711252 /nfs/dbraw/zinc/71/12/52/589711252.db2.gz WKWQTHMFKHJKPZ-UHFFFAOYSA-N 2 2 237.307 0.004 20 0 BCADLP C[N@H+]1CCn2nc(NC(=O)C(C)(C)[NH3+])cc2C1 ZINC000871011621 589711253 /nfs/dbraw/zinc/71/12/53/589711253.db2.gz WKWQTHMFKHJKPZ-UHFFFAOYSA-N 2 2 237.307 0.004 20 0 BCADLP CC[C@@H]([NH3+])C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000871011626 589711404 /nfs/dbraw/zinc/71/14/04/589711404.db2.gz WKYZRVDDUOJLIM-SECBINFHSA-N 2 2 237.307 0.004 20 0 BCADLP CC[C@@H]([NH3+])C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000871011626 589711407 /nfs/dbraw/zinc/71/14/07/589711407.db2.gz WKYZRVDDUOJLIM-SECBINFHSA-N 2 2 237.307 0.004 20 0 BCADLP CC[C@H]([NH3+])C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000871011627 589711419 /nfs/dbraw/zinc/71/14/19/589711419.db2.gz WKYZRVDDUOJLIM-VIFPVBQESA-N 2 2 237.307 0.004 20 0 BCADLP CC[C@H]([NH3+])C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000871011627 589711424 /nfs/dbraw/zinc/71/14/24/589711424.db2.gz WKYZRVDDUOJLIM-VIFPVBQESA-N 2 2 237.307 0.004 20 0 BCADLP C[NH+](C)C1CC[NH+](C[C@@H](O)CC(C)(C)O)CC1 ZINC000871978515 589850574 /nfs/dbraw/zinc/85/05/74/589850574.db2.gz UJSYQQCABPXIBI-LBPRGKRZSA-N 2 2 244.379 0.534 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC[C@@H]1CCOC1=O ZINC000872118209 589875208 /nfs/dbraw/zinc/87/52/08/589875208.db2.gz VRKUFIVQIHEGSO-UTUOFQBUSA-N 2 2 240.347 0.869 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC[C@@H]1CCOC1=O ZINC000872118209 589875210 /nfs/dbraw/zinc/87/52/10/589875210.db2.gz VRKUFIVQIHEGSO-UTUOFQBUSA-N 2 2 240.347 0.869 20 0 BCADLP [NH3+]CC[N@H+](CCO)C[C@@H]1CC2(CCC2)CO1 ZINC000872143499 589883205 /nfs/dbraw/zinc/88/32/05/589883205.db2.gz OAPWYTIBZRCARK-NSHDSACASA-N 2 2 228.336 0.199 20 0 BCADLP [NH3+]CC[N@@H+](CCO)C[C@@H]1CC2(CCC2)CO1 ZINC000872143499 589883207 /nfs/dbraw/zinc/88/32/07/589883207.db2.gz OAPWYTIBZRCARK-NSHDSACASA-N 2 2 228.336 0.199 20 0 BCADLP COC(=O)CC[C@@H]1CCC[N@H+](CC[NH3+])C1 ZINC000872153613 589884997 /nfs/dbraw/zinc/88/49/97/589884997.db2.gz DSJNWEIVCJXCNX-JTQLQIEISA-N 2 2 214.309 0.610 20 0 BCADLP COC(=O)CC[C@@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000872153613 589884999 /nfs/dbraw/zinc/88/49/99/589884999.db2.gz DSJNWEIVCJXCNX-JTQLQIEISA-N 2 2 214.309 0.610 20 0 BCADLP CC(=O)C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000872146895 589885200 /nfs/dbraw/zinc/88/52/00/589885200.db2.gz ZZNAUCCZKSPHOO-LBPRGKRZSA-N 2 2 226.320 0.276 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000872149463 589885388 /nfs/dbraw/zinc/88/53/88/589885388.db2.gz OLZNHYGNFDKNAX-FRRDWIJNSA-N 3 2 223.364 0.527 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000872149463 589885391 /nfs/dbraw/zinc/88/53/91/589885391.db2.gz OLZNHYGNFDKNAX-FRRDWIJNSA-N 3 2 223.364 0.527 20 0 BCADLP [NH3+]CCC[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872150931 589885419 /nfs/dbraw/zinc/88/54/19/589885419.db2.gz HNRXEFZMKZGUJU-SFYZADRCSA-N 3 2 225.258 0.404 20 0 BCADLP [NH3+]CCC[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872150931 589885421 /nfs/dbraw/zinc/88/54/21/589885421.db2.gz HNRXEFZMKZGUJU-SFYZADRCSA-N 3 2 225.258 0.404 20 0 BCADLP [NH3+][C@H](CC(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000123965203 589887408 /nfs/dbraw/zinc/88/74/08/589887408.db2.gz AZTXNYDTWGPETJ-SNVBAGLBSA-N 2 2 222.292 0.127 20 0 BCADLP C[C@@H](C[NH3+])Nc1cc(-n2cc[nH+]c2)ncn1 ZINC000872774182 589967898 /nfs/dbraw/zinc/96/78/98/589967898.db2.gz FJZYPHKKMZWHAX-QMMMGPOBSA-N 2 2 218.264 0.421 20 0 BCADLP C[C@H]([NH3+])c1cn(Cc2cn3ccccc3[nH+]2)nn1 ZINC000124260791 589971370 /nfs/dbraw/zinc/97/13/70/589971370.db2.gz DBOVCCILRIZPAX-VIFPVBQESA-N 2 2 242.286 0.994 20 0 BCADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCNC(=O)CC1 ZINC000873064885 589981887 /nfs/dbraw/zinc/98/18/87/589981887.db2.gz LEOARSVSAJETIS-VXGBXAGGSA-N 2 2 239.363 0.729 20 0 BCADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCNC(=O)CC1 ZINC000873064885 589981890 /nfs/dbraw/zinc/98/18/90/589981890.db2.gz LEOARSVSAJETIS-VXGBXAGGSA-N 2 2 239.363 0.729 20 0 BCADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000873064884 589982190 /nfs/dbraw/zinc/98/21/90/589982190.db2.gz LEOARSVSAJETIS-RYUDHWBXSA-N 2 2 239.363 0.729 20 0 BCADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000873064884 589982192 /nfs/dbraw/zinc/98/21/92/589982192.db2.gz LEOARSVSAJETIS-RYUDHWBXSA-N 2 2 239.363 0.729 20 0 BCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cnc(N)cn1 ZINC000873200751 589993303 /nfs/dbraw/zinc/99/33/03/589993303.db2.gz FPANAJYOPTULRN-NSHDSACASA-N 2 2 237.351 0.864 20 0 BCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cnc(N)cn1 ZINC000873200751 589993305 /nfs/dbraw/zinc/99/33/05/589993305.db2.gz FPANAJYOPTULRN-NSHDSACASA-N 2 2 237.351 0.864 20 0 BCADLP Nc1cnc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000873210737 589995030 /nfs/dbraw/zinc/99/50/30/589995030.db2.gz PYCBDSHQRICBNY-ONGXEEELSA-N 2 2 233.319 0.243 20 0 BCADLP Nc1cnc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000873210737 589995031 /nfs/dbraw/zinc/99/50/31/589995031.db2.gz PYCBDSHQRICBNY-ONGXEEELSA-N 2 2 233.319 0.243 20 0 BCADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cnc(N)cn1 ZINC000873212680 589996119 /nfs/dbraw/zinc/99/61/19/589996119.db2.gz OUPCFLKKFHUWNO-SECBINFHSA-N 2 2 223.324 0.522 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(N)cn2)CC[NH2+]1 ZINC000873212504 589996219 /nfs/dbraw/zinc/99/62/19/589996219.db2.gz MQTMTJGTBSIHJZ-BDAKNGLRSA-N 2 2 221.308 0.289 20 0 BCADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cnc(N)cn1 ZINC000873211300 589996630 /nfs/dbraw/zinc/99/66/30/589996630.db2.gz YASIOSDRXPDCSJ-SECBINFHSA-N 2 2 223.324 0.522 20 0 BCADLP C[C@@]1(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC[NH2+]C1 ZINC000873228980 590001266 /nfs/dbraw/zinc/00/12/66/590001266.db2.gz LWQCPABLPLCPJY-YNEHKIRRSA-N 3 2 223.364 0.527 20 0 BCADLP C[C@@]1(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC[NH2+]C1 ZINC000873228980 590001268 /nfs/dbraw/zinc/00/12/68/590001268.db2.gz LWQCPABLPLCPJY-YNEHKIRRSA-N 3 2 223.364 0.527 20 0 BCADLP Cn1cc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)cn1 ZINC000873229434 590002202 /nfs/dbraw/zinc/00/22/02/590002202.db2.gz YRGKMKYLSVRWTR-RYUDHWBXSA-N 2 2 220.320 0.794 20 0 BCADLP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000873248666 590007494 /nfs/dbraw/zinc/00/74/94/590007494.db2.gz DDFYVJLFUDYKAL-RYDUCSDGSA-N 3 2 239.363 0.080 20 0 BCADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000873267994 590015255 /nfs/dbraw/zinc/01/52/55/590015255.db2.gz OBCOLGDCNRJSFB-DMDPSCGWSA-N 3 2 225.380 0.914 20 0 BCADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000873267994 590015252 /nfs/dbraw/zinc/01/52/52/590015252.db2.gz OBCOLGDCNRJSFB-DMDPSCGWSA-N 3 2 225.380 0.914 20 0 BCADLP O[C@H]1C[C@H](C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000873296195 590024303 /nfs/dbraw/zinc/02/43/03/590024303.db2.gz CRMDWNYQMXHFEI-BQUFFADESA-N 2 2 240.347 0.114 20 0 BCADLP Cc1nonc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000873295387 590024385 /nfs/dbraw/zinc/02/43/85/590024385.db2.gz HGDHFHGYFUVVTR-UWVGGRQHSA-N 2 2 224.308 0.985 20 0 BCADLP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC000874830020 590142117 /nfs/dbraw/zinc/14/21/17/590142117.db2.gz PSTQZAZHHQRZDI-RYUDHWBXSA-N 2 2 248.330 0.578 20 0 BCADLP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC000874830020 590142119 /nfs/dbraw/zinc/14/21/19/590142119.db2.gz PSTQZAZHHQRZDI-RYUDHWBXSA-N 2 2 248.330 0.578 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876753567 590237736 /nfs/dbraw/zinc/23/77/36/590237736.db2.gz MHWXYTMIKFRWKL-RKDXNWHRSA-N 2 2 236.319 0.410 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876753432 590237866 /nfs/dbraw/zinc/23/78/66/590237866.db2.gz KUQCFMBVBLMNFB-ZWNMCFTASA-N 2 2 248.330 0.592 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876753566 590238099 /nfs/dbraw/zinc/23/80/99/590238099.db2.gz MHWXYTMIKFRWKL-IUCAKERBSA-N 2 2 236.319 0.410 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000876763184 590238687 /nfs/dbraw/zinc/23/86/87/590238687.db2.gz IWOXCBRITZHNGM-RKDXNWHRSA-N 2 2 236.319 0.442 20 0 BCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000876755317 590239183 /nfs/dbraw/zinc/23/91/83/590239183.db2.gz XEOUXWJNPMBQMC-ANDSXOESSA-N 2 2 248.330 0.448 20 0 BCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000876764154 590239613 /nfs/dbraw/zinc/23/96/13/590239613.db2.gz KMGOPTYSOXLGGM-HLKOZVMDSA-N 2 2 234.303 0.438 20 0 BCADLP O=C(/C=C\[C@H]1CCC[NH2+]C1)NCCc1[nH]cc[nH+]1 ZINC000876764889 590239709 /nfs/dbraw/zinc/23/97/09/590239709.db2.gz RAAJQTTWRDCJNN-DLRQAJBASA-N 2 2 248.330 0.624 20 0 BCADLP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCc1c[nH+]c[nH]1 ZINC000876882501 590253142 /nfs/dbraw/zinc/25/31/42/590253142.db2.gz JTIOERFAVGMCNV-FSIBCCDJSA-N 2 2 234.303 0.582 20 0 BCADLP O=C(C=C[C@@H]1CCC[NH2+]C1)NCc1c[nH]c[nH+]1 ZINC000876882501 590253143 /nfs/dbraw/zinc/25/31/43/590253143.db2.gz JTIOERFAVGMCNV-FSIBCCDJSA-N 2 2 234.303 0.582 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876956285 590261022 /nfs/dbraw/zinc/26/10/22/590261022.db2.gz ITJHNGIIQWGKIJ-ZWNMCFTASA-N 2 2 248.330 0.924 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876956285 590261024 /nfs/dbraw/zinc/26/10/24/590261024.db2.gz ITJHNGIIQWGKIJ-ZWNMCFTASA-N 2 2 248.330 0.924 20 0 BCADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000877154578 590293286 /nfs/dbraw/zinc/29/32/86/590293286.db2.gz UCIAWCRZOUIKCW-NEPJUHHUSA-N 2 2 239.363 0.729 20 0 BCADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000877154578 590293287 /nfs/dbraw/zinc/29/32/87/590293287.db2.gz UCIAWCRZOUIKCW-NEPJUHHUSA-N 2 2 239.363 0.729 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000877233264 590301606 /nfs/dbraw/zinc/30/16/06/590301606.db2.gz PUWDSFZTIQWSAM-WYGGZMRJSA-N 2 2 248.330 0.924 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000877232876 590301761 /nfs/dbraw/zinc/30/17/61/590301761.db2.gz FLGVDSDPXDNWLI-SNVBAGLBSA-N 2 2 226.255 0.070 20 0 BCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C[NH3+] ZINC000877247712 590303788 /nfs/dbraw/zinc/30/37/88/590303788.db2.gz VQDJSBDTOUNJOT-NSHDSACASA-N 2 2 219.288 0.248 20 0 BCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C[NH3+] ZINC000877247712 590303790 /nfs/dbraw/zinc/30/37/90/590303790.db2.gz VQDJSBDTOUNJOT-NSHDSACASA-N 2 2 219.288 0.248 20 0 BCADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc[nH]n3)CC[C@H]21 ZINC000877744663 590410242 /nfs/dbraw/zinc/41/02/42/590410242.db2.gz WNJRIQFWTMVGTJ-CMPLNLGQSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cc[nH]n3)CC[C@H]21 ZINC000877744663 590410244 /nfs/dbraw/zinc/41/02/44/590410244.db2.gz WNJRIQFWTMVGTJ-CMPLNLGQSA-N 2 2 220.320 0.936 20 0 BCADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cc[nH]n3)CC[C@H]21 ZINC000877744663 590410245 /nfs/dbraw/zinc/41/02/45/590410245.db2.gz WNJRIQFWTMVGTJ-CMPLNLGQSA-N 2 2 220.320 0.936 20 0 BCADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc[nH]n3)CC[C@H]21 ZINC000877744663 590410248 /nfs/dbraw/zinc/41/02/48/590410248.db2.gz WNJRIQFWTMVGTJ-CMPLNLGQSA-N 2 2 220.320 0.936 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877744280 590411318 /nfs/dbraw/zinc/41/13/18/590411318.db2.gz RBETVYANIJKMRI-NEPJUHHUSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877744280 590411320 /nfs/dbraw/zinc/41/13/20/590411320.db2.gz RBETVYANIJKMRI-NEPJUHHUSA-N 2 2 234.347 0.946 20 0 BCADLP C[C@@H]1COCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000878299444 590537915 /nfs/dbraw/zinc/53/79/15/590537915.db2.gz UBXDKAZDMNRVHU-NSHDSACASA-N 2 2 223.320 0.931 20 0 BCADLP C[C@@H]1COCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000878299444 590537916 /nfs/dbraw/zinc/53/79/16/590537916.db2.gz UBXDKAZDMNRVHU-NSHDSACASA-N 2 2 223.320 0.931 20 0 BCADLP C[C@@H]1CN(CCc2c[nH+]cn2C)CC[N@@H+]1C ZINC000878316434 590543249 /nfs/dbraw/zinc/54/32/49/590543249.db2.gz JAEYDSZDMLVSLQ-LLVKDONJSA-N 2 2 222.336 0.599 20 0 BCADLP C[C@@H]1CN(CCc2c[nH+]cn2C)CC[N@H+]1C ZINC000878316434 590543251 /nfs/dbraw/zinc/54/32/51/590543251.db2.gz JAEYDSZDMLVSLQ-LLVKDONJSA-N 2 2 222.336 0.599 20 0 BCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCF)C1 ZINC000878864805 590634159 /nfs/dbraw/zinc/63/41/59/590634159.db2.gz AOKOEQXFHQTQLC-JTQLQIEISA-N 2 2 204.289 0.344 20 0 BCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCF)C1 ZINC000878864805 590634162 /nfs/dbraw/zinc/63/41/62/590634162.db2.gz AOKOEQXFHQTQLC-JTQLQIEISA-N 2 2 204.289 0.344 20 0 BCADLP C[N@H+](C/C=C\Cl)CC(=O)N1CC[NH+](C)CC1 ZINC000879352746 590752392 /nfs/dbraw/zinc/75/23/92/590752392.db2.gz BIPSXMHSTXTRBL-ARJAWSKDSA-N 2 2 245.754 0.445 20 0 BCADLP C[N@@H+](C/C=C\Cl)CC(=O)N1CC[NH+](C)CC1 ZINC000879352746 590752393 /nfs/dbraw/zinc/75/23/93/590752393.db2.gz BIPSXMHSTXTRBL-ARJAWSKDSA-N 2 2 245.754 0.445 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879567197 590805495 /nfs/dbraw/zinc/80/54/95/590805495.db2.gz NPFXNQIGZVDCDA-GRYCIOLGSA-N 2 2 239.363 0.489 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879567197 590805498 /nfs/dbraw/zinc/80/54/98/590805498.db2.gz NPFXNQIGZVDCDA-GRYCIOLGSA-N 2 2 239.363 0.489 20 0 BCADLP C[C@H](C(=O)N(C)C)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879567197 590805500 /nfs/dbraw/zinc/80/55/00/590805500.db2.gz NPFXNQIGZVDCDA-GRYCIOLGSA-N 2 2 239.363 0.489 20 0 BCADLP C[C@H](C(=O)N(C)C)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879567197 590805502 /nfs/dbraw/zinc/80/55/02/590805502.db2.gz NPFXNQIGZVDCDA-GRYCIOLGSA-N 2 2 239.363 0.489 20 0 BCADLP CCN(C)C(=O)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879570331 590806463 /nfs/dbraw/zinc/80/64/63/590806463.db2.gz GUPRADCCJNOJDN-NEPJUHHUSA-N 2 2 239.363 0.491 20 0 BCADLP CCN(C)C(=O)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879570331 590806466 /nfs/dbraw/zinc/80/64/66/590806466.db2.gz GUPRADCCJNOJDN-NEPJUHHUSA-N 2 2 239.363 0.491 20 0 BCADLP CCN(C)C(=O)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879570331 590806469 /nfs/dbraw/zinc/80/64/69/590806469.db2.gz GUPRADCCJNOJDN-NEPJUHHUSA-N 2 2 239.363 0.491 20 0 BCADLP CCN(C)C(=O)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879570331 590806473 /nfs/dbraw/zinc/80/64/73/590806473.db2.gz GUPRADCCJNOJDN-NEPJUHHUSA-N 2 2 239.363 0.491 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](CCn3cccn3)CC[C@@H]21 ZINC000879571004 590810849 /nfs/dbraw/zinc/81/08/49/590810849.db2.gz LDZFLTKVSNWNTR-OLZOCXBDSA-N 2 2 234.347 0.909 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](CCn3cccn3)CC[C@@H]21 ZINC000879571004 590810851 /nfs/dbraw/zinc/81/08/51/590810851.db2.gz LDZFLTKVSNWNTR-OLZOCXBDSA-N 2 2 234.347 0.909 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](CCn3cccn3)CC[C@@H]21 ZINC000879571004 590810853 /nfs/dbraw/zinc/81/08/53/590810853.db2.gz LDZFLTKVSNWNTR-OLZOCXBDSA-N 2 2 234.347 0.909 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](CCn3cccn3)CC[C@@H]21 ZINC000879571004 590810855 /nfs/dbraw/zinc/81/08/55/590810855.db2.gz LDZFLTKVSNWNTR-OLZOCXBDSA-N 2 2 234.347 0.909 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC(=O)O3)CC[C@@H]21 ZINC000879578308 590814462 /nfs/dbraw/zinc/81/44/62/590814462.db2.gz CYFZYQFVTMLCCU-WOPDTQHZSA-N 2 2 238.331 0.718 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC(=O)O3)CC[C@@H]21 ZINC000879578308 590814464 /nfs/dbraw/zinc/81/44/64/590814464.db2.gz CYFZYQFVTMLCCU-WOPDTQHZSA-N 2 2 238.331 0.718 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCC(=O)O3)CC[C@@H]21 ZINC000879578308 590814466 /nfs/dbraw/zinc/81/44/66/590814466.db2.gz CYFZYQFVTMLCCU-WOPDTQHZSA-N 2 2 238.331 0.718 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC(=O)O3)CC[C@@H]21 ZINC000879578308 590814468 /nfs/dbraw/zinc/81/44/68/590814468.db2.gz CYFZYQFVTMLCCU-WOPDTQHZSA-N 2 2 238.331 0.718 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC(=O)O3)CC[C@H]21 ZINC000879578306 590815410 /nfs/dbraw/zinc/81/54/10/590815410.db2.gz CYFZYQFVTMLCCU-IJLUTSLNSA-N 2 2 238.331 0.718 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC(=O)O3)CC[C@H]21 ZINC000879578306 590815414 /nfs/dbraw/zinc/81/54/14/590815414.db2.gz CYFZYQFVTMLCCU-IJLUTSLNSA-N 2 2 238.331 0.718 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCC(=O)O3)CC[C@H]21 ZINC000879578306 590815418 /nfs/dbraw/zinc/81/54/18/590815418.db2.gz CYFZYQFVTMLCCU-IJLUTSLNSA-N 2 2 238.331 0.718 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCC(=O)O3)CC[C@H]21 ZINC000879578306 590815422 /nfs/dbraw/zinc/81/54/22/590815422.db2.gz CYFZYQFVTMLCCU-IJLUTSLNSA-N 2 2 238.331 0.718 20 0 BCADLP C[N@@H+]1CC[C@H]2C[NH+](CC3OCCO3)CC[C@H]21 ZINC000879579982 590818657 /nfs/dbraw/zinc/81/86/57/590818657.db2.gz CQAAQZNYTVWKSV-WDEREUQCSA-N 2 2 226.320 0.385 20 0 BCADLP C[N@H+]1CC[C@H]2C[NH+](CC3OCCO3)CC[C@H]21 ZINC000879579982 590818660 /nfs/dbraw/zinc/81/86/60/590818660.db2.gz CQAAQZNYTVWKSV-WDEREUQCSA-N 2 2 226.320 0.385 20 0 BCADLP C[NH+]1CC[C@H]2C[N@H+](CC3OCCO3)CC[C@H]21 ZINC000879579982 590818662 /nfs/dbraw/zinc/81/86/62/590818662.db2.gz CQAAQZNYTVWKSV-WDEREUQCSA-N 2 2 226.320 0.385 20 0 BCADLP C[NH+]1CC[C@H]2C[N@@H+](CC3OCCO3)CC[C@H]21 ZINC000879579982 590818663 /nfs/dbraw/zinc/81/86/63/590818663.db2.gz CQAAQZNYTVWKSV-WDEREUQCSA-N 2 2 226.320 0.385 20 0 BCADLP COCCOCC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880133115 590935790 /nfs/dbraw/zinc/93/57/90/590935790.db2.gz NCUVTLYYTIWEQJ-CHWSQXEVSA-N 2 2 242.363 0.818 20 0 BCADLP COCCOCC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880133115 590935793 /nfs/dbraw/zinc/93/57/93/590935793.db2.gz NCUVTLYYTIWEQJ-CHWSQXEVSA-N 2 2 242.363 0.818 20 0 BCADLP COCCOCC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880133115 590935797 /nfs/dbraw/zinc/93/57/97/590935797.db2.gz NCUVTLYYTIWEQJ-CHWSQXEVSA-N 2 2 242.363 0.818 20 0 BCADLP COCCOCC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880133115 590935802 /nfs/dbraw/zinc/93/58/02/590935802.db2.gz NCUVTLYYTIWEQJ-CHWSQXEVSA-N 2 2 242.363 0.818 20 0 BCADLP COC[C@@H](O)C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880136167 590938446 /nfs/dbraw/zinc/93/84/46/590938446.db2.gz HFRVLBNTPYCYHT-SDDRHHMPSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880136167 590938444 /nfs/dbraw/zinc/93/84/44/590938444.db2.gz HFRVLBNTPYCYHT-SDDRHHMPSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@@H](O)C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880136167 590938448 /nfs/dbraw/zinc/93/84/48/590938448.db2.gz HFRVLBNTPYCYHT-SDDRHHMPSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@@H](O)C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880136167 590938450 /nfs/dbraw/zinc/93/84/50/590938450.db2.gz HFRVLBNTPYCYHT-SDDRHHMPSA-N 2 2 228.336 0.162 20 0 BCADLP O=C1CC2(CCC2)[N@H+](CCn2cc[nH+]c2)CCN1 ZINC000880168990 590949065 /nfs/dbraw/zinc/94/90/65/590949065.db2.gz ISRYCTURBZXEHP-UHFFFAOYSA-N 2 2 248.330 0.628 20 0 BCADLP O=C1CC2(CCC2)[N@@H+](CCn2cc[nH+]c2)CCN1 ZINC000880168990 590949068 /nfs/dbraw/zinc/94/90/68/590949068.db2.gz ISRYCTURBZXEHP-UHFFFAOYSA-N 2 2 248.330 0.628 20 0 BCADLP C[C@H]1C[N@H+](CC(N)=O)CCN1c1cc[nH+]cc1 ZINC000880261969 590980191 /nfs/dbraw/zinc/98/01/91/590980191.db2.gz PLMMNUNGUBBUQM-JTQLQIEISA-N 2 2 234.303 0.077 20 0 BCADLP C[C@H]1C[N@@H+](CC(N)=O)CCN1c1cc[nH+]cc1 ZINC000880261969 590980196 /nfs/dbraw/zinc/98/01/96/590980196.db2.gz PLMMNUNGUBBUQM-JTQLQIEISA-N 2 2 234.303 0.077 20 0 BCADLP CO[C@H]1COCC[C@H]1[N@H+](C)CCn1cc[nH+]c1 ZINC000880433796 591034394 /nfs/dbraw/zinc/03/43/94/591034394.db2.gz ZVNCSOBEXYAMLO-NEPJUHHUSA-N 2 2 239.319 0.619 20 0 BCADLP CO[C@H]1COCC[C@H]1[N@@H+](C)CCn1cc[nH+]c1 ZINC000880433796 591034400 /nfs/dbraw/zinc/03/44/00/591034400.db2.gz ZVNCSOBEXYAMLO-NEPJUHHUSA-N 2 2 239.319 0.619 20 0 BCADLP CC1([NH+]2CCC2)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000880472932 591053467 /nfs/dbraw/zinc/05/34/67/591053467.db2.gz JGPCUIQMEDQBFB-LLVKDONJSA-N 2 2 237.347 0.435 20 0 BCADLP CC[NH+](CC)CCC[N@@H+]1CC=C[C@H]1CO ZINC000880488301 591063606 /nfs/dbraw/zinc/06/36/06/591063606.db2.gz BUQLMOOCWPKBSD-LBPRGKRZSA-N 2 2 212.337 0.951 20 0 BCADLP CC[NH+](CC)CCC[N@H+]1CC=C[C@H]1CO ZINC000880488301 591063610 /nfs/dbraw/zinc/06/36/10/591063610.db2.gz BUQLMOOCWPKBSD-LBPRGKRZSA-N 2 2 212.337 0.951 20 0 BCADLP Nc1cc(C[N@@H+]2CC=C[C@H]2CO)cc[nH+]1 ZINC000880488820 591067210 /nfs/dbraw/zinc/06/72/10/591067210.db2.gz NBBGITFVPLYVPG-JTQLQIEISA-N 2 2 205.261 0.397 20 0 BCADLP Nc1cc(C[N@H+]2CC=C[C@H]2CO)cc[nH+]1 ZINC000880488820 591067214 /nfs/dbraw/zinc/06/72/14/591067214.db2.gz NBBGITFVPLYVPG-JTQLQIEISA-N 2 2 205.261 0.397 20 0 BCADLP C[NH+]1CCC([NH2+]CCC[S@](C)=O)CC1 ZINC000129413661 591294003 /nfs/dbraw/zinc/29/40/03/591294003.db2.gz LPSQNJISAJEPCU-CQSZACIVSA-N 2 2 218.366 0.439 20 0 BCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000882484879 591361246 /nfs/dbraw/zinc/36/12/46/591361246.db2.gz MRQSBDQZXNOCKB-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP CC[N@H+]1CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000882484879 591361251 /nfs/dbraw/zinc/36/12/51/591361251.db2.gz MRQSBDQZXNOCKB-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000882491754 591370139 /nfs/dbraw/zinc/37/01/39/591370139.db2.gz LCZVPKXZRQNOLO-SNVBAGLBSA-N 2 2 236.319 0.173 20 0 BCADLP CC[N@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000882491754 591370145 /nfs/dbraw/zinc/37/01/45/591370145.db2.gz LCZVPKXZRQNOLO-SNVBAGLBSA-N 2 2 236.319 0.173 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000129878202 591414725 /nfs/dbraw/zinc/41/47/25/591414725.db2.gz ZETCOFDCFBKGSG-SECBINFHSA-N 2 2 222.292 0.164 20 0 BCADLP [NH3+][C@H](CC(=O)NCc1[nH]cc[nH+]1)C1CC1 ZINC000129903043 591417744 /nfs/dbraw/zinc/41/77/44/591417744.db2.gz VASVGLIVCRHIHP-MRVPVSSYSA-N 2 2 208.265 0.153 20 0 BCADLP CC(C)[C@@H](C(=O)NC1=[NH+]CCS1)[NH+](C)C ZINC000130045583 591433663 /nfs/dbraw/zinc/43/36/63/591433663.db2.gz VDWCURDEDGXQRN-QMMMGPOBSA-N 2 2 229.349 0.792 20 0 BCADLP COC[C@H]([NH2+]CC[NH+](C)C)[C@H]1CCCOC1 ZINC000883222603 591577978 /nfs/dbraw/zinc/57/79/78/591577978.db2.gz WOVLGZPVGKAULH-RYUDHWBXSA-N 2 2 230.352 0.579 20 0 BCADLP COC[C@H]1C[C@@H]([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000883316103 591612307 /nfs/dbraw/zinc/61/23/07/591612307.db2.gz KSKNATPXMFMXLC-NNYUYHANSA-N 2 2 212.337 0.951 20 0 BCADLP COC[C@H]1C[C@@H]([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000883316103 591612308 /nfs/dbraw/zinc/61/23/08/591612308.db2.gz KSKNATPXMFMXLC-NNYUYHANSA-N 2 2 212.337 0.951 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](C)C[C@H]1CCC2(CCOCC2)O1 ZINC000883438479 591667026 /nfs/dbraw/zinc/66/70/26/591667026.db2.gz UFRYDYWWYNLQEO-VXGBXAGGSA-N 2 2 242.363 0.994 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@H]1CCC2(CCOCC2)O1 ZINC000883438479 591667029 /nfs/dbraw/zinc/66/70/29/591667029.db2.gz UFRYDYWWYNLQEO-VXGBXAGGSA-N 2 2 242.363 0.994 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H]1CCC2(CCOCC2)O1 ZINC000883438478 591667260 /nfs/dbraw/zinc/66/72/60/591667260.db2.gz UFRYDYWWYNLQEO-RYUDHWBXSA-N 2 2 242.363 0.994 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1CCC2(CCOCC2)O1 ZINC000883438478 591667263 /nfs/dbraw/zinc/66/72/63/591667263.db2.gz UFRYDYWWYNLQEO-RYUDHWBXSA-N 2 2 242.363 0.994 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CCCC[C@@H]1C[NH2+]C ZINC000883450181 591670789 /nfs/dbraw/zinc/67/07/89/591670789.db2.gz FCMFCFOHYOKKCP-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CCCC[C@@H]1C[NH2+]C ZINC000883450181 591670791 /nfs/dbraw/zinc/67/07/91/591670791.db2.gz FCMFCFOHYOKKCP-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP c1ncc2c(n1)CC[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000883461842 591674043 /nfs/dbraw/zinc/67/40/43/591674043.db2.gz DZRYBIJABYECSZ-SNVBAGLBSA-N 2 2 218.304 0.444 20 0 BCADLP c1ncc2c(n1)CC[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000883461842 591674045 /nfs/dbraw/zinc/67/40/45/591674045.db2.gz DZRYBIJABYECSZ-SNVBAGLBSA-N 2 2 218.304 0.444 20 0 BCADLP Cc1cn(C(C)(C)C(=O)NCCC[NH3+])c[nH+]1 ZINC000884008386 591796190 /nfs/dbraw/zinc/79/61/90/591796190.db2.gz NTJBEJVQJMMJDW-UHFFFAOYSA-N 2 2 224.308 0.392 20 0 BCADLP Nc1ccc(NC(=O)[C@H]([NH3+])CC2CC2)c[nH+]1 ZINC000884025250 591806046 /nfs/dbraw/zinc/80/60/46/591806046.db2.gz QOYFXVOTEDCJLC-SECBINFHSA-N 2 2 220.276 0.730 20 0 BCADLP COC(=O)CC1([NH2+]Cc2c[nH+]c[nH]2)CCC1 ZINC000134414960 591927123 /nfs/dbraw/zinc/92/71/23/591927123.db2.gz SUARBAYOFOJBCH-UHFFFAOYSA-N 2 2 223.276 0.985 20 0 BCADLP Cc1nc(NCC[N@@H+](C)CCO)cc[nH+]1 ZINC000884824920 592017773 /nfs/dbraw/zinc/01/77/73/592017773.db2.gz VVVHUMJZVIWVDM-UHFFFAOYSA-N 2 2 210.281 0.121 20 0 BCADLP CCc1cc(NCC[N@H+](C)CCO)nc[nH+]1 ZINC000884824756 592021744 /nfs/dbraw/zinc/02/17/44/592021744.db2.gz MHFLLDSTIGQCCD-UHFFFAOYSA-N 2 2 224.308 0.375 20 0 BCADLP CCc1cc(NCC[N@@H+](C)CCO)nc[nH+]1 ZINC000884824756 592021746 /nfs/dbraw/zinc/02/17/46/592021746.db2.gz MHFLLDSTIGQCCD-UHFFFAOYSA-N 2 2 224.308 0.375 20 0 BCADLP C[N@H+](CCO)CCNc1[nH+]cnc2[nH]ccc21 ZINC000884823798 592023030 /nfs/dbraw/zinc/02/30/30/592023030.db2.gz FPDJGNBEGDDQRD-UHFFFAOYSA-N 2 2 235.291 0.294 20 0 BCADLP C[N@@H+](CCO)CCNc1[nH+]cnc2[nH]ccc21 ZINC000884823798 592023032 /nfs/dbraw/zinc/02/30/32/592023032.db2.gz FPDJGNBEGDDQRD-UHFFFAOYSA-N 2 2 235.291 0.294 20 0 BCADLP c1cn(CC[N@@H+]2CCCn3nncc3C2)c[nH+]1 ZINC000886461031 592228112 /nfs/dbraw/zinc/22/81/12/592228112.db2.gz GYWKQZSCEUGHKP-UHFFFAOYSA-N 2 2 232.291 0.381 20 0 BCADLP c1cn(CC[N@H+]2CCCn3nncc3C2)c[nH+]1 ZINC000886461031 592228113 /nfs/dbraw/zinc/22/81/13/592228113.db2.gz GYWKQZSCEUGHKP-UHFFFAOYSA-N 2 2 232.291 0.381 20 0 BCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000886489130 592236222 /nfs/dbraw/zinc/23/62/22/592236222.db2.gz AMEOQGCYPMMPHN-GHMZBOCLSA-N 2 2 237.303 0.814 20 0 BCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000886522729 592244575 /nfs/dbraw/zinc/24/45/75/592244575.db2.gz PZCAVWWFYDVWJE-AXFHLTTASA-N 2 2 228.336 0.868 20 0 BCADLP COC(=O)[C@H]1CC[C@H]([NH2+]CC[NH+](C)C)C1 ZINC000886608788 592274429 /nfs/dbraw/zinc/27/44/29/592274429.db2.gz FZODUILTAQHZBR-UWVGGRQHSA-N 2 2 214.309 0.479 20 0 BCADLP CC[N@H+](CCS(C)(=O)=O)C[C@H]1CCC[NH2+]C1 ZINC000220380353 592306254 /nfs/dbraw/zinc/30/62/54/592306254.db2.gz NHVNCCHYXGOSPH-NSHDSACASA-N 2 2 248.392 0.353 20 0 BCADLP CC[N@@H+](CCS(C)(=O)=O)C[C@H]1CCC[NH2+]C1 ZINC000220380353 592306257 /nfs/dbraw/zinc/30/62/57/592306257.db2.gz NHVNCCHYXGOSPH-NSHDSACASA-N 2 2 248.392 0.353 20 0 BCADLP [NH3+]CC[N@H+](CCO)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886832712 592353585 /nfs/dbraw/zinc/35/35/85/592353585.db2.gz LWCDBTFFOJQEFR-RYUDHWBXSA-N 2 2 228.336 0.197 20 0 BCADLP [NH3+]CC[N@@H+](CCO)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886832712 592353589 /nfs/dbraw/zinc/35/35/89/592353589.db2.gz LWCDBTFFOJQEFR-RYUDHWBXSA-N 2 2 228.336 0.197 20 0 BCADLP [NH3+]CC[N@H+](CCO)C[C@H]1CCC2(CCC2)CO1 ZINC000886832100 592354953 /nfs/dbraw/zinc/35/49/53/592354953.db2.gz APIVMAMRVYAMOE-GFCCVEGCSA-N 2 2 242.363 0.589 20 0 BCADLP [NH3+]CC[N@@H+](CCO)C[C@H]1CCC2(CCC2)CO1 ZINC000886832100 592354961 /nfs/dbraw/zinc/35/49/61/592354961.db2.gz APIVMAMRVYAMOE-GFCCVEGCSA-N 2 2 242.363 0.589 20 0 BCADLP [NH3+]CC[N@H+](CCO)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886832711 592355088 /nfs/dbraw/zinc/35/50/88/592355088.db2.gz LWCDBTFFOJQEFR-NWDGAFQWSA-N 2 2 228.336 0.197 20 0 BCADLP [NH3+]CC[N@@H+](CCO)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886832711 592355094 /nfs/dbraw/zinc/35/50/94/592355094.db2.gz LWCDBTFFOJQEFR-NWDGAFQWSA-N 2 2 228.336 0.197 20 0 BCADLP CC[N@H+](C[C@H]1CCc2ncnn21)[C@H]1CC[NH2+]C1 ZINC000886846669 592363993 /nfs/dbraw/zinc/36/39/93/592363993.db2.gz JIDXGCJXIHINMU-WDEREUQCSA-N 2 2 235.335 0.449 20 0 BCADLP CC[N@@H+](C[C@H]1CCc2ncnn21)[C@H]1CC[NH2+]C1 ZINC000886846669 592363997 /nfs/dbraw/zinc/36/39/97/592363997.db2.gz JIDXGCJXIHINMU-WDEREUQCSA-N 2 2 235.335 0.449 20 0 BCADLP CC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CC[NH2+]C1 ZINC000886847058 592365906 /nfs/dbraw/zinc/36/59/06/592365906.db2.gz YACVRGAIPNPYKB-NEPJUHHUSA-N 3 2 239.363 0.191 20 0 BCADLP CC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CC[NH2+]C1 ZINC000886847058 592365912 /nfs/dbraw/zinc/36/59/12/592365912.db2.gz YACVRGAIPNPYKB-NEPJUHHUSA-N 3 2 239.363 0.191 20 0 BCADLP c1nnn2c1C[N@H+](C[C@H]1CCC[NH2+]C1)CCC2 ZINC000886858298 592370356 /nfs/dbraw/zinc/37/03/56/592370356.db2.gz VMLMUDJBPVUFKX-NSHDSACASA-N 2 2 235.335 0.483 20 0 BCADLP c1nnn2c1C[N@@H+](C[C@H]1CCC[NH2+]C1)CCC2 ZINC000886858298 592370364 /nfs/dbraw/zinc/37/03/64/592370364.db2.gz VMLMUDJBPVUFKX-NSHDSACASA-N 2 2 235.335 0.483 20 0 BCADLP CC[C@H](C(=O)NCc1cn(C)c[nH+]1)[NH+](C)C ZINC000890104514 592679849 /nfs/dbraw/zinc/67/98/49/592679849.db2.gz YUNAASDZRKEBCX-SNVBAGLBSA-N 2 2 224.308 0.377 20 0 BCADLP CC[C@H]1C[N@H+](Cc2nonc2C)CC[C@@H]1[NH3+] ZINC000122861248 592713100 /nfs/dbraw/zinc/71/31/00/592713100.db2.gz XTZSOOAAHVAUQD-UWVGGRQHSA-N 2 2 224.308 0.937 20 0 BCADLP CC[C@H]1C[N@@H+](Cc2nonc2C)CC[C@@H]1[NH3+] ZINC000122861248 592713104 /nfs/dbraw/zinc/71/31/04/592713104.db2.gz XTZSOOAAHVAUQD-UWVGGRQHSA-N 2 2 224.308 0.937 20 0 BCADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)NC2CC2)CC1 ZINC000365376538 592730813 /nfs/dbraw/zinc/73/08/13/592730813.db2.gz DEHIWGKFZYMIBK-LBPRGKRZSA-N 2 2 239.363 0.681 20 0 BCADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)NC2CC2)CC1 ZINC000365376538 592730820 /nfs/dbraw/zinc/73/08/20/592730820.db2.gz DEHIWGKFZYMIBK-LBPRGKRZSA-N 2 2 239.363 0.681 20 0 BCADLP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C12CCC2 ZINC000925709635 634401912 /nfs/dbraw/zinc/40/19/12/634401912.db2.gz ORHJUXFBXCHMFQ-UTUOFQBUSA-N 3 2 239.363 0.224 20 0 BCADLP CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027091550 634436755 /nfs/dbraw/zinc/43/67/55/634436755.db2.gz PAKBHESAACTODK-JTQLQIEISA-N 2 2 236.319 0.410 20 0 BCADLP COC(=O)N(C)CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925716445 634447104 /nfs/dbraw/zinc/44/71/04/634447104.db2.gz QXGQMOIISQXKKT-VIFPVBQESA-N 2 2 229.324 0.415 20 0 BCADLP FC1(F)C[C@H]1CC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925720054 634457689 /nfs/dbraw/zinc/45/76/89/634457689.db2.gz DXTGBSJTSBKDGV-BDAKNGLRSA-N 2 2 220.263 0.610 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000225445279 635410361 /nfs/dbraw/zinc/41/03/61/635410361.db2.gz AGZOSUWAGXSBJE-DTWKUNHWSA-N 2 2 240.269 0.841 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000225445279 635410368 /nfs/dbraw/zinc/41/03/68/635410368.db2.gz AGZOSUWAGXSBJE-DTWKUNHWSA-N 2 2 240.269 0.841 20 0 BCADLP CCC[C@H](O)CC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000925855020 635544029 /nfs/dbraw/zinc/54/40/29/635544029.db2.gz FYNDBHVXACHKJW-XQQFMLRXSA-N 2 2 244.379 0.894 20 0 BCADLP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CNOC3)CC[NH2+]2)cc1 ZINC000925865441 635565530 /nfs/dbraw/zinc/56/55/30/635565530.db2.gz RAQMBANDAKEEMP-RDBSUJKOSA-N 2 2 247.342 0.973 20 0 BCADLP COc1ncncc1C[NH2+]CCCn1cc[nH+]c1 ZINC000647166517 631243078 /nfs/dbraw/zinc/24/30/78/631243078.db2.gz SGWHQJVTPOXVHI-UHFFFAOYSA-N 2 2 247.302 0.862 20 0 BCADLP C[N@H+](C[C@@H]([NH3+])CC(F)F)[C@H]1CCOC1 ZINC000308463021 631300229 /nfs/dbraw/zinc/30/02/29/631300229.db2.gz GGQLMQOGJIHTFU-YUMQZZPRSA-N 2 2 208.252 0.690 20 0 BCADLP C[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@H]1CCOC1 ZINC000308463021 631300233 /nfs/dbraw/zinc/30/02/33/631300233.db2.gz GGQLMQOGJIHTFU-YUMQZZPRSA-N 2 2 208.252 0.690 20 0 BCADLP Cc1[nH+]ccn1CC[NH+]1CC(O)(C(C)C)C1 ZINC000084376938 631441013 /nfs/dbraw/zinc/44/10/13/631441013.db2.gz GQQNOKFBWHGRTR-UHFFFAOYSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1cc(N)nc(NCc2c[nH+]cn2C)[nH+]1 ZINC000893899666 635634844 /nfs/dbraw/zinc/63/48/44/635634844.db2.gz GFRWXLZEPXCPMP-UHFFFAOYSA-N 2 2 218.264 0.713 20 0 BCADLP OC[C@H]1CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000934016965 631614333 /nfs/dbraw/zinc/61/43/33/631614333.db2.gz PEJFUNUNVALINZ-GFCCVEGCSA-N 2 2 212.337 0.929 20 0 BCADLP OC[C@H]1CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000934016965 631614336 /nfs/dbraw/zinc/61/43/36/631614336.db2.gz PEJFUNUNVALINZ-GFCCVEGCSA-N 2 2 212.337 0.929 20 0 BCADLP Cl/C=C\C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000309029957 631805073 /nfs/dbraw/zinc/80/50/73/631805073.db2.gz AVYBZAOJBCHBII-NNRVYMOVSA-N 2 2 229.755 0.718 20 0 BCADLP CCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001022774717 631914717 /nfs/dbraw/zinc/91/47/17/631914717.db2.gz ARAKKEFSNDHKGY-AOOOYVTPSA-N 2 2 236.319 0.599 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+]Cc1cnccn1 ZINC000309198569 631946196 /nfs/dbraw/zinc/94/61/96/631946196.db2.gz KUCRWQJQDYMDMP-UHFFFAOYSA-N 2 2 217.276 0.771 20 0 BCADLP C[C@H]1CC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000309204929 631967190 /nfs/dbraw/zinc/96/71/90/631967190.db2.gz MGHKKHOIDACDFN-WDEREUQCSA-N 2 2 225.336 0.149 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224217115 632015041 /nfs/dbraw/zinc/01/50/41/632015041.db2.gz LEWMPFMFRGLTAL-QWRGUYRKSA-N 2 2 227.352 0.428 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224217115 632015046 /nfs/dbraw/zinc/01/50/46/632015046.db2.gz LEWMPFMFRGLTAL-QWRGUYRKSA-N 2 2 227.352 0.428 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001023161297 632402328 /nfs/dbraw/zinc/40/23/28/632402328.db2.gz VHLDZWFIEAOCGM-AOOOYVTPSA-N 2 2 240.282 0.089 20 0 BCADLP Cc1cc(NCc2c[nH+]cn2C)nc(N)[nH+]1 ZINC000309266627 632865261 /nfs/dbraw/zinc/86/52/61/632865261.db2.gz JQJIWLOLTIPDFH-UHFFFAOYSA-N 2 2 218.264 0.713 20 0 BCADLP O[C@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)C(F)(F)F ZINC000309300235 632906248 /nfs/dbraw/zinc/90/62/48/632906248.db2.gz SXJSDHKOHSBLLF-DJLDLDEBSA-N 2 2 238.253 0.593 20 0 BCADLP O[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)C(F)(F)F ZINC000309300235 632906251 /nfs/dbraw/zinc/90/62/51/632906251.db2.gz SXJSDHKOHSBLLF-DJLDLDEBSA-N 2 2 238.253 0.593 20 0 BCADLP C[C@@H]1[C@H](NC(=O)CNc2cccc[nH+]2)CC[N@@H+]1C ZINC000928431243 635915725 /nfs/dbraw/zinc/91/57/25/635915725.db2.gz MFYXUDLXCUTUPI-GHMZBOCLSA-N 2 2 248.330 0.702 20 0 BCADLP C[C@@H]1[C@H](NC(=O)CNc2cccc[nH+]2)CC[N@H+]1C ZINC000928431243 635915729 /nfs/dbraw/zinc/91/57/29/635915729.db2.gz MFYXUDLXCUTUPI-GHMZBOCLSA-N 2 2 248.330 0.702 20 0 BCADLP C[C@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC000928434468 635929239 /nfs/dbraw/zinc/92/92/39/635929239.db2.gz DWFUJWSHWHEYLC-ONGXEEELSA-N 2 2 236.319 0.171 20 0 BCADLP C[C@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1C ZINC000928434468 635929244 /nfs/dbraw/zinc/92/92/44/635929244.db2.gz DWFUJWSHWHEYLC-ONGXEEELSA-N 2 2 236.319 0.171 20 0 BCADLP C[C@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC000928434465 635929503 /nfs/dbraw/zinc/92/95/03/635929503.db2.gz DWFUJWSHWHEYLC-GXSJLCMTSA-N 2 2 236.319 0.171 20 0 BCADLP C[C@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1C ZINC000928434465 635929507 /nfs/dbraw/zinc/92/95/07/635929507.db2.gz DWFUJWSHWHEYLC-GXSJLCMTSA-N 2 2 236.319 0.171 20 0 BCADLP C[C@@H](CC(=O)NC[C@H]1CC[N@@H+]1C)n1cc[nH+]c1 ZINC000928552737 636086956 /nfs/dbraw/zinc/08/69/56/636086956.db2.gz LAGWVALJNZFDJD-WDEREUQCSA-N 2 2 236.319 0.655 20 0 BCADLP C[C@@H](CC(=O)NC[C@H]1CC[N@H+]1C)n1cc[nH+]c1 ZINC000928552737 636086958 /nfs/dbraw/zinc/08/69/58/636086958.db2.gz LAGWVALJNZFDJD-WDEREUQCSA-N 2 2 236.319 0.655 20 0 BCADLP C[C@H](CC(=O)NC[C@@H]1CC[N@@H+]1C)n1cc[nH+]c1 ZINC000928552734 636087135 /nfs/dbraw/zinc/08/71/35/636087135.db2.gz LAGWVALJNZFDJD-MNOVXSKESA-N 2 2 236.319 0.655 20 0 BCADLP C[C@H](CC(=O)NC[C@@H]1CC[N@H+]1C)n1cc[nH+]c1 ZINC000928552734 636087137 /nfs/dbraw/zinc/08/71/37/636087137.db2.gz LAGWVALJNZFDJD-MNOVXSKESA-N 2 2 236.319 0.655 20 0 BCADLP Cc1[nH]c(C[N@@H+](C)C2(CO)CC2)c(C)[nH+]1 ZINC000930464645 633839525 /nfs/dbraw/zinc/83/95/25/633839525.db2.gz GKYGZEOGDDKOQD-UHFFFAOYSA-N 2 2 209.293 0.983 20 0 BCADLP Cc1[nH]c(C[N@H+](C)C2(CO)CC2)c(C)[nH+]1 ZINC000930464645 633839526 /nfs/dbraw/zinc/83/95/26/633839526.db2.gz GKYGZEOGDDKOQD-UHFFFAOYSA-N 2 2 209.293 0.983 20 0 BCADLP CNc1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)nc[nH+]1 ZINC000893160301 633854808 /nfs/dbraw/zinc/85/48/08/633854808.db2.gz UUTQFOUFEANOTB-JTQLQIEISA-N 2 2 249.318 0.039 20 0 BCADLP CNc1cc(N2CC[N@H+]3CCOC[C@@H]3C2)nc[nH+]1 ZINC000893160301 633854814 /nfs/dbraw/zinc/85/48/14/633854814.db2.gz UUTQFOUFEANOTB-JTQLQIEISA-N 2 2 249.318 0.039 20 0 BCADLP C(C[NH2+][C@H]1C[NH2+]CCOC1)COCC1CC1 ZINC000925516020 633858747 /nfs/dbraw/zinc/85/87/47/633858747.db2.gz BSJYERXCMOANAU-LBPRGKRZSA-N 2 2 228.336 0.381 20 0 BCADLP CC[C@@H]([NH2+][C@H]1C[NH2+]CCOC1)C1CCOCC1 ZINC000925539686 633949061 /nfs/dbraw/zinc/94/90/61/633949061.db2.gz XQFGCPCIXHXOMK-QWHCGFSZSA-N 2 2 242.363 0.770 20 0 BCADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]CCOC1)C1CCOCC1 ZINC000925539670 633949579 /nfs/dbraw/zinc/94/95/79/633949579.db2.gz XQFGCPCIXHXOMK-CHWSQXEVSA-N 2 2 242.363 0.770 20 0 BCADLP CCc1nc(CC[NH2+][C@H]2CC[NH2+]C2(C)C)no1 ZINC000925588906 634098812 /nfs/dbraw/zinc/09/88/12/634098812.db2.gz BPIMIZXEOCSMFN-VIFPVBQESA-N 2 2 238.335 0.905 20 0 BCADLP CCc1nc(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)no1 ZINC000925588905 634099323 /nfs/dbraw/zinc/09/93/23/634099323.db2.gz BPIMIZXEOCSMFN-SECBINFHSA-N 2 2 238.335 0.905 20 0 BCADLP CC(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925603706 634131487 /nfs/dbraw/zinc/13/14/87/634131487.db2.gz DERNPRRGNOITOU-AVGNSLFASA-N 2 2 242.363 0.626 20 0 BCADLP C(C[NH2+][C@H]1C[NH2+]CCOC1)C[C@@H]1CCOC1 ZINC000925687386 634303856 /nfs/dbraw/zinc/30/38/56/634303856.db2.gz JRLWFHRRGJWLAM-NEPJUHHUSA-N 2 2 228.336 0.381 20 0 BCADLP CC[NH2+]CCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925689177 634307082 /nfs/dbraw/zinc/30/70/82/634307082.db2.gz HEFFIKNHZDMVES-GHMZBOCLSA-N 3 2 211.353 0.846 20 0 BCADLP COCC1(C[NH2+][C@H]2C[NH2+]CCOC2)CCCC1 ZINC000925695967 634352892 /nfs/dbraw/zinc/35/28/92/634352892.db2.gz YRORIYMJBJRRNZ-LBPRGKRZSA-N 2 2 242.363 0.771 20 0 BCADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C12CCC2 ZINC000925700041 634368800 /nfs/dbraw/zinc/36/88/00/634368800.db2.gz MXYWGICMAHLVLJ-IJLUTSLNSA-N 3 2 223.364 0.988 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC[NH2+]1 ZINC000925700753 634372336 /nfs/dbraw/zinc/37/23/36/634372336.db2.gz SLFWVTUWRCFDMQ-KKOKHZNYSA-N 3 2 223.364 0.986 20 0 BCADLP C[C@@H]([NH3+])[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccccc1 ZINC000925702300 634376856 /nfs/dbraw/zinc/37/68/56/634376856.db2.gz NDPQEJCHJQSZFC-FOUMNBMASA-N 2 2 247.342 0.928 20 0 BCADLP C[NH2+]C1CCN(c2cc(N(C)C)[nH+]cn2)CC1 ZINC000258548346 635168576 /nfs/dbraw/zinc/16/85/76/635168576.db2.gz ACVBCUBGQFHMAU-UHFFFAOYSA-N 2 2 235.335 0.731 20 0 BCADLP C[NH2+]C1CCN(c2cc(N(C)C)nc[nH+]2)CC1 ZINC000258548346 635168584 /nfs/dbraw/zinc/16/85/84/635168584.db2.gz ACVBCUBGQFHMAU-UHFFFAOYSA-N 2 2 235.335 0.731 20 0 BCADLP CN(C)c1cc(NCC(C)(C)[NH3+])nc[nH+]1 ZINC000258644809 635180353 /nfs/dbraw/zinc/18/03/53/635180353.db2.gz LZMHPDSQOGPFEV-UHFFFAOYSA-N 2 2 209.297 0.692 20 0 BCADLP C[C@@H](C[NH3+])Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000258699579 635190606 /nfs/dbraw/zinc/19/06/06/635190606.db2.gz RHDMDDHHFNNEQH-VIFPVBQESA-N 2 2 237.307 0.072 20 0 BCADLP C[C@@H]([NH3+])CCNc1cc(N(C)C)nc[nH+]1 ZINC000258744575 635194019 /nfs/dbraw/zinc/19/40/19/635194019.db2.gz WLQNVTCMTADLEE-MRVPVSSYSA-N 2 2 209.297 0.692 20 0 BCADLP C[C@@H]([NH3+])CCNc1cc(N(C)C)[nH+]cn1 ZINC000258744575 635194025 /nfs/dbraw/zinc/19/40/25/635194025.db2.gz WLQNVTCMTADLEE-MRVPVSSYSA-N 2 2 209.297 0.692 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000925779038 635267974 /nfs/dbraw/zinc/26/79/74/635267974.db2.gz LHTIXFHRMLTICK-MROQNXINSA-N 3 2 241.379 0.613 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000925779031 635268508 /nfs/dbraw/zinc/26/85/08/635268508.db2.gz LHTIXFHRMLTICK-FDYHWXHSSA-N 3 2 241.379 0.613 20 0 BCADLP Cn1nccc1[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925891374 635617764 /nfs/dbraw/zinc/61/77/64/635617764.db2.gz VDMNXTWENKBZIL-WDEREUQCSA-N 2 2 238.335 0.184 20 0 BCADLP CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC000987266369 636644858 /nfs/dbraw/zinc/64/48/58/636644858.db2.gz JYCSDKGGTOPACY-NXEZZACHSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@@H](CO)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925278890 636703257 /nfs/dbraw/zinc/70/32/57/636703257.db2.gz IEXAJZRIPZNLJM-QJPTWQEYSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@@H](CO)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925278890 636703261 /nfs/dbraw/zinc/70/32/61/636703261.db2.gz IEXAJZRIPZNLJM-QJPTWQEYSA-N 2 2 212.337 0.974 20 0 BCADLP CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000989493157 636860236 /nfs/dbraw/zinc/86/02/36/636860236.db2.gz RNGWNUMKFPLDLH-MWLCHTKSSA-N 2 2 236.319 0.551 20 0 BCADLP CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000989610907 636866935 /nfs/dbraw/zinc/86/69/35/636866935.db2.gz FZWBZNUHXUVSQG-NXEZZACHSA-N 2 2 236.319 0.551 20 0 BCADLP [NH3+]CCCCCC(=O)NCCn1cc[nH+]c1 ZINC000041051024 636956460 /nfs/dbraw/zinc/95/64/60/636956460.db2.gz BAMPEIGOKAVXQA-UHFFFAOYSA-N 2 2 224.308 0.518 20 0 BCADLP C([C@H]1CCC[NH2+]1)[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000903461812 637362686 /nfs/dbraw/zinc/36/26/86/637362686.db2.gz YKQQYCBDJQIWCC-WOPDTQHZSA-N 2 2 242.388 0.945 20 0 BCADLP C([C@H]1CCC[NH2+]1)[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000903461812 637362691 /nfs/dbraw/zinc/36/26/91/637362691.db2.gz YKQQYCBDJQIWCC-WOPDTQHZSA-N 2 2 242.388 0.945 20 0 BCADLP Cc1cn(C)nc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000903788754 637382126 /nfs/dbraw/zinc/38/21/26/637382126.db2.gz PQQNKUHYTXTJSM-NWDGAFQWSA-N 2 2 234.347 0.770 20 0 BCADLP Cc1cn(C)nc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000903788754 637382132 /nfs/dbraw/zinc/38/21/32/637382132.db2.gz PQQNKUHYTXTJSM-NWDGAFQWSA-N 2 2 234.347 0.770 20 0 BCADLP CC1(C)C[NH2+]C[C@@H]1[NH2+]CC1=CCCOC1 ZINC000904462650 637407025 /nfs/dbraw/zinc/40/70/25/637407025.db2.gz YAXWPFXMIMXKCR-NSHDSACASA-N 2 2 210.321 0.921 20 0 BCADLP CN(C)c1ncc(C[NH2+]CC2([NH3+])CC2)cn1 ZINC000904451656 637417820 /nfs/dbraw/zinc/41/78/20/637417820.db2.gz YSNIZKDGBNAKQN-UHFFFAOYSA-N 2 2 221.308 0.124 20 0 BCADLP Cn1c[nH+]cc1Cc1noc(CC(C)(C)C[NH3+])n1 ZINC000904646246 637449617 /nfs/dbraw/zinc/44/96/17/637449617.db2.gz JHDPLNQWZRZMOJ-UHFFFAOYSA-N 2 2 249.318 0.921 20 0 BCADLP CC1CCN(C(=[NH2+])NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000905032578 637554306 /nfs/dbraw/zinc/55/43/06/637554306.db2.gz RJZRPHPLYWXFCK-NSHDSACASA-N 2 2 224.352 0.947 20 0 BCADLP CC1CCN(C(=[NH2+])NC[C@@H]2CC[N@H+]2C)CC1 ZINC000905032578 637554310 /nfs/dbraw/zinc/55/43/10/637554310.db2.gz RJZRPHPLYWXFCK-NSHDSACASA-N 2 2 224.352 0.947 20 0 BCADLP C[C@@](O)(C[NH2+][C@H]1CCn2cc[nH+]c2C1)C(F)F ZINC000905216818 637700332 /nfs/dbraw/zinc/70/03/32/637700332.db2.gz HTBYSZILVSWOIY-GZMMTYOYSA-N 2 2 245.273 0.804 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000906095814 638053408 /nfs/dbraw/zinc/05/34/08/638053408.db2.gz ZLPYKNNXBSETET-JGVFFNPUSA-N 2 2 237.307 0.749 20 0 BCADLP COc1c(N)nc[nH+]c1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000906095814 638053413 /nfs/dbraw/zinc/05/34/13/638053413.db2.gz ZLPYKNNXBSETET-JGVFFNPUSA-N 2 2 237.307 0.749 20 0 BCADLP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000911724671 639747544 /nfs/dbraw/zinc/74/75/44/639747544.db2.gz NIAWHJDTJNNACU-MNOVXSKESA-N 2 2 248.330 0.266 20 0 BCADLP C[C@@H]([NH3+])C1CCN(C(=O)C[C@@H]([NH3+])C(F)F)CC1 ZINC000911753041 639781989 /nfs/dbraw/zinc/78/19/89/639781989.db2.gz HZRCCMMEQPZYFF-VXNVDRBHSA-N 2 2 249.305 0.555 20 0 BCADLP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1CCc2c[nH+]cn2C1 ZINC000911752724 639782034 /nfs/dbraw/zinc/78/20/34/639782034.db2.gz XZPGVRZZYFUGNS-QWRGUYRKSA-N 2 2 248.330 0.314 20 0 BCADLP CC(C)[NH2+]CCCNC(=O)C[C@H]([NH3+])C(F)F ZINC000911763586 639790360 /nfs/dbraw/zinc/79/03/60/639790360.db2.gz KSMLFAYUKBQSQF-QMMMGPOBSA-N 2 2 237.294 0.473 20 0 BCADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CC[NH2+]C1 ZINC000911781864 639797756 /nfs/dbraw/zinc/79/77/56/639797756.db2.gz CKIPUXXHMRBWMF-MNOVXSKESA-N 2 2 248.330 0.266 20 0 BCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911781811 639798369 /nfs/dbraw/zinc/79/83/69/639798369.db2.gz AXFHJUUJBGJMRL-ONGXEEELSA-N 2 2 236.319 0.409 20 0 BCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911781811 639798375 /nfs/dbraw/zinc/79/83/75/639798375.db2.gz AXFHJUUJBGJMRL-ONGXEEELSA-N 2 2 236.319 0.409 20 0 BCADLP C[C@H](C[NH3+])N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000911814350 639803884 /nfs/dbraw/zinc/80/38/84/639803884.db2.gz RPSGRBZKMIPKBL-MRVPVSSYSA-N 2 2 232.287 0.982 20 0 BCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[NH2+]1 ZINC000911803820 639826305 /nfs/dbraw/zinc/82/63/05/639826305.db2.gz XVNFEEJZRDSVCY-GMTAPVOTSA-N 2 2 248.330 0.344 20 0 BCADLP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000911810555 639832884 /nfs/dbraw/zinc/83/28/84/639832884.db2.gz NFWGWTYOBDUOIF-OPRDCNLKSA-N 2 2 236.319 0.329 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000911819320 639836525 /nfs/dbraw/zinc/83/65/25/639836525.db2.gz CQCJDKSLNSDRSG-VHSXEESVSA-N 2 2 236.319 0.538 20 0 BCADLP CC(C)[C@H]([NH3+])CNC(=O)C[C@@H]([NH3+])C(F)F ZINC000911823907 639837547 /nfs/dbraw/zinc/83/75/47/639837547.db2.gz AZBJGOGDMXXODW-RNFRBKRXSA-N 2 2 223.267 0.068 20 0 BCADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000911826181 639838188 /nfs/dbraw/zinc/83/81/88/639838188.db2.gz LTMWSCVYIFPMDI-KOLCDFICSA-N 2 2 238.335 0.688 20 0 BCADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000911826181 639838191 /nfs/dbraw/zinc/83/81/91/639838191.db2.gz LTMWSCVYIFPMDI-KOLCDFICSA-N 2 2 238.335 0.688 20 0 BCADLP CO[C@@H]1COC[C@@H]1[NH2+]Cc1[nH]c(C)[nH+]c1C ZINC000930706020 639873258 /nfs/dbraw/zinc/87/32/58/639873258.db2.gz XISVLKYOPGTRHB-WDEREUQCSA-N 2 2 225.292 0.530 20 0 BCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCF ZINC000912388598 640048684 /nfs/dbraw/zinc/04/86/84/640048684.db2.gz YEKBVWUXMQTKMG-UHFFFAOYSA-N 2 2 233.331 0.346 20 0 BCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCF ZINC000912388598 640048691 /nfs/dbraw/zinc/04/86/91/640048691.db2.gz YEKBVWUXMQTKMG-UHFFFAOYSA-N 2 2 233.331 0.346 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC000931276386 640125356 /nfs/dbraw/zinc/12/53/56/640125356.db2.gz HHSOCIFDMAFNFB-MEWQQHAOSA-N 2 2 247.346 0.257 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC000931276386 640125363 /nfs/dbraw/zinc/12/53/63/640125363.db2.gz HHSOCIFDMAFNFB-MEWQQHAOSA-N 2 2 247.346 0.257 20 0 BCADLP CC(C)NC(=O)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931279704 640126659 /nfs/dbraw/zinc/12/66/59/640126659.db2.gz ONMBIFUPAWUKOH-PJXYFTJBSA-N 2 2 239.363 0.393 20 0 BCADLP CC(C)NC(=O)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931279704 640126663 /nfs/dbraw/zinc/12/66/63/640126663.db2.gz ONMBIFUPAWUKOH-PJXYFTJBSA-N 2 2 239.363 0.393 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCO[C@@H]3CCOC3)C[C@H]21 ZINC000931278509 640127713 /nfs/dbraw/zinc/12/77/13/640127713.db2.gz ZCTRWRRNIOZQHF-NDBYEHHHSA-N 2 2 240.347 0.284 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCO[C@@H]3CCOC3)C[C@H]21 ZINC000931278509 640127725 /nfs/dbraw/zinc/12/77/25/640127725.db2.gz ZCTRWRRNIOZQHF-NDBYEHHHSA-N 2 2 240.347 0.284 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)CC(C)(C)O)C[C@H]21 ZINC000931277267 640127930 /nfs/dbraw/zinc/12/79/30/640127930.db2.gz NNGBCRZPXGJFOR-NNYUYHANSA-N 2 2 242.363 0.000 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)CC(C)(C)O)C[C@H]21 ZINC000931277267 640127938 /nfs/dbraw/zinc/12/79/38/640127938.db2.gz NNGBCRZPXGJFOR-NNYUYHANSA-N 2 2 242.363 0.000 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCc3cnccn3)C[C@H]21 ZINC000931277387 640128947 /nfs/dbraw/zinc/12/89/47/640128947.db2.gz OYJZRCJEIDWZLC-ITGUQSILSA-N 2 2 232.331 0.511 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCc3cnccn3)C[C@H]21 ZINC000931277387 640128954 /nfs/dbraw/zinc/12/89/54/640128954.db2.gz OYJZRCJEIDWZLC-ITGUQSILSA-N 2 2 232.331 0.511 20 0 BCADLP C[C@H](c1nncn1C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437110 640201478 /nfs/dbraw/zinc/20/14/78/640201478.db2.gz MZMUKPSIYBNLIV-GRYCIOLGSA-N 2 2 249.362 0.760 20 0 BCADLP C[C@H](c1nncn1C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437110 640201482 /nfs/dbraw/zinc/20/14/82/640201482.db2.gz MZMUKPSIYBNLIV-GRYCIOLGSA-N 2 2 249.362 0.760 20 0 BCADLP C[C@H](c1nncn1C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931437110 640201486 /nfs/dbraw/zinc/20/14/86/640201486.db2.gz MZMUKPSIYBNLIV-GRYCIOLGSA-N 2 2 249.362 0.760 20 0 BCADLP C[C@H](c1nncn1C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931437110 640201494 /nfs/dbraw/zinc/20/14/94/640201494.db2.gz MZMUKPSIYBNLIV-GRYCIOLGSA-N 2 2 249.362 0.760 20 0 BCADLP CC(=O)NCCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931510045 640238396 /nfs/dbraw/zinc/23/83/96/640238396.db2.gz CVYVNDWKIUNAMB-UHFFFAOYSA-N 2 2 248.330 0.548 20 0 BCADLP CC(=O)NCCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931510045 640238400 /nfs/dbraw/zinc/23/84/00/640238400.db2.gz CVYVNDWKIUNAMB-UHFFFAOYSA-N 2 2 248.330 0.548 20 0 BCADLP C[C@@H](O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515241 640240811 /nfs/dbraw/zinc/24/08/11/640240811.db2.gz BSTAIIFMYIDKKS-MRVPVSSYSA-N 2 2 207.277 0.403 20 0 BCADLP C[C@@H](O)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515241 640240821 /nfs/dbraw/zinc/24/08/21/640240821.db2.gz BSTAIIFMYIDKKS-MRVPVSSYSA-N 2 2 207.277 0.403 20 0 BCADLP Cn1cc(CC[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)nn1 ZINC000931718986 640333555 /nfs/dbraw/zinc/33/35/55/640333555.db2.gz YUDKNOSYCBRATJ-QWHCGFSZSA-N 2 2 249.362 0.526 20 0 BCADLP Cn1cc(CC[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)nn1 ZINC000931718986 640333559 /nfs/dbraw/zinc/33/35/59/640333559.db2.gz YUDKNOSYCBRATJ-QWHCGFSZSA-N 2 2 249.362 0.526 20 0 BCADLP Cn1cc(CC[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)nn1 ZINC000931718986 640333563 /nfs/dbraw/zinc/33/35/63/640333563.db2.gz YUDKNOSYCBRATJ-QWHCGFSZSA-N 2 2 249.362 0.526 20 0 BCADLP Cn1cc(CC[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)nn1 ZINC000931718986 640333567 /nfs/dbraw/zinc/33/35/67/640333567.db2.gz YUDKNOSYCBRATJ-QWHCGFSZSA-N 2 2 249.362 0.526 20 0 BCADLP CNC(=O)CC[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931725652 640338799 /nfs/dbraw/zinc/33/87/99/640338799.db2.gz BVLDMDLPSRKLPF-MNOVXSKESA-N 2 2 225.336 0.291 20 0 BCADLP CNC(=O)CC[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931725652 640338802 /nfs/dbraw/zinc/33/88/02/640338802.db2.gz BVLDMDLPSRKLPF-MNOVXSKESA-N 2 2 225.336 0.291 20 0 BCADLP CNC(=O)CC[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931725652 640338805 /nfs/dbraw/zinc/33/88/05/640338805.db2.gz BVLDMDLPSRKLPF-MNOVXSKESA-N 2 2 225.336 0.291 20 0 BCADLP CNC(=O)CC[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931725652 640338811 /nfs/dbraw/zinc/33/88/11/640338811.db2.gz BVLDMDLPSRKLPF-MNOVXSKESA-N 2 2 225.336 0.291 20 0 BCADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc[nH]2)C1 ZINC000054764987 640405842 /nfs/dbraw/zinc/40/58/42/640405842.db2.gz HZXCYGVTDVDLOA-JTQLQIEISA-N 2 2 208.309 0.841 20 0 BCADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc[nH]2)C1 ZINC000054764987 640405847 /nfs/dbraw/zinc/40/58/47/640405847.db2.gz HZXCYGVTDVDLOA-JTQLQIEISA-N 2 2 208.309 0.841 20 0 BCADLP c1cn(CCC[NH2+]Cc2cnc[nH]2)c[nH+]1 ZINC000054763942 640406224 /nfs/dbraw/zinc/40/62/24/640406224.db2.gz YSAUDQMJQIVUAD-UHFFFAOYSA-N 2 2 205.265 0.786 20 0 BCADLP [NH3+][C@@H](CC(=O)NCCc1[nH]cc[nH+]1)C1CC1 ZINC000164185067 640454834 /nfs/dbraw/zinc/45/48/34/640454834.db2.gz AWYYTMANJLEMHD-VIFPVBQESA-N 2 2 222.292 0.196 20 0 BCADLP CC(C)C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000166083244 640613717 /nfs/dbraw/zinc/61/37/17/640613717.db2.gz CNRNPTHIFDFQBD-QWRGUYRKSA-N 2 2 200.326 0.999 20 0 BCADLP CC[C@H]1C(=O)NCCC[N@H+]1CCn1cc[nH+]c1 ZINC000933228584 640687485 /nfs/dbraw/zinc/68/74/85/640687485.db2.gz AJILUQUZSAGZHT-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP CC[C@H]1C(=O)NCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000933228584 640687487 /nfs/dbraw/zinc/68/74/87/640687487.db2.gz AJILUQUZSAGZHT-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP C[NH2+][C@H]1CC[N@H+](CCCCCCO)C1 ZINC000226414273 640758601 /nfs/dbraw/zinc/75/86/01/640758601.db2.gz XYWONPIZKPWWDH-NSHDSACASA-N 2 2 200.326 0.833 20 0 BCADLP C[NH2+][C@H]1CC[N@@H+](CCCCCCO)C1 ZINC000226414273 640758608 /nfs/dbraw/zinc/75/86/08/640758608.db2.gz XYWONPIZKPWWDH-NSHDSACASA-N 2 2 200.326 0.833 20 0 BCADLP Cn1cncc1CC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933734846 640761207 /nfs/dbraw/zinc/76/12/07/640761207.db2.gz XLMQNNGVJVWIOL-OCCSQVGLSA-N 2 2 248.374 0.846 20 0 BCADLP Cn1cncc1CC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933734846 640761212 /nfs/dbraw/zinc/76/12/12/640761212.db2.gz XLMQNNGVJVWIOL-OCCSQVGLSA-N 2 2 248.374 0.846 20 0 BCADLP Cn1cncc1CC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933734846 640761219 /nfs/dbraw/zinc/76/12/19/640761219.db2.gz XLMQNNGVJVWIOL-OCCSQVGLSA-N 2 2 248.374 0.846 20 0 BCADLP Cn1cncc1CC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933734846 640761226 /nfs/dbraw/zinc/76/12/26/640761226.db2.gz XLMQNNGVJVWIOL-OCCSQVGLSA-N 2 2 248.374 0.846 20 0 BCADLP Cn1cc(CC[N@@H+]2CCC[C@@H]2C[NH3+])cn1 ZINC000226425207 640762679 /nfs/dbraw/zinc/76/26/79/640762679.db2.gz SCCCIAMZRNHRFD-LLVKDONJSA-N 2 2 208.309 0.386 20 0 BCADLP Cn1cc(CC[N@H+]2CCC[C@@H]2C[NH3+])cn1 ZINC000226425207 640762683 /nfs/dbraw/zinc/76/26/83/640762683.db2.gz SCCCIAMZRNHRFD-LLVKDONJSA-N 2 2 208.309 0.386 20 0 BCADLP Cc1cnc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cn1 ZINC000061321493 640952376 /nfs/dbraw/zinc/95/23/76/640952376.db2.gz ZQJVTKMLXMTSMT-SKDRFNHKSA-N 2 2 220.320 0.954 20 0 BCADLP Cc1cnc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cn1 ZINC000061321493 640952382 /nfs/dbraw/zinc/95/23/82/640952382.db2.gz ZQJVTKMLXMTSMT-SKDRFNHKSA-N 2 2 220.320 0.954 20 0 BCADLP CNC(=O)[C@]1(C)CC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000230921563 641114290 /nfs/dbraw/zinc/11/42/90/641114290.db2.gz IFGGLHIVSUUUMW-CYBMUJFWSA-N 2 2 241.379 0.833 20 0 BCADLP CNC(=O)[C@]1(C)CC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000230921563 641114293 /nfs/dbraw/zinc/11/42/93/641114293.db2.gz IFGGLHIVSUUUMW-CYBMUJFWSA-N 2 2 241.379 0.833 20 0 BCADLP CC(C)(C)[NH2+]CC[NH2+]C1(CO)CCC1 ZINC000230976752 641120998 /nfs/dbraw/zinc/12/09/98/641120998.db2.gz KRGBIQBRXSTDNR-UHFFFAOYSA-N 2 2 200.326 0.879 20 0 BCADLP C[N@H+](CC[NH3+])C[C@@H](O)CC1CCCC1 ZINC000232148424 641250511 /nfs/dbraw/zinc/25/05/11/641250511.db2.gz QXFUAYSARBIKGQ-NSHDSACASA-N 2 2 200.326 0.818 20 0 BCADLP C[N@@H+](CC[NH3+])C[C@@H](O)CC1CCCC1 ZINC000232148424 641250517 /nfs/dbraw/zinc/25/05/17/641250517.db2.gz QXFUAYSARBIKGQ-NSHDSACASA-N 2 2 200.326 0.818 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001030956804 641522800 /nfs/dbraw/zinc/52/28/00/641522800.db2.gz LILOLYJKHDPAPI-NSHDSACASA-N 2 2 239.363 0.680 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001030956804 641522806 /nfs/dbraw/zinc/52/28/06/641522806.db2.gz LILOLYJKHDPAPI-NSHDSACASA-N 2 2 239.363 0.680 20 0 BCADLP CC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001030963643 641527889 /nfs/dbraw/zinc/52/78/89/641527889.db2.gz PDCFLPTXWMWKOJ-KOLCDFICSA-N 2 2 225.336 0.004 20 0 BCADLP CC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001030963643 641527892 /nfs/dbraw/zinc/52/78/92/641527892.db2.gz PDCFLPTXWMWKOJ-KOLCDFICSA-N 2 2 225.336 0.004 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1COCC1(C)C ZINC000313060697 641531464 /nfs/dbraw/zinc/53/14/64/641531464.db2.gz WFORUPLRHNZDLW-UWVGGRQHSA-N 2 2 200.326 0.951 20 0 BCADLP c1csc(C[NH2+]C[C@H]2C[NH2+]CCO2)c1 ZINC000043802401 641576049 /nfs/dbraw/zinc/57/60/49/641576049.db2.gz JSJUHRQTTVXKQX-SECBINFHSA-N 2 2 212.318 0.826 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](C)CCCc1c[nH+]cn1C ZINC000314862722 641579797 /nfs/dbraw/zinc/57/97/97/641579797.db2.gz JNDIPIDBZDJOLJ-SNVBAGLBSA-N 3 2 210.325 0.632 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000314862722 641579805 /nfs/dbraw/zinc/57/98/05/641579805.db2.gz JNDIPIDBZDJOLJ-SNVBAGLBSA-N 3 2 210.325 0.632 20 0 BCADLP C[N@@H+]1CC[C@H](C(=O)NC2C[NH+](CCCF)C2)C1 ZINC001031386142 642044301 /nfs/dbraw/zinc/04/43/01/642044301.db2.gz YHGWPMYZGVQLMF-JTQLQIEISA-N 2 2 243.326 0.098 20 0 BCADLP C[N@H+]1CC[C@H](C(=O)NC2C[NH+](CCCF)C2)C1 ZINC001031386142 642044305 /nfs/dbraw/zinc/04/43/05/642044305.db2.gz YHGWPMYZGVQLMF-JTQLQIEISA-N 2 2 243.326 0.098 20 0 BCADLP O=C(Cn1cc[nH+]c1)NC1C[NH+](CCC2CC2)C1 ZINC001031476255 642194077 /nfs/dbraw/zinc/19/40/77/642194077.db2.gz DHVBAFIQOZYUEZ-UHFFFAOYSA-N 2 2 248.330 0.484 20 0 BCADLP C[N@H+](CC[NH3+])C[C@@H](O)CC(F)(F)F ZINC000307931430 642347379 /nfs/dbraw/zinc/34/73/79/642347379.db2.gz CBSQHWKXFVJKSM-LURJTMIESA-N 2 2 200.204 0.190 20 0 BCADLP C[N@@H+](CC[NH3+])C[C@@H](O)CC(F)(F)F ZINC000307931430 642347383 /nfs/dbraw/zinc/34/73/83/642347383.db2.gz CBSQHWKXFVJKSM-LURJTMIESA-N 2 2 200.204 0.190 20 0 BCADLP CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001019435601 643034407 /nfs/dbraw/zinc/03/44/07/643034407.db2.gz KDWQNWXSKUFIMU-VIFPVBQESA-N 2 2 222.292 0.163 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]CC2CC2)C1 ZINC001019564634 643040571 /nfs/dbraw/zinc/04/05/71/643040571.db2.gz ZEVIGXGGGRPUGG-NSHDSACASA-N 2 2 248.330 0.553 20 0 BCADLP CC[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000999917081 643743772 /nfs/dbraw/zinc/74/37/72/643743772.db2.gz RSTIGNRRQNQEMS-UHFFFAOYSA-N 2 2 236.319 0.482 20 0 BCADLP C[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)CC[C@@H]1[NH3+] ZINC000086886529 644258174 /nfs/dbraw/zinc/25/81/74/644258174.db2.gz GPHCXKKOGQUHEH-CSMHCCOUSA-N 2 2 226.242 0.579 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)CC[C@@H]1[NH3+] ZINC000086886529 644258178 /nfs/dbraw/zinc/25/81/78/644258178.db2.gz GPHCXKKOGQUHEH-CSMHCCOUSA-N 2 2 226.242 0.579 20 0 BCADLP [NH3+]C[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923280981 644313982 /nfs/dbraw/zinc/31/39/82/644313982.db2.gz MRSRCHYWLLBBEP-NSHDSACASA-N 3 2 211.353 0.799 20 0 BCADLP [NH3+]C[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923280981 644313989 /nfs/dbraw/zinc/31/39/89/644313989.db2.gz MRSRCHYWLLBBEP-NSHDSACASA-N 3 2 211.353 0.799 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@H+](C)[C@@H](C)C[NH3+] ZINC000923291511 644318412 /nfs/dbraw/zinc/31/84/12/644318412.db2.gz SYBZSSHLJLZJAV-WDEREUQCSA-N 2 2 218.341 0.441 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000923291511 644318416 /nfs/dbraw/zinc/31/84/16/644318416.db2.gz SYBZSSHLJLZJAV-WDEREUQCSA-N 2 2 218.341 0.441 20 0 BCADLP COC(=O)c1cncc(C[N@H+](C)CCC[NH3+])c1 ZINC000923290688 644327341 /nfs/dbraw/zinc/32/73/41/644327341.db2.gz JCQDGYBTKULGLM-UHFFFAOYSA-N 2 2 237.303 0.649 20 0 BCADLP COC(=O)c1cncc(C[N@@H+](C)CCC[NH3+])c1 ZINC000923290688 644327352 /nfs/dbraw/zinc/32/73/52/644327352.db2.gz JCQDGYBTKULGLM-UHFFFAOYSA-N 2 2 237.303 0.649 20 0 BCADLP CCOCC[C@H](O)C[N@@H+]1CCC[C@H]1C[NH2+]C ZINC000923295446 644332258 /nfs/dbraw/zinc/33/22/58/644332258.db2.gz WSTCNUNCKRHODE-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP CCOCC[C@H](O)C[N@H+]1CCC[C@H]1C[NH2+]C ZINC000923295446 644332265 /nfs/dbraw/zinc/33/22/65/644332265.db2.gz WSTCNUNCKRHODE-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP CC(=O)N[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923302822 644340642 /nfs/dbraw/zinc/34/06/42/644340642.db2.gz DZAFKNMVRLJHLJ-CYBMUJFWSA-N 2 2 239.363 0.729 20 0 BCADLP CC(=O)N[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923302822 644340646 /nfs/dbraw/zinc/34/06/46/644340646.db2.gz DZAFKNMVRLJHLJ-CYBMUJFWSA-N 2 2 239.363 0.729 20 0 BCADLP C[N@H+](CCC[NH2+]C1CC1)[C@H]1CCCCNC1=O ZINC000923310417 644347023 /nfs/dbraw/zinc/34/70/23/644347023.db2.gz GVEKAXPTOOPRFY-LBPRGKRZSA-N 2 2 239.363 0.729 20 0 BCADLP C[N@@H+](CCC[NH2+]C1CC1)[C@H]1CCCCNC1=O ZINC000923310417 644347031 /nfs/dbraw/zinc/34/70/31/644347031.db2.gz GVEKAXPTOOPRFY-LBPRGKRZSA-N 2 2 239.363 0.729 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923325403 644351939 /nfs/dbraw/zinc/35/19/39/644351939.db2.gz DGKBJRDKNPNCDG-VOAKCMCISA-N 3 2 241.379 0.111 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923325403 644351943 /nfs/dbraw/zinc/35/19/43/644351943.db2.gz DGKBJRDKNPNCDG-VOAKCMCISA-N 3 2 241.379 0.111 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923325403 644351948 /nfs/dbraw/zinc/35/19/48/644351948.db2.gz DGKBJRDKNPNCDG-VOAKCMCISA-N 3 2 241.379 0.111 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923325403 644351953 /nfs/dbraw/zinc/35/19/53/644351953.db2.gz DGKBJRDKNPNCDG-VOAKCMCISA-N 3 2 241.379 0.111 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923325402 644352724 /nfs/dbraw/zinc/35/27/24/644352724.db2.gz DGKBJRDKNPNCDG-CYDGBPFRSA-N 3 2 241.379 0.111 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923325402 644352726 /nfs/dbraw/zinc/35/27/26/644352726.db2.gz DGKBJRDKNPNCDG-CYDGBPFRSA-N 3 2 241.379 0.111 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923325402 644352732 /nfs/dbraw/zinc/35/27/32/644352732.db2.gz DGKBJRDKNPNCDG-CYDGBPFRSA-N 3 2 241.379 0.111 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923325402 644352734 /nfs/dbraw/zinc/35/27/34/644352734.db2.gz DGKBJRDKNPNCDG-CYDGBPFRSA-N 3 2 241.379 0.111 20 0 BCADLP CSC[C@@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923367295 644377504 /nfs/dbraw/zinc/37/75/04/644377504.db2.gz GEJHMZJBEKMUPM-CIUDSAMLSA-N 2 2 204.339 0.132 20 0 BCADLP CSC[C@@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923367295 644377512 /nfs/dbraw/zinc/37/75/12/644377512.db2.gz GEJHMZJBEKMUPM-CIUDSAMLSA-N 2 2 204.339 0.132 20 0 BCADLP [NH3+]CC(C[NH3+])NCC[C@@H]1CCc2ccccc21 ZINC000923359138 644372717 /nfs/dbraw/zinc/37/27/17/644372717.db2.gz MOXSLBKODFVWOM-LBPRGKRZSA-N 2 2 233.359 0.982 20 0 BCADLP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923369135 644381795 /nfs/dbraw/zinc/38/17/95/644381795.db2.gz WHFXNSASLHOHIE-SRVKXCTJSA-N 2 2 230.352 0.441 20 0 BCADLP CC(C)COC[C@@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923369135 644381801 /nfs/dbraw/zinc/38/18/01/644381801.db2.gz WHFXNSASLHOHIE-SRVKXCTJSA-N 2 2 230.352 0.441 20 0 BCADLP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000923361308 644386656 /nfs/dbraw/zinc/38/66/56/644386656.db2.gz OODILSAWHGDLGM-AGIUHOORSA-N 2 2 242.363 0.456 20 0 BCADLP CC(C)OCC[C@H](O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000923361308 644386661 /nfs/dbraw/zinc/38/66/61/644386661.db2.gz OODILSAWHGDLGM-AGIUHOORSA-N 2 2 242.363 0.456 20 0 BCADLP CCOCCOCC[N@H+](C)C1(C[NH3+])CCC1 ZINC000923363172 644388847 /nfs/dbraw/zinc/38/88/47/644388847.db2.gz VXJRVVNZLAFSDL-UHFFFAOYSA-N 2 2 230.352 0.853 20 0 BCADLP CSC[C@@H](O)C[N@H+](C)C1(C[NH3+])CCC1 ZINC000923362946 644389464 /nfs/dbraw/zinc/38/94/64/644389464.db2.gz RCFKGUKPEDJKTN-VIFPVBQESA-N 2 2 218.366 0.524 20 0 BCADLP CSC[C@@H](O)C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000923362946 644389469 /nfs/dbraw/zinc/38/94/69/644389469.db2.gz RCFKGUKPEDJKTN-VIFPVBQESA-N 2 2 218.366 0.524 20 0 BCADLP CCOCC[C@H](O)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000923391615 644395716 /nfs/dbraw/zinc/39/57/16/644395716.db2.gz NLLIFCWXNOXZKL-CXQJBGSLSA-N 2 2 228.336 0.197 20 0 BCADLP CCOCC[C@H](O)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000923391615 644395720 /nfs/dbraw/zinc/39/57/20/644395720.db2.gz NLLIFCWXNOXZKL-CXQJBGSLSA-N 2 2 228.336 0.197 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923393460 644402599 /nfs/dbraw/zinc/40/25/99/644402599.db2.gz QWLUHSJGCOTODA-WDEREUQCSA-N 3 2 211.353 0.940 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC[NH2+]C1CC1 ZINC000923393460 644402605 /nfs/dbraw/zinc/40/26/05/644402605.db2.gz QWLUHSJGCOTODA-WDEREUQCSA-N 3 2 211.353 0.940 20 0 BCADLP C(CO[C@H]1CCOC1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923399084 644404941 /nfs/dbraw/zinc/40/49/41/644404941.db2.gz NXMLSTBEAZYFSR-NWDGAFQWSA-N 2 2 240.347 0.666 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCO[C@H]1CCOC1)C2 ZINC000923399373 644405191 /nfs/dbraw/zinc/40/51/91/644405191.db2.gz QZJZMUICRWNCIW-AGIUHOORSA-N 2 2 240.347 0.605 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCO[C@H]1CCOC1)C2 ZINC000923399373 644405192 /nfs/dbraw/zinc/40/51/92/644405192.db2.gz QZJZMUICRWNCIW-AGIUHOORSA-N 2 2 240.347 0.605 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000923410184 644410490 /nfs/dbraw/zinc/41/04/90/644410490.db2.gz KXYAWBDBCHZKOG-YPMHNXCESA-N 2 2 222.332 0.869 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000923410184 644410496 /nfs/dbraw/zinc/41/04/96/644410496.db2.gz KXYAWBDBCHZKOG-YPMHNXCESA-N 2 2 222.332 0.869 20 0 BCADLP CO[C@@H]1C[N@H+](C[C@@H](O)CSC)[C@](C)(C[NH3+])C1 ZINC000923412170 644414018 /nfs/dbraw/zinc/41/40/18/644414018.db2.gz PSWBVJTUWOICFV-VWYCJHECSA-N 2 2 248.392 0.148 20 0 BCADLP CO[C@@H]1C[N@@H+](C[C@@H](O)CSC)[C@](C)(C[NH3+])C1 ZINC000923412170 644414020 /nfs/dbraw/zinc/41/40/20/644414020.db2.gz PSWBVJTUWOICFV-VWYCJHECSA-N 2 2 248.392 0.148 20 0 BCADLP CCOCCOCC[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000923411529 644414132 /nfs/dbraw/zinc/41/41/32/644414132.db2.gz CMWJFKGAEUOBEY-GHMZBOCLSA-N 2 2 216.325 0.461 20 0 BCADLP CCOCCOCC[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000923411529 644414134 /nfs/dbraw/zinc/41/41/34/644414134.db2.gz CMWJFKGAEUOBEY-GHMZBOCLSA-N 2 2 216.325 0.461 20 0 BCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000923411243 644414796 /nfs/dbraw/zinc/41/47/96/644414796.db2.gz AXANPBVPYAUMAE-SDDRHHMPSA-N 2 2 230.352 0.441 20 0 BCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000923411243 644414802 /nfs/dbraw/zinc/41/48/02/644414802.db2.gz AXANPBVPYAUMAE-SDDRHHMPSA-N 2 2 230.352 0.441 20 0 BCADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@@H](O)CSC ZINC000923429822 644422337 /nfs/dbraw/zinc/42/23/37/644422337.db2.gz FLPGAILYMWFYHA-WDEREUQCSA-N 2 2 232.393 0.784 20 0 BCADLP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@@H](O)CSC ZINC000923429822 644422340 /nfs/dbraw/zinc/42/23/40/644422340.db2.gz FLPGAILYMWFYHA-WDEREUQCSA-N 2 2 232.393 0.784 20 0 BCADLP CCOCC[C@@H](O)C[N@H+](CC)[C@@H]1CC[NH2+]C1 ZINC000923426593 644422690 /nfs/dbraw/zinc/42/26/90/644422690.db2.gz TYBOYYWIUDUHBH-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP CCOCC[C@@H](O)C[N@@H+](CC)[C@@H]1CC[NH2+]C1 ZINC000923426593 644422694 /nfs/dbraw/zinc/42/26/94/644422694.db2.gz TYBOYYWIUDUHBH-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP CSC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000923430938 644423790 /nfs/dbraw/zinc/42/37/90/644423790.db2.gz PMPKMXPTJUHKGO-BDAKNGLRSA-N 2 2 218.366 0.379 20 0 BCADLP CSC[C@H](O)C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000923430938 644423799 /nfs/dbraw/zinc/42/37/99/644423799.db2.gz PMPKMXPTJUHKGO-BDAKNGLRSA-N 2 2 218.366 0.379 20 0 BCADLP CCOCC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000923432021 644424409 /nfs/dbraw/zinc/42/44/09/644424409.db2.gz ZSURKMWIXDHLGO-WDEREUQCSA-N 2 2 230.352 0.443 20 0 BCADLP CCOCC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000923432021 644424414 /nfs/dbraw/zinc/42/44/14/644424414.db2.gz ZSURKMWIXDHLGO-WDEREUQCSA-N 2 2 230.352 0.443 20 0 BCADLP CCOCC[C@@H](O)C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000923432019 644424512 /nfs/dbraw/zinc/42/45/12/644424512.db2.gz ZSURKMWIXDHLGO-MNOVXSKESA-N 2 2 230.352 0.443 20 0 BCADLP CCOCC[C@@H](O)C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000923432019 644424515 /nfs/dbraw/zinc/42/45/15/644424515.db2.gz ZSURKMWIXDHLGO-MNOVXSKESA-N 2 2 230.352 0.443 20 0 BCADLP C[NH2+]CC[N@H+](C[C@H](O)COCC(C)C)C(C)C ZINC000923432547 644426994 /nfs/dbraw/zinc/42/69/94/644426994.db2.gz FKCKKUSXQIQWPV-ZDUSSCGKSA-N 2 2 246.395 0.950 20 0 BCADLP C[NH2+]CC[N@@H+](C[C@H](O)COCC(C)C)C(C)C ZINC000923432547 644426997 /nfs/dbraw/zinc/42/69/97/644426997.db2.gz FKCKKUSXQIQWPV-ZDUSSCGKSA-N 2 2 246.395 0.950 20 0 BCADLP CO[C@H](C[N@@H+]1CCNCC[NH2+]CC1)C1CCC1 ZINC000923459766 644434966 /nfs/dbraw/zinc/43/49/66/644434966.db2.gz FTDUDRKXLIDMIC-CYBMUJFWSA-N 2 2 241.379 0.296 20 0 BCADLP CO[C@H](C[N@H+]1CCNCC[NH2+]CC1)C1CCC1 ZINC000923459766 644434973 /nfs/dbraw/zinc/43/49/73/644434973.db2.gz FTDUDRKXLIDMIC-CYBMUJFWSA-N 2 2 241.379 0.296 20 0 BCADLP CO[C@H](CN1CC[NH2+]CC[NH2+]CC1)C1CCC1 ZINC000923459766 644434974 /nfs/dbraw/zinc/43/49/74/644434974.db2.gz FTDUDRKXLIDMIC-CYBMUJFWSA-N 2 2 241.379 0.296 20 0 BCADLP COC[C@@H](CN1CC[NH2+]CC[NH2+]CC1)C(C)C ZINC000923460258 644438319 /nfs/dbraw/zinc/43/83/19/644438319.db2.gz LUVKZPICHUPXGZ-CYBMUJFWSA-N 2 2 243.395 0.400 20 0 BCADLP C=C/C=C\CC[N@@H+]1CCNCC[NH2+]CC1 ZINC000923460774 644445224 /nfs/dbraw/zinc/44/52/24/644445224.db2.gz QURCDVKHNVDNDE-ARJAWSKDSA-N 2 2 209.337 0.614 20 0 BCADLP C=C/C=C\CC[N@H+]1CCNCC[NH2+]CC1 ZINC000923460774 644445227 /nfs/dbraw/zinc/44/52/27/644445227.db2.gz QURCDVKHNVDNDE-ARJAWSKDSA-N 2 2 209.337 0.614 20 0 BCADLP C=C/C=C\CCN1CC[NH2+]CC[NH2+]CC1 ZINC000923460774 644445229 /nfs/dbraw/zinc/44/52/29/644445229.db2.gz QURCDVKHNVDNDE-ARJAWSKDSA-N 2 2 209.337 0.614 20 0 BCADLP CCOC(=O)[C@@H](CC)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516458 644481410 /nfs/dbraw/zinc/48/14/10/644481410.db2.gz GFHYJYDECKGOFS-QJPTWQEYSA-N 2 2 240.347 0.869 20 0 BCADLP CCOC(=O)[C@@H](CC)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516458 644481414 /nfs/dbraw/zinc/48/14/14/644481414.db2.gz GFHYJYDECKGOFS-QJPTWQEYSA-N 2 2 240.347 0.869 20 0 BCADLP CCOC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923529551 644484438 /nfs/dbraw/zinc/48/44/38/644484438.db2.gz AASDQJRYJVUXDT-QWHCGFSZSA-N 2 2 242.363 0.602 20 0 BCADLP CCOC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923529551 644484439 /nfs/dbraw/zinc/48/44/39/644484439.db2.gz AASDQJRYJVUXDT-QWHCGFSZSA-N 2 2 242.363 0.602 20 0 BCADLP COC[C@@H]1COCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000923555574 644496843 /nfs/dbraw/zinc/49/68/43/644496843.db2.gz BSANFOUGLKIIAC-GRYCIOLGSA-N 2 2 228.336 0.189 20 0 BCADLP COC[C@@H]1COCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000923555574 644496847 /nfs/dbraw/zinc/49/68/47/644496847.db2.gz BSANFOUGLKIIAC-GRYCIOLGSA-N 2 2 228.336 0.189 20 0 BCADLP CCOC[C@@H](O)C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000250479465 644760282 /nfs/dbraw/zinc/76/02/82/644760282.db2.gz FNRNATYARNXADZ-QWRGUYRKSA-N 2 2 216.325 0.197 20 0 BCADLP CCOC[C@@H](O)C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000250479465 644760286 /nfs/dbraw/zinc/76/02/86/644760286.db2.gz FNRNATYARNXADZ-QWRGUYRKSA-N 2 2 216.325 0.197 20 0 BCADLP C[N@H+](CC(F)F)C1CCN(C(=O)C[NH3+])CC1 ZINC000844187093 645315862 /nfs/dbraw/zinc/31/58/62/645315862.db2.gz ANOOOGISNPJKCY-UHFFFAOYSA-N 2 2 235.278 0.133 20 0 BCADLP C[N@@H+](CC(F)F)C1CCN(C(=O)C[NH3+])CC1 ZINC000844187093 645315869 /nfs/dbraw/zinc/31/58/69/645315869.db2.gz ANOOOGISNPJKCY-UHFFFAOYSA-N 2 2 235.278 0.133 20 0 BCADLP CCn1nc(C)c(C[NH2+]CCc2c[nH+]cn2C)n1 ZINC000857782944 645667235 /nfs/dbraw/zinc/66/72/35/645667235.db2.gz KWBKCIMHUVBFJK-UHFFFAOYSA-N 2 2 248.334 0.672 20 0 BCADLP C[N@@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000928562924 645825283 /nfs/dbraw/zinc/82/52/83/645825283.db2.gz LUHRTSQHACHSMV-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP C[N@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000928562924 645825285 /nfs/dbraw/zinc/82/52/85/645825285.db2.gz LUHRTSQHACHSMV-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[NH3+])c[nH+]1 ZINC000884269697 645871783 /nfs/dbraw/zinc/87/17/83/645871783.db2.gz UXGQGCIVTBDZMK-QMMMGPOBSA-N 2 2 224.308 0.390 20 0 BCADLP CCc1ncc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000929311379 646074272 /nfs/dbraw/zinc/07/42/72/646074272.db2.gz CKECUZNZWPCMND-UWVGGRQHSA-N 2 2 221.304 0.888 20 0 BCADLP CC[C@H](C)[C@H](C(=O)OC)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000929312879 646074393 /nfs/dbraw/zinc/07/43/93/646074393.db2.gz NVHFYTCNQAJVMQ-NNYUYHANSA-N 2 2 240.347 0.725 20 0 BCADLP CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000929312879 646074401 /nfs/dbraw/zinc/07/44/01/646074401.db2.gz NVHFYTCNQAJVMQ-NNYUYHANSA-N 2 2 240.347 0.725 20 0 BCADLP CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000724878868 711526878 /nfs/dbraw/zinc/52/68/78/711526878.db2.gz YRHRZWGLZILZGI-IRCOFANPSA-N 2 2 228.336 0.520 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cnnn1C ZINC000924650858 646085930 /nfs/dbraw/zinc/08/59/30/646085930.db2.gz ZFNBTEDKYPNBEF-UWVGGRQHSA-N 2 2 234.307 0.751 20 0 BCADLP C[C@H](CO)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924752901 646099379 /nfs/dbraw/zinc/09/93/79/646099379.db2.gz IEXAJZRIPZNLJM-IJLUTSLNSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@H](CO)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924752901 646099385 /nfs/dbraw/zinc/09/93/85/646099385.db2.gz IEXAJZRIPZNLJM-IJLUTSLNSA-N 2 2 212.337 0.974 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC000925499508 646304313 /nfs/dbraw/zinc/30/43/13/646304313.db2.gz ZPVCCKDQOSZVHP-VXGBXAGGSA-N 2 2 242.363 0.912 20 0 BCADLP CC(C)C[C@H](CCO)C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925525410 646312367 /nfs/dbraw/zinc/31/23/67/646312367.db2.gz COMLURRRINTFAA-QWHCGFSZSA-N 2 2 244.379 0.609 20 0 BCADLP Cn1cc([C@H](O)C[NH2+][C@H]2CC[NH2+]C2(C)C)cn1 ZINC000925517316 646313301 /nfs/dbraw/zinc/31/33/01/646313301.db2.gz NNGLRQNJNVZISP-MNOVXSKESA-N 2 2 238.335 0.184 20 0 BCADLP CS[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925524813 646314246 /nfs/dbraw/zinc/31/42/46/646314246.db2.gz ZWVWSLYBKUCBDY-GMTAPVOTSA-N 2 2 230.377 0.849 20 0 BCADLP C[C@@]1(C[NH2+][C@H]2C[NH2+]CCOC2)CCCS1 ZINC000925553799 646330917 /nfs/dbraw/zinc/33/09/17/646330917.db2.gz VXUBXFCWAZKSRX-QWRGUYRKSA-N 2 2 230.377 0.850 20 0 BCADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CCOC1)C1CCOCC1 ZINC000925562781 646334933 /nfs/dbraw/zinc/33/49/33/646334933.db2.gz YDHIICWNNJPGIO-ZYHUDNBSSA-N 2 2 228.336 0.380 20 0 BCADLP C[C@@H]([NH2+][C@H]1C[NH2+]CCOC1)C1CCOCC1 ZINC000925562780 646336118 /nfs/dbraw/zinc/33/61/18/646336118.db2.gz YDHIICWNNJPGIO-PWSUYJOCSA-N 2 2 228.336 0.380 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000925575364 646341965 /nfs/dbraw/zinc/34/19/65/646341965.db2.gz GDHNGXZPCWQFFB-HOSYDEDBSA-N 2 2 237.347 0.480 20 0 BCADLP CCc1nc(CC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)no1 ZINC000925590231 646348942 /nfs/dbraw/zinc/34/89/42/646348942.db2.gz OWKMNXZMPAFHDX-NXEZZACHSA-N 2 2 238.335 0.905 20 0 BCADLP CC(C)NC(=O)CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925595890 646350670 /nfs/dbraw/zinc/35/06/70/646350670.db2.gz UANQAIJFMRGXOG-LLVKDONJSA-N 2 2 239.363 0.775 20 0 BCADLP OC[C@H]1CC[C@@H]([NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925607670 646357518 /nfs/dbraw/zinc/35/75/18/646357518.db2.gz QLNWTRSGYYOZGH-TUAOUCFPSA-N 2 2 228.336 0.116 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000925613143 646362532 /nfs/dbraw/zinc/36/25/32/646362532.db2.gz AMAIEUCBDONOTA-KXNHARMFSA-N 2 2 210.321 0.654 20 0 BCADLP OC[C@H]1C=C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925613869 646362932 /nfs/dbraw/zinc/36/29/32/646362932.db2.gz FQGJPXZJYVCLJR-QJPTWQEYSA-N 2 2 222.332 0.798 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H](O)C1CCOCC1 ZINC000925617997 646365537 /nfs/dbraw/zinc/36/55/37/646365537.db2.gz FDUXLCDBXLHVBZ-UHTWSYAYSA-N 2 2 242.363 0.504 20 0 BCADLP CC(C)(CCCO)C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925617984 646365698 /nfs/dbraw/zinc/36/56/98/646365698.db2.gz YRNLYIMIRMTFNW-NSHDSACASA-N 2 2 230.352 0.363 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CCOC2)C[C@H](C)O1 ZINC000925632718 646376763 /nfs/dbraw/zinc/37/67/63/646376763.db2.gz XWWDQPBHXDHFTK-WRWGMCAJSA-N 2 2 228.336 0.520 20 0 BCADLP COC[C@@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)OC ZINC000925633412 646377894 /nfs/dbraw/zinc/37/78/94/646377894.db2.gz VZGIJTGJCIPNAY-NXEZZACHSA-N 2 2 216.325 0.378 20 0 BCADLP C([NH2+][C@H]1C[NH2+]CCOC1)[C@@H]1CCSC1 ZINC000925651894 646391877 /nfs/dbraw/zinc/39/18/77/646391877.db2.gz BTCGKJSNWASSEG-UWVGGRQHSA-N 2 2 216.350 0.318 20 0 BCADLP C[C@@H]1COCC[C@H]1C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925669827 646399657 /nfs/dbraw/zinc/39/96/57/646399657.db2.gz FTZAVASFGYDNTB-GRYCIOLGSA-N 2 2 228.336 0.237 20 0 BCADLP Cn1c[nH+]cc1CN[C@H]1CC[NH2+]C1(C)C ZINC000925669597 646400214 /nfs/dbraw/zinc/40/02/14/646400214.db2.gz WDRWZZBKNVSQHY-JTQLQIEISA-N 2 2 208.309 0.650 20 0 BCADLP C([NH2+][C@@H]1C[NH2+]CCOC1)[C@@H]1CCCSC1 ZINC000925673730 646402382 /nfs/dbraw/zinc/40/23/82/646402382.db2.gz PFFFEBKFCWOCFN-WDEREUQCSA-N 2 2 230.377 0.708 20 0 BCADLP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925687437 646414960 /nfs/dbraw/zinc/41/49/60/646414960.db2.gz BCBVBYZJUFPIJB-TUAOUCFPSA-N 2 2 212.337 0.857 20 0 BCADLP COCC1CCC([NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925690610 646416658 /nfs/dbraw/zinc/41/66/58/646416658.db2.gz MONKJNHRXRQWJK-WXRRBKDZSA-N 2 2 242.363 0.770 20 0 BCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925693544 646420233 /nfs/dbraw/zinc/42/02/33/646420233.db2.gz SHXOQOPYHRNULB-WDEREUQCSA-N 2 2 248.392 0.541 20 0 BCADLP C[C@@H]([NH2+][C@H]1C[NH2+]CCOC1)C(C)(C)C ZINC000925704575 646429196 /nfs/dbraw/zinc/42/91/96/646429196.db2.gz YUOKIEZZVLAOJI-ZJUUUORDSA-N 2 2 200.326 0.999 20 0 BCADLP CC[C@@H]1C[C@@H]([NH2+][C@H]2C[NH2+]CCOC2)CCO1 ZINC000925704869 646429651 /nfs/dbraw/zinc/42/96/51/646429651.db2.gz HOUQTZKYJNGDKM-SDDRHHMPSA-N 2 2 228.336 0.522 20 0 BCADLP [NH3+][C@@H]1C[C@@H]([NH2+]CCC[NH2+]C2CC2)C12CCC2 ZINC000925711442 646435695 /nfs/dbraw/zinc/43/56/95/646435695.db2.gz ZDGVWUWIVYCDOU-VXGBXAGGSA-N 3 2 223.364 0.988 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000925711811 646436287 /nfs/dbraw/zinc/43/62/87/646436287.db2.gz RZRCHZLEAOFVSQ-HBNTYKKESA-N 3 2 247.333 0.961 20 0 BCADLP [NH3+][C@H]1C[C@@H]([NH2+]CCC[NH2+]C2CC2)C12CCC2 ZINC000925711439 646436662 /nfs/dbraw/zinc/43/66/62/646436662.db2.gz ZDGVWUWIVYCDOU-NWDGAFQWSA-N 3 2 223.364 0.988 20 0 BCADLP COC(=O)N(C)CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925717591 646442570 /nfs/dbraw/zinc/44/25/70/646442570.db2.gz UPUTYAWTQKDAFU-SNVBAGLBSA-N 2 2 241.335 0.559 20 0 BCADLP C(C[C@H]1CCCS1)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925723464 646448680 /nfs/dbraw/zinc/44/86/80/646448680.db2.gz VXOVCTHCOPVQEW-WDEREUQCSA-N 2 2 230.377 0.850 20 0 BCADLP CC(C)([NH3+])CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925738391 646460594 /nfs/dbraw/zinc/46/05/94/646460594.db2.gz TUFVGSBDKDCUAL-VHSXEESVSA-N 3 2 211.353 0.973 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925775442 646474673 /nfs/dbraw/zinc/47/46/73/646474673.db2.gz GSQCQIPBGQLRHA-GARJFASQSA-N 3 2 247.333 0.948 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925775443 646476007 /nfs/dbraw/zinc/47/60/07/646476007.db2.gz GSQCQIPBGQLRHA-HBNTYKKESA-N 3 2 247.333 0.948 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1nccn1C ZINC000925793246 646485184 /nfs/dbraw/zinc/48/51/84/646485184.db2.gz XRVUJBJAQCKEEW-VWYCJHECSA-N 2 2 222.336 0.926 20 0 BCADLP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)[C@H]1CCC[NH2+]1 ZINC000925816406 646492028 /nfs/dbraw/zinc/49/20/28/646492028.db2.gz GOCCUGIWBBLLIG-WCQYABFASA-N 3 2 240.395 0.140 20 0 BCADLP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000925816404 646492351 /nfs/dbraw/zinc/49/23/51/646492351.db2.gz GOCCUGIWBBLLIG-AAEUAGOBSA-N 3 2 240.395 0.140 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817908 646493567 /nfs/dbraw/zinc/49/35/67/646493567.db2.gz XLEAWOICYNQXQB-LBPRGKRZSA-N 3 2 240.395 0.140 20 0 BCADLP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925829860 646499403 /nfs/dbraw/zinc/49/94/03/646499403.db2.gz AHLUVFSPCANKJG-XHNCKOQMSA-N 2 2 238.253 0.763 20 0 BCADLP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1cn(C)nn1 ZINC000925828159 646499777 /nfs/dbraw/zinc/49/97/77/646499777.db2.gz VGHXLRYTQUDTET-YIZRAAEISA-N 2 2 211.313 0.592 20 0 BCADLP Cc1cc(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)nn1C ZINC000925834691 646502884 /nfs/dbraw/zinc/50/28/84/646502884.db2.gz NWUVNYVZGAZKLD-ZWNOBZJWSA-N 2 2 236.363 0.859 20 0 BCADLP C([NH2+][C@H]1C[NH2+]CCOC1)[C@]12CCC[C@H]1OCC2 ZINC000925834906 646503618 /nfs/dbraw/zinc/50/36/18/646503618.db2.gz ZWLPRBKNLOMKMW-YNEHKIRRSA-N 2 2 240.347 0.524 20 0 BCADLP CCO[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)C[NH+](C)C ZINC000925838275 646504935 /nfs/dbraw/zinc/50/49/35/646504935.db2.gz KYADGUOGAQERBJ-OLZOCXBDSA-N 3 2 243.395 0.685 20 0 BCADLP C(CC[NH2+][C@@H]1CC[NH2+]C1)CCN1CC[NH2+]CC1 ZINC000925840702 646505716 /nfs/dbraw/zinc/50/57/16/646505716.db2.gz KMPGKCTZVJFTJK-CYBMUJFWSA-N 3 2 240.395 0.013 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CCOC2)CCS1 ZINC000925860701 646514154 /nfs/dbraw/zinc/51/41/54/646514154.db2.gz JTHGOIZYHGCRDH-MXWKQRLJSA-N 2 2 230.377 0.849 20 0 BCADLP CCOCCOCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925874824 646525323 /nfs/dbraw/zinc/52/53/23/646525323.db2.gz NZYGICVFEFMPFI-NSHDSACASA-N 2 2 230.352 0.770 20 0 BCADLP CCOCCOCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925874823 646525654 /nfs/dbraw/zinc/52/56/54/646525654.db2.gz NZYGICVFEFMPFI-LLVKDONJSA-N 2 2 230.352 0.770 20 0 BCADLP COC[C@@H](C[NH2+][C@H]1C[NH2+]CCOC1)C(C)C ZINC000925874513 646525881 /nfs/dbraw/zinc/52/58/81/646525881.db2.gz SHVZXTSJNPJGPW-NEPJUHHUSA-N 2 2 230.352 0.483 20 0 BCADLP CCOCCOCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000925876232 646526647 /nfs/dbraw/zinc/52/66/47/646526647.db2.gz ZMQKIQYSKZVBNY-NWDGAFQWSA-N 2 2 230.352 0.627 20 0 BCADLP Cc1ccc(NCC[NH2+][C@H]2CC[NH2+]C2)nc1 ZINC000925878377 646527009 /nfs/dbraw/zinc/52/70/09/646527009.db2.gz UDGDYZUZEDBEDQ-NSHDSACASA-N 2 2 220.320 0.753 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H](O)c1ccnn1C ZINC000925891144 646533596 /nfs/dbraw/zinc/53/35/96/646533596.db2.gz SRCKJZFYRISOMR-CKYFFXLPSA-N 2 2 238.335 0.041 20 0 BCADLP CC1(C)CNC(=O)[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000926230279 646600038 /nfs/dbraw/zinc/60/00/38/646600038.db2.gz RTDUFDPXTAXDBE-MWLCHTKSSA-N 2 2 248.330 0.312 20 0 BCADLP CC1(C)CNC(=O)[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000926230281 646600237 /nfs/dbraw/zinc/60/02/37/646600237.db2.gz RTDUFDPXTAXDBE-ONGXEEELSA-N 2 2 248.330 0.312 20 0 BCADLP CC1(C)CNC(=O)[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000926230275 646600678 /nfs/dbraw/zinc/60/06/78/646600678.db2.gz RTDUFDPXTAXDBE-GXSJLCMTSA-N 2 2 248.330 0.312 20 0 BCADLP COC[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926372099 646628885 /nfs/dbraw/zinc/62/88/85/646628885.db2.gz FMIVOLKIJUSXAN-YNEHKIRRSA-N 2 2 242.363 0.600 20 0 BCADLP COC[C@@H](O)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926372099 646628887 /nfs/dbraw/zinc/62/88/87/646628887.db2.gz FMIVOLKIJUSXAN-YNEHKIRRSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cnn(C)n1 ZINC000926449791 646641935 /nfs/dbraw/zinc/64/19/35/646641935.db2.gz IDOOLSHFUFWLRV-BDAKNGLRSA-N 2 2 246.318 0.746 20 0 BCADLP Cc1nc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)no1 ZINC000723691132 711533892 /nfs/dbraw/zinc/53/38/92/711533892.db2.gz IIIQCVBAZRSPRA-SECBINFHSA-N 2 2 210.281 0.549 20 0 BCADLP Cc1nc(C[N@H+]2CC[C@@H](CC[NH3+])C2)no1 ZINC000723691132 711533894 /nfs/dbraw/zinc/53/38/94/711533894.db2.gz IIIQCVBAZRSPRA-SECBINFHSA-N 2 2 210.281 0.549 20 0 BCADLP C[C@H](CCO)[NH2+]CC1([NH+](C)C)CCC1 ZINC000308661109 711542927 /nfs/dbraw/zinc/54/29/27/711542927.db2.gz PYMZDFSBENJBRJ-SNVBAGLBSA-N 2 2 200.326 0.831 20 0 BCADLP C[C@@H](CCO)[NH2+]CC1([NH+](C)C)CCC1 ZINC000308661107 711542959 /nfs/dbraw/zinc/54/29/59/711542959.db2.gz PYMZDFSBENJBRJ-JTQLQIEISA-N 2 2 200.326 0.831 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC[C@H]1OC ZINC000724190956 711568268 /nfs/dbraw/zinc/56/82/68/711568268.db2.gz BNIQROODYMKUSH-SDDRHHMPSA-N 2 2 230.352 0.408 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC[C@H]1OC ZINC000724190956 711568270 /nfs/dbraw/zinc/56/82/70/711568270.db2.gz BNIQROODYMKUSH-SDDRHHMPSA-N 2 2 230.352 0.408 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CC[C@H]1OC ZINC000724190956 711568273 /nfs/dbraw/zinc/56/82/73/711568273.db2.gz BNIQROODYMKUSH-SDDRHHMPSA-N 2 2 230.352 0.408 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CC[C@H]1OC ZINC000724190956 711568276 /nfs/dbraw/zinc/56/82/76/711568276.db2.gz BNIQROODYMKUSH-SDDRHHMPSA-N 2 2 230.352 0.408 20 0 BCADLP [NH3+][C@@H](CC(=O)NC1CCC([NH3+])CC1)C(F)F ZINC000724755014 711610831 /nfs/dbraw/zinc/61/08/31/711610831.db2.gz KJUAYQTZEAHMBV-RRQHEKLDSA-N 2 2 235.278 0.355 20 0 BCADLP CC[N@H+](CC[NH3+])CCO[C@@H]1CCOC1 ZINC000724911799 711627048 /nfs/dbraw/zinc/62/70/48/711627048.db2.gz ABMBXQGYLLCQAN-SNVBAGLBSA-N 2 2 202.298 0.073 20 0 BCADLP CC[N@@H+](CC[NH3+])CCO[C@@H]1CCOC1 ZINC000724911799 711627051 /nfs/dbraw/zinc/62/70/51/711627051.db2.gz ABMBXQGYLLCQAN-SNVBAGLBSA-N 2 2 202.298 0.073 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000925875592 711761572 /nfs/dbraw/zinc/76/15/72/711761572.db2.gz VCPSDINWZZFJAJ-SRVKXCTJSA-N 2 2 228.336 0.522 20 0 BCADLP C[C@H]([NH2+]CCO[C@@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000925875601 711761625 /nfs/dbraw/zinc/76/16/25/711761625.db2.gz VDAWFQCAPFRWDJ-YNEHKIRRSA-N 2 2 242.363 0.912 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1COCCN1C ZINC000700176852 711987422 /nfs/dbraw/zinc/98/74/22/711987422.db2.gz OMRDJFDCQBAIFA-TUAOUCFPSA-N 2 2 227.352 0.047 20 0 BCADLP CC(C)[NH+]1CCC([NH2+][C@H]2CNOC2)CC1 ZINC000703349098 712072611 /nfs/dbraw/zinc/07/26/11/712072611.db2.gz HGMVHSGNQMKZGF-NSHDSACASA-N 2 2 213.325 0.352 20 0 BCADLP Cn1c[nH+]cc1CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703560463 712080285 /nfs/dbraw/zinc/08/02/85/712080285.db2.gz CCDDEFORIUYTOB-CMPLNLGQSA-N 2 2 220.320 0.461 20 0 BCADLP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)on1 ZINC000705581369 712133319 /nfs/dbraw/zinc/13/33/19/712133319.db2.gz HLXACRYDLHVRAN-VIFPVBQESA-N 2 2 225.292 0.854 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CF)C1 ZINC000711449831 712301512 /nfs/dbraw/zinc/30/15/12/712301512.db2.gz HRAVPQRIPHQXKL-RYUDHWBXSA-N 2 2 232.343 0.981 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CF)C1 ZINC000711449831 712301515 /nfs/dbraw/zinc/30/15/15/712301515.db2.gz HRAVPQRIPHQXKL-RYUDHWBXSA-N 2 2 232.343 0.981 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711449831 712301516 /nfs/dbraw/zinc/30/15/16/712301516.db2.gz HRAVPQRIPHQXKL-RYUDHWBXSA-N 2 2 232.343 0.981 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000711449831 712301518 /nfs/dbraw/zinc/30/15/18/712301518.db2.gz HRAVPQRIPHQXKL-RYUDHWBXSA-N 2 2 232.343 0.981 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CF)C1 ZINC000711466092 712302472 /nfs/dbraw/zinc/30/24/72/712302472.db2.gz DPOYWZRNUVWNNK-NWDGAFQWSA-N 2 2 248.342 0.217 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CF)C1 ZINC000711466092 712302473 /nfs/dbraw/zinc/30/24/73/712302473.db2.gz DPOYWZRNUVWNNK-NWDGAFQWSA-N 2 2 248.342 0.217 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](CF)C1 ZINC000711466092 712302474 /nfs/dbraw/zinc/30/24/74/712302474.db2.gz DPOYWZRNUVWNNK-NWDGAFQWSA-N 2 2 248.342 0.217 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](CF)C1 ZINC000711466092 712302475 /nfs/dbraw/zinc/30/24/75/712302475.db2.gz DPOYWZRNUVWNNK-NWDGAFQWSA-N 2 2 248.342 0.217 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CF)C1 ZINC000711466095 712302540 /nfs/dbraw/zinc/30/25/40/712302540.db2.gz DPOYWZRNUVWNNK-VXGBXAGGSA-N 2 2 248.342 0.217 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CF)C1 ZINC000711466095 712302541 /nfs/dbraw/zinc/30/25/41/712302541.db2.gz DPOYWZRNUVWNNK-VXGBXAGGSA-N 2 2 248.342 0.217 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](CF)C1 ZINC000711466095 712302542 /nfs/dbraw/zinc/30/25/42/712302542.db2.gz DPOYWZRNUVWNNK-VXGBXAGGSA-N 2 2 248.342 0.217 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](CF)C1 ZINC000711466095 712302543 /nfs/dbraw/zinc/30/25/43/712302543.db2.gz DPOYWZRNUVWNNK-VXGBXAGGSA-N 2 2 248.342 0.217 20 0 BCADLP C[C@@H]1C[C@@H](NC[C@@H]2CC[NH+]2C)CC[N@@H+]1C ZINC000712611931 712437505 /nfs/dbraw/zinc/43/75/05/712437505.db2.gz APQVUBRRUUTMFL-WOPDTQHZSA-N 2 2 211.353 0.763 20 0 BCADLP C[C@@H]1C[C@@H](NC[C@@H]2CC[NH+]2C)CC[N@H+]1C ZINC000712611931 712437506 /nfs/dbraw/zinc/43/75/06/712437506.db2.gz APQVUBRRUUTMFL-WOPDTQHZSA-N 2 2 211.353 0.763 20 0 BCADLP C[C@@H]1C[C@@H](NC[C@@H]2CC[N@@H+]2C)CC[NH+]1C ZINC000712611931 712437508 /nfs/dbraw/zinc/43/75/08/712437508.db2.gz APQVUBRRUUTMFL-WOPDTQHZSA-N 2 2 211.353 0.763 20 0 BCADLP C[C@@H]1C[C@@H](NC[C@@H]2CC[N@H+]2C)CC[NH+]1C ZINC000712611931 712437509 /nfs/dbraw/zinc/43/75/09/712437509.db2.gz APQVUBRRUUTMFL-WOPDTQHZSA-N 2 2 211.353 0.763 20 0 BCADLP C[N@@H+]1CC[C@@H]1CNC1CC[NH+](C2CC2)CC1 ZINC000712555854 712445224 /nfs/dbraw/zinc/44/52/24/712445224.db2.gz HZFBAKTUVLCHOC-CYBMUJFWSA-N 2 2 223.364 0.907 20 0 BCADLP C[N@H+]1CC[C@@H]1CNC1CC[NH+](C2CC2)CC1 ZINC000712555854 712445226 /nfs/dbraw/zinc/44/52/26/712445226.db2.gz HZFBAKTUVLCHOC-CYBMUJFWSA-N 2 2 223.364 0.907 20 0 BCADLP C[N@@H+]1CC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000712554821 712445304 /nfs/dbraw/zinc/44/53/04/712445304.db2.gz CNAMHWVFSZYRQG-WVMKXHBISA-N 2 2 223.364 0.905 20 0 BCADLP C[N@H+]1CC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000712554821 712445306 /nfs/dbraw/zinc/44/53/06/712445306.db2.gz CNAMHWVFSZYRQG-WVMKXHBISA-N 2 2 223.364 0.905 20 0 BCADLP C[NH+]1CC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000712554821 712445308 /nfs/dbraw/zinc/44/53/08/712445308.db2.gz CNAMHWVFSZYRQG-WVMKXHBISA-N 2 2 223.364 0.905 20 0 BCADLP C[NH+]1CC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000712554821 712445310 /nfs/dbraw/zinc/44/53/10/712445310.db2.gz CNAMHWVFSZYRQG-WVMKXHBISA-N 2 2 223.364 0.905 20 0 BCADLP CC1(C)CC[NH2+]CC[N@@H+]1CCN1CCCC1=O ZINC000712565964 712446290 /nfs/dbraw/zinc/44/62/90/712446290.db2.gz JHZMUUHGTWBKLC-UHFFFAOYSA-N 2 2 239.363 0.683 20 0 BCADLP CC1(C)CC[NH2+]CC[N@H+]1CCN1CCCC1=O ZINC000712565964 712446291 /nfs/dbraw/zinc/44/62/91/712446291.db2.gz JHZMUUHGTWBKLC-UHFFFAOYSA-N 2 2 239.363 0.683 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H]1CC2(CO1)CCOCC2 ZINC000712698684 712448596 /nfs/dbraw/zinc/44/85/96/712448596.db2.gz RZMKKRKQSKVQAT-RYUDHWBXSA-N 2 2 242.363 0.851 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1CC2(CO1)CCOCC2 ZINC000712698684 712448597 /nfs/dbraw/zinc/44/85/97/712448597.db2.gz RZMKKRKQSKVQAT-RYUDHWBXSA-N 2 2 242.363 0.851 20 0 BCADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cn(C)nn1 ZINC000715887798 712540105 /nfs/dbraw/zinc/54/01/05/712540105.db2.gz COGMFLAAPIUWRF-SECBINFHSA-N 2 2 220.280 0.362 20 0 BCADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)C(=O)NC(C)(C)C ZINC000037249556 712558374 /nfs/dbraw/zinc/55/83/74/712558374.db2.gz FLBUOLUYYTVCOF-SNVBAGLBSA-N 2 2 241.379 0.973 20 0 BCADLP CC[NH+](CC)CC[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000379869012 712619377 /nfs/dbraw/zinc/61/93/77/712619377.db2.gz OIXPUYOHJUKWCC-NEPJUHHUSA-N 2 2 241.379 0.975 20 0 BCADLP C[C@@H](CCO)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000380139853 712698889 /nfs/dbraw/zinc/69/88/89/712698889.db2.gz VGZUQYZEKBZQJH-VHSXEESVSA-N 2 2 209.293 0.558 20 0 BCADLP CCNC(=O)C[N@H+](CC)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721040631 712888014 /nfs/dbraw/zinc/88/80/14/712888014.db2.gz WCBWXPZNRBWDSR-MNOVXSKESA-N 2 2 227.352 0.300 20 0 BCADLP CCNC(=O)C[N@@H+](CC)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721040631 712888015 /nfs/dbraw/zinc/88/80/15/712888015.db2.gz WCBWXPZNRBWDSR-MNOVXSKESA-N 2 2 227.352 0.300 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)CCS1 ZINC000380460954 712901098 /nfs/dbraw/zinc/90/10/98/712901098.db2.gz FIYFENZWHOXDAB-NEPJUHHUSA-N 2 2 244.404 0.880 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)CCS1 ZINC000380460954 712901099 /nfs/dbraw/zinc/90/10/99/712901099.db2.gz FIYFENZWHOXDAB-NEPJUHHUSA-N 2 2 244.404 0.880 20 0 BCADLP Cn1c[nH+]cc1CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000384426168 710992596 /nfs/dbraw/zinc/99/25/96/710992596.db2.gz UTDRYVSYUKWHCU-XZPDDHLCSA-N 2 2 232.331 0.506 20 0 BCADLP CCOC(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)OCC ZINC000384517463 710994459 /nfs/dbraw/zinc/99/44/59/710994459.db2.gz AMAXCBZIVXRDRY-PJXYFTJBSA-N 2 2 242.363 0.877 20 0 BCADLP CCOC(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)OCC ZINC000384517463 710994461 /nfs/dbraw/zinc/99/44/61/710994461.db2.gz AMAXCBZIVXRDRY-PJXYFTJBSA-N 2 2 242.363 0.877 20 0 BCADLP Cc1cc(C)n(CC[N@@H+](C)C[C@H](C)[NH3+])n1 ZINC000386729961 711035955 /nfs/dbraw/zinc/03/59/55/711035955.db2.gz AXGDSALJAAKOJH-VIFPVBQESA-N 2 2 210.325 0.779 20 0 BCADLP Cc1cc(C)n(CC[N@H+](C)C[C@H](C)[NH3+])n1 ZINC000386729961 711035958 /nfs/dbraw/zinc/03/59/58/711035958.db2.gz AXGDSALJAAKOJH-VIFPVBQESA-N 2 2 210.325 0.779 20 0 BCADLP [NH3+]CC[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000390274262 711111870 /nfs/dbraw/zinc/11/18/70/711111870.db2.gz SNTQBVARGWKEQF-GFCCVEGCSA-N 2 2 228.336 0.605 20 0 BCADLP COCCOCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396618986 711360815 /nfs/dbraw/zinc/36/08/15/711360815.db2.gz HCTIVFJZVRYTCE-GHMZBOCLSA-N 2 2 216.325 0.380 20 0 BCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1COC(C)(C)C1)C1CC1 ZINC000396549970 711352941 /nfs/dbraw/zinc/35/29/41/711352941.db2.gz VVUUYVRKRXTYBR-CMPLNLGQSA-N 2 2 242.363 0.599 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1COC(C)(C)C1)C1CC1 ZINC000396549970 711352946 /nfs/dbraw/zinc/35/29/46/711352946.db2.gz VVUUYVRKRXTYBR-CMPLNLGQSA-N 2 2 242.363 0.599 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1cn(C)cn1 ZINC000396708050 711366949 /nfs/dbraw/zinc/36/69/49/711366949.db2.gz KQEHZNLEKYPILJ-PWSUYJOCSA-N 2 2 222.336 0.693 20 0 BCADLP CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000396656528 711362852 /nfs/dbraw/zinc/36/28/52/711362852.db2.gz MWBNRJWTTUALTK-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP CCN1C[C@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1=O ZINC000396687420 711364890 /nfs/dbraw/zinc/36/48/90/711364890.db2.gz YWWFJILSLPMOHO-MXWKQRLJSA-N 2 2 225.336 0.337 20 0 BCADLP COC[C@H](C[NH2+][C@H]1CCC[NH2+][C@@H]1C)OC ZINC000396704652 711366873 /nfs/dbraw/zinc/36/68/73/711366873.db2.gz OCQRFGVJVUJHRD-VWYCJHECSA-N 2 2 216.325 0.378 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1cn(C)cn1 ZINC000396708051 711367234 /nfs/dbraw/zinc/36/72/34/711367234.db2.gz KQEHZNLEKYPILJ-ZYHUDNBSSA-N 2 2 222.336 0.693 20 0 BCADLP CC(C)[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001020818168 711468073 /nfs/dbraw/zinc/46/80/73/711468073.db2.gz HYDCODGFJCBCND-MGCOHNPYSA-N 2 2 236.319 0.597 20 0 BCADLP CC[N@H+](CC[NH3+])C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724556554 711589809 /nfs/dbraw/zinc/58/98/09/711589809.db2.gz HHIAJHWNEBBUHZ-GARJFASQSA-N 2 2 214.309 0.071 20 0 BCADLP CC[N@@H+](CC[NH3+])C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724556554 711589810 /nfs/dbraw/zinc/58/98/10/711589810.db2.gz HHIAJHWNEBBUHZ-GARJFASQSA-N 2 2 214.309 0.071 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724596359 711596502 /nfs/dbraw/zinc/59/65/02/711596502.db2.gz VSOMCCMFTGZOTJ-ZNSHCXBVSA-N 2 2 214.309 0.069 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724596359 711596504 /nfs/dbraw/zinc/59/65/04/711596504.db2.gz VSOMCCMFTGZOTJ-ZNSHCXBVSA-N 2 2 214.309 0.069 20 0 BCADLP CC1(C)C[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C[C@@H]1[NH3+] ZINC000724598281 711596592 /nfs/dbraw/zinc/59/65/92/711596592.db2.gz GOPFYGSLPSCGSU-RHYQMDGZSA-N 2 2 240.347 0.459 20 0 BCADLP CC1(C)C[N@@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C[C@@H]1[NH3+] ZINC000724598281 711596594 /nfs/dbraw/zinc/59/65/94/711596594.db2.gz GOPFYGSLPSCGSU-RHYQMDGZSA-N 2 2 240.347 0.459 20 0 BCADLP C[C@@H]1CCC[N@H+](CCO[C@@H]2CCOC2)[C@H]1C[NH3+] ZINC000724919757 711628025 /nfs/dbraw/zinc/62/80/25/711628025.db2.gz ACRAHNZGIFQRRH-UPJWGTAASA-N 2 2 242.363 0.851 20 0 BCADLP C[C@@H]1CCC[N@@H+](CCO[C@@H]2CCOC2)[C@H]1C[NH3+] ZINC000724919757 711628026 /nfs/dbraw/zinc/62/80/26/711628026.db2.gz ACRAHNZGIFQRRH-UPJWGTAASA-N 2 2 242.363 0.851 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCSCCCO ZINC000396569718 711701895 /nfs/dbraw/zinc/70/18/95/711701895.db2.gz KVWRISXQYCUJFO-QWRGUYRKSA-N 2 2 232.393 0.832 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000396587808 711702414 /nfs/dbraw/zinc/70/24/14/711702414.db2.gz AYOOATVLPUPGEK-NEPJUHHUSA-N 3 2 229.368 0.295 20 0 BCADLP C[C@H]([NH3+])[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccccc1 ZINC000925719255 711715072 /nfs/dbraw/zinc/71/50/72/711715072.db2.gz NDPQEJCHJQSZFC-BQUFFADESA-N 2 2 247.342 0.928 20 0 BCADLP CCN1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1=O ZINC000722356575 711745465 /nfs/dbraw/zinc/74/54/65/711745465.db2.gz JZRSHUFENAPILP-GFCCVEGCSA-N 2 2 239.363 0.681 20 0 BCADLP O=C1CC[C@@H]2C[N@H+](C[C@H]3CCC[NH2+]3)CC[C@H]2N1 ZINC000160330196 711806417 /nfs/dbraw/zinc/80/64/17/711806417.db2.gz CUYFTCIGONGRPQ-IJLUTSLNSA-N 2 2 237.347 0.339 20 0 BCADLP O=C1CC[C@@H]2C[N@@H+](C[C@H]3CCC[NH2+]3)CC[C@H]2N1 ZINC000160330196 711806418 /nfs/dbraw/zinc/80/64/18/711806418.db2.gz CUYFTCIGONGRPQ-IJLUTSLNSA-N 2 2 237.347 0.339 20 0 BCADLP Cn1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000383641863 711874111 /nfs/dbraw/zinc/87/41/11/711874111.db2.gz BPKHTFYYIIAOLI-ZMLRMANQSA-N 2 2 235.335 0.374 20 0 BCADLP Cn1ncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000383641863 711874112 /nfs/dbraw/zinc/87/41/12/711874112.db2.gz BPKHTFYYIIAOLI-ZMLRMANQSA-N 2 2 235.335 0.374 20 0 BCADLP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH]cc[nH+]1 ZINC001032380063 711915443 /nfs/dbraw/zinc/91/54/43/711915443.db2.gz PXZYFYGIJWSODI-QWRGUYRKSA-N 2 2 248.330 0.647 20 0 BCADLP CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH]cc[nH+]1 ZINC001032380063 711915445 /nfs/dbraw/zinc/91/54/45/711915445.db2.gz PXZYFYGIJWSODI-QWRGUYRKSA-N 2 2 248.330 0.647 20 0 BCADLP CN(C(=O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)C1CC1 ZINC000702076835 712037977 /nfs/dbraw/zinc/03/79/77/712037977.db2.gz OKIKDITVNYPGDX-GXFFZTMASA-N 2 2 237.347 0.149 20 0 BCADLP CN(C(=O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)C1CC1 ZINC000702076835 712037978 /nfs/dbraw/zinc/03/79/78/712037978.db2.gz OKIKDITVNYPGDX-GXFFZTMASA-N 2 2 237.347 0.149 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702378803 712049104 /nfs/dbraw/zinc/04/91/04/712049104.db2.gz FMWWNFCSCFWDMP-ZOBORPQBSA-N 3 2 237.391 0.725 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702378803 712049105 /nfs/dbraw/zinc/04/91/05/712049105.db2.gz FMWWNFCSCFWDMP-ZOBORPQBSA-N 3 2 237.391 0.725 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702378803 712049106 /nfs/dbraw/zinc/04/91/06/712049106.db2.gz FMWWNFCSCFWDMP-ZOBORPQBSA-N 3 2 237.391 0.725 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702378803 712049107 /nfs/dbraw/zinc/04/91/07/712049107.db2.gz FMWWNFCSCFWDMP-ZOBORPQBSA-N 3 2 237.391 0.725 20 0 BCADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cn[nH]c3)C[C@]2(C)C1 ZINC000702394036 712050189 /nfs/dbraw/zinc/05/01/89/712050189.db2.gz WVFRDANNSJEMNC-NEPJUHHUSA-N 2 2 220.320 0.793 20 0 BCADLP C[N@H+]1C[C@@H]2C[NH+](Cc3cn[nH]c3)C[C@]2(C)C1 ZINC000702394036 712050191 /nfs/dbraw/zinc/05/01/91/712050191.db2.gz WVFRDANNSJEMNC-NEPJUHHUSA-N 2 2 220.320 0.793 20 0 BCADLP C[NH+]1C[C@@H]2C[N@H+](Cc3cn[nH]c3)C[C@]2(C)C1 ZINC000702394036 712050193 /nfs/dbraw/zinc/05/01/93/712050193.db2.gz WVFRDANNSJEMNC-NEPJUHHUSA-N 2 2 220.320 0.793 20 0 BCADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cn[nH]c3)C[C@]2(C)C1 ZINC000702394036 712050194 /nfs/dbraw/zinc/05/01/94/712050194.db2.gz WVFRDANNSJEMNC-NEPJUHHUSA-N 2 2 220.320 0.793 20 0 BCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+]([C@H]1CCOC1=O)C2 ZINC000702630010 712056992 /nfs/dbraw/zinc/05/69/92/712056992.db2.gz MESCAUGIYGCNAM-ZMLRMANQSA-N 2 2 224.304 0.233 20 0 BCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+]([C@H]1CCOC1=O)C2 ZINC000702630010 712056993 /nfs/dbraw/zinc/05/69/93/712056993.db2.gz MESCAUGIYGCNAM-ZMLRMANQSA-N 2 2 224.304 0.233 20 0 BCADLP C1C[C@@H]2C[C@@H]([NH2+][C@H]3CNOC3)CC[N@H+]2C1 ZINC000703308449 712071791 /nfs/dbraw/zinc/07/17/91/712071791.db2.gz CDOYFWYNQUASSM-GARJFASQSA-N 2 2 211.309 0.106 20 0 BCADLP C1C[C@@H]2C[C@@H]([NH2+][C@H]3CNOC3)CC[N@@H+]2C1 ZINC000703308449 712071788 /nfs/dbraw/zinc/07/17/88/712071788.db2.gz CDOYFWYNQUASSM-GARJFASQSA-N 2 2 211.309 0.106 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C1CC([NH3+])C1 ZINC000703516759 712078040 /nfs/dbraw/zinc/07/80/40/712078040.db2.gz TYCYHPVLOAFBDH-XNWIYYODSA-N 2 2 222.292 0.125 20 0 BCADLP CCn1cc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cn1 ZINC000703563323 712080441 /nfs/dbraw/zinc/08/04/41/712080441.db2.gz XDQOYFMTRHYIPZ-QWHCGFSZSA-N 2 2 234.347 0.944 20 0 BCADLP CCn1cc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cn1 ZINC000703563323 712080443 /nfs/dbraw/zinc/08/04/43/712080443.db2.gz XDQOYFMTRHYIPZ-QWHCGFSZSA-N 2 2 234.347 0.944 20 0 BCADLP Cn1cc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cn1 ZINC000703560455 712080464 /nfs/dbraw/zinc/08/04/64/712080464.db2.gz BUYHQMZTXWDJKX-NWDGAFQWSA-N 2 2 220.320 0.461 20 0 BCADLP Cn1cc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cn1 ZINC000703560455 712080465 /nfs/dbraw/zinc/08/04/65/712080465.db2.gz BUYHQMZTXWDJKX-NWDGAFQWSA-N 2 2 220.320 0.461 20 0 BCADLP CN1CCC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1=O ZINC000704389055 712105345 /nfs/dbraw/zinc/10/53/45/712105345.db2.gz YFDSCWOFEBCKFY-LIBFEPKXSA-N 2 2 249.358 0.193 20 0 BCADLP CC1([NH3+])CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000704542825 712110327 /nfs/dbraw/zinc/11/03/27/712110327.db2.gz UZXVGEBZAKJMRF-ZETCQYMHSA-N 2 2 226.242 0.723 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000705629493 712133289 /nfs/dbraw/zinc/13/32/89/712133289.db2.gz OVQLCBBFBJVKOT-RAIGVLPGSA-N 2 2 239.363 0.524 20 0 BCADLP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)on1 ZINC000705581369 712133318 /nfs/dbraw/zinc/13/33/18/712133318.db2.gz HLXACRYDLHVRAN-VIFPVBQESA-N 2 2 225.292 0.854 20 0 BCADLP C[N@H+](CCn1cccn1)C[C@@H]([NH3+])CC(F)F ZINC000707397191 712170201 /nfs/dbraw/zinc/17/02/01/712170201.db2.gz SMZVJABDQRPFBB-VIFPVBQESA-N 2 2 232.278 0.797 20 0 BCADLP C[N@@H+](CCn1cccn1)C[C@@H]([NH3+])CC(F)F ZINC000707397191 712170203 /nfs/dbraw/zinc/17/02/03/712170203.db2.gz SMZVJABDQRPFBB-VIFPVBQESA-N 2 2 232.278 0.797 20 0 BCADLP C[C@@H](CNC(C[NH3+])C[NH3+])CC(C)(C)C ZINC000708320330 712186319 /nfs/dbraw/zinc/18/63/19/712186319.db2.gz UKCLINBYZBFKLO-SECBINFHSA-N 2 2 201.358 0.934 20 0 BCADLP C[C@@H](C[NH2+]C(CN)C[NH3+])CC(C)(C)C ZINC000708320330 712186321 /nfs/dbraw/zinc/18/63/21/712186321.db2.gz UKCLINBYZBFKLO-SECBINFHSA-N 2 2 201.358 0.934 20 0 BCADLP [NH3+][C@@H]1CCCCC[N@H+](CCN2CCOC2=O)C1 ZINC000709011641 712205977 /nfs/dbraw/zinc/20/59/77/712205977.db2.gz CFELHPHKNOJTSF-LLVKDONJSA-N 2 2 241.335 0.642 20 0 BCADLP [NH3+][C@@H]1CCCCC[N@@H+](CCN2CCOC2=O)C1 ZINC000709011641 712205980 /nfs/dbraw/zinc/20/59/80/712205980.db2.gz CFELHPHKNOJTSF-LLVKDONJSA-N 2 2 241.335 0.642 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000373107282 712284529 /nfs/dbraw/zinc/28/45/29/712284529.db2.gz RETPRQHPJMMRMI-WDEREUQCSA-N 2 2 248.330 0.488 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000373107282 712284530 /nfs/dbraw/zinc/28/45/30/712284530.db2.gz RETPRQHPJMMRMI-WDEREUQCSA-N 2 2 248.330 0.488 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](CF)C1)C1CC1 ZINC000711471661 712303041 /nfs/dbraw/zinc/30/30/41/712303041.db2.gz UIKLOBHKNRZRQQ-ZYHUDNBSSA-N 2 2 230.327 0.733 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](CF)C1)C1CC1 ZINC000711471661 712303044 /nfs/dbraw/zinc/30/30/44/712303044.db2.gz UIKLOBHKNRZRQQ-ZYHUDNBSSA-N 2 2 230.327 0.733 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](CF)C1)C1CC1 ZINC000711471661 712303046 /nfs/dbraw/zinc/30/30/46/712303046.db2.gz UIKLOBHKNRZRQQ-ZYHUDNBSSA-N 2 2 230.327 0.733 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](CF)C1)C1CC1 ZINC000711471661 712303048 /nfs/dbraw/zinc/30/30/48/712303048.db2.gz UIKLOBHKNRZRQQ-ZYHUDNBSSA-N 2 2 230.327 0.733 20 0 BCADLP O=C(CCn1cc[nH+]c1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000711631986 712313524 /nfs/dbraw/zinc/31/35/24/712313524.db2.gz KFIJZNLOEBVOFI-AAEUAGOBSA-N 2 2 248.330 0.674 20 0 BCADLP CC[N@@H+]1CC[C@@H]1CNc1nc[nH+]c(N)c1OC ZINC000712582640 712433661 /nfs/dbraw/zinc/43/36/61/712433661.db2.gz ZHNKKZGZILSBKG-MRVPVSSYSA-N 2 2 237.307 0.574 20 0 BCADLP CC[N@H+]1CC[C@@H]1CNc1nc[nH+]c(N)c1OC ZINC000712582640 712433662 /nfs/dbraw/zinc/43/36/62/712433662.db2.gz ZHNKKZGZILSBKG-MRVPVSSYSA-N 2 2 237.307 0.574 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CC[NH2+]CCC1(C)C ZINC000712524355 712441075 /nfs/dbraw/zinc/44/10/75/712441075.db2.gz RVFLVQPZZNLZDR-UHFFFAOYSA-N 2 2 213.325 0.149 20 0 BCADLP CN(C)C(=O)C[N@H+]1CC[NH2+]CCC1(C)C ZINC000712524355 712441077 /nfs/dbraw/zinc/44/10/77/712441077.db2.gz RVFLVQPZZNLZDR-UHFFFAOYSA-N 2 2 213.325 0.149 20 0 BCADLP CC[N@H+](CC[NH3+])C[C@@H]1CC2(CO1)CCOCC2 ZINC000712699577 712448617 /nfs/dbraw/zinc/44/86/17/712448617.db2.gz VJNMLPMIRVFOAT-LBPRGKRZSA-N 2 2 242.363 0.853 20 0 BCADLP CC[N@@H+](CC[NH3+])C[C@@H]1CC2(CO1)CCOCC2 ZINC000712699577 712448618 /nfs/dbraw/zinc/44/86/18/712448618.db2.gz VJNMLPMIRVFOAT-LBPRGKRZSA-N 2 2 242.363 0.853 20 0 BCADLP Cc1cc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc[nH+]1 ZINC000713191077 712454488 /nfs/dbraw/zinc/45/44/88/712454488.db2.gz CQBZWTNRMNEAIB-NRUUGDAUSA-N 2 2 231.299 0.878 20 0 BCADLP [NH3+]CC(C[NH3+])NCC[C@@H]1CCCC1(F)F ZINC000713987382 712476627 /nfs/dbraw/zinc/47/66/27/712476627.db2.gz HWCQZEYQMWKYLC-QMMMGPOBSA-N 2 2 221.295 0.688 20 0 BCADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC000715569706 712529379 /nfs/dbraw/zinc/52/93/79/712529379.db2.gz KXPORYUEBVKCNZ-QWRGUYRKSA-N 2 2 248.392 0.493 20 0 BCADLP Cc1[nH]c(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c(C)[nH+]1 ZINC000930163218 712616018 /nfs/dbraw/zinc/61/60/18/712616018.db2.gz RFNVOGBNLFYPPS-HQJQHLMTSA-N 2 2 209.293 0.839 20 0 BCADLP COCC[C@H]([NH3+])C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000884221246 712644226 /nfs/dbraw/zinc/64/42/26/712644226.db2.gz NRRBXNJPGORDMV-JTQLQIEISA-N 2 2 248.286 0.637 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000380144401 712699240 /nfs/dbraw/zinc/69/92/40/712699240.db2.gz WKXYSXIHSDOCQF-NXEZZACHSA-N 2 2 213.325 0.324 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000380144401 712699241 /nfs/dbraw/zinc/69/92/41/712699241.db2.gz WKXYSXIHSDOCQF-NXEZZACHSA-N 2 2 213.325 0.324 20 0 BCADLP C[C@@H]1[C@@H]([NH2+]C2CC[NH+](C)CC2)CCN1C ZINC000719610847 712816658 /nfs/dbraw/zinc/81/66/58/712816658.db2.gz CMTBAYFUEKZNHA-PWSUYJOCSA-N 2 2 211.353 0.763 20 0 BCADLP C[C@H](O)CC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000720352867 712833033 /nfs/dbraw/zinc/83/30/33/712833033.db2.gz RIISWOXWOQHTLK-SDDRHHMPSA-N 2 2 212.337 0.926 20 0 BCADLP C[C@H](O)CC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000720352867 712833035 /nfs/dbraw/zinc/83/30/35/712833035.db2.gz RIISWOXWOQHTLK-SDDRHHMPSA-N 2 2 212.337 0.926 20 0 BCADLP C[C@H](O)CC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720352867 712833036 /nfs/dbraw/zinc/83/30/36/712833036.db2.gz RIISWOXWOQHTLK-SDDRHHMPSA-N 2 2 212.337 0.926 20 0 BCADLP C[C@H](O)CC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720352867 712833038 /nfs/dbraw/zinc/83/30/38/712833038.db2.gz RIISWOXWOQHTLK-SDDRHHMPSA-N 2 2 212.337 0.926 20 0 BCADLP COC[C@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000720479086 712846007 /nfs/dbraw/zinc/84/60/07/712846007.db2.gz HFRVLBNTPYCYHT-GRYCIOLGSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@H](O)C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000720479086 712846008 /nfs/dbraw/zinc/84/60/08/712846008.db2.gz HFRVLBNTPYCYHT-GRYCIOLGSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@H](O)C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720479086 712846009 /nfs/dbraw/zinc/84/60/09/712846009.db2.gz HFRVLBNTPYCYHT-GRYCIOLGSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@H](O)C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720479086 712846010 /nfs/dbraw/zinc/84/60/10/712846010.db2.gz HFRVLBNTPYCYHT-GRYCIOLGSA-N 2 2 228.336 0.162 20 0 BCADLP CCOC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000720484291 712846554 /nfs/dbraw/zinc/84/65/54/712846554.db2.gz XSELNQYZIZPRMZ-UPJWGTAASA-N 2 2 242.363 0.552 20 0 BCADLP CCOC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000720484291 712846555 /nfs/dbraw/zinc/84/65/55/712846555.db2.gz XSELNQYZIZPRMZ-UPJWGTAASA-N 2 2 242.363 0.552 20 0 BCADLP CCOC[C@H](O)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720484291 712846556 /nfs/dbraw/zinc/84/65/56/712846556.db2.gz XSELNQYZIZPRMZ-UPJWGTAASA-N 2 2 242.363 0.552 20 0 BCADLP CCOC[C@H](O)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720484291 712846557 /nfs/dbraw/zinc/84/65/57/712846557.db2.gz XSELNQYZIZPRMZ-UPJWGTAASA-N 2 2 242.363 0.552 20 0 BCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H](O)C1CC1 ZINC000720491627 712847314 /nfs/dbraw/zinc/84/73/14/712847314.db2.gz LDIDUAVYVABHAB-XQQFMLRXSA-N 2 2 224.348 0.926 20 0 BCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H](O)C1CC1 ZINC000720491627 712847315 /nfs/dbraw/zinc/84/73/15/712847315.db2.gz LDIDUAVYVABHAB-XQQFMLRXSA-N 2 2 224.348 0.926 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H](O)C1CC1 ZINC000720491627 712847316 /nfs/dbraw/zinc/84/73/16/712847316.db2.gz LDIDUAVYVABHAB-XQQFMLRXSA-N 2 2 224.348 0.926 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H](O)C1CC1 ZINC000720491627 712847317 /nfs/dbraw/zinc/84/73/17/712847317.db2.gz LDIDUAVYVABHAB-XQQFMLRXSA-N 2 2 224.348 0.926 20 0 BCADLP CC1(C)C[N@H+](CCc2cn[nH]c2)C[C@@H]1[NH3+] ZINC000720797664 712866571 /nfs/dbraw/zinc/86/65/71/712866571.db2.gz FTDZNCZAINPECF-JTQLQIEISA-N 2 2 208.309 0.621 20 0 BCADLP CC1(C)C[N@@H+](CCc2cn[nH]c2)C[C@@H]1[NH3+] ZINC000720797664 712866572 /nfs/dbraw/zinc/86/65/72/712866572.db2.gz FTDZNCZAINPECF-JTQLQIEISA-N 2 2 208.309 0.621 20 0 BCADLP C(C[NH+]1CCOCC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000720919287 712878196 /nfs/dbraw/zinc/87/81/96/712878196.db2.gz MHOQMIWWTYSBPB-CHWSQXEVSA-N 2 2 239.363 0.145 20 0 BCADLP Cc1c[nH+]c(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c(N)c1 ZINC001164669392 719419101 /nfs/dbraw/zinc/41/91/01/719419101.db2.gz LWRMLNVUUFKUMM-NWDGAFQWSA-N 2 2 248.330 0.491 20 0 BCADLP Cc1c[nH+]c(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c(N)c1 ZINC001164669392 719419107 /nfs/dbraw/zinc/41/91/07/719419107.db2.gz LWRMLNVUUFKUMM-NWDGAFQWSA-N 2 2 248.330 0.491 20 0 BCADLP Cc1ccc(N2CCN3CC[NH2+]C[C@@H]3C2)[nH+]c1C ZINC001164398921 718832458 /nfs/dbraw/zinc/83/24/58/718832458.db2.gz MHBXPYJDIMFYEZ-CYBMUJFWSA-N 2 2 246.358 0.792 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ncnc2c1C[NH2+]C2 ZINC001164635903 719179942 /nfs/dbraw/zinc/17/99/42/719179942.db2.gz MAVOULLBOQGUED-NXEZZACHSA-N 2 2 247.346 0.609 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ncnc2c1C[NH2+]C2 ZINC001164635903 719179948 /nfs/dbraw/zinc/17/99/48/719179948.db2.gz MAVOULLBOQGUED-NXEZZACHSA-N 2 2 247.346 0.609 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc[nH+]c(N)n1 ZINC001120914527 719223700 /nfs/dbraw/zinc/22/37/00/719223700.db2.gz QSXIBHGBMBVBAV-DTWKUNHWSA-N 2 2 221.308 0.588 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cc[nH+]c(N)n1 ZINC001120914527 719223706 /nfs/dbraw/zinc/22/37/06/719223706.db2.gz QSXIBHGBMBVBAV-DTWKUNHWSA-N 2 2 221.308 0.588 20 0 BCADLP Cc1c[nH+]c(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c(N)c1 ZINC001164669402 719420537 /nfs/dbraw/zinc/42/05/37/719420537.db2.gz LWRMLNVUUFKUMM-VXGBXAGGSA-N 2 2 248.330 0.491 20 0 BCADLP Cc1c[nH+]c(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c(N)c1 ZINC001164669402 719420540 /nfs/dbraw/zinc/42/05/40/719420540.db2.gz LWRMLNVUUFKUMM-VXGBXAGGSA-N 2 2 248.330 0.491 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000385188791 398138593 /nfs/dbraw/zinc/13/85/93/398138593.db2.gz PSTLSXWPHRRESE-SYLRKERUSA-N 2 2 242.363 0.909 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000053443742 136209769 /nfs/dbraw/zinc/20/97/69/136209769.db2.gz JPDLXMHWWNAWQF-RYUDHWBXSA-N 2 2 230.352 0.722 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000053443742 136209770 /nfs/dbraw/zinc/20/97/70/136209770.db2.gz JPDLXMHWWNAWQF-RYUDHWBXSA-N 2 2 230.352 0.722 20 0 BCADLP c1nc(N[C@H]2CC[NH2+]C2)cc(N2CCCC2)[nH+]1 ZINC000258565264 349507831 /nfs/dbraw/zinc/50/78/31/349507831.db2.gz CESYPDVPGIIBMB-JTQLQIEISA-N 2 2 233.319 0.851 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000062896234 349496145 /nfs/dbraw/zinc/49/61/45/349496145.db2.gz HXQQOMVCMMBIPJ-GFCCVEGCSA-N 2 2 236.319 0.378 20 0 BCADLP CS(=O)(=O)CCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000063015259 349503500 /nfs/dbraw/zinc/50/35/00/349503500.db2.gz LMNICSYZTCOFAQ-JTQLQIEISA-N 2 2 234.365 0.092 20 0 BCADLP CS(=O)(=O)CCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000063015259 349503502 /nfs/dbraw/zinc/50/35/02/349503502.db2.gz LMNICSYZTCOFAQ-JTQLQIEISA-N 2 2 234.365 0.092 20 0 BCADLP COC[C@@]1(C)C[N@H+](CCn2cc[nH+]c2)CCO1 ZINC000626176187 346817121 /nfs/dbraw/zinc/81/71/21/346817121.db2.gz HLIBOWYZPAVOLU-GFCCVEGCSA-N 2 2 239.319 0.620 20 0 BCADLP COC[C@@]1(C)C[N@@H+](CCn2cc[nH+]c2)CCO1 ZINC000626176187 346817125 /nfs/dbraw/zinc/81/71/25/346817125.db2.gz HLIBOWYZPAVOLU-GFCCVEGCSA-N 2 2 239.319 0.620 20 0 BCADLP Cn1nncc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000519819762 398178873 /nfs/dbraw/zinc/17/88/73/398178873.db2.gz AYLFOIDPTPIPMY-GFCCVEGCSA-N 2 2 235.335 0.391 20 0 BCADLP Cn1nncc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000519819762 398178876 /nfs/dbraw/zinc/17/88/76/398178876.db2.gz AYLFOIDPTPIPMY-GFCCVEGCSA-N 2 2 235.335 0.391 20 0 BCADLP Cn1nncc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000519819765 398179024 /nfs/dbraw/zinc/17/90/24/398179024.db2.gz AYLFOIDPTPIPMY-LBPRGKRZSA-N 2 2 235.335 0.391 20 0 BCADLP Cn1nncc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000519819765 398179027 /nfs/dbraw/zinc/17/90/27/398179027.db2.gz AYLFOIDPTPIPMY-LBPRGKRZSA-N 2 2 235.335 0.391 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649347839 398161194 /nfs/dbraw/zinc/16/11/94/398161194.db2.gz GEFWWSQSGGKPNY-HLTSFMKQSA-N 2 2 220.276 0.085 20 0 BCADLP CC(C)([NH3+])CC(=O)Nc1ccc(N)[nH+]c1 ZINC000390213106 398164473 /nfs/dbraw/zinc/16/44/73/398164473.db2.gz WCLSVCRCOBZKBY-UHFFFAOYSA-N 2 2 208.265 0.560 20 0 BCADLP CC(C)[NH2+]C1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000647968264 398202606 /nfs/dbraw/zinc/20/26/06/398202606.db2.gz YVMRSBFXWJXXNI-UHFFFAOYSA-N 2 2 237.351 0.810 20 0 BCADLP CC(C)[NH2+]C1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000647968264 398202610 /nfs/dbraw/zinc/20/26/10/398202610.db2.gz YVMRSBFXWJXXNI-UHFFFAOYSA-N 2 2 237.351 0.810 20 0 BCADLP Cn1cncc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000576263246 365542757 /nfs/dbraw/zinc/54/27/57/365542757.db2.gz YPUAHHWJQAQWPI-VIFPVBQESA-N 2 2 231.303 0.790 20 0 BCADLP Cc1ccc2[nH+]c(CNC(=O)[C@H](C)C[NH3+])cn2c1 ZINC000262354130 398215470 /nfs/dbraw/zinc/21/54/70/398215470.db2.gz JKWOWGQKMVNBEZ-SNVBAGLBSA-N 2 2 246.314 0.854 20 0 BCADLP c1cc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc[nH+]1 ZINC000649414825 398218397 /nfs/dbraw/zinc/21/83/97/398218397.db2.gz ZQFMWCBWUWBTMF-ZDUSSCGKSA-N 3 2 246.358 0.813 20 0 BCADLP Cc1cc(C)n(CC[N@@H+]2CCC[C@@H]([NH3+])C2)n1 ZINC000386747424 398219199 /nfs/dbraw/zinc/21/91/99/398219199.db2.gz FQQLMJZPLFKESV-GFCCVEGCSA-N 2 2 222.336 0.923 20 0 BCADLP Cc1cc(C)n(CC[N@H+]2CCC[C@@H]([NH3+])C2)n1 ZINC000386747424 398219201 /nfs/dbraw/zinc/21/92/01/398219201.db2.gz FQQLMJZPLFKESV-GFCCVEGCSA-N 2 2 222.336 0.923 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H](CO)CC(F)F ZINC000336767383 136221379 /nfs/dbraw/zinc/22/13/79/136221379.db2.gz SZZYSILKFKMHIZ-HLTSFMKQSA-N 2 2 222.279 0.542 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H](CO)CC(F)F ZINC000336767383 136221380 /nfs/dbraw/zinc/22/13/80/136221380.db2.gz SZZYSILKFKMHIZ-HLTSFMKQSA-N 2 2 222.279 0.542 20 0 BCADLP Cn1cc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000649413664 398212151 /nfs/dbraw/zinc/21/21/51/398212151.db2.gz XZWZNEVEZOXEMJ-GFCCVEGCSA-N 2 2 249.362 0.152 20 0 BCADLP Cc1cc(NC[C@](C)(O)C[NH+](C)C)nc[nH+]1 ZINC000132929103 178170364 /nfs/dbraw/zinc/17/03/64/178170364.db2.gz JZDAZPNUNBKDHQ-NSHDSACASA-N 2 2 224.308 0.510 20 0 BCADLP C(C[NH+]1CCOCC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000649419284 398220783 /nfs/dbraw/zinc/22/07/83/398220783.db2.gz KVWNODAVILRBIU-OLZOCXBDSA-N 2 2 239.363 0.002 20 0 BCADLP CCN(C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000649422768 398222018 /nfs/dbraw/zinc/22/20/18/398222018.db2.gz VQEDYVJKJWYIMZ-NSHDSACASA-N 2 2 242.367 0.411 20 0 BCADLP CCN(C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000649422768 398222020 /nfs/dbraw/zinc/22/20/20/398222020.db2.gz VQEDYVJKJWYIMZ-NSHDSACASA-N 2 2 242.367 0.411 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000639017086 398222520 /nfs/dbraw/zinc/22/25/20/398222520.db2.gz RJAYDGFBZQQANV-GWCFXTLKSA-N 2 2 248.330 0.758 20 0 BCADLP C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000132557463 398229422 /nfs/dbraw/zinc/22/94/22/398229422.db2.gz UAKXWLGAOANLKT-JTQLQIEISA-N 2 2 222.292 0.094 20 0 BCADLP C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000132557253 398229503 /nfs/dbraw/zinc/22/95/03/398229503.db2.gz UAKXWLGAOANLKT-SNVBAGLBSA-N 2 2 222.292 0.094 20 0 BCADLP C[C@@](C[NH3+])([NH2+]CC(=O)NCC1CCC1)C1CC1 ZINC000430574861 398229106 /nfs/dbraw/zinc/22/91/06/398229106.db2.gz PCYQPLHXTROYNR-ZDUSSCGKSA-N 2 2 239.363 0.620 20 0 BCADLP CC[NH+](CC)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000276680812 538932920 /nfs/dbraw/zinc/93/29/20/538932920.db2.gz WBMCVLWWUQHPMX-UHFFFAOYSA-N 2 2 238.335 0.800 20 0 BCADLP CC[NH+](CC)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000276680812 538932921 /nfs/dbraw/zinc/93/29/21/538932921.db2.gz WBMCVLWWUQHPMX-UHFFFAOYSA-N 2 2 238.335 0.800 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](OC)C1 ZINC000381178492 398232947 /nfs/dbraw/zinc/23/29/47/398232947.db2.gz VQYCHVIRTCJLSH-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](OC)C1 ZINC000381178492 398232950 /nfs/dbraw/zinc/23/29/50/398232950.db2.gz VQYCHVIRTCJLSH-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](OC)C1 ZINC000381178492 398232952 /nfs/dbraw/zinc/23/29/52/398232952.db2.gz VQYCHVIRTCJLSH-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](OC)C1 ZINC000381178492 398232953 /nfs/dbraw/zinc/23/29/53/398232953.db2.gz VQYCHVIRTCJLSH-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000334317553 136225320 /nfs/dbraw/zinc/22/53/20/136225320.db2.gz QPIRVTMACBGXHE-MNOVXSKESA-N 2 2 225.336 0.243 20 0 BCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000334317553 136225321 /nfs/dbraw/zinc/22/53/21/136225321.db2.gz QPIRVTMACBGXHE-MNOVXSKESA-N 2 2 225.336 0.243 20 0 BCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000334317553 136225322 /nfs/dbraw/zinc/22/53/22/136225322.db2.gz QPIRVTMACBGXHE-MNOVXSKESA-N 2 2 225.336 0.243 20 0 BCADLP C[N@H+](CC(=O)N1CC(n2cc[nH+]c2)C1)C1CCC1 ZINC000629961125 361806495 /nfs/dbraw/zinc/80/64/95/361806495.db2.gz JATAWIVJEDBENE-UHFFFAOYSA-N 2 2 248.330 0.751 20 0 BCADLP C[N@@H+](CC(=O)N1CC(n2cc[nH+]c2)C1)C1CCC1 ZINC000629961125 361806500 /nfs/dbraw/zinc/80/65/00/361806500.db2.gz JATAWIVJEDBENE-UHFFFAOYSA-N 2 2 248.330 0.751 20 0 BCADLP COCCOCC[N@@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000252780346 136227029 /nfs/dbraw/zinc/22/70/29/136227029.db2.gz STQXDTWLCKASFE-NWDGAFQWSA-N 2 2 246.351 0.088 20 0 BCADLP COCCOCC[N@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000252780346 136227030 /nfs/dbraw/zinc/22/70/30/136227030.db2.gz STQXDTWLCKASFE-NWDGAFQWSA-N 2 2 246.351 0.088 20 0 BCADLP C[N@H+](CC(=O)NCc1[nH]cc[nH+]1)C1CCC1 ZINC000629959713 361803488 /nfs/dbraw/zinc/80/34/88/361803488.db2.gz JDUYXEDWWDYMOM-UHFFFAOYSA-N 2 2 222.292 0.510 20 0 BCADLP C[N@@H+](CC(=O)NCc1[nH]cc[nH+]1)C1CCC1 ZINC000629959713 361803490 /nfs/dbraw/zinc/80/34/90/361803490.db2.gz JDUYXEDWWDYMOM-UHFFFAOYSA-N 2 2 222.292 0.510 20 0 BCADLP CO[C@@H]1CC[N@H+](CCOC(C)C)[C@H](C[NH3+])C1 ZINC000252778359 136226888 /nfs/dbraw/zinc/22/68/88/136226888.db2.gz QWSPJWGWQKCPKT-NWDGAFQWSA-N 2 2 230.352 0.850 20 0 BCADLP CO[C@@H]1CC[N@@H+](CCOC(C)C)[C@H](C[NH3+])C1 ZINC000252778359 136226889 /nfs/dbraw/zinc/22/68/89/136226889.db2.gz QWSPJWGWQKCPKT-NWDGAFQWSA-N 2 2 230.352 0.850 20 0 BCADLP Cc1noc(C2CC[NH+](C[C@@H](C)[NH3+])CC2)n1 ZINC000442659981 398243202 /nfs/dbraw/zinc/24/32/02/398243202.db2.gz CJNVVDWTZLMSNP-MRVPVSSYSA-N 2 2 224.308 0.905 20 0 BCADLP C[C@]([NH2+]C[C@H]1CC[NH2+]C1)(C(N)=O)c1ccccc1 ZINC000647992055 398243738 /nfs/dbraw/zinc/24/37/38/398243738.db2.gz ZMBSHULVIKYZTL-SMDDNHRTSA-N 2 2 247.342 0.586 20 0 BCADLP [NH3+][C@@H](C(=O)NC[C@H]1CCC[NH2+]1)c1cscn1 ZINC000576696209 365659517 /nfs/dbraw/zinc/65/95/17/365659517.db2.gz FPBADAKPQNEPGC-VXNVDRBHSA-N 2 2 240.332 0.011 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000576714048 365666866 /nfs/dbraw/zinc/66/68/66/365666866.db2.gz KFAMTJUAJXJLIZ-LOWDOPEQSA-N 2 2 244.379 0.797 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000576714048 365666871 /nfs/dbraw/zinc/66/68/71/365666871.db2.gz KFAMTJUAJXJLIZ-LOWDOPEQSA-N 2 2 244.379 0.797 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000576714048 365666874 /nfs/dbraw/zinc/66/68/74/365666874.db2.gz KFAMTJUAJXJLIZ-LOWDOPEQSA-N 2 2 244.379 0.797 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000576714048 365666879 /nfs/dbraw/zinc/66/68/79/365666879.db2.gz KFAMTJUAJXJLIZ-LOWDOPEQSA-N 2 2 244.379 0.797 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CC[C@H]1O ZINC000378738761 346819506 /nfs/dbraw/zinc/81/95/06/346819506.db2.gz OBFFSEKZRZEGNC-JTLRNRKASA-N 2 2 210.321 0.582 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CC[C@H]1O ZINC000378738761 346819509 /nfs/dbraw/zinc/81/95/09/346819509.db2.gz OBFFSEKZRZEGNC-JTLRNRKASA-N 2 2 210.321 0.582 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC000381733049 398270783 /nfs/dbraw/zinc/27/07/83/398270783.db2.gz NTSRJYXNEXFIHM-SECBINFHSA-N 2 2 209.293 0.164 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccn(C)c(=O)c1 ZINC000381733049 398270786 /nfs/dbraw/zinc/27/07/86/398270786.db2.gz NTSRJYXNEXFIHM-SECBINFHSA-N 2 2 209.293 0.164 20 0 BCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000035142399 538956000 /nfs/dbraw/zinc/95/60/00/538956000.db2.gz JVXBTDZCASTFJI-JTQLQIEISA-N 2 2 225.336 0.149 20 0 BCADLP C[NH+]1CCC([NH2+]CC(=O)NC2CCCC2)CC1 ZINC000037249921 538962161 /nfs/dbraw/zinc/96/21/61/538962161.db2.gz SMFQRWZGXWTCEB-UHFFFAOYSA-N 2 2 239.363 0.729 20 0 BCADLP C[C@H]1CN(C)C[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000335605724 136236504 /nfs/dbraw/zinc/23/65/04/136236504.db2.gz GBXZXONWRDBNPX-JQWIXIFHSA-N 2 2 211.353 0.620 20 0 BCADLP C[NH2+]Cc1noc(C2(C[NH3+])CCCC2)n1 ZINC000583934153 342728418 /nfs/dbraw/zinc/72/84/18/342728418.db2.gz PPKISOWTPNQNNR-UHFFFAOYSA-N 2 2 210.281 0.560 20 0 BCADLP [NH3+]C[C@@H](NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000083565511 398283703 /nfs/dbraw/zinc/28/37/03/398283703.db2.gz HJODLLWATRDVFE-SNVBAGLBSA-N 2 2 222.292 0.127 20 0 BCADLP Cn1cc[nH+]c1-c1ccc(OC[C@@H](O)C[NH3+])cc1 ZINC000630053704 361923709 /nfs/dbraw/zinc/92/37/09/361923709.db2.gz YBMAQTSEHUKNBV-NSHDSACASA-N 2 2 247.298 0.786 20 0 BCADLP c1c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nn2c1CCC2 ZINC000649491707 398289825 /nfs/dbraw/zinc/28/98/25/398289825.db2.gz ZHCFXJZXMKHRAJ-PHIMTYICSA-N 2 2 232.331 0.481 20 0 BCADLP c1c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nn2c1CCC2 ZINC000649491707 398289827 /nfs/dbraw/zinc/28/98/27/398289827.db2.gz ZHCFXJZXMKHRAJ-PHIMTYICSA-N 2 2 232.331 0.481 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)O ZINC000380241915 538988008 /nfs/dbraw/zinc/98/80/08/538988008.db2.gz NJYXWMWZJUPUOP-GXSJLCMTSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)O ZINC000380241915 538988009 /nfs/dbraw/zinc/98/80/09/538988009.db2.gz NJYXWMWZJUPUOP-GXSJLCMTSA-N 2 2 212.337 0.830 20 0 BCADLP Cc1c[nH]nc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000380279688 538988313 /nfs/dbraw/zinc/98/83/13/538988313.db2.gz YRAURVBYUHNXOJ-UWVGGRQHSA-N 2 2 206.293 0.369 20 0 BCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCOC1 ZINC000449394289 398294265 /nfs/dbraw/zinc/29/42/65/398294265.db2.gz NNPUHOYIMCVFNT-CHWSQXEVSA-N 2 2 242.363 0.602 20 0 BCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCOC1 ZINC000449394289 398294269 /nfs/dbraw/zinc/29/42/69/398294269.db2.gz NNPUHOYIMCVFNT-CHWSQXEVSA-N 2 2 242.363 0.602 20 0 BCADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCOC2)C1 ZINC000449394786 398294734 /nfs/dbraw/zinc/29/47/34/398294734.db2.gz GRCBWHWCWXVWKQ-QWHCGFSZSA-N 2 2 242.363 0.602 20 0 BCADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCOC2)C1 ZINC000449394786 398294737 /nfs/dbraw/zinc/29/47/37/398294737.db2.gz GRCBWHWCWXVWKQ-QWHCGFSZSA-N 2 2 242.363 0.602 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCCn2cncn2)C[N@@H+]1C1CC1 ZINC000381882498 539007627 /nfs/dbraw/zinc/00/76/27/539007627.db2.gz HZPWSALYLTYDFP-NEPJUHHUSA-N 2 2 249.362 0.883 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCCn2cncn2)C[N@H+]1C1CC1 ZINC000381882498 539007629 /nfs/dbraw/zinc/00/76/29/539007629.db2.gz HZPWSALYLTYDFP-NEPJUHHUSA-N 2 2 249.362 0.883 20 0 BCADLP C=Cn1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000381198274 538996395 /nfs/dbraw/zinc/99/63/95/538996395.db2.gz AOCNDXGZINISNE-RYUDHWBXSA-N 2 2 218.304 0.635 20 0 BCADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1cn[nH]c1)CC2 ZINC000381444904 539000631 /nfs/dbraw/zinc/00/06/31/539000631.db2.gz FOAVJBKMIHGAIH-SNVBAGLBSA-N 2 2 217.276 0.711 20 0 BCADLP CC[NH+](CC)Cc1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000640753949 361992388 /nfs/dbraw/zinc/99/23/88/361992388.db2.gz FBOUPMDRIGHLRR-UHFFFAOYSA-N 2 2 234.307 0.891 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000335646862 136243899 /nfs/dbraw/zinc/24/38/99/136243899.db2.gz OWPJSGWXUXUHDW-QWRGUYRKSA-N 3 2 211.353 0.716 20 0 BCADLP COc1cncc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000625103456 342858635 /nfs/dbraw/zinc/85/86/35/342858635.db2.gz YQHHDINJZMHVLI-UWVGGRQHSA-N 2 2 234.303 0.136 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CCC[NH2+]CC1 ZINC000019431570 342948569 /nfs/dbraw/zinc/94/85/69/342948569.db2.gz RUGPPPIHMHBWRK-UHFFFAOYSA-N 2 2 222.292 0.095 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CCC[C@@H]1C[NH3+] ZINC000493730624 529550399 /nfs/dbraw/zinc/55/03/99/529550399.db2.gz WATORHKSTWUIKQ-MVIFTORASA-N 2 2 248.330 0.866 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)NC1CC[NH2+]CC1 ZINC000493181164 529552794 /nfs/dbraw/zinc/55/27/94/529552794.db2.gz AUAOZOFYVLMURX-ONEGZZNKSA-N 2 2 248.330 0.784 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)NCCCC[NH3+] ZINC000493679310 529554185 /nfs/dbraw/zinc/55/41/85/529554185.db2.gz ALHRWXUVHUYPKA-AATRIKPKSA-N 2 2 236.319 0.771 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CCC[NH2+]CC1 ZINC000493318752 529557390 /nfs/dbraw/zinc/55/73/90/529557390.db2.gz KKPNFSLNZCJNNA-PLNGDYQASA-N 2 2 248.330 0.738 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[C@@H]([NH3+])C1 ZINC000493817199 529557853 /nfs/dbraw/zinc/55/78/53/529557853.db2.gz HYLKNRNGWWCOMD-UMBAGQNISA-N 2 2 234.303 0.476 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[NH2+]C[C@@H]1C ZINC000493777282 529558191 /nfs/dbraw/zinc/55/81/91/529558191.db2.gz ALCHXVIICPBIJJ-WYGGZMRJSA-N 2 2 248.330 0.737 20 0 BCADLP [NH3+]CCOCC[N@H+](CC[NH3+])Cc1ccccc1 ZINC000357088133 187213276 /nfs/dbraw/zinc/21/32/76/187213276.db2.gz OEJOTELRUQPHND-UHFFFAOYSA-N 3 2 237.347 0.423 20 0 BCADLP [NH3+]CCOCC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000357088133 187213278 /nfs/dbraw/zinc/21/32/78/187213278.db2.gz OEJOTELRUQPHND-UHFFFAOYSA-N 3 2 237.347 0.423 20 0 BCADLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)C1C[NH2+]C1 ZINC000368165314 187221370 /nfs/dbraw/zinc/22/13/70/187221370.db2.gz FKUUHDCIZXJTNA-VIFPVBQESA-N 2 2 234.303 0.096 20 0 BCADLP OC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000370398465 187222518 /nfs/dbraw/zinc/22/25/18/187222518.db2.gz QCRDCDNXVASKPZ-VXGBXAGGSA-N 2 2 247.298 0.262 20 0 BCADLP OC[C@H]1C[C@@H](O)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000370398465 187222520 /nfs/dbraw/zinc/22/25/20/187222520.db2.gz QCRDCDNXVASKPZ-VXGBXAGGSA-N 2 2 247.298 0.262 20 0 BCADLP COCCOC[C@@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000576838982 365702116 /nfs/dbraw/zinc/70/21/16/365702116.db2.gz VOHADXOEHXCDJI-SNVBAGLBSA-N 2 2 241.335 0.870 20 0 BCADLP CC(C)[C@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000124563255 187232344 /nfs/dbraw/zinc/23/23/44/187232344.db2.gz FNDLIONLEBMXMY-LLVKDONJSA-N 2 2 240.351 0.593 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cnnn2C)C1 ZINC000347086927 136267537 /nfs/dbraw/zinc/26/75/37/136267537.db2.gz DEGVAVWTDTZUQN-JTQLQIEISA-N 2 2 223.324 0.247 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cnnn2C)C1 ZINC000347086927 136267538 /nfs/dbraw/zinc/26/75/38/136267538.db2.gz DEGVAVWTDTZUQN-JTQLQIEISA-N 2 2 223.324 0.247 20 0 BCADLP CN(C)c1[nH+]cccc1CNC(=O)C[NH2+]C1CC1 ZINC000237066007 343122258 /nfs/dbraw/zinc/12/22/58/343122258.db2.gz ZRVBDGGFLHFGOV-UHFFFAOYSA-N 2 2 248.330 0.516 20 0 BCADLP CC[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)[C@H](C)O ZINC000386866361 343133685 /nfs/dbraw/zinc/13/36/85/343133685.db2.gz KEWFQCXQQGSBNR-ONGXEEELSA-N 2 2 240.351 0.735 20 0 BCADLP Cn1cnnc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130969926 343182494 /nfs/dbraw/zinc/18/24/94/343182494.db2.gz QFXOAJRORSZRKZ-AXFHLTTASA-N 2 2 235.335 0.374 20 0 BCADLP Cn1cnnc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130969926 343182495 /nfs/dbraw/zinc/18/24/95/343182495.db2.gz QFXOAJRORSZRKZ-AXFHLTTASA-N 2 2 235.335 0.374 20 0 BCADLP C[N@H+](CCOCCO)Cc1c[nH+]c2n1CCC2 ZINC000668108847 488205219 /nfs/dbraw/zinc/20/52/19/488205219.db2.gz MQLXPICPGVIIJA-UHFFFAOYSA-N 2 2 239.319 0.270 20 0 BCADLP C[N@@H+](CCOCCO)Cc1c[nH+]c2n1CCC2 ZINC000668108847 488205222 /nfs/dbraw/zinc/20/52/22/488205222.db2.gz MQLXPICPGVIIJA-UHFFFAOYSA-N 2 2 239.319 0.270 20 0 BCADLP C[N@@H+]1CCN(C(=O)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000122558749 343160001 /nfs/dbraw/zinc/16/00/01/343160001.db2.gz DOZPRLWKBBQRIC-ZDUSSCGKSA-N 2 2 247.342 0.330 20 0 BCADLP C[N@H+]1CCN(C(=O)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000122558749 343160003 /nfs/dbraw/zinc/16/00/03/343160003.db2.gz DOZPRLWKBBQRIC-ZDUSSCGKSA-N 2 2 247.342 0.330 20 0 BCADLP C[NH2+][C@@H](C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000576956540 365732357 /nfs/dbraw/zinc/73/23/57/365732357.db2.gz DHFPEQUNLIQHHJ-JTQLQIEISA-N 2 2 236.319 0.655 20 0 BCADLP Cc1ccccc1C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000122632933 343160808 /nfs/dbraw/zinc/16/08/08/343160808.db2.gz OFBZVLCJNWTQED-GFCCVEGCSA-N 2 2 247.342 0.710 20 0 BCADLP Cc1ccccc1C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000122632933 343160809 /nfs/dbraw/zinc/16/08/09/343160809.db2.gz OFBZVLCJNWTQED-GFCCVEGCSA-N 2 2 247.342 0.710 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000124507775 343162716 /nfs/dbraw/zinc/16/27/16/343162716.db2.gz WYMWKYJJVOZWPN-SDDRHHMPSA-N 2 2 241.379 0.959 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000124507775 343162719 /nfs/dbraw/zinc/16/27/19/343162719.db2.gz WYMWKYJJVOZWPN-SDDRHHMPSA-N 2 2 241.379 0.959 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H](C)C(=O)NC(C)C)n1C ZINC000569709341 323038079 /nfs/dbraw/zinc/03/80/79/323038079.db2.gz BUPCYBKPFJQDAO-SECBINFHSA-N 2 2 238.335 0.731 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NC1CC1 ZINC000133597271 343191031 /nfs/dbraw/zinc/19/10/31/343191031.db2.gz WNCUZTMMGWPLRY-IUCAKERBSA-N 2 2 211.309 0.077 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NC1CC1 ZINC000133597271 343191034 /nfs/dbraw/zinc/19/10/34/343191034.db2.gz WNCUZTMMGWPLRY-IUCAKERBSA-N 2 2 211.309 0.077 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCC1CC1 ZINC000133599658 343191107 /nfs/dbraw/zinc/19/11/07/343191107.db2.gz SAJKGMBOXUSMKX-GXSJLCMTSA-N 2 2 225.336 0.324 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCC1CC1 ZINC000133599658 343191108 /nfs/dbraw/zinc/19/11/08/343191108.db2.gz SAJKGMBOXUSMKX-GXSJLCMTSA-N 2 2 225.336 0.324 20 0 BCADLP COc1c(N)[nH+]cnc1NCCn1cc[nH+]c1 ZINC000134844148 343191250 /nfs/dbraw/zinc/19/12/50/343191250.db2.gz IXALICDLJHGGSG-UHFFFAOYSA-N 2 2 234.263 0.376 20 0 BCADLP CC[C@@H](C)C[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000043802189 488209050 /nfs/dbraw/zinc/20/90/50/488209050.db2.gz KZHZAYMJBSYDJT-MNOVXSKESA-N 2 2 200.326 0.953 20 0 BCADLP CC[C@@H](C)C[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000043802189 488209052 /nfs/dbraw/zinc/20/90/52/488209052.db2.gz KZHZAYMJBSYDJT-MNOVXSKESA-N 2 2 200.326 0.953 20 0 BCADLP CCOC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000043802497 488208357 /nfs/dbraw/zinc/20/83/57/488208357.db2.gz RZYUNCCKZNSUOE-LBPRGKRZSA-N 2 2 228.336 0.476 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000228173121 136278455 /nfs/dbraw/zinc/27/84/55/136278455.db2.gz XIMMDOKLZQASOD-CMPLNLGQSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000228173121 136278456 /nfs/dbraw/zinc/27/84/56/136278456.db2.gz XIMMDOKLZQASOD-CMPLNLGQSA-N 2 2 223.320 0.894 20 0 BCADLP CCC[C@@H]([NH3+])c1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641035699 362147456 /nfs/dbraw/zinc/14/74/56/362147456.db2.gz VTKSWFIDWMHHLO-SECBINFHSA-N 2 2 220.280 0.849 20 0 BCADLP Cn1c[nH+]cc1Cn1cc(C[NH+]2CCCC2)nn1 ZINC000641037743 362149782 /nfs/dbraw/zinc/14/97/82/362149782.db2.gz FEQXYQUJHZKFLP-UHFFFAOYSA-N 2 2 246.318 0.656 20 0 BCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1[nH]cc[nH+]1 ZINC000070646704 343337860 /nfs/dbraw/zinc/33/78/60/343337860.db2.gz IDNNENMRCGLFRJ-APPZFPTMSA-N 2 2 210.281 0.399 20 0 BCADLP CC(C)C[C@@H]([NH3+])C(=O)NCc1[nH]cc[nH+]1 ZINC000070646675 343337958 /nfs/dbraw/zinc/33/79/58/343337958.db2.gz CHQXBINMFKZZJP-MRVPVSSYSA-N 2 2 210.281 0.399 20 0 BCADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1[nH]cc[nH+]1 ZINC000070646713 343338015 /nfs/dbraw/zinc/33/80/15/343338015.db2.gz IDNNENMRCGLFRJ-VXNVDRBHSA-N 2 2 210.281 0.399 20 0 BCADLP CCC[C@](C)([NH3+])C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000037621626 343349762 /nfs/dbraw/zinc/34/97/62/343349762.db2.gz CTVWITCYDLSTCQ-PWSUYJOCSA-N 2 2 238.335 0.905 20 0 BCADLP Cc1cc[nH+]cc1Cn1cc(CCC[NH3+])nn1 ZINC000641070568 362179656 /nfs/dbraw/zinc/17/96/56/362179656.db2.gz HOGPNCJEXVYLIS-UHFFFAOYSA-N 2 2 231.303 0.921 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000335677353 136319211 /nfs/dbraw/zinc/31/92/11/136319211.db2.gz LMJACIZRSHUQJC-GHMZBOCLSA-N 2 2 222.336 0.947 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000335677353 136319212 /nfs/dbraw/zinc/31/92/12/136319212.db2.gz LMJACIZRSHUQJC-GHMZBOCLSA-N 2 2 222.336 0.947 20 0 BCADLP Cc1cc[nH+]cc1Cn1cc(CC[NH3+])nn1 ZINC000641070646 362179850 /nfs/dbraw/zinc/17/98/50/362179850.db2.gz JAIDAGCBJYDNNF-UHFFFAOYSA-N 2 2 217.276 0.531 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CC1([NH3+])CC1 ZINC000398160170 488213574 /nfs/dbraw/zinc/21/35/74/488213574.db2.gz KKNGAOHJYLCZMF-SECBINFHSA-N 2 2 222.292 0.269 20 0 BCADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NCC1CC1 ZINC000261542470 136374540 /nfs/dbraw/zinc/37/45/40/136374540.db2.gz CGLFVILNLJTRBY-VXGBXAGGSA-N 2 2 237.347 0.196 20 0 BCADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NCC1CC1 ZINC000261542470 136374541 /nfs/dbraw/zinc/37/45/41/136374541.db2.gz CGLFVILNLJTRBY-VXGBXAGGSA-N 2 2 237.347 0.196 20 0 BCADLP C[C@@H]1CN(Cc2[nH+]ccn2C)[C@@H](C)C[NH2+]1 ZINC000083086102 343476104 /nfs/dbraw/zinc/47/61/04/343476104.db2.gz UCVGIEWVGFEIOU-ZJUUUORDSA-N 2 2 208.309 0.602 20 0 BCADLP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000310564997 343537892 /nfs/dbraw/zinc/53/78/92/343537892.db2.gz XCYLXCRGNZBMOJ-XQQFMLRXSA-N 2 2 244.379 0.798 20 0 BCADLP CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000310564997 343537894 /nfs/dbraw/zinc/53/78/94/343537894.db2.gz XCYLXCRGNZBMOJ-XQQFMLRXSA-N 2 2 244.379 0.798 20 0 BCADLP CC[C@@H]1CO[C@@H](C)C[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000310564997 343537895 /nfs/dbraw/zinc/53/78/95/343537895.db2.gz XCYLXCRGNZBMOJ-XQQFMLRXSA-N 2 2 244.379 0.798 20 0 BCADLP CC[C@@H]1CO[C@@H](C)C[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000310564997 343537896 /nfs/dbraw/zinc/53/78/96/343537896.db2.gz XCYLXCRGNZBMOJ-XQQFMLRXSA-N 2 2 244.379 0.798 20 0 BCADLP C[C@H]1C[C@H](C)[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000335868401 344036007 /nfs/dbraw/zinc/03/60/07/344036007.db2.gz ACXLKFKPGSDTKK-RYUDHWBXSA-N 2 2 239.363 0.491 20 0 BCADLP C[C@H]1C[C@H](C)[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000335868401 344036010 /nfs/dbraw/zinc/03/60/10/344036010.db2.gz ACXLKFKPGSDTKK-RYUDHWBXSA-N 2 2 239.363 0.491 20 0 BCADLP C[NH2+]C(C)(C)c1cn(Cc2ccc[nH+]c2N)nn1 ZINC000641165591 362249196 /nfs/dbraw/zinc/24/91/96/362249196.db2.gz GQEQFNHAAURQLI-UHFFFAOYSA-N 2 2 246.318 0.758 20 0 BCADLP CC(C)[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC000570282133 323054935 /nfs/dbraw/zinc/05/49/35/323054935.db2.gz DWEAWIDISZALOS-UHFFFAOYSA-N 2 2 238.335 0.778 20 0 BCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cncc(F)c2)C1 ZINC000494475221 529800931 /nfs/dbraw/zinc/80/09/31/529800931.db2.gz SDJWLPNQXCKPHH-GFCCVEGCSA-N 2 2 239.294 0.377 20 0 BCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cncc(F)c2)C1 ZINC000494475221 529800932 /nfs/dbraw/zinc/80/09/32/529800932.db2.gz SDJWLPNQXCKPHH-GFCCVEGCSA-N 2 2 239.294 0.377 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2nc[nH]c2C1 ZINC000625435207 343736543 /nfs/dbraw/zinc/73/65/43/343736543.db2.gz OHRHPLJISIUKLW-UHFFFAOYSA-N 2 2 231.303 0.744 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCc2nc[nH]c2C1 ZINC000625435207 343736545 /nfs/dbraw/zinc/73/65/45/343736545.db2.gz OHRHPLJISIUKLW-UHFFFAOYSA-N 2 2 231.303 0.744 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625435207 343736547 /nfs/dbraw/zinc/73/65/47/343736547.db2.gz OHRHPLJISIUKLW-UHFFFAOYSA-N 3 2 231.303 0.744 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625435207 343736550 /nfs/dbraw/zinc/73/65/50/343736550.db2.gz OHRHPLJISIUKLW-UHFFFAOYSA-N 3 2 231.303 0.744 20 0 BCADLP C[N@H+]1C[C@H]2CN(C(=O)/C=C/c3[nH]cc[nH+]3)C[C@H]2C1 ZINC000493575360 529823500 /nfs/dbraw/zinc/82/35/00/529823500.db2.gz BWJQYKZASKODAW-GOYQAJIHSA-N 2 2 246.314 0.443 20 0 BCADLP C[N@@H+]1C[C@H]2CN(C(=O)/C=C/c3[nH]cc[nH+]3)C[C@H]2C1 ZINC000493575360 529823501 /nfs/dbraw/zinc/82/35/01/529823501.db2.gz BWJQYKZASKODAW-GOYQAJIHSA-N 2 2 246.314 0.443 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625438886 343740725 /nfs/dbraw/zinc/74/07/25/343740725.db2.gz USMHWFXLWUMMAA-UHFFFAOYSA-N 2 2 236.319 0.636 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625438886 343740726 /nfs/dbraw/zinc/74/07/26/343740726.db2.gz USMHWFXLWUMMAA-UHFFFAOYSA-N 2 2 236.319 0.636 20 0 BCADLP C[NH2+]C[C@@H](C)C(=O)NCCNc1cccc[nH+]1 ZINC000577059515 365798153 /nfs/dbraw/zinc/79/81/53/365798153.db2.gz UYHJRJDBCWQQDW-SNVBAGLBSA-N 2 2 236.319 0.465 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000291559544 187348334 /nfs/dbraw/zinc/34/83/34/187348334.db2.gz WQXBCWZVZNEUSS-LLVKDONJSA-N 2 2 238.335 0.728 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000291559544 187348335 /nfs/dbraw/zinc/34/83/35/187348335.db2.gz WQXBCWZVZNEUSS-LLVKDONJSA-N 2 2 238.335 0.728 20 0 BCADLP CC[C@@H](CCO)[NH2+]Cc1c[nH+]c(C)n1C ZINC000570463986 323060203 /nfs/dbraw/zinc/06/02/03/323060203.db2.gz JGTIYEPLBKTNIB-JTQLQIEISA-N 2 2 211.309 0.979 20 0 BCADLP CCn1cc(CC[N@H+](C)[C@H](C)C[NH3+])cn1 ZINC000621774439 343897547 /nfs/dbraw/zinc/89/75/47/343897547.db2.gz UIVCGLMDRQLVLB-SNVBAGLBSA-N 2 2 210.325 0.725 20 0 BCADLP CCn1cc(CC[N@@H+](C)[C@H](C)C[NH3+])cn1 ZINC000621774439 343897550 /nfs/dbraw/zinc/89/75/50/343897550.db2.gz UIVCGLMDRQLVLB-SNVBAGLBSA-N 2 2 210.325 0.725 20 0 BCADLP CN(C(=O)C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1)C1CC1 ZINC000621782534 343906082 /nfs/dbraw/zinc/90/60/82/343906082.db2.gz QDOXPOPWATVSOJ-MFKMUULPSA-N 2 2 237.347 0.420 20 0 BCADLP CN(C(=O)C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1)C1CC1 ZINC000621782534 343906084 /nfs/dbraw/zinc/90/60/84/343906084.db2.gz QDOXPOPWATVSOJ-MFKMUULPSA-N 2 2 237.347 0.420 20 0 BCADLP c1cn(Cc2cn(CC3CC[NH2+]CC3)nn2)c[nH+]1 ZINC000641233746 362285905 /nfs/dbraw/zinc/28/59/05/362285905.db2.gz XTSCGKQJWUFCCI-UHFFFAOYSA-N 2 2 246.318 0.523 20 0 BCADLP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493438245 529954080 /nfs/dbraw/zinc/95/40/80/529954080.db2.gz XNSIDGMEISSCIP-PGLGOXFNSA-N 2 2 248.330 0.833 20 0 BCADLP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493438245 529954082 /nfs/dbraw/zinc/95/40/82/529954082.db2.gz XNSIDGMEISSCIP-PGLGOXFNSA-N 2 2 248.330 0.833 20 0 BCADLP C[N@@H+]1CCOC[C@@H]1CNc1[nH]c2ccccc2[nH+]1 ZINC000624619922 344106410 /nfs/dbraw/zinc/10/64/10/344106410.db2.gz PULSPOFIFNLTPT-JTQLQIEISA-N 2 2 246.314 0.727 20 0 BCADLP C[N@H+]1CCOC[C@@H]1CNc1[nH]c2ccccc2[nH+]1 ZINC000624619922 344106412 /nfs/dbraw/zinc/10/64/12/344106412.db2.gz PULSPOFIFNLTPT-JTQLQIEISA-N 2 2 246.314 0.727 20 0 BCADLP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCCNC3=O)C2)C1 ZINC000335919067 344086843 /nfs/dbraw/zinc/08/68/43/344086843.db2.gz JMSNNJNSAVCJAK-DGCLKSJQSA-N 2 2 237.347 0.293 20 0 BCADLP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCCNC3=O)C2)C1 ZINC000335919067 344086844 /nfs/dbraw/zinc/08/68/44/344086844.db2.gz JMSNNJNSAVCJAK-DGCLKSJQSA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCCNC3=O)C2)C1 ZINC000335919067 344086845 /nfs/dbraw/zinc/08/68/45/344086845.db2.gz JMSNNJNSAVCJAK-DGCLKSJQSA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCCNC3=O)C2)C1 ZINC000335919067 344086847 /nfs/dbraw/zinc/08/68/47/344086847.db2.gz JMSNNJNSAVCJAK-DGCLKSJQSA-N 2 2 237.347 0.293 20 0 BCADLP CC(C)(C)[NH2+]CC[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634735502 344121822 /nfs/dbraw/zinc/12/18/22/344121822.db2.gz IUZDLRGGXLDOQW-PHIMTYICSA-N 2 2 212.337 0.953 20 0 BCADLP CC(C)(C)[NH2+]CC[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634735502 344121823 /nfs/dbraw/zinc/12/18/23/344121823.db2.gz IUZDLRGGXLDOQW-PHIMTYICSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@H]([NH3+])CC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000622044974 344229310 /nfs/dbraw/zinc/22/93/10/344229310.db2.gz YZDLLPWKMBKROS-GARJFASQSA-N 3 2 215.341 0.080 20 0 BCADLP Cc1cc(NC(=O)N[C@@H]2CC[NH2+]C2)c(C)c[nH+]1 ZINC000625874004 344275654 /nfs/dbraw/zinc/27/56/54/344275654.db2.gz LXPYOGVINBEAMZ-SNVBAGLBSA-N 2 2 234.303 0.604 20 0 BCADLP C[N@H+](CCN1CCCC1=O)CC(C)(C)[NH3+] ZINC000309389031 347046302 /nfs/dbraw/zinc/04/63/02/347046302.db2.gz FLFDBKPMVIEZJT-UHFFFAOYSA-N 2 2 213.325 0.278 20 0 BCADLP C[N@@H+](CCN1CCCC1=O)CC(C)(C)[NH3+] ZINC000309389031 347046306 /nfs/dbraw/zinc/04/63/06/347046306.db2.gz FLFDBKPMVIEZJT-UHFFFAOYSA-N 2 2 213.325 0.278 20 0 BCADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCc1ccnn1C ZINC000385181556 344366878 /nfs/dbraw/zinc/36/68/78/344366878.db2.gz IYTAFNDFMBSZKM-UWVGGRQHSA-N 2 2 208.309 0.384 20 0 BCADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCc1ccnn1C ZINC000385181556 344366879 /nfs/dbraw/zinc/36/68/79/344366879.db2.gz IYTAFNDFMBSZKM-UWVGGRQHSA-N 2 2 208.309 0.384 20 0 BCADLP COC(=O)c1cc(C[NH2+][C@@H]2CC[NH2+]C2)c[nH]1 ZINC000600682530 344358577 /nfs/dbraw/zinc/35/85/77/344358577.db2.gz PCCJPDJOWZZDEX-SECBINFHSA-N 2 2 223.276 0.253 20 0 BCADLP COC(=O)CCCC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000600704821 344360467 /nfs/dbraw/zinc/36/04/67/344360467.db2.gz QFUXDNJALMIYGL-WDEREUQCSA-N 2 2 244.335 0.378 20 0 BCADLP COC(=O)CCCC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000600704821 344360469 /nfs/dbraw/zinc/36/04/69/344360469.db2.gz QFUXDNJALMIYGL-WDEREUQCSA-N 2 2 244.335 0.378 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+](C)CCOCC[NH2+]C ZINC000600725568 344363699 /nfs/dbraw/zinc/36/36/99/344363699.db2.gz FLOLVBXIWXCGKL-JTQLQIEISA-N 2 2 232.324 0.106 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+](C)CCOCC[NH2+]C ZINC000600725568 344363700 /nfs/dbraw/zinc/36/37/00/344363700.db2.gz FLOLVBXIWXCGKL-JTQLQIEISA-N 2 2 232.324 0.106 20 0 BCADLP Cc1cc(N2CC[N@@H+](C)C[C@H]2CO)nc(C)[nH+]1 ZINC000634801895 344385307 /nfs/dbraw/zinc/38/53/07/344385307.db2.gz POIOZBPUKPWIMI-NSHDSACASA-N 2 2 236.319 0.206 20 0 BCADLP Cc1cc(N2CC[N@H+](C)C[C@H]2CO)nc(C)[nH+]1 ZINC000634801895 344385309 /nfs/dbraw/zinc/38/53/09/344385309.db2.gz POIOZBPUKPWIMI-NSHDSACASA-N 2 2 236.319 0.206 20 0 BCADLP c1nc(NC2CC[NH2+]CC2)c2c([nH+]1)NCCO2 ZINC000634807560 344392018 /nfs/dbraw/zinc/39/20/18/344392018.db2.gz SIRXQMFOCRAJFU-UHFFFAOYSA-N 2 2 235.291 0.445 20 0 BCADLP c1nc2c(c(NC3CC[NH2+]CC3)[nH+]1)OCCN2 ZINC000634807560 344392020 /nfs/dbraw/zinc/39/20/20/344392020.db2.gz SIRXQMFOCRAJFU-UHFFFAOYSA-N 2 2 235.291 0.445 20 0 BCADLP [NH3+][C@@H]1CCCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000634807701 344392566 /nfs/dbraw/zinc/39/25/66/344392566.db2.gz XVSXHMUQANDPES-MRVPVSSYSA-N 2 2 235.291 0.208 20 0 BCADLP C[C@H]1C[C@H](Nc2nc[nH+]c3c2OCCN3)CC[NH2+]1 ZINC000634808478 344393092 /nfs/dbraw/zinc/39/30/92/344393092.db2.gz UQGUQRKRLMKLRB-DTWKUNHWSA-N 2 2 249.318 0.833 20 0 BCADLP C[C@H]1C[C@H](Nc2[nH+]cnc3c2OCCN3)CC[NH2+]1 ZINC000634808478 344393094 /nfs/dbraw/zinc/39/30/94/344393094.db2.gz UQGUQRKRLMKLRB-DTWKUNHWSA-N 2 2 249.318 0.833 20 0 BCADLP C[NH2+]C1CCN(c2nc[nH+]c(C)c2OC)CC1 ZINC000634808085 344393213 /nfs/dbraw/zinc/39/32/13/344393213.db2.gz IZVLBAINUUPPDJ-UHFFFAOYSA-N 2 2 236.319 0.982 20 0 BCADLP C[C@@H]1C[C@@H](Nc2nc[nH+]c3c2OCCN3)CC[NH2+]1 ZINC000634808477 344393375 /nfs/dbraw/zinc/39/33/75/344393375.db2.gz UQGUQRKRLMKLRB-BDAKNGLRSA-N 2 2 249.318 0.833 20 0 BCADLP C[C@@H]1C[C@@H](Nc2[nH+]cnc3c2OCCN3)CC[NH2+]1 ZINC000634808477 344393376 /nfs/dbraw/zinc/39/33/76/344393376.db2.gz UQGUQRKRLMKLRB-BDAKNGLRSA-N 2 2 249.318 0.833 20 0 BCADLP C[NH2+]C1CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000634807875 344394259 /nfs/dbraw/zinc/39/42/59/344394259.db2.gz DDQNHZCUTKOCSF-UHFFFAOYSA-N 2 2 241.726 0.900 20 0 BCADLP C[NH2+]C1CCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000634807875 344394261 /nfs/dbraw/zinc/39/42/61/344394261.db2.gz DDQNHZCUTKOCSF-UHFFFAOYSA-N 2 2 241.726 0.900 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)Nc1cc(-n2cc[nH+]c2)ncn1 ZINC000634810022 344394490 /nfs/dbraw/zinc/39/44/90/344394490.db2.gz JHDLCTWCHUNDSS-BDAKNGLRSA-N 2 2 232.291 0.810 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@H]1CCC[NH2+]CC1 ZINC000634813491 344398767 /nfs/dbraw/zinc/39/87/67/344398767.db2.gz NDJLTDPFQXFXSQ-QMMMGPOBSA-N 2 2 237.307 0.621 20 0 BCADLP COc1c(N)nc[nH+]c1N[C@H]1CCC[NH2+]CC1 ZINC000634813491 344398769 /nfs/dbraw/zinc/39/87/69/344398769.db2.gz NDJLTDPFQXFXSQ-QMMMGPOBSA-N 2 2 237.307 0.621 20 0 BCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000600952704 344401697 /nfs/dbraw/zinc/40/16/97/344401697.db2.gz CMAJNBHLSFSLPH-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000600952704 344401699 /nfs/dbraw/zinc/40/16/99/344401699.db2.gz CMAJNBHLSFSLPH-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP c1c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc2ccccn12 ZINC000107579166 344484557 /nfs/dbraw/zinc/48/45/57/344484557.db2.gz ZYYLHAFHUKSDPY-TXEJJXNPSA-N 2 2 242.326 0.986 20 0 BCADLP c1c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc2ccccn12 ZINC000107579166 344484559 /nfs/dbraw/zinc/48/45/59/344484559.db2.gz ZYYLHAFHUKSDPY-TXEJJXNPSA-N 2 2 242.326 0.986 20 0 BCADLP C[C@H]([NH2+]CC(=O)NCC1CC1)[C@@H]1CCC[NH2+]1 ZINC000400327617 344486486 /nfs/dbraw/zinc/48/64/86/344486486.db2.gz FAYVVVHGJLVNDY-ONGXEEELSA-N 2 2 225.336 0.243 20 0 BCADLP Cc1nc(N2C[C@H]3C[NH2+]C[C@@H]3C2)cc[nH+]1 ZINC000085283642 344516334 /nfs/dbraw/zinc/51/63/34/344516334.db2.gz JTELSVJAXBNTAB-NXEZZACHSA-N 2 2 204.277 0.441 20 0 BCADLP Cc1nc(N2C[C@@H]3C[NH2+]C[C@H]3C2)cc[nH+]1 ZINC000085283644 344516547 /nfs/dbraw/zinc/51/65/47/344516547.db2.gz JTELSVJAXBNTAB-UWVGGRQHSA-N 2 2 204.277 0.441 20 0 BCADLP C[C@H]1CN(c2cc[nH+]cc2F)CC[N@@H+]1CCO ZINC000641505268 362468084 /nfs/dbraw/zinc/46/80/84/362468084.db2.gz YEDJPSXCMCOGCB-JTQLQIEISA-N 2 2 239.294 0.724 20 0 BCADLP C[C@H]1CN(c2cc[nH+]cc2F)CC[N@H+]1CCO ZINC000641505268 362468087 /nfs/dbraw/zinc/46/80/87/362468087.db2.gz YEDJPSXCMCOGCB-JTQLQIEISA-N 2 2 239.294 0.724 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000082304296 344730362 /nfs/dbraw/zinc/73/03/62/344730362.db2.gz WJRNMEMGFWZSGQ-LBPRGKRZSA-N 2 2 239.363 0.635 20 0 BCADLP CSCC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166123644 344742491 /nfs/dbraw/zinc/74/24/91/344742491.db2.gz MFGDCQFXNVLWGI-NXEZZACHSA-N 2 2 218.366 0.706 20 0 BCADLP C[N@@H+]1CCN(C(=O)/C=C\C2CC2)[C@H](C[NH3+])C1 ZINC000493352548 530065968 /nfs/dbraw/zinc/06/59/68/530065968.db2.gz MXMKQALNXQQPIZ-DOGVGXBMSA-N 2 2 223.320 0.054 20 0 BCADLP C[N@H+]1CCN(C(=O)/C=C\C2CC2)[C@H](C[NH3+])C1 ZINC000493352548 530065969 /nfs/dbraw/zinc/06/59/69/530065969.db2.gz MXMKQALNXQQPIZ-DOGVGXBMSA-N 2 2 223.320 0.054 20 0 BCADLP C[NH+]1CCC(CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492807033 530049179 /nfs/dbraw/zinc/04/91/79/530049179.db2.gz ATVQXIISCLUUOR-IHWYPQMZSA-N 2 2 248.330 0.881 20 0 BCADLP C[N@@H+]1CCC[C@@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492812986 530055099 /nfs/dbraw/zinc/05/50/99/530055099.db2.gz OEIHGVQKGLSAEX-WYGGZMRJSA-N 2 2 248.330 0.881 20 0 BCADLP C[N@H+]1CCC[C@@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492812986 530055100 /nfs/dbraw/zinc/05/51/00/530055100.db2.gz OEIHGVQKGLSAEX-WYGGZMRJSA-N 2 2 248.330 0.881 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000400543079 530070628 /nfs/dbraw/zinc/07/06/28/530070628.db2.gz GKBUIZOZRJTQLC-OLZOCXBDSA-N 2 2 241.379 0.248 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000400543079 530070629 /nfs/dbraw/zinc/07/06/29/530070629.db2.gz GKBUIZOZRJTQLC-OLZOCXBDSA-N 2 2 241.379 0.248 20 0 BCADLP C[NH+]1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC000078422437 344865495 /nfs/dbraw/zinc/86/54/95/344865495.db2.gz AMSGCIALEYXCFT-UHFFFAOYSA-N 2 2 236.319 0.484 20 0 BCADLP Cc1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)on1 ZINC000631113502 344923065 /nfs/dbraw/zinc/92/30/65/344923065.db2.gz YQSLXGHAZHHEDD-LLVKDONJSA-N 2 2 225.292 0.139 20 0 BCADLP Cc1ccccc1C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000122632619 344966076 /nfs/dbraw/zinc/96/60/76/344966076.db2.gz OFBZVLCJNWTQED-LBPRGKRZSA-N 2 2 247.342 0.710 20 0 BCADLP Cc1ccccc1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000122632619 344966078 /nfs/dbraw/zinc/96/60/78/344966078.db2.gz OFBZVLCJNWTQED-LBPRGKRZSA-N 2 2 247.342 0.710 20 0 BCADLP Cc1[nH]c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)[nH+]c1C ZINC000628191876 344946021 /nfs/dbraw/zinc/94/60/21/344946021.db2.gz YBQKEGYCHWGUCL-QWRGUYRKSA-N 2 2 220.320 0.678 20 0 BCADLP COCCCOCC[N@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634993216 345189675 /nfs/dbraw/zinc/18/96/75/345189675.db2.gz NRVUXOYZXMOKML-UHFFFAOYSA-N 2 2 242.363 0.723 20 0 BCADLP COCCCOCC[N@@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634993216 345189679 /nfs/dbraw/zinc/18/96/79/345189679.db2.gz NRVUXOYZXMOKML-UHFFFAOYSA-N 2 2 242.363 0.723 20 0 BCADLP C[NH+](C)C1(C[NH2+][C@H]2CCNC(=O)CC2)CC1 ZINC000634984033 345167653 /nfs/dbraw/zinc/16/76/53/345167653.db2.gz FLHFFUYHWMBBMB-SNVBAGLBSA-N 2 2 225.336 0.339 20 0 BCADLP C[C@H](O)C[C@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993375 345189807 /nfs/dbraw/zinc/18/98/07/345189807.db2.gz SFFPEMOQDDLLHU-GMKTYKIGSA-N 2 2 224.348 0.974 20 0 BCADLP C[C@H](O)C[C@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993375 345189808 /nfs/dbraw/zinc/18/98/08/345189808.db2.gz SFFPEMOQDDLLHU-GMKTYKIGSA-N 2 2 224.348 0.974 20 0 BCADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC34CC(C3)C[NH2+]4)C[C@H]21 ZINC000634991691 345178283 /nfs/dbraw/zinc/17/82/83/345178283.db2.gz OBWPURSSIWWJQS-XLICRZQSSA-N 3 2 235.375 0.798 20 0 BCADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC34CC(C3)C[NH2+]4)C[C@H]21 ZINC000634991691 345178284 /nfs/dbraw/zinc/17/82/84/345178284.db2.gz OBWPURSSIWWJQS-XLICRZQSSA-N 3 2 235.375 0.798 20 0 BCADLP CCOCCOCC[N@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634994708 345182609 /nfs/dbraw/zinc/18/26/09/345182609.db2.gz KZPDHMURHJOJOH-UHFFFAOYSA-N 2 2 242.363 0.723 20 0 BCADLP CCOCCOCC[N@@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634994708 345182612 /nfs/dbraw/zinc/18/26/12/345182612.db2.gz KZPDHMURHJOJOH-UHFFFAOYSA-N 2 2 242.363 0.723 20 0 BCADLP COCC[N@H+](CC12CC(C1)C[NH2+]2)[C@H]1CCOC1 ZINC000634994749 345182862 /nfs/dbraw/zinc/18/28/62/345182862.db2.gz LZYBXDRWCVHQKA-CPCZMJQVSA-N 2 2 240.347 0.476 20 0 BCADLP COCC[N@@H+](CC12CC(C1)C[NH2+]2)[C@H]1CCOC1 ZINC000634994749 345182866 /nfs/dbraw/zinc/18/28/66/345182866.db2.gz LZYBXDRWCVHQKA-CPCZMJQVSA-N 2 2 240.347 0.476 20 0 BCADLP CNC(=O)[C@]1(C)CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634995172 345183338 /nfs/dbraw/zinc/18/33/38/345183338.db2.gz XLBKSFPPNYHFFJ-YXMLORGKSA-N 2 2 237.347 0.196 20 0 BCADLP CNC(=O)[C@]1(C)CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634995172 345183342 /nfs/dbraw/zinc/18/33/42/345183342.db2.gz XLBKSFPPNYHFFJ-YXMLORGKSA-N 2 2 237.347 0.196 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000634994982 345183514 /nfs/dbraw/zinc/18/35/14/345183514.db2.gz RKVUFJCNWBJHQH-XQQFMLRXSA-N 3 2 225.380 0.901 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000634994982 345183516 /nfs/dbraw/zinc/18/35/16/345183516.db2.gz RKVUFJCNWBJHQH-XQQFMLRXSA-N 3 2 225.380 0.901 20 0 BCADLP [NH3+]CC1(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000634995333 345184421 /nfs/dbraw/zinc/18/44/21/345184421.db2.gz AXYJPDGUNCBUML-LLVKDONJSA-N 3 2 223.364 0.990 20 0 BCADLP [NH3+]CC1(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000634995334 345184484 /nfs/dbraw/zinc/18/44/84/345184484.db2.gz AXYJPDGUNCBUML-NSHDSACASA-N 3 2 223.364 0.990 20 0 BCADLP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000634995374 345184501 /nfs/dbraw/zinc/18/45/01/345184501.db2.gz CDVXRNONTAVGPL-IJLUTSLNSA-N 3 2 213.369 0.947 20 0 BCADLP CC[N@H+](CC[NH2+][C@@H]1CCNC(=O)CC1)C1CC1 ZINC000634958598 345132599 /nfs/dbraw/zinc/13/25/99/345132599.db2.gz UVHSARQOUYFZRI-NSHDSACASA-N 2 2 239.363 0.729 20 0 BCADLP CC[N@@H+](CC[NH2+][C@@H]1CCNC(=O)CC1)C1CC1 ZINC000634958598 345132600 /nfs/dbraw/zinc/13/26/00/345132600.db2.gz UVHSARQOUYFZRI-NSHDSACASA-N 2 2 239.363 0.729 20 0 BCADLP C[C@@H](C[NH2+][C@@H]1CCNC(=O)CC1)[N@H+](C)C1CC1 ZINC000634959794 345132875 /nfs/dbraw/zinc/13/28/75/345132875.db2.gz BBWIBZCZTIWODA-QWRGUYRKSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@@H](C[NH2+][C@@H]1CCNC(=O)CC1)[N@@H+](C)C1CC1 ZINC000634959794 345132877 /nfs/dbraw/zinc/13/28/77/345132877.db2.gz BBWIBZCZTIWODA-QWRGUYRKSA-N 2 2 239.363 0.727 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000634994332 345193382 /nfs/dbraw/zinc/19/33/82/345193382.db2.gz ZLCIBMJFNQRSMX-UPJWGTAASA-N 3 2 225.380 0.901 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000634994332 345193385 /nfs/dbraw/zinc/19/33/85/345193385.db2.gz ZLCIBMJFNQRSMX-UPJWGTAASA-N 3 2 225.380 0.901 20 0 BCADLP CC(C)[NH+]1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635240329 345281474 /nfs/dbraw/zinc/28/14/74/345281474.db2.gz DQQLIJNRJCMPDI-LLVKDONJSA-N 2 2 227.352 0.489 20 0 BCADLP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635506372 345405476 /nfs/dbraw/zinc/40/54/76/345405476.db2.gz BPTZWZPILAHODA-HBNTYKKESA-N 2 2 248.330 0.724 20 0 BCADLP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635506372 345405484 /nfs/dbraw/zinc/40/54/84/345405484.db2.gz BPTZWZPILAHODA-HBNTYKKESA-N 2 2 248.330 0.724 20 0 BCADLP C[C@H](C[NH+](C)C)[NH2+]C[C@@H]1CCCOC1 ZINC000159080768 345405608 /nfs/dbraw/zinc/40/56/08/345405608.db2.gz JINOUDXBCAVLMM-MNOVXSKESA-N 2 2 200.326 0.953 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961794 345455419 /nfs/dbraw/zinc/45/54/19/345455419.db2.gz DXZBIPQQZQBSHQ-VHSXEESVSA-N 2 2 236.319 0.853 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961794 345455421 /nfs/dbraw/zinc/45/54/21/345455421.db2.gz DXZBIPQQZQBSHQ-VHSXEESVSA-N 2 2 236.319 0.853 20 0 BCADLP CN1CC[C@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000080969295 345456597 /nfs/dbraw/zinc/45/65/97/345456597.db2.gz IIEGBTXHXPFELP-QWRGUYRKSA-N 2 2 248.330 0.820 20 0 BCADLP CN1CC[C@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000080969295 345456599 /nfs/dbraw/zinc/45/65/99/345456599.db2.gz IIEGBTXHXPFELP-QWRGUYRKSA-N 2 2 248.330 0.820 20 0 BCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000635546008 345573826 /nfs/dbraw/zinc/57/38/26/345573826.db2.gz MTUXNCMZQKIDAD-JTQLQIEISA-N 2 2 236.319 0.553 20 0 BCADLP C[N@H+]1CCCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000635546008 345573828 /nfs/dbraw/zinc/57/38/28/345573828.db2.gz MTUXNCMZQKIDAD-JTQLQIEISA-N 2 2 236.319 0.553 20 0 BCADLP COC[C@@H](O)C[NH2+]CCCCn1cc[nH+]c1 ZINC000068891940 349930987 /nfs/dbraw/zinc/93/09/87/349930987.db2.gz BYIIKAWBNHUNFU-NSHDSACASA-N 2 2 227.308 0.260 20 0 BCADLP CCOC[C@@H](O)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000068951860 349932495 /nfs/dbraw/zinc/93/24/95/349932495.db2.gz YZULZPUCWQUODG-QWRGUYRKSA-N 2 2 227.308 0.259 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626139863 345633147 /nfs/dbraw/zinc/63/31/47/345633147.db2.gz CKLVBQNSDYYJGK-CYZMBNFOSA-N 2 2 235.331 0.808 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626139863 345633148 /nfs/dbraw/zinc/63/31/48/345633148.db2.gz CKLVBQNSDYYJGK-CYZMBNFOSA-N 2 2 235.331 0.808 20 0 BCADLP Cn1ncnc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252861814 345583641 /nfs/dbraw/zinc/58/36/41/345583641.db2.gz NQEFFVWWGCAVSM-DCAQKATOSA-N 2 2 235.335 0.374 20 0 BCADLP Cn1ncnc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252861814 345583642 /nfs/dbraw/zinc/58/36/42/345583642.db2.gz NQEFFVWWGCAVSM-DCAQKATOSA-N 2 2 235.335 0.374 20 0 BCADLP CC(C)[NH+]1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000179961556 187308437 /nfs/dbraw/zinc/30/84/37/187308437.db2.gz FVNGDSVHHXGWNW-UHFFFAOYSA-N 2 2 208.309 0.936 20 0 BCADLP O[C@@H]1CC[N@H+](CCNc2cc[nH+]cc2F)C1 ZINC000641689204 362609539 /nfs/dbraw/zinc/60/95/39/362609539.db2.gz QIZXZJVSNMPJLT-SECBINFHSA-N 2 2 225.267 0.121 20 0 BCADLP O[C@@H]1CC[N@@H+](CCNc2cc[nH+]cc2F)C1 ZINC000641689204 362609544 /nfs/dbraw/zinc/60/95/44/362609544.db2.gz QIZXZJVSNMPJLT-SECBINFHSA-N 2 2 225.267 0.121 20 0 BCADLP C[NH+](C)CCC[NH2+]Cc1ccncc1N ZINC000641701527 362614439 /nfs/dbraw/zinc/61/44/39/362614439.db2.gz TVYDHLHUEIQVNB-UHFFFAOYSA-N 2 2 208.309 0.705 20 0 BCADLP C[NH+]1CCC([NH2+]Cc2ccncc2N)CC1 ZINC000641703624 362614591 /nfs/dbraw/zinc/61/45/91/362614591.db2.gz YWFKSNITQMOJSL-UHFFFAOYSA-N 2 2 220.320 0.848 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C)[C@H](O)C1 ZINC000093344726 345654385 /nfs/dbraw/zinc/65/43/85/345654385.db2.gz KZSUKPWWNVUFOS-CMPLNLGQSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C)[C@H](O)C1 ZINC000093344726 345654388 /nfs/dbraw/zinc/65/43/88/345654388.db2.gz KZSUKPWWNVUFOS-CMPLNLGQSA-N 2 2 223.320 0.894 20 0 BCADLP CC[N@H+](CCCn1cc[nH+]c1)CC(=O)N(C)C ZINC000678881072 488292444 /nfs/dbraw/zinc/29/24/44/488292444.db2.gz BGIMUHNIMZIXIX-UHFFFAOYSA-N 2 2 238.335 0.683 20 0 BCADLP CC[N@@H+](CCCn1cc[nH+]c1)CC(=O)N(C)C ZINC000678881072 488292445 /nfs/dbraw/zinc/29/24/45/488292445.db2.gz BGIMUHNIMZIXIX-UHFFFAOYSA-N 2 2 238.335 0.683 20 0 BCADLP COC(=O)COC[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000449217665 201839317 /nfs/dbraw/zinc/83/93/17/201839317.db2.gz AUVDMCXXZIMUBY-LLVKDONJSA-N 2 2 244.335 0.250 20 0 BCADLP CCOC(=O)CCCC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000143741483 345707510 /nfs/dbraw/zinc/70/75/10/345707510.db2.gz ZKGNXQKVIQRDEK-LLVKDONJSA-N 2 2 244.335 0.379 20 0 BCADLP CCOC(=O)CCCC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000143741483 345707513 /nfs/dbraw/zinc/70/75/13/345707513.db2.gz ZKGNXQKVIQRDEK-LLVKDONJSA-N 2 2 244.335 0.379 20 0 BCADLP Cc1nn(C)c(C)c1CC[NH2+][C@H]1CCC[NH2+]C1 ZINC000563135597 323094782 /nfs/dbraw/zinc/09/47/82/323094782.db2.gz NVXIHQOQGBUESV-LBPRGKRZSA-N 2 2 236.363 0.921 20 0 BCADLP C[C@H](C(=O)N1CC(n2cc[nH+]c2)C1)[NH+](C)C ZINC000635566257 345799501 /nfs/dbraw/zinc/79/95/01/345799501.db2.gz WKQADCFNODBRFR-SECBINFHSA-N 2 2 222.292 0.217 20 0 BCADLP [NH3+]CC[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000563153586 323095882 /nfs/dbraw/zinc/09/58/82/323095882.db2.gz BWTHRYJHBNHWMT-RYUDHWBXSA-N 3 2 227.352 0.163 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]CC1(C)CC1 ZINC000380303944 345944828 /nfs/dbraw/zinc/94/48/28/345944828.db2.gz FFJRQKBFKPTQKJ-LLVKDONJSA-N 2 2 211.353 0.622 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]CC1(C)CC1 ZINC000380303944 345944830 /nfs/dbraw/zinc/94/48/30/345944830.db2.gz FFJRQKBFKPTQKJ-LLVKDONJSA-N 2 2 211.353 0.622 20 0 BCADLP COC(=O)[C@H](CC(C)C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000586760915 346067563 /nfs/dbraw/zinc/06/75/63/346067563.db2.gz RUWQEOXWIXKNCT-SRVKXCTJSA-N 2 2 240.347 0.725 20 0 BCADLP C[C@@H](C(=O)N1CCCCC1)[NH+]1CCC([NH3+])CC1 ZINC000034939765 346114895 /nfs/dbraw/zinc/11/48/95/346114895.db2.gz NATOMSNSUQRIGC-NSHDSACASA-N 2 2 239.363 0.811 20 0 BCADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000635967493 346126324 /nfs/dbraw/zinc/12/63/24/346126324.db2.gz DIGMPWOVAYVXAE-OUAUKWLOSA-N 2 2 227.352 0.488 20 0 BCADLP C[C@H](C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000635967493 346126326 /nfs/dbraw/zinc/12/63/26/346126326.db2.gz DIGMPWOVAYVXAE-OUAUKWLOSA-N 2 2 227.352 0.488 20 0 BCADLP CC[C@H]1C[N@H+](C[C@](C)(O)C[NH2+]C)CCO1 ZINC000563271323 323107179 /nfs/dbraw/zinc/10/71/79/323107179.db2.gz PTTXJSFSSBWYQM-WDEREUQCSA-N 2 2 216.325 0.068 20 0 BCADLP CC[C@H]1C[N@@H+](C[C@](C)(O)C[NH2+]C)CCO1 ZINC000563271323 323107180 /nfs/dbraw/zinc/10/71/80/323107180.db2.gz PTTXJSFSSBWYQM-WDEREUQCSA-N 2 2 216.325 0.068 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@@](C)(O)C[NH2+]C)CCO1 ZINC000563271321 323107251 /nfs/dbraw/zinc/10/72/51/323107251.db2.gz PTTXJSFSSBWYQM-MNOVXSKESA-N 2 2 216.325 0.068 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@@](C)(O)C[NH2+]C)CCO1 ZINC000563271321 323107252 /nfs/dbraw/zinc/10/72/52/323107252.db2.gz PTTXJSFSSBWYQM-MNOVXSKESA-N 2 2 216.325 0.068 20 0 BCADLP C[C@@H](C(=O)NCCc1cn(C)c[nH+]1)[NH+](C)C ZINC000636016344 346156482 /nfs/dbraw/zinc/15/64/82/346156482.db2.gz UJCAPSVQOSFUAK-VIFPVBQESA-N 2 2 224.308 0.029 20 0 BCADLP CC(C)CNC(=[NH2+])NCCn1cc[nH+]c1 ZINC000052043395 346236778 /nfs/dbraw/zinc/23/67/78/346236778.db2.gz BJODKOZKPGWBSQ-UHFFFAOYSA-N 2 2 209.297 0.653 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CC(=O)N(C)C)C1 ZINC000679074225 488305955 /nfs/dbraw/zinc/30/59/55/488305955.db2.gz AEKSHXZCNQZKTJ-QJPTWQEYSA-N 2 2 241.379 0.783 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CC(=O)N(C)C)C1 ZINC000679074225 488305958 /nfs/dbraw/zinc/30/59/58/488305958.db2.gz AEKSHXZCNQZKTJ-QJPTWQEYSA-N 2 2 241.379 0.783 20 0 BCADLP COC[C@@H](CO)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000641749271 362669682 /nfs/dbraw/zinc/66/96/82/362669682.db2.gz DJVSUIOZGSLTOI-LLVKDONJSA-N 2 2 239.319 0.245 20 0 BCADLP Nc1cnccc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000641749498 362669775 /nfs/dbraw/zinc/66/97/75/362669775.db2.gz UBPCBZIEZGKWKT-LLVKDONJSA-N 2 2 243.314 0.965 20 0 BCADLP Cn1c[nH+]cc1CCN1CC[N@H+](C)C(C)(C)C1 ZINC000563357479 323119648 /nfs/dbraw/zinc/11/96/48/323119648.db2.gz VVJGXBVWMRWFTI-UHFFFAOYSA-N 2 2 236.363 0.989 20 0 BCADLP Cn1c[nH+]cc1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000563357479 323119649 /nfs/dbraw/zinc/11/96/49/323119649.db2.gz VVJGXBVWMRWFTI-UHFFFAOYSA-N 2 2 236.363 0.989 20 0 BCADLP C[NH2+][C@@H](C)C(=O)NCCCNc1cccc[nH+]1 ZINC000563416357 323123480 /nfs/dbraw/zinc/12/34/80/323123480.db2.gz IWHALUBGFYYJIK-JTQLQIEISA-N 2 2 236.319 0.608 20 0 BCADLP c1n[nH]cc1CC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000641797939 362738333 /nfs/dbraw/zinc/73/83/33/362738333.db2.gz ASLAFLCMUQLWTF-NWDGAFQWSA-N 2 2 220.320 0.636 20 0 BCADLP c1n[nH]cc1CC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000641797939 362738336 /nfs/dbraw/zinc/73/83/36/362738336.db2.gz ASLAFLCMUQLWTF-NWDGAFQWSA-N 2 2 220.320 0.636 20 0 BCADLP C[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C[C@H]1C[NH3+] ZINC000641797959 362737871 /nfs/dbraw/zinc/73/78/71/362737871.db2.gz AXXRPFLJMCBUHV-NWDGAFQWSA-N 3 2 236.363 0.879 20 0 BCADLP C[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)C[C@H]1C[NH3+] ZINC000641797959 362737878 /nfs/dbraw/zinc/73/78/78/362737878.db2.gz AXXRPFLJMCBUHV-NWDGAFQWSA-N 3 2 236.363 0.879 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000641800113 362750705 /nfs/dbraw/zinc/75/07/05/362750705.db2.gz WMFGAHVWMAIBTF-LBPRGKRZSA-N 3 2 238.335 0.012 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000641800113 362750710 /nfs/dbraw/zinc/75/07/10/362750710.db2.gz WMFGAHVWMAIBTF-LBPRGKRZSA-N 3 2 238.335 0.012 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000641799212 362746677 /nfs/dbraw/zinc/74/66/77/362746677.db2.gz OIKRABUMOOEKPC-GFCCVEGCSA-N 2 2 222.336 0.633 20 0 BCADLP COc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)on1 ZINC000641798243 362749880 /nfs/dbraw/zinc/74/98/80/362749880.db2.gz NFABBSRXVUVOCH-IUCAKERBSA-N 2 2 225.292 0.852 20 0 BCADLP COc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)on1 ZINC000641798243 362749885 /nfs/dbraw/zinc/74/98/85/362749885.db2.gz NFABBSRXVUVOCH-IUCAKERBSA-N 2 2 225.292 0.852 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000641796971 362741632 /nfs/dbraw/zinc/74/16/32/362741632.db2.gz OCLOSVIZJYOGKO-GFCCVEGCSA-N 3 2 236.363 0.894 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000641796971 362741633 /nfs/dbraw/zinc/74/16/33/362741633.db2.gz OCLOSVIZJYOGKO-GFCCVEGCSA-N 3 2 236.363 0.894 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000641808366 362763443 /nfs/dbraw/zinc/76/34/43/362763443.db2.gz URILMTXDNICXBC-GRYCIOLGSA-N 2 2 247.342 0.928 20 0 BCADLP COc1cncc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)n1 ZINC000641801466 362755022 /nfs/dbraw/zinc/75/50/22/362755022.db2.gz QYXSUCRAVDKHRQ-UWVGGRQHSA-N 2 2 236.319 0.701 20 0 BCADLP COc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)on1 ZINC000641802144 362758628 /nfs/dbraw/zinc/75/86/28/362758628.db2.gz YDVXAGIGINCSNE-BDAKNGLRSA-N 2 2 225.292 0.899 20 0 BCADLP CCn1ncnc1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641802064 362758695 /nfs/dbraw/zinc/75/86/95/362758695.db2.gz HJXPDQRDGGOOPQ-RKDXNWHRSA-N 2 2 223.324 0.513 20 0 BCADLP [NH3+]CC12CC(C1)C[N@@H+]2CCc1cn[nH]c1 ZINC000641818011 362769221 /nfs/dbraw/zinc/76/92/21/362769221.db2.gz BRMGVGWXLDLIGA-UHFFFAOYSA-N 2 2 206.293 0.375 20 0 BCADLP [NH3+]CC12CC(C1)C[N@H+]2CCc1cn[nH]c1 ZINC000641818011 362769227 /nfs/dbraw/zinc/76/92/27/362769227.db2.gz BRMGVGWXLDLIGA-UHFFFAOYSA-N 2 2 206.293 0.375 20 0 BCADLP Cc1cccc(N2CCC[N@@H+](CCO)CC2)[nH+]1 ZINC000071349609 179122586 /nfs/dbraw/zinc/12/25/86/179122586.db2.gz HVQQACOHFZRUQS-UHFFFAOYSA-N 2 2 235.331 0.894 20 0 BCADLP C[C@H](CN1CCOCC1)[N@@H+]1CCC[NH2+]CC1 ZINC000580196503 346652075 /nfs/dbraw/zinc/65/20/75/346652075.db2.gz OKPREGFBGYYGIG-GFCCVEGCSA-N 2 2 227.352 0.002 20 0 BCADLP C[C@H](CN1CCOCC1)[N@H+]1CCC[NH2+]CC1 ZINC000580196503 346652077 /nfs/dbraw/zinc/65/20/77/346652077.db2.gz OKPREGFBGYYGIG-GFCCVEGCSA-N 2 2 227.352 0.002 20 0 BCADLP CC[C@@H]([NH3+])C(=O)Nc1c[nH+]ccc1OC ZINC000166575318 346681864 /nfs/dbraw/zinc/68/18/64/346681864.db2.gz LYEMKKJXFPAOAC-SSDOTTSWSA-N 2 2 209.249 0.766 20 0 BCADLP CCSCC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000252688625 346760944 /nfs/dbraw/zinc/76/09/44/346760944.db2.gz OVCZJELFFPWCRJ-VHSXEESVSA-N 2 2 218.366 0.788 20 0 BCADLP CCSCC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000252688625 346760948 /nfs/dbraw/zinc/76/09/48/346760948.db2.gz OVCZJELFFPWCRJ-VHSXEESVSA-N 2 2 218.366 0.788 20 0 BCADLP C[C@]1(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)CC[NH2+]C1 ZINC000622003576 370654577 /nfs/dbraw/zinc/65/45/77/370654577.db2.gz BXUUITCPGKAGGY-AVGNSLFASA-N 3 2 223.364 0.799 20 0 BCADLP C[C@]1(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)CC[NH2+]C1 ZINC000622003576 370654582 /nfs/dbraw/zinc/65/45/82/370654582.db2.gz BXUUITCPGKAGGY-AVGNSLFASA-N 3 2 223.364 0.799 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000380205415 346806328 /nfs/dbraw/zinc/80/63/28/346806328.db2.gz FNNNTUMUBWHRCS-DTWKUNHWSA-N 2 2 222.292 0.462 20 0 BCADLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)on1 ZINC000641821624 362772532 /nfs/dbraw/zinc/77/25/32/362772532.db2.gz MTZGEYZLSQRKCT-DTWKUNHWSA-N 2 2 225.292 0.995 20 0 BCADLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)on1 ZINC000641821624 362772537 /nfs/dbraw/zinc/77/25/37/362772537.db2.gz MTZGEYZLSQRKCT-DTWKUNHWSA-N 2 2 225.292 0.995 20 0 BCADLP C[NH2+]CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000082276236 347325657 /nfs/dbraw/zinc/32/56/57/347325657.db2.gz AYMCJMBRCQAEDN-SECBINFHSA-N 2 2 222.292 0.335 20 0 BCADLP CCn1cc[nH+]c1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000581260463 347368976 /nfs/dbraw/zinc/36/89/76/347368976.db2.gz IROHZBXJEXMYJR-SNVBAGLBSA-N 2 2 236.319 0.471 20 0 BCADLP CCn1cc[nH+]c1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000581260463 347368979 /nfs/dbraw/zinc/36/89/79/347368979.db2.gz IROHZBXJEXMYJR-SNVBAGLBSA-N 2 2 236.319 0.471 20 0 BCADLP COc1cc[nH+]cc1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000580332131 347386006 /nfs/dbraw/zinc/38/60/06/347386006.db2.gz FUUBSCGGRATLOI-OCAPTIKFSA-N 2 2 221.260 0.766 20 0 BCADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000396753678 362832865 /nfs/dbraw/zinc/83/28/65/362832865.db2.gz YGVVIFDEGWYCJB-WDEREUQCSA-N 2 2 225.336 0.339 20 0 BCADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000396753678 362832871 /nfs/dbraw/zinc/83/28/71/362832871.db2.gz YGVVIFDEGWYCJB-WDEREUQCSA-N 2 2 225.336 0.339 20 0 BCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493125048 347567305 /nfs/dbraw/zinc/56/73/05/347567305.db2.gz XDAKHYCMKRSPMB-QRGHLMKCSA-N 2 2 248.330 0.976 20 0 BCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493125048 347567307 /nfs/dbraw/zinc/56/73/07/347567307.db2.gz XDAKHYCMKRSPMB-QRGHLMKCSA-N 2 2 248.330 0.976 20 0 BCADLP COC(=O)[C@H]1CCCCC[N@@H+]1CCC[NH3+] ZINC000591272413 347636850 /nfs/dbraw/zinc/63/68/50/347636850.db2.gz IXWLWJSSZPYRLA-SNVBAGLBSA-N 2 2 214.309 0.753 20 0 BCADLP COC(=O)[C@H]1CCCCC[N@H+]1CCC[NH3+] ZINC000591272413 347636852 /nfs/dbraw/zinc/63/68/52/347636852.db2.gz IXWLWJSSZPYRLA-SNVBAGLBSA-N 2 2 214.309 0.753 20 0 BCADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)NC1CC1 ZINC000591867749 347708125 /nfs/dbraw/zinc/70/81/25/347708125.db2.gz SCNQTTRCKPDCLA-LBPRGKRZSA-N 2 2 248.330 0.799 20 0 BCADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)NC1CC1 ZINC000591867749 347708127 /nfs/dbraw/zinc/70/81/27/347708127.db2.gz SCNQTTRCKPDCLA-LBPRGKRZSA-N 2 2 248.330 0.799 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000308519874 347774302 /nfs/dbraw/zinc/77/43/02/347774302.db2.gz XGSAMHFZQZMGRJ-WPRPVWTQSA-N 2 2 200.282 0.219 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000308519874 347774305 /nfs/dbraw/zinc/77/43/05/347774305.db2.gz XGSAMHFZQZMGRJ-WPRPVWTQSA-N 2 2 200.282 0.219 20 0 BCADLP COC(=O)[C@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000592493947 347787710 /nfs/dbraw/zinc/78/77/10/347787710.db2.gz KQXZLDZPOSYJCY-VHSXEESVSA-N 2 2 212.293 0.233 20 0 BCADLP COC(=O)[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000592493947 347787714 /nfs/dbraw/zinc/78/77/14/347787714.db2.gz KQXZLDZPOSYJCY-VHSXEESVSA-N 2 2 212.293 0.233 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593100487 347856704 /nfs/dbraw/zinc/85/67/04/347856704.db2.gz NRCJXQVHWAFTMW-KZTGVZKYSA-N 2 2 242.388 0.676 20 0 BCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593100487 347856706 /nfs/dbraw/zinc/85/67/06/347856706.db2.gz NRCJXQVHWAFTMW-KZTGVZKYSA-N 2 2 242.388 0.676 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593100487 347856709 /nfs/dbraw/zinc/85/67/09/347856709.db2.gz NRCJXQVHWAFTMW-KZTGVZKYSA-N 2 2 242.388 0.676 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593100487 347856713 /nfs/dbraw/zinc/85/67/13/347856713.db2.gz NRCJXQVHWAFTMW-KZTGVZKYSA-N 2 2 242.388 0.676 20 0 BCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593100490 347857293 /nfs/dbraw/zinc/85/72/93/347857293.db2.gz NRCJXQVHWAFTMW-CENBSLRLSA-N 2 2 242.388 0.676 20 0 BCADLP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593100490 347857294 /nfs/dbraw/zinc/85/72/94/347857294.db2.gz NRCJXQVHWAFTMW-CENBSLRLSA-N 2 2 242.388 0.676 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593100490 347857295 /nfs/dbraw/zinc/85/72/95/347857295.db2.gz NRCJXQVHWAFTMW-CENBSLRLSA-N 2 2 242.388 0.676 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593100490 347857296 /nfs/dbraw/zinc/85/72/96/347857296.db2.gz NRCJXQVHWAFTMW-CENBSLRLSA-N 2 2 242.388 0.676 20 0 BCADLP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000319556688 259398586 /nfs/dbraw/zinc/39/85/86/259398586.db2.gz PIIFZBSIJHNQMK-GARJFASQSA-N 2 2 200.326 0.999 20 0 BCADLP C[NH+](C)CC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000594180021 348020887 /nfs/dbraw/zinc/02/08/87/348020887.db2.gz PWLYIAQDGGEVPS-UHFFFAOYSA-N 2 2 235.287 0.233 20 0 BCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]CC1(F)CC1 ZINC000308507210 323175089 /nfs/dbraw/zinc/17/50/89/323175089.db2.gz JEKVNIOEOOEFKM-VIFPVBQESA-N 2 2 204.289 0.391 20 0 BCADLP Cn1c[nH+]c(CCNC(=O)C2([NH+](C)C)CC2)c1 ZINC000616208292 348143094 /nfs/dbraw/zinc/14/30/94/348143094.db2.gz XCHDABPXVCDFNA-UHFFFAOYSA-N 2 2 236.319 0.173 20 0 BCADLP CS[C@H](CO)[C@@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000594921160 348155125 /nfs/dbraw/zinc/15/51/25/348155125.db2.gz JDKUJIDVYMXCRP-LDYMZIIASA-N 2 2 243.376 0.931 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC[NH+](C)C ZINC000594922169 348155620 /nfs/dbraw/zinc/15/56/20/348155620.db2.gz HZAGAKUMTYZADW-IVZWLZJFSA-N 2 2 214.309 0.335 20 0 BCADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000595154334 348201432 /nfs/dbraw/zinc/20/14/32/348201432.db2.gz TWZMXBPLHVJVEU-NEPJUHHUSA-N 2 2 249.362 0.609 20 0 BCADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000595154334 348201436 /nfs/dbraw/zinc/20/14/36/348201436.db2.gz TWZMXBPLHVJVEU-NEPJUHHUSA-N 2 2 249.362 0.609 20 0 BCADLP CC[NH+](CCOC)C[C@@H](O)C[N@@H+](C)CC ZINC000308977133 323183021 /nfs/dbraw/zinc/18/30/21/323183021.db2.gz CKZWJFKARACVAV-NSHDSACASA-N 2 2 218.341 0.267 20 0 BCADLP CC[NH+](CCOC)C[C@@H](O)C[N@H+](C)CC ZINC000308977133 323183022 /nfs/dbraw/zinc/18/30/22/323183022.db2.gz CKZWJFKARACVAV-NSHDSACASA-N 2 2 218.341 0.267 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](CC)CCOC ZINC000308977133 323183023 /nfs/dbraw/zinc/18/30/23/323183023.db2.gz CKZWJFKARACVAV-NSHDSACASA-N 2 2 218.341 0.267 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](CC)CCOC ZINC000308977133 323183024 /nfs/dbraw/zinc/18/30/24/323183024.db2.gz CKZWJFKARACVAV-NSHDSACASA-N 2 2 218.341 0.267 20 0 BCADLP COC(=O)C12CC(C1)C[N@@H+]2CCn1cc[nH+]c1 ZINC000595683985 348312251 /nfs/dbraw/zinc/31/22/51/348312251.db2.gz WOLMYMRHSPHSKM-UHFFFAOYSA-N 2 2 235.287 0.521 20 0 BCADLP COC(=O)C12CC(C1)C[N@H+]2CCn1cc[nH+]c1 ZINC000595683985 348312252 /nfs/dbraw/zinc/31/22/52/348312252.db2.gz WOLMYMRHSPHSKM-UHFFFAOYSA-N 2 2 235.287 0.521 20 0 BCADLP COC(=O)C12CC(C1)C[N@@H+]2CCn1cc[nH+]c1C ZINC000595684175 348312572 /nfs/dbraw/zinc/31/25/72/348312572.db2.gz YVWVZJYHMCOUBW-UHFFFAOYSA-N 2 2 249.314 0.829 20 0 BCADLP COC(=O)C12CC(C1)C[N@H+]2CCn1cc[nH+]c1C ZINC000595684175 348312576 /nfs/dbraw/zinc/31/25/76/348312576.db2.gz YVWVZJYHMCOUBW-UHFFFAOYSA-N 2 2 249.314 0.829 20 0 BCADLP C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000309098970 349985895 /nfs/dbraw/zinc/98/58/95/349985895.db2.gz DXPWKKWDBQCOMM-APPZFPTMSA-N 2 2 208.265 0.024 20 0 BCADLP COC(=O)CCC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000595903068 348395138 /nfs/dbraw/zinc/39/51/38/348395138.db2.gz HGPDIQWFWHYPIK-UHFFFAOYSA-N 2 2 212.293 0.363 20 0 BCADLP COC(=O)CCC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000595903068 348395141 /nfs/dbraw/zinc/39/51/41/348395141.db2.gz HGPDIQWFWHYPIK-UHFFFAOYSA-N 2 2 212.293 0.363 20 0 BCADLP COC(=O)c1cc(C[NH2+]CC23CC(C2)C[NH2+]3)c[nH]1 ZINC000596103505 348440158 /nfs/dbraw/zinc/44/01/58/348440158.db2.gz LSRVMXXYFBHMGT-UHFFFAOYSA-N 2 2 249.314 0.643 20 0 BCADLP C[C@H]([NH3+])CCC(=O)NCCCCn1cc[nH+]c1 ZINC000070317870 349993809 /nfs/dbraw/zinc/99/38/09/349993809.db2.gz PKXUWEAZBMOWSW-NSHDSACASA-N 2 2 238.335 0.907 20 0 BCADLP Cc1cn2cc(NC(=O)[C@@H](C)[NH3+])ccc2[nH+]1 ZINC000261808505 179567803 /nfs/dbraw/zinc/56/78/03/179567803.db2.gz LORIXQFCOIAGPT-MRVPVSSYSA-N 2 2 218.260 0.928 20 0 BCADLP C[NH2+][C@@H](C)C(=O)NCCCCn1cc[nH+]c1 ZINC000054076817 348880302 /nfs/dbraw/zinc/88/03/02/348880302.db2.gz CAYUQEQJYDUMPF-JTQLQIEISA-N 2 2 224.308 0.387 20 0 BCADLP COC(=O)CCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598684760 349015718 /nfs/dbraw/zinc/01/57/18/349015718.db2.gz YLORVQBGPOEPOJ-PWSUYJOCSA-N 2 2 226.320 0.753 20 0 BCADLP COC(=O)CCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598684760 349015720 /nfs/dbraw/zinc/01/57/20/349015720.db2.gz YLORVQBGPOEPOJ-PWSUYJOCSA-N 2 2 226.320 0.753 20 0 BCADLP C[N@H+](CC[NH3+])CCCn1c2ccccc2[nH]c1=O ZINC000054419136 349032729 /nfs/dbraw/zinc/03/27/29/349032729.db2.gz NMLOPZLTJAXXLK-UHFFFAOYSA-N 2 2 248.330 0.610 20 0 BCADLP C[N@@H+](CC[NH3+])CCCn1c2ccccc2[nH]c1=O ZINC000054419136 349032734 /nfs/dbraw/zinc/03/27/34/349032734.db2.gz NMLOPZLTJAXXLK-UHFFFAOYSA-N 2 2 248.330 0.610 20 0 BCADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnccn2)C1 ZINC000054766431 349078559 /nfs/dbraw/zinc/07/85/59/349078559.db2.gz RUDWNNZOSNDLCA-NSHDSACASA-N 2 2 220.320 0.908 20 0 BCADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnccn2)C1 ZINC000054766431 349078563 /nfs/dbraw/zinc/07/85/63/349078563.db2.gz RUDWNNZOSNDLCA-NSHDSACASA-N 2 2 220.320 0.908 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnccn1 ZINC000054766395 349079076 /nfs/dbraw/zinc/07/90/76/349079076.db2.gz PWHPNBZYRBMVIB-JTQLQIEISA-N 2 2 217.276 0.851 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+]C2CCCCC2)C1 ZINC000308912826 349066801 /nfs/dbraw/zinc/06/68/01/349066801.db2.gz YPKLOEIBLQYSCQ-GFCCVEGCSA-N 2 2 212.337 0.975 20 0 BCADLP O[C@@H]1CC[N@@H+](CC[NH2+]C2CCCCC2)C1 ZINC000308912826 349066803 /nfs/dbraw/zinc/06/68/03/349066803.db2.gz YPKLOEIBLQYSCQ-GFCCVEGCSA-N 2 2 212.337 0.975 20 0 BCADLP Cc1ccncc1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000250871352 349180515 /nfs/dbraw/zinc/18/05/15/349180515.db2.gz LFBUVOPXRGBUIC-CYBMUJFWSA-N 2 2 234.347 0.465 20 0 BCADLP Cc1ccncc1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000250871352 349180518 /nfs/dbraw/zinc/18/05/18/349180518.db2.gz LFBUVOPXRGBUIC-CYBMUJFWSA-N 2 2 234.347 0.465 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000252681739 349210546 /nfs/dbraw/zinc/21/05/46/349210546.db2.gz AVXNBPXTNAMXEB-GHMZBOCLSA-N 2 2 227.352 0.666 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000252681739 349210550 /nfs/dbraw/zinc/21/05/50/349210550.db2.gz AVXNBPXTNAMXEB-GHMZBOCLSA-N 2 2 227.352 0.666 20 0 BCADLP C[C@H]1CC[N@H+](Cc2ncnn2C)C[C@H]1C[NH3+] ZINC000253185320 349228101 /nfs/dbraw/zinc/22/81/01/349228101.db2.gz IAUGGENEKOUDLS-VHSXEESVSA-N 2 2 223.324 0.232 20 0 BCADLP C[C@H]1CC[N@@H+](Cc2ncnn2C)C[C@H]1C[NH3+] ZINC000253185320 349228104 /nfs/dbraw/zinc/22/81/04/349228104.db2.gz IAUGGENEKOUDLS-VHSXEESVSA-N 2 2 223.324 0.232 20 0 BCADLP CC[C@@H](C)CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000253269023 349229719 /nfs/dbraw/zinc/22/97/19/349229719.db2.gz ZHGQFIOBXCTBOI-GHMZBOCLSA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@@H](C)CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000253269023 349229722 /nfs/dbraw/zinc/22/97/22/349229722.db2.gz ZHGQFIOBXCTBOI-GHMZBOCLSA-N 2 2 227.352 0.524 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CCN1Cc1[nH+]ccn1C ZINC000070853676 350069538 /nfs/dbraw/zinc/06/95/38/350069538.db2.gz MEKVNQSGQYWHLW-ZJUUUORDSA-N 2 2 208.309 0.732 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1nccn1C ZINC000070853676 350069539 /nfs/dbraw/zinc/06/95/39/350069539.db2.gz MEKVNQSGQYWHLW-ZJUUUORDSA-N 2 2 208.309 0.732 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1nccn1C ZINC000070853676 350069542 /nfs/dbraw/zinc/06/95/42/350069542.db2.gz MEKVNQSGQYWHLW-ZJUUUORDSA-N 2 2 208.309 0.732 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CCN1Cc1[nH+]ccn1C ZINC000070853665 350069775 /nfs/dbraw/zinc/06/97/75/350069775.db2.gz MEKVNQSGQYWHLW-VHSXEESVSA-N 2 2 208.309 0.732 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1nccn1C ZINC000070853665 350069777 /nfs/dbraw/zinc/06/97/77/350069777.db2.gz MEKVNQSGQYWHLW-VHSXEESVSA-N 2 2 208.309 0.732 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1nccn1C ZINC000070853665 350069780 /nfs/dbraw/zinc/06/97/80/350069780.db2.gz MEKVNQSGQYWHLW-VHSXEESVSA-N 2 2 208.309 0.732 20 0 BCADLP CC[C@@H](CO)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000131994959 191019396 /nfs/dbraw/zinc/01/93/96/191019396.db2.gz ZENHJIDROXTYSW-DCAQKATOSA-N 2 2 212.337 0.972 20 0 BCADLP CC[C@@H](CO)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000131994959 191019398 /nfs/dbraw/zinc/01/93/98/191019398.db2.gz ZENHJIDROXTYSW-DCAQKATOSA-N 2 2 212.337 0.972 20 0 BCADLP Cc1nc([C@@H]2CCC[N@@H+]2CCOCC[NH3+])no1 ZINC000357077911 180044065 /nfs/dbraw/zinc/04/40/65/180044065.db2.gz QQEWWCVTVRAXLI-JTQLQIEISA-N 2 2 240.307 0.490 20 0 BCADLP Cc1nc([C@@H]2CCC[N@H+]2CCOCC[NH3+])no1 ZINC000357077911 180044068 /nfs/dbraw/zinc/04/40/68/180044068.db2.gz QQEWWCVTVRAXLI-JTQLQIEISA-N 2 2 240.307 0.490 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000147522874 538057051 /nfs/dbraw/zinc/05/70/51/538057051.db2.gz VEAFSSJROXGEDX-TUAOUCFPSA-N 2 2 241.379 0.960 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000147522874 538057055 /nfs/dbraw/zinc/05/70/55/538057055.db2.gz VEAFSSJROXGEDX-TUAOUCFPSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)C(C)(C)O ZINC000306399197 490340592 /nfs/dbraw/zinc/34/05/92/490340592.db2.gz JXZKGSBHDDUVDC-BBBLOLIVSA-N 2 2 200.326 0.686 20 0 BCADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C(C)(C)O ZINC000306399197 490340595 /nfs/dbraw/zinc/34/05/95/490340595.db2.gz JXZKGSBHDDUVDC-BBBLOLIVSA-N 2 2 200.326 0.686 20 0 BCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H](C)[NH3+] ZINC000040828694 180103501 /nfs/dbraw/zinc/10/35/01/180103501.db2.gz BQXXOLKOCCLYNI-SECBINFHSA-N 2 2 246.314 0.808 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000334274349 180118432 /nfs/dbraw/zinc/11/84/32/180118432.db2.gz QGRIEJDSNJNYDN-VIFPVBQESA-N 2 2 222.292 0.286 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000334274349 180118434 /nfs/dbraw/zinc/11/84/34/180118434.db2.gz QGRIEJDSNJNYDN-VIFPVBQESA-N 2 2 222.292 0.286 20 0 BCADLP CN1CC[C@@H]([N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000604759004 350184116 /nfs/dbraw/zinc/18/41/16/350184116.db2.gz MTPILMBSVZHDEB-VXGBXAGGSA-N 2 2 248.330 0.751 20 0 BCADLP CN1CC[C@@H]([N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000604759004 350184118 /nfs/dbraw/zinc/18/41/18/350184118.db2.gz MTPILMBSVZHDEB-VXGBXAGGSA-N 2 2 248.330 0.751 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000604789526 350188307 /nfs/dbraw/zinc/18/83/07/350188307.db2.gz KHECOLWVJZPAQQ-SNVBAGLBSA-N 2 2 236.319 0.852 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCCC[N@H+]1C ZINC000604789526 350188309 /nfs/dbraw/zinc/18/83/09/350188309.db2.gz KHECOLWVJZPAQQ-SNVBAGLBSA-N 2 2 236.319 0.852 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000604789525 350188420 /nfs/dbraw/zinc/18/84/20/350188420.db2.gz KHECOLWVJZPAQQ-JTQLQIEISA-N 2 2 236.319 0.852 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000604789525 350188422 /nfs/dbraw/zinc/18/84/22/350188422.db2.gz KHECOLWVJZPAQQ-JTQLQIEISA-N 2 2 236.319 0.852 20 0 BCADLP Cc1ncc(C[NH2+]C[C@](C)(O)C[NH+](C)C)s1 ZINC000125893819 180152138 /nfs/dbraw/zinc/15/21/38/180152138.db2.gz UNBDFFYPTQWGFT-NSHDSACASA-N 2 2 243.376 0.854 20 0 BCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000336305752 180229790 /nfs/dbraw/zinc/22/97/90/180229790.db2.gz ACFRZNVCVQLXKY-SNVBAGLBSA-N 2 2 236.319 0.354 20 0 BCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000336305752 180229791 /nfs/dbraw/zinc/22/97/91/180229791.db2.gz ACFRZNVCVQLXKY-SNVBAGLBSA-N 2 2 236.319 0.354 20 0 BCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C[NH+](C)C ZINC000153977119 180237567 /nfs/dbraw/zinc/23/75/67/180237567.db2.gz HYETZPWSSUNOFD-UHFFFAOYSA-N 2 2 238.335 0.602 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+](C)CC(=O)NC(C)C ZINC000270657724 180247004 /nfs/dbraw/zinc/24/70/04/180247004.db2.gz NTVLMVDCMKHMPJ-UHFFFAOYSA-N 2 2 238.335 0.648 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+](C)CC(=O)NC(C)C ZINC000270657724 180247011 /nfs/dbraw/zinc/24/70/11/180247011.db2.gz NTVLMVDCMKHMPJ-UHFFFAOYSA-N 2 2 238.335 0.648 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CCNC1=O ZINC000346170343 180249013 /nfs/dbraw/zinc/24/90/13/180249013.db2.gz RCWCFKJIXBZYLQ-SNVBAGLBSA-N 2 2 222.292 0.012 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCNC1=O ZINC000346170343 180249016 /nfs/dbraw/zinc/24/90/16/180249016.db2.gz RCWCFKJIXBZYLQ-SNVBAGLBSA-N 2 2 222.292 0.012 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000274463196 180249305 /nfs/dbraw/zinc/24/93/05/180249305.db2.gz MUAUPHKHXVHBQW-QLJPJBMISA-N 2 2 243.376 0.890 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000274463196 180249308 /nfs/dbraw/zinc/24/93/08/180249308.db2.gz MUAUPHKHXVHBQW-QLJPJBMISA-N 2 2 243.376 0.890 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCNC(=O)C1(C)C ZINC000270680722 180253534 /nfs/dbraw/zinc/25/35/34/180253534.db2.gz UNFPEVJNASXILZ-UHFFFAOYSA-N 2 2 236.319 0.402 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCNC(=O)C1(C)C ZINC000270680722 180253536 /nfs/dbraw/zinc/25/35/36/180253536.db2.gz UNFPEVJNASXILZ-UHFFFAOYSA-N 2 2 236.319 0.402 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000367984921 180254420 /nfs/dbraw/zinc/25/44/20/180254420.db2.gz ZAVOAIMMKBEYOG-LLVKDONJSA-N 2 2 236.319 0.389 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000367984921 180254423 /nfs/dbraw/zinc/25/44/23/180254423.db2.gz ZAVOAIMMKBEYOG-LLVKDONJSA-N 2 2 236.319 0.389 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000270639167 180256765 /nfs/dbraw/zinc/25/67/65/180256765.db2.gz IQLOIFIMGOLDNH-VIFPVBQESA-N 2 2 222.292 0.012 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCNC(=O)[C@@H]1C ZINC000270639167 180256766 /nfs/dbraw/zinc/25/67/66/180256766.db2.gz IQLOIFIMGOLDNH-VIFPVBQESA-N 2 2 222.292 0.012 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000309526100 180240976 /nfs/dbraw/zinc/24/09/76/180240976.db2.gz BXJNPJMBSNKNGI-LLVKDONJSA-N 3 2 208.309 0.615 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]([NH3+])C1 ZINC000309526100 180240980 /nfs/dbraw/zinc/24/09/80/180240980.db2.gz BXJNPJMBSNKNGI-LLVKDONJSA-N 3 2 208.309 0.615 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336775870 180261530 /nfs/dbraw/zinc/26/15/30/180261530.db2.gz CXPAYNHIQSOUDJ-PWSUYJOCSA-N 3 2 222.336 0.731 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336775869 180261960 /nfs/dbraw/zinc/26/19/60/180261960.db2.gz CXPAYNHIQSOUDJ-JQWIXIFHSA-N 3 2 222.336 0.731 20 0 BCADLP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(N)[nH+]c1 ZINC000309293031 350268739 /nfs/dbraw/zinc/26/87/39/350268739.db2.gz QTANGCXIBWKXAV-VIFPVBQESA-N 2 2 208.265 0.586 20 0 BCADLP C[C@@H](C(=O)N1CCn2c[nH+]cc2C1)[NH+]1CC(C)C1 ZINC000580783756 350436761 /nfs/dbraw/zinc/43/67/61/350436761.db2.gz OIQCWSMGSRVALT-NSHDSACASA-N 2 2 248.330 0.566 20 0 BCADLP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000361231223 180382139 /nfs/dbraw/zinc/38/21/39/180382139.db2.gz SIFAQXQPQBOXCZ-ONGXEEELSA-N 2 2 240.351 0.302 20 0 BCADLP c1cn(CC[N@@H+]2CC[C@]3(CCOC3)C2)c[nH+]1 ZINC000163263469 350513574 /nfs/dbraw/zinc/51/35/74/350513574.db2.gz CGEPETKNKATULU-LBPRGKRZSA-N 2 2 221.304 0.996 20 0 BCADLP c1cn(CC[N@H+]2CC[C@]3(CCOC3)C2)c[nH+]1 ZINC000163263469 350513579 /nfs/dbraw/zinc/51/35/79/350513579.db2.gz CGEPETKNKATULU-LBPRGKRZSA-N 2 2 221.304 0.996 20 0 BCADLP C[C@@H](O)C[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000563362797 350824577 /nfs/dbraw/zinc/82/45/77/350824577.db2.gz BZHJMQWTRIRZKL-NWDGAFQWSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H](O)C[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000563362797 350824579 /nfs/dbraw/zinc/82/45/79/350824579.db2.gz BZHJMQWTRIRZKL-NWDGAFQWSA-N 2 2 242.363 0.552 20 0 BCADLP CC[NH+]1CCC([NH2+][C@H](C)c2ncnn2C)CC1 ZINC000353305269 350837354 /nfs/dbraw/zinc/83/73/54/350837354.db2.gz MPPXQPSHDKIWJO-SNVBAGLBSA-N 2 2 237.351 0.950 20 0 BCADLP CC[NH2+]CCCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000577601763 366014141 /nfs/dbraw/zinc/01/41/41/366014141.db2.gz PGCVBRFQUHJLJP-UHFFFAOYSA-N 2 2 236.319 0.933 20 0 BCADLP CC(C)([NH3+])CNc1cc(-n2cc[nH+]c2)ncn1 ZINC000607145668 350944108 /nfs/dbraw/zinc/94/41/08/350944108.db2.gz QLQJSBBUZXAKNN-UHFFFAOYSA-N 2 2 232.291 0.812 20 0 BCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N1CCCC1 ZINC000577611548 366017527 /nfs/dbraw/zinc/01/75/27/366017527.db2.gz IZFINIIZMQOQKQ-LBPRGKRZSA-N 2 2 227.352 0.572 20 0 BCADLP CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC([NH3+])CC1 ZINC000034939785 351355977 /nfs/dbraw/zinc/35/59/77/351355977.db2.gz GSMUECLARWLJRR-NXEZZACHSA-N 2 2 227.352 0.713 20 0 BCADLP CCN1CC[N@H+](CCn2cc[nH+]c2C)CC1=O ZINC000273581961 351535971 /nfs/dbraw/zinc/53/59/71/351535971.db2.gz ZXWGFFWPKYTDPT-UHFFFAOYSA-N 2 2 236.319 0.356 20 0 BCADLP CCN1CC[N@@H+](CCn2cc[nH+]c2C)CC1=O ZINC000273581961 351535973 /nfs/dbraw/zinc/53/59/73/351535973.db2.gz ZXWGFFWPKYTDPT-UHFFFAOYSA-N 2 2 236.319 0.356 20 0 BCADLP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000637804393 351641570 /nfs/dbraw/zinc/64/15/70/351641570.db2.gz CHJDGRJBQHMYNJ-IVZWLZJFSA-N 2 2 234.303 0.381 20 0 BCADLP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000637804393 351641574 /nfs/dbraw/zinc/64/15/74/351641574.db2.gz CHJDGRJBQHMYNJ-IVZWLZJFSA-N 2 2 234.303 0.381 20 0 BCADLP Cc1cn2ccc(C(=O)NCC[NH3+])cc2[nH+]1 ZINC000637797000 351623592 /nfs/dbraw/zinc/62/35/92/351623592.db2.gz GUFVMGJBVZFGBT-UHFFFAOYSA-N 2 2 218.260 0.331 20 0 BCADLP O=C(NCC[NH2+]C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000637828511 351676879 /nfs/dbraw/zinc/67/68/79/351676879.db2.gz PZLJNHQGDUOULW-NXEZZACHSA-N 2 2 234.303 0.381 20 0 BCADLP O=C(NCC[NH2+]C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000637828511 351676881 /nfs/dbraw/zinc/67/68/81/351676881.db2.gz PZLJNHQGDUOULW-NXEZZACHSA-N 2 2 234.303 0.381 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000637834874 351689170 /nfs/dbraw/zinc/68/91/70/351689170.db2.gz AVMWUXKLSHYKKB-SECBINFHSA-N 2 2 222.292 0.081 20 0 BCADLP CCc1c[nH]c(CC(=O)N2CC[C@H]([NH3+])C2)[nH+]1 ZINC000637821816 351666563 /nfs/dbraw/zinc/66/65/63/351666563.db2.gz VLAKOJZOPIEKBT-QMMMGPOBSA-N 2 2 222.292 0.074 20 0 BCADLP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000637823708 351668802 /nfs/dbraw/zinc/66/88/02/351668802.db2.gz KDZPTTJPEQTQHW-HBNTYKKESA-N 2 2 248.330 0.724 20 0 BCADLP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000637823708 351668804 /nfs/dbraw/zinc/66/88/04/351668804.db2.gz KDZPTTJPEQTQHW-HBNTYKKESA-N 2 2 248.330 0.724 20 0 BCADLP CCCCNC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287613 351752397 /nfs/dbraw/zinc/75/23/97/351752397.db2.gz OSWTWSGEJJRRNE-PHIMTYICSA-N 2 2 225.336 0.054 20 0 BCADLP CCCCNC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287613 351752400 /nfs/dbraw/zinc/75/24/00/351752400.db2.gz OSWTWSGEJJRRNE-PHIMTYICSA-N 2 2 225.336 0.054 20 0 BCADLP CCCCNC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000088287620 351752473 /nfs/dbraw/zinc/75/24/73/351752473.db2.gz OSWTWSGEJJRRNE-QWRGUYRKSA-N 2 2 225.336 0.054 20 0 BCADLP Cc1cc(C[NH3+])oc1C(=O)NCCn1cc[nH+]c1 ZINC000638051282 351928687 /nfs/dbraw/zinc/92/86/87/351928687.db2.gz DTLBQPWIRYLIEQ-UHFFFAOYSA-N 2 2 248.286 0.673 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638097825 351978915 /nfs/dbraw/zinc/97/89/15/351978915.db2.gz HDPVGWBMVQKBDL-SNVBAGLBSA-N 2 2 217.272 0.798 20 0 BCADLP C[C@@H](C[NH2+]CC1(O)CCCC1)[NH+](C)C ZINC000083587066 351996332 /nfs/dbraw/zinc/99/63/32/351996332.db2.gz BTLVVUALIWKBNC-JTQLQIEISA-N 2 2 200.326 0.831 20 0 BCADLP CCc1c[nH]c(CC(=O)NC[C@@H]([NH3+])C2CC2)[nH+]1 ZINC000638152411 352016623 /nfs/dbraw/zinc/01/66/23/352016623.db2.gz FNYOTRDBIZPOKP-SNVBAGLBSA-N 2 2 236.319 0.368 20 0 BCADLP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638256656 352099895 /nfs/dbraw/zinc/09/98/95/352099895.db2.gz QHJVPMAQFFSTLZ-RBXMUDONSA-N 2 2 222.292 0.365 20 0 BCADLP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638256656 352099897 /nfs/dbraw/zinc/09/98/97/352099897.db2.gz QHJVPMAQFFSTLZ-RBXMUDONSA-N 2 2 222.292 0.365 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000638257753 352101212 /nfs/dbraw/zinc/10/12/12/352101212.db2.gz WHYOJIFZPZKPAP-RNFRBKRXSA-N 2 2 210.281 0.113 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000638257753 352101214 /nfs/dbraw/zinc/10/12/14/352101214.db2.gz WHYOJIFZPZKPAP-RNFRBKRXSA-N 2 2 210.281 0.113 20 0 BCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1(C[NH3+])CCC1 ZINC000638263785 352105813 /nfs/dbraw/zinc/10/58/13/352105813.db2.gz ZWEVQQKXVWUCLW-NXEZZACHSA-N 2 2 248.330 0.853 20 0 BCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1(C[NH3+])CCC1 ZINC000638263785 352105815 /nfs/dbraw/zinc/10/58/15/352105815.db2.gz ZWEVQQKXVWUCLW-NXEZZACHSA-N 2 2 248.330 0.853 20 0 BCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638369817 352180204 /nfs/dbraw/zinc/18/02/04/352180204.db2.gz VAQJDOXBABEKEA-AXTSPUMRSA-N 2 2 236.319 0.755 20 0 BCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638369817 352180207 /nfs/dbraw/zinc/18/02/07/352180207.db2.gz VAQJDOXBABEKEA-AXTSPUMRSA-N 2 2 236.319 0.755 20 0 BCADLP C[C@@H](NC(=O)C[C@H](C)[NH3+])c1[nH+]ccn1C ZINC000638428948 352236796 /nfs/dbraw/zinc/23/67/96/352236796.db2.gz FFQLEGYAEXUOGP-JGVFFNPUSA-N 2 2 210.281 0.335 20 0 BCADLP C[C@]1(C[NH2+]Cc2cc[nH]n2)CCC[NH2+]C1 ZINC000414915578 352262320 /nfs/dbraw/zinc/26/23/20/352262320.db2.gz ZQRLLWXMNGVLML-NSHDSACASA-N 2 2 208.309 0.889 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000638442077 352249016 /nfs/dbraw/zinc/24/90/16/352249016.db2.gz OBGJLQPEMPSVEC-MFKMUULPSA-N 2 2 248.330 0.600 20 0 BCADLP CC(C)COCC[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261527579 535176816 /nfs/dbraw/zinc/17/68/16/535176816.db2.gz CZTDDNTWGONACU-GHMZBOCLSA-N 2 2 200.326 0.938 20 0 BCADLP CC(C)COCC[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261527579 535176823 /nfs/dbraw/zinc/17/68/23/535176823.db2.gz CZTDDNTWGONACU-GHMZBOCLSA-N 2 2 200.326 0.938 20 0 BCADLP C[C@@H](O)C[N@H+](CC[NH3+])Cc1ccccc1 ZINC000083676518 352334998 /nfs/dbraw/zinc/33/49/98/352334998.db2.gz SALCYRFQRKDLSJ-LLVKDONJSA-N 2 2 208.305 0.828 20 0 BCADLP C[C@@H](O)C[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000083676518 352335001 /nfs/dbraw/zinc/33/50/01/352335001.db2.gz SALCYRFQRKDLSJ-LLVKDONJSA-N 2 2 208.305 0.828 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000638596523 352426286 /nfs/dbraw/zinc/42/62/86/352426286.db2.gz LFTCYEHBZDCJCJ-QWHCGFSZSA-N 2 2 241.379 0.391 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000638596523 352426291 /nfs/dbraw/zinc/42/62/91/352426291.db2.gz LFTCYEHBZDCJCJ-QWHCGFSZSA-N 2 2 241.379 0.391 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)[C@@H]1CC1(F)F ZINC000638597476 352429235 /nfs/dbraw/zinc/42/92/35/352429235.db2.gz XIBNTHUJUVZMSC-AXFHLTTASA-N 2 2 247.333 0.866 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)[C@@H]1CC1(F)F ZINC000638597476 352429238 /nfs/dbraw/zinc/42/92/38/352429238.db2.gz XIBNTHUJUVZMSC-AXFHLTTASA-N 2 2 247.333 0.866 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N(C1CC1)C1CC1 ZINC000638574126 352403817 /nfs/dbraw/zinc/40/38/17/352403817.db2.gz PSLUMWLBNNMTOO-NSHDSACASA-N 2 2 225.336 0.419 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC000638576667 352407584 /nfs/dbraw/zinc/40/75/84/352407584.db2.gz QAZIZYVAXNIUGD-VHSXEESVSA-N 2 2 236.319 0.517 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Cc1[nH+]c[nH]c1C ZINC000638576667 352407587 /nfs/dbraw/zinc/40/75/87/352407587.db2.gz QAZIZYVAXNIUGD-VHSXEESVSA-N 2 2 236.319 0.517 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cn(C)nn2)[C@H](C)C1 ZINC000607957053 352468503 /nfs/dbraw/zinc/46/85/03/352468503.db2.gz VQQNIKKBWKLNIW-ZYHUDNBSSA-N 2 2 237.351 0.635 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cn(C)nn2)[C@H](C)C1 ZINC000607957053 352468504 /nfs/dbraw/zinc/46/85/04/352468504.db2.gz VQQNIKKBWKLNIW-ZYHUDNBSSA-N 2 2 237.351 0.635 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000638772448 352714834 /nfs/dbraw/zinc/71/48/34/352714834.db2.gz AACFAXQDKYDTRP-HBNTYKKESA-N 2 2 248.330 0.312 20 0 BCADLP C[C@H](CC(=O)N[C@@H]1CC[NH2+]C1)n1cc[nH+]c1 ZINC000638792613 352754357 /nfs/dbraw/zinc/75/43/57/352754357.db2.gz OPHRGPDGULUENV-NXEZZACHSA-N 2 2 222.292 0.312 20 0 BCADLP C[C@@H](CC(=O)N[C@@H]1CC[NH2+]C1)n1cc[nH+]c1 ZINC000638792614 352754509 /nfs/dbraw/zinc/75/45/09/352754509.db2.gz OPHRGPDGULUENV-VHSXEESVSA-N 2 2 222.292 0.312 20 0 BCADLP C[C@H]1[C@@H](CO)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000412068154 191251607 /nfs/dbraw/zinc/25/16/07/191251607.db2.gz DYLYPJMGVVAPFA-NWDGAFQWSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H]1[C@@H](CO)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000412068154 191251609 /nfs/dbraw/zinc/25/16/09/191251609.db2.gz DYLYPJMGVVAPFA-NWDGAFQWSA-N 2 2 223.320 0.976 20 0 BCADLP CC(C)[NH+]1CCC([NH2+]CC(=O)NC2CC2)CC1 ZINC000035141803 187906558 /nfs/dbraw/zinc/90/65/58/187906558.db2.gz PISHDWFEUIKUAY-UHFFFAOYSA-N 2 2 239.363 0.727 20 0 BCADLP C[NH+]1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000334315476 352946693 /nfs/dbraw/zinc/94/66/93/352946693.db2.gz NPOHCYZAFFAKRP-UHFFFAOYSA-N 2 2 237.347 0.389 20 0 BCADLP CN(C)C(=O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000334372473 353025180 /nfs/dbraw/zinc/02/51/80/353025180.db2.gz YSOPISQPAASQOL-UHFFFAOYSA-N 2 2 239.363 0.635 20 0 BCADLP CN(C)C(=O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000334372473 353025184 /nfs/dbraw/zinc/02/51/84/353025184.db2.gz YSOPISQPAASQOL-UHFFFAOYSA-N 2 2 239.363 0.635 20 0 BCADLP CO[C@@H](C[NH2+]CC[NH+]1CCCC1)[C@H]1CCOC1 ZINC000638861851 353031246 /nfs/dbraw/zinc/03/12/46/353031246.db2.gz AISUMXSGIXAIST-STQMWFEESA-N 2 2 242.363 0.723 20 0 BCADLP CC[C@](C)(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000638858409 353035082 /nfs/dbraw/zinc/03/50/82/353035082.db2.gz PBKOMABUHAZEKW-AAEUAGOBSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@@H](Cc1cnccn1)[NH2+]C[C@H](C)[NH+](C)C ZINC000638866233 353040302 /nfs/dbraw/zinc/04/03/02/353040302.db2.gz PLJSUFTWYPMYKL-QWRGUYRKSA-N 2 2 222.336 0.947 20 0 BCADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000638871819 353042706 /nfs/dbraw/zinc/04/27/06/353042706.db2.gz NYJDRDQNAKUHLH-VXGBXAGGSA-N 2 2 239.363 0.587 20 0 BCADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000638871819 353042708 /nfs/dbraw/zinc/04/27/08/353042708.db2.gz NYJDRDQNAKUHLH-VXGBXAGGSA-N 2 2 239.363 0.587 20 0 BCADLP C[C@H](CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)n1cc[nH+]c1 ZINC000638917678 353081745 /nfs/dbraw/zinc/08/17/45/353081745.db2.gz RWDUHFGOQZFPHY-VWYCJHECSA-N 2 2 234.303 0.407 20 0 BCADLP C[C@H](CC(=O)N1C[C@H]([NH3+])C[C@H]1C)n1cc[nH+]c1 ZINC000638928275 353088323 /nfs/dbraw/zinc/08/83/23/353088323.db2.gz HCXQJIMBWIPLFJ-GMTAPVOTSA-N 2 2 236.319 0.782 20 0 BCADLP C[C@@H](CC(=O)N1C[C@H]([NH3+])C[C@H]1C)n1cc[nH+]c1 ZINC000638928276 353088336 /nfs/dbraw/zinc/08/83/36/353088336.db2.gz HCXQJIMBWIPLFJ-HBNTYKKESA-N 2 2 236.319 0.782 20 0 BCADLP CCc1c[nH]c(CC(=O)N2C[C@H]([NH3+])C[C@H]2C)[nH+]1 ZINC000638929628 353090317 /nfs/dbraw/zinc/09/03/17/353090317.db2.gz GZEOOOFGRCVTFE-RKDXNWHRSA-N 2 2 236.319 0.463 20 0 BCADLP CCCC[C@@H]([NH3+])C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000037619573 358475081 /nfs/dbraw/zinc/47/50/81/358475081.db2.gz KDSUMGRRHJXUEQ-GHMZBOCLSA-N 2 2 238.335 0.905 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000049308641 353161470 /nfs/dbraw/zinc/16/14/70/353161470.db2.gz XXEZYIQFSVXGBX-NWDGAFQWSA-N 2 2 241.379 0.818 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000049308641 353161474 /nfs/dbraw/zinc/16/14/74/353161474.db2.gz XXEZYIQFSVXGBX-NWDGAFQWSA-N 2 2 241.379 0.818 20 0 BCADLP CC(C)([NH3+])CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000178267498 535207677 /nfs/dbraw/zinc/20/76/77/535207677.db2.gz ZXWKONUQUOFAHF-UHFFFAOYSA-N 2 2 232.287 0.801 20 0 BCADLP Cc1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)o1 ZINC000638990028 353223667 /nfs/dbraw/zinc/22/36/67/353223667.db2.gz HJQWUQPVQWFXJT-NSHDSACASA-N 2 2 239.319 0.483 20 0 BCADLP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000134560030 538113366 /nfs/dbraw/zinc/11/33/66/538113366.db2.gz RKFZLSWRRGRAPW-WCBMZHEXSA-N 2 2 226.324 0.291 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000639013562 353270866 /nfs/dbraw/zinc/27/08/66/353270866.db2.gz PIHKHPATHLBVNZ-BXKDBHETSA-N 2 2 234.303 0.368 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000639013566 353271087 /nfs/dbraw/zinc/27/10/87/353271087.db2.gz PIHKHPATHLBVNZ-SKDRFNHKSA-N 2 2 234.303 0.368 20 0 BCADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251848659 353292986 /nfs/dbraw/zinc/29/29/86/353292986.db2.gz MQJSRYNZBJWTQO-NOOOWODRSA-N 2 2 241.379 0.959 20 0 BCADLP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251848659 353292990 /nfs/dbraw/zinc/29/29/90/353292990.db2.gz MQJSRYNZBJWTQO-NOOOWODRSA-N 2 2 241.379 0.959 20 0 BCADLP C[C@H]1C[N@H+](CC(=O)N(C)C2CC2)CC[C@H]1[NH3+] ZINC000251891143 353293534 /nfs/dbraw/zinc/29/35/34/353293534.db2.gz VOKCQMVFBZWHEZ-GXSJLCMTSA-N 2 2 225.336 0.276 20 0 BCADLP C[C@H]1C[N@@H+](CC(=O)N(C)C2CC2)CC[C@H]1[NH3+] ZINC000251891143 353293537 /nfs/dbraw/zinc/29/35/37/353293537.db2.gz VOKCQMVFBZWHEZ-GXSJLCMTSA-N 2 2 225.336 0.276 20 0 BCADLP CC(C)(C)[C@H]([NH3+])C(=O)NCc1[nH]cc[nH+]1 ZINC000070646698 188287149 /nfs/dbraw/zinc/28/71/49/188287149.db2.gz HLIIHPNNSDWHCO-MRVPVSSYSA-N 2 2 210.281 0.399 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000563713866 353358340 /nfs/dbraw/zinc/35/83/40/353358340.db2.gz MXKFWNPVZOLCPV-RYUDHWBXSA-N 3 2 227.352 0.036 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000563713866 353358343 /nfs/dbraw/zinc/35/83/43/353358343.db2.gz MXKFWNPVZOLCPV-RYUDHWBXSA-N 3 2 227.352 0.036 20 0 BCADLP Cc1nnsc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000639049455 353344261 /nfs/dbraw/zinc/34/42/61/353344261.db2.gz RPKWAIGWCYYYDJ-JTQLQIEISA-N 2 2 242.348 0.003 20 0 BCADLP Cc1nnsc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000639049455 353344262 /nfs/dbraw/zinc/34/42/62/353344262.db2.gz RPKWAIGWCYYYDJ-JTQLQIEISA-N 2 2 242.348 0.003 20 0 BCADLP CC(C)([NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000169811047 188338093 /nfs/dbraw/zinc/33/80/93/188338093.db2.gz WSUHQYZSAHTKEJ-SECBINFHSA-N 2 2 236.319 0.853 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]C[C@](C)(CC)OC ZINC000639051991 353352503 /nfs/dbraw/zinc/35/25/03/353352503.db2.gz AWUQRVBOAIHOBD-LBPRGKRZSA-N 2 2 232.368 0.705 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]C[C@](C)(CC)OC ZINC000639051991 353352504 /nfs/dbraw/zinc/35/25/04/353352504.db2.gz AWUQRVBOAIHOBD-LBPRGKRZSA-N 2 2 232.368 0.705 20 0 BCADLP O=C1C[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)CCCN1 ZINC000639071197 353386799 /nfs/dbraw/zinc/38/67/99/353386799.db2.gz HRUBKXUSQHTXOV-MNOVXSKESA-N 2 2 248.330 0.456 20 0 BCADLP C[C@@H]1CO[C@H](CO)C[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000336702728 188359253 /nfs/dbraw/zinc/35/92/53/188359253.db2.gz MKPNUXARRBAXRC-UPJWGTAASA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1CO[C@H](CO)C[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000336702728 188359255 /nfs/dbraw/zinc/35/92/55/188359255.db2.gz MKPNUXARRBAXRC-UPJWGTAASA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1CO[C@H](CO)C[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000336702728 188359257 /nfs/dbraw/zinc/35/92/57/188359257.db2.gz MKPNUXARRBAXRC-UPJWGTAASA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1CO[C@H](CO)C[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000336702728 188359258 /nfs/dbraw/zinc/35/92/58/188359258.db2.gz MKPNUXARRBAXRC-UPJWGTAASA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H]1CC[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000135803655 538117008 /nfs/dbraw/zinc/11/70/08/538117008.db2.gz ZIJDAQAMCOMDPJ-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000297134446 188394978 /nfs/dbraw/zinc/39/49/78/188394978.db2.gz QFOJBXGQXFCOHX-ONEGZZNKSA-N 2 2 234.303 0.632 20 0 BCADLP COCC[N@H+](C)CCC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000343301766 353467281 /nfs/dbraw/zinc/46/72/81/353467281.db2.gz JFKLYYRADOPARY-CHWSQXEVSA-N 2 2 243.395 0.494 20 0 BCADLP COCC[N@@H+](C)CCC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000343301766 353467284 /nfs/dbraw/zinc/46/72/84/353467284.db2.gz JFKLYYRADOPARY-CHWSQXEVSA-N 2 2 243.395 0.494 20 0 BCADLP CC1=CC[N@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000334515381 353609813 /nfs/dbraw/zinc/60/98/13/353609813.db2.gz ZFAVVUSZDOUXPC-UHFFFAOYSA-N 2 2 237.347 0.412 20 0 BCADLP CC1=CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000334515381 353609816 /nfs/dbraw/zinc/60/98/16/353609816.db2.gz ZFAVVUSZDOUXPC-UHFFFAOYSA-N 2 2 237.347 0.412 20 0 BCADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000232496904 353727786 /nfs/dbraw/zinc/72/77/86/353727786.db2.gz GMWRAYSCFHVMJI-LBPRGKRZSA-N 2 2 227.352 0.572 20 0 BCADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000232496904 353727789 /nfs/dbraw/zinc/72/77/89/353727789.db2.gz GMWRAYSCFHVMJI-LBPRGKRZSA-N 2 2 227.352 0.572 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515609 353765941 /nfs/dbraw/zinc/76/59/41/353765941.db2.gz XLCALYBHJHNVCN-WDEREUQCSA-N 2 2 248.330 0.689 20 0 BCADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515609 353765944 /nfs/dbraw/zinc/76/59/44/353765944.db2.gz XLCALYBHJHNVCN-WDEREUQCSA-N 2 2 248.330 0.689 20 0 BCADLP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623175773 353972377 /nfs/dbraw/zinc/97/23/77/353972377.db2.gz MFIJBDBWEJZEAW-GHMZBOCLSA-N 2 2 248.330 0.266 20 0 BCADLP OC[C@@H]1CSCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000343767709 353980995 /nfs/dbraw/zinc/98/09/95/353980995.db2.gz ONZKGIZLZJKFKE-LLVKDONJSA-N 2 2 241.360 0.683 20 0 BCADLP OC[C@@H]1CSCC[N@H+]1CCCn1cc[nH+]c1 ZINC000343767709 353980999 /nfs/dbraw/zinc/98/09/99/353980999.db2.gz ONZKGIZLZJKFKE-LLVKDONJSA-N 2 2 241.360 0.683 20 0 BCADLP OC[C@H]1CSCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000343767711 353981208 /nfs/dbraw/zinc/98/12/08/353981208.db2.gz ONZKGIZLZJKFKE-NSHDSACASA-N 2 2 241.360 0.683 20 0 BCADLP OC[C@H]1CSCC[N@H+]1CCCn1cc[nH+]c1 ZINC000343767711 353981211 /nfs/dbraw/zinc/98/12/11/353981211.db2.gz ONZKGIZLZJKFKE-NSHDSACASA-N 2 2 241.360 0.683 20 0 BCADLP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1CCn2cc[nH+]c2C1 ZINC000623176045 354001969 /nfs/dbraw/zinc/00/19/69/354001969.db2.gz BRWYEQMYTZMRLN-QWRGUYRKSA-N 2 2 248.330 0.314 20 0 BCADLP CC(C)(C[NH3+])NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623176258 354010458 /nfs/dbraw/zinc/01/04/58/354010458.db2.gz QZBUCEAOXNKHEY-SECBINFHSA-N 2 2 236.319 0.299 20 0 BCADLP CC(C)([NH3+])CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623176377 354011025 /nfs/dbraw/zinc/01/10/25/354011025.db2.gz XTMSAFMCPDXKSU-VIFPVBQESA-N 2 2 236.319 0.299 20 0 BCADLP [NH3+][C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000623177403 354071609 /nfs/dbraw/zinc/07/16/09/354071609.db2.gz WMCRGOHIPSAVFX-QWRGUYRKSA-N 2 2 248.330 0.299 20 0 BCADLP CC(=O)N1CC[N@H+](C[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000334572947 354102243 /nfs/dbraw/zinc/10/22/43/354102243.db2.gz ZWRPQGNUPVXTOL-YPMHNXCESA-N 2 2 239.363 0.539 20 0 BCADLP CC(=O)N1CC[N@@H+](C[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000334572947 354102247 /nfs/dbraw/zinc/10/22/47/354102247.db2.gz ZWRPQGNUPVXTOL-YPMHNXCESA-N 2 2 239.363 0.539 20 0 BCADLP CN(C)C(=O)CC[NH2+]CC[NH2+]C(C)(C)C ZINC000230972429 363332614 /nfs/dbraw/zinc/33/26/14/363332614.db2.gz BAQOULJODCQRJE-UHFFFAOYSA-N 2 2 215.341 0.442 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCSC1 ZINC000231346766 363341800 /nfs/dbraw/zinc/34/18/00/363341800.db2.gz GEROOENLFVWSQO-GMTAPVOTSA-N 2 2 230.377 0.849 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCSC1 ZINC000231346773 363342022 /nfs/dbraw/zinc/34/20/22/363342022.db2.gz GEROOENLFVWSQO-MXWKQRLJSA-N 2 2 230.377 0.849 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000449740184 202016233 /nfs/dbraw/zinc/01/62/33/202016233.db2.gz NYQZRCGKXQXRBB-ADEWGFFLSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000449740184 202016234 /nfs/dbraw/zinc/01/62/34/202016234.db2.gz NYQZRCGKXQXRBB-ADEWGFFLSA-N 2 2 212.337 0.687 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)C1 ZINC000449747372 202018664 /nfs/dbraw/zinc/01/86/64/202018664.db2.gz WNIBBBNIABUWNA-WRWGMCAJSA-N 2 2 239.363 0.570 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)C1 ZINC000449747372 202018667 /nfs/dbraw/zinc/01/86/67/202018667.db2.gz WNIBBBNIABUWNA-WRWGMCAJSA-N 2 2 239.363 0.570 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCn2ccnn2)C1 ZINC000344312322 354220446 /nfs/dbraw/zinc/22/04/46/354220446.db2.gz XHNCJUJIFXUVLF-NWDGAFQWSA-N 2 2 237.351 0.598 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCn2ccnn2)C1 ZINC000344312322 354220449 /nfs/dbraw/zinc/22/04/49/354220449.db2.gz XHNCJUJIFXUVLF-NWDGAFQWSA-N 2 2 237.351 0.598 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(C(N)=O)nc1 ZINC000344974361 354386104 /nfs/dbraw/zinc/38/61/04/354386104.db2.gz PBJKLILWLSZTOP-SKDRFNHKSA-N 2 2 248.330 0.220 20 0 BCADLP c1cn([C@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)nn1 ZINC000578008231 366175939 /nfs/dbraw/zinc/17/59/39/366175939.db2.gz PZZLKESOLQOZLW-LBPRGKRZSA-N 2 2 246.318 0.812 20 0 BCADLP c1cn([C@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)nn1 ZINC000578008231 366175946 /nfs/dbraw/zinc/17/59/46/366175946.db2.gz PZZLKESOLQOZLW-LBPRGKRZSA-N 2 2 246.318 0.812 20 0 BCADLP CCC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000344773586 354360277 /nfs/dbraw/zinc/36/02/77/354360277.db2.gz LKQFESHJRSODTA-SDDRHHMPSA-N 2 2 239.363 0.537 20 0 BCADLP CCC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000344773586 354360281 /nfs/dbraw/zinc/36/02/81/354360281.db2.gz LKQFESHJRSODTA-SDDRHHMPSA-N 2 2 239.363 0.537 20 0 BCADLP CCC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000344773579 354360546 /nfs/dbraw/zinc/36/05/46/354360546.db2.gz LKQFESHJRSODTA-GRYCIOLGSA-N 2 2 239.363 0.537 20 0 BCADLP CCC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000344773579 354360548 /nfs/dbraw/zinc/36/05/48/354360548.db2.gz LKQFESHJRSODTA-GRYCIOLGSA-N 2 2 239.363 0.537 20 0 BCADLP Cn1cc(C[C@@H]2CC[N@H+](CC[NH3+])C2)cn1 ZINC000578016614 366182445 /nfs/dbraw/zinc/18/24/45/366182445.db2.gz DVMKIBWPGJJRCN-JTQLQIEISA-N 2 2 208.309 0.243 20 0 BCADLP Cn1cc(C[C@@H]2CC[N@@H+](CC[NH3+])C2)cn1 ZINC000578016614 366182450 /nfs/dbraw/zinc/18/24/50/366182450.db2.gz DVMKIBWPGJJRCN-JTQLQIEISA-N 2 2 208.309 0.243 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000334732981 354532587 /nfs/dbraw/zinc/53/25/87/354532587.db2.gz YQNCSTRXBZGLLS-JTQLQIEISA-N 2 2 234.303 0.320 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000334732981 354532591 /nfs/dbraw/zinc/53/25/91/354532591.db2.gz YQNCSTRXBZGLLS-JTQLQIEISA-N 2 2 234.303 0.320 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC[NH+]1CCOCC1 ZINC000351933157 134013961 /nfs/dbraw/zinc/01/39/61/134013961.db2.gz AJRCKWRQUXNACV-CHWSQXEVSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1CN(CC[NH+]2CCOCC2)[C@@H](C)C[N@H+]1C ZINC000351933163 134014203 /nfs/dbraw/zinc/01/42/03/134014203.db2.gz AJRCKWRQUXNACV-OLZOCXBDSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+]C1CCC(O)CC1 ZINC000235105713 363437278 /nfs/dbraw/zinc/43/72/78/363437278.db2.gz JNCCNNPNAVYUQU-WHXUTIOJSA-N 2 2 200.326 0.830 20 0 BCADLP C[NH+](C)CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000335201819 355036219 /nfs/dbraw/zinc/03/62/19/355036219.db2.gz XYOZMMNUZHBDCE-UHFFFAOYSA-N 2 2 236.319 0.677 20 0 BCADLP C[NH+](C)CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335201819 355036222 /nfs/dbraw/zinc/03/62/22/355036222.db2.gz XYOZMMNUZHBDCE-UHFFFAOYSA-N 2 2 236.319 0.677 20 0 BCADLP C(C[NH2+]C[C@H]1CCCOC1)C[NH+]1CCOCC1 ZINC000113463013 355006754 /nfs/dbraw/zinc/00/67/54/355006754.db2.gz XELLSWUQOJFJQN-CYBMUJFWSA-N 2 2 242.363 0.725 20 0 BCADLP CCOC(=O)C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000366956055 355105808 /nfs/dbraw/zinc/10/58/08/355105808.db2.gz WSZUWYGAFYMOMZ-NWDGAFQWSA-N 2 2 240.347 0.966 20 0 BCADLP CCOC(=O)C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000366956055 355105810 /nfs/dbraw/zinc/10/58/10/355105810.db2.gz WSZUWYGAFYMOMZ-NWDGAFQWSA-N 2 2 240.347 0.966 20 0 BCADLP CCOC(=O)C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000366956055 355105812 /nfs/dbraw/zinc/10/58/12/355105812.db2.gz WSZUWYGAFYMOMZ-NWDGAFQWSA-N 2 2 240.347 0.966 20 0 BCADLP CCOC(=O)C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000366956055 355105815 /nfs/dbraw/zinc/10/58/15/355105815.db2.gz WSZUWYGAFYMOMZ-NWDGAFQWSA-N 2 2 240.347 0.966 20 0 BCADLP COC(=O)[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346831265 355128815 /nfs/dbraw/zinc/12/88/15/355128815.db2.gz KIQVOIDRYSXPLL-QWRGUYRKSA-N 2 2 226.320 0.623 20 0 BCADLP COC(=O)[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346831265 355128817 /nfs/dbraw/zinc/12/88/17/355128817.db2.gz KIQVOIDRYSXPLL-QWRGUYRKSA-N 2 2 226.320 0.623 20 0 BCADLP OCC[N@@H+](Cc1cccnc1)C[C@@H]1CCC[NH2+]C1 ZINC000346840968 355133491 /nfs/dbraw/zinc/13/34/91/355133491.db2.gz GQQGESIBUNZJMM-CQSZACIVSA-N 2 2 249.358 0.876 20 0 BCADLP OCC[N@H+](Cc1cccnc1)C[C@@H]1CCC[NH2+]C1 ZINC000346840968 355133493 /nfs/dbraw/zinc/13/34/93/355133493.db2.gz GQQGESIBUNZJMM-CQSZACIVSA-N 2 2 249.358 0.876 20 0 BCADLP Cc1cc(NC(=O)CCOC2C[NH2+]C2)cc[nH+]1 ZINC000348986607 355336157 /nfs/dbraw/zinc/33/61/57/355336157.db2.gz CJGCOQNQVAMXQR-UHFFFAOYSA-N 2 2 235.287 0.129 20 0 BCADLP Cc1c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cnn1C ZINC000335786863 355436830 /nfs/dbraw/zinc/43/68/30/355436830.db2.gz DWZYBCNYZHQNMO-BETUJISGSA-N 2 2 234.347 0.722 20 0 BCADLP Cc1c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cnn1C ZINC000335786863 355436832 /nfs/dbraw/zinc/43/68/32/355436832.db2.gz DWZYBCNYZHQNMO-BETUJISGSA-N 2 2 234.347 0.722 20 0 BCADLP Cc1c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cnn1C ZINC000335786863 355436836 /nfs/dbraw/zinc/43/68/36/355436836.db2.gz DWZYBCNYZHQNMO-BETUJISGSA-N 2 2 234.347 0.722 20 0 BCADLP Cc1c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cnn1C ZINC000335786863 355436841 /nfs/dbraw/zinc/43/68/41/355436841.db2.gz DWZYBCNYZHQNMO-BETUJISGSA-N 2 2 234.347 0.722 20 0 BCADLP [NH2+]=C(NCC[NH+]1CCSCC1)NC1CC1 ZINC000226261380 181198374 /nfs/dbraw/zinc/19/83/74/181198374.db2.gz NWMATEIAUGYIET-UHFFFAOYSA-N 2 2 228.365 0.312 20 0 BCADLP [NH2+]=C(NO)[C@@H]1CCCC[N@H+]1CCCCCO ZINC000376078123 181200594 /nfs/dbraw/zinc/20/05/94/181200594.db2.gz CRQUHTZDZLYHPY-JTQLQIEISA-N 2 2 229.324 0.960 20 0 BCADLP [NH2+]=C(NO)[C@@H]1CCCC[N@@H+]1CCCCCO ZINC000376078123 181200597 /nfs/dbraw/zinc/20/05/97/181200597.db2.gz CRQUHTZDZLYHPY-JTQLQIEISA-N 2 2 229.324 0.960 20 0 BCADLP Cc1cccc2ncc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)n21 ZINC000415034393 191659273 /nfs/dbraw/zinc/65/92/73/191659273.db2.gz JKVMRRZUJMONSL-IMRBUKKESA-N 2 2 242.326 0.950 20 0 BCADLP CO[C@@H](C[N@H+](C)CC1C[NH+](C)C1)[C@@H]1CCOC1 ZINC000639308586 355664016 /nfs/dbraw/zinc/66/40/16/355664016.db2.gz DZQZZFCKONWTNK-OLZOCXBDSA-N 2 2 242.363 0.531 20 0 BCADLP CO[C@@H](C[N@@H+](C)CC1C[NH+](C)C1)[C@@H]1CCOC1 ZINC000639308586 355664019 /nfs/dbraw/zinc/66/40/19/355664019.db2.gz DZQZZFCKONWTNK-OLZOCXBDSA-N 2 2 242.363 0.531 20 0 BCADLP CO[C@]1(C[N@H+](C)CC2C[NH+](C)C2)CCOC1 ZINC000639310639 355664643 /nfs/dbraw/zinc/66/46/43/355664643.db2.gz UYJCZMGCMLADPI-LBPRGKRZSA-N 2 2 228.336 0.285 20 0 BCADLP CO[C@]1(C[N@@H+](C)CC2C[NH+](C)C2)CCOC1 ZINC000639310639 355664647 /nfs/dbraw/zinc/66/46/47/355664647.db2.gz UYJCZMGCMLADPI-LBPRGKRZSA-N 2 2 228.336 0.285 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+]CC2CCSCC2)C1 ZINC000639357593 355811942 /nfs/dbraw/zinc/81/19/42/355811942.db2.gz OUFBWEFFJRAHMB-LBPRGKRZSA-N 2 2 244.404 0.786 20 0 BCADLP O[C@H]1CC[N@@H+](CC[NH2+]CC2CCSCC2)C1 ZINC000639357593 355811948 /nfs/dbraw/zinc/81/19/48/355811948.db2.gz OUFBWEFFJRAHMB-LBPRGKRZSA-N 2 2 244.404 0.786 20 0 BCADLP CCC[NH+]1CCC([NH2+]CC(=O)NCC)CC1 ZINC000035135931 355846073 /nfs/dbraw/zinc/84/60/73/355846073.db2.gz AZVKJQGLFQZBBG-UHFFFAOYSA-N 2 2 227.352 0.587 20 0 BCADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC000351520930 356007905 /nfs/dbraw/zinc/00/79/05/356007905.db2.gz IKDWZYIYWPZSJK-LBPRGKRZSA-N 2 2 241.379 0.738 20 0 BCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC000351520930 356007907 /nfs/dbraw/zinc/00/79/07/356007907.db2.gz IKDWZYIYWPZSJK-LBPRGKRZSA-N 2 2 241.379 0.738 20 0 BCADLP C[NH+](C)C1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623256869 355983647 /nfs/dbraw/zinc/98/36/47/355983647.db2.gz YQXRJPCHMKRNHD-SECBINFHSA-N 2 2 234.303 0.018 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000167344163 355985175 /nfs/dbraw/zinc/98/51/75/355985175.db2.gz NNNASQUQBOHCHI-UWVGGRQHSA-N 2 2 225.336 0.337 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000167344163 355985176 /nfs/dbraw/zinc/98/51/76/355985176.db2.gz NNNASQUQBOHCHI-UWVGGRQHSA-N 2 2 225.336 0.337 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000167359969 355985746 /nfs/dbraw/zinc/98/57/46/355985746.db2.gz XOSCDSIIQAUYEB-VHSXEESVSA-N 2 2 227.352 0.583 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000167359969 355985749 /nfs/dbraw/zinc/98/57/49/355985749.db2.gz XOSCDSIIQAUYEB-VHSXEESVSA-N 2 2 227.352 0.583 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000167360175 355985881 /nfs/dbraw/zinc/98/58/81/355985881.db2.gz XOSCDSIIQAUYEB-UWVGGRQHSA-N 2 2 227.352 0.583 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000167360175 355985883 /nfs/dbraw/zinc/98/58/83/355985883.db2.gz XOSCDSIIQAUYEB-UWVGGRQHSA-N 2 2 227.352 0.583 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+](C)CC1(CO)CC1)C1CC1 ZINC000351649024 356045161 /nfs/dbraw/zinc/04/51/61/356045161.db2.gz LVNOCACLPYXICK-LBPRGKRZSA-N 2 2 242.363 0.146 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+](C)CC1(CO)CC1)C1CC1 ZINC000351649024 356045164 /nfs/dbraw/zinc/04/51/64/356045164.db2.gz LVNOCACLPYXICK-LBPRGKRZSA-N 2 2 242.363 0.146 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)CC1(CO)CC1 ZINC000351649024 356045166 /nfs/dbraw/zinc/04/51/66/356045166.db2.gz LVNOCACLPYXICK-LBPRGKRZSA-N 2 2 242.363 0.146 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)CC1(CO)CC1 ZINC000351649024 356045167 /nfs/dbraw/zinc/04/51/67/356045167.db2.gz LVNOCACLPYXICK-LBPRGKRZSA-N 2 2 242.363 0.146 20 0 BCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623258227 356065350 /nfs/dbraw/zinc/06/53/50/356065350.db2.gz LCUCYVPFSSNFPA-WDEREUQCSA-N 2 2 248.330 0.266 20 0 BCADLP CO[C@@H]1COC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000584350506 356064458 /nfs/dbraw/zinc/06/44/58/356064458.db2.gz NLGAJVNYBYGZKG-GHMZBOCLSA-N 2 2 214.309 0.084 20 0 BCADLP CC[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000167455251 356018987 /nfs/dbraw/zinc/01/89/87/356018987.db2.gz FDTUFZJAQZFWJE-GHMZBOCLSA-N 2 2 227.352 0.714 20 0 BCADLP CC[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000167455251 356018990 /nfs/dbraw/zinc/01/89/90/356018990.db2.gz FDTUFZJAQZFWJE-GHMZBOCLSA-N 2 2 227.352 0.714 20 0 BCADLP CN(Cc1[nH+]ccn1C)[C@H]1C[NH+]2CCC1CC2 ZINC000639398588 356117333 /nfs/dbraw/zinc/11/73/33/356117333.db2.gz RHKPLJYORXNTSW-LBPRGKRZSA-N 2 2 234.347 0.946 20 0 BCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623258227 356065352 /nfs/dbraw/zinc/06/53/52/356065352.db2.gz LCUCYVPFSSNFPA-WDEREUQCSA-N 2 2 248.330 0.266 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCn2ncnc2C1 ZINC000329913957 356143200 /nfs/dbraw/zinc/14/32/00/356143200.db2.gz CDUPUNMWSSAICD-UHFFFAOYSA-N 2 2 232.291 0.299 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCn2ncnc2C1 ZINC000329913957 356143203 /nfs/dbraw/zinc/14/32/03/356143203.db2.gz CDUPUNMWSSAICD-UHFFFAOYSA-N 2 2 232.291 0.299 20 0 BCADLP C[C@@H]1C[N@H+](CCN(C)C2CC[NH2+]CC2)CCO1 ZINC000420267870 192193110 /nfs/dbraw/zinc/19/31/10/192193110.db2.gz GEISSXQTULAXCV-GFCCVEGCSA-N 2 2 241.379 0.391 20 0 BCADLP C[C@@H]1C[N@@H+](CCN(C)C2CC[NH2+]CC2)CCO1 ZINC000420267870 192193112 /nfs/dbraw/zinc/19/31/12/192193112.db2.gz GEISSXQTULAXCV-GFCCVEGCSA-N 2 2 241.379 0.391 20 0 BCADLP C[C@@H](Nc1nc[nH+]c(N)c1Cl)[C@H](C)[NH3+] ZINC000420257126 192189279 /nfs/dbraw/zinc/18/92/79/192189279.db2.gz DNKXYUPYDZAWRU-CRCLSJGQSA-N 2 2 215.688 0.860 20 0 BCADLP C[C@@H]1CCCN(C(=O)C[NH2+]CC2([NH3+])CCC2)C1 ZINC000420300405 192206434 /nfs/dbraw/zinc/20/64/34/192206434.db2.gz CQKAHAFFXRIJHL-LLVKDONJSA-N 2 2 239.363 0.716 20 0 BCADLP CC[NH+](CC)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623265496 356298424 /nfs/dbraw/zinc/29/84/24/356298424.db2.gz HOYGHIVSTOFNPF-SNVBAGLBSA-N 2 2 236.319 0.266 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623265818 356299325 /nfs/dbraw/zinc/29/93/25/356299325.db2.gz LLHKYCPIAZCMPC-ONGXEEELSA-N 2 2 234.303 0.018 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623265818 356299329 /nfs/dbraw/zinc/29/93/29/356299329.db2.gz LLHKYCPIAZCMPC-ONGXEEELSA-N 2 2 234.303 0.018 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000336119384 134089712 /nfs/dbraw/zinc/08/97/12/134089712.db2.gz JXZMLHWECQRCKF-NEPJUHHUSA-N 2 2 241.379 0.879 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000336119384 134089713 /nfs/dbraw/zinc/08/97/13/134089713.db2.gz JXZMLHWECQRCKF-NEPJUHHUSA-N 2 2 241.379 0.879 20 0 BCADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)N2CCC2)CC1 ZINC000336119262 134089719 /nfs/dbraw/zinc/08/97/19/134089719.db2.gz SHOHIONAYZKGQN-GFCCVEGCSA-N 2 2 239.363 0.635 20 0 BCADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)CC1 ZINC000336119262 134089720 /nfs/dbraw/zinc/08/97/20/134089720.db2.gz SHOHIONAYZKGQN-GFCCVEGCSA-N 2 2 239.363 0.635 20 0 BCADLP CCOC(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420285569 192199835 /nfs/dbraw/zinc/19/98/35/192199835.db2.gz FFKYCMNOQNGYHE-MNOVXSKESA-N 2 2 226.320 0.766 20 0 BCADLP CCOC(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420285569 192199838 /nfs/dbraw/zinc/19/98/38/192199838.db2.gz FFKYCMNOQNGYHE-MNOVXSKESA-N 2 2 226.320 0.766 20 0 BCADLP CCOC(=O)CC[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000420283305 192200429 /nfs/dbraw/zinc/20/04/29/192200429.db2.gz BXEQSQINQQRIJN-QWRGUYRKSA-N 2 2 228.336 0.999 20 0 BCADLP CCOC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000420283305 192200430 /nfs/dbraw/zinc/20/04/30/192200430.db2.gz BXEQSQINQQRIJN-QWRGUYRKSA-N 2 2 228.336 0.999 20 0 BCADLP CO[C@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767300 356328541 /nfs/dbraw/zinc/32/85/41/356328541.db2.gz OAXZQORLJMRAJX-LLVKDONJSA-N 2 2 245.367 0.021 20 0 BCADLP CO[C@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767300 356328543 /nfs/dbraw/zinc/32/85/43/356328543.db2.gz OAXZQORLJMRAJX-LLVKDONJSA-N 2 2 245.367 0.021 20 0 BCADLP C[C@@H](c1cnccn1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282222 356314122 /nfs/dbraw/zinc/31/41/22/356314122.db2.gz MSUFRKLXEOEHGV-GARJFASQSA-N 2 2 218.304 0.689 20 0 BCADLP C[C@@H](c1cnccn1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282222 356314123 /nfs/dbraw/zinc/31/41/23/356314123.db2.gz MSUFRKLXEOEHGV-GARJFASQSA-N 2 2 218.304 0.689 20 0 BCADLP CCOC(=O)CC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000420289968 192202167 /nfs/dbraw/zinc/20/21/67/192202167.db2.gz IRMNJUXPIHNVHU-JTQLQIEISA-N 2 2 214.309 0.753 20 0 BCADLP CCOC(=O)CC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000420289968 192202169 /nfs/dbraw/zinc/20/21/69/192202169.db2.gz IRMNJUXPIHNVHU-JTQLQIEISA-N 2 2 214.309 0.753 20 0 BCADLP CC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000639494520 356319616 /nfs/dbraw/zinc/31/96/16/356319616.db2.gz IPKHUDDWIYVCRQ-LBPRGKRZSA-N 2 2 210.321 0.993 20 0 BCADLP CC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000639494520 356319619 /nfs/dbraw/zinc/31/96/19/356319619.db2.gz IPKHUDDWIYVCRQ-LBPRGKRZSA-N 2 2 210.321 0.993 20 0 BCADLP CC[N@H+](CCCO)CCc1c[nH+]cn1C ZINC000639507055 356334252 /nfs/dbraw/zinc/33/42/52/356334252.db2.gz WQTQJTOIJIIIQG-UHFFFAOYSA-N 2 2 211.309 0.667 20 0 BCADLP CC[N@@H+](CCCO)CCc1c[nH+]cn1C ZINC000639507055 356334253 /nfs/dbraw/zinc/33/42/53/356334253.db2.gz WQTQJTOIJIIIQG-UHFFFAOYSA-N 2 2 211.309 0.667 20 0 BCADLP CCOC(=O)CC[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420344717 192216580 /nfs/dbraw/zinc/21/65/80/192216580.db2.gz UJKSSCUGRXBJEX-MNOVXSKESA-N 2 2 228.336 0.999 20 0 BCADLP CCOC(=O)CC[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420344717 192216582 /nfs/dbraw/zinc/21/65/82/192216582.db2.gz UJKSSCUGRXBJEX-MNOVXSKESA-N 2 2 228.336 0.999 20 0 BCADLP CC(C)CNC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420353012 192217515 /nfs/dbraw/zinc/21/75/15/192217515.db2.gz BENNQMIUYXCNLR-SNVBAGLBSA-N 2 2 229.368 0.722 20 0 BCADLP CCCCNC(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420353408 192217658 /nfs/dbraw/zinc/21/76/58/192217658.db2.gz ALIAWTAXIRDQMB-DMDPSCGWSA-N 2 2 241.379 0.879 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](CC[C@H]2CCCCO2)CCO1 ZINC000420304796 192208872 /nfs/dbraw/zinc/20/88/72/192208872.db2.gz JCUXAMGSJXYBOX-VXGBXAGGSA-N 2 2 228.336 0.605 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)CCO1 ZINC000420304796 192208875 /nfs/dbraw/zinc/20/88/75/192208875.db2.gz JCUXAMGSJXYBOX-VXGBXAGGSA-N 2 2 228.336 0.605 20 0 BCADLP CC(C)NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420354290 192218727 /nfs/dbraw/zinc/21/87/27/192218727.db2.gz BBGQZKSFFGYEOX-JFGNBEQYSA-N 2 2 227.352 0.487 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000639503515 356330077 /nfs/dbraw/zinc/33/00/77/356330077.db2.gz MNPOBONANJANHJ-TXEJJXNPSA-N 2 2 221.304 0.826 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000639503515 356330080 /nfs/dbraw/zinc/33/00/80/356330080.db2.gz MNPOBONANJANHJ-TXEJJXNPSA-N 2 2 221.304 0.826 20 0 BCADLP CCOC(=O)CC1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000420356169 192220631 /nfs/dbraw/zinc/22/06/31/192220631.db2.gz FXQRXIGEJMPIIM-SNVBAGLBSA-N 2 2 228.336 0.999 20 0 BCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)N(C)C ZINC000420360693 192221736 /nfs/dbraw/zinc/22/17/36/192221736.db2.gz HIJFKLNPDXYMJH-WCABBAIRSA-N 2 2 213.325 0.051 20 0 BCADLP CCC[C@@]1(C)C(=O)NCC[N@H+]1CCC[NH2+]C ZINC000420367802 192225479 /nfs/dbraw/zinc/22/54/79/192225479.db2.gz WEJPSKHURCUZPG-LBPRGKRZSA-N 2 2 227.352 0.587 20 0 BCADLP CCC[C@@]1(C)C(=O)NCC[N@@H+]1CCC[NH2+]C ZINC000420367802 192225480 /nfs/dbraw/zinc/22/54/80/192225480.db2.gz WEJPSKHURCUZPG-LBPRGKRZSA-N 2 2 227.352 0.587 20 0 BCADLP [NH3+]CC[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000420378424 192234199 /nfs/dbraw/zinc/23/41/99/192234199.db2.gz UERNQRBWBZHLMT-AWEZNQCLSA-N 2 2 249.358 0.608 20 0 BCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC000420379142 192234212 /nfs/dbraw/zinc/23/42/12/192234212.db2.gz XLYZFTRSBOCGEB-GBIKHYSHSA-N 2 2 239.363 0.583 20 0 BCADLP COc1cccc(OCC[N@H+](C)CC[NH3+])c1 ZINC000420384045 192235802 /nfs/dbraw/zinc/23/58/02/192235802.db2.gz RDFPQGACTPLCQQ-UHFFFAOYSA-N 2 2 224.304 0.965 20 0 BCADLP COc1cccc(OCC[N@@H+](C)CC[NH3+])c1 ZINC000420384045 192235804 /nfs/dbraw/zinc/23/58/04/192235804.db2.gz RDFPQGACTPLCQQ-UHFFFAOYSA-N 2 2 224.304 0.965 20 0 BCADLP C[NH2+]CCC[N@H+](C)[C@H]1CCCN(C(C)C)C1=O ZINC000420393782 192236877 /nfs/dbraw/zinc/23/68/77/192236877.db2.gz YNYRAQBBKURTCE-LBPRGKRZSA-N 2 2 241.379 0.927 20 0 BCADLP C[NH2+]CCC[N@@H+](C)[C@H]1CCCN(C(C)C)C1=O ZINC000420393782 192236878 /nfs/dbraw/zinc/23/68/78/192236878.db2.gz YNYRAQBBKURTCE-LBPRGKRZSA-N 2 2 241.379 0.927 20 0 BCADLP [NH3+]CCC[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000420377229 192231446 /nfs/dbraw/zinc/23/14/46/192231446.db2.gz RZPRADLXZGDBJR-UHFFFAOYSA-N 2 2 238.310 0.692 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccnn1C ZINC000420377695 192232685 /nfs/dbraw/zinc/23/26/85/192232685.db2.gz WJSOOSIYEGHAJK-CKYFFXLPSA-N 2 2 222.336 0.896 20 0 BCADLP CC[C@H](C)[N@H+](CCC[NH2+]C)CC(=O)OC ZINC000420380474 192232768 /nfs/dbraw/zinc/23/27/68/192232768.db2.gz WVBXZOGWOAQPQS-JTQLQIEISA-N 2 2 216.325 0.869 20 0 BCADLP CC[C@H](C)[N@@H+](CCC[NH2+]C)CC(=O)OC ZINC000420380474 192232771 /nfs/dbraw/zinc/23/27/71/192232771.db2.gz WVBXZOGWOAQPQS-JTQLQIEISA-N 2 2 216.325 0.869 20 0 BCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC000420379695 192232827 /nfs/dbraw/zinc/23/28/27/192232827.db2.gz XYMVQTCSACJQMJ-NRUUGDAUSA-N 2 2 239.363 0.489 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1ccnn1C ZINC000420377697 192233512 /nfs/dbraw/zinc/23/35/12/192233512.db2.gz WJSOOSIYEGHAJK-FOGDFJRCSA-N 2 2 222.336 0.896 20 0 BCADLP Nc1cc(N)[nH+]c(SCCn2cc[nH+]c2)n1 ZINC000041023839 358504923 /nfs/dbraw/zinc/50/49/23/358504923.db2.gz BQFJZSAYWCWHKY-UHFFFAOYSA-N 2 2 236.304 0.630 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000639554161 356456358 /nfs/dbraw/zinc/45/63/58/356456358.db2.gz BMMRDZKUEFKNKT-GFCCVEGCSA-N 2 2 248.330 0.269 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000639554161 356456362 /nfs/dbraw/zinc/45/63/62/356456362.db2.gz BMMRDZKUEFKNKT-GFCCVEGCSA-N 2 2 248.330 0.269 20 0 BCADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@H]1O ZINC000639558024 356462960 /nfs/dbraw/zinc/46/29/60/356462960.db2.gz WCEKJKLNRAPUTN-MWLCHTKSSA-N 2 2 209.293 0.275 20 0 BCADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@H]1O ZINC000639558024 356462966 /nfs/dbraw/zinc/46/29/66/356462966.db2.gz WCEKJKLNRAPUTN-MWLCHTKSSA-N 2 2 209.293 0.275 20 0 BCADLP NC(=O)[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182671967 181279598 /nfs/dbraw/zinc/27/95/98/181279598.db2.gz RHUNWIFDVSWFAU-LLVKDONJSA-N 2 2 236.319 0.613 20 0 BCADLP NC(=O)[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000182671967 181279599 /nfs/dbraw/zinc/27/95/99/181279599.db2.gz RHUNWIFDVSWFAU-LLVKDONJSA-N 2 2 236.319 0.613 20 0 BCADLP Cc1cn2c(n1)C[N@H+](CCc1c[nH+]cn1C)CC2 ZINC000639575657 356502770 /nfs/dbraw/zinc/50/27/70/356502770.db2.gz GWHKIAIFZWFPIL-UHFFFAOYSA-N 2 2 245.330 0.983 20 0 BCADLP Cc1cn2c(n1)C[N@@H+](CCc1c[nH+]cn1C)CC2 ZINC000639575657 356502771 /nfs/dbraw/zinc/50/27/71/356502771.db2.gz GWHKIAIFZWFPIL-UHFFFAOYSA-N 2 2 245.330 0.983 20 0 BCADLP C[C@H]1C[N@H+](CCc2c[nH+]cn2C)CC[C@H]1O ZINC000639600401 356520323 /nfs/dbraw/zinc/52/03/23/356520323.db2.gz YFNRFQMUVZQGBT-CMPLNLGQSA-N 2 2 223.320 0.665 20 0 BCADLP C[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CC[C@H]1O ZINC000639600401 356520326 /nfs/dbraw/zinc/52/03/26/356520326.db2.gz YFNRFQMUVZQGBT-CMPLNLGQSA-N 2 2 223.320 0.665 20 0 BCADLP C[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@H]1CO ZINC000639604085 356524583 /nfs/dbraw/zinc/52/45/83/356524583.db2.gz JTFQQUDZMOTMPP-PWSUYJOCSA-N 2 2 223.320 0.665 20 0 BCADLP C[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@H]1CO ZINC000639604085 356524585 /nfs/dbraw/zinc/52/45/85/356524585.db2.gz JTFQQUDZMOTMPP-PWSUYJOCSA-N 2 2 223.320 0.665 20 0 BCADLP CC[NH+](CC)CCC[N@@H+]1CC[C@H](NC(C)=O)C1 ZINC000420958587 192281094 /nfs/dbraw/zinc/28/10/94/192281094.db2.gz PJYRCEQLUNJUIR-ZDUSSCGKSA-N 2 2 241.379 0.929 20 0 BCADLP CC[NH+](CC)CCC[N@H+]1CC[C@H](NC(C)=O)C1 ZINC000420958587 192281096 /nfs/dbraw/zinc/28/10/96/192281096.db2.gz PJYRCEQLUNJUIR-ZDUSSCGKSA-N 2 2 241.379 0.929 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000639615924 356533472 /nfs/dbraw/zinc/53/34/72/356533472.db2.gz VEKBXSFOUSWTQF-ZDUSSCGKSA-N 2 2 248.330 0.175 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000639615924 356533473 /nfs/dbraw/zinc/53/34/73/356533473.db2.gz VEKBXSFOUSWTQF-ZDUSSCGKSA-N 2 2 248.330 0.175 20 0 BCADLP CN(Cc1[nH+]ccn1C)C[C@H]1CCC[N@@H+]1C ZINC000420997255 192294976 /nfs/dbraw/zinc/29/49/76/192294976.db2.gz GVSDOSAICXBWOY-LLVKDONJSA-N 2 2 222.336 0.946 20 0 BCADLP CN(Cc1[nH+]ccn1C)C[C@H]1CCC[N@H+]1C ZINC000420997255 192294978 /nfs/dbraw/zinc/29/49/78/192294978.db2.gz GVSDOSAICXBWOY-LLVKDONJSA-N 2 2 222.336 0.946 20 0 BCADLP CO[C@H](C)C[N@H+](C)CCc1c[nH+]cn1C ZINC000639644718 356557741 /nfs/dbraw/zinc/55/77/41/356557741.db2.gz ZWFVRSBOYGFDCP-SNVBAGLBSA-N 2 2 211.309 0.929 20 0 BCADLP CO[C@H](C)C[N@@H+](C)CCc1c[nH+]cn1C ZINC000639644718 356557746 /nfs/dbraw/zinc/55/77/46/356557746.db2.gz ZWFVRSBOYGFDCP-SNVBAGLBSA-N 2 2 211.309 0.929 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)C1(CO)CCC1 ZINC000639655707 356561540 /nfs/dbraw/zinc/56/15/40/356561540.db2.gz UMMXTNDHFVNDJH-UHFFFAOYSA-N 2 2 223.320 0.809 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)C1(CO)CCC1 ZINC000639655707 356561543 /nfs/dbraw/zinc/56/15/43/356561543.db2.gz UMMXTNDHFVNDJH-UHFFFAOYSA-N 2 2 223.320 0.809 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000336212058 134134502 /nfs/dbraw/zinc/13/45/02/134134502.db2.gz FHCJAFXJFAHZOZ-BDAKNGLRSA-N 2 2 232.287 0.800 20 0 BCADLP C[C@@H](O)[C@H]1C[N@H+](CCc2c[nH+]cn2C)CCO1 ZINC000639674141 356590369 /nfs/dbraw/zinc/59/03/69/356590369.db2.gz QZWUWHXJOSKNCV-ZYHUDNBSSA-N 2 2 239.319 0.044 20 0 BCADLP C[C@@H](O)[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CCO1 ZINC000639674141 356590370 /nfs/dbraw/zinc/59/03/70/356590370.db2.gz QZWUWHXJOSKNCV-ZYHUDNBSSA-N 2 2 239.319 0.044 20 0 BCADLP CC(=O)N[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639673567 356590529 /nfs/dbraw/zinc/59/05/29/356590529.db2.gz FUMWOKOYKOTHNM-LLVKDONJSA-N 2 2 236.319 0.173 20 0 BCADLP CC(=O)N[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639673567 356590530 /nfs/dbraw/zinc/59/05/30/356590530.db2.gz FUMWOKOYKOTHNM-LLVKDONJSA-N 2 2 236.319 0.173 20 0 BCADLP C[C@@H]1[C@H](O)CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000639663053 356576140 /nfs/dbraw/zinc/57/61/40/356576140.db2.gz PVNTYNZHTCPWNS-ZYHUDNBSSA-N 2 2 223.320 0.808 20 0 BCADLP C[C@@H]1[C@H](O)CCC[N@H+]1CCc1c[nH+]cn1C ZINC000639663053 356576144 /nfs/dbraw/zinc/57/61/44/356576144.db2.gz PVNTYNZHTCPWNS-ZYHUDNBSSA-N 2 2 223.320 0.808 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)[C@H]1CCCC[NH2+]1 ZINC000422958266 192525342 /nfs/dbraw/zinc/52/53/42/192525342.db2.gz OXMSGYLECSQJHU-GMTAPVOTSA-N 2 2 225.336 0.337 20 0 BCADLP CC(C)N1CC[C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1=O ZINC000422982497 192518122 /nfs/dbraw/zinc/51/81/22/192518122.db2.gz QXLBJYISHKPVAM-QJPTWQEYSA-N 2 2 239.363 0.726 20 0 BCADLP C/C=C\C[C@H](CO)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000423053594 192552999 /nfs/dbraw/zinc/55/29/99/192552999.db2.gz RZYTUVCIQYZSSP-ISVJBFRGSA-N 2 2 242.363 0.670 20 0 BCADLP C[NH+]1CCC2(CC[N@H+](CCc3cnn[nH]3)C2)CC1 ZINC000639755198 356658487 /nfs/dbraw/zinc/65/84/87/356658487.db2.gz HUCULVXKZZCIPW-UHFFFAOYSA-N 2 2 249.362 0.765 20 0 BCADLP C[NH+]1CCC2(CC[N@@H+](CCc3cnn[nH]3)C2)CC1 ZINC000639755198 356658491 /nfs/dbraw/zinc/65/84/91/356658491.db2.gz HUCULVXKZZCIPW-UHFFFAOYSA-N 2 2 249.362 0.765 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCCn2ccnn2)C[N@@H+]1C1CC1 ZINC000168141927 134156026 /nfs/dbraw/zinc/15/60/26/134156026.db2.gz YUNSQULSRMSBGX-NWDGAFQWSA-N 2 2 249.362 0.883 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCCn2ccnn2)C[N@H+]1C1CC1 ZINC000168141927 134156027 /nfs/dbraw/zinc/15/60/27/134156027.db2.gz YUNSQULSRMSBGX-NWDGAFQWSA-N 2 2 249.362 0.883 20 0 BCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2cn[nH]c2)C1 ZINC000639765357 356692221 /nfs/dbraw/zinc/69/22/21/356692221.db2.gz IPAQJBBJWSVRHS-GFCCVEGCSA-N 2 2 238.335 0.298 20 0 BCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2cn[nH]c2)C1 ZINC000639765357 356692225 /nfs/dbraw/zinc/69/22/25/356692225.db2.gz IPAQJBBJWSVRHS-GFCCVEGCSA-N 2 2 238.335 0.298 20 0 BCADLP CCN(CCC[NH+](C)C)C(=O)Cn1cc[nH+]c1 ZINC000578154117 366333269 /nfs/dbraw/zinc/33/32/69/366333269.db2.gz IEBKRIRSCVGFRR-UHFFFAOYSA-N 2 2 238.335 0.683 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000035105624 356702988 /nfs/dbraw/zinc/70/29/88/356702988.db2.gz KXPZVOFVYHGWFG-GHMZBOCLSA-N 2 2 227.352 0.572 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000035105624 356702992 /nfs/dbraw/zinc/70/29/92/356702992.db2.gz KXPZVOFVYHGWFG-GHMZBOCLSA-N 2 2 227.352 0.572 20 0 BCADLP C[C@@]1(CO)C[C@H](O)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000639852727 356856586 /nfs/dbraw/zinc/85/65/86/356856586.db2.gz GWONJSHUUKWMRK-RYUDHWBXSA-N 2 2 239.319 0.091 20 0 BCADLP C[C@@]1(CO)C[C@H](O)C[N@H+]1CCCn1cc[nH+]c1 ZINC000639852727 356856587 /nfs/dbraw/zinc/85/65/87/356856587.db2.gz GWONJSHUUKWMRK-RYUDHWBXSA-N 2 2 239.319 0.091 20 0 BCADLP CC(C)[N@H+](C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000352808871 538727653 /nfs/dbraw/zinc/72/76/53/538727653.db2.gz CZBPWVJKFJWWML-UHFFFAOYSA-N 2 2 238.335 0.799 20 0 BCADLP CC(C)[N@@H+](C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000352808871 538727658 /nfs/dbraw/zinc/72/76/58/538727658.db2.gz CZBPWVJKFJWWML-UHFFFAOYSA-N 2 2 238.335 0.799 20 0 BCADLP CC(C)[N@H+](C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000352808871 538727661 /nfs/dbraw/zinc/72/76/61/538727661.db2.gz CZBPWVJKFJWWML-UHFFFAOYSA-N 2 2 238.335 0.799 20 0 BCADLP CC(C)[N@@H+](C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000352808871 538727669 /nfs/dbraw/zinc/72/76/69/538727669.db2.gz CZBPWVJKFJWWML-UHFFFAOYSA-N 2 2 238.335 0.799 20 0 BCADLP CC[C@@H](C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)OC ZINC000582309233 357047602 /nfs/dbraw/zinc/04/76/02/357047602.db2.gz VISYJUMHMHWHOL-NSHDSACASA-N 2 2 238.335 0.957 20 0 BCADLP CCn1nncc1C[NH2+]C1CC([NH+](C)C)C1 ZINC000582311703 357051695 /nfs/dbraw/zinc/05/16/95/357051695.db2.gz UYKLCSDKWBEKEH-UHFFFAOYSA-N 2 2 223.324 0.480 20 0 BCADLP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000423211468 192628914 /nfs/dbraw/zinc/62/89/14/192628914.db2.gz YHLWGOWYVBIPKV-CHWSQXEVSA-N 3 2 240.395 0.012 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000390680905 357114137 /nfs/dbraw/zinc/11/41/37/357114137.db2.gz ZQXGWOPTTRKGRK-WOPDTQHZSA-N 3 2 211.353 0.655 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000390680905 357114140 /nfs/dbraw/zinc/11/41/40/357114140.db2.gz ZQXGWOPTTRKGRK-WOPDTQHZSA-N 3 2 211.353 0.655 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)CC(C)(C)OC ZINC000390460573 357094407 /nfs/dbraw/zinc/09/44/07/357094407.db2.gz CAOCFYBPQNUEPL-NSHDSACASA-N 2 2 232.368 0.656 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CC(C)(C)OC ZINC000390460573 357094411 /nfs/dbraw/zinc/09/44/11/357094411.db2.gz CAOCFYBPQNUEPL-NSHDSACASA-N 2 2 232.368 0.656 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CC(C)(C)OC ZINC000390460573 357094417 /nfs/dbraw/zinc/09/44/17/357094417.db2.gz CAOCFYBPQNUEPL-NSHDSACASA-N 2 2 232.368 0.656 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CC(C)(C)OC ZINC000390460573 357094419 /nfs/dbraw/zinc/09/44/19/357094419.db2.gz CAOCFYBPQNUEPL-NSHDSACASA-N 2 2 232.368 0.656 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)C1 ZINC000390496151 357096340 /nfs/dbraw/zinc/09/63/40/357096340.db2.gz RIJLFCHZWPUZHQ-VXGBXAGGSA-N 2 2 230.352 0.267 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)C1 ZINC000390496151 357096342 /nfs/dbraw/zinc/09/63/42/357096342.db2.gz RIJLFCHZWPUZHQ-VXGBXAGGSA-N 2 2 230.352 0.267 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C)C1 ZINC000390496151 357096345 /nfs/dbraw/zinc/09/63/45/357096345.db2.gz RIJLFCHZWPUZHQ-VXGBXAGGSA-N 2 2 230.352 0.267 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C)C1 ZINC000390496151 357096348 /nfs/dbraw/zinc/09/63/48/357096348.db2.gz RIJLFCHZWPUZHQ-VXGBXAGGSA-N 2 2 230.352 0.267 20 0 BCADLP Cc1cc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)ccn1 ZINC000391160642 357124278 /nfs/dbraw/zinc/12/42/78/357124278.db2.gz CHPYOXREUBODHE-CQSZACIVSA-N 2 2 249.358 0.935 20 0 BCADLP Cc1cc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)ccn1 ZINC000391160642 357124281 /nfs/dbraw/zinc/12/42/81/357124281.db2.gz CHPYOXREUBODHE-CQSZACIVSA-N 2 2 249.358 0.935 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)OCCO)n1C ZINC000583704837 357284453 /nfs/dbraw/zinc/28/44/53/357284453.db2.gz SWHXHPCDLRXFRD-UHFFFAOYSA-N 2 2 241.335 0.606 20 0 BCADLP O=C(C[NH2+][C@@H]1CCC[NH2+]C1)NCC(F)(F)F ZINC000393675174 357292746 /nfs/dbraw/zinc/29/27/46/357292746.db2.gz USRIVAWGSBKADD-SSDOTTSWSA-N 2 2 239.241 0.007 20 0 BCADLP CC[C@H]([NH3+])C(=O)N(C)CCCn1cc[nH+]c1 ZINC000393762531 357297533 /nfs/dbraw/zinc/29/75/33/357297533.db2.gz YMRSPOXMMPBIOH-JTQLQIEISA-N 2 2 224.308 0.469 20 0 BCADLP C[NH+]1CCN(C(=O)C[NH2+]C2(C3CC3)CC2)CC1 ZINC000544414618 325142369 /nfs/dbraw/zinc/14/23/69/325142369.db2.gz IBWSCNZNPTZHAN-UHFFFAOYSA-N 2 2 237.347 0.293 20 0 BCADLP C[C@H](CC(=O)N1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000582608146 357350262 /nfs/dbraw/zinc/35/02/62/357350262.db2.gz CAQPHWHFKGYIHA-LLVKDONJSA-N 2 2 236.319 0.608 20 0 BCADLP [NH3+]CCNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000063180586 357552801 /nfs/dbraw/zinc/55/28/01/357552801.db2.gz DNJMUKSGHSKVNR-LLVKDONJSA-N 2 2 248.330 0.373 20 0 BCADLP Cc1c[nH+]ccc1CC[NH2+]CCC(N)=O ZINC000397652241 357618468 /nfs/dbraw/zinc/61/84/68/357618468.db2.gz ZTKSUDKFJHOBOK-UHFFFAOYSA-N 2 2 207.277 0.398 20 0 BCADLP C[C@@H]1C(=O)NCCC[N@H+]1CCC[NH+]1CCCC1 ZINC000189329053 357632068 /nfs/dbraw/zinc/63/20/68/357632068.db2.gz VQSJTMISANOECM-GFCCVEGCSA-N 2 2 239.363 0.683 20 0 BCADLP C[C@@H]1C(=O)NCCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000189329053 357632072 /nfs/dbraw/zinc/63/20/72/357632072.db2.gz VQSJTMISANOECM-GFCCVEGCSA-N 2 2 239.363 0.683 20 0 BCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](CCC[NH3+])COC ZINC000233484050 357725580 /nfs/dbraw/zinc/72/55/80/357725580.db2.gz DHMDNWKGVBRSMD-QWHCGFSZSA-N 3 2 243.395 0.814 20 0 BCADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](CCC[NH3+])COC ZINC000233484050 357725585 /nfs/dbraw/zinc/72/55/85/357725585.db2.gz DHMDNWKGVBRSMD-QWHCGFSZSA-N 3 2 243.395 0.814 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)C1(CO)CCOCC1 ZINC000191001615 357741903 /nfs/dbraw/zinc/74/19/03/357741903.db2.gz ZZOIVFXLMWMVSO-UHFFFAOYSA-N 2 2 239.319 0.356 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)C1(CO)CCOCC1 ZINC000191001615 357741907 /nfs/dbraw/zinc/74/19/07/357741907.db2.gz ZZOIVFXLMWMVSO-UHFFFAOYSA-N 2 2 239.319 0.356 20 0 BCADLP C[C@H]1CCCN(Cc2c[nH+]cn2C)[C@@H]1C[NH3+] ZINC000085170892 134224501 /nfs/dbraw/zinc/22/45/01/134224501.db2.gz HGLNFLSAZSXMSQ-CMPLNLGQSA-N 2 2 222.336 0.979 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]Cc2cn[nH]c2)CC[N@@H+]1C ZINC000090720550 363595732 /nfs/dbraw/zinc/59/57/32/363595732.db2.gz IBECXNCORDBSED-MWLCHTKSSA-N 2 2 208.309 0.982 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]Cc2cn[nH]c2)CC[N@H+]1C ZINC000090720550 363595737 /nfs/dbraw/zinc/59/57/37/363595737.db2.gz IBECXNCORDBSED-MWLCHTKSSA-N 2 2 208.309 0.982 20 0 BCADLP C[N@H+](CCCS(C)(=O)=O)[C@@H]1CCC[NH2+]CC1 ZINC000217935103 134251066 /nfs/dbraw/zinc/25/10/66/134251066.db2.gz POKCTTRPKLJQLM-LLVKDONJSA-N 2 2 248.392 0.495 20 0 BCADLP C[N@@H+](CCCS(C)(=O)=O)[C@@H]1CCC[NH2+]CC1 ZINC000217935103 134251067 /nfs/dbraw/zinc/25/10/67/134251067.db2.gz POKCTTRPKLJQLM-LLVKDONJSA-N 2 2 248.392 0.495 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)OC)C1 ZINC000221474950 358091683 /nfs/dbraw/zinc/09/16/83/358091683.db2.gz XZOCPNWHAOHLRU-UWVGGRQHSA-N 2 2 214.309 0.479 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)OC)C1 ZINC000221474950 358091686 /nfs/dbraw/zinc/09/16/86/358091686.db2.gz XZOCPNWHAOHLRU-UWVGGRQHSA-N 2 2 214.309 0.479 20 0 BCADLP C[C@H]([NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000169809074 134251843 /nfs/dbraw/zinc/25/18/43/134251843.db2.gz HGPFPQFQUCLDOE-DTWKUNHWSA-N 2 2 222.292 0.463 20 0 BCADLP CCC1([NH+](C)C)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC000640017272 358080390 /nfs/dbraw/zinc/08/03/90/358080390.db2.gz KBOKNBWRAKODAG-SNVBAGLBSA-N 2 2 227.352 0.666 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H](C)[C@H](C)CO)n1C ZINC000584733028 358165021 /nfs/dbraw/zinc/16/50/21/358165021.db2.gz WDWMMEKAHXYLLW-RKDXNWHRSA-N 2 2 211.309 0.835 20 0 BCADLP C[C@H]1CCN(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000584783016 358176898 /nfs/dbraw/zinc/17/68/98/358176898.db2.gz IOLPGLMWEAXVNW-QWRGUYRKSA-N 2 2 240.351 0.023 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000584873091 358207485 /nfs/dbraw/zinc/20/74/85/358207485.db2.gz JWXOZXJSZGIIGA-RYUDHWBXSA-N 2 2 248.330 0.626 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000584873091 358207487 /nfs/dbraw/zinc/20/74/87/358207487.db2.gz JWXOZXJSZGIIGA-RYUDHWBXSA-N 2 2 248.330 0.626 20 0 BCADLP CC(C)OC[C@@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000042541275 358351976 /nfs/dbraw/zinc/35/19/76/358351976.db2.gz DRHVAYWXRHJJAE-NSHDSACASA-N 2 2 227.308 0.259 20 0 BCADLP Cn1nccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282255 134274850 /nfs/dbraw/zinc/27/48/50/134274850.db2.gz XSSPBIXDSAQIHE-AOOOYVTPSA-N 2 2 206.293 0.071 20 0 BCADLP Cn1nccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282255 134274851 /nfs/dbraw/zinc/27/48/51/134274851.db2.gz XSSPBIXDSAQIHE-AOOOYVTPSA-N 2 2 206.293 0.071 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC000173904050 134278632 /nfs/dbraw/zinc/27/86/32/134278632.db2.gz NWMKIBWOMQSEHO-LLVKDONJSA-N 2 2 227.352 0.348 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC000173904050 134278633 /nfs/dbraw/zinc/27/86/33/134278633.db2.gz NWMKIBWOMQSEHO-LLVKDONJSA-N 2 2 227.352 0.348 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC000173904050 134278634 /nfs/dbraw/zinc/27/86/34/134278634.db2.gz NWMKIBWOMQSEHO-LLVKDONJSA-N 2 2 227.352 0.348 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC000173904050 134278635 /nfs/dbraw/zinc/27/86/35/134278635.db2.gz NWMKIBWOMQSEHO-LLVKDONJSA-N 2 2 227.352 0.348 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@@H]([NH3+])C2CC2)c[nH+]1 ZINC000564328228 325384105 /nfs/dbraw/zinc/38/41/05/325384105.db2.gz IWSKLCYLOONQTK-MRVPVSSYSA-N 2 2 208.265 0.185 20 0 BCADLP CC(C)([NH3+])C(=O)NCCCCn1cc[nH+]c1 ZINC000045109198 358400906 /nfs/dbraw/zinc/40/09/06/358400906.db2.gz LVFOVDFHDNIEMH-UHFFFAOYSA-N 2 2 224.308 0.517 20 0 BCADLP CC[C@@H](C)[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000042556394 358526740 /nfs/dbraw/zinc/52/67/40/358526740.db2.gz HRMHGYSZZWIPIK-NEPJUHHUSA-N 2 2 241.379 0.785 20 0 BCADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC000129714742 358595030 /nfs/dbraw/zinc/59/50/30/358595030.db2.gz VCTAAIUDTLBYMA-SNVBAGLBSA-N 2 2 223.324 0.247 20 0 BCADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC000129714742 358595032 /nfs/dbraw/zinc/59/50/32/358595032.db2.gz VCTAAIUDTLBYMA-SNVBAGLBSA-N 2 2 223.324 0.247 20 0 BCADLP CCCCNC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000049281075 358679865 /nfs/dbraw/zinc/67/98/65/358679865.db2.gz WHRJMQPNWOQSFT-UHFFFAOYSA-N 2 2 227.352 0.587 20 0 BCADLP CCCCNC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000049281075 358679866 /nfs/dbraw/zinc/67/98/66/358679866.db2.gz WHRJMQPNWOQSFT-UHFFFAOYSA-N 2 2 227.352 0.587 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131869908 358698597 /nfs/dbraw/zinc/69/85/97/358698597.db2.gz CVVUBAHJZWBJBR-LBPRGKRZSA-N 2 2 249.314 0.623 20 0 BCADLP CN(C)C(=O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131869908 358698601 /nfs/dbraw/zinc/69/86/01/358698601.db2.gz CVVUBAHJZWBJBR-LBPRGKRZSA-N 2 2 249.314 0.623 20 0 BCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)NC1CC1 ZINC000133294367 358749893 /nfs/dbraw/zinc/74/98/93/358749893.db2.gz CNNWZZJCUZZSJM-NSHDSACASA-N 2 2 227.352 0.570 20 0 BCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)NC1CC1 ZINC000133294367 358749894 /nfs/dbraw/zinc/74/98/94/358749894.db2.gz CNNWZZJCUZZSJM-NSHDSACASA-N 2 2 227.352 0.570 20 0 BCADLP CCCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000133457978 358755346 /nfs/dbraw/zinc/75/53/46/358755346.db2.gz PEAHOGRAINOYPJ-UHFFFAOYSA-N 2 2 227.352 0.492 20 0 BCADLP CCCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000133457978 358755350 /nfs/dbraw/zinc/75/53/50/358755350.db2.gz PEAHOGRAINOYPJ-UHFFFAOYSA-N 2 2 227.352 0.492 20 0 BCADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)NC)CC1 ZINC000177050538 134294300 /nfs/dbraw/zinc/29/43/00/134294300.db2.gz RYVPMDLRIXOGBQ-UHFFFAOYSA-N 2 2 227.352 0.539 20 0 BCADLP C[C@H]1CCC[N@@H+]1C1CC[NH+](CCO)CC1 ZINC000134685393 358801233 /nfs/dbraw/zinc/80/12/33/358801233.db2.gz SWUKFECNIVPBCL-NSHDSACASA-N 2 2 212.337 0.927 20 0 BCADLP C[C@H]1CCC[N@H+]1C1CC[NH+](CCO)CC1 ZINC000134685393 358801236 /nfs/dbraw/zinc/80/12/36/358801236.db2.gz SWUKFECNIVPBCL-NSHDSACASA-N 2 2 212.337 0.927 20 0 BCADLP CNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136087930 358862193 /nfs/dbraw/zinc/86/21/93/358862193.db2.gz WHZKAESKBMCJBS-QWRGUYRKSA-N 2 2 236.319 0.512 20 0 BCADLP CNC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136087930 358862194 /nfs/dbraw/zinc/86/21/94/358862194.db2.gz WHZKAESKBMCJBS-QWRGUYRKSA-N 2 2 236.319 0.512 20 0 BCADLP CCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224229794 358966107 /nfs/dbraw/zinc/96/61/07/358966107.db2.gz QIIFXJWLDHAGJC-BDAKNGLRSA-N 2 2 200.282 0.219 20 0 BCADLP CCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224229794 358966111 /nfs/dbraw/zinc/96/61/11/358966111.db2.gz QIIFXJWLDHAGJC-BDAKNGLRSA-N 2 2 200.282 0.219 20 0 BCADLP [NH3+][C@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000086403534 358967482 /nfs/dbraw/zinc/96/74/82/358967482.db2.gz KNBMMQXWCDCQTK-WDEREUQCSA-N 3 2 208.309 0.743 20 0 BCADLP [NH3+][C@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000086403536 358967556 /nfs/dbraw/zinc/96/75/56/358967556.db2.gz KNBMMQXWCDCQTK-QWRGUYRKSA-N 3 2 208.309 0.743 20 0 BCADLP CC(C)OC[C@@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000070195138 359044593 /nfs/dbraw/zinc/04/45/93/359044593.db2.gz RHJZDYBBEIBHEA-ZDUSSCGKSA-N 2 2 244.379 0.798 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000177839489 134303221 /nfs/dbraw/zinc/30/32/21/134303221.db2.gz HVCRRDGNRFRHSK-NSHDSACASA-N 2 2 227.352 0.396 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000177839489 134303222 /nfs/dbraw/zinc/30/32/22/134303222.db2.gz HVCRRDGNRFRHSK-NSHDSACASA-N 2 2 227.352 0.396 20 0 BCADLP CCNC(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000177839489 134303223 /nfs/dbraw/zinc/30/32/23/134303223.db2.gz HVCRRDGNRFRHSK-NSHDSACASA-N 2 2 227.352 0.396 20 0 BCADLP CCNC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000177839489 134303224 /nfs/dbraw/zinc/30/32/24/134303224.db2.gz HVCRRDGNRFRHSK-NSHDSACASA-N 2 2 227.352 0.396 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000177838506 134303422 /nfs/dbraw/zinc/30/34/22/134303422.db2.gz UPCMJINMZYJHII-RYUDHWBXSA-N 2 2 241.379 0.737 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000177838506 134303423 /nfs/dbraw/zinc/30/34/23/134303423.db2.gz UPCMJINMZYJHII-RYUDHWBXSA-N 2 2 241.379 0.737 20 0 BCADLP CNC(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072982111 359094212 /nfs/dbraw/zinc/09/42/12/359094212.db2.gz SFERRZTWWDNPCL-NSHDSACASA-N 2 2 227.352 0.539 20 0 BCADLP CNC(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072982111 359094214 /nfs/dbraw/zinc/09/42/14/359094214.db2.gz SFERRZTWWDNPCL-NSHDSACASA-N 2 2 227.352 0.539 20 0 BCADLP CNC(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072982111 359094216 /nfs/dbraw/zinc/09/42/16/359094216.db2.gz SFERRZTWWDNPCL-NSHDSACASA-N 2 2 227.352 0.539 20 0 BCADLP CNC(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000072982111 359094218 /nfs/dbraw/zinc/09/42/18/359094218.db2.gz SFERRZTWWDNPCL-NSHDSACASA-N 2 2 227.352 0.539 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246973218 359178783 /nfs/dbraw/zinc/17/87/83/359178783.db2.gz GUXVJMUNMDZMRU-VXGBXAGGSA-N 2 2 239.363 0.811 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246973218 359178784 /nfs/dbraw/zinc/17/87/84/359178784.db2.gz GUXVJMUNMDZMRU-VXGBXAGGSA-N 2 2 239.363 0.811 20 0 BCADLP CNC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835674 359226045 /nfs/dbraw/zinc/22/60/45/359226045.db2.gz SDQHBPLIOJAITM-LBPRGKRZSA-N 2 2 239.363 0.540 20 0 BCADLP CNC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835674 359226049 /nfs/dbraw/zinc/22/60/49/359226049.db2.gz SDQHBPLIOJAITM-LBPRGKRZSA-N 2 2 239.363 0.540 20 0 BCADLP C[C@H](C(N)=O)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860328 359230578 /nfs/dbraw/zinc/23/05/78/359230578.db2.gz OOFTWFZKHBHXLZ-MNOVXSKESA-N 2 2 227.352 0.666 20 0 BCADLP C[C@H](C(N)=O)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860328 359230581 /nfs/dbraw/zinc/23/05/81/359230581.db2.gz OOFTWFZKHBHXLZ-MNOVXSKESA-N 2 2 227.352 0.666 20 0 BCADLP C[C@H](C(N)=O)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860328 359230582 /nfs/dbraw/zinc/23/05/82/359230582.db2.gz OOFTWFZKHBHXLZ-MNOVXSKESA-N 2 2 227.352 0.666 20 0 BCADLP C[C@H](C(N)=O)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860328 359230585 /nfs/dbraw/zinc/23/05/85/359230585.db2.gz OOFTWFZKHBHXLZ-MNOVXSKESA-N 2 2 227.352 0.666 20 0 BCADLP C[C@H](C(N)=O)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247534489 359231615 /nfs/dbraw/zinc/23/16/15/359231615.db2.gz OOFTWFZKHBHXLZ-GHMZBOCLSA-N 2 2 227.352 0.666 20 0 BCADLP C[C@H](C(N)=O)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247534489 359231619 /nfs/dbraw/zinc/23/16/19/359231619.db2.gz OOFTWFZKHBHXLZ-GHMZBOCLSA-N 2 2 227.352 0.666 20 0 BCADLP C[C@H](C(N)=O)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247534489 359231623 /nfs/dbraw/zinc/23/16/23/359231623.db2.gz OOFTWFZKHBHXLZ-GHMZBOCLSA-N 2 2 227.352 0.666 20 0 BCADLP C[C@H](C(N)=O)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247534489 359231626 /nfs/dbraw/zinc/23/16/26/359231626.db2.gz OOFTWFZKHBHXLZ-GHMZBOCLSA-N 2 2 227.352 0.666 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247181632 359199266 /nfs/dbraw/zinc/19/92/66/359199266.db2.gz ZADSUASUHUWQQT-NEPJUHHUSA-N 2 2 241.379 0.737 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247181632 359199270 /nfs/dbraw/zinc/19/92/70/359199270.db2.gz ZADSUASUHUWQQT-NEPJUHHUSA-N 2 2 241.379 0.737 20 0 BCADLP C[C@H](C(=O)N(C)C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247181632 359199274 /nfs/dbraw/zinc/19/92/74/359199274.db2.gz ZADSUASUHUWQQT-NEPJUHHUSA-N 2 2 241.379 0.737 20 0 BCADLP C[C@H](C(=O)N(C)C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247181632 359199278 /nfs/dbraw/zinc/19/92/78/359199278.db2.gz ZADSUASUHUWQQT-NEPJUHHUSA-N 2 2 241.379 0.737 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076003798 359263951 /nfs/dbraw/zinc/26/39/51/359263951.db2.gz ZAIGCXGOFDWLRO-NEPJUHHUSA-N 2 2 241.379 0.914 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076003798 359263954 /nfs/dbraw/zinc/26/39/54/359263954.db2.gz ZAIGCXGOFDWLRO-NEPJUHHUSA-N 2 2 241.379 0.914 20 0 BCADLP COC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404333164 359578107 /nfs/dbraw/zinc/57/81/07/359578107.db2.gz ZWFLPRLQCZHXPP-NXEZZACHSA-N 2 2 214.309 0.609 20 0 BCADLP COC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404333164 359578109 /nfs/dbraw/zinc/57/81/09/359578109.db2.gz ZWFLPRLQCZHXPP-NXEZZACHSA-N 2 2 214.309 0.609 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+]CC[C@@H]2CCOC2)C1 ZINC000628498706 359711645 /nfs/dbraw/zinc/71/16/45/359711645.db2.gz UNRQDIKNADMFGH-NEPJUHHUSA-N 2 2 228.336 0.069 20 0 BCADLP O[C@H]1CC[N@@H+](CC[NH2+]CC[C@@H]2CCOC2)C1 ZINC000628498706 359711651 /nfs/dbraw/zinc/71/16/51/359711651.db2.gz UNRQDIKNADMFGH-NEPJUHHUSA-N 2 2 228.336 0.069 20 0 BCADLP CC(C)[C@H]([NH3+])CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000578517702 366586393 /nfs/dbraw/zinc/58/63/93/366586393.db2.gz RBQMSDRXCSBNMU-GHMZBOCLSA-N 2 2 238.335 0.934 20 0 BCADLP O[C@H]1COCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000451237498 202385099 /nfs/dbraw/zinc/38/50/99/202385099.db2.gz WGSHFMUZBJFIRN-CYBMUJFWSA-N 2 2 242.363 0.556 20 0 BCADLP O[C@H]1COCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000451237498 202385101 /nfs/dbraw/zinc/38/51/01/202385101.db2.gz WGSHFMUZBJFIRN-CYBMUJFWSA-N 2 2 242.363 0.556 20 0 BCADLP C[C@H]1CN(c2nc[nH+]c(N)c2Cl)CC[C@@H]1[NH3+] ZINC000578610670 366607872 /nfs/dbraw/zinc/60/78/72/366607872.db2.gz RMCFKVMLTZQQPI-BQBZGAKWSA-N 2 2 241.726 0.886 20 0 BCADLP C[C@H]1CN(c2[nH+]cnc(N)c2Cl)CC[C@@H]1[NH3+] ZINC000578610670 366607880 /nfs/dbraw/zinc/60/78/80/366607880.db2.gz RMCFKVMLTZQQPI-BQBZGAKWSA-N 2 2 241.726 0.886 20 0 BCADLP CC(C)[C@@H](NC(=O)[C@H](C)[NH3+])c1[nH]cc[nH+]1 ZINC000578887813 366668972 /nfs/dbraw/zinc/66/89/72/366668972.db2.gz LISHYSVHRLQPMH-JGVFFNPUSA-N 2 2 210.281 0.570 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cncn2C)CC[N@@H+]1C ZINC000090721647 360084811 /nfs/dbraw/zinc/08/48/11/360084811.db2.gz BQRIBUVQQSBQDT-MNOVXSKESA-N 2 2 222.336 0.992 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cncn2C)CC[N@H+]1C ZINC000090721647 360084817 /nfs/dbraw/zinc/08/48/17/360084817.db2.gz BQRIBUVQQSBQDT-MNOVXSKESA-N 2 2 222.336 0.992 20 0 BCADLP C[C@H]1C[C@H]([NH2+]Cc2cncn2C)CC[N@@H+]1C ZINC000090721646 360085286 /nfs/dbraw/zinc/08/52/86/360085286.db2.gz BQRIBUVQQSBQDT-WDEREUQCSA-N 2 2 222.336 0.992 20 0 BCADLP C[C@H]1C[C@H]([NH2+]Cc2cncn2C)CC[N@H+]1C ZINC000090721646 360085288 /nfs/dbraw/zinc/08/52/88/360085288.db2.gz BQRIBUVQQSBQDT-WDEREUQCSA-N 2 2 222.336 0.992 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]Cc2cncn2C)CC[N@@H+]1C ZINC000090721650 360085468 /nfs/dbraw/zinc/08/54/68/360085468.db2.gz BQRIBUVQQSBQDT-QWRGUYRKSA-N 2 2 222.336 0.992 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]Cc2cncn2C)CC[N@H+]1C ZINC000090721650 360085470 /nfs/dbraw/zinc/08/54/70/360085470.db2.gz BQRIBUVQQSBQDT-QWRGUYRKSA-N 2 2 222.336 0.992 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nn2)CC[N@@H+]1C ZINC000090720564 360085619 /nfs/dbraw/zinc/08/56/19/360085619.db2.gz QFOGDAAFCIDBDB-NXEZZACHSA-N 2 2 223.324 0.387 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nn2)CC[N@H+]1C ZINC000090720564 360085622 /nfs/dbraw/zinc/08/56/22/360085622.db2.gz QFOGDAAFCIDBDB-NXEZZACHSA-N 2 2 223.324 0.387 20 0 BCADLP c1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c[nH]1 ZINC000091662842 360121880 /nfs/dbraw/zinc/12/18/80/360121880.db2.gz HDJOTXQLWOFFGM-OLZOCXBDSA-N 2 2 235.331 0.968 20 0 BCADLP c1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c[nH]1 ZINC000091662842 360121887 /nfs/dbraw/zinc/12/18/87/360121887.db2.gz HDJOTXQLWOFFGM-OLZOCXBDSA-N 2 2 235.331 0.968 20 0 BCADLP CC[N@@H+]1CCN(C(=O)C2([NH+](C)C)CC2)C[C@@H]1C ZINC000612954894 360213605 /nfs/dbraw/zinc/21/36/05/360213605.db2.gz WIUCAFABHPOEIR-NSHDSACASA-N 2 2 239.363 0.633 20 0 BCADLP CC[N@H+]1CCN(C(=O)C2([NH+](C)C)CC2)C[C@@H]1C ZINC000612954894 360213607 /nfs/dbraw/zinc/21/36/07/360213607.db2.gz WIUCAFABHPOEIR-NSHDSACASA-N 2 2 239.363 0.633 20 0 BCADLP C[NH+]1CC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC000614035161 363712537 /nfs/dbraw/zinc/71/25/37/363712537.db2.gz STFHLKSVVFQLSX-UHFFFAOYSA-N 2 2 248.330 0.506 20 0 BCADLP C[NH+]1CC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC000614035161 363712543 /nfs/dbraw/zinc/71/25/43/363712543.db2.gz STFHLKSVVFQLSX-UHFFFAOYSA-N 2 2 248.330 0.506 20 0 BCADLP C[NH+]1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1)C2 ZINC000614034772 363710765 /nfs/dbraw/zinc/71/07/65/363710765.db2.gz HPJJEJAVMOJKOR-UHFFFAOYSA-N 2 2 234.303 0.047 20 0 BCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC([NH+](C)C)C1 ZINC000613117331 360372998 /nfs/dbraw/zinc/37/29/98/360372998.db2.gz FWWLLXSMZBKUKE-GHMZBOCLSA-N 2 2 248.330 0.296 20 0 BCADLP CC(C)OC(=O)[C@@H]1CCC[N@@H+]1CCC[NH3+] ZINC000578965870 366681254 /nfs/dbraw/zinc/68/12/54/366681254.db2.gz HJDSCKJIZFHNQL-JTQLQIEISA-N 2 2 214.309 0.751 20 0 BCADLP CC(C)OC(=O)[C@@H]1CCC[N@H+]1CCC[NH3+] ZINC000578965870 366681257 /nfs/dbraw/zinc/68/12/57/366681257.db2.gz HJDSCKJIZFHNQL-JTQLQIEISA-N 2 2 214.309 0.751 20 0 BCADLP C[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)[C@@H](C)C[N@@H+]1C ZINC000613190165 360500736 /nfs/dbraw/zinc/50/07/36/360500736.db2.gz DHBMIHBGSSSWJZ-MNOVXSKESA-N 2 2 239.363 0.632 20 0 BCADLP C[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)[C@@H](C)C[N@H+]1C ZINC000613190165 360500740 /nfs/dbraw/zinc/50/07/40/360500740.db2.gz DHBMIHBGSSSWJZ-MNOVXSKESA-N 2 2 239.363 0.632 20 0 BCADLP CCN(CC[NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000626917778 360506957 /nfs/dbraw/zinc/50/69/57/360506957.db2.gz NKUNGTMYDUMNJX-UHFFFAOYSA-N 2 2 239.323 0.263 20 0 BCADLP COCC[NH2+]CC[NH2+]C[C@@H](C)COC ZINC000578976561 366682672 /nfs/dbraw/zinc/68/26/72/366682672.db2.gz UCQMTAJHMBHJGU-SNVBAGLBSA-N 2 2 204.314 0.095 20 0 BCADLP NC(=O)c1cccc(C[NH2+]CC[NH+]2CCCC2)c1 ZINC000054127049 181303829 /nfs/dbraw/zinc/30/38/29/181303829.db2.gz MCZGAZIMDUPREF-UHFFFAOYSA-N 2 2 247.342 0.971 20 0 BCADLP OC[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000631197475 360710974 /nfs/dbraw/zinc/71/09/74/360710974.db2.gz BQUGYVIMTMVWSO-AOOOYVTPSA-N 2 2 221.304 0.690 20 0 BCADLP O[C@@H]1COC[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000631201811 360877058 /nfs/dbraw/zinc/87/70/58/360877058.db2.gz WWMAODHJMQYCQY-WDEREUQCSA-N 2 2 233.271 0.184 20 0 BCADLP Cn1ncc(Cl)c1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414882736 200774751 /nfs/dbraw/zinc/77/47/51/200774751.db2.gz CGTLJPHQSMYSEN-VIFPVBQESA-N 2 2 228.727 0.900 20 0 BCADLP CCn1cc(C[NH2+]CC2([NH3+])CCOCC2)cn1 ZINC000629389110 361035647 /nfs/dbraw/zinc/03/56/47/361035647.db2.gz UDZXDVKKCYDDHL-UHFFFAOYSA-N 2 2 238.335 0.501 20 0 BCADLP C[C@H]1CC[C@H]([NH2+]Cc2cnc(N(C)C)nc2)C[NH2+]1 ZINC000629395439 361043389 /nfs/dbraw/zinc/04/33/89/361043389.db2.gz CWQCSNJDGKVETQ-JQWIXIFHSA-N 2 2 249.362 0.773 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629399842 361050821 /nfs/dbraw/zinc/05/08/21/361050821.db2.gz CNXYSJFTBMWVBZ-WCQYABFASA-N 3 2 241.379 0.424 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629399842 361050826 /nfs/dbraw/zinc/05/08/26/361050826.db2.gz CNXYSJFTBMWVBZ-WCQYABFASA-N 3 2 241.379 0.424 20 0 BCADLP C[NH2+]CCOCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000629406840 361053376 /nfs/dbraw/zinc/05/33/76/361053376.db2.gz ZFMRXPWNYBLKAS-VXGBXAGGSA-N 3 2 241.379 0.437 20 0 BCADLP C[NH2+]CCOCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000629406840 361053379 /nfs/dbraw/zinc/05/33/79/361053379.db2.gz ZFMRXPWNYBLKAS-VXGBXAGGSA-N 3 2 241.379 0.437 20 0 BCADLP C[NH2+]CCOCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000629406836 361053859 /nfs/dbraw/zinc/05/38/59/361053859.db2.gz ZFMRXPWNYBLKAS-NEPJUHHUSA-N 3 2 241.379 0.437 20 0 BCADLP C[NH2+]CCOCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000629406836 361053864 /nfs/dbraw/zinc/05/38/64/361053864.db2.gz ZFMRXPWNYBLKAS-NEPJUHHUSA-N 3 2 241.379 0.437 20 0 BCADLP CCn1nnc(C)c1C[N@H+](C)C1CC[NH2+]CC1 ZINC000629510112 361101937 /nfs/dbraw/zinc/10/19/37/361101937.db2.gz RAJZKNWIMSATCL-UHFFFAOYSA-N 2 2 237.351 0.790 20 0 BCADLP CCn1nnc(C)c1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000629510112 361101939 /nfs/dbraw/zinc/10/19/39/361101939.db2.gz RAJZKNWIMSATCL-UHFFFAOYSA-N 2 2 237.351 0.790 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC000629509530 361103560 /nfs/dbraw/zinc/10/35/60/361103560.db2.gz BIIIXGXZUVEMTE-LLVKDONJSA-N 2 2 241.379 0.690 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC000629509530 361103562 /nfs/dbraw/zinc/10/35/62/361103562.db2.gz BIIIXGXZUVEMTE-LLVKDONJSA-N 2 2 241.379 0.690 20 0 BCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000629510259 361107778 /nfs/dbraw/zinc/10/77/78/361107778.db2.gz OWYKQFMGJBSLTF-ONGXEEELSA-N 2 2 237.351 0.776 20 0 BCADLP CCn1nnc(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000629510259 361107782 /nfs/dbraw/zinc/10/77/82/361107782.db2.gz OWYKQFMGJBSLTF-ONGXEEELSA-N 2 2 237.351 0.776 20 0 BCADLP CC(C)(C)CNC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000629514787 361112262 /nfs/dbraw/zinc/11/22/62/361112262.db2.gz OVPDRDHHHAAUPW-CYBMUJFWSA-N 2 2 241.379 0.866 20 0 BCADLP COc1cncc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)n1 ZINC000629530817 361145898 /nfs/dbraw/zinc/14/58/98/361145898.db2.gz RZBZXEXCLNXQSI-GFCCVEGCSA-N 2 2 236.319 0.656 20 0 BCADLP COc1cncc(C[N@H+]2CC[C@](C)(C[NH3+])C2)n1 ZINC000629530817 361145899 /nfs/dbraw/zinc/14/58/99/361145899.db2.gz RZBZXEXCLNXQSI-GFCCVEGCSA-N 2 2 236.319 0.656 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000629525866 361126877 /nfs/dbraw/zinc/12/68/77/361126877.db2.gz DYAKOQYSOYDVAG-OUAUKWLOSA-N 2 2 246.376 0.294 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)CCOCC(F)(F)F ZINC000158508028 361199761 /nfs/dbraw/zinc/19/97/61/361199761.db2.gz JHTPIWWNBCZFQK-ZETCQYMHSA-N 2 2 214.231 0.844 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)CCOCC(F)(F)F ZINC000158508028 361199768 /nfs/dbraw/zinc/19/97/68/361199768.db2.gz JHTPIWWNBCZFQK-ZETCQYMHSA-N 2 2 214.231 0.844 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640485587 361278503 /nfs/dbraw/zinc/27/85/03/361278503.db2.gz ILZUANKZOMXOOG-ONGXEEELSA-N 2 2 207.277 0.029 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640485587 361278508 /nfs/dbraw/zinc/27/85/08/361278508.db2.gz ILZUANKZOMXOOG-ONGXEEELSA-N 2 2 207.277 0.029 20 0 BCADLP [NH3+]C1(C[NH2+]CC(=O)N2CCCCC2)CCC1 ZINC000342128383 181331056 /nfs/dbraw/zinc/33/10/56/181331056.db2.gz KXADMQCEXDZVCI-UHFFFAOYSA-N 2 2 225.336 0.470 20 0 BCADLP C[C@H]([NH2+]CCOCCC[NH3+])[C@H]1CCCC[NH2+]1 ZINC000629536265 361398510 /nfs/dbraw/zinc/39/85/10/361398510.db2.gz FTYLBYBJFSKZPF-NWDGAFQWSA-N 3 2 229.368 0.472 20 0 BCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCc2nn[nH]c2C1 ZINC000429293608 201096758 /nfs/dbraw/zinc/09/67/58/201096758.db2.gz KLSQORVGMYAOQG-JTQLQIEISA-N 2 2 235.335 0.647 20 0 BCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCc2nn[nH]c2C1 ZINC000429293608 201096761 /nfs/dbraw/zinc/09/67/61/201096761.db2.gz KLSQORVGMYAOQG-JTQLQIEISA-N 2 2 235.335 0.647 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCc2nn[nH]c2C1 ZINC000429293608 201096762 /nfs/dbraw/zinc/09/67/62/201096762.db2.gz KLSQORVGMYAOQG-JTQLQIEISA-N 2 2 235.335 0.647 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCc2nn[nH]c2C1 ZINC000429293608 201096765 /nfs/dbraw/zinc/09/67/65/201096765.db2.gz KLSQORVGMYAOQG-JTQLQIEISA-N 2 2 235.335 0.647 20 0 BCADLP Cn1c[nH+]cc1CCCN1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000579255822 366750188 /nfs/dbraw/zinc/75/01/88/366750188.db2.gz RADRPDKCRSGGSJ-OCCSQVGLSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1c[nH+]cc1CCCN1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000579255822 366750193 /nfs/dbraw/zinc/75/01/93/366750193.db2.gz RADRPDKCRSGGSJ-OCCSQVGLSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@H]2CCN(C)[C@H]2C1 ZINC000579255822 366750196 /nfs/dbraw/zinc/75/01/96/366750196.db2.gz RADRPDKCRSGGSJ-OCCSQVGLSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@H]2CCN(C)[C@H]2C1 ZINC000579255822 366750201 /nfs/dbraw/zinc/75/02/01/366750201.db2.gz RADRPDKCRSGGSJ-OCCSQVGLSA-N 2 2 248.374 0.989 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000629544084 361421780 /nfs/dbraw/zinc/42/17/80/361421780.db2.gz GMWRZGBMDFXIEH-KOLCDFICSA-N 2 2 221.304 0.875 20 0 BCADLP C[N@H+](CCOC1CCOCC1)CC(C)(C)[NH3+] ZINC000629545287 361425461 /nfs/dbraw/zinc/42/54/61/361425461.db2.gz LGRKCICEOGCJMI-UHFFFAOYSA-N 2 2 230.352 0.851 20 0 BCADLP C[N@@H+](CCOC1CCOCC1)CC(C)(C)[NH3+] ZINC000629545287 361425467 /nfs/dbraw/zinc/42/54/67/361425467.db2.gz LGRKCICEOGCJMI-UHFFFAOYSA-N 2 2 230.352 0.851 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cnn(C)c1 ZINC000629548895 361434547 /nfs/dbraw/zinc/43/45/47/361434547.db2.gz RUWLQPBLZODAFL-ATZCPNFKSA-N 2 2 208.309 0.821 20 0 BCADLP CO[C@H]1C[C@@H](C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000629554699 361436520 /nfs/dbraw/zinc/43/65/20/361436520.db2.gz NZOWVVJLISPXJV-LPWJVIDDSA-N 2 2 242.363 0.768 20 0 BCADLP CO[C@H]1C[C@@H](C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000629554700 361436660 /nfs/dbraw/zinc/43/66/60/361436660.db2.gz NZOWVVJLISPXJV-NDBYEHHHSA-N 2 2 242.363 0.768 20 0 BCADLP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000629553291 361437104 /nfs/dbraw/zinc/43/71/04/361437104.db2.gz FYFPNNHJFRWDLF-OUAUKWLOSA-N 2 2 246.376 0.294 20 0 BCADLP COc1cncc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)n1 ZINC000629549584 361441334 /nfs/dbraw/zinc/44/13/34/361441334.db2.gz SKPZHCYGQMKAFY-UWVGGRQHSA-N 2 2 236.319 0.797 20 0 BCADLP COc1cncc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)n1 ZINC000629549584 361441336 /nfs/dbraw/zinc/44/13/36/361441336.db2.gz SKPZHCYGQMKAFY-UWVGGRQHSA-N 2 2 236.319 0.797 20 0 BCADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C[NH2+]1 ZINC000629542015 361417883 /nfs/dbraw/zinc/41/78/83/361417883.db2.gz WRZRIRZSOWQVPQ-WYUUTHIRSA-N 3 2 211.353 0.986 20 0 BCADLP C[NH2+]CCOCC[N@H+](C)Cc1snnc1C ZINC000629570763 361460314 /nfs/dbraw/zinc/46/03/14/361460314.db2.gz COIRQLFKJHLUTL-UHFFFAOYSA-N 2 2 244.364 0.514 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)Cc1snnc1C ZINC000629570763 361460318 /nfs/dbraw/zinc/46/03/18/361460318.db2.gz COIRQLFKJHLUTL-UHFFFAOYSA-N 2 2 244.364 0.514 20 0 BCADLP CCc1cnc(C[N@H+](C)CCOCC[NH3+])o1 ZINC000629578892 361464456 /nfs/dbraw/zinc/46/44/56/361464456.db2.gz XOIRJTIIXYBTMR-UHFFFAOYSA-N 2 2 227.308 0.644 20 0 BCADLP CCc1cnc(C[N@@H+](C)CCOCC[NH3+])o1 ZINC000629578892 361464462 /nfs/dbraw/zinc/46/44/62/361464462.db2.gz XOIRJTIIXYBTMR-UHFFFAOYSA-N 2 2 227.308 0.644 20 0 BCADLP CCc1nnc([C@@H](C)[N@H+](C)CCOCC[NH3+])[nH]1 ZINC000629580717 361469351 /nfs/dbraw/zinc/46/93/51/361469351.db2.gz FLMYDGCLZNSUOK-SECBINFHSA-N 2 2 241.339 0.335 20 0 BCADLP CCc1nnc([C@@H](C)[N@@H+](C)CCOCC[NH3+])[nH]1 ZINC000629580717 361469354 /nfs/dbraw/zinc/46/93/54/361469354.db2.gz FLMYDGCLZNSUOK-SECBINFHSA-N 2 2 241.339 0.335 20 0 BCADLP COC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000629601829 361492658 /nfs/dbraw/zinc/49/26/58/361492658.db2.gz MOOWSXAWMXFPCV-QWHCGFSZSA-N 2 2 242.363 0.600 20 0 BCADLP COC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000629601829 361492663 /nfs/dbraw/zinc/49/26/63/361492663.db2.gz MOOWSXAWMXFPCV-QWHCGFSZSA-N 2 2 242.363 0.600 20 0 BCADLP COC1(C[NH2+]C[C@H]2C[NH2+]CCO2)CCCC1 ZINC000629648367 361541200 /nfs/dbraw/zinc/54/12/00/361541200.db2.gz LKWRCXPBHRTBKK-LLVKDONJSA-N 2 2 228.336 0.524 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[NH2+]CC1([NH3+])CCOCC1 ZINC000629653965 361554773 /nfs/dbraw/zinc/55/47/73/361554773.db2.gz KMHLTQFAILNCOK-LLVKDONJSA-N 3 2 229.368 0.457 20 0 BCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@@]13C[C@@H]1C[NH2+]C3)C2 ZINC000629661100 361594785 /nfs/dbraw/zinc/59/47/85/361594785.db2.gz ASDKNIMEIQFFNQ-MQYQWHSLSA-N 3 2 235.375 0.527 20 0 BCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@]13C[C@@H]1C[NH2+]C3)C2 ZINC000629661100 361594788 /nfs/dbraw/zinc/59/47/88/361594788.db2.gz ASDKNIMEIQFFNQ-MQYQWHSLSA-N 3 2 235.375 0.527 20 0 BCADLP CC(C)(C)[NH2+]CC[NH2+]CCOCCC[NH3+] ZINC000629678790 361600808 /nfs/dbraw/zinc/60/08/08/361600808.db2.gz KIBCTTBWBIFUPH-UHFFFAOYSA-N 3 2 217.357 0.330 20 0 BCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@@]1(C)CC[NH2+]C1)C2 ZINC000629670273 361589860 /nfs/dbraw/zinc/58/98/60/361589860.db2.gz ZUUXUFZWKRVONX-MELADBBJSA-N 3 2 237.391 0.917 20 0 BCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C2 ZINC000629670273 361589866 /nfs/dbraw/zinc/58/98/66/361589866.db2.gz ZUUXUFZWKRVONX-MELADBBJSA-N 3 2 237.391 0.917 20 0 BCADLP CC[N@H+](Cc1cn(C)nn1)[C@@H]1CCC[NH2+]CC1 ZINC000435384760 201268763 /nfs/dbraw/zinc/26/87/63/201268763.db2.gz OGFGGIQQJOJRAB-GFCCVEGCSA-N 2 2 237.351 0.779 20 0 BCADLP CC[N@@H+](Cc1cn(C)nn1)[C@@H]1CCC[NH2+]CC1 ZINC000435384760 201268765 /nfs/dbraw/zinc/26/87/65/201268765.db2.gz OGFGGIQQJOJRAB-GFCCVEGCSA-N 2 2 237.351 0.779 20 0 BCADLP C[NH2+]CCCN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000435881480 201292089 /nfs/dbraw/zinc/29/20/89/201292089.db2.gz BHCVGUAQYXUWQE-ZDUSSCGKSA-N 2 2 241.379 0.393 20 0 BCADLP [NH3+]C1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000049310442 181343951 /nfs/dbraw/zinc/34/39/51/181343951.db2.gz KNMOBSKNHLKYQR-UHFFFAOYSA-N 2 2 226.242 0.988 20 0 BCADLP COCC[N@@H+]1CC[C@@H](N[C@@H](C)C[NH+](C)C)C1 ZINC000328269761 363870738 /nfs/dbraw/zinc/87/07/38/363870738.db2.gz PDQONFFRGGCOKF-NWDGAFQWSA-N 2 2 229.368 0.247 20 0 BCADLP COCC[N@H+]1CC[C@@H](N[C@@H](C)C[NH+](C)C)C1 ZINC000328269761 363870741 /nfs/dbraw/zinc/87/07/41/363870741.db2.gz PDQONFFRGGCOKF-NWDGAFQWSA-N 2 2 229.368 0.247 20 0 BCADLP Nc1[nH+]cnc(N[C@@H]2CC[NH2+]C2)c1Cl ZINC000630547234 364240210 /nfs/dbraw/zinc/24/02/10/364240210.db2.gz BWAPVGHURASVDX-RXMQYKEDSA-N 2 2 213.672 0.486 20 0 BCADLP c1nc(N2C[C@@H]3C[C@H]2C[NH2+]3)cc(N2CCCC2)[nH+]1 ZINC000630553209 364247965 /nfs/dbraw/zinc/24/79/65/364247965.db2.gz IQMFMIAIQZRXEH-QWRGUYRKSA-N 2 2 245.330 0.627 20 0 BCADLP CCc1nc(N2C[C@@H]3C[C@H]2C[NH2+]3)cc(C)[nH+]1 ZINC000630554357 364250202 /nfs/dbraw/zinc/25/02/02/364250202.db2.gz VWGAIQBRJJKARO-UWVGGRQHSA-N 2 2 218.304 0.898 20 0 BCADLP Cc1nn(C)cc1C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000398968357 364376632 /nfs/dbraw/zinc/37/66/32/364376632.db2.gz SYVZAKINLBQSGX-SKDRFNHKSA-N 2 2 222.336 0.959 20 0 BCADLP Cc1nn(C)cc1C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000398968352 364376818 /nfs/dbraw/zinc/37/68/18/364376818.db2.gz SYVZAKINLBQSGX-CABZTGNLSA-N 2 2 222.336 0.959 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)[C@H](C)CO ZINC000134165283 364393093 /nfs/dbraw/zinc/39/30/93/364393093.db2.gz RVVAOVNJBCLRNK-GMTAPVOTSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)[C@H](C)CO ZINC000134165283 364393099 /nfs/dbraw/zinc/39/30/99/364393099.db2.gz RVVAOVNJBCLRNK-GMTAPVOTSA-N 2 2 212.337 0.830 20 0 BCADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](CC)C(N)=O)C1 ZINC000245442199 364536019 /nfs/dbraw/zinc/53/60/19/364536019.db2.gz WCFKDCLJQNNMDY-NWDGAFQWSA-N 2 2 241.379 0.914 20 0 BCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](CC)C(N)=O)C1 ZINC000245442199 364536024 /nfs/dbraw/zinc/53/60/24/364536024.db2.gz WCFKDCLJQNNMDY-NWDGAFQWSA-N 2 2 241.379 0.914 20 0 BCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](CC)C(N)=O)C1 ZINC000245442199 364536029 /nfs/dbraw/zinc/53/60/29/364536029.db2.gz WCFKDCLJQNNMDY-NWDGAFQWSA-N 2 2 241.379 0.914 20 0 BCADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](CC)C(N)=O)C1 ZINC000245442199 364536033 /nfs/dbraw/zinc/53/60/33/364536033.db2.gz WCFKDCLJQNNMDY-NWDGAFQWSA-N 2 2 241.379 0.914 20 0 BCADLP [NH3+]CCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000262682094 181367791 /nfs/dbraw/zinc/36/77/91/181367791.db2.gz YBYHPCXDSOBESG-UHFFFAOYSA-N 2 2 218.260 0.299 20 0 BCADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)C[NH2+]1 ZINC000399035022 364737052 /nfs/dbraw/zinc/73/70/52/364737052.db2.gz NOMZHQINSVSXAD-GMTAPVOTSA-N 2 2 246.376 0.294 20 0 BCADLP C[C@@H]1CC[C@@H](NCc2c[nH+]cn2C)C[NH2+]1 ZINC000399013899 364722471 /nfs/dbraw/zinc/72/24/71/364722471.db2.gz BLXMOTLNRKCOFR-NXEZZACHSA-N 2 2 208.309 0.650 20 0 BCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccoc1 ZINC000167431693 364792620 /nfs/dbraw/zinc/79/26/20/364792620.db2.gz JJTJDBOWZOOTKT-GXSJLCMTSA-N 2 2 212.293 0.853 20 0 BCADLP [NH3+]C1(c2noc(CCc3c[nH]c[nH+]3)n2)CCC1 ZINC000573444730 364835182 /nfs/dbraw/zinc/83/51/82/364835182.db2.gz PYMDYIGANODNNX-UHFFFAOYSA-N 2 2 233.275 0.916 20 0 BCADLP [NH3+]C1(c2noc(CCc3c[nH+]c[nH]3)n2)CCC1 ZINC000573444730 364835187 /nfs/dbraw/zinc/83/51/87/364835187.db2.gz PYMDYIGANODNNX-UHFFFAOYSA-N 2 2 233.275 0.916 20 0 BCADLP C[NH2+]CCCN(C)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000573487544 364845704 /nfs/dbraw/zinc/84/57/04/364845704.db2.gz HEXUPWXPWBXWAS-VIFPVBQESA-N 2 2 242.348 0.211 20 0 BCADLP [NH3+]CCCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000269233370 181372484 /nfs/dbraw/zinc/37/24/84/181372484.db2.gz KKGNUELKOIKCOA-UHFFFAOYSA-N 2 2 232.287 0.689 20 0 BCADLP COc1cc[nH+]cc1NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000573728217 364903036 /nfs/dbraw/zinc/90/30/36/364903036.db2.gz JPITXPWYIZSZDF-PELKAZGASA-N 2 2 233.271 0.781 20 0 BCADLP C[C@H](O)CC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000573860557 364933618 /nfs/dbraw/zinc/93/36/18/364933618.db2.gz XNRBFTVFQOTAQK-SDDRHHMPSA-N 2 2 212.337 0.926 20 0 BCADLP C[C@H](O)CC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000573860557 364933624 /nfs/dbraw/zinc/93/36/24/364933624.db2.gz XNRBFTVFQOTAQK-SDDRHHMPSA-N 2 2 212.337 0.926 20 0 BCADLP C[C@H](O)CC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000573860557 364933630 /nfs/dbraw/zinc/93/36/30/364933630.db2.gz XNRBFTVFQOTAQK-SDDRHHMPSA-N 2 2 212.337 0.926 20 0 BCADLP C[C@H](O)CC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000573860557 364933634 /nfs/dbraw/zinc/93/36/34/364933634.db2.gz XNRBFTVFQOTAQK-SDDRHHMPSA-N 2 2 212.337 0.926 20 0 BCADLP Cn1nccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334418078 541413718 /nfs/dbraw/zinc/41/37/18/541413718.db2.gz RLRKONLQJFQVKO-ZDUSSCGKSA-N 2 2 234.347 0.996 20 0 BCADLP Cn1nccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334418078 541413723 /nfs/dbraw/zinc/41/37/23/541413723.db2.gz RLRKONLQJFQVKO-ZDUSSCGKSA-N 2 2 234.347 0.996 20 0 BCADLP COC[C@H](O)C[NH2+]CCCNc1cccc[nH+]1 ZINC000574033307 364970248 /nfs/dbraw/zinc/97/02/48/364970248.db2.gz LKBCLFCXUKYXGK-LLVKDONJSA-N 2 2 239.319 0.481 20 0 BCADLP CC[C@H](O)C[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000574083376 364983589 /nfs/dbraw/zinc/98/35/89/364983589.db2.gz AZZRAUHBBUDMAO-NEPJUHHUSA-N 2 2 230.352 0.194 20 0 BCADLP CC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000574083376 364983593 /nfs/dbraw/zinc/98/35/93/364983593.db2.gz AZZRAUHBBUDMAO-NEPJUHHUSA-N 2 2 230.352 0.194 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000574173225 365004442 /nfs/dbraw/zinc/00/44/42/365004442.db2.gz DERJFRWHXVQUGU-SNVBAGLBSA-N 2 2 237.307 0.288 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000574173225 365004448 /nfs/dbraw/zinc/00/44/48/365004448.db2.gz DERJFRWHXVQUGU-SNVBAGLBSA-N 2 2 237.307 0.288 20 0 BCADLP Cn1cc(C[NH2+]CCC[NH+]2CCC2)nn1 ZINC000574338944 365041044 /nfs/dbraw/zinc/04/10/44/365041044.db2.gz HNFHRUJRFISUCO-UHFFFAOYSA-N 2 2 209.297 0.001 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCc2nn[nH]c2C1 ZINC000574288891 365031077 /nfs/dbraw/zinc/03/10/77/365031077.db2.gz XJIZUAMRDNCCIX-UHFFFAOYSA-N 2 2 246.318 0.529 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CCc2nn[nH]c2C1 ZINC000574288891 365031081 /nfs/dbraw/zinc/03/10/81/365031081.db2.gz XJIZUAMRDNCCIX-UHFFFAOYSA-N 2 2 246.318 0.529 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCc2n[nH]nc2C1 ZINC000574288891 365031088 /nfs/dbraw/zinc/03/10/88/365031088.db2.gz XJIZUAMRDNCCIX-UHFFFAOYSA-N 2 2 246.318 0.529 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CCc2n[nH]nc2C1 ZINC000574288891 365031093 /nfs/dbraw/zinc/03/10/93/365031093.db2.gz XJIZUAMRDNCCIX-UHFFFAOYSA-N 2 2 246.318 0.529 20 0 BCADLP C[NH2+][C@H](C)C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000574650501 365112960 /nfs/dbraw/zinc/11/29/60/365112960.db2.gz BEECTLUAAIYYNS-RKDXNWHRSA-N 2 2 224.308 0.831 20 0 BCADLP CCOC(=O)C1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000574876716 365156823 /nfs/dbraw/zinc/15/68/23/365156823.db2.gz DFWMMFFTXCNIST-SECBINFHSA-N 2 2 214.309 0.609 20 0 BCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1CC[NH2+]1 ZINC000444178462 193040409 /nfs/dbraw/zinc/04/04/09/193040409.db2.gz ARTYSRQGNSFQBF-LLVKDONJSA-N 2 2 248.330 0.240 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444266031 193043175 /nfs/dbraw/zinc/04/31/75/193043175.db2.gz COHCKPRWHAYGPB-CABZTGNLSA-N 2 2 234.303 0.334 20 0 BCADLP COCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000575736251 365346494 /nfs/dbraw/zinc/34/64/94/365346494.db2.gz PXNQAHJXAHRTOY-UHFFFAOYSA-N 2 2 210.281 0.178 20 0 BCADLP COCc1noc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000575749311 365352437 /nfs/dbraw/zinc/35/24/37/365352437.db2.gz PFLZNXFSWPETKE-RKDXNWHRSA-N 2 2 240.307 0.385 20 0 BCADLP COCc1noc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000575749311 365352444 /nfs/dbraw/zinc/35/24/44/365352444.db2.gz PFLZNXFSWPETKE-RKDXNWHRSA-N 2 2 240.307 0.385 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)CCCSC ZINC000379884295 365337241 /nfs/dbraw/zinc/33/72/41/365337241.db2.gz XIIRXWFOOPQEAC-NSHDSACASA-N 2 2 234.409 0.984 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCCSC ZINC000379884295 365337244 /nfs/dbraw/zinc/33/72/44/365337244.db2.gz XIIRXWFOOPQEAC-NSHDSACASA-N 2 2 234.409 0.984 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CCCSC ZINC000379884295 365337252 /nfs/dbraw/zinc/33/72/52/365337252.db2.gz XIIRXWFOOPQEAC-NSHDSACASA-N 2 2 234.409 0.984 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCCSC ZINC000379884295 365337258 /nfs/dbraw/zinc/33/72/58/365337258.db2.gz XIIRXWFOOPQEAC-NSHDSACASA-N 2 2 234.409 0.984 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1cccc(O)c1 ZINC000579602746 366901284 /nfs/dbraw/zinc/90/12/84/366901284.db2.gz RAGHKUHAXJOWJO-CYBMUJFWSA-N 2 2 238.331 0.794 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000579602746 366901290 /nfs/dbraw/zinc/90/12/90/366901290.db2.gz RAGHKUHAXJOWJO-CYBMUJFWSA-N 2 2 238.331 0.794 20 0 BCADLP OCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000257775548 541484557 /nfs/dbraw/zinc/48/45/57/541484557.db2.gz WFNOKJDBJPNAHW-GFCCVEGCSA-N 2 2 228.336 0.165 20 0 BCADLP OCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000257775548 541484562 /nfs/dbraw/zinc/48/45/62/541484562.db2.gz WFNOKJDBJPNAHW-GFCCVEGCSA-N 2 2 228.336 0.165 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)CCn1cccn1 ZINC000580841204 367185315 /nfs/dbraw/zinc/18/53/15/367185315.db2.gz JDQSSQKLBQGFEO-LBPRGKRZSA-N 2 2 240.351 0.128 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCn1cccn1 ZINC000580841204 367185319 /nfs/dbraw/zinc/18/53/19/367185319.db2.gz JDQSSQKLBQGFEO-LBPRGKRZSA-N 2 2 240.351 0.128 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CCn1cccn1 ZINC000580841204 367185324 /nfs/dbraw/zinc/18/53/24/367185324.db2.gz JDQSSQKLBQGFEO-LBPRGKRZSA-N 2 2 240.351 0.128 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCn1cccn1 ZINC000580841204 367185329 /nfs/dbraw/zinc/18/53/29/367185329.db2.gz JDQSSQKLBQGFEO-LBPRGKRZSA-N 2 2 240.351 0.128 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000380224746 367157046 /nfs/dbraw/zinc/15/70/46/367157046.db2.gz NTNDKUDZACBCAT-JTQLQIEISA-N 2 2 236.319 0.867 20 0 BCADLP C[C@@H](CC(=O)N1CC[C@H]([NH3+])C1)n1cc[nH+]c1 ZINC000581019230 367238299 /nfs/dbraw/zinc/23/82/99/367238299.db2.gz TZDWBYKTPZFWEH-UWVGGRQHSA-N 2 2 222.292 0.394 20 0 BCADLP C[NH2+]C[C@@H](C)CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000581202809 367294703 /nfs/dbraw/zinc/29/47/03/367294703.db2.gz VYEBDYATZZBSID-SECBINFHSA-N 2 2 239.323 0.407 20 0 BCADLP C[NH2+]C[C@@H](C)CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000581202809 367294710 /nfs/dbraw/zinc/29/47/10/367294710.db2.gz VYEBDYATZZBSID-SECBINFHSA-N 2 2 239.323 0.407 20 0 BCADLP CC[C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000380971547 367326044 /nfs/dbraw/zinc/32/60/44/367326044.db2.gz APWHGKLVMCSBEV-VXGBXAGGSA-N 2 2 232.368 0.656 20 0 BCADLP CC[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000380971547 367326047 /nfs/dbraw/zinc/32/60/47/367326047.db2.gz APWHGKLVMCSBEV-VXGBXAGGSA-N 2 2 232.368 0.656 20 0 BCADLP CC[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)CCOC ZINC000380971547 367326051 /nfs/dbraw/zinc/32/60/51/367326051.db2.gz APWHGKLVMCSBEV-VXGBXAGGSA-N 2 2 232.368 0.656 20 0 BCADLP CC[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)CCOC ZINC000380971547 367326056 /nfs/dbraw/zinc/32/60/56/367326056.db2.gz APWHGKLVMCSBEV-VXGBXAGGSA-N 2 2 232.368 0.656 20 0 BCADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)S(C)(=O)=O ZINC000381531713 367426098 /nfs/dbraw/zinc/42/60/98/367426098.db2.gz ZJTWUDYUPLZZHN-GMTAPVOTSA-N 2 2 248.392 0.492 20 0 BCADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)S(C)(=O)=O ZINC000381531713 367426103 /nfs/dbraw/zinc/42/61/03/367426103.db2.gz ZJTWUDYUPLZZHN-GMTAPVOTSA-N 2 2 248.392 0.492 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000381444561 367404823 /nfs/dbraw/zinc/40/48/23/367404823.db2.gz FJMDKTUJPGZCOH-FOUMNBMASA-N 2 2 224.348 0.972 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000381444561 367404830 /nfs/dbraw/zinc/40/48/30/367404830.db2.gz FJMDKTUJPGZCOH-FOUMNBMASA-N 2 2 224.348 0.972 20 0 BCADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CC[C@H]2O)s1 ZINC000382030175 367479868 /nfs/dbraw/zinc/47/98/68/367479868.db2.gz DAYOCJUPSQGSQX-NXEZZACHSA-N 2 2 241.360 0.818 20 0 BCADLP C[C@@H]([NH2+]C1CC1)C(=O)NCCCn1cc[nH+]c1 ZINC000383189989 367605212 /nfs/dbraw/zinc/60/52/12/367605212.db2.gz UCJREXDLCFHYNT-SNVBAGLBSA-N 2 2 236.319 0.530 20 0 BCADLP COCC[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000153320810 325942930 /nfs/dbraw/zinc/94/29/30/325942930.db2.gz UGTSLFSEOHHBQG-QWHCGFSZSA-N 2 2 244.379 0.969 20 0 BCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc(O)c1 ZINC000383486376 367627793 /nfs/dbraw/zinc/62/77/93/367627793.db2.gz QULHHKMDLYFLIO-ZWNOBZJWSA-N 2 2 238.331 0.965 20 0 BCADLP CC[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000383604204 367642298 /nfs/dbraw/zinc/64/22/98/367642298.db2.gz RBLHOMJXPZPHJG-QWHCGFSZSA-N 2 2 244.379 0.657 20 0 BCADLP CC[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000383604204 367642301 /nfs/dbraw/zinc/64/23/01/367642301.db2.gz RBLHOMJXPZPHJG-QWHCGFSZSA-N 2 2 244.379 0.657 20 0 BCADLP CC[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000383604204 367642306 /nfs/dbraw/zinc/64/23/06/367642306.db2.gz RBLHOMJXPZPHJG-QWHCGFSZSA-N 2 2 244.379 0.657 20 0 BCADLP CC[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000383604204 367642313 /nfs/dbraw/zinc/64/23/13/367642313.db2.gz RBLHOMJXPZPHJG-QWHCGFSZSA-N 2 2 244.379 0.657 20 0 BCADLP C[C@@H]1[C@H](O)CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000384882133 367750408 /nfs/dbraw/zinc/75/04/08/367750408.db2.gz ISOWRDBCPQYHAY-KGYLQXTDSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@@H]1[C@H](O)CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000384882133 367750412 /nfs/dbraw/zinc/75/04/12/367750412.db2.gz ISOWRDBCPQYHAY-KGYLQXTDSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@@H]1[C@H](O)CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000384882133 367750420 /nfs/dbraw/zinc/75/04/20/367750420.db2.gz ISOWRDBCPQYHAY-KGYLQXTDSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@@H]1[C@H](O)CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000384882133 367750425 /nfs/dbraw/zinc/75/04/25/367750425.db2.gz ISOWRDBCPQYHAY-KGYLQXTDSA-N 2 2 242.363 0.287 20 0 BCADLP Cc1cnccc1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000384917442 367757521 /nfs/dbraw/zinc/75/75/21/367757521.db2.gz DMCQXPIVKSLQOR-ZDUSSCGKSA-N 2 2 234.347 0.465 20 0 BCADLP Cc1cnccc1CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000384917442 367757525 /nfs/dbraw/zinc/75/75/25/367757525.db2.gz DMCQXPIVKSLQOR-ZDUSSCGKSA-N 2 2 234.347 0.465 20 0 BCADLP CCC(C)(C)NC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000385089593 367788406 /nfs/dbraw/zinc/78/84/06/367788406.db2.gz XRTMFXKGVTXYKY-UHFFFAOYSA-N 2 2 227.352 0.713 20 0 BCADLP CCC(C)(C)NC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000385089593 367788411 /nfs/dbraw/zinc/78/84/11/367788411.db2.gz XRTMFXKGVTXYKY-UHFFFAOYSA-N 2 2 227.352 0.713 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCc1ccnn1C ZINC000385181554 367804598 /nfs/dbraw/zinc/80/45/98/367804598.db2.gz IYTAFNDFMBSZKM-NXEZZACHSA-N 2 2 208.309 0.384 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCc1ccnn1C ZINC000385181554 367804606 /nfs/dbraw/zinc/80/46/06/367804606.db2.gz IYTAFNDFMBSZKM-NXEZZACHSA-N 2 2 208.309 0.384 20 0 BCADLP CC[C@H]1[NH2+]CC[C@H]1c1nc(C[NH2+]C)no1 ZINC000581883818 367875173 /nfs/dbraw/zinc/87/51/73/367875173.db2.gz BLDMADVDOKJGCF-HTQZYQBOSA-N 2 2 210.281 0.645 20 0 BCADLP CN(C(=O)CCn1cc[nH+]c1)C1(C[NH3+])CCC1 ZINC000385404900 367826561 /nfs/dbraw/zinc/82/65/61/367826561.db2.gz XHAVMNQETMLYJK-UHFFFAOYSA-N 2 2 236.319 0.613 20 0 BCADLP C[N@@H+]1CCN(C(=O)C2CCCC2)[C@H](C[NH3+])C1 ZINC000087613494 367917244 /nfs/dbraw/zinc/91/72/44/367917244.db2.gz POBLXBCRXDUVTP-LLVKDONJSA-N 2 2 225.336 0.278 20 0 BCADLP C[N@H+]1CCN(C(=O)C2CCCC2)[C@H](C[NH3+])C1 ZINC000087613494 367917246 /nfs/dbraw/zinc/91/72/46/367917246.db2.gz POBLXBCRXDUVTP-LLVKDONJSA-N 2 2 225.336 0.278 20 0 BCADLP CCN(C)C(=O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386622782 368003746 /nfs/dbraw/zinc/00/37/46/368003746.db2.gz YLDFWIBBGYFBJI-MNOVXSKESA-N 2 2 227.352 0.585 20 0 BCADLP C[N@@H+]1CCC[C@H]1C[NH2+]CC1(O)CCOCC1 ZINC000386627728 368003235 /nfs/dbraw/zinc/00/32/35/368003235.db2.gz KYEIPDZUNJDNMX-NSHDSACASA-N 2 2 228.336 0.212 20 0 BCADLP C[N@H+]1CCC[C@H]1C[NH2+]CC1(O)CCOCC1 ZINC000386627728 368003244 /nfs/dbraw/zinc/00/32/44/368003244.db2.gz KYEIPDZUNJDNMX-NSHDSACASA-N 2 2 228.336 0.212 20 0 BCADLP CC[N@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000566329071 326033912 /nfs/dbraw/zinc/03/39/12/326033912.db2.gz XHTBRKXYWJVKIU-NSHDSACASA-N 2 2 238.335 0.902 20 0 BCADLP CC[N@@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000566329071 326033916 /nfs/dbraw/zinc/03/39/16/326033916.db2.gz XHTBRKXYWJVKIU-NSHDSACASA-N 2 2 238.335 0.902 20 0 BCADLP C[N@@H+]1CC[C@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000058503743 368513277 /nfs/dbraw/zinc/51/32/77/368513277.db2.gz DEYGCPBMEVTTFZ-NSHDSACASA-N 2 2 236.319 0.341 20 0 BCADLP C[N@H+]1CC[C@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000058503743 368513280 /nfs/dbraw/zinc/51/32/80/368513280.db2.gz DEYGCPBMEVTTFZ-NSHDSACASA-N 2 2 236.319 0.341 20 0 BCADLP COC[C@@H]1CC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000567179851 326131294 /nfs/dbraw/zinc/13/12/94/326131294.db2.gz WTHAQAOGXJBSER-RYUDHWBXSA-N 2 2 230.352 0.408 20 0 BCADLP COC[C@@H]1CC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000567179851 326131298 /nfs/dbraw/zinc/13/12/98/326131298.db2.gz WTHAQAOGXJBSER-RYUDHWBXSA-N 2 2 230.352 0.408 20 0 BCADLP COC[C@@H]1CC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000567179851 326131300 /nfs/dbraw/zinc/13/13/00/326131300.db2.gz WTHAQAOGXJBSER-RYUDHWBXSA-N 2 2 230.352 0.408 20 0 BCADLP COC[C@@H]1CC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000567179851 326131303 /nfs/dbraw/zinc/13/13/03/326131303.db2.gz WTHAQAOGXJBSER-RYUDHWBXSA-N 2 2 230.352 0.408 20 0 BCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)Nc2ccccn2)C1 ZINC000631821187 368971432 /nfs/dbraw/zinc/97/14/32/368971432.db2.gz RCDCTJRARVNSML-SNVBAGLBSA-N 2 2 234.303 0.301 20 0 BCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)Nc2ccccn2)C1 ZINC000631821187 368971437 /nfs/dbraw/zinc/97/14/37/368971437.db2.gz RCDCTJRARVNSML-SNVBAGLBSA-N 2 2 234.303 0.301 20 0 BCADLP Cc1nccnc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000631821957 368974946 /nfs/dbraw/zinc/97/49/46/368974946.db2.gz OLFGRRACMZHQAK-MWLCHTKSSA-N 2 2 220.320 0.954 20 0 BCADLP Cc1nccnc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000631821957 368974948 /nfs/dbraw/zinc/97/49/48/368974948.db2.gz OLFGRRACMZHQAK-MWLCHTKSSA-N 2 2 220.320 0.954 20 0 BCADLP CN1CCC[C@H]([N@@H+]2CCCCC[C@H]([NH3+])C2)C1=O ZINC000631835792 369048275 /nfs/dbraw/zinc/04/82/75/369048275.db2.gz XWLMDWBMGWGURJ-RYUDHWBXSA-N 2 2 239.363 0.811 20 0 BCADLP CN1CCC[C@H]([N@H+]2CCCCC[C@H]([NH3+])C2)C1=O ZINC000631835792 369048280 /nfs/dbraw/zinc/04/82/80/369048280.db2.gz XWLMDWBMGWGURJ-RYUDHWBXSA-N 2 2 239.363 0.811 20 0 BCADLP c1nc2n(n1)[C@@H](C[N@@H+]1CCC[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000631827567 368994508 /nfs/dbraw/zinc/99/45/08/368994508.db2.gz QNHRXLFXJDNNST-QJPTWQEYSA-N 2 2 247.346 0.449 20 0 BCADLP c1nc2n(n1)[C@@H](C[N@H+]1CCC[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000631827567 368994514 /nfs/dbraw/zinc/99/45/14/368994514.db2.gz QNHRXLFXJDNNST-QJPTWQEYSA-N 2 2 247.346 0.449 20 0 BCADLP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1([NH3+])CCC1 ZINC000332422362 181458485 /nfs/dbraw/zinc/45/84/85/181458485.db2.gz CXHBVWQQPALXCE-MNOVXSKESA-N 3 2 211.353 0.975 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+](C)CCc1c[nH+]cn1C ZINC000459380074 203270001 /nfs/dbraw/zinc/27/00/01/203270001.db2.gz QBFIQBDAOUBOHP-JTQLQIEISA-N 2 2 239.319 0.846 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459380074 203270005 /nfs/dbraw/zinc/27/00/05/203270005.db2.gz QBFIQBDAOUBOHP-JTQLQIEISA-N 2 2 239.319 0.846 20 0 BCADLP Cn1c[nH+]cc1CN[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108424024 369394356 /nfs/dbraw/zinc/39/43/56/369394356.db2.gz SBEZGNKVCGADET-LBPRGKRZSA-N 2 2 234.347 0.994 20 0 BCADLP Cn1c[nH+]cc1CN[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108424024 369394361 /nfs/dbraw/zinc/39/43/61/369394361.db2.gz SBEZGNKVCGADET-LBPRGKRZSA-N 2 2 234.347 0.994 20 0 BCADLP [NH3+]CC1(CC(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000567796328 326259022 /nfs/dbraw/zinc/25/90/22/326259022.db2.gz UAWGULLBEZWKSV-UHFFFAOYSA-N 2 2 208.265 0.155 20 0 BCADLP O=C(Nc1cc[nH+]cc1O)[C@@H]1CCC[NH2+]C1 ZINC000567801996 326259515 /nfs/dbraw/zinc/25/95/15/326259515.db2.gz LZLSUJDZIICEOC-MRVPVSSYSA-N 2 2 221.260 0.147 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1C[C@@H]2C[C@H]1CS2)C1CC1 ZINC000459789783 203371461 /nfs/dbraw/zinc/37/14/61/203371461.db2.gz FYILTHBEPJLBJV-SRVKXCTJSA-N 2 2 242.388 0.631 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H]2C[C@H]1CS2)C1CC1 ZINC000459789783 203371462 /nfs/dbraw/zinc/37/14/62/203371462.db2.gz FYILTHBEPJLBJV-SRVKXCTJSA-N 2 2 242.388 0.631 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CS2)C1CC1 ZINC000459789783 203371465 /nfs/dbraw/zinc/37/14/65/203371465.db2.gz FYILTHBEPJLBJV-SRVKXCTJSA-N 2 2 242.388 0.631 20 0 BCADLP C[N@H+](CCC(=O)NC1CCCC1)[C@H]1CC[NH2+]C1 ZINC000567893381 326277954 /nfs/dbraw/zinc/27/79/54/326277954.db2.gz LNVJVVJXVYSBNI-LBPRGKRZSA-N 2 2 239.363 0.729 20 0 BCADLP C[N@@H+](CCC(=O)NC1CCCC1)[C@H]1CC[NH2+]C1 ZINC000567893381 326277955 /nfs/dbraw/zinc/27/79/55/326277955.db2.gz LNVJVVJXVYSBNI-LBPRGKRZSA-N 2 2 239.363 0.729 20 0 BCADLP C[C@H](C[NH3+])N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000567909097 326281340 /nfs/dbraw/zinc/28/13/40/326281340.db2.gz DCKFBTVRAUEQAY-VHSXEESVSA-N 2 2 224.308 0.640 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C(C)C)[C@@H]1CCOC1 ZINC000567910585 326282091 /nfs/dbraw/zinc/28/20/91/326282091.db2.gz CKVJZERHWGYNTK-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](C(C)C)[C@@H]1CCOC1 ZINC000567910585 326282094 /nfs/dbraw/zinc/28/20/94/326282094.db2.gz CKVJZERHWGYNTK-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C(C)C)[C@@H]1CCOC1 ZINC000567910585 326282095 /nfs/dbraw/zinc/28/20/95/326282095.db2.gz CKVJZERHWGYNTK-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CCCNC(=O)[C@H](C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453467 370045489 /nfs/dbraw/zinc/04/54/89/370045489.db2.gz LDMFSEVJHXRHBR-DCAQKATOSA-N 2 2 225.336 0.052 20 0 BCADLP C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C[C@@H]1CO ZINC000621372160 370309467 /nfs/dbraw/zinc/30/94/67/370309467.db2.gz QKRNBVAALMLAHW-VXGBXAGGSA-N 2 2 223.320 0.833 20 0 BCADLP C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C[C@@H]1CO ZINC000621372160 370309471 /nfs/dbraw/zinc/30/94/71/370309471.db2.gz QKRNBVAALMLAHW-VXGBXAGGSA-N 2 2 223.320 0.833 20 0 BCADLP CCn1nccc1CC[N@H+](C)[C@@H](C)C[NH3+] ZINC000621773823 370519168 /nfs/dbraw/zinc/51/91/68/370519168.db2.gz CODQAFYIANVCGB-JTQLQIEISA-N 2 2 210.325 0.725 20 0 BCADLP CCn1nccc1CC[N@@H+](C)[C@@H](C)C[NH3+] ZINC000621773823 370519172 /nfs/dbraw/zinc/51/91/72/370519172.db2.gz CODQAFYIANVCGB-JTQLQIEISA-N 2 2 210.325 0.725 20 0 BCADLP CCn1nccc1CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000621776313 370524316 /nfs/dbraw/zinc/52/43/16/370524316.db2.gz IRZMTRRRIPJWRS-JQWIXIFHSA-N 2 2 222.336 0.867 20 0 BCADLP CCn1nccc1CC[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000621776313 370524318 /nfs/dbraw/zinc/52/43/18/370524318.db2.gz IRZMTRRRIPJWRS-JQWIXIFHSA-N 2 2 222.336 0.867 20 0 BCADLP C[N@@H+](Cc1cncc(Cl)c1)C[C@@H](O)C[NH3+] ZINC000621776372 370524528 /nfs/dbraw/zinc/52/45/28/370524528.db2.gz KAMCIHKOXKQNTD-JTQLQIEISA-N 2 2 229.711 0.486 20 0 BCADLP C[N@H+](Cc1cncc(Cl)c1)C[C@@H](O)C[NH3+] ZINC000621776372 370524531 /nfs/dbraw/zinc/52/45/31/370524531.db2.gz KAMCIHKOXKQNTD-JTQLQIEISA-N 2 2 229.711 0.486 20 0 BCADLP Cc1cc(C[NH2+]C2(CO)CC[NH2+]CC2)ccn1 ZINC000621776745 370526248 /nfs/dbraw/zinc/52/62/48/370526248.db2.gz VDORTCXSIWKEOY-UHFFFAOYSA-N 2 2 235.331 0.594 20 0 BCADLP Cn1c[nH+]cc1CN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621782833 370530972 /nfs/dbraw/zinc/53/09/72/370530972.db2.gz SXWOLRDIAZHYSP-PWSUYJOCSA-N 2 2 220.320 0.733 20 0 BCADLP COCCOCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621782671 370532632 /nfs/dbraw/zinc/53/26/32/370532632.db2.gz RGIQYYPFHZFINX-RYUDHWBXSA-N 2 2 228.336 0.463 20 0 BCADLP COCCOCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621782671 370532633 /nfs/dbraw/zinc/53/26/33/370532633.db2.gz RGIQYYPFHZFINX-RYUDHWBXSA-N 2 2 228.336 0.463 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621784279 370535991 /nfs/dbraw/zinc/53/59/91/370535991.db2.gz MIQWJCCXXYPRSP-CKYFFXLPSA-N 2 2 225.336 0.276 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621784279 370535997 /nfs/dbraw/zinc/53/59/97/370535997.db2.gz MIQWJCCXXYPRSP-CKYFFXLPSA-N 2 2 225.336 0.276 20 0 BCADLP CCC[N@H+](C)CC(=O)NCCc1cn(C)c[nH+]1 ZINC000622685740 371062849 /nfs/dbraw/zinc/06/28/49/371062849.db2.gz IQJPFYHMOJHNFA-UHFFFAOYSA-N 2 2 238.335 0.421 20 0 BCADLP CCC[N@@H+](C)CC(=O)NCCc1cn(C)c[nH+]1 ZINC000622685740 371062852 /nfs/dbraw/zinc/06/28/52/371062852.db2.gz IQJPFYHMOJHNFA-UHFFFAOYSA-N 2 2 238.335 0.421 20 0 BCADLP CO[C@H]1CCC[C@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000623758691 371083492 /nfs/dbraw/zinc/08/34/92/371083492.db2.gz KVAPCNRUMWZTLZ-XQQFMLRXSA-N 2 2 242.363 0.600 20 0 BCADLP CO[C@H]1CCC[C@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000623758691 371083495 /nfs/dbraw/zinc/08/34/95/371083495.db2.gz KVAPCNRUMWZTLZ-XQQFMLRXSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCN(C)CC(F)F ZINC000623831865 371117097 /nfs/dbraw/zinc/11/70/97/371117097.db2.gz XZCPFYUKHASFRJ-VHSXEESVSA-N 2 2 235.322 0.723 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN(C)CC(F)F ZINC000623831865 371117101 /nfs/dbraw/zinc/11/71/01/371117101.db2.gz XZCPFYUKHASFRJ-VHSXEESVSA-N 2 2 235.322 0.723 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)CCO1 ZINC000623837471 371119203 /nfs/dbraw/zinc/11/92/03/371119203.db2.gz GLRLQOVJDAVGNG-WOPDTQHZSA-N 2 2 228.336 0.210 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)CCO1 ZINC000623837471 371119207 /nfs/dbraw/zinc/11/92/07/371119207.db2.gz GLRLQOVJDAVGNG-WOPDTQHZSA-N 2 2 228.336 0.210 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+]C[C@H]2CC=CCC2)C1 ZINC000623835963 371119827 /nfs/dbraw/zinc/11/98/27/371119827.db2.gz FGIZNMKRZSEQHK-STQMWFEESA-N 2 2 224.348 0.999 20 0 BCADLP O[C@H]1CC[N@@H+](CC[NH2+]C[C@H]2CC=CCC2)C1 ZINC000623835963 371119832 /nfs/dbraw/zinc/11/98/32/371119832.db2.gz FGIZNMKRZSEQHK-STQMWFEESA-N 2 2 224.348 0.999 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+]C[C@@H]2CCSC2)C1 ZINC000623837879 371120977 /nfs/dbraw/zinc/12/09/77/371120977.db2.gz YKMCECWRZIGFKT-QWRGUYRKSA-N 2 2 230.377 0.396 20 0 BCADLP O[C@H]1CC[N@@H+](CC[NH2+]C[C@@H]2CCSC2)C1 ZINC000623837879 371120980 /nfs/dbraw/zinc/12/09/80/371120980.db2.gz YKMCECWRZIGFKT-QWRGUYRKSA-N 2 2 230.377 0.396 20 0 BCADLP C[NH+]1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000623843889 371123512 /nfs/dbraw/zinc/12/35/12/371123512.db2.gz CLZNAWCHXQTZFU-UHFFFAOYSA-N 2 2 236.319 0.437 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000624131379 371332495 /nfs/dbraw/zinc/33/24/95/371332495.db2.gz LZKXUOFQQVPNFN-DNRKLUKYSA-N 2 2 237.347 0.323 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000624131379 371332497 /nfs/dbraw/zinc/33/24/97/371332497.db2.gz LZKXUOFQQVPNFN-DNRKLUKYSA-N 2 2 237.347 0.323 20 0 BCADLP C[C@H](CC1CC1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624228526 371414029 /nfs/dbraw/zinc/41/40/29/371414029.db2.gz UYUAQOSGISYCEJ-ZYHUDNBSSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@H](CC1CC1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624228526 371414034 /nfs/dbraw/zinc/41/40/34/371414034.db2.gz UYUAQOSGISYCEJ-ZYHUDNBSSA-N 2 2 212.337 0.831 20 0 BCADLP COC1CCC([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000624229704 371416328 /nfs/dbraw/zinc/41/63/28/371416328.db2.gz AIZKTQKHJRSYLP-OTTFEQOBSA-N 2 2 242.363 0.600 20 0 BCADLP COC1CCC([NH2+]CC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000624229704 371416332 /nfs/dbraw/zinc/41/63/32/371416332.db2.gz AIZKTQKHJRSYLP-OTTFEQOBSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H](CCCCO)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624230026 371418784 /nfs/dbraw/zinc/41/87/84/371418784.db2.gz KWSQPNOTDSYHLI-NWDGAFQWSA-N 2 2 230.352 0.194 20 0 BCADLP C[C@@H](CCCCO)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624230026 371418789 /nfs/dbraw/zinc/41/87/89/371418789.db2.gz KWSQPNOTDSYHLI-NWDGAFQWSA-N 2 2 230.352 0.194 20 0 BCADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)[C@H]1CCCOC1 ZINC000624337834 371487964 /nfs/dbraw/zinc/48/79/64/371487964.db2.gz POHGERXXFXJSAE-AGIUHOORSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)[C@H]1CCCOC1 ZINC000624337834 371487967 /nfs/dbraw/zinc/48/79/67/371487967.db2.gz POHGERXXFXJSAE-AGIUHOORSA-N 2 2 242.363 0.458 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627368546 371586198 /nfs/dbraw/zinc/58/61/98/371586198.db2.gz XJYHZNSLTZJMHH-NSHDSACASA-N 2 2 234.303 0.389 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627368546 371586201 /nfs/dbraw/zinc/58/62/01/371586201.db2.gz XJYHZNSLTZJMHH-NSHDSACASA-N 2 2 234.303 0.389 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627368546 371586203 /nfs/dbraw/zinc/58/62/03/371586203.db2.gz XJYHZNSLTZJMHH-NSHDSACASA-N 2 2 234.303 0.389 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627368546 371586208 /nfs/dbraw/zinc/58/62/08/371586208.db2.gz XJYHZNSLTZJMHH-NSHDSACASA-N 2 2 234.303 0.389 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2nccnc2C)C1 ZINC000631821775 372596779 /nfs/dbraw/zinc/59/67/79/372596779.db2.gz JANQJPOKOKOIQJ-NSHDSACASA-N 2 2 220.320 0.826 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2nccnc2C)C1 ZINC000631821775 372596784 /nfs/dbraw/zinc/59/67/84/372596784.db2.gz JANQJPOKOKOIQJ-NSHDSACASA-N 2 2 220.320 0.826 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000631821760 372596830 /nfs/dbraw/zinc/59/68/30/372596830.db2.gz IGUWITGHZZPJDL-MNOVXSKESA-N 2 2 235.335 0.449 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000631821760 372596835 /nfs/dbraw/zinc/59/68/35/372596835.db2.gz IGUWITGHZZPJDL-MNOVXSKESA-N 2 2 235.335 0.449 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](Cc2nccnc2C)C1 ZINC000631821774 372597216 /nfs/dbraw/zinc/59/72/16/372597216.db2.gz JANQJPOKOKOIQJ-LLVKDONJSA-N 2 2 220.320 0.826 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2nccnc2C)C1 ZINC000631821774 372597220 /nfs/dbraw/zinc/59/72/20/372597220.db2.gz JANQJPOKOKOIQJ-LLVKDONJSA-N 2 2 220.320 0.826 20 0 BCADLP C[C@@H]1CC[N@H+](C[C@H]2CCc3ncnn32)[C@H](C[NH3+])C1 ZINC000631829410 372611587 /nfs/dbraw/zinc/61/15/87/372611587.db2.gz PWKGCMQPQBTSCE-UTUOFQBUSA-N 2 2 249.362 0.825 20 0 BCADLP C[C@@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)[C@H](C[NH3+])C1 ZINC000631829410 372611591 /nfs/dbraw/zinc/61/15/91/372611591.db2.gz PWKGCMQPQBTSCE-UTUOFQBUSA-N 2 2 249.362 0.825 20 0 BCADLP [NH3+][C@@H]1C[N@H+](C[C@H]2CCCCO2)CC[C@H]1F ZINC000631829277 372611619 /nfs/dbraw/zinc/61/16/19/372611619.db2.gz MLQORZLVDFDIHC-GMTAPVOTSA-N 2 2 216.300 0.927 20 0 BCADLP [NH3+][C@@H]1C[N@@H+](C[C@H]2CCCCO2)CC[C@H]1F ZINC000631829277 372611622 /nfs/dbraw/zinc/61/16/22/372611622.db2.gz MLQORZLVDFDIHC-GMTAPVOTSA-N 2 2 216.300 0.927 20 0 BCADLP [NH3+][C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)CC[C@H]1F ZINC000631830594 372614227 /nfs/dbraw/zinc/61/42/27/372614227.db2.gz WVYHIUMXVZAGRD-IVZWLZJFSA-N 2 2 239.298 0.137 20 0 BCADLP [NH3+][C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)CC[C@H]1F ZINC000631830594 372614232 /nfs/dbraw/zinc/61/42/32/372614232.db2.gz WVYHIUMXVZAGRD-IVZWLZJFSA-N 2 2 239.298 0.137 20 0 BCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631831413 372614840 /nfs/dbraw/zinc/61/48/40/372614840.db2.gz CYHNMEJSKGEPRE-WDEREUQCSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631831413 372614846 /nfs/dbraw/zinc/61/48/46/372614846.db2.gz CYHNMEJSKGEPRE-WDEREUQCSA-N 2 2 239.363 0.857 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631832082 372616865 /nfs/dbraw/zinc/61/68/65/372616865.db2.gz YFZKBMWGUGCVOU-LLVKDONJSA-N 2 2 227.352 0.714 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631832082 372616869 /nfs/dbraw/zinc/61/68/69/372616869.db2.gz YFZKBMWGUGCVOU-LLVKDONJSA-N 2 2 227.352 0.714 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631835776 372623004 /nfs/dbraw/zinc/62/30/04/372623004.db2.gz XIBQPZIDGURFAG-GHMZBOCLSA-N 2 2 227.352 0.666 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631835776 372623008 /nfs/dbraw/zinc/62/30/08/372623008.db2.gz XIBQPZIDGURFAG-GHMZBOCLSA-N 2 2 227.352 0.666 20 0 BCADLP CN1CC[C@@H]([N@@H+]2CCCCC[C@@H]([NH3+])C2)C1=O ZINC000631835597 372623645 /nfs/dbraw/zinc/62/36/45/372623645.db2.gz VQSTXBUZJRRJNX-GHMZBOCLSA-N 2 2 225.336 0.420 20 0 BCADLP CN1CC[C@@H]([N@H+]2CCCCC[C@@H]([NH3+])C2)C1=O ZINC000631835597 372623650 /nfs/dbraw/zinc/62/36/50/372623650.db2.gz VQSTXBUZJRRJNX-GHMZBOCLSA-N 2 2 225.336 0.420 20 0 BCADLP C[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)C[C@H]1C[NH3+] ZINC000631836553 372623701 /nfs/dbraw/zinc/62/37/01/372623701.db2.gz BHMYXUMDPWHVSP-GHMZBOCLSA-N 2 2 234.347 0.856 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)C[C@H]1C[NH3+] ZINC000631836553 372623705 /nfs/dbraw/zinc/62/37/05/372623705.db2.gz BHMYXUMDPWHVSP-GHMZBOCLSA-N 2 2 234.347 0.856 20 0 BCADLP CC(C)n1ncnc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631836687 372625139 /nfs/dbraw/zinc/62/51/39/372625139.db2.gz FAQGLYJYHLTUAA-GHMZBOCLSA-N 2 2 237.351 0.886 20 0 BCADLP CC(C)n1ncnc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631836687 372625145 /nfs/dbraw/zinc/62/51/45/372625145.db2.gz FAQGLYJYHLTUAA-GHMZBOCLSA-N 2 2 237.351 0.886 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCOC[C@@H]1CCCO1 ZINC000631860711 372660448 /nfs/dbraw/zinc/66/04/48/372660448.db2.gz NPVWAQXQHMSVMT-WOPDTQHZSA-N 2 2 228.336 0.604 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCOC[C@@H]1CCCO1 ZINC000631860711 372660450 /nfs/dbraw/zinc/66/04/50/372660450.db2.gz NPVWAQXQHMSVMT-WOPDTQHZSA-N 2 2 228.336 0.604 20 0 BCADLP Cc1noc([C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000631842185 372641478 /nfs/dbraw/zinc/64/14/78/372641478.db2.gz WRZIDSAANZLXKE-KHQFGBGNSA-N 2 2 224.308 0.966 20 0 BCADLP Cc1noc([C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000631842185 372641480 /nfs/dbraw/zinc/64/14/80/372641480.db2.gz WRZIDSAANZLXKE-KHQFGBGNSA-N 2 2 224.308 0.966 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000631861506 372661847 /nfs/dbraw/zinc/66/18/47/372661847.db2.gz CQNJCMKDIJSHTC-UTLUCORTSA-N 2 2 221.308 0.187 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000631861506 372661855 /nfs/dbraw/zinc/66/18/55/372661855.db2.gz CQNJCMKDIJSHTC-UTLUCORTSA-N 2 2 221.308 0.187 20 0 BCADLP COC[C@H](C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C)OC ZINC000631861901 372662153 /nfs/dbraw/zinc/66/21/53/372662153.db2.gz JSGBVFSJIXACOQ-UTLUCORTSA-N 2 2 202.298 0.069 20 0 BCADLP COC[C@H](C[N@H+]1C[C@@H]([NH3+])C[C@H]1C)OC ZINC000631861901 372662156 /nfs/dbraw/zinc/66/21/56/372662156.db2.gz JSGBVFSJIXACOQ-UTLUCORTSA-N 2 2 202.298 0.069 20 0 BCADLP Cc1cnccc1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000631861881 372663626 /nfs/dbraw/zinc/66/36/26/372663626.db2.gz JLIBFTSMIJMERG-UHFFFAOYSA-N 2 2 249.358 0.936 20 0 BCADLP Cc1nocc1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863198 372665426 /nfs/dbraw/zinc/66/54/26/372665426.db2.gz XVWUYRNCPUPYQO-UHFFFAOYSA-N 2 2 239.319 0.529 20 0 BCADLP COCCOCC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867543 372669942 /nfs/dbraw/zinc/66/99/42/372669942.db2.gz WNCKPTWOTGYEIJ-NEPJUHHUSA-N 2 2 228.336 0.381 20 0 BCADLP Cn1cc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cn1 ZINC000631889304 372684696 /nfs/dbraw/zinc/68/46/96/372684696.db2.gz ICHZXRLYRSFDCJ-STQMWFEESA-N 2 2 234.347 0.994 20 0 BCADLP Cn1cc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cn1 ZINC000631889304 372684707 /nfs/dbraw/zinc/68/47/07/372684707.db2.gz ICHZXRLYRSFDCJ-STQMWFEESA-N 2 2 234.347 0.994 20 0 BCADLP Cn1cc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cn1 ZINC000631889301 372685303 /nfs/dbraw/zinc/68/53/03/372685303.db2.gz ICHZXRLYRSFDCJ-CHWSQXEVSA-N 2 2 234.347 0.994 20 0 BCADLP Cn1cc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cn1 ZINC000631889301 372685306 /nfs/dbraw/zinc/68/53/06/372685306.db2.gz ICHZXRLYRSFDCJ-CHWSQXEVSA-N 2 2 234.347 0.994 20 0 BCADLP Cc1cc(NC(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc[nH+]1 ZINC000632927471 373223081 /nfs/dbraw/zinc/22/30/81/373223081.db2.gz KNRJQZRVSZVVNF-ZJUUUORDSA-N 2 2 234.303 0.765 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000632926890 373223750 /nfs/dbraw/zinc/22/37/50/373223750.db2.gz GDNATTRLYDMHKA-GHMZBOCLSA-N 2 2 248.330 0.870 20 0 BCADLP O=C(NCCCNc1cccc[nH+]1)[C@@H]1CCC[NH2+]1 ZINC000165239880 182168999 /nfs/dbraw/zinc/16/89/99/182168999.db2.gz DPEVJOXBXZRUBZ-NSHDSACASA-N 2 2 248.330 0.752 20 0 BCADLP O=C(NCCCn1cc[nH+]c1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364149549 182179334 /nfs/dbraw/zinc/17/93/34/182179334.db2.gz ZWMXZHXKCXXBGN-YPMHNXCESA-N 2 2 248.330 0.389 20 0 BCADLP O=C(NCC[NH+]1CCCCC1)[C@@H]1CSC[NH2+]1 ZINC000049575449 182184429 /nfs/dbraw/zinc/18/44/29/182184429.db2.gz PKJXDHRDLUYSOZ-JTQLQIEISA-N 2 2 243.376 0.251 20 0 BCADLP O=C(NCc1c[nH+]c[nH]1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250762709 182248206 /nfs/dbraw/zinc/24/82/06/182248206.db2.gz IXNXRLHFCXEEQE-JLLWLGSASA-N 2 2 248.330 0.947 20 0 BCADLP O=C(NCc1c[nH]c[nH+]1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250762709 182248209 /nfs/dbraw/zinc/24/82/09/182248209.db2.gz IXNXRLHFCXEEQE-JLLWLGSASA-N 2 2 248.330 0.947 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262360137 182273306 /nfs/dbraw/zinc/27/33/06/182273306.db2.gz KIUHRIQQOBMHEE-GXFFZTMASA-N 2 2 248.330 0.806 20 0 BCADLP CN1CC[C@H]([N@H+](C)C[C@H]2CCC[NH+](C)C2)C1=O ZINC000246678641 374285508 /nfs/dbraw/zinc/28/55/08/374285508.db2.gz BAKYKKIQASNTMB-RYUDHWBXSA-N 2 2 239.363 0.491 20 0 BCADLP CN1CC[C@H]([N@@H+](C)C[C@H]2CCC[NH+](C)C2)C1=O ZINC000246678641 374285511 /nfs/dbraw/zinc/28/55/11/374285511.db2.gz BAKYKKIQASNTMB-RYUDHWBXSA-N 2 2 239.363 0.491 20 0 BCADLP CN1CC[C@H]([NH+](C)C[C@H]2CCC[N@H+](C)C2)C1=O ZINC000246678641 374285514 /nfs/dbraw/zinc/28/55/14/374285514.db2.gz BAKYKKIQASNTMB-RYUDHWBXSA-N 2 2 239.363 0.491 20 0 BCADLP CN1CC[C@H]([NH+](C)C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC000246678641 374285516 /nfs/dbraw/zinc/28/55/16/374285516.db2.gz BAKYKKIQASNTMB-RYUDHWBXSA-N 2 2 239.363 0.491 20 0 BCADLP [NH3+][C@@H]1C[C@@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000424129169 206031663 /nfs/dbraw/zinc/03/16/63/206031663.db2.gz GEXADQIBRGUPNN-VHSXEESVSA-N 2 2 234.303 0.347 20 0 BCADLP C[NH+](C)CC(C)(C)[NH2+]CCCN1CCOCC1 ZINC000459544359 206133123 /nfs/dbraw/zinc/13/31/23/206133123.db2.gz DMBZIJMAWHLYDB-UHFFFAOYSA-N 2 2 243.395 0.639 20 0 BCADLP CCN(C)C(=O)CC[NH2+]C(C)(C)C[NH+](C)C ZINC000459543308 206133337 /nfs/dbraw/zinc/13/33/37/206133337.db2.gz CELQNHDGKABRGS-UHFFFAOYSA-N 2 2 229.368 0.785 20 0 BCADLP OCCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000304307328 183057169 /nfs/dbraw/zinc/05/71/69/183057169.db2.gz MWLAXIPLBQXJRX-GFCCVEGCSA-N 2 2 228.336 0.023 20 0 BCADLP OCCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000304307328 183057176 /nfs/dbraw/zinc/05/71/76/183057176.db2.gz MWLAXIPLBQXJRX-GFCCVEGCSA-N 2 2 228.336 0.023 20 0 BCADLP OC[C@@H]1CCCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000372886543 183115079 /nfs/dbraw/zinc/11/50/79/183115079.db2.gz XXAABOIQUUCXHD-GFCCVEGCSA-N 2 2 223.320 0.978 20 0 BCADLP OC[C@@H]1CCCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000372886543 183115080 /nfs/dbraw/zinc/11/50/80/183115080.db2.gz XXAABOIQUUCXHD-GFCCVEGCSA-N 2 2 223.320 0.978 20 0 BCADLP CCCC[C@H]([NH3+])C(=O)NCc1[nH]cc[nH+]1 ZINC000070646649 169007150 /nfs/dbraw/zinc/00/71/50/169007150.db2.gz PHSBDIHKORBMTN-QMMMGPOBSA-N 2 2 210.281 0.543 20 0 BCADLP OC[C@]1(F)CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000287034152 183157964 /nfs/dbraw/zinc/15/79/64/183157964.db2.gz SNULAWHWVDEEFU-NSHDSACASA-N 2 2 227.283 0.680 20 0 BCADLP OC[C@]1(F)CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000287034152 183157965 /nfs/dbraw/zinc/15/79/65/183157965.db2.gz SNULAWHWVDEEFU-NSHDSACASA-N 2 2 227.283 0.680 20 0 BCADLP OCc1ccc(C[NH2+]CCn2cc[nH+]c2)o1 ZINC000077897957 183165567 /nfs/dbraw/zinc/16/55/67/183165567.db2.gz SOZRWIDCIXMDQN-UHFFFAOYSA-N 2 2 221.260 0.758 20 0 BCADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N(C)C)CC1 ZINC000111240562 169186067 /nfs/dbraw/zinc/18/60/67/169186067.db2.gz WTBQDXXQKFBROP-UHFFFAOYSA-N 2 2 241.379 0.881 20 0 BCADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N(C)C)CC1 ZINC000111240562 169186068 /nfs/dbraw/zinc/18/60/68/169186068.db2.gz WTBQDXXQKFBROP-UHFFFAOYSA-N 2 2 241.379 0.881 20 0 BCADLP CCC[NH+]1CCC([NH2+]CCS(C)(=O)=O)CC1 ZINC000037740412 169187992 /nfs/dbraw/zinc/18/79/92/169187992.db2.gz NFVFMHIXDLGDCB-UHFFFAOYSA-N 2 2 248.392 0.495 20 0 BCADLP c1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)on1 ZINC000335913531 183346549 /nfs/dbraw/zinc/34/65/49/183346549.db2.gz GPYCOOKOJWBJDL-MWLCHTKSSA-N 2 2 207.277 0.858 20 0 BCADLP c1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)on1 ZINC000335913531 183346552 /nfs/dbraw/zinc/34/65/52/183346552.db2.gz GPYCOOKOJWBJDL-MWLCHTKSSA-N 2 2 207.277 0.858 20 0 BCADLP c1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)on1 ZINC000335565378 183347189 /nfs/dbraw/zinc/34/71/89/183347189.db2.gz JQNUZDAVBRXTNP-ZJUUUORDSA-N 2 2 207.277 0.716 20 0 BCADLP c1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)on1 ZINC000335565378 183347191 /nfs/dbraw/zinc/34/71/91/183347191.db2.gz JQNUZDAVBRXTNP-ZJUUUORDSA-N 2 2 207.277 0.716 20 0 BCADLP c1cc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cs1 ZINC000063147409 183350477 /nfs/dbraw/zinc/35/04/77/183350477.db2.gz JZDLALBHFMCXPJ-JTQLQIEISA-N 2 2 212.318 0.826 20 0 BCADLP CCC[NH2+]CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368491921 169258241 /nfs/dbraw/zinc/25/82/41/169258241.db2.gz LBOIYALRHXKLAF-QMMMGPOBSA-N 2 2 235.278 0.099 20 0 BCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199783 169241468 /nfs/dbraw/zinc/24/14/68/169241468.db2.gz SZZKHKNYSKHJFB-VXGBXAGGSA-N 2 2 241.379 0.785 20 0 BCADLP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199783 169241469 /nfs/dbraw/zinc/24/14/69/169241469.db2.gz SZZKHKNYSKHJFB-VXGBXAGGSA-N 2 2 241.379 0.785 20 0 BCADLP CCCNC(=O)[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000035010966 169246297 /nfs/dbraw/zinc/24/62/97/169246297.db2.gz CZJPKZMREGXEDH-NSHDSACASA-N 2 2 241.379 0.975 20 0 BCADLP CCC[NH2+][C@H](C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000296237776 169285195 /nfs/dbraw/zinc/28/51/95/169285195.db2.gz CLJDIJLBESLQND-WDEREUQCSA-N 2 2 238.335 0.776 20 0 BCADLP CCCS(=O)(=O)CC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000228658594 169329505 /nfs/dbraw/zinc/32/95/05/169329505.db2.gz GMLDPEWGLZKLPQ-QWRGUYRKSA-N 2 2 248.392 0.480 20 0 BCADLP CCCS(=O)(=O)CC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000228658594 169329506 /nfs/dbraw/zinc/32/95/06/169329506.db2.gz GMLDPEWGLZKLPQ-QWRGUYRKSA-N 2 2 248.392 0.480 20 0 BCADLP CCCS(=O)(=O)CC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000226419728 169330002 /nfs/dbraw/zinc/33/00/02/169330002.db2.gz BFYDNJWNZMFWFO-JTQLQIEISA-N 2 2 234.365 0.092 20 0 BCADLP CCCS(=O)(=O)CC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000226419728 169330003 /nfs/dbraw/zinc/33/00/03/169330003.db2.gz BFYDNJWNZMFWFO-JTQLQIEISA-N 2 2 234.365 0.092 20 0 BCADLP CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000378498642 169390834 /nfs/dbraw/zinc/39/08/34/169390834.db2.gz QFQUFRAEAIRMCD-NXEZZACHSA-N 2 2 236.319 0.442 20 0 BCADLP COCC[N@H+](C)CC[NH2+]C[C@@H]1CCSC1 ZINC000224418708 134347043 /nfs/dbraw/zinc/34/70/43/134347043.db2.gz GKTAXHDPJHFIQZ-NSHDSACASA-N 2 2 232.393 0.907 20 0 BCADLP COCC[N@@H+](C)CC[NH2+]C[C@@H]1CCSC1 ZINC000224418708 134347044 /nfs/dbraw/zinc/34/70/44/134347044.db2.gz GKTAXHDPJHFIQZ-NSHDSACASA-N 2 2 232.393 0.907 20 0 BCADLP CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000229203556 259638641 /nfs/dbraw/zinc/63/86/41/259638641.db2.gz WNELNRXFPQTCRA-UMSGYPCISA-N 2 2 242.363 0.911 20 0 BCADLP COC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000069721020 383841097 /nfs/dbraw/zinc/84/10/97/383841097.db2.gz JDINBIHTVQWRJD-SECBINFHSA-N 2 2 200.282 0.363 20 0 BCADLP COC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000069721020 383841102 /nfs/dbraw/zinc/84/11/02/383841102.db2.gz JDINBIHTVQWRJD-SECBINFHSA-N 2 2 200.282 0.363 20 0 BCADLP CCC[C@@](C)([NH3+])C(=O)N(C)Cc1[nH+]ccn1C ZINC000037823031 383866580 /nfs/dbraw/zinc/86/65/80/383866580.db2.gz LLMQKWDXDYDGLD-GFCCVEGCSA-N 2 2 238.335 0.896 20 0 BCADLP CO[C@@H]1C[NH+](C[C@@H]([NH3+])CC(C)C)C[C@H]1OC ZINC000300043110 383874187 /nfs/dbraw/zinc/87/41/87/383874187.db2.gz UUNVNUQIUBYUKI-QJPTWQEYSA-N 2 2 230.352 0.705 20 0 BCADLP Cc1cccc2[nH+]c(CCNC(=O)CC[NH3+])cn21 ZINC000647098491 383829948 /nfs/dbraw/zinc/82/99/48/383829948.db2.gz QRRVZZGMTFAESQ-UHFFFAOYSA-N 2 2 246.314 0.650 20 0 BCADLP COC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000069627113 383833101 /nfs/dbraw/zinc/83/31/01/383833101.db2.gz XRQCKMKAKUPBFM-RKDXNWHRSA-N 2 2 200.282 0.219 20 0 BCADLP COC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000069627113 383833107 /nfs/dbraw/zinc/83/31/07/383833107.db2.gz XRQCKMKAKUPBFM-RKDXNWHRSA-N 2 2 200.282 0.219 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000069626995 383834793 /nfs/dbraw/zinc/83/47/93/383834793.db2.gz VGUNYJDQKMCDLX-GUBZILKMSA-N 2 2 214.309 0.607 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000069626995 383834798 /nfs/dbraw/zinc/83/47/98/383834798.db2.gz VGUNYJDQKMCDLX-GUBZILKMSA-N 2 2 214.309 0.607 20 0 BCADLP CC(C)[C@H]([NH3+])C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000036999353 383927060 /nfs/dbraw/zinc/92/70/60/383927060.db2.gz IGUUPQDLYKNQCR-ZJUUUORDSA-N 2 2 224.308 0.371 20 0 BCADLP CC1(C)COC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000313103148 383883282 /nfs/dbraw/zinc/88/32/82/383883282.db2.gz IDJUKFUGXAEKEC-JTQLQIEISA-N 2 2 209.293 0.898 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)CO1 ZINC000647214059 383984457 /nfs/dbraw/zinc/98/44/57/383984457.db2.gz LROOUJWLSKYZBS-AGIUHOORSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)CO1 ZINC000647214059 383984459 /nfs/dbraw/zinc/98/44/59/383984459.db2.gz LROOUJWLSKYZBS-AGIUHOORSA-N 2 2 242.363 0.600 20 0 BCADLP OCC[NH+]1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000089223926 383950808 /nfs/dbraw/zinc/95/08/08/383950808.db2.gz SLEKLAZCAGUWAW-UHFFFAOYSA-N 2 2 247.302 0.072 20 0 BCADLP COc1ncncc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000647212805 383956705 /nfs/dbraw/zinc/95/67/05/383956705.db2.gz YQIFPMZRAXRVEX-SNVBAGLBSA-N 2 2 238.335 0.773 20 0 BCADLP COc1ncncc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000647212804 383956974 /nfs/dbraw/zinc/95/69/74/383956974.db2.gz YQIFPMZRAXRVEX-JTQLQIEISA-N 2 2 238.335 0.773 20 0 BCADLP CC[NH+](CC)CC(=O)NCc1[nH]cc[nH+]1 ZINC000114337907 384032114 /nfs/dbraw/zinc/03/21/14/384032114.db2.gz BELUXMXXKAWTQH-UHFFFAOYSA-N 2 2 210.281 0.368 20 0 BCADLP C[C@@H](C[NH+](C)C)NC(=O)NCc1c[nH+]cn1C ZINC000291166600 384086991 /nfs/dbraw/zinc/08/69/91/384086991.db2.gz GXPZLURWSOTXLW-VIFPVBQESA-N 2 2 239.323 0.169 20 0 BCADLP C[C@@H]([NH3+])CCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000069839342 384066242 /nfs/dbraw/zinc/06/62/42/384066242.db2.gz JMTVNTUTYACUBM-ZJUUUORDSA-N 2 2 224.308 0.515 20 0 BCADLP CC[N@H+](C)CCNC(=O)NCc1c[nH+]cn1C ZINC000291182762 384114421 /nfs/dbraw/zinc/11/44/21/384114421.db2.gz HLNHCHHWXZYMII-UHFFFAOYSA-N 2 2 239.323 0.171 20 0 BCADLP CC[N@@H+](C)CCNC(=O)NCc1c[nH+]cn1C ZINC000291182762 384114429 /nfs/dbraw/zinc/11/44/29/384114429.db2.gz HLNHCHHWXZYMII-UHFFFAOYSA-N 2 2 239.323 0.171 20 0 BCADLP CC(C)[C@H]([NH3+])c1cn(CCn2cc[nH+]c2)nn1 ZINC000302253183 384117615 /nfs/dbraw/zinc/11/76/15/384117615.db2.gz AMRFTBZLLHSWAK-NSHDSACASA-N 2 2 234.307 0.831 20 0 BCADLP COC[C@](C)(O)CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000449386143 384135487 /nfs/dbraw/zinc/13/54/87/384135487.db2.gz SPRLXDRJJPUMCM-SDDRHHMPSA-N 2 2 230.352 0.314 20 0 BCADLP COC[C@](C)(O)CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000449386143 384135493 /nfs/dbraw/zinc/13/54/93/384135493.db2.gz SPRLXDRJJPUMCM-SDDRHHMPSA-N 2 2 230.352 0.314 20 0 BCADLP [NH3+][C@H]1CCC[C@@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000070646655 384126394 /nfs/dbraw/zinc/12/63/94/384126394.db2.gz GHMFVZCMLFVQLW-BDAKNGLRSA-N 2 2 222.292 0.543 20 0 BCADLP [NH3+][C@@H]1CCC[C@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000070646658 384126988 /nfs/dbraw/zinc/12/69/88/384126988.db2.gz GHMFVZCMLFVQLW-DTWKUNHWSA-N 2 2 222.292 0.543 20 0 BCADLP [NH3+][C@H]1CCC[C@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000070646656 384128619 /nfs/dbraw/zinc/12/86/19/384128619.db2.gz GHMFVZCMLFVQLW-IUCAKERBSA-N 2 2 222.292 0.543 20 0 BCADLP C[C@]1(C(=O)NCc2[nH]cc[nH+]2)CCC[NH2+]C1 ZINC000070646733 384128792 /nfs/dbraw/zinc/12/87/92/384128792.db2.gz KJJTUEFSFARWTE-NSHDSACASA-N 2 2 222.292 0.416 20 0 BCADLP COC1CC([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000449392095 384157431 /nfs/dbraw/zinc/15/74/31/384157431.db2.gz IVILNGBVGZQFPX-CPCZMJQVSA-N 2 2 242.363 0.600 20 0 BCADLP COC1CC([NH2+]C[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000449392095 384157433 /nfs/dbraw/zinc/15/74/33/384157433.db2.gz IVILNGBVGZQFPX-CPCZMJQVSA-N 2 2 242.363 0.600 20 0 BCADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCOC1 ZINC000449395771 384167276 /nfs/dbraw/zinc/16/72/76/384167276.db2.gz QVAOCTOPAMUJOD-RYUDHWBXSA-N 2 2 228.336 0.212 20 0 BCADLP OCC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCOC1 ZINC000449395771 384167280 /nfs/dbraw/zinc/16/72/80/384167280.db2.gz QVAOCTOPAMUJOD-RYUDHWBXSA-N 2 2 228.336 0.212 20 0 BCADLP C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449395657 384169265 /nfs/dbraw/zinc/16/92/65/384169265.db2.gz JNCNXYGUNKSAIW-YNEHKIRRSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449395657 384169266 /nfs/dbraw/zinc/16/92/66/384169266.db2.gz JNCNXYGUNKSAIW-YNEHKIRRSA-N 2 2 242.363 0.600 20 0 BCADLP C[N@H+](CCO)Cc1cccc2[nH+]ccn21 ZINC000132473831 384188658 /nfs/dbraw/zinc/18/86/58/384188658.db2.gz IDWYBOFBTHLZAA-UHFFFAOYSA-N 2 2 205.261 0.758 20 0 BCADLP C[N@@H+](CCO)Cc1cccc2[nH+]ccn21 ZINC000132473831 384188660 /nfs/dbraw/zinc/18/86/60/384188660.db2.gz IDWYBOFBTHLZAA-UHFFFAOYSA-N 2 2 205.261 0.758 20 0 BCADLP CCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221301688 384210971 /nfs/dbraw/zinc/21/09/71/384210971.db2.gz LXTXLROFABQGEM-ZJUUUORDSA-N 2 2 214.309 0.479 20 0 BCADLP CCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221301688 384210978 /nfs/dbraw/zinc/21/09/78/384210978.db2.gz LXTXLROFABQGEM-ZJUUUORDSA-N 2 2 214.309 0.479 20 0 BCADLP CC(C)[NH2+]C1CC[NH+](CCOCCO)CC1 ZINC000132911800 384214346 /nfs/dbraw/zinc/21/43/46/384214346.db2.gz VQYDBXNGQXAYNI-UHFFFAOYSA-N 2 2 230.352 0.458 20 0 BCADLP [NH3+][C@@H]1CCN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000132225706 384223526 /nfs/dbraw/zinc/22/35/26/384223526.db2.gz QGAXGLYVCSYSHE-SNVBAGLBSA-N 2 2 244.298 0.436 20 0 BCADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cncn1C ZINC000082394791 384227246 /nfs/dbraw/zinc/22/72/46/384227246.db2.gz FSDZFRHHSRBCCR-JTQLQIEISA-N 2 2 210.325 0.850 20 0 BCADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cncn1C ZINC000082394793 384227414 /nfs/dbraw/zinc/22/74/14/384227414.db2.gz FSDZFRHHSRBCCR-SNVBAGLBSA-N 2 2 210.325 0.850 20 0 BCADLP Cc1noc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000069626939 384246761 /nfs/dbraw/zinc/24/67/61/384246761.db2.gz VGOVBHPIGXAUAA-SCZZXKLOSA-N 2 2 224.308 0.937 20 0 BCADLP Cc1noc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000069626939 384246765 /nfs/dbraw/zinc/24/67/65/384246765.db2.gz VGOVBHPIGXAUAA-SCZZXKLOSA-N 2 2 224.308 0.937 20 0 BCADLP CC[C@@](C)(C[NH2+]C[C@@H]1C[N@H+](C)CCN1C)OC ZINC000319536956 384254192 /nfs/dbraw/zinc/25/41/92/384254192.db2.gz BVLYMUHRFCJFOA-OLZOCXBDSA-N 2 2 243.395 0.637 20 0 BCADLP CC[C@@](C)(C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C)OC ZINC000319536956 384254199 /nfs/dbraw/zinc/25/41/99/384254199.db2.gz BVLYMUHRFCJFOA-OLZOCXBDSA-N 2 2 243.395 0.637 20 0 BCADLP CC(C)[C@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000082668963 384256409 /nfs/dbraw/zinc/25/64/09/384256409.db2.gz LROYDUMCJJSZRO-RYUDHWBXSA-N 2 2 213.369 0.866 20 0 BCADLP CC(C)[C@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000082668963 384256414 /nfs/dbraw/zinc/25/64/14/384256414.db2.gz LROYDUMCJJSZRO-RYUDHWBXSA-N 2 2 213.369 0.866 20 0 BCADLP CC[C@@H](C)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000082668988 384256921 /nfs/dbraw/zinc/25/69/21/384256921.db2.gz ZVLICUTZGAAFKL-NEPJUHHUSA-N 2 2 213.369 0.868 20 0 BCADLP CC[C@@H](C)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000082668988 384256922 /nfs/dbraw/zinc/25/69/22/384256922.db2.gz ZVLICUTZGAAFKL-NEPJUHHUSA-N 2 2 213.369 0.868 20 0 BCADLP C[NH+](C)[C@@H](CNC(N)=[NH2+])c1ccccc1 ZINC000073756953 384263837 /nfs/dbraw/zinc/26/38/37/384263837.db2.gz NRLRAELQADKKDU-JTQLQIEISA-N 2 2 206.293 0.772 20 0 BCADLP COC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C(C)C ZINC000083397987 384294639 /nfs/dbraw/zinc/29/46/39/384294639.db2.gz CXKSPUVQIQEAPO-MNOVXSKESA-N 2 2 200.326 0.999 20 0 BCADLP C[N@H+](CCC(F)(F)F)C[C@@H](O)C[NH3+] ZINC000083878996 384337799 /nfs/dbraw/zinc/33/77/99/384337799.db2.gz DOQHAUUVECRIQP-LURJTMIESA-N 2 2 200.204 0.190 20 0 BCADLP C[N@@H+](CCC(F)(F)F)C[C@@H](O)C[NH3+] ZINC000083878996 384337804 /nfs/dbraw/zinc/33/78/04/384337804.db2.gz DOQHAUUVECRIQP-LURJTMIESA-N 2 2 200.204 0.190 20 0 BCADLP C[C@H]1C[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)c2[nH+]ccn21 ZINC000584243347 384327809 /nfs/dbraw/zinc/32/78/09/384327809.db2.gz XOFFKFCZSAMEGB-LPEHRKFASA-N 2 2 249.318 0.550 20 0 BCADLP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)nn1C ZINC000647508346 384328807 /nfs/dbraw/zinc/32/88/07/384328807.db2.gz LESAPGVXITUTLZ-WDEREUQCSA-N 2 2 222.336 0.898 20 0 BCADLP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)nn1C ZINC000647508346 384328812 /nfs/dbraw/zinc/32/88/12/384328812.db2.gz LESAPGVXITUTLZ-WDEREUQCSA-N 2 2 222.336 0.898 20 0 BCADLP Cn1c[nH+]cc1CC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000405481090 384379290 /nfs/dbraw/zinc/37/92/90/384379290.db2.gz NBVUVACIIJHTDN-QWRGUYRKSA-N 3 2 222.336 0.678 20 0 BCADLP Cn1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)n1 ZINC000560966913 384430595 /nfs/dbraw/zinc/43/05/95/384430595.db2.gz YBZLGHPXGJYWBC-SNVBAGLBSA-N 2 2 210.325 0.883 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136207753 384485260 /nfs/dbraw/zinc/48/52/60/384485260.db2.gz IKBUGRWSBCOWRQ-LBPRGKRZSA-N 2 2 236.319 0.569 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCc1cnn(C)c1 ZINC000385210715 384465862 /nfs/dbraw/zinc/46/58/62/384465862.db2.gz WVXMULHIPUWVJB-KOLCDFICSA-N 2 2 208.309 0.384 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCc1cnn(C)c1 ZINC000385210715 384465870 /nfs/dbraw/zinc/46/58/70/384465870.db2.gz WVXMULHIPUWVJB-KOLCDFICSA-N 2 2 208.309 0.384 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c[nH+]1 ZINC000335013221 384477447 /nfs/dbraw/zinc/47/74/47/384477447.db2.gz APFSWGNIXCQTTE-BDAKNGLRSA-N 2 2 222.292 0.718 20 0 BCADLP [NH3+][C@H](CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000150312341 384495052 /nfs/dbraw/zinc/49/50/52/384495052.db2.gz OAGQWYPCFSNUHM-SNVBAGLBSA-N 2 2 222.292 0.127 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000097093295 384497300 /nfs/dbraw/zinc/49/73/00/384497300.db2.gz DPDOFVATAXKGGA-VWYCJHECSA-N 2 2 236.319 0.515 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150784418 384508072 /nfs/dbraw/zinc/50/80/72/384508072.db2.gz PVGBRRRRBOZFOL-NEPJUHHUSA-N 2 2 239.363 0.668 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150784418 384508078 /nfs/dbraw/zinc/50/80/78/384508078.db2.gz PVGBRRRRBOZFOL-NEPJUHHUSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@@H]1CN(Cc2c[nH+]cn2C)[C@@H](C)C[NH2+]1 ZINC000085170911 384509330 /nfs/dbraw/zinc/50/93/30/384509330.db2.gz OKUDEZOGTGJWIE-ZJUUUORDSA-N 2 2 208.309 0.602 20 0 BCADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)C(=O)N(C)C ZINC000037249570 384489842 /nfs/dbraw/zinc/48/98/42/384489842.db2.gz FXCFNHBPSWDFLT-VIFPVBQESA-N 2 2 213.325 0.147 20 0 BCADLP [NH3+][C@@H](CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000150312112 384494833 /nfs/dbraw/zinc/49/48/33/384494833.db2.gz OAGQWYPCFSNUHM-JTQLQIEISA-N 2 2 222.292 0.127 20 0 BCADLP C[N@H+](C[C@H]1CCS(=O)(=O)C1)CC(C)(C)C[NH3+] ZINC000569605613 384525369 /nfs/dbraw/zinc/52/53/69/384525369.db2.gz PPZMOVOKDVLSKZ-SNVBAGLBSA-N 2 2 248.392 0.338 20 0 BCADLP C[N@@H+](C[C@H]1CCS(=O)(=O)C1)CC(C)(C)C[NH3+] ZINC000569605613 384525373 /nfs/dbraw/zinc/52/53/73/384525373.db2.gz PPZMOVOKDVLSKZ-SNVBAGLBSA-N 2 2 248.392 0.338 20 0 BCADLP C[C@H](O)C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000161792491 384528039 /nfs/dbraw/zinc/52/80/39/384528039.db2.gz PQLKOGDXIWRUIJ-NSHDSACASA-N 2 2 223.320 0.976 20 0 BCADLP COC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397343501 384533839 /nfs/dbraw/zinc/53/38/39/384533839.db2.gz WVVZAQYKXPNVKZ-AEJSXWLSSA-N 2 2 214.309 0.465 20 0 BCADLP COC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397343501 384533842 /nfs/dbraw/zinc/53/38/42/384533842.db2.gz WVVZAQYKXPNVKZ-AEJSXWLSSA-N 2 2 214.309 0.465 20 0 BCADLP CNC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000151142652 384541988 /nfs/dbraw/zinc/54/19/88/384541988.db2.gz KKFYNZNQZAPXCG-GFCCVEGCSA-N 2 2 239.363 0.683 20 0 BCADLP CNC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000151142652 384541990 /nfs/dbraw/zinc/54/19/90/384541990.db2.gz KKFYNZNQZAPXCG-GFCCVEGCSA-N 2 2 239.363 0.683 20 0 BCADLP O=C1[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CCN1C1CC1 ZINC000428033329 384560580 /nfs/dbraw/zinc/56/05/80/384560580.db2.gz QTAJGOVRVVCXQC-RAIGVLPGSA-N 2 2 249.358 0.434 20 0 BCADLP O=C1[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CCN1C1CC1 ZINC000428033329 384560590 /nfs/dbraw/zinc/56/05/90/384560590.db2.gz QTAJGOVRVVCXQC-RAIGVLPGSA-N 2 2 249.358 0.434 20 0 BCADLP Cc1nc(N2CC[NH+](CC3CC3)CC2)nc(N)[nH+]1 ZINC000306119137 384573188 /nfs/dbraw/zinc/57/31/88/384573188.db2.gz YMCSFVYGSVDNJX-UHFFFAOYSA-N 2 2 248.334 0.294 20 0 BCADLP CC(C)[C@H](CO)[NH2+]CCCn1cc[nH+]c1 ZINC000086124015 384603428 /nfs/dbraw/zinc/60/34/28/384603428.db2.gz AYTLKANNIXBGMV-NSHDSACASA-N 2 2 211.309 0.880 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2nnc3n2CCCC3)C1 ZINC000568247995 384613679 /nfs/dbraw/zinc/61/36/79/384613679.db2.gz DBURGOYMEGCUSA-GHMZBOCLSA-N 2 2 249.362 0.974 20 0 BCADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CCOC1)CC2 ZINC000336747138 384618127 /nfs/dbraw/zinc/61/81/27/384618127.db2.gz CDPGHQPGUZPFLN-ZJUUUORDSA-N 2 2 207.277 0.576 20 0 BCADLP C[NH+]1CCC([NH2+]Cc2ccc(CO)o2)CC1 ZINC000081554143 384622491 /nfs/dbraw/zinc/62/24/91/384622491.db2.gz YHNGBNKFWFZJRF-UHFFFAOYSA-N 2 2 224.304 0.956 20 0 BCADLP CNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400717709 384625378 /nfs/dbraw/zinc/62/53/78/384625378.db2.gz NQHKHXLOIOCAIE-SRVKXCTJSA-N 2 2 241.379 0.877 20 0 BCADLP CNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400717713 384625625 /nfs/dbraw/zinc/62/56/25/384625625.db2.gz NQHKHXLOIOCAIE-UTUOFQBUSA-N 2 2 241.379 0.877 20 0 BCADLP C[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000036870198 384627681 /nfs/dbraw/zinc/62/76/81/384627681.db2.gz AWJZSWZWQACVSW-GHMZBOCLSA-N 2 2 246.376 0.105 20 0 BCADLP C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000036870198 384627688 /nfs/dbraw/zinc/62/76/88/384627688.db2.gz AWJZSWZWQACVSW-GHMZBOCLSA-N 2 2 246.376 0.105 20 0 BCADLP C[C@@]1(C[N@@H+]2CCO[C@@H](CF)C2)CC[NH2+]C1 ZINC000334851307 384593079 /nfs/dbraw/zinc/59/30/79/384593079.db2.gz BQWBWXGVKMUQDV-WDEREUQCSA-N 2 2 216.300 0.656 20 0 BCADLP C[C@@]1(C[N@H+]2CCO[C@@H](CF)C2)CC[NH2+]C1 ZINC000334851307 384593087 /nfs/dbraw/zinc/59/30/87/384593087.db2.gz BQWBWXGVKMUQDV-WDEREUQCSA-N 2 2 216.300 0.656 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000358077509 384643150 /nfs/dbraw/zinc/64/31/50/384643150.db2.gz BRGQAMPNKJOZQW-WZRBSPASSA-N 2 2 249.362 0.739 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000358077509 384643159 /nfs/dbraw/zinc/64/31/59/384643159.db2.gz BRGQAMPNKJOZQW-WZRBSPASSA-N 2 2 249.362 0.739 20 0 BCADLP [NH3+]CCOCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000357076166 384675365 /nfs/dbraw/zinc/67/53/65/384675365.db2.gz IAVGGRJOOOELTO-UHFFFAOYSA-N 3 2 241.379 0.522 20 0 BCADLP C[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000082255877 384653938 /nfs/dbraw/zinc/65/39/38/384653938.db2.gz UAEQNJVTOVIREE-LURJTMIESA-N 2 2 240.332 0.417 20 0 BCADLP C[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000082255877 384653940 /nfs/dbraw/zinc/65/39/40/384653940.db2.gz UAEQNJVTOVIREE-LURJTMIESA-N 2 2 240.332 0.417 20 0 BCADLP COC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000335913177 384677445 /nfs/dbraw/zinc/67/74/45/384677445.db2.gz LUXOCCXWWAHKNI-KOLCDFICSA-N 2 2 212.293 0.233 20 0 BCADLP COC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000335913177 384677447 /nfs/dbraw/zinc/67/74/47/384677447.db2.gz LUXOCCXWWAHKNI-KOLCDFICSA-N 2 2 212.293 0.233 20 0 BCADLP Cc1ccncc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000162752581 384680747 /nfs/dbraw/zinc/68/07/47/384680747.db2.gz WVELJWINEGUREE-AWEZNQCLSA-N 2 2 249.358 0.936 20 0 BCADLP CN(C)c1cc[nH+]c(NCCn2cc[nH+]c2)n1 ZINC000302121047 384711583 /nfs/dbraw/zinc/71/15/83/384711583.db2.gz GCAUOUHEMUUPCG-UHFFFAOYSA-N 2 2 232.291 0.851 20 0 BCADLP CC[C@H]([NH2+]CC[NH+](C)C)[C@H]1CCOC1 ZINC000308509770 384774690 /nfs/dbraw/zinc/77/46/90/384774690.db2.gz BLXSDKJLDMGYTG-QWRGUYRKSA-N 2 2 200.326 0.953 20 0 BCADLP CC[C@H]([NH2+]CC[NH+](C)C)[C@@H]1CCOC1 ZINC000308509769 384774835 /nfs/dbraw/zinc/77/48/35/384774835.db2.gz BLXSDKJLDMGYTG-MNOVXSKESA-N 2 2 200.326 0.953 20 0 BCADLP COC[C@H](C)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000308513688 384777932 /nfs/dbraw/zinc/77/79/32/384777932.db2.gz LTOHJJHVQXVWAF-VWYCJHECSA-N 2 2 200.326 0.809 20 0 BCADLP COC[C@H](C)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000308513688 384777938 /nfs/dbraw/zinc/77/79/38/384777938.db2.gz LTOHJJHVQXVWAF-VWYCJHECSA-N 2 2 200.326 0.809 20 0 BCADLP Cc1c[nH+]c(CNC2CC[NH+](C)CC2)n1C ZINC000309946263 384731450 /nfs/dbraw/zinc/73/14/50/384731450.db2.gz DMILRAYOYKBDRZ-UHFFFAOYSA-N 2 2 222.336 0.912 20 0 BCADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC000647546577 384732459 /nfs/dbraw/zinc/73/24/59/384732459.db2.gz PYRSJFSICPXPJC-TUAOUCFPSA-N 3 2 211.353 0.574 20 0 BCADLP C[C@H]([NH2+][C@H]1C[NH2+]C[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000647546728 384732569 /nfs/dbraw/zinc/73/25/69/384732569.db2.gz YBECZBSTBQTWPA-WUHRBBMRSA-N 3 2 225.380 0.962 20 0 BCADLP [NH3+]CC(F)(F)CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647546933 384734157 /nfs/dbraw/zinc/73/41/57/384734157.db2.gz HSYGLADDCXFRBI-IVZWLZJFSA-N 2 2 233.306 0.558 20 0 BCADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000647547186 384736593 /nfs/dbraw/zinc/73/65/93/384736593.db2.gz QEHKQZYMGZCYFP-SRVKXCTJSA-N 3 2 211.353 0.716 20 0 BCADLP CC(=O)N1CC([NH2+]Cc2c[nH+]c(C)n2C)C1 ZINC000568272581 384739909 /nfs/dbraw/zinc/73/99/09/384739909.db2.gz YQWBMXJDHZRPGJ-UHFFFAOYSA-N 2 2 222.292 0.049 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647549745 384748514 /nfs/dbraw/zinc/74/85/14/384748514.db2.gz OUBAXFKOCVEHIR-HBNTYKKESA-N 2 2 223.324 0.254 20 0 BCADLP C1[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C12CC[NH2+]CC2 ZINC000647547874 384749799 /nfs/dbraw/zinc/74/97/99/384749799.db2.gz JURPRBZPELXCIE-MNOVXSKESA-N 3 2 209.337 0.470 20 0 BCADLP C[C@]1(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CC[NH2+]C1 ZINC000647548196 384751636 /nfs/dbraw/zinc/75/16/36/384751636.db2.gz YQJGCUYPSGGGCX-DCAQKATOSA-N 3 2 215.316 0.276 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCCO1 ZINC000647551861 384754781 /nfs/dbraw/zinc/75/47/81/384754781.db2.gz RXJIAKNXNZYHLK-RYUDHWBXSA-N 3 2 227.352 0.036 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCCO1 ZINC000647551861 384754786 /nfs/dbraw/zinc/75/47/86/384754786.db2.gz RXJIAKNXNZYHLK-RYUDHWBXSA-N 3 2 227.352 0.036 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000126952851 384826026 /nfs/dbraw/zinc/82/60/26/384826026.db2.gz XJDJBUXBMDRNEB-CIUDSAMLSA-N 2 2 200.282 0.217 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000126952851 384826032 /nfs/dbraw/zinc/82/60/32/384826032.db2.gz XJDJBUXBMDRNEB-CIUDSAMLSA-N 2 2 200.282 0.217 20 0 BCADLP C[N@@H+](Cc1ccccc1F)C[C@H](O)C[NH3+] ZINC000042436743 384793690 /nfs/dbraw/zinc/79/36/90/384793690.db2.gz SGMLYLNZHZAMMP-SNVBAGLBSA-N 2 2 212.268 0.577 20 0 BCADLP C[N@H+](Cc1ccccc1F)C[C@H](O)C[NH3+] ZINC000042436743 384793700 /nfs/dbraw/zinc/79/37/00/384793700.db2.gz SGMLYLNZHZAMMP-SNVBAGLBSA-N 2 2 212.268 0.577 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]C[C@H]1C[C@H]1C ZINC000308626046 384876243 /nfs/dbraw/zinc/87/62/43/384876243.db2.gz WINFHVFBQNTGQD-GHMZBOCLSA-N 2 2 200.326 0.546 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]C[C@H]1C[C@H]1C ZINC000308626046 384876247 /nfs/dbraw/zinc/87/62/47/384876247.db2.gz WINFHVFBQNTGQD-GHMZBOCLSA-N 2 2 200.326 0.546 20 0 BCADLP C[C@H](O)CCC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000308628755 384878531 /nfs/dbraw/zinc/87/85/31/384878531.db2.gz YBPQMHFUVCMBIV-GARJFASQSA-N 2 2 200.326 0.687 20 0 BCADLP C[C@H](O)CCC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000308628755 384878535 /nfs/dbraw/zinc/87/85/35/384878535.db2.gz YBPQMHFUVCMBIV-GARJFASQSA-N 2 2 200.326 0.687 20 0 BCADLP CCC[C@H](O)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000308630911 384878969 /nfs/dbraw/zinc/87/89/69/384878969.db2.gz YVVRQMKAFIHPPU-VWYCJHECSA-N 2 2 200.326 0.687 20 0 BCADLP CCC[C@H](O)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000308630911 384878974 /nfs/dbraw/zinc/87/89/74/384878974.db2.gz YVVRQMKAFIHPPU-VWYCJHECSA-N 2 2 200.326 0.687 20 0 BCADLP CC(C)=CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000557204690 384878933 /nfs/dbraw/zinc/87/89/33/384878933.db2.gz CUUFPDBITMAMSJ-LLVKDONJSA-N 2 2 240.351 0.237 20 0 BCADLP CCC[C@H](O)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000308630909 384879188 /nfs/dbraw/zinc/87/91/88/384879188.db2.gz YVVRQMKAFIHPPU-GARJFASQSA-N 2 2 200.326 0.687 20 0 BCADLP CCC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000308630909 384879192 /nfs/dbraw/zinc/87/91/92/384879192.db2.gz YVVRQMKAFIHPPU-GARJFASQSA-N 2 2 200.326 0.687 20 0 BCADLP CCCC[C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000305956486 384881071 /nfs/dbraw/zinc/88/10/71/384881071.db2.gz DRMSBEHBUBSLAQ-RYUDHWBXSA-N 2 2 241.379 0.914 20 0 BCADLP C[C@@H]([NH2+]CC[NH+](C)C)[C@H]1CCCOC1 ZINC000308637945 384882258 /nfs/dbraw/zinc/88/22/58/384882258.db2.gz CXSBBCGHSXPXLS-MNOVXSKESA-N 2 2 200.326 0.953 20 0 BCADLP Cn1ccc(C[NH2+]C2CC[NH+](C)CC2)n1 ZINC000112355515 384856770 /nfs/dbraw/zinc/85/67/70/384856770.db2.gz DKJUCPGXTHRQCP-UHFFFAOYSA-N 2 2 208.309 0.604 20 0 BCADLP CN1CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000644548011 384949761 /nfs/dbraw/zinc/94/97/61/384949761.db2.gz KIQWOZGGVRVEMF-DGCLKSJQSA-N 2 2 241.379 0.125 20 0 BCADLP CN1CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000644548011 384949766 /nfs/dbraw/zinc/94/97/66/384949766.db2.gz KIQWOZGGVRVEMF-DGCLKSJQSA-N 2 2 241.379 0.125 20 0 BCADLP CC(C)OCC[C@@H](O)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000644547783 384950437 /nfs/dbraw/zinc/95/04/37/384950437.db2.gz SRBXTLWHUXNEKY-QWHCGFSZSA-N 2 2 244.379 0.846 20 0 BCADLP CC(C)OCC[C@@H](O)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000644547783 384950443 /nfs/dbraw/zinc/95/04/43/384950443.db2.gz SRBXTLWHUXNEKY-QWHCGFSZSA-N 2 2 244.379 0.846 20 0 BCADLP CC(C)OCC[C@@H](O)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000644547781 384950567 /nfs/dbraw/zinc/95/05/67/384950567.db2.gz SRBXTLWHUXNEKY-CHWSQXEVSA-N 2 2 244.379 0.846 20 0 BCADLP CC(C)OCC[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000644547781 384950578 /nfs/dbraw/zinc/95/05/78/384950578.db2.gz SRBXTLWHUXNEKY-CHWSQXEVSA-N 2 2 244.379 0.846 20 0 BCADLP CC(C)COC[C@@H](O)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000644548165 384950725 /nfs/dbraw/zinc/95/07/25/384950725.db2.gz RIEDWDSICRVIKB-STQMWFEESA-N 2 2 244.379 0.704 20 0 BCADLP CC(C)COC[C@@H](O)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000644548165 384950729 /nfs/dbraw/zinc/95/07/29/384950729.db2.gz RIEDWDSICRVIKB-STQMWFEESA-N 2 2 244.379 0.704 20 0 BCADLP CC(C)(O)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000644556279 384958023 /nfs/dbraw/zinc/95/80/23/384958023.db2.gz BCFWRKBADMUUNU-NSHDSACASA-N 2 2 212.337 0.831 20 0 BCADLP CC(C)(O)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000644556279 384958024 /nfs/dbraw/zinc/95/80/24/384958024.db2.gz BCFWRKBADMUUNU-NSHDSACASA-N 2 2 212.337 0.831 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407319838 384900633 /nfs/dbraw/zinc/90/06/33/384900633.db2.gz VRZGOCCBIRCROR-MNOVXSKESA-N 2 2 248.330 0.899 20 0 BCADLP COCC[N@H+](C)CC[NH2+]C[C@H](C)COC ZINC000153367175 384919051 /nfs/dbraw/zinc/91/90/51/384919051.db2.gz XAWKOMYBTWHPPM-NSHDSACASA-N 2 2 218.341 0.437 20 0 BCADLP COCC[N@@H+](C)CC[NH2+]C[C@H](C)COC ZINC000153367175 384919060 /nfs/dbraw/zinc/91/90/60/384919060.db2.gz XAWKOMYBTWHPPM-NSHDSACASA-N 2 2 218.341 0.437 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000257744929 384924280 /nfs/dbraw/zinc/92/42/80/384924280.db2.gz DQVWIRSTXWFLEH-VXGBXAGGSA-N 2 2 227.352 0.130 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000257744929 384924288 /nfs/dbraw/zinc/92/42/88/384924288.db2.gz DQVWIRSTXWFLEH-VXGBXAGGSA-N 2 2 227.352 0.130 20 0 BCADLP CN(C)c1ccc(CNC(=O)CC[NH3+])c[nH+]1 ZINC000261586285 384932517 /nfs/dbraw/zinc/93/25/17/384932517.db2.gz QYYAGDKYSXMLLV-UHFFFAOYSA-N 2 2 222.292 0.113 20 0 BCADLP C[C@H](CS(C)(=O)=O)[NH2+]CCCn1cc[nH+]c1 ZINC000081899267 384941679 /nfs/dbraw/zinc/94/16/79/384941679.db2.gz WKCYIMMMOBINPU-SNVBAGLBSA-N 2 2 245.348 0.296 20 0 BCADLP COc1ccccc1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000258886832 384943827 /nfs/dbraw/zinc/94/38/27/384943827.db2.gz JQDOUWIXTRAPHI-GFCCVEGCSA-N 2 2 236.315 0.773 20 0 BCADLP [NH3+][C@@H]1CC[N@H+](CCC(=O)Nc2cccnc2)C1 ZINC000358320824 384966711 /nfs/dbraw/zinc/96/67/11/384966711.db2.gz MCZRWIMVUHCNMI-SNVBAGLBSA-N 2 2 234.303 0.443 20 0 BCADLP [NH3+][C@@H]1CC[N@@H+](CCC(=O)Nc2cccnc2)C1 ZINC000358320824 384966717 /nfs/dbraw/zinc/96/67/17/384966717.db2.gz MCZRWIMVUHCNMI-SNVBAGLBSA-N 2 2 234.303 0.443 20 0 BCADLP CC[C@@H](O)C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000644583382 384982920 /nfs/dbraw/zinc/98/29/20/384982920.db2.gz ZKWFSTQAYLHTNY-GHMZBOCLSA-N 2 2 232.393 0.784 20 0 BCADLP C[C@@H](O)C[NH2+]Cc1ccn2cc[nH+]c2c1 ZINC000644598343 385002527 /nfs/dbraw/zinc/00/25/27/385002527.db2.gz MYGHHQULIRGAKQ-SECBINFHSA-N 2 2 205.261 0.805 20 0 BCADLP CC[C@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000644625730 385020377 /nfs/dbraw/zinc/02/03/77/385020377.db2.gz NPUZOLGMJPBRSE-ZJUUUORDSA-N 2 2 209.293 0.558 20 0 BCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000646917063 385057937 /nfs/dbraw/zinc/05/79/37/385057937.db2.gz WKHLLVBLRHAPJR-PWSUYJOCSA-N 2 2 248.330 0.125 20 0 BCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000646917063 385057946 /nfs/dbraw/zinc/05/79/46/385057946.db2.gz WKHLLVBLRHAPJR-PWSUYJOCSA-N 2 2 248.330 0.125 20 0 BCADLP CCN(C)C(=O)[C@@H](C)[NH2+]Cc1c[nH+]cn1C ZINC000188503389 385063499 /nfs/dbraw/zinc/06/34/99/385063499.db2.gz QQTBONHISYPIDV-SECBINFHSA-N 2 2 224.308 0.377 20 0 BCADLP Cc1cnc([C@H](C)[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000644659387 385069896 /nfs/dbraw/zinc/06/98/96/385069896.db2.gz JMIVZJWHWJEGGI-SDDRHHMPSA-N 2 2 232.331 0.997 20 0 BCADLP Cc1cnc([C@H](C)[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000644659387 385069904 /nfs/dbraw/zinc/06/99/04/385069904.db2.gz JMIVZJWHWJEGGI-SDDRHHMPSA-N 2 2 232.331 0.997 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000646933979 385074886 /nfs/dbraw/zinc/07/48/86/385074886.db2.gz LWEGLRBADLXNCY-JQWIXIFHSA-N 2 2 248.330 0.423 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000646933979 385074892 /nfs/dbraw/zinc/07/48/92/385074892.db2.gz LWEGLRBADLXNCY-JQWIXIFHSA-N 2 2 248.330 0.423 20 0 BCADLP C[C@H](C(=O)NCc1[nH+]ccn1C)[NH+]1CC(C)C1 ZINC000557594373 385030288 /nfs/dbraw/zinc/03/02/88/385030288.db2.gz BHNCXROFDNEXAH-SNVBAGLBSA-N 2 2 236.319 0.377 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(F)C1 ZINC000518394816 385047169 /nfs/dbraw/zinc/04/71/69/385047169.db2.gz ZNTMUWDKUYLAFU-NEPJUHHUSA-N 2 2 248.342 0.359 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(F)C1 ZINC000518394816 385047178 /nfs/dbraw/zinc/04/71/78/385047178.db2.gz ZNTMUWDKUYLAFU-NEPJUHHUSA-N 2 2 248.342 0.359 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000518394816 385047181 /nfs/dbraw/zinc/04/71/81/385047181.db2.gz ZNTMUWDKUYLAFU-NEPJUHHUSA-N 2 2 248.342 0.359 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](C)(F)C1 ZINC000518394816 385047188 /nfs/dbraw/zinc/04/71/88/385047188.db2.gz ZNTMUWDKUYLAFU-NEPJUHHUSA-N 2 2 248.342 0.359 20 0 BCADLP CCN(CC[NH3+])CCCc1c[nH+]cn1C ZINC000314936703 385123804 /nfs/dbraw/zinc/12/38/04/385123804.db2.gz RQIHPLATCOLUQJ-UHFFFAOYSA-N 2 2 210.325 0.633 20 0 BCADLP CC[N@@H+](CCN)CCCc1c[nH+]cn1C ZINC000314936703 385123812 /nfs/dbraw/zinc/12/38/12/385123812.db2.gz RQIHPLATCOLUQJ-UHFFFAOYSA-N 2 2 210.325 0.633 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1CCSCC1)C1CC1 ZINC000336685286 385124893 /nfs/dbraw/zinc/12/48/93/385124893.db2.gz KQPWTIBGXJUKCC-LLVKDONJSA-N 2 2 230.377 0.490 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCSCC1)C1CC1 ZINC000336685286 385124899 /nfs/dbraw/zinc/12/48/99/385124899.db2.gz KQPWTIBGXJUKCC-LLVKDONJSA-N 2 2 230.377 0.490 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000129241527 385125403 /nfs/dbraw/zinc/12/54/03/385125403.db2.gz CBZABSIGMZBTOX-SNVBAGLBSA-N 2 2 235.287 0.707 20 0 BCADLP Cn1cc[nH+]c1Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000404892658 385142253 /nfs/dbraw/zinc/14/22/53/385142253.db2.gz XQVBSRZPMXCYDT-JTQLQIEISA-N 2 2 246.318 0.527 20 0 BCADLP COc1nccc(C[NH2+][C@H](C)CC[NH+](C)C)n1 ZINC000294707127 385129847 /nfs/dbraw/zinc/12/98/47/385129847.db2.gz BCODQIJDYDBTKE-SNVBAGLBSA-N 2 2 238.335 0.915 20 0 BCADLP CC[C@]1(C(=O)NCc2[nH]cc[nH+]2)CCC[NH2+]1 ZINC000129038855 385101958 /nfs/dbraw/zinc/10/19/58/385101958.db2.gz AGXGRAJAUJPPLI-LLVKDONJSA-N 2 2 222.292 0.558 20 0 BCADLP Cn1cnnc1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000404841019 385104799 /nfs/dbraw/zinc/10/47/99/385104799.db2.gz NELSMBKLADODNO-YUMQZZPRSA-N 2 2 209.297 0.031 20 0 BCADLP c1c[nH+]c(Cn2cc(C3CC[NH2+]CC3)nn2)[nH]1 ZINC000404853420 385107127 /nfs/dbraw/zinc/10/71/27/385107127.db2.gz PMIKJXYISBTBJQ-UHFFFAOYSA-N 2 2 232.291 0.517 20 0 BCADLP CC[C@@H](C(N)=O)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793654 385189799 /nfs/dbraw/zinc/18/97/99/385189799.db2.gz FZCVXUMZWAXIRN-NSHDSACASA-N 2 2 236.319 0.784 20 0 BCADLP COc1nccc(C[NH2+]CCC[NH+](C)C)n1 ZINC000294775156 385196339 /nfs/dbraw/zinc/19/63/39/385196339.db2.gz NELNZYOHYGDUQC-UHFFFAOYSA-N 2 2 224.308 0.527 20 0 BCADLP COC(=O)CCC[N@@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000300036125 385164093 /nfs/dbraw/zinc/16/40/93/385164093.db2.gz AKZFYMNZLMSEDE-QWRGUYRKSA-N 2 2 228.336 0.999 20 0 BCADLP COC(=O)CCC[N@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000300036125 385164098 /nfs/dbraw/zinc/16/40/98/385164098.db2.gz AKZFYMNZLMSEDE-QWRGUYRKSA-N 2 2 228.336 0.999 20 0 BCADLP CC(C)[NH+]1CCN(Cc2c[nH+]cn2C)CC1 ZINC000177003019 385167762 /nfs/dbraw/zinc/16/77/62/385167762.db2.gz WGHLUVRCSZWYOA-UHFFFAOYSA-N 2 2 222.336 0.946 20 0 BCADLP Cn1c[nH+]cc1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000177059082 385175279 /nfs/dbraw/zinc/17/52/79/385175279.db2.gz LFAXWTBYZOYDSZ-LBPRGKRZSA-N 2 2 238.335 0.183 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@H](C[NH+](C)C)C1 ZINC000177073757 385179292 /nfs/dbraw/zinc/17/92/92/385179292.db2.gz HCGGVHCVWWNYPM-LLVKDONJSA-N 2 2 222.336 0.804 20 0 BCADLP Cn1cncc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000177073757 385179296 /nfs/dbraw/zinc/17/92/96/385179296.db2.gz HCGGVHCVWWNYPM-LLVKDONJSA-N 2 2 222.336 0.804 20 0 BCADLP Cn1cncc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000177073757 385179302 /nfs/dbraw/zinc/17/93/02/385179302.db2.gz HCGGVHCVWWNYPM-LLVKDONJSA-N 2 2 222.336 0.804 20 0 BCADLP Cn1c[nH+]cc1CNc1ccn(CC[NH+](C)C)n1 ZINC000119774723 385211056 /nfs/dbraw/zinc/21/10/56/385211056.db2.gz KNRFRZOHIHTDAR-UHFFFAOYSA-N 2 2 248.334 0.790 20 0 BCADLP Cn1c[nH+]cc1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000177281583 385213329 /nfs/dbraw/zinc/21/33/29/385213329.db2.gz KIXXVOBAMNXTQI-LLVKDONJSA-N 2 2 222.336 0.946 20 0 BCADLP CC[C@H]([NH3+])C(=O)Nc1c[nH+]ccc1OC ZINC000166575248 385256441 /nfs/dbraw/zinc/25/64/41/385256441.db2.gz LYEMKKJXFPAOAC-ZETCQYMHSA-N 2 2 209.249 0.766 20 0 BCADLP CC[C@@H](C(N)=O)[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000108369769 385233067 /nfs/dbraw/zinc/23/30/67/385233067.db2.gz XKAAQIOCNYFSGD-NSHDSACASA-N 2 2 227.352 0.713 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+]C[C@H](C)[NH+](C)C ZINC000308879005 385233364 /nfs/dbraw/zinc/23/33/64/385233364.db2.gz TVDYGIXYCVKXTK-MNOVXSKESA-N 2 2 210.325 0.811 20 0 BCADLP Cn1cc[nH+]c1Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000405036021 385242692 /nfs/dbraw/zinc/24/26/92/385242692.db2.gz XARRVMAWCPRLGF-UHFFFAOYSA-N 2 2 246.318 0.527 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000644730465 385255126 /nfs/dbraw/zinc/25/51/26/385255126.db2.gz VSNIGFMKXSVOSF-QWRGUYRKSA-N 2 2 220.320 0.556 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000644730465 385255131 /nfs/dbraw/zinc/25/51/31/385255131.db2.gz VSNIGFMKXSVOSF-QWRGUYRKSA-N 2 2 220.320 0.556 20 0 BCADLP C[C@H]([NH3+])C(=O)NCCCCNc1cccc[nH+]1 ZINC000167229068 385304608 /nfs/dbraw/zinc/30/46/08/385304608.db2.gz NFEHHKPGXQZZPC-JTQLQIEISA-N 2 2 236.319 0.737 20 0 BCADLP C[C@@H]([NH3+])C(=O)NCCCCNc1cccc[nH+]1 ZINC000167229169 385304704 /nfs/dbraw/zinc/30/47/04/385304704.db2.gz NFEHHKPGXQZZPC-SNVBAGLBSA-N 2 2 236.319 0.737 20 0 BCADLP C[C@@H](Cn1cccn1)[NH2+][C@@H](C)C[NH+](C)C ZINC000308965004 385315468 /nfs/dbraw/zinc/31/54/68/385315468.db2.gz UTZHWDLIOKLOPH-QWRGUYRKSA-N 2 2 210.325 0.811 20 0 BCADLP C[C@H](CNc1[nH+]cnc2c1cnn2C)C[NH+](C)C ZINC000291671878 385294878 /nfs/dbraw/zinc/29/48/78/385294878.db2.gz DNDUMMCCVNYVRU-SECBINFHSA-N 2 2 248.334 0.973 20 0 BCADLP CCN(C)C(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000158123299 385349159 /nfs/dbraw/zinc/34/91/59/385349159.db2.gz VNHWARYJPWMUGC-GHMZBOCLSA-N 2 2 227.352 0.537 20 0 BCADLP CCN(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158123299 385349162 /nfs/dbraw/zinc/34/91/62/385349162.db2.gz VNHWARYJPWMUGC-GHMZBOCLSA-N 2 2 227.352 0.537 20 0 BCADLP CC[C@H]([NH3+])C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000168494355 385372700 /nfs/dbraw/zinc/37/27/00/385372700.db2.gz SGVBJEWNNGEBQT-NSHDSACASA-N 2 2 246.314 0.996 20 0 BCADLP CC[N@H+](C)CCNCc1[nH+]cc(C)n1C ZINC000309031094 385379691 /nfs/dbraw/zinc/37/96/91/385379691.db2.gz DUNUWNSBGWMRJO-UHFFFAOYSA-N 2 2 210.325 0.770 20 0 BCADLP CC[N@@H+](C)CCNCc1[nH+]cc(C)n1C ZINC000309031094 385379694 /nfs/dbraw/zinc/37/96/94/385379694.db2.gz DUNUWNSBGWMRJO-UHFFFAOYSA-N 2 2 210.325 0.770 20 0 BCADLP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000309092602 385414509 /nfs/dbraw/zinc/41/45/09/385414509.db2.gz CRABQJVUWZLJJT-NNYUYHANSA-N 2 2 214.353 0.933 20 0 BCADLP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000309092602 385414514 /nfs/dbraw/zinc/41/45/14/385414514.db2.gz CRABQJVUWZLJJT-NNYUYHANSA-N 2 2 214.353 0.933 20 0 BCADLP CC[C@H]([NH3+])C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000178786835 385419363 /nfs/dbraw/zinc/41/93/63/385419363.db2.gz YNRGDVCLCXMABJ-NSHDSACASA-N 2 2 246.314 0.996 20 0 BCADLP C[NH+](C)C/C=C\C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000492840465 385448075 /nfs/dbraw/zinc/44/80/75/385448075.db2.gz PCWSMOGTXQGONE-XOULXFPDSA-N 2 2 248.330 0.501 20 0 BCADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+]C1COC1)C2 ZINC000309170886 385448467 /nfs/dbraw/zinc/44/84/67/385448467.db2.gz LHEIKZMOPFBHDN-SECBINFHSA-N 2 2 207.277 0.495 20 0 BCADLP C[C@@H](C[NH3+])N(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000179190952 385450543 /nfs/dbraw/zinc/45/05/43/385450543.db2.gz QZUNRQNIGRPVOZ-VIFPVBQESA-N 2 2 232.287 0.754 20 0 BCADLP C[C@H]([N@H+](C)CCn1cc[nH+]c1)C(C)(C)O ZINC000295150173 385458564 /nfs/dbraw/zinc/45/85/64/385458564.db2.gz LYKANDHIOYBVOS-JTQLQIEISA-N 2 2 211.309 0.974 20 0 BCADLP C[C@H]([N@@H+](C)CCn1cc[nH+]c1)C(C)(C)O ZINC000295150173 385458570 /nfs/dbraw/zinc/45/85/70/385458570.db2.gz LYKANDHIOYBVOS-JTQLQIEISA-N 2 2 211.309 0.974 20 0 BCADLP COC(=O)[C@@]1(C)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000179466639 385467278 /nfs/dbraw/zinc/46/72/78/385467278.db2.gz BZEOGVSRSYPHIR-LBPRGKRZSA-N 2 2 237.303 0.768 20 0 BCADLP COC(=O)[C@@]1(C)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000179466639 385467283 /nfs/dbraw/zinc/46/72/83/385467283.db2.gz BZEOGVSRSYPHIR-LBPRGKRZSA-N 2 2 237.303 0.768 20 0 BCADLP COC(=O)[C@]1(C)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000179466645 385467323 /nfs/dbraw/zinc/46/73/23/385467323.db2.gz BZEOGVSRSYPHIR-GFCCVEGCSA-N 2 2 237.303 0.768 20 0 BCADLP COC(=O)[C@]1(C)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000179466645 385467325 /nfs/dbraw/zinc/46/73/25/385467325.db2.gz BZEOGVSRSYPHIR-GFCCVEGCSA-N 2 2 237.303 0.768 20 0 BCADLP C[NH+](C)CC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000171178589 385472103 /nfs/dbraw/zinc/47/21/03/385472103.db2.gz PDWQHDFCNDRTHD-JTQLQIEISA-N 2 2 239.319 0.560 20 0 BCADLP C[C@@H](O)C[C@@H]1COCC[N@@H+]1CCn1cc[nH+]c1 ZINC000156888409 385472754 /nfs/dbraw/zinc/47/27/54/385472754.db2.gz NRVLPSOEMKREIL-VXGBXAGGSA-N 2 2 239.319 0.355 20 0 BCADLP C[C@@H](O)C[C@@H]1COCC[N@H+]1CCn1cc[nH+]c1 ZINC000156888409 385472756 /nfs/dbraw/zinc/47/27/56/385472756.db2.gz NRVLPSOEMKREIL-VXGBXAGGSA-N 2 2 239.319 0.355 20 0 BCADLP c1cc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)[nH]n1 ZINC000275702674 385475299 /nfs/dbraw/zinc/47/52/99/385475299.db2.gz XSLCJFZFCOEFPA-JTQLQIEISA-N 2 2 231.303 0.958 20 0 BCADLP CN(c1nc[nH+]c(N)c1Cl)C1CC([NH3+])C1 ZINC000643046769 385552241 /nfs/dbraw/zinc/55/22/41/385552241.db2.gz UZIXQDJUZSLKJE-UHFFFAOYSA-N 2 2 227.699 0.638 20 0 BCADLP CN(c1[nH+]cnc(N)c1Cl)C1CC([NH3+])C1 ZINC000643046769 385552244 /nfs/dbraw/zinc/55/22/44/385552244.db2.gz UZIXQDJUZSLKJE-UHFFFAOYSA-N 2 2 227.699 0.638 20 0 BCADLP C[NH+](C)[C@H](CNC(=O)/C=C\c1[nH]cc[nH+]1)C1CC1 ZINC000493195288 385554367 /nfs/dbraw/zinc/55/43/67/385554367.db2.gz VELLJXQPVDEWMM-ISALQUGTSA-N 2 2 248.330 0.879 20 0 BCADLP CC[NH+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493271307 385559457 /nfs/dbraw/zinc/55/94/57/385559457.db2.gz MEZSSQPZCYFMKM-ONEGZZNKSA-N 2 2 234.303 0.587 20 0 BCADLP COC(=O)[C@H](C)[N@H+](C)CCn1cc[nH+]c1C ZINC000280796461 385602940 /nfs/dbraw/zinc/60/29/40/385602940.db2.gz ROENOAMDJUTCKU-VIFPVBQESA-N 2 2 225.292 0.685 20 0 BCADLP COC(=O)[C@H](C)[N@@H+](C)CCn1cc[nH+]c1C ZINC000280796461 385602947 /nfs/dbraw/zinc/60/29/47/385602947.db2.gz ROENOAMDJUTCKU-VIFPVBQESA-N 2 2 225.292 0.685 20 0 BCADLP CC[C@](C)(O)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336650459 385604504 /nfs/dbraw/zinc/60/45/04/385604504.db2.gz IQHFAFCQEUGRMY-AXFHLTTASA-N 2 2 200.326 0.687 20 0 BCADLP CC[C@](C)(O)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336650459 385604506 /nfs/dbraw/zinc/60/45/06/385604506.db2.gz IQHFAFCQEUGRMY-AXFHLTTASA-N 2 2 200.326 0.687 20 0 BCADLP C[NH+](C)C[C@H]1CCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493545056 385582372 /nfs/dbraw/zinc/58/23/72/385582372.db2.gz CNQDZGHCZGXWAT-MVIFTORASA-N 2 2 248.330 0.976 20 0 BCADLP O=C(/C=C/c1[nH]cc[nH+]1)NCC[NH+]1CCC1 ZINC000493580044 385584588 /nfs/dbraw/zinc/58/45/88/385584588.db2.gz IAYLCZHZFKCFQH-NSCUHMNNSA-N 2 2 220.276 0.245 20 0 BCADLP C[C@H](O)CC[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309451653 385585172 /nfs/dbraw/zinc/58/51/72/385585172.db2.gz QAHTXLCNFQBPTK-CMPLNLGQSA-N 2 2 230.352 0.144 20 0 BCADLP C[C@H](O)CC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309451653 385585174 /nfs/dbraw/zinc/58/51/74/385585174.db2.gz QAHTXLCNFQBPTK-CMPLNLGQSA-N 2 2 230.352 0.144 20 0 BCADLP C[C@H](O)CC[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309451653 385585176 /nfs/dbraw/zinc/58/51/76/385585176.db2.gz QAHTXLCNFQBPTK-CMPLNLGQSA-N 2 2 230.352 0.144 20 0 BCADLP C[C@H](O)CC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309451653 385585179 /nfs/dbraw/zinc/58/51/79/385585179.db2.gz QAHTXLCNFQBPTK-CMPLNLGQSA-N 2 2 230.352 0.144 20 0 BCADLP C[C@@H](O)CC[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309451659 385585836 /nfs/dbraw/zinc/58/58/36/385585836.db2.gz QAHTXLCNFQBPTK-PWSUYJOCSA-N 2 2 230.352 0.144 20 0 BCADLP C[C@@H](O)CC[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309451659 385585839 /nfs/dbraw/zinc/58/58/39/385585839.db2.gz QAHTXLCNFQBPTK-PWSUYJOCSA-N 2 2 230.352 0.144 20 0 BCADLP C[C@@H](O)CC[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000309451659 385585843 /nfs/dbraw/zinc/58/58/43/385585843.db2.gz QAHTXLCNFQBPTK-PWSUYJOCSA-N 2 2 230.352 0.144 20 0 BCADLP C[C@@H](O)CC[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309451659 385585845 /nfs/dbraw/zinc/58/58/45/385585845.db2.gz QAHTXLCNFQBPTK-PWSUYJOCSA-N 2 2 230.352 0.144 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1CCCSCC1)C1CC1 ZINC000309460765 385592020 /nfs/dbraw/zinc/59/20/20/385592020.db2.gz RSKUIPYOSZFKRK-LBPRGKRZSA-N 2 2 244.404 0.880 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+]1CCCSCC1)C1CC1 ZINC000309460765 385592024 /nfs/dbraw/zinc/59/20/24/385592024.db2.gz RSKUIPYOSZFKRK-LBPRGKRZSA-N 2 2 244.404 0.880 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+]1CCCSCC1)C1CC1 ZINC000309460765 385592029 /nfs/dbraw/zinc/59/20/29/385592029.db2.gz RSKUIPYOSZFKRK-LBPRGKRZSA-N 2 2 244.404 0.880 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+]1CCCSCC1)C1CC1 ZINC000309460765 385592032 /nfs/dbraw/zinc/59/20/32/385592032.db2.gz RSKUIPYOSZFKRK-LBPRGKRZSA-N 2 2 244.404 0.880 20 0 BCADLP CO[C@H](C)C[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309486734 385614299 /nfs/dbraw/zinc/61/42/99/385614299.db2.gz XFKUEDMAPBSUMK-PWSUYJOCSA-N 2 2 230.352 0.408 20 0 BCADLP CO[C@H](C)C[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309486734 385614301 /nfs/dbraw/zinc/61/43/01/385614301.db2.gz XFKUEDMAPBSUMK-PWSUYJOCSA-N 2 2 230.352 0.408 20 0 BCADLP CO[C@H](C)C[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000309486734 385614303 /nfs/dbraw/zinc/61/43/03/385614303.db2.gz XFKUEDMAPBSUMK-PWSUYJOCSA-N 2 2 230.352 0.408 20 0 BCADLP CO[C@H](C)C[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309486734 385614304 /nfs/dbraw/zinc/61/43/04/385614304.db2.gz XFKUEDMAPBSUMK-PWSUYJOCSA-N 2 2 230.352 0.408 20 0 BCADLP C[NH+]1CCC([NH2+][C@H](CO)CC(F)(F)F)CC1 ZINC000309489358 385619824 /nfs/dbraw/zinc/61/98/24/385619824.db2.gz WOOQNBHPOAWGHR-VIFPVBQESA-N 2 2 240.269 0.984 20 0 BCADLP CCC[C@H](C(=O)NCc1[nH+]ccn1C)[NH+](C)C ZINC000269804626 385635874 /nfs/dbraw/zinc/63/58/74/385635874.db2.gz ADNRTNNGMQNIHF-SNVBAGLBSA-N 2 2 238.335 0.767 20 0 BCADLP Cc1c[nH+]c(CNC[C@H]2CCC[N@@H+]2C)n1C ZINC000309501729 385638362 /nfs/dbraw/zinc/63/83/62/385638362.db2.gz ZZORHZPZZRXZIS-LLVKDONJSA-N 2 2 222.336 0.912 20 0 BCADLP Cc1c[nH+]c(CNC[C@H]2CCC[N@H+]2C)n1C ZINC000309501729 385638365 /nfs/dbraw/zinc/63/83/65/385638365.db2.gz ZZORHZPZZRXZIS-LLVKDONJSA-N 2 2 222.336 0.912 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000309511834 385647162 /nfs/dbraw/zinc/64/71/62/385647162.db2.gz XOCBIHAPFAZLMS-RYUDHWBXSA-N 3 2 211.353 0.657 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000309511834 385647167 /nfs/dbraw/zinc/64/71/67/385647167.db2.gz XOCBIHAPFAZLMS-RYUDHWBXSA-N 3 2 211.353 0.657 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+]Cc1c[nH+]c[nH]1 ZINC000054764948 385655903 /nfs/dbraw/zinc/65/59/03/385655903.db2.gz ZOVMFRVWTJVVTE-SECBINFHSA-N 2 2 205.265 0.785 20 0 BCADLP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)o1 ZINC000309522898 385661804 /nfs/dbraw/zinc/66/18/04/385661804.db2.gz CHFJUFBVKPGQMN-LBPRGKRZSA-N 2 2 224.304 0.744 20 0 BCADLP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)o1 ZINC000309522898 385661810 /nfs/dbraw/zinc/66/18/10/385661810.db2.gz CHFJUFBVKPGQMN-LBPRGKRZSA-N 2 2 224.304 0.744 20 0 BCADLP CC[C@@H](C)C[NH2+]CC[N@H+](CC)CCO ZINC000184540569 385673448 /nfs/dbraw/zinc/67/34/48/385673448.db2.gz PKXMGDOUAURLAG-LLVKDONJSA-N 2 2 202.342 0.936 20 0 BCADLP CC[C@@H](C)C[NH2+]CC[N@@H+](CC)CCO ZINC000184540569 385673455 /nfs/dbraw/zinc/67/34/55/385673455.db2.gz PKXMGDOUAURLAG-LLVKDONJSA-N 2 2 202.342 0.936 20 0 BCADLP Cc1nn(C)cc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000229817200 385677197 /nfs/dbraw/zinc/67/71/97/385677197.db2.gz ZHEYYBZSIPGBFJ-GFCCVEGCSA-N 2 2 240.351 0.131 20 0 BCADLP CN(C)c1cc[nH+]cc1C[NH2+]CCN1CCC1 ZINC000353171327 385678586 /nfs/dbraw/zinc/67/85/86/385678586.db2.gz RENPJUUPCLCHJJ-UHFFFAOYSA-N 2 2 234.347 0.943 20 0 BCADLP CN(C)c1cc[nH+]cc1CNCC[NH+]1CCC1 ZINC000353171327 385678594 /nfs/dbraw/zinc/67/85/94/385678594.db2.gz RENPJUUPCLCHJJ-UHFFFAOYSA-N 2 2 234.347 0.943 20 0 BCADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cnn(C)c1 ZINC000414854781 385696318 /nfs/dbraw/zinc/69/63/18/385696318.db2.gz VMDFBQGQYJBLLA-LLVKDONJSA-N 2 2 210.325 0.883 20 0 BCADLP CC(C)C[C@H](C[NH3+])NCc1[nH+]ccn1C ZINC000414855614 385702785 /nfs/dbraw/zinc/70/27/85/385702785.db2.gz XJDLCQNJWQPXJI-SNVBAGLBSA-N 2 2 210.325 0.883 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)[C@@H]1C ZINC000336689097 385714700 /nfs/dbraw/zinc/71/47/00/385714700.db2.gz WAHDAEICGRJLGX-LPWJVIDDSA-N 2 2 225.380 0.866 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)[C@@H]1C ZINC000336689097 385714705 /nfs/dbraw/zinc/71/47/05/385714705.db2.gz WAHDAEICGRJLGX-LPWJVIDDSA-N 2 2 225.380 0.866 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+]CCn1cc[nH+]c1 ZINC000122678897 385714742 /nfs/dbraw/zinc/71/47/42/385714742.db2.gz OEHNMYDIWPKDIL-LLVKDONJSA-N 2 2 219.292 0.758 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)[C@H]1C ZINC000336689099 385715557 /nfs/dbraw/zinc/71/55/57/385715557.db2.gz WAHDAEICGRJLGX-VOAKCMCISA-N 2 2 225.380 0.866 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)[C@H]1C ZINC000336689099 385715559 /nfs/dbraw/zinc/71/55/59/385715559.db2.gz WAHDAEICGRJLGX-VOAKCMCISA-N 2 2 225.380 0.866 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc2oc(=O)n(C)c2c1 ZINC000260077586 385667052 /nfs/dbraw/zinc/66/70/52/385667052.db2.gz NQKDSXSMZDTKDS-VIFPVBQESA-N 2 2 249.314 0.911 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc2oc(=O)n(C)c2c1 ZINC000260077586 385667057 /nfs/dbraw/zinc/66/70/57/385667057.db2.gz NQKDSXSMZDTKDS-VIFPVBQESA-N 2 2 249.314 0.911 20 0 BCADLP C[NH2+]CCC[NH2+]Cc1cc(C(=O)OC)co1 ZINC000414857973 385728106 /nfs/dbraw/zinc/72/81/06/385728106.db2.gz GYCQQTDVTKYZNT-UHFFFAOYSA-N 2 2 226.276 0.765 20 0 BCADLP Fc1cnccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000648385254 385745220 /nfs/dbraw/zinc/74/52/20/385745220.db2.gz VWADECGMCYGBFU-GHMZBOCLSA-N 2 2 221.279 0.872 20 0 BCADLP CC(C)(CC(N)=O)[NH2+]CC[NH+]1CCCCC1 ZINC000186216413 385749428 /nfs/dbraw/zinc/74/94/28/385749428.db2.gz XFFWEVHOIQOPLJ-UHFFFAOYSA-N 2 2 227.352 0.716 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CCCSC1 ZINC000186575588 385771798 /nfs/dbraw/zinc/77/17/98/385771798.db2.gz CTOZQISYIDSLCT-LLVKDONJSA-N 2 2 232.393 0.786 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCCSC1 ZINC000186575588 385771803 /nfs/dbraw/zinc/77/18/03/385771803.db2.gz CTOZQISYIDSLCT-LLVKDONJSA-N 2 2 232.393 0.786 20 0 BCADLP COC[C@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000271062889 385781272 /nfs/dbraw/zinc/78/12/72/385781272.db2.gz ADFPRTZYZGSAFU-GHMZBOCLSA-N 2 2 239.319 0.596 20 0 BCADLP COC[C@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000271062889 385781276 /nfs/dbraw/zinc/78/12/76/385781276.db2.gz ADFPRTZYZGSAFU-GHMZBOCLSA-N 2 2 239.319 0.596 20 0 BCADLP Cc1c[nH+]c(CNCC[NH+]2CCC2)n1C ZINC000336735902 385722725 /nfs/dbraw/zinc/72/27/25/385722725.db2.gz OVOBMYBWGDVUII-UHFFFAOYSA-N 2 2 208.309 0.524 20 0 BCADLP O=C(C[NH2+]Cc1cccc2[nH+]ccn21)NC1CC1 ZINC000271257195 385810545 /nfs/dbraw/zinc/81/05/45/385810545.db2.gz LRFLGBLIIPRBBB-UHFFFAOYSA-N 2 2 244.298 0.703 20 0 BCADLP C[C@@H](CNC(N)=[NH2+])[N@@H+]1CCc2sccc2C1 ZINC000261769268 385829228 /nfs/dbraw/zinc/82/92/28/385829228.db2.gz MMJBYWLMNJPCNT-QMMMGPOBSA-N 2 2 238.360 0.978 20 0 BCADLP C[C@@H](CNC(N)=[NH2+])[N@H+]1CCc2sccc2C1 ZINC000261769268 385829234 /nfs/dbraw/zinc/82/92/34/385829234.db2.gz MMJBYWLMNJPCNT-QMMMGPOBSA-N 2 2 238.360 0.978 20 0 BCADLP Cn1c[nH+]cc1C[NH2+]CC(=O)NCC1CC1 ZINC000336717908 385840357 /nfs/dbraw/zinc/84/03/57/385840357.db2.gz XCEPDFUEFKTLGV-UHFFFAOYSA-N 2 2 222.292 0.036 20 0 BCADLP CCN(C)C(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000271707163 385846084 /nfs/dbraw/zinc/84/60/84/385846084.db2.gz OPSZMSRTJGAYQG-UHFFFAOYSA-N 2 2 238.335 0.683 20 0 BCADLP CCN(C)C(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000271707163 385846087 /nfs/dbraw/zinc/84/60/87/385846087.db2.gz OPSZMSRTJGAYQG-UHFFFAOYSA-N 2 2 238.335 0.683 20 0 BCADLP Cc1nc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)no1 ZINC000069724119 385854664 /nfs/dbraw/zinc/85/46/64/385854664.db2.gz DOUVGHYABGPQFL-JTQLQIEISA-N 2 2 224.308 0.939 20 0 BCADLP Cc1nc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)no1 ZINC000069724119 385854668 /nfs/dbraw/zinc/85/46/68/385854668.db2.gz DOUVGHYABGPQFL-JTQLQIEISA-N 2 2 224.308 0.939 20 0 BCADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccncc1F ZINC000340479032 385894973 /nfs/dbraw/zinc/89/49/73/385894973.db2.gz UFZKWJMPINGOAT-UWVGGRQHSA-N 2 2 241.310 0.794 20 0 BCADLP CC[NH+]1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000647844692 385894908 /nfs/dbraw/zinc/89/49/08/385894908.db2.gz RZKIUAUKDJRXBV-UHFFFAOYSA-N 2 2 249.318 0.423 20 0 BCADLP C[N@H+](CCC[NH3+])CC1(CS(C)(=O)=O)CC1 ZINC000647847561 385898266 /nfs/dbraw/zinc/89/82/66/385898266.db2.gz UTKUPHHQBLQFOQ-UHFFFAOYSA-N 2 2 234.365 0.092 20 0 BCADLP C[N@@H+](CCC[NH3+])CC1(CS(C)(=O)=O)CC1 ZINC000647847561 385898268 /nfs/dbraw/zinc/89/82/68/385898268.db2.gz UTKUPHHQBLQFOQ-UHFFFAOYSA-N 2 2 234.365 0.092 20 0 BCADLP C[N@H+](CCC[NH3+])CC(=O)NC(C1CC1)C1CC1 ZINC000647849273 385900736 /nfs/dbraw/zinc/90/07/36/385900736.db2.gz NMNMVKDLRZAYDO-UHFFFAOYSA-N 2 2 239.363 0.572 20 0 BCADLP C[N@@H+](CCC[NH3+])CC(=O)NC(C1CC1)C1CC1 ZINC000647849273 385900738 /nfs/dbraw/zinc/90/07/38/385900738.db2.gz NMNMVKDLRZAYDO-UHFFFAOYSA-N 2 2 239.363 0.572 20 0 BCADLP CCC[NH2+]CC[NH2+][C@H](C)CC(=O)N(C)C ZINC000414876884 385914600 /nfs/dbraw/zinc/91/46/00/385914600.db2.gz WRCJXLTZKOYKSY-SNVBAGLBSA-N 2 2 215.341 0.442 20 0 BCADLP Cn1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1=O ZINC000647810481 385862642 /nfs/dbraw/zinc/86/26/42/385862642.db2.gz DLNWBIPRKAZJQO-UHFFFAOYSA-N 2 2 221.304 0.181 20 0 BCADLP Cn1ccc(C[N@H+]2CCC[NH2+]CC2)cc1=O ZINC000647810481 385862645 /nfs/dbraw/zinc/86/26/45/385862645.db2.gz DLNWBIPRKAZJQO-UHFFFAOYSA-N 2 2 221.304 0.181 20 0 BCADLP Cn1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)cc1=O ZINC000647813456 385866858 /nfs/dbraw/zinc/86/68/58/385866858.db2.gz OPCDUQKNVPQKJV-NSHDSACASA-N 2 2 221.304 0.308 20 0 BCADLP Cn1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)cc1=O ZINC000647813456 385866861 /nfs/dbraw/zinc/86/68/61/385866861.db2.gz OPCDUQKNVPQKJV-NSHDSACASA-N 2 2 221.304 0.308 20 0 BCADLP C[C@H](c1nnnn1C1CC1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000647830550 385872062 /nfs/dbraw/zinc/87/20/62/385872062.db2.gz QJUJIYFHKQUVOJ-BDAKNGLRSA-N 2 2 236.323 0.350 20 0 BCADLP C[C@H](c1nnnn1C1CC1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000647830550 385872067 /nfs/dbraw/zinc/87/20/67/385872067.db2.gz QJUJIYFHKQUVOJ-BDAKNGLRSA-N 2 2 236.323 0.350 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)NC1CC1 ZINC000331793521 385977889 /nfs/dbraw/zinc/97/78/89/385977889.db2.gz CXCSDHKICIQRGO-FBIMIBRVSA-N 2 2 225.336 0.513 20 0 BCADLP CC(C)CNC(=O)[C@@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000647926618 385983079 /nfs/dbraw/zinc/98/30/79/385983079.db2.gz GVCZAKWGIYCIAR-LLVKDONJSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@@H](C[N@H+](C)C1CC([NH3+])C1)CS(C)(=O)=O ZINC000647982668 385938144 /nfs/dbraw/zinc/93/81/44/385938144.db2.gz RPZLEHOUMDMEBL-IDKOKCKLSA-N 2 2 234.365 0.089 20 0 BCADLP C[C@@H](C[N@@H+](C)C1CC([NH3+])C1)CS(C)(=O)=O ZINC000647982668 385938148 /nfs/dbraw/zinc/93/81/48/385938148.db2.gz RPZLEHOUMDMEBL-IDKOKCKLSA-N 2 2 234.365 0.089 20 0 BCADLP C[C@@H](O)CC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000425395957 385945094 /nfs/dbraw/zinc/94/50/94/385945094.db2.gz OPEJREJPPLBTSQ-LLVKDONJSA-N 2 2 230.352 0.146 20 0 BCADLP C[C@@H](O)CC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000425395957 385945098 /nfs/dbraw/zinc/94/50/98/385945098.db2.gz OPEJREJPPLBTSQ-LLVKDONJSA-N 2 2 230.352 0.146 20 0 BCADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)NC1CCCC1 ZINC000342142142 385945695 /nfs/dbraw/zinc/94/56/95/385945695.db2.gz RYVITMYUSWAEJP-SNVBAGLBSA-N 2 2 239.363 0.905 20 0 BCADLP C[C@H](CNC(=O)[C@@H](C)C[NH3+])Cn1cc[nH+]c1 ZINC000285791942 385966370 /nfs/dbraw/zinc/96/63/70/385966370.db2.gz OYGZGZVUJMIFCZ-ZJUUUORDSA-N 2 2 224.308 0.230 20 0 BCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1nccs1 ZINC000336750386 386003466 /nfs/dbraw/zinc/00/34/66/386003466.db2.gz UUJLVSOLAXPFKC-MWLCHTKSSA-N 2 2 241.360 0.860 20 0 BCADLP COc1ncc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000309341891 386005246 /nfs/dbraw/zinc/00/52/46/386005246.db2.gz KVUBWUZLYICLJT-RKDXNWHRSA-N 2 2 239.344 0.803 20 0 BCADLP c1cn(CC[N@H+](C2CC2)C2COC2)c[nH+]1 ZINC000295315585 386010268 /nfs/dbraw/zinc/01/02/68/386010268.db2.gz GIAVAZWYJBMYEL-UHFFFAOYSA-N 2 2 207.277 0.746 20 0 BCADLP c1cn(CC[N@@H+](C2CC2)C2COC2)c[nH+]1 ZINC000295315585 386010273 /nfs/dbraw/zinc/01/02/73/386010273.db2.gz GIAVAZWYJBMYEL-UHFFFAOYSA-N 2 2 207.277 0.746 20 0 BCADLP COC[C@@H](O)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000338483040 386016152 /nfs/dbraw/zinc/01/61/52/386016152.db2.gz JEFFMARAOQSIAW-NSHDSACASA-N 2 2 235.287 0.431 20 0 BCADLP O=C(NCc1c[nH+]c[nH]1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000335069503 386016257 /nfs/dbraw/zinc/01/62/57/386016257.db2.gz LXYMYRFHKHFOPP-GXFFZTMASA-N 2 2 248.330 0.806 20 0 BCADLP O=C(NCc1c[nH]c[nH+]1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000335069503 386016262 /nfs/dbraw/zinc/01/62/62/386016262.db2.gz LXYMYRFHKHFOPP-GXFFZTMASA-N 2 2 248.330 0.806 20 0 BCADLP CC[C@@H]([NH3+])C[NH2+]Cc1nc(C)ccc1O ZINC000414975338 386016733 /nfs/dbraw/zinc/01/67/33/386016733.db2.gz GDLCLYCNOQRNQT-SECBINFHSA-N 2 2 209.293 0.923 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]C1CC(OC(C)C)C1 ZINC000189583041 386034161 /nfs/dbraw/zinc/03/41/61/386034161.db2.gz RQZIBPIMGJYXPV-UHFFFAOYSA-N 2 2 244.379 0.846 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]C1CC(OC(C)C)C1 ZINC000189583041 386034163 /nfs/dbraw/zinc/03/41/63/386034163.db2.gz RQZIBPIMGJYXPV-UHFFFAOYSA-N 2 2 244.379 0.846 20 0 BCADLP CC[C@@H]([NH3+])CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000295239362 385995704 /nfs/dbraw/zinc/99/57/04/385995704.db2.gz OUZXNKUVAWLBJJ-SNVBAGLBSA-N 2 2 232.287 0.801 20 0 BCADLP CCCC[N@H+](C)CC[NH2+][C@H](C)CC(N)=O ZINC000336749421 385996110 /nfs/dbraw/zinc/99/61/10/385996110.db2.gz DIBLUUBQJDWFSE-SNVBAGLBSA-N 2 2 215.341 0.572 20 0 BCADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)CC(N)=O ZINC000336749421 385996116 /nfs/dbraw/zinc/99/61/16/385996116.db2.gz DIBLUUBQJDWFSE-SNVBAGLBSA-N 2 2 215.341 0.572 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334456492 386107406 /nfs/dbraw/zinc/10/74/06/386107406.db2.gz HIIDIDMANNLCBQ-CYBMUJFWSA-N 2 2 239.363 0.540 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334456492 386107411 /nfs/dbraw/zinc/10/74/11/386107411.db2.gz HIIDIDMANNLCBQ-CYBMUJFWSA-N 2 2 239.363 0.540 20 0 BCADLP CCNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334456492 386107415 /nfs/dbraw/zinc/10/74/15/386107415.db2.gz HIIDIDMANNLCBQ-CYBMUJFWSA-N 2 2 239.363 0.540 20 0 BCADLP CCNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000334456492 386107418 /nfs/dbraw/zinc/10/74/18/386107418.db2.gz HIIDIDMANNLCBQ-CYBMUJFWSA-N 2 2 239.363 0.540 20 0 BCADLP CC[N@H+](C)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000287350598 386113956 /nfs/dbraw/zinc/11/39/56/386113956.db2.gz FXRWTARUXHBFFQ-UHFFFAOYSA-N 2 2 224.308 0.410 20 0 BCADLP CC[N@@H+](C)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000287350598 386113961 /nfs/dbraw/zinc/11/39/61/386113961.db2.gz FXRWTARUXHBFFQ-UHFFFAOYSA-N 2 2 224.308 0.410 20 0 BCADLP CCC[NH2+]CCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000415373652 386066332 /nfs/dbraw/zinc/06/63/32/386066332.db2.gz CEJLRFGVAJBVOV-UHFFFAOYSA-N 2 2 236.319 0.933 20 0 BCADLP CCC[NH2+]CCNC(=O)Nc1cc[nH+]cc1C ZINC000415378231 386067415 /nfs/dbraw/zinc/06/74/15/386067415.db2.gz CCSXTECLDOTTKV-UHFFFAOYSA-N 2 2 236.319 0.933 20 0 BCADLP CC[C@H]([NH3+])CNC(=O)Nc1cc[nH+]cc1C ZINC000415381372 386069334 /nfs/dbraw/zinc/06/93/34/386069334.db2.gz IOSPTCIVFYOFPA-VIFPVBQESA-N 2 2 222.292 0.671 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1[nH+]ccn1C ZINC000334441486 386069981 /nfs/dbraw/zinc/06/99/81/386069981.db2.gz LGCHMINGJPMPIK-GHMZBOCLSA-N 2 2 222.336 0.945 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1[nH+]ccn1C ZINC000334441486 386069987 /nfs/dbraw/zinc/06/99/87/386069987.db2.gz LGCHMINGJPMPIK-GHMZBOCLSA-N 2 2 222.336 0.945 20 0 BCADLP CC[NH2+]CCNC(=O)Nc1cc[nH+]cc1C ZINC000415387620 386070409 /nfs/dbraw/zinc/07/04/09/386070409.db2.gz QQVXPNZELGBTCQ-UHFFFAOYSA-N 2 2 222.292 0.543 20 0 BCADLP C[NH2+]C[C@H](C)CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000415400042 386072399 /nfs/dbraw/zinc/07/23/99/386072399.db2.gz SLPSZAJEYPUXPM-VIFPVBQESA-N 2 2 236.319 0.789 20 0 BCADLP Cc1cc(NC(=O)N2CC[NH2+]CC2)cc[nH+]1 ZINC000415396570 386074303 /nfs/dbraw/zinc/07/43/03/386074303.db2.gz OBSUXMPIMAJLSR-UHFFFAOYSA-N 2 2 220.276 0.249 20 0 BCADLP COCC[NH2+]CC[NH2+][C@@H]1CCCSC1 ZINC000414887644 386092173 /nfs/dbraw/zinc/09/21/73/386092173.db2.gz QWLOAMXGVJUVSC-SNVBAGLBSA-N 2 2 218.366 0.708 20 0 BCADLP COC(=O)c1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)o1 ZINC000414892060 386144270 /nfs/dbraw/zinc/14/42/70/386144270.db2.gz IWFSRHPDGPSDRZ-SNVBAGLBSA-N 2 2 238.287 0.893 20 0 BCADLP CC(=O)N1CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414673488 386146847 /nfs/dbraw/zinc/14/68/47/386146847.db2.gz CILZZBIPRMOWJG-ZDUSSCGKSA-N 2 2 241.379 0.914 20 0 BCADLP CC(=O)N1CCC[N@H+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414673488 386146849 /nfs/dbraw/zinc/14/68/49/386146849.db2.gz CILZZBIPRMOWJG-ZDUSSCGKSA-N 2 2 241.379 0.914 20 0 BCADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H]3CCC[C@@H]32)CC1 ZINC000334472227 386151131 /nfs/dbraw/zinc/15/11/31/386151131.db2.gz KGIGWGVXSKOCDI-NEPJUHHUSA-N 2 2 237.347 0.245 20 0 BCADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@H]3CCC[C@@H]32)CC1 ZINC000334472227 386151133 /nfs/dbraw/zinc/15/11/33/386151133.db2.gz KGIGWGVXSKOCDI-NEPJUHHUSA-N 2 2 237.347 0.245 20 0 BCADLP Cc1nc(N2CCC[C@H]([NH+](C)C)C2)nc(N)[nH+]1 ZINC000310174449 386154235 /nfs/dbraw/zinc/15/42/35/386154235.db2.gz QNZQMFLWDKNRFL-VIFPVBQESA-N 2 2 236.323 0.293 20 0 BCADLP CCOC[C@@H](C)[NH2+]CC[NH2+]CCOC ZINC000414893392 386156302 /nfs/dbraw/zinc/15/63/02/386156302.db2.gz YFTJQRUAGHGDSZ-SNVBAGLBSA-N 2 2 204.314 0.237 20 0 BCADLP Cc1ccn2cc(CNC(=O)C[NH+](C)C)[nH+]c2c1 ZINC000263915236 386190839 /nfs/dbraw/zinc/19/08/39/386190839.db2.gz XBUAIXPPHQXTSX-UHFFFAOYSA-N 2 2 246.314 0.821 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000414689501 386178585 /nfs/dbraw/zinc/17/85/85/386178585.db2.gz FSYUYSVBWBOYCZ-OLZOCXBDSA-N 2 2 244.379 0.833 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H](OCCO)C1 ZINC000414689501 386178588 /nfs/dbraw/zinc/17/85/88/386178588.db2.gz FSYUYSVBWBOYCZ-OLZOCXBDSA-N 2 2 244.379 0.833 20 0 BCADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1COC[C@H]1O ZINC000340277059 386189073 /nfs/dbraw/zinc/18/90/73/386189073.db2.gz KIDZOAKRHAGKGD-FRRDWIJNSA-N 2 2 242.363 0.552 20 0 BCADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1COC[C@H]1O ZINC000340277059 386189077 /nfs/dbraw/zinc/18/90/77/386189077.db2.gz KIDZOAKRHAGKGD-FRRDWIJNSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@H]1COC[C@H]1O ZINC000340277059 386189085 /nfs/dbraw/zinc/18/90/85/386189085.db2.gz KIDZOAKRHAGKGD-FRRDWIJNSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@H]1COC[C@H]1O ZINC000340277059 386189089 /nfs/dbraw/zinc/18/90/89/386189089.db2.gz KIDZOAKRHAGKGD-FRRDWIJNSA-N 2 2 242.363 0.552 20 0 BCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC[NH3+])C1 ZINC000414702631 386210562 /nfs/dbraw/zinc/21/05/62/386210562.db2.gz IXEJDCIEILUOKJ-LBPRGKRZSA-N 3 2 213.369 0.999 20 0 BCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC[NH3+])C1 ZINC000414702631 386210566 /nfs/dbraw/zinc/21/05/66/386210566.db2.gz IXEJDCIEILUOKJ-LBPRGKRZSA-N 3 2 213.369 0.999 20 0 BCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC[NH3+])C1 ZINC000414702631 386210569 /nfs/dbraw/zinc/21/05/69/386210569.db2.gz IXEJDCIEILUOKJ-LBPRGKRZSA-N 3 2 213.369 0.999 20 0 BCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC[NH3+])C1 ZINC000414702631 386210575 /nfs/dbraw/zinc/21/05/75/386210575.db2.gz IXEJDCIEILUOKJ-LBPRGKRZSA-N 3 2 213.369 0.999 20 0 BCADLP C[N@H+](Cc1cccnc1)C1CC[NH+](CCO)CC1 ZINC000353358003 386218386 /nfs/dbraw/zinc/21/83/86/386218386.db2.gz WILCGQKSQYKIAI-UHFFFAOYSA-N 2 2 249.358 0.970 20 0 BCADLP C[N@@H+](Cc1cccnc1)C1CC[NH+](CCO)CC1 ZINC000353358003 386218390 /nfs/dbraw/zinc/21/83/90/386218390.db2.gz WILCGQKSQYKIAI-UHFFFAOYSA-N 2 2 249.358 0.970 20 0 BCADLP CC1(C)C[N@H+](CCn2cc[nH+]c2)CC[C@H]1O ZINC000275522396 386220470 /nfs/dbraw/zinc/22/04/70/386220470.db2.gz VPQCWOGCSLXGFN-LLVKDONJSA-N 2 2 223.320 0.976 20 0 BCADLP CC1(C)C[N@@H+](CCn2cc[nH+]c2)CC[C@H]1O ZINC000275522396 386220478 /nfs/dbraw/zinc/22/04/78/386220478.db2.gz VPQCWOGCSLXGFN-LLVKDONJSA-N 2 2 223.320 0.976 20 0 BCADLP C[N@H+](CCC[NH3+])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000414714426 386232123 /nfs/dbraw/zinc/23/21/23/386232123.db2.gz VQWYSIQZBPHBFW-MNOVXSKESA-N 2 2 248.392 0.623 20 0 BCADLP C[N@@H+](CCC[NH3+])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000414714426 386232127 /nfs/dbraw/zinc/23/21/27/386232127.db2.gz VQWYSIQZBPHBFW-MNOVXSKESA-N 2 2 248.392 0.623 20 0 BCADLP CC[N@H+](CCOC)CCc1c[nH+]cn1C ZINC000297289133 386239500 /nfs/dbraw/zinc/23/95/00/386239500.db2.gz APYNVFIEOAFOFQ-UHFFFAOYSA-N 2 2 211.309 0.931 20 0 BCADLP CC[N@@H+](CCOC)CCc1c[nH+]cn1C ZINC000297289133 386239506 /nfs/dbraw/zinc/23/95/06/386239506.db2.gz APYNVFIEOAFOFQ-UHFFFAOYSA-N 2 2 211.309 0.931 20 0 BCADLP C[C@H](CNC(=O)C[NH+](C)C)Cn1cc[nH+]c1 ZINC000275923098 386253270 /nfs/dbraw/zinc/25/32/70/386253270.db2.gz BABDWTVPYJTAPV-SNVBAGLBSA-N 2 2 224.308 0.197 20 0 BCADLP COC(=O)c1coc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000347110195 386254738 /nfs/dbraw/zinc/25/47/38/386254738.db2.gz PXZRQACATBBDCU-SECBINFHSA-N 2 2 238.287 0.847 20 0 BCADLP COC(=O)c1coc(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000347110195 386254744 /nfs/dbraw/zinc/25/47/44/386254744.db2.gz PXZRQACATBBDCU-SECBINFHSA-N 2 2 238.287 0.847 20 0 BCADLP CC[C@H](O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000338970941 386192357 /nfs/dbraw/zinc/19/23/57/386192357.db2.gz CQOLPMBGAHPUMJ-LBPRGKRZSA-N 2 2 230.352 0.146 20 0 BCADLP CC[C@H](O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000338970941 386192358 /nfs/dbraw/zinc/19/23/58/386192358.db2.gz CQOLPMBGAHPUMJ-LBPRGKRZSA-N 2 2 230.352 0.146 20 0 BCADLP [NH3+]CCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000414698090 386198964 /nfs/dbraw/zinc/19/89/64/386198964.db2.gz RUKOZHQHLCNGFG-CYBMUJFWSA-N 3 2 241.379 0.379 20 0 BCADLP [NH3+]CCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000414698090 386198968 /nfs/dbraw/zinc/19/89/68/386198968.db2.gz RUKOZHQHLCNGFG-CYBMUJFWSA-N 3 2 241.379 0.379 20 0 BCADLP C[C@H](O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000336664251 386287117 /nfs/dbraw/zinc/28/71/17/386287117.db2.gz ZWDCIQSSWUQVPF-JQWIXIFHSA-N 2 2 222.288 0.916 20 0 BCADLP C[C@H](O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000336664251 386287123 /nfs/dbraw/zinc/28/71/23/386287123.db2.gz ZWDCIQSSWUQVPF-JQWIXIFHSA-N 2 2 222.288 0.916 20 0 BCADLP C[C@@H](O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000336664252 386287506 /nfs/dbraw/zinc/28/75/06/386287506.db2.gz ZWDCIQSSWUQVPF-PWSUYJOCSA-N 2 2 222.288 0.916 20 0 BCADLP C[C@@H](O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000336664252 386287510 /nfs/dbraw/zinc/28/75/10/386287510.db2.gz ZWDCIQSSWUQVPF-PWSUYJOCSA-N 2 2 222.288 0.916 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000647987984 386289615 /nfs/dbraw/zinc/28/96/15/386289615.db2.gz BPULNSUKBHCZEQ-KKOKHZNYSA-N 3 2 211.353 0.572 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@H]1CC[NH2+]C1 ZINC000647987986 386291495 /nfs/dbraw/zinc/29/14/95/386291495.db2.gz BPULNSUKBHCZEQ-WYUUTHIRSA-N 3 2 211.353 0.572 20 0 BCADLP CC[C@H]1C(=O)N(CC)CC[N@H+]1CCC[NH3+] ZINC000414734934 386297371 /nfs/dbraw/zinc/29/73/71/386297371.db2.gz FEUQNEHFHDJJAW-JTQLQIEISA-N 2 2 213.325 0.278 20 0 BCADLP CC[C@H]1C(=O)N(CC)CC[N@@H+]1CCC[NH3+] ZINC000414734934 386297379 /nfs/dbraw/zinc/29/73/79/386297379.db2.gz FEUQNEHFHDJJAW-JTQLQIEISA-N 2 2 213.325 0.278 20 0 BCADLP Cc1n[nH]c([C@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000647988409 386301984 /nfs/dbraw/zinc/30/19/84/386301984.db2.gz FWXPFLOVJSKIIA-NEPJUHHUSA-N 2 2 249.362 0.902 20 0 BCADLP Cc1n[nH]c([C@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000647988409 386301987 /nfs/dbraw/zinc/30/19/87/386301987.db2.gz FWXPFLOVJSKIIA-NEPJUHHUSA-N 2 2 249.362 0.902 20 0 BCADLP Cc1nc([C@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000647988409 386301991 /nfs/dbraw/zinc/30/19/91/386301991.db2.gz FWXPFLOVJSKIIA-NEPJUHHUSA-N 2 2 249.362 0.902 20 0 BCADLP Cc1nc([C@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000647988409 386301995 /nfs/dbraw/zinc/30/19/95/386301995.db2.gz FWXPFLOVJSKIIA-NEPJUHHUSA-N 2 2 249.362 0.902 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000414736945 386304614 /nfs/dbraw/zinc/30/46/14/386304614.db2.gz HZEGDHMXTYFQRM-SDDRHHMPSA-N 2 2 241.379 0.946 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000414736945 386304619 /nfs/dbraw/zinc/30/46/19/386304619.db2.gz HZEGDHMXTYFQRM-SDDRHHMPSA-N 2 2 241.379 0.946 20 0 BCADLP CC[C@H]([NH3+])C(=O)NCc1ccc[nH+]c1N(C)C ZINC000236916459 386324951 /nfs/dbraw/zinc/32/49/51/386324951.db2.gz QNVYPLWUEGPMNG-JTQLQIEISA-N 2 2 236.319 0.501 20 0 BCADLP C[N@@H+]1CC[C@]2(CC[NH+](CCn3cc[nH+]c3)C2)C1 ZINC000334509274 386308175 /nfs/dbraw/zinc/30/81/75/386308175.db2.gz CUCAULVICFWBHQ-ZDUSSCGKSA-N 3 2 234.347 0.911 20 0 BCADLP C[N@H+]1CC[C@]2(CC[NH+](CCn3cc[nH+]c3)C2)C1 ZINC000334509274 386308181 /nfs/dbraw/zinc/30/81/81/386308181.db2.gz CUCAULVICFWBHQ-ZDUSSCGKSA-N 3 2 234.347 0.911 20 0 BCADLP C[NH+]1CC[C@]2(CC[N@H+](CCn3cc[nH+]c3)C2)C1 ZINC000334509274 386308185 /nfs/dbraw/zinc/30/81/85/386308185.db2.gz CUCAULVICFWBHQ-ZDUSSCGKSA-N 3 2 234.347 0.911 20 0 BCADLP C[NH+]1CC[C@]2(CC[N@@H+](CCn3cc[nH+]c3)C2)C1 ZINC000334509274 386308191 /nfs/dbraw/zinc/30/81/91/386308191.db2.gz CUCAULVICFWBHQ-ZDUSSCGKSA-N 3 2 234.347 0.911 20 0 BCADLP CCCC[N@H+](CCc1c[nH+]cn1C)CC(N)=O ZINC000289491325 386316724 /nfs/dbraw/zinc/31/67/24/386316724.db2.gz CMJNVUVBGCMRGX-UHFFFAOYSA-N 2 2 238.335 0.550 20 0 BCADLP CCCC[N@@H+](CCc1c[nH+]cn1C)CC(N)=O ZINC000289491325 386316730 /nfs/dbraw/zinc/31/67/30/386316730.db2.gz CMJNVUVBGCMRGX-UHFFFAOYSA-N 2 2 238.335 0.550 20 0 BCADLP Cc1[nH]c(C(=O)NCC2([NH+](C)C)CC2)c[nH+]1 ZINC000416305155 386266327 /nfs/dbraw/zinc/26/63/27/386266327.db2.gz WMOBWZXLENXMDY-UHFFFAOYSA-N 2 2 222.292 0.542 20 0 BCADLP COC[C@@H]1CC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000339290050 386341208 /nfs/dbraw/zinc/34/12/08/386341208.db2.gz HSVKYEVIHCUWRB-NWDGAFQWSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@@H]1CC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000339290050 386341219 /nfs/dbraw/zinc/34/12/19/386341219.db2.gz HSVKYEVIHCUWRB-NWDGAFQWSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@@H]1CC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000339290050 386341223 /nfs/dbraw/zinc/34/12/23/386341223.db2.gz HSVKYEVIHCUWRB-NWDGAFQWSA-N 2 2 228.336 0.162 20 0 BCADLP O=C1[C@H]([N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CCN1C1CC1 ZINC000334491349 386343566 /nfs/dbraw/zinc/34/35/66/386343566.db2.gz XEXSSVFZRBZDFH-TZMCWYRMSA-N 2 2 249.358 0.435 20 0 BCADLP O=C1[C@H]([N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CCN1C1CC1 ZINC000334491349 386343571 /nfs/dbraw/zinc/34/35/71/386343571.db2.gz XEXSSVFZRBZDFH-TZMCWYRMSA-N 2 2 249.358 0.435 20 0 BCADLP O=C1[C@H]([N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CCN1C1CC1 ZINC000334491348 386344140 /nfs/dbraw/zinc/34/41/40/386344140.db2.gz XEXSSVFZRBZDFH-OCCSQVGLSA-N 2 2 249.358 0.435 20 0 BCADLP O=C1[C@H]([N@H+]2CC[C@]3(CC[NH2+]C3)C2)CCN1C1CC1 ZINC000334491348 386344146 /nfs/dbraw/zinc/34/41/46/386344146.db2.gz XEXSSVFZRBZDFH-OCCSQVGLSA-N 2 2 249.358 0.435 20 0 BCADLP CC(C)C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647989185 386347738 /nfs/dbraw/zinc/34/77/38/386347738.db2.gz ULEMWXARCIXYMJ-VXGBXAGGSA-N 2 2 239.363 0.442 20 0 BCADLP CC(C)C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647989185 386347742 /nfs/dbraw/zinc/34/77/42/386347742.db2.gz ULEMWXARCIXYMJ-VXGBXAGGSA-N 2 2 239.363 0.442 20 0 BCADLP CNC(=O)N[C@H]1CC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414747211 386353784 /nfs/dbraw/zinc/35/37/84/386353784.db2.gz TZRSVNIWFFOXFB-MNOVXSKESA-N 2 2 242.367 0.363 20 0 BCADLP CNC(=O)N[C@H]1CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414747211 386353787 /nfs/dbraw/zinc/35/37/87/386353787.db2.gz TZRSVNIWFFOXFB-MNOVXSKESA-N 2 2 242.367 0.363 20 0 BCADLP CCCC[N@H+](CC(N)=O)CC(C)(C)[NH3+] ZINC000336774742 386364034 /nfs/dbraw/zinc/36/40/34/386364034.db2.gz ZPKQYTUYGRGTDJ-UHFFFAOYSA-N 2 2 201.314 0.311 20 0 BCADLP CCCC[N@@H+](CC(N)=O)CC(C)(C)[NH3+] ZINC000336774742 386364037 /nfs/dbraw/zinc/36/40/37/386364037.db2.gz ZPKQYTUYGRGTDJ-UHFFFAOYSA-N 2 2 201.314 0.311 20 0 BCADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC[NH3+])C1 ZINC000414749859 386367291 /nfs/dbraw/zinc/36/72/91/386367291.db2.gz WVXIFJTWLCZGCA-ZDUSSCGKSA-N 3 2 225.380 0.999 20 0 BCADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC[NH3+])C1 ZINC000414749859 386367299 /nfs/dbraw/zinc/36/72/99/386367299.db2.gz WVXIFJTWLCZGCA-ZDUSSCGKSA-N 3 2 225.380 0.999 20 0 BCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC[NH3+])C1 ZINC000414749859 386367303 /nfs/dbraw/zinc/36/73/03/386367303.db2.gz WVXIFJTWLCZGCA-ZDUSSCGKSA-N 3 2 225.380 0.999 20 0 BCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC[NH3+])C1 ZINC000414749859 386367308 /nfs/dbraw/zinc/36/73/08/386367308.db2.gz WVXIFJTWLCZGCA-ZDUSSCGKSA-N 3 2 225.380 0.999 20 0 BCADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H](O)CO)n2c1 ZINC000276751567 386372043 /nfs/dbraw/zinc/37/20/43/386372043.db2.gz LTPSPPZRUKLRAE-LLVKDONJSA-N 2 2 235.287 0.086 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]C[C@H]1CCSC1 ZINC000336774463 386374470 /nfs/dbraw/zinc/37/44/70/386374470.db2.gz ZWDWRFWXKRPXDF-LLVKDONJSA-N 2 2 232.393 0.643 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]C[C@H]1CCSC1 ZINC000336774463 386374477 /nfs/dbraw/zinc/37/44/77/386374477.db2.gz ZWDWRFWXKRPXDF-LLVKDONJSA-N 2 2 232.393 0.643 20 0 BCADLP Cn1nccc1CC[NH+]1CCC([NH+](C)C)CC1 ZINC000336697403 386381723 /nfs/dbraw/zinc/38/17/23/386381723.db2.gz SLHHMARVCZLLJR-UHFFFAOYSA-N 2 2 236.363 0.989 20 0 BCADLP CO[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@@H]1OC ZINC000276853959 386384411 /nfs/dbraw/zinc/38/44/11/386384411.db2.gz JJBBQEMXFMOVHI-PHIMTYICSA-N 2 2 225.292 0.229 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](CCCCCF)CCO1 ZINC000308457560 386326565 /nfs/dbraw/zinc/32/65/65/386326565.db2.gz FIERBKCXFVAJFF-SNVBAGLBSA-N 2 2 204.289 0.786 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](CCCCCF)CCO1 ZINC000308457560 386326568 /nfs/dbraw/zinc/32/65/68/386326568.db2.gz FIERBKCXFVAJFF-SNVBAGLBSA-N 2 2 204.289 0.786 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+](CCC[NH3+])C1CC1 ZINC000414742391 386327771 /nfs/dbraw/zinc/32/77/71/386327771.db2.gz MBMINVSLJZLJPV-VIFPVBQESA-N 2 2 214.309 0.751 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+](CCC[NH3+])C1CC1 ZINC000414742391 386327777 /nfs/dbraw/zinc/32/77/77/386327777.db2.gz MBMINVSLJZLJPV-VIFPVBQESA-N 2 2 214.309 0.751 20 0 BCADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1cn[nH]c1 ZINC000289579249 386328838 /nfs/dbraw/zinc/32/88/38/386328838.db2.gz RAWYGXWQLXEVQQ-JOYOIKCWSA-N 2 2 238.335 0.515 20 0 BCADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1cn[nH]c1 ZINC000289579249 386328843 /nfs/dbraw/zinc/32/88/43/386328843.db2.gz RAWYGXWQLXEVQQ-JOYOIKCWSA-N 2 2 238.335 0.515 20 0 BCADLP CC(C)C[C@@H]([NH3+])CN1CC[N@@H+]2CCOC[C@H]2C1 ZINC000414742728 386330661 /nfs/dbraw/zinc/33/06/61/386330661.db2.gz NUUWVIKKGBTPGF-CHWSQXEVSA-N 2 2 241.379 0.376 20 0 BCADLP CC(C)C[C@@H]([NH3+])CN1CC[N@H+]2CCOC[C@H]2C1 ZINC000414742728 386330668 /nfs/dbraw/zinc/33/06/68/386330668.db2.gz NUUWVIKKGBTPGF-CHWSQXEVSA-N 2 2 241.379 0.376 20 0 BCADLP Cn1cncc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000335275539 386335296 /nfs/dbraw/zinc/33/52/96/386335296.db2.gz CZACRRPWVZWHAU-GHMZBOCLSA-N 2 2 208.309 0.780 20 0 BCADLP Cn1c[nH+]cc1CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000335275539 386335302 /nfs/dbraw/zinc/33/53/02/386335302.db2.gz CZACRRPWVZWHAU-GHMZBOCLSA-N 2 2 208.309 0.780 20 0 BCADLP Cn1ncnc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000336718663 386441179 /nfs/dbraw/zinc/44/11/79/386441179.db2.gz WYNQWWYPVINGMO-UHFFFAOYSA-N 2 2 237.351 0.589 20 0 BCADLP CO[C@@H]1C[N@H+](Cc2c[nH+]cn2C)C[C@@H]1OC ZINC000276910649 386389405 /nfs/dbraw/zinc/38/94/05/386389405.db2.gz QEMZVURQZGYGFZ-PHIMTYICSA-N 2 2 225.292 0.266 20 0 BCADLP CO[C@@H]1C[N@@H+](Cc2c[nH+]cn2C)C[C@@H]1OC ZINC000276910649 386389411 /nfs/dbraw/zinc/38/94/11/386389411.db2.gz QEMZVURQZGYGFZ-PHIMTYICSA-N 2 2 225.292 0.266 20 0 BCADLP C[C@H](O)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336703812 386391063 /nfs/dbraw/zinc/39/10/63/386391063.db2.gz BYCQIQXLGCNQFZ-QWHCGFSZSA-N 2 2 242.363 0.411 20 0 BCADLP C[C@H](O)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336703812 386391066 /nfs/dbraw/zinc/39/10/66/386391066.db2.gz BYCQIQXLGCNQFZ-QWHCGFSZSA-N 2 2 242.363 0.411 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000647891574 386393305 /nfs/dbraw/zinc/39/33/05/386393305.db2.gz SVARPFCYTOVALR-RYUDHWBXSA-N 2 2 228.336 0.476 20 0 BCADLP C[NH2+]CCC[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000647891574 386393308 /nfs/dbraw/zinc/39/33/08/386393308.db2.gz SVARPFCYTOVALR-RYUDHWBXSA-N 2 2 228.336 0.476 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000647891572 386393546 /nfs/dbraw/zinc/39/35/46/386393546.db2.gz SVARPFCYTOVALR-NEPJUHHUSA-N 2 2 228.336 0.476 20 0 BCADLP C[NH2+]CCC[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000647891572 386393550 /nfs/dbraw/zinc/39/35/50/386393550.db2.gz SVARPFCYTOVALR-NEPJUHHUSA-N 2 2 228.336 0.476 20 0 BCADLP C[C@H]([NH3+])[C@H](C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000277041199 386400577 /nfs/dbraw/zinc/40/05/77/386400577.db2.gz KEHIBJKSLJVADF-UWVGGRQHSA-N 2 2 246.314 0.934 20 0 BCADLP O=C1CCCN1[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000336700497 386400882 /nfs/dbraw/zinc/40/08/82/386400882.db2.gz FRGOJVBPHSDDJA-GFCCVEGCSA-N 2 2 248.330 0.580 20 0 BCADLP O=C1CCCN1[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000336700497 386400885 /nfs/dbraw/zinc/40/08/85/386400885.db2.gz FRGOJVBPHSDDJA-GFCCVEGCSA-N 2 2 248.330 0.580 20 0 BCADLP COC(=O)[C@@H](C)[N@H+](CCC[NH3+])C1CCC1 ZINC000414758245 386408717 /nfs/dbraw/zinc/40/87/17/386408717.db2.gz MLDDFMXJLOTYSC-SECBINFHSA-N 2 2 214.309 0.751 20 0 BCADLP COC(=O)[C@@H](C)[N@@H+](CCC[NH3+])C1CCC1 ZINC000414758245 386408724 /nfs/dbraw/zinc/40/87/24/386408724.db2.gz MLDDFMXJLOTYSC-SECBINFHSA-N 2 2 214.309 0.751 20 0 BCADLP CCCC(=O)N[C@@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000442663900 386412071 /nfs/dbraw/zinc/41/20/71/386412071.db2.gz UTGSIRMTCRJXJV-WDEREUQCSA-N 2 2 227.352 0.714 20 0 BCADLP CCCC(=O)N[C@@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000442663900 386412075 /nfs/dbraw/zinc/41/20/75/386412075.db2.gz UTGSIRMTCRJXJV-WDEREUQCSA-N 2 2 227.352 0.714 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCCNC2=O)C1 ZINC000336719580 386451762 /nfs/dbraw/zinc/45/17/62/386451762.db2.gz XYHLWLVEKLOJJZ-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCCNC2=O)C1 ZINC000336719580 386451765 /nfs/dbraw/zinc/45/17/65/386451765.db2.gz XYHLWLVEKLOJJZ-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC000336719580 386451770 /nfs/dbraw/zinc/45/17/70/386451770.db2.gz XYHLWLVEKLOJJZ-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC000336719580 386451773 /nfs/dbraw/zinc/45/17/73/386451773.db2.gz XYHLWLVEKLOJJZ-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000648033968 386414397 /nfs/dbraw/zinc/41/43/97/386414397.db2.gz BYYRRMKYBISUIX-QWRGUYRKSA-N 2 2 237.351 0.465 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000414762412 386424931 /nfs/dbraw/zinc/42/49/31/386424931.db2.gz LBOWGQRLQKYQGK-QJPTWQEYSA-N 2 2 239.363 0.570 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000414762412 386424935 /nfs/dbraw/zinc/42/49/35/386424935.db2.gz LBOWGQRLQKYQGK-QJPTWQEYSA-N 2 2 239.363 0.570 20 0 BCADLP Cc1cccn2c(C[NH2+]C[C@H](O)CO)c[nH+]c12 ZINC000347510802 386427488 /nfs/dbraw/zinc/42/74/88/386427488.db2.gz WZSMOQWXHRLRKT-NSHDSACASA-N 2 2 235.287 0.086 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266901329 386479598 /nfs/dbraw/zinc/47/95/98/386479598.db2.gz GQFYHDCIIPEULD-BDAKNGLRSA-N 2 2 222.292 0.463 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266901329 386479599 /nfs/dbraw/zinc/47/95/99/386479599.db2.gz GQFYHDCIIPEULD-BDAKNGLRSA-N 2 2 222.292 0.463 20 0 BCADLP C[C@H]([NH2+]CC(=O)NCC(F)F)[C@H]1CCCC[NH2+]1 ZINC000393699017 386486056 /nfs/dbraw/zinc/48/60/56/386486056.db2.gz ANIIGYFUWFFDHP-DTWKUNHWSA-N 2 2 249.305 0.488 20 0 BCADLP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])[nH]1 ZINC000415011361 386489733 /nfs/dbraw/zinc/48/97/33/386489733.db2.gz HPPQMOIGPMIEGP-SFYZADRCSA-N 2 2 225.292 0.627 20 0 BCADLP COC(=O)c1coc(C[N@H+](C)C2CC([NH3+])C2)c1 ZINC000414779567 386492909 /nfs/dbraw/zinc/49/29/09/386492909.db2.gz RRZOQPIVXPMLHD-UHFFFAOYSA-N 2 2 238.287 0.988 20 0 BCADLP COC(=O)c1coc(C[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000414779567 386492918 /nfs/dbraw/zinc/49/29/18/386492918.db2.gz RRZOQPIVXPMLHD-UHFFFAOYSA-N 2 2 238.287 0.988 20 0 BCADLP CCCn1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cn1 ZINC000415043268 386529465 /nfs/dbraw/zinc/52/94/65/386529465.db2.gz TYYUVUPLASVOCQ-GDNZZTSVSA-N 2 2 220.320 0.601 20 0 BCADLP C[NH+](C)C1CC[NH+](CCNc2cnccn2)CC1 ZINC000267190777 386506910 /nfs/dbraw/zinc/50/69/10/386506910.db2.gz MJXFEERMMCVDKO-UHFFFAOYSA-N 2 2 249.362 0.915 20 0 BCADLP Cc1cn[nH]c1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000335447267 386513645 /nfs/dbraw/zinc/51/36/45/386513645.db2.gz BRLZPXBOKZHHPS-NXEZZACHSA-N 2 2 208.309 0.887 20 0 BCADLP Cc1c[nH]nc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000335449135 386516689 /nfs/dbraw/zinc/51/66/89/386516689.db2.gz VROIOLDNAHPGSC-UHFFFAOYSA-N 2 2 208.309 0.902 20 0 BCADLP Cc1c[nH]nc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000335449135 386516692 /nfs/dbraw/zinc/51/66/92/386516692.db2.gz VROIOLDNAHPGSC-UHFFFAOYSA-N 2 2 208.309 0.902 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227861531 386520918 /nfs/dbraw/zinc/52/09/18/386520918.db2.gz DPDOFVATAXKGGA-GMTAPVOTSA-N 2 2 236.319 0.515 20 0 BCADLP COC(=O)c1coc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000415040079 386527733 /nfs/dbraw/zinc/52/77/33/386527733.db2.gz PRQGVFPRQVTKAE-URLYPYJESA-N 2 2 236.271 0.374 20 0 BCADLP [NH3+][C@H]1CC[N@H+](CCC(=O)NC2CCCC2)C1 ZINC000430638876 386464065 /nfs/dbraw/zinc/46/40/65/386464065.db2.gz NYZZMUWGMISFSQ-JTQLQIEISA-N 2 2 225.336 0.468 20 0 BCADLP [NH3+][C@H]1CC[N@@H+](CCC(=O)NC2CCCC2)C1 ZINC000430638876 386464069 /nfs/dbraw/zinc/46/40/69/386464069.db2.gz NYZZMUWGMISFSQ-JTQLQIEISA-N 2 2 225.336 0.468 20 0 BCADLP C[NH+](C)CC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000062622759 386587173 /nfs/dbraw/zinc/58/71/73/386587173.db2.gz IJGVNBZGMBIDEU-CYBMUJFWSA-N 2 2 247.342 0.721 20 0 BCADLP CN(Cc1[nH+]ccn1C)C[C@@]1(C)CC[NH2+]C1 ZINC000062912551 386531673 /nfs/dbraw/zinc/53/16/73/386531673.db2.gz HXRNKHKXHQCELS-LBPRGKRZSA-N 2 2 222.336 0.852 20 0 BCADLP [NH3+][C@H]1C[C@@H](C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000335455953 386534274 /nfs/dbraw/zinc/53/42/74/386534274.db2.gz VSXXFLPQAQSARS-AOOOYVTPSA-N 2 2 244.298 0.688 20 0 BCADLP Cc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)nn1C ZINC000414789583 386538419 /nfs/dbraw/zinc/53/84/19/386538419.db2.gz FJEYVTJORZDFGJ-NSHDSACASA-N 2 2 210.325 0.801 20 0 BCADLP COc1cc(C[N@H+](CC[NH3+])CCO)ccc1C ZINC000414918792 386541668 /nfs/dbraw/zinc/54/16/68/386541668.db2.gz ZICRNTUQTKHYTC-UHFFFAOYSA-N 2 2 238.331 0.757 20 0 BCADLP COc1cc(C[N@@H+](CC[NH3+])CCO)ccc1C ZINC000414918792 386541676 /nfs/dbraw/zinc/54/16/76/386541676.db2.gz ZICRNTUQTKHYTC-UHFFFAOYSA-N 2 2 238.331 0.757 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](CCc2cccnc2)CCO1 ZINC000063221820 386546626 /nfs/dbraw/zinc/54/66/26/386546626.db2.gz HAQYKFYUWMKQBW-GFCCVEGCSA-N 2 2 221.304 0.284 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](CCc2cccnc2)CCO1 ZINC000063221820 386546629 /nfs/dbraw/zinc/54/66/29/386546629.db2.gz HAQYKFYUWMKQBW-GFCCVEGCSA-N 2 2 221.304 0.284 20 0 BCADLP Cc1ccc(F)c(C[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000415066551 386548332 /nfs/dbraw/zinc/54/83/32/386548332.db2.gz JHOSEFMXQKBRKF-LLVKDONJSA-N 2 2 226.295 0.886 20 0 BCADLP Cc1ccc(F)c(C[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000415066551 386548340 /nfs/dbraw/zinc/54/83/40/386548340.db2.gz JHOSEFMXQKBRKF-LLVKDONJSA-N 2 2 226.295 0.886 20 0 BCADLP C1C[NH2+][C@H]([C@H]2CCC[C@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415052505 386554230 /nfs/dbraw/zinc/55/42/30/386554230.db2.gz CYCXECXCGNGSMT-WCQYUDONSA-N 3 2 235.375 0.715 20 0 BCADLP CCN(C)C(=O)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000332062360 386561776 /nfs/dbraw/zinc/56/17/76/386561776.db2.gz ZDPYLCJCZVEWQF-QWRGUYRKSA-N 2 2 227.352 0.714 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414795105 386573518 /nfs/dbraw/zinc/57/35/18/386573518.db2.gz MMKAHDWCGQIHJE-GHMZBOCLSA-N 3 2 201.358 0.933 20 0 BCADLP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000415110335 386620475 /nfs/dbraw/zinc/62/04/75/386620475.db2.gz SNPVQRQSHILTGA-ZIAGYGMSSA-N 2 2 234.343 0.850 20 0 BCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000320572656 386623317 /nfs/dbraw/zinc/62/33/17/386623317.db2.gz SMTIBEZUMWLLHE-NXEZZACHSA-N 2 2 224.308 0.515 20 0 BCADLP C[C@@]1(CNc2ccc(CO)c[nH+]2)CC[NH2+]C1 ZINC000415102888 386624033 /nfs/dbraw/zinc/62/40/33/386624033.db2.gz JJXOLDZBQIKBSD-GFCCVEGCSA-N 2 2 221.304 0.985 20 0 BCADLP CC(C)C[C@H]([NH3+])C[NH2+]CC(=O)NCC1CC1 ZINC000415102811 386624910 /nfs/dbraw/zinc/62/49/10/386624910.db2.gz JXTIEINOYSLMBD-NSHDSACASA-N 2 2 227.352 0.476 20 0 BCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[NH+]2CCC1CC2 ZINC000328797335 386626965 /nfs/dbraw/zinc/62/69/65/386626965.db2.gz VRWJRHDDPIKETF-UHFFFAOYSA-N 2 2 248.330 0.649 20 0 BCADLP CO[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336646659 386638740 /nfs/dbraw/zinc/63/87/40/386638740.db2.gz DYCWUPLXUGGYHJ-NEPJUHHUSA-N 2 2 228.336 0.162 20 0 BCADLP CO[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336646659 386638745 /nfs/dbraw/zinc/63/87/45/386638745.db2.gz DYCWUPLXUGGYHJ-NEPJUHHUSA-N 2 2 228.336 0.162 20 0 BCADLP CO[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336646659 386638750 /nfs/dbraw/zinc/63/87/50/386638750.db2.gz DYCWUPLXUGGYHJ-NEPJUHHUSA-N 2 2 228.336 0.162 20 0 BCADLP CO[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336646659 386638755 /nfs/dbraw/zinc/63/87/55/386638755.db2.gz DYCWUPLXUGGYHJ-NEPJUHHUSA-N 2 2 228.336 0.162 20 0 BCADLP CC(C)[C@@H]([NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000291941148 386600997 /nfs/dbraw/zinc/60/09/97/386600997.db2.gz CVUBATNEEVLODY-GFCCVEGCSA-N 2 2 246.314 0.934 20 0 BCADLP CO[C@H]1CCN(Cc2[nH+]ccn2C)[C@@H](C[NH3+])C1 ZINC000161182409 386602096 /nfs/dbraw/zinc/60/20/96/386602096.db2.gz NVSXFVGYQYUTTH-MNOVXSKESA-N 2 2 238.335 0.358 20 0 BCADLP CC[C@@H]1C[C@@H](C[NH2+]C[C@@H]2C[NH2+]CCO2)CCO1 ZINC000415096201 386614294 /nfs/dbraw/zinc/61/42/94/386614294.db2.gz PHRWHFWBTYLQGN-XQQFMLRXSA-N 2 2 242.363 0.770 20 0 BCADLP CCn1cc(C[NH2+]C[C@H]2CCC[NH2+]2)cn1 ZINC000414820441 386665277 /nfs/dbraw/zinc/66/52/77/386665277.db2.gz AYDPTYMJQGINOF-LLVKDONJSA-N 2 2 208.309 0.745 20 0 BCADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000414822156 386671858 /nfs/dbraw/zinc/67/18/58/386671858.db2.gz MRENSVCVAWEWBS-SDDRHHMPSA-N 3 2 211.353 0.716 20 0 BCADLP CC1(C)CCC[NH2+][C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000232819727 386674102 /nfs/dbraw/zinc/67/41/02/386674102.db2.gz BIKPYMBYPZBXGJ-SNVBAGLBSA-N 2 2 236.319 0.804 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@@H](C)C[NH+](C)C)c[nH+]1 ZINC000292500798 386679019 /nfs/dbraw/zinc/67/90/19/386679019.db2.gz XIZKVXDXYVSISX-MRVPVSSYSA-N 2 2 224.308 0.646 20 0 BCADLP CCN(C)C(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337281337 386698687 /nfs/dbraw/zinc/69/86/87/386698687.db2.gz WDFNKSBUGVUTBJ-UHFFFAOYSA-N 2 2 241.379 0.882 20 0 BCADLP CCN(C)C(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337281337 386698694 /nfs/dbraw/zinc/69/86/94/386698694.db2.gz WDFNKSBUGVUTBJ-UHFFFAOYSA-N 2 2 241.379 0.882 20 0 BCADLP COC[C@H](CO)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000279802161 386737771 /nfs/dbraw/zinc/73/77/71/386737771.db2.gz NOXMXKQSCAROCU-NSHDSACASA-N 2 2 249.314 0.740 20 0 BCADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccnn1C ZINC000414840596 386740279 /nfs/dbraw/zinc/74/02/79/386740279.db2.gz MNFAZHBNESWYSN-SNVBAGLBSA-N 2 2 210.325 0.883 20 0 BCADLP C[C@H](C[NH3+])C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000357247255 386744839 /nfs/dbraw/zinc/74/48/39/386744839.db2.gz ZFJSXWDHXQQRSW-SECBINFHSA-N 2 2 236.319 0.711 20 0 BCADLP C[C@H](C[NH3+])C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000357247255 386744843 /nfs/dbraw/zinc/74/48/43/386744843.db2.gz ZFJSXWDHXQQRSW-SECBINFHSA-N 2 2 236.319 0.711 20 0 BCADLP C[NH2+][C@H]1CCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000269113445 386753828 /nfs/dbraw/zinc/75/38/28/386753828.db2.gz GANSDBGLVYQCPA-NSHDSACASA-N 2 2 244.298 0.768 20 0 BCADLP Cn1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)cn1 ZINC000335537876 386742191 /nfs/dbraw/zinc/74/21/91/386742191.db2.gz GQYKFTQMYHYFBO-UHFFFAOYSA-N 2 2 220.320 0.748 20 0 BCADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)C(=O)NCCF ZINC000336743985 386790422 /nfs/dbraw/zinc/79/04/22/386790422.db2.gz PUABGKWDLXHBRB-SECBINFHSA-N 2 2 231.315 0.144 20 0 BCADLP C[NH2+]C[C@H](C)C[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000414844900 386783667 /nfs/dbraw/zinc/78/36/67/386783667.db2.gz RTSXHEXXRNELAE-JTQLQIEISA-N 2 2 239.367 0.978 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414935770 386817214 /nfs/dbraw/zinc/81/72/14/386817214.db2.gz UQOUWXNSYUPDGJ-WOPDTQHZSA-N 3 2 211.353 0.574 20 0 BCADLP CS[C@@H]1CN(Cc2c[nH+]c[nH]2)C[C@H]1[NH+](C)C ZINC000280293803 386799633 /nfs/dbraw/zinc/79/96/33/386799633.db2.gz UWMVKZJGTQFTJH-GHMZBOCLSA-N 2 2 240.376 0.887 20 0 BCADLP CS[C@@H]1CN(Cc2c[nH]c[nH+]2)C[C@H]1[NH+](C)C ZINC000280293803 386799644 /nfs/dbraw/zinc/79/96/44/386799644.db2.gz UWMVKZJGTQFTJH-GHMZBOCLSA-N 2 2 240.376 0.887 20 0 BCADLP C[C@H]1OCC[C@H]1[N@H+](CCO)CCn1cc[nH+]c1 ZINC000330103648 386827589 /nfs/dbraw/zinc/82/75/89/386827589.db2.gz GLDVUWFRKNHXAL-VXGBXAGGSA-N 2 2 239.319 0.355 20 0 BCADLP C[C@H]1OCC[C@H]1[N@@H+](CCO)CCn1cc[nH+]c1 ZINC000330103648 386827595 /nfs/dbraw/zinc/82/75/95/386827595.db2.gz GLDVUWFRKNHXAL-VXGBXAGGSA-N 2 2 239.319 0.355 20 0 BCADLP CO[C@H]1COC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000290150164 386829891 /nfs/dbraw/zinc/82/98/91/386829891.db2.gz NMHMVFPYCJVLAS-QWRGUYRKSA-N 2 2 225.292 0.277 20 0 BCADLP C[NH+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000330689720 386830156 /nfs/dbraw/zinc/83/01/56/386830156.db2.gz AGQOWGPXPRLKSY-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000417388913 386835409 /nfs/dbraw/zinc/83/54/09/386835409.db2.gz OZXARYSCZBPPND-VWYCJHECSA-N 2 2 247.333 0.866 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000417388913 386835413 /nfs/dbraw/zinc/83/54/13/386835413.db2.gz OZXARYSCZBPPND-VWYCJHECSA-N 2 2 247.333 0.866 20 0 BCADLP Cc1nocc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000293395634 386838248 /nfs/dbraw/zinc/83/82/48/386838248.db2.gz XLWQEIUYZKNZTE-NSHDSACASA-N 2 2 227.308 0.385 20 0 BCADLP Cc1noc(CCC[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC000358117091 386894205 /nfs/dbraw/zinc/89/42/05/386894205.db2.gz ADOAAAGGHQETBD-GXSJLCMTSA-N 2 2 238.335 0.850 20 0 BCADLP Cc1noc(CCC[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC000358117091 386894212 /nfs/dbraw/zinc/89/42/12/386894212.db2.gz ADOAAAGGHQETBD-GXSJLCMTSA-N 2 2 238.335 0.850 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc3c[nH]nc32)CCO1 ZINC000357945964 386870903 /nfs/dbraw/zinc/87/09/03/386870903.db2.gz OMVMDWWUVADXJZ-LBPRGKRZSA-N 2 2 246.314 0.722 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3c[nH]nc32)CCO1 ZINC000357945964 386870910 /nfs/dbraw/zinc/87/09/10/386870910.db2.gz OMVMDWWUVADXJZ-LBPRGKRZSA-N 2 2 246.314 0.722 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc3c[nH]nc32)CCO1 ZINC000357945958 386871068 /nfs/dbraw/zinc/87/10/68/386871068.db2.gz OMVMDWWUVADXJZ-GFCCVEGCSA-N 2 2 246.314 0.722 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3c[nH]nc32)CCO1 ZINC000357945958 386871073 /nfs/dbraw/zinc/87/10/73/386871073.db2.gz OMVMDWWUVADXJZ-GFCCVEGCSA-N 2 2 246.314 0.722 20 0 BCADLP C[C@H]1C[C@@H](C[N@H+]2CC(=O)N(C3CC3)C2)CC[NH2+]1 ZINC000334833867 386872696 /nfs/dbraw/zinc/87/26/96/386872696.db2.gz UHENWRBLNGKTSK-QWRGUYRKSA-N 2 2 237.347 0.639 20 0 BCADLP C[C@H]1C[C@@H](C[N@@H+]2CC(=O)N(C3CC3)C2)CC[NH2+]1 ZINC000334833867 386872702 /nfs/dbraw/zinc/87/27/02/386872702.db2.gz UHENWRBLNGKTSK-QWRGUYRKSA-N 2 2 237.347 0.639 20 0 BCADLP CN(C)c1ccccc1C[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000357964881 386873977 /nfs/dbraw/zinc/87/39/77/386873977.db2.gz JWVMVFVLGOJLAR-ZDUSSCGKSA-N 2 2 249.358 0.912 20 0 BCADLP CN(C)c1ccccc1C[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000357964881 386873981 /nfs/dbraw/zinc/87/39/81/386873981.db2.gz JWVMVFVLGOJLAR-ZDUSSCGKSA-N 2 2 249.358 0.912 20 0 BCADLP CN(CC[NH+](C)C)C(=O)CCc1c[nH+]c[nH]1 ZINC000330771804 386882132 /nfs/dbraw/zinc/88/21/32/386882132.db2.gz VRFHSZURWITNMQ-UHFFFAOYSA-N 2 2 224.308 0.362 20 0 BCADLP CN(CC[NH+](C)C)C(=O)CCc1c[nH]c[nH+]1 ZINC000330771804 386882136 /nfs/dbraw/zinc/88/21/36/386882136.db2.gz VRFHSZURWITNMQ-UHFFFAOYSA-N 2 2 224.308 0.362 20 0 BCADLP [NH3+]CCC[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000334860424 386913769 /nfs/dbraw/zinc/91/37/69/386913769.db2.gz SJAQZVMVNQXODF-UWVGGRQHSA-N 2 2 211.309 0.078 20 0 BCADLP [NH3+]CCC[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000334860424 386913771 /nfs/dbraw/zinc/91/37/71/386913771.db2.gz SJAQZVMVNQXODF-UWVGGRQHSA-N 2 2 211.309 0.078 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc2c(c1)nnn2C ZINC000331835173 386914873 /nfs/dbraw/zinc/91/48/73/386914873.db2.gz COQSYUFOOVTIGG-ONGXEEELSA-N 2 2 245.330 0.890 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc2c(c1)nnn2C ZINC000331835173 386914878 /nfs/dbraw/zinc/91/48/78/386914878.db2.gz COQSYUFOOVTIGG-ONGXEEELSA-N 2 2 245.330 0.890 20 0 BCADLP C[N@H+](CC1(O)CCC1)C1CC[NH+](CCO)CC1 ZINC000341372578 386895693 /nfs/dbraw/zinc/89/56/93/386895693.db2.gz OQHPOFHSNJMCJS-UHFFFAOYSA-N 2 2 242.363 0.290 20 0 BCADLP C[N@@H+](CC1(O)CCC1)C1CC[NH+](CCO)CC1 ZINC000341372578 386895698 /nfs/dbraw/zinc/89/56/98/386895698.db2.gz OQHPOFHSNJMCJS-UHFFFAOYSA-N 2 2 242.363 0.290 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000334853549 386903980 /nfs/dbraw/zinc/90/39/80/386903980.db2.gz XNVPNDZLQZUNPL-LLVKDONJSA-N 2 2 221.304 0.648 20 0 BCADLP Cc1n[nH]c(C)c1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358175931 386906739 /nfs/dbraw/zinc/90/67/39/386906739.db2.gz VNUYCNXSDCSRHZ-LBPRGKRZSA-N 2 2 238.335 0.183 20 0 BCADLP Cc1n[nH]c(C)c1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358175931 386906744 /nfs/dbraw/zinc/90/67/44/386906744.db2.gz VNUYCNXSDCSRHZ-LBPRGKRZSA-N 2 2 238.335 0.183 20 0 BCADLP CC[NH+]1CCC([NH2+][C@H]2CCCN(C)C2=O)CC1 ZINC000335767219 386909352 /nfs/dbraw/zinc/90/93/52/386909352.db2.gz IFTDRFMQKVVONG-LBPRGKRZSA-N 2 2 239.363 0.681 20 0 BCADLP Cn1c[nH+]cc1C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000330902126 386921127 /nfs/dbraw/zinc/92/11/27/386921127.db2.gz PREFMPAMAFKJER-LLVKDONJSA-N 2 2 225.292 0.003 20 0 BCADLP Cn1c[nH+]cc1C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000330902126 386921133 /nfs/dbraw/zinc/92/11/33/386921133.db2.gz PREFMPAMAFKJER-LLVKDONJSA-N 2 2 225.292 0.003 20 0 BCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccnc1 ZINC000358259813 386921763 /nfs/dbraw/zinc/92/17/63/386921763.db2.gz UYYHMJMZPWBIBQ-WCQYABFASA-N 2 2 235.331 0.799 20 0 BCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccnc1 ZINC000358259813 386921771 /nfs/dbraw/zinc/92/17/71/386921771.db2.gz UYYHMJMZPWBIBQ-WCQYABFASA-N 2 2 235.331 0.799 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)C1 ZINC000417393758 386922597 /nfs/dbraw/zinc/92/25/97/386922597.db2.gz COAPBMJCVCJOQT-NNYUYHANSA-N 2 2 212.337 0.830 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)C1 ZINC000417393758 386922601 /nfs/dbraw/zinc/92/26/01/386922601.db2.gz COAPBMJCVCJOQT-NNYUYHANSA-N 2 2 212.337 0.830 20 0 BCADLP CN1CC[C@@H]([N@@H+]2CCC[C@@H]([NH+](C)C)CC2)C1=O ZINC000335774904 386923171 /nfs/dbraw/zinc/92/31/71/386923171.db2.gz WDMTUUQIYRXAQF-VXGBXAGGSA-N 2 2 239.363 0.633 20 0 BCADLP CN1CC[C@@H]([N@H+]2CCC[C@@H]([NH+](C)C)CC2)C1=O ZINC000335774904 386923180 /nfs/dbraw/zinc/92/31/80/386923180.db2.gz WDMTUUQIYRXAQF-VXGBXAGGSA-N 2 2 239.363 0.633 20 0 BCADLP Cc1n[nH]c(C)c1C[N@@H+](C)C1CC([NH3+])C1 ZINC000334867391 386926740 /nfs/dbraw/zinc/92/67/40/386926740.db2.gz DMJXTTKBZGBTST-UHFFFAOYSA-N 2 2 208.309 0.948 20 0 BCADLP Cc1n[nH]c(C)c1C[N@H+](C)C1CC([NH3+])C1 ZINC000334867391 386926743 /nfs/dbraw/zinc/92/67/43/386926743.db2.gz DMJXTTKBZGBTST-UHFFFAOYSA-N 2 2 208.309 0.948 20 0 BCADLP C[NH+](C)CCCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330947269 386927157 /nfs/dbraw/zinc/92/71/57/386927157.db2.gz HPVHDRNZKRJKCR-UHFFFAOYSA-N 2 2 238.335 0.755 20 0 BCADLP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NC1=[NH+]CCS1 ZINC000368104307 386941136 /nfs/dbraw/zinc/94/11/36/386941136.db2.gz DROBGEQQQSUXKM-RKDXNWHRSA-N 2 2 241.360 0.840 20 0 BCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C[NH+](C)C)C1CC1 ZINC000341714797 386954756 /nfs/dbraw/zinc/95/47/56/386954756.db2.gz FETQEDJVRGVMSC-NSHDSACASA-N 2 2 236.319 0.549 20 0 BCADLP COC[C@H](C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)OC ZINC000358428968 386955252 /nfs/dbraw/zinc/95/52/52/386955252.db2.gz FFJQSVIUZJJUIZ-WXHSDQCUSA-N 2 2 242.363 0.720 20 0 BCADLP COC[C@H](C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)OC ZINC000358428968 386955257 /nfs/dbraw/zinc/95/52/57/386955257.db2.gz FFJQSVIUZJJUIZ-WXHSDQCUSA-N 2 2 242.363 0.720 20 0 BCADLP Cc1cc(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc[nH+]1 ZINC000334826081 386959093 /nfs/dbraw/zinc/95/90/93/386959093.db2.gz RSABNMYZKYJOJW-BXKDBHETSA-N 2 2 248.330 0.931 20 0 BCADLP c1c[nH+]c(C2CC[NH+](CCc3cn[nH]n3)CC2)[nH]1 ZINC000647966263 386992113 /nfs/dbraw/zinc/99/21/13/386992113.db2.gz JAHNUAGMZSGCIJ-UHFFFAOYSA-N 2 2 246.318 0.950 20 0 BCADLP c1c[nH+]c(C2CC[NH+](CCc3c[nH]nn3)CC2)[nH]1 ZINC000647966263 386992117 /nfs/dbraw/zinc/99/21/17/386992117.db2.gz JAHNUAGMZSGCIJ-UHFFFAOYSA-N 2 2 246.318 0.950 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N(C)C1C[NH2+]C1 ZINC000334821219 386950732 /nfs/dbraw/zinc/95/07/32/386950732.db2.gz JTHFYCLNIBOYSA-UHFFFAOYSA-N 2 2 220.276 0.247 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000334821872 386951486 /nfs/dbraw/zinc/95/14/86/386951486.db2.gz NKDDPUAXSVHXFZ-CMPLNLGQSA-N 2 2 248.330 0.931 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N1CC[NH2+]C[C@@H]1C ZINC000334821912 386952141 /nfs/dbraw/zinc/95/21/41/386952141.db2.gz OJNABQOWTKPTBV-JTQLQIEISA-N 2 2 234.303 0.638 20 0 BCADLP C[NH+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000582998161 387041031 /nfs/dbraw/zinc/04/10/31/387041031.db2.gz HAHXTPQAGSJFBH-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP CSC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000514656898 387047475 /nfs/dbraw/zinc/04/74/75/387047475.db2.gz FRBOTOHZLUKJQP-QJPTWQEYSA-N 2 2 244.404 0.879 20 0 BCADLP CSC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000514656898 387047479 /nfs/dbraw/zinc/04/74/79/387047479.db2.gz FRBOTOHZLUKJQP-QJPTWQEYSA-N 2 2 244.404 0.879 20 0 BCADLP CSC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000514656898 387047481 /nfs/dbraw/zinc/04/74/81/387047481.db2.gz FRBOTOHZLUKJQP-QJPTWQEYSA-N 2 2 244.404 0.879 20 0 BCADLP CSC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000514656898 387047484 /nfs/dbraw/zinc/04/74/84/387047484.db2.gz FRBOTOHZLUKJQP-QJPTWQEYSA-N 2 2 244.404 0.879 20 0 BCADLP Cc1n[nH]c(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)n1 ZINC000392390549 387058997 /nfs/dbraw/zinc/05/89/97/387058997.db2.gz UIDZUIPPQRVNIK-GXSJLCMTSA-N 2 2 237.351 0.776 20 0 BCADLP Cc1nc(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)n[nH]1 ZINC000392390549 387059000 /nfs/dbraw/zinc/05/90/00/387059000.db2.gz UIDZUIPPQRVNIK-GXSJLCMTSA-N 2 2 237.351 0.776 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]C2(CO)CC2)n1C ZINC000126335340 387015085 /nfs/dbraw/zinc/01/50/85/387015085.db2.gz CFXQGKUDAUXQMY-UHFFFAOYSA-N 2 2 224.308 0.101 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+]Cc2ccccc2)C1 ZINC000203961284 387018481 /nfs/dbraw/zinc/01/84/81/387018481.db2.gz RZOPVGSDTLFSBH-CYBMUJFWSA-N 2 2 220.316 0.843 20 0 BCADLP O[C@@H]1CC[N@@H+](CC[NH2+]Cc2ccccc2)C1 ZINC000203961284 387018486 /nfs/dbraw/zinc/01/84/86/387018486.db2.gz RZOPVGSDTLFSBH-CYBMUJFWSA-N 2 2 220.316 0.843 20 0 BCADLP C[NH+](C)C1CC[NH+](CCOCCO)CC1 ZINC000040229415 387021102 /nfs/dbraw/zinc/02/11/02/387021102.db2.gz GKWZTNCVUYRHRU-UHFFFAOYSA-N 2 2 216.325 0.021 20 0 BCADLP Cn1c[nH+]cc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368965809 387022016 /nfs/dbraw/zinc/02/20/16/387022016.db2.gz MFFHNUXCWRQXBF-ZMLRMANQSA-N 2 2 248.330 0.506 20 0 BCADLP Cn1c[nH+]cc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368965809 387022017 /nfs/dbraw/zinc/02/20/17/387022017.db2.gz MFFHNUXCWRQXBF-ZMLRMANQSA-N 2 2 248.330 0.506 20 0 BCADLP [NH3+]C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000333282459 387025588 /nfs/dbraw/zinc/02/55/88/387025588.db2.gz MRVIPYMXZGTSPO-IJLUTSLNSA-N 3 2 211.353 0.846 20 0 BCADLP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000333282466 387025620 /nfs/dbraw/zinc/02/56/20/387025620.db2.gz MRVIPYMXZGTSPO-UTUOFQBUSA-N 3 2 211.353 0.846 20 0 BCADLP O=C(CC1CC[NH2+]CC1)NCc1[nH]cc[nH+]1 ZINC000070646679 387071885 /nfs/dbraw/zinc/07/18/85/387071885.db2.gz MWLISPJYBXGRRZ-UHFFFAOYSA-N 2 2 222.292 0.416 20 0 BCADLP CNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246352979 387077523 /nfs/dbraw/zinc/07/75/23/387077523.db2.gz WHZKAESKBMCJBS-GHMZBOCLSA-N 2 2 236.319 0.512 20 0 BCADLP CNC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246352979 387077525 /nfs/dbraw/zinc/07/75/25/387077525.db2.gz WHZKAESKBMCJBS-GHMZBOCLSA-N 2 2 236.319 0.512 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCC2CC2)C1 ZINC000111695689 387085743 /nfs/dbraw/zinc/08/57/43/387085743.db2.gz CVHYDVRJHQMMIE-PWSUYJOCSA-N 2 2 239.363 0.572 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000111695689 387085748 /nfs/dbraw/zinc/08/57/48/387085748.db2.gz CVHYDVRJHQMMIE-PWSUYJOCSA-N 2 2 239.363 0.572 20 0 BCADLP c1nc2cnccn2c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359456463 387103803 /nfs/dbraw/zinc/10/38/03/387103803.db2.gz GNNNXFDZKZNKJK-PHIMTYICSA-N 2 2 243.314 0.381 20 0 BCADLP c1nc2cnccn2c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359456463 387103808 /nfs/dbraw/zinc/10/38/08/387103808.db2.gz GNNNXFDZKZNKJK-PHIMTYICSA-N 2 2 243.314 0.381 20 0 BCADLP C[NH+](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000370427544 387116391 /nfs/dbraw/zinc/11/63/91/387116391.db2.gz GPNAFBYBENSIQY-SNVBAGLBSA-N 2 2 236.319 0.123 20 0 BCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000072361164 387125122 /nfs/dbraw/zinc/12/51/22/387125122.db2.gz FZCDGMLDYHALLN-SNVBAGLBSA-N 2 2 236.319 0.160 20 0 BCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000072361164 387125127 /nfs/dbraw/zinc/12/51/27/387125127.db2.gz FZCDGMLDYHALLN-SNVBAGLBSA-N 2 2 236.319 0.160 20 0 BCADLP CN(CCn1cc[nH+]c1)CC[N@@H+](C)C1CC1 ZINC000186765738 387132345 /nfs/dbraw/zinc/13/23/45/387132345.db2.gz VOPBESIOGHMFNO-UHFFFAOYSA-N 2 2 222.336 0.909 20 0 BCADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCN(CCOC)C1 ZINC000423299715 387128793 /nfs/dbraw/zinc/12/87/93/387128793.db2.gz QMXXUDPJXFZRCC-CHWSQXEVSA-N 2 2 243.395 0.814 20 0 BCADLP C[NH+](C)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000571810074 387167264 /nfs/dbraw/zinc/16/72/64/387167264.db2.gz GQTYXCFNYYDQAK-UHFFFAOYSA-N 2 2 210.281 0.323 20 0 BCADLP COCC[NH2+]CC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000423343406 387193414 /nfs/dbraw/zinc/19/34/14/387193414.db2.gz WFTHNJBYIWLJNB-GMTAPVOTSA-N 2 2 216.325 0.378 20 0 BCADLP C[NH2+][C@@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000571819655 387177724 /nfs/dbraw/zinc/17/77/24/387177724.db2.gz GTKGBQUNEJJIOY-QMMMGPOBSA-N 2 2 218.260 0.881 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C1CC[NH+](CCO)CC1 ZINC000353346132 387185727 /nfs/dbraw/zinc/18/57/27/387185727.db2.gz DBAXUXIOIPPTBU-UHFFFAOYSA-N 2 2 238.335 0.298 20 0 BCADLP CC[C@@H](Cn1cncn1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000353392450 387191799 /nfs/dbraw/zinc/19/17/99/387191799.db2.gz ZMRABSWNHLZKFV-RYUDHWBXSA-N 2 2 248.334 0.932 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC=C(C)C1 ZINC000565161657 387135159 /nfs/dbraw/zinc/13/51/59/387135159.db2.gz HLMGSQZVHFPCBB-ZDUSSCGKSA-N 2 2 242.363 0.578 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC=C(C)C1 ZINC000565161657 387135163 /nfs/dbraw/zinc/13/51/63/387135163.db2.gz HLMGSQZVHFPCBB-ZDUSSCGKSA-N 2 2 242.363 0.578 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC=C(C)C1 ZINC000565161657 387135167 /nfs/dbraw/zinc/13/51/67/387135167.db2.gz HLMGSQZVHFPCBB-ZDUSSCGKSA-N 2 2 242.363 0.578 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC=C(C)C1 ZINC000565161657 387135173 /nfs/dbraw/zinc/13/51/73/387135173.db2.gz HLMGSQZVHFPCBB-ZDUSSCGKSA-N 2 2 242.363 0.578 20 0 BCADLP O=C1NCC[C@@H]1[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000336315468 387141201 /nfs/dbraw/zinc/14/12/01/387141201.db2.gz LNKBEHVOSNDYAN-NSHDSACASA-N 2 2 234.303 0.478 20 0 BCADLP O=C1NCC[C@@H]1[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000336315468 387141202 /nfs/dbraw/zinc/14/12/02/387141202.db2.gz LNKBEHVOSNDYAN-NSHDSACASA-N 2 2 234.303 0.478 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423358526 387210816 /nfs/dbraw/zinc/21/08/16/387210816.db2.gz NTZPMJAXAXVQGK-TUAOUCFPSA-N 3 2 211.353 0.716 20 0 BCADLP CC(C)OCC[C@@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000571994719 387216852 /nfs/dbraw/zinc/21/68/52/387216852.db2.gz XUWMPIZPWMIQLT-GFCCVEGCSA-N 2 2 241.335 0.649 20 0 BCADLP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000572056567 387225740 /nfs/dbraw/zinc/22/57/40/387225740.db2.gz UKKBESBMEFIVTG-QJPTWQEYSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000572056567 387225744 /nfs/dbraw/zinc/22/57/44/387225744.db2.gz UKKBESBMEFIVTG-QJPTWQEYSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000572056567 387225747 /nfs/dbraw/zinc/22/57/47/387225747.db2.gz UKKBESBMEFIVTG-QJPTWQEYSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000572056567 387225749 /nfs/dbraw/zinc/22/57/49/387225749.db2.gz UKKBESBMEFIVTG-QJPTWQEYSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@]1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCC[NH2+]1 ZINC000423416540 387249311 /nfs/dbraw/zinc/24/93/11/387249311.db2.gz QXMJNIFWMPFBLX-JHJVBQTASA-N 3 2 241.379 0.472 20 0 BCADLP COCC[NH2+]CC[NH2+][C@@H](COC)C(C)C ZINC000423346004 387195097 /nfs/dbraw/zinc/19/50/97/387195097.db2.gz YFFSZSHWCJIEOR-NSHDSACASA-N 2 2 218.341 0.483 20 0 BCADLP COCC[NH2+]CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423345079 387195466 /nfs/dbraw/zinc/19/54/66/387195466.db2.gz XKYZMTFNAYMZSC-NWDGAFQWSA-N 3 2 229.368 0.330 20 0 BCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000353442355 387200889 /nfs/dbraw/zinc/20/08/89/387200889.db2.gz BVQGSPIQXPMOLD-VHSXEESVSA-N 2 2 236.319 0.457 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423348330 387201374 /nfs/dbraw/zinc/20/13/74/387201374.db2.gz SZHDHBOLPHXHHA-UPJWGTAASA-N 3 2 225.380 0.964 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccco1 ZINC000423466973 387314588 /nfs/dbraw/zinc/31/45/88/387314588.db2.gz ABHQNGKCAPTIDQ-QWRGUYRKSA-N 2 2 223.320 0.834 20 0 BCADLP C[NH+](C)CCC[N@H+](C)Cc1cncnc1 ZINC000572166551 387255558 /nfs/dbraw/zinc/25/55/58/387255558.db2.gz DZBAZBOZGNEAKD-UHFFFAOYSA-N 2 2 208.309 0.860 20 0 BCADLP C[NH+](C)CCC[N@@H+](C)Cc1cncnc1 ZINC000572166551 387255560 /nfs/dbraw/zinc/25/55/60/387255560.db2.gz DZBAZBOZGNEAKD-UHFFFAOYSA-N 2 2 208.309 0.860 20 0 BCADLP COc1cccc2c1OC[C@H]([NH2+][C@H]1CC[NH2+]C1)C2 ZINC000643452052 387264499 /nfs/dbraw/zinc/26/44/99/387264499.db2.gz UISDLGLVLQCFFT-NWDGAFQWSA-N 2 2 248.326 0.950 20 0 BCADLP COc1cccc2c1OC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)C2 ZINC000643452051 387265021 /nfs/dbraw/zinc/26/50/21/387265021.db2.gz UISDLGLVLQCFFT-NEPJUHHUSA-N 2 2 248.326 0.950 20 0 BCADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423394209 387278412 /nfs/dbraw/zinc/27/84/12/387278412.db2.gz ROLDASGNJPYMMW-UTUOFQBUSA-N 3 2 213.369 0.962 20 0 BCADLP CN(C)c1cc[nH+]cc1C(=O)NCC[NH+]1CCC1 ZINC000353871593 387286651 /nfs/dbraw/zinc/28/66/51/387286651.db2.gz RDUBRPRRUGHUTP-UHFFFAOYSA-N 2 2 248.330 0.583 20 0 BCADLP c1cn(-c2ccc(C[NH2+]C3COC3)cn2)c[nH+]1 ZINC000372326417 387291245 /nfs/dbraw/zinc/29/12/45/387291245.db2.gz QFLAFTVATRPWOF-UHFFFAOYSA-N 2 2 230.271 0.756 20 0 BCADLP [NH3+][C@@H]1CCC[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000514790872 387293360 /nfs/dbraw/zinc/29/33/60/387293360.db2.gz WBZFYUFQJRFXMZ-NEPJUHHUSA-N 2 2 228.336 0.605 20 0 BCADLP [NH3+][C@@H]1CCC[N@@H+](CCOC[C@@H]2CCCO2)C1 ZINC000514790872 387293366 /nfs/dbraw/zinc/29/33/66/387293366.db2.gz WBZFYUFQJRFXMZ-NEPJUHHUSA-N 2 2 228.336 0.605 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423545336 387368294 /nfs/dbraw/zinc/36/82/94/387368294.db2.gz PEPVRGHOUUHYDR-HTOAHKCRSA-N 3 2 237.391 0.914 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423545336 387368295 /nfs/dbraw/zinc/36/82/95/387368295.db2.gz PEPVRGHOUUHYDR-HTOAHKCRSA-N 3 2 237.391 0.914 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC[NH2+]C1CC1 ZINC000423554197 387372926 /nfs/dbraw/zinc/37/29/26/387372926.db2.gz LKRNSWLWSGEORK-YPMHNXCESA-N 3 2 241.379 0.485 20 0 BCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC[NH2+]C1CC1 ZINC000423554195 387373172 /nfs/dbraw/zinc/37/31/72/387373172.db2.gz LKRNSWLWSGEORK-WCQYABFASA-N 3 2 241.379 0.485 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)[C@@H]1CC1(C)C ZINC000423565346 387377947 /nfs/dbraw/zinc/37/79/47/387377947.db2.gz LRXRAEYOGIRVDR-AXFHLTTASA-N 2 2 212.337 0.999 20 0 BCADLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)[C@@H]1C[C@H]1C ZINC000423569030 387380498 /nfs/dbraw/zinc/38/04/98/387380498.db2.gz MQNZDXPTXKRANL-KXNHARMFSA-N 2 2 212.337 0.999 20 0 BCADLP C[C@H](Cc1ccoc1)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423577451 387381102 /nfs/dbraw/zinc/38/11/02/387381102.db2.gz SHYZKMCAVUOBIB-ZYHUDNBSSA-N 2 2 224.304 0.789 20 0 BCADLP COC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)C1CCCC1 ZINC000423576015 387381111 /nfs/dbraw/zinc/38/11/11/387381111.db2.gz QVQPGSYMLZDUAU-QWHCGFSZSA-N 2 2 242.363 0.770 20 0 BCADLP C[C@H]([NH3+])CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000354067435 387325509 /nfs/dbraw/zinc/32/55/09/387325509.db2.gz AWTRCDQUGCXNOV-JTQLQIEISA-N 2 2 224.308 0.469 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000336512934 387336699 /nfs/dbraw/zinc/33/66/99/387336699.db2.gz WPPBHHDSKUVFFK-NSHDSACASA-N 2 2 239.363 0.811 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000336512934 387336705 /nfs/dbraw/zinc/33/67/05/387336705.db2.gz WPPBHHDSKUVFFK-NSHDSACASA-N 2 2 239.363 0.811 20 0 BCADLP Cc1cnn(C)c1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000286742307 387340449 /nfs/dbraw/zinc/34/04/49/387340449.db2.gz YGSVTMKYKXLQNU-LBPRGKRZSA-N 2 2 240.351 0.131 20 0 BCADLP C[C@@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)[NH+](C)C ZINC000360821719 387353432 /nfs/dbraw/zinc/35/34/32/387353432.db2.gz ZWJUPCFBCIBKSU-YUMQZZPRSA-N 2 2 235.278 0.050 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)[C@H]1CCC[C@H]1O ZINC000352661887 387425303 /nfs/dbraw/zinc/42/53/03/387425303.db2.gz ZLZIFFZQOKJWGB-WDEREUQCSA-N 2 2 209.293 0.728 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)[C@H]1CCC[C@H]1O ZINC000352661887 387425306 /nfs/dbraw/zinc/42/53/06/387425306.db2.gz ZLZIFFZQOKJWGB-WDEREUQCSA-N 2 2 209.293 0.728 20 0 BCADLP CC[C@@H]([NH3+])C(=O)N(C)Cc1[nH+]ccn1C ZINC000037823018 387448808 /nfs/dbraw/zinc/44/88/08/387448808.db2.gz JNLWSTBUZZZAAR-MRVPVSSYSA-N 2 2 210.281 0.116 20 0 BCADLP C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)[C@H]1CCC[NH2+]1 ZINC000643474905 387496276 /nfs/dbraw/zinc/49/62/76/387496276.db2.gz MDAMZZNTSZATSU-WUHRBBMRSA-N 2 2 241.379 0.436 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC(C)(CCOC)C1 ZINC000514680529 387543041 /nfs/dbraw/zinc/54/30/41/387543041.db2.gz ZFYKOHDKGLJTPW-LBPRGKRZSA-N 2 2 244.379 0.657 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(CCOC)C1 ZINC000514680529 387543046 /nfs/dbraw/zinc/54/30/46/387543046.db2.gz ZFYKOHDKGLJTPW-LBPRGKRZSA-N 2 2 244.379 0.657 20 0 BCADLP COC(=O)C[C@@]1([NH2+]Cc2c[nH]cn2)CCOC1 ZINC000361743294 387528600 /nfs/dbraw/zinc/52/86/00/387528600.db2.gz MIXRKOFKXTYJRS-NSHDSACASA-N 2 2 239.275 0.222 20 0 BCADLP COC(=O)C[C@@]1([NH2+]Cc2c[nH+]c[nH]2)CCOC1 ZINC000361743294 387528604 /nfs/dbraw/zinc/52/86/04/387528604.db2.gz MIXRKOFKXTYJRS-NSHDSACASA-N 2 2 239.275 0.222 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H]1CCOC[C@@H]1C ZINC000192741352 387531987 /nfs/dbraw/zinc/53/19/87/387531987.db2.gz LKEPTKZGRUTDAV-RYUDHWBXSA-N 2 2 230.352 0.315 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CCOC[C@@H]1C ZINC000192741352 387531990 /nfs/dbraw/zinc/53/19/90/387531990.db2.gz LKEPTKZGRUTDAV-RYUDHWBXSA-N 2 2 230.352 0.315 20 0 BCADLP COC[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000361795049 387535485 /nfs/dbraw/zinc/53/54/85/387535485.db2.gz CMVOARWYSNKJJJ-RWMBFGLXSA-N 2 2 242.363 0.864 20 0 BCADLP COC[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000361795049 387535488 /nfs/dbraw/zinc/53/54/88/387535488.db2.gz CMVOARWYSNKJJJ-RWMBFGLXSA-N 2 2 242.363 0.864 20 0 BCADLP CCn1nncc1C[NH2+]CCC[NH+]1CCCC1 ZINC000417971284 387538554 /nfs/dbraw/zinc/53/85/54/387538554.db2.gz SJUPCCLOGSPXIV-UHFFFAOYSA-N 2 2 237.351 0.874 20 0 BCADLP CCN(CC)C(=O)C[C@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643506111 387466660 /nfs/dbraw/zinc/46/66/60/387466660.db2.gz KUDGOMZXLRJNQD-NSHDSACASA-N 2 2 241.379 0.975 20 0 BCADLP C[NH2+]CCCN(C)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000424020224 387467611 /nfs/dbraw/zinc/46/76/11/387467611.db2.gz OIQMXVNQYQSSEB-MRVPVSSYSA-N 2 2 235.278 0.052 20 0 BCADLP C[NH2+][C@@H](C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000516193564 387473443 /nfs/dbraw/zinc/47/34/43/387473443.db2.gz NLHYVBIFRYDJBG-JTQLQIEISA-N 2 2 246.314 0.601 20 0 BCADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643508265 387482558 /nfs/dbraw/zinc/48/25/58/387482558.db2.gz ZRZNJFHQZKCTOJ-CMPLNLGQSA-N 3 2 211.353 0.846 20 0 BCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1[nH+]ccn1C ZINC000336630656 387483552 /nfs/dbraw/zinc/48/35/52/387483552.db2.gz GMTNIQWKQUVRIH-WDEREUQCSA-N 2 2 222.336 0.945 20 0 BCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1[nH+]ccn1C ZINC000336630656 387483558 /nfs/dbraw/zinc/48/35/58/387483558.db2.gz GMTNIQWKQUVRIH-WDEREUQCSA-N 2 2 222.336 0.945 20 0 BCADLP C[C@@H](Cn1cccn1)[NH2+]CC[NH2+]C1CC1 ZINC000643507492 387486411 /nfs/dbraw/zinc/48/64/11/387486411.db2.gz GQIXCOGRCYJQFU-JTQLQIEISA-N 2 2 208.309 0.613 20 0 BCADLP CN(CC1CC1)C(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430591769 387629428 /nfs/dbraw/zinc/62/94/28/387629428.db2.gz BRQRSHBUCQHGFL-CYBMUJFWSA-N 2 2 239.363 0.572 20 0 BCADLP CCC[C@H](O)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422713654 387626524 /nfs/dbraw/zinc/62/65/24/387626524.db2.gz PWWSENJXLBMCBJ-AVGNSLFASA-N 2 2 242.363 0.504 20 0 BCADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccnc1 ZINC000037889090 387567495 /nfs/dbraw/zinc/56/74/95/387567495.db2.gz ZUUOCBFUDYMENO-JQWIXIFHSA-N 2 2 223.320 0.655 20 0 BCADLP CN(CC1CC1)C(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430591771 387629816 /nfs/dbraw/zinc/62/98/16/387629816.db2.gz BRQRSHBUCQHGFL-ZDUSSCGKSA-N 2 2 239.363 0.572 20 0 BCADLP NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430651190 387636262 /nfs/dbraw/zinc/63/62/62/387636262.db2.gz VVGHFOWMNSFSGZ-AAEUAGOBSA-N 2 2 247.342 0.884 20 0 BCADLP NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430651190 387636267 /nfs/dbraw/zinc/63/62/67/387636267.db2.gz VVGHFOWMNSFSGZ-AAEUAGOBSA-N 2 2 247.342 0.884 20 0 BCADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C(=O)N1CCCC1 ZINC000400754699 387637721 /nfs/dbraw/zinc/63/77/21/387637721.db2.gz WQFDYDVBMSRICI-SDDRHHMPSA-N 2 2 239.363 0.727 20 0 BCADLP CCCNC(=O)CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422734592 387643382 /nfs/dbraw/zinc/64/33/82/387643382.db2.gz UCLAFGAKDIEAQN-GHMZBOCLSA-N 2 2 227.352 0.490 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCN1CCOCC1 ZINC000422735625 387643859 /nfs/dbraw/zinc/64/38/59/387643859.db2.gz WJKBNCBPLXCSDR-QWHCGFSZSA-N 2 2 241.379 0.296 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1NCCC[NH+]1CCOCC1 ZINC000422735625 387643862 /nfs/dbraw/zinc/64/38/62/387643862.db2.gz WJKBNCBPLXCSDR-QWHCGFSZSA-N 2 2 241.379 0.296 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000422749911 387655909 /nfs/dbraw/zinc/65/59/09/387655909.db2.gz BKTKSYKEPFXKOD-WDEREUQCSA-N 3 2 208.309 0.471 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCn1ccnc1 ZINC000422749911 387655914 /nfs/dbraw/zinc/65/59/14/387655914.db2.gz BKTKSYKEPFXKOD-WDEREUQCSA-N 2 2 208.309 0.471 20 0 BCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000430938535 387662432 /nfs/dbraw/zinc/66/24/32/387662432.db2.gz CBKUOYSAIFZPEP-LLVKDONJSA-N 2 2 225.336 0.183 20 0 BCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000430938535 387662437 /nfs/dbraw/zinc/66/24/37/387662437.db2.gz CBKUOYSAIFZPEP-LLVKDONJSA-N 2 2 225.336 0.183 20 0 BCADLP CNC(=O)c1cccc(C[N@H+](C)[C@@H](C)C[NH3+])c1 ZINC000430929961 387663290 /nfs/dbraw/zinc/66/32/90/387663290.db2.gz YTJFLQJEFRCZCE-JTQLQIEISA-N 2 2 235.331 0.825 20 0 BCADLP CNC(=O)c1cccc(C[N@@H+](C)[C@@H](C)C[NH3+])c1 ZINC000430929961 387663293 /nfs/dbraw/zinc/66/32/93/387663293.db2.gz YTJFLQJEFRCZCE-JTQLQIEISA-N 2 2 235.331 0.825 20 0 BCADLP CCc1noc([C@H](C)[N@@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000430961558 387664721 /nfs/dbraw/zinc/66/47/21/387664721.db2.gz OHSOAPQAYAIGAI-IUCAKERBSA-N 2 2 224.308 0.974 20 0 BCADLP CCc1noc([C@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000430961558 387664724 /nfs/dbraw/zinc/66/47/24/387664724.db2.gz OHSOAPQAYAIGAI-IUCAKERBSA-N 2 2 224.308 0.974 20 0 BCADLP CCc1noc([C@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000430961557 387666614 /nfs/dbraw/zinc/66/66/14/387666614.db2.gz OHSOAPQAYAIGAI-DTWKUNHWSA-N 2 2 224.308 0.974 20 0 BCADLP CCc1noc([C@H](C)[N@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000430961557 387666619 /nfs/dbraw/zinc/66/66/19/387666619.db2.gz OHSOAPQAYAIGAI-DTWKUNHWSA-N 2 2 224.308 0.974 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC2COC2)C[N@@H+]1C1CC1 ZINC000527817719 387707720 /nfs/dbraw/zinc/70/77/20/387707720.db2.gz OQUMBCXEERANSH-MWLCHTKSSA-N 2 2 210.321 0.848 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC2COC2)C[N@H+]1C1CC1 ZINC000527817719 387707723 /nfs/dbraw/zinc/70/77/23/387707723.db2.gz OQUMBCXEERANSH-MWLCHTKSSA-N 2 2 210.321 0.848 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367438707 387709240 /nfs/dbraw/zinc/70/92/40/387709240.db2.gz ORZSHZABKCQJSC-VIFPVBQESA-N 2 2 236.319 0.573 20 0 BCADLP C([NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)C1CC1 ZINC000422817963 387714980 /nfs/dbraw/zinc/71/49/80/387714980.db2.gz IXGSLWBZESBLOY-VXGBXAGGSA-N 2 2 210.321 0.753 20 0 BCADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000643522747 387721358 /nfs/dbraw/zinc/72/13/58/387721358.db2.gz BYUAIRTXCAABAM-QJPTWQEYSA-N 3 2 211.353 0.859 20 0 BCADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000643522750 387721576 /nfs/dbraw/zinc/72/15/76/387721576.db2.gz BYUAIRTXCAABAM-TUAOUCFPSA-N 3 2 211.353 0.859 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H](C[NH3+])CC(C)C)c[nH+]1 ZINC000422831173 387724080 /nfs/dbraw/zinc/72/40/80/387724080.db2.gz JGFKEFPWDXYECO-SECBINFHSA-N 2 2 224.308 0.821 20 0 BCADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422852229 387738009 /nfs/dbraw/zinc/73/80/09/387738009.db2.gz XSDVHFYMTWFICM-STQMWFEESA-N 3 2 243.395 0.685 20 0 BCADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422852229 387738014 /nfs/dbraw/zinc/73/80/14/387738014.db2.gz XSDVHFYMTWFICM-STQMWFEESA-N 3 2 243.395 0.685 20 0 BCADLP COCC[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422852227 387738838 /nfs/dbraw/zinc/73/88/38/387738838.db2.gz XSDVHFYMTWFICM-OLZOCXBDSA-N 3 2 243.395 0.685 20 0 BCADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422852227 387738844 /nfs/dbraw/zinc/73/88/44/387738844.db2.gz XSDVHFYMTWFICM-OLZOCXBDSA-N 3 2 243.395 0.685 20 0 BCADLP CC(C)N1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1=O ZINC000422920450 387775332 /nfs/dbraw/zinc/77/53/32/387775332.db2.gz MBAVMDVMCYXQJV-UTUOFQBUSA-N 2 2 239.363 0.583 20 0 BCADLP CC(C)N1C[C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CC1=O ZINC000422918921 387776330 /nfs/dbraw/zinc/77/63/30/387776330.db2.gz IZTJYVHPDZEHQF-SDDRHHMPSA-N 2 2 239.363 0.726 20 0 BCADLP CC(C)N1C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CC1=O ZINC000422918923 387776341 /nfs/dbraw/zinc/77/63/41/387776341.db2.gz IZTJYVHPDZEHQF-TUAOUCFPSA-N 2 2 239.363 0.726 20 0 BCADLP CC(C)NC(=O)CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422934068 387783510 /nfs/dbraw/zinc/78/35/10/387783510.db2.gz FCTDPWOPBDCFHZ-GHMZBOCLSA-N 2 2 227.352 0.489 20 0 BCADLP CCn1nncc1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000527918755 387788374 /nfs/dbraw/zinc/78/83/74/387788374.db2.gz DHJVDINMVLHJFO-CMPLNLGQSA-N 2 2 237.351 0.728 20 0 BCADLP CCn1nncc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000527918755 387788377 /nfs/dbraw/zinc/78/83/77/387788377.db2.gz DHJVDINMVLHJFO-CMPLNLGQSA-N 2 2 237.351 0.728 20 0 BCADLP CCc1nn(C)cc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422985341 387796230 /nfs/dbraw/zinc/79/62/30/387796230.db2.gz DGQKOSYDZLVLKL-CMPLNLGQSA-N 2 2 222.336 0.952 20 0 BCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000527982437 387799292 /nfs/dbraw/zinc/79/92/92/387799292.db2.gz RLSDEMXEWJYZSA-JTQLQIEISA-N 2 2 247.302 0.593 20 0 BCADLP C[C@H]([NH3+])C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000442666047 387808607 /nfs/dbraw/zinc/80/86/07/387808607.db2.gz SBITVRVUJKJPDG-VIFPVBQESA-N 2 2 225.336 0.324 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000442655599 387810837 /nfs/dbraw/zinc/81/08/37/387810837.db2.gz CULLPKFCLDALQR-WDEREUQCSA-N 2 2 249.362 0.751 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000442655599 387810839 /nfs/dbraw/zinc/81/08/39/387810839.db2.gz CULLPKFCLDALQR-WDEREUQCSA-N 2 2 249.362 0.751 20 0 BCADLP C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422958269 387810925 /nfs/dbraw/zinc/81/09/25/387810925.db2.gz OXMSGYLECSQJHU-VWYCJHECSA-N 2 2 225.336 0.337 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000442650374 387811688 /nfs/dbraw/zinc/81/16/88/387811688.db2.gz PBLDIFYHPHFPFH-QWHCGFSZSA-N 2 2 241.379 0.520 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000442650374 387811692 /nfs/dbraw/zinc/81/16/92/387811692.db2.gz PBLDIFYHPHFPFH-QWHCGFSZSA-N 2 2 241.379 0.520 20 0 BCADLP Cc1nc(C[C@H]2CCC[N@@H+](C[C@@H](C)[NH3+])C2)no1 ZINC000442665763 387819770 /nfs/dbraw/zinc/81/97/70/387819770.db2.gz NUTDYJAYRGZJMY-MWLCHTKSSA-N 2 2 238.335 0.980 20 0 BCADLP Cc1nc(C[C@H]2CCC[N@H+](C[C@@H](C)[NH3+])C2)no1 ZINC000442665763 387819773 /nfs/dbraw/zinc/81/97/73/387819773.db2.gz NUTDYJAYRGZJMY-MWLCHTKSSA-N 2 2 238.335 0.980 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528011677 387823495 /nfs/dbraw/zinc/82/34/95/387823495.db2.gz MSMLMFZCJXTTFN-JQWIXIFHSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528011677 387823498 /nfs/dbraw/zinc/82/34/98/387823498.db2.gz MSMLMFZCJXTTFN-JQWIXIFHSA-N 2 2 239.363 0.857 20 0 BCADLP Cc1nnsc1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000313302342 387826154 /nfs/dbraw/zinc/82/61/54/387826154.db2.gz PRVXPWIJFLUPDQ-UHFFFAOYSA-N 2 2 237.332 0.912 20 0 BCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccncc1 ZINC000442757583 387834390 /nfs/dbraw/zinc/83/43/90/387834390.db2.gz MLXYYLBISNCDMF-GHMZBOCLSA-N 2 2 248.330 0.111 20 0 BCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccncc1 ZINC000442757583 387834397 /nfs/dbraw/zinc/83/43/97/387834397.db2.gz MLXYYLBISNCDMF-GHMZBOCLSA-N 2 2 248.330 0.111 20 0 BCADLP Cc1cnc(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)nc1 ZINC000423017340 387841498 /nfs/dbraw/zinc/84/14/98/387841498.db2.gz WBVLNCKFXNFQFO-NEPJUHHUSA-N 2 2 234.347 0.915 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000423075740 387873773 /nfs/dbraw/zinc/87/37/73/387873773.db2.gz XSYFXSVQYJSBMQ-VXGBXAGGSA-N 3 2 229.368 0.152 20 0 BCADLP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000433009475 387848908 /nfs/dbraw/zinc/84/89/08/387848908.db2.gz UFPRKXXNBBGGSG-WRWGMCAJSA-N 2 2 240.347 0.868 20 0 BCADLP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000433009475 387848915 /nfs/dbraw/zinc/84/89/15/387848915.db2.gz UFPRKXXNBBGGSG-WRWGMCAJSA-N 2 2 240.347 0.868 20 0 BCADLP COC[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000433007113 387849106 /nfs/dbraw/zinc/84/91/06/387849106.db2.gz UERBQPUEXUQILZ-QWHCGFSZSA-N 2 2 242.363 0.864 20 0 BCADLP Cc1ncc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c(=O)[nH]1 ZINC000423035633 387851565 /nfs/dbraw/zinc/85/15/65/387851565.db2.gz SCWCSRVFZCLXQQ-KCJUWKMLSA-N 2 2 236.319 0.578 20 0 BCADLP COC[C@@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)OC ZINC000423038475 387853232 /nfs/dbraw/zinc/85/32/32/387853232.db2.gz CWQZUZILKJPMAU-UTUOFQBUSA-N 2 2 230.352 0.768 20 0 BCADLP C[NH+](C)CC(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000062622718 387854613 /nfs/dbraw/zinc/85/46/13/387854613.db2.gz OSTNQYDENQZVJD-CYBMUJFWSA-N 2 2 247.342 0.721 20 0 BCADLP CC(C)OCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423041903 387855287 /nfs/dbraw/zinc/85/52/87/387855287.db2.gz YBXIPMJGZMKCLU-QWRGUYRKSA-N 2 2 200.326 0.999 20 0 BCADLP CCOC(=O)[C@H](CC)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193602342 387856252 /nfs/dbraw/zinc/85/62/52/387856252.db2.gz QJFAVZXSFNEHKS-TUAOUCFPSA-N 2 2 240.347 0.822 20 0 BCADLP CCOC(=O)[C@H](CC)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193602342 387856256 /nfs/dbraw/zinc/85/62/56/387856256.db2.gz QJFAVZXSFNEHKS-TUAOUCFPSA-N 2 2 240.347 0.822 20 0 BCADLP CCOC(=O)[C@H](CC)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193602342 387856258 /nfs/dbraw/zinc/85/62/58/387856258.db2.gz QJFAVZXSFNEHKS-TUAOUCFPSA-N 2 2 240.347 0.822 20 0 BCADLP CCOC(=O)[C@H](CC)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193602342 387856261 /nfs/dbraw/zinc/85/62/61/387856261.db2.gz QJFAVZXSFNEHKS-TUAOUCFPSA-N 2 2 240.347 0.822 20 0 BCADLP COC[C@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)OC ZINC000423051122 387859692 /nfs/dbraw/zinc/85/96/92/387859692.db2.gz ZWBUMPPAGSVXSY-VWYCJHECSA-N 2 2 216.325 0.235 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193658049 387860291 /nfs/dbraw/zinc/86/02/91/387860291.db2.gz LUTRKPUJBRIFTO-TXEJJXNPSA-N 2 2 239.363 0.252 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193658049 387860295 /nfs/dbraw/zinc/86/02/95/387860295.db2.gz LUTRKPUJBRIFTO-TXEJJXNPSA-N 2 2 239.363 0.252 20 0 BCADLP CC(C)CNC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193658049 387860299 /nfs/dbraw/zinc/86/02/99/387860299.db2.gz LUTRKPUJBRIFTO-TXEJJXNPSA-N 2 2 239.363 0.252 20 0 BCADLP CC(C)CNC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193658049 387860303 /nfs/dbraw/zinc/86/03/03/387860303.db2.gz LUTRKPUJBRIFTO-TXEJJXNPSA-N 2 2 239.363 0.252 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534898 387861538 /nfs/dbraw/zinc/86/15/38/387861538.db2.gz FJWGISXWDRJDHL-WOPDTQHZSA-N 3 2 223.364 0.668 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534898 387861541 /nfs/dbraw/zinc/86/15/41/387861541.db2.gz FJWGISXWDRJDHL-WOPDTQHZSA-N 3 2 223.364 0.668 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534895 387861597 /nfs/dbraw/zinc/86/15/97/387861597.db2.gz FJWGISXWDRJDHL-GRYCIOLGSA-N 3 2 223.364 0.668 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534895 387861601 /nfs/dbraw/zinc/86/16/01/387861601.db2.gz FJWGISXWDRJDHL-GRYCIOLGSA-N 3 2 223.364 0.668 20 0 BCADLP CC(C)(O)CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423057975 387864013 /nfs/dbraw/zinc/86/40/13/387864013.db2.gz BDJDNYKHVJUTAE-RYUDHWBXSA-N 2 2 242.363 0.504 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000442656080 387815112 /nfs/dbraw/zinc/81/51/12/387815112.db2.gz DLVYBSPEKWZWSI-NEPJUHHUSA-N 2 2 249.362 0.724 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000442656080 387815114 /nfs/dbraw/zinc/81/51/14/387815114.db2.gz DLVYBSPEKWZWSI-NEPJUHHUSA-N 2 2 249.362 0.724 20 0 BCADLP CCCC(=O)NC[C@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000442660791 387817176 /nfs/dbraw/zinc/81/71/76/387817176.db2.gz MSPUJLLDCBUXPV-NWDGAFQWSA-N 2 2 241.379 0.962 20 0 BCADLP CCCC(=O)NC[C@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000442660791 387817180 /nfs/dbraw/zinc/81/71/80/387817180.db2.gz MSPUJLLDCBUXPV-NWDGAFQWSA-N 2 2 241.379 0.962 20 0 BCADLP Cc1cc(C[NH+]2CCN(C[C@H](C)[NH3+])CC2)on1 ZINC000442665420 387817763 /nfs/dbraw/zinc/81/77/63/387817763.db2.gz ZRVAZYYIAKYZLS-JTQLQIEISA-N 2 2 238.335 0.448 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CC1(C[NH3+])CC1 ZINC000564080530 387819662 /nfs/dbraw/zinc/81/96/62/387819662.db2.gz KTTNBCKNCNRWOC-JTQLQIEISA-N 2 2 236.319 0.517 20 0 BCADLP [NH3+]CCCC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424182568 387896641 /nfs/dbraw/zinc/89/66/41/387896641.db2.gz ZRWJUQAITURJLA-MRVPVSSYSA-N 2 2 235.278 0.086 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCOCC(F)F ZINC000423072934 387875086 /nfs/dbraw/zinc/87/50/86/387875086.db2.gz QQFZJWAHLIBVBL-RKDXNWHRSA-N 2 2 222.279 0.856 20 0 BCADLP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424182157 387898262 /nfs/dbraw/zinc/89/82/62/387898262.db2.gz YSAUEMBGRDBEMF-DTWKUNHWSA-N 2 2 249.305 0.331 20 0 BCADLP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538755 387877855 /nfs/dbraw/zinc/87/78/55/387877855.db2.gz UOKUIIBRMGFDCF-DCAQKATOSA-N 3 2 217.332 0.794 20 0 BCADLP CC[C@@H]([NH2+]C[C@@H](O)C(F)F)[C@@H]1CCC[NH2+]1 ZINC000423093812 387885176 /nfs/dbraw/zinc/88/51/76/387885176.db2.gz IMZAUHYUSBJDGY-HRDYMLBCSA-N 2 2 222.279 0.733 20 0 BCADLP C[C@](CO)(C[NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000423099445 387887601 /nfs/dbraw/zinc/88/76/01/387887601.db2.gz ALBVXBOKEIWRCN-ZIAGYGMSSA-N 2 2 234.343 0.888 20 0 BCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](C2CC2)CC1 ZINC000528268750 387889151 /nfs/dbraw/zinc/88/91/51/387889151.db2.gz UJWCQWPCBDWPHD-UHFFFAOYSA-N 2 2 248.330 0.498 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(CO)CCC1 ZINC000643480585 387935936 /nfs/dbraw/zinc/93/59/36/387935936.db2.gz BOMGANODIBZTHC-VXGBXAGGSA-N 2 2 242.363 0.506 20 0 BCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1CCCO1 ZINC000423163892 387938248 /nfs/dbraw/zinc/93/82/48/387938248.db2.gz WBNMYBCBMQGFOT-QJPTWQEYSA-N 2 2 228.336 0.522 20 0 BCADLP CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000423158360 387938859 /nfs/dbraw/zinc/93/88/59/387938859.db2.gz WNELNRXFPQTCRA-WUHRBBMRSA-N 2 2 242.363 0.911 20 0 BCADLP CC[C@@H]([NH2+][C@@H]1CC(=O)N(CC)C1)[C@@H]1CCC[NH2+]1 ZINC000423160612 387941410 /nfs/dbraw/zinc/94/14/10/387941410.db2.gz ZWSSHLVEVTYIOM-UTUOFQBUSA-N 2 2 239.363 0.727 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H]1C1CC1)C1CC1 ZINC000453015298 387962106 /nfs/dbraw/zinc/96/21/06/387962106.db2.gz LPWZVKHBKLRAFH-QWHCGFSZSA-N 2 2 224.348 0.926 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H]1C1CC1)C1CC1 ZINC000453015298 387962108 /nfs/dbraw/zinc/96/21/08/387962108.db2.gz LPWZVKHBKLRAFH-QWHCGFSZSA-N 2 2 224.348 0.926 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H]1C1CC1)C1CC1 ZINC000453015298 387962110 /nfs/dbraw/zinc/96/21/10/387962110.db2.gz LPWZVKHBKLRAFH-QWHCGFSZSA-N 2 2 224.348 0.926 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H]1C1CC1)C1CC1 ZINC000453015298 387962112 /nfs/dbraw/zinc/96/21/12/387962112.db2.gz LPWZVKHBKLRAFH-QWHCGFSZSA-N 2 2 224.348 0.926 20 0 BCADLP CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423184221 387969357 /nfs/dbraw/zinc/96/93/57/387969357.db2.gz NFZQNCGKVPGMTK-MXWKQRLJSA-N 2 2 227.352 0.630 20 0 BCADLP O=C1NCC[C@@H]1[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000245667489 387971701 /nfs/dbraw/zinc/97/17/01/387971701.db2.gz BCACTKXQJMKSFU-NEPJUHHUSA-N 2 2 237.347 0.293 20 0 BCADLP O=C1NCC[C@@H]1[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000245667489 387971705 /nfs/dbraw/zinc/97/17/05/387971705.db2.gz BCACTKXQJMKSFU-NEPJUHHUSA-N 2 2 237.347 0.293 20 0 BCADLP CC[C@@H](Cn1cncn1)[NH2+]CCCn1cc[nH+]c1 ZINC000438838252 387957917 /nfs/dbraw/zinc/95/79/17/387957917.db2.gz UNLVXHOZFMLQOQ-LBPRGKRZSA-N 2 2 248.334 0.933 20 0 BCADLP CC(C)N1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1=O ZINC000424337488 387980794 /nfs/dbraw/zinc/98/07/94/387980794.db2.gz RYOWAJRTIHARRT-IJLUTSLNSA-N 2 2 239.363 0.855 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000424330392 387974941 /nfs/dbraw/zinc/97/49/41/387974941.db2.gz HTOAPASTLJTOKV-ZJUUUORDSA-N 2 2 209.297 0.262 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000424330392 387974942 /nfs/dbraw/zinc/97/49/42/387974942.db2.gz HTOAPASTLJTOKV-ZJUUUORDSA-N 2 2 209.297 0.262 20 0 BCADLP COc1ccnc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000424368473 387992921 /nfs/dbraw/zinc/99/29/21/387992921.db2.gz BITAXLIZZBHKTB-BDAKNGLRSA-N 2 2 224.308 0.701 20 0 BCADLP C[C@H](NCCC[NH+]1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000400511176 387985106 /nfs/dbraw/zinc/98/51/06/387985106.db2.gz FLXCCVAVLKCWPF-STQMWFEESA-N 2 2 241.379 0.439 20 0 BCADLP CN(C)c1ncc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cn1 ZINC000424372951 387997651 /nfs/dbraw/zinc/99/76/51/387997651.db2.gz GCSUBMCBVZNJQB-VXGBXAGGSA-N 2 2 249.362 0.902 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423215326 387997738 /nfs/dbraw/zinc/99/77/38/387997738.db2.gz QJWMBNUWWYDFLR-IJLUTSLNSA-N 3 2 211.353 0.716 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446377108 388016664 /nfs/dbraw/zinc/01/66/64/388016664.db2.gz PHEOOKAYDACXQM-JGVFFNPUSA-N 2 2 226.255 0.034 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CCCn1cc[nH+]c1 ZINC000066147793 388022666 /nfs/dbraw/zinc/02/26/66/388022666.db2.gz LFLXWTXDNQRZTM-VIFPVBQESA-N 2 2 210.281 0.127 20 0 BCADLP CC[NH2+]CC[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000423238582 388023071 /nfs/dbraw/zinc/02/30/71/388023071.db2.gz RCGJBZQFQPIXES-NSHDSACASA-N 2 2 222.336 0.997 20 0 BCADLP C[NH2+]C[C@H](C)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423256201 388037143 /nfs/dbraw/zinc/03/71/43/388037143.db2.gz BMMSIJQCHRXKFI-CYZMBNFOSA-N 3 2 241.379 0.199 20 0 BCADLP COCC[C@@]1([NH2+]CCn2cc[nH+]c2)CCOC1 ZINC000447383764 388067288 /nfs/dbraw/zinc/06/72/88/388067288.db2.gz LEGVABRXUKXXKL-GFCCVEGCSA-N 2 2 239.319 0.668 20 0 BCADLP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423285483 388069863 /nfs/dbraw/zinc/06/98/63/388069863.db2.gz YFXVYQBXCNSFPF-ICCXJUOJSA-N 2 2 223.364 0.796 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCC[C@H]2O)[C@@H](C)C1 ZINC000453402414 388073433 /nfs/dbraw/zinc/07/34/33/388073433.db2.gz FXPUAOWDWUQFPV-WHOHXGKFSA-N 2 2 212.337 0.830 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCC[C@H]2O)[C@@H](C)C1 ZINC000453402414 388073435 /nfs/dbraw/zinc/07/34/35/388073435.db2.gz FXPUAOWDWUQFPV-WHOHXGKFSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000453401851 388073462 /nfs/dbraw/zinc/07/34/62/388073462.db2.gz FJMDKTUJPGZCOH-ZBAXXZLZSA-N 2 2 224.348 0.972 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000453401851 388073465 /nfs/dbraw/zinc/07/34/65/388073465.db2.gz FJMDKTUJPGZCOH-ZBAXXZLZSA-N 2 2 224.348 0.972 20 0 BCADLP Cn1cccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000084224872 388075364 /nfs/dbraw/zinc/07/53/64/388075364.db2.gz LYMSDGURTDUHSM-KGLIPLIRSA-N 2 2 249.358 0.978 20 0 BCADLP Cn1cccc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000084224872 388075367 /nfs/dbraw/zinc/07/53/67/388075367.db2.gz LYMSDGURTDUHSM-KGLIPLIRSA-N 2 2 249.358 0.978 20 0 BCADLP COC(C)(C)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336660181 388091808 /nfs/dbraw/zinc/09/18/08/388091808.db2.gz RJUMBSUWQKKUBQ-NXEZZACHSA-N 2 2 200.326 0.951 20 0 BCADLP COC(C)(C)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336660181 388091809 /nfs/dbraw/zinc/09/18/09/388091809.db2.gz RJUMBSUWQKKUBQ-NXEZZACHSA-N 2 2 200.326 0.951 20 0 BCADLP OC[C@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000447905468 388101446 /nfs/dbraw/zinc/10/14/46/388101446.db2.gz UHXBGAKIHUTDFA-RYUDHWBXSA-N 2 2 239.319 0.403 20 0 BCADLP CC[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000163996244 388122343 /nfs/dbraw/zinc/12/23/43/388122343.db2.gz ZENHJIDROXTYSW-OUAUKWLOSA-N 2 2 212.337 0.972 20 0 BCADLP CC[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000163996244 388122345 /nfs/dbraw/zinc/12/23/45/388122345.db2.gz ZENHJIDROXTYSW-OUAUKWLOSA-N 2 2 212.337 0.972 20 0 BCADLP CCC[NH2+][C@@H](C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000449105900 388143002 /nfs/dbraw/zinc/14/30/02/388143002.db2.gz FPRXSTPFIINCIJ-NSHDSACASA-N 2 2 239.363 0.681 20 0 BCADLP CCn1nccc1C[N@H+](C)CCC[NH2+]C ZINC000164892313 388249643 /nfs/dbraw/zinc/24/96/43/388249643.db2.gz LFXHDXFXOROGMS-UHFFFAOYSA-N 2 2 210.325 0.944 20 0 BCADLP CCn1nccc1C[N@@H+](C)CCC[NH2+]C ZINC000164892313 388249645 /nfs/dbraw/zinc/24/96/45/388249645.db2.gz LFXHDXFXOROGMS-UHFFFAOYSA-N 2 2 210.325 0.944 20 0 BCADLP C[NH+](C)C1(CNCc2[nH]cc[nH+]2)CCC1 ZINC000165174163 388251977 /nfs/dbraw/zinc/25/19/77/388251977.db2.gz RDRWWJXCFSUCEC-UHFFFAOYSA-N 2 2 208.309 0.984 20 0 BCADLP C[C@@H](C(=O)N(C)Cc1[nH]cc[nH+]1)[C@H](C)[NH3+] ZINC000165490252 388253122 /nfs/dbraw/zinc/25/31/22/388253122.db2.gz VVRDXWPFDRHNCS-SFYZADRCSA-N 2 2 210.281 0.351 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC(C)(C)CO ZINC000449409256 388189684 /nfs/dbraw/zinc/18/96/84/388189684.db2.gz SFDHBEUQVOYUFE-MNOVXSKESA-N 2 2 214.353 0.935 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC(C)(C)CO ZINC000449409256 388189685 /nfs/dbraw/zinc/18/96/85/388189685.db2.gz SFDHBEUQVOYUFE-MNOVXSKESA-N 2 2 214.353 0.935 20 0 BCADLP Cc1c[nH+]c(CN2C[C@H]3CC[N@H+](C)[C@H]3C2)n1C ZINC000449519504 388222606 /nfs/dbraw/zinc/22/26/06/388222606.db2.gz CUWHUKRHDSEHFK-NEPJUHHUSA-N 2 2 234.347 0.864 20 0 BCADLP Cc1c[nH+]c(CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)n1C ZINC000449519504 388222607 /nfs/dbraw/zinc/22/26/07/388222607.db2.gz CUWHUKRHDSEHFK-NEPJUHHUSA-N 2 2 234.347 0.864 20 0 BCADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)CC[C@@H]1O ZINC000164672661 388243998 /nfs/dbraw/zinc/24/39/98/388243998.db2.gz XDELYXDOGPCCFQ-MNOVXSKESA-N 2 2 209.293 0.586 20 0 BCADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CC[C@@H]1O ZINC000164672661 388243999 /nfs/dbraw/zinc/24/39/99/388243999.db2.gz XDELYXDOGPCCFQ-MNOVXSKESA-N 2 2 209.293 0.586 20 0 BCADLP C[N@H+](CC(=O)NCCn1cc[nH+]c1)C1CCC1 ZINC000629949221 388245750 /nfs/dbraw/zinc/24/57/50/388245750.db2.gz XYJNSDPSJHIYGW-UHFFFAOYSA-N 2 2 236.319 0.484 20 0 BCADLP C[N@@H+](CC(=O)NCCn1cc[nH+]c1)C1CCC1 ZINC000629949221 388245752 /nfs/dbraw/zinc/24/57/52/388245752.db2.gz XYJNSDPSJHIYGW-UHFFFAOYSA-N 2 2 236.319 0.484 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)/C=C\C[NH+](C)C ZINC000491863268 388325269 /nfs/dbraw/zinc/32/52/69/388325269.db2.gz DATHXQHNZQVHNP-PLNGDYQASA-N 2 2 222.292 0.486 20 0 BCADLP [NH3+]C1(CC(=O)Nc2cc[nH+]cc2O)CCC1 ZINC000645952758 388267449 /nfs/dbraw/zinc/26/74/49/388267449.db2.gz PUFMXOJTTPHIGP-UHFFFAOYSA-N 2 2 221.260 0.419 20 0 BCADLP [NH3+]CC1(CC(=O)NCCNc2cccc[nH+]2)CC1 ZINC000516567402 388349348 /nfs/dbraw/zinc/34/93/48/388349348.db2.gz CYYDADDZKJUTIR-UHFFFAOYSA-N 2 2 248.330 0.739 20 0 BCADLP Cc1cc(CNC(=O)COCC[NH3+])cc(C)[nH+]1 ZINC000646388496 388349641 /nfs/dbraw/zinc/34/96/41/388349641.db2.gz IUGCYSWLBSPTDF-UHFFFAOYSA-N 2 2 237.303 0.290 20 0 BCADLP COc1c(N)[nH+]cnc1N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000568532070 388356157 /nfs/dbraw/zinc/35/61/57/388356157.db2.gz YBAMCYGYFUPXPH-DTORHVGOSA-N 2 2 249.318 0.065 20 0 BCADLP COc1c(N)[nH+]cnc1N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000568532070 388356160 /nfs/dbraw/zinc/35/61/60/388356160.db2.gz YBAMCYGYFUPXPH-DTORHVGOSA-N 2 2 249.318 0.065 20 0 BCADLP COc1c(N)nc[nH+]c1N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000568532070 388356161 /nfs/dbraw/zinc/35/61/61/388356161.db2.gz YBAMCYGYFUPXPH-DTORHVGOSA-N 2 2 249.318 0.065 20 0 BCADLP COc1c(N)nc[nH+]c1N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000568532070 388356163 /nfs/dbraw/zinc/35/61/63/388356163.db2.gz YBAMCYGYFUPXPH-DTORHVGOSA-N 2 2 249.318 0.065 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+]Cc1cnn(C)n1 ZINC000293438757 388389236 /nfs/dbraw/zinc/38/92/36/388389236.db2.gz BSWHINRAOZOCCF-UHFFFAOYSA-N 2 2 220.280 0.110 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)COC)C1 ZINC000308500528 388440442 /nfs/dbraw/zinc/44/04/42/388440442.db2.gz GGQCAVLAUSZRAK-MXWKQRLJSA-N 2 2 200.326 0.951 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)COC)C1 ZINC000308500528 388440445 /nfs/dbraw/zinc/44/04/45/388440445.db2.gz GGQCAVLAUSZRAK-MXWKQRLJSA-N 2 2 200.326 0.951 20 0 BCADLP COC(=O)CCC[NH2+]C(C)(C)C[NH+](C)C ZINC000308580712 388443302 /nfs/dbraw/zinc/44/33/02/388443302.db2.gz WIUWLFHIWJLBGZ-UHFFFAOYSA-N 2 2 216.325 0.869 20 0 BCADLP C[NH+](C)CC(C)(C)[NH2+]C[C@@H]1CCOC1 ZINC000308610016 388444054 /nfs/dbraw/zinc/44/40/54/388444054.db2.gz VUXNJVQZWNQHDT-JTQLQIEISA-N 2 2 200.326 0.953 20 0 BCADLP C[NH+](C)CC(C)(C)[NH2+]C[C@H]1CCOC1 ZINC000308610019 388445324 /nfs/dbraw/zinc/44/53/24/388445324.db2.gz VUXNJVQZWNQHDT-SNVBAGLBSA-N 2 2 200.326 0.953 20 0 BCADLP Cn1c[nH+]cc1CC(=O)NCC[N@H+]1CC=CCC1 ZINC000526026387 388455125 /nfs/dbraw/zinc/45/51/25/388455125.db2.gz HUPHHJAJKPCYOA-UHFFFAOYSA-N 2 2 248.330 0.341 20 0 BCADLP Cn1c[nH+]cc1CC(=O)NCC[N@@H+]1CC=CCC1 ZINC000526026387 388455128 /nfs/dbraw/zinc/45/51/28/388455128.db2.gz HUPHHJAJKPCYOA-UHFFFAOYSA-N 2 2 248.330 0.341 20 0 BCADLP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000336268641 388456288 /nfs/dbraw/zinc/45/62/88/388456288.db2.gz ZUXOZINYIKLTSO-NWDGAFQWSA-N 3 2 211.353 0.657 20 0 BCADLP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000336268641 388456290 /nfs/dbraw/zinc/45/62/90/388456290.db2.gz ZUXOZINYIKLTSO-NWDGAFQWSA-N 3 2 211.353 0.657 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000336268327 388456630 /nfs/dbraw/zinc/45/66/30/388456630.db2.gz UUDYIBVLHHKFPR-VXGBXAGGSA-N 3 2 211.353 0.657 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000336268327 388456632 /nfs/dbraw/zinc/45/66/32/388456632.db2.gz UUDYIBVLHHKFPR-VXGBXAGGSA-N 3 2 211.353 0.657 20 0 BCADLP CC[NH+](CC)CC(=O)N1CC[NH+](C)CC1 ZINC000070925295 388461266 /nfs/dbraw/zinc/46/12/66/388461266.db2.gz QFVRZNAQLWMMFM-UHFFFAOYSA-N 2 2 213.325 0.102 20 0 BCADLP C[C@@H]1[C@H](C(=O)Nc2cc[nH+]cc2O)CC[N@@H+]1C ZINC000648842526 388465782 /nfs/dbraw/zinc/46/57/82/388465782.db2.gz AVAJKSIZMBFUEB-RKDXNWHRSA-N 2 2 235.287 0.488 20 0 BCADLP C[C@@H]1[C@H](C(=O)Nc2cc[nH+]cc2O)CC[N@H+]1C ZINC000648842526 388465785 /nfs/dbraw/zinc/46/57/85/388465785.db2.gz AVAJKSIZMBFUEB-RKDXNWHRSA-N 2 2 235.287 0.488 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@](C)(O)C1)C1CC1 ZINC000336716926 388467462 /nfs/dbraw/zinc/46/74/62/388467462.db2.gz QDRIOYFHFKNRGM-CHWSQXEVSA-N 2 2 242.363 0.288 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@](C)(O)C1)C1CC1 ZINC000336716926 388467464 /nfs/dbraw/zinc/46/74/64/388467464.db2.gz QDRIOYFHFKNRGM-CHWSQXEVSA-N 2 2 242.363 0.288 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@](C)(O)C1)C1CC1 ZINC000336716926 388467466 /nfs/dbraw/zinc/46/74/66/388467466.db2.gz QDRIOYFHFKNRGM-CHWSQXEVSA-N 2 2 242.363 0.288 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@](C)(O)C1)C1CC1 ZINC000336716926 388467467 /nfs/dbraw/zinc/46/74/67/388467467.db2.gz QDRIOYFHFKNRGM-CHWSQXEVSA-N 2 2 242.363 0.288 20 0 BCADLP C[C@@H]1C[C@H](C)[N@H+](Cc2cn(C)nn2)C[C@@H]1C[NH3+] ZINC000397439466 388469884 /nfs/dbraw/zinc/46/98/84/388469884.db2.gz DTVYTTJHPWOIRB-VWYCJHECSA-N 2 2 237.351 0.620 20 0 BCADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2cn(C)nn2)C[C@@H]1C[NH3+] ZINC000397439466 388469886 /nfs/dbraw/zinc/46/98/86/388469886.db2.gz DTVYTTJHPWOIRB-VWYCJHECSA-N 2 2 237.351 0.620 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CCSC[C@H]1CCO ZINC000261538708 135176738 /nfs/dbraw/zinc/17/67/38/135176738.db2.gz ZABQKMKAYNKKDJ-SECBINFHSA-N 2 2 218.366 0.524 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CCSC[C@H]1CCO ZINC000261538708 135176739 /nfs/dbraw/zinc/17/67/39/135176739.db2.gz ZABQKMKAYNKKDJ-SECBINFHSA-N 2 2 218.366 0.524 20 0 BCADLP CC[C@H]([NH2+]CCc1nc(C)n[nH]1)[C@@H]1CCC[NH2+]1 ZINC000573082337 388418863 /nfs/dbraw/zinc/41/88/63/388418863.db2.gz RJIHPGKHYZVQEC-QWRGUYRKSA-N 2 2 237.351 0.776 20 0 BCADLP CC[C@H]([NH2+]CCc1n[nH]c(C)n1)[C@@H]1CCC[NH2+]1 ZINC000573082337 388418864 /nfs/dbraw/zinc/41/88/64/388418864.db2.gz RJIHPGKHYZVQEC-QWRGUYRKSA-N 2 2 237.351 0.776 20 0 BCADLP CC[C@H]([NH2+]CCc1nnc(C)[nH]1)[C@@H]1CCC[NH2+]1 ZINC000573082337 388418866 /nfs/dbraw/zinc/41/88/66/388418866.db2.gz RJIHPGKHYZVQEC-QWRGUYRKSA-N 2 2 237.351 0.776 20 0 BCADLP C[N@H+](CC(N)=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353152214 388541247 /nfs/dbraw/zinc/54/12/47/388541247.db2.gz HZZBZHYOFYNVHM-ULKQDVFKSA-N 2 2 211.309 0.029 20 0 BCADLP C[N@@H+](CC(N)=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353152214 388541250 /nfs/dbraw/zinc/54/12/50/388541250.db2.gz HZZBZHYOFYNVHM-ULKQDVFKSA-N 2 2 211.309 0.029 20 0 BCADLP C[NH+](CC(N)=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353152214 388541255 /nfs/dbraw/zinc/54/12/55/388541255.db2.gz HZZBZHYOFYNVHM-ULKQDVFKSA-N 2 2 211.309 0.029 20 0 BCADLP C[NH+](CC(N)=O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353152214 388541258 /nfs/dbraw/zinc/54/12/58/388541258.db2.gz HZZBZHYOFYNVHM-ULKQDVFKSA-N 2 2 211.309 0.029 20 0 BCADLP CCN(C)C(=O)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000576887871 388508804 /nfs/dbraw/zinc/50/88/04/388508804.db2.gz UXDXOIAPZGTKBS-UHFFFAOYSA-N 2 2 224.308 0.296 20 0 BCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000548311855 388528492 /nfs/dbraw/zinc/52/84/92/388528492.db2.gz LDAAITBBUKAGOR-MNOVXSKESA-N 2 2 248.330 0.266 20 0 BCADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000548311855 388528494 /nfs/dbraw/zinc/52/84/94/388528494.db2.gz LDAAITBBUKAGOR-MNOVXSKESA-N 2 2 248.330 0.266 20 0 BCADLP Cc1c[nH+]cn1CC(=O)Nc1cc[nH+]cc1C ZINC000528463884 388529899 /nfs/dbraw/zinc/52/98/99/388529899.db2.gz CCUOKKFQBQBMTL-UHFFFAOYSA-N 2 2 230.271 0.956 20 0 BCADLP Cc1c[nH+]cn1CC(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000528500428 388535392 /nfs/dbraw/zinc/53/53/92/388535392.db2.gz AUODZTHOAJOFJI-LLVKDONJSA-N 2 2 236.319 0.354 20 0 BCADLP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000528500428 388535394 /nfs/dbraw/zinc/53/53/94/388535394.db2.gz AUODZTHOAJOFJI-LLVKDONJSA-N 2 2 236.319 0.354 20 0 BCADLP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2nc3ncccn3n2)C1 ZINC000517041367 388536402 /nfs/dbraw/zinc/53/64/02/388536402.db2.gz OINMFOCEDXXPCJ-ZJUUUORDSA-N 2 2 246.318 0.484 20 0 BCADLP CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000521043681 388560318 /nfs/dbraw/zinc/56/03/18/388560318.db2.gz HINKAIXLXWSPGZ-ZJUUUORDSA-N 2 2 234.365 0.151 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC(C)(COC)C1 ZINC000521643407 388621737 /nfs/dbraw/zinc/62/17/37/388621737.db2.gz DWYBVSUBDFWAEH-NSHDSACASA-N 2 2 230.352 0.267 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(COC)C1 ZINC000521643407 388621742 /nfs/dbraw/zinc/62/17/42/388621742.db2.gz DWYBVSUBDFWAEH-NSHDSACASA-N 2 2 230.352 0.267 20 0 BCADLP C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530226314 388635761 /nfs/dbraw/zinc/63/57/61/388635761.db2.gz ZRLFVURNFSCQJY-ZJUUUORDSA-N 2 2 246.376 0.294 20 0 BCADLP COc1ccc(CC[NH2+][C@H]2CCC[NH2+]C2)cn1 ZINC000530243973 388639136 /nfs/dbraw/zinc/63/91/36/388639136.db2.gz JTINPUCVMYMXEK-LBPRGKRZSA-N 2 2 235.331 0.974 20 0 BCADLP COc1ccc(CC[NH2+][C@@H]2CCC[NH2+]C2)cn1 ZINC000530243972 388639282 /nfs/dbraw/zinc/63/92/82/388639282.db2.gz JTINPUCVMYMXEK-GFCCVEGCSA-N 2 2 235.331 0.974 20 0 BCADLP C[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000222661007 388643122 /nfs/dbraw/zinc/64/31/22/388643122.db2.gz BMAHGAKWGRBMIQ-HBNTYKKESA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000222661007 388643124 /nfs/dbraw/zinc/64/31/24/388643124.db2.gz BMAHGAKWGRBMIQ-HBNTYKKESA-N 2 2 212.337 0.830 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](CC[C@H]2CCCO2)CCO1 ZINC000083525934 388643493 /nfs/dbraw/zinc/64/34/93/388643493.db2.gz XUGKMFGTZNSQHX-GHMZBOCLSA-N 2 2 214.309 0.215 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](CC[C@H]2CCCO2)CCO1 ZINC000083525934 388643496 /nfs/dbraw/zinc/64/34/96/388643496.db2.gz XUGKMFGTZNSQHX-GHMZBOCLSA-N 2 2 214.309 0.215 20 0 BCADLP C[N@@H+]1CCN(C(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000551887141 388645518 /nfs/dbraw/zinc/64/55/18/388645518.db2.gz JZXOLMSYHINTRH-UHFFFAOYSA-N 2 2 236.319 0.436 20 0 BCADLP C[N@H+]1CCN(C(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000551887141 388645521 /nfs/dbraw/zinc/64/55/21/388645521.db2.gz JZXOLMSYHINTRH-UHFFFAOYSA-N 2 2 236.319 0.436 20 0 BCADLP Cn1c[nH+]cc1CC(=O)N1CC[NH+]2CCC1CC2 ZINC000530345343 388651079 /nfs/dbraw/zinc/65/10/79/388651079.db2.gz KYNXKRYCFJFTAX-UHFFFAOYSA-N 2 2 248.330 0.269 20 0 BCADLP C[C@@H]1[C@H](C(=O)NCCn2cc[nH+]c2)CC[N@@H+]1C ZINC000648733115 388755401 /nfs/dbraw/zinc/75/54/01/388755401.db2.gz DBTNEHHMOXVZGA-GHMZBOCLSA-N 2 2 236.319 0.340 20 0 BCADLP C[C@@H]1[C@H](C(=O)NCCn2cc[nH+]c2)CC[N@H+]1C ZINC000648733115 388755405 /nfs/dbraw/zinc/75/54/05/388755405.db2.gz DBTNEHHMOXVZGA-GHMZBOCLSA-N 2 2 236.319 0.340 20 0 BCADLP CC[NH+](CC)CC(=O)N1CC[NH+](C2CC2)CC1 ZINC000127711937 388730319 /nfs/dbraw/zinc/73/03/19/388730319.db2.gz MFNYAAHNYDRLKC-UHFFFAOYSA-N 2 2 239.363 0.635 20 0 BCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[NH+](C)CC1 ZINC000572539890 388792820 /nfs/dbraw/zinc/79/28/20/388792820.db2.gz OSXSQCVWAWEUQS-JTQLQIEISA-N 2 2 236.319 0.362 20 0 BCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[NH+](C)CC1 ZINC000572539890 388792823 /nfs/dbraw/zinc/79/28/23/388792823.db2.gz OSXSQCVWAWEUQS-JTQLQIEISA-N 2 2 236.319 0.362 20 0 BCADLP Cc1noc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000228072108 388769419 /nfs/dbraw/zinc/76/94/19/388769419.db2.gz FFEVPVVVVKKDQP-APPZFPTMSA-N 2 2 210.281 0.547 20 0 BCADLP Cc1noc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000228072108 388769423 /nfs/dbraw/zinc/76/94/23/388769423.db2.gz FFEVPVVVVKKDQP-APPZFPTMSA-N 2 2 210.281 0.547 20 0 BCADLP CCCn1ncnc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252758038 388781512 /nfs/dbraw/zinc/78/15/12/388781512.db2.gz CEULSTVJZCULTM-WDEREUQCSA-N 2 2 237.351 0.857 20 0 BCADLP CCCn1ncnc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252758038 388781514 /nfs/dbraw/zinc/78/15/14/388781514.db2.gz CEULSTVJZCULTM-WDEREUQCSA-N 2 2 237.351 0.857 20 0 BCADLP C[C@H]1C[N@H+](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000555224206 388843466 /nfs/dbraw/zinc/84/34/66/388843466.db2.gz WTXUACMCXJVDSZ-JTQLQIEISA-N 2 2 222.292 0.046 20 0 BCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000555224206 388843468 /nfs/dbraw/zinc/84/34/68/388843468.db2.gz WTXUACMCXJVDSZ-JTQLQIEISA-N 2 2 222.292 0.046 20 0 BCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH+](C)C ZINC000564236088 388820404 /nfs/dbraw/zinc/82/04/04/388820404.db2.gz COAVCGCBPBBTPA-JTQLQIEISA-N 2 2 238.335 0.277 20 0 BCADLP CC[NH+]1CCC([NH2+][C@H](C)C[S@](C)=O)CC1 ZINC000164500021 135380397 /nfs/dbraw/zinc/38/03/97/135380397.db2.gz ALKORMOFBFHADU-MEBBXXQBSA-N 2 2 232.393 0.827 20 0 BCADLP COc1ccnc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)n1 ZINC000564840994 388893528 /nfs/dbraw/zinc/89/35/28/388893528.db2.gz LIFGDPGIOCRPIQ-ZJUUUORDSA-N 2 2 236.319 0.573 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC000129925862 388875909 /nfs/dbraw/zinc/87/59/09/388875909.db2.gz VGKRFNACINBZBD-WDEREUQCSA-N 2 2 241.379 0.973 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CC(=O)NC(C)(C)C)CC[N@H+]1C ZINC000129925862 388875912 /nfs/dbraw/zinc/87/59/12/388875912.db2.gz VGKRFNACINBZBD-WDEREUQCSA-N 2 2 241.379 0.973 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC000129925625 388876585 /nfs/dbraw/zinc/87/65/85/388876585.db2.gz VGKRFNACINBZBD-GHMZBOCLSA-N 2 2 241.379 0.973 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC(=O)NC(C)(C)C)CC[N@H+]1C ZINC000129925625 388876587 /nfs/dbraw/zinc/87/65/87/388876587.db2.gz VGKRFNACINBZBD-GHMZBOCLSA-N 2 2 241.379 0.973 20 0 BCADLP O=C(C[C@H]1CCC[NH2+]1)Nc1cc[nH+]cc1O ZINC000564565514 388879147 /nfs/dbraw/zinc/87/91/47/388879147.db2.gz VYGOFPPDRNCKLB-MRVPVSSYSA-N 2 2 221.260 0.290 20 0 BCADLP CC(C)[C@@H]([NH3+])CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000565251557 388932554 /nfs/dbraw/zinc/93/25/54/388932554.db2.gz XSIBTDAZDLWPLJ-JTQLQIEISA-N 2 2 239.323 0.534 20 0 BCADLP CC(C)[C@@H]([NH3+])CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000565251557 388932550 /nfs/dbraw/zinc/93/25/50/388932550.db2.gz XSIBTDAZDLWPLJ-JTQLQIEISA-N 2 2 239.323 0.534 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(C)OC[C@@H]1C ZINC000565664856 388961638 /nfs/dbraw/zinc/96/16/38/388961638.db2.gz CAMDWDVLXFIYDV-RYUDHWBXSA-N 2 2 244.379 0.798 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC(C)(C)OC[C@@H]1C ZINC000565664856 388961636 /nfs/dbraw/zinc/96/16/36/388961636.db2.gz CAMDWDVLXFIYDV-RYUDHWBXSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000565664856 388961641 /nfs/dbraw/zinc/96/16/41/388961641.db2.gz CAMDWDVLXFIYDV-RYUDHWBXSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000565664856 388961643 /nfs/dbraw/zinc/96/16/43/388961643.db2.gz CAMDWDVLXFIYDV-RYUDHWBXSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)(C)[C@@H]([NH2+]CCn1cc[nH+]c1)C(N)=O ZINC000270817381 389014684 /nfs/dbraw/zinc/01/46/84/389014684.db2.gz ALZIJFYUMLBKOL-VIFPVBQESA-N 2 2 224.308 0.373 20 0 BCADLP CC[C@]1(C(=O)NCc2[nH]c[nH+]c2C)CCC[NH2+]1 ZINC000274637067 389048101 /nfs/dbraw/zinc/04/81/01/389048101.db2.gz SOBMGBZPSFXLJX-GFCCVEGCSA-N 2 2 236.319 0.867 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)C(F)(F)F ZINC000082680988 322825603 /nfs/dbraw/zinc/82/56/03/322825603.db2.gz IXDOAYOJSJQEFD-YUMQZZPRSA-N 2 2 237.225 0.784 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)C(F)(F)F ZINC000082680991 322825663 /nfs/dbraw/zinc/82/56/63/322825663.db2.gz IXDOAYOJSJQEFD-HTQZYQBOSA-N 2 2 237.225 0.784 20 0 BCADLP CNC(=O)C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000274371789 132202729 /nfs/dbraw/zinc/20/27/29/132202729.db2.gz QGVAUPFRNQDOBE-UHFFFAOYSA-N 2 2 248.330 0.258 20 0 BCADLP Cc1nc(N2CC[NH2+]C(C)(C)C2)cc[nH+]1 ZINC000133190896 132237533 /nfs/dbraw/zinc/23/75/33/132237533.db2.gz BWAHWZOOESZASY-UHFFFAOYSA-N 2 2 206.293 0.973 20 0 BCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000050456938 132358870 /nfs/dbraw/zinc/35/88/70/132358870.db2.gz FDKPSOLHOBXWNA-WDEREUQCSA-N 2 2 246.314 0.077 20 0 BCADLP C[NH2+]C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000054935125 132365125 /nfs/dbraw/zinc/36/51/25/132365125.db2.gz LDLSUUIVGPLQAK-UHFFFAOYSA-N 2 2 206.293 0.973 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCCC[C@@H]1O ZINC000252951589 133652208 /nfs/dbraw/zinc/65/22/08/133652208.db2.gz FDEHLRBYMNBKLQ-NDBYEHHHSA-N 2 2 242.363 0.647 20 0 BCADLP CCCC[N@H+](C)CC[NH2+][C@H](C)CC(=O)NC ZINC000167541031 134004327 /nfs/dbraw/zinc/00/43/27/134004327.db2.gz XNVFSXXRUKMNAA-LLVKDONJSA-N 2 2 229.368 0.833 20 0 BCADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)CC(=O)NC ZINC000167541031 134004328 /nfs/dbraw/zinc/00/43/28/134004328.db2.gz XNVFSXXRUKMNAA-LLVKDONJSA-N 2 2 229.368 0.833 20 0 BCADLP C[C@H]1C[N@H+](C)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000335968909 134029213 /nfs/dbraw/zinc/02/92/13/134029213.db2.gz IQHSLDIZNYEVAK-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000335968909 134029214 /nfs/dbraw/zinc/02/92/14/134029214.db2.gz IQHSLDIZNYEVAK-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000336173701 134115907 /nfs/dbraw/zinc/11/59/07/134115907.db2.gz IPFXUIBRNKEBRK-ZWNOBZJWSA-N 2 2 231.299 0.750 20 0 BCADLP C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000168608374 134231683 /nfs/dbraw/zinc/23/16/83/134231683.db2.gz FVWYMBDTTGHWBN-VXGBXAGGSA-N 2 2 239.319 0.355 20 0 BCADLP C[C@@H]1CO[C@@H](CO)C[N@H+]1CCCn1cc[nH+]c1 ZINC000168608374 134231684 /nfs/dbraw/zinc/23/16/84/134231684.db2.gz FVWYMBDTTGHWBN-VXGBXAGGSA-N 2 2 239.319 0.355 20 0 BCADLP CNC(=O)C[NH2+]Cc1c[nH+]cn1C(C)C ZINC000085187827 134248484 /nfs/dbraw/zinc/24/84/84/134248484.db2.gz ATSAYBYZXHMVPD-UHFFFAOYSA-N 2 2 210.281 0.300 20 0 BCADLP CCC[NH+]1CCC([N@H+](C)CC(=O)NCC)CC1 ZINC000177052461 134294108 /nfs/dbraw/zinc/29/41/08/134294108.db2.gz AMYGLXLOXFZLRE-UHFFFAOYSA-N 2 2 241.379 0.929 20 0 BCADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)NCC)CC1 ZINC000177052461 134294109 /nfs/dbraw/zinc/29/41/09/134294109.db2.gz AMYGLXLOXFZLRE-UHFFFAOYSA-N 2 2 241.379 0.929 20 0 BCADLP CCC[NH+]1CCC([N@H+](C)CC(=O)NC)CC1 ZINC000177050538 134294299 /nfs/dbraw/zinc/29/42/99/134294299.db2.gz RYVPMDLRIXOGBQ-UHFFFAOYSA-N 2 2 227.352 0.539 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC000177838506 134303420 /nfs/dbraw/zinc/30/34/20/134303420.db2.gz UPCMJINMZYJHII-RYUDHWBXSA-N 2 2 241.379 0.737 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC000177838506 134303421 /nfs/dbraw/zinc/30/34/21/134303421.db2.gz UPCMJINMZYJHII-RYUDHWBXSA-N 2 2 241.379 0.737 20 0 BCADLP O=C1NCC[C@H]1[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000178204604 134304857 /nfs/dbraw/zinc/30/48/57/134304857.db2.gz BCACTKXQJMKSFU-VXGBXAGGSA-N 2 2 237.347 0.293 20 0 BCADLP O=C1NCC[C@H]1[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000178204604 134304858 /nfs/dbraw/zinc/30/48/58/134304858.db2.gz BCACTKXQJMKSFU-VXGBXAGGSA-N 2 2 237.347 0.293 20 0 BCADLP C[NH2+]CC(=O)NCc1[nH+]ccn1CC(C)C ZINC000178809738 134315056 /nfs/dbraw/zinc/31/50/56/134315056.db2.gz ZNBMZHBKKOLHHK-UHFFFAOYSA-N 2 2 224.308 0.375 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000224562346 134348533 /nfs/dbraw/zinc/34/85/33/134348533.db2.gz DGZANKDIPSFKLX-IQJOONFLSA-N 2 2 225.336 0.323 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000224562346 134348534 /nfs/dbraw/zinc/34/85/34/134348534.db2.gz DGZANKDIPSFKLX-IQJOONFLSA-N 2 2 225.336 0.323 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227073301 134374131 /nfs/dbraw/zinc/37/41/31/134374131.db2.gz AVOYRZPUSJOYDW-WDEREUQCSA-N 2 2 227.352 0.572 20 0 BCADLP CCCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227073301 134374132 /nfs/dbraw/zinc/37/41/32/134374132.db2.gz AVOYRZPUSJOYDW-WDEREUQCSA-N 2 2 227.352 0.572 20 0 BCADLP CC[C@]1(C(=O)NCCn2cc[nH+]c2)CC[NH2+]C1 ZINC000062901038 134458179 /nfs/dbraw/zinc/45/81/79/134458179.db2.gz YAYWUVBNKHGORD-LBPRGKRZSA-N 2 2 236.319 0.389 20 0 BCADLP CCCC[N@H+](CCC[NH2+]C)CC(N)=O ZINC000230895662 135022083 /nfs/dbraw/zinc/02/20/83/135022083.db2.gz TXIDXULVDDSZLV-UHFFFAOYSA-N 2 2 201.314 0.183 20 0 BCADLP CCCC[N@@H+](CCC[NH2+]C)CC(N)=O ZINC000230895662 135022085 /nfs/dbraw/zinc/02/20/85/135022085.db2.gz TXIDXULVDDSZLV-UHFFFAOYSA-N 2 2 201.314 0.183 20 0 BCADLP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)C[C@H](CO)O1 ZINC000248820716 135022266 /nfs/dbraw/zinc/02/22/66/135022266.db2.gz JETLLFCWFWGGEC-JHJVBQTASA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@H](CO)O1 ZINC000248820716 135022268 /nfs/dbraw/zinc/02/22/68/135022268.db2.gz JETLLFCWFWGGEC-JHJVBQTASA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@H](CO)O1 ZINC000248820716 135022271 /nfs/dbraw/zinc/02/22/71/135022271.db2.gz JETLLFCWFWGGEC-JHJVBQTASA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)C[C@H](CO)O1 ZINC000248820716 135022272 /nfs/dbraw/zinc/02/22/72/135022272.db2.gz JETLLFCWFWGGEC-JHJVBQTASA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@H]1CO ZINC000248913384 135025672 /nfs/dbraw/zinc/02/56/72/135025672.db2.gz JLCJANSTBOREBO-NEPJUHHUSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@H]1CO ZINC000248913384 135025675 /nfs/dbraw/zinc/02/56/75/135025675.db2.gz JLCJANSTBOREBO-NEPJUHHUSA-N 2 2 223.320 0.976 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC000072858582 135044011 /nfs/dbraw/zinc/04/40/11/135044011.db2.gz QHKLTNKVWYJMEE-LLVKDONJSA-N 2 2 239.363 0.539 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC000072858582 135044014 /nfs/dbraw/zinc/04/40/14/135044014.db2.gz QHKLTNKVWYJMEE-LLVKDONJSA-N 2 2 239.363 0.539 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC000072858582 135044017 /nfs/dbraw/zinc/04/40/17/135044017.db2.gz QHKLTNKVWYJMEE-LLVKDONJSA-N 2 2 239.363 0.539 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000072858582 135044019 /nfs/dbraw/zinc/04/40/19/135044019.db2.gz QHKLTNKVWYJMEE-LLVKDONJSA-N 2 2 239.363 0.539 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC000072858581 135044086 /nfs/dbraw/zinc/04/40/86/135044086.db2.gz QHKLTNKVWYJMEE-NSHDSACASA-N 2 2 239.363 0.539 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC000072858581 135044090 /nfs/dbraw/zinc/04/40/90/135044090.db2.gz QHKLTNKVWYJMEE-NSHDSACASA-N 2 2 239.363 0.539 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC000072858581 135044091 /nfs/dbraw/zinc/04/40/91/135044091.db2.gz QHKLTNKVWYJMEE-NSHDSACASA-N 2 2 239.363 0.539 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000072858581 135044094 /nfs/dbraw/zinc/04/40/94/135044094.db2.gz QHKLTNKVWYJMEE-NSHDSACASA-N 2 2 239.363 0.539 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1CCSC1 ZINC000250363806 135052221 /nfs/dbraw/zinc/05/22/21/135052221.db2.gz DUEKSSBKHIGICU-QWRGUYRKSA-N 2 2 229.393 0.327 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CCSC1 ZINC000250363806 135052222 /nfs/dbraw/zinc/05/22/22/135052222.db2.gz DUEKSSBKHIGICU-QWRGUYRKSA-N 2 2 229.393 0.327 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCCSC1 ZINC000250365161 135052224 /nfs/dbraw/zinc/05/22/24/135052224.db2.gz FLFAIAMOUZTQHA-NWDGAFQWSA-N 2 2 243.420 0.717 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCCSC1 ZINC000250365161 135052225 /nfs/dbraw/zinc/05/22/25/135052225.db2.gz FLFAIAMOUZTQHA-NWDGAFQWSA-N 2 2 243.420 0.717 20 0 BCADLP C[C@H]1C[N@H+](Cc2cn3cccnc3n2)CC[C@H]1[NH3+] ZINC000251885878 135079992 /nfs/dbraw/zinc/07/99/92/135079992.db2.gz VDOHBKSYMKKECZ-CMPLNLGQSA-N 2 2 245.330 0.898 20 0 BCADLP C[C@H]1C[N@@H+](Cc2cn3cccnc3n2)CC[C@H]1[NH3+] ZINC000251885878 135079994 /nfs/dbraw/zinc/07/99/94/135079994.db2.gz VDOHBKSYMKKECZ-CMPLNLGQSA-N 2 2 245.330 0.898 20 0 BCADLP CCS(=O)(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886973 135100298 /nfs/dbraw/zinc/10/02/98/135100298.db2.gz JFDYADVEEUXVBQ-ZJUUUORDSA-N 2 2 234.365 0.090 20 0 BCADLP CCS(=O)(=O)CC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886973 135100300 /nfs/dbraw/zinc/10/03/00/135100300.db2.gz JFDYADVEEUXVBQ-ZJUUUORDSA-N 2 2 234.365 0.090 20 0 BCADLP COC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000252712859 135100567 /nfs/dbraw/zinc/10/05/67/135100567.db2.gz NPEFRPYVKBVGFZ-HOSYDEDBSA-N 2 2 228.336 0.209 20 0 BCADLP COC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000252712859 135100568 /nfs/dbraw/zinc/10/05/68/135100568.db2.gz NPEFRPYVKBVGFZ-HOSYDEDBSA-N 2 2 228.336 0.209 20 0 BCADLP C[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000252714389 135101442 /nfs/dbraw/zinc/10/14/42/135101442.db2.gz RVVAOVNJBCLRNK-VWYCJHECSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000252714389 135101444 /nfs/dbraw/zinc/10/14/44/135101444.db2.gz RVVAOVNJBCLRNK-VWYCJHECSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC2)C[N@@H+]1C1CC1 ZINC000252749117 135107797 /nfs/dbraw/zinc/10/77/97/135107797.db2.gz UPNNWGHIUFTQFF-OUAUKWLOSA-N 2 2 210.321 0.990 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC2)C[N@H+]1C1CC1 ZINC000252749117 135107798 /nfs/dbraw/zinc/10/77/98/135107798.db2.gz UPNNWGHIUFTQFF-OUAUKWLOSA-N 2 2 210.321 0.990 20 0 BCADLP CO[C@@H]1CCN(Cc2[nH+]ccn2C)[C@H](C[NH3+])C1 ZINC000252774423 135108715 /nfs/dbraw/zinc/10/87/15/135108715.db2.gz NVSXFVGYQYUTTH-WDEREUQCSA-N 2 2 238.335 0.358 20 0 BCADLP CCOCCC[N@@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000252785561 135109727 /nfs/dbraw/zinc/10/97/27/135109727.db2.gz YSNHJFIZBUFDTF-RYUDHWBXSA-N 2 2 230.352 0.851 20 0 BCADLP CCOCCC[N@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000252785561 135109729 /nfs/dbraw/zinc/10/97/29/135109729.db2.gz YSNHJFIZBUFDTF-RYUDHWBXSA-N 2 2 230.352 0.851 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000252868003 135114339 /nfs/dbraw/zinc/11/43/39/135114339.db2.gz NEJFDSZAHWRNLX-AVGNSLFASA-N 2 2 235.331 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000252868003 135114341 /nfs/dbraw/zinc/11/43/41/135114341.db2.gz NEJFDSZAHWRNLX-AVGNSLFASA-N 2 2 235.331 0.894 20 0 BCADLP C[C@@H]1CC[N@H+](CC(=O)NCC2CC2)C[C@H]1C[NH3+] ZINC000253235705 135124709 /nfs/dbraw/zinc/12/47/09/135124709.db2.gz MVJLHENFASHNCA-ZYHUDNBSSA-N 2 2 239.363 0.429 20 0 BCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C[C@H]1C[NH3+] ZINC000253235705 135124710 /nfs/dbraw/zinc/12/47/10/135124710.db2.gz MVJLHENFASHNCA-ZYHUDNBSSA-N 2 2 239.363 0.429 20 0 BCADLP CCCCNC(=O)C1CC[NH+](CC[NH3+])CC1 ZINC000258764048 135134313 /nfs/dbraw/zinc/13/43/13/135134313.db2.gz PDENIEYNMLCLDC-UHFFFAOYSA-N 2 2 227.352 0.573 20 0 BCADLP C[N@@H+](Cc1cc(F)ccc1F)C[C@@H](O)C[NH3+] ZINC000259060009 135136450 /nfs/dbraw/zinc/13/64/50/135136450.db2.gz QEZITPFGYBSYRY-JTQLQIEISA-N 2 2 230.258 0.716 20 0 BCADLP C[N@H+](Cc1cc(F)ccc1F)C[C@@H](O)C[NH3+] ZINC000259060009 135136452 /nfs/dbraw/zinc/13/64/52/135136452.db2.gz QEZITPFGYBSYRY-JTQLQIEISA-N 2 2 230.258 0.716 20 0 BCADLP Cc1[nH]ncc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261545708 135150321 /nfs/dbraw/zinc/15/03/21/135150321.db2.gz KERXZRKXILKGAW-WPRPVWTQSA-N 2 2 208.309 0.887 20 0 BCADLP Cc1[nH]ncc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261545708 135150322 /nfs/dbraw/zinc/15/03/22/135150322.db2.gz KERXZRKXILKGAW-WPRPVWTQSA-N 2 2 208.309 0.887 20 0 BCADLP C[N@@H+](Cc1noc(C[NH3+])n1)CC1CCC1 ZINC000261531104 135158724 /nfs/dbraw/zinc/15/87/24/135158724.db2.gz FFDDOROSIDFASF-UHFFFAOYSA-N 2 2 210.281 0.760 20 0 BCADLP C[N@H+](Cc1noc(C[NH3+])n1)CC1CCC1 ZINC000261531104 135158726 /nfs/dbraw/zinc/15/87/26/135158726.db2.gz FFDDOROSIDFASF-UHFFFAOYSA-N 2 2 210.281 0.760 20 0 BCADLP Cc1ccc(C[N@H+](CC[NH3+])CCO)cc1 ZINC000261533861 135165540 /nfs/dbraw/zinc/16/55/40/135165540.db2.gz LLUGDLJDSNEYRK-UHFFFAOYSA-N 2 2 208.305 0.748 20 0 BCADLP Cc1ccc(C[N@@H+](CC[NH3+])CCO)cc1 ZINC000261533861 135165542 /nfs/dbraw/zinc/16/55/42/135165542.db2.gz LLUGDLJDSNEYRK-UHFFFAOYSA-N 2 2 208.305 0.748 20 0 BCADLP Cc1ccc(O)c(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)n1 ZINC000261534305 135167247 /nfs/dbraw/zinc/16/72/47/135167247.db2.gz PRCWMBQKJHCJSI-PSASIEDQSA-N 2 2 221.304 0.875 20 0 BCADLP [NH3+]Cc1nc(C[NH+]2C[C@H]3CCC[C@@H]3C2)no1 ZINC000261535214 135169068 /nfs/dbraw/zinc/16/90/68/135169068.db2.gz WOXZHQZRAUVFAR-RKDXNWHRSA-N 2 2 222.292 0.760 20 0 BCADLP C[NH2+]C1CCN(Cc2c[nH+]cn2C)CC1 ZINC000261536109 135171147 /nfs/dbraw/zinc/17/11/47/135171147.db2.gz QJYDWUXYPYVULS-UHFFFAOYSA-N 2 2 208.309 0.604 20 0 BCADLP C[C@H]1CC[N@H+](CC(C)(C)[NH3+])[C@H](C(N)=O)C1 ZINC000261540189 135179464 /nfs/dbraw/zinc/17/94/64/135179464.db2.gz DTNNFCSWIPNODU-IUCAKERBSA-N 2 2 213.325 0.310 20 0 BCADLP C[C@H]1CC[N@@H+](CC(C)(C)[NH3+])[C@H](C(N)=O)C1 ZINC000261540189 135179466 /nfs/dbraw/zinc/17/94/66/135179466.db2.gz DTNNFCSWIPNODU-IUCAKERBSA-N 2 2 213.325 0.310 20 0 BCADLP Cc1ccc(O)c(C[N@@H+](C)[C@@H](C)C[NH3+])n1 ZINC000261544552 135186235 /nfs/dbraw/zinc/18/62/35/135186235.db2.gz JAHTVSDEXZLGOL-VIFPVBQESA-N 2 2 209.293 0.875 20 0 BCADLP Cc1ccc(O)c(C[N@H+](C)[C@@H](C)C[NH3+])n1 ZINC000261544552 135186236 /nfs/dbraw/zinc/18/62/36/135186236.db2.gz JAHTVSDEXZLGOL-VIFPVBQESA-N 2 2 209.293 0.875 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261550277 135189093 /nfs/dbraw/zinc/18/90/93/135189093.db2.gz LDXMISJXRHAEKH-MFKMUULPSA-N 2 2 237.347 0.339 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261550277 135189095 /nfs/dbraw/zinc/18/90/95/135189095.db2.gz LDXMISJXRHAEKH-MFKMUULPSA-N 2 2 237.347 0.339 20 0 BCADLP CC(C)(C)NC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261554531 135194284 /nfs/dbraw/zinc/19/42/84/135194284.db2.gz OVZNLJQIAKAQPP-ZDUSSCGKSA-N 2 2 239.363 0.587 20 0 BCADLP CC(C)(C)NC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261554531 135194286 /nfs/dbraw/zinc/19/42/86/135194286.db2.gz OVZNLJQIAKAQPP-ZDUSSCGKSA-N 2 2 239.363 0.587 20 0 BCADLP C[N@H+](CC(C)(C)C[NH3+])C[C@]1(C)CC[NH2+]C1 ZINC000261554785 135194565 /nfs/dbraw/zinc/19/45/65/135194565.db2.gz UOMVSCVMBZGYLJ-GFCCVEGCSA-N 3 2 213.369 0.903 20 0 BCADLP C[N@@H+](CC(C)(C)C[NH3+])C[C@]1(C)CC[NH2+]C1 ZINC000261554785 135194566 /nfs/dbraw/zinc/19/45/66/135194566.db2.gz UOMVSCVMBZGYLJ-GFCCVEGCSA-N 3 2 213.369 0.903 20 0 BCADLP C[N@H+](C[C@@H]1CCC[NH2+]C1)CC(C)(C)C[NH3+] ZINC000261561218 135201670 /nfs/dbraw/zinc/20/16/70/135201670.db2.gz AMMHEQJMTHZQFF-LLVKDONJSA-N 3 2 213.369 0.903 20 0 BCADLP C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC(C)(C)C[NH3+] ZINC000261561218 135201671 /nfs/dbraw/zinc/20/16/71/135201671.db2.gz AMMHEQJMTHZQFF-LLVKDONJSA-N 3 2 213.369 0.903 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261561546 135202514 /nfs/dbraw/zinc/20/25/14/135202514.db2.gz ASUDMAJSHJNACP-CMPLNLGQSA-N 2 2 227.352 0.572 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261561546 135202515 /nfs/dbraw/zinc/20/25/15/135202515.db2.gz ASUDMAJSHJNACP-CMPLNLGQSA-N 2 2 227.352 0.572 20 0 BCADLP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261562210 135203543 /nfs/dbraw/zinc/20/35/43/135203543.db2.gz WCPWNXCKOPDZOR-CYBMUJFWSA-N 2 2 241.379 0.962 20 0 BCADLP CCC(C)(C)NC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261562210 135203544 /nfs/dbraw/zinc/20/35/44/135203544.db2.gz WCPWNXCKOPDZOR-CYBMUJFWSA-N 2 2 241.379 0.962 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000261565220 135206940 /nfs/dbraw/zinc/20/69/40/135206940.db2.gz CYNDAOQULWSVQY-NXEZZACHSA-N 2 2 213.325 0.311 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000261565220 135206941 /nfs/dbraw/zinc/20/69/41/135206941.db2.gz CYNDAOQULWSVQY-NXEZZACHSA-N 2 2 213.325 0.311 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000261566089 135208239 /nfs/dbraw/zinc/20/82/39/135208239.db2.gz DHINSFUQBVXLLA-VHSXEESVSA-N 2 2 208.309 0.969 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000261566089 135208241 /nfs/dbraw/zinc/20/82/41/135208241.db2.gz DHINSFUQBVXLLA-VHSXEESVSA-N 2 2 208.309 0.969 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261566655 135208870 /nfs/dbraw/zinc/20/88/70/135208870.db2.gz ZKBIIUQNZIJNRQ-VWYCJHECSA-N 2 2 237.347 0.195 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261566655 135208871 /nfs/dbraw/zinc/20/88/71/135208871.db2.gz ZKBIIUQNZIJNRQ-VWYCJHECSA-N 2 2 237.347 0.195 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261568927 135211715 /nfs/dbraw/zinc/21/17/15/135211715.db2.gz FZMRACRQEMRSOU-MNOVXSKESA-N 2 2 220.320 0.461 20 0 BCADLP Cn1ccnc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261568927 135211717 /nfs/dbraw/zinc/21/17/17/135211717.db2.gz FZMRACRQEMRSOU-MNOVXSKESA-N 2 2 220.320 0.461 20 0 BCADLP Cn1ccnc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261568927 135211719 /nfs/dbraw/zinc/21/17/19/135211719.db2.gz FZMRACRQEMRSOU-MNOVXSKESA-N 2 2 220.320 0.461 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000261572017 135213886 /nfs/dbraw/zinc/21/38/86/135213886.db2.gz HZAVZJQRIRODCM-RYUDHWBXSA-N 2 2 220.320 0.604 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000261572017 135213888 /nfs/dbraw/zinc/21/38/88/135213888.db2.gz HZAVZJQRIRODCM-RYUDHWBXSA-N 2 2 220.320 0.604 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000261577667 135218852 /nfs/dbraw/zinc/21/88/52/135218852.db2.gz LHHORRUKIZRLLG-FXQIFTODSA-N 2 2 226.242 0.721 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000261577667 135218853 /nfs/dbraw/zinc/21/88/53/135218853.db2.gz LHHORRUKIZRLLG-FXQIFTODSA-N 2 2 226.242 0.721 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261578187 135219376 /nfs/dbraw/zinc/21/93/76/135219376.db2.gz LNTMSIUSRVECQN-GHMZBOCLSA-N 2 2 225.336 0.054 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261578187 135219378 /nfs/dbraw/zinc/21/93/78/135219378.db2.gz LNTMSIUSRVECQN-GHMZBOCLSA-N 2 2 225.336 0.054 20 0 BCADLP Cn1cnnc1[C@H]1CCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261581881 135222415 /nfs/dbraw/zinc/22/24/15/135222415.db2.gz QWHCUWWMJVSTQR-DGCLKSJQSA-N 2 2 249.362 0.952 20 0 BCADLP Cn1cnnc1[C@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261581881 135222417 /nfs/dbraw/zinc/22/24/17/135222417.db2.gz QWHCUWWMJVSTQR-DGCLKSJQSA-N 2 2 249.362 0.952 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261581261 135222440 /nfs/dbraw/zinc/22/24/40/135222440.db2.gz QMHOXXKNCFICOT-VXGBXAGGSA-N 2 2 248.330 0.484 20 0 BCADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)NC1CC1 ZINC000261582742 135223069 /nfs/dbraw/zinc/22/30/69/135223069.db2.gz OPOOATZYENOHRR-MRVPVSSYSA-N 2 2 211.309 0.125 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+]1CCN1CCCC1=O ZINC000261589367 135230383 /nfs/dbraw/zinc/23/03/83/135230383.db2.gz TWHVJNCWXPWOEH-SNVBAGLBSA-N 2 2 211.309 0.032 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+]1CCN1CCCC1=O ZINC000261589367 135230385 /nfs/dbraw/zinc/23/03/85/135230385.db2.gz TWHVJNCWXPWOEH-SNVBAGLBSA-N 2 2 211.309 0.032 20 0 BCADLP CC(=O)N(C)C1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000261590636 135230935 /nfs/dbraw/zinc/23/09/35/135230935.db2.gz UQRTUWMZXQIAIC-VIFPVBQESA-N 2 2 213.325 0.276 20 0 BCADLP CC(=O)N(C)C1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000261590635 135230940 /nfs/dbraw/zinc/23/09/40/135230940.db2.gz UQRTUWMZXQIAIC-SECBINFHSA-N 2 2 213.325 0.276 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000261592628 135232831 /nfs/dbraw/zinc/23/28/31/135232831.db2.gz VYVIGNFRFCDYIT-UWVGGRQHSA-N 2 2 230.377 0.930 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000261592628 135232832 /nfs/dbraw/zinc/23/28/32/135232832.db2.gz VYVIGNFRFCDYIT-UWVGGRQHSA-N 2 2 230.377 0.930 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261593133 135233575 /nfs/dbraw/zinc/23/35/75/135233575.db2.gz WPRKNVDMPLFNHP-WDEREUQCSA-N 2 2 220.320 0.604 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261593066 135233739 /nfs/dbraw/zinc/23/37/39/135233739.db2.gz WKTMZOUMFHIXCA-LBPRGKRZSA-N 2 2 227.352 0.429 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261593066 135233740 /nfs/dbraw/zinc/23/37/40/135233740.db2.gz WKTMZOUMFHIXCA-LBPRGKRZSA-N 2 2 227.352 0.429 20 0 BCADLP CCCNC(=O)[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000261547914 135241318 /nfs/dbraw/zinc/24/13/18/135241318.db2.gz MUAXWUNOHDDTIO-SECBINFHSA-N 2 2 213.325 0.372 20 0 BCADLP C[N@H+](Cc1cnccn1)C[C@]1(C)CC[NH2+]C1 ZINC000261695757 135246595 /nfs/dbraw/zinc/24/65/95/135246595.db2.gz BIFXWSKLHQOCJT-GFCCVEGCSA-N 2 2 220.320 0.908 20 0 BCADLP C[N@@H+](Cc1cnccn1)C[C@]1(C)CC[NH2+]C1 ZINC000261695757 135246596 /nfs/dbraw/zinc/24/65/96/135246596.db2.gz BIFXWSKLHQOCJT-GFCCVEGCSA-N 2 2 220.320 0.908 20 0 BCADLP C[C@]1(C[NH3+])CC[N@@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000261711356 135247766 /nfs/dbraw/zinc/24/77/66/135247766.db2.gz MMAHGFNYMPTFHZ-TZMCWYRMSA-N 2 2 247.342 0.884 20 0 BCADLP C[C@]1(C[NH3+])CC[N@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000261711356 135247767 /nfs/dbraw/zinc/24/77/67/135247767.db2.gz MMAHGFNYMPTFHZ-TZMCWYRMSA-N 2 2 247.342 0.884 20 0 BCADLP CCNC(=O)C[N@H+](CC)C[C@@]1(C)CC[NH2+]C1 ZINC000261734853 135249271 /nfs/dbraw/zinc/24/92/71/135249271.db2.gz HRWZFPONIIOUSE-LBPRGKRZSA-N 2 2 227.352 0.444 20 0 BCADLP CCNC(=O)C[N@@H+](CC)C[C@@]1(C)CC[NH2+]C1 ZINC000261734853 135249272 /nfs/dbraw/zinc/24/92/72/135249272.db2.gz HRWZFPONIIOUSE-LBPRGKRZSA-N 2 2 227.352 0.444 20 0 BCADLP C[C@@H]([NH3+])CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000261781258 135252663 /nfs/dbraw/zinc/25/26/63/135252663.db2.gz BENUVXMJCLQUHH-MNOVXSKESA-N 2 2 248.330 0.514 20 0 BCADLP CC(C)NC(=O)C[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261778698 135252666 /nfs/dbraw/zinc/25/26/66/135252666.db2.gz NOFAVJSELMKSLN-LBPRGKRZSA-N 2 2 227.352 0.442 20 0 BCADLP CC(C)NC(=O)C[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261778698 135252668 /nfs/dbraw/zinc/25/26/68/135252668.db2.gz NOFAVJSELMKSLN-LBPRGKRZSA-N 2 2 227.352 0.442 20 0 BCADLP C[C@]1(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000261866171 135257940 /nfs/dbraw/zinc/25/79/40/135257940.db2.gz NVFCNIGFBVIVNT-QWRGUYRKSA-N 2 2 246.376 0.105 20 0 BCADLP C[C@]1(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000261866171 135257941 /nfs/dbraw/zinc/25/79/41/135257941.db2.gz NVFCNIGFBVIVNT-QWRGUYRKSA-N 2 2 246.376 0.105 20 0 BCADLP c1c(CCNC2=[NH+]CCCN2)[nH+]c2ccccn12 ZINC000261889573 135260394 /nfs/dbraw/zinc/26/03/94/135260394.db2.gz STNIKVXWICLPOL-UHFFFAOYSA-N 2 2 243.314 0.816 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000342415924 135266917 /nfs/dbraw/zinc/26/69/17/135266917.db2.gz OIVBOBYLCXEGGJ-NXEZZACHSA-N 2 2 236.319 0.234 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000342415924 135266918 /nfs/dbraw/zinc/26/69/18/135266918.db2.gz OIVBOBYLCXEGGJ-NXEZZACHSA-N 2 2 236.319 0.234 20 0 BCADLP Cc1ccc(CC[N@H+](CC[NH3+])CCO)cc1 ZINC000342423479 135267870 /nfs/dbraw/zinc/26/78/70/135267870.db2.gz QOEVXBCUIBMXAB-UHFFFAOYSA-N 2 2 222.332 0.791 20 0 BCADLP Cc1ccc(CC[N@@H+](CC[NH3+])CCO)cc1 ZINC000342423479 135267872 /nfs/dbraw/zinc/26/78/72/135267872.db2.gz QOEVXBCUIBMXAB-UHFFFAOYSA-N 2 2 222.332 0.791 20 0 BCADLP [NH3+]CC[N@H+](CCO)Cc1cccc2cccnc21 ZINC000342406958 135272291 /nfs/dbraw/zinc/27/22/91/135272291.db2.gz AMCNXTIRDIZDHU-UHFFFAOYSA-N 2 2 245.326 0.988 20 0 BCADLP [NH3+]CC[N@@H+](CCO)Cc1cccc2cccnc21 ZINC000342406958 135272292 /nfs/dbraw/zinc/27/22/92/135272292.db2.gz AMCNXTIRDIZDHU-UHFFFAOYSA-N 2 2 245.326 0.988 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000342546771 135287002 /nfs/dbraw/zinc/28/70/02/135287002.db2.gz KSLHIUNWFPGEIP-BDAKNGLRSA-N 2 2 222.292 0.224 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000342546771 135287004 /nfs/dbraw/zinc/28/70/04/135287004.db2.gz KSLHIUNWFPGEIP-BDAKNGLRSA-N 2 2 222.292 0.224 20 0 BCADLP C[NH2+]CCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000262342517 135293821 /nfs/dbraw/zinc/29/38/21/135293821.db2.gz IBAYOCAGPQEAFE-JTQLQIEISA-N 2 2 236.319 0.725 20 0 BCADLP c1cn2ccc(CNC3=[NH+]CCCN3)cc2[nH+]1 ZINC000262429876 135297191 /nfs/dbraw/zinc/29/71/91/135297191.db2.gz BNYZRSDZNQFYGR-UHFFFAOYSA-N 2 2 229.287 0.773 20 0 BCADLP Nc1ccc(NC(=O)C2([NH3+])CCCC2)c[nH+]1 ZINC000262461296 135300588 /nfs/dbraw/zinc/30/05/88/135300588.db2.gz WEJCLFGERZLJHC-UHFFFAOYSA-N 2 2 220.276 0.874 20 0 BCADLP Cc1c[nH+]c(CN2C[C@H]3CCC[NH2+][C@@H]3C2)n1C ZINC000342799875 135320710 /nfs/dbraw/zinc/32/07/10/135320710.db2.gz PDHAHGYSJPZCBN-VXGBXAGGSA-N 2 2 234.347 0.912 20 0 BCADLP CCO[C@@H]1C[C@@H](O)C12CC[NH+](CC[NH3+])CC2 ZINC000262915784 135324048 /nfs/dbraw/zinc/32/40/48/135324048.db2.gz GFNXLOWSILEYRR-GHMZBOCLSA-N 2 2 228.336 0.197 20 0 BCADLP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263003861 135326332 /nfs/dbraw/zinc/32/63/32/135326332.db2.gz OYRUYBLWUCNFNO-DTWKUNHWSA-N 2 2 247.289 0.194 20 0 BCADLP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263003861 135326334 /nfs/dbraw/zinc/32/63/34/135326334.db2.gz OYRUYBLWUCNFNO-DTWKUNHWSA-N 2 2 247.289 0.194 20 0 BCADLP Cc1cc(C[NH+]2CCN(CC[NH3+])CC2)on1 ZINC000263063763 135330831 /nfs/dbraw/zinc/33/08/31/135330831.db2.gz VRBDYXLPQOPMJR-UHFFFAOYSA-N 2 2 224.308 0.059 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334284694 135339296 /nfs/dbraw/zinc/33/92/96/135339296.db2.gz GCJQMNNQBZZGLQ-CYBMUJFWSA-N 2 2 239.363 0.492 20 0 BCADLP CN(C)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334284694 135339298 /nfs/dbraw/zinc/33/92/98/135339298.db2.gz GCJQMNNQBZZGLQ-CYBMUJFWSA-N 2 2 239.363 0.492 20 0 BCADLP CN(C)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334284694 135339299 /nfs/dbraw/zinc/33/92/99/135339299.db2.gz GCJQMNNQBZZGLQ-CYBMUJFWSA-N 2 2 239.363 0.492 20 0 BCADLP CN(C)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000334284694 135339301 /nfs/dbraw/zinc/33/93/01/135339301.db2.gz GCJQMNNQBZZGLQ-CYBMUJFWSA-N 2 2 239.363 0.492 20 0 BCADLP C[C@H](C[NH2+]Cc1ncc[nH]1)N1CC[NH+](C)CC1 ZINC000342992345 135343257 /nfs/dbraw/zinc/34/32/57/135343257.db2.gz IRROEIDQFWBXCF-LLVKDONJSA-N 2 2 237.351 0.135 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC[NH+](CCO)CC2)CCO1 ZINC000081671484 135388834 /nfs/dbraw/zinc/38/88/34/135388834.db2.gz LVTNSNNHUNDHPE-LLVKDONJSA-N 2 2 228.336 0.164 20 0 BCADLP C[C@@H]1C[N@H+](C2CC[NH+](CCO)CC2)CCO1 ZINC000081671484 135388836 /nfs/dbraw/zinc/38/88/36/135388836.db2.gz LVTNSNNHUNDHPE-LLVKDONJSA-N 2 2 228.336 0.164 20 0 BCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000335283190 136000960 /nfs/dbraw/zinc/00/09/60/136000960.db2.gz FYEDVEFEISJPFT-VHSXEESVSA-N 2 2 234.303 0.463 20 0 BCADLP Cc1ccc2[nH+]c(CNC(=O)[C@@H]3C[C@@H]3[NH3+])cn2c1 ZINC000335283936 136001651 /nfs/dbraw/zinc/00/16/51/136001651.db2.gz WHOHMRQZFLEGQP-MNOVXSKESA-N 2 2 244.298 0.606 20 0 BCADLP C[C@H](C[S@@](C)=O)[N@H+](C)CCc1c[nH+]cn1C ZINC000347797334 136008227 /nfs/dbraw/zinc/00/82/27/136008227.db2.gz YJCJCTQDYALESF-QLJPJBMISA-N 2 2 243.376 0.661 20 0 BCADLP C[C@H](C[S@@](C)=O)[N@@H+](C)CCc1c[nH+]cn1C ZINC000347797334 136008228 /nfs/dbraw/zinc/00/82/28/136008228.db2.gz YJCJCTQDYALESF-QLJPJBMISA-N 2 2 243.376 0.661 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H](C)Cn1cccn1 ZINC000347756896 136011282 /nfs/dbraw/zinc/01/12/82/136011282.db2.gz PVTWSZMCVCQBFK-GFCCVEGCSA-N 2 2 240.351 0.175 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)Cn1cccn1 ZINC000347756896 136011283 /nfs/dbraw/zinc/01/12/83/136011283.db2.gz PVTWSZMCVCQBFK-GFCCVEGCSA-N 2 2 240.351 0.175 20 0 BCADLP Cc1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)nc[nH+]1 ZINC000347872790 136017105 /nfs/dbraw/zinc/01/71/05/136017105.db2.gz DJLITWAETRMTTA-NSHDSACASA-N 2 2 234.303 0.306 20 0 BCADLP Cc1cc(N2CC[N@H+]3CCOC[C@@H]3C2)nc[nH+]1 ZINC000347872790 136017106 /nfs/dbraw/zinc/01/71/06/136017106.db2.gz DJLITWAETRMTTA-NSHDSACASA-N 2 2 234.303 0.306 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C=C[C@H](CO)C1 ZINC000348163549 136041720 /nfs/dbraw/zinc/04/17/20/136041720.db2.gz VRHQVFFBEIOEGQ-RHYQMDGZSA-N 2 2 210.321 0.463 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C=C[C@H](CO)C1 ZINC000348163549 136041721 /nfs/dbraw/zinc/04/17/21/136041721.db2.gz VRHQVFFBEIOEGQ-RHYQMDGZSA-N 2 2 210.321 0.463 20 0 BCADLP [NH3+]C1(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000335364602 136095297 /nfs/dbraw/zinc/09/52/97/136095297.db2.gz BTLPDHAAQUAHDN-JTQLQIEISA-N 2 2 248.330 0.997 20 0 BCADLP [NH3+]C1(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000335364603 136095307 /nfs/dbraw/zinc/09/53/07/136095307.db2.gz BTLPDHAAQUAHDN-SNVBAGLBSA-N 2 2 248.330 0.997 20 0 BCADLP Cc1cc(CNC(=O)[C@@H]2C[C@@H]2[NH3+])cc(C)[nH+]1 ZINC000335560187 136105773 /nfs/dbraw/zinc/10/57/73/136105773.db2.gz GSNPOUIOGRTAOW-MNOVXSKESA-N 2 2 219.288 0.662 20 0 BCADLP C[C@H](C[NH2+]CC[C@@H]1CCOC1)[NH+](C)C ZINC000308686367 397836650 /nfs/dbraw/zinc/83/66/50/397836650.db2.gz ZQRAQDPZUKQYNY-GHMZBOCLSA-N 2 2 200.326 0.953 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CCC(=O)N1 ZINC000649570430 397959990 /nfs/dbraw/zinc/95/99/90/397959990.db2.gz AJSGMNAVVVTGRN-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CCC(=O)N1 ZINC000649570430 397959991 /nfs/dbraw/zinc/95/99/91/397959991.db2.gz AJSGMNAVVVTGRN-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP COC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C(C)C ZINC000643537907 397919083 /nfs/dbraw/zinc/91/90/83/397919083.db2.gz UKHPIRFODGCAFP-GARJFASQSA-N 2 2 218.316 0.947 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000564822558 398044665 /nfs/dbraw/zinc/04/46/65/398044665.db2.gz FAGWRGXNQJOJCL-UWVGGRQHSA-N 2 2 235.335 0.899 20 0 BCADLP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000564822553 398044677 /nfs/dbraw/zinc/04/46/77/398044677.db2.gz FAGWRGXNQJOJCL-NXEZZACHSA-N 2 2 235.335 0.899 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000649629550 398009987 /nfs/dbraw/zinc/00/99/87/398009987.db2.gz JELZAEAVBISUKP-YNEHKIRRSA-N 2 2 242.363 0.458 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000649629550 398009989 /nfs/dbraw/zinc/00/99/89/398009989.db2.gz JELZAEAVBISUKP-YNEHKIRRSA-N 2 2 242.363 0.458 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000373106203 398012577 /nfs/dbraw/zinc/01/25/77/398012577.db2.gz GNGABPRGXIHRGN-GHMZBOCLSA-N 2 2 249.314 0.915 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000373106203 398012579 /nfs/dbraw/zinc/01/25/79/398012579.db2.gz GNGABPRGXIHRGN-GHMZBOCLSA-N 2 2 249.314 0.915 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000275492609 398021300 /nfs/dbraw/zinc/02/13/00/398021300.db2.gz BEMSKWHMWYCYBE-LPEHRKFASA-N 2 2 240.282 0.088 20 0 BCADLP C[NH+](C)C1CN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000277763326 398033200 /nfs/dbraw/zinc/03/32/00/398033200.db2.gz KQTASOFDCFXYFG-UHFFFAOYSA-N 2 2 247.346 0.827 20 0 BCADLP CC(C)=CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685073 398035684 /nfs/dbraw/zinc/03/56/84/398035684.db2.gz MWHFVFOIEIEQLO-UHFFFAOYSA-N 2 2 239.363 0.658 20 0 BCADLP CC(C)=CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685073 398035687 /nfs/dbraw/zinc/03/56/87/398035687.db2.gz MWHFVFOIEIEQLO-UHFFFAOYSA-N 2 2 239.363 0.658 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CCO[C@@H]1C ZINC000186579492 398070027 /nfs/dbraw/zinc/07/00/27/398070027.db2.gz UPXKUAIRONHBKQ-GHMZBOCLSA-N 2 2 216.325 0.068 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCO[C@@H]1C ZINC000186579492 398070031 /nfs/dbraw/zinc/07/00/31/398070031.db2.gz UPXKUAIRONHBKQ-GHMZBOCLSA-N 2 2 216.325 0.068 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCc1cn[nH]c1 ZINC000389616284 398116796 /nfs/dbraw/zinc/11/67/96/398116796.db2.gz GRFOCYLIRWFLHX-LLVKDONJSA-N 2 2 208.309 0.636 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1CCc1cn[nH]c1 ZINC000389616284 398116798 /nfs/dbraw/zinc/11/67/98/398116798.db2.gz GRFOCYLIRWFLHX-LLVKDONJSA-N 2 2 208.309 0.636 20 0 BCADLP c1n[nH]cc1CC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000309294496 398118375 /nfs/dbraw/zinc/11/83/75/398118375.db2.gz KKNQHCONGDEDGJ-NWDGAFQWSA-N 2 2 220.320 0.636 20 0 BCADLP c1n[nH]cc1CC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000309294496 398118382 /nfs/dbraw/zinc/11/83/82/398118382.db2.gz KKNQHCONGDEDGJ-NWDGAFQWSA-N 2 2 220.320 0.636 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@@H+]1CCc1cn[nH]c1 ZINC000389587596 398114650 /nfs/dbraw/zinc/11/46/50/398114650.db2.gz AARQCVIDPDTAQD-LLVKDONJSA-N 2 2 208.309 0.765 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@H+]1CCc1cn[nH]c1 ZINC000389587596 398114652 /nfs/dbraw/zinc/11/46/52/398114652.db2.gz AARQCVIDPDTAQD-LLVKDONJSA-N 2 2 208.309 0.765 20 0 BCADLP C[C@@H]1[C@H](C(=O)NCCc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000648778183 398114882 /nfs/dbraw/zinc/11/48/82/398114882.db2.gz ODNWCHMLDVVPBE-NXEZZACHSA-N 2 2 236.319 0.409 20 0 BCADLP C[C@@H]1[C@H](C(=O)NCCc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000648778183 398114883 /nfs/dbraw/zinc/11/48/83/398114883.db2.gz ODNWCHMLDVVPBE-NXEZZACHSA-N 2 2 236.319 0.409 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCc1cn[nH]c1 ZINC000389587597 398115087 /nfs/dbraw/zinc/11/50/87/398115087.db2.gz AARQCVIDPDTAQD-NSHDSACASA-N 2 2 208.309 0.765 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@H+]1CCc1cn[nH]c1 ZINC000389587597 398115092 /nfs/dbraw/zinc/11/50/92/398115092.db2.gz AARQCVIDPDTAQD-NSHDSACASA-N 2 2 208.309 0.765 20 0 BCADLP COCC(COC)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000385027343 398128011 /nfs/dbraw/zinc/12/80/11/398128011.db2.gz JRDOLXHZKPUDFI-GHMZBOCLSA-N 2 2 230.352 0.720 20 0 BCADLP COCC(COC)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000385027343 398128013 /nfs/dbraw/zinc/12/80/13/398128013.db2.gz JRDOLXHZKPUDFI-GHMZBOCLSA-N 2 2 230.352 0.720 20 0 BCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000547863553 398133365 /nfs/dbraw/zinc/13/33/65/398133365.db2.gz YFXRULBLKDYTHC-JTQLQIEISA-N 2 2 236.319 0.173 20 0 BCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000547863553 398133369 /nfs/dbraw/zinc/13/33/69/398133369.db2.gz YFXRULBLKDYTHC-JTQLQIEISA-N 2 2 236.319 0.173 20 0 BCADLP CC(C)NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747130 167046381 /nfs/dbraw/zinc/04/63/81/167046381.db2.gz XERKYHKLMVYFHR-FOSCPWQOSA-N 2 2 239.363 0.726 20 0 BCADLP CC(C)NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747130 167046384 /nfs/dbraw/zinc/04/63/84/167046384.db2.gz XERKYHKLMVYFHR-FOSCPWQOSA-N 2 2 239.363 0.726 20 0 BCADLP COCCOCC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000070531754 174353766 /nfs/dbraw/zinc/35/37/66/174353766.db2.gz OFEJASHPWGLVTR-NSHDSACASA-N 2 2 216.325 0.463 20 0 BCADLP COCCOCC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000070531754 174353769 /nfs/dbraw/zinc/35/37/69/174353769.db2.gz OFEJASHPWGLVTR-NSHDSACASA-N 2 2 216.325 0.463 20 0 BCADLP CC(C)[NH2+]CC[N@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000368075522 167105477 /nfs/dbraw/zinc/10/54/77/167105477.db2.gz ZLCGZYJHMMZIFJ-QWRGUYRKSA-N 2 2 225.336 0.052 20 0 BCADLP CCCNC(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000309452953 487558035 /nfs/dbraw/zinc/55/80/35/487558035.db2.gz MZNIWINLNKQOCO-UHFFFAOYSA-N 2 2 213.325 0.326 20 0 BCADLP [NH3+]C1(C(=O)NCCCn2cc[nH+]c2)CCC1 ZINC000088050202 322886800 /nfs/dbraw/zinc/88/68/00/322886800.db2.gz DMRIVCMZYKXWEM-UHFFFAOYSA-N 2 2 222.292 0.271 20 0 BCADLP CC[C@@H](Cn1cncn1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000685645219 487570118 /nfs/dbraw/zinc/57/01/18/487570118.db2.gz BTULDUWDNDRJEA-NWDGAFQWSA-N 2 2 237.351 0.741 20 0 BCADLP CC[C@@H](Cn1cncn1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000685645219 487570120 /nfs/dbraw/zinc/57/01/20/487570120.db2.gz BTULDUWDNDRJEA-NWDGAFQWSA-N 2 2 237.351 0.741 20 0 BCADLP CC(C)OCCC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000011886015 167216801 /nfs/dbraw/zinc/21/68/01/167216801.db2.gz TUFBWIGITSLJIS-NSHDSACASA-N 2 2 216.325 0.461 20 0 BCADLP CC(C)OCCC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000011886015 167216804 /nfs/dbraw/zinc/21/68/04/167216804.db2.gz TUFBWIGITSLJIS-NSHDSACASA-N 2 2 216.325 0.461 20 0 BCADLP CC(C)OCC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000308656889 167245331 /nfs/dbraw/zinc/24/53/31/167245331.db2.gz OMNDOQIFDHZEBV-WDEREUQCSA-N 2 2 200.326 0.951 20 0 BCADLP CC(C)OCC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000308656889 167245333 /nfs/dbraw/zinc/24/53/33/167245333.db2.gz OMNDOQIFDHZEBV-WDEREUQCSA-N 2 2 200.326 0.951 20 0 BCADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662240818 409526823 /nfs/dbraw/zinc/52/68/23/409526823.db2.gz NNPRWLMHNUKKSH-CYBMUJFWSA-N 3 2 231.343 0.865 20 0 BCADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662240818 409526834 /nfs/dbraw/zinc/52/68/34/409526834.db2.gz NNPRWLMHNUKKSH-CYBMUJFWSA-N 3 2 231.343 0.865 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(C)ncn2)C1 ZINC000662244734 409533916 /nfs/dbraw/zinc/53/39/16/409533916.db2.gz GJYATRAEPBPVKB-NSHDSACASA-N 2 2 220.320 0.826 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(C)ncn2)C1 ZINC000662244734 409533925 /nfs/dbraw/zinc/53/39/25/409533925.db2.gz GJYATRAEPBPVKB-NSHDSACASA-N 2 2 220.320 0.826 20 0 BCADLP C[NH2+]C1CC[NH+](Cc2cc(C)ncn2)CC1 ZINC000662243329 409535998 /nfs/dbraw/zinc/53/59/98/409535998.db2.gz INAQMHZROSTSRC-UHFFFAOYSA-N 2 2 220.320 0.969 20 0 BCADLP C([C@@H]1CCOC1)[N@H+](C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000662250432 409548207 /nfs/dbraw/zinc/54/82/07/409548207.db2.gz HVGXRCZWGXLGEV-WCQYABFASA-N 2 2 240.347 0.476 20 0 BCADLP C([C@@H]1CCOC1)[N@@H+](C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000662250432 409548214 /nfs/dbraw/zinc/54/82/14/409548214.db2.gz HVGXRCZWGXLGEV-WCQYABFASA-N 2 2 240.347 0.476 20 0 BCADLP CO[C@H](C)C[N@H+](C[C@@H]1C[NH2+]CCO1)C(C)C ZINC000662254925 409552465 /nfs/dbraw/zinc/55/24/65/409552465.db2.gz BYTGXRWHOKYRRH-NEPJUHHUSA-N 2 2 230.352 0.720 20 0 BCADLP CO[C@H](C)C[N@@H+](C[C@@H]1C[NH2+]CCO1)C(C)C ZINC000662254925 409552470 /nfs/dbraw/zinc/55/24/70/409552470.db2.gz BYTGXRWHOKYRRH-NEPJUHHUSA-N 2 2 230.352 0.720 20 0 BCADLP CC[C@H](C)N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653074238 409578604 /nfs/dbraw/zinc/57/86/04/409578604.db2.gz AMGFXDKNNZAJKA-VHSXEESVSA-N 2 2 215.341 0.522 20 0 BCADLP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ncn1 ZINC000662273236 409581444 /nfs/dbraw/zinc/58/14/44/409581444.db2.gz KRHIGQZVMQXTLI-YPMHNXCESA-N 2 2 232.331 0.969 20 0 BCADLP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ncn1 ZINC000662273236 409581452 /nfs/dbraw/zinc/58/14/52/409581452.db2.gz KRHIGQZVMQXTLI-YPMHNXCESA-N 2 2 232.331 0.969 20 0 BCADLP C[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000653078705 409595985 /nfs/dbraw/zinc/59/59/85/409595985.db2.gz INHRDRNZWOZXGH-GXSJLCMTSA-N 2 2 227.352 0.428 20 0 BCADLP C[C@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653080467 409597008 /nfs/dbraw/zinc/59/70/08/409597008.db2.gz IRPPGTKCVVPOMO-NWDGAFQWSA-N 2 2 241.379 0.914 20 0 BCADLP CCOCCN(CC)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653080387 409597486 /nfs/dbraw/zinc/59/74/86/409597486.db2.gz DYUFNHNHWSEWNO-NSHDSACASA-N 2 2 245.367 0.150 20 0 BCADLP CCC[C@@H](CC)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653081561 409601125 /nfs/dbraw/zinc/60/11/25/409601125.db2.gz SQXIIVYOIWZSFE-MNOVXSKESA-N 2 2 229.368 0.960 20 0 BCADLP Cc1ncc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cn1 ZINC000653086433 409615535 /nfs/dbraw/zinc/61/55/35/409615535.db2.gz QVJLCPYGSRBONN-SNVBAGLBSA-N 2 2 237.307 0.003 20 0 BCADLP CC[C@@H]([NH2+]C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000662359207 409672906 /nfs/dbraw/zinc/67/29/06/409672906.db2.gz XLTPDPXJDCEPNE-LLVKDONJSA-N 2 2 246.314 0.949 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCC1CC1 ZINC000653091682 409673161 /nfs/dbraw/zinc/67/31/61/409673161.db2.gz CTHVWWJBYHWZIC-JTQLQIEISA-N 2 2 213.325 0.182 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CCCC1(C)C ZINC000653091950 409676201 /nfs/dbraw/zinc/67/62/01/409676201.db2.gz NWOGHACFHARUFT-MNOVXSKESA-N 2 2 241.379 0.960 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](O)[C@H]1C ZINC000660735176 409678485 /nfs/dbraw/zinc/67/84/85/409678485.db2.gz CHETZRNZPISDCA-MWLCHTKSSA-N 2 2 209.293 0.647 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000660735176 409678492 /nfs/dbraw/zinc/67/84/92/409678492.db2.gz CHETZRNZPISDCA-MWLCHTKSSA-N 2 2 209.293 0.647 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1(C)CC1 ZINC000653095828 409711763 /nfs/dbraw/zinc/71/17/63/409711763.db2.gz XNPMTJVZDNESDN-SECBINFHSA-N 2 2 213.325 0.182 20 0 BCADLP C[C@@H]1CC[C@H](C)N(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653093032 409692177 /nfs/dbraw/zinc/69/21/77/409692177.db2.gz UABXJDPSIRMXHB-GRYCIOLGSA-N 2 2 241.379 0.912 20 0 BCADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H]1CCSC1 ZINC000653125668 409836090 /nfs/dbraw/zinc/83/60/90/409836090.db2.gz PXOPUVUTHKDJAE-UWVGGRQHSA-N 2 2 245.392 0.229 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCSCC1 ZINC000653130402 409847241 /nfs/dbraw/zinc/84/72/41/409847241.db2.gz IKVLMHPBVIVIKA-JTQLQIEISA-N 2 2 245.392 0.231 20 0 BCADLP C[C@H](C[NH3+])NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000653130543 409847327 /nfs/dbraw/zinc/84/73/27/409847327.db2.gz RPQHNDNEHVFQJW-RKDXNWHRSA-N 2 2 210.281 0.298 20 0 BCADLP C[C@@H]([NH3+])CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000653136281 409855841 /nfs/dbraw/zinc/85/58/41/409855841.db2.gz ITHZVHIBCXKDLE-RKDXNWHRSA-N 2 2 210.281 0.298 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccnc1 ZINC000653105452 409798407 /nfs/dbraw/zinc/79/84/07/409798407.db2.gz WIOCTMQAQKNRQW-SNVBAGLBSA-N 2 2 222.292 0.299 20 0 BCADLP CCN(CC(F)F)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653151814 409878947 /nfs/dbraw/zinc/87/89/47/409878947.db2.gz ULQUBFALRRZOFL-QMMMGPOBSA-N 2 2 237.294 0.379 20 0 BCADLP CC[NH+]1CCC([NH2+]Cc2cn(C)nn2)CC1 ZINC000054860793 409957933 /nfs/dbraw/zinc/95/79/33/409957933.db2.gz WRKRZNAUVXTPKJ-UHFFFAOYSA-N 2 2 223.324 0.389 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)C1([NH3+])CC1 ZINC000662901207 409976629 /nfs/dbraw/zinc/97/66/29/409976629.db2.gz XAQWDHDREMVYHM-QMMMGPOBSA-N 2 2 222.292 0.572 20 0 BCADLP C[C@@H](CCC1CC1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653156647 409976699 /nfs/dbraw/zinc/97/66/99/409976699.db2.gz HJJGCXQYJPQXRP-CMPLNLGQSA-N 2 2 241.379 0.960 20 0 BCADLP CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000653156859 409977123 /nfs/dbraw/zinc/97/71/23/409977123.db2.gz NUKCANNYYXFLTE-LLVKDONJSA-N 2 2 227.352 0.666 20 0 BCADLP C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)c1[nH+]ccn1C ZINC000662934026 409979925 /nfs/dbraw/zinc/97/99/25/409979925.db2.gz LPTQZYAQGIGYKF-BDAKNGLRSA-N 2 2 222.292 0.349 20 0 BCADLP C[C@@H](NC(=O)[C@H]1[NH2+]CC1(C)C)c1[nH+]ccn1C ZINC000662933647 409980604 /nfs/dbraw/zinc/98/06/04/409980604.db2.gz JBHZXYNONYBSPR-RKDXNWHRSA-N 2 2 236.319 0.595 20 0 BCADLP C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H]1C)c1[nH+]ccn1C ZINC000662933117 409980909 /nfs/dbraw/zinc/98/09/09/409980909.db2.gz GMMIMDMXTOFWKF-UTLUCORTSA-N 2 2 236.319 0.595 20 0 BCADLP C[NH2+]CCCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662933118 409981324 /nfs/dbraw/zinc/98/13/24/409981324.db2.gz GNKNFJYEHRGZBC-SECBINFHSA-N 2 2 224.308 0.597 20 0 BCADLP C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1[nH+]ccn1C ZINC000662933864 409981347 /nfs/dbraw/zinc/98/13/47/409981347.db2.gz KIMRTTMFMBQNPC-XHNCKOQMSA-N 2 2 222.292 0.335 20 0 BCADLP C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)c1[nH+]ccn1C ZINC000662934036 409981500 /nfs/dbraw/zinc/98/15/00/409981500.db2.gz LPTQZYAQGIGYKF-RKDXNWHRSA-N 2 2 222.292 0.349 20 0 BCADLP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000655411468 410213122 /nfs/dbraw/zinc/21/31/22/410213122.db2.gz CAKFDKMWWOMBNG-QWRGUYRKSA-N 2 2 248.330 0.314 20 0 BCADLP [NH3+]C[C@H]([NH2+]C[C@]12C[C@H]1C[NH2+]C2)C1CCCC1 ZINC000663498475 410276211 /nfs/dbraw/zinc/27/62/11/410276211.db2.gz SYSUBCNFIOADIS-RWMBFGLXSA-N 3 2 223.364 0.703 20 0 BCADLP [NH3+]C[C@H]([NH2+]C[C@@]12C[C@@H]1C[NH2+]C2)C1CCCC1 ZINC000663498472 410276231 /nfs/dbraw/zinc/27/62/31/410276231.db2.gz SYSUBCNFIOADIS-AGIUHOORSA-N 3 2 223.364 0.703 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)CC(=O)N(C)C ZINC000663513164 410282151 /nfs/dbraw/zinc/28/21/51/410282151.db2.gz IYGHGNJYUAOSLT-BDAKNGLRSA-N 2 2 201.314 0.051 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655451519 410282264 /nfs/dbraw/zinc/28/22/64/410282264.db2.gz RWHWWYQDAYRIQI-MFKMUULPSA-N 2 2 248.330 0.724 20 0 BCADLP [NH3+]C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000655417377 410224027 /nfs/dbraw/zinc/22/40/27/410224027.db2.gz IOZZMKZZOHBLOY-QWRGUYRKSA-N 2 2 248.330 0.299 20 0 BCADLP CN(CC[NH+]1CCOCC1)CC12CC(C1)C[NH2+]2 ZINC000634992490 410330585 /nfs/dbraw/zinc/33/05/85/410330585.db2.gz QVVJKQGNJAPGAR-UHFFFAOYSA-N 2 2 239.363 0.002 20 0 BCADLP c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[NH2+]C1)CN2 ZINC000650715041 410350947 /nfs/dbraw/zinc/35/09/47/410350947.db2.gz MMXCSXIYTHEEKB-NEPJUHHUSA-N 2 2 217.316 0.975 20 0 BCADLP [NH3+][C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000655452584 410291969 /nfs/dbraw/zinc/29/19/69/410291969.db2.gz WPMLHJFFSYCNAC-MNOVXSKESA-N 2 2 248.330 0.299 20 0 BCADLP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000650724391 410360134 /nfs/dbraw/zinc/36/01/34/410360134.db2.gz FIDCWHMLEVTMEH-CMPLNLGQSA-N 2 2 247.342 0.714 20 0 BCADLP C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H](C)[NH3+] ZINC000655466727 410668292 /nfs/dbraw/zinc/66/82/92/410668292.db2.gz UCNMHBFADNRJDE-AEJSXWLSSA-N 2 2 236.319 0.297 20 0 BCADLP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000665283415 410763188 /nfs/dbraw/zinc/76/31/88/410763188.db2.gz NHGNUIFFWDIRIG-TUAOUCFPSA-N 3 2 213.369 0.947 20 0 BCADLP CC(C)CCC[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000038093991 166811379 /nfs/dbraw/zinc/81/13/79/166811379.db2.gz DTDRFTOETUUZCH-UHFFFAOYSA-N 2 2 241.379 0.786 20 0 BCADLP CC(C)NC(=O)C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000043493636 167048913 /nfs/dbraw/zinc/04/89/13/167048913.db2.gz PMEGFUQKFRVGFX-LLVKDONJSA-N 2 2 227.352 0.442 20 0 BCADLP CC(C)NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000043493636 167048916 /nfs/dbraw/zinc/04/89/16/167048916.db2.gz PMEGFUQKFRVGFX-LLVKDONJSA-N 2 2 227.352 0.442 20 0 BCADLP CC(C)[NH2+]CC[N@@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000368075522 167105474 /nfs/dbraw/zinc/10/54/74/167105474.db2.gz ZLCGZYJHMMZIFJ-QWRGUYRKSA-N 2 2 225.336 0.052 20 0 BCADLP CC(C)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000052377727 167112237 /nfs/dbraw/zinc/11/22/37/167112237.db2.gz QDHPXVXSMPLISB-LLVKDONJSA-N 2 2 200.326 0.953 20 0 BCADLP CC(C)OC[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000337346119 167265375 /nfs/dbraw/zinc/26/53/75/167265375.db2.gz VUYIEMPJUIZNOB-QWHCGFSZSA-N 2 2 243.395 0.635 20 0 BCADLP CC(C)OC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000337346119 167265378 /nfs/dbraw/zinc/26/53/78/167265378.db2.gz VUYIEMPJUIZNOB-QWHCGFSZSA-N 2 2 243.395 0.635 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H](CO)CCF ZINC000652021296 411030887 /nfs/dbraw/zinc/03/08/87/411030887.db2.gz VVQWRUVYTDIRSD-CKYFFXLPSA-N 2 2 230.327 0.779 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H](CO)CCF ZINC000652021296 411030892 /nfs/dbraw/zinc/03/08/92/411030892.db2.gz VVQWRUVYTDIRSD-CKYFFXLPSA-N 2 2 230.327 0.779 20 0 BCADLP CC[C@H]([NH3+])C(=O)NCCCCn1cc[nH+]c1 ZINC000045109217 411144289 /nfs/dbraw/zinc/14/42/89/411144289.db2.gz XVYQCVALQCLXTJ-JTQLQIEISA-N 2 2 224.308 0.517 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000651939649 411155532 /nfs/dbraw/zinc/15/55/32/411155532.db2.gz LZKXUOFQQVPNFN-MWGHHZFTSA-N 2 2 237.347 0.323 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000651939649 411155537 /nfs/dbraw/zinc/15/55/37/411155537.db2.gz LZKXUOFQQVPNFN-MWGHHZFTSA-N 2 2 237.347 0.323 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000309381018 411120513 /nfs/dbraw/zinc/12/05/13/411120513.db2.gz DIDQKLCHAYJUDQ-IJLUTSLNSA-N 3 2 211.353 0.655 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000309381018 411120516 /nfs/dbraw/zinc/12/05/16/411120516.db2.gz DIDQKLCHAYJUDQ-IJLUTSLNSA-N 3 2 211.353 0.655 20 0 BCADLP Cc1noc([C@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000309386652 411121002 /nfs/dbraw/zinc/12/10/02/411121002.db2.gz FEMQAMGWSGSZNU-IONNQARKSA-N 2 2 210.281 0.720 20 0 BCADLP Cc1noc([C@H](C)[N@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000309386652 411121006 /nfs/dbraw/zinc/12/10/06/411121006.db2.gz FEMQAMGWSGSZNU-IONNQARKSA-N 2 2 210.281 0.720 20 0 BCADLP Cn1ncnc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000639082882 411181941 /nfs/dbraw/zinc/18/19/41/411181941.db2.gz ZMXVBSLCNPAIAN-UHFFFAOYSA-N 2 2 249.362 0.875 20 0 BCADLP Cn1ncnc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000639082882 411181943 /nfs/dbraw/zinc/18/19/43/411181943.db2.gz ZMXVBSLCNPAIAN-UHFFFAOYSA-N 2 2 249.362 0.875 20 0 BCADLP Cn1c[nH+]cc1CCCN1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000653694430 411185658 /nfs/dbraw/zinc/18/56/58/411185658.db2.gz DUHJSOWOBXTEPE-JSGCOSHPSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1c[nH+]cc1CCCN1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000653694430 411185663 /nfs/dbraw/zinc/18/56/63/411185663.db2.gz DUHJSOWOBXTEPE-JSGCOSHPSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H]2CN(C)C[C@@H]21 ZINC000653694430 411185664 /nfs/dbraw/zinc/18/56/64/411185664.db2.gz DUHJSOWOBXTEPE-JSGCOSHPSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H]2CN(C)C[C@@H]21 ZINC000653694430 411185667 /nfs/dbraw/zinc/18/56/67/411185667.db2.gz DUHJSOWOBXTEPE-JSGCOSHPSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1c[nH+]cc1CCCN1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000653694429 411185685 /nfs/dbraw/zinc/18/56/85/411185685.db2.gz DUHJSOWOBXTEPE-GXTWGEPZSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1c[nH+]cc1CCCN1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000653694429 411185689 /nfs/dbraw/zinc/18/56/89/411185689.db2.gz DUHJSOWOBXTEPE-GXTWGEPZSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H]2CN(C)C[C@H]21 ZINC000653694429 411185692 /nfs/dbraw/zinc/18/56/92/411185692.db2.gz DUHJSOWOBXTEPE-GXTWGEPZSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H]2CN(C)C[C@H]21 ZINC000653694429 411185694 /nfs/dbraw/zinc/18/56/94/411185694.db2.gz DUHJSOWOBXTEPE-GXTWGEPZSA-N 2 2 248.374 0.989 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC([C@H]2CCOC2)C1 ZINC000656151923 411187529 /nfs/dbraw/zinc/18/75/29/411187529.db2.gz OXLSXUCBDVHVSS-WCQYABFASA-N 2 2 242.363 0.267 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC([C@H]2CCOC2)C1 ZINC000656151923 411187532 /nfs/dbraw/zinc/18/75/32/411187532.db2.gz OXLSXUCBDVHVSS-WCQYABFASA-N 2 2 242.363 0.267 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+][C@@H](C)C[NH+](C)C ZINC000658016447 411198512 /nfs/dbraw/zinc/19/85/12/411198512.db2.gz YYKHXLPFTKBXHX-UWVGGRQHSA-N 2 2 211.313 0.206 20 0 BCADLP [NH3+]CC[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349250 411211114 /nfs/dbraw/zinc/21/11/14/411211114.db2.gz HVDDOKXVRZOAJX-QJPTWQEYSA-N 3 2 227.352 0.163 20 0 BCADLP [NH3+]CC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349250 411211115 /nfs/dbraw/zinc/21/11/15/411211115.db2.gz HVDDOKXVRZOAJX-QJPTWQEYSA-N 3 2 227.352 0.163 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000583935226 411246777 /nfs/dbraw/zinc/24/67/77/411246777.db2.gz YBAVMKCPYCGZQT-ZJUUUORDSA-N 2 2 235.335 0.585 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000583935226 411246780 /nfs/dbraw/zinc/24/67/80/411246780.db2.gz YBAVMKCPYCGZQT-ZJUUUORDSA-N 2 2 235.335 0.585 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1c[nH]nn1 ZINC000660118012 411237104 /nfs/dbraw/zinc/23/71/04/411237104.db2.gz RVZBWANMULZXPD-UHFFFAOYSA-N 2 2 248.334 0.874 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+](C)CCc1c[nH]nn1 ZINC000660118012 411237107 /nfs/dbraw/zinc/23/71/07/411237107.db2.gz RVZBWANMULZXPD-UHFFFAOYSA-N 2 2 248.334 0.874 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1cn[nH]n1 ZINC000660118012 411237110 /nfs/dbraw/zinc/23/71/10/411237110.db2.gz RVZBWANMULZXPD-UHFFFAOYSA-N 2 2 248.334 0.874 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+](C)CCc1cn[nH]n1 ZINC000660118012 411237113 /nfs/dbraw/zinc/23/71/13/411237113.db2.gz RVZBWANMULZXPD-UHFFFAOYSA-N 2 2 248.334 0.874 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CCC(C)C ZINC000310524635 411239613 /nfs/dbraw/zinc/23/96/13/411239613.db2.gz MSZVYQGLGGIQLD-ZDUSSCGKSA-N 2 2 246.395 0.903 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CCC(C)C ZINC000310524635 411239616 /nfs/dbraw/zinc/23/96/16/411239616.db2.gz MSZVYQGLGGIQLD-ZDUSSCGKSA-N 2 2 246.395 0.903 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CCC(C)C ZINC000310524635 411239619 /nfs/dbraw/zinc/23/96/19/411239619.db2.gz MSZVYQGLGGIQLD-ZDUSSCGKSA-N 2 2 246.395 0.903 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CCC(C)C ZINC000310524635 411239621 /nfs/dbraw/zinc/23/96/21/411239621.db2.gz MSZVYQGLGGIQLD-ZDUSSCGKSA-N 2 2 246.395 0.903 20 0 BCADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000400956624 411166607 /nfs/dbraw/zinc/16/66/07/411166607.db2.gz YVXIOHQQDOCLKX-JHJVBQTASA-N 3 2 248.374 0.940 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000583935224 411267146 /nfs/dbraw/zinc/26/71/46/411267146.db2.gz YBAVMKCPYCGZQT-UWVGGRQHSA-N 2 2 235.335 0.585 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000583935224 411267148 /nfs/dbraw/zinc/26/71/48/411267148.db2.gz YBAVMKCPYCGZQT-UWVGGRQHSA-N 2 2 235.335 0.585 20 0 BCADLP CC[C@](C)([NH3+])c1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656459245 411268783 /nfs/dbraw/zinc/26/87/83/411268783.db2.gz RRVQAQAYQFSKNG-LBPRGKRZSA-N 2 2 247.302 0.739 20 0 BCADLP CC[C@@](C)([NH3+])c1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656459244 411269686 /nfs/dbraw/zinc/26/96/86/411269686.db2.gz RRVQAQAYQFSKNG-GFCCVEGCSA-N 2 2 247.302 0.739 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000070645717 411271623 /nfs/dbraw/zinc/27/16/23/411271623.db2.gz XIGMCSQMVMXVNS-VIFPVBQESA-N 2 2 222.292 0.510 20 0 BCADLP Nc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccn1 ZINC000564986170 411274497 /nfs/dbraw/zinc/27/44/97/411274497.db2.gz HHFKFAMVFVSPJL-RYUDHWBXSA-N 2 2 232.331 0.848 20 0 BCADLP Nc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccn1 ZINC000564986170 411274498 /nfs/dbraw/zinc/27/44/98/411274498.db2.gz HHFKFAMVFVSPJL-RYUDHWBXSA-N 2 2 232.331 0.848 20 0 BCADLP Cc1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)n1 ZINC000051576168 411274648 /nfs/dbraw/zinc/27/46/48/411274648.db2.gz BUIAQIYCTPEIQU-AWEZNQCLSA-N 2 2 249.358 0.936 20 0 BCADLP Cc1c(C[NH2+][C@H]2C[NH2+]C[C@H](C)C2)cnn1C ZINC000401778174 411327986 /nfs/dbraw/zinc/32/79/86/411327986.db2.gz UOUNTLCCISFBLV-BXKDBHETSA-N 2 2 222.336 0.816 20 0 BCADLP Nc1ncc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)s1 ZINC000647542304 411283284 /nfs/dbraw/zinc/28/32/84/411283284.db2.gz NBDIRBNEPOWKDX-WCBMZHEXSA-N 2 2 238.360 0.909 20 0 BCADLP Nc1ncc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)s1 ZINC000647542304 411283288 /nfs/dbraw/zinc/28/32/88/411283288.db2.gz NBDIRBNEPOWKDX-WCBMZHEXSA-N 2 2 238.360 0.909 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](CCO)C1CC1 ZINC000381042275 411284150 /nfs/dbraw/zinc/28/41/50/411284150.db2.gz GHSLJQDCDHKMPA-GFCCVEGCSA-N 2 2 230.352 0.144 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](CCO)C1CC1 ZINC000381042275 411284153 /nfs/dbraw/zinc/28/41/53/411284153.db2.gz GHSLJQDCDHKMPA-GFCCVEGCSA-N 2 2 230.352 0.144 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](CCO)C1CC1 ZINC000381042275 411284155 /nfs/dbraw/zinc/28/41/55/411284155.db2.gz GHSLJQDCDHKMPA-GFCCVEGCSA-N 2 2 230.352 0.144 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](CCO)C1CC1 ZINC000381042275 411284158 /nfs/dbraw/zinc/28/41/58/411284158.db2.gz GHSLJQDCDHKMPA-GFCCVEGCSA-N 2 2 230.352 0.144 20 0 BCADLP CC[NH2+][C@H](C)C[NH2+]Cc1cnc(N)s1 ZINC000573206734 411302023 /nfs/dbraw/zinc/30/20/23/411302023.db2.gz LTDCGKKHACUQPP-SSDOTTSWSA-N 2 2 214.338 0.813 20 0 BCADLP CC[C@@H]1C[N@H+](Cc2cc[nH]n2)CC[C@@H]1[NH3+] ZINC000309415176 411307036 /nfs/dbraw/zinc/30/70/36/411307036.db2.gz JCMKOPKFEFAWAC-KOLCDFICSA-N 2 2 208.309 0.969 20 0 BCADLP CC[C@@H]1C[N@@H+](Cc2cc[nH]n2)CC[C@@H]1[NH3+] ZINC000309415176 411307037 /nfs/dbraw/zinc/30/70/37/411307037.db2.gz JCMKOPKFEFAWAC-KOLCDFICSA-N 2 2 208.309 0.969 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000658258351 411318318 /nfs/dbraw/zinc/31/83/18/411318318.db2.gz IRDYRLGXCLTELP-JFGNBEQYSA-N 2 2 237.347 0.337 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000658258351 411318319 /nfs/dbraw/zinc/31/83/19/411318319.db2.gz IRDYRLGXCLTELP-JFGNBEQYSA-N 2 2 237.347 0.337 20 0 BCADLP C[C@@H]1[C@H](O)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000653750899 411323489 /nfs/dbraw/zinc/32/34/89/411323489.db2.gz YKHXCYGKCIIXTP-ZYHUDNBSSA-N 2 2 223.320 0.808 20 0 BCADLP C[C@@H]1[C@H](O)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000653750899 411323490 /nfs/dbraw/zinc/32/34/90/411323490.db2.gz YKHXCYGKCIIXTP-ZYHUDNBSSA-N 2 2 223.320 0.808 20 0 BCADLP COCC[N@H+](C)Cc1cn(-c2cc[nH+]cc2)nn1 ZINC000656441187 411259611 /nfs/dbraw/zinc/25/96/11/411259611.db2.gz UZGJZPQUUDSYJD-UHFFFAOYSA-N 2 2 247.302 0.741 20 0 BCADLP COCC[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nn1 ZINC000656441187 411259616 /nfs/dbraw/zinc/25/96/16/411259616.db2.gz UZGJZPQUUDSYJD-UHFFFAOYSA-N 2 2 247.302 0.741 20 0 BCADLP C[NH2+]C[C@@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000659004998 411366688 /nfs/dbraw/zinc/36/66/88/411366688.db2.gz GHDUPRSLKUOGIR-SECBINFHSA-N 2 2 222.292 0.541 20 0 BCADLP Cn1nccc1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788320 411367734 /nfs/dbraw/zinc/36/77/34/411367734.db2.gz JIMZZICGRSAJDP-UHFFFAOYSA-N 2 2 208.309 0.781 20 0 BCADLP C[N@H+](C[C@H]1COCCO1)CC(C)(C)[NH3+] ZINC000656791222 411370283 /nfs/dbraw/zinc/37/02/83/411370283.db2.gz WVBJLNAZDKXEBI-VIFPVBQESA-N 2 2 202.298 0.071 20 0 BCADLP C[N@@H+](C[C@H]1COCCO1)CC(C)(C)[NH3+] ZINC000656791222 411370285 /nfs/dbraw/zinc/37/02/85/411370285.db2.gz WVBJLNAZDKXEBI-VIFPVBQESA-N 2 2 202.298 0.071 20 0 BCADLP Cn1cncc1C[NH2+]CC1([NH3+])CCCC1 ZINC000656789767 411370471 /nfs/dbraw/zinc/37/04/71/411370471.db2.gz XRTZOTFNUKTGLN-UHFFFAOYSA-N 2 2 208.309 0.781 20 0 BCADLP Cn1c[nH+]cc1CNCC1([NH3+])CCCC1 ZINC000656789767 411370472 /nfs/dbraw/zinc/37/04/72/411370472.db2.gz XRTZOTFNUKTGLN-UHFFFAOYSA-N 2 2 208.309 0.781 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]2COC[C@@H]21 ZINC000653760223 411333824 /nfs/dbraw/zinc/33/38/24/411333824.db2.gz MBEYOBANVSJASF-UPJWGTAASA-N 2 2 242.363 0.410 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]2COC[C@@H]21 ZINC000653760223 411333828 /nfs/dbraw/zinc/33/38/28/411333828.db2.gz MBEYOBANVSJASF-UPJWGTAASA-N 2 2 242.363 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000653760223 411333831 /nfs/dbraw/zinc/33/38/31/411333831.db2.gz MBEYOBANVSJASF-UPJWGTAASA-N 2 2 242.363 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000653760223 411333834 /nfs/dbraw/zinc/33/38/34/411333834.db2.gz MBEYOBANVSJASF-UPJWGTAASA-N 2 2 242.363 0.410 20 0 BCADLP c1n[nH]nc1CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660583560 411338116 /nfs/dbraw/zinc/33/81/16/411338116.db2.gz KRCPWOXBIDEVGA-UHFFFAOYSA-N 2 2 218.264 0.060 20 0 BCADLP c1n[nH]nc1CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000660583560 411338117 /nfs/dbraw/zinc/33/81/17/411338117.db2.gz KRCPWOXBIDEVGA-UHFFFAOYSA-N 2 2 218.264 0.060 20 0 BCADLP COC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000656703289 411340210 /nfs/dbraw/zinc/34/02/10/411340210.db2.gz XKEISRGPQHBKAJ-MNOVXSKESA-N 2 2 230.352 0.456 20 0 BCADLP COC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000656703289 411340212 /nfs/dbraw/zinc/34/02/12/411340212.db2.gz XKEISRGPQHBKAJ-MNOVXSKESA-N 2 2 230.352 0.456 20 0 BCADLP O[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000658347310 411348562 /nfs/dbraw/zinc/34/85/62/411348562.db2.gz AZXJWDYIGFSKAN-AVGNSLFASA-N 2 2 240.347 0.353 20 0 BCADLP C[C@@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000237468064 411377555 /nfs/dbraw/zinc/37/75/55/411377555.db2.gz DDGQHDUBVYXXNA-SNVBAGLBSA-N 2 2 248.330 0.645 20 0 BCADLP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071147005 168289351 /nfs/dbraw/zinc/28/93/51/168289351.db2.gz JQNCLRBMJGJLFM-LLVKDONJSA-N 2 2 241.379 0.833 20 0 BCADLP CCC(C)(C)NC(=O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071147005 168289353 /nfs/dbraw/zinc/28/93/53/168289353.db2.gz JQNCLRBMJGJLFM-LLVKDONJSA-N 2 2 241.379 0.833 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000654852010 411456084 /nfs/dbraw/zinc/45/60/84/411456084.db2.gz QNJMBIOPVUZVMD-UHFFFAOYSA-N 2 2 236.319 0.676 20 0 BCADLP Cc1c[nH]c(CNC[C@H](O)C[NH+]2CCCC2)[nH+]1 ZINC000657325432 411464531 /nfs/dbraw/zinc/46/45/31/411464531.db2.gz IPSOBJDGPKQSFY-NSHDSACASA-N 2 2 238.335 0.264 20 0 BCADLP CCCCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653055579 411407401 /nfs/dbraw/zinc/40/74/01/411407401.db2.gz HLFQDQDSMNVDSF-JTQLQIEISA-N 2 2 215.341 0.572 20 0 BCADLP C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653057586 411407987 /nfs/dbraw/zinc/40/79/87/411407987.db2.gz IOXUEGOSWAOYGD-UTUOFQBUSA-N 2 2 241.379 0.960 20 0 BCADLP Cc1csc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)n1 ZINC000653057111 411408121 /nfs/dbraw/zinc/40/81/21/411408121.db2.gz PDTRQIPUTDVPFJ-QMMMGPOBSA-N 2 2 242.348 0.669 20 0 BCADLP C[C@H]1CCCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653057437 411408718 /nfs/dbraw/zinc/40/87/18/411408718.db2.gz BQZBSGQUBYWVMI-QWRGUYRKSA-N 2 2 227.352 0.666 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1cccs1 ZINC000653058120 411409416 /nfs/dbraw/zinc/40/94/16/411409416.db2.gz FKTHINNXMIXIOU-JTQLQIEISA-N 2 2 241.360 0.643 20 0 BCADLP CCC(C)(C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653057936 411409561 /nfs/dbraw/zinc/40/95/61/411409561.db2.gz WYRUVCOYLOLBAN-SECBINFHSA-N 2 2 215.341 0.570 20 0 BCADLP Cc1cccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653065880 411411291 /nfs/dbraw/zinc/41/12/91/411411291.db2.gz XGEHZRFZVZNKNE-CYBMUJFWSA-N 2 2 249.358 0.890 20 0 BCADLP CC(C)[C@H]1CCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653069440 411411794 /nfs/dbraw/zinc/41/17/94/411411794.db2.gz NOTOWDPEDVJKJH-NWDGAFQWSA-N 2 2 241.379 0.912 20 0 BCADLP CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647885738 411414577 /nfs/dbraw/zinc/41/45/77/411414577.db2.gz KXUDMUKUCOTVGM-MNOVXSKESA-N 2 2 248.392 0.351 20 0 BCADLP CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647885738 411414581 /nfs/dbraw/zinc/41/45/81/411414581.db2.gz KXUDMUKUCOTVGM-MNOVXSKESA-N 2 2 248.392 0.351 20 0 BCADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1c[nH+]c[nH]1 ZINC000405264769 411422024 /nfs/dbraw/zinc/42/20/24/411422024.db2.gz RHJKPOPJYJILRO-WCBMZHEXSA-N 2 2 222.292 0.543 20 0 BCADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1c[nH]c[nH+]1 ZINC000405264769 411422029 /nfs/dbraw/zinc/42/20/29/411422029.db2.gz RHJKPOPJYJILRO-WCBMZHEXSA-N 2 2 222.292 0.543 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H](F)C1 ZINC000653609683 411438608 /nfs/dbraw/zinc/43/86/08/411438608.db2.gz ZAMPMBYNTDFHDT-WOPDTQHZSA-N 2 2 232.343 0.979 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H](F)C1 ZINC000653609683 411438611 /nfs/dbraw/zinc/43/86/11/411438611.db2.gz ZAMPMBYNTDFHDT-WOPDTQHZSA-N 2 2 232.343 0.979 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000653609683 411438614 /nfs/dbraw/zinc/43/86/14/411438614.db2.gz ZAMPMBYNTDFHDT-WOPDTQHZSA-N 2 2 232.343 0.979 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000653609683 411438616 /nfs/dbraw/zinc/43/86/16/411438616.db2.gz ZAMPMBYNTDFHDT-WOPDTQHZSA-N 2 2 232.343 0.979 20 0 BCADLP C1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CO1 ZINC000655736886 411443713 /nfs/dbraw/zinc/44/37/13/411443713.db2.gz HTYQPGMNUWDZMC-STQMWFEESA-N 2 2 240.347 0.618 20 0 BCADLP CCO[C@@H]1C[N@H+](Cc2ccno2)C[C@H]1C[NH3+] ZINC000405854247 411443844 /nfs/dbraw/zinc/44/38/44/411443844.db2.gz KSOHBNYLNJRXCQ-MWLCHTKSSA-N 2 2 225.292 0.470 20 0 BCADLP CCO[C@@H]1C[N@@H+](Cc2ccno2)C[C@H]1C[NH3+] ZINC000405854247 411443847 /nfs/dbraw/zinc/44/38/47/411443847.db2.gz KSOHBNYLNJRXCQ-MWLCHTKSSA-N 2 2 225.292 0.470 20 0 BCADLP Cc1ncc(C[NH2+]CCC[NH+](C)C)n1C ZINC000657287844 411446754 /nfs/dbraw/zinc/44/67/54/411446754.db2.gz YPTWNEMLYMEZOQ-UHFFFAOYSA-N 2 2 210.325 0.770 20 0 BCADLP COCCOCC[NH2+]Cc1c[nH+]c(C)n1C ZINC000657329774 411467257 /nfs/dbraw/zinc/46/72/57/411467257.db2.gz VORLOSOBPWKRIM-UHFFFAOYSA-N 2 2 227.308 0.481 20 0 BCADLP Cc1nc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)o1 ZINC000659850464 411476269 /nfs/dbraw/zinc/47/62/69/411476269.db2.gz QCMKTNNWXJWYEH-PHIMTYICSA-N 2 2 221.304 0.943 20 0 BCADLP Cc1nc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)o1 ZINC000659850464 411476272 /nfs/dbraw/zinc/47/62/72/411476272.db2.gz QCMKTNNWXJWYEH-PHIMTYICSA-N 2 2 221.304 0.943 20 0 BCADLP C[NH+]1CCN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000407262492 411476799 /nfs/dbraw/zinc/47/67/99/411476799.db2.gz LCCPPZMQZVXVHZ-VXGBXAGGSA-N 2 2 237.347 0.291 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407284707 411476853 /nfs/dbraw/zinc/47/68/53/411476853.db2.gz FVSIKOIMYVGFAQ-UWVGGRQHSA-N 2 2 234.303 0.557 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407284706 411476939 /nfs/dbraw/zinc/47/69/39/411476939.db2.gz FVSIKOIMYVGFAQ-NXEZZACHSA-N 2 2 234.303 0.557 20 0 BCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407293981 411478347 /nfs/dbraw/zinc/47/83/47/411478347.db2.gz JXUXQDYLFZTTMO-NEPJUHHUSA-N 2 2 248.330 0.530 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407311559 411478885 /nfs/dbraw/zinc/47/88/85/411478885.db2.gz QWBFKEPOBVGSRQ-WDEREUQCSA-N 2 2 248.330 0.567 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407311553 411479309 /nfs/dbraw/zinc/47/93/09/411479309.db2.gz QWBFKEPOBVGSRQ-MNOVXSKESA-N 2 2 248.330 0.567 20 0 BCADLP COCCC[N@H+](C)CCNCc1[nH]cc(C)[nH+]1 ZINC000657379611 411487378 /nfs/dbraw/zinc/48/73/78/411487378.db2.gz BDKZLBJSZNRXOV-UHFFFAOYSA-N 2 2 240.351 0.776 20 0 BCADLP COCCC[N@@H+](C)CCNCc1[nH]cc(C)[nH+]1 ZINC000657379611 411487380 /nfs/dbraw/zinc/48/73/80/411487380.db2.gz BDKZLBJSZNRXOV-UHFFFAOYSA-N 2 2 240.351 0.776 20 0 BCADLP C[C@H](CCO)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657384666 411489517 /nfs/dbraw/zinc/48/95/17/411489517.db2.gz RHUYAFDNDULFEM-SNVBAGLBSA-N 2 2 223.320 0.937 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)CO)n1C ZINC000657410626 411497475 /nfs/dbraw/zinc/49/74/75/411497475.db2.gz BUOLWUSCKCUUAB-UHFFFAOYSA-N 2 2 211.309 0.837 20 0 BCADLP Cc1c[nH]c(CNC[C@](C)(O)C[NH+](C)C)[nH+]1 ZINC000657415288 411499762 /nfs/dbraw/zinc/49/97/62/411499762.db2.gz IDXIRSSJLLVBMK-NSHDSACASA-N 2 2 226.324 0.120 20 0 BCADLP C[C@@H]([NH3+])CNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000659537488 411502859 /nfs/dbraw/zinc/50/28/59/411502859.db2.gz LLSPKJJZKUQQJN-HTQZYQBOSA-N 2 2 225.296 0.128 20 0 BCADLP COC[C@@H](O)CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657421692 411503048 /nfs/dbraw/zinc/50/30/48/411503048.db2.gz ILPXPBSCAIKHJE-NSHDSACASA-N 2 2 239.319 0.316 20 0 BCADLP OC[C@]1([NH2+]Cc2c[nH+]c3n2CCC3)CCOC1 ZINC000657437498 411510763 /nfs/dbraw/zinc/51/07/63/411510763.db2.gz ZRRBOBUPUFECCR-GFCCVEGCSA-N 2 2 237.303 0.070 20 0 BCADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)C(=O)N(C)C ZINC000657447666 411513662 /nfs/dbraw/zinc/51/36/62/411513662.db2.gz PRXYATNXQDXJGY-VIFPVBQESA-N 2 2 236.319 0.396 20 0 BCADLP C[C@@H]1C[C@H]([NH+](C)CCc2c[nH]nn2)CC[N@@H+]1C ZINC000659984669 411520101 /nfs/dbraw/zinc/52/01/01/411520101.db2.gz QRSYZCGGVHCSIK-ZYHUDNBSSA-N 2 2 237.351 0.762 20 0 BCADLP C[C@@H]1C[C@H]([NH+](C)CCc2c[nH]nn2)CC[N@H+]1C ZINC000659984669 411520102 /nfs/dbraw/zinc/52/01/02/411520102.db2.gz QRSYZCGGVHCSIK-ZYHUDNBSSA-N 2 2 237.351 0.762 20 0 BCADLP C[C@@H]1C[C@H]([N@H+](C)CCc2c[nH]nn2)CC[NH+]1C ZINC000659984669 411520103 /nfs/dbraw/zinc/52/01/03/411520103.db2.gz QRSYZCGGVHCSIK-ZYHUDNBSSA-N 2 2 237.351 0.762 20 0 BCADLP C[C@@H]1C[C@H]([N@@H+](C)CCc2c[nH]nn2)CC[NH+]1C ZINC000659984669 411520104 /nfs/dbraw/zinc/52/01/04/411520104.db2.gz QRSYZCGGVHCSIK-ZYHUDNBSSA-N 2 2 237.351 0.762 20 0 BCADLP C[C@@H]1C[C@H]([NH+](C)CCc2cn[nH]n2)CC[N@@H+]1C ZINC000659984669 411520105 /nfs/dbraw/zinc/52/01/05/411520105.db2.gz QRSYZCGGVHCSIK-ZYHUDNBSSA-N 2 2 237.351 0.762 20 0 BCADLP C[C@@H]1C[C@H]([NH+](C)CCc2cn[nH]n2)CC[N@H+]1C ZINC000659984669 411520106 /nfs/dbraw/zinc/52/01/06/411520106.db2.gz QRSYZCGGVHCSIK-ZYHUDNBSSA-N 2 2 237.351 0.762 20 0 BCADLP C[C@@H]1C[C@H]([N@H+](C)CCc2cn[nH]n2)CC[NH+]1C ZINC000659984669 411520107 /nfs/dbraw/zinc/52/01/07/411520107.db2.gz QRSYZCGGVHCSIK-ZYHUDNBSSA-N 2 2 237.351 0.762 20 0 BCADLP C[C@@H]1C[C@H]([N@@H+](C)CCc2cn[nH]n2)CC[NH+]1C ZINC000659984669 411520108 /nfs/dbraw/zinc/52/01/08/411520108.db2.gz QRSYZCGGVHCSIK-ZYHUDNBSSA-N 2 2 237.351 0.762 20 0 BCADLP c1n[nH]cc1CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657471313 411523014 /nfs/dbraw/zinc/52/30/14/411523014.db2.gz RLVBUNHXLMHNQQ-UHFFFAOYSA-N 2 2 231.303 0.885 20 0 BCADLP O=C1C[C@@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CN1 ZINC000659997206 411524232 /nfs/dbraw/zinc/52/42/32/411524232.db2.gz ABDDFMOQZKYDFK-SNVBAGLBSA-N 2 2 248.330 0.725 20 0 BCADLP CN(C)C(=O)C1([NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657491616 411532446 /nfs/dbraw/zinc/53/24/46/411532446.db2.gz ZDHJRQSTTXKVMW-UHFFFAOYSA-N 2 2 248.330 0.540 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCN(C)C2)n1C ZINC000657326461 411466093 /nfs/dbraw/zinc/46/60/93/411466093.db2.gz UGUQKGRVBLPTJA-LLVKDONJSA-N 2 2 222.336 0.912 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC)C[C@H]1C ZINC000362174128 170018354 /nfs/dbraw/zinc/01/83/54/170018354.db2.gz UDXARDLGGYGIGK-MNOVXSKESA-N 2 2 227.352 0.537 20 0 BCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC)C[C@H]1C ZINC000362174128 170018355 /nfs/dbraw/zinc/01/83/55/170018355.db2.gz UDXARDLGGYGIGK-MNOVXSKESA-N 2 2 227.352 0.537 20 0 BCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC)C[C@H]1C ZINC000362174128 170018357 /nfs/dbraw/zinc/01/83/57/170018357.db2.gz UDXARDLGGYGIGK-MNOVXSKESA-N 2 2 227.352 0.537 20 0 BCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC)C[C@H]1C ZINC000362174128 170018358 /nfs/dbraw/zinc/01/83/58/170018358.db2.gz UDXARDLGGYGIGK-MNOVXSKESA-N 2 2 227.352 0.537 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H](C)C1 ZINC000305130879 170020645 /nfs/dbraw/zinc/02/06/45/170020645.db2.gz MZNYLUSXAQBZNU-AVGNSLFASA-N 3 2 243.395 0.229 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H](C)C1 ZINC000305130879 170020647 /nfs/dbraw/zinc/02/06/47/170020647.db2.gz MZNYLUSXAQBZNU-AVGNSLFASA-N 3 2 243.395 0.229 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(O)CCC2)C1 ZINC000336760005 170029235 /nfs/dbraw/zinc/02/92/35/170029235.db2.gz LKRCVAIZYCRVSY-MNOVXSKESA-N 2 2 212.337 0.831 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(O)CCC2)C1 ZINC000336760005 170029236 /nfs/dbraw/zinc/02/92/36/170029236.db2.gz LKRCVAIZYCRVSY-MNOVXSKESA-N 2 2 212.337 0.831 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCC(=O)NC)C1 ZINC000309618515 170031665 /nfs/dbraw/zinc/03/16/65/170031665.db2.gz DMCHLIWJNJMZME-GHMZBOCLSA-N 2 2 227.352 0.442 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCC(=O)NC)C1 ZINC000309618515 170031666 /nfs/dbraw/zinc/03/16/66/170031666.db2.gz DMCHLIWJNJMZME-GHMZBOCLSA-N 2 2 227.352 0.442 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCC(=O)N(C)C)C1 ZINC000358220679 170032018 /nfs/dbraw/zinc/03/20/18/170032018.db2.gz KOONHHOHDRFZAN-VXGBXAGGSA-N 2 2 241.379 0.785 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCC(=O)N(C)C)C1 ZINC000358220679 170032020 /nfs/dbraw/zinc/03/20/20/170032020.db2.gz KOONHHOHDRFZAN-VXGBXAGGSA-N 2 2 241.379 0.785 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CC[C@H](O)COC)[C@@H](C)C1 ZINC000309645107 170035162 /nfs/dbraw/zinc/03/51/62/170035162.db2.gz LZXIPAGUTOIFTJ-SRVKXCTJSA-N 2 2 230.352 0.314 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CCCOCCO)[C@@H](C)C1 ZINC000336776839 170035680 /nfs/dbraw/zinc/03/56/80/170035680.db2.gz GUPOQKGGEBZRLC-RYUDHWBXSA-N 2 2 230.352 0.315 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]C[C@]2(O)CCSC2)[C@@H](C)C1 ZINC000309900887 170036500 /nfs/dbraw/zinc/03/65/00/170036500.db2.gz HPAYVWNJNUVBQJ-SDDRHHMPSA-N 2 2 244.404 0.784 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@]2(O)CCSC2)[C@@H](C)C1 ZINC000309900887 170036501 /nfs/dbraw/zinc/03/65/01/170036501.db2.gz HPAYVWNJNUVBQJ-SDDRHHMPSA-N 2 2 244.404 0.784 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)COC)[C@@H](C)C1 ZINC000336648096 170036688 /nfs/dbraw/zinc/03/66/88/170036688.db2.gz GGQCAVLAUSZRAK-DCAQKATOSA-N 2 2 200.326 0.951 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)COC)[C@@H](C)C1 ZINC000336648096 170036689 /nfs/dbraw/zinc/03/66/89/170036689.db2.gz GGQCAVLAUSZRAK-DCAQKATOSA-N 2 2 200.326 0.951 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCC(=O)NC(C)C)C1 ZINC000358003523 170036709 /nfs/dbraw/zinc/03/67/09/170036709.db2.gz IRORQXPMWNZAOT-NWDGAFQWSA-N 2 2 241.379 0.831 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCC(=O)NC(C)C)C1 ZINC000358003523 170036710 /nfs/dbraw/zinc/03/67/10/170036710.db2.gz IRORQXPMWNZAOT-NWDGAFQWSA-N 2 2 241.379 0.831 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC(C)(C)C(N)=O)C1 ZINC000309956137 170037480 /nfs/dbraw/zinc/03/74/80/170037480.db2.gz IKLAPQQHZOZWKM-VHSXEESVSA-N 2 2 227.352 0.428 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC(C)(C)C(N)=O)C1 ZINC000309956137 170037482 /nfs/dbraw/zinc/03/74/82/170037482.db2.gz IKLAPQQHZOZWKM-VHSXEESVSA-N 2 2 227.352 0.428 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCc2nc(C)n[nH]2)C1 ZINC000355669791 170037915 /nfs/dbraw/zinc/03/79/15/170037915.db2.gz HTJWQPBVFFLUMK-GXSJLCMTSA-N 2 2 237.351 0.585 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCc2nc(C)n[nH]2)C1 ZINC000355669791 170037916 /nfs/dbraw/zinc/03/79/16/170037916.db2.gz HTJWQPBVFFLUMK-GXSJLCMTSA-N 2 2 237.351 0.585 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC000309049903 170038158 /nfs/dbraw/zinc/03/81/58/170038158.db2.gz QKRSPYFJUXUEAU-SDDRHHMPSA-N 2 2 212.337 0.953 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC000309049903 170038160 /nfs/dbraw/zinc/03/81/60/170038160.db2.gz QKRSPYFJUXUEAU-SDDRHHMPSA-N 2 2 212.337 0.953 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)COC)C1 ZINC000336648098 170038639 /nfs/dbraw/zinc/03/86/39/170038639.db2.gz GGQCAVLAUSZRAK-GARJFASQSA-N 2 2 200.326 0.951 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)COC)C1 ZINC000336648098 170038640 /nfs/dbraw/zinc/03/86/40/170038640.db2.gz GGQCAVLAUSZRAK-GARJFASQSA-N 2 2 200.326 0.951 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](CO)CCOC)C1 ZINC000309919485 170039953 /nfs/dbraw/zinc/03/99/53/170039953.db2.gz REISMZCEDAODBI-SDDRHHMPSA-N 2 2 230.352 0.314 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](CO)CCOC)C1 ZINC000309919485 170039955 /nfs/dbraw/zinc/03/99/55/170039955.db2.gz REISMZCEDAODBI-SDDRHHMPSA-N 2 2 230.352 0.314 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000355334336 170059779 /nfs/dbraw/zinc/05/97/79/170059779.db2.gz NQEUEPQLKJIBQS-JTQLQIEISA-N 2 2 213.325 0.006 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000355334336 170059781 /nfs/dbraw/zinc/05/97/81/170059781.db2.gz NQEUEPQLKJIBQS-JTQLQIEISA-N 2 2 213.325 0.006 20 0 BCADLP CCNC(=O)[C@@H]([NH2+]Cc1c[nH+]cn1C)C(C)C ZINC000293251486 170092295 /nfs/dbraw/zinc/09/22/95/170092295.db2.gz LZVHWXGCVZJKIZ-NSHDSACASA-N 2 2 238.335 0.670 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)[C@@H]1CCOC1 ZINC000657541054 411546651 /nfs/dbraw/zinc/54/66/51/411546651.db2.gz JKCAZCBFJLPNDQ-UMSGYPCISA-N 2 2 242.363 0.578 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)[C@@H]1CCOC1 ZINC000657541054 411546652 /nfs/dbraw/zinc/54/66/52/411546652.db2.gz JKCAZCBFJLPNDQ-UMSGYPCISA-N 2 2 242.363 0.578 20 0 BCADLP CCOC(=O)C[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000366740725 170225587 /nfs/dbraw/zinc/22/55/87/170225587.db2.gz AEVPGCQRJSMYRX-JTQLQIEISA-N 2 2 237.303 0.598 20 0 BCADLP CN(C)c1cc[nH+]cc1C[NH2+]C/C=C\CO ZINC000657592708 411556467 /nfs/dbraw/zinc/55/64/67/411556467.db2.gz AKIUJCMLBQSUDS-ARJAWSKDSA-N 2 2 221.304 0.786 20 0 BCADLP CC[C@@H](O)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000657643597 411569839 /nfs/dbraw/zinc/56/98/39/411569839.db2.gz URKXJJFFWNAMCK-JBLDHEPKSA-N 2 2 212.337 0.972 20 0 BCADLP CC[C@@H](O)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000657643597 411569840 /nfs/dbraw/zinc/56/98/40/411569840.db2.gz URKXJJFFWNAMCK-JBLDHEPKSA-N 2 2 212.337 0.972 20 0 BCADLP Cc1cc(NC2C[NH2+]C2)nc(C2CC2)[nH+]1 ZINC000563659688 411644477 /nfs/dbraw/zinc/64/44/77/411644477.db2.gz ACEFTDOXZVQHIV-UHFFFAOYSA-N 2 2 204.277 1.046 20 0 BCADLP Cc1cncc(CC[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC000657712495 411586152 /nfs/dbraw/zinc/58/61/52/411586152.db2.gz WFVFOMSRISXICB-ZWNOBZJWSA-N 2 2 234.347 0.867 20 0 BCADLP Cc1cncc(CC[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)n1 ZINC000657712495 411586155 /nfs/dbraw/zinc/58/61/55/411586155.db2.gz WFVFOMSRISXICB-ZWNOBZJWSA-N 2 2 234.347 0.867 20 0 BCADLP C[C@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660472374 411590258 /nfs/dbraw/zinc/59/02/58/411590258.db2.gz FMPYADPLIPBXAT-QWHCGFSZSA-N 2 2 242.363 0.554 20 0 BCADLP C[C@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660472374 411590260 /nfs/dbraw/zinc/59/02/60/411590260.db2.gz FMPYADPLIPBXAT-QWHCGFSZSA-N 2 2 242.363 0.554 20 0 BCADLP C[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660472371 411590533 /nfs/dbraw/zinc/59/05/33/411590533.db2.gz FMPYADPLIPBXAT-CHWSQXEVSA-N 2 2 242.363 0.554 20 0 BCADLP C[C@@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660472371 411590534 /nfs/dbraw/zinc/59/05/34/411590534.db2.gz FMPYADPLIPBXAT-CHWSQXEVSA-N 2 2 242.363 0.554 20 0 BCADLP CCOC[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336654805 170447802 /nfs/dbraw/zinc/44/78/02/170447802.db2.gz NABDBWFEXIOSTI-DCAQKATOSA-N 2 2 200.326 0.951 20 0 BCADLP CCOC[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336654805 170447804 /nfs/dbraw/zinc/44/78/04/170447804.db2.gz NABDBWFEXIOSTI-DCAQKATOSA-N 2 2 200.326 0.951 20 0 BCADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](O)C2)C[N@@H+]1C1CC1 ZINC000657809206 411601531 /nfs/dbraw/zinc/60/15/31/411601531.db2.gz HODLAJCFWXTTLG-GMOBBJLQSA-N 2 2 210.321 0.725 20 0 BCADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](O)C2)C[N@H+]1C1CC1 ZINC000657809206 411601533 /nfs/dbraw/zinc/60/15/33/411601533.db2.gz HODLAJCFWXTTLG-GMOBBJLQSA-N 2 2 210.321 0.725 20 0 BCADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1C[C@H](O)C1 ZINC000657809867 411602468 /nfs/dbraw/zinc/60/24/68/411602468.db2.gz RUNMNIAUNCZXNV-XYPYZODXSA-N 2 2 221.304 0.761 20 0 BCADLP C[C@H](C[NH2+][C@@H](C)Cn1cncn1)[NH+](C)C ZINC000657872490 411613907 /nfs/dbraw/zinc/61/39/07/411613907.db2.gz PRRFTGHLPYSXSC-VHSXEESVSA-N 2 2 211.313 0.206 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000657874826 411615103 /nfs/dbraw/zinc/61/51/03/411615103.db2.gz BGICNJPKFIFGBZ-GHMZBOCLSA-N 2 2 228.336 0.210 20 0 BCADLP c1cn(C[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)nn1 ZINC000661145414 411718700 /nfs/dbraw/zinc/71/87/00/411718700.db2.gz LLZBEWFWTTWJHM-GFCCVEGCSA-N 2 2 246.318 0.497 20 0 BCADLP c1cn(C[C@@H]2CC[N@H+](CCn3cc[nH+]c3)C2)nn1 ZINC000661145414 411718703 /nfs/dbraw/zinc/71/87/03/411718703.db2.gz LLZBEWFWTTWJHM-GFCCVEGCSA-N 2 2 246.318 0.497 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663590807 411707069 /nfs/dbraw/zinc/70/70/69/411707069.db2.gz KZGGAQFTMSPEOW-GFCCVEGCSA-N 2 2 234.303 0.685 20 0 BCADLP CC(C)OCC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000133329169 411711255 /nfs/dbraw/zinc/71/12/55/411711255.db2.gz HNFJCOIELDEOPZ-GHMZBOCLSA-N 2 2 216.325 0.459 20 0 BCADLP CC(C)OCC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000133329169 411711257 /nfs/dbraw/zinc/71/12/57/411711257.db2.gz HNFJCOIELDEOPZ-GHMZBOCLSA-N 2 2 216.325 0.459 20 0 BCADLP CCOCCC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000133341274 411712884 /nfs/dbraw/zinc/71/28/84/411712884.db2.gz VBOPOURMUHDCMR-MNOVXSKESA-N 2 2 216.325 0.461 20 0 BCADLP CCOCCC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000133341274 411712889 /nfs/dbraw/zinc/71/28/89/411712889.db2.gz VBOPOURMUHDCMR-MNOVXSKESA-N 2 2 216.325 0.461 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)CC[C@H]1[NH3+] ZINC000663494376 411672978 /nfs/dbraw/zinc/67/29/78/411672978.db2.gz IPBJEFWMSWEKDO-KKOKHZNYSA-N 3 2 209.337 0.265 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)CC[C@H]1[NH3+] ZINC000663494376 411672979 /nfs/dbraw/zinc/67/29/79/411672979.db2.gz IPBJEFWMSWEKDO-KKOKHZNYSA-N 3 2 209.337 0.265 20 0 BCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494920 411674344 /nfs/dbraw/zinc/67/43/44/411674344.db2.gz LNRRRTIMMWKVKN-KKOKHZNYSA-N 3 2 209.337 0.265 20 0 BCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494920 411674346 /nfs/dbraw/zinc/67/43/46/411674346.db2.gz LNRRRTIMMWKVKN-KKOKHZNYSA-N 3 2 209.337 0.265 20 0 BCADLP CCC([NH3+])(CC)C[NH2+]C[C@]12C[C@H]1C[NH2+]C2 ZINC000663495595 411675156 /nfs/dbraw/zinc/67/51/56/411675156.db2.gz ZLSPIBIKPCWWMF-WDEREUQCSA-N 3 2 211.353 0.703 20 0 BCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@]12C[C@H]1C[NH2+]C2 ZINC000663496249 411677643 /nfs/dbraw/zinc/67/76/43/411677643.db2.gz FICXMEGDRABFGM-IRCOFANPSA-N 3 2 209.337 0.455 20 0 BCADLP C[C@H](C[NH3+])C[NH2+]Cc1nc2c(s1)C[NH2+]CC2 ZINC000663497381 411678510 /nfs/dbraw/zinc/67/85/10/411678510.db2.gz NFCQLRNOKZSDEK-MRVPVSSYSA-N 3 2 240.376 0.473 20 0 BCADLP [NH3+][C@H]1CCC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000663500611 411683112 /nfs/dbraw/zinc/68/31/12/411683112.db2.gz LUJYGUAXQFXVIQ-LVFLEHKBSA-N 3 2 209.337 0.598 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000663500609 411683628 /nfs/dbraw/zinc/68/36/28/411683628.db2.gz LUJYGUAXQFXVIQ-BFUDSRACSA-N 3 2 209.337 0.598 20 0 BCADLP C([NH2+][C@H]1CCC[NH2+]CC1)C12CC(C1)C[NH2+]2 ZINC000663501504 411686217 /nfs/dbraw/zinc/68/62/17/411686217.db2.gz WWBVUWRSYKGPCC-CXQJBGSLSA-N 3 2 209.337 0.470 20 0 BCADLP NC(=O)c1cccc(C[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000663501969 411686330 /nfs/dbraw/zinc/68/63/30/411686330.db2.gz LZIBRFHGZDHKMV-UHFFFAOYSA-N 2 2 245.326 0.627 20 0 BCADLP c1cncc(C[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000663502870 411688417 /nfs/dbraw/zinc/68/84/17/411688417.db2.gz YQYSXCLEICWUJT-UHFFFAOYSA-N 2 2 203.289 0.923 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cnn(CCOC)c1 ZINC000663509550 411691742 /nfs/dbraw/zinc/69/17/42/411691742.db2.gz ZQCBNRPJUOUVME-SNVBAGLBSA-N 2 2 226.324 0.227 20 0 BCADLP CCn1nccc1C[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC000663510297 411692852 /nfs/dbraw/zinc/69/28/52/411692852.db2.gz DCTNWTCQRWBZPI-GHMZBOCLSA-N 2 2 222.336 0.991 20 0 BCADLP c1cc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)nc(C2CC2)[nH+]1 ZINC000634810192 411702764 /nfs/dbraw/zinc/70/27/64/411702764.db2.gz PFBYXIWQHGMSIY-JZYVYDRUSA-N 2 2 216.288 0.984 20 0 BCADLP Cc1cn2ccc(C(=O)NCC[NH+](C)C)cc2[nH+]1 ZINC000071540810 411742792 /nfs/dbraw/zinc/74/27/92/411742792.db2.gz QZMNONYINZQYCG-UHFFFAOYSA-N 2 2 246.314 0.934 20 0 BCADLP Cc1cc(N[C@@H](CO)C[NH+](C)C)nc[nH+]1 ZINC000663910860 411771326 /nfs/dbraw/zinc/77/13/26/411771326.db2.gz QJTDKTDGPOBXOY-SECBINFHSA-N 2 2 210.281 0.119 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1COCCO1 ZINC000661611713 411815691 /nfs/dbraw/zinc/81/56/91/411815691.db2.gz MYNMHAROSDCSDL-GFCCVEGCSA-N 2 2 239.319 0.620 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1COCCO1 ZINC000661611713 411815695 /nfs/dbraw/zinc/81/56/95/411815695.db2.gz MYNMHAROSDCSDL-GFCCVEGCSA-N 2 2 239.319 0.620 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)C[C@@H]1COCCO1 ZINC000661612302 411817018 /nfs/dbraw/zinc/81/70/18/411817018.db2.gz QISSAWHPCRITKQ-LLVKDONJSA-N 2 2 225.292 0.230 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)C[C@@H]1COCCO1 ZINC000661612302 411817021 /nfs/dbraw/zinc/81/70/21/411817021.db2.gz QISSAWHPCRITKQ-LLVKDONJSA-N 2 2 225.292 0.230 20 0 BCADLP C[C@H]1C[NH+](CCc2c[nH+]cn2C)C[C@H](C)C1O ZINC000661621603 411820187 /nfs/dbraw/zinc/82/01/87/411820187.db2.gz OASWDRAVQLAJSO-QWRGUYRKSA-N 2 2 237.347 0.911 20 0 BCADLP C[C@@H](Nc1cc[nH+]c(C2CC2)n1)[C@H](C)[NH3+] ZINC000420271329 411829631 /nfs/dbraw/zinc/82/96/31/411829631.db2.gz VNTPMAPPXTWXIO-JGVFFNPUSA-N 2 2 206.293 1.502 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NC(C)(C)C ZINC000133595584 411851790 /nfs/dbraw/zinc/85/17/90/411851790.db2.gz HYRQBKVMVUQCPI-UWVGGRQHSA-N 2 2 227.352 0.713 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NC(C)(C)C ZINC000133595584 411851792 /nfs/dbraw/zinc/85/17/92/411851792.db2.gz HYRQBKVMVUQCPI-UWVGGRQHSA-N 2 2 227.352 0.713 20 0 BCADLP CC[NH2+]Cc1cn(Cc2cc[nH+]c(N)c2)nn1 ZINC000641068020 411859457 /nfs/dbraw/zinc/85/94/57/411859457.db2.gz HLGDNJFCJVYCOV-UHFFFAOYSA-N 2 2 232.291 0.413 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000353164285 411884799 /nfs/dbraw/zinc/88/47/99/411884799.db2.gz FGEYHDJARDVJQO-ZJUUUORDSA-N 2 2 234.303 0.990 20 0 BCADLP CN1CC[N@H+](CC[C@H]2CCC[NH+]2C)CCC1=O ZINC000661807117 411887585 /nfs/dbraw/zinc/88/75/85/411887585.db2.gz MGBAQZMJAGCFGL-GFCCVEGCSA-N 2 2 239.363 0.635 20 0 BCADLP CN1CC[N@@H+](CC[C@H]2CCC[NH+]2C)CCC1=O ZINC000661807117 411887588 /nfs/dbraw/zinc/88/75/88/411887588.db2.gz MGBAQZMJAGCFGL-GFCCVEGCSA-N 2 2 239.363 0.635 20 0 BCADLP CN1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CCC1=O ZINC000661807117 411887593 /nfs/dbraw/zinc/88/75/93/411887593.db2.gz MGBAQZMJAGCFGL-GFCCVEGCSA-N 2 2 239.363 0.635 20 0 BCADLP CN1CC[NH+](CC[C@H]2CCC[N@H+]2C)CCC1=O ZINC000661807117 411887594 /nfs/dbraw/zinc/88/75/94/411887594.db2.gz MGBAQZMJAGCFGL-GFCCVEGCSA-N 2 2 239.363 0.635 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(N)nc1 ZINC000647547069 411904787 /nfs/dbraw/zinc/90/47/87/411904787.db2.gz MLDQXNZXLFQBAI-KOLCDFICSA-N 2 2 220.320 0.751 20 0 BCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccnc(N)c1 ZINC000420357057 411906661 /nfs/dbraw/zinc/90/66/61/411906661.db2.gz DCUPSVMUVMSLGE-NRUUGDAUSA-N 2 2 234.347 1.140 20 0 BCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc[nH+]c(N)c1 ZINC000528682856 411910063 /nfs/dbraw/zinc/91/00/63/411910063.db2.gz ZMMOKVYBRQVOEP-NSHDSACASA-N 2 2 248.330 0.716 20 0 BCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cc[nH+]c(N)c1 ZINC000528682856 411910066 /nfs/dbraw/zinc/91/00/66/411910066.db2.gz ZMMOKVYBRQVOEP-NSHDSACASA-N 2 2 248.330 0.716 20 0 BCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000582003458 411915836 /nfs/dbraw/zinc/91/58/36/411915836.db2.gz KSBOIKWDKLLZPB-CBAPKCEASA-N 2 2 220.276 0.600 20 0 BCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]3C[C@H]3C2)CC1 ZINC000661969609 411927162 /nfs/dbraw/zinc/92/71/62/411927162.db2.gz CWWPTEWEBLURDW-RYUDHWBXSA-N 2 2 237.347 0.102 20 0 BCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]3C[C@H]3C2)CC1 ZINC000661969609 411927168 /nfs/dbraw/zinc/92/71/68/411927168.db2.gz CWWPTEWEBLURDW-RYUDHWBXSA-N 2 2 237.347 0.102 20 0 BCADLP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000417781931 411930315 /nfs/dbraw/zinc/93/03/15/411930315.db2.gz KSXNDFZCUBMDEN-WCBMZHEXSA-N 2 2 234.303 0.990 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cnc(N)s1 ZINC000414932960 411931020 /nfs/dbraw/zinc/93/10/20/411931020.db2.gz RNLPJOXPPIJMLQ-IONNQARKSA-N 2 2 226.349 0.813 20 0 BCADLP Nc1cc(CN(C2CC2)[C@H]2CC[NH2+]C2)cc[nH+]1 ZINC000420324267 411941008 /nfs/dbraw/zinc/94/10/08/411941008.db2.gz UWTQENAPEMRAFL-LBPRGKRZSA-N 2 2 232.331 0.990 20 0 BCADLP CSCC[C@@H]([NH3+])C(=O)Nc1ccc(N)[nH+]c1 ZINC000583872243 411871990 /nfs/dbraw/zinc/87/19/90/411871990.db2.gz VLFQZJLIXIKCKZ-MRVPVSSYSA-N 2 2 240.332 0.683 20 0 BCADLP Nc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc[nH+]1 ZINC000647979545 411941601 /nfs/dbraw/zinc/94/16/01/411941601.db2.gz NMDKJSILXBFSQM-BETUJISGSA-N 3 2 246.358 1.095 20 0 BCADLP Nc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc[nH+]1 ZINC000647979545 411941609 /nfs/dbraw/zinc/94/16/09/411941609.db2.gz NMDKJSILXBFSQM-BETUJISGSA-N 3 2 246.358 1.095 20 0 BCADLP C[N@H+](Cc1ccnc(N)c1)[C@H](C[NH3+])C1CC1 ZINC000563149693 411882955 /nfs/dbraw/zinc/88/29/55/411882955.db2.gz HMVNAVBLWWMSFT-LLVKDONJSA-N 2 2 220.320 0.833 20 0 BCADLP C[N@@H+](Cc1ccnc(N)c1)[C@H](C[NH3+])C1CC1 ZINC000563149693 411882960 /nfs/dbraw/zinc/88/29/60/411882960.db2.gz HMVNAVBLWWMSFT-LLVKDONJSA-N 2 2 220.320 0.833 20 0 BCADLP Cc1nc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)nc(N)[nH+]1 ZINC000383608077 411968817 /nfs/dbraw/zinc/96/88/17/411968817.db2.gz RXMAUPQLDNKZRP-CBAPKCEASA-N 2 2 236.323 0.657 20 0 BCADLP Cc1nc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)nc(N)[nH+]1 ZINC000383608077 411968821 /nfs/dbraw/zinc/96/88/21/411968821.db2.gz RXMAUPQLDNKZRP-CBAPKCEASA-N 2 2 236.323 0.657 20 0 BCADLP Cc1nc(N)nc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)[nH+]1 ZINC000383608077 411968827 /nfs/dbraw/zinc/96/88/27/411968827.db2.gz RXMAUPQLDNKZRP-CBAPKCEASA-N 2 2 236.323 0.657 20 0 BCADLP Cc1nc(N)nc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)[nH+]1 ZINC000383608077 411968830 /nfs/dbraw/zinc/96/88/30/411968830.db2.gz RXMAUPQLDNKZRP-CBAPKCEASA-N 2 2 236.323 0.657 20 0 BCADLP Nc1nc(-n2cccn2)cc(N[C@@H]2CC[NH2+]C2)[nH+]1 ZINC000630547502 411972379 /nfs/dbraw/zinc/97/23/79/411972379.db2.gz MOLCJINBHGZJIN-MRVPVSSYSA-N 2 2 245.290 0.018 20 0 BCADLP Nc1cc(C[N@@H+]2CCCC[C@H]2C[NH3+])ccn1 ZINC000420288483 411976277 /nfs/dbraw/zinc/97/62/77/411976277.db2.gz HCEDXFNKNGWJOR-NSHDSACASA-N 2 2 220.320 0.977 20 0 BCADLP Nc1cc(C[N@H+]2CCCC[C@H]2C[NH3+])ccn1 ZINC000420288483 411976281 /nfs/dbraw/zinc/97/62/81/411976281.db2.gz HCEDXFNKNGWJOR-NSHDSACASA-N 2 2 220.320 0.977 20 0 BCADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)C[C@@]1(C)CO ZINC000662140555 412001361 /nfs/dbraw/zinc/00/13/61/412001361.db2.gz CQTDZJQNFGZEBL-RYUDHWBXSA-N 2 2 223.320 0.833 20 0 BCADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@@]1(C)CO ZINC000662140555 412001362 /nfs/dbraw/zinc/00/13/62/412001362.db2.gz CQTDZJQNFGZEBL-RYUDHWBXSA-N 2 2 223.320 0.833 20 0 BCADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@]1(C)CO ZINC000662144292 412006256 /nfs/dbraw/zinc/00/62/56/412006256.db2.gz SKEFPTALECANRI-DGCLKSJQSA-N 2 2 237.347 0.913 20 0 BCADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@]1(C)CO ZINC000662144292 412006260 /nfs/dbraw/zinc/00/62/60/412006260.db2.gz SKEFPTALECANRI-DGCLKSJQSA-N 2 2 237.347 0.913 20 0 BCADLP Nc1ccc(NC(=O)CC[C@@H]2CC[NH2+]C2)c[nH+]1 ZINC000517742317 411956500 /nfs/dbraw/zinc/95/65/00/411956500.db2.gz RDNXGGZFAQCBSQ-SECBINFHSA-N 2 2 234.303 0.992 20 0 BCADLP Nc1ccc(NC(=O)C2=CC[C@@H]([NH3+])C2)c[nH+]1 ZINC000637829238 411957332 /nfs/dbraw/zinc/95/73/32/411957332.db2.gz ZQOZQRTZZTWDHG-MRVPVSSYSA-N 2 2 218.260 0.650 20 0 BCADLP Nc1ccc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cn1 ZINC000634733826 411958031 /nfs/dbraw/zinc/95/80/31/411958031.db2.gz PELUGRVOOSPEBR-YPMHNXCESA-N 2 2 232.331 0.896 20 0 BCADLP Nc1ccc(C[NH2+]CCCn2cc[nH+]c2)cn1 ZINC000647551059 411958075 /nfs/dbraw/zinc/95/80/75/411958075.db2.gz WREZFLQUTAPBIY-UHFFFAOYSA-N 2 2 231.303 1.040 20 0 BCADLP Cn1ncc2c1nc(N)[nH+]c2NC1CC[NH2+]CC1 ZINC000634807598 411958443 /nfs/dbraw/zinc/95/84/43/411958443.db2.gz UKLDDFKSLNZSKP-UHFFFAOYSA-N 2 2 247.306 0.109 20 0 BCADLP Nc1ncc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000647542303 411961667 /nfs/dbraw/zinc/96/16/67/411961667.db2.gz NBDIRBNEPOWKDX-SCZZXKLOSA-N 2 2 238.360 0.909 20 0 BCADLP Nc1ncc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000647542303 411961671 /nfs/dbraw/zinc/96/16/71/411961671.db2.gz NBDIRBNEPOWKDX-SCZZXKLOSA-N 2 2 238.360 0.909 20 0 BCADLP Nc1ncc(C[NH2+]C[C@@H]2CCCC[NH2+]2)s1 ZINC000647546657 411962600 /nfs/dbraw/zinc/96/26/00/411962600.db2.gz UTPNENQYFSNKGF-QMMMGPOBSA-N 2 2 226.349 0.957 20 0 BCADLP Nc1ncc(C[NH2+][C@@H]2CCC[NH2+]C2)s1 ZINC000569221485 411963652 /nfs/dbraw/zinc/96/36/52/411963652.db2.gz CSJPXEYKXLAYCL-SSDOTTSWSA-N 2 2 212.322 0.567 20 0 BCADLP C[C@@H](C[NH+](C)C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000664894892 412040459 /nfs/dbraw/zinc/04/04/59/412040459.db2.gz ATXBODABQAVUIQ-VIFPVBQESA-N 2 2 239.323 0.501 20 0 BCADLP C[C@@H](C[NH+](C)C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000664894892 412040462 /nfs/dbraw/zinc/04/04/62/412040462.db2.gz ATXBODABQAVUIQ-VIFPVBQESA-N 2 2 239.323 0.501 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000662244696 412041169 /nfs/dbraw/zinc/04/11/69/412041169.db2.gz JTASGPQKCJQDIY-BDAKNGLRSA-N 2 2 220.263 0.834 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+]1CCO[C@H]1CC1(F)F ZINC000662244696 412041171 /nfs/dbraw/zinc/04/11/71/412041171.db2.gz JTASGPQKCJQDIY-BDAKNGLRSA-N 2 2 220.263 0.834 20 0 BCADLP COC[C@@H](C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000662244518 412042183 /nfs/dbraw/zinc/04/21/83/412042183.db2.gz HJZFQGULNBDRMF-GRYCIOLGSA-N 2 2 228.336 0.474 20 0 BCADLP COC[C@@H](C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000662244518 412042184 /nfs/dbraw/zinc/04/21/84/412042184.db2.gz HJZFQGULNBDRMF-GRYCIOLGSA-N 2 2 228.336 0.474 20 0 BCADLP CCC[N@H+](C[C@@H](COC)OC)[C@@H]1CC[NH2+]C1 ZINC000662246121 412042602 /nfs/dbraw/zinc/04/26/02/412042602.db2.gz PRJJUPZJCGYURQ-NEPJUHHUSA-N 2 2 230.352 0.722 20 0 BCADLP CCC[N@@H+](C[C@@H](COC)OC)[C@@H]1CC[NH2+]C1 ZINC000662246121 412042605 /nfs/dbraw/zinc/04/26/05/412042605.db2.gz PRJJUPZJCGYURQ-NEPJUHHUSA-N 2 2 230.352 0.722 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](COC)OC ZINC000662247063 412044754 /nfs/dbraw/zinc/04/47/54/412044754.db2.gz XSPZWNJITUKYPM-WDEREUQCSA-N 2 2 216.325 0.332 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H](COC)OC ZINC000662247063 412044757 /nfs/dbraw/zinc/04/47/57/412044757.db2.gz XSPZWNJITUKYPM-WDEREUQCSA-N 2 2 216.325 0.332 20 0 BCADLP CC[N@H+](C[C@H]1CCOC1)C[C@@H]1C[NH2+]CCO1 ZINC000662252246 412050200 /nfs/dbraw/zinc/05/02/00/412050200.db2.gz MXFOWASFEHAIOT-NEPJUHHUSA-N 2 2 228.336 0.333 20 0 BCADLP CC[N@@H+](C[C@H]1CCOC1)C[C@@H]1C[NH2+]CCO1 ZINC000662252246 412050201 /nfs/dbraw/zinc/05/02/01/412050201.db2.gz MXFOWASFEHAIOT-NEPJUHHUSA-N 2 2 228.336 0.333 20 0 BCADLP CCOC[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662257568 412051239 /nfs/dbraw/zinc/05/12/39/412051239.db2.gz DWEOYXXQJSDJSH-NEPJUHHUSA-N 2 2 228.336 0.333 20 0 BCADLP CCOC[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662257568 412051245 /nfs/dbraw/zinc/05/12/45/412051245.db2.gz DWEOYXXQJSDJSH-NEPJUHHUSA-N 2 2 228.336 0.333 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000662259060 412052994 /nfs/dbraw/zinc/05/29/94/412052994.db2.gz PHOOSOJBGDFJAR-FRRDWIJNSA-N 2 2 240.347 0.476 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000662259060 412052995 /nfs/dbraw/zinc/05/29/95/412052995.db2.gz PHOOSOJBGDFJAR-FRRDWIJNSA-N 2 2 240.347 0.476 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000662259062 412054827 /nfs/dbraw/zinc/05/48/27/412054827.db2.gz PHOOSOJBGDFJAR-UPJWGTAASA-N 2 2 240.347 0.476 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000662259062 412054829 /nfs/dbraw/zinc/05/48/29/412054829.db2.gz PHOOSOJBGDFJAR-UPJWGTAASA-N 2 2 240.347 0.476 20 0 BCADLP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H](C[NH3+])C1CC1 ZINC000662272651 412062153 /nfs/dbraw/zinc/06/21/53/412062153.db2.gz HKNOYPGYDJQYOJ-NWDGAFQWSA-N 3 2 239.363 0.177 20 0 BCADLP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H](C[NH3+])C1CC1 ZINC000662272651 412062156 /nfs/dbraw/zinc/06/21/56/412062156.db2.gz HKNOYPGYDJQYOJ-NWDGAFQWSA-N 3 2 239.363 0.177 20 0 BCADLP CC[C@@H]1C[N@H+](CCn2cc[nH+]c2)CCO1 ZINC000161700924 171084805 /nfs/dbraw/zinc/08/48/05/171084805.db2.gz IXBRHCJCXILVAY-LLVKDONJSA-N 2 2 209.293 0.994 20 0 BCADLP CC[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CCO1 ZINC000161700924 171084808 /nfs/dbraw/zinc/08/48/08/171084808.db2.gz IXBRHCJCXILVAY-LLVKDONJSA-N 2 2 209.293 0.994 20 0 BCADLP [NH3+]CC[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662273756 412064504 /nfs/dbraw/zinc/06/45/04/412064504.db2.gz ZWGJNEINKKNYRM-NWDGAFQWSA-N 3 2 227.352 0.036 20 0 BCADLP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662273756 412064508 /nfs/dbraw/zinc/06/45/08/412064508.db2.gz ZWGJNEINKKNYRM-NWDGAFQWSA-N 3 2 227.352 0.036 20 0 BCADLP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662273199 412064979 /nfs/dbraw/zinc/06/49/79/412064979.db2.gz MVYSXCMIHGZKLS-NEPJUHHUSA-N 3 2 227.352 0.178 20 0 BCADLP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662273199 412064984 /nfs/dbraw/zinc/06/49/84/412064984.db2.gz MVYSXCMIHGZKLS-NEPJUHHUSA-N 3 2 227.352 0.178 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000289967416 171149726 /nfs/dbraw/zinc/14/97/26/171149726.db2.gz NDRKKNBPIKFOAO-MNOVXSKESA-N 2 2 236.319 0.387 20 0 BCADLP CC[C@H](C(=O)N[C@H](C)Cn1cc[nH+]c1)[NH+](C)C ZINC000268744559 171233098 /nfs/dbraw/zinc/23/30/98/171233098.db2.gz DWZLWFUHIGBGAR-GHMZBOCLSA-N 2 2 238.335 0.728 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374207743 171242383 /nfs/dbraw/zinc/24/23/83/171242383.db2.gz KFYIINAVCVTDHM-LLVKDONJSA-N 2 2 236.319 0.853 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374207743 171242384 /nfs/dbraw/zinc/24/23/84/171242384.db2.gz KFYIINAVCVTDHM-LLVKDONJSA-N 2 2 236.319 0.853 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000309386264 171245676 /nfs/dbraw/zinc/24/56/76/171245676.db2.gz SEOICCAIBVWAQN-PWSUYJOCSA-N 2 2 225.336 0.278 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000309386264 171245678 /nfs/dbraw/zinc/24/56/78/171245678.db2.gz SEOICCAIBVWAQN-PWSUYJOCSA-N 2 2 225.336 0.278 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000309386264 171245680 /nfs/dbraw/zinc/24/56/80/171245680.db2.gz SEOICCAIBVWAQN-PWSUYJOCSA-N 2 2 225.336 0.278 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000309386264 171245681 /nfs/dbraw/zinc/24/56/81/171245681.db2.gz SEOICCAIBVWAQN-PWSUYJOCSA-N 2 2 225.336 0.278 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040601150 171324855 /nfs/dbraw/zinc/32/48/55/171324855.db2.gz FLJISTAEVZMIHQ-NWDGAFQWSA-N 2 2 241.379 0.833 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040601150 171324857 /nfs/dbraw/zinc/32/48/57/171324857.db2.gz FLJISTAEVZMIHQ-NWDGAFQWSA-N 2 2 241.379 0.833 20 0 BCADLP Cc1cccnc1C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285093 412078151 /nfs/dbraw/zinc/07/81/51/412078151.db2.gz WKBBXAFMZXTCLR-UHFFFAOYSA-N 2 2 235.331 0.594 20 0 BCADLP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221298406 171331526 /nfs/dbraw/zinc/33/15/26/171331526.db2.gz CKZSNCKGEGIEJN-TUAOUCFPSA-N 2 2 241.379 0.831 20 0 BCADLP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221298406 171331527 /nfs/dbraw/zinc/33/15/27/171331527.db2.gz CKZSNCKGEGIEJN-TUAOUCFPSA-N 2 2 241.379 0.831 20 0 BCADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221298517 171334113 /nfs/dbraw/zinc/33/41/13/171334113.db2.gz CKZSNCKGEGIEJN-SRVKXCTJSA-N 2 2 241.379 0.831 20 0 BCADLP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221298517 171334115 /nfs/dbraw/zinc/33/41/15/171334115.db2.gz CKZSNCKGEGIEJN-SRVKXCTJSA-N 2 2 241.379 0.831 20 0 BCADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071147651 171334399 /nfs/dbraw/zinc/33/43/99/171334399.db2.gz CKZSNCKGEGIEJN-SDDRHHMPSA-N 2 2 241.379 0.831 20 0 BCADLP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071147651 171334400 /nfs/dbraw/zinc/33/44/00/171334400.db2.gz CKZSNCKGEGIEJN-SDDRHHMPSA-N 2 2 241.379 0.831 20 0 BCADLP CC(C)(CC[N@H+](CC[NH3+])C[C@H](O)CO)C1CC1 ZINC000662288265 412079676 /nfs/dbraw/zinc/07/96/76/412079676.db2.gz NEOHUMQXZYJESG-LBPRGKRZSA-N 2 2 244.379 0.427 20 0 BCADLP CC(C)(CC[N@@H+](CC[NH3+])C[C@H](O)CO)C1CC1 ZINC000662288265 412079681 /nfs/dbraw/zinc/07/96/81/412079681.db2.gz NEOHUMQXZYJESG-LBPRGKRZSA-N 2 2 244.379 0.427 20 0 BCADLP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)CC(C)(C)[NH3+] ZINC000662293282 412080938 /nfs/dbraw/zinc/08/09/38/412080938.db2.gz FTTHNEGNSNKIJI-JTQLQIEISA-N 3 2 227.352 0.177 20 0 BCADLP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)CC(C)(C)[NH3+] ZINC000662293282 412080941 /nfs/dbraw/zinc/08/09/41/412080941.db2.gz FTTHNEGNSNKIJI-JTQLQIEISA-N 3 2 227.352 0.177 20 0 BCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000040462033 171395112 /nfs/dbraw/zinc/39/51/12/171395112.db2.gz XQEVGOFTPCKMSZ-AXFHLTTASA-N 2 2 238.335 0.761 20 0 BCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1[nH]cc[nH+]1 ZINC000070646664 171395723 /nfs/dbraw/zinc/39/57/23/171395723.db2.gz IDNNENMRCGLFRJ-CBAPKCEASA-N 2 2 210.281 0.399 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000662314657 412097032 /nfs/dbraw/zinc/09/70/32/412097032.db2.gz AIWBZLNTJQKJPP-GHMZBOCLSA-N 2 2 225.336 0.278 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000662314657 412097035 /nfs/dbraw/zinc/09/70/35/412097035.db2.gz AIWBZLNTJQKJPP-GHMZBOCLSA-N 2 2 225.336 0.278 20 0 BCADLP CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000662315830 412097051 /nfs/dbraw/zinc/09/70/51/412097051.db2.gz HLMSHJFTEOEVFY-GHMZBOCLSA-N 2 2 227.352 0.570 20 0 BCADLP CC(C)NC(=O)[C@@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000662315830 412097055 /nfs/dbraw/zinc/09/70/55/412097055.db2.gz HLMSHJFTEOEVFY-GHMZBOCLSA-N 2 2 227.352 0.570 20 0 BCADLP C[N@@H+](CC1=CCSC1)C[C@@H]1C[NH2+]CCO1 ZINC000662327706 412104409 /nfs/dbraw/zinc/10/44/09/412104409.db2.gz UEEVCXBXQWGACP-NSHDSACASA-N 2 2 228.361 0.580 20 0 BCADLP C[N@H+](CC1=CCSC1)C[C@@H]1C[NH2+]CCO1 ZINC000662327706 412104413 /nfs/dbraw/zinc/10/44/13/412104413.db2.gz UEEVCXBXQWGACP-NSHDSACASA-N 2 2 228.361 0.580 20 0 BCADLP CC[C@@H]([NH2+]C)C(=O)NCCCn1cc[nH+]c1 ZINC000662347711 412118828 /nfs/dbraw/zinc/11/88/28/412118828.db2.gz JSWLNVAJSJHBOZ-SNVBAGLBSA-N 2 2 224.308 0.387 20 0 BCADLP CC[C@@H](Cn1cncn1)[NH2+][C@H]1CC[NH2+]C1 ZINC000665242361 412184563 /nfs/dbraw/zinc/18/45/63/412184563.db2.gz URDQSPYTFXCSME-UWVGGRQHSA-N 2 2 209.297 0.008 20 0 BCADLP CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000665242652 412187757 /nfs/dbraw/zinc/18/77/57/412187757.db2.gz FYFPNNHJFRWDLF-AXFHLTTASA-N 2 2 246.376 0.294 20 0 BCADLP CO[C@@H](C)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000665244810 412188797 /nfs/dbraw/zinc/18/87/97/412188797.db2.gz XEZWZOAZKQXGMH-MVWJERBFSA-N 2 2 228.336 0.378 20 0 BCADLP CC(C)[NH2+]CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000662504101 412197387 /nfs/dbraw/zinc/19/73/87/412197387.db2.gz PJYBLKGVOFXUKR-UHFFFAOYSA-N 2 2 238.335 0.730 20 0 BCADLP CN(C)c1nc(NCC[N@H+]2CC=CCC2)cc[nH+]1 ZINC000338713653 412201532 /nfs/dbraw/zinc/20/15/32/412201532.db2.gz ULKHNVYUJZLHIU-UHFFFAOYSA-N 2 2 247.346 1.216 20 0 BCADLP CN(C)c1nc(NCC[N@@H+]2CC=CCC2)cc[nH+]1 ZINC000338713653 412201536 /nfs/dbraw/zinc/20/15/36/412201536.db2.gz ULKHNVYUJZLHIU-UHFFFAOYSA-N 2 2 247.346 1.216 20 0 BCADLP CC[C@@H](O)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000665261416 412203339 /nfs/dbraw/zinc/20/33/39/412203339.db2.gz BWEHDPWQHLZVAF-UTUOFQBUSA-N 2 2 228.336 0.114 20 0 BCADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1nc(C(N)=O)cs1 ZINC000665272973 412213872 /nfs/dbraw/zinc/21/38/72/412213872.db2.gz OFFDJANBMFWXTR-RNFRBKRXSA-N 2 2 242.348 0.457 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662687013 412270645 /nfs/dbraw/zinc/27/06/45/412270645.db2.gz TYCYHPVLOAFBDH-OPRDCNLKSA-N 2 2 222.292 0.125 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662717534 412281162 /nfs/dbraw/zinc/28/11/62/412281162.db2.gz OLCRTJYABNOYKO-UHFFFAOYSA-N 2 2 248.330 0.698 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662714994 412281589 /nfs/dbraw/zinc/28/15/89/412281589.db2.gz OFABAAJOWOONHH-MWLCHTKSSA-N 2 2 235.287 0.114 20 0 BCADLP CCS(=O)(=O)C1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000665275366 412219108 /nfs/dbraw/zinc/21/91/08/412219108.db2.gz JENKJFOBPCRORZ-NXEZZACHSA-N 2 2 246.376 0.423 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665280145 412225333 /nfs/dbraw/zinc/22/53/33/412225333.db2.gz UNEHURXIOFSFFA-YECOWLKZSA-N 3 2 209.337 0.455 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]([NH3+])C1CCC1 ZINC000662584779 412230761 /nfs/dbraw/zinc/23/07/61/412230761.db2.gz GQCVSQVZNHFHAD-JTQLQIEISA-N 2 2 222.292 0.496 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]([NH3+])C1CCC1 ZINC000662584779 412230765 /nfs/dbraw/zinc/23/07/65/412230765.db2.gz GQCVSQVZNHFHAD-JTQLQIEISA-N 2 2 222.292 0.496 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000662585547 412231156 /nfs/dbraw/zinc/23/11/56/412231156.db2.gz JXKNURNBBFBBLW-SECBINFHSA-N 2 2 222.292 0.366 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000665297349 412237001 /nfs/dbraw/zinc/23/70/01/412237001.db2.gz DNDXWWUBUUXOLN-MWLCHTKSSA-N 2 2 222.336 0.995 20 0 BCADLP CC(C)([NH3+])c1cc(C(=O)NCc2[nH]cc[nH+]2)on1 ZINC000662732438 412287941 /nfs/dbraw/zinc/28/79/41/412287941.db2.gz UPSDYIBCYNONEM-UHFFFAOYSA-N 2 2 249.274 0.522 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000665297347 412237483 /nfs/dbraw/zinc/23/74/83/412237483.db2.gz DNDXWWUBUUXOLN-GXSJLCMTSA-N 2 2 222.336 0.995 20 0 BCADLP C[C@@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)S(C)(=O)=O ZINC000665298827 412247962 /nfs/dbraw/zinc/24/79/62/412247962.db2.gz AKFNECVBVYMVOB-UTLUCORTSA-N 2 2 234.365 0.007 20 0 BCADLP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)S(C)(=O)=O ZINC000665298826 412248335 /nfs/dbraw/zinc/24/83/35/412248335.db2.gz AKFNECVBVYMVOB-OPRDCNLKSA-N 2 2 234.365 0.007 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CCCC[NH2+]1 ZINC000662839370 412316354 /nfs/dbraw/zinc/31/63/54/412316354.db2.gz QNFKSLRIZHNWOC-SNVBAGLBSA-N 2 2 222.292 0.510 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CCCC[NH2+]1 ZINC000662839370 412316359 /nfs/dbraw/zinc/31/63/59/412316359.db2.gz QNFKSLRIZHNWOC-SNVBAGLBSA-N 2 2 222.292 0.510 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000662838132 412317067 /nfs/dbraw/zinc/31/70/67/412317067.db2.gz DBMKLLIPARYJJU-NSHDSACASA-N 2 2 222.292 0.510 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000662838132 412317069 /nfs/dbraw/zinc/31/70/69/412317069.db2.gz DBMKLLIPARYJJU-NSHDSACASA-N 2 2 222.292 0.510 20 0 BCADLP CC[C@H](C)N(CC)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000662839465 412318896 /nfs/dbraw/zinc/31/88/96/412318896.db2.gz SSSLTTVNYPDZQD-WDEREUQCSA-N 2 2 229.368 0.912 20 0 BCADLP CC(C)c1nc(NC[C@H]2C[NH2+]C[C@@H]2O)cc[nH+]1 ZINC000420245154 412323041 /nfs/dbraw/zinc/32/30/41/412323041.db2.gz DXMDCVLAYJMWCM-ZJUUUORDSA-N 2 2 236.319 0.592 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)C1(C)C[NH2+]C1 ZINC000662901195 412339572 /nfs/dbraw/zinc/33/95/72/412339572.db2.gz FKOUKRYDOSUADA-VIFPVBQESA-N 2 2 236.319 0.690 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000662899620 412339641 /nfs/dbraw/zinc/33/96/41/412339641.db2.gz GYUNBEVLYKTXMR-UWVGGRQHSA-N 2 2 236.319 0.832 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1CC[NH2+]1 ZINC000662900266 412340082 /nfs/dbraw/zinc/34/00/82/412340082.db2.gz MQEKBKMFXXYUNE-DTWKUNHWSA-N 2 2 222.292 0.442 20 0 BCADLP Cc1cc(NC(=O)CC[N@@H+](C)[C@H](C)C[NH3+])no1 ZINC000382981247 412341347 /nfs/dbraw/zinc/34/13/47/412341347.db2.gz UNIRYGPMNAFJJI-MRVPVSSYSA-N 2 2 240.307 0.591 20 0 BCADLP Cc1cc(NC(=O)CC[N@H+](C)[C@H](C)C[NH3+])no1 ZINC000382981247 412341350 /nfs/dbraw/zinc/34/13/50/412341350.db2.gz UNIRYGPMNAFJJI-MRVPVSSYSA-N 2 2 240.307 0.591 20 0 BCADLP C[C@@H](NC(=O)C[NH2+]CC1CC1)c1[nH+]ccn1C ZINC000662932430 412348393 /nfs/dbraw/zinc/34/83/93/412348393.db2.gz ASJHHALAWLJWHP-SECBINFHSA-N 2 2 236.319 0.597 20 0 BCADLP C[C@@H](NC(=O)[C@H]1CSC[NH2+]1)c1[nH+]ccn1C ZINC000662932755 412348537 /nfs/dbraw/zinc/34/85/37/412348537.db2.gz FHYYFLKZCGRTBF-HTQZYQBOSA-N 2 2 240.332 0.260 20 0 BCADLP C[C@H](NC(=O)C1([NH3+])CCC1)c1[nH+]ccn1C ZINC000662935348 412349223 /nfs/dbraw/zinc/34/92/23/412349223.db2.gz UTCDCZQOTDDFFY-QMMMGPOBSA-N 2 2 222.292 0.479 20 0 BCADLP CC[C@H]([NH3+])C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662935212 412349380 /nfs/dbraw/zinc/34/93/80/412349380.db2.gz TUGYISZNHBIEPF-SFYZADRCSA-N 2 2 210.281 0.335 20 0 BCADLP C[C@@H](NC(=O)CC(C)(C)[NH3+])c1[nH+]ccn1C ZINC000662933686 412349603 /nfs/dbraw/zinc/34/96/03/412349603.db2.gz JWPSTIRWGDDTNF-MRVPVSSYSA-N 2 2 224.308 0.725 20 0 BCADLP C[C@@H](NC(=O)CC1(C[NH3+])CC1)c1[nH+]ccn1C ZINC000662934927 412349794 /nfs/dbraw/zinc/34/97/94/412349794.db2.gz REBPRRKAHMEDAF-SECBINFHSA-N 2 2 236.319 0.726 20 0 BCADLP C[C@H](NC(=O)C1([NH3+])CCCC1)c1[nH+]ccn1C ZINC000662934725 412350195 /nfs/dbraw/zinc/35/01/95/412350195.db2.gz PUOASIRNXCWWRP-VIFPVBQESA-N 2 2 236.319 0.869 20 0 BCADLP C[NH2+]C[C@H](C)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000662964056 412356549 /nfs/dbraw/zinc/35/65/49/412356549.db2.gz WXSQHSMRRJJVJK-JTQLQIEISA-N 2 2 246.314 0.601 20 0 BCADLP C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000662968139 412359879 /nfs/dbraw/zinc/35/98/79/412359879.db2.gz FOPJLPTXFPSBJX-VHSXEESVSA-N 2 2 236.319 0.170 20 0 BCADLP C[NH2+]C[C@H](C)CNc1ncnc2c1C[N@H+](C)CC2 ZINC000420217906 412291843 /nfs/dbraw/zinc/29/18/43/412291843.db2.gz XUJMINOVEPEYGR-JTQLQIEISA-N 2 2 249.362 0.732 20 0 BCADLP C[NH2+]C[C@H](C)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC000420217906 412291847 /nfs/dbraw/zinc/29/18/47/412291847.db2.gz XUJMINOVEPEYGR-JTQLQIEISA-N 2 2 249.362 0.732 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)CC[NH3+])CC1(C)C ZINC000662760500 412292750 /nfs/dbraw/zinc/29/27/50/412292750.db2.gz WRKHOKPWJLGXQU-JTQLQIEISA-N 2 2 236.319 0.678 20 0 BCADLP C[C@@H](CC(=O)N[C@@]1(C)CC[NH2+]C1)n1cc[nH+]c1 ZINC000663014325 412370653 /nfs/dbraw/zinc/37/06/53/412370653.db2.gz KRTYFNUDDXWCGQ-JQWIXIFHSA-N 2 2 236.319 0.702 20 0 BCADLP COc1c(N)[nH+]cnc1N1CCC(C[NH3+])CC1 ZINC000663239402 412397902 /nfs/dbraw/zinc/39/79/02/412397902.db2.gz KYCALMSQPYSBFP-UHFFFAOYSA-N 2 2 237.307 0.243 20 0 BCADLP COc1c(N)nc[nH+]c1N1CCC(C[NH3+])CC1 ZINC000663239402 412397903 /nfs/dbraw/zinc/39/79/03/412397903.db2.gz KYCALMSQPYSBFP-UHFFFAOYSA-N 2 2 237.307 0.243 20 0 BCADLP CCc1[nH+]ccn1C[C@H](O)C[NH+]1CCOCC1 ZINC000305284448 172027469 /nfs/dbraw/zinc/02/74/69/172027469.db2.gz DDWMDOVOZBZBLO-LLVKDONJSA-N 2 2 239.319 0.139 20 0 BCADLP CCn1cc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cn1 ZINC000309954829 172176393 /nfs/dbraw/zinc/17/63/93/172176393.db2.gz HVBSKMSMBBNEDH-PWSUYJOCSA-N 2 2 222.336 0.943 20 0 BCADLP CCn1cc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cn1 ZINC000309954829 172176394 /nfs/dbraw/zinc/17/63/94/172176394.db2.gz HVBSKMSMBBNEDH-PWSUYJOCSA-N 2 2 222.336 0.943 20 0 BCADLP CCn1cc[nH+]c1CN1CCC[C@@H]([NH3+])C1 ZINC000054743834 172220338 /nfs/dbraw/zinc/22/03/38/172220338.db2.gz BHVSYOPREYCQSP-SNVBAGLBSA-N 2 2 208.309 0.826 20 0 BCADLP CCn1cnnc1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000359943883 172237270 /nfs/dbraw/zinc/23/72/70/172237270.db2.gz RLPLBSQUSRBIHA-GHMZBOCLSA-N 2 2 237.351 0.728 20 0 BCADLP CCn1cnnc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000359943883 172237273 /nfs/dbraw/zinc/23/72/73/172237273.db2.gz RLPLBSQUSRBIHA-GHMZBOCLSA-N 2 2 237.351 0.728 20 0 BCADLP C[N@@H+]1CCCN(CCn2cc[nH+]c2)CC1 ZINC000267923611 173014819 /nfs/dbraw/zinc/01/48/19/173014819.db2.gz KXODSNNHSRBJKE-UHFFFAOYSA-N 2 2 208.309 0.521 20 0 BCADLP C[N@H+]1CCCN(CCn2cc[nH+]c2)CC1 ZINC000267923611 173014821 /nfs/dbraw/zinc/01/48/21/173014821.db2.gz KXODSNNHSRBJKE-UHFFFAOYSA-N 2 2 208.309 0.521 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)nn1 ZINC000336784196 173036888 /nfs/dbraw/zinc/03/68/88/173036888.db2.gz ZJTPEAMPFJZMGW-DGCLKSJQSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)nn1 ZINC000336784196 173036890 /nfs/dbraw/zinc/03/68/90/173036890.db2.gz ZJTPEAMPFJZMGW-DGCLKSJQSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)nn1 ZINC000336784196 173036891 /nfs/dbraw/zinc/03/68/91/173036891.db2.gz ZJTPEAMPFJZMGW-DGCLKSJQSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)nn1 ZINC000336784196 173036894 /nfs/dbraw/zinc/03/68/94/173036894.db2.gz ZJTPEAMPFJZMGW-DGCLKSJQSA-N 2 2 249.362 0.731 20 0 BCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccccc2)CC1 ZINC000020038437 173067181 /nfs/dbraw/zinc/06/71/81/173067181.db2.gz MQFUDSDQKVSUAK-UHFFFAOYSA-N 2 2 247.342 0.550 20 0 BCADLP C[NH+]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000084738979 173071786 /nfs/dbraw/zinc/07/17/86/173071786.db2.gz MZXSLIHIEYRMCB-UHFFFAOYSA-N 2 2 244.298 0.951 20 0 BCADLP C[NH+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000284247233 173072487 /nfs/dbraw/zinc/07/24/87/173072487.db2.gz HWCLXXHRRWXYOV-UHFFFAOYSA-N 2 2 244.298 0.722 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]CC(C)(C)C ZINC000082668940 173077310 /nfs/dbraw/zinc/07/73/10/173077310.db2.gz HUKAJWOCUIYWJB-NSHDSACASA-N 2 2 213.369 0.868 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]CC(C)(C)C ZINC000082668940 173077312 /nfs/dbraw/zinc/07/73/12/173077312.db2.gz HUKAJWOCUIYWJB-NSHDSACASA-N 2 2 213.369 0.868 20 0 BCADLP C[N@@H+]1CCN(CCn2cc[nH+]c2)C(C)(C)C1 ZINC000271030660 173083176 /nfs/dbraw/zinc/08/31/76/173083176.db2.gz KWUVHWQYPSOORI-UHFFFAOYSA-N 2 2 222.336 0.909 20 0 BCADLP C[N@H+]1CCN(CCn2cc[nH+]c2)C(C)(C)C1 ZINC000271030660 173083181 /nfs/dbraw/zinc/08/31/81/173083181.db2.gz KWUVHWQYPSOORI-UHFFFAOYSA-N 2 2 222.336 0.909 20 0 BCADLP C[N@@H+]1CC[C@@H]2CCN(CCn3cc[nH+]c3)C[C@H]21 ZINC000378462072 173129325 /nfs/dbraw/zinc/12/93/25/173129325.db2.gz XVXPIJABTVLEDD-CHWSQXEVSA-N 2 2 234.347 0.909 20 0 BCADLP C[N@H+]1CC[C@@H]2CCN(CCn3cc[nH+]c3)C[C@H]21 ZINC000378462072 173129326 /nfs/dbraw/zinc/12/93/26/173129326.db2.gz XVXPIJABTVLEDD-CHWSQXEVSA-N 2 2 234.347 0.909 20 0 BCADLP Cn1nccc1CC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000375250879 173131566 /nfs/dbraw/zinc/13/15/66/173131566.db2.gz XMQILXMUXJVPCI-TZMCWYRMSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1nccc1CC[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000375250879 173131569 /nfs/dbraw/zinc/13/15/69/173131569.db2.gz XMQILXMUXJVPCI-TZMCWYRMSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1nccc1CC[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000375250879 173131571 /nfs/dbraw/zinc/13/15/71/173131571.db2.gz XMQILXMUXJVPCI-TZMCWYRMSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1nccc1CC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000375250879 173131573 /nfs/dbraw/zinc/13/15/73/173131573.db2.gz XMQILXMUXJVPCI-TZMCWYRMSA-N 2 2 248.374 0.989 20 0 BCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC000336319117 173137836 /nfs/dbraw/zinc/13/78/36/173137836.db2.gz XCZOOYDRIQUADZ-CYBMUJFWSA-N 2 2 237.347 0.246 20 0 BCADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC000336319117 173137838 /nfs/dbraw/zinc/13/78/38/173137838.db2.gz XCZOOYDRIQUADZ-CYBMUJFWSA-N 2 2 237.347 0.246 20 0 BCADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)N3CCC3)C2)C1 ZINC000336319117 173137839 /nfs/dbraw/zinc/13/78/39/173137839.db2.gz XCZOOYDRIQUADZ-CYBMUJFWSA-N 2 2 237.347 0.246 20 0 BCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)N3CCC3)C2)C1 ZINC000336319117 173137841 /nfs/dbraw/zinc/13/78/41/173137841.db2.gz XCZOOYDRIQUADZ-CYBMUJFWSA-N 2 2 237.347 0.246 20 0 BCADLP CN1CC[C@H]([N@H+](C)CCC[NH+]2CCCC2)C1=O ZINC000336716731 173148694 /nfs/dbraw/zinc/14/86/94/173148694.db2.gz WBAALTPDUJUOIT-LBPRGKRZSA-N 2 2 239.363 0.635 20 0 BCADLP CN1CC[C@H]([N@@H+](C)CCC[NH+]2CCCC2)C1=O ZINC000336716731 173148697 /nfs/dbraw/zinc/14/86/97/173148697.db2.gz WBAALTPDUJUOIT-LBPRGKRZSA-N 2 2 239.363 0.635 20 0 BCADLP CN1CC[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1=O ZINC000116279824 173150507 /nfs/dbraw/zinc/15/05/07/173150507.db2.gz HOMZSRKHHOTYJM-LBPRGKRZSA-N 2 2 248.330 0.751 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000336469398 173160852 /nfs/dbraw/zinc/16/08/52/173160852.db2.gz BSXYGPXNGGMURR-AAEUAGOBSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000336469398 173160855 /nfs/dbraw/zinc/16/08/55/173160855.db2.gz BSXYGPXNGGMURR-AAEUAGOBSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)nn1 ZINC000336784191 173161818 /nfs/dbraw/zinc/16/18/18/173161818.db2.gz ZHQANGACUFLMPS-AAEUAGOBSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)nn1 ZINC000336784191 173161820 /nfs/dbraw/zinc/16/18/20/173161820.db2.gz ZHQANGACUFLMPS-AAEUAGOBSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)nn1 ZINC000336784191 173161825 /nfs/dbraw/zinc/16/18/25/173161825.db2.gz ZHQANGACUFLMPS-AAEUAGOBSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)nn1 ZINC000336784191 173161827 /nfs/dbraw/zinc/16/18/27/173161827.db2.gz ZHQANGACUFLMPS-AAEUAGOBSA-N 2 2 249.362 0.731 20 0 BCADLP C[N@H+]1C[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C1 ZINC000330090039 173197915 /nfs/dbraw/zinc/19/79/15/173197915.db2.gz PCWQQSKDYYJEDM-PHIMTYICSA-N 2 2 248.330 0.362 20 0 BCADLP C[N@@H+]1C[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C1 ZINC000330090039 173197917 /nfs/dbraw/zinc/19/79/17/173197917.db2.gz PCWQQSKDYYJEDM-PHIMTYICSA-N 2 2 248.330 0.362 20 0 BCADLP C[N@H+]1C[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1 ZINC000330090039 173197919 /nfs/dbraw/zinc/19/79/19/173197919.db2.gz PCWQQSKDYYJEDM-PHIMTYICSA-N 2 2 248.330 0.362 20 0 BCADLP C[N@@H+]1C[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1 ZINC000330090039 173197920 /nfs/dbraw/zinc/19/79/20/173197920.db2.gz PCWQQSKDYYJEDM-PHIMTYICSA-N 2 2 248.330 0.362 20 0 BCADLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(CO)o3)C[C@@H]2C1 ZINC000278822011 173198651 /nfs/dbraw/zinc/19/86/51/173198651.db2.gz YCLRXKFFFLRQJF-PHIMTYICSA-N 2 2 236.315 0.765 20 0 BCADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(CO)o3)C[C@@H]2C1 ZINC000278822011 173198652 /nfs/dbraw/zinc/19/86/52/173198652.db2.gz YCLRXKFFFLRQJF-PHIMTYICSA-N 2 2 236.315 0.765 20 0 BCADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(CO)o3)C[C@@H]2C1 ZINC000278822011 173198654 /nfs/dbraw/zinc/19/86/54/173198654.db2.gz YCLRXKFFFLRQJF-PHIMTYICSA-N 2 2 236.315 0.765 20 0 BCADLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(CO)o3)C[C@@H]2C1 ZINC000278822011 173198655 /nfs/dbraw/zinc/19/86/55/173198655.db2.gz YCLRXKFFFLRQJF-PHIMTYICSA-N 2 2 236.315 0.765 20 0 BCADLP CNC(=O)C(C)(C)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336766355 173219849 /nfs/dbraw/zinc/21/98/49/173219849.db2.gz OUMOXXYQCSFWNF-NXEZZACHSA-N 2 2 227.352 0.298 20 0 BCADLP CNC(=O)C(C)(C)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336766355 173219850 /nfs/dbraw/zinc/21/98/50/173219850.db2.gz OUMOXXYQCSFWNF-NXEZZACHSA-N 2 2 227.352 0.298 20 0 BCADLP CNC(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000048558894 173273171 /nfs/dbraw/zinc/27/31/71/173273171.db2.gz OOSFMPCBXOCHKN-UHFFFAOYSA-N 2 2 248.330 0.704 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000336645303 173281029 /nfs/dbraw/zinc/28/10/29/173281029.db2.gz BKOMEDGCKOEPSB-BDAKNGLRSA-N 2 2 201.314 0.051 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000359087154 173281076 /nfs/dbraw/zinc/28/10/76/173281076.db2.gz WQXROGNSVJTPGN-NEPJUHHUSA-N 2 2 241.379 0.975 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000309958797 173281725 /nfs/dbraw/zinc/28/17/25/173281725.db2.gz JYLNAAPLAYBBHV-JTQLQIEISA-N 2 2 227.352 0.585 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000309656201 173282110 /nfs/dbraw/zinc/28/21/10/173282110.db2.gz PWZXQCSBBYVSHD-ONGXEEELSA-N 2 2 227.352 0.441 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000341985072 173282783 /nfs/dbraw/zinc/28/27/83/173282783.db2.gz ZRQIJBWIQICNDZ-JBLDHEPKSA-N 2 2 239.363 0.583 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000341985072 173282784 /nfs/dbraw/zinc/28/27/84/173282784.db2.gz ZRQIJBWIQICNDZ-JBLDHEPKSA-N 2 2 239.363 0.583 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000336762848 173282799 /nfs/dbraw/zinc/28/27/99/173282799.db2.gz LUUWEZFUMLDAQX-HBNTYKKESA-N 2 2 227.352 0.583 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000336762848 173282800 /nfs/dbraw/zinc/28/28/00/173282800.db2.gz LUUWEZFUMLDAQX-HBNTYKKESA-N 2 2 227.352 0.583 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000308941282 173282914 /nfs/dbraw/zinc/28/29/14/173282914.db2.gz MGEBCRZZVJUYPP-LPEHRKFASA-N 2 2 213.325 0.051 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000308941282 173282915 /nfs/dbraw/zinc/28/29/15/173282915.db2.gz MGEBCRZZVJUYPP-LPEHRKFASA-N 2 2 213.325 0.051 20 0 BCADLP C[NH2+]CC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000083909208 173330600 /nfs/dbraw/zinc/33/06/00/173330600.db2.gz HJZDIYJBCMJINT-UHFFFAOYSA-N 2 2 232.287 0.478 20 0 BCADLP C[NH2+]CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000178707314 173356005 /nfs/dbraw/zinc/35/60/05/173356005.db2.gz WVOKWQBOVUYVFG-UHFFFAOYSA-N 2 2 218.260 0.284 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC000049306476 173368149 /nfs/dbraw/zinc/36/81/49/173368149.db2.gz HSTOZELPTRGXQX-NSHDSACASA-N 2 2 239.363 0.539 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC000049306476 173368151 /nfs/dbraw/zinc/36/81/51/173368151.db2.gz HSTOZELPTRGXQX-NSHDSACASA-N 2 2 239.363 0.539 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCC(C)C)C1 ZINC000070799871 173369762 /nfs/dbraw/zinc/36/97/62/173369762.db2.gz KDKOGRPGYXMYRP-NSHDSACASA-N 2 2 227.352 0.300 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCC(C)C)C1 ZINC000070799871 173369764 /nfs/dbraw/zinc/36/97/64/173369764.db2.gz KDKOGRPGYXMYRP-NSHDSACASA-N 2 2 227.352 0.300 20 0 BCADLP C[NH2+]C[C@H]1CCCN(Cc2[nH+]ccn2C)C1 ZINC000040600695 173379156 /nfs/dbraw/zinc/37/91/56/173379156.db2.gz CAFTWHLGXRLHEA-LLVKDONJSA-N 2 2 222.336 0.852 20 0 BCADLP COC(=O)[C@H]([NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC000276495172 173804068 /nfs/dbraw/zinc/80/40/68/173804068.db2.gz WIFFNQDBSVCGKS-LLVKDONJSA-N 2 2 237.303 0.814 20 0 BCADLP COCC1(C)C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000357450595 174094891 /nfs/dbraw/zinc/09/48/91/174094891.db2.gz HSUQZNJBTRLAST-GFCCVEGCSA-N 2 2 242.363 0.410 20 0 BCADLP COCC1(C)C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000357450595 174094893 /nfs/dbraw/zinc/09/48/93/174094893.db2.gz HSUQZNJBTRLAST-GFCCVEGCSA-N 2 2 242.363 0.410 20 0 BCADLP COCCC[N@H+](C)CC[NH2+]C1CCC(O)CC1 ZINC000353526817 174216932 /nfs/dbraw/zinc/21/69/32/174216932.db2.gz BITOEMBAQOOIEY-UHFFFAOYSA-N 2 2 244.379 0.848 20 0 BCADLP COCCC[N@@H+](C)CC[NH2+]C1CCC(O)CC1 ZINC000353526817 174216935 /nfs/dbraw/zinc/21/69/35/174216935.db2.gz BITOEMBAQOOIEY-UHFFFAOYSA-N 2 2 244.379 0.848 20 0 BCADLP COCCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000363254059 174232798 /nfs/dbraw/zinc/23/27/98/174232798.db2.gz XKVOVMHDKZSDNH-ZDUSSCGKSA-N 2 2 242.363 0.677 20 0 BCADLP COCCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000363254059 174232799 /nfs/dbraw/zinc/23/27/99/174232799.db2.gz XKVOVMHDKZSDNH-ZDUSSCGKSA-N 2 2 242.363 0.677 20 0 BCADLP COCC[N@H+](C)CC[NH2+]C[C@H]1CCCOC1 ZINC000082581235 174278016 /nfs/dbraw/zinc/27/80/16/174278016.db2.gz CLBQPASYJPHHHY-GFCCVEGCSA-N 2 2 230.352 0.581 20 0 BCADLP COCC[N@@H+](C)CC[NH2+]C[C@H]1CCCOC1 ZINC000082581235 174278017 /nfs/dbraw/zinc/27/80/17/174278017.db2.gz CLBQPASYJPHHHY-GFCCVEGCSA-N 2 2 230.352 0.581 20 0 BCADLP COCC[NH+](CCCn1cc[nH+]c1)CCOC ZINC000182618231 174290564 /nfs/dbraw/zinc/29/05/64/174290564.db2.gz LCQNPGHBAXBGJG-UHFFFAOYSA-N 2 2 241.335 0.868 20 0 BCADLP COCC[NH+]1CCC(NCC[NH+]2CCC2)CC1 ZINC000358344661 174304564 /nfs/dbraw/zinc/30/45/64/174304564.db2.gz WRUKDNLPMISJLT-UHFFFAOYSA-N 2 2 241.379 0.393 20 0 BCADLP COCC[NH+]1CCC([NH2+]Cc2ncc[nH]2)CC1 ZINC000237111074 174305324 /nfs/dbraw/zinc/30/53/24/174305324.db2.gz DRCZQFRTRLIBEK-UHFFFAOYSA-N 2 2 238.335 0.610 20 0 BCADLP COCC[NH+]1CCC(NCc2[nH]cc[nH+]2)CC1 ZINC000237111074 174305326 /nfs/dbraw/zinc/30/53/26/174305326.db2.gz DRCZQFRTRLIBEK-UHFFFAOYSA-N 2 2 238.335 0.610 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCCCCO)C1 ZINC000336776574 174313851 /nfs/dbraw/zinc/31/38/51/174313851.db2.gz GACRFYYQVZCGSS-GFCCVEGCSA-N 2 2 230.352 0.459 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCCCCO)C1 ZINC000336776574 174313852 /nfs/dbraw/zinc/31/38/52/174313852.db2.gz GACRFYYQVZCGSS-GFCCVEGCSA-N 2 2 230.352 0.459 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCCCO)C1 ZINC000352746358 174313923 /nfs/dbraw/zinc/31/39/23/174313923.db2.gz PQBUMWQKAWTRJX-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCCCO)C1 ZINC000352746358 174313924 /nfs/dbraw/zinc/31/39/24/174313924.db2.gz PQBUMWQKAWTRJX-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCCCO)C1 ZINC000352746361 174314262 /nfs/dbraw/zinc/31/42/62/174314262.db2.gz PQBUMWQKAWTRJX-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCCCO)C1 ZINC000352746361 174314264 /nfs/dbraw/zinc/31/42/64/174314264.db2.gz PQBUMWQKAWTRJX-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC000336673048 174314880 /nfs/dbraw/zinc/31/48/80/174314880.db2.gz AIHFSOGHKWYXPQ-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC000336673048 174314882 /nfs/dbraw/zinc/31/48/82/174314882.db2.gz AIHFSOGHKWYXPQ-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C[C@@H](C)O)C1 ZINC000336779155 174315125 /nfs/dbraw/zinc/31/51/25/174315125.db2.gz NICYHHGXKCINQZ-TUAOUCFPSA-N 2 2 230.352 0.456 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C[C@@H](C)O)C1 ZINC000336779155 174315127 /nfs/dbraw/zinc/31/51/27/174315127.db2.gz NICYHHGXKCINQZ-TUAOUCFPSA-N 2 2 230.352 0.456 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H](C)O)C1 ZINC000336779156 174315943 /nfs/dbraw/zinc/31/59/43/174315943.db2.gz NICYHHGXKCINQZ-UTUOFQBUSA-N 2 2 230.352 0.456 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H](C)O)C1 ZINC000336779156 174315945 /nfs/dbraw/zinc/31/59/45/174315945.db2.gz NICYHHGXKCINQZ-UTUOFQBUSA-N 2 2 230.352 0.456 20 0 BCADLP COCC[NH2+]CC[NH2+]Cc1ccc(C)nc1 ZINC000161499989 174333428 /nfs/dbraw/zinc/33/34/28/174333428.db2.gz BSQOMRDGUFYENH-UHFFFAOYSA-N 2 2 223.320 0.716 20 0 BCADLP C[C@H]1C[NH2+]C[C@@H]([NH2+]CCC(=O)N(C)C)C1 ZINC000401640267 487628588 /nfs/dbraw/zinc/62/85/88/487628588.db2.gz GXJPQWPYXWILKB-ZJUUUORDSA-N 2 2 213.325 0.052 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+][C@@H](C)C[NH+](C)C ZINC000308968308 175700103 /nfs/dbraw/zinc/70/01/03/175700103.db2.gz XKNUKOWFEORKMY-ZJUUUORDSA-N 2 2 215.341 0.393 20 0 BCADLP C[C@@H]1CC(=O)NCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000371199030 176048985 /nfs/dbraw/zinc/04/89/85/176048985.db2.gz QMMXNEYTGAODFH-VXGBXAGGSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@@H]1CC(=O)NCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000371199030 176048987 /nfs/dbraw/zinc/04/89/87/176048987.db2.gz QMMXNEYTGAODFH-VXGBXAGGSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@@H]1CC(=O)NCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000371199030 176048988 /nfs/dbraw/zinc/04/89/88/176048988.db2.gz QMMXNEYTGAODFH-VXGBXAGGSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@@H]1CC(=O)NCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000371199030 176048990 /nfs/dbraw/zinc/04/89/90/176048990.db2.gz QMMXNEYTGAODFH-VXGBXAGGSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000127166075 176186907 /nfs/dbraw/zinc/18/69/07/176186907.db2.gz WHTWQCWPAOGIQG-MNOVXSKESA-N 2 2 248.330 0.613 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000362782109 176270538 /nfs/dbraw/zinc/27/05/38/176270538.db2.gz PRTIZROTJHVFBM-MNOVXSKESA-N 2 2 248.330 0.423 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000362782109 176270540 /nfs/dbraw/zinc/27/05/40/176270540.db2.gz PRTIZROTJHVFBM-MNOVXSKESA-N 2 2 248.330 0.423 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1=CCCOC1 ZINC000309098957 176272876 /nfs/dbraw/zinc/27/28/76/176272876.db2.gz DXGZZYFEVUTGFI-PWSUYJOCSA-N 2 2 210.321 0.873 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1=CCCOC1 ZINC000309098957 176272877 /nfs/dbraw/zinc/27/28/77/176272877.db2.gz DXGZZYFEVUTGFI-PWSUYJOCSA-N 2 2 210.321 0.873 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000336747874 176273054 /nfs/dbraw/zinc/27/30/54/176273054.db2.gz CVDGBTATGZQEFU-MNOVXSKESA-N 2 2 212.337 0.831 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000336747874 176273056 /nfs/dbraw/zinc/27/30/56/176273056.db2.gz CVDGBTATGZQEFU-MNOVXSKESA-N 2 2 212.337 0.831 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC000336761889 176273329 /nfs/dbraw/zinc/27/33/29/176273329.db2.gz NTBXEVOAJGUEOJ-KOLCDFICSA-N 2 2 208.309 0.492 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC000336761889 176273330 /nfs/dbraw/zinc/27/33/30/176273330.db2.gz NTBXEVOAJGUEOJ-KOLCDFICSA-N 2 2 208.309 0.492 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000309120687 176273388 /nfs/dbraw/zinc/27/33/88/176273388.db2.gz NPLMPBSKIFEULI-USWWRNFRSA-N 2 2 212.337 0.545 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000309120687 176273390 /nfs/dbraw/zinc/27/33/90/176273390.db2.gz NPLMPBSKIFEULI-USWWRNFRSA-N 2 2 212.337 0.545 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H](CO)C1CCOCC1 ZINC000360797457 176274443 /nfs/dbraw/zinc/27/44/43/176274443.db2.gz BHVDHFOISGCUNL-WXHSDQCUSA-N 2 2 242.363 0.314 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H](CO)C1CCOCC1 ZINC000360797457 176274444 /nfs/dbraw/zinc/27/44/44/176274444.db2.gz BHVDHFOISGCUNL-WXHSDQCUSA-N 2 2 242.363 0.314 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000362819319 176275470 /nfs/dbraw/zinc/27/54/70/176275470.db2.gz FCQMIROKNZNRCY-PSASIEDQSA-N 2 2 222.292 0.224 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000362819319 176275472 /nfs/dbraw/zinc/27/54/72/176275472.db2.gz FCQMIROKNZNRCY-PSASIEDQSA-N 2 2 222.292 0.224 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000362819319 176275474 /nfs/dbraw/zinc/27/54/74/176275474.db2.gz FCQMIROKNZNRCY-PSASIEDQSA-N 2 2 222.292 0.224 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000362819319 176275476 /nfs/dbraw/zinc/27/54/76/176275476.db2.gz FCQMIROKNZNRCY-PSASIEDQSA-N 2 2 222.292 0.224 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000362569012 176275604 /nfs/dbraw/zinc/27/56/04/176275604.db2.gz MNOJWLXFLNRJHB-GHMZBOCLSA-N 2 2 236.319 0.197 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000362569012 176275606 /nfs/dbraw/zinc/27/56/06/176275606.db2.gz MNOJWLXFLNRJHB-GHMZBOCLSA-N 2 2 236.319 0.197 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1cnccn1 ZINC000336751844 176276687 /nfs/dbraw/zinc/27/66/87/176276687.db2.gz COLLGRZYSYVKEA-ZYHUDNBSSA-N 2 2 220.320 0.559 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1cnccn1 ZINC000336751844 176276689 /nfs/dbraw/zinc/27/66/89/176276689.db2.gz COLLGRZYSYVKEA-ZYHUDNBSSA-N 2 2 220.320 0.559 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000309098326 176276977 /nfs/dbraw/zinc/27/69/77/176276977.db2.gz DQDMKRSOKWHZDI-GRYCIOLGSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000309098326 176276978 /nfs/dbraw/zinc/27/69/78/176276978.db2.gz DQDMKRSOKWHZDI-GRYCIOLGSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCn1ccnn1 ZINC000309738221 176277012 /nfs/dbraw/zinc/27/70/12/176277012.db2.gz CUDMDGVHCNOKKA-GHMZBOCLSA-N 2 2 223.324 0.208 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCn1ccnn1 ZINC000309738221 176277013 /nfs/dbraw/zinc/27/70/13/176277013.db2.gz CUDMDGVHCNOKKA-GHMZBOCLSA-N 2 2 223.324 0.208 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCn1cccn1 ZINC000336781408 176277469 /nfs/dbraw/zinc/27/74/69/176277469.db2.gz UPPORKFBWCKVAG-VXGBXAGGSA-N 2 2 222.336 0.813 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCn1cccn1 ZINC000336781408 176277470 /nfs/dbraw/zinc/27/74/70/176277470.db2.gz UPPORKFBWCKVAG-VXGBXAGGSA-N 2 2 222.336 0.813 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000358283844 176277520 /nfs/dbraw/zinc/27/75/20/176277520.db2.gz DMDSVZBKMLCJTG-IRUJWGPZSA-N 2 2 234.347 0.807 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000358283844 176277522 /nfs/dbraw/zinc/27/75/22/176277522.db2.gz DMDSVZBKMLCJTG-IRUJWGPZSA-N 2 2 234.347 0.807 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1N[C@H]1CC[NH+](C2CC2)C1 ZINC000336781706 176279139 /nfs/dbraw/zinc/27/91/39/176279139.db2.gz VIQPUWHWOCJWMU-NTZNESFSSA-N 2 2 223.364 0.763 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@H]1CC[NH+](C2CC2)C1 ZINC000336781706 176279140 /nfs/dbraw/zinc/27/91/40/176279140.db2.gz VIQPUWHWOCJWMU-NTZNESFSSA-N 2 2 223.364 0.763 20 0 BCADLP C[C@@H]1C[NH+](C)C[C@H]1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000336781706 176279141 /nfs/dbraw/zinc/27/91/41/176279141.db2.gz VIQPUWHWOCJWMU-NTZNESFSSA-N 2 2 223.364 0.763 20 0 BCADLP C[C@@H]1C[NH+](C)C[C@H]1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000336781706 176279142 /nfs/dbraw/zinc/27/91/42/176279142.db2.gz VIQPUWHWOCJWMU-NTZNESFSSA-N 2 2 223.364 0.763 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC(=O)N(C)C1 ZINC000358078004 176281098 /nfs/dbraw/zinc/28/10/98/176281098.db2.gz CCJXVFSDRUXDBP-SCVCMEIPSA-N 2 2 237.347 0.289 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC(=O)N(C)C1 ZINC000358078004 176281100 /nfs/dbraw/zinc/28/11/00/176281100.db2.gz CCJXVFSDRUXDBP-SCVCMEIPSA-N 2 2 237.347 0.289 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1COCCO1 ZINC000358235412 176281776 /nfs/dbraw/zinc/28/17/76/176281776.db2.gz RWEWKYDJURMOOW-WXHSDQCUSA-N 2 2 240.347 0.474 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1COCCO1 ZINC000358235412 176281778 /nfs/dbraw/zinc/28/17/78/176281778.db2.gz RWEWKYDJURMOOW-WXHSDQCUSA-N 2 2 240.347 0.474 20 0 BCADLP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@H](CO)O1 ZINC000191787243 176292201 /nfs/dbraw/zinc/29/22/01/176292201.db2.gz JETLLFCWFWGGEC-FRRDWIJNSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@H](CO)O1 ZINC000191787243 176292202 /nfs/dbraw/zinc/29/22/02/176292202.db2.gz JETLLFCWFWGGEC-FRRDWIJNSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@H](CO)O1 ZINC000191787243 176292203 /nfs/dbraw/zinc/29/22/03/176292203.db2.gz JETLLFCWFWGGEC-FRRDWIJNSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@H](CO)O1 ZINC000191787243 176292205 /nfs/dbraw/zinc/29/22/05/176292205.db2.gz JETLLFCWFWGGEC-FRRDWIJNSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC[C@@H]1O ZINC000310123353 176299358 /nfs/dbraw/zinc/29/93/58/176299358.db2.gz VSTBHJNAYLNRNN-RTXFEEFZSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC[C@@H]1O ZINC000310123353 176299360 /nfs/dbraw/zinc/29/93/60/176299360.db2.gz VSTBHJNAYLNRNN-RTXFEEFZSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC[C@@H]1O ZINC000310123353 176299361 /nfs/dbraw/zinc/29/93/61/176299361.db2.gz VSTBHJNAYLNRNN-RTXFEEFZSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC[C@@H]1O ZINC000310123353 176299363 /nfs/dbraw/zinc/29/93/63/176299363.db2.gz VSTBHJNAYLNRNN-RTXFEEFZSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1CN(Cc2[nH+]ccn2C)CC[C@@H]1[NH3+] ZINC000070853630 176312255 /nfs/dbraw/zinc/31/22/55/176312255.db2.gz AUJHLPGDVAHSDH-ZJUUUORDSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@@H]1C[N@H+](Cc2nccn2C)CC[C@@H]1[NH3+] ZINC000070853630 176312256 /nfs/dbraw/zinc/31/22/56/176312256.db2.gz AUJHLPGDVAHSDH-ZJUUUORDSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2nccn2C)CC[C@@H]1[NH3+] ZINC000070853630 176312257 /nfs/dbraw/zinc/31/22/57/176312257.db2.gz AUJHLPGDVAHSDH-ZJUUUORDSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@@H]1COCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000271806393 176336793 /nfs/dbraw/zinc/33/67/93/176336793.db2.gz MMFVXWRQLGUCLQ-LLVKDONJSA-N 2 2 209.293 0.994 20 0 BCADLP C[C@@H]1COCC[N@H+]1CCCn1cc[nH+]c1 ZINC000271806393 176336794 /nfs/dbraw/zinc/33/67/94/176336794.db2.gz MMFVXWRQLGUCLQ-LLVKDONJSA-N 2 2 209.293 0.994 20 0 BCADLP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000302164240 176341352 /nfs/dbraw/zinc/34/13/52/176341352.db2.gz LPZGJOKBBZPUFZ-UPJWGTAASA-N 2 2 241.379 0.247 20 0 BCADLP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000302164240 176341353 /nfs/dbraw/zinc/34/13/53/176341353.db2.gz LPZGJOKBBZPUFZ-UPJWGTAASA-N 2 2 241.379 0.247 20 0 BCADLP C[C@@H]1CSCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336671383 176351547 /nfs/dbraw/zinc/35/15/47/176351547.db2.gz SFQUDCHYOLAZBG-PWSUYJOCSA-N 2 2 244.404 0.879 20 0 BCADLP C[C@@H]1CSCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336671383 176351549 /nfs/dbraw/zinc/35/15/49/176351549.db2.gz SFQUDCHYOLAZBG-PWSUYJOCSA-N 2 2 244.404 0.879 20 0 BCADLP C[C@@H]1CSCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336671383 176351551 /nfs/dbraw/zinc/35/15/51/176351551.db2.gz SFQUDCHYOLAZBG-PWSUYJOCSA-N 2 2 244.404 0.879 20 0 BCADLP C[C@@H]1CSCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336671383 176351552 /nfs/dbraw/zinc/35/15/52/176351552.db2.gz SFQUDCHYOLAZBG-PWSUYJOCSA-N 2 2 244.404 0.879 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCCCO)C[N@@H+]1C1CC1 ZINC000193280341 176374953 /nfs/dbraw/zinc/37/49/53/176374953.db2.gz YWOBIYOIRABWFP-GHMZBOCLSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCCCO)C[N@H+]1C1CC1 ZINC000193280341 176374956 /nfs/dbraw/zinc/37/49/56/176374956.db2.gz YWOBIYOIRABWFP-GHMZBOCLSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@H](O)[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000166115377 177014797 /nfs/dbraw/zinc/01/47/97/177014797.db2.gz RMTGWDCEFRSMEY-RYUDHWBXSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H](O)[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000166115377 177014798 /nfs/dbraw/zinc/01/47/98/177014798.db2.gz RMTGWDCEFRSMEY-RYUDHWBXSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H]1CCC[N@H+](CCn2cc[nH+]c2)[C@H]1CO ZINC000305694102 177100555 /nfs/dbraw/zinc/10/05/55/177100555.db2.gz STSFTIBUYZZOLG-RYUDHWBXSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)[C@H]1CO ZINC000305694102 177100556 /nfs/dbraw/zinc/10/05/56/177100556.db2.gz STSFTIBUYZZOLG-RYUDHWBXSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1c[nH+]cn1C ZINC000309739135 177173971 /nfs/dbraw/zinc/17/39/71/177173971.db2.gz CYIIXZYGPRQWNY-WCBMZHEXSA-N 2 2 222.292 0.034 20 0 BCADLP C[C@H]1CC[NH2+][C@@H](C(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000127166718 177175721 /nfs/dbraw/zinc/17/57/21/177175721.db2.gz WHTWQCWPAOGIQG-WDEREUQCSA-N 2 2 248.330 0.613 20 0 BCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1c[nH+]c[nH]1 ZINC000331274813 177185653 /nfs/dbraw/zinc/18/56/53/177185653.db2.gz DNTKDTFVMSUNJI-AOOOYVTPSA-N 2 2 236.319 0.899 20 0 BCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1c[nH+]c[nH]1 ZINC000331274813 177185654 /nfs/dbraw/zinc/18/56/54/177185654.db2.gz DNTKDTFVMSUNJI-AOOOYVTPSA-N 2 2 236.319 0.899 20 0 BCADLP C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1[NH+](C)C ZINC000284193312 177210964 /nfs/dbraw/zinc/21/09/64/177210964.db2.gz YZOXLJSAAIEOIY-KOBKQOIESA-N 2 2 248.330 0.831 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC(=O)NC(C)(C)C ZINC000358137408 177235428 /nfs/dbraw/zinc/23/54/28/177235428.db2.gz UUUJFPCWFDJCAF-QWRGUYRKSA-N 2 2 241.379 0.831 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC(=O)NC(C)(C)C ZINC000358137408 177235431 /nfs/dbraw/zinc/23/54/31/177235431.db2.gz UUUJFPCWFDJCAF-QWRGUYRKSA-N 2 2 241.379 0.831 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000309148914 177236202 /nfs/dbraw/zinc/23/62/02/177236202.db2.gz VYBWWGIRIFNOMA-ONGXEEELSA-N 2 2 208.309 0.460 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000309148914 177236203 /nfs/dbraw/zinc/23/62/03/177236203.db2.gz VYBWWGIRIFNOMA-ONGXEEELSA-N 2 2 208.309 0.460 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1=CC[NH+](C)CC1 ZINC000335605719 177236451 /nfs/dbraw/zinc/23/64/51/177236451.db2.gz FPTCYSPKGIFOKC-AAEUAGOBSA-N 3 2 223.364 0.788 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1=CC[NH+](C)CC1 ZINC000335605719 177236453 /nfs/dbraw/zinc/23/64/53/177236453.db2.gz FPTCYSPKGIFOKC-AAEUAGOBSA-N 3 2 223.364 0.788 20 0 BCADLP C[C@H]1C[NH+](C)C[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000335605719 177236455 /nfs/dbraw/zinc/23/64/55/177236455.db2.gz FPTCYSPKGIFOKC-AAEUAGOBSA-N 3 2 223.364 0.788 20 0 BCADLP C[C@H]1C[NH+](C)C[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335605719 177236457 /nfs/dbraw/zinc/23/64/57/177236457.db2.gz FPTCYSPKGIFOKC-AAEUAGOBSA-N 3 2 223.364 0.788 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)C(N)=O ZINC000309090514 177236692 /nfs/dbraw/zinc/23/66/92/177236692.db2.gz BAHKZXJMUYOPEG-IUCAKERBSA-N 2 2 213.325 0.038 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)C(N)=O ZINC000309090514 177236693 /nfs/dbraw/zinc/23/66/93/177236693.db2.gz BAHKZXJMUYOPEG-IUCAKERBSA-N 2 2 213.325 0.038 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1CCSCC1 ZINC000336780445 177236734 /nfs/dbraw/zinc/23/67/34/177236734.db2.gz RIMYUWBDOVHHKV-RYUDHWBXSA-N 2 2 243.420 0.575 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1CCSCC1 ZINC000336780445 177236735 /nfs/dbraw/zinc/23/67/35/177236735.db2.gz RIMYUWBDOVHHKV-RYUDHWBXSA-N 2 2 243.420 0.575 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1CC=CCC1 ZINC000336782399 177237176 /nfs/dbraw/zinc/23/71/76/177237176.db2.gz XMICIKYXLYTSRV-QWHCGFSZSA-N 2 2 223.364 0.788 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1CC=CCC1 ZINC000336782399 177237177 /nfs/dbraw/zinc/23/71/77/177237177.db2.gz XMICIKYXLYTSRV-QWHCGFSZSA-N 2 2 223.364 0.788 20 0 BCADLP C[C@H]1CN(C)C[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000309136748 177237304 /nfs/dbraw/zinc/23/73/04/177237304.db2.gz SDWGEJSFNVTGNY-WDEREUQCSA-N 2 2 208.309 0.423 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccn(C)n1 ZINC000336779653 177237406 /nfs/dbraw/zinc/23/74/06/177237406.db2.gz PASRAPZNLUOAKH-CMPLNLGQSA-N 2 2 222.336 0.502 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccn(C)n1 ZINC000336779653 177237407 /nfs/dbraw/zinc/23/74/07/177237407.db2.gz PASRAPZNLUOAKH-CMPLNLGQSA-N 2 2 222.336 0.502 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCn1cccn1 ZINC000336748301 177237827 /nfs/dbraw/zinc/23/78/27/177237827.db2.gz DEONHOUQHIARIZ-WDEREUQCSA-N 2 2 208.309 0.423 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCn1cccn1 ZINC000336748301 177237828 /nfs/dbraw/zinc/23/78/28/177237828.db2.gz DEONHOUQHIARIZ-WDEREUQCSA-N 2 2 208.309 0.423 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000362764518 177238034 /nfs/dbraw/zinc/23/80/34/177238034.db2.gz CDNZTKNTLXIJCV-VHSXEESVSA-N 2 2 236.319 0.266 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000362764518 177238036 /nfs/dbraw/zinc/23/80/36/177238036.db2.gz CDNZTKNTLXIJCV-VHSXEESVSA-N 2 2 236.319 0.266 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCCO ZINC000336760014 177241982 /nfs/dbraw/zinc/24/19/82/177241982.db2.gz LVSOHSGUYKMROU-CMPLNLGQSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCCO ZINC000336760014 177241984 /nfs/dbraw/zinc/24/19/84/177241984.db2.gz LVSOHSGUYKMROU-CMPLNLGQSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@@H]1CO ZINC000362078197 177251683 /nfs/dbraw/zinc/25/16/83/177251683.db2.gz PWKNSFKPLTZCKM-NWDGAFQWSA-N 2 2 223.320 0.833 20 0 BCADLP C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@@H]1CO ZINC000362078197 177251686 /nfs/dbraw/zinc/25/16/86/177251686.db2.gz PWKNSFKPLTZCKM-NWDGAFQWSA-N 2 2 223.320 0.833 20 0 BCADLP C[C@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)CCCO1 ZINC000061934656 177258080 /nfs/dbraw/zinc/25/80/80/177258080.db2.gz QSYNFAZARYNAOR-QWRGUYRKSA-N 2 2 214.309 0.086 20 0 BCADLP C[C@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)CCCO1 ZINC000061934656 177258082 /nfs/dbraw/zinc/25/80/82/177258082.db2.gz QSYNFAZARYNAOR-QWRGUYRKSA-N 2 2 214.309 0.086 20 0 BCADLP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000334156190 177283846 /nfs/dbraw/zinc/28/38/46/177283846.db2.gz XRNQTIZRZRDEGI-DTWKUNHWSA-N 2 2 247.289 0.052 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H](C)N1Cc1[nH+]ccn1C ZINC000068914428 177286083 /nfs/dbraw/zinc/28/60/83/177286083.db2.gz BWVQBMNZTLVQBX-AOOOYVTPSA-N 2 2 208.309 0.602 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cnnn1C ZINC000352598980 177333887 /nfs/dbraw/zinc/33/38/87/177333887.db2.gz WRHUFCFWCITYIO-JFGNBEQYSA-N 2 2 237.351 0.633 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cnnn1C ZINC000352598980 177333888 /nfs/dbraw/zinc/33/38/88/177333888.db2.gz WRHUFCFWCITYIO-JFGNBEQYSA-N 2 2 237.351 0.633 20 0 BCADLP C[C@H]1C[C@@H](O)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000343632266 177337456 /nfs/dbraw/zinc/33/74/56/177337456.db2.gz RWUPKSYGOHTVRF-WDEREUQCSA-N 2 2 209.293 0.728 20 0 BCADLP C[C@H]1C[C@@H](O)C[N@H+]1CCCn1cc[nH+]c1 ZINC000343632266 177337457 /nfs/dbraw/zinc/33/74/57/177337457.db2.gz RWUPKSYGOHTVRF-WDEREUQCSA-N 2 2 209.293 0.728 20 0 BCADLP C[C@H]1C[C@H](C)[NH+]1CC(=O)N1CC[NH+](C)CC1 ZINC000336622756 177360617 /nfs/dbraw/zinc/36/06/17/177360617.db2.gz LIBNKFSMYSRUKQ-QWRGUYRKSA-N 2 2 225.336 0.243 20 0 BCADLP C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[NH2+]1 ZINC000235707433 177366999 /nfs/dbraw/zinc/36/69/99/177366999.db2.gz UMNRJFBYCQJFAC-WDEREUQCSA-N 2 2 236.319 0.530 20 0 BCADLP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)n(C)n1 ZINC000400392621 225151901 /nfs/dbraw/zinc/15/19/01/225151901.db2.gz JGCAOWFOCWWCQA-CMPLNLGQSA-N 2 2 222.336 0.959 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COC)C1 ZINC000328282984 487643978 /nfs/dbraw/zinc/64/39/78/487643978.db2.gz SJVAICMXYAJLIW-QWRGUYRKSA-N 2 2 216.325 0.068 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)COC)C1 ZINC000328282984 487643986 /nfs/dbraw/zinc/64/39/86/487643986.db2.gz SJVAICMXYAJLIW-QWRGUYRKSA-N 2 2 216.325 0.068 20 0 BCADLP C[NH+](C)C/C=C\C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000492720912 226041972 /nfs/dbraw/zinc/04/19/72/226041972.db2.gz RCSOPRCRAHYKJI-DLRQAJBASA-N 2 2 248.330 0.432 20 0 BCADLP C[NH+](C)C/C=C/C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000492720914 226042904 /nfs/dbraw/zinc/04/29/04/226042904.db2.gz RCSOPRCRAHYKJI-PGLGOXFNSA-N 2 2 248.330 0.432 20 0 BCADLP O=C(C=Cc1c[nH]c[nH+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000492899384 226077833 /nfs/dbraw/zinc/07/78/33/226077833.db2.gz MDJVKTXBUHCGCX-MVZIDQBPSA-N 2 2 246.314 0.730 20 0 BCADLP C[C@@H]1[C@H](C)N(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@H+]1C ZINC000493364572 226195862 /nfs/dbraw/zinc/19/58/62/226195862.db2.gz GSBPOQFHDDMRME-ZJRFNNFUSA-N 2 2 248.330 0.974 20 0 BCADLP C[C@@H]1[C@H](C)N(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@@H+]1C ZINC000493364572 226195865 /nfs/dbraw/zinc/19/58/65/226195865.db2.gz GSBPOQFHDDMRME-ZJRFNNFUSA-N 2 2 248.330 0.974 20 0 BCADLP CN(CCC[NH+](C)C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493700126 226250018 /nfs/dbraw/zinc/25/00/18/226250018.db2.gz ZQDIOFZHCMEASN-WAYWQWQTSA-N 2 2 236.319 0.833 20 0 BCADLP CN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@H]1CCC[N@H+](C)C1 ZINC000493793217 226254374 /nfs/dbraw/zinc/25/43/74/226254374.db2.gz QKYUQXOKUSYQJB-QRGHLMKCSA-N 2 2 248.330 0.976 20 0 BCADLP CN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@H]1CCC[N@@H+](C)C1 ZINC000493793217 226254375 /nfs/dbraw/zinc/25/43/75/226254375.db2.gz QKYUQXOKUSYQJB-QRGHLMKCSA-N 2 2 248.330 0.976 20 0 BCADLP O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000493798137 226254653 /nfs/dbraw/zinc/25/46/53/226254653.db2.gz WCRHZAQQPIFIAJ-CLUFZFBRSA-N 2 2 246.314 0.776 20 0 BCADLP C[C@@]1(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)CC[NH2+]C1 ZINC000496048518 226295411 /nfs/dbraw/zinc/29/54/11/226295411.db2.gz HTMKTGJDDZMVTN-CMPLNLGQSA-N 2 2 239.319 0.122 20 0 BCADLP C[C@@]1(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)CC[NH2+]C1 ZINC000496048518 226295412 /nfs/dbraw/zinc/29/54/12/226295412.db2.gz HTMKTGJDDZMVTN-CMPLNLGQSA-N 2 2 239.319 0.122 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000314863020 487669106 /nfs/dbraw/zinc/66/91/06/487669106.db2.gz JOXXSYPHUNNIMN-SNVBAGLBSA-N 3 2 208.309 0.386 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H]([NH3+])C1 ZINC000314863020 487669107 /nfs/dbraw/zinc/66/91/07/487669107.db2.gz JOXXSYPHUNNIMN-SNVBAGLBSA-N 3 2 208.309 0.386 20 0 BCADLP Cc1ncc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])s1 ZINC000087613446 487671618 /nfs/dbraw/zinc/67/16/18/487671618.db2.gz SNRJHRRYQCCXPS-JTQLQIEISA-N 2 2 240.376 0.526 20 0 BCADLP Cc1ncc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])s1 ZINC000087613446 487671621 /nfs/dbraw/zinc/67/16/21/487671621.db2.gz SNRJHRRYQCCXPS-JTQLQIEISA-N 2 2 240.376 0.526 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCO[C@@H](C)C1 ZINC000384031439 487688837 /nfs/dbraw/zinc/68/88/37/487688837.db2.gz STYNNCKFPMNSBJ-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCO[C@@H](C)C1 ZINC000384031439 487688839 /nfs/dbraw/zinc/68/88/39/487688839.db2.gz STYNNCKFPMNSBJ-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000384031439 487688844 /nfs/dbraw/zinc/68/88/44/487688844.db2.gz STYNNCKFPMNSBJ-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCO[C@@H](C)C1 ZINC000384031439 487688849 /nfs/dbraw/zinc/68/88/49/487688849.db2.gz STYNNCKFPMNSBJ-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP Cn1nncc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000394877444 487693967 /nfs/dbraw/zinc/69/39/67/487693967.db2.gz PLKCBAVPAQVUPU-WCQYABFASA-N 2 2 249.362 0.779 20 0 BCADLP Cn1nncc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000394877444 487693971 /nfs/dbraw/zinc/69/39/71/487693971.db2.gz PLKCBAVPAQVUPU-WCQYABFASA-N 2 2 249.362 0.779 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@@H]1COC(C)(C)C1 ZINC000396908080 262826048 /nfs/dbraw/zinc/82/60/48/262826048.db2.gz BEOFYLZEELLGKN-NSHDSACASA-N 2 2 230.352 0.722 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@@H]1COC(C)(C)C1 ZINC000396908080 262826049 /nfs/dbraw/zinc/82/60/49/262826049.db2.gz BEOFYLZEELLGKN-NSHDSACASA-N 2 2 230.352 0.722 20 0 BCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CC2(C)C)[C@@H](C[NH3+])C1 ZINC000669403667 487709241 /nfs/dbraw/zinc/70/92/41/487709241.db2.gz YUWVEBPWCUKELA-UWVGGRQHSA-N 2 2 240.351 0.069 20 0 BCADLP C[N@H+]1CCN(C(=O)N[C@H]2CC2(C)C)[C@@H](C[NH3+])C1 ZINC000669403667 487709247 /nfs/dbraw/zinc/70/92/47/487709247.db2.gz YUWVEBPWCUKELA-UWVGGRQHSA-N 2 2 240.351 0.069 20 0 BCADLP CC1(C)C[N@H+](C[C@H]2C[NH2+]CCO2)CCCO1 ZINC000309371231 487709468 /nfs/dbraw/zinc/70/94/68/487709468.db2.gz BZLRENQBRASJPN-LLVKDONJSA-N 2 2 228.336 0.476 20 0 BCADLP CC1(C)C[N@@H+](C[C@H]2C[NH2+]CCO2)CCCO1 ZINC000309371231 487709473 /nfs/dbraw/zinc/70/94/73/487709473.db2.gz BZLRENQBRASJPN-LLVKDONJSA-N 2 2 228.336 0.476 20 0 BCADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000082667590 487716658 /nfs/dbraw/zinc/71/66/58/487716658.db2.gz RNAZBIUDTUYLST-LLVKDONJSA-N 2 2 227.352 0.585 20 0 BCADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000082667590 487716662 /nfs/dbraw/zinc/71/66/62/487716662.db2.gz RNAZBIUDTUYLST-LLVKDONJSA-N 2 2 227.352 0.585 20 0 BCADLP C[C@]1(O)CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667688504 487720253 /nfs/dbraw/zinc/72/02/53/487720253.db2.gz VHSOTYLEPZCQIF-LBPRGKRZSA-N 2 2 221.304 0.786 20 0 BCADLP C[C@]1(O)CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667688504 487720260 /nfs/dbraw/zinc/72/02/60/487720260.db2.gz VHSOTYLEPZCQIF-LBPRGKRZSA-N 2 2 221.304 0.786 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)CC(C)(C)[NH3+] ZINC000082772773 487731817 /nfs/dbraw/zinc/73/18/17/487731817.db2.gz PMVKDYWZGDMNOG-UHFFFAOYSA-N 2 2 210.281 0.496 20 0 BCADLP COC1CC([NH2+]CC[NH+]2CCC(OC)CC2)C1 ZINC000681119883 487732696 /nfs/dbraw/zinc/73/26/96/487732696.db2.gz NLSAZXCPANKIOW-UHFFFAOYSA-N 2 2 242.363 0.864 20 0 BCADLP C[NH+](C)[C@H]1CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665697993 487733198 /nfs/dbraw/zinc/73/31/98/487733198.db2.gz KLIQDNQVYAZXPI-VIFPVBQESA-N 2 2 249.318 0.421 20 0 BCADLP CCn1ncnc1C[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000088589531 487738565 /nfs/dbraw/zinc/73/85/65/487738565.db2.gz FTOPJIFDSIXUSD-NSHDSACASA-N 2 2 237.351 0.729 20 0 BCADLP CCn1ncnc1C[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000088589531 487738572 /nfs/dbraw/zinc/73/85/72/487738572.db2.gz FTOPJIFDSIXUSD-NSHDSACASA-N 2 2 237.351 0.729 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)CCC(C)(C)[NH3+] ZINC000069634272 487757137 /nfs/dbraw/zinc/75/71/37/487757137.db2.gz NQJHUVMLIPQTJU-UHFFFAOYSA-N 2 2 224.308 0.554 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C1([NH+](C)C)CC1 ZINC000668448085 487769744 /nfs/dbraw/zinc/76/97/44/487769744.db2.gz KVZGQVVTMRSDMR-UHFFFAOYSA-N 2 2 222.292 0.462 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000675783908 487778374 /nfs/dbraw/zinc/77/83/74/487778374.db2.gz CZAWTVJHTJWODL-MNOVXSKESA-N 2 2 235.335 0.493 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000675783908 487778378 /nfs/dbraw/zinc/77/83/78/487778378.db2.gz CZAWTVJHTJWODL-MNOVXSKESA-N 2 2 235.335 0.493 20 0 BCADLP COc1cncc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000675895429 487788801 /nfs/dbraw/zinc/78/88/01/487788801.db2.gz ISQQSFZVLGIIOE-RYUDHWBXSA-N 2 2 233.315 0.741 20 0 BCADLP O=C1NCCC[C@@H]1[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000675958848 487797203 /nfs/dbraw/zinc/79/72/03/487797203.db2.gz CMPNUPKDGDBPDA-RYUDHWBXSA-N 2 2 248.330 0.799 20 0 BCADLP O=C1NCCC[C@@H]1[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000675958848 487797205 /nfs/dbraw/zinc/79/72/05/487797205.db2.gz CMPNUPKDGDBPDA-RYUDHWBXSA-N 2 2 248.330 0.799 20 0 BCADLP CO[C@@H](C)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000223952502 487806595 /nfs/dbraw/zinc/80/65/95/487806595.db2.gz LYTFZAUGFMREEX-OUAUKWLOSA-N 2 2 216.325 0.378 20 0 BCADLP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000251922060 487807725 /nfs/dbraw/zinc/80/77/25/487807725.db2.gz YNTOVGVBAIDEBJ-IJLUTSLNSA-N 2 2 228.336 0.474 20 0 BCADLP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000251922060 487807728 /nfs/dbraw/zinc/80/77/28/487807728.db2.gz YNTOVGVBAIDEBJ-IJLUTSLNSA-N 2 2 228.336 0.474 20 0 BCADLP C[C@@H](C(=O)N(C)CCCn1cc[nH+]c1)[NH+](C)C ZINC000676191446 487819021 /nfs/dbraw/zinc/81/90/21/487819021.db2.gz QALKKVMQCWSUQH-NSHDSACASA-N 2 2 238.335 0.682 20 0 BCADLP CCn1cc[nH+]c1CN1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000252681512 487828953 /nfs/dbraw/zinc/82/89/53/487828953.db2.gz AJGLFDLLNGXGNR-WDEREUQCSA-N 2 2 238.335 0.451 20 0 BCADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC000401796011 487832940 /nfs/dbraw/zinc/83/29/40/487832940.db2.gz JOACNTMRZSNAFE-ONGXEEELSA-N 2 2 225.336 0.100 20 0 BCADLP C[N@H+](CCOC(C)(C)C)C[C@@H]1C[NH2+]CCO1 ZINC000164504292 487841551 /nfs/dbraw/zinc/84/15/51/487841551.db2.gz KJKNDPVXDUGIFX-NSHDSACASA-N 2 2 230.352 0.722 20 0 BCADLP C[N@@H+](CCOC(C)(C)C)C[C@@H]1C[NH2+]CCO1 ZINC000164504292 487841556 /nfs/dbraw/zinc/84/15/56/487841556.db2.gz KJKNDPVXDUGIFX-NSHDSACASA-N 2 2 230.352 0.722 20 0 BCADLP CCc1nn(C)cc1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000666834278 487887879 /nfs/dbraw/zinc/88/78/79/487887879.db2.gz RXNYJWZBBRXHSN-NSHDSACASA-N 2 2 222.336 0.809 20 0 BCADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000111825335 487892049 /nfs/dbraw/zinc/89/20/49/487892049.db2.gz ZYOGYOZZVDQBIJ-NEPJUHHUSA-N 2 2 239.363 0.729 20 0 BCADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000111825335 487892052 /nfs/dbraw/zinc/89/20/52/487892052.db2.gz ZYOGYOZZVDQBIJ-NEPJUHHUSA-N 2 2 239.363 0.729 20 0 BCADLP C[N@@H+](Cc1cnn2c1CCC2)CC1C[NH+](C)C1 ZINC000668539230 487904139 /nfs/dbraw/zinc/90/41/39/487904139.db2.gz PDXMAGNVLHJOKD-UHFFFAOYSA-N 2 2 234.347 0.823 20 0 BCADLP C[N@H+](Cc1cnn2c1CCC2)CC1C[NH+](C)C1 ZINC000668539230 487904141 /nfs/dbraw/zinc/90/41/41/487904141.db2.gz PDXMAGNVLHJOKD-UHFFFAOYSA-N 2 2 234.347 0.823 20 0 BCADLP CCC[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000668541215 487911705 /nfs/dbraw/zinc/91/17/05/487911705.db2.gz JCUGXDTVGDOYOT-MNOVXSKESA-N 2 2 242.367 0.459 20 0 BCADLP CCC[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000668541215 487911699 /nfs/dbraw/zinc/91/16/99/487911699.db2.gz JCUGXDTVGDOYOT-MNOVXSKESA-N 2 2 242.367 0.459 20 0 BCADLP C[C@@H]1C[C@H](C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CC[NH2+]1 ZINC000666947582 487911810 /nfs/dbraw/zinc/91/18/10/487911810.db2.gz BOWPRVCGHILERM-WYUUTHIRSA-N 3 2 229.343 0.664 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000080530861 487912260 /nfs/dbraw/zinc/91/22/60/487912260.db2.gz BJKTWDVGTWQKLM-GFCCVEGCSA-N 2 2 236.319 0.758 20 0 BCADLP Cc1cccn2c(C[NH2+]C[C@](C)(O)CO)c[nH+]c12 ZINC000684536900 487937199 /nfs/dbraw/zinc/93/71/99/487937199.db2.gz ZNEJVTCVAYTNAB-ZDUSSCGKSA-N 2 2 249.314 0.476 20 0 BCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCC1 ZINC000676949298 487949414 /nfs/dbraw/zinc/94/94/14/487949414.db2.gz YBERGLSMUPMYAZ-LLVKDONJSA-N 2 2 225.336 0.293 20 0 BCADLP CNC(=O)[C@@H]([NH2+]CCCn1cc[nH+]c1)C(C)C ZINC000179672456 322820027 /nfs/dbraw/zinc/82/00/27/322820027.db2.gz PUQDBYNCYUOPRQ-NSHDSACASA-N 2 2 238.335 0.633 20 0 BCADLP Cc1cccn2cc(CC(=O)N(C)CC[NH3+])[nH+]c12 ZINC000566295574 322983843 /nfs/dbraw/zinc/98/38/43/322983843.db2.gz RFRWAEATDOMIIO-UHFFFAOYSA-N 2 2 246.314 0.602 20 0 BCADLP O=C(Nc1ccc2[nH+]ccn2c1)NC1C[NH2+]C1 ZINC000560978565 322993997 /nfs/dbraw/zinc/99/39/97/322993997.db2.gz FCWGCNFRJKUHKR-UHFFFAOYSA-N 2 2 231.259 0.428 20 0 BCADLP C[N@H+](CCOC[C@@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC000564729264 323011557 /nfs/dbraw/zinc/01/15/57/323011557.db2.gz OSVHWKUXOBGLOD-RYUDHWBXSA-N 2 2 228.336 0.476 20 0 BCADLP C[N@@H+](CCOC[C@@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC000564729264 323011558 /nfs/dbraw/zinc/01/15/58/323011558.db2.gz OSVHWKUXOBGLOD-RYUDHWBXSA-N 2 2 228.336 0.476 20 0 BCADLP CCC[NH2+]CCNCc1[nH+]ccn1CC ZINC000562744102 323029848 /nfs/dbraw/zinc/02/98/48/323029848.db2.gz HXURGWLFCOSWSW-UHFFFAOYSA-N 2 2 210.325 0.992 20 0 BCADLP Cc1cc(NC(=O)N(C)[C@H](C)C[NH3+])c(C)c[nH+]1 ZINC000562755657 323029983 /nfs/dbraw/zinc/02/99/83/323029983.db2.gz UOAXJPWLWJWBFM-SNVBAGLBSA-N 2 2 236.319 0.931 20 0 BCADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccon1 ZINC000569694327 323037247 /nfs/dbraw/zinc/03/72/47/323037247.db2.gz RAPCWDSTCINQEE-UHFFFAOYSA-N 2 2 224.308 0.012 20 0 BCADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccon1 ZINC000569694327 323037248 /nfs/dbraw/zinc/03/72/48/323037248.db2.gz RAPCWDSTCINQEE-UHFFFAOYSA-N 2 2 224.308 0.012 20 0 BCADLP CC[N@H+](CCO)CCNCc1c[nH+]c(C)n1C ZINC000570176364 323052271 /nfs/dbraw/zinc/05/22/71/323052271.db2.gz MRRMDXWFCJDCMG-UHFFFAOYSA-N 2 2 240.351 0.132 20 0 BCADLP CC[N@@H+](CCO)CCNCc1c[nH+]c(C)n1C ZINC000570176364 323052272 /nfs/dbraw/zinc/05/22/72/323052272.db2.gz MRRMDXWFCJDCMG-UHFFFAOYSA-N 2 2 240.351 0.132 20 0 BCADLP CN(CCCn1cc[nH+]c1)C(=O)Cn1cc[nH+]c1 ZINC000570445340 323059662 /nfs/dbraw/zinc/05/96/62/323059662.db2.gz QHKGOOLORDWDOH-UHFFFAOYSA-N 2 2 247.302 0.628 20 0 BCADLP Cn1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)n1 ZINC000570642523 323065777 /nfs/dbraw/zinc/06/57/77/323065777.db2.gz VUTQJGCIDXVUPF-UHFFFAOYSA-N 2 2 246.318 0.465 20 0 BCADLP C[C@H](C[NH3+])NC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000570927152 323074427 /nfs/dbraw/zinc/07/44/27/323074427.db2.gz ZCURSTQILILWAG-LHLIQPBNSA-N 2 2 243.257 0.428 20 0 BCADLP C[NH2+]CCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000570925185 323074660 /nfs/dbraw/zinc/07/46/60/323074660.db2.gz JUBOONMERNODHK-UHFFFAOYSA-N 2 2 221.304 0.924 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000493092837 323085414 /nfs/dbraw/zinc/08/54/14/323085414.db2.gz IQKZCELUDXJWSL-ZWNMCFTASA-N 2 2 248.330 0.737 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000563207482 323101893 /nfs/dbraw/zinc/10/18/93/323101893.db2.gz OGCKWCZDFLJPQE-ZJUUUORDSA-N 2 2 246.314 0.729 20 0 BCADLP [NH3+]CC[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000563269869 323107153 /nfs/dbraw/zinc/10/71/53/323107153.db2.gz ZTCGZGPAAJGZFJ-IUCAKERBSA-N 2 2 202.323 0.151 20 0 BCADLP [NH3+]CC[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000563269869 323107154 /nfs/dbraw/zinc/10/71/54/323107154.db2.gz ZTCGZGPAAJGZFJ-IUCAKERBSA-N 2 2 202.323 0.151 20 0 BCADLP C[C@@H](CC(=O)N(C)C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000531729197 323111669 /nfs/dbraw/zinc/11/16/69/323111669.db2.gz NDLJHFNSMMEGLF-NEPJUHHUSA-N 2 2 241.379 0.785 20 0 BCADLP C[C@@H](CC(=O)N(C)C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000531729197 323111670 /nfs/dbraw/zinc/11/16/70/323111670.db2.gz NDLJHFNSMMEGLF-NEPJUHHUSA-N 2 2 241.379 0.785 20 0 BCADLP CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1CCC1 ZINC000563351059 323120019 /nfs/dbraw/zinc/12/00/19/323120019.db2.gz VLNRILXGXCBEDM-CYBMUJFWSA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1CCC1 ZINC000563351059 323120020 /nfs/dbraw/zinc/12/00/20/323120020.db2.gz VLNRILXGXCBEDM-CYBMUJFWSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1CCC1 ZINC000563351059 323120021 /nfs/dbraw/zinc/12/00/21/323120021.db2.gz VLNRILXGXCBEDM-CYBMUJFWSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1CCC1 ZINC000563351059 323120022 /nfs/dbraw/zinc/12/00/22/323120022.db2.gz VLNRILXGXCBEDM-CYBMUJFWSA-N 2 2 244.379 0.800 20 0 BCADLP Cc1ncncc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000563417147 323123702 /nfs/dbraw/zinc/12/37/02/323123702.db2.gz ISTDRZPLRXVQIK-MWLCHTKSSA-N 2 2 238.335 0.358 20 0 BCADLP COc1ccnc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000563422678 323124342 /nfs/dbraw/zinc/12/43/42/323124342.db2.gz ACTAOVWJUMFKJZ-VHSXEESVSA-N 2 2 236.319 0.845 20 0 BCADLP CC[C@H](C(=O)N[C@H](C)c1[nH]cc[nH+]1)[NH+](C)C ZINC000563413465 323124862 /nfs/dbraw/zinc/12/48/62/323124862.db2.gz OSZBYTXRUNSOGJ-RKDXNWHRSA-N 2 2 224.308 0.927 20 0 BCADLP CCn1cc[nH+]c1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000310126466 323128265 /nfs/dbraw/zinc/12/82/65/323128265.db2.gz GBAKGRTWNAARFM-VXGBXAGGSA-N 2 2 234.347 0.944 20 0 BCADLP [NH3+]Cc1noc(CCCC[NH+]2CCOCC2)n1 ZINC000571324962 323141428 /nfs/dbraw/zinc/14/14/28/323141428.db2.gz JQXWGSGCFDHSDR-UHFFFAOYSA-N 2 2 240.307 0.183 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N(C)CC1CC1 ZINC000571340675 323141877 /nfs/dbraw/zinc/14/18/77/323141877.db2.gz JVOLVWNCYSQZBN-CMPLNLGQSA-N 2 2 239.363 0.666 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N(C)CC1CC1 ZINC000571340675 323141878 /nfs/dbraw/zinc/14/18/78/323141878.db2.gz JVOLVWNCYSQZBN-CMPLNLGQSA-N 2 2 239.363 0.666 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N(C)CC1CC1 ZINC000571340679 323141940 /nfs/dbraw/zinc/14/19/40/323141940.db2.gz JVOLVWNCYSQZBN-ZYHUDNBSSA-N 2 2 239.363 0.666 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N(C)CC1CC1 ZINC000571340679 323141941 /nfs/dbraw/zinc/14/19/41/323141941.db2.gz JVOLVWNCYSQZBN-ZYHUDNBSSA-N 2 2 239.363 0.666 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CC[C@@H](C)[S@@](C)=O)n1C ZINC000571344014 323142122 /nfs/dbraw/zinc/14/21/22/323142122.db2.gz BCQGDRHSWLHCGK-JDNHERCYSA-N 2 2 243.376 0.975 20 0 BCADLP Cn1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000112340855 323169249 /nfs/dbraw/zinc/16/92/49/323169249.db2.gz UIULJXGXXVOKGR-NSHDSACASA-N 2 2 234.347 0.994 20 0 BCADLP Cn1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000112340855 323169250 /nfs/dbraw/zinc/16/92/50/323169250.db2.gz UIULJXGXXVOKGR-NSHDSACASA-N 2 2 234.347 0.994 20 0 BCADLP COC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535313789 323170285 /nfs/dbraw/zinc/17/02/85/323170285.db2.gz OJCQWTVCLYTTCI-ZJUUUORDSA-N 2 2 237.303 0.771 20 0 BCADLP COC(=O)[C@@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535313789 323170286 /nfs/dbraw/zinc/17/02/86/323170286.db2.gz OJCQWTVCLYTTCI-ZJUUUORDSA-N 2 2 237.303 0.771 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000535311841 323170320 /nfs/dbraw/zinc/17/03/20/323170320.db2.gz AKBLYHGPZUTDGE-GHMZBOCLSA-N 2 2 248.330 0.440 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000535311841 323170321 /nfs/dbraw/zinc/17/03/21/323170321.db2.gz AKBLYHGPZUTDGE-GHMZBOCLSA-N 2 2 248.330 0.440 20 0 BCADLP CC(C)OC(=O)CC[N@H+](C)[C@H]1CC[NH2+]C1 ZINC000563887741 323183255 /nfs/dbraw/zinc/18/32/55/323183255.db2.gz PLZPARLQRHJMJH-JTQLQIEISA-N 2 2 214.309 0.622 20 0 BCADLP CC(C)OC(=O)CC[N@@H+](C)[C@H]1CC[NH2+]C1 ZINC000563887741 323183256 /nfs/dbraw/zinc/18/32/56/323183256.db2.gz PLZPARLQRHJMJH-JTQLQIEISA-N 2 2 214.309 0.622 20 0 BCADLP CC[NH+]1CCC([NH2+]C[C@H]2COCCN2)CC1 ZINC000530181418 323205551 /nfs/dbraw/zinc/20/55/51/323205551.db2.gz JSCGXTYKRZNMCL-LBPRGKRZSA-N 2 2 227.352 0.049 20 0 BCADLP CC[NH+]1CCC(NC[C@H]2COCC[NH2+]2)CC1 ZINC000530181418 323205552 /nfs/dbraw/zinc/20/55/52/323205552.db2.gz JSCGXTYKRZNMCL-LBPRGKRZSA-N 2 2 227.352 0.049 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC000532501062 323271681 /nfs/dbraw/zinc/27/16/81/323271681.db2.gz YMNVZAUTENBENZ-AGIUHOORSA-N 2 2 242.363 0.722 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC000532501062 323271684 /nfs/dbraw/zinc/27/16/84/323271684.db2.gz YMNVZAUTENBENZ-AGIUHOORSA-N 2 2 242.363 0.722 20 0 BCADLP [NH3+]CCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000563943910 323329252 /nfs/dbraw/zinc/32/92/52/323329252.db2.gz KSRJDZOQLSCUEL-UHFFFAOYSA-N 2 2 233.275 0.805 20 0 BCADLP C[C@H](O)C[NH2+]Cc1ccn2cc[nH+]c2c1 ZINC000572029005 323526507 /nfs/dbraw/zinc/52/65/07/323526507.db2.gz MYGHHQULIRGAKQ-VIFPVBQESA-N 2 2 205.261 0.805 20 0 BCADLP CCn1ncc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000530213507 324529356 /nfs/dbraw/zinc/52/93/56/324529356.db2.gz WGLIERNLQPXFJR-ZJUUUORDSA-N 2 2 223.324 0.658 20 0 BCADLP [NH3+]C1(C(=O)NCCc2[nH]cc[nH+]2)CCCC1 ZINC000158544868 487964925 /nfs/dbraw/zinc/96/49/25/487964925.db2.gz GTGQPMCYVYOTTB-UHFFFAOYSA-N 2 2 222.292 0.340 20 0 BCADLP CC(C)([NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000083913178 487965079 /nfs/dbraw/zinc/96/50/79/487965079.db2.gz ITROZDHXSNVQKV-JTQLQIEISA-N 2 2 248.330 0.514 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC000072859514 325178759 /nfs/dbraw/zinc/17/87/59/325178759.db2.gz HPJGRALYUCVBJG-NWDGAFQWSA-N 2 2 239.363 0.491 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC000072859514 325178760 /nfs/dbraw/zinc/17/87/60/325178760.db2.gz HPJGRALYUCVBJG-NWDGAFQWSA-N 2 2 239.363 0.491 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000072859514 325178761 /nfs/dbraw/zinc/17/87/61/325178761.db2.gz HPJGRALYUCVBJG-NWDGAFQWSA-N 2 2 239.363 0.491 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000072859514 325178763 /nfs/dbraw/zinc/17/87/63/325178763.db2.gz HPJGRALYUCVBJG-NWDGAFQWSA-N 2 2 239.363 0.491 20 0 BCADLP Cc1cc(NC(=O)N(C)C2C[NH2+]C2)c(C)c[nH+]1 ZINC000667301927 487969034 /nfs/dbraw/zinc/96/90/34/487969034.db2.gz MMNVWAUUVLSPHB-UHFFFAOYSA-N 2 2 234.303 0.556 20 0 BCADLP C[C@H](CC(=O)NC[C@H](C)[NH+](C)C)n1cc[nH+]c1 ZINC000565665487 325940925 /nfs/dbraw/zinc/94/09/25/325940925.db2.gz RTLLPTHYXAQVTR-MNOVXSKESA-N 2 2 238.335 0.901 20 0 BCADLP CN(C)c1nccc(C[NH2+]CC[C@H]2CCC[NH2+]2)n1 ZINC000565705206 325945997 /nfs/dbraw/zinc/94/59/97/325945997.db2.gz PNQFPZNPKKAMKM-LLVKDONJSA-N 2 2 249.362 0.774 20 0 BCADLP CSC[C@H](O)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000566121400 325998601 /nfs/dbraw/zinc/99/86/01/325998601.db2.gz FTLMNQZFJUTTBK-SNVBAGLBSA-N 2 2 229.349 0.276 20 0 BCADLP CC[C@@H]1C[N@H+](C)CCN1CCc1c[nH+]cn1C ZINC000566138948 326001799 /nfs/dbraw/zinc/00/17/99/326001799.db2.gz UTAFHOOQLICTCA-GFCCVEGCSA-N 2 2 236.363 0.989 20 0 BCADLP CC[C@@H]1C[N@@H+](C)CCN1CCc1c[nH+]cn1C ZINC000566138948 326001802 /nfs/dbraw/zinc/00/18/02/326001802.db2.gz UTAFHOOQLICTCA-GFCCVEGCSA-N 2 2 236.363 0.989 20 0 BCADLP CO[C@@H]1COC[C@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000566245434 326022405 /nfs/dbraw/zinc/02/24/05/326022405.db2.gz SCYLLHNDEXJXEF-LMLFDSFASA-N 2 2 214.309 0.130 20 0 BCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nc(C2CC2)nn1C ZINC000566244469 326022623 /nfs/dbraw/zinc/02/26/23/326022623.db2.gz XFAYGMLQGQSNOV-ZJUUUORDSA-N 2 2 249.362 0.862 20 0 BCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nc(C2CC2)nn1C ZINC000566244469 326022625 /nfs/dbraw/zinc/02/26/25/326022625.db2.gz XFAYGMLQGQSNOV-ZJUUUORDSA-N 2 2 249.362 0.862 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000566245387 326022871 /nfs/dbraw/zinc/02/28/71/326022871.db2.gz PBSIOPVWNFCFTI-GHMZBOCLSA-N 3 2 227.352 0.021 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000566245387 326022872 /nfs/dbraw/zinc/02/28/72/326022872.db2.gz PBSIOPVWNFCFTI-GHMZBOCLSA-N 3 2 227.352 0.021 20 0 BCADLP C[C@H]1CC[N@@H+](CC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000566452824 326050121 /nfs/dbraw/zinc/05/01/21/326050121.db2.gz PZVGQKKPNDBLKX-NSHDSACASA-N 2 2 248.330 0.567 20 0 BCADLP CCn1nncc1C[NH2+]CCC[NH+]1CCC1 ZINC000566474236 326053448 /nfs/dbraw/zinc/05/34/48/326053448.db2.gz FZZCHQAOHYTUAJ-UHFFFAOYSA-N 2 2 223.324 0.483 20 0 BCADLP C[C@@H](N1CC[NH+](CCC[NH3+])CC1)C(F)(F)F ZINC000566564319 326064902 /nfs/dbraw/zinc/06/49/02/326064902.db2.gz OBCAAVZKSKIJEA-SECBINFHSA-N 2 2 239.285 0.904 20 0 BCADLP C[N@@H+]1CCO[C@H](CSCCn2cc[nH+]c2)C1 ZINC000567166318 326127198 /nfs/dbraw/zinc/12/71/98/326127198.db2.gz ZEEFKXKSLNPXHA-NSHDSACASA-N 2 2 241.360 0.947 20 0 BCADLP C[N@H+]1CCO[C@H](CSCCn2cc[nH+]c2)C1 ZINC000567166318 326127200 /nfs/dbraw/zinc/12/72/00/326127200.db2.gz ZEEFKXKSLNPXHA-NSHDSACASA-N 2 2 241.360 0.947 20 0 BCADLP COC[C@@H](CCO)[NH2+]Cc1c[nH+]c(C)n1C ZINC000567522446 326209930 /nfs/dbraw/zinc/20/99/30/326209930.db2.gz QOWXCCYZYOZEHX-SNVBAGLBSA-N 2 2 227.308 0.216 20 0 BCADLP FCCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000567646057 326237689 /nfs/dbraw/zinc/23/76/89/326237689.db2.gz RQNOJUCILDIWGF-GHMZBOCLSA-N 2 2 216.300 0.703 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](CCCc2ccncc2)CCO1 ZINC000567736000 326253198 /nfs/dbraw/zinc/25/31/98/326253198.db2.gz ZCIXJTNNDQZPDN-ZDUSSCGKSA-N 2 2 235.331 0.674 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](CCCc2ccncc2)CCO1 ZINC000567736000 326253199 /nfs/dbraw/zinc/25/31/99/326253199.db2.gz ZCIXJTNNDQZPDN-ZDUSSCGKSA-N 2 2 235.331 0.674 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C(C)C)[C@@H]1CCOC1 ZINC000567910584 326281802 /nfs/dbraw/zinc/28/18/02/326281802.db2.gz CKVJZERHWGYNTK-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C(C)C)[C@@H]1CCOC1 ZINC000567910584 326281803 /nfs/dbraw/zinc/28/18/03/326281803.db2.gz CKVJZERHWGYNTK-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C(C)C)[C@@H]1CCOC1 ZINC000567910584 326281805 /nfs/dbraw/zinc/28/18/05/326281805.db2.gz CKVJZERHWGYNTK-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C(C)C)[C@@H]1CCOC1 ZINC000567910584 326281807 /nfs/dbraw/zinc/28/18/07/326281807.db2.gz CKVJZERHWGYNTK-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](C(C)C)[C@@H]1CCOC1 ZINC000567910585 326282088 /nfs/dbraw/zinc/28/20/88/326282088.db2.gz CKVJZERHWGYNTK-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CC[C@H]([NH3+])CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000568151581 326313675 /nfs/dbraw/zinc/31/36/75/326313675.db2.gz FUECMOYPWWZXJK-UWVGGRQHSA-N 2 2 224.308 0.688 20 0 BCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C[NH+](C)C ZINC000568211877 326327233 /nfs/dbraw/zinc/32/72/33/326327233.db2.gz MBPNFQRNTNFSAN-ZJUUUORDSA-N 2 2 238.335 0.655 20 0 BCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C[NH+](C)C ZINC000568211877 326327235 /nfs/dbraw/zinc/32/72/35/326327235.db2.gz MBPNFQRNTNFSAN-ZJUUUORDSA-N 2 2 238.335 0.655 20 0 BCADLP CCn1cc[nH+]c1CNC(=O)C[NH+](C)C ZINC000568229394 326329641 /nfs/dbraw/zinc/32/96/41/326329641.db2.gz YIKXQKWEYMKTPW-UHFFFAOYSA-N 2 2 210.281 0.081 20 0 BCADLP C[NH+]1CCC(CCO)([NH2+]CC2(F)CC2)CC1 ZINC000568239701 326332940 /nfs/dbraw/zinc/33/29/40/326332940.db2.gz QVWQEGGWQPHLFI-UHFFFAOYSA-N 2 2 230.327 0.925 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCN2CCOCC2)n1C ZINC000568273625 326338700 /nfs/dbraw/zinc/33/87/00/326338700.db2.gz VAJRYHNALMEMNE-UHFFFAOYSA-N 2 2 238.335 0.150 20 0 BCADLP COCCOCCC[NH2+]Cc1c[nH+]c(C)n1C ZINC000568273265 326339157 /nfs/dbraw/zinc/33/91/57/326339157.db2.gz OQEMFJQBTKKLFK-UHFFFAOYSA-N 2 2 241.335 0.871 20 0 BCADLP CC(C)[NH2+]CCC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000568381412 326351465 /nfs/dbraw/zinc/35/14/65/326351465.db2.gz JQXZRJDUXPJRGX-QWHCGFSZSA-N 3 2 243.395 0.731 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H]1C ZINC000568527296 326363299 /nfs/dbraw/zinc/36/32/99/326363299.db2.gz OVTJMZOTEWWXQF-MXWKQRLJSA-N 2 2 200.326 0.639 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H]1C ZINC000568527296 326363300 /nfs/dbraw/zinc/36/33/00/326363300.db2.gz OVTJMZOTEWWXQF-MXWKQRLJSA-N 2 2 200.326 0.639 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H]1C ZINC000568527296 326363301 /nfs/dbraw/zinc/36/33/01/326363301.db2.gz OVTJMZOTEWWXQF-MXWKQRLJSA-N 2 2 200.326 0.639 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@H]1C ZINC000568527296 326363302 /nfs/dbraw/zinc/36/33/02/326363302.db2.gz OVTJMZOTEWWXQF-MXWKQRLJSA-N 2 2 200.326 0.639 20 0 BCADLP C[C@@H](CC[NH3+])NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000568653798 326371343 /nfs/dbraw/zinc/37/13/43/326371343.db2.gz HVMVIAMHEIYTBO-QMMMGPOBSA-N 2 2 225.296 0.288 20 0 BCADLP C[C@@H](CC[NH3+])NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000568653798 326371345 /nfs/dbraw/zinc/37/13/45/326371345.db2.gz HVMVIAMHEIYTBO-QMMMGPOBSA-N 2 2 225.296 0.288 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000569095663 326389693 /nfs/dbraw/zinc/38/96/93/326389693.db2.gz VEONNEVHOQREBH-ZJUUUORDSA-N 2 2 245.348 0.294 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(C)(O)CC1 ZINC000310396479 487977734 /nfs/dbraw/zinc/97/77/34/487977734.db2.gz MDCNKTAGINPCSJ-GFCCVEGCSA-N 2 2 244.379 0.534 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(O)CC1 ZINC000310396479 487977740 /nfs/dbraw/zinc/97/77/40/487977740.db2.gz MDCNKTAGINPCSJ-GFCCVEGCSA-N 2 2 244.379 0.534 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCOCC2(CC2)C1 ZINC000653612440 487982308 /nfs/dbraw/zinc/98/23/08/487982308.db2.gz QBVOBXXSXCDNMI-GFCCVEGCSA-N 2 2 242.363 0.411 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCOCC2(CC2)C1 ZINC000653612440 487982312 /nfs/dbraw/zinc/98/23/12/487982312.db2.gz QBVOBXXSXCDNMI-GFCCVEGCSA-N 2 2 242.363 0.411 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCOCC2(CC2)C1 ZINC000653612440 487982317 /nfs/dbraw/zinc/98/23/17/487982317.db2.gz QBVOBXXSXCDNMI-GFCCVEGCSA-N 2 2 242.363 0.411 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCOCC2(CC2)C1 ZINC000653612440 487982321 /nfs/dbraw/zinc/98/23/21/487982321.db2.gz QBVOBXXSXCDNMI-GFCCVEGCSA-N 2 2 242.363 0.411 20 0 BCADLP C[N@@H+]1CCCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000665688668 487987553 /nfs/dbraw/zinc/98/75/53/487987553.db2.gz QFCUJYBPIYGDPO-UHFFFAOYSA-N 2 2 249.318 0.423 20 0 BCADLP C[N@H+]1CCCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000665688668 487987562 /nfs/dbraw/zinc/98/75/62/487987562.db2.gz QFCUJYBPIYGDPO-UHFFFAOYSA-N 2 2 249.318 0.423 20 0 BCADLP C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCC[NH3+] ZINC000123350072 487993681 /nfs/dbraw/zinc/99/36/81/487993681.db2.gz IDTYZWSXERUDPO-NWDGAFQWSA-N 2 2 241.379 0.962 20 0 BCADLP C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000123350072 487993688 /nfs/dbraw/zinc/99/36/88/487993688.db2.gz IDTYZWSXERUDPO-NWDGAFQWSA-N 2 2 241.379 0.962 20 0 BCADLP CC[N@@H+]1CCN(CC[NH+]2CCOCC2)C[C@H]1C ZINC000677192001 487996690 /nfs/dbraw/zinc/99/66/90/487996690.db2.gz OXPQEFGXBAKOTD-CYBMUJFWSA-N 2 2 241.379 0.345 20 0 BCADLP CC[N@H+]1CCN(CC[NH+]2CCOCC2)C[C@H]1C ZINC000677192001 487996695 /nfs/dbraw/zinc/99/66/95/487996695.db2.gz OXPQEFGXBAKOTD-CYBMUJFWSA-N 2 2 241.379 0.345 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000134866519 488002895 /nfs/dbraw/zinc/00/28/95/488002895.db2.gz HUFVFYDARYJDPP-QMMMGPOBSA-N 2 2 249.318 0.716 20 0 BCADLP CC[C@@H](O)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000229965279 488016520 /nfs/dbraw/zinc/01/65/20/488016520.db2.gz URKXJJFFWNAMCK-JFGNBEQYSA-N 2 2 212.337 0.972 20 0 BCADLP CC[C@@H](O)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000229965279 488016523 /nfs/dbraw/zinc/01/65/23/488016523.db2.gz URKXJJFFWNAMCK-JFGNBEQYSA-N 2 2 212.337 0.972 20 0 BCADLP C[N@H+](CCO)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667471522 488016772 /nfs/dbraw/zinc/01/67/72/488016772.db2.gz AZMJQQWRMOLQOS-UHFFFAOYSA-N 2 2 232.287 0.691 20 0 BCADLP C[N@@H+](CCO)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667471522 488016776 /nfs/dbraw/zinc/01/67/76/488016776.db2.gz AZMJQQWRMOLQOS-UHFFFAOYSA-N 2 2 232.287 0.691 20 0 BCADLP OC[C@H]1CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667494692 488027405 /nfs/dbraw/zinc/02/74/05/488027405.db2.gz HWKPQEXXSPCTCC-SNVBAGLBSA-N 2 2 221.304 0.786 20 0 BCADLP OC[C@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667494692 488027410 /nfs/dbraw/zinc/02/74/10/488027410.db2.gz HWKPQEXXSPCTCC-SNVBAGLBSA-N 2 2 221.304 0.786 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655447518 488036679 /nfs/dbraw/zinc/03/66/79/488036679.db2.gz ZGMALGKWJAXYJM-MFKMUULPSA-N 2 2 248.330 0.426 20 0 BCADLP COCC[N@H+](CCO)Cc1c[nH+]c(C)n1C ZINC000667590303 488053874 /nfs/dbraw/zinc/05/38/74/488053874.db2.gz RJSTXOSKCDQUIA-UHFFFAOYSA-N 2 2 227.308 0.169 20 0 BCADLP COCC[N@@H+](CCO)Cc1c[nH+]c(C)n1C ZINC000667590303 488053878 /nfs/dbraw/zinc/05/38/78/488053878.db2.gz RJSTXOSKCDQUIA-UHFFFAOYSA-N 2 2 227.308 0.169 20 0 BCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCCO1 ZINC000166089142 488054176 /nfs/dbraw/zinc/05/41/76/488054176.db2.gz WBNMYBCBMQGFOT-SRVKXCTJSA-N 2 2 228.336 0.522 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCC2(C1)CCOCC2 ZINC000310200877 488071210 /nfs/dbraw/zinc/07/12/10/488071210.db2.gz BOQDHPSVXFLNSE-GFCCVEGCSA-N 2 2 240.347 0.477 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCC2(C1)CCOCC2 ZINC000310200877 488071215 /nfs/dbraw/zinc/07/12/15/488071215.db2.gz BOQDHPSVXFLNSE-GFCCVEGCSA-N 2 2 240.347 0.477 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@](C)(O)C2)n1C ZINC000667688195 488087967 /nfs/dbraw/zinc/08/79/67/488087967.db2.gz IPVDUAVIDNVQJJ-LLVKDONJSA-N 2 2 209.293 0.685 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@@](C)(O)C2)n1C ZINC000667688195 488087971 /nfs/dbraw/zinc/08/79/71/488087971.db2.gz IPVDUAVIDNVQJJ-LLVKDONJSA-N 2 2 209.293 0.685 20 0 BCADLP c1[nH+]c2n(c1CN1C[C@H]3C[NH2+]C[C@@H]3C1)CCC2 ZINC000667712456 488097373 /nfs/dbraw/zinc/09/73/73/488097373.db2.gz GRMUYEOKTOMAPK-GHMZBOCLSA-N 2 2 232.331 0.481 20 0 BCADLP c1nc2n(c1C[NH+]1C[C@H]3C[NH2+]C[C@@H]3C1)CCC2 ZINC000667712456 488097381 /nfs/dbraw/zinc/09/73/81/488097381.db2.gz GRMUYEOKTOMAPK-GHMZBOCLSA-N 2 2 232.331 0.481 20 0 BCADLP CCCn1nccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000160245085 488117494 /nfs/dbraw/zinc/11/74/94/488117494.db2.gz APSPKPDJKPSFEP-TXEJJXNPSA-N 2 2 234.347 0.944 20 0 BCADLP CCCn1nccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000160245085 488117498 /nfs/dbraw/zinc/11/74/98/488117498.db2.gz APSPKPDJKPSFEP-TXEJJXNPSA-N 2 2 234.347 0.944 20 0 BCADLP COc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000677818424 488133286 /nfs/dbraw/zinc/13/32/86/488133286.db2.gz MUCGJRUZQZHABL-TXEJJXNPSA-N 2 2 233.315 0.741 20 0 BCADLP COc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000677818424 488133291 /nfs/dbraw/zinc/13/32/91/488133291.db2.gz MUCGJRUZQZHABL-TXEJJXNPSA-N 2 2 233.315 0.741 20 0 BCADLP CC(C)C[C@H](C)C[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662288961 487538915 /nfs/dbraw/zinc/53/89/15/487538915.db2.gz WDBHTVLPFSNDIY-RYUDHWBXSA-N 2 2 232.368 0.283 20 0 BCADLP CC(C)C[C@H](C)C[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662288961 487538916 /nfs/dbraw/zinc/53/89/16/487538916.db2.gz WDBHTVLPFSNDIY-RYUDHWBXSA-N 2 2 232.368 0.283 20 0 BCADLP Nc1cc(C[N@@H+]2CCC[C@@]23CCNC3=O)cc[nH+]1 ZINC000653716816 487540461 /nfs/dbraw/zinc/54/04/61/487540461.db2.gz QPJAJCWEPRLUKX-ZDUSSCGKSA-N 2 2 246.314 0.518 20 0 BCADLP Nc1cc(C[N@H+]2CCC[C@@]23CCNC3=O)cc[nH+]1 ZINC000653716816 487540466 /nfs/dbraw/zinc/54/04/66/487540466.db2.gz QPJAJCWEPRLUKX-ZDUSSCGKSA-N 2 2 246.314 0.518 20 0 BCADLP C[C@@H]1C[C@H](C)[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000685580564 487548986 /nfs/dbraw/zinc/54/89/86/487548986.db2.gz RLXWSMMBSFLWLW-JFGNBEQYSA-N 2 2 212.337 0.924 20 0 BCADLP C[C@@H]1C[C@H](C)[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000685580564 487548990 /nfs/dbraw/zinc/54/89/90/487548990.db2.gz RLXWSMMBSFLWLW-JFGNBEQYSA-N 2 2 212.337 0.924 20 0 BCADLP C[C@@H]1C[C@H](C)[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000685580564 487548996 /nfs/dbraw/zinc/54/89/96/487548996.db2.gz RLXWSMMBSFLWLW-JFGNBEQYSA-N 2 2 212.337 0.924 20 0 BCADLP C[C@@H]1C[C@H](C)[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000685580564 487549002 /nfs/dbraw/zinc/54/90/02/487549002.db2.gz RLXWSMMBSFLWLW-JFGNBEQYSA-N 2 2 212.337 0.924 20 0 BCADLP C[C@@H](C(=O)NCC[NH+]1CCSCC1)[NH+](C)C ZINC000674289783 487551849 /nfs/dbraw/zinc/55/18/49/487551849.db2.gz RVKMNVWUTTTWGY-JTQLQIEISA-N 2 2 245.392 0.102 20 0 BCADLP CCc1nn(C)cc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000167855972 487472957 /nfs/dbraw/zinc/47/29/57/487472957.db2.gz RYYQTPNLOHRDFT-NSHDSACASA-N 2 2 222.336 0.824 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C2CCC1CC2 ZINC000399362267 487475542 /nfs/dbraw/zinc/47/55/42/487475542.db2.gz GTYXKFQOOJSVLY-WXRRBKDZSA-N 2 2 242.363 0.552 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C2CCC1CC2 ZINC000399362267 487475547 /nfs/dbraw/zinc/47/55/47/487475547.db2.gz GTYXKFQOOJSVLY-WXRRBKDZSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H](O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000685000531 487488037 /nfs/dbraw/zinc/48/80/37/487488037.db2.gz RILRDZBKYUREBB-MNOVXSKESA-N 2 2 209.293 0.901 20 0 BCADLP C[C@@H](O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000685000531 487488039 /nfs/dbraw/zinc/48/80/39/487488039.db2.gz RILRDZBKYUREBB-MNOVXSKESA-N 2 2 209.293 0.901 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334183680 487496296 /nfs/dbraw/zinc/49/62/96/487496296.db2.gz DZCLRAXCJXHCDT-CYBMUJFWSA-N 2 2 239.363 0.587 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334183680 487496298 /nfs/dbraw/zinc/49/62/98/487496298.db2.gz DZCLRAXCJXHCDT-CYBMUJFWSA-N 2 2 239.363 0.587 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@H+](C)CCC[NH3+] ZINC000019834727 487501357 /nfs/dbraw/zinc/50/13/57/487501357.db2.gz ULMKPAKPJOSYDR-SECBINFHSA-N 2 2 201.314 0.182 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000019834727 487501360 /nfs/dbraw/zinc/50/13/60/487501360.db2.gz ULMKPAKPJOSYDR-SECBINFHSA-N 2 2 201.314 0.182 20 0 BCADLP C[N@H+](CCC[NH3+])CC(=O)NC1CCCCC1 ZINC000019834789 487501435 /nfs/dbraw/zinc/50/14/35/487501435.db2.gz CZGBHYYAESDTGZ-UHFFFAOYSA-N 2 2 227.352 0.716 20 0 BCADLP C[N@@H+](CCC[NH3+])CC(=O)NC1CCCCC1 ZINC000019834789 487501440 /nfs/dbraw/zinc/50/14/40/487501440.db2.gz CZGBHYYAESDTGZ-UHFFFAOYSA-N 2 2 227.352 0.716 20 0 BCADLP C[C@@H](O)C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000666123535 487508507 /nfs/dbraw/zinc/50/85/07/487508507.db2.gz GPMVUYKOUWNGBX-WOPDTQHZSA-N 2 2 230.352 0.456 20 0 BCADLP CCN1CC[C@H]([NH2+]C2CC[NH+](CC)CC2)C1=O ZINC000670160424 487518122 /nfs/dbraw/zinc/51/81/22/487518122.db2.gz RQGHARCJKRKYPZ-LBPRGKRZSA-N 2 2 239.363 0.681 20 0 BCADLP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1(C[NH3+])CCC1 ZINC000662274101 487522592 /nfs/dbraw/zinc/52/25/92/487522592.db2.gz REYKAOPOEKSAST-LLVKDONJSA-N 3 2 239.363 0.321 20 0 BCADLP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1(C[NH3+])CCC1 ZINC000662274101 487522597 /nfs/dbraw/zinc/52/25/97/487522597.db2.gz REYKAOPOEKSAST-LLVKDONJSA-N 3 2 239.363 0.321 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000393920198 490041088 /nfs/dbraw/zinc/04/10/88/490041088.db2.gz GBKALCBABQXHDR-ZJUUUORDSA-N 2 2 213.325 0.324 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000393920198 490041091 /nfs/dbraw/zinc/04/10/91/490041091.db2.gz GBKALCBABQXHDR-ZJUUUORDSA-N 2 2 213.325 0.324 20 0 BCADLP Cn1ncnc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000088572064 487733781 /nfs/dbraw/zinc/73/37/81/487733781.db2.gz JXYLQDPBKILLKR-JTQLQIEISA-N 2 2 235.335 0.389 20 0 BCADLP Cn1ncnc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000088572064 487733785 /nfs/dbraw/zinc/73/37/85/487733785.db2.gz JXYLQDPBKILLKR-JTQLQIEISA-N 2 2 235.335 0.389 20 0 BCADLP CCCCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000668164630 487856550 /nfs/dbraw/zinc/85/65/50/487856550.db2.gz WTCBCTDIGGUHTG-LLVKDONJSA-N 2 2 242.367 0.461 20 0 BCADLP CCCCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000668164630 487856556 /nfs/dbraw/zinc/85/65/56/487856556.db2.gz WTCBCTDIGGUHTG-LLVKDONJSA-N 2 2 242.367 0.461 20 0 BCADLP Nc1ccc(CNc2[nH+]cnc3[nH]ccc32)c[nH+]1 ZINC000444839535 487966344 /nfs/dbraw/zinc/96/63/44/487966344.db2.gz RROXEGLNBIZKGG-UHFFFAOYSA-N 2 2 240.270 0.969 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+][C@@H]1CCCN(C)C1=O ZINC000662275784 490046082 /nfs/dbraw/zinc/04/60/82/490046082.db2.gz DTXVAJLTCWJTSE-KKOKHZNYSA-N 2 2 239.363 0.583 20 0 BCADLP Cn1nccc1CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000230775490 488157073 /nfs/dbraw/zinc/15/70/73/488157073.db2.gz SVUTXCRQGXOHBW-NEPJUHHUSA-N 2 2 234.347 0.789 20 0 BCADLP Cn1nccc1CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000230775490 488157078 /nfs/dbraw/zinc/15/70/78/488157078.db2.gz SVUTXCRQGXOHBW-NEPJUHHUSA-N 2 2 234.347 0.789 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)n1C ZINC000668012164 488183970 /nfs/dbraw/zinc/18/39/70/488183970.db2.gz UMQVWOFARKCNBW-CABZTGNLSA-N 2 2 223.320 0.931 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)n1C ZINC000668012164 488183975 /nfs/dbraw/zinc/18/39/75/488183975.db2.gz UMQVWOFARKCNBW-CABZTGNLSA-N 2 2 223.320 0.931 20 0 BCADLP COCCC[N@H+](CCO)Cc1c[nH+]c(C)n1C ZINC000668031657 488190695 /nfs/dbraw/zinc/19/06/95/488190695.db2.gz BNHXHVSLKFSCBW-UHFFFAOYSA-N 2 2 241.335 0.559 20 0 BCADLP COCCC[N@@H+](CCO)Cc1c[nH+]c(C)n1C ZINC000668031657 488190698 /nfs/dbraw/zinc/19/06/98/488190698.db2.gz BNHXHVSLKFSCBW-UHFFFAOYSA-N 2 2 241.335 0.559 20 0 BCADLP CO[C@H](C)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000299893510 488193236 /nfs/dbraw/zinc/19/32/36/488193236.db2.gz LYTFZAUGFMREEX-MXWKQRLJSA-N 2 2 216.325 0.378 20 0 BCADLP C[N@H+]1C[C@@H]2C[NH+](Cc3cnn4c3CCC4)C[C@@H]2C1 ZINC000668077200 488198067 /nfs/dbraw/zinc/19/80/67/488198067.db2.gz HSORZRBMHCZYOX-BETUJISGSA-N 2 2 246.358 0.823 20 0 BCADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cnn4c3CCC4)C[C@@H]2C1 ZINC000668077200 488198072 /nfs/dbraw/zinc/19/80/72/488198072.db2.gz HSORZRBMHCZYOX-BETUJISGSA-N 2 2 246.358 0.823 20 0 BCADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cnn4c3CCC4)C[C@@H]2C1 ZINC000668077200 488198075 /nfs/dbraw/zinc/19/80/75/488198075.db2.gz HSORZRBMHCZYOX-BETUJISGSA-N 2 2 246.358 0.823 20 0 BCADLP C[NH+]1C[C@@H]2C[N@H+](Cc3cnn4c3CCC4)C[C@@H]2C1 ZINC000668077200 488198079 /nfs/dbraw/zinc/19/80/79/488198079.db2.gz HSORZRBMHCZYOX-BETUJISGSA-N 2 2 246.358 0.823 20 0 BCADLP C[C@@]1(C(N)=O)CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668097517 488203367 /nfs/dbraw/zinc/20/33/67/488203367.db2.gz LDMMHMSSQLVBQO-CYBMUJFWSA-N 2 2 248.330 0.527 20 0 BCADLP C[C@@]1(C(N)=O)CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668097517 488203371 /nfs/dbraw/zinc/20/33/71/488203371.db2.gz LDMMHMSSQLVBQO-CYBMUJFWSA-N 2 2 248.330 0.527 20 0 BCADLP C[C@@H]1C[C@@H](C)C[NH+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000043801985 488209537 /nfs/dbraw/zinc/20/95/37/488209537.db2.gz YNULJWRYWLOTNB-UTUOFQBUSA-N 2 2 212.337 0.953 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672152256 488241798 /nfs/dbraw/zinc/24/17/98/488241798.db2.gz IMFIICNVVNMWCA-CMPLNLGQSA-N 2 2 248.330 0.408 20 0 BCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672152256 488241800 /nfs/dbraw/zinc/24/18/00/488241800.db2.gz IMFIICNVVNMWCA-CMPLNLGQSA-N 2 2 248.330 0.408 20 0 BCADLP C[N@@H+]1CCC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000672770098 488265854 /nfs/dbraw/zinc/26/58/54/488265854.db2.gz VRENZBJXNJBLCZ-SNVBAGLBSA-N 2 2 236.319 0.553 20 0 BCADLP C[N@H+]1CCC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000672770098 488265856 /nfs/dbraw/zinc/26/58/56/488265856.db2.gz VRENZBJXNJBLCZ-SNVBAGLBSA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000673644808 488299675 /nfs/dbraw/zinc/29/96/75/488299675.db2.gz GXJPCMNIVBWYKL-NSHDSACASA-N 2 2 236.319 0.341 20 0 BCADLP CC[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000673644808 488299677 /nfs/dbraw/zinc/29/96/77/488299677.db2.gz GXJPCMNIVBWYKL-NSHDSACASA-N 2 2 236.319 0.341 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000673667392 488302301 /nfs/dbraw/zinc/30/23/01/488302301.db2.gz XAUUUJYTTBGFES-GFCCVEGCSA-N 2 2 248.330 0.484 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000673667392 488302306 /nfs/dbraw/zinc/30/23/06/488302306.db2.gz XAUUUJYTTBGFES-GFCCVEGCSA-N 2 2 248.330 0.484 20 0 BCADLP C[C@](O)(CO)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000684536519 488326819 /nfs/dbraw/zinc/32/68/19/488326819.db2.gz IWBHFDKRZBDPQT-GFCCVEGCSA-N 2 2 235.287 0.167 20 0 BCADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@](C)(O)CO)n2c1 ZINC000684537890 488326940 /nfs/dbraw/zinc/32/69/40/488326940.db2.gz GBNQGROFUHBBRE-ZDUSSCGKSA-N 2 2 249.314 0.476 20 0 BCADLP C[C@@H](C[NH3+])N(C)CCCc1c[nH+]cn1C ZINC000314698771 490092108 /nfs/dbraw/zinc/09/21/08/490092108.db2.gz DCAQFJNRENQTQS-JTQLQIEISA-N 2 2 210.325 0.632 20 0 BCADLP C[C@@H](CN)[N@H+](C)CCCc1c[nH+]cn1C ZINC000314698771 490092114 /nfs/dbraw/zinc/09/21/14/490092114.db2.gz DCAQFJNRENQTQS-JTQLQIEISA-N 2 2 210.325 0.632 20 0 BCADLP C[C@@H](CN)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000314698771 490092119 /nfs/dbraw/zinc/09/21/19/490092119.db2.gz DCAQFJNRENQTQS-JTQLQIEISA-N 2 2 210.325 0.632 20 0 BCADLP Cc1nc(NC[C@@H](C2CC2)[NH+](C)C)cc[nH+]1 ZINC000336776816 490101729 /nfs/dbraw/zinc/10/17/29/490101729.db2.gz GSSFNDZSMXWZTJ-NSHDSACASA-N 2 2 220.320 1.537 20 0 BCADLP CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129717881 490164599 /nfs/dbraw/zinc/16/45/99/490164599.db2.gz FVNILHOZGYAYNX-NXEZZACHSA-N 2 2 213.325 0.195 20 0 BCADLP CC(C)[C@](C)(O)C[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000185005445 490154404 /nfs/dbraw/zinc/15/44/04/490154404.db2.gz WXHWIVCTRUXBSA-CHWSQXEVSA-N 2 2 244.379 0.656 20 0 BCADLP CC(C)[C@](C)(O)C[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000185005445 490154408 /nfs/dbraw/zinc/15/44/08/490154408.db2.gz WXHWIVCTRUXBSA-CHWSQXEVSA-N 2 2 244.379 0.656 20 0 BCADLP C[N@@H+]1CCN(C(=O)Nc2ccccc2)[C@H](C[NH3+])C1 ZINC000122663639 490159427 /nfs/dbraw/zinc/15/94/27/490159427.db2.gz VWSRBULBGXPEAT-GFCCVEGCSA-N 2 2 248.330 0.793 20 0 BCADLP C[N@H+]1CCN(C(=O)Nc2ccccc2)[C@H](C[NH3+])C1 ZINC000122663639 490159429 /nfs/dbraw/zinc/15/94/29/490159429.db2.gz VWSRBULBGXPEAT-GFCCVEGCSA-N 2 2 248.330 0.793 20 0 BCADLP CCNC(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129717881 490164594 /nfs/dbraw/zinc/16/45/94/490164594.db2.gz FVNILHOZGYAYNX-NXEZZACHSA-N 2 2 213.325 0.195 20 0 BCADLP CCC(CC)(C[NH3+])C(=O)NCc1c[nH+]c[nH]1 ZINC000084080986 490365043 /nfs/dbraw/zinc/36/50/43/490365043.db2.gz GGJRVYZXVUYNPV-UHFFFAOYSA-N 2 2 224.308 0.791 20 0 BCADLP CCC(CC)(C[NH3+])C(=O)NCc1c[nH]c[nH+]1 ZINC000084080986 490365049 /nfs/dbraw/zinc/36/50/49/490365049.db2.gz GGJRVYZXVUYNPV-UHFFFAOYSA-N 2 2 224.308 0.791 20 0 BCADLP CCC[N@H+](C)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623267651 490415629 /nfs/dbraw/zinc/41/56/29/490415629.db2.gz XGKDEPUQXGTAAH-JTQLQIEISA-N 2 2 236.319 0.266 20 0 BCADLP CCC[N@@H+](C)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623267651 490415635 /nfs/dbraw/zinc/41/56/35/490415635.db2.gz XGKDEPUQXGTAAH-JTQLQIEISA-N 2 2 236.319 0.266 20 0 BCADLP C[C@@H](C[NH+](C)C)Nc1nc[nH+]c2c1OCCN2 ZINC000665719408 491087740 /nfs/dbraw/zinc/08/77/40/491087740.db2.gz WBGLWROPSPAIPT-QMMMGPOBSA-N 2 2 237.307 0.643 20 0 BCADLP C[N@H+](Cc1cccc(C(N)=O)c1)CC1C[NH+](C)C1 ZINC000668538684 491127227 /nfs/dbraw/zinc/12/72/27/491127227.db2.gz AARADVAQPLXDEJ-UHFFFAOYSA-N 2 2 247.342 0.779 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779176 491127532 /nfs/dbraw/zinc/12/75/32/491127532.db2.gz GFQOGFYPMXBRBY-PHIMTYICSA-N 2 2 221.304 0.541 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779176 491127533 /nfs/dbraw/zinc/12/75/33/491127533.db2.gz GFQOGFYPMXBRBY-PHIMTYICSA-N 2 2 221.304 0.541 20 0 BCADLP Fc1cncc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000230955241 491131062 /nfs/dbraw/zinc/13/10/62/491131062.db2.gz XBXLETBDQPYMRI-PHIMTYICSA-N 2 2 221.279 0.872 20 0 BCADLP Fc1cncc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000230955241 491131063 /nfs/dbraw/zinc/13/10/63/491131063.db2.gz XBXLETBDQPYMRI-PHIMTYICSA-N 2 2 221.279 0.872 20 0 BCADLP C[C@@H](Cn1cccn1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000134269251 491162630 /nfs/dbraw/zinc/16/26/30/491162630.db2.gz WSGZCMXVWPSGLY-RYUDHWBXSA-N 2 2 222.336 0.955 20 0 BCADLP C[C@@H](Cn1cccn1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000134269251 491162631 /nfs/dbraw/zinc/16/26/31/491162631.db2.gz WSGZCMXVWPSGLY-RYUDHWBXSA-N 2 2 222.336 0.955 20 0 BCADLP C[C@@H](C[NH+](C)C)NC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493261092 533728093 /nfs/dbraw/zinc/72/80/93/533728093.db2.gz JOUHRAKZASTQKZ-WBSSQXGSSA-N 2 2 222.292 0.489 20 0 BCADLP C[C@@H](C[NH+](C)C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492831804 533728386 /nfs/dbraw/zinc/72/83/86/533728386.db2.gz BSDVZGJGCFKPRP-WBSSQXGSSA-N 2 2 222.292 0.489 20 0 BCADLP COC(=O)N1CC([NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000496846678 533931890 /nfs/dbraw/zinc/93/18/90/533931890.db2.gz LYSUAAREPWYXHS-GXSJLCMTSA-N 2 2 241.335 0.557 20 0 BCADLP COC(=O)N1CC([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000496234740 533933258 /nfs/dbraw/zinc/93/32/58/533933258.db2.gz QGSUGDKTKASDDY-WDEREUQCSA-N 2 2 241.335 0.687 20 0 BCADLP C[C@@H]1C[C@H]1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000488422132 534028576 /nfs/dbraw/zinc/02/85/76/534028576.db2.gz YHTNYWIQKPEDEQ-GRYCIOLGSA-N 2 2 239.363 0.572 20 0 BCADLP C[C@@H]1C[C@H]1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000488422132 534028583 /nfs/dbraw/zinc/02/85/83/534028583.db2.gz YHTNYWIQKPEDEQ-GRYCIOLGSA-N 2 2 239.363 0.572 20 0 BCADLP CCn1c(C)nnc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351849065 535974886 /nfs/dbraw/zinc/97/48/86/535974886.db2.gz FJCNNUVLYZYJMR-MWLCHTKSSA-N 2 2 237.351 0.776 20 0 BCADLP CCn1c(C)nnc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351849065 535974893 /nfs/dbraw/zinc/97/48/93/535974893.db2.gz FJCNNUVLYZYJMR-MWLCHTKSSA-N 2 2 237.351 0.776 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCC(C)(C)[NH3+] ZINC000892034841 582766978 /nfs/dbraw/zinc/76/69/78/582766978.db2.gz VVPPGISNBNRVTB-UHFFFAOYSA-N 2 2 225.296 0.288 20 0 BCADLP O=C(/C=C/c1[nH]cc[nH+]1)N1CC[NH+](C2CC2)CC1 ZINC000493795678 534787361 /nfs/dbraw/zinc/78/73/61/534787361.db2.gz VIBVJWWAALCQSR-ONEGZZNKSA-N 2 2 246.314 0.730 20 0 BCADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC000334365817 536394129 /nfs/dbraw/zinc/39/41/29/536394129.db2.gz IEWYSUOCNPXDMI-NSHDSACASA-N 2 2 211.309 0.939 20 0 BCADLP CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400337165 527782084 /nfs/dbraw/zinc/78/20/84/527782084.db2.gz GIXBNAMZAOZCKH-OUAUKWLOSA-N 2 2 227.352 0.583 20 0 BCADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](CC)C(N)=O)C1 ZINC000174971272 527840604 /nfs/dbraw/zinc/84/06/04/527840604.db2.gz WCFKDCLJQNNMDY-RYUDHWBXSA-N 2 2 241.379 0.914 20 0 BCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](CC)C(N)=O)C1 ZINC000174971272 527840609 /nfs/dbraw/zinc/84/06/09/527840609.db2.gz WCFKDCLJQNNMDY-RYUDHWBXSA-N 2 2 241.379 0.914 20 0 BCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](CC)C(N)=O)C1 ZINC000174971272 527840610 /nfs/dbraw/zinc/84/06/10/527840610.db2.gz WCFKDCLJQNNMDY-RYUDHWBXSA-N 2 2 241.379 0.914 20 0 BCADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](CC)C(N)=O)C1 ZINC000174971272 527840617 /nfs/dbraw/zinc/84/06/17/527840617.db2.gz WCFKDCLJQNNMDY-RYUDHWBXSA-N 2 2 241.379 0.914 20 0 BCADLP CCOC(=O)N(C)C1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000496693629 528937304 /nfs/dbraw/zinc/93/73/04/528937304.db2.gz VNPOJTISFXZPNP-SNVBAGLBSA-N 2 2 243.351 0.886 20 0 BCADLP CCOC(=O)N[C@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000496102279 529105088 /nfs/dbraw/zinc/10/50/88/529105088.db2.gz JURCLGGEVDOTCW-JTQLQIEISA-N 2 2 243.351 0.934 20 0 BCADLP CCOC(=O)N[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000496102279 529105095 /nfs/dbraw/zinc/10/50/95/529105095.db2.gz JURCLGGEVDOTCW-JTQLQIEISA-N 2 2 243.351 0.934 20 0 BCADLP CC(C)N1CCC[C@@H]([N@@H+]2CCC[NH2+]CC2)C1=O ZINC000335342600 535167805 /nfs/dbraw/zinc/16/78/05/535167805.db2.gz XMXYYWIVKPJCPF-GFCCVEGCSA-N 2 2 239.363 0.681 20 0 BCADLP CC(C)N1CCC[C@@H]([N@H+]2CCC[NH2+]CC2)C1=O ZINC000335342600 535167808 /nfs/dbraw/zinc/16/78/08/535167808.db2.gz XMXYYWIVKPJCPF-GFCCVEGCSA-N 2 2 239.363 0.681 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000261564791 535199575 /nfs/dbraw/zinc/19/95/75/535199575.db2.gz CRSDKQGNMLESHV-GFCCVEGCSA-N 3 2 211.353 0.799 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000261564791 535199578 /nfs/dbraw/zinc/19/95/78/535199578.db2.gz CRSDKQGNMLESHV-GFCCVEGCSA-N 3 2 211.353 0.799 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261557146 535433959 /nfs/dbraw/zinc/43/39/59/535433959.db2.gz RIBPVMYAXAUXIV-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261557146 535433956 /nfs/dbraw/zinc/43/39/56/535433956.db2.gz RIBPVMYAXAUXIV-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261591077 535649108 /nfs/dbraw/zinc/64/91/08/535649108.db2.gz UYCPCTCYGFXXQQ-CMPLNLGQSA-N 2 2 228.336 0.999 20 0 BCADLP CCOC(=O)[C@H](CC)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261591077 535649110 /nfs/dbraw/zinc/64/91/10/535649110.db2.gz UYCPCTCYGFXXQQ-CMPLNLGQSA-N 2 2 228.336 0.999 20 0 BCADLP C[NH+](C)CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000345635898 535835480 /nfs/dbraw/zinc/83/54/80/535835480.db2.gz IVSFIBJWCDNNPZ-UHFFFAOYSA-N 2 2 224.308 0.410 20 0 BCADLP CCn1nccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261550302 535871485 /nfs/dbraw/zinc/87/14/85/535871485.db2.gz LEZUPBYJIZDJKM-RYUDHWBXSA-N 2 2 234.347 0.944 20 0 BCADLP CCn1nccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261550302 535871489 /nfs/dbraw/zinc/87/14/89/535871489.db2.gz LEZUPBYJIZDJKM-RYUDHWBXSA-N 2 2 234.347 0.944 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262072792 535965080 /nfs/dbraw/zinc/96/50/80/535965080.db2.gz SEZNIXLYYVDQGF-CHWSQXEVSA-N 3 2 225.380 0.870 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262072792 535965086 /nfs/dbraw/zinc/96/50/86/535965086.db2.gz SEZNIXLYYVDQGF-CHWSQXEVSA-N 3 2 225.380 0.870 20 0 BCADLP CN(CC[NH3+])Cc1[nH+]ccn1CC(F)(F)F ZINC000261588246 536368783 /nfs/dbraw/zinc/36/87/83/536368783.db2.gz SFOPDESDCXPOEE-UHFFFAOYSA-N 2 2 236.241 0.836 20 0 BCADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC000334365817 536394128 /nfs/dbraw/zinc/39/41/28/536394128.db2.gz IEWYSUOCNPXDMI-NSHDSACASA-N 2 2 211.309 0.939 20 0 BCADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(N)=O)C2)C1 ZINC000334365817 536394124 /nfs/dbraw/zinc/39/41/24/536394124.db2.gz IEWYSUOCNPXDMI-NSHDSACASA-N 2 2 211.309 0.939 20 0 BCADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(N)=O)C2)C1 ZINC000334365817 536394125 /nfs/dbraw/zinc/39/41/25/536394125.db2.gz IEWYSUOCNPXDMI-NSHDSACASA-N 2 2 211.309 0.939 20 0 BCADLP C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262141212 536410668 /nfs/dbraw/zinc/41/06/68/536410668.db2.gz ZEAHGYLJIHUUCQ-DTWKUNHWSA-N 2 2 247.289 0.194 20 0 BCADLP CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000261958375 536423693 /nfs/dbraw/zinc/42/36/93/536423693.db2.gz GWPRCAQZEDKQEE-ZWNOBZJWSA-N 2 2 247.342 0.825 20 0 BCADLP CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000261958375 536423694 /nfs/dbraw/zinc/42/36/94/536423694.db2.gz GWPRCAQZEDKQEE-ZWNOBZJWSA-N 2 2 247.342 0.825 20 0 BCADLP COC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000088091269 536472606 /nfs/dbraw/zinc/47/26/06/536472606.db2.gz RCEXYVMWIAVOGJ-MNOVXSKESA-N 2 2 226.320 0.576 20 0 BCADLP COC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000088091269 536472608 /nfs/dbraw/zinc/47/26/08/536472608.db2.gz RCEXYVMWIAVOGJ-MNOVXSKESA-N 2 2 226.320 0.576 20 0 BCADLP COC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000088091269 536472610 /nfs/dbraw/zinc/47/26/10/536472610.db2.gz RCEXYVMWIAVOGJ-MNOVXSKESA-N 2 2 226.320 0.576 20 0 BCADLP COC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000088091269 536472614 /nfs/dbraw/zinc/47/26/14/536472614.db2.gz RCEXYVMWIAVOGJ-MNOVXSKESA-N 2 2 226.320 0.576 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000291259093 566269123 /nfs/dbraw/zinc/26/91/23/566269123.db2.gz PJJJGWZFHQNTNX-LBPRGKRZSA-N 2 2 248.330 0.663 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000291259093 566269133 /nfs/dbraw/zinc/26/91/33/566269133.db2.gz PJJJGWZFHQNTNX-LBPRGKRZSA-N 2 2 248.330 0.663 20 0 BCADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1CCS(=O)CC1 ZINC000893356562 583121126 /nfs/dbraw/zinc/12/11/26/583121126.db2.gz MULYVFIJTGSFTK-OPGSHWCFSA-N 2 2 244.404 0.971 20 0 BCADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1CCS(=O)CC1 ZINC000893356562 583121127 /nfs/dbraw/zinc/12/11/27/583121127.db2.gz MULYVFIJTGSFTK-OPGSHWCFSA-N 2 2 244.404 0.971 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)c1ccccn1 ZINC000853099970 588719912 /nfs/dbraw/zinc/71/99/12/588719912.db2.gz WNLPASVCUQMCNZ-YPMHNXCESA-N 2 2 235.331 0.799 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)c1ccccn1 ZINC000853099970 588719913 /nfs/dbraw/zinc/71/99/13/588719913.db2.gz WNLPASVCUQMCNZ-YPMHNXCESA-N 2 2 235.331 0.799 20 0 BCADLP [NH3+]C[C@@H]1CCC[N@H+](C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000853246036 588728664 /nfs/dbraw/zinc/72/86/64/588728664.db2.gz QTFIQHRYQVMLHB-SDDRHHMPSA-N 3 2 209.337 0.267 20 0 BCADLP [NH3+]C[C@@H]1CCC[N@@H+](C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000853246036 588728665 /nfs/dbraw/zinc/72/86/65/588728665.db2.gz QTFIQHRYQVMLHB-SDDRHHMPSA-N 3 2 209.337 0.267 20 0 BCADLP CO[C@H](C)C(N)=[NH+]OCCc1c[nH+]cn1C ZINC000853673914 588754714 /nfs/dbraw/zinc/75/47/14/588754714.db2.gz LZYHVBMGRRKTDU-MRVPVSSYSA-N 2 2 226.280 0.496 20 0 BCADLP COC(=O)N(C)CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000854227770 588780863 /nfs/dbraw/zinc/78/08/63/588780863.db2.gz PPCSNBZWSNKBNE-ZJUUUORDSA-N 2 2 229.324 0.272 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)C1([NH+](C)C)CC1 ZINC000854498309 588789450 /nfs/dbraw/zinc/78/94/50/588789450.db2.gz CVPJDOANORUHBA-UHFFFAOYSA-N 2 2 222.292 0.131 20 0 BCADLP Cc1nonc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130865843 582595549 /nfs/dbraw/zinc/59/55/49/582595549.db2.gz QXJQPJNRWWJHDN-AXFHLTTASA-N 2 2 236.319 0.937 20 0 BCADLP Cc1nonc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130865843 582595551 /nfs/dbraw/zinc/59/55/51/582595551.db2.gz QXJQPJNRWWJHDN-AXFHLTTASA-N 2 2 236.319 0.937 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCc1[nH+]ccn1C ZINC000891506962 582693568 /nfs/dbraw/zinc/69/35/68/582693568.db2.gz NCVOBYUBSZIDPL-BDAKNGLRSA-N 2 2 237.307 0.051 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)Nc1cc[nH+]cc1CO ZINC000891783914 582720168 /nfs/dbraw/zinc/72/01/68/582720168.db2.gz PBJHUPWVFKVPKE-SNVBAGLBSA-N 2 2 232.287 0.693 20 0 BCADLP CN1CCN(C(=O)NCC[NH3+])Cc2ccc[nH+]c21 ZINC000891975786 582751812 /nfs/dbraw/zinc/75/18/12/582751812.db2.gz FPENBJFONOJZQM-UHFFFAOYSA-N 2 2 249.318 0.002 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000892005405 582759443 /nfs/dbraw/zinc/75/94/43/582759443.db2.gz OGZAUVZHNZCYNX-SECBINFHSA-N 2 2 237.307 0.303 20 0 BCADLP CN(C)c1[nH+]cc(C[N@H+](C)C2(CO)CC2)n1C ZINC000668798920 582905629 /nfs/dbraw/zinc/90/56/29/582905629.db2.gz TUCSFBXRHMLQBB-UHFFFAOYSA-N 2 2 238.335 0.443 20 0 BCADLP CN(C)c1[nH+]cc(C[N@@H+](C)C2(CO)CC2)n1C ZINC000668798920 582905632 /nfs/dbraw/zinc/90/56/32/582905632.db2.gz TUCSFBXRHMLQBB-UHFFFAOYSA-N 2 2 238.335 0.443 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)c1cc[nH+]cc1CO ZINC000892559897 582914461 /nfs/dbraw/zinc/91/44/61/582914461.db2.gz RDRIMFJRYROGPC-UHFFFAOYSA-N 2 2 218.260 0.933 20 0 BCADLP CC(=O)OC[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000892567302 582915615 /nfs/dbraw/zinc/91/56/15/582915615.db2.gz SBCHAPZSZJHDHH-UWVGGRQHSA-N 2 2 225.292 0.813 20 0 BCADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@H]2CNC(=O)C2)C1 ZINC000851841514 582970925 /nfs/dbraw/zinc/97/09/25/582970925.db2.gz UVWOHRCSAPXIRM-VXGBXAGGSA-N 2 2 239.363 0.585 20 0 BCADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@H]2CNC(=O)C2)C1 ZINC000851841514 582970927 /nfs/dbraw/zinc/97/09/27/582970927.db2.gz UVWOHRCSAPXIRM-VXGBXAGGSA-N 2 2 239.363 0.585 20 0 BCADLP O[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCCC2)C12CCC2 ZINC000852585605 583015436 /nfs/dbraw/zinc/01/54/36/583015436.db2.gz ILJGOMLVAKMUFG-VXGBXAGGSA-N 2 2 224.348 0.975 20 0 BCADLP Cc1cc(N)nc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)[nH+]1 ZINC000893077615 583043106 /nfs/dbraw/zinc/04/31/06/583043106.db2.gz BEEIQWFMHXHRSQ-UWVGGRQHSA-N 2 2 235.335 0.896 20 0 BCADLP Cc1cc(N)nc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)[nH+]1 ZINC000893077615 583043108 /nfs/dbraw/zinc/04/31/08/583043108.db2.gz BEEIQWFMHXHRSQ-UWVGGRQHSA-N 2 2 235.335 0.896 20 0 BCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H](C)[N@H+]1C ZINC000854664604 583089277 /nfs/dbraw/zinc/08/92/77/583089277.db2.gz YKVDJTWQPQPIAZ-AOOOYVTPSA-N 2 2 236.319 0.503 20 0 BCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H](C)[N@@H+]1C ZINC000854664604 583089278 /nfs/dbraw/zinc/08/92/78/583089278.db2.gz YKVDJTWQPQPIAZ-AOOOYVTPSA-N 2 2 236.319 0.503 20 0 BCADLP CC(=O)OC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000893354536 583120601 /nfs/dbraw/zinc/12/06/01/583120601.db2.gz NENZNMHDVGYZLU-WDEREUQCSA-N 2 2 228.336 0.869 20 0 BCADLP CC(=O)OC[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000893354536 583120603 /nfs/dbraw/zinc/12/06/03/583120603.db2.gz NENZNMHDVGYZLU-WDEREUQCSA-N 2 2 228.336 0.869 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CN2CCC2=O)C1 ZINC000857234441 583135776 /nfs/dbraw/zinc/13/57/76/583135776.db2.gz QSPOHHQSLATGRZ-SNVBAGLBSA-N 2 2 234.303 0.399 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CN2CCC2=O)C1 ZINC000857234441 583135777 /nfs/dbraw/zinc/13/57/77/583135777.db2.gz QSPOHHQSLATGRZ-SNVBAGLBSA-N 2 2 234.303 0.399 20 0 BCADLP CCn1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000857084417 588886496 /nfs/dbraw/zinc/88/64/96/588886496.db2.gz SBLMHZKKAGSMIT-UHTWSYAYSA-N 2 2 249.362 0.857 20 0 BCADLP CCn1ncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000857084417 588886497 /nfs/dbraw/zinc/88/64/97/588886497.db2.gz SBLMHZKKAGSMIT-UHTWSYAYSA-N 2 2 249.362 0.857 20 0 BCADLP CCn1ncc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000857084697 588886292 /nfs/dbraw/zinc/88/62/92/588886292.db2.gz XWOVINBMRGDXTD-WDEREUQCSA-N 2 2 237.351 0.857 20 0 BCADLP CCn1ncc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000857084697 588886294 /nfs/dbraw/zinc/88/62/94/588886294.db2.gz XWOVINBMRGDXTD-WDEREUQCSA-N 2 2 237.351 0.857 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@H+](CCO)CCCO ZINC000894021668 583274767 /nfs/dbraw/zinc/27/47/67/583274767.db2.gz PSZLHCJTSZNUGJ-UHFFFAOYSA-N 2 2 239.319 0.149 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@@H+](CCO)CCCO ZINC000894021668 583274768 /nfs/dbraw/zinc/27/47/68/583274768.db2.gz PSZLHCJTSZNUGJ-UHFFFAOYSA-N 2 2 239.319 0.149 20 0 BCADLP Cc1ncoc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000894098392 583303114 /nfs/dbraw/zinc/30/31/14/583303114.db2.gz ZVRCPYPYZVQUMM-UWVGGRQHSA-N 2 2 207.277 0.634 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cn1 ZINC000877743523 583345562 /nfs/dbraw/zinc/34/55/62/583345562.db2.gz KZJSKERULOOSEG-OLZOCXBDSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cn1 ZINC000877743523 583345565 /nfs/dbraw/zinc/34/55/65/583345565.db2.gz KZJSKERULOOSEG-OLZOCXBDSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cn1 ZINC000877743523 583345568 /nfs/dbraw/zinc/34/55/68/583345568.db2.gz KZJSKERULOOSEG-OLZOCXBDSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cn1 ZINC000877743523 583345571 /nfs/dbraw/zinc/34/55/71/583345571.db2.gz KZJSKERULOOSEG-OLZOCXBDSA-N 2 2 234.347 0.946 20 0 BCADLP C[N@@H+]1CCC[C@]2(CC[NH+](CN3CCC3=O)C2)C1 ZINC000857237838 588900969 /nfs/dbraw/zinc/90/09/69/588900969.db2.gz UZYURUNKOGHDAW-ZDUSSCGKSA-N 2 2 237.347 0.594 20 0 BCADLP C[N@H+]1CCC[C@]2(CC[NH+](CN3CCC3=O)C2)C1 ZINC000857237838 588900971 /nfs/dbraw/zinc/90/09/71/588900971.db2.gz UZYURUNKOGHDAW-ZDUSSCGKSA-N 2 2 237.347 0.594 20 0 BCADLP C[NH+]1CCC[C@]2(CC[N@H+](CN3CCC3=O)C2)C1 ZINC000857237838 588900972 /nfs/dbraw/zinc/90/09/72/588900972.db2.gz UZYURUNKOGHDAW-ZDUSSCGKSA-N 2 2 237.347 0.594 20 0 BCADLP C[NH+]1CCC[C@]2(CC[N@@H+](CN3CCC3=O)C2)C1 ZINC000857237838 588900974 /nfs/dbraw/zinc/90/09/74/588900974.db2.gz UZYURUNKOGHDAW-ZDUSSCGKSA-N 2 2 237.347 0.594 20 0 BCADLP Cc1cc[nH+]c(N)c1C[NH2+]CCC[S@@](C)=O ZINC000894283493 583409905 /nfs/dbraw/zinc/40/99/05/583409905.db2.gz GKMCMZMVPHMOMH-MRXNPFEDSA-N 2 2 241.360 0.830 20 0 BCADLP Cc1ncoc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000894354489 583434177 /nfs/dbraw/zinc/43/41/77/583434177.db2.gz LPIDRSVWHHPPGR-LLVKDONJSA-N 2 2 227.308 0.385 20 0 BCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCn1cncn1 ZINC000880131188 583470431 /nfs/dbraw/zinc/47/04/31/583470431.db2.gz HXYMUPHDNBXIPK-VXGBXAGGSA-N 2 2 235.335 0.447 20 0 BCADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCn1cncn1 ZINC000880131188 583470433 /nfs/dbraw/zinc/47/04/33/583470433.db2.gz HXYMUPHDNBXIPK-VXGBXAGGSA-N 2 2 235.335 0.447 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCn1cncn1 ZINC000880131188 583470435 /nfs/dbraw/zinc/47/04/35/583470435.db2.gz HXYMUPHDNBXIPK-VXGBXAGGSA-N 2 2 235.335 0.447 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCn1cncn1 ZINC000880131188 583470437 /nfs/dbraw/zinc/47/04/37/583470437.db2.gz HXYMUPHDNBXIPK-VXGBXAGGSA-N 2 2 235.335 0.447 20 0 BCADLP CNC(=O)CCC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880141440 583474451 /nfs/dbraw/zinc/47/44/51/583474451.db2.gz IMXODQIAWMGENI-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP CNC(=O)CCC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880141440 583474453 /nfs/dbraw/zinc/47/44/53/583474453.db2.gz IMXODQIAWMGENI-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP CN(Cc1c[nH+]c(N(C)C)n1C)Cc1[nH]cc[nH+]1 ZINC000894586412 583489787 /nfs/dbraw/zinc/48/97/87/583489787.db2.gz OQCAAWGJAKKOGM-UHFFFAOYSA-N 2 2 248.334 0.841 20 0 BCADLP C[C@@H](CCO)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000894674469 583505138 /nfs/dbraw/zinc/50/51/38/583505138.db2.gz XVBVMZJMJYFGGW-RYUDHWBXSA-N 2 2 230.352 0.194 20 0 BCADLP C[C@@H](CCO)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000894674469 583505140 /nfs/dbraw/zinc/50/51/40/583505140.db2.gz XVBVMZJMJYFGGW-RYUDHWBXSA-N 2 2 230.352 0.194 20 0 BCADLP CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1c[nH+]c[nH]1 ZINC000894691633 583507942 /nfs/dbraw/zinc/50/79/42/583507942.db2.gz ZQJNGSIRFQSKLY-KOLCDFICSA-N 2 2 241.335 0.657 20 0 BCADLP O[C@@H]1CC[N@H+](CCNc2nccn3c[nH+]cc23)C1 ZINC000894782712 583521017 /nfs/dbraw/zinc/52/10/17/583521017.db2.gz YOSCGIMKZWGBEO-SNVBAGLBSA-N 2 2 247.302 0.208 20 0 BCADLP O[C@@H]1CC[N@@H+](CCNc2nccn3c[nH+]cc23)C1 ZINC000894782712 583521020 /nfs/dbraw/zinc/52/10/20/583521020.db2.gz YOSCGIMKZWGBEO-SNVBAGLBSA-N 2 2 247.302 0.208 20 0 BCADLP C[NH2+]CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000857846065 588912052 /nfs/dbraw/zinc/91/20/52/588912052.db2.gz WIEGWOZZXRXHDC-JTQLQIEISA-N 2 2 236.319 0.123 20 0 BCADLP CCCN1C[C@@H](C[NH2+]Cc2c[nH+]c[nH]2)CC1=O ZINC000895031226 583571284 /nfs/dbraw/zinc/57/12/84/583571284.db2.gz NHAJMPKZRGPGJI-SNVBAGLBSA-N 2 2 236.319 0.758 20 0 BCADLP CC(C)(C[NH2+]Cc1c[nH+]c[nH]1)[C@]1(O)CCOC1 ZINC000895084728 583583984 /nfs/dbraw/zinc/58/39/84/583583984.db2.gz GWVUYHJEFPMLLB-LBPRGKRZSA-N 2 2 239.319 0.677 20 0 BCADLP C[NH+]1CCC([NH2+][C@@H]2C(=O)NCC2(C)C)CC1 ZINC000895317187 583648581 /nfs/dbraw/zinc/64/85/81/583648581.db2.gz VDDMFJSWPFDTSH-SNVBAGLBSA-N 2 2 225.336 0.195 20 0 BCADLP COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c[nH+]c[nH]1 ZINC000895456048 583676972 /nfs/dbraw/zinc/67/69/72/583676972.db2.gz AQIXQUZRHGZFQK-PSASIEDQSA-N 2 2 239.275 0.077 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000895608307 583695216 /nfs/dbraw/zinc/69/52/16/583695216.db2.gz JMWGHEHALYUEEM-NSHDSACASA-N 2 2 248.330 0.704 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000895608307 583695218 /nfs/dbraw/zinc/69/52/18/583695218.db2.gz JMWGHEHALYUEEM-NSHDSACASA-N 2 2 248.330 0.704 20 0 BCADLP OC[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1c[nH+]c[nH]1 ZINC000895746128 583716596 /nfs/dbraw/zinc/71/65/96/583716596.db2.gz CDLPCTJMESUERF-KOLCDFICSA-N 2 2 225.292 0.429 20 0 BCADLP COCC1C[NH+](Cc2c[nH+]c3n2CCC3)C1 ZINC000895974213 583756839 /nfs/dbraw/zinc/75/68/39/583756839.db2.gz AQEFQIJAFGRFEA-UHFFFAOYSA-N 2 2 221.304 0.908 20 0 BCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857979546 588927323 /nfs/dbraw/zinc/92/73/23/588927323.db2.gz CWASPWAEQXVEAA-WDEREUQCSA-N 2 2 248.330 0.928 20 0 BCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857979546 588927325 /nfs/dbraw/zinc/92/73/25/588927325.db2.gz CWASPWAEQXVEAA-WDEREUQCSA-N 2 2 248.330 0.928 20 0 BCADLP Cc1c[nH+]c2c(c1)N(C(=O)C[NH+](C)C)CCN2 ZINC000857998817 588930516 /nfs/dbraw/zinc/93/05/16/588930516.db2.gz ZILIOXAXFZPLIV-UHFFFAOYSA-N 2 2 234.303 0.710 20 0 BCADLP CC(=O)OC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000896552716 583810878 /nfs/dbraw/zinc/81/08/78/583810878.db2.gz HHCFZNUVYUKUKT-ATZCPNFKSA-N 2 2 214.309 0.620 20 0 BCADLP CC(=O)OC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000896552716 583810880 /nfs/dbraw/zinc/81/08/80/583810880.db2.gz HHCFZNUVYUKUKT-ATZCPNFKSA-N 2 2 214.309 0.620 20 0 BCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccnc(F)c1 ZINC000858153741 588935865 /nfs/dbraw/zinc/93/58/65/588935865.db2.gz SBSOGOUHSFBEBI-GFCCVEGCSA-N 2 2 241.310 0.623 20 0 BCADLP C[C@H]1C[C@@H]1NC(=[NH2+])NCc1c[nH+]cn1C ZINC000864467387 584008670 /nfs/dbraw/zinc/00/86/70/584008670.db2.gz SKFDHXPKUBVIJJ-CBAPKCEASA-N 2 2 207.281 0.442 20 0 BCADLP Cn1c[nH+]c(CCNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000897952597 584063588 /nfs/dbraw/zinc/06/35/88/584063588.db2.gz KARJMULFUUBXMO-LLVKDONJSA-N 2 2 236.319 0.173 20 0 BCADLP Cn1c[nH+]c(CCNC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC000897952597 584063589 /nfs/dbraw/zinc/06/35/89/584063589.db2.gz KARJMULFUUBXMO-LLVKDONJSA-N 2 2 236.319 0.173 20 0 BCADLP [NH3+]CC[N@H+](CCO)Cc1ccc2cnccc2c1 ZINC000841059555 584126246 /nfs/dbraw/zinc/12/62/46/584126246.db2.gz UKIXBGLFBGOQHY-UHFFFAOYSA-N 2 2 245.326 0.988 20 0 BCADLP [NH3+]CC[N@@H+](CCO)Cc1ccc2cnccc2c1 ZINC000841059555 584126247 /nfs/dbraw/zinc/12/62/47/584126247.db2.gz UKIXBGLFBGOQHY-UHFFFAOYSA-N 2 2 245.326 0.988 20 0 BCADLP C[C@@H](C[NH3+])[NH2+]Cc1cnc2ccccn12 ZINC000841063799 584127065 /nfs/dbraw/zinc/12/70/65/584127065.db2.gz PJRIJVZVXRSODD-VIFPVBQESA-N 2 2 204.277 0.771 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@]13C[C@@H]1C[NH2+]C3)C2 ZINC000873229003 584127385 /nfs/dbraw/zinc/12/73/85/584127385.db2.gz NCPIPXJECHHEHM-XQHKEYJVSA-N 3 2 221.348 0.137 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@]13C[C@@H]1C[NH2+]C3)C2 ZINC000873229003 584127387 /nfs/dbraw/zinc/12/73/87/584127387.db2.gz NCPIPXJECHHEHM-XQHKEYJVSA-N 3 2 221.348 0.137 20 0 BCADLP O[C@H](C[NH2+]CCCn1cc[nH+]c1)C1(O)CCC1 ZINC000899856489 584243938 /nfs/dbraw/zinc/24/39/38/584243938.db2.gz USUJXBSVUJIGAO-LLVKDONJSA-N 2 2 239.319 0.139 20 0 BCADLP CON(C)C(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000858580040 588968749 /nfs/dbraw/zinc/96/87/49/588968749.db2.gz VVVCLZBORGFMBM-VWYCJHECSA-N 2 2 243.351 0.467 20 0 BCADLP CON(C)C(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000858580040 588968751 /nfs/dbraw/zinc/96/87/51/588968751.db2.gz VVVCLZBORGFMBM-VWYCJHECSA-N 2 2 243.351 0.467 20 0 BCADLP CC[NH+](CC)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000899904568 584251523 /nfs/dbraw/zinc/25/15/23/584251523.db2.gz OINLQSFUYORGIL-UHFFFAOYSA-N 2 2 224.308 0.410 20 0 BCADLP CC[NH+](CC)CCNC(=O)Cc1c[nH+]c[nH]1 ZINC000899904568 584251527 /nfs/dbraw/zinc/25/15/27/584251527.db2.gz OINLQSFUYORGIL-UHFFFAOYSA-N 2 2 224.308 0.410 20 0 BCADLP O=C(Cc1c[nH+]c[nH]1)NCC[NH+]1CCCC1 ZINC000900011211 584266297 /nfs/dbraw/zinc/26/62/97/584266297.db2.gz OGXUYCPSSSIDKR-UHFFFAOYSA-N 2 2 222.292 0.164 20 0 BCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH+]1CCCC1 ZINC000900011211 584266298 /nfs/dbraw/zinc/26/62/98/584266298.db2.gz OGXUYCPSSSIDKR-UHFFFAOYSA-N 2 2 222.292 0.164 20 0 BCADLP C[N@@H+]1CC[C@@H](CNC(=O)CNc2cccc[nH+]2)C1 ZINC000900305570 584293424 /nfs/dbraw/zinc/29/34/24/584293424.db2.gz JXDXUFPFYVVPHS-NSHDSACASA-N 2 2 248.330 0.561 20 0 BCADLP C[N@H+]1CC[C@@H](CNC(=O)CNc2cccc[nH+]2)C1 ZINC000900305570 584293425 /nfs/dbraw/zinc/29/34/25/584293425.db2.gz JXDXUFPFYVVPHS-NSHDSACASA-N 2 2 248.330 0.561 20 0 BCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)C1CC1 ZINC000900543661 584324290 /nfs/dbraw/zinc/32/42/90/584324290.db2.gz PEYDGKZPPMMLHT-SECBINFHSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)C1CC1 ZINC000900543661 584324293 /nfs/dbraw/zinc/32/42/93/584324293.db2.gz PEYDGKZPPMMLHT-SECBINFHSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@H](CNC(=O)Cc1c[nH+]c[nH]1)[N@H+](C)C1CC1 ZINC000900543661 584324295 /nfs/dbraw/zinc/32/42/95/584324295.db2.gz PEYDGKZPPMMLHT-SECBINFHSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@H](CNC(=O)Cc1c[nH+]c[nH]1)[N@@H+](C)C1CC1 ZINC000900543661 584324298 /nfs/dbraw/zinc/32/42/98/584324298.db2.gz PEYDGKZPPMMLHT-SECBINFHSA-N 2 2 236.319 0.551 20 0 BCADLP CCCN(CC[NH+](C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900586206 584332019 /nfs/dbraw/zinc/33/20/19/584332019.db2.gz KIOKHKZQBBRDOG-UHFFFAOYSA-N 2 2 238.335 0.752 20 0 BCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000900666448 584337991 /nfs/dbraw/zinc/33/79/91/584337991.db2.gz VDCQEPNYDVANLW-LBPRGKRZSA-N 2 2 248.330 0.647 20 0 BCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000900666448 584337992 /nfs/dbraw/zinc/33/79/92/584337992.db2.gz VDCQEPNYDVANLW-LBPRGKRZSA-N 2 2 248.330 0.647 20 0 BCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000900666446 584337996 /nfs/dbraw/zinc/33/79/96/584337996.db2.gz VDCQEPNYDVANLW-GFCCVEGCSA-N 2 2 248.330 0.647 20 0 BCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000900666446 584337997 /nfs/dbraw/zinc/33/79/97/584337997.db2.gz VDCQEPNYDVANLW-GFCCVEGCSA-N 2 2 248.330 0.647 20 0 BCADLP CC[NH+](CC)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900694788 584338749 /nfs/dbraw/zinc/33/87/49/584338749.db2.gz JDTNQVVZJNESKO-SNVBAGLBSA-N 2 2 238.335 0.799 20 0 BCADLP CC[NH+](CC)C[C@@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900694788 584338750 /nfs/dbraw/zinc/33/87/50/584338750.db2.gz JDTNQVVZJNESKO-SNVBAGLBSA-N 2 2 238.335 0.799 20 0 BCADLP Cc1cc(NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)cc[nH+]1 ZINC000900673989 584340501 /nfs/dbraw/zinc/34/05/01/584340501.db2.gz VHZHEPYMMZAOCD-DGCLKSJQSA-N 2 2 249.314 0.206 20 0 BCADLP Cc1cc(NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)cc[nH+]1 ZINC000900673989 584340502 /nfs/dbraw/zinc/34/05/02/584340502.db2.gz VHZHEPYMMZAOCD-DGCLKSJQSA-N 2 2 249.314 0.206 20 0 BCADLP CC[N@@H+]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000901198011 584397739 /nfs/dbraw/zinc/39/77/39/584397739.db2.gz FWZVBQGUCFGULQ-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP CC[N@H+]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000901198011 584397740 /nfs/dbraw/zinc/39/77/40/584397740.db2.gz FWZVBQGUCFGULQ-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901288971 584422536 /nfs/dbraw/zinc/42/25/36/584422536.db2.gz YOVRTXFPUVYUBH-UWVGGRQHSA-N 2 2 236.319 0.503 20 0 BCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901288971 584422538 /nfs/dbraw/zinc/42/25/38/584422538.db2.gz YOVRTXFPUVYUBH-UWVGGRQHSA-N 2 2 236.319 0.503 20 0 BCADLP CCn1cnc(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000902036518 584514866 /nfs/dbraw/zinc/51/48/66/584514866.db2.gz XUXKGUDALSDMJE-UHFFFAOYSA-N 2 2 219.292 0.889 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)C1 ZINC000902146407 584530843 /nfs/dbraw/zinc/53/08/43/584530843.db2.gz LQZJKDNRDRDICA-SRVKXCTJSA-N 2 2 237.347 0.306 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)C1 ZINC000902146407 584530845 /nfs/dbraw/zinc/53/08/45/584530845.db2.gz LQZJKDNRDRDICA-SRVKXCTJSA-N 2 2 237.347 0.306 20 0 BCADLP Cn1cnnc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902338095 584565711 /nfs/dbraw/zinc/56/57/11/584565711.db2.gz LCFQLNAEYGKBLH-JTQLQIEISA-N 2 2 237.351 0.683 20 0 BCADLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902365343 584573486 /nfs/dbraw/zinc/57/34/86/584573486.db2.gz ZGRIWBZLOIEINE-NEPJUHHUSA-N 3 2 243.395 0.277 20 0 BCADLP CC1(C)C[C@@H]([NH2+]CC2([NH3+])CC2)C[C@@H]([NH3+])C1 ZINC000902410195 584575300 /nfs/dbraw/zinc/57/53/00/584575300.db2.gz PXPULTFDPXYSLB-ZJUUUORDSA-N 3 2 211.353 0.973 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902398919 584586252 /nfs/dbraw/zinc/58/62/52/584586252.db2.gz LYIKISKLEISASZ-WDEREUQCSA-N 3 2 213.369 0.962 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CC2([NH3+])CC2)CN1C1CC1 ZINC000902415581 584589435 /nfs/dbraw/zinc/58/94/35/584589435.db2.gz JILNTKMGHPVPGA-UWVGGRQHSA-N 2 2 209.337 0.693 20 0 BCADLP CC[C@H]([NH2+]CC1([NH3+])CC1)c1cnn(C)c1 ZINC000902415498 584589455 /nfs/dbraw/zinc/58/94/55/584589455.db2.gz GOFAYJNXESGJNJ-JTQLQIEISA-N 2 2 208.309 0.952 20 0 BCADLP C[C@@H](Cc1cnccn1)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902443255 584598484 /nfs/dbraw/zinc/59/84/84/584598484.db2.gz KWSCTGVNHULJHT-CMPLNLGQSA-N 2 2 234.347 0.995 20 0 BCADLP C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1[nH+]ccn1C ZINC000902476255 584602974 /nfs/dbraw/zinc/60/29/74/584602974.db2.gz OENSLGYZEAKBQH-ZRUFSTJUSA-N 2 2 220.320 0.964 20 0 BCADLP COc1nn(C)cc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000902456427 584610094 /nfs/dbraw/zinc/61/00/94/584610094.db2.gz ORQOLCUYZLWTQK-UWVGGRQHSA-N 2 2 224.308 0.398 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1NCc1cn(C)c[nH+]1 ZINC000902459611 584611163 /nfs/dbraw/zinc/61/11/63/584611163.db2.gz DBHCIVDQJATNRZ-MWLCHTKSSA-N 2 2 208.309 0.508 20 0 BCADLP c1cn2c([nH+]1)[C@@H](N[C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)CC2 ZINC000902461286 584611727 /nfs/dbraw/zinc/61/17/27/584611727.db2.gz NRXHYLHHNRBSAP-ZRUFSTJUSA-N 2 2 218.304 0.810 20 0 BCADLP Cn1c[nH+]c(CN[C@H]2CC[NH2+]C2(C)C)c1 ZINC000902463211 584612079 /nfs/dbraw/zinc/61/20/79/584612079.db2.gz ZVSOGWXGINXGOG-JTQLQIEISA-N 2 2 208.309 0.650 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1NCc1cn(C)c[nH+]1 ZINC000902462346 584612233 /nfs/dbraw/zinc/61/22/33/584612233.db2.gz UWJUVBFGHUHUGK-ONGXEEELSA-N 2 2 208.309 0.650 20 0 BCADLP Cn1c[nH+]c(CN[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000902462621 584612498 /nfs/dbraw/zinc/61/24/98/584612498.db2.gz WETYWTRLYBNZCJ-LLVKDONJSA-N 2 2 220.320 0.794 20 0 BCADLP C[C@@H](Cc1cnccn1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902464436 584613526 /nfs/dbraw/zinc/61/35/26/584613526.db2.gz CHPTXADMLIFCOK-JULQROHOSA-N 2 2 232.331 0.890 20 0 BCADLP [NH3+]C[C@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902465611 584613651 /nfs/dbraw/zinc/61/36/51/584613651.db2.gz HLCMVSWISFISSM-NJMOYASZSA-N 3 2 223.364 0.986 20 0 BCADLP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cnn(C)c1 ZINC000902465989 584614294 /nfs/dbraw/zinc/61/42/94/584614294.db2.gz IFDKDDGSIGVVKD-OHBODLIOSA-N 2 2 220.320 0.964 20 0 BCADLP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466816 584614643 /nfs/dbraw/zinc/61/46/43/584614643.db2.gz NFKNZTYZHMWRSZ-PZWNZHSQSA-N 3 2 209.337 0.596 20 0 BCADLP C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902485336 584624558 /nfs/dbraw/zinc/62/45/58/584624558.db2.gz ZZGCMANLQFHJML-MNOVXSKESA-N 2 2 248.392 0.541 20 0 BCADLP CCn1c[nH+]c(CNCC[N@@H+](CC)CCO)c1 ZINC000902489544 584627459 /nfs/dbraw/zinc/62/74/59/584627459.db2.gz REVSQODCHXTAOL-UHFFFAOYSA-N 2 2 240.351 0.307 20 0 BCADLP C[NH+](C)CC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902989721 584709130 /nfs/dbraw/zinc/70/91/30/584709130.db2.gz LWYDAMXTEDFJEN-KIJLLGNVSA-N 2 2 224.348 0.951 20 0 BCADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cn(C)nn1 ZINC000902993953 584711877 /nfs/dbraw/zinc/71/18/77/584711877.db2.gz ZIOHEUGMHWWCDC-DTWKUNHWSA-N 2 2 246.318 0.746 20 0 BCADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cn(C)nn1 ZINC000902993953 584711878 /nfs/dbraw/zinc/71/18/78/584711878.db2.gz ZIOHEUGMHWWCDC-DTWKUNHWSA-N 2 2 246.318 0.746 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903082059 584724814 /nfs/dbraw/zinc/72/48/14/584724814.db2.gz XLZGXVILDJAWRZ-FRRDWIJNSA-N 2 2 240.347 0.618 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903082059 584724816 /nfs/dbraw/zinc/72/48/16/584724816.db2.gz XLZGXVILDJAWRZ-FRRDWIJNSA-N 2 2 240.347 0.618 20 0 BCADLP C[NH+](C)CC[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903172118 584732520 /nfs/dbraw/zinc/73/25/20/584732520.db2.gz VUZDBDYNSLMXAH-GHMZBOCLSA-N 2 2 214.309 0.086 20 0 BCADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903210404 584736761 /nfs/dbraw/zinc/73/67/61/584736761.db2.gz XLZGXVILDJAWRZ-AVGNSLFASA-N 2 2 240.347 0.618 20 0 BCADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903210404 584736762 /nfs/dbraw/zinc/73/67/62/584736762.db2.gz XLZGXVILDJAWRZ-AVGNSLFASA-N 2 2 240.347 0.618 20 0 BCADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903210407 584736904 /nfs/dbraw/zinc/73/69/04/584736904.db2.gz XLZGXVILDJAWRZ-XQQFMLRXSA-N 2 2 240.347 0.618 20 0 BCADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903210407 584736906 /nfs/dbraw/zinc/73/69/06/584736906.db2.gz XLZGXVILDJAWRZ-XQQFMLRXSA-N 2 2 240.347 0.618 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000903217421 584737210 /nfs/dbraw/zinc/73/72/10/584737210.db2.gz ALUCVVSMFCIHKX-UTUOFQBUSA-N 2 2 239.363 0.395 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000903217421 584737211 /nfs/dbraw/zinc/73/72/11/584737211.db2.gz ALUCVVSMFCIHKX-UTUOFQBUSA-N 2 2 239.363 0.395 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000903217422 584737376 /nfs/dbraw/zinc/73/73/76/584737376.db2.gz ALUCVVSMFCIHKX-WOPDTQHZSA-N 2 2 239.363 0.395 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000903217422 584737377 /nfs/dbraw/zinc/73/73/77/584737377.db2.gz ALUCVVSMFCIHKX-WOPDTQHZSA-N 2 2 239.363 0.395 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000903300099 584743945 /nfs/dbraw/zinc/74/39/45/584743945.db2.gz GDHBYFLLRDDIIH-PREPNJAASA-N 2 2 240.347 0.866 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000903300099 584743947 /nfs/dbraw/zinc/74/39/47/584743947.db2.gz GDHBYFLLRDDIIH-PREPNJAASA-N 2 2 240.347 0.866 20 0 BCADLP C[C@H]1[C@H]([NH2+]C2CCN(C=O)CC2)CC[N@@H+]1C ZINC000903300657 584744079 /nfs/dbraw/zinc/74/40/79/584744079.db2.gz KLZMVBVWGLJOAJ-CMPLNLGQSA-N 2 2 225.336 0.289 20 0 BCADLP C[C@H]1[C@H]([NH2+]C2CCN(C=O)CC2)CC[N@H+]1C ZINC000903300657 584744080 /nfs/dbraw/zinc/74/40/80/584744080.db2.gz KLZMVBVWGLJOAJ-CMPLNLGQSA-N 2 2 225.336 0.289 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H]1C)c1ccc(=O)[nH]n1 ZINC000903302154 584744701 /nfs/dbraw/zinc/74/47/01/584744701.db2.gz WZJXGJUUHGPMIN-NGZCFLSTSA-N 2 2 236.319 0.925 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(=O)[nH]n1 ZINC000903302154 584744702 /nfs/dbraw/zinc/74/47/02/584744702.db2.gz WZJXGJUUHGPMIN-NGZCFLSTSA-N 2 2 236.319 0.925 20 0 BCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903426051 584760961 /nfs/dbraw/zinc/76/09/61/584760961.db2.gz CYNWPLIXPUUTAH-GRYCIOLGSA-N 3 2 213.369 0.805 20 0 BCADLP C[C@@](C[NH3+])([NH2+]Cc1cnns1)C1CC1 ZINC000903426093 584761231 /nfs/dbraw/zinc/76/12/31/584761231.db2.gz HALLQLMBBVEAKE-VIFPVBQESA-N 2 2 212.322 0.755 20 0 BCADLP COC[C@](C)(CCO)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000903441450 584763633 /nfs/dbraw/zinc/76/36/33/584763633.db2.gz SJZKQAJDBKTSQI-MNOVXSKESA-N 2 2 216.325 0.116 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H]2CCN(OC)C2=O)C1 ZINC000903421289 584763639 /nfs/dbraw/zinc/76/36/39/584763639.db2.gz KHWXPXBTNZLGIA-MNOVXSKESA-N 2 2 241.335 0.080 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H]2CCN(OC)C2=O)C1 ZINC000903421289 584763640 /nfs/dbraw/zinc/76/36/40/584763640.db2.gz KHWXPXBTNZLGIA-MNOVXSKESA-N 2 2 241.335 0.080 20 0 BCADLP C[C@@H](c1ncccn1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903449471 584771415 /nfs/dbraw/zinc/77/14/15/584771415.db2.gz CTRAONYKROGPBA-GARJFASQSA-N 2 2 218.304 0.689 20 0 BCADLP C[C@@H](c1ncccn1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903449471 584771417 /nfs/dbraw/zinc/77/14/17/584771417.db2.gz CTRAONYKROGPBA-GARJFASQSA-N 2 2 218.304 0.689 20 0 BCADLP [NH3+]CC[N@H+](CCO)Cc1ccc2cc[nH]c2c1 ZINC000903449557 584771530 /nfs/dbraw/zinc/77/15/30/584771530.db2.gz ULLYIYLCBRPKBV-UHFFFAOYSA-N 2 2 233.315 0.921 20 0 BCADLP [NH3+]CC[N@@H+](CCO)Cc1ccc2cc[nH]c2c1 ZINC000903449557 584771531 /nfs/dbraw/zinc/77/15/31/584771531.db2.gz ULLYIYLCBRPKBV-UHFFFAOYSA-N 2 2 233.315 0.921 20 0 BCADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903451484 584771762 /nfs/dbraw/zinc/77/17/62/584771762.db2.gz AJIPEVTWGPUXGM-RHYQMDGZSA-N 3 2 229.343 0.746 20 0 BCADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903451484 584771764 /nfs/dbraw/zinc/77/17/64/584771764.db2.gz AJIPEVTWGPUXGM-RHYQMDGZSA-N 3 2 229.343 0.746 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CC[C@@H]1[NH3+] ZINC000903450464 584772169 /nfs/dbraw/zinc/77/21/69/584772169.db2.gz WLIYNHYITRJXQJ-NDBYEHHHSA-N 3 2 225.380 0.901 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CC[C@@H]1[NH3+] ZINC000903450464 584772171 /nfs/dbraw/zinc/77/21/71/584772171.db2.gz WLIYNHYITRJXQJ-NDBYEHHHSA-N 3 2 225.380 0.901 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000903452475 584772313 /nfs/dbraw/zinc/77/23/13/584772313.db2.gz NCYAZAZXLXCCKW-WOPDTQHZSA-N 3 2 211.353 0.513 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000903452475 584772314 /nfs/dbraw/zinc/77/23/14/584772314.db2.gz NCYAZAZXLXCCKW-WOPDTQHZSA-N 3 2 211.353 0.513 20 0 BCADLP COC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903454451 584773698 /nfs/dbraw/zinc/77/36/98/584773698.db2.gz CLYCYBHSBSEFNX-OUAUKWLOSA-N 2 2 226.320 0.479 20 0 BCADLP COC(=O)[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903454451 584773700 /nfs/dbraw/zinc/77/37/00/584773700.db2.gz CLYCYBHSBSEFNX-OUAUKWLOSA-N 2 2 226.320 0.479 20 0 BCADLP CON1CC[C@H]([NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)C1=O ZINC000903455294 584773793 /nfs/dbraw/zinc/77/37/93/584773793.db2.gz SLQMSCGGOAVXAX-CHWFTXMASA-N 2 2 241.335 0.125 20 0 BCADLP CON1CC[C@H]([NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)C1=O ZINC000903455297 584774286 /nfs/dbraw/zinc/77/42/86/584774286.db2.gz SLQMSCGGOAVXAX-ZRUFSTJUSA-N 2 2 241.335 0.125 20 0 BCADLP CN(C)C(=O)CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903470199 584774537 /nfs/dbraw/zinc/77/45/37/584774537.db2.gz HTNAFGBVRJPVCA-SNVBAGLBSA-N 2 2 225.336 0.339 20 0 BCADLP C(CN1CCOCC1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903470177 584774613 /nfs/dbraw/zinc/77/46/13/584774613.db2.gz HHSGSDCLNLJKFV-LBPRGKRZSA-N 2 2 239.363 0.193 20 0 BCADLP CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903467881 584774646 /nfs/dbraw/zinc/77/46/46/584774646.db2.gz FKMIIHLDUKLNBR-GHMZBOCLSA-N 2 2 239.363 0.775 20 0 BCADLP O=C(C[NH2+][C@@H]1CC[NH2+]C12CCC2)NCC1CC1 ZINC000903468848 584774867 /nfs/dbraw/zinc/77/48/67/584774867.db2.gz OUKDAPSLLWQKMU-LLVKDONJSA-N 2 2 237.347 0.387 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903470316 584774935 /nfs/dbraw/zinc/77/49/35/584774935.db2.gz KRVZBVFIYNMLNJ-NSHDSACASA-N 2 2 239.363 0.729 20 0 BCADLP COCCOCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903469880 584774944 /nfs/dbraw/zinc/77/49/44/584774944.db2.gz CHAVWDTXMXSKTJ-LLVKDONJSA-N 2 2 228.336 0.524 20 0 BCADLP CN1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1=O ZINC000903472894 584775883 /nfs/dbraw/zinc/77/58/83/584775883.db2.gz WPTWCIKLUHSVNL-NXEZZACHSA-N 2 2 223.320 0.091 20 0 BCADLP COCC(COC)[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000903751309 584795391 /nfs/dbraw/zinc/79/53/91/584795391.db2.gz CRQAZGLFZPJEKM-HOSYDEDBSA-N 2 2 230.352 0.624 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903752749 584796205 /nfs/dbraw/zinc/79/62/05/584796205.db2.gz WGKINCIQGUGJFB-CYDGBPFRSA-N 3 2 239.363 0.177 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903752749 584796206 /nfs/dbraw/zinc/79/62/06/584796206.db2.gz WGKINCIQGUGJFB-CYDGBPFRSA-N 3 2 239.363 0.177 20 0 BCADLP [NH3+]CC[N@H+](CCO)Cc1ccccc1CF ZINC000903744459 584796638 /nfs/dbraw/zinc/79/66/38/584796638.db2.gz SJGKDMFJVNSFRO-UHFFFAOYSA-N 2 2 226.295 0.909 20 0 BCADLP [NH3+]CC[N@@H+](CCO)Cc1ccccc1CF ZINC000903744459 584796639 /nfs/dbraw/zinc/79/66/39/584796639.db2.gz SJGKDMFJVNSFRO-UHFFFAOYSA-N 2 2 226.295 0.909 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903775074 584798927 /nfs/dbraw/zinc/79/89/27/584798927.db2.gz HGNFZJKMCJGRAP-SRVKXCTJSA-N 3 2 227.352 0.034 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903775074 584798929 /nfs/dbraw/zinc/79/89/29/584798929.db2.gz HGNFZJKMCJGRAP-SRVKXCTJSA-N 3 2 227.352 0.034 20 0 BCADLP [NH3+]CCOCC[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903799989 584801280 /nfs/dbraw/zinc/80/12/80/584801280.db2.gz FUBCXGPVODSZNC-NEPJUHHUSA-N 3 2 227.352 0.165 20 0 BCADLP [NH3+]CCOCC[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903799989 584801281 /nfs/dbraw/zinc/80/12/81/584801281.db2.gz FUBCXGPVODSZNC-NEPJUHHUSA-N 3 2 227.352 0.165 20 0 BCADLP CN(C)C(=O)CC[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903800844 584801384 /nfs/dbraw/zinc/80/13/84/584801384.db2.gz JECDKZIMBOKBQZ-AAEUAGOBSA-N 2 2 239.363 0.668 20 0 BCADLP CN(C)C(=O)CC[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903800844 584801385 /nfs/dbraw/zinc/80/13/85/584801385.db2.gz JECDKZIMBOKBQZ-AAEUAGOBSA-N 2 2 239.363 0.668 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903799229 584801464 /nfs/dbraw/zinc/80/14/64/584801464.db2.gz CNFOCWPNAJZVSC-JQWIXIFHSA-N 2 2 225.336 0.278 20 0 BCADLP CN(C)C(=O)C[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903799229 584801465 /nfs/dbraw/zinc/80/14/65/584801465.db2.gz CNFOCWPNAJZVSC-JQWIXIFHSA-N 2 2 225.336 0.278 20 0 BCADLP COCCOCC[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903798265 584801705 /nfs/dbraw/zinc/80/17/05/584801705.db2.gz MVKYASRUPGZVSR-STQMWFEESA-N 2 2 242.363 0.853 20 0 BCADLP COCCOCC[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903798265 584801706 /nfs/dbraw/zinc/80/17/06/584801706.db2.gz MVKYASRUPGZVSR-STQMWFEESA-N 2 2 242.363 0.853 20 0 BCADLP O[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C[C@@H]1F ZINC000903838539 584806638 /nfs/dbraw/zinc/80/66/38/584806638.db2.gz CECKNERKUWLXCI-GRYCIOLGSA-N 2 2 230.327 0.781 20 0 BCADLP O[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C[C@@H]1F ZINC000903838539 584806639 /nfs/dbraw/zinc/80/66/39/584806639.db2.gz CECKNERKUWLXCI-GRYCIOLGSA-N 2 2 230.327 0.781 20 0 BCADLP CN(C(=O)C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+])C1CC1 ZINC000903853531 584808390 /nfs/dbraw/zinc/80/83/90/584808390.db2.gz FQLXBRVMMTXGNE-GXFFZTMASA-N 2 2 237.347 0.420 20 0 BCADLP CN(C(=O)C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+])C1CC1 ZINC000903853531 584808391 /nfs/dbraw/zinc/80/83/91/584808391.db2.gz FQLXBRVMMTXGNE-GXFFZTMASA-N 2 2 237.347 0.420 20 0 BCADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCN1CCOC1=O ZINC000903854805 584808627 /nfs/dbraw/zinc/80/86/27/584808627.db2.gz KPJSDVQDGXQWAF-CMPLNLGQSA-N 2 2 239.319 0.252 20 0 BCADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCN1CCOC1=O ZINC000903854805 584808629 /nfs/dbraw/zinc/80/86/29/584808629.db2.gz KPJSDVQDGXQWAF-CMPLNLGQSA-N 2 2 239.319 0.252 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903856073 584809529 /nfs/dbraw/zinc/80/95/29/584809529.db2.gz QFMFCMBBMSARMP-PWSUYJOCSA-N 2 2 225.336 0.324 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903856073 584809530 /nfs/dbraw/zinc/80/95/30/584809530.db2.gz QFMFCMBBMSARMP-PWSUYJOCSA-N 2 2 225.336 0.324 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903857005 584810420 /nfs/dbraw/zinc/81/04/20/584810420.db2.gz BTPALCMDNYTZPU-DGCLKSJQSA-N 3 2 234.347 0.776 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903857005 584810422 /nfs/dbraw/zinc/81/04/22/584810422.db2.gz BTPALCMDNYTZPU-DGCLKSJQSA-N 3 2 234.347 0.776 20 0 BCADLP Cn1c[nH+]cc1CCN1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903857005 584810424 /nfs/dbraw/zinc/81/04/24/584810424.db2.gz BTPALCMDNYTZPU-DGCLKSJQSA-N 2 2 234.347 0.776 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903858909 584810870 /nfs/dbraw/zinc/81/08/70/584810870.db2.gz KCGKBJLTEKYPFH-XQHKEYJVSA-N 3 2 223.364 0.655 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903858909 584810872 /nfs/dbraw/zinc/81/08/72/584810872.db2.gz KCGKBJLTEKYPFH-XQHKEYJVSA-N 3 2 223.364 0.655 20 0 BCADLP CCOC(=O)CC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903859144 584811045 /nfs/dbraw/zinc/81/10/45/584811045.db2.gz LGQUOJLFAZJXCH-JQWIXIFHSA-N 2 2 226.320 0.753 20 0 BCADLP CCOC(=O)CC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903859144 584811046 /nfs/dbraw/zinc/81/10/46/584811046.db2.gz LGQUOJLFAZJXCH-JQWIXIFHSA-N 2 2 226.320 0.753 20 0 BCADLP CCOCCOCC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903864713 584813086 /nfs/dbraw/zinc/81/30/86/584813086.db2.gz VZKZRNFIILGTTO-OLZOCXBDSA-N 2 2 242.363 0.853 20 0 BCADLP CCOCCOCC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903864713 584813087 /nfs/dbraw/zinc/81/30/87/584813087.db2.gz VZKZRNFIILGTTO-OLZOCXBDSA-N 2 2 242.363 0.853 20 0 BCADLP CCOC[C@H](O)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869266 584814298 /nfs/dbraw/zinc/81/42/98/584814298.db2.gz FTKRTLXIDIBTHJ-NEPJUHHUSA-N 2 2 228.336 0.212 20 0 BCADLP CCOC[C@H](O)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869266 584814299 /nfs/dbraw/zinc/81/42/99/584814299.db2.gz FTKRTLXIDIBTHJ-NEPJUHHUSA-N 2 2 228.336 0.212 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903870690 584814899 /nfs/dbraw/zinc/81/48/99/584814899.db2.gz PIWNNDBZDNYRAG-FRRDWIJNSA-N 3 2 223.364 0.670 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903870690 584814901 /nfs/dbraw/zinc/81/49/01/584814901.db2.gz PIWNNDBZDNYRAG-FRRDWIJNSA-N 3 2 223.364 0.670 20 0 BCADLP COC[C@@H](C[N@@H+]1CCC[C@]12CC[NH2+]C2)OC ZINC000903871840 584815044 /nfs/dbraw/zinc/81/50/44/584815044.db2.gz WFKNIDMROOEDBL-VXGBXAGGSA-N 2 2 228.336 0.476 20 0 BCADLP COC[C@@H](C[N@H+]1CCC[C@]12CC[NH2+]C2)OC ZINC000903871840 584815046 /nfs/dbraw/zinc/81/50/46/584815046.db2.gz WFKNIDMROOEDBL-VXGBXAGGSA-N 2 2 228.336 0.476 20 0 BCADLP NC(=O)C[N@H+](C[C@H]([NH3+])CC(F)F)C1CCCC1 ZINC000903879432 584817243 /nfs/dbraw/zinc/81/72/43/584817243.db2.gz AYYFRGNDEVYQIO-MRVPVSSYSA-N 2 2 249.305 0.699 20 0 BCADLP NC(=O)C[N@@H+](C[C@H]([NH3+])CC(F)F)C1CCCC1 ZINC000903879432 584817245 /nfs/dbraw/zinc/81/72/45/584817245.db2.gz AYYFRGNDEVYQIO-MRVPVSSYSA-N 2 2 249.305 0.699 20 0 BCADLP COC[C@H]1C[NH2+]CCN1Cc1cc[nH+]c(N)c1 ZINC000903880144 584817429 /nfs/dbraw/zinc/81/74/29/584817429.db2.gz DLGGNNHIUWZKCL-LLVKDONJSA-N 2 2 236.319 0.084 20 0 BCADLP CC[C@H]1C(=O)NCCC[N@H+]1CCC[NH2+]C ZINC000903882104 584818031 /nfs/dbraw/zinc/81/80/31/584818031.db2.gz KXUVJAWXHQCHJJ-JTQLQIEISA-N 2 2 213.325 0.196 20 0 BCADLP CC[C@H]1C(=O)NCCC[N@@H+]1CCC[NH2+]C ZINC000903882104 584818032 /nfs/dbraw/zinc/81/80/32/584818032.db2.gz KXUVJAWXHQCHJJ-JTQLQIEISA-N 2 2 213.325 0.196 20 0 BCADLP NC(=O)CC1CC[NH+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000903883300 584818401 /nfs/dbraw/zinc/81/84/01/584818401.db2.gz HHYQDZSUCCGYGS-SECBINFHSA-N 2 2 249.305 0.556 20 0 BCADLP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903884433 584818745 /nfs/dbraw/zinc/81/87/45/584818745.db2.gz ZPQJJOKEIHKEPZ-VGMNWLOBSA-N 2 2 249.305 0.555 20 0 BCADLP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903884433 584818746 /nfs/dbraw/zinc/81/87/46/584818746.db2.gz ZPQJJOKEIHKEPZ-VGMNWLOBSA-N 2 2 249.305 0.555 20 0 BCADLP CNC(=O)[C@@H]1CCC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903892714 584818878 /nfs/dbraw/zinc/81/88/78/584818878.db2.gz LZKMHHBTRSBQCB-RKDXNWHRSA-N 2 2 249.305 0.427 20 0 BCADLP CNC(=O)[C@@H]1CCC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903892714 584818879 /nfs/dbraw/zinc/81/88/79/584818879.db2.gz LZKMHHBTRSBQCB-RKDXNWHRSA-N 2 2 249.305 0.427 20 0 BCADLP C[C@H](O)[C@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903901979 584820202 /nfs/dbraw/zinc/82/02/02/584820202.db2.gz CHLSPNSNPKMUTG-CIUDSAMLSA-N 2 2 222.279 0.672 20 0 BCADLP C[C@H](O)[C@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903901979 584820203 /nfs/dbraw/zinc/82/02/03/584820203.db2.gz CHLSPNSNPKMUTG-CIUDSAMLSA-N 2 2 222.279 0.672 20 0 BCADLP NC(=O)C[C@@H]1CCC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903898823 584820431 /nfs/dbraw/zinc/82/04/31/584820431.db2.gz QFAMPDGKANIMRG-DTWKUNHWSA-N 2 2 249.305 0.556 20 0 BCADLP NC(=O)C[C@@H]1CCC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903898823 584820432 /nfs/dbraw/zinc/82/04/32/584820432.db2.gz QFAMPDGKANIMRG-DTWKUNHWSA-N 2 2 249.305 0.556 20 0 BCADLP C[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)[C@H]1CO ZINC000903909738 584822063 /nfs/dbraw/zinc/82/20/63/584822063.db2.gz YFHQNBVOZLWGDL-VGMNWLOBSA-N 2 2 222.279 0.672 20 0 BCADLP C[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@H]1CO ZINC000903909738 584822064 /nfs/dbraw/zinc/82/20/64/584822064.db2.gz YFHQNBVOZLWGDL-VGMNWLOBSA-N 2 2 222.279 0.672 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H]([NH3+])CC(F)F)CC[C@@H]1O ZINC000903908331 584822071 /nfs/dbraw/zinc/82/20/71/584822071.db2.gz GXMHCSQNDXBSKO-VGMNWLOBSA-N 2 2 222.279 0.672 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H]([NH3+])CC(F)F)CC[C@@H]1O ZINC000903908331 584822072 /nfs/dbraw/zinc/82/20/72/584822072.db2.gz GXMHCSQNDXBSKO-VGMNWLOBSA-N 2 2 222.279 0.672 20 0 BCADLP C[C@]12COC[C@@H]1C[N@H+](C[C@H]([NH3+])CC(F)F)C2 ZINC000903933094 584824800 /nfs/dbraw/zinc/82/48/00/584824800.db2.gz LAOGLBHMADLLIG-NGZCFLSTSA-N 2 2 234.290 0.937 20 0 BCADLP C[C@]12COC[C@@H]1C[N@@H+](C[C@H]([NH3+])CC(F)F)C2 ZINC000903933094 584824801 /nfs/dbraw/zinc/82/48/01/584824801.db2.gz LAOGLBHMADLLIG-NGZCFLSTSA-N 2 2 234.290 0.937 20 0 BCADLP CC(=O)NCC[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903932250 584824840 /nfs/dbraw/zinc/82/48/40/584824840.db2.gz PPKMCNHQHMUBAB-MRVPVSSYSA-N 2 2 223.267 0.037 20 0 BCADLP CC(=O)NCC[N@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903932250 584824841 /nfs/dbraw/zinc/82/48/41/584824841.db2.gz PPKMCNHQHMUBAB-MRVPVSSYSA-N 2 2 223.267 0.037 20 0 BCADLP C[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)C[C@H]1CO ZINC000903933852 584824855 /nfs/dbraw/zinc/82/48/55/584824855.db2.gz WVKDIIIBWYENQR-UTLUCORTSA-N 2 2 236.306 0.919 20 0 BCADLP C[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C[C@H]1CO ZINC000903933852 584824856 /nfs/dbraw/zinc/82/48/56/584824856.db2.gz WVKDIIIBWYENQR-UTLUCORTSA-N 2 2 236.306 0.919 20 0 BCADLP C[C@H]([NH2+]C[C@@H]([NH3+])CC(F)F)[C@H]1CCC[NH2+]C1 ZINC000903917767 584826834 /nfs/dbraw/zinc/82/68/34/584826834.db2.gz NHCZYZTZXZILJT-GUBZILKMSA-N 3 2 235.322 0.947 20 0 BCADLP C[C@H]([NH2+]C[C@H]([NH3+])CC(F)F)[C@H]1CCC[NH2+]C1 ZINC000903917769 584827110 /nfs/dbraw/zinc/82/71/10/584827110.db2.gz NHCZYZTZXZILJT-LPEHRKFASA-N 3 2 235.322 0.947 20 0 BCADLP Cn1cc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)nn1 ZINC000903960097 584827788 /nfs/dbraw/zinc/82/77/88/584827788.db2.gz XAJBLNTXFGPNHC-CYBMUJFWSA-N 2 2 249.362 0.781 20 0 BCADLP Cn1cc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)nn1 ZINC000903960097 584827789 /nfs/dbraw/zinc/82/77/89/584827789.db2.gz XAJBLNTXFGPNHC-CYBMUJFWSA-N 2 2 249.362 0.781 20 0 BCADLP C[C@H]1OCC[C@@H]1[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903949870 584829973 /nfs/dbraw/zinc/82/99/73/584829973.db2.gz FZNQVYOTQGQUMW-KCJUWKMLSA-N 2 2 207.277 0.931 20 0 BCADLP CCC1([NH3+])CC[NH+](C[C@]23C[C@H]2C[NH2+]C3)CC1 ZINC000903948172 584830452 /nfs/dbraw/zinc/83/04/52/584830452.db2.gz MMUJSLWYPSCXKM-NWDGAFQWSA-N 3 2 223.364 0.799 20 0 BCADLP Cc1nn(C)cc1C[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950865 584830598 /nfs/dbraw/zinc/83/05/98/584830598.db2.gz SKDWBOBCLGGTSY-UHFFFAOYSA-N 2 2 231.303 0.996 20 0 BCADLP C[C@]1(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)CC[NH2+]C1 ZINC000903956107 584832284 /nfs/dbraw/zinc/83/22/84/584832284.db2.gz GZSHFWDQWBBXHW-MNOVXSKESA-N 3 2 247.333 0.820 20 0 BCADLP FC1(F)CC[NH2+]C[C@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000903956123 584832366 /nfs/dbraw/zinc/83/23/66/584832366.db2.gz HGFPMXIJIMCWOS-VIFPVBQESA-N 3 2 233.306 0.573 20 0 BCADLP C[NH2+]CCCCc1nc(Cc2c[nH+]cn2C)no1 ZINC000904098945 584841089 /nfs/dbraw/zinc/84/10/89/584841089.db2.gz JIEUSNRTUKNXPM-UHFFFAOYSA-N 2 2 249.318 0.936 20 0 BCADLP C[C@H]1C[N@H+](Cc2ccc(N)nn2)CC[C@H]1[NH3+] ZINC000904299321 584860173 /nfs/dbraw/zinc/86/01/73/584860173.db2.gz BEOZACHANBJFGS-WCBMZHEXSA-N 2 2 221.308 0.228 20 0 BCADLP C[C@H]1C[N@@H+](Cc2ccc(N)nn2)CC[C@H]1[NH3+] ZINC000904299321 584860174 /nfs/dbraw/zinc/86/01/74/584860174.db2.gz BEOZACHANBJFGS-WCBMZHEXSA-N 2 2 221.308 0.228 20 0 BCADLP CC[C@@H]1C[N@H+](Cc2ccc(N)nn2)CC[C@@H]1[NH3+] ZINC000904302678 584861723 /nfs/dbraw/zinc/86/17/23/584861723.db2.gz YAYMRAUKDYULGP-KOLCDFICSA-N 2 2 235.335 0.618 20 0 BCADLP CC[C@@H]1C[N@@H+](Cc2ccc(N)nn2)CC[C@@H]1[NH3+] ZINC000904302678 584861724 /nfs/dbraw/zinc/86/17/24/584861724.db2.gz YAYMRAUKDYULGP-KOLCDFICSA-N 2 2 235.335 0.618 20 0 BCADLP CCC[N@H+](CC(=O)NC)C[C@@]1(C)CCC[NH2+]C1 ZINC000904313746 584863395 /nfs/dbraw/zinc/86/33/95/584863395.db2.gz ZGSYBFCATVKJQB-ZDUSSCGKSA-N 2 2 241.379 0.834 20 0 BCADLP CCC[N@@H+](CC(=O)NC)C[C@@]1(C)CCC[NH2+]C1 ZINC000904313746 584863397 /nfs/dbraw/zinc/86/33/97/584863397.db2.gz ZGSYBFCATVKJQB-ZDUSSCGKSA-N 2 2 241.379 0.834 20 0 BCADLP C[C@]1(C[N@@H+]2CCCNC(=O)C2)CCC[NH2+]C1 ZINC000904313007 584863564 /nfs/dbraw/zinc/86/35/64/584863564.db2.gz ASIDUWTXXGMSQT-LBPRGKRZSA-N 2 2 225.336 0.198 20 0 BCADLP C[C@]1(C[N@H+]2CCCNC(=O)C2)CCC[NH2+]C1 ZINC000904313007 584863565 /nfs/dbraw/zinc/86/35/65/584863565.db2.gz ASIDUWTXXGMSQT-LBPRGKRZSA-N 2 2 225.336 0.198 20 0 BCADLP C[N@@H+]1CCN(Cc2ccc(C[NH3+])cc2)[C@@H](C[NH3+])C1 ZINC000904350375 584868758 /nfs/dbraw/zinc/86/87/58/584868758.db2.gz JUNBXPUXWAKNOZ-AWEZNQCLSA-N 3 2 248.374 0.220 20 0 BCADLP C[N@H+]1CCN(Cc2ccc(C[NH3+])cc2)[C@@H](C[NH3+])C1 ZINC000904350375 584868760 /nfs/dbraw/zinc/86/87/60/584868760.db2.gz JUNBXPUXWAKNOZ-AWEZNQCLSA-N 3 2 248.374 0.220 20 0 BCADLP Nc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)nn1 ZINC000904350283 584868805 /nfs/dbraw/zinc/86/88/05/584868805.db2.gz JZBBJCSZJZQBLT-ZDUSSCGKSA-N 2 2 247.346 0.634 20 0 BCADLP Nc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)nn1 ZINC000904350283 584868806 /nfs/dbraw/zinc/86/88/06/584868806.db2.gz JZBBJCSZJZQBLT-ZDUSSCGKSA-N 2 2 247.346 0.634 20 0 BCADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH3+])cc2)C[C@H]1[NH3+] ZINC000904351196 584869449 /nfs/dbraw/zinc/86/94/49/584869449.db2.gz WFSLOSUTLNEAHG-ZWNOBZJWSA-N 3 2 219.332 0.924 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)C[C@H]1[NH3+] ZINC000904351196 584869451 /nfs/dbraw/zinc/86/94/51/584869451.db2.gz WFSLOSUTLNEAHG-ZWNOBZJWSA-N 3 2 219.332 0.924 20 0 BCADLP c1cn(C2CC2)c(CN2CC[NH2+]CC[NH2+]CC2)[nH+]1 ZINC000904396125 584875326 /nfs/dbraw/zinc/87/53/26/584875326.db2.gz MBVNCLZPTGGIAX-UHFFFAOYSA-N 3 2 249.362 0.213 20 0 BCADLP CCC[C@@H](C)CN1CC[NH2+]CC[NH2+]CC1 ZINC000904396663 584875464 /nfs/dbraw/zinc/87/54/64/584875464.db2.gz MIVVVGRSWTUTBN-GFCCVEGCSA-N 2 2 213.369 0.917 20 0 BCADLP C[C@]1(C[NH2+]CC2([NH3+])CCOCC2)CCC[NH2+]C1 ZINC000904380737 584876728 /nfs/dbraw/zinc/87/67/28/584876728.db2.gz OTLFMEZLRDIVQO-LBPRGKRZSA-N 3 2 241.379 0.474 20 0 BCADLP Cc1cc(NC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc[nH+]1 ZINC000904398462 584880345 /nfs/dbraw/zinc/88/03/45/584880345.db2.gz PUQXWRKQEXDZLG-MVWJERBFSA-N 2 2 246.314 0.826 20 0 BCADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CNOC2)s1 ZINC000904424171 584880718 /nfs/dbraw/zinc/88/07/18/584880718.db2.gz OVFWSQUSCCXXJA-MRVPVSSYSA-N 2 2 242.348 0.198 20 0 BCADLP Cn1ccnc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421320 584881961 /nfs/dbraw/zinc/88/19/61/584881961.db2.gz YDVZTWUDVGPCNM-WDEREUQCSA-N 2 2 220.320 0.461 20 0 BCADLP Cn1ccnc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421320 584881962 /nfs/dbraw/zinc/88/19/62/584881962.db2.gz YDVZTWUDVGPCNM-WDEREUQCSA-N 2 2 220.320 0.461 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](C)[NH3+] ZINC000877107753 584890416 /nfs/dbraw/zinc/89/04/16/584890416.db2.gz LHYXGQXLEXPDRC-SSDOTTSWSA-N 2 2 210.281 0.066 20 0 BCADLP CC(C)c1nc(NC[C@@H](O)C[NH+](C)C)cc[nH+]1 ZINC000731920412 584931416 /nfs/dbraw/zinc/93/14/16/584931416.db2.gz HJSUJDKUZISWMK-SNVBAGLBSA-N 2 2 238.335 0.934 20 0 BCADLP C[NH+](C)C[C@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000731920721 584931460 /nfs/dbraw/zinc/93/14/60/584931460.db2.gz SDGJTOPDCFXFNN-SNVBAGLBSA-N 2 2 236.319 0.688 20 0 BCADLP OCC1([NH2+]CC[NH+]2CCCC2)CCSCC1 ZINC000839178725 585096351 /nfs/dbraw/zinc/09/63/51/585096351.db2.gz AQXRCHNSABCATM-UHFFFAOYSA-N 2 2 244.404 0.930 20 0 BCADLP C[C@H](O)C[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000742370509 585125126 /nfs/dbraw/zinc/12/51/26/585125126.db2.gz YGHZWRLDCYLBPO-WCQYABFASA-N 2 2 242.363 0.600 20 0 BCADLP C[C@H](O)C[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000742370509 585125127 /nfs/dbraw/zinc/12/51/27/585125127.db2.gz YGHZWRLDCYLBPO-WCQYABFASA-N 2 2 242.363 0.600 20 0 BCADLP CC(C)[C@@H](C[NH+](C)C)NC(=O)Cn1cc[nH+]c1 ZINC000746260321 585166571 /nfs/dbraw/zinc/16/65/71/585166571.db2.gz UZDRUFJYFXRCOZ-LLVKDONJSA-N 2 2 238.335 0.586 20 0 BCADLP COCC[NH+]1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000748048902 585186638 /nfs/dbraw/zinc/18/66/38/585186638.db2.gz ZBJLPYBCRZXWDZ-SNVBAGLBSA-N 2 2 243.376 0.742 20 0 BCADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000765767784 585492403 /nfs/dbraw/zinc/49/24/03/585492403.db2.gz HMJLOIZEQRKMER-NWDGAFQWSA-N 2 2 241.379 0.927 20 0 BCADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000765767784 585492404 /nfs/dbraw/zinc/49/24/04/585492404.db2.gz HMJLOIZEQRKMER-NWDGAFQWSA-N 2 2 241.379 0.927 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCNC(=O)C1 ZINC000767371659 585518091 /nfs/dbraw/zinc/51/80/91/585518091.db2.gz VUPVWYHEKOGBDP-LLVKDONJSA-N 2 2 225.336 0.293 20 0 BCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCNC(=O)C1 ZINC000767371659 585518092 /nfs/dbraw/zinc/51/80/92/585518092.db2.gz VUPVWYHEKOGBDP-LLVKDONJSA-N 2 2 225.336 0.293 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCNC(=O)C1 ZINC000767371659 585518093 /nfs/dbraw/zinc/51/80/93/585518093.db2.gz VUPVWYHEKOGBDP-LLVKDONJSA-N 2 2 225.336 0.293 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCNC(=O)C1 ZINC000767371659 585518094 /nfs/dbraw/zinc/51/80/94/585518094.db2.gz VUPVWYHEKOGBDP-LLVKDONJSA-N 2 2 225.336 0.293 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)CN1CCCC1=O ZINC000767759521 585525815 /nfs/dbraw/zinc/52/58/15/585525815.db2.gz OPJWCPRCEKQQKC-UHFFFAOYSA-N 2 2 236.319 0.785 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)CN1CCCC1=O ZINC000767759521 585525816 /nfs/dbraw/zinc/52/58/16/585525816.db2.gz OPJWCPRCEKQQKC-UHFFFAOYSA-N 2 2 236.319 0.785 20 0 BCADLP C[C@@H](C[NH+]1CCOCC1)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000774736587 585664627 /nfs/dbraw/zinc/66/46/27/585664627.db2.gz FYHTZPUICUUYAF-STQMWFEESA-N 2 2 241.379 0.343 20 0 BCADLP C[C@H]1CCOCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000775567387 585679878 /nfs/dbraw/zinc/67/98/78/585679878.db2.gz HCNAULUZJKIQMF-QWHCGFSZSA-N 2 2 242.363 0.554 20 0 BCADLP C[C@H]1CCOCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000775567387 585679879 /nfs/dbraw/zinc/67/98/79/585679879.db2.gz HCNAULUZJKIQMF-QWHCGFSZSA-N 2 2 242.363 0.554 20 0 BCADLP CC[N@H+](CCCn1cc[nH+]c1)CC(=O)NC ZINC000775949327 585688342 /nfs/dbraw/zinc/68/83/42/585688342.db2.gz ZHMLWRSNTUDKDU-UHFFFAOYSA-N 2 2 224.308 0.341 20 0 BCADLP CC[N@@H+](CCCn1cc[nH+]c1)CC(=O)NC ZINC000775949327 585688343 /nfs/dbraw/zinc/68/83/43/585688343.db2.gz ZHMLWRSNTUDKDU-UHFFFAOYSA-N 2 2 224.308 0.341 20 0 BCADLP c1nncn1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000776756255 585703926 /nfs/dbraw/zinc/70/39/26/585703926.db2.gz MBHANDGKCAPYOX-UHFFFAOYSA-N 2 2 244.302 0.453 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+](Cn2cnnc2)C1 ZINC000776760522 585704567 /nfs/dbraw/zinc/70/45/67/585704567.db2.gz SDCKMSPJLGDRQV-LLVKDONJSA-N 2 2 223.324 0.509 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cn2cnnc2)C1 ZINC000776760522 585704568 /nfs/dbraw/zinc/70/45/68/585704568.db2.gz SDCKMSPJLGDRQV-LLVKDONJSA-N 2 2 223.324 0.509 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+](Cn2cnnc2)C1 ZINC000776760522 585704569 /nfs/dbraw/zinc/70/45/69/585704569.db2.gz SDCKMSPJLGDRQV-LLVKDONJSA-N 2 2 223.324 0.509 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cn2cnnc2)C1 ZINC000776760522 585704570 /nfs/dbraw/zinc/70/45/70/585704570.db2.gz SDCKMSPJLGDRQV-LLVKDONJSA-N 2 2 223.324 0.509 20 0 BCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000777456675 585712630 /nfs/dbraw/zinc/71/26/30/585712630.db2.gz BMDMTVSRDRAFDR-SNVBAGLBSA-N 2 2 245.286 0.970 20 0 BCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(F)nc2)C1 ZINC000778177859 585727149 /nfs/dbraw/zinc/72/71/49/585727149.db2.gz XZBMSJFIHRUUCX-GFCCVEGCSA-N 2 2 239.294 0.377 20 0 BCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(F)nc2)C1 ZINC000778177859 585727150 /nfs/dbraw/zinc/72/71/50/585727150.db2.gz XZBMSJFIHRUUCX-GFCCVEGCSA-N 2 2 239.294 0.377 20 0 BCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CC=CCC1 ZINC000778970204 585743578 /nfs/dbraw/zinc/74/35/78/585743578.db2.gz ZQKIAMCLEGCXSH-GFCCVEGCSA-N 2 2 210.321 0.705 20 0 BCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CC=CCC1 ZINC000778970204 585743579 /nfs/dbraw/zinc/74/35/79/585743579.db2.gz ZQKIAMCLEGCXSH-GFCCVEGCSA-N 2 2 210.321 0.705 20 0 BCADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)CCO)C1 ZINC000779386580 585753041 /nfs/dbraw/zinc/75/30/41/585753041.db2.gz XPOSYJXAVFDXPJ-CHWSQXEVSA-N 2 2 244.379 0.704 20 0 BCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)CCO)C1 ZINC000779386580 585753042 /nfs/dbraw/zinc/75/30/42/585753042.db2.gz XPOSYJXAVFDXPJ-CHWSQXEVSA-N 2 2 244.379 0.704 20 0 BCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCO ZINC000779401612 585753473 /nfs/dbraw/zinc/75/34/73/585753473.db2.gz WVULQQGFWHAVNK-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCO ZINC000779401612 585753474 /nfs/dbraw/zinc/75/34/74/585753474.db2.gz WVULQQGFWHAVNK-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC[S@](C)=O)C1 ZINC000798198060 586140290 /nfs/dbraw/zinc/14/02/90/586140290.db2.gz VSSPWZUKURQAEH-NHYWBVRUSA-N 2 2 232.393 0.639 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[S@](C)=O)C1 ZINC000798198060 586140291 /nfs/dbraw/zinc/14/02/91/586140291.db2.gz VSSPWZUKURQAEH-NHYWBVRUSA-N 2 2 232.393 0.639 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC[S@](C)=O)C1 ZINC000798198060 586140292 /nfs/dbraw/zinc/14/02/92/586140292.db2.gz VSSPWZUKURQAEH-NHYWBVRUSA-N 2 2 232.393 0.639 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[S@](C)=O)C1 ZINC000798198060 586140293 /nfs/dbraw/zinc/14/02/93/586140293.db2.gz VSSPWZUKURQAEH-NHYWBVRUSA-N 2 2 232.393 0.639 20 0 BCADLP C[C@@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)CC[NH+]1C ZINC000800367012 586213818 /nfs/dbraw/zinc/21/38/18/586213818.db2.gz QVEMJHMTMUCFIQ-OLZOCXBDSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)CC[NH+]1C ZINC000800367012 586213820 /nfs/dbraw/zinc/21/38/20/586213820.db2.gz QVEMJHMTMUCFIQ-OLZOCXBDSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1CN(CC[NH+]2CCO[C@@H](C)C2)CC[N@@H+]1C ZINC000800367012 586213822 /nfs/dbraw/zinc/21/38/22/586213822.db2.gz QVEMJHMTMUCFIQ-OLZOCXBDSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1CN(CC[NH+]2CCO[C@@H](C)C2)CC[N@H+]1C ZINC000800367012 586213823 /nfs/dbraw/zinc/21/38/23/586213823.db2.gz QVEMJHMTMUCFIQ-OLZOCXBDSA-N 2 2 241.379 0.343 20 0 BCADLP Cn1cnc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000810171938 586536092 /nfs/dbraw/zinc/53/60/92/586536092.db2.gz ZDLNIFHBHQPUEN-SECBINFHSA-N 2 2 231.303 0.790 20 0 BCADLP Cn1cnc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000810171938 586536094 /nfs/dbraw/zinc/53/60/94/586536094.db2.gz ZDLNIFHBHQPUEN-SECBINFHSA-N 2 2 231.303 0.790 20 0 BCADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC3OCCO3)C2)C1 ZINC000815143645 586669873 /nfs/dbraw/zinc/66/98/73/586669873.db2.gz NARHWXYUVIZCGD-CYBMUJFWSA-N 2 2 240.347 0.777 20 0 BCADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC3OCCO3)C2)C1 ZINC000815143645 586669875 /nfs/dbraw/zinc/66/98/75/586669875.db2.gz NARHWXYUVIZCGD-CYBMUJFWSA-N 2 2 240.347 0.777 20 0 BCADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC3OCCO3)C2)C1 ZINC000815143645 586669876 /nfs/dbraw/zinc/66/98/76/586669876.db2.gz NARHWXYUVIZCGD-CYBMUJFWSA-N 2 2 240.347 0.777 20 0 BCADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC3OCCO3)C2)C1 ZINC000815143645 586669878 /nfs/dbraw/zinc/66/98/78/586669878.db2.gz NARHWXYUVIZCGD-CYBMUJFWSA-N 2 2 240.347 0.777 20 0 BCADLP C[NH+](C)C(C)(C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000816840974 586767584 /nfs/dbraw/zinc/76/75/84/586767584.db2.gz KZOQDRZHOIVQJA-UHFFFAOYSA-N 2 2 224.308 0.409 20 0 BCADLP CC[C@H]([NH2+]CCS(=O)(=O)CC)[C@@H]1CCC[NH2+]1 ZINC000817891176 586832617 /nfs/dbraw/zinc/83/26/17/586832617.db2.gz HCOJCOYHJKQKAK-QWRGUYRKSA-N 2 2 248.392 0.541 20 0 BCADLP CCc1cc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])[nH]n1 ZINC000817891762 586833092 /nfs/dbraw/zinc/83/30/92/586833092.db2.gz GSPQPOIDMZDXBP-GHMZBOCLSA-N 2 2 208.309 0.942 20 0 BCADLP CCc1cc(C[NH2+][C@H]2CCC[C@H]2[NH3+])[nH]n1 ZINC000817891763 586833336 /nfs/dbraw/zinc/83/33/36/586833336.db2.gz GSPQPOIDMZDXBP-MNOVXSKESA-N 2 2 208.309 0.942 20 0 BCADLP COC[C@@H](CCC[NH3+])[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000817912130 586838574 /nfs/dbraw/zinc/83/85/74/586838574.db2.gz FOFUEIBBKCKXMT-CHWSQXEVSA-N 3 2 243.395 0.814 20 0 BCADLP COC[C@@H](CCC[NH3+])[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000817912130 586838576 /nfs/dbraw/zinc/83/85/76/586838576.db2.gz FOFUEIBBKCKXMT-CHWSQXEVSA-N 3 2 243.395 0.814 20 0 BCADLP CCCS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000818339969 586887315 /nfs/dbraw/zinc/88/73/15/586887315.db2.gz GRNHGNSNVUUUPH-GHMZBOCLSA-N 2 2 248.392 0.671 20 0 BCADLP O[C@H](C[NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000819039945 586927130 /nfs/dbraw/zinc/92/71/30/586927130.db2.gz VJZGYFFUIPACCU-QWHCGFSZSA-N 2 2 224.348 0.831 20 0 BCADLP O[C@H](C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000819039945 586927131 /nfs/dbraw/zinc/92/71/31/586927131.db2.gz VJZGYFFUIPACCU-QWHCGFSZSA-N 2 2 224.348 0.831 20 0 BCADLP C[C@H](C(=O)N1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000820295628 587041822 /nfs/dbraw/zinc/04/18/22/587041822.db2.gz MGPKINPEVCEHMA-VHSXEESVSA-N 2 2 213.325 0.099 20 0 BCADLP C[C@H](C(=O)N1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000820295628 587041824 /nfs/dbraw/zinc/04/18/24/587041824.db2.gz MGPKINPEVCEHMA-VHSXEESVSA-N 2 2 213.325 0.099 20 0 BCADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cnnn1C ZINC000820805851 587073772 /nfs/dbraw/zinc/07/37/72/587073772.db2.gz SRIVTUPCHOFPED-VIFPVBQESA-N 2 2 220.280 0.362 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cnnn1C ZINC000820810560 587074363 /nfs/dbraw/zinc/07/43/63/587074363.db2.gz ZGQDMIZZSQRFAT-GHMZBOCLSA-N 2 2 237.351 0.808 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cnnn1C ZINC000820810560 587074365 /nfs/dbraw/zinc/07/43/65/587074365.db2.gz ZGQDMIZZSQRFAT-GHMZBOCLSA-N 2 2 237.351 0.808 20 0 BCADLP O=C1OC[C@@H]2C[N@H+](CCCn3cc[nH+]c3)C[C@H]12 ZINC000860164840 589084997 /nfs/dbraw/zinc/08/49/97/589084997.db2.gz MJZFSQVVAGFPQD-QWRGUYRKSA-N 2 2 235.287 0.378 20 0 BCADLP O=C1OC[C@@H]2C[N@@H+](CCCn3cc[nH+]c3)C[C@H]12 ZINC000860164840 589084999 /nfs/dbraw/zinc/08/49/99/589084999.db2.gz MJZFSQVVAGFPQD-QWRGUYRKSA-N 2 2 235.287 0.378 20 0 BCADLP O=C(C[NH+]1CCCC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000822133138 587155787 /nfs/dbraw/zinc/15/57/87/587155787.db2.gz QHTZLQLHSAWJFU-NSHDSACASA-N 2 2 248.330 0.410 20 0 BCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000822133136 587155838 /nfs/dbraw/zinc/15/58/38/587155838.db2.gz QHTZLQLHSAWJFU-LLVKDONJSA-N 2 2 248.330 0.410 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000822154219 587156850 /nfs/dbraw/zinc/15/68/50/587156850.db2.gz BUXACCORPJVYBK-MNOVXSKESA-N 2 2 248.330 0.695 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000822154219 587156851 /nfs/dbraw/zinc/15/68/51/587156851.db2.gz BUXACCORPJVYBK-MNOVXSKESA-N 2 2 248.330 0.695 20 0 BCADLP Cn1c[nH+]cc1Cc1noc(C[C@H]2CC[NH2+]C2)n1 ZINC000822891146 587191437 /nfs/dbraw/zinc/19/14/37/587191437.db2.gz GWZFOULDSHPZBP-SECBINFHSA-N 2 2 247.302 0.546 20 0 BCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000823237295 587210567 /nfs/dbraw/zinc/21/05/67/587210567.db2.gz RBPNEVXMYAUXDY-GHMZBOCLSA-N 2 2 248.330 0.786 20 0 BCADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000823237295 587210568 /nfs/dbraw/zinc/21/05/68/587210568.db2.gz RBPNEVXMYAUXDY-GHMZBOCLSA-N 2 2 248.330 0.786 20 0 BCADLP C[C@@H]1C[NH+]=C(NC(=O)C[C@H]2CC[N@H+](C)C2)S1 ZINC000823807069 587241198 /nfs/dbraw/zinc/24/11/98/587241198.db2.gz PPCYAXMEASEUNW-RKDXNWHRSA-N 2 2 241.360 0.936 20 0 BCADLP C[C@@H]1C[NH+]=C(NC(=O)C[C@H]2CC[N@@H+](C)C2)S1 ZINC000823807069 587241199 /nfs/dbraw/zinc/24/11/99/587241199.db2.gz PPCYAXMEASEUNW-RKDXNWHRSA-N 2 2 241.360 0.936 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C[NH+]1CCCC1 ZINC000824354926 587267245 /nfs/dbraw/zinc/26/72/45/587267245.db2.gz ICUPUHBHJUELBL-UHFFFAOYSA-N 2 2 222.292 0.464 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C[NH+]1CCCC1 ZINC000824354926 587267247 /nfs/dbraw/zinc/26/72/47/587267247.db2.gz ICUPUHBHJUELBL-UHFFFAOYSA-N 2 2 222.292 0.464 20 0 BCADLP [NH3+][C@@H](CC(=O)NCCNc1cccc[nH+]1)C1CC1 ZINC000826555976 587354814 /nfs/dbraw/zinc/35/48/14/587354814.db2.gz XUOMYWBXXUMCAX-NSHDSACASA-N 2 2 248.330 0.737 20 0 BCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC000827256035 587374256 /nfs/dbraw/zinc/37/42/56/587374256.db2.gz VJICTANVUJYXIV-NEPJUHHUSA-N 2 2 248.330 0.436 20 0 BCADLP C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC000827256035 587374257 /nfs/dbraw/zinc/37/42/57/587374257.db2.gz VJICTANVUJYXIV-NEPJUHHUSA-N 2 2 248.330 0.436 20 0 BCADLP C[NH+](C)[C@@H]1CCC[N@H+](CC[S@@](C)=O)CC1 ZINC000828426647 587441740 /nfs/dbraw/zinc/44/17/40/587441740.db2.gz AZZVMUJDCNSJSX-IAQYHMDHSA-N 2 2 232.393 0.781 20 0 BCADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC[S@@](C)=O)CC1 ZINC000828426647 587441741 /nfs/dbraw/zinc/44/17/41/587441741.db2.gz AZZVMUJDCNSJSX-IAQYHMDHSA-N 2 2 232.393 0.781 20 0 BCADLP C[NH+](C)[C@H]1CCC[N@H+](CC[S@](C)=O)CC1 ZINC000828426649 587441800 /nfs/dbraw/zinc/44/18/00/587441800.db2.gz AZZVMUJDCNSJSX-NHYWBVRUSA-N 2 2 232.393 0.781 20 0 BCADLP C[NH+](C)[C@H]1CCC[N@@H+](CC[S@](C)=O)CC1 ZINC000828426649 587441802 /nfs/dbraw/zinc/44/18/02/587441802.db2.gz AZZVMUJDCNSJSX-NHYWBVRUSA-N 2 2 232.393 0.781 20 0 BCADLP C[N@H+](CC[S@@](C)=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000828525321 587447385 /nfs/dbraw/zinc/44/73/85/587447385.db2.gz NWWKLUKXWBKDAH-VILUFWDLSA-N 2 2 244.404 0.922 20 0 BCADLP C[N@@H+](CC[S@@](C)=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000828525321 587447386 /nfs/dbraw/zinc/44/73/86/587447386.db2.gz NWWKLUKXWBKDAH-VILUFWDLSA-N 2 2 244.404 0.922 20 0 BCADLP C[NH+](CC[S@@](C)=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000828525321 587447387 /nfs/dbraw/zinc/44/73/87/587447387.db2.gz NWWKLUKXWBKDAH-VILUFWDLSA-N 2 2 244.404 0.922 20 0 BCADLP C[NH+](CC[S@@](C)=O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000828525321 587447388 /nfs/dbraw/zinc/44/73/88/587447388.db2.gz NWWKLUKXWBKDAH-VILUFWDLSA-N 2 2 244.404 0.922 20 0 BCADLP CCC[N@H+](CC)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000829503446 587500932 /nfs/dbraw/zinc/50/09/32/587500932.db2.gz FIYYEWHSSYTIMP-UHFFFAOYSA-N 2 2 238.335 0.800 20 0 BCADLP CCC[N@@H+](CC)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000829503446 587500933 /nfs/dbraw/zinc/50/09/33/587500933.db2.gz FIYYEWHSSYTIMP-UHFFFAOYSA-N 2 2 238.335 0.800 20 0 BCADLP O=C([C@H]1CC[NH2+]1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000832140371 587646253 /nfs/dbraw/zinc/64/62/53/587646253.db2.gz NOUXCXOFMBYWCI-BDAKNGLRSA-N 2 2 220.276 0.435 20 0 BCADLP C[C@@H](C[NH3+])NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000834623080 587761494 /nfs/dbraw/zinc/76/14/94/587761494.db2.gz RSOZIMQQQPUGBJ-QMMMGPOBSA-N 2 2 249.305 0.427 20 0 BCADLP CCN(OC)C(=O)C[NH2+]C1CC[NH+](C)CC1 ZINC000842767950 588061395 /nfs/dbraw/zinc/06/13/95/588061395.db2.gz DNLKLHFXTKSENM-UHFFFAOYSA-N 2 2 229.324 0.080 20 0 BCADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)C1CC1 ZINC000843085982 588080528 /nfs/dbraw/zinc/08/05/28/588080528.db2.gz DUNDFTHBNUNBSE-OLZOCXBDSA-N 2 2 242.363 0.194 20 0 BCADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)C1CC1 ZINC000843085982 588080530 /nfs/dbraw/zinc/08/05/30/588080530.db2.gz DUNDFTHBNUNBSE-OLZOCXBDSA-N 2 2 242.363 0.194 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC000843126009 588084338 /nfs/dbraw/zinc/08/43/38/588084338.db2.gz MHYNXNIMVDYUHV-KKOKHZNYSA-N 3 2 211.353 0.857 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC000843126012 588084780 /nfs/dbraw/zinc/08/47/80/588084780.db2.gz MHYNXNIMVDYUHV-KXNHARMFSA-N 3 2 211.353 0.857 20 0 BCADLP Nc1ccc(NC(=O)C[C@H]([NH3+])C2CC2)c[nH+]1 ZINC000843334946 588100427 /nfs/dbraw/zinc/10/04/27/588100427.db2.gz GGWIJZNORCYOHA-VIFPVBQESA-N 2 2 220.276 0.730 20 0 BCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCCCC[NH3+] ZINC000843344033 588101447 /nfs/dbraw/zinc/10/14/47/588101447.db2.gz MQIXIQWDVLALHC-STQMWFEESA-N 3 2 243.395 0.862 20 0 BCADLP CCCCOC(=O)CC[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000843344536 588101917 /nfs/dbraw/zinc/10/19/17/588101917.db2.gz KDWNJPJFQPKWBY-SNVBAGLBSA-N 2 2 214.309 0.753 20 0 BCADLP CCCCOC(=O)CC[N@H+]1CC[C@@H]([NH3+])C1 ZINC000843344536 588101918 /nfs/dbraw/zinc/10/19/18/588101918.db2.gz KDWNJPJFQPKWBY-SNVBAGLBSA-N 2 2 214.309 0.753 20 0 BCADLP CCCOC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000843348597 588102244 /nfs/dbraw/zinc/10/22/44/588102244.db2.gz SGTJWRYDNRBUDW-VHSXEESVSA-N 2 2 214.309 0.609 20 0 BCADLP CCCOC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000843348597 588102245 /nfs/dbraw/zinc/10/22/45/588102245.db2.gz SGTJWRYDNRBUDW-VHSXEESVSA-N 2 2 214.309 0.609 20 0 BCADLP CCCOC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000843365178 588104199 /nfs/dbraw/zinc/10/41/99/588104199.db2.gz DOKIEBRZTWCRDC-VWYCJHECSA-N 2 2 228.336 0.997 20 0 BCADLP CCCOC(=O)[C@H](C)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000843365178 588104200 /nfs/dbraw/zinc/10/42/00/588104200.db2.gz DOKIEBRZTWCRDC-VWYCJHECSA-N 2 2 228.336 0.997 20 0 BCADLP CCCOC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000843381709 588105925 /nfs/dbraw/zinc/10/59/25/588105925.db2.gz GOTMLAUEFSYNQD-ZYHUDNBSSA-N 2 2 228.336 0.999 20 0 BCADLP CCCOC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000843381709 588105926 /nfs/dbraw/zinc/10/59/26/588105926.db2.gz GOTMLAUEFSYNQD-ZYHUDNBSSA-N 2 2 228.336 0.999 20 0 BCADLP CC[C@H]([NH3+])C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000843495805 588115509 /nfs/dbraw/zinc/11/55/09/588115509.db2.gz VXXKQJLRUSTVME-IUCAKERBSA-N 2 2 222.292 0.811 20 0 BCADLP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000843495807 588115568 /nfs/dbraw/zinc/11/55/68/588115568.db2.gz VXXKQJLRUSTVME-RKDXNWHRSA-N 2 2 222.292 0.811 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1c(C)noc1C ZINC000846218877 588260806 /nfs/dbraw/zinc/26/08/06/588260806.db2.gz XIANQCNAEQQHTJ-LBPRGKRZSA-N 2 2 241.335 0.694 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1c(C)noc1C ZINC000846218877 588260807 /nfs/dbraw/zinc/26/08/07/588260807.db2.gz XIANQCNAEQQHTJ-LBPRGKRZSA-N 2 2 241.335 0.694 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC2OCCO2)C1 ZINC000846838565 588292260 /nfs/dbraw/zinc/29/22/60/588292260.db2.gz PHVOVUIKCPVNJW-SNVBAGLBSA-N 2 2 237.303 0.582 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC2OCCO2)C1 ZINC000846838565 588292261 /nfs/dbraw/zinc/29/22/61/588292261.db2.gz PHVOVUIKCPVNJW-SNVBAGLBSA-N 2 2 237.303 0.582 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCOCC[C@@H]1C ZINC000846848749 588293161 /nfs/dbraw/zinc/29/31/61/588293161.db2.gz TUWCVAPHULXMCQ-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCOCC[C@@H]1C ZINC000846848749 588293162 /nfs/dbraw/zinc/29/31/62/588293162.db2.gz TUWCVAPHULXMCQ-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCOCC[C@@H]1C ZINC000846848749 588293163 /nfs/dbraw/zinc/29/31/63/588293163.db2.gz TUWCVAPHULXMCQ-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCOCC[C@@H]1C ZINC000846848749 588293164 /nfs/dbraw/zinc/29/31/64/588293164.db2.gz TUWCVAPHULXMCQ-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CCn1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000848723171 588408839 /nfs/dbraw/zinc/40/88/39/588408839.db2.gz XCPOQQLNXIFDKT-GHMZBOCLSA-N 2 2 237.351 0.966 20 0 BCADLP CC(C)[C@H](CNC(=[NH2+])N(C)C)[NH+]1CCOCC1 ZINC000848983807 588425075 /nfs/dbraw/zinc/42/50/75/588425075.db2.gz IMJVFBTUKYEVLD-NSHDSACASA-N 2 2 242.367 0.429 20 0 BCADLP CN(C)C(=[NH2+])NCCc1cn2c([nH+]1)CCCC2 ZINC000848992282 588427277 /nfs/dbraw/zinc/42/72/77/588427277.db2.gz HGTCXZRRSOFUJF-UHFFFAOYSA-N 2 2 235.335 0.848 20 0 BCADLP CNC(=[NH2+])NCC[NH+]1Cc2ccccc2C1 ZINC000848996954 588429331 /nfs/dbraw/zinc/42/93/31/588429331.db2.gz YHMMLKHYZHCUEZ-UHFFFAOYSA-N 2 2 218.304 0.746 20 0 BCADLP CN(C)C(=[NH2+])NCC[NH+]1CCSCC1 ZINC000849005910 588432636 /nfs/dbraw/zinc/43/26/36/588432636.db2.gz XYADJPBDPCAJER-UHFFFAOYSA-N 2 2 216.354 0.121 20 0 BCADLP [NH2+]=C(NCC[NH+]1CCC1)N1CCCCC1 ZINC000849014714 588436301 /nfs/dbraw/zinc/43/63/01/588436301.db2.gz ULRLCTOVFSJXFK-UHFFFAOYSA-N 2 2 210.325 0.702 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H](CO)C2CC2)n1C ZINC000850137015 588521455 /nfs/dbraw/zinc/52/14/55/588521455.db2.gz IFSVESMGEMAPDI-LLVKDONJSA-N 2 2 209.293 0.589 20 0 BCADLP COC(=O)N(C)CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000850390279 588543104 /nfs/dbraw/zinc/54/31/04/588543104.db2.gz TUFSQHKZMUQRSA-UWVGGRQHSA-N 2 2 229.324 0.224 20 0 BCADLP COC(=O)N(C)CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000850390279 588543105 /nfs/dbraw/zinc/54/31/05/588543105.db2.gz TUFSQHKZMUQRSA-UWVGGRQHSA-N 2 2 229.324 0.224 20 0 BCADLP CON(C)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000850479666 588550327 /nfs/dbraw/zinc/55/03/27/588550327.db2.gz AXFAHZNUQAXCGZ-WDEREUQCSA-N 2 2 227.352 0.694 20 0 BCADLP CON(C)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000850479666 588550328 /nfs/dbraw/zinc/55/03/28/588550328.db2.gz AXFAHZNUQAXCGZ-WDEREUQCSA-N 2 2 227.352 0.694 20 0 BCADLP CN(CC(C)(C)[NH3+])C(=O)NCc1c[nH+]cn1C ZINC000851661222 588613623 /nfs/dbraw/zinc/61/36/23/588613623.db2.gz HDLUNONKIYZPSZ-UHFFFAOYSA-N 2 2 239.323 0.299 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCOCC[C@@H]1C ZINC000851906603 588642098 /nfs/dbraw/zinc/64/20/98/588642098.db2.gz NALKLPNLSGDOHD-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCOCC[C@@H]1C ZINC000851906603 588642099 /nfs/dbraw/zinc/64/20/99/588642099.db2.gz NALKLPNLSGDOHD-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCOCC[C@@H]1C ZINC000851906603 588642100 /nfs/dbraw/zinc/64/21/00/588642100.db2.gz NALKLPNLSGDOHD-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCOCC[C@@H]1C ZINC000851906603 588642101 /nfs/dbraw/zinc/64/21/01/588642101.db2.gz NALKLPNLSGDOHD-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000851935597 588645720 /nfs/dbraw/zinc/64/57/20/588645720.db2.gz QHBSKRQPQRJRTC-JQWIXIFHSA-N 2 2 240.351 0.761 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000851935597 588645721 /nfs/dbraw/zinc/64/57/21/588645721.db2.gz QHBSKRQPQRJRTC-JQWIXIFHSA-N 2 2 240.351 0.761 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000851935599 588645849 /nfs/dbraw/zinc/64/58/49/588645849.db2.gz QHBSKRQPQRJRTC-ZYHUDNBSSA-N 2 2 240.351 0.761 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000851935599 588645850 /nfs/dbraw/zinc/64/58/50/588645850.db2.gz QHBSKRQPQRJRTC-ZYHUDNBSSA-N 2 2 240.351 0.761 20 0 BCADLP FC(F)OCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000851988395 588652458 /nfs/dbraw/zinc/65/24/58/588652458.db2.gz MQSRINZUSIQOEC-UHFFFAOYSA-N 2 2 246.261 0.771 20 0 BCADLP C[NH+](C)CC(C)(C)[NH2+]C[C@H]1CNC(=O)C1 ZINC000852155207 588667995 /nfs/dbraw/zinc/66/79/95/588667995.db2.gz BBBNTVONVNAKPO-SECBINFHSA-N 2 2 213.325 0.052 20 0 BCADLP CC[N@H+](CCc1ccccn1)C[C@@H]1C[NH2+]CCO1 ZINC000852746937 588698984 /nfs/dbraw/zinc/69/89/84/588698984.db2.gz VFJUERYPPDEJIY-AWEZNQCLSA-N 2 2 249.358 0.934 20 0 BCADLP CC[N@@H+](CCc1ccccn1)C[C@@H]1C[NH2+]CCO1 ZINC000852746937 588698985 /nfs/dbraw/zinc/69/89/85/588698985.db2.gz VFJUERYPPDEJIY-AWEZNQCLSA-N 2 2 249.358 0.934 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)CCCCC[NH3+] ZINC000852836480 588707161 /nfs/dbraw/zinc/70/71/61/588707161.db2.gz AEWZEDVQMUDUOS-UHFFFAOYSA-N 2 2 224.308 0.887 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)CCCCC[NH3+] ZINC000852836480 588707162 /nfs/dbraw/zinc/70/71/62/588707162.db2.gz AEWZEDVQMUDUOS-UHFFFAOYSA-N 2 2 224.308 0.887 20 0 BCADLP C[C@H]([NH3+])CN(C)C(=O)NCCCn1cc[nH+]c1 ZINC000861549227 589168214 /nfs/dbraw/zinc/16/82/14/589168214.db2.gz WHANTXBUHMLJIK-JTQLQIEISA-N 2 2 239.323 0.262 20 0 BCADLP CC(C)(C)CNC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000863539559 589296409 /nfs/dbraw/zinc/29/64/09/589296409.db2.gz FAXZWSVOBBAJNG-NSHDSACASA-N 2 2 241.379 0.819 20 0 BCADLP CC(C)(C)CNC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000863539559 589296410 /nfs/dbraw/zinc/29/64/10/589296410.db2.gz FAXZWSVOBBAJNG-NSHDSACASA-N 2 2 241.379 0.819 20 0 BCADLP COC(=O)C1=CC[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000863542313 589296975 /nfs/dbraw/zinc/29/69/75/589296975.db2.gz PCXJYVZOFNEBCT-DLOVCJGASA-N 2 2 238.331 0.836 20 0 BCADLP COC(=O)C(C)(C)CC[N@H+](C)C[C@H](C)[NH3+] ZINC000863651314 589307474 /nfs/dbraw/zinc/30/74/74/589307474.db2.gz GGQALWQDEPYHRI-VIFPVBQESA-N 2 2 216.325 0.855 20 0 BCADLP COC(=O)C(C)(C)CC[N@@H+](C)C[C@H](C)[NH3+] ZINC000863651314 589307476 /nfs/dbraw/zinc/30/74/76/589307476.db2.gz GGQALWQDEPYHRI-VIFPVBQESA-N 2 2 216.325 0.855 20 0 BCADLP COC(=O)c1cc(C[N@H+](C)C[C@@H](C)[NH3+])c[nH]1 ZINC000863653200 589307980 /nfs/dbraw/zinc/30/79/80/589307980.db2.gz FNPZILZKVBPENO-MRVPVSSYSA-N 2 2 225.292 0.580 20 0 BCADLP COC(=O)c1cc(C[N@@H+](C)C[C@@H](C)[NH3+])c[nH]1 ZINC000863653200 589307981 /nfs/dbraw/zinc/30/79/81/589307981.db2.gz FNPZILZKVBPENO-MRVPVSSYSA-N 2 2 225.292 0.580 20 0 BCADLP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2c[nH+]c[nH]2)C1 ZINC000864049488 589334405 /nfs/dbraw/zinc/33/44/05/589334405.db2.gz HPELOJRQZCCEKP-JGZJWPJOSA-N 3 2 208.309 0.840 20 0 BCADLP O[C@@H](C[NH2+]Cc1c[nH+]c[nH]1)[C@H]1CCCO1 ZINC000864049962 589334790 /nfs/dbraw/zinc/33/47/90/589334790.db2.gz PKYYCEXMCQLNLR-VHSXEESVSA-N 2 2 211.265 0.039 20 0 BCADLP [NH2+]=C(NCCC1CC1)NCCn1cc[nH+]c1 ZINC000864451937 589365168 /nfs/dbraw/zinc/36/51/68/589365168.db2.gz LODISUNBGZSMLL-UHFFFAOYSA-N 2 2 221.308 0.797 20 0 BCADLP CCC(CC)NC(=[NH2+])NCC[N@H+](C)CCOC ZINC000864457856 589368077 /nfs/dbraw/zinc/36/80/77/589368077.db2.gz VJFGIYCCJWFTMR-UHFFFAOYSA-N 2 2 244.383 0.867 20 0 BCADLP CCC(CC)NC(=[NH2+])NCC[N@@H+](C)CCOC ZINC000864457856 589368079 /nfs/dbraw/zinc/36/80/79/589368079.db2.gz VJFGIYCCJWFTMR-UHFFFAOYSA-N 2 2 244.383 0.867 20 0 BCADLP COCC[N@H+](C)CCNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864458140 589368115 /nfs/dbraw/zinc/36/81/15/589368115.db2.gz WZOLBKKXJNKSCL-ZJUUUORDSA-N 2 2 228.340 0.087 20 0 BCADLP COCC[N@@H+](C)CCNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864458140 589368116 /nfs/dbraw/zinc/36/81/16/589368116.db2.gz WZOLBKKXJNKSCL-ZJUUUORDSA-N 2 2 228.340 0.087 20 0 BCADLP Cc1nc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)nc(N)[nH+]1 ZINC000866210015 589480720 /nfs/dbraw/zinc/48/07/20/589480720.db2.gz XWVMZDODRAGSCV-ZJUUUORDSA-N 2 2 248.334 0.293 20 0 BCADLP Cc1nc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)nc(N)[nH+]1 ZINC000866210015 589480721 /nfs/dbraw/zinc/48/07/21/589480721.db2.gz XWVMZDODRAGSCV-ZJUUUORDSA-N 2 2 248.334 0.293 20 0 BCADLP Cc1nc(N)nc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)[nH+]1 ZINC000866210015 589480722 /nfs/dbraw/zinc/48/07/22/589480722.db2.gz XWVMZDODRAGSCV-ZJUUUORDSA-N 2 2 248.334 0.293 20 0 BCADLP Cc1nc(N)nc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)[nH+]1 ZINC000866210015 589480723 /nfs/dbraw/zinc/48/07/23/589480723.db2.gz XWVMZDODRAGSCV-ZJUUUORDSA-N 2 2 248.334 0.293 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)C[C@H]1CCc2ncnn21 ZINC000866668231 589507590 /nfs/dbraw/zinc/50/75/90/589507590.db2.gz NXQOUKXKZUINMQ-DTWKUNHWSA-N 2 2 209.297 0.044 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC000866668231 589507592 /nfs/dbraw/zinc/50/75/92/589507592.db2.gz NXQOUKXKZUINMQ-DTWKUNHWSA-N 2 2 209.297 0.044 20 0 BCADLP NC(=O)c1ccc(CC[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000866661417 589509056 /nfs/dbraw/zinc/50/90/56/589509056.db2.gz IXIIINXWGDHBKU-ZDUSSCGKSA-N 2 2 247.342 0.751 20 0 BCADLP NC(=O)c1ccc(CC[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000866661417 589509058 /nfs/dbraw/zinc/50/90/58/589509058.db2.gz IXIIINXWGDHBKU-ZDUSSCGKSA-N 2 2 247.342 0.751 20 0 BCADLP Cc1ccc(C[N@H+](C)C[C@H](O)C[NH3+])nc1Cl ZINC000866666362 589509900 /nfs/dbraw/zinc/50/99/00/589509900.db2.gz OFVOSLZZVGHOSO-SNVBAGLBSA-N 2 2 243.738 0.795 20 0 BCADLP Cc1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])nc1Cl ZINC000866666362 589509902 /nfs/dbraw/zinc/50/99/02/589509902.db2.gz OFVOSLZZVGHOSO-SNVBAGLBSA-N 2 2 243.738 0.795 20 0 BCADLP CCCOC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000866673133 589510889 /nfs/dbraw/zinc/51/08/89/589510889.db2.gz WQLPNAOCUWWCOC-OUAUKWLOSA-N 2 2 228.336 0.855 20 0 BCADLP CCCOC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000866673133 589510890 /nfs/dbraw/zinc/51/08/90/589510890.db2.gz WQLPNAOCUWWCOC-OUAUKWLOSA-N 2 2 228.336 0.855 20 0 BCADLP Cn1cc(CC[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)cn1 ZINC000866723562 589515739 /nfs/dbraw/zinc/51/57/39/589515739.db2.gz FXUOPIHUWVJSTG-CHWSQXEVSA-N 2 2 234.347 0.789 20 0 BCADLP Cn1cc(CC[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)cn1 ZINC000866723562 589515740 /nfs/dbraw/zinc/51/57/40/589515740.db2.gz FXUOPIHUWVJSTG-CHWSQXEVSA-N 2 2 234.347 0.789 20 0 BCADLP c1nc2n(n1)[C@H](C[N@@H+]1CCC[C@@H]3[NH2+]CC[C@@H]31)CC2 ZINC000866723308 589515798 /nfs/dbraw/zinc/51/57/98/589515798.db2.gz GLJBHCULXFXUNA-SRVKXCTJSA-N 2 2 247.346 0.592 20 0 BCADLP c1nc2n(n1)[C@H](C[N@H+]1CCC[C@@H]3[NH2+]CC[C@@H]31)CC2 ZINC000866723308 589515800 /nfs/dbraw/zinc/51/58/00/589515800.db2.gz GLJBHCULXFXUNA-SRVKXCTJSA-N 2 2 247.346 0.592 20 0 BCADLP Cn1ccc(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)cc1=O ZINC000866725975 589516468 /nfs/dbraw/zinc/51/64/68/589516468.db2.gz UGIBKQJQTIBLOX-CHWSQXEVSA-N 2 2 247.342 0.712 20 0 BCADLP Cn1ccc(C[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)cc1=O ZINC000866725975 589516469 /nfs/dbraw/zinc/51/64/69/589516469.db2.gz UGIBKQJQTIBLOX-CHWSQXEVSA-N 2 2 247.342 0.712 20 0 BCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000867998760 589543127 /nfs/dbraw/zinc/54/31/27/589543127.db2.gz GOBLJOFQSQAMSI-FRRDWIJNSA-N 2 2 245.326 0.637 20 0 BCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000867998760 589543128 /nfs/dbraw/zinc/54/31/28/589543128.db2.gz GOBLJOFQSQAMSI-FRRDWIJNSA-N 2 2 245.326 0.637 20 0 BCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000867998449 589543167 /nfs/dbraw/zinc/54/31/67/589543167.db2.gz CHZYLHCZGFKHKR-OLZOCXBDSA-N 2 2 245.326 0.651 20 0 BCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000867998449 589543170 /nfs/dbraw/zinc/54/31/70/589543170.db2.gz CHZYLHCZGFKHKR-OLZOCXBDSA-N 2 2 245.326 0.651 20 0 BCADLP C[C@@H]([NH3+])CC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000868037465 589545780 /nfs/dbraw/zinc/54/57/80/589545780.db2.gz TYAAJTYDCKUREK-MRVPVSSYSA-N 2 2 237.307 0.004 20 0 BCADLP C[C@@H]([NH3+])CC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000868037465 589545782 /nfs/dbraw/zinc/54/57/82/589545782.db2.gz TYAAJTYDCKUREK-MRVPVSSYSA-N 2 2 237.307 0.004 20 0 BCADLP [NH3+][C@H]1C[C@@H](CNC(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000870966920 589702729 /nfs/dbraw/zinc/70/27/29/589702729.db2.gz BUGUAIUUFYELLB-JGZJWPJOSA-N 2 2 244.298 0.801 20 0 BCADLP C[C@@H](C[NH3+])C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000871021648 589713862 /nfs/dbraw/zinc/71/38/62/589713862.db2.gz UKFLYUIDIYGTET-JTQLQIEISA-N 2 2 248.330 0.455 20 0 BCADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CC(C)(C)O ZINC000872201469 589890332 /nfs/dbraw/zinc/89/03/32/589890332.db2.gz BUPAHXHXEWVYIL-WDEREUQCSA-N 2 2 230.352 0.192 20 0 BCADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CC(C)(C)O ZINC000872201469 589890335 /nfs/dbraw/zinc/89/03/35/589890335.db2.gz BUPAHXHXEWVYIL-WDEREUQCSA-N 2 2 230.352 0.192 20 0 BCADLP Nc1ccc(NC(=O)[C@@]23C[C@@H]2C[C@@H]([NH3+])C3)c[nH+]1 ZINC000872256630 589901542 /nfs/dbraw/zinc/90/15/42/589901542.db2.gz YCDXMOJVZHIZTQ-JOAULVNJSA-N 2 2 232.287 0.730 20 0 BCADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccon1 ZINC000873046733 589981625 /nfs/dbraw/zinc/98/16/25/589981625.db2.gz PDBAXTUEHCWSJP-NSHDSACASA-N 2 2 238.335 0.400 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cnc(N)cn2)C1 ZINC000873201003 589993167 /nfs/dbraw/zinc/99/31/67/589993167.db2.gz IQJSQUWNZHUUNI-JTQLQIEISA-N 2 2 235.335 0.490 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cnc(N)cn2)C1 ZINC000873201003 589993170 /nfs/dbraw/zinc/99/31/70/589993170.db2.gz IQJSQUWNZHUUNI-JTQLQIEISA-N 2 2 235.335 0.490 20 0 BCADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cnc(N)cn2)CC1 ZINC000873207535 589993899 /nfs/dbraw/zinc/99/38/99/589993899.db2.gz FVEWAHSNFFCISK-LBPRGKRZSA-N 2 2 249.362 0.975 20 0 BCADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cnc(N)cn2)CC1 ZINC000873207535 589993900 /nfs/dbraw/zinc/99/39/00/589993900.db2.gz FVEWAHSNFFCISK-LBPRGKRZSA-N 2 2 249.362 0.975 20 0 BCADLP C[C@]1(C[NH3+])CC[N@H+](Cc2cnc(N)cn2)C1 ZINC000873210242 589994905 /nfs/dbraw/zinc/99/49/05/589994905.db2.gz ZVLPKXXHYFZTKK-LLVKDONJSA-N 2 2 221.308 0.230 20 0 BCADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cnc(N)cn2)C1 ZINC000873210242 589994906 /nfs/dbraw/zinc/99/49/06/589994906.db2.gz ZVLPKXXHYFZTKK-LLVKDONJSA-N 2 2 221.308 0.230 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cnc(N)cn1 ZINC000873214090 589997086 /nfs/dbraw/zinc/99/70/86/589997086.db2.gz XNWCGJNBHZNBAE-RKDXNWHRSA-N 2 2 221.308 0.370 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cnc(N)cn1 ZINC000873214090 589997087 /nfs/dbraw/zinc/99/70/87/589997087.db2.gz XNWCGJNBHZNBAE-RKDXNWHRSA-N 2 2 221.308 0.370 20 0 BCADLP C1O[C@@H]2[C@H]([NH2+][C@@H]3CCC[NH2+]C3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000873217814 589998115 /nfs/dbraw/zinc/99/81/15/589998115.db2.gz QWVRFUNVBVRUTP-NURVWSNCSA-N 2 2 222.332 0.751 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873234842 590003908 /nfs/dbraw/zinc/00/39/08/590003908.db2.gz IKFGGPMOVJPXGC-ZJUUUORDSA-N 2 2 227.352 0.618 20 0 BCADLP C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)C1C[NH2+]C1 ZINC000873248312 590006802 /nfs/dbraw/zinc/00/68/02/590006802.db2.gz CVFRXUPJIPWCTA-SFYZADRCSA-N 2 2 236.323 0.267 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000873253971 590009846 /nfs/dbraw/zinc/00/98/46/590009846.db2.gz IHOWCSVJMMMFAC-WISYIIOYSA-N 3 2 223.364 0.939 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000873253971 590009850 /nfs/dbraw/zinc/00/98/50/590009850.db2.gz IHOWCSVJMMMFAC-WISYIIOYSA-N 3 2 223.364 0.939 20 0 BCADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000873271978 590015956 /nfs/dbraw/zinc/01/59/56/590015956.db2.gz OBCOLGDCNRJSFB-GMXVVIOVSA-N 3 2 225.380 0.914 20 0 BCADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000873271978 590015957 /nfs/dbraw/zinc/01/59/57/590015957.db2.gz OBCOLGDCNRJSFB-GMXVVIOVSA-N 3 2 225.380 0.914 20 0 BCADLP Cc1nonc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000873295570 590023782 /nfs/dbraw/zinc/02/37/82/590023782.db2.gz KKSQJKDCRYXYAM-DTWKUNHWSA-N 2 2 210.281 0.738 20 0 BCADLP CC1(C)[C@H](C(=O)NCCn2cc[nH+]c2)C[C@@H]1[NH3+] ZINC000876709750 590232849 /nfs/dbraw/zinc/23/28/49/590232849.db2.gz ZKDVSAJIUWRDBX-UWVGGRQHSA-N 2 2 236.319 0.373 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876753564 590237634 /nfs/dbraw/zinc/23/76/34/590237634.db2.gz MHWXYTMIKFRWKL-DTWKUNHWSA-N 2 2 236.319 0.410 20 0 BCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000876755318 590238524 /nfs/dbraw/zinc/23/85/24/590238524.db2.gz XEOUXWJNPMBQMC-YIZUVKHSSA-N 2 2 248.330 0.448 20 0 BCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000876883016 590252762 /nfs/dbraw/zinc/25/27/62/590252762.db2.gz XUUNWTXYSVZSKF-NWRGJWMSSA-N 2 2 234.303 0.438 20 0 BCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000876883016 590252763 /nfs/dbraw/zinc/25/27/63/590252763.db2.gz XUUNWTXYSVZSKF-NWRGJWMSSA-N 2 2 234.303 0.438 20 0 BCADLP C[C@H]([NH3+])CN(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000877103521 590284327 /nfs/dbraw/zinc/28/43/27/590284327.db2.gz WMDBCDWNEKAKHE-VIFPVBQESA-N 2 2 232.287 0.754 20 0 BCADLP C[C@H]([NH3+])CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000877105700 590284956 /nfs/dbraw/zinc/28/49/56/590284956.db2.gz RIYCHMYLSDHSRT-UWVGGRQHSA-N 2 2 236.319 0.251 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1F ZINC000877179331 590297464 /nfs/dbraw/zinc/29/74/64/590297464.db2.gz RRORBPKMAYSPBL-HBNTYKKESA-N 2 2 245.342 0.662 20 0 BCADLP [NH3+]CC12CCC(CC1)N2C(=O)CCn1cc[nH+]c1 ZINC000877187581 590298617 /nfs/dbraw/zinc/29/86/17/590298617.db2.gz BYXDKDGBAKASTR-UHFFFAOYSA-N 2 2 248.330 0.756 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000877233265 590301664 /nfs/dbraw/zinc/30/16/64/590301664.db2.gz PUWDSFZTIQWSAM-ZWNMCFTASA-N 2 2 248.330 0.924 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877274306 590305575 /nfs/dbraw/zinc/30/55/75/590305575.db2.gz VAGRFMISDFGPQM-CMPLNLGQSA-N 2 2 248.330 0.614 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877285330 590306703 /nfs/dbraw/zinc/30/67/03/590306703.db2.gz ZJTYTNCFJWMVGD-NWDGAFQWSA-N 2 2 248.330 0.626 20 0 BCADLP CN(Cc1c[nH+]cn1C)[C@@H](C[NH3+])C1CC1 ZINC000126549383 590337418 /nfs/dbraw/zinc/33/74/18/590337418.db2.gz OLUSHNATWQEWGB-NSHDSACASA-N 2 2 208.309 0.589 20 0 BCADLP Cn1nncc1C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877742950 590409834 /nfs/dbraw/zinc/40/98/34/590409834.db2.gz HQDYLYFEGGCFFJ-CMPLNLGQSA-N 2 2 235.335 0.341 20 0 BCADLP Cn1nncc1C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877742950 590409835 /nfs/dbraw/zinc/40/98/35/590409835.db2.gz HQDYLYFEGGCFFJ-CMPLNLGQSA-N 2 2 235.335 0.341 20 0 BCADLP Cn1nncc1C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877742950 590409838 /nfs/dbraw/zinc/40/98/38/590409838.db2.gz HQDYLYFEGGCFFJ-CMPLNLGQSA-N 2 2 235.335 0.341 20 0 BCADLP Cn1nncc1C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877742950 590409841 /nfs/dbraw/zinc/40/98/41/590409841.db2.gz HQDYLYFEGGCFFJ-CMPLNLGQSA-N 2 2 235.335 0.341 20 0 BCADLP CC(=O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879568584 590806395 /nfs/dbraw/zinc/80/63/95/590806395.db2.gz BSZOQYBQVYZQGX-NWDGAFQWSA-N 2 2 210.321 0.992 20 0 BCADLP CC(=O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879568584 590806399 /nfs/dbraw/zinc/80/63/99/590806399.db2.gz BSZOQYBQVYZQGX-NWDGAFQWSA-N 2 2 210.321 0.992 20 0 BCADLP CC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879568584 590806402 /nfs/dbraw/zinc/80/64/02/590806402.db2.gz BSZOQYBQVYZQGX-NWDGAFQWSA-N 2 2 210.321 0.992 20 0 BCADLP CC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879568584 590806404 /nfs/dbraw/zinc/80/64/04/590806404.db2.gz BSZOQYBQVYZQGX-NWDGAFQWSA-N 2 2 210.321 0.992 20 0 BCADLP CC(=O)CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879568647 590807076 /nfs/dbraw/zinc/80/70/76/590807076.db2.gz BSZOQYBQVYZQGX-RYUDHWBXSA-N 2 2 210.321 0.992 20 0 BCADLP CC(=O)CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879568647 590807078 /nfs/dbraw/zinc/80/70/78/590807078.db2.gz BSZOQYBQVYZQGX-RYUDHWBXSA-N 2 2 210.321 0.992 20 0 BCADLP CC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879568647 590807079 /nfs/dbraw/zinc/80/70/79/590807079.db2.gz BSZOQYBQVYZQGX-RYUDHWBXSA-N 2 2 210.321 0.992 20 0 BCADLP CC(=O)CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879568647 590807081 /nfs/dbraw/zinc/80/70/81/590807081.db2.gz BSZOQYBQVYZQGX-RYUDHWBXSA-N 2 2 210.321 0.992 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](CCn3cc[nH+]c3)CC[C@@H]21 ZINC000879577331 590812533 /nfs/dbraw/zinc/81/25/33/590812533.db2.gz IOFOTHPKLBPGKM-OLZOCXBDSA-N 3 2 234.347 0.909 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](CCn3cc[nH+]c3)CC[C@@H]21 ZINC000879577331 590812536 /nfs/dbraw/zinc/81/25/36/590812536.db2.gz IOFOTHPKLBPGKM-OLZOCXBDSA-N 3 2 234.347 0.909 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](CCn3cc[nH+]c3)CC[C@@H]21 ZINC000879577331 590812538 /nfs/dbraw/zinc/81/25/38/590812538.db2.gz IOFOTHPKLBPGKM-OLZOCXBDSA-N 3 2 234.347 0.909 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](CCn3cc[nH+]c3)CC[C@@H]21 ZINC000879577331 590812541 /nfs/dbraw/zinc/81/25/41/590812541.db2.gz IOFOTHPKLBPGKM-OLZOCXBDSA-N 3 2 234.347 0.909 20 0 BCADLP C[N@@H+]1CC[C@@H]2CN(Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC000879582063 590820268 /nfs/dbraw/zinc/82/02/68/590820268.db2.gz PNJNRPOMQOLCKA-PWSUYJOCSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@H+]1CC[C@@H]2CN(Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC000879582063 590820271 /nfs/dbraw/zinc/82/02/71/590820271.db2.gz PNJNRPOMQOLCKA-PWSUYJOCSA-N 2 2 220.320 0.936 20 0 BCADLP CNC(=O)CC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880132021 590934825 /nfs/dbraw/zinc/93/48/25/590934825.db2.gz MGZIOEBGBKMFHP-MNOVXSKESA-N 2 2 225.336 0.291 20 0 BCADLP CNC(=O)CC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880132021 590934827 /nfs/dbraw/zinc/93/48/27/590934827.db2.gz MGZIOEBGBKMFHP-MNOVXSKESA-N 2 2 225.336 0.291 20 0 BCADLP CNC(=O)CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880132021 590934829 /nfs/dbraw/zinc/93/48/29/590934829.db2.gz MGZIOEBGBKMFHP-MNOVXSKESA-N 2 2 225.336 0.291 20 0 BCADLP CNC(=O)CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880132021 590934830 /nfs/dbraw/zinc/93/48/30/590934830.db2.gz MGZIOEBGBKMFHP-MNOVXSKESA-N 2 2 225.336 0.291 20 0 BCADLP CN(C)C(=O)CC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880132930 590935204 /nfs/dbraw/zinc/93/52/04/590935204.db2.gz RDMGQQYBVDBKOD-NEPJUHHUSA-N 2 2 239.363 0.633 20 0 BCADLP CN(C)C(=O)CC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880132930 590935207 /nfs/dbraw/zinc/93/52/07/590935207.db2.gz RDMGQQYBVDBKOD-NEPJUHHUSA-N 2 2 239.363 0.633 20 0 BCADLP CN(C)C(=O)CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880132930 590935211 /nfs/dbraw/zinc/93/52/11/590935211.db2.gz RDMGQQYBVDBKOD-NEPJUHHUSA-N 2 2 239.363 0.633 20 0 BCADLP CN(C)C(=O)CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880132930 590935213 /nfs/dbraw/zinc/93/52/13/590935213.db2.gz RDMGQQYBVDBKOD-NEPJUHHUSA-N 2 2 239.363 0.633 20 0 BCADLP COC[C@@H](O)C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880136168 590936145 /nfs/dbraw/zinc/93/61/45/590936145.db2.gz HFRVLBNTPYCYHT-SRVKXCTJSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@@H](O)C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880136168 590936148 /nfs/dbraw/zinc/93/61/48/590936148.db2.gz HFRVLBNTPYCYHT-SRVKXCTJSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@@H](O)C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880136168 590936150 /nfs/dbraw/zinc/93/61/50/590936150.db2.gz HFRVLBNTPYCYHT-SRVKXCTJSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@@H](O)C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880136168 590936152 /nfs/dbraw/zinc/93/61/52/590936152.db2.gz HFRVLBNTPYCYHT-SRVKXCTJSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@H](C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C)OC ZINC000880142923 590941333 /nfs/dbraw/zinc/94/13/33/590941333.db2.gz VZUYWGCZXBZWSB-AVGNSLFASA-N 2 2 242.363 0.816 20 0 BCADLP COC[C@H](C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C)OC ZINC000880142923 590941337 /nfs/dbraw/zinc/94/13/37/590941337.db2.gz VZUYWGCZXBZWSB-AVGNSLFASA-N 2 2 242.363 0.816 20 0 BCADLP COC[C@H](C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C)OC ZINC000880142923 590941341 /nfs/dbraw/zinc/94/13/41/590941341.db2.gz VZUYWGCZXBZWSB-AVGNSLFASA-N 2 2 242.363 0.816 20 0 BCADLP COC[C@H](C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C)OC ZINC000880142923 590941344 /nfs/dbraw/zinc/94/13/44/590941344.db2.gz VZUYWGCZXBZWSB-AVGNSLFASA-N 2 2 242.363 0.816 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC2(C1)OCCO2 ZINC000128278379 590955191 /nfs/dbraw/zinc/95/51/91/590955191.db2.gz MRGDMIPQDCTKCJ-GFCCVEGCSA-N 2 2 240.347 0.920 20 0 BCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC2(C1)OCCO2 ZINC000128278379 590955193 /nfs/dbraw/zinc/95/51/93/590955193.db2.gz MRGDMIPQDCTKCJ-GFCCVEGCSA-N 2 2 240.347 0.920 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC2(C1)OCCO2 ZINC000128278379 590955195 /nfs/dbraw/zinc/95/51/95/590955195.db2.gz MRGDMIPQDCTKCJ-GFCCVEGCSA-N 2 2 240.347 0.920 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC2(C1)OCCO2 ZINC000128278379 590955197 /nfs/dbraw/zinc/95/51/97/590955197.db2.gz MRGDMIPQDCTKCJ-GFCCVEGCSA-N 2 2 240.347 0.920 20 0 BCADLP C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)C(N)=O ZINC000128500417 591098178 /nfs/dbraw/zinc/09/81/78/591098178.db2.gz IUKRUMZNIRTXPZ-MRVPVSSYSA-N 2 2 218.260 0.298 20 0 BCADLP C[NH+](C)CC(=O)N1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC000880614072 591111109 /nfs/dbraw/zinc/11/11/09/591111109.db2.gz QGYYMBMRUCSXQL-NSHDSACASA-N 2 2 241.379 0.737 20 0 BCADLP C[NH+](C)CC(=O)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC000880614072 591111111 /nfs/dbraw/zinc/11/11/11/591111111.db2.gz QGYYMBMRUCSXQL-NSHDSACASA-N 2 2 241.379 0.737 20 0 BCADLP C[C@@H]([NH3+])c1cn(Cc2cc[nH+]c(N(C)C)c2)nn1 ZINC000881365364 591195936 /nfs/dbraw/zinc/19/59/36/591195936.db2.gz CNLSSKCLCIRTDI-SECBINFHSA-N 2 2 246.318 0.807 20 0 BCADLP Cc1[nH+]cnc(NC[C@H](O)C[NH+](C)C)c1C ZINC000881796151 591271605 /nfs/dbraw/zinc/27/16/05/591271605.db2.gz UKOHGXFGJYEIIA-JTQLQIEISA-N 2 2 224.308 0.428 20 0 BCADLP CC[N@@H+]1CC[C@H]1CNC(=O)C1([NH+](C)C)CC1 ZINC000882493562 591375029 /nfs/dbraw/zinc/37/50/29/591375029.db2.gz JGDSBULGSCMLLA-JTQLQIEISA-N 2 2 225.336 0.291 20 0 BCADLP CC[N@H+]1CC[C@H]1CNC(=O)C1([NH+](C)C)CC1 ZINC000882493562 591375033 /nfs/dbraw/zinc/37/50/33/591375033.db2.gz JGDSBULGSCMLLA-JTQLQIEISA-N 2 2 225.336 0.291 20 0 BCADLP [NH3+][C@H](CC(=O)NCc1c[nH+]c[nH]1)C1CC1 ZINC000129919042 591417879 /nfs/dbraw/zinc/41/78/79/591417879.db2.gz LAMCETCRPVSTOL-SECBINFHSA-N 2 2 208.265 0.153 20 0 BCADLP [NH3+][C@H](CC(=O)NCc1c[nH]c[nH+]1)C1CC1 ZINC000129919042 591417880 /nfs/dbraw/zinc/41/78/80/591417880.db2.gz LAMCETCRPVSTOL-SECBINFHSA-N 2 2 208.265 0.153 20 0 BCADLP C[N@H+](CC[NH2+][C@H]1CCSC1)CCOCCO ZINC000883348141 591623589 /nfs/dbraw/zinc/62/35/89/591623589.db2.gz IMQAUAYNDLKZHT-NSHDSACASA-N 2 2 248.392 0.022 20 0 BCADLP C[N@@H+](CC[NH2+][C@H]1CCSC1)CCOCCO ZINC000883348141 591623593 /nfs/dbraw/zinc/62/35/93/591623593.db2.gz IMQAUAYNDLKZHT-NSHDSACASA-N 2 2 248.392 0.022 20 0 BCADLP COCC[NH+](CCOC)C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883418909 591654120 /nfs/dbraw/zinc/65/41/20/591654120.db2.gz VOPMWYXJMRLBNN-QWRGUYRKSA-N 2 2 234.315 0.281 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)C[C@@H]1CCC2(CCOCC2)O1 ZINC000883418169 591654181 /nfs/dbraw/zinc/65/41/81/591654181.db2.gz ZOMQGJMBWDJWSU-NEPJUHHUSA-N 2 2 242.363 0.994 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)C[C@@H]1CCC2(CCOCC2)O1 ZINC000883418169 591654184 /nfs/dbraw/zinc/65/41/84/591654184.db2.gz ZOMQGJMBWDJWSU-NEPJUHHUSA-N 2 2 242.363 0.994 20 0 BCADLP [NH3+]CC[N@H+](CCO)C[C@H]1CCC2(CCCC2)O1 ZINC000883424741 591659374 /nfs/dbraw/zinc/65/93/74/591659374.db2.gz CDIUTEZZCFYPHA-GFCCVEGCSA-N 2 2 242.363 0.731 20 0 BCADLP [NH3+]CC[N@@H+](CCO)C[C@H]1CCC2(CCCC2)O1 ZINC000883424741 591659376 /nfs/dbraw/zinc/65/93/76/591659376.db2.gz CDIUTEZZCFYPHA-GFCCVEGCSA-N 2 2 242.363 0.731 20 0 BCADLP O=C1OCCN1CC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000883433345 591664453 /nfs/dbraw/zinc/66/44/53/591664453.db2.gz NWWUDEXXJFWBQV-UHFFFAOYSA-N 2 2 239.319 0.267 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCc2ncncc2C1 ZINC000883462496 591674026 /nfs/dbraw/zinc/67/40/26/591674026.db2.gz SKIJXLPUSDHFPJ-UHFFFAOYSA-N 2 2 206.293 0.444 20 0 BCADLP C[NH2+]CCC[N@H+]1CCc2ncncc2C1 ZINC000883462496 591674028 /nfs/dbraw/zinc/67/40/28/591674028.db2.gz SKIJXLPUSDHFPJ-UHFFFAOYSA-N 2 2 206.293 0.444 20 0 BCADLP CC1(C)C[NH2+]C[C@@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000884024862 591805997 /nfs/dbraw/zinc/80/59/97/591805997.db2.gz FJFWQVSNYLOWQB-SECBINFHSA-N 2 2 234.303 0.848 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCC[S@](C)=O)CC[N@@H+]1C ZINC000133881681 591865780 /nfs/dbraw/zinc/86/57/80/591865780.db2.gz OFGVQYIYCOQWNW-JRPNMDOOSA-N 2 2 232.393 0.827 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCC[S@](C)=O)CC[N@H+]1C ZINC000133881681 591865783 /nfs/dbraw/zinc/86/57/83/591865783.db2.gz OFGVQYIYCOQWNW-JRPNMDOOSA-N 2 2 232.393 0.827 20 0 BCADLP CCC(O)(CC)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000134044546 591877467 /nfs/dbraw/zinc/87/74/67/591877467.db2.gz HANNJVXRHKTKIC-NEPJUHHUSA-N 2 2 244.379 0.894 20 0 BCADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH3+])c[nH+]1 ZINC000884297894 591897981 /nfs/dbraw/zinc/89/79/81/591897981.db2.gz ZBFFJGLLDKZPHG-ZJUUUORDSA-N 2 2 238.335 0.779 20 0 BCADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH3+])c[nH+]1 ZINC000884297892 591898068 /nfs/dbraw/zinc/89/80/68/591898068.db2.gz ZBFFJGLLDKZPHG-UWVGGRQHSA-N 2 2 238.335 0.779 20 0 BCADLP Cc1cc[nH+]c(NCC[N@H+](C)CCO)c1 ZINC000884824716 592022526 /nfs/dbraw/zinc/02/25/26/592022526.db2.gz KBPLONAOONQXDF-UHFFFAOYSA-N 2 2 209.293 0.726 20 0 BCADLP Cc1cc[nH+]c(NCC[N@@H+](C)CCO)c1 ZINC000884824716 592022528 /nfs/dbraw/zinc/02/25/28/592022528.db2.gz KBPLONAOONQXDF-UHFFFAOYSA-N 2 2 209.293 0.726 20 0 BCADLP CCc1nc(NCC[N@@H+](C)CCO)cc[nH+]1 ZINC000884825967 592024020 /nfs/dbraw/zinc/02/40/20/592024020.db2.gz ANCSKXPDBHDGAY-UHFFFAOYSA-N 2 2 224.308 0.375 20 0 BCADLP Cc1n[nH]c(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1C ZINC000886065946 592142214 /nfs/dbraw/zinc/14/22/14/592142214.db2.gz ZLTWRTFJWYAKKE-LBPRGKRZSA-N 2 2 238.335 0.183 20 0 BCADLP Cc1n[nH]c(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1C ZINC000886065946 592142217 /nfs/dbraw/zinc/14/22/17/592142217.db2.gz ZLTWRTFJWYAKKE-LBPRGKRZSA-N 2 2 238.335 0.183 20 0 BCADLP COC(=O)[C@H]1CC[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000886489132 592236225 /nfs/dbraw/zinc/23/62/25/592236225.db2.gz AMEOQGCYPMMPHN-QWRGUYRKSA-N 2 2 237.303 0.814 20 0 BCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C1 ZINC000886522732 592244438 /nfs/dbraw/zinc/24/44/38/592244438.db2.gz PZCAVWWFYDVWJE-MXWKQRLJSA-N 2 2 228.336 0.868 20 0 BCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000886609395 592273157 /nfs/dbraw/zinc/27/31/57/592273157.db2.gz SBIGHKIZZWGPHY-HBNTYKKESA-N 2 2 228.336 0.868 20 0 BCADLP CCN(Cc1cc[nH+]c(N)c1)[C@@H]1CC[NH2+]C1 ZINC000886848638 592365836 /nfs/dbraw/zinc/36/58/36/592365836.db2.gz JQUXRRUVNZCYRO-LLVKDONJSA-N 2 2 220.320 0.848 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130237 592448674 /nfs/dbraw/zinc/44/86/74/592448674.db2.gz ABOCJVCJZYEGMX-GHMZBOCLSA-N 2 2 248.330 0.466 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130237 592448677 /nfs/dbraw/zinc/44/86/77/592448677.db2.gz ABOCJVCJZYEGMX-GHMZBOCLSA-N 2 2 248.330 0.466 20 0 BCADLP CNC(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887131394 592449162 /nfs/dbraw/zinc/44/91/62/592449162.db2.gz WNMUCDJCQONYAV-LLVKDONJSA-N 2 2 248.330 0.338 20 0 BCADLP CNC(=O)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887131394 592449165 /nfs/dbraw/zinc/44/91/65/592449165.db2.gz WNMUCDJCQONYAV-LLVKDONJSA-N 2 2 248.330 0.338 20 0 BCADLP Cn1c[nH+]c(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)c1 ZINC000890107042 592681291 /nfs/dbraw/zinc/68/12/91/592681291.db2.gz HCAKUYWJACTQQP-GFCCVEGCSA-N 2 2 248.330 0.663 20 0 BCADLP Cn1c[nH+]c(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)c1 ZINC000890107042 592681295 /nfs/dbraw/zinc/68/12/95/592681295.db2.gz HCAKUYWJACTQQP-GFCCVEGCSA-N 2 2 248.330 0.663 20 0 BCADLP Cc1nonc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000126965861 592725689 /nfs/dbraw/zinc/72/56/89/592725689.db2.gz SPTVXCGMARRAHR-IONNQARKSA-N 2 2 210.281 0.547 20 0 BCADLP Cc1nonc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000126965861 592725699 /nfs/dbraw/zinc/72/56/99/592725699.db2.gz SPTVXCGMARRAHR-IONNQARKSA-N 2 2 210.281 0.547 20 0 BCADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000925702982 634379553 /nfs/dbraw/zinc/37/95/53/634379553.db2.gz CBIBLYBGMHQXNV-SZQBSXBZSA-N 3 2 239.363 0.080 20 0 BCADLP CC(C)C[C@H](O)C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000226071672 635422080 /nfs/dbraw/zinc/42/20/80/635422080.db2.gz NXOKYZARKXKIED-XQQFMLRXSA-N 2 2 244.379 0.750 20 0 BCADLP CCO[C@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)C[NH+](C)C ZINC000925838767 635502310 /nfs/dbraw/zinc/50/23/10/635502310.db2.gz NVASNCJEOFBEJE-YNEHKIRRSA-N 3 2 243.395 0.541 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CNOC2)[C@@H](C)C1 ZINC000925864620 635563725 /nfs/dbraw/zinc/56/37/25/635563725.db2.gz JQZRJOIXJHUEAG-HBNTYKKESA-N 2 2 213.325 0.210 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CNOC2)[C@@H](C)C1 ZINC000925864620 635563729 /nfs/dbraw/zinc/56/37/29/635563729.db2.gz JQZRJOIXJHUEAG-HBNTYKKESA-N 2 2 213.325 0.210 20 0 BCADLP c1ccc([C@H]2C[C@H]([NH2+][C@H]3CNOC3)CC[NH2+]2)cc1 ZINC000925865437 635566399 /nfs/dbraw/zinc/56/63/99/635566399.db2.gz RAQMBANDAKEEMP-HZSPNIEDSA-N 2 2 247.342 0.973 20 0 BCADLP CC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972427044 632031172 /nfs/dbraw/zinc/03/11/72/632031172.db2.gz SOCKGYZJVDUXMY-NSHDSACASA-N 2 2 236.319 0.505 20 0 BCADLP CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972427044 632031176 /nfs/dbraw/zinc/03/11/76/632031176.db2.gz SOCKGYZJVDUXMY-NSHDSACASA-N 2 2 236.319 0.505 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001023159176 632403280 /nfs/dbraw/zinc/40/32/80/632403280.db2.gz SNOJNWJNVPXSOJ-TXEJJXNPSA-N 2 2 248.330 0.530 20 0 BCADLP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001023160926 632405196 /nfs/dbraw/zinc/40/51/96/632405196.db2.gz HMEQSNISBLXEPX-PHIMTYICSA-N 2 2 236.319 0.528 20 0 BCADLP OCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924536920 632771104 /nfs/dbraw/zinc/77/11/04/632771104.db2.gz VGXBASWNRSLZIG-RYUDHWBXSA-N 2 2 212.337 0.975 20 0 BCADLP OCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924536920 632771112 /nfs/dbraw/zinc/77/11/12/632771112.db2.gz VGXBASWNRSLZIG-RYUDHWBXSA-N 2 2 212.337 0.975 20 0 BCADLP OCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924536918 632771300 /nfs/dbraw/zinc/77/13/00/632771300.db2.gz VGXBASWNRSLZIG-NEPJUHHUSA-N 2 2 212.337 0.975 20 0 BCADLP OCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924536918 632771311 /nfs/dbraw/zinc/77/13/11/632771311.db2.gz VGXBASWNRSLZIG-NEPJUHHUSA-N 2 2 212.337 0.975 20 0 BCADLP [NH3+][C@H](CC(=O)NCCc1[nH]cc[nH+]1)C1CC1 ZINC000164185187 633072307 /nfs/dbraw/zinc/07/23/07/633072307.db2.gz AWYYTMANJLEMHD-SECBINFHSA-N 2 2 222.292 0.196 20 0 BCADLP C[C@@H]1[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000928445456 635948636 /nfs/dbraw/zinc/94/86/36/635948636.db2.gz YLSCNTZACWUHPU-ZJUUUORDSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@@H]1[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000928445456 635948640 /nfs/dbraw/zinc/94/86/40/635948640.db2.gz YLSCNTZACWUHPU-ZJUUUORDSA-N 2 2 236.319 0.551 20 0 BCADLP C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000928555254 636092359 /nfs/dbraw/zinc/09/23/59/636092359.db2.gz MNQROLWCTGRGHW-GHMZBOCLSA-N 2 2 248.330 0.266 20 0 BCADLP C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000928555254 636092360 /nfs/dbraw/zinc/09/23/60/636092360.db2.gz MNQROLWCTGRGHW-GHMZBOCLSA-N 2 2 248.330 0.266 20 0 BCADLP C[N@@H+]1CC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000928556004 636094904 /nfs/dbraw/zinc/09/49/04/636094904.db2.gz MVDIIGIUNBDUPI-SECBINFHSA-N 2 2 222.292 0.163 20 0 BCADLP C[N@H+]1CC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000928556004 636094905 /nfs/dbraw/zinc/09/49/05/636094905.db2.gz MVDIIGIUNBDUPI-SECBINFHSA-N 2 2 222.292 0.163 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](CCC2SCCS2)CCO1 ZINC000853023180 633799172 /nfs/dbraw/zinc/79/91/72/633799172.db2.gz PFEARMIMJFFWMT-VIFPVBQESA-N 2 2 248.417 0.842 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](CCC2SCCS2)CCO1 ZINC000853023180 633799175 /nfs/dbraw/zinc/79/91/75/633799175.db2.gz PFEARMIMJFFWMT-VIFPVBQESA-N 2 2 248.417 0.842 20 0 BCADLP CSCC[C@H](C)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925508058 633841788 /nfs/dbraw/zinc/84/17/88/633841788.db2.gz DGEKNGALDUXHPA-UWVGGRQHSA-N 2 2 218.366 0.706 20 0 BCADLP C[C@@H]1COCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309982504 634026713 /nfs/dbraw/zinc/02/67/13/634026713.db2.gz BWBNESQQSGYCSK-STQMWFEESA-N 2 2 242.363 0.411 20 0 BCADLP C[C@@H]1COCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309982504 634026721 /nfs/dbraw/zinc/02/67/21/634026721.db2.gz BWBNESQQSGYCSK-STQMWFEESA-N 2 2 242.363 0.411 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925607173 634136143 /nfs/dbraw/zinc/13/61/43/634136143.db2.gz AGJFSFKJSVRZBM-SDDRHHMPSA-N 3 2 243.395 0.405 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCOC[C@@H](C)C1 ZINC000310537867 634161726 /nfs/dbraw/zinc/16/17/26/634161726.db2.gz PSJPIXUZUQLTGT-STQMWFEESA-N 2 2 244.379 0.656 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCOC[C@@H](C)C1 ZINC000310537867 634161731 /nfs/dbraw/zinc/16/17/31/634161731.db2.gz PSJPIXUZUQLTGT-STQMWFEESA-N 2 2 244.379 0.656 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCOC[C@@H](C)C1 ZINC000310537867 634161733 /nfs/dbraw/zinc/16/17/33/634161733.db2.gz PSJPIXUZUQLTGT-STQMWFEESA-N 2 2 244.379 0.656 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCOC[C@@H](C)C1 ZINC000310537867 634161738 /nfs/dbraw/zinc/16/17/38/634161738.db2.gz PSJPIXUZUQLTGT-STQMWFEESA-N 2 2 244.379 0.656 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCOCC(F)F ZINC000925650168 634207055 /nfs/dbraw/zinc/20/70/55/634207055.db2.gz RNHQITMJEDVTQS-QMMMGPOBSA-N 2 2 222.279 0.998 20 0 BCADLP C[C@@H]1CC(C[NH2+][C@@H]2C[NH2+]CCOC2)C[C@@H](C)O1 ZINC000925654449 634216577 /nfs/dbraw/zinc/21/65/77/634216577.db2.gz MNRQRAFHXLXBDN-NQBHXWOUSA-N 2 2 242.363 0.768 20 0 BCADLP FC(F)OCCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925666212 634240057 /nfs/dbraw/zinc/24/00/57/634240057.db2.gz OVCDLUGFFGTPMC-MRVPVSSYSA-N 2 2 224.251 0.194 20 0 BCADLP C[N@H+](CCCC[NH2+][C@H]1C[NH2+]CCOC1)C1CC1 ZINC000925684024 634291862 /nfs/dbraw/zinc/29/18/62/634291862.db2.gz DANNYVANBPYFGB-LBPRGKRZSA-N 3 2 241.379 0.439 20 0 BCADLP C[N@@H+](CCCC[NH2+][C@H]1C[NH2+]CCOC1)C1CC1 ZINC000925684024 634291872 /nfs/dbraw/zinc/29/18/72/634291872.db2.gz DANNYVANBPYFGB-LBPRGKRZSA-N 3 2 241.379 0.439 20 0 BCADLP COCC[C@@H](C)C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925687155 634302852 /nfs/dbraw/zinc/30/28/52/634302852.db2.gz ZLBNGWPEOZJVMV-MNOVXSKESA-N 2 2 216.325 0.237 20 0 BCADLP CCS(=O)(=O)CCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925688038 634305219 /nfs/dbraw/zinc/30/52/19/634305219.db2.gz DMSPUVAELXVAAC-JTQLQIEISA-N 2 2 248.392 0.541 20 0 BCADLP OC[C@@H]1CCC[C@H]([NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925695180 634343785 /nfs/dbraw/zinc/34/37/85/634343785.db2.gz WYGYBXJODSAVIB-WOPDTQHZSA-N 2 2 228.336 0.116 20 0 BCADLP C[N@H+]1C[C@H]2CN(c3nccn4c[nH+]cc34)C[C@H]2C1 ZINC000893549584 635141990 /nfs/dbraw/zinc/14/19/90/635141990.db2.gz YCXSRCOAZCPITM-PHIMTYICSA-N 2 2 243.314 0.727 20 0 BCADLP C[N@@H+]1C[C@H]2CN(c3nccn4c[nH+]cc34)C[C@H]2C1 ZINC000893549584 635141992 /nfs/dbraw/zinc/14/19/92/635141992.db2.gz YCXSRCOAZCPITM-PHIMTYICSA-N 2 2 243.314 0.727 20 0 BCADLP CN(C)c1cc(N[C@@H]2CC[NH2+]C2)nc[nH+]1 ZINC000258640646 635179405 /nfs/dbraw/zinc/17/94/05/635179405.db2.gz LUJRZLSCEROYOU-MRVPVSSYSA-N 2 2 207.281 0.316 20 0 BCADLP CC1(C)CO[C@@H](CC[NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925775453 635249870 /nfs/dbraw/zinc/24/98/70/635249870.db2.gz QLLZZXINEZXTBO-NEPJUHHUSA-N 2 2 242.363 0.770 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000925779035 635268287 /nfs/dbraw/zinc/26/82/87/635268287.db2.gz LHTIXFHRMLTICK-FVCCEPFGSA-N 3 2 241.379 0.613 20 0 BCADLP O=C([C@H]1CCC[NH2+]1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000169813044 636575458 /nfs/dbraw/zinc/57/54/58/636575458.db2.gz ZHPAQKBRMLQGIZ-WDEREUQCSA-N 2 2 248.330 0.868 20 0 BCADLP CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC000987266381 636645320 /nfs/dbraw/zinc/64/53/20/636645320.db2.gz JYCSDKGGTOPACY-ZJUUUORDSA-N 2 2 236.319 0.551 20 0 BCADLP CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000989610909 636867573 /nfs/dbraw/zinc/86/75/73/636867573.db2.gz FZWBZNUHXUVSQG-VHSXEESVSA-N 2 2 236.319 0.551 20 0 BCADLP CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000989857871 636886028 /nfs/dbraw/zinc/88/60/28/636886028.db2.gz UAXUUEAKRGIGTM-MNOVXSKESA-N 2 2 236.319 0.482 20 0 BCADLP C[NH2+]C[C@@H]1CCCCN1CC[NH+]1CCOCC1 ZINC000042407847 637229761 /nfs/dbraw/zinc/22/97/61/637229761.db2.gz MMLGSRMNRZDHGZ-ZDUSSCGKSA-N 2 2 241.379 0.393 20 0 BCADLP COCCC[N@H+](CCOC)C[C@H]1CCC[NH2+]1 ZINC000042425400 637244222 /nfs/dbraw/zinc/24/42/22/637244222.db2.gz VIGYWRXRVBXPHC-GFCCVEGCSA-N 2 2 230.352 0.723 20 0 BCADLP COCCC[N@@H+](CCOC)C[C@H]1CCC[NH2+]1 ZINC000042425400 637244231 /nfs/dbraw/zinc/24/42/31/637244231.db2.gz VIGYWRXRVBXPHC-GFCCVEGCSA-N 2 2 230.352 0.723 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCCON)C[N@@H+]1C1CC1 ZINC000902418919 637303685 /nfs/dbraw/zinc/30/36/85/637303685.db2.gz OSRVJIFZTXNREU-UWVGGRQHSA-N 2 2 213.325 0.482 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCCON)C[N@H+]1C1CC1 ZINC000902418919 637303692 /nfs/dbraw/zinc/30/36/92/637303692.db2.gz OSRVJIFZTXNREU-UWVGGRQHSA-N 2 2 213.325 0.482 20 0 BCADLP Cn1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)n1 ZINC000903788849 637381296 /nfs/dbraw/zinc/38/12/96/637381296.db2.gz RDGPMQSXHYLEFF-WDEREUQCSA-N 2 2 220.320 0.461 20 0 BCADLP Cn1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)n1 ZINC000903788849 637381306 /nfs/dbraw/zinc/38/13/06/637381306.db2.gz RDGPMQSXHYLEFF-WDEREUQCSA-N 2 2 220.320 0.461 20 0 BCADLP C[C@@H]1C[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@H]1[NH3+] ZINC000903789079 637384579 /nfs/dbraw/zinc/38/45/79/637384579.db2.gz UGMJRCISYXXQQE-FDYHWXHSSA-N 3 2 239.363 0.034 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@H]1[NH3+] ZINC000903789079 637384584 /nfs/dbraw/zinc/38/45/84/637384584.db2.gz UGMJRCISYXXQQE-FDYHWXHSSA-N 3 2 239.363 0.034 20 0 BCADLP CCc1nn(C)cc1C[NH2+]CC1([NH3+])CC1 ZINC000904448571 637413845 /nfs/dbraw/zinc/41/38/45/637413845.db2.gz BNYUZCGRIQXBHK-UHFFFAOYSA-N 2 2 208.309 0.563 20 0 BCADLP Cc1nn(C)c(C)c1C[NH2+]CC1([NH3+])CC1 ZINC000904450906 637417310 /nfs/dbraw/zinc/41/73/10/637417310.db2.gz UCEINRJFDKCEPT-UHFFFAOYSA-N 2 2 208.309 0.618 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@](C)(O)C(F)F ZINC000905047983 637567561 /nfs/dbraw/zinc/56/75/61/637567561.db2.gz WDTGHLNPDTUADJ-PSASIEDQSA-N 2 2 233.262 0.877 20 0 BCADLP CC(C)[NH2+]Cc1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000905057838 637592662 /nfs/dbraw/zinc/59/26/62/637592662.db2.gz ZGFJHVZAMQHQQX-UHFFFAOYSA-N 2 2 247.302 0.653 20 0 BCADLP [NH3+]C1(c2noc(C3([NH3+])CCCC3)n2)CC1 ZINC000905314328 637741807 /nfs/dbraw/zinc/74/18/07/637741807.db2.gz GUZOVETYZHJXQD-UHFFFAOYSA-N 2 2 208.265 0.745 20 0 BCADLP C[C@@H]([NH2+]C1CC1)c1nc(C2([NH3+])CC2)no1 ZINC000905325753 637758055 /nfs/dbraw/zinc/75/80/55/637758055.db2.gz XPVBAUCKJAZTTD-ZCFIWIBFSA-N 2 2 208.265 0.830 20 0 BCADLP CN(C)c1cc(N2CC3CC2(C[NH3+])C3)nc[nH+]1 ZINC000905640998 637880096 /nfs/dbraw/zinc/88/00/96/637880096.db2.gz ZCDAZXMEJFLDNS-UHFFFAOYSA-N 2 2 233.319 0.470 20 0 BCADLP [NH3+]C1CC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000906510411 638183470 /nfs/dbraw/zinc/18/34/70/638183470.db2.gz IBJBOIAAYDHPEH-UDSBESMDSA-N 3 2 223.364 0.986 20 0 BCADLP C[NH+](C)C1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000908011508 638546618 /nfs/dbraw/zinc/54/66/18/638546618.db2.gz GBMDILRXAGSVIX-UHFFFAOYSA-N 2 2 222.292 0.161 20 0 BCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C(F)F)C1 ZINC000911636375 639679433 /nfs/dbraw/zinc/67/94/33/639679433.db2.gz XAUHCKKKSCVTJM-IUCAKERBSA-N 2 2 249.305 0.427 20 0 BCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC000911636374 639679821 /nfs/dbraw/zinc/67/98/21/639679821.db2.gz XAUHCKKKSCVTJM-DTWKUNHWSA-N 2 2 249.305 0.427 20 0 BCADLP [NH3+][C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000911620702 639683351 /nfs/dbraw/zinc/68/33/51/639683351.db2.gz RYMUUDWGRSTUOG-QWRGUYRKSA-N 2 2 248.330 0.395 20 0 BCADLP [NH3+][C@H](CC(=O)NCC1CC[NH2+]CC1)C(F)F ZINC000911672793 639698460 /nfs/dbraw/zinc/69/84/60/639698460.db2.gz NMVYNLVUAHFYCQ-MRVPVSSYSA-N 2 2 235.278 0.085 20 0 BCADLP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000911674557 639714681 /nfs/dbraw/zinc/71/46/81/639714681.db2.gz UONNHXAVPCVZDU-WDEREUQCSA-N 2 2 248.330 0.314 20 0 BCADLP C[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911677964 639719802 /nfs/dbraw/zinc/71/98/02/639719802.db2.gz PSLZDDZYDBBMJO-SNVBAGLBSA-N 2 2 236.319 0.171 20 0 BCADLP CC[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000911687038 639724648 /nfs/dbraw/zinc/72/46/48/639724648.db2.gz BLNXANVJKAGYQS-UHFFFAOYSA-N 2 2 210.281 0.068 20 0 BCADLP C[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)[C@H]1CCC[NH2+]C1 ZINC000911725667 639750937 /nfs/dbraw/zinc/75/09/37/639750937.db2.gz OFEIEQYPNNBLAE-XHNCKOQMSA-N 2 2 249.305 0.473 20 0 BCADLP O=C(NCC[NH2+]C1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000911756027 639770980 /nfs/dbraw/zinc/77/09/80/639770980.db2.gz WNUUZWJUBSBQFP-JTQLQIEISA-N 2 2 248.330 0.314 20 0 BCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911752644 639782434 /nfs/dbraw/zinc/78/24/34/639782434.db2.gz XJZXHWLUBRAABE-UWVGGRQHSA-N 2 2 236.319 0.457 20 0 BCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911752644 639782440 /nfs/dbraw/zinc/78/24/40/639782440.db2.gz XJZXHWLUBRAABE-UWVGGRQHSA-N 2 2 236.319 0.457 20 0 BCADLP C[C@](C[NH3+])(NC(=O)C[C@H]([NH3+])C(F)F)C1CC1 ZINC000911802343 639824548 /nfs/dbraw/zinc/82/45/48/639824548.db2.gz JCYVLGXQXPKZNS-OIBJUYFYSA-N 2 2 235.278 0.213 20 0 BCADLP CC(C)[C@H]([NH3+])CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000911826180 639837637 /nfs/dbraw/zinc/83/76/37/639837637.db2.gz LTMWSCVYIFPMDI-GXSJLCMTSA-N 2 2 238.335 0.688 20 0 BCADLP CC(C)[C@H]([NH3+])CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000911826180 639837640 /nfs/dbraw/zinc/83/76/40/639837640.db2.gz LTMWSCVYIFPMDI-GXSJLCMTSA-N 2 2 238.335 0.688 20 0 BCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000911836513 639847322 /nfs/dbraw/zinc/84/73/22/639847322.db2.gz ZMVWGEMCKGVOFL-GMTAPVOTSA-N 2 2 248.330 0.377 20 0 BCADLP CN(CC(C)(C)C[NH3+])C(=O)C[C@@H]([NH3+])C(F)F ZINC000911868724 639853404 /nfs/dbraw/zinc/85/34/04/639853404.db2.gz SOMUGNBKJZMLBF-SSDOTTSWSA-N 2 2 237.294 0.412 20 0 BCADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1c[nH+]cn1C ZINC000931046880 640041012 /nfs/dbraw/zinc/04/10/12/640041012.db2.gz WUGIZECMADPXBB-PWSUYJOCSA-N 2 2 222.336 0.945 20 0 BCADLP Cn1cc(CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cn1 ZINC000931278372 640127615 /nfs/dbraw/zinc/12/76/15/640127615.db2.gz AMQFMMJNXHDLOK-ITGUQSILSA-N 2 2 234.347 0.454 20 0 BCADLP Cn1cc(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cn1 ZINC000931278372 640127624 /nfs/dbraw/zinc/12/76/24/640127624.db2.gz AMQFMMJNXHDLOK-ITGUQSILSA-N 2 2 234.347 0.454 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H]3COC(C)(C)O3)C[C@H]21 ZINC000931277989 640128236 /nfs/dbraw/zinc/12/82/36/640128236.db2.gz VCJYVHMFKWILMS-NNYUYHANSA-N 2 2 240.347 0.630 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H]3COC(C)(C)O3)C[C@H]21 ZINC000931277989 640128237 /nfs/dbraw/zinc/12/82/37/640128237.db2.gz VCJYVHMFKWILMS-NNYUYHANSA-N 2 2 240.347 0.630 20 0 BCADLP CCOCC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278163 640129893 /nfs/dbraw/zinc/12/98/93/640129893.db2.gz ZDHIBIKZAKRAQB-NDBYEHHHSA-N 2 2 242.363 0.266 20 0 BCADLP CCOCC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278163 640129897 /nfs/dbraw/zinc/12/98/97/640129897.db2.gz ZDHIBIKZAKRAQB-NDBYEHHHSA-N 2 2 242.363 0.266 20 0 BCADLP CC(C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[NH2+]1 ZINC000912767579 640202038 /nfs/dbraw/zinc/20/20/38/640202038.db2.gz MTZAGAKIDHNQOT-LLVKDONJSA-N 2 2 236.319 0.409 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931435408 640202124 /nfs/dbraw/zinc/20/21/24/640202124.db2.gz APGHPQHERDXMIK-OLZOCXBDSA-N 3 2 248.374 0.846 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931435408 640202131 /nfs/dbraw/zinc/20/21/31/640202131.db2.gz APGHPQHERDXMIK-OLZOCXBDSA-N 3 2 248.374 0.846 20 0 BCADLP Cn1c[nH+]cc1CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931435408 640202139 /nfs/dbraw/zinc/20/21/39/640202139.db2.gz APGHPQHERDXMIK-OLZOCXBDSA-N 3 2 248.374 0.846 20 0 BCADLP Cn1c[nH+]cc1CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931435408 640202145 /nfs/dbraw/zinc/20/21/45/640202145.db2.gz APGHPQHERDXMIK-OLZOCXBDSA-N 3 2 248.374 0.846 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912910503 640236414 /nfs/dbraw/zinc/23/64/14/640236414.db2.gz ZQRGLBJOKAAIQR-LLVKDONJSA-N 2 2 248.330 0.567 20 0 BCADLP COCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931510583 640243759 /nfs/dbraw/zinc/24/37/59/640243759.db2.gz WKZNPDYWBFVAMZ-UHFFFAOYSA-N 2 2 207.277 0.668 20 0 BCADLP COCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931510583 640243765 /nfs/dbraw/zinc/24/37/65/640243765.db2.gz WKZNPDYWBFVAMZ-UHFFFAOYSA-N 2 2 207.277 0.668 20 0 BCADLP Nc1cc[nH+]c2c1C[N@H+](C[C@H]1CCC(=O)O1)CC2 ZINC000931517743 640244787 /nfs/dbraw/zinc/24/47/87/640244787.db2.gz KYUUJCHUJOMDEB-SECBINFHSA-N 2 2 247.298 0.728 20 0 BCADLP Nc1cc[nH+]c2c1C[N@@H+](C[C@H]1CCC(=O)O1)CC2 ZINC000931517743 640244792 /nfs/dbraw/zinc/24/47/92/640244792.db2.gz KYUUJCHUJOMDEB-SECBINFHSA-N 2 2 247.298 0.728 20 0 BCADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cnnn1C ZINC000924852609 640272603 /nfs/dbraw/zinc/27/26/03/640272603.db2.gz KGYVJNZFQURXIX-VHSXEESVSA-N 2 2 225.340 0.806 20 0 BCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCn1cncn1 ZINC000931719101 640334803 /nfs/dbraw/zinc/33/48/03/640334803.db2.gz JKZYPAHIZNHEQG-NWDGAFQWSA-N 2 2 235.335 0.447 20 0 BCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCn1cncn1 ZINC000931719101 640334805 /nfs/dbraw/zinc/33/48/05/640334805.db2.gz JKZYPAHIZNHEQG-NWDGAFQWSA-N 2 2 235.335 0.447 20 0 BCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCn1cncn1 ZINC000931719101 640334806 /nfs/dbraw/zinc/33/48/06/640334806.db2.gz JKZYPAHIZNHEQG-NWDGAFQWSA-N 2 2 235.335 0.447 20 0 BCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCn1cncn1 ZINC000931719101 640334807 /nfs/dbraw/zinc/33/48/07/640334807.db2.gz JKZYPAHIZNHEQG-NWDGAFQWSA-N 2 2 235.335 0.447 20 0 BCADLP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931720109 640341016 /nfs/dbraw/zinc/34/10/16/640341016.db2.gz LRBOFNMYFWYWFH-OLZOCXBDSA-N 2 2 242.363 0.818 20 0 BCADLP COCCOCC[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931720109 640341024 /nfs/dbraw/zinc/34/10/24/640341024.db2.gz LRBOFNMYFWYWFH-OLZOCXBDSA-N 2 2 242.363 0.818 20 0 BCADLP COCCOCC[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931720109 640341029 /nfs/dbraw/zinc/34/10/29/640341029.db2.gz LRBOFNMYFWYWFH-OLZOCXBDSA-N 2 2 242.363 0.818 20 0 BCADLP COCCOCC[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931720109 640341032 /nfs/dbraw/zinc/34/10/32/640341032.db2.gz LRBOFNMYFWYWFH-OLZOCXBDSA-N 2 2 242.363 0.818 20 0 BCADLP CC[NH2+]CC(=O)NCCCCn1cc[nH+]c1 ZINC000045109243 640501363 /nfs/dbraw/zinc/50/13/63/640501363.db2.gz CQKKZMYRZIVVAD-UHFFFAOYSA-N 2 2 224.308 0.389 20 0 BCADLP CCCC[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030160754 640645765 /nfs/dbraw/zinc/64/57/65/640645765.db2.gz GAZIACNDHKZQQE-GFCCVEGCSA-N 2 2 239.363 0.681 20 0 BCADLP CCCC[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030160754 640645770 /nfs/dbraw/zinc/64/57/70/640645770.db2.gz GAZIACNDHKZQQE-GFCCVEGCSA-N 2 2 239.363 0.681 20 0 BCADLP COC[C@H]1COCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000933336157 640706799 /nfs/dbraw/zinc/70/67/99/640706799.db2.gz QZBURUXKJFNRKJ-LBPRGKRZSA-N 2 2 239.319 0.620 20 0 BCADLP COC[C@H]1COCC[N@H+]1CCCn1cc[nH+]c1 ZINC000933336157 640706801 /nfs/dbraw/zinc/70/68/01/640706801.db2.gz QZBURUXKJFNRKJ-LBPRGKRZSA-N 2 2 239.319 0.620 20 0 BCADLP CC[NH+]1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001030322131 640758019 /nfs/dbraw/zinc/75/80/19/640758019.db2.gz SUPATUJHCSPBLK-GFCCVEGCSA-N 2 2 237.347 0.149 20 0 BCADLP CC[N@@H+](CCC(=O)NC)CCn1cc[nH+]c1 ZINC000933864153 640775417 /nfs/dbraw/zinc/77/54/17/640775417.db2.gz NXVIECFXXYWQAS-UHFFFAOYSA-N 2 2 224.308 0.341 20 0 BCADLP CC[N@H+](CCC(=O)NC)CCn1cc[nH+]c1 ZINC000933864153 640775419 /nfs/dbraw/zinc/77/54/19/640775419.db2.gz NXVIECFXXYWQAS-UHFFFAOYSA-N 2 2 224.308 0.341 20 0 BCADLP Cc1nonc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228543526 640879572 /nfs/dbraw/zinc/87/95/72/640879572.db2.gz QXJQPJNRWWJHDN-HBNTYKKESA-N 2 2 236.319 0.937 20 0 BCADLP Cc1nonc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228543526 640879575 /nfs/dbraw/zinc/87/95/75/640879575.db2.gz QXJQPJNRWWJHDN-HBNTYKKESA-N 2 2 236.319 0.937 20 0 BCADLP CO[C@H]1CC[C@@H]1[N@H+](C)CCn1cc[nH+]c1 ZINC000934114655 641079633 /nfs/dbraw/zinc/07/96/33/641079633.db2.gz KWEMWPGSBSUMRG-QWRGUYRKSA-N 2 2 209.293 0.992 20 0 BCADLP CO[C@H]1CC[C@@H]1[N@@H+](C)CCn1cc[nH+]c1 ZINC000934114655 641079647 /nfs/dbraw/zinc/07/96/47/641079647.db2.gz KWEMWPGSBSUMRG-QWRGUYRKSA-N 2 2 209.293 0.992 20 0 BCADLP CCC[C@](C)(O)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000230680734 641080565 /nfs/dbraw/zinc/08/05/65/641080565.db2.gz FILIUAKCTOCYMR-UPJWGTAASA-N 2 2 244.379 0.894 20 0 BCADLP C[NH2+]C[C@@H]1CCCC[N@H+]1CCC(=O)N(C)C ZINC000063169329 641143498 /nfs/dbraw/zinc/14/34/98/641143498.db2.gz LDLGJVHFUVUZJH-NSHDSACASA-N 2 2 227.352 0.539 20 0 BCADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCC(=O)N(C)C ZINC000063169329 641143494 /nfs/dbraw/zinc/14/34/94/641143494.db2.gz LDLGJVHFUVUZJH-NSHDSACASA-N 2 2 227.352 0.539 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934569691 641200990 /nfs/dbraw/zinc/20/09/90/641200990.db2.gz YWQSAMDJVFXTMV-RYUDHWBXSA-N 2 2 241.310 0.986 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934569691 641201003 /nfs/dbraw/zinc/20/10/03/641201003.db2.gz YWQSAMDJVFXTMV-RYUDHWBXSA-N 2 2 241.310 0.986 20 0 BCADLP C([C@@H]1C[C@@H]2COC[C@H]2O1)[N@@H+]1CCC[NH2+]CC1 ZINC000675080154 641341520 /nfs/dbraw/zinc/34/15/20/641341520.db2.gz NPDWVIUINJRRPW-GRYCIOLGSA-N 2 2 226.320 0.086 20 0 BCADLP C([C@@H]1C[C@@H]2COC[C@H]2O1)[N@H+]1CCC[NH2+]CC1 ZINC000675080154 641341528 /nfs/dbraw/zinc/34/15/28/641341528.db2.gz NPDWVIUINJRRPW-GRYCIOLGSA-N 2 2 226.320 0.086 20 0 BCADLP O=C(NC12CC[NH+](CC1)C2)[C@H]1CCC[N@@H+]1C1CC1 ZINC000913633710 641443903 /nfs/dbraw/zinc/44/39/03/641443903.db2.gz KSEBYSYGOBYDJO-GFCCVEGCSA-N 2 2 249.358 0.578 20 0 BCADLP O=C(NC12CC[NH+](CC1)C2)[C@H]1CCC[N@H+]1C1CC1 ZINC000913633710 641443905 /nfs/dbraw/zinc/44/39/05/641443905.db2.gz KSEBYSYGOBYDJO-GFCCVEGCSA-N 2 2 249.358 0.578 20 0 BCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC000913813849 641485185 /nfs/dbraw/zinc/48/51/85/641485185.db2.gz HUZLQOLFZUTHOG-VXGBXAGGSA-N 2 2 248.330 0.647 20 0 BCADLP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC000913813849 641485191 /nfs/dbraw/zinc/48/51/91/641485191.db2.gz HUZLQOLFZUTHOG-VXGBXAGGSA-N 2 2 248.330 0.647 20 0 BCADLP CC[C@H](CO)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000930060028 642301561 /nfs/dbraw/zinc/30/15/61/642301561.db2.gz AQUHNLAKFLXLHS-LLVKDONJSA-N 2 2 238.335 0.313 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](C)C[C@H](O)CC(F)(F)F ZINC000307945613 642353484 /nfs/dbraw/zinc/35/34/84/642353484.db2.gz ZXWOISRTPKMFGM-RNFRBKRXSA-N 2 2 214.231 0.579 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@H](O)CC(F)(F)F ZINC000307945613 642353489 /nfs/dbraw/zinc/35/34/89/642353489.db2.gz ZXWOISRTPKMFGM-RNFRBKRXSA-N 2 2 214.231 0.579 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CC(C)C ZINC000381108497 642499540 /nfs/dbraw/zinc/49/95/40/642499540.db2.gz ZJSYLXDUNFQTSK-LBPRGKRZSA-N 2 2 232.368 0.513 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CC(C)C ZINC000381108497 642499545 /nfs/dbraw/zinc/49/95/45/642499545.db2.gz ZJSYLXDUNFQTSK-LBPRGKRZSA-N 2 2 232.368 0.513 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CC(C)C ZINC000381108497 642499547 /nfs/dbraw/zinc/49/95/47/642499547.db2.gz ZJSYLXDUNFQTSK-LBPRGKRZSA-N 2 2 232.368 0.513 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CC(C)C ZINC000381108497 642499552 /nfs/dbraw/zinc/49/95/52/642499552.db2.gz ZJSYLXDUNFQTSK-LBPRGKRZSA-N 2 2 232.368 0.513 20 0 BCADLP O=c1cc(C[NH2+]CCn2cc[nH+]c2)cc[nH]1 ZINC000921484114 642635149 /nfs/dbraw/zinc/63/51/49/642635149.db2.gz DFMNOYZTESTREY-UHFFFAOYSA-N 2 2 218.260 0.774 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000420400773 642723547 /nfs/dbraw/zinc/72/35/47/642723547.db2.gz JZEBEOZKXLXSPB-CYBMUJFWSA-N 2 2 239.363 0.683 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000420400773 642723557 /nfs/dbraw/zinc/72/35/57/642723557.db2.gz JZEBEOZKXLXSPB-CYBMUJFWSA-N 2 2 239.363 0.683 20 0 BCADLP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@H](O)COC ZINC000068892343 642806900 /nfs/dbraw/zinc/80/69/00/642806900.db2.gz NORMKBKFHORVOZ-MNOVXSKESA-N 2 2 216.325 0.068 20 0 BCADLP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@H](O)COC ZINC000068892343 642806909 /nfs/dbraw/zinc/80/69/09/642806909.db2.gz NORMKBKFHORVOZ-MNOVXSKESA-N 2 2 216.325 0.068 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCC[S@](C)=O)CC[N@@H+]1C ZINC000252713061 642893066 /nfs/dbraw/zinc/89/30/66/642893066.db2.gz OFGVQYIYCOQWNW-ZETOZRRWSA-N 2 2 232.393 0.827 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCC[S@](C)=O)CC[N@H+]1C ZINC000252713061 642893068 /nfs/dbraw/zinc/89/30/68/642893068.db2.gz OFGVQYIYCOQWNW-ZETOZRRWSA-N 2 2 232.393 0.827 20 0 BCADLP CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001016113344 642949465 /nfs/dbraw/zinc/94/94/65/642949465.db2.gz IXDSIFWPYMGLSK-JTQLQIEISA-N 2 2 236.319 0.471 20 0 BCADLP CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001016113344 642949477 /nfs/dbraw/zinc/94/94/77/642949477.db2.gz IXDSIFWPYMGLSK-JTQLQIEISA-N 2 2 236.319 0.471 20 0 BCADLP CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001018994543 643015654 /nfs/dbraw/zinc/01/56/54/643015654.db2.gz FQBWFZTZCHPHFF-HBNTYKKESA-N 2 2 248.330 0.724 20 0 BCADLP CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001018994543 643015666 /nfs/dbraw/zinc/01/56/66/643015666.db2.gz FQBWFZTZCHPHFF-HBNTYKKESA-N 2 2 248.330 0.724 20 0 BCADLP CC(C)[NH2+]Cc1cn(Cc2[nH+]ccn2C)nn1 ZINC000090297254 643151339 /nfs/dbraw/zinc/15/13/39/643151339.db2.gz WWMNQYYKCZMELB-UHFFFAOYSA-N 2 2 234.307 0.558 20 0 BCADLP CC(C)[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001020635181 643248775 /nfs/dbraw/zinc/24/87/75/643248775.db2.gz JDFKBLMECWHQPS-MGCOHNPYSA-N 2 2 236.319 0.597 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+]Cc1cc[nH]c(=O)c1 ZINC000235110962 643275508 /nfs/dbraw/zinc/27/55/08/643275508.db2.gz NRGJDOUAUIVPAO-VIFPVBQESA-N 2 2 209.293 0.415 20 0 BCADLP CCS(=O)(=O)CC[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000049235312 643614853 /nfs/dbraw/zinc/61/48/53/643614853.db2.gz QBSBQWMYHRHHGR-SNVBAGLBSA-N 2 2 245.348 0.296 20 0 BCADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCN1C ZINC000922575503 644029606 /nfs/dbraw/zinc/02/96/06/644029606.db2.gz JNHGYQFPANGFTE-GFCCVEGCSA-N 2 2 234.347 0.941 20 0 BCADLP CCO[C@H](C[NH2+][C@@H]1CO[C@@H](C)C1)C[NH+](C)C ZINC000922756930 644087328 /nfs/dbraw/zinc/08/73/28/644087328.db2.gz UZTDMPCTAGIFHA-SDDRHHMPSA-N 2 2 230.352 0.720 20 0 BCADLP CC(C)COC[C@H](O)C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000923280191 644310676 /nfs/dbraw/zinc/31/06/76/644310676.db2.gz HSVTZZSAUWGSQI-QWHCGFSZSA-N 2 2 244.379 0.833 20 0 BCADLP CC(C)COC[C@H](O)C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000923280191 644310685 /nfs/dbraw/zinc/31/06/85/644310685.db2.gz HSVTZZSAUWGSQI-QWHCGFSZSA-N 2 2 244.379 0.833 20 0 BCADLP CC(C)CC[C@@H](O)C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000923280020 644311556 /nfs/dbraw/zinc/31/15/56/644311556.db2.gz DGQAIHMKNKCEDS-WDEREUQCSA-N 2 2 200.326 0.817 20 0 BCADLP CC(C)CC[C@@H](O)C[N@H+]1CC[C@H]([NH3+])C1 ZINC000923280020 644311563 /nfs/dbraw/zinc/31/15/63/644311563.db2.gz DGQAIHMKNKCEDS-WDEREUQCSA-N 2 2 200.326 0.817 20 0 BCADLP CC(C)COC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000923282101 644314620 /nfs/dbraw/zinc/31/46/20/644314620.db2.gz QDGKBEFERZXZGG-NEPJUHHUSA-N 2 2 230.352 0.443 20 0 BCADLP CC(C)COC[C@@H](O)C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000923282101 644314624 /nfs/dbraw/zinc/31/46/24/644314624.db2.gz QDGKBEFERZXZGG-NEPJUHHUSA-N 2 2 230.352 0.443 20 0 BCADLP CCC[N@H+](C[C@@H](O)CCOCC)[C@H]1CC[NH2+]C1 ZINC000923288109 644320477 /nfs/dbraw/zinc/32/04/77/644320477.db2.gz XKCMGZFMEZDJIV-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP CCC[N@@H+](C[C@@H](O)CCOCC)[C@H]1CC[NH2+]C1 ZINC000923288109 644320479 /nfs/dbraw/zinc/32/04/79/644320479.db2.gz XKCMGZFMEZDJIV-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP CCOCCOCC[N@H+](C)[C@@H](C)C[NH3+] ZINC000923289428 644324034 /nfs/dbraw/zinc/32/40/34/644324034.db2.gz ILKMBUXAOFZSJW-JTQLQIEISA-N 2 2 204.314 0.319 20 0 BCADLP CCOCCOCC[N@@H+](C)[C@@H](C)C[NH3+] ZINC000923289428 644324039 /nfs/dbraw/zinc/32/40/39/644324039.db2.gz ILKMBUXAOFZSJW-JTQLQIEISA-N 2 2 204.314 0.319 20 0 BCADLP C[C@@H]1C[N@H+](CCC[NH2+]C2CC2)CC[C@@H]1[NH3+] ZINC000923289323 644324206 /nfs/dbraw/zinc/32/42/06/644324206.db2.gz GXWHWCBWVBXNLH-PWSUYJOCSA-N 3 2 211.353 0.798 20 0 BCADLP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC2)CC[C@@H]1[NH3+] ZINC000923289323 644324212 /nfs/dbraw/zinc/32/42/12/644324212.db2.gz GXWHWCBWVBXNLH-PWSUYJOCSA-N 3 2 211.353 0.798 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923294592 644332635 /nfs/dbraw/zinc/33/26/35/644332635.db2.gz KEYQKDMGEJPASZ-VXGBXAGGSA-N 3 2 239.363 0.049 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923294592 644332639 /nfs/dbraw/zinc/33/26/39/644332639.db2.gz KEYQKDMGEJPASZ-VXGBXAGGSA-N 3 2 239.363 0.049 20 0 BCADLP [NH3+]CC[N@H+](CCO)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923333217 644355533 /nfs/dbraw/zinc/35/55/33/644355533.db2.gz ZNZLOJGAYSAUPJ-YHWZYXNKSA-N 3 2 241.379 0.160 20 0 BCADLP [NH3+]CC[N@@H+](CCO)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923333217 644355537 /nfs/dbraw/zinc/35/55/37/644355537.db2.gz ZNZLOJGAYSAUPJ-YHWZYXNKSA-N 3 2 241.379 0.160 20 0 BCADLP C[NH+](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC000082303136 644365927 /nfs/dbraw/zinc/36/59/27/644365927.db2.gz WOYTUPFDUMJMLO-UHFFFAOYSA-N 2 2 232.287 0.626 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923368747 644381332 /nfs/dbraw/zinc/38/13/32/644381332.db2.gz SIYMYDGVUZIGIB-TUAOUCFPSA-N 2 2 230.352 0.584 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923368747 644381338 /nfs/dbraw/zinc/38/13/38/644381338.db2.gz SIYMYDGVUZIGIB-TUAOUCFPSA-N 2 2 230.352 0.584 20 0 BCADLP CCCCOC[C@@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923367898 644381685 /nfs/dbraw/zinc/38/16/85/644381685.db2.gz KRQXFRUZVKZROV-SRVKXCTJSA-N 2 2 230.352 0.586 20 0 BCADLP CCCCOC[C@@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923367898 644381688 /nfs/dbraw/zinc/38/16/88/644381688.db2.gz KRQXFRUZVKZROV-SRVKXCTJSA-N 2 2 230.352 0.586 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@H+](C)CC[NH3+] ZINC000923378405 644391094 /nfs/dbraw/zinc/39/10/94/644391094.db2.gz INODNGZABSNUSJ-SNVBAGLBSA-N 2 2 204.314 0.053 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@@H+](C)CC[NH3+] ZINC000923378405 644391098 /nfs/dbraw/zinc/39/10/98/644391098.db2.gz INODNGZABSNUSJ-SNVBAGLBSA-N 2 2 204.314 0.053 20 0 BCADLP C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)CC(C)(C)[NH3+] ZINC000923386596 644399798 /nfs/dbraw/zinc/39/97/98/644399798.db2.gz PHLMZZPFJMCGND-JTQLQIEISA-N 3 2 227.352 0.034 20 0 BCADLP C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)CC(C)(C)[NH3+] ZINC000923386596 644399804 /nfs/dbraw/zinc/39/98/04/644399804.db2.gz PHLMZZPFJMCGND-JTQLQIEISA-N 3 2 227.352 0.034 20 0 BCADLP CC(C)OC[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923400083 644406858 /nfs/dbraw/zinc/40/68/58/644406858.db2.gz UTCYSJUKWQDEEU-NEPJUHHUSA-N 2 2 242.363 0.647 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000923410183 644410826 /nfs/dbraw/zinc/41/08/26/644410826.db2.gz KXYAWBDBCHZKOG-WCQYABFASA-N 2 2 222.332 0.869 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000923410183 644410829 /nfs/dbraw/zinc/41/08/29/644410829.db2.gz KXYAWBDBCHZKOG-WCQYABFASA-N 2 2 222.332 0.869 20 0 BCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCCCC[C@H]([NH3+])C2)C1 ZINC000923411523 644414121 /nfs/dbraw/zinc/41/41/21/644414121.db2.gz MWFNEBWBHZEOCD-BJDJZHNGSA-N 3 2 227.352 0.040 20 0 BCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCCCC[C@H]([NH3+])C2)C1 ZINC000923411523 644414122 /nfs/dbraw/zinc/41/41/22/644414122.db2.gz MWFNEBWBHZEOCD-BJDJZHNGSA-N 3 2 227.352 0.040 20 0 BCADLP CCOCCOCC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000923411530 644414207 /nfs/dbraw/zinc/41/42/07/644414207.db2.gz CMWJFKGAEUOBEY-MNOVXSKESA-N 2 2 216.325 0.461 20 0 BCADLP CCOCCOCC[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000923411530 644414208 /nfs/dbraw/zinc/41/42/08/644414208.db2.gz CMWJFKGAEUOBEY-MNOVXSKESA-N 2 2 216.325 0.461 20 0 BCADLP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@@H](O)CSC ZINC000923421874 644417366 /nfs/dbraw/zinc/41/73/66/644417366.db2.gz FLPGAILYMWFYHA-GHMZBOCLSA-N 2 2 232.393 0.784 20 0 BCADLP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@@H](O)CSC ZINC000923421874 644417367 /nfs/dbraw/zinc/41/73/67/644417367.db2.gz FLPGAILYMWFYHA-GHMZBOCLSA-N 2 2 232.393 0.784 20 0 BCADLP CC[N@H+](C[C@@H](O)CCOC(C)C)[C@H]1CC[NH2+]C1 ZINC000923424170 644419067 /nfs/dbraw/zinc/41/90/67/644419067.db2.gz DIFNNGCXPLTTNA-STQMWFEESA-N 2 2 244.379 0.846 20 0 BCADLP CC[N@@H+](C[C@@H](O)CCOC(C)C)[C@H]1CC[NH2+]C1 ZINC000923424170 644419071 /nfs/dbraw/zinc/41/90/71/644419071.db2.gz DIFNNGCXPLTTNA-STQMWFEESA-N 2 2 244.379 0.846 20 0 BCADLP COC[C@H](CN1CC[NH2+]CC[NH2+]CC1)C(C)C ZINC000923460260 644438261 /nfs/dbraw/zinc/43/82/61/644438261.db2.gz LUVKZPICHUPXGZ-ZDUSSCGKSA-N 2 2 243.395 0.400 20 0 BCADLP C([C@@H]1CC[C@H]2C[C@H]2C1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923461423 644447482 /nfs/dbraw/zinc/44/74/82/644447482.db2.gz XILSXBZLWVOZAO-HZSPNIEDSA-N 2 2 237.391 0.917 20 0 BCADLP CC(C)OCCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923461701 644447674 /nfs/dbraw/zinc/44/76/74/644447674.db2.gz SETIRBPZDNQVPD-UHFFFAOYSA-N 2 2 229.368 0.296 20 0 BCADLP Cc1nc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)no1 ZINC000923498009 644473148 /nfs/dbraw/zinc/47/31/48/644473148.db2.gz NDSJKFNCSMEVTF-PSASIEDQSA-N 2 2 224.308 0.795 20 0 BCADLP Cc1nc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)no1 ZINC000923498009 644473150 /nfs/dbraw/zinc/47/31/50/644473150.db2.gz NDSJKFNCSMEVTF-PSASIEDQSA-N 2 2 224.308 0.795 20 0 BCADLP CCOC(=O)[C@H](CC)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516459 644479481 /nfs/dbraw/zinc/47/94/81/644479481.db2.gz GFHYJYDECKGOFS-TUAOUCFPSA-N 2 2 240.347 0.869 20 0 BCADLP CCOC(=O)[C@H](CC)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516459 644479483 /nfs/dbraw/zinc/47/94/83/644479483.db2.gz GFHYJYDECKGOFS-TUAOUCFPSA-N 2 2 240.347 0.869 20 0 BCADLP c1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)n[nH]1 ZINC000923515827 644480794 /nfs/dbraw/zinc/48/07/94/644480794.db2.gz NVBTUQZVMSSERS-VHSXEESVSA-N 2 2 206.293 0.451 20 0 BCADLP c1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)n[nH]1 ZINC000923515827 644480796 /nfs/dbraw/zinc/48/07/96/644480796.db2.gz NVBTUQZVMSSERS-VHSXEESVSA-N 2 2 206.293 0.451 20 0 BCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515422 644481291 /nfs/dbraw/zinc/48/12/91/644481291.db2.gz GHWSULNBTNBLRD-NWDGAFQWSA-N 2 2 249.362 0.648 20 0 BCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515422 644481299 /nfs/dbraw/zinc/48/12/99/644481299.db2.gz GHWSULNBTNBLRD-NWDGAFQWSA-N 2 2 249.362 0.648 20 0 BCADLP CCOC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923529552 644484952 /nfs/dbraw/zinc/48/49/52/644484952.db2.gz AASDQJRYJVUXDT-STQMWFEESA-N 2 2 242.363 0.602 20 0 BCADLP CCOC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923529552 644484949 /nfs/dbraw/zinc/48/49/49/644484949.db2.gz AASDQJRYJVUXDT-STQMWFEESA-N 2 2 242.363 0.602 20 0 BCADLP CSC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530433 644488211 /nfs/dbraw/zinc/48/82/11/644488211.db2.gz ISSSMDMNFAYJMY-VXGBXAGGSA-N 2 2 244.404 0.928 20 0 BCADLP CSC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530433 644488214 /nfs/dbraw/zinc/48/82/14/644488214.db2.gz ISSSMDMNFAYJMY-VXGBXAGGSA-N 2 2 244.404 0.928 20 0 BCADLP OC[C@H]1CCCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000923531058 644488291 /nfs/dbraw/zinc/48/82/91/644488291.db2.gz OMUTYHHLKANWMR-NEPJUHHUSA-N 2 2 228.336 0.212 20 0 BCADLP OC[C@H]1CCCCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000923531058 644488296 /nfs/dbraw/zinc/48/82/96/644488296.db2.gz OMUTYHHLKANWMR-NEPJUHHUSA-N 2 2 228.336 0.212 20 0 BCADLP CCn1c[nH+]c2c1CCN(C[C@H]1CC[NH2+]C1)C2 ZINC000923557715 644499553 /nfs/dbraw/zinc/49/95/53/644499553.db2.gz NZYGEVJGBFXEAS-NSHDSACASA-N 2 2 234.347 0.871 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000251725681 644818300 /nfs/dbraw/zinc/81/83/00/644818300.db2.gz ZKQQEEWLKWREHS-AEJSXWLSSA-N 2 2 212.293 0.361 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@H]2CCOC2=O)C1 ZINC000251725681 644818303 /nfs/dbraw/zinc/81/83/03/644818303.db2.gz ZKQQEEWLKWREHS-AEJSXWLSSA-N 2 2 212.293 0.361 20 0 BCADLP O[C@@H](C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)C(F)(F)F ZINC000304595733 644914111 /nfs/dbraw/zinc/91/41/11/644914111.db2.gz UVZSZUBOPKGTMG-DTWKUNHWSA-N 2 2 238.253 0.595 20 0 BCADLP O[C@@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)C(F)(F)F ZINC000304595733 644914114 /nfs/dbraw/zinc/91/41/14/644914114.db2.gz UVZSZUBOPKGTMG-DTWKUNHWSA-N 2 2 238.253 0.595 20 0 BCADLP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926562765 645283968 /nfs/dbraw/zinc/28/39/68/645283968.db2.gz HCERWVNIBGFWBV-IRCOFANPSA-N 2 2 210.321 0.584 20 0 BCADLP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926562765 645283974 /nfs/dbraw/zinc/28/39/74/645283974.db2.gz HCERWVNIBGFWBV-IRCOFANPSA-N 2 2 210.321 0.584 20 0 BCADLP [NH3+]CC[N@H+](CCO)CCCC1CC[NH2+]CC1 ZINC000843367438 645286219 /nfs/dbraw/zinc/28/62/19/645286219.db2.gz HLGOMPLUYDUGMT-UHFFFAOYSA-N 3 2 229.368 0.019 20 0 BCADLP [NH3+]CC[N@@H+](CCO)CCCC1CC[NH2+]CC1 ZINC000843367438 645286225 /nfs/dbraw/zinc/28/62/25/645286225.db2.gz HLGOMPLUYDUGMT-UHFFFAOYSA-N 3 2 229.368 0.019 20 0 BCADLP [NH3+]CCCCCCC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000843369232 645286490 /nfs/dbraw/zinc/28/64/90/645286490.db2.gz HGLXPCBCLQGZGD-GFCCVEGCSA-N 3 2 229.368 0.555 20 0 BCADLP [NH3+]CCCCCCC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000843369232 645286497 /nfs/dbraw/zinc/28/64/97/645286497.db2.gz HGLXPCBCLQGZGD-GFCCVEGCSA-N 3 2 229.368 0.555 20 0 BCADLP [NH3+]CC[N@H+](CCO)CC[C@H]1CC1(Cl)Cl ZINC000843368246 645287014 /nfs/dbraw/zinc/28/70/14/645287014.db2.gz PBMXTQTUUWBZOG-QMMMGPOBSA-N 2 2 241.162 0.823 20 0 BCADLP [NH3+]CC[N@@H+](CCO)CC[C@H]1CC1(Cl)Cl ZINC000843368246 645287017 /nfs/dbraw/zinc/28/70/17/645287017.db2.gz PBMXTQTUUWBZOG-QMMMGPOBSA-N 2 2 241.162 0.823 20 0 BCADLP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000926753109 645402518 /nfs/dbraw/zinc/40/25/18/645402518.db2.gz QPJKTSWFJIUQJT-QJPTWQEYSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000926753109 645402526 /nfs/dbraw/zinc/40/25/26/645402526.db2.gz QPJKTSWFJIUQJT-QJPTWQEYSA-N 2 2 239.363 0.727 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C[N@@H+](C)C1CCC1 ZINC000863893300 645708315 /nfs/dbraw/zinc/70/83/15/645708315.db2.gz MKTNTROGUINGOE-UHFFFAOYSA-N 2 2 236.319 0.819 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C[N@H+](C)C1CCC1 ZINC000863893300 645708319 /nfs/dbraw/zinc/70/83/19/645708319.db2.gz MKTNTROGUINGOE-UHFFFAOYSA-N 2 2 236.319 0.819 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@H+]1C ZINC000928553693 645810844 /nfs/dbraw/zinc/81/08/44/645810844.db2.gz DBJSNIWBHWEVDD-SECBINFHSA-N 2 2 222.292 0.081 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@@H+]1C ZINC000928553693 645810848 /nfs/dbraw/zinc/81/08/48/645810848.db2.gz DBJSNIWBHWEVDD-SECBINFHSA-N 2 2 222.292 0.081 20 0 BCADLP Cc1[nH]c(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c(C)[nH+]1 ZINC000930328597 645952783 /nfs/dbraw/zinc/95/27/83/645952783.db2.gz VCEMHKOOFOASJR-WRWORJQWSA-N 2 2 236.319 0.641 20 0 BCADLP C[C@H](O)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924528188 646048651 /nfs/dbraw/zinc/04/86/51/646048651.db2.gz MPSWVEDHTOXAME-SRVKXCTJSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@H](O)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924528188 646048656 /nfs/dbraw/zinc/04/86/56/646048656.db2.gz MPSWVEDHTOXAME-SRVKXCTJSA-N 2 2 212.337 0.974 20 0 BCADLP CC1(C)CNC(=O)[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000924534623 646053332 /nfs/dbraw/zinc/05/33/32/646053332.db2.gz RMEJUPJXBWMXIX-SNVBAGLBSA-N 2 2 236.319 0.387 20 0 BCADLP C[C@H](C[NH2+][C@H]1CCOC12CCOCC2)[NH+](C)C ZINC000924957804 646141413 /nfs/dbraw/zinc/14/14/13/646141413.db2.gz NTRWQNKMQZDZQM-NEPJUHHUSA-N 2 2 242.363 0.864 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cnnn1C ZINC000925140149 646191851 /nfs/dbraw/zinc/19/18/51/646191851.db2.gz ITZVLRPGSVSLLY-GARJFASQSA-N 2 2 237.351 0.948 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cnnn1C ZINC000925140149 646191858 /nfs/dbraw/zinc/19/18/58/646191858.db2.gz ITZVLRPGSVSLLY-GARJFASQSA-N 2 2 237.351 0.948 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1NCCC[NH+]1CCOCC1 ZINC000925494263 646301069 /nfs/dbraw/zinc/30/10/69/646301069.db2.gz JKWPPIIQSJZYRY-GFCCVEGCSA-N 2 2 241.379 0.439 20 0 BCADLP C[C@H](CN1CCCC1=O)[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925506494 646306216 /nfs/dbraw/zinc/30/62/16/646306216.db2.gz RPTUXXMTAKCXCK-MNOVXSKESA-N 2 2 239.363 0.727 20 0 BCADLP CC(C)C[C@@H](CCO)C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925525409 646312463 /nfs/dbraw/zinc/31/24/63/646312463.db2.gz COMLURRRINTFAA-OLZOCXBDSA-N 2 2 244.379 0.609 20 0 BCADLP Cc1[nH]c(C[N@@H+]2CC[C@](C)(O)C2)c(C)[nH+]1 ZINC000929788106 646318680 /nfs/dbraw/zinc/31/86/80/646318680.db2.gz MNKADMXEFASFPO-NSHDSACASA-N 2 2 209.293 0.983 20 0 BCADLP Cc1[nH]c(C[N@H+]2CC[C@](C)(O)C2)c(C)[nH+]1 ZINC000929788106 646318681 /nfs/dbraw/zinc/31/86/81/646318681.db2.gz MNKADMXEFASFPO-NSHDSACASA-N 2 2 209.293 0.983 20 0 BCADLP C[C@@H](O)[C@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000929804627 646327146 /nfs/dbraw/zinc/32/71/46/646327146.db2.gz XBZXSGBZTDNHBZ-ZYHUDNBSSA-N 2 2 239.319 0.262 20 0 BCADLP C1C[C@H]2[C@@H](CCC[C@@H]2[NH2+][C@@H]2C[NH2+]CCOC2)O1 ZINC000925558121 646333908 /nfs/dbraw/zinc/33/39/08/646333908.db2.gz FNKRIQKOBDJXCM-FVCCEPFGSA-N 2 2 240.347 0.522 20 0 BCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)[C@@H](C)O ZINC000929814356 646334322 /nfs/dbraw/zinc/33/43/22/646334322.db2.gz NPXOEFUSXFMPID-NDBYEHHHSA-N 2 2 242.363 0.287 20 0 BCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)[C@@H](C)O ZINC000929814356 646334328 /nfs/dbraw/zinc/33/43/28/646334328.db2.gz NPXOEFUSXFMPID-NDBYEHHHSA-N 2 2 242.363 0.287 20 0 BCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)[C@@H](C)O ZINC000929814356 646334335 /nfs/dbraw/zinc/33/43/35/646334335.db2.gz NPXOEFUSXFMPID-NDBYEHHHSA-N 2 2 242.363 0.287 20 0 BCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)[C@@H](C)O ZINC000929814356 646334341 /nfs/dbraw/zinc/33/43/41/646334341.db2.gz NPXOEFUSXFMPID-NDBYEHHHSA-N 2 2 242.363 0.287 20 0 BCADLP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925564070 646335657 /nfs/dbraw/zinc/33/56/57/646335657.db2.gz QURHRDGONHAUEL-HBNTYKKESA-N 2 2 200.326 0.999 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000925575367 646341322 /nfs/dbraw/zinc/34/13/22/646341322.db2.gz GDHNGXZPCWQFFB-NHCYSSNCSA-N 2 2 237.347 0.480 20 0 BCADLP CCc1nc(CC[NH2+][C@@H]2CCC[NH2+][C@H]2C)no1 ZINC000925590306 646349208 /nfs/dbraw/zinc/34/92/08/646349208.db2.gz OWKMNXZMPAFHDX-VHSXEESVSA-N 2 2 238.335 0.905 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC000925592484 646349776 /nfs/dbraw/zinc/34/97/76/646349776.db2.gz WHTVQODEEUTPHT-SECBINFHSA-N 2 2 234.365 0.151 20 0 BCADLP FC(F)(F)CCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925604154 646355261 /nfs/dbraw/zinc/35/52/61/646355261.db2.gz IHXOPFQEOZTMBS-QMMMGPOBSA-N 2 2 226.242 0.907 20 0 BCADLP COC[C@@H](CCO)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925612182 646360802 /nfs/dbraw/zinc/36/08/02/646360802.db2.gz RJPIPECMKOQROV-VXGBXAGGSA-N 2 2 242.363 0.648 20 0 BCADLP OC[C@H]1C=C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925613874 646363342 /nfs/dbraw/zinc/36/33/42/646363342.db2.gz FQGJPXZJYVCLJR-TUAOUCFPSA-N 2 2 222.332 0.798 20 0 BCADLP C[C@@H]1C[C@H](CC[NH2+][C@H]2C[NH2+]CCOC2)CCO1 ZINC000925637645 646379609 /nfs/dbraw/zinc/37/96/09/646379609.db2.gz PERSBPATUFXPQY-UPJWGTAASA-N 2 2 242.363 0.770 20 0 BCADLP C[C@H](CCCCO)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925677928 646406961 /nfs/dbraw/zinc/40/69/61/646406961.db2.gz ASQLFMOBFOHTRX-GHMZBOCLSA-N 2 2 216.325 0.116 20 0 BCADLP OC/C=C\C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925710377 646434300 /nfs/dbraw/zinc/43/43/00/646434300.db2.gz XFFMZLVMPHWMQZ-DLRQAJBASA-N 2 2 210.321 0.799 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000925711808 646436388 /nfs/dbraw/zinc/43/63/88/646436388.db2.gz RZRCHZLEAOFVSQ-AXFHLTTASA-N 3 2 247.333 0.961 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCOCCF ZINC000925717361 646443053 /nfs/dbraw/zinc/44/30/53/646443053.db2.gz TUWHOPWGIDTPJP-VIFPVBQESA-N 2 2 204.289 0.703 20 0 BCADLP C(C[C@@H]1CCCS1)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925723463 646448621 /nfs/dbraw/zinc/44/86/21/646448621.db2.gz VXOVCTHCOPVQEW-QWRGUYRKSA-N 2 2 230.377 0.850 20 0 BCADLP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925726652 646451385 /nfs/dbraw/zinc/45/13/85/646451385.db2.gz VMLNLWXUHZEHPS-SRVKXCTJSA-N 3 2 227.352 0.082 20 0 BCADLP COCC(C)(C)CC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925728494 646454190 /nfs/dbraw/zinc/45/41/90/646454190.db2.gz CLOGPQPVUXPVIN-NSHDSACASA-N 2 2 230.352 0.627 20 0 BCADLP CC1(C[NH2+][C@H]2C[NH2+]CCOC2)CC(F)(F)C1 ZINC000925733887 646457553 /nfs/dbraw/zinc/45/75/53/646457553.db2.gz MHIGWASVWFMVMT-VIFPVBQESA-N 2 2 234.290 1.000 20 0 BCADLP CC1(C[NH2+][C@@H]2C[NH2+]CCOC2)CC(F)(F)C1 ZINC000925733886 646458867 /nfs/dbraw/zinc/45/88/67/646458867.db2.gz MHIGWASVWFMVMT-SECBINFHSA-N 2 2 234.290 1.000 20 0 BCADLP CC(C)([NH3+])CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925738392 646460166 /nfs/dbraw/zinc/46/01/66/646460166.db2.gz TUFVGSBDKDCUAL-ZJUUUORDSA-N 3 2 211.353 0.973 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925775441 646475127 /nfs/dbraw/zinc/47/51/27/646475127.db2.gz GSQCQIPBGQLRHA-DCAQKATOSA-N 3 2 247.333 0.948 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ncc[nH]1 ZINC000925785187 646481209 /nfs/dbraw/zinc/48/12/09/646481209.db2.gz JXILFDLVHSDRRE-BBBLOLIVSA-N 2 2 208.309 0.916 20 0 BCADLP CCO[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)C[NH+](C)C ZINC000925838274 646504199 /nfs/dbraw/zinc/50/41/99/646504199.db2.gz KYADGUOGAQERBJ-CHWSQXEVSA-N 3 2 243.395 0.685 20 0 BCADLP C1C[C@H]2C[C@H]([NH2+][C@H]3CNOC3)CC[N@@H+]2C1 ZINC000925870258 646522969 /nfs/dbraw/zinc/52/29/69/646522969.db2.gz CDOYFWYNQUASSM-VWYCJHECSA-N 2 2 211.309 0.106 20 0 BCADLP C1C[C@H]2C[C@H]([NH2+][C@H]3CNOC3)CC[N@H+]2C1 ZINC000925870258 646522971 /nfs/dbraw/zinc/52/29/71/646522971.db2.gz CDOYFWYNQUASSM-VWYCJHECSA-N 2 2 211.309 0.106 20 0 BCADLP COC[C@H](C[NH2+][C@H]1C[NH2+]CCOC1)C(C)C ZINC000925874515 646526592 /nfs/dbraw/zinc/52/65/92/646526592.db2.gz SHVZXTSJNPJGPW-RYUDHWBXSA-N 2 2 230.352 0.483 20 0 BCADLP C[C@H]([NH2+]C[C@H](O)c1ccnn1C)[C@@H]1CCC[NH2+]1 ZINC000925890739 646533904 /nfs/dbraw/zinc/53/39/04/646533904.db2.gz QULPRYXNBITTKK-NHCYSSNCSA-N 2 2 238.335 0.184 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2nnn(C)c2C1 ZINC000925892661 646534631 /nfs/dbraw/zinc/53/46/31/646534631.db2.gz DFBZJYROSQSWDD-FOGDFJRCSA-N 2 2 249.362 0.260 20 0 BCADLP COC[C@H](O)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926370534 646628339 /nfs/dbraw/zinc/62/83/39/646628339.db2.gz FMIVOLKIJUSXAN-FRRDWIJNSA-N 2 2 242.363 0.600 20 0 BCADLP COC[C@H](O)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926370534 646628343 /nfs/dbraw/zinc/62/83/43/646628343.db2.gz FMIVOLKIJUSXAN-FRRDWIJNSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1COC[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000926451359 646641349 /nfs/dbraw/zinc/64/13/49/646641349.db2.gz YXYKKTYGSQLGAH-KBVBSXBZSA-N 2 2 221.304 0.892 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)CCO[C@H]1CCOC1 ZINC000724935326 711631455 /nfs/dbraw/zinc/63/14/55/711631455.db2.gz HOMMVNOKFQCNTF-UWVGGRQHSA-N 2 2 202.298 0.071 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)CCO[C@H]1CCOC1 ZINC000724935326 711631457 /nfs/dbraw/zinc/63/14/57/711631457.db2.gz HOMMVNOKFQCNTF-UWVGGRQHSA-N 2 2 202.298 0.071 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000227707015 711832621 /nfs/dbraw/zinc/83/26/21/711832621.db2.gz UNBUIGDRYDGMFN-BWZBUEFSSA-N 2 2 226.242 0.721 20 0 BCADLP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000702398600 712048499 /nfs/dbraw/zinc/04/84/99/712048499.db2.gz YVXDQQRBHZGGLW-VHSXEESVSA-N 2 2 206.293 0.836 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H]1C ZINC000706762867 712154976 /nfs/dbraw/zinc/15/49/76/712154976.db2.gz PPQAJDYYXIMFND-GHMZBOCLSA-N 2 2 200.326 0.782 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H]1C ZINC000706762867 712154977 /nfs/dbraw/zinc/15/49/77/712154977.db2.gz PPQAJDYYXIMFND-GHMZBOCLSA-N 2 2 200.326 0.782 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H]1C ZINC000706762867 712154978 /nfs/dbraw/zinc/15/49/78/712154978.db2.gz PPQAJDYYXIMFND-GHMZBOCLSA-N 2 2 200.326 0.782 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H]1C ZINC000706762867 712154979 /nfs/dbraw/zinc/15/49/79/712154979.db2.gz PPQAJDYYXIMFND-GHMZBOCLSA-N 2 2 200.326 0.782 20 0 BCADLP FC[C@@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000711456102 712304788 /nfs/dbraw/zinc/30/47/88/712304788.db2.gz RDAONJLAWCUMDH-VHSXEESVSA-N 2 2 202.273 0.266 20 0 BCADLP FC[C@@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000711456102 712304789 /nfs/dbraw/zinc/30/47/89/712304789.db2.gz RDAONJLAWCUMDH-VHSXEESVSA-N 2 2 202.273 0.266 20 0 BCADLP CCN1CC[C@@H]1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000712577585 712432950 /nfs/dbraw/zinc/43/29/50/712432950.db2.gz GTYNJGOTMVJWCR-CHWSQXEVSA-N 2 2 241.379 0.125 20 0 BCADLP CCN1CC[C@@H]1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000712577585 712432951 /nfs/dbraw/zinc/43/29/51/712432951.db2.gz GTYNJGOTMVJWCR-CHWSQXEVSA-N 2 2 241.379 0.125 20 0 BCADLP CO[C@H]1C[C@H](C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000714640437 712495322 /nfs/dbraw/zinc/49/53/22/712495322.db2.gz NZOWVVJLISPXJV-FDYHWXHSSA-N 2 2 242.363 0.768 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+](C)CCCF)C1CC1 ZINC000716748559 712571845 /nfs/dbraw/zinc/57/18/45/712571845.db2.gz QRNRTZJZQZTMPK-LLVKDONJSA-N 2 2 218.316 0.733 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+](C)CCCF)C1CC1 ZINC000716748559 712571846 /nfs/dbraw/zinc/57/18/46/712571846.db2.gz QRNRTZJZQZTMPK-LLVKDONJSA-N 2 2 218.316 0.733 20 0 BCADLP C[NH+](CCCF)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000716748559 712571847 /nfs/dbraw/zinc/57/18/47/712571847.db2.gz QRNRTZJZQZTMPK-LLVKDONJSA-N 2 2 218.316 0.733 20 0 BCADLP C[NH+](CCCF)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000716748559 712571848 /nfs/dbraw/zinc/57/18/48/712571848.db2.gz QRNRTZJZQZTMPK-LLVKDONJSA-N 2 2 218.316 0.733 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1COCCO1 ZINC000925487087 712611084 /nfs/dbraw/zinc/61/10/84/712611084.db2.gz VNWPIOVMNVNZMI-NXEZZACHSA-N 2 2 214.309 0.132 20 0 BCADLP CCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717434089 712657702 /nfs/dbraw/zinc/65/77/02/712657702.db2.gz YVASIBUQAAZENN-FRRDWIJNSA-N 2 2 242.363 0.552 20 0 BCADLP CCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717434089 712657704 /nfs/dbraw/zinc/65/77/04/712657704.db2.gz YVASIBUQAAZENN-FRRDWIJNSA-N 2 2 242.363 0.552 20 0 BCADLP CCOC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000717434089 712657706 /nfs/dbraw/zinc/65/77/06/712657706.db2.gz YVASIBUQAAZENN-FRRDWIJNSA-N 2 2 242.363 0.552 20 0 BCADLP CCOC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000717434089 712657707 /nfs/dbraw/zinc/65/77/07/712657707.db2.gz YVASIBUQAAZENN-FRRDWIJNSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)c1ccccc1 ZINC000037888336 712780965 /nfs/dbraw/zinc/78/09/65/712780965.db2.gz BFIIRBQZBZZHBR-QWHCGFSZSA-N 2 2 238.331 0.232 20 0 BCADLP CC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000720483057 712846537 /nfs/dbraw/zinc/84/65/37/712846537.db2.gz SYYUJJJUJSIBTH-UTUOFQBUSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@@H](O)C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000720483057 712846538 /nfs/dbraw/zinc/84/65/38/712846538.db2.gz SYYUJJJUJSIBTH-UTUOFQBUSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@@H](O)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720483057 712846539 /nfs/dbraw/zinc/84/65/39/712846539.db2.gz SYYUJJJUJSIBTH-UTUOFQBUSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@@H](O)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720483057 712846540 /nfs/dbraw/zinc/84/65/40/712846540.db2.gz SYYUJJJUJSIBTH-UTUOFQBUSA-N 2 2 212.337 0.926 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC1(C)OCCO1 ZINC000393740423 710672263 /nfs/dbraw/zinc/67/22/63/710672263.db2.gz BIAWCBBMBCVITO-QWRGUYRKSA-N 2 2 228.336 0.679 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC1(C)OCCO1 ZINC000393740423 710672266 /nfs/dbraw/zinc/67/22/66/710672266.db2.gz BIAWCBBMBCVITO-QWRGUYRKSA-N 2 2 228.336 0.679 20 0 BCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)CCS1 ZINC000380460976 712901051 /nfs/dbraw/zinc/90/10/51/712901051.db2.gz FIYFENZWHOXDAB-VXGBXAGGSA-N 2 2 244.404 0.880 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)CCS1 ZINC000380460976 712901052 /nfs/dbraw/zinc/90/10/52/712901052.db2.gz FIYFENZWHOXDAB-VXGBXAGGSA-N 2 2 244.404 0.880 20 0 BCADLP C[N@H+](C[C@@H]1C[C@H]2COC[C@@H]2O1)CC(C)(C)[NH3+] ZINC000724600581 710743420 /nfs/dbraw/zinc/74/34/20/710743420.db2.gz NUCBPBRJDAATRW-DCAQKATOSA-N 2 2 228.336 0.459 20 0 BCADLP C[N@@H+](C[C@@H]1C[C@H]2COC[C@@H]2O1)CC(C)(C)[NH3+] ZINC000724600581 710743426 /nfs/dbraw/zinc/74/34/26/710743426.db2.gz NUCBPBRJDAATRW-DCAQKATOSA-N 2 2 228.336 0.459 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](C)CCO[C@@H]1CCOC1 ZINC000724917217 710749191 /nfs/dbraw/zinc/74/91/91/710749191.db2.gz XJQOPBNOCVJILY-NXEZZACHSA-N 2 2 202.298 0.071 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](C)CCO[C@@H]1CCOC1 ZINC000724917217 710749194 /nfs/dbraw/zinc/74/91/94/710749194.db2.gz XJQOPBNOCVJILY-NXEZZACHSA-N 2 2 202.298 0.071 20 0 BCADLP CC(C)[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042538269 710792097 /nfs/dbraw/zinc/79/20/97/710792097.db2.gz HXHTYIIWMIRJNO-LBPRGKRZSA-N 2 2 239.363 0.632 20 0 BCADLP CC(C)[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042538269 710792100 /nfs/dbraw/zinc/79/21/00/710792100.db2.gz HXHTYIIWMIRJNO-LBPRGKRZSA-N 2 2 239.363 0.632 20 0 BCADLP CCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000396658134 710907820 /nfs/dbraw/zinc/90/78/20/710907820.db2.gz NUSDAMFLFTXQHQ-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP O=C1NCCCC[C@@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000385530955 711014387 /nfs/dbraw/zinc/01/43/87/711014387.db2.gz RGPJZTNLOVMVEV-RJRAAQABSA-N 2 2 249.358 0.241 20 0 BCADLP O=C1NCCCC[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000385530949 711015313 /nfs/dbraw/zinc/01/53/13/711015313.db2.gz RGPJZTNLOVMVEV-LIBFEPKXSA-N 2 2 249.358 0.241 20 0 BCADLP CN(C)C(=O)CC[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000388021318 711050263 /nfs/dbraw/zinc/05/02/63/711050263.db2.gz FKPIDZYGVZBYMH-SECBINFHSA-N 2 2 213.325 0.134 20 0 BCADLP CN(C)C(=O)CC[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000388021318 711050266 /nfs/dbraw/zinc/05/02/66/711050266.db2.gz FKPIDZYGVZBYMH-SECBINFHSA-N 2 2 213.325 0.134 20 0 BCADLP Cn1ncc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000389806908 711088917 /nfs/dbraw/zinc/08/89/17/711088917.db2.gz CKFSKQIMXWWEJS-RKDXNWHRSA-N 2 2 209.297 0.175 20 0 BCADLP C[C@H](C[NH2+]C1CCN(C=O)CC1)[NH+](C)C ZINC000389894581 711096283 /nfs/dbraw/zinc/09/62/83/711096283.db2.gz XWUKVCAVFRIPDC-SNVBAGLBSA-N 2 2 213.325 0.147 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+]Cc1cn(C)cn1 ZINC000390134887 711106084 /nfs/dbraw/zinc/10/60/84/711106084.db2.gz LMBRZNFWZJXQSG-UHFFFAOYSA-N 2 2 219.292 0.715 20 0 BCADLP CC(C)[N@H+](C)CC[NH2+]C1CCN(C=O)CC1 ZINC000390139315 711106160 /nfs/dbraw/zinc/10/61/60/711106160.db2.gz NQHDEVGIWKKFER-UHFFFAOYSA-N 2 2 227.352 0.537 20 0 BCADLP CC(C)[N@@H+](C)CC[NH2+]C1CCN(C=O)CC1 ZINC000390139315 711106164 /nfs/dbraw/zinc/10/61/64/711106164.db2.gz NQHDEVGIWKKFER-UHFFFAOYSA-N 2 2 227.352 0.537 20 0 BCADLP CC[NH+](CC)CC[NH2+]C1CCN(C=O)CC1 ZINC000390401727 711115271 /nfs/dbraw/zinc/11/52/71/711115271.db2.gz ACJOJEKGIVOLSW-UHFFFAOYSA-N 2 2 227.352 0.539 20 0 BCADLP CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000396615510 711357202 /nfs/dbraw/zinc/35/72/02/711357202.db2.gz VMDPGZWLHRNNGE-SNVBAGLBSA-N 2 2 222.292 0.094 20 0 BCADLP CC(C)[C@H](O)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396595694 711360000 /nfs/dbraw/zinc/36/00/00/711360000.db2.gz VTDGJYRQSDHDSK-OUAUKWLOSA-N 2 2 200.326 0.733 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000397970421 711397579 /nfs/dbraw/zinc/39/75/79/711397579.db2.gz MLQXWFKDDHSSIH-ZJUUUORDSA-N 2 2 236.319 0.515 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)CCO[C@@H]1CCOC1 ZINC000724917219 710746054 /nfs/dbraw/zinc/74/60/54/710746054.db2.gz XJQOPBNOCVJILY-VHSXEESVSA-N 2 2 202.298 0.071 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)CCO[C@@H]1CCOC1 ZINC000724917219 710746057 /nfs/dbraw/zinc/74/60/57/710746057.db2.gz XJQOPBNOCVJILY-VHSXEESVSA-N 2 2 202.298 0.071 20 0 BCADLP COC[C@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)OC ZINC000396704647 711366290 /nfs/dbraw/zinc/36/62/90/711366290.db2.gz OCQRFGVJVUJHRD-DCAQKATOSA-N 2 2 216.325 0.378 20 0 BCADLP Cc1cn(C)nc1C[N@H+](C)CCOCC[NH3+] ZINC000723494471 711513007 /nfs/dbraw/zinc/51/30/07/711513007.db2.gz OTFCQWGHZQMXQB-UHFFFAOYSA-N 2 2 226.324 0.136 20 0 BCADLP Cc1cn(C)nc1C[N@@H+](C)CCOCC[NH3+] ZINC000723494471 711513008 /nfs/dbraw/zinc/51/30/08/711513008.db2.gz OTFCQWGHZQMXQB-UHFFFAOYSA-N 2 2 226.324 0.136 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724596500 711596212 /nfs/dbraw/zinc/59/62/12/711596212.db2.gz WDYLUNHFGFJDGT-RNJOBUHISA-N 2 2 240.347 0.604 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@H+]1C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724596500 711596214 /nfs/dbraw/zinc/59/62/14/711596214.db2.gz WDYLUNHFGFJDGT-RNJOBUHISA-N 2 2 240.347 0.604 20 0 BCADLP C[N@H+](C[C@@H]1C[C@H]2COC[C@H]2O1)C1(C[NH3+])CCC1 ZINC000724596490 711596234 /nfs/dbraw/zinc/59/62/34/711596234.db2.gz WCJZQNNEKLKWSQ-SDDRHHMPSA-N 2 2 240.347 0.604 20 0 BCADLP C[N@@H+](C[C@@H]1C[C@H]2COC[C@H]2O1)C1(C[NH3+])CCC1 ZINC000724596490 711596237 /nfs/dbraw/zinc/59/62/37/711596237.db2.gz WCJZQNNEKLKWSQ-SDDRHHMPSA-N 2 2 240.347 0.604 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724596499 711596243 /nfs/dbraw/zinc/59/62/43/711596243.db2.gz WDYLUNHFGFJDGT-QNWHQSFQSA-N 2 2 240.347 0.604 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@H+]1C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724596499 711596244 /nfs/dbraw/zinc/59/62/44/711596244.db2.gz WDYLUNHFGFJDGT-QNWHQSFQSA-N 2 2 240.347 0.604 20 0 BCADLP C[N@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)C1(C[NH3+])CCC1 ZINC000724596492 711596313 /nfs/dbraw/zinc/59/63/13/711596313.db2.gz WCJZQNNEKLKWSQ-WOPDTQHZSA-N 2 2 240.347 0.604 20 0 BCADLP C[N@@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)C1(C[NH3+])CCC1 ZINC000724596492 711596315 /nfs/dbraw/zinc/59/63/15/711596315.db2.gz WCJZQNNEKLKWSQ-WOPDTQHZSA-N 2 2 240.347 0.604 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cnc[nH]3)C[C@@H]2C1 ZINC000724775295 711611293 /nfs/dbraw/zinc/61/12/93/711611293.db2.gz YMDVVOFIROLGOR-MNOVXSKESA-N 2 2 220.320 0.793 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cnc[nH]3)C[C@@H]2C1 ZINC000724775295 711611295 /nfs/dbraw/zinc/61/12/95/711611295.db2.gz YMDVVOFIROLGOR-MNOVXSKESA-N 2 2 220.320 0.793 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cnc[nH]3)C[C@@H]2C1 ZINC000724775295 711611297 /nfs/dbraw/zinc/61/12/97/711611297.db2.gz YMDVVOFIROLGOR-MNOVXSKESA-N 2 2 220.320 0.793 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cnc[nH]3)C[C@@H]2C1 ZINC000724775295 711611299 /nfs/dbraw/zinc/61/12/99/711611299.db2.gz YMDVVOFIROLGOR-MNOVXSKESA-N 2 2 220.320 0.793 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3c[nH]cn3)C[C@@H]2C1 ZINC000724775295 711611301 /nfs/dbraw/zinc/61/13/01/711611301.db2.gz YMDVVOFIROLGOR-MNOVXSKESA-N 2 2 220.320 0.793 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3c[nH]cn3)C[C@@H]2C1 ZINC000724775295 711611303 /nfs/dbraw/zinc/61/13/03/711611303.db2.gz YMDVVOFIROLGOR-MNOVXSKESA-N 2 2 220.320 0.793 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3c[nH]cn3)C[C@@H]2C1 ZINC000724775295 711611304 /nfs/dbraw/zinc/61/13/04/711611304.db2.gz YMDVVOFIROLGOR-MNOVXSKESA-N 2 2 220.320 0.793 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c[nH]cn3)C[C@@H]2C1 ZINC000724775295 711611306 /nfs/dbraw/zinc/61/13/06/711611306.db2.gz YMDVVOFIROLGOR-MNOVXSKESA-N 2 2 220.320 0.793 20 0 BCADLP C[C@@H]1CCC[N@H+](CCO[C@@H]2CCOC2)[C@@H]1C[NH3+] ZINC000724919756 711628074 /nfs/dbraw/zinc/62/80/74/711628074.db2.gz ACRAHNZGIFQRRH-JHJVBQTASA-N 2 2 242.363 0.851 20 0 BCADLP C[C@@H]1CCC[N@@H+](CCO[C@@H]2CCOC2)[C@@H]1C[NH3+] ZINC000724919756 711628076 /nfs/dbraw/zinc/62/80/76/711628076.db2.gz ACRAHNZGIFQRRH-JHJVBQTASA-N 2 2 242.363 0.851 20 0 BCADLP CCC[N@H+](CCO[C@@H]1CCOC1)[C@H]1CC[NH2+]C1 ZINC000724921083 711628533 /nfs/dbraw/zinc/62/85/33/711628533.db2.gz JQTFSMCFLMUUSK-QWHCGFSZSA-N 2 2 242.363 0.866 20 0 BCADLP CCC[N@@H+](CCO[C@@H]1CCOC1)[C@H]1CC[NH2+]C1 ZINC000724921083 711628534 /nfs/dbraw/zinc/62/85/34/711628534.db2.gz JQTFSMCFLMUUSK-QWHCGFSZSA-N 2 2 242.363 0.866 20 0 BCADLP CCC[N@H+](CCO[C@H]1CCOC1)[C@@H]1CC[NH2+]C1 ZINC000724921082 711628567 /nfs/dbraw/zinc/62/85/67/711628567.db2.gz JQTFSMCFLMUUSK-OLZOCXBDSA-N 2 2 242.363 0.866 20 0 BCADLP CCC[N@@H+](CCO[C@H]1CCOC1)[C@@H]1CC[NH2+]C1 ZINC000724921082 711628568 /nfs/dbraw/zinc/62/85/68/711628568.db2.gz JQTFSMCFLMUUSK-OLZOCXBDSA-N 2 2 242.363 0.866 20 0 BCADLP C[C@@H]1CC[N@H+](CCO[C@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000724924591 711629242 /nfs/dbraw/zinc/62/92/42/711629242.db2.gz YIXQNWILOVASJI-AGIUHOORSA-N 2 2 242.363 0.851 20 0 BCADLP C[C@@H]1CC[N@@H+](CCO[C@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000724924591 711629244 /nfs/dbraw/zinc/62/92/44/711629244.db2.gz YIXQNWILOVASJI-AGIUHOORSA-N 2 2 242.363 0.851 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)CCO[C@@H]1CCOC1 ZINC000724935328 711630893 /nfs/dbraw/zinc/63/08/93/711630893.db2.gz HOMMVNOKFQCNTF-VHSXEESVSA-N 2 2 202.298 0.071 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)CCO[C@@H]1CCOC1 ZINC000724935328 711630896 /nfs/dbraw/zinc/63/08/96/711630896.db2.gz HOMMVNOKFQCNTF-VHSXEESVSA-N 2 2 202.298 0.071 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925787917 711751884 /nfs/dbraw/zinc/75/18/84/711751884.db2.gz WXJVFQKPNKJKTD-KXNHARMFSA-N 3 2 223.364 0.701 20 0 BCADLP C[C@@H]([NH3+])CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000037607271 711754181 /nfs/dbraw/zinc/75/41/81/711754181.db2.gz QQDNQNJORRLWQD-LLVKDONJSA-N 2 2 248.330 0.468 20 0 BCADLP CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295447 711804927 /nfs/dbraw/zinc/80/49/27/711804927.db2.gz LHYRDENSQCOAPB-CMPLNLGQSA-N 2 2 248.330 0.505 20 0 BCADLP CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295447 711804928 /nfs/dbraw/zinc/80/49/28/711804928.db2.gz LHYRDENSQCOAPB-CMPLNLGQSA-N 2 2 248.330 0.505 20 0 BCADLP CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633404 711806445 /nfs/dbraw/zinc/80/64/45/711806445.db2.gz MNOHWAHEHSKOER-NWDGAFQWSA-N 2 2 248.330 0.436 20 0 BCADLP CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633404 711806446 /nfs/dbraw/zinc/80/64/46/711806446.db2.gz MNOHWAHEHSKOER-NWDGAFQWSA-N 2 2 248.330 0.436 20 0 BCADLP [NH3+][C@H](CC(=O)NC[C@@H]1CCCC[NH2+]1)C(F)F ZINC000911715496 711819412 /nfs/dbraw/zinc/81/94/12/711819412.db2.gz YMIFEGMVASYSSY-JGVFFNPUSA-N 2 2 235.278 0.227 20 0 BCADLP [NH3+][C@@H](CC(=O)NC[C@@H]1CCCC[NH2+]1)C(F)F ZINC000911715498 711819530 /nfs/dbraw/zinc/81/95/30/711819530.db2.gz YMIFEGMVASYSSY-YUMQZZPRSA-N 2 2 235.278 0.227 20 0 BCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC000913532875 711824510 /nfs/dbraw/zinc/82/45/10/711824510.db2.gz OUXIXVMFUMTNMQ-PHIMTYICSA-N 2 2 234.303 0.257 20 0 BCADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC000913532875 711824512 /nfs/dbraw/zinc/82/45/12/711824512.db2.gz OUXIXVMFUMTNMQ-PHIMTYICSA-N 2 2 234.303 0.257 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000227707015 711832620 /nfs/dbraw/zinc/83/26/20/711832620.db2.gz UNBUIGDRYDGMFN-BWZBUEFSSA-N 2 2 226.242 0.721 20 0 BCADLP CO[C@H]1C[C@@H](C[N@@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC000721921699 711937281 /nfs/dbraw/zinc/93/72/81/711937281.db2.gz YVMJGIKNZLADGC-OUAUKWLOSA-N 2 2 214.309 0.071 20 0 BCADLP CO[C@H]1C[C@@H](C[N@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC000721921699 711937283 /nfs/dbraw/zinc/93/72/83/711937283.db2.gz YVMJGIKNZLADGC-OUAUKWLOSA-N 2 2 214.309 0.071 20 0 BCADLP Cc1cc(NC[C@H]2COCC[N@H+]2C)nc(N)[nH+]1 ZINC000700257455 711989159 /nfs/dbraw/zinc/98/91/59/711989159.db2.gz AUWYICKZFFVREP-VIFPVBQESA-N 2 2 237.307 0.110 20 0 BCADLP Cc1cc(NC[C@H]2COCC[N@@H+]2C)nc(N)[nH+]1 ZINC000700257455 711989160 /nfs/dbraw/zinc/98/91/60/711989160.db2.gz AUWYICKZFFVREP-VIFPVBQESA-N 2 2 237.307 0.110 20 0 BCADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033453809 711992476 /nfs/dbraw/zinc/99/24/76/711992476.db2.gz AAWYQHRIQYOHPA-LLVKDONJSA-N 2 2 236.319 0.505 20 0 BCADLP CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033453809 711992478 /nfs/dbraw/zinc/99/24/78/711992478.db2.gz AAWYQHRIQYOHPA-LLVKDONJSA-N 2 2 236.319 0.505 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC000702071281 712037276 /nfs/dbraw/zinc/03/72/76/712037276.db2.gz LWEDCVYCEMVDED-WCQYABFASA-N 2 2 248.330 0.341 20 0 BCADLP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CNOC3)CC[N@@H+]2C1 ZINC000703308451 712072116 /nfs/dbraw/zinc/07/21/16/712072116.db2.gz CDOYFWYNQUASSM-GMTAPVOTSA-N 2 2 211.309 0.106 20 0 BCADLP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CNOC3)CC[N@H+]2C1 ZINC000703308451 712072117 /nfs/dbraw/zinc/07/21/17/712072117.db2.gz CDOYFWYNQUASSM-GMTAPVOTSA-N 2 2 211.309 0.106 20 0 BCADLP Cc1c(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cnn1C ZINC000703601416 712081856 /nfs/dbraw/zinc/08/18/56/712081856.db2.gz NWSGUWWZTBBKJA-QWHCGFSZSA-N 2 2 234.347 0.770 20 0 BCADLP Cc1c(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cnn1C ZINC000703601416 712081857 /nfs/dbraw/zinc/08/18/57/712081857.db2.gz NWSGUWWZTBBKJA-QWHCGFSZSA-N 2 2 234.347 0.770 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705629494 712133330 /nfs/dbraw/zinc/13/33/30/712133330.db2.gz OVQLCBBFBJVKOT-RTXFEEFZSA-N 2 2 239.363 0.524 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705629494 712133331 /nfs/dbraw/zinc/13/33/31/712133331.db2.gz OVQLCBBFBJVKOT-RTXFEEFZSA-N 2 2 239.363 0.524 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000705629494 712133332 /nfs/dbraw/zinc/13/33/32/712133332.db2.gz OVQLCBBFBJVKOT-RTXFEEFZSA-N 2 2 239.363 0.524 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000705629494 712133334 /nfs/dbraw/zinc/13/33/34/712133334.db2.gz OVQLCBBFBJVKOT-RTXFEEFZSA-N 2 2 239.363 0.524 20 0 BCADLP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)on1 ZINC000705581368 712133659 /nfs/dbraw/zinc/13/36/59/712133659.db2.gz HLXACRYDLHVRAN-SECBINFHSA-N 2 2 225.292 0.854 20 0 BCADLP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)on1 ZINC000705581368 712133660 /nfs/dbraw/zinc/13/36/60/712133660.db2.gz HLXACRYDLHVRAN-SECBINFHSA-N 2 2 225.292 0.854 20 0 BCADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cn(C)cn1 ZINC000710006807 712239217 /nfs/dbraw/zinc/23/92/17/712239217.db2.gz OESDRQASNLIKKZ-JTQLQIEISA-N 2 2 219.292 0.967 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711281505 712292885 /nfs/dbraw/zinc/29/28/85/712292885.db2.gz KTROZOPZANZERY-SECBINFHSA-N 2 2 236.319 0.580 20 0 BCADLP O=C(CCn1cc[nH+]c1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711631989 712313629 /nfs/dbraw/zinc/31/36/29/712313629.db2.gz KFIJZNLOEBVOFI-YPMHNXCESA-N 2 2 248.330 0.674 20 0 BCADLP O=C(CCn1cc[nH+]c1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000711631988 712313660 /nfs/dbraw/zinc/31/36/60/712313660.db2.gz KFIJZNLOEBVOFI-WCQYABFASA-N 2 2 248.330 0.674 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)C[C@H]1CC2(CO1)CCOCC2 ZINC000712620423 712438720 /nfs/dbraw/zinc/43/87/20/712438720.db2.gz ZOQLWOJRHWVKFE-VXGBXAGGSA-N 2 2 242.363 0.851 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)C[C@H]1CC2(CO1)CCOCC2 ZINC000712620423 712438718 /nfs/dbraw/zinc/43/87/18/712438718.db2.gz ZOQLWOJRHWVKFE-VXGBXAGGSA-N 2 2 242.363 0.851 20 0 BCADLP CO[C@H]1C[C@H](C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000714640438 712495173 /nfs/dbraw/zinc/49/51/73/712495173.db2.gz NZOWVVJLISPXJV-FVCCEPFGSA-N 2 2 242.363 0.768 20 0 BCADLP CO[C@H]1C[C@H](C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000714640440 712495273 /nfs/dbraw/zinc/49/52/73/712495273.db2.gz NZOWVVJLISPXJV-RVMXOQNASA-N 2 2 242.363 0.768 20 0 BCADLP CCn1cc(C[NH2+]CCc2c[nH+]cn2C)nn1 ZINC000714935460 712500624 /nfs/dbraw/zinc/50/06/24/712500624.db2.gz KWTGCIPAMBEFOE-UHFFFAOYSA-N 2 2 234.307 0.364 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1COCCO1 ZINC000925487088 712611064 /nfs/dbraw/zinc/61/10/64/712611064.db2.gz VNWPIOVMNVNZMI-UWVGGRQHSA-N 2 2 214.309 0.132 20 0 BCADLP Cc1[nH]c(C[N@H+]2C[C@@H](C)[C@H](O)C2)c(C)[nH+]1 ZINC000930163219 712616048 /nfs/dbraw/zinc/61/60/48/712616048.db2.gz RFNVOGBNLFYPPS-RDDDGLTNSA-N 2 2 209.293 0.839 20 0 BCADLP C[NH2+][C@@H](CC(C)C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000884220076 712644272 /nfs/dbraw/zinc/64/42/72/712644272.db2.gz FSNQCNOJQIUAKL-JTQLQIEISA-N 2 2 238.335 0.703 20 0 BCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCCO ZINC000717427201 712658152 /nfs/dbraw/zinc/65/81/52/712658152.db2.gz UYAMMORHTMRSEH-NWDGAFQWSA-N 2 2 212.337 0.927 20 0 BCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCCO ZINC000717427201 712658153 /nfs/dbraw/zinc/65/81/53/712658153.db2.gz UYAMMORHTMRSEH-NWDGAFQWSA-N 2 2 212.337 0.927 20 0 BCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCCO ZINC000717427201 712658154 /nfs/dbraw/zinc/65/81/54/712658154.db2.gz UYAMMORHTMRSEH-NWDGAFQWSA-N 2 2 212.337 0.927 20 0 BCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCCO ZINC000717427201 712658155 /nfs/dbraw/zinc/65/81/55/712658155.db2.gz UYAMMORHTMRSEH-NWDGAFQWSA-N 2 2 212.337 0.927 20 0 BCADLP C[C@H](CO)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717424171 712658418 /nfs/dbraw/zinc/65/84/18/712658418.db2.gz BAXVGYHOVFAFGL-TUAOUCFPSA-N 2 2 212.337 0.783 20 0 BCADLP C[C@H](CO)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717424171 712658419 /nfs/dbraw/zinc/65/84/19/712658419.db2.gz BAXVGYHOVFAFGL-TUAOUCFPSA-N 2 2 212.337 0.783 20 0 BCADLP C[C@H](CO)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000717424171 712658420 /nfs/dbraw/zinc/65/84/20/712658420.db2.gz BAXVGYHOVFAFGL-TUAOUCFPSA-N 2 2 212.337 0.783 20 0 BCADLP C[C@H](CO)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000717424171 712658421 /nfs/dbraw/zinc/65/84/21/712658421.db2.gz BAXVGYHOVFAFGL-TUAOUCFPSA-N 2 2 212.337 0.783 20 0 BCADLP C1CC1[N@@H+]1CC[C@@H](N[C@H]2C[NH+]3C[C@@H]2CCC3)C1 ZINC000924965516 712709032 /nfs/dbraw/zinc/70/90/32/712709032.db2.gz UUYLOCALIQMUEG-SCRDCRAPSA-N 2 2 235.375 0.907 20 0 BCADLP C1CC1[N@H+]1CC[C@@H](N[C@H]2C[NH+]3C[C@@H]2CCC3)C1 ZINC000924965516 712709034 /nfs/dbraw/zinc/70/90/34/712709034.db2.gz UUYLOCALIQMUEG-SCRDCRAPSA-N 2 2 235.375 0.907 20 0 BCADLP C1CC1[NH+]1CC[C@@H](N[C@H]2C[N@@H+]3C[C@@H]2CCC3)C1 ZINC000924965516 712709036 /nfs/dbraw/zinc/70/90/36/712709036.db2.gz UUYLOCALIQMUEG-SCRDCRAPSA-N 2 2 235.375 0.907 20 0 BCADLP C1CC1[NH+]1CC[C@@H](N[C@H]2C[N@H+]3C[C@@H]2CCC3)C1 ZINC000924965516 712709038 /nfs/dbraw/zinc/70/90/38/712709038.db2.gz UUYLOCALIQMUEG-SCRDCRAPSA-N 2 2 235.375 0.907 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C[C@H]([NH3+])C1CC1 ZINC000380194511 712710627 /nfs/dbraw/zinc/71/06/27/712710627.db2.gz ABJPVYJSQBHIPA-VIFPVBQESA-N 2 2 222.292 0.462 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000719332704 712804384 /nfs/dbraw/zinc/80/43/84/712804384.db2.gz IMALMGUKQXNLFQ-JGVFFNPUSA-N 2 2 237.307 0.572 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000719332704 712804385 /nfs/dbraw/zinc/80/43/85/712804385.db2.gz IMALMGUKQXNLFQ-JGVFFNPUSA-N 2 2 237.307 0.572 20 0 BCADLP COC(=O)CCCC[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720728116 712862947 /nfs/dbraw/zinc/86/29/47/712862947.db2.gz PEHHNEHONLSYAX-SNVBAGLBSA-N 2 2 228.336 0.999 20 0 BCADLP COC(=O)CCCC[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720728116 712862948 /nfs/dbraw/zinc/86/29/48/712862948.db2.gz PEHHNEHONLSYAX-SNVBAGLBSA-N 2 2 228.336 0.999 20 0 BCADLP C(C[NH+]1CCOCC1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000720919292 712878519 /nfs/dbraw/zinc/87/85/19/712878519.db2.gz MHOQMIWWTYSBPB-OLZOCXBDSA-N 2 2 239.363 0.145 20 0 BCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ncnc2c1C[NH2+]C2 ZINC001164635913 719179587 /nfs/dbraw/zinc/17/95/87/719179587.db2.gz MAVOULLBOQGUED-UWVGGRQHSA-N 2 2 247.346 0.609 20 0 BCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ncnc2c1C[NH2+]C2 ZINC001164635913 719179594 /nfs/dbraw/zinc/17/95/94/719179594.db2.gz MAVOULLBOQGUED-UWVGGRQHSA-N 2 2 247.346 0.609 20 0 BCADLP C[C@@H]1CN(c2cc(N)[nH+]cn2)[C@@H](C)C[N@@H+]1C ZINC001164634876 719231447 /nfs/dbraw/zinc/23/14/47/719231447.db2.gz HZOGHWZUNGHXHX-BDAKNGLRSA-N 2 2 221.308 0.588 20 0 BCADLP C[C@@H]1CN(c2cc(N)[nH+]cn2)[C@@H](C)C[N@H+]1C ZINC001164634876 719231448 /nfs/dbraw/zinc/23/14/48/719231448.db2.gz HZOGHWZUNGHXHX-BDAKNGLRSA-N 2 2 221.308 0.588 20 0 BCADLP CCCC[N@H+](CCC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000336650999 398140062 /nfs/dbraw/zinc/14/00/62/398140062.db2.gz RYIOTDQYXPMKCV-NSHDSACASA-N 2 2 248.392 0.624 20 0 BCADLP CCCC[N@@H+](CCC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000336650999 398140065 /nfs/dbraw/zinc/14/00/65/398140065.db2.gz RYIOTDQYXPMKCV-NSHDSACASA-N 2 2 248.392 0.624 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCNC(=O)CC1 ZINC000161616816 349476550 /nfs/dbraw/zinc/47/65/50/349476550.db2.gz IQVKCDUOKMNSNT-LLVKDONJSA-N 2 2 225.336 0.293 20 0 BCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCNC(=O)CC1 ZINC000161616816 349476553 /nfs/dbraw/zinc/47/65/53/349476553.db2.gz IQVKCDUOKMNSNT-LLVKDONJSA-N 2 2 225.336 0.293 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCNC(=O)CC1 ZINC000161616816 349476554 /nfs/dbraw/zinc/47/65/54/349476554.db2.gz IQVKCDUOKMNSNT-LLVKDONJSA-N 2 2 225.336 0.293 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCNC(=O)CC1 ZINC000161616816 349476557 /nfs/dbraw/zinc/47/65/57/349476557.db2.gz IQVKCDUOKMNSNT-LLVKDONJSA-N 2 2 225.336 0.293 20 0 BCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCNC(=O)CC1 ZINC000161616967 349476931 /nfs/dbraw/zinc/47/69/31/349476931.db2.gz IQVKCDUOKMNSNT-NSHDSACASA-N 2 2 225.336 0.293 20 0 BCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCNC(=O)CC1 ZINC000161616967 349476934 /nfs/dbraw/zinc/47/69/34/349476934.db2.gz IQVKCDUOKMNSNT-NSHDSACASA-N 2 2 225.336 0.293 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCNC(=O)CC1 ZINC000161616967 349476936 /nfs/dbraw/zinc/47/69/36/349476936.db2.gz IQVKCDUOKMNSNT-NSHDSACASA-N 2 2 225.336 0.293 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCNC(=O)CC1 ZINC000161616967 349476939 /nfs/dbraw/zinc/47/69/39/349476939.db2.gz IQVKCDUOKMNSNT-NSHDSACASA-N 2 2 225.336 0.293 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2(CC(N)=O)CC2)C1 ZINC000421354903 192322205 /nfs/dbraw/zinc/32/22/05/192322205.db2.gz XSDNWEXXMCWKGZ-GHMZBOCLSA-N 2 2 239.363 0.572 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2(CC(N)=O)CC2)C1 ZINC000421354903 192322208 /nfs/dbraw/zinc/32/22/08/192322208.db2.gz XSDNWEXXMCWKGZ-GHMZBOCLSA-N 2 2 239.363 0.572 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1nncn1C ZINC000156236742 136213546 /nfs/dbraw/zinc/21/35/46/136213546.db2.gz AZGQAYMMXWIHDK-VWYCJHECSA-N 2 2 237.351 0.948 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1nncn1C ZINC000156236742 136213547 /nfs/dbraw/zinc/21/35/47/136213547.db2.gz AZGQAYMMXWIHDK-VWYCJHECSA-N 2 2 237.351 0.948 20 0 BCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](C)C[C@@H]2C)CCO1 ZINC000337247690 187324180 /nfs/dbraw/zinc/32/41/80/187324180.db2.gz KJXHAAPYTKICAX-QWHCGFSZSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](C)C[C@@H]2C)CCO1 ZINC000337247690 187324182 /nfs/dbraw/zinc/32/41/82/187324182.db2.gz KJXHAAPYTKICAX-QWHCGFSZSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1C[NH+](CCN2CC[N@H+](C)C[C@@H]2C)CCO1 ZINC000337247690 187324183 /nfs/dbraw/zinc/32/41/83/187324183.db2.gz KJXHAAPYTKICAX-QWHCGFSZSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](C)C[C@@H]2C)CCO1 ZINC000337247690 187324184 /nfs/dbraw/zinc/32/41/84/187324184.db2.gz KJXHAAPYTKICAX-QWHCGFSZSA-N 2 2 241.379 0.343 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649333361 398150050 /nfs/dbraw/zinc/15/00/50/398150050.db2.gz ORIXPDUFWXBSMU-ZETCQYMHSA-N 2 2 244.245 0.271 20 0 BCADLP C[C@@H]1COCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000677987278 488169900 /nfs/dbraw/zinc/16/99/00/488169900.db2.gz SLXPWYIZIMUWRH-LLVKDONJSA-N 2 2 209.293 0.994 20 0 BCADLP C[C@@H]1COCCC[N@H+]1CCn1cc[nH+]c1 ZINC000677987278 488169907 /nfs/dbraw/zinc/16/99/07/488169907.db2.gz SLXPWYIZIMUWRH-LLVKDONJSA-N 2 2 209.293 0.994 20 0 BCADLP O=C1C[N@H+](CCn2cc[nH+]c2)[C@@H]2CCCC[C@H]2N1 ZINC000245637544 398168581 /nfs/dbraw/zinc/16/85/81/398168581.db2.gz RTUHWUCQNCYAAY-VXGBXAGGSA-N 2 2 248.330 0.626 20 0 BCADLP O=C1C[N@@H+](CCn2cc[nH+]c2)[C@@H]2CCCC[C@H]2N1 ZINC000245637544 398168585 /nfs/dbraw/zinc/16/85/85/398168585.db2.gz RTUHWUCQNCYAAY-VXGBXAGGSA-N 2 2 248.330 0.626 20 0 BCADLP C[N@H+](CCC(=O)N1CC[NH2+]CC1)CC(F)F ZINC000122528402 398179926 /nfs/dbraw/zinc/17/99/26/398179926.db2.gz SQDPPHUDPMTRBZ-UHFFFAOYSA-N 2 2 235.278 0.005 20 0 BCADLP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(F)F ZINC000122528402 398179927 /nfs/dbraw/zinc/17/99/27/398179927.db2.gz SQDPPHUDPMTRBZ-UHFFFAOYSA-N 2 2 235.278 0.005 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C(N)=O)C[N@@H+]1C1CC1 ZINC000163759336 398164522 /nfs/dbraw/zinc/16/45/22/398164522.db2.gz XDSZZCQFIXZKBO-ZJUUUORDSA-N 2 2 239.363 0.713 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C(N)=O)C[N@H+]1C1CC1 ZINC000163759336 398164525 /nfs/dbraw/zinc/16/45/25/398164525.db2.gz XDSZZCQFIXZKBO-ZJUUUORDSA-N 2 2 239.363 0.713 20 0 BCADLP CCN(CC)C(=O)[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342136621 398189051 /nfs/dbraw/zinc/18/90/51/398189051.db2.gz HLGCSKKBZYZXJN-JTQLQIEISA-N 2 2 227.352 0.714 20 0 BCADLP C[NH+](C)Cc1cnc(C[NH2+]CCCO)s1 ZINC000336748125 398197162 /nfs/dbraw/zinc/19/71/62/398197162.db2.gz CKALPEQCLIBSKD-UHFFFAOYSA-N 2 2 229.349 0.677 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000584239839 398184165 /nfs/dbraw/zinc/18/41/65/398184165.db2.gz OBJNYIFUQMIBFD-MWLCHTKSSA-N 2 2 226.324 0.373 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000584239839 398184166 /nfs/dbraw/zinc/18/41/66/398184166.db2.gz OBJNYIFUQMIBFD-MWLCHTKSSA-N 2 2 226.324 0.373 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647796798 398201673 /nfs/dbraw/zinc/20/16/73/398201673.db2.gz OCYDZNUTGCHAQC-UMSGYPCISA-N 3 2 225.380 0.914 20 0 BCADLP C[C@H](CO)CCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336750929 398203066 /nfs/dbraw/zinc/20/30/66/398203066.db2.gz GBDLFTAHAZYDIK-SRVKXCTJSA-N 2 2 214.353 0.935 20 0 BCADLP C[C@H](CO)CCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336750929 398203067 /nfs/dbraw/zinc/20/30/67/398203067.db2.gz GBDLFTAHAZYDIK-SRVKXCTJSA-N 2 2 214.353 0.935 20 0 BCADLP C[C@H](CO)CCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336750931 398203148 /nfs/dbraw/zinc/20/31/48/398203148.db2.gz GBDLFTAHAZYDIK-TUAOUCFPSA-N 2 2 214.353 0.935 20 0 BCADLP C[C@H](CO)CCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336750931 398203151 /nfs/dbraw/zinc/20/31/51/398203151.db2.gz GBDLFTAHAZYDIK-TUAOUCFPSA-N 2 2 214.353 0.935 20 0 BCADLP CN(C(=O)C[N@H+](C)CCC[NH3+])c1nccs1 ZINC000649410176 398209207 /nfs/dbraw/zinc/20/92/07/398209207.db2.gz WTRGVPPZUCQHOM-UHFFFAOYSA-N 2 2 242.348 0.387 20 0 BCADLP CN(C(=O)C[N@@H+](C)CCC[NH3+])c1nccs1 ZINC000649410176 398209212 /nfs/dbraw/zinc/20/92/12/398209212.db2.gz WTRGVPPZUCQHOM-UHFFFAOYSA-N 2 2 242.348 0.387 20 0 BCADLP COC[C@@H](C)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000576344712 365572672 /nfs/dbraw/zinc/57/26/72/365572672.db2.gz ZNACYRHJBAQZAE-STQMWFEESA-N 2 2 244.379 0.705 20 0 BCADLP COC[C@@H](C)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000576344712 365572679 /nfs/dbraw/zinc/57/26/79/365572679.db2.gz ZNACYRHJBAQZAE-STQMWFEESA-N 2 2 244.379 0.705 20 0 BCADLP Cc1cc(NCCN2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC000037498717 178162418 /nfs/dbraw/zinc/16/24/18/178162418.db2.gz NRRXLLKQEMHASL-UHFFFAOYSA-N 2 2 249.362 0.753 20 0 BCADLP Cc1cc(C)n(CC[N@@H+]2CCC[NH2+]CC2)n1 ZINC000386775171 398219712 /nfs/dbraw/zinc/21/97/12/398219712.db2.gz LDMHHAPJFNVHJD-UHFFFAOYSA-N 2 2 222.336 0.795 20 0 BCADLP C[C@H]([NH3+])C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000649411807 398212760 /nfs/dbraw/zinc/21/27/60/398212760.db2.gz DKYQJMQTGBBHAY-JTQLQIEISA-N 2 2 249.362 0.751 20 0 BCADLP Cc1cc(C)n(CC[N@H+]2CCC[NH2+]CC2)n1 ZINC000386775171 398219713 /nfs/dbraw/zinc/21/97/13/398219713.db2.gz LDMHHAPJFNVHJD-UHFFFAOYSA-N 2 2 222.336 0.795 20 0 BCADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)[C@H](C)O ZINC000387085647 398225483 /nfs/dbraw/zinc/22/54/83/398225483.db2.gz ZOMNQNIUMAIFKT-BDAKNGLRSA-N 2 2 226.324 0.345 20 0 BCADLP Cn1cc(CC[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cn1 ZINC000649419571 398220693 /nfs/dbraw/zinc/22/06/93/398220693.db2.gz WIBQOWFGDBQRFM-QWHCGFSZSA-N 2 2 234.347 0.646 20 0 BCADLP Cn1cc(CC[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cn1 ZINC000649419571 398220697 /nfs/dbraw/zinc/22/06/97/398220697.db2.gz WIBQOWFGDBQRFM-QWHCGFSZSA-N 2 2 234.347 0.646 20 0 BCADLP CCC[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000020040832 538930299 /nfs/dbraw/zinc/93/02/99/538930299.db2.gz LLXYHVZZUAVYLF-NSHDSACASA-N 2 2 227.352 0.539 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000639017087 398222675 /nfs/dbraw/zinc/22/26/75/398222675.db2.gz RJAYDGFBZQQANV-GXFFZTMASA-N 2 2 248.330 0.758 20 0 BCADLP CC(C)([NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000262669932 187331998 /nfs/dbraw/zinc/33/19/98/187331998.db2.gz NFUGOGVSQGDBCP-UHFFFAOYSA-N 2 2 232.287 0.688 20 0 BCADLP CC(C)CNC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430572565 398229529 /nfs/dbraw/zinc/22/95/29/398229529.db2.gz OQNBQVFXLHMIAW-GFCCVEGCSA-N 2 2 229.368 0.722 20 0 BCADLP CC[NH+]1CCC([NH2+][C@H](C)C[S@@](C)=O)CC1 ZINC000164500259 361762813 /nfs/dbraw/zinc/76/28/13/361762813.db2.gz ALKORMOFBFHADU-BMIGLBTASA-N 2 2 232.393 0.827 20 0 BCADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH+](C)C ZINC000280395325 538936957 /nfs/dbraw/zinc/93/69/57/538936957.db2.gz VFZGEQZCWKQJIO-SECBINFHSA-N 2 2 224.308 0.409 20 0 BCADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH+](C)C ZINC000280395325 538936959 /nfs/dbraw/zinc/93/69/59/538936959.db2.gz VFZGEQZCWKQJIO-SECBINFHSA-N 2 2 224.308 0.409 20 0 BCADLP C[C@H](O)CC[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431092184 398234145 /nfs/dbraw/zinc/23/41/45/398234145.db2.gz ZIVGZICCHAOLSZ-QMMMGPOBSA-N 2 2 242.323 0.466 20 0 BCADLP C[C@H](O)CC[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431092184 398234148 /nfs/dbraw/zinc/23/41/48/398234148.db2.gz ZIVGZICCHAOLSZ-QMMMGPOBSA-N 2 2 242.323 0.466 20 0 BCADLP C[NH+](C)C1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000281057984 538938608 /nfs/dbraw/zinc/93/86/08/538938608.db2.gz CCJQZJVFSVPBEB-UHFFFAOYSA-N 2 2 222.292 0.115 20 0 BCADLP C[NH+](C)C1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000281057984 538938609 /nfs/dbraw/zinc/93/86/09/538938609.db2.gz CCJQZJVFSVPBEB-UHFFFAOYSA-N 2 2 222.292 0.115 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)C[N@H+](C)C1CCC1 ZINC000629958292 361803964 /nfs/dbraw/zinc/80/39/64/361803964.db2.gz QLINNSZXKKZFRR-UHFFFAOYSA-N 2 2 236.319 0.521 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)C[N@@H+](C)C1CCC1 ZINC000629958292 361803966 /nfs/dbraw/zinc/80/39/66/361803966.db2.gz QLINNSZXKKZFRR-UHFFFAOYSA-N 2 2 236.319 0.521 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(O)CC1 ZINC000381064888 398252299 /nfs/dbraw/zinc/25/22/99/398252299.db2.gz MLKIUKYFQXWPRA-LBPRGKRZSA-N 2 2 230.352 0.144 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(O)CC1 ZINC000381064888 398252300 /nfs/dbraw/zinc/25/23/00/398252300.db2.gz MLKIUKYFQXWPRA-LBPRGKRZSA-N 2 2 230.352 0.144 20 0 BCADLP CC(C)[N@H+](C)CC(=O)NCc1c[nH+]cn1C ZINC000291099526 538947758 /nfs/dbraw/zinc/94/77/58/538947758.db2.gz BKUYWHVTQJHMJU-UHFFFAOYSA-N 2 2 224.308 0.377 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)NCc1c[nH+]cn1C ZINC000291099526 538947760 /nfs/dbraw/zinc/94/77/60/538947760.db2.gz BKUYWHVTQJHMJU-UHFFFAOYSA-N 2 2 224.308 0.377 20 0 BCADLP NC(=O)c1cccc(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000576767407 365677068 /nfs/dbraw/zinc/67/70/68/365677068.db2.gz KMDHWNRUFLKXLO-UHFFFAOYSA-N 2 2 247.342 0.971 20 0 BCADLP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2O)C[N@@H+]1C1CC1 ZINC000378751499 346827331 /nfs/dbraw/zinc/82/73/31/346827331.db2.gz VCUUSNTXWYEOBI-GAIPPQHRSA-N 2 2 210.321 0.725 20 0 BCADLP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2O)C[N@H+]1C1CC1 ZINC000378751499 346827332 /nfs/dbraw/zinc/82/73/32/346827332.db2.gz VCUUSNTXWYEOBI-GAIPPQHRSA-N 2 2 210.321 0.725 20 0 BCADLP CC(C)CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000182372188 538963329 /nfs/dbraw/zinc/96/33/29/538963329.db2.gz WTSAIZLYIHJWIW-UHFFFAOYSA-N 2 2 241.379 0.738 20 0 BCADLP CC(C)CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000182372188 538963330 /nfs/dbraw/zinc/96/33/30/538963330.db2.gz WTSAIZLYIHJWIW-UHFFFAOYSA-N 2 2 241.379 0.738 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1[nH+]ccn1C ZINC000165447072 361840748 /nfs/dbraw/zinc/84/07/48/361840748.db2.gz JHMNWAKSYXCTBR-JGVFFNPUSA-N 2 2 210.281 0.020 20 0 BCADLP C[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCC1 ZINC000630001651 361888195 /nfs/dbraw/zinc/88/81/95/361888195.db2.gz LPSNCTJPJIFRKY-UHFFFAOYSA-N 2 2 236.319 0.221 20 0 BCADLP CCN(CC)C(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000036301436 342809067 /nfs/dbraw/zinc/80/90/67/342809067.db2.gz TWJFNAVOLULRMM-UHFFFAOYSA-N 2 2 227.352 0.539 20 0 BCADLP CCN(CC)C(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000036301436 342809068 /nfs/dbraw/zinc/80/90/68/342809068.db2.gz TWJFNAVOLULRMM-UHFFFAOYSA-N 2 2 227.352 0.539 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CCCOC1 ZINC000186577460 538974166 /nfs/dbraw/zinc/97/41/66/538974166.db2.gz PVOIUTVYEYYAEK-LLVKDONJSA-N 2 2 216.325 0.069 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCCOC1 ZINC000186577460 538974167 /nfs/dbraw/zinc/97/41/67/538974167.db2.gz PVOIUTVYEYYAEK-LLVKDONJSA-N 2 2 216.325 0.069 20 0 BCADLP CSC[C@@H]1CCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000400007454 398290053 /nfs/dbraw/zinc/29/00/53/398290053.db2.gz SPSWSKOCLROYCW-WDEREUQCSA-N 2 2 230.377 0.802 20 0 BCADLP CSC[C@@H]1CCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000400007454 398290054 /nfs/dbraw/zinc/29/00/54/398290054.db2.gz SPSWSKOCLROYCW-WDEREUQCSA-N 2 2 230.377 0.802 20 0 BCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)[C@@H](C)C[NH2+]1 ZINC000086468218 398292389 /nfs/dbraw/zinc/29/23/89/398292389.db2.gz VYKMGGYILAQSHI-MNOVXSKESA-N 2 2 236.319 0.482 20 0 BCADLP [NH3+]CC[N@H+](CCCO)Cc1ccccc1 ZINC000043444096 538980829 /nfs/dbraw/zinc/98/08/29/538980829.db2.gz YXHOPKSMSUQOSC-UHFFFAOYSA-N 2 2 208.305 0.830 20 0 BCADLP [NH3+]CC[N@@H+](CCCO)Cc1ccccc1 ZINC000043444096 538980831 /nfs/dbraw/zinc/98/08/31/538980831.db2.gz YXHOPKSMSUQOSC-UHFFFAOYSA-N 2 2 208.305 0.830 20 0 BCADLP COc1ccncc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000379875123 538980883 /nfs/dbraw/zinc/98/08/83/538980883.db2.gz RQRNJZABXLBOAJ-QWRGUYRKSA-N 2 2 233.315 0.741 20 0 BCADLP c1c[nH+]c(Cn2cc(C[C@@H]3CCC[NH2+]C3)nn2)[nH]1 ZINC000640754633 361992714 /nfs/dbraw/zinc/99/27/14/361992714.db2.gz MPFMIASVBOTZOU-JTQLQIEISA-N 2 2 246.318 0.592 20 0 BCADLP c1c[nH+]c(Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)[nH]1 ZINC000640754867 361993294 /nfs/dbraw/zinc/99/32/94/361993294.db2.gz QLUJVPCIPWZWMY-VIFPVBQESA-N 2 2 232.291 0.202 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000380229870 346867739 /nfs/dbraw/zinc/86/77/39/346867739.db2.gz QGJCATWRXKVUDO-IONNQARKSA-N 2 2 222.292 0.332 20 0 BCADLP Cn1cc(CC[NH+]2CCC([NH+](C)C)CC2)nn1 ZINC000625081463 342850190 /nfs/dbraw/zinc/85/01/90/342850190.db2.gz QAYPFKRBXGBJGU-UHFFFAOYSA-N 2 2 237.351 0.384 20 0 BCADLP Cc1cc(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)c[nH+]1 ZINC000519351766 398303321 /nfs/dbraw/zinc/30/33/21/398303321.db2.gz PWAWTCZKZUDHLB-IAZYJMLFSA-N 2 2 246.314 0.460 20 0 BCADLP Cc1nn(C)cc1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000335646115 136243717 /nfs/dbraw/zinc/24/37/17/136243717.db2.gz LLMZYWSURJDQHQ-NSHDSACASA-N 2 2 222.336 0.959 20 0 BCADLP COc1cncc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000625103453 342858632 /nfs/dbraw/zinc/85/86/32/342858632.db2.gz YQHHDINJZMHVLI-NXEZZACHSA-N 2 2 234.303 0.136 20 0 BCADLP CC(C)n1cc(C[NH2+]CCc2c[nH+]cn2C)nn1 ZINC000401663654 342896754 /nfs/dbraw/zinc/89/67/54/342896754.db2.gz ZMQXGTWZUGZCGH-UHFFFAOYSA-N 2 2 248.334 0.925 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000167330076 136245682 /nfs/dbraw/zinc/24/56/82/136245682.db2.gz GJROZNCNXIBHMY-IUCAKERBSA-N 2 2 201.314 0.051 20 0 BCADLP COCC[NH2+]CC[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000385989834 342893570 /nfs/dbraw/zinc/89/35/70/342893570.db2.gz ARVIIIITAHLTGL-GARJFASQSA-N 2 2 200.326 0.857 20 0 BCADLP CC[NH+](CC)CCC[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000352800884 398323671 /nfs/dbraw/zinc/32/36/71/398323671.db2.gz QRGLXDFBJNGEFC-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000352800884 398323672 /nfs/dbraw/zinc/32/36/72/398323672.db2.gz QRGLXDFBJNGEFC-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP CC[C@H]([NH3+])CNC(=O)/C=C/c1[nH+]ccn1CC ZINC000493768844 529442980 /nfs/dbraw/zinc/44/29/80/529442980.db2.gz DUQFUJZFSGQKDQ-PORFMDCZSA-N 2 2 236.319 0.770 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000380231775 346883989 /nfs/dbraw/zinc/88/39/89/346883989.db2.gz REGHEZHHEHGQAL-BQBZGAKWSA-N 2 2 210.281 0.318 20 0 BCADLP CC[C@H]([NH3+])CNC(=O)/C=C\c1[nH+]ccn1CC ZINC000493768843 529443403 /nfs/dbraw/zinc/44/34/03/529443403.db2.gz DUQFUJZFSGQKDQ-OMMCCPJFSA-N 2 2 236.319 0.770 20 0 BCADLP CO[C@H](C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)C1CC1 ZINC000261981525 536644047 /nfs/dbraw/zinc/64/40/47/536644047.db2.gz IDDDMBKDOFWEJB-WCFLWFBJSA-N 2 2 242.363 0.768 20 0 BCADLP COC[C@H](C)C[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000189502645 346891184 /nfs/dbraw/zinc/89/11/84/346891184.db2.gz KXYQDTRRIRYPDK-GFCCVEGCSA-N 2 2 244.379 0.657 20 0 BCADLP COC[C@H](C)C[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000189502645 346891186 /nfs/dbraw/zinc/89/11/86/346891186.db2.gz KXYQDTRRIRYPDK-GFCCVEGCSA-N 2 2 244.379 0.657 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCO[C@H](C)C1 ZINC000381149914 344019056 /nfs/dbraw/zinc/01/90/56/344019056.db2.gz OSWLWUXVTJLJCQ-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCO[C@H](C)C1 ZINC000381149914 344019059 /nfs/dbraw/zinc/01/90/59/344019059.db2.gz OSWLWUXVTJLJCQ-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCO[C@H](C)C1 ZINC000381149914 344019060 /nfs/dbraw/zinc/01/90/60/344019060.db2.gz OSWLWUXVTJLJCQ-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCO[C@H](C)C1 ZINC000381149914 344019063 /nfs/dbraw/zinc/01/90/63/344019063.db2.gz OSWLWUXVTJLJCQ-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[C@@H]([NH3+])C1 ZINC000493817198 529550819 /nfs/dbraw/zinc/55/08/19/529550819.db2.gz HYLKNRNGWWCOMD-HMDXOVGESA-N 2 2 234.303 0.476 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[NH2+]CC1 ZINC000493054896 529550849 /nfs/dbraw/zinc/55/08/49/529550849.db2.gz SCJDERBSOOJRRD-ONEGZZNKSA-N 2 2 234.303 0.348 20 0 BCADLP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678080292 488193132 /nfs/dbraw/zinc/19/31/32/488193132.db2.gz WWJLCTYIXGJCTI-GFCCVEGCSA-N 2 2 239.363 0.809 20 0 BCADLP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678080292 488193136 /nfs/dbraw/zinc/19/31/36/488193136.db2.gz WWJLCTYIXGJCTI-GFCCVEGCSA-N 2 2 239.363 0.809 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[NH2+]C[C@H]1C ZINC000493143896 529558062 /nfs/dbraw/zinc/55/80/62/529558062.db2.gz ALCHXVIICPBIJJ-DOGVGXBMSA-N 2 2 248.330 0.737 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)NCC[NH2+]C ZINC000493705410 529559589 /nfs/dbraw/zinc/55/95/89/529559589.db2.gz JVDXWBSLNFVCLL-PLNGDYQASA-N 2 2 222.292 0.252 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000493591601 529560128 /nfs/dbraw/zinc/56/01/28/529560128.db2.gz WNEFAMJLQUFATN-ISALQUGTSA-N 2 2 248.330 0.784 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N(C)C1CC([NH3+])C1 ZINC000493671538 529549696 /nfs/dbraw/zinc/54/96/96/529549696.db2.gz BCUZEYOMXLQVRA-SNAWJCMRSA-N 2 2 248.330 0.864 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2ccncc2)C1 ZINC000351856990 136258699 /nfs/dbraw/zinc/25/86/99/136258699.db2.gz AIEPKLYKDATBMW-WDEREUQCSA-N 2 2 248.330 0.111 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2ccncc2)C1 ZINC000351856990 136258700 /nfs/dbraw/zinc/25/87/00/136258700.db2.gz AIEPKLYKDATBMW-WDEREUQCSA-N 2 2 248.330 0.111 20 0 BCADLP C[NH+]1CCC([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000020305971 342981209 /nfs/dbraw/zinc/98/12/09/342981209.db2.gz ORAFHJTZWKNHLZ-UHFFFAOYSA-N 3 2 222.336 0.957 20 0 BCADLP COC(=O)C(C)(C)[NH2+]CCc1c[nH+]cn1C ZINC000602773366 349727067 /nfs/dbraw/zinc/72/70/67/349727067.db2.gz OZDVZSAGWYUESV-UHFFFAOYSA-N 2 2 225.292 0.504 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](O)C[C@@H]2C)n1C ZINC000668045637 488194232 /nfs/dbraw/zinc/19/42/32/488194232.db2.gz WOTKIMNKSSSAMT-KWQFWETISA-N 2 2 209.293 0.684 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)n1C ZINC000668045637 488194236 /nfs/dbraw/zinc/19/42/36/488194236.db2.gz WOTKIMNKSSSAMT-KWQFWETISA-N 2 2 209.293 0.684 20 0 BCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1=[NH+]CCS1 ZINC000368104306 187221363 /nfs/dbraw/zinc/22/13/63/187221363.db2.gz DROBGEQQQSUXKM-IUCAKERBSA-N 2 2 241.360 0.840 20 0 BCADLP CCc1nncn1CC[NH2+]Cc1c[nH+]c(C)n1C ZINC000576837621 365700628 /nfs/dbraw/zinc/70/06/28/365700628.db2.gz JBUYMPUUPLUNAF-UHFFFAOYSA-N 2 2 248.334 0.672 20 0 BCADLP COCCOC[C@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000576838981 365702382 /nfs/dbraw/zinc/70/23/82/365702382.db2.gz VOHADXOEHXCDJI-JTQLQIEISA-N 2 2 241.335 0.870 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)Cn1cccn1 ZINC000049235049 343096976 /nfs/dbraw/zinc/09/69/76/343096976.db2.gz JQMBOWKGRKPJGH-NEPJUHHUSA-N 2 2 249.318 0.119 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)c1c[nH+]ccc1N ZINC000127687923 343178471 /nfs/dbraw/zinc/17/84/71/343178471.db2.gz ZQGPZYQDJNFNEC-UHFFFAOYSA-N 2 2 245.286 0.670 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000130242364 343180566 /nfs/dbraw/zinc/18/05/66/343180566.db2.gz JAMDDNJUICLHIV-GFCCVEGCSA-N 2 2 239.363 0.714 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000093216157 343151142 /nfs/dbraw/zinc/15/11/42/343151142.db2.gz SKLUKIFSVJSGGH-YNEHKIRRSA-N 3 2 240.395 0.092 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000093216157 343151146 /nfs/dbraw/zinc/15/11/46/343151146.db2.gz SKLUKIFSVJSGGH-YNEHKIRRSA-N 3 2 240.395 0.092 20 0 BCADLP C[N@@H+]1CCN(Cc2ccccc2F)[C@H](C[NH3+])C1 ZINC000122450578 343159451 /nfs/dbraw/zinc/15/94/51/343159451.db2.gz ZLJCMRJYEMWFAE-GFCCVEGCSA-N 2 2 237.322 0.900 20 0 BCADLP C[N@H+]1CCN(Cc2ccccc2F)[C@H](C[NH3+])C1 ZINC000122450578 343159452 /nfs/dbraw/zinc/15/94/52/343159452.db2.gz ZLJCMRJYEMWFAE-GFCCVEGCSA-N 2 2 237.322 0.900 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NC1CCCC1 ZINC000124586164 343163217 /nfs/dbraw/zinc/16/32/17/343163217.db2.gz ZYAIFNHCVWWOKP-MNOVXSKESA-N 2 2 239.363 0.857 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NC1CCCC1 ZINC000124586164 343163219 /nfs/dbraw/zinc/16/32/19/343163219.db2.gz ZYAIFNHCVWWOKP-MNOVXSKESA-N 2 2 239.363 0.857 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cncn1C ZINC000133616415 343185308 /nfs/dbraw/zinc/18/53/08/343185308.db2.gz OIKMTPBXSKEHBU-ZJUUUORDSA-N 2 2 208.309 0.732 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cncn1C ZINC000133616415 343185309 /nfs/dbraw/zinc/18/53/09/343185309.db2.gz OIKMTPBXSKEHBU-ZJUUUORDSA-N 2 2 208.309 0.732 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CCN1Cc1c[nH+]cn1C ZINC000133616415 343185311 /nfs/dbraw/zinc/18/53/11/343185311.db2.gz OIKMTPBXSKEHBU-ZJUUUORDSA-N 2 2 208.309 0.732 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000125152539 343166054 /nfs/dbraw/zinc/16/60/54/343166054.db2.gz YHHWPMHZTHPMNI-DTWKUNHWSA-N 2 2 222.292 0.066 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccn(C)n2)C1 ZINC000123884296 343166426 /nfs/dbraw/zinc/16/64/26/343166426.db2.gz QRFWQYZDMYIKEL-NSHDSACASA-N 2 2 222.336 0.852 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccn(C)n2)C1 ZINC000123884296 343166429 /nfs/dbraw/zinc/16/64/29/343166429.db2.gz QRFWQYZDMYIKEL-NSHDSACASA-N 2 2 222.336 0.852 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC000123982617 343166669 /nfs/dbraw/zinc/16/66/69/343166669.db2.gz XQOKJHZSSQFLRJ-SNVBAGLBSA-N 2 2 208.309 0.461 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC000123982617 343166670 /nfs/dbraw/zinc/16/66/70/343166670.db2.gz XQOKJHZSSQFLRJ-SNVBAGLBSA-N 2 2 208.309 0.461 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000133606049 343185495 /nfs/dbraw/zinc/18/54/95/343185495.db2.gz ZLJWCHNZWKWZSH-GHMZBOCLSA-N 2 2 227.352 0.570 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000133606049 343185498 /nfs/dbraw/zinc/18/54/98/343185498.db2.gz ZLJWCHNZWKWZSH-GHMZBOCLSA-N 2 2 227.352 0.570 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCCCCn1cc[nH+]c1 ZINC000156862269 343199366 /nfs/dbraw/zinc/19/93/66/343199366.db2.gz MJWRTPLCAOJUMI-WDEREUQCSA-N 2 2 238.335 0.763 20 0 BCADLP CC(C)C[C@H](CO)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336767313 136276091 /nfs/dbraw/zinc/27/60/91/136276091.db2.gz SXTNGWLDVQRKCE-QJPTWQEYSA-N 2 2 214.353 0.933 20 0 BCADLP CC(C)C[C@H](CO)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336767313 136276092 /nfs/dbraw/zinc/27/60/92/136276092.db2.gz SXTNGWLDVQRKCE-QJPTWQEYSA-N 2 2 214.353 0.933 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC000133602582 343191300 /nfs/dbraw/zinc/19/13/00/343191300.db2.gz YHGDNDXDQWRXFC-VHSXEESVSA-N 2 2 225.336 0.419 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N(C)C1CC1 ZINC000133602582 343191302 /nfs/dbraw/zinc/19/13/02/343191302.db2.gz YHGDNDXDQWRXFC-VHSXEESVSA-N 2 2 225.336 0.419 20 0 BCADLP CC[N@H+](CC(C)C)C[C@H]1C[NH2+]CCO1 ZINC000043802175 488209042 /nfs/dbraw/zinc/20/90/42/488209042.db2.gz BKPOJZIUCUOCFV-LLVKDONJSA-N 2 2 200.326 0.953 20 0 BCADLP CC[N@@H+](CC(C)C)C[C@H]1C[NH2+]CCO1 ZINC000043802175 488209043 /nfs/dbraw/zinc/20/90/43/488209043.db2.gz BKPOJZIUCUOCFV-LLVKDONJSA-N 2 2 200.326 0.953 20 0 BCADLP CC(C)CC[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000043802637 488208248 /nfs/dbraw/zinc/20/82/48/488208248.db2.gz WLHFVBVRSNADMW-NSHDSACASA-N 2 2 200.326 0.953 20 0 BCADLP CC(C)CC[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000043802637 488208250 /nfs/dbraw/zinc/20/82/50/488208250.db2.gz WLHFVBVRSNADMW-NSHDSACASA-N 2 2 200.326 0.953 20 0 BCADLP CC1(C)C[C@@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)CCO1 ZINC000634687073 343235792 /nfs/dbraw/zinc/23/57/92/343235792.db2.gz XPXOPZRSQHTPNH-RYUDHWBXSA-N 2 2 242.363 0.600 20 0 BCADLP CC1(C)C[C@@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)CCO1 ZINC000634687073 343235793 /nfs/dbraw/zinc/23/57/93/343235793.db2.gz XPXOPZRSQHTPNH-RYUDHWBXSA-N 2 2 242.363 0.600 20 0 BCADLP C[N@H+](C[C@H]1CCCCO1)C[C@@H]1C[NH2+]CCO1 ZINC000043802669 488208508 /nfs/dbraw/zinc/20/85/08/488208508.db2.gz FSKFQXVLMVMAEA-NEPJUHHUSA-N 2 2 228.336 0.476 20 0 BCADLP C[N@@H+](C[C@H]1CCCCO1)C[C@@H]1C[NH2+]CCO1 ZINC000043802669 488208513 /nfs/dbraw/zinc/20/85/13/488208513.db2.gz FSKFQXVLMVMAEA-NEPJUHHUSA-N 2 2 228.336 0.476 20 0 BCADLP Cn1nccc1CC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000634687880 343245021 /nfs/dbraw/zinc/24/50/21/343245021.db2.gz BTMIJNHMQQLXDX-DGCLKSJQSA-N 2 2 234.347 0.646 20 0 BCADLP Cn1nccc1CC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000634687880 343245023 /nfs/dbraw/zinc/24/50/23/343245023.db2.gz BTMIJNHMQQLXDX-DGCLKSJQSA-N 2 2 234.347 0.646 20 0 BCADLP C[C@@H]1CC[C@H](C[N@@H+]2CC3CC2(C[NH3+])C3)O1 ZINC000634688209 343246571 /nfs/dbraw/zinc/24/65/71/343246571.db2.gz LVYBYWDOHXUCMX-QTAHKJALSA-N 2 2 210.321 0.977 20 0 BCADLP C[C@@H]1CC[C@H](C[N@H+]2CC3CC2(C[NH3+])C3)O1 ZINC000634688209 343246572 /nfs/dbraw/zinc/24/65/72/343246572.db2.gz LVYBYWDOHXUCMX-QTAHKJALSA-N 2 2 210.321 0.977 20 0 BCADLP C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@@H](F)[C@H]([NH3+])C2)O1 ZINC000634688505 343248115 /nfs/dbraw/zinc/24/81/15/343248115.db2.gz UYZJLMXDHRAYQW-LMLFDSFASA-N 2 2 216.300 0.925 20 0 BCADLP C[C@@H]1CC[C@@H](C[N@H+]2CC[C@@H](F)[C@H]([NH3+])C2)O1 ZINC000634688505 343248116 /nfs/dbraw/zinc/24/81/16/343248116.db2.gz UYZJLMXDHRAYQW-LMLFDSFASA-N 2 2 216.300 0.925 20 0 BCADLP CCCC[C@H](C(=O)OC)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000608991199 343252939 /nfs/dbraw/zinc/25/29/39/343252939.db2.gz LHFKTZHDUVEXOV-IJLUTSLNSA-N 2 2 240.347 0.869 20 0 BCADLP Cc1cnc(CC[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)nc1 ZINC000340107498 136286261 /nfs/dbraw/zinc/28/62/61/136286261.db2.gz FCIILGCZASCVRD-NWDGAFQWSA-N 2 2 234.347 0.867 20 0 BCADLP Cc1cnc(CC[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)nc1 ZINC000340107498 136286262 /nfs/dbraw/zinc/28/62/62/136286262.db2.gz FCIILGCZASCVRD-NWDGAFQWSA-N 2 2 234.347 0.867 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[NH2+]1 ZINC000036999307 343330189 /nfs/dbraw/zinc/33/01/89/343330189.db2.gz JOWCBABBCYMHMW-VHSXEESVSA-N 2 2 222.292 0.140 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CSC[NH2+]1 ZINC000036999440 343330200 /nfs/dbraw/zinc/33/02/00/343330200.db2.gz ZYCAHAFCGVRKOU-BDAKNGLRSA-N 2 2 240.332 0.050 20 0 BCADLP Cn1c[nH+]c(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)c1 ZINC000641054365 362163923 /nfs/dbraw/zinc/16/39/23/362163923.db2.gz XLLUNTBIFCHROM-SNVBAGLBSA-N 2 2 246.318 0.527 20 0 BCADLP C[NH+]1CCC([NH2+]Cc2cccc(C(N)=O)c2)CC1 ZINC000037118215 343334735 /nfs/dbraw/zinc/33/47/35/343334735.db2.gz UEKLWLSBMFHBMI-UHFFFAOYSA-N 2 2 247.342 0.969 20 0 BCADLP CCC[C@](C)([NH3+])C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000037621624 343349443 /nfs/dbraw/zinc/34/94/43/343349443.db2.gz CTVWITCYDLSTCQ-JQWIXIFHSA-N 2 2 238.335 0.905 20 0 BCADLP O=C1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)CN1C1CC1 ZINC000335648871 136304771 /nfs/dbraw/zinc/30/47/71/136304771.db2.gz IAPWKYYWQRABCC-NXEZZACHSA-N 2 2 223.320 0.091 20 0 BCADLP c1cn(CC[N@@H+]2CCOCC23CC3)c[nH+]1 ZINC000335668387 136312336 /nfs/dbraw/zinc/31/23/36/136312336.db2.gz CQSMXEXLCDSIKT-UHFFFAOYSA-N 2 2 207.277 0.748 20 0 BCADLP c1cn(CC[N@H+]2CCOCC23CC3)c[nH+]1 ZINC000335668387 136312337 /nfs/dbraw/zinc/31/23/37/136312337.db2.gz CQSMXEXLCDSIKT-UHFFFAOYSA-N 2 2 207.277 0.748 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040462036 343404708 /nfs/dbraw/zinc/40/47/08/343404708.db2.gz ILNCKVRFQOZOKD-NXEZZACHSA-N 2 2 238.335 0.761 20 0 BCADLP [NH3+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000041028408 343412490 /nfs/dbraw/zinc/41/24/90/343412490.db2.gz RPCLPKKXTNFJMK-SNVBAGLBSA-N 2 2 222.292 0.223 20 0 BCADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)N2CCC2)CC[N@@H+]1C ZINC000335736013 136350115 /nfs/dbraw/zinc/35/01/15/136350115.db2.gz JHVCISOLLYMDSB-RYUDHWBXSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)N2CCC2)CC[N@H+]1C ZINC000335736013 136350116 /nfs/dbraw/zinc/35/01/16/136350116.db2.gz JHVCISOLLYMDSB-RYUDHWBXSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CCC2)CC[NH+]1C ZINC000335736013 136350117 /nfs/dbraw/zinc/35/01/17/136350117.db2.gz JHVCISOLLYMDSB-RYUDHWBXSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCC2)CC[NH+]1C ZINC000335736013 136350118 /nfs/dbraw/zinc/35/01/18/136350118.db2.gz JHVCISOLLYMDSB-RYUDHWBXSA-N 2 2 239.363 0.633 20 0 BCADLP C[NH2+]Cc1cn(Cc2cc[nH+]c(C)c2)nn1 ZINC000641088996 362212651 /nfs/dbraw/zinc/21/26/51/362212651.db2.gz MBNOKNCITISKOL-UHFFFAOYSA-N 2 2 217.276 0.749 20 0 BCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000576983527 365742273 /nfs/dbraw/zinc/74/22/73/365742273.db2.gz UULUUUWYXIPTET-MNOVXSKESA-N 2 2 248.330 0.608 20 0 BCADLP CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351114063 136367840 /nfs/dbraw/zinc/36/78/40/136367840.db2.gz JPUWETJXFVCODU-USZNOCQGSA-N 2 2 239.363 0.700 20 0 BCADLP CCC[N@H+](C)CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351110421 136367898 /nfs/dbraw/zinc/36/78/98/136367898.db2.gz CIVSWHFZXVPPQS-TUAOUCFPSA-N 2 2 239.363 0.524 20 0 BCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351110421 136367899 /nfs/dbraw/zinc/36/78/99/136367899.db2.gz CIVSWHFZXVPPQS-TUAOUCFPSA-N 2 2 239.363 0.524 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@](C)(F)C1)C1CC1 ZINC000351575251 136369488 /nfs/dbraw/zinc/36/94/88/136369488.db2.gz SEPNPKOEDXOTEU-NWDGAFQWSA-N 2 2 230.327 0.875 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@](C)(F)C1)C1CC1 ZINC000351575251 136369489 /nfs/dbraw/zinc/36/94/89/136369489.db2.gz SEPNPKOEDXOTEU-NWDGAFQWSA-N 2 2 230.327 0.875 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@](C)(F)C1)C1CC1 ZINC000351575251 136369490 /nfs/dbraw/zinc/36/94/90/136369490.db2.gz SEPNPKOEDXOTEU-NWDGAFQWSA-N 2 2 230.327 0.875 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@](C)(F)C1)C1CC1 ZINC000351575251 136369491 /nfs/dbraw/zinc/36/94/91/136369491.db2.gz SEPNPKOEDXOTEU-NWDGAFQWSA-N 2 2 230.327 0.875 20 0 BCADLP Cc1ncsc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000082632869 343458458 /nfs/dbraw/zinc/45/84/58/343458458.db2.gz VBEDJWYMCPLHIS-MRVPVSSYSA-N 2 2 215.322 0.203 20 0 BCADLP Cc1ncsc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000082632869 343458459 /nfs/dbraw/zinc/45/84/59/343458459.db2.gz VBEDJWYMCPLHIS-MRVPVSSYSA-N 2 2 215.322 0.203 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H]1C ZINC000310403949 343484187 /nfs/dbraw/zinc/48/41/87/343484187.db2.gz NSZZIXOXXMHXHC-AGIUHOORSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H]1C ZINC000310403949 343484189 /nfs/dbraw/zinc/48/41/89/343484189.db2.gz NSZZIXOXXMHXHC-AGIUHOORSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000310403949 343484191 /nfs/dbraw/zinc/48/41/91/343484191.db2.gz NSZZIXOXXMHXHC-AGIUHOORSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000310403949 343484194 /nfs/dbraw/zinc/48/41/94/343484194.db2.gz NSZZIXOXXMHXHC-AGIUHOORSA-N 2 2 244.379 0.656 20 0 BCADLP C[NH+]1CCC(CCO)(NCc2[nH]cc[nH+]2)CC1 ZINC000577004667 365754403 /nfs/dbraw/zinc/75/44/03/365754403.db2.gz OXSNLNZIINRYDS-UHFFFAOYSA-N 2 2 238.335 0.346 20 0 BCADLP C[NH+](C)CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000082943696 343472433 /nfs/dbraw/zinc/47/24/33/343472433.db2.gz FLRXZNLSQCUWQQ-MXWKQRLJSA-N 2 2 212.337 0.951 20 0 BCADLP C[N@@H+]1CCN(CC[NH+]2CCOCC2)CC1(C)C ZINC000568167590 343558835 /nfs/dbraw/zinc/55/88/35/343558835.db2.gz JIYNDECVJDNGJA-UHFFFAOYSA-N 2 2 241.379 0.345 20 0 BCADLP C[N@H+]1CCN(CC[NH+]2CCOCC2)CC1(C)C ZINC000568167590 343558838 /nfs/dbraw/zinc/55/88/38/343558838.db2.gz JIYNDECVJDNGJA-UHFFFAOYSA-N 2 2 241.379 0.345 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)CC[NH2+]C(C)C ZINC000379966360 365769345 /nfs/dbraw/zinc/76/93/45/365769345.db2.gz HOXOLMRCCPDVQB-UHFFFAOYSA-N 2 2 224.308 0.722 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000379977880 365773008 /nfs/dbraw/zinc/77/30/08/365773008.db2.gz TUWITBVJFLKRAL-MRVPVSSYSA-N 2 2 222.292 0.475 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1nccn1C ZINC000049235511 343594309 /nfs/dbraw/zinc/59/43/09/343594309.db2.gz LHFPXDSCSXGZEQ-SNVBAGLBSA-N 2 2 219.292 0.795 20 0 BCADLP CNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)C2)cc1 ZINC000042546076 187266038 /nfs/dbraw/zinc/26/60/38/187266038.db2.gz JLKWRPSWRQQUEU-CYBMUJFWSA-N 2 2 247.342 0.840 20 0 BCADLP CNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)cc1 ZINC000042546076 187266040 /nfs/dbraw/zinc/26/60/40/187266040.db2.gz JLKWRPSWRQQUEU-CYBMUJFWSA-N 2 2 247.342 0.840 20 0 BCADLP C[C@@H]([NH2+]CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000037208405 537790840 /nfs/dbraw/zinc/79/08/40/537790840.db2.gz JVNCFIQUQCZKDJ-LLVKDONJSA-N 3 2 213.369 0.868 20 0 BCADLP CC[NH2+]Cc1cn(Cc2ccc[nH+]c2N)nn1 ZINC000641165874 362248915 /nfs/dbraw/zinc/24/89/15/362248915.db2.gz KJCBQCSJIUZLQQ-UHFFFAOYSA-N 2 2 232.291 0.413 20 0 BCADLP Nc1[nH+]cccc1Cn1cc(C[NH2+]C2CC2)nn1 ZINC000641166454 362249116 /nfs/dbraw/zinc/24/91/16/362249116.db2.gz SCUMJFFGYQZVST-UHFFFAOYSA-N 2 2 244.302 0.556 20 0 BCADLP O[C@@H](C[NH2+]CC1(F)CC1)C[NH+]1CCCC1 ZINC000380000815 365791006 /nfs/dbraw/zinc/79/10/06/365791006.db2.gz MNLAAPQPWFOWTE-JTQLQIEISA-N 2 2 216.300 0.535 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCCCO1 ZINC000380063249 343675662 /nfs/dbraw/zinc/67/56/62/343675662.db2.gz OXCZUGFDKYZLAJ-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCCCO1 ZINC000380063249 343675664 /nfs/dbraw/zinc/67/56/64/343675664.db2.gz OXCZUGFDKYZLAJ-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H]1CCCCO1 ZINC000380063249 343675666 /nfs/dbraw/zinc/67/56/66/343675666.db2.gz OXCZUGFDKYZLAJ-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000380063249 343675668 /nfs/dbraw/zinc/67/56/68/343675668.db2.gz OXCZUGFDKYZLAJ-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@H+](CC(C)C)C[C@@H](O)C[NH+](C)CCOC ZINC000380121667 343681088 /nfs/dbraw/zinc/68/10/88/343681088.db2.gz BVPGSOUOQNHHQM-ZDUSSCGKSA-N 2 2 246.395 0.903 20 0 BCADLP CC[N@@H+](CC(C)C)C[C@@H](O)C[NH+](C)CCOC ZINC000380121667 343681090 /nfs/dbraw/zinc/68/10/90/343681090.db2.gz BVPGSOUOQNHHQM-ZDUSSCGKSA-N 2 2 246.395 0.903 20 0 BCADLP CC[NH+](CC(C)C)C[C@@H](O)C[N@H+](C)CCOC ZINC000380121667 343681093 /nfs/dbraw/zinc/68/10/93/343681093.db2.gz BVPGSOUOQNHHQM-ZDUSSCGKSA-N 2 2 246.395 0.903 20 0 BCADLP CC[NH+](CC(C)C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000380121667 343681095 /nfs/dbraw/zinc/68/10/95/343681095.db2.gz BVPGSOUOQNHHQM-ZDUSSCGKSA-N 2 2 246.395 0.903 20 0 BCADLP COC[C@@H]([NH3+])C(=O)Nc1cc[nH+]c(C)c1 ZINC000088004940 343688313 /nfs/dbraw/zinc/68/83/13/343688313.db2.gz SJLHRMNKJZNSPG-SECBINFHSA-N 2 2 209.249 0.302 20 0 BCADLP CC[N@H+](C)C[C@H](O)CN1CCc2[nH+]c[nH]c2C1 ZINC000625434613 343735698 /nfs/dbraw/zinc/73/56/98/343735698.db2.gz CPRPAAMNPKEVJU-JTQLQIEISA-N 2 2 238.335 0.080 20 0 BCADLP CC[N@@H+](C)C[C@H](O)CN1CCc2[nH+]c[nH]c2C1 ZINC000625434613 343735700 /nfs/dbraw/zinc/73/57/00/343735700.db2.gz CPRPAAMNPKEVJU-JTQLQIEISA-N 2 2 238.335 0.080 20 0 BCADLP C[C@@H](O)CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000309085059 346962984 /nfs/dbraw/zinc/96/29/84/346962984.db2.gz WGQLKCYCVQGEFT-CKYFFXLPSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H](O)CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000309085059 346962986 /nfs/dbraw/zinc/96/29/86/346962986.db2.gz WGQLKCYCVQGEFT-CKYFFXLPSA-N 2 2 212.337 0.830 20 0 BCADLP C[N@H+]1C[C@H]2CN(C(=O)C=Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC000493072849 529823457 /nfs/dbraw/zinc/82/34/57/529823457.db2.gz RIIRQJRKUDYONG-TZDVWIQBSA-N 2 2 246.314 0.443 20 0 BCADLP C[N@@H+]1C[C@H]2CN(C(=O)C=Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC000493072849 529823458 /nfs/dbraw/zinc/82/34/58/529823458.db2.gz RIIRQJRKUDYONG-TZDVWIQBSA-N 2 2 246.314 0.443 20 0 BCADLP COC(=O)[C@@H]1CC12CC[NH+](C[C@@H](C)[NH3+])CC2 ZINC000584113774 343759499 /nfs/dbraw/zinc/75/94/99/343759499.db2.gz HDQNPZQYTQMAIO-ZJUUUORDSA-N 2 2 226.320 0.609 20 0 BCADLP CNC(=O)[C@H](C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000492226807 529917382 /nfs/dbraw/zinc/91/73/82/529917382.db2.gz PRBMRLJKLFLUKC-JTQLQIEISA-N 2 2 246.314 0.867 20 0 BCADLP CC1CC[NH+](Cc2nc(C[NH3+])no2)CC1 ZINC000570569857 323063450 /nfs/dbraw/zinc/06/34/50/323063450.db2.gz IONQEGVHKIYTCF-UHFFFAOYSA-N 2 2 210.281 0.760 20 0 BCADLP CN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1)C1CC1 ZINC000621782532 343906127 /nfs/dbraw/zinc/90/61/27/343906127.db2.gz QDOXPOPWATVSOJ-GWCFXTLKSA-N 2 2 237.347 0.420 20 0 BCADLP CN(C(=O)C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1)C1CC1 ZINC000621782532 343906128 /nfs/dbraw/zinc/90/61/28/343906128.db2.gz QDOXPOPWATVSOJ-GWCFXTLKSA-N 2 2 237.347 0.420 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621785068 343908255 /nfs/dbraw/zinc/90/82/55/343908255.db2.gz YVCDSLDOAUVNTJ-NGZCFLSTSA-N 2 2 211.309 0.064 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621785068 343908258 /nfs/dbraw/zinc/90/82/58/343908258.db2.gz YVCDSLDOAUVNTJ-NGZCFLSTSA-N 2 2 211.309 0.064 20 0 BCADLP CC[C@@H](O)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625548324 343931464 /nfs/dbraw/zinc/93/14/64/343931464.db2.gz BZKFRSYHLAIMES-CYBMUJFWSA-N 2 2 242.363 0.554 20 0 BCADLP COCCC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625545798 343932029 /nfs/dbraw/zinc/93/20/29/343932029.db2.gz IDASUWDYAFXGSP-UHFFFAOYSA-N 2 2 242.363 0.820 20 0 BCADLP Fc1c[nH+]ccc1NCCC[NH+]1CCOCC1 ZINC000641252922 362331624 /nfs/dbraw/zinc/33/16/24/362331624.db2.gz RSTZPMZYXQQTEB-UHFFFAOYSA-N 2 2 239.294 0.777 20 0 BCADLP OCc1cc[nH+]c(NCCn2cc[nH+]c2)c1 ZINC000641279489 362342287 /nfs/dbraw/zinc/34/22/87/362342287.db2.gz TVHZSUJRDQWGBC-UHFFFAOYSA-N 2 2 218.260 0.883 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C1CC1)C1CC1 ZINC000625841575 344093161 /nfs/dbraw/zinc/09/31/61/344093161.db2.gz NTJCGFPZKAVBFS-CYBMUJFWSA-N 2 2 242.363 0.552 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C1CC1)C1CC1 ZINC000625841575 344093164 /nfs/dbraw/zinc/09/31/64/344093164.db2.gz NTJCGFPZKAVBFS-CYBMUJFWSA-N 2 2 242.363 0.552 20 0 BCADLP c1[nH+]c2n(c1C[N@@H+]1C[C@@H]3COC[C@@H]3C1)CCC2 ZINC000634744427 344165190 /nfs/dbraw/zinc/16/51/90/344165190.db2.gz YHHWNVFTJYUORF-PHIMTYICSA-N 2 2 233.315 0.908 20 0 BCADLP c1[nH+]c2n(c1C[N@H+]1C[C@@H]3COC[C@@H]3C1)CCC2 ZINC000634744427 344165191 /nfs/dbraw/zinc/16/51/91/344165191.db2.gz YHHWNVFTJYUORF-PHIMTYICSA-N 2 2 233.315 0.908 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)n1C ZINC000634744905 344166517 /nfs/dbraw/zinc/16/65/17/344166517.db2.gz OSRYBBRXXGAZLF-PHIMTYICSA-N 2 2 221.304 0.807 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC2)C[N@@H+]1C1CC1 ZINC000130312224 344220212 /nfs/dbraw/zinc/22/02/12/344220212.db2.gz UPNNWGHIUFTQFF-GMTAPVOTSA-N 2 2 210.321 0.990 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC2)C[N@H+]1C1CC1 ZINC000130312224 344220214 /nfs/dbraw/zinc/22/02/14/344220214.db2.gz UPNNWGHIUFTQFF-GMTAPVOTSA-N 2 2 210.321 0.990 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC[C@H](C)[NH3+] ZINC000622044972 344229470 /nfs/dbraw/zinc/22/94/70/344229470.db2.gz YZDLLPWKMBKROS-AXFHLTTASA-N 3 2 215.341 0.080 20 0 BCADLP C[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2F)CC1 ZINC000641339628 362369461 /nfs/dbraw/zinc/36/94/61/362369461.db2.gz AROMDCAHCBNVLP-JTQLQIEISA-N 2 2 239.294 0.724 20 0 BCADLP C[N@@H+]1CCCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000569376304 344248287 /nfs/dbraw/zinc/24/82/87/344248287.db2.gz VAHXZHRLLAXXNI-UHFFFAOYSA-N 2 2 239.363 0.492 20 0 BCADLP C[N@H+]1CCCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000569376304 344248289 /nfs/dbraw/zinc/24/82/89/344248289.db2.gz VAHXZHRLLAXXNI-UHFFFAOYSA-N 2 2 239.363 0.492 20 0 BCADLP OCC[N@@H+]1CCCN(c2cc[nH+]cc2F)CC1 ZINC000641345565 362372489 /nfs/dbraw/zinc/37/24/89/362372489.db2.gz FIIJMAWIRIVHRX-UHFFFAOYSA-N 2 2 239.294 0.725 20 0 BCADLP OCC[N@H+]1CCCN(c2cc[nH+]cc2F)CC1 ZINC000641345565 362372496 /nfs/dbraw/zinc/37/24/96/362372496.db2.gz FIIJMAWIRIVHRX-UHFFFAOYSA-N 2 2 239.294 0.725 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000625873845 344275659 /nfs/dbraw/zinc/27/56/59/344275659.db2.gz DCVMVQYCLZUEJO-SECBINFHSA-N 2 2 220.276 0.295 20 0 BCADLP COC(=O)CCCC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000600704818 344360483 /nfs/dbraw/zinc/36/04/83/344360483.db2.gz QFUXDNJALMIYGL-MNOVXSKESA-N 2 2 244.335 0.378 20 0 BCADLP COC(=O)CCCC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000600704818 344360484 /nfs/dbraw/zinc/36/04/84/344360484.db2.gz QFUXDNJALMIYGL-MNOVXSKESA-N 2 2 244.335 0.378 20 0 BCADLP COC(=O)CCCC[N@@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000600708939 344361216 /nfs/dbraw/zinc/36/12/16/344361216.db2.gz IMUCASZONMGKQL-NXEZZACHSA-N 2 2 232.299 0.701 20 0 BCADLP COC(=O)CCCC[N@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000600708939 344361218 /nfs/dbraw/zinc/36/12/18/344361218.db2.gz IMUCASZONMGKQL-NXEZZACHSA-N 2 2 232.299 0.701 20 0 BCADLP [NH3+]CC12CC(C1)CN2c1nc[nH+]c2c1OCCN2 ZINC000634811425 344396644 /nfs/dbraw/zinc/39/66/44/344396644.db2.gz FCRYQMVBWSUUKF-UHFFFAOYSA-N 2 2 247.302 0.208 20 0 BCADLP C[C@@H]1CN(c2nc[nH+]c3c2OCCN3)C[C@H]1C[NH3+] ZINC000634812112 344397706 /nfs/dbraw/zinc/39/77/06/344397706.db2.gz AGGQSEYSOZMROC-RKDXNWHRSA-N 2 2 249.318 0.312 20 0 BCADLP C[C@@H]1CN(c2[nH+]cnc3c2OCCN3)C[C@H]1C[NH3+] ZINC000634812112 344397708 /nfs/dbraw/zinc/39/77/08/344397708.db2.gz AGGQSEYSOZMROC-RKDXNWHRSA-N 2 2 249.318 0.312 20 0 BCADLP CNC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000158081723 344470317 /nfs/dbraw/zinc/47/03/17/344470317.db2.gz OHQLMLCYAZZZBI-SNVBAGLBSA-N 2 2 213.325 0.006 20 0 BCADLP CNC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000158081723 344470320 /nfs/dbraw/zinc/47/03/20/344470320.db2.gz OHQLMLCYAZZZBI-SNVBAGLBSA-N 2 2 213.325 0.006 20 0 BCADLP CNC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000158081723 344470323 /nfs/dbraw/zinc/47/03/23/344470323.db2.gz OHQLMLCYAZZZBI-SNVBAGLBSA-N 2 2 213.325 0.006 20 0 BCADLP CNC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000158081723 344470326 /nfs/dbraw/zinc/47/03/26/344470326.db2.gz OHQLMLCYAZZZBI-SNVBAGLBSA-N 2 2 213.325 0.006 20 0 BCADLP C[C@@H](Cn1cccn1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000043326969 344488687 /nfs/dbraw/zinc/48/86/87/344488687.db2.gz RIEYPQRWNYHUOH-QWRGUYRKSA-N 2 2 208.309 0.613 20 0 BCADLP C[C@](O)(C[NH2+]CCn1cc[nH+]c1)C(F)(F)F ZINC000381666464 344533166 /nfs/dbraw/zinc/53/31/66/344533166.db2.gz VPDDUASAOWMXRF-QMMMGPOBSA-N 2 2 237.225 0.786 20 0 BCADLP COC(=O)CCC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000044557035 344543353 /nfs/dbraw/zinc/54/33/53/344543353.db2.gz LENXVURPGQNSJM-JTQLQIEISA-N 2 2 214.309 0.753 20 0 BCADLP COC(=O)CCC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000044557035 344543356 /nfs/dbraw/zinc/54/33/56/344543356.db2.gz LENXVURPGQNSJM-JTQLQIEISA-N 2 2 214.309 0.753 20 0 BCADLP C[NH+](C)C[C@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000641485927 362456385 /nfs/dbraw/zinc/45/63/85/362456385.db2.gz UHCLTMVFVCRDFH-GFCCVEGCSA-N 2 2 235.331 0.962 20 0 BCADLP Fc1c[nH+]ccc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000641488556 362456433 /nfs/dbraw/zinc/45/64/33/362456433.db2.gz IVNALBVLCZGRDH-SNVBAGLBSA-N 2 2 237.278 0.742 20 0 BCADLP Fc1c[nH+]ccc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000641488556 362456439 /nfs/dbraw/zinc/45/64/39/362456439.db2.gz IVNALBVLCZGRDH-SNVBAGLBSA-N 2 2 237.278 0.742 20 0 BCADLP C[C@@H](O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000578139875 344714418 /nfs/dbraw/zinc/71/44/18/344714418.db2.gz HRVRLBSURNDOBZ-NXEZZACHSA-N 2 2 209.293 0.590 20 0 BCADLP C[C@@H](O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000578139875 344714421 /nfs/dbraw/zinc/71/44/21/344714421.db2.gz HRVRLBSURNDOBZ-NXEZZACHSA-N 2 2 209.293 0.590 20 0 BCADLP C[N@@H+]1CCN(C(=O)/C=C/C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000493414961 530065984 /nfs/dbraw/zinc/06/59/84/530065984.db2.gz FZLBYNSRAUCWOY-QRGHLMKCSA-N 2 2 239.363 0.690 20 0 BCADLP C[N@H+]1CCN(C(=O)/C=C/C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000493414961 530065985 /nfs/dbraw/zinc/06/59/85/530065985.db2.gz FZLBYNSRAUCWOY-QRGHLMKCSA-N 2 2 239.363 0.690 20 0 BCADLP C[N@@H+]1CCC[C@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492812984 530061095 /nfs/dbraw/zinc/06/10/95/530061095.db2.gz OEIHGVQKGLSAEX-DOGVGXBMSA-N 2 2 248.330 0.881 20 0 BCADLP C[N@H+]1CCC[C@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492812984 530061096 /nfs/dbraw/zinc/06/10/96/530061096.db2.gz OEIHGVQKGLSAEX-DOGVGXBMSA-N 2 2 248.330 0.881 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000400543080 530071308 /nfs/dbraw/zinc/07/13/08/530071308.db2.gz GKBUIZOZRJTQLC-QWHCGFSZSA-N 2 2 241.379 0.248 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000400543080 530071309 /nfs/dbraw/zinc/07/13/09/530071309.db2.gz GKBUIZOZRJTQLC-QWHCGFSZSA-N 2 2 241.379 0.248 20 0 BCADLP COC[C@H](C)C[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000583421819 344934243 /nfs/dbraw/zinc/93/42/43/344934243.db2.gz UKNNWAWLXIVZOG-OLZOCXBDSA-N 2 2 244.379 0.705 20 0 BCADLP COC[C@H](C)C[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000583421819 344934244 /nfs/dbraw/zinc/93/42/44/344934244.db2.gz UKNNWAWLXIVZOG-OLZOCXBDSA-N 2 2 244.379 0.705 20 0 BCADLP Cc1nn(C)cc1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000126222668 187296610 /nfs/dbraw/zinc/29/66/10/187296610.db2.gz PKLNRYPJAJHYAX-LBPRGKRZSA-N 2 2 222.336 0.912 20 0 BCADLP Cc1nn(C)cc1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000126222668 187296612 /nfs/dbraw/zinc/29/66/12/187296612.db2.gz PKLNRYPJAJHYAX-LBPRGKRZSA-N 2 2 222.336 0.912 20 0 BCADLP Cc1ncc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000628191376 344945506 /nfs/dbraw/zinc/94/55/06/344945506.db2.gz ISRVPGUSIKAXHG-NXEZZACHSA-N 2 2 207.277 0.634 20 0 BCADLP C[C@@H](O)C[C@@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993376 345189693 /nfs/dbraw/zinc/18/96/93/345189693.db2.gz SFFPEMOQDDLLHU-IGJPJIBNSA-N 2 2 224.348 0.974 20 0 BCADLP C[C@@H](O)C[C@@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993376 345189694 /nfs/dbraw/zinc/18/96/94/345189694.db2.gz SFFPEMOQDDLLHU-IGJPJIBNSA-N 2 2 224.348 0.974 20 0 BCADLP C[NH2+]CCC[N@H+](C)C[C@@H](C[NH3+])C(C)C ZINC000634996593 345189758 /nfs/dbraw/zinc/18/97/58/345189758.db2.gz OOOZNELNCCYQSR-LLVKDONJSA-N 3 2 201.358 0.759 20 0 BCADLP C[NH2+]CCC[N@@H+](C)C[C@@H](C[NH3+])C(C)C ZINC000634996593 345189761 /nfs/dbraw/zinc/18/97/61/345189761.db2.gz OOOZNELNCCYQSR-LLVKDONJSA-N 3 2 201.358 0.759 20 0 BCADLP Cn1c[nH+]c(CC[NH2+]Cc2ccon2)c1 ZINC000634984002 345167565 /nfs/dbraw/zinc/16/75/65/345167565.db2.gz DQUOUNDLUGPRRB-UHFFFAOYSA-N 2 2 206.249 0.740 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000634991734 345178224 /nfs/dbraw/zinc/17/82/24/345178224.db2.gz PVACGGNUJSXGDT-IJLUTSLNSA-N 3 2 229.368 0.265 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000634991734 345178226 /nfs/dbraw/zinc/17/82/26/345178226.db2.gz PVACGGNUJSXGDT-IJLUTSLNSA-N 3 2 229.368 0.265 20 0 BCADLP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634991766 345178666 /nfs/dbraw/zinc/17/86/66/345178666.db2.gz QUOMVDIMYSYXDN-YLXHPXFOSA-N 2 2 237.347 0.324 20 0 BCADLP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634991766 345178668 /nfs/dbraw/zinc/17/86/68/345178668.db2.gz QUOMVDIMYSYXDN-YLXHPXFOSA-N 2 2 237.347 0.324 20 0 BCADLP COCCC[N@H+](CCOC)CC12CC(C1)C[NH2+]2 ZINC000634992290 345180354 /nfs/dbraw/zinc/18/03/54/345180354.db2.gz KFKHBGSQYRLMJU-UHFFFAOYSA-N 2 2 242.363 0.723 20 0 BCADLP COCCC[N@@H+](CCOC)CC12CC(C1)C[NH2+]2 ZINC000634992290 345180357 /nfs/dbraw/zinc/18/03/57/345180357.db2.gz KFKHBGSQYRLMJU-UHFFFAOYSA-N 2 2 242.363 0.723 20 0 BCADLP NC(=O)C[C@@H]1CCCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992737 345180749 /nfs/dbraw/zinc/18/07/49/345180749.db2.gz ZBZHUONWSLMISS-AKJDGMEZSA-N 2 2 237.347 0.468 20 0 BCADLP NC(=O)C[C@@H]1CCCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992737 345180751 /nfs/dbraw/zinc/18/07/51/345180751.db2.gz ZBZHUONWSLMISS-AKJDGMEZSA-N 2 2 237.347 0.468 20 0 BCADLP COC[C@@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634992694 345181152 /nfs/dbraw/zinc/18/11/52/345181152.db2.gz XVGRPFDLMYQGMB-VOMCLLRMSA-N 2 2 210.321 0.707 20 0 BCADLP COC[C@@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634992694 345181155 /nfs/dbraw/zinc/18/11/55/345181155.db2.gz XVGRPFDLMYQGMB-VOMCLLRMSA-N 2 2 210.321 0.707 20 0 BCADLP COCC[N@H+](CC12CC(C1)C[NH2+]2)[C@@H]1CCOC1 ZINC000634994750 345182567 /nfs/dbraw/zinc/18/25/67/345182567.db2.gz LZYBXDRWCVHQKA-OTTFEQOBSA-N 2 2 240.347 0.476 20 0 BCADLP COCC[N@@H+](CC12CC(C1)C[NH2+]2)[C@@H]1CCOC1 ZINC000634994750 345182569 /nfs/dbraw/zinc/18/25/69/345182569.db2.gz LZYBXDRWCVHQKA-OTTFEQOBSA-N 2 2 240.347 0.476 20 0 BCADLP CC(C)[C@@H]([NH3+])C[NH2+]C[C@@H](C[NH3+])C(C)C ZINC000634995131 345183315 /nfs/dbraw/zinc/18/33/15/345183315.db2.gz VWPAKBCBMJNOQP-MNOVXSKESA-N 3 2 201.358 0.790 20 0 BCADLP CNC(=O)[C@@]1(C)CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634995171 345183529 /nfs/dbraw/zinc/18/35/29/345183529.db2.gz XLBKSFPPNYHFFJ-YDGIUTOCSA-N 2 2 237.347 0.196 20 0 BCADLP CNC(=O)[C@@]1(C)CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634995171 345183532 /nfs/dbraw/zinc/18/35/32/345183532.db2.gz XLBKSFPPNYHFFJ-YDGIUTOCSA-N 2 2 237.347 0.196 20 0 BCADLP CC(C)[C@H](C[NH3+])C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000634995130 345183581 /nfs/dbraw/zinc/18/35/81/345183581.db2.gz VWPAKBCBMJNOQP-GHMZBOCLSA-N 3 2 201.358 0.790 20 0 BCADLP O=C1C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)CN1C1CC1 ZINC000634996861 345184239 /nfs/dbraw/zinc/18/42/39/345184239.db2.gz XISXEHMZEOWACY-QUNCOHTASA-N 2 2 235.331 0.091 20 0 BCADLP COC[C@@]1(C[NH2+]C[C@H](C[NH3+])C(C)C)CCC[NH2+]1 ZINC000634995723 345185140 /nfs/dbraw/zinc/18/51/40/345185140.db2.gz NBTPBFNRNCDZEN-STQMWFEESA-N 3 2 243.395 0.576 20 0 BCADLP CC(C)N1CC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1=O ZINC000634995785 345185766 /nfs/dbraw/zinc/18/57/66/345185766.db2.gz OWAJEYWOLPXQRH-AKJDGMEZSA-N 2 2 237.347 0.337 20 0 BCADLP CC[NH2+][C@H](C)C[NH2+]C[C@@H](C[NH3+])C(C)C ZINC000634996012 345186011 /nfs/dbraw/zinc/18/60/11/345186011.db2.gz WKYONUNSUALJPL-GHMZBOCLSA-N 3 2 201.358 0.805 20 0 BCADLP C[NH+](C)CCC[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634949164 345126083 /nfs/dbraw/zinc/12/60/83/345126083.db2.gz JCSKFTANALCPQX-LLVKDONJSA-N 2 2 248.392 0.495 20 0 BCADLP C[C@@H]([NH3+])C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000157222930 345249465 /nfs/dbraw/zinc/24/94/65/345249465.db2.gz FJTGUDIZNOIUFW-SNVBAGLBSA-N 2 2 244.298 0.836 20 0 BCADLP CC[C@@]1(CO)CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993946 345192687 /nfs/dbraw/zinc/19/26/87/345192687.db2.gz LKGPHHOZKUWDSA-BPCQOVAHSA-N 2 2 224.348 0.975 20 0 BCADLP CC[C@@]1(CO)CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993946 345192688 /nfs/dbraw/zinc/19/26/88/345192688.db2.gz LKGPHHOZKUWDSA-BPCQOVAHSA-N 2 2 224.348 0.975 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000634994333 345193463 /nfs/dbraw/zinc/19/34/63/345193463.db2.gz ZLCIBMJFNQRSMX-XQQFMLRXSA-N 3 2 225.380 0.901 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000634994333 345193466 /nfs/dbraw/zinc/19/34/66/345193466.db2.gz ZLCIBMJFNQRSMX-XQQFMLRXSA-N 3 2 225.380 0.901 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@H](C[NH3+])C(C)C ZINC000634997831 345196548 /nfs/dbraw/zinc/19/65/48/345196548.db2.gz UJPOJGPSIZYVBT-SDDRHHMPSA-N 3 2 213.369 0.947 20 0 BCADLP CCn1ccnc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999637 345200548 /nfs/dbraw/zinc/20/05/48/345200548.db2.gz XDTJANJRDZSARJ-WDEREUQCSA-N 2 2 222.336 0.930 20 0 BCADLP CCn1ccnc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999637 345200551 /nfs/dbraw/zinc/20/05/51/345200551.db2.gz XDTJANJRDZSARJ-WDEREUQCSA-N 2 2 222.336 0.930 20 0 BCADLP CCC[C@H](CCO)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000635003104 345205326 /nfs/dbraw/zinc/20/53/26/345205326.db2.gz FYYVAVJZWHSSMB-YNEHKIRRSA-N 2 2 244.379 0.894 20 0 BCADLP CC(C)(C)[C@H]([NH3+])C(=O)NCCc1[nH]cc[nH+]1 ZINC000158546807 345344107 /nfs/dbraw/zinc/34/41/07/345344107.db2.gz RDIFIIXUJNQBDZ-SECBINFHSA-N 2 2 224.308 0.442 20 0 BCADLP C[C@@]1(C(=O)NCCc2[nH]cc[nH+]2)CC[NH2+]C1 ZINC000158544563 345347128 /nfs/dbraw/zinc/34/71/28/345347128.db2.gz UYYJAHKCOZAKER-LLVKDONJSA-N 2 2 222.292 0.068 20 0 BCADLP C[C@H](C(=O)N1CC[NH+](C2CC2)CC1)[NH+](C)C ZINC000635439427 345368620 /nfs/dbraw/zinc/36/86/20/345368620.db2.gz XFJYWJBZOMLFNM-SNVBAGLBSA-N 2 2 225.336 0.243 20 0 BCADLP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635506371 345405350 /nfs/dbraw/zinc/40/53/50/345405350.db2.gz BPTZWZPILAHODA-GMTAPVOTSA-N 2 2 248.330 0.724 20 0 BCADLP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635506371 345405355 /nfs/dbraw/zinc/40/53/55/345405355.db2.gz BPTZWZPILAHODA-GMTAPVOTSA-N 2 2 248.330 0.724 20 0 BCADLP C[NH2+]CC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000082276241 345500747 /nfs/dbraw/zinc/50/07/47/345500747.db2.gz REONZQLPBMTDPY-SECBINFHSA-N 2 2 222.292 0.683 20 0 BCADLP COC[C@H](O)C[NH2+]CCc1cc[nH+]cc1C ZINC000397520103 345565224 /nfs/dbraw/zinc/56/52/24/345565224.db2.gz CRYWJEJNGNTGLO-GFCCVEGCSA-N 2 2 224.304 0.529 20 0 BCADLP CCOC[C@@H](O)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000068951864 349932467 /nfs/dbraw/zinc/93/24/67/349932467.db2.gz YZULZPUCWQUODG-MNOVXSKESA-N 2 2 227.308 0.259 20 0 BCADLP O[C@@H]1CC[C@H]2CC[N@H+](CCn3cc[nH+]c3)[C@@H]12 ZINC000626139281 345637765 /nfs/dbraw/zinc/63/77/65/345637765.db2.gz DDWTXHJOSGNVET-QJPTWQEYSA-N 2 2 221.304 0.728 20 0 BCADLP O[C@@H]1CC[C@H]2CC[N@@H+](CCn3cc[nH+]c3)[C@@H]12 ZINC000626139281 345637768 /nfs/dbraw/zinc/63/77/68/345637768.db2.gz DDWTXHJOSGNVET-QJPTWQEYSA-N 2 2 221.304 0.728 20 0 BCADLP CC[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000115365361 345676225 /nfs/dbraw/zinc/67/62/25/345676225.db2.gz UKNOZHIPUUUZED-UHFFFAOYSA-N 2 2 225.336 0.245 20 0 BCADLP CC[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000115365361 345676228 /nfs/dbraw/zinc/67/62/28/345676228.db2.gz UKNOZHIPUUUZED-UHFFFAOYSA-N 2 2 225.336 0.245 20 0 BCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccccc1 ZINC000221396264 345747307 /nfs/dbraw/zinc/74/73/07/345747307.db2.gz XILLLACFFMMNNM-ZDUSSCGKSA-N 2 2 219.332 0.680 20 0 BCADLP CC(C)[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC000145849459 345711761 /nfs/dbraw/zinc/71/17/61/345711761.db2.gz XNEHENVSGGDBQM-UHFFFAOYSA-N 2 2 241.379 0.345 20 0 BCADLP CN(C)c1nc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000200064850 345728274 /nfs/dbraw/zinc/72/82/74/345728274.db2.gz GIVIYYHQIJJQHL-UHFFFAOYSA-N 2 2 221.308 0.294 20 0 BCADLP C[N@@H+]1CC[C@@H](CC(=O)NCc2c[nH+]c[nH]2)C1 ZINC000635589899 345884105 /nfs/dbraw/zinc/88/41/05/345884105.db2.gz RPCYFIWCDUIKDK-VIFPVBQESA-N 2 2 222.292 0.368 20 0 BCADLP C[N@H+]1CC[C@@H](CC(=O)NCc2c[nH+]c[nH]2)C1 ZINC000635589899 345884107 /nfs/dbraw/zinc/88/41/07/345884107.db2.gz RPCYFIWCDUIKDK-VIFPVBQESA-N 2 2 222.292 0.368 20 0 BCADLP C[N@@H+]1CC[C@@H](CC(=O)NCc2c[nH]c[nH+]2)C1 ZINC000635589899 345884108 /nfs/dbraw/zinc/88/41/08/345884108.db2.gz RPCYFIWCDUIKDK-VIFPVBQESA-N 2 2 222.292 0.368 20 0 BCADLP C[N@H+]1CC[C@@H](CC(=O)NCc2c[nH]c[nH+]2)C1 ZINC000635589899 345884110 /nfs/dbraw/zinc/88/41/10/345884110.db2.gz RPCYFIWCDUIKDK-VIFPVBQESA-N 2 2 222.292 0.368 20 0 BCADLP CCOCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115739330 187311724 /nfs/dbraw/zinc/31/17/24/187311724.db2.gz CCOLMWKFQMWINO-UHFFFAOYSA-N 2 2 244.379 0.802 20 0 BCADLP CCOCC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115739330 187311726 /nfs/dbraw/zinc/31/17/26/187311726.db2.gz CCOLMWKFQMWINO-UHFFFAOYSA-N 2 2 244.379 0.802 20 0 BCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000094341637 187360884 /nfs/dbraw/zinc/36/08/84/187360884.db2.gz VXVARSVZGKEONN-SRVKXCTJSA-N 2 2 241.379 0.816 20 0 BCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000094341637 187360886 /nfs/dbraw/zinc/36/08/86/187360886.db2.gz VXVARSVZGKEONN-SRVKXCTJSA-N 2 2 241.379 0.816 20 0 BCADLP CC(C)(CC(N)=O)[NH2+]CCCn1cc[nH+]c1 ZINC000186231893 187311828 /nfs/dbraw/zinc/31/18/28/187311828.db2.gz UDSHEFBSTIURMB-UHFFFAOYSA-N 2 2 224.308 0.517 20 0 BCADLP C[N@@H+]1CC[C@H](CC(=O)N2CCc3[nH]c[nH+]c3C2)C1 ZINC000635945057 346118680 /nfs/dbraw/zinc/11/86/80/346118680.db2.gz YZZHPTYDNDUDHN-SNVBAGLBSA-N 2 2 248.330 0.636 20 0 BCADLP C[N@H+]1CC[C@H](CC(=O)N2CCc3[nH]c[nH+]c3C2)C1 ZINC000635945057 346118682 /nfs/dbraw/zinc/11/86/82/346118682.db2.gz YZZHPTYDNDUDHN-SNVBAGLBSA-N 2 2 248.330 0.636 20 0 BCADLP C[N@@H+]1CC[C@H](CC(=O)N2CCc3[nH+]c[nH]c3C2)C1 ZINC000635945057 346118683 /nfs/dbraw/zinc/11/86/83/346118683.db2.gz YZZHPTYDNDUDHN-SNVBAGLBSA-N 2 2 248.330 0.636 20 0 BCADLP C[N@H+]1CC[C@H](CC(=O)N2CCc3[nH+]c[nH]c3C2)C1 ZINC000635945057 346118686 /nfs/dbraw/zinc/11/86/86/346118686.db2.gz YZZHPTYDNDUDHN-SNVBAGLBSA-N 2 2 248.330 0.636 20 0 BCADLP CC[N@H+](Cc1cnn(C)c1)C[C@@](C)(O)C[NH2+]C ZINC000563271161 323107187 /nfs/dbraw/zinc/10/71/87/323107187.db2.gz MRNZUCVWSLBZCO-LBPRGKRZSA-N 2 2 240.351 0.212 20 0 BCADLP CC[N@@H+](Cc1cnn(C)c1)C[C@@](C)(O)C[NH2+]C ZINC000563271161 323107188 /nfs/dbraw/zinc/10/71/88/323107188.db2.gz MRNZUCVWSLBZCO-LBPRGKRZSA-N 2 2 240.351 0.212 20 0 BCADLP C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000636033643 346169288 /nfs/dbraw/zinc/16/92/88/346169288.db2.gz COAZYGLPCGMAHY-NXEZZACHSA-N 2 2 248.330 0.724 20 0 BCADLP C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000636033643 346169292 /nfs/dbraw/zinc/16/92/92/346169292.db2.gz COAZYGLPCGMAHY-NXEZZACHSA-N 2 2 248.330 0.724 20 0 BCADLP C[C@H](C(=O)NCCc1cn(C)c[nH+]1)[NH+](C)C ZINC000636016342 346156714 /nfs/dbraw/zinc/15/67/14/346156714.db2.gz UJCAPSVQOSFUAK-SECBINFHSA-N 2 2 224.308 0.029 20 0 BCADLP C[NH+](C)C1CC[NH+](CCn2ccccc2=O)CC1 ZINC000586843464 346161153 /nfs/dbraw/zinc/16/11/53/346161153.db2.gz FWIWKKAVZSANFB-UHFFFAOYSA-N 2 2 249.358 0.874 20 0 BCADLP COC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000641788094 362724934 /nfs/dbraw/zinc/72/49/34/362724934.db2.gz JABBAUFITPANOZ-AAEUAGOBSA-N 2 2 242.363 0.864 20 0 BCADLP C[C@H]1C[N@H+](CCc2c[nH+]cn2C)CC[C@@H]1[NH3+] ZINC000641795865 362736776 /nfs/dbraw/zinc/73/67/76/362736776.db2.gz APDPFBASMYPSBI-JQWIXIFHSA-N 3 2 222.336 0.632 20 0 BCADLP C[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CC[C@@H]1[NH3+] ZINC000641795865 362736777 /nfs/dbraw/zinc/73/67/77/362736777.db2.gz APDPFBASMYPSBI-JQWIXIFHSA-N 3 2 222.336 0.632 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)CC(C)(C)C[NH3+] ZINC000641795879 362736829 /nfs/dbraw/zinc/73/68/29/362736829.db2.gz ASDSMUCNUPZJPJ-UHFFFAOYSA-N 3 2 224.352 0.879 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000641795879 362736831 /nfs/dbraw/zinc/73/68/31/362736831.db2.gz ASDSMUCNUPZJPJ-UHFFFAOYSA-N 3 2 224.352 0.879 20 0 BCADLP Cn1cncc1CC[N@H+](C)CC(C)(C)C[NH3+] ZINC000641795879 362736835 /nfs/dbraw/zinc/73/68/35/362736835.db2.gz ASDSMUCNUPZJPJ-UHFFFAOYSA-N 2 2 224.352 0.879 20 0 BCADLP Cn1cncc1CC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000641795879 362736837 /nfs/dbraw/zinc/73/68/37/362736837.db2.gz ASDSMUCNUPZJPJ-UHFFFAOYSA-N 2 2 224.352 0.879 20 0 BCADLP C[C@@H]([NH3+])CCC(=O)N(C)Cc1[nH+]ccn1C ZINC000069839560 349962088 /nfs/dbraw/zinc/96/20/88/349962088.db2.gz JPDXJXANWZVNLY-SECBINFHSA-N 2 2 224.308 0.506 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000641797770 362745454 /nfs/dbraw/zinc/74/54/54/362745454.db2.gz GHNPVKLTOVFXDL-CYBMUJFWSA-N 3 2 234.347 0.648 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000641797770 362745460 /nfs/dbraw/zinc/74/54/60/362745460.db2.gz GHNPVKLTOVFXDL-CYBMUJFWSA-N 3 2 234.347 0.648 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000641799213 362746796 /nfs/dbraw/zinc/74/67/96/362746796.db2.gz OIKRABUMOOEKPC-LBPRGKRZSA-N 2 2 222.336 0.633 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000641799502 362747904 /nfs/dbraw/zinc/74/79/04/362747904.db2.gz QBWQOFOYNNVLOU-YPMHNXCESA-N 3 2 234.347 0.646 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000641799502 362747909 /nfs/dbraw/zinc/74/79/09/362747909.db2.gz QBWQOFOYNNVLOU-YPMHNXCESA-N 3 2 234.347 0.646 20 0 BCADLP Cn1c[nH+]cc1CC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000641799721 362749016 /nfs/dbraw/zinc/74/90/16/362749016.db2.gz QBFVZKMBBGYYIC-LLVKDONJSA-N 3 2 224.352 0.926 20 0 BCADLP Cn1cncc1CC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000641799721 362749021 /nfs/dbraw/zinc/74/90/21/362749021.db2.gz QBFVZKMBBGYYIC-LLVKDONJSA-N 2 2 224.352 0.926 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CC2(CC(N)=O)CC2)n1C ZINC000563442285 323126777 /nfs/dbraw/zinc/12/67/77/323126777.db2.gz ZVTMRTJGQQRYPQ-UHFFFAOYSA-N 2 2 236.319 0.474 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[NH2+]CC1 ZINC000641796664 362739803 /nfs/dbraw/zinc/73/98/03/362739803.db2.gz GSEPWBAMSRUXDQ-UHFFFAOYSA-N 3 2 208.309 0.258 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[NH2+]CC1 ZINC000641796664 362739807 /nfs/dbraw/zinc/73/98/07/362739807.db2.gz GSEPWBAMSRUXDQ-UHFFFAOYSA-N 3 2 208.309 0.258 20 0 BCADLP Cn1c[nH+]cc1CC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000641802173 362758767 /nfs/dbraw/zinc/75/87/67/362758767.db2.gz YRMOQGAKEYRPAQ-YPMHNXCESA-N 3 2 234.347 0.694 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C(C)(C)C1 ZINC000387825329 347100650 /nfs/dbraw/zinc/10/06/50/347100650.db2.gz XECBUIHELZQWFB-WDEREUQCSA-N 2 2 230.352 0.002 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C(C)(C)C1 ZINC000387825329 347100651 /nfs/dbraw/zinc/10/06/51/347100651.db2.gz XECBUIHELZQWFB-WDEREUQCSA-N 2 2 230.352 0.002 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000387825329 347100652 /nfs/dbraw/zinc/10/06/52/347100652.db2.gz XECBUIHELZQWFB-WDEREUQCSA-N 2 2 230.352 0.002 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000387825329 347100653 /nfs/dbraw/zinc/10/06/53/347100653.db2.gz XECBUIHELZQWFB-WDEREUQCSA-N 2 2 230.352 0.002 20 0 BCADLP COC[C@@H](C)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000187746361 346605742 /nfs/dbraw/zinc/60/57/42/346605742.db2.gz WATLLXXYBHAMSN-QWRGUYRKSA-N 2 2 200.326 0.953 20 0 BCADLP COC[C@@H](C)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000187746361 346605747 /nfs/dbraw/zinc/60/57/47/346605747.db2.gz WATLLXXYBHAMSN-QWRGUYRKSA-N 2 2 200.326 0.953 20 0 BCADLP CSCC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000166123744 346666409 /nfs/dbraw/zinc/66/64/09/346666409.db2.gz MFGDCQFXNVLWGI-UWVGGRQHSA-N 2 2 218.366 0.706 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)CC[C@@H](C)[NH3+] ZINC000380201254 346670659 /nfs/dbraw/zinc/67/06/59/346670659.db2.gz CTLOFMZKLNDLMU-SSDOTTSWSA-N 2 2 210.281 0.462 20 0 BCADLP COC[C@H](C)C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000188016206 346691494 /nfs/dbraw/zinc/69/14/94/346691494.db2.gz BRMLQJCJIKTVHP-QWHCGFSZSA-N 2 2 244.379 0.827 20 0 BCADLP C[NH2+]CCCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000577187819 365868435 /nfs/dbraw/zinc/86/84/35/365868435.db2.gz ULZNRAUQXYHZNE-LLVKDONJSA-N 2 2 238.335 0.902 20 0 BCADLP C[NH2+]CCOCC[N@H+](C)CCc1c[nH+]cn1C ZINC000641819953 362771252 /nfs/dbraw/zinc/77/12/52/362771252.db2.gz JJHGJUNTHSBSEA-UHFFFAOYSA-N 3 2 240.351 0.130 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)CCc1c[nH+]cn1C ZINC000641819953 362771255 /nfs/dbraw/zinc/77/12/55/362771255.db2.gz JJHGJUNTHSBSEA-UHFFFAOYSA-N 3 2 240.351 0.130 20 0 BCADLP CC[NH+]1CCN(C[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000364005840 347231902 /nfs/dbraw/zinc/23/19/02/347231902.db2.gz BNONRJCGVMEWSS-CYBMUJFWSA-N 2 2 241.379 0.345 20 0 BCADLP CC[NH+]1CCN(C[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000364005840 347231904 /nfs/dbraw/zinc/23/19/04/347231904.db2.gz BNONRJCGVMEWSS-CYBMUJFWSA-N 2 2 241.379 0.345 20 0 BCADLP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000019517796 347339161 /nfs/dbraw/zinc/33/91/61/347339161.db2.gz TXSSREUYWMYLSP-LBPRGKRZSA-N 3 2 213.369 0.999 20 0 BCADLP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000019517796 347339165 /nfs/dbraw/zinc/33/91/65/347339165.db2.gz TXSSREUYWMYLSP-LBPRGKRZSA-N 3 2 213.369 0.999 20 0 BCADLP CC[N@H+](CC[C@@H]1CCC[NH+]1C)CC(N)=O ZINC000191725573 347359098 /nfs/dbraw/zinc/35/90/98/347359098.db2.gz MEQGMJWABODJIL-JTQLQIEISA-N 2 2 213.325 0.278 20 0 BCADLP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)CC(N)=O ZINC000191725573 347359099 /nfs/dbraw/zinc/35/90/99/347359099.db2.gz MEQGMJWABODJIL-JTQLQIEISA-N 2 2 213.325 0.278 20 0 BCADLP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)CC(N)=O ZINC000191725573 347359101 /nfs/dbraw/zinc/35/91/01/347359101.db2.gz MEQGMJWABODJIL-JTQLQIEISA-N 2 2 213.325 0.278 20 0 BCADLP CC[NH+](CC[C@@H]1CCC[N@H+]1C)CC(N)=O ZINC000191725573 347359102 /nfs/dbraw/zinc/35/91/02/347359102.db2.gz MEQGMJWABODJIL-JTQLQIEISA-N 2 2 213.325 0.278 20 0 BCADLP CCOCC[N@@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000252766620 347416429 /nfs/dbraw/zinc/41/64/29/347416429.db2.gz HLWYNHSCDWBJQZ-QWRGUYRKSA-N 2 2 216.325 0.461 20 0 BCADLP CCOCC[N@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000252766620 347416431 /nfs/dbraw/zinc/41/64/31/347416431.db2.gz HLWYNHSCDWBJQZ-QWRGUYRKSA-N 2 2 216.325 0.461 20 0 BCADLP O=C1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)CCN1 ZINC000396668043 362827727 /nfs/dbraw/zinc/82/77/27/362827727.db2.gz QKBPFWRYEZKCPP-QWRGUYRKSA-N 2 2 237.347 0.481 20 0 BCADLP O=C1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)CCN1 ZINC000396668043 362827729 /nfs/dbraw/zinc/82/77/29/362827729.db2.gz QKBPFWRYEZKCPP-QWRGUYRKSA-N 2 2 237.347 0.481 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](C[C@H]2CC[C@@H](C)O2)CCO1 ZINC000149791833 347520981 /nfs/dbraw/zinc/52/09/81/347520981.db2.gz JHLAFOLPQOEGKA-KKOKHZNYSA-N 2 2 228.336 0.602 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](C[C@H]2CC[C@@H](C)O2)CCO1 ZINC000149791833 347520984 /nfs/dbraw/zinc/52/09/84/347520984.db2.gz JHLAFOLPQOEGKA-KKOKHZNYSA-N 2 2 228.336 0.602 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083072 347615873 /nfs/dbraw/zinc/61/58/73/347615873.db2.gz NQCIDJZWDBQTNR-ZJUUUORDSA-N 2 2 222.292 0.394 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083072 347615875 /nfs/dbraw/zinc/61/58/75/347615875.db2.gz NQCIDJZWDBQTNR-ZJUUUORDSA-N 2 2 222.292 0.394 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083066 347616108 /nfs/dbraw/zinc/61/61/08/347616108.db2.gz NQCIDJZWDBQTNR-NXEZZACHSA-N 2 2 222.292 0.394 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083066 347616111 /nfs/dbraw/zinc/61/61/11/347616111.db2.gz NQCIDJZWDBQTNR-NXEZZACHSA-N 2 2 222.292 0.394 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591869407 347704437 /nfs/dbraw/zinc/70/44/37/347704437.db2.gz UIXXOSJEEHGZSZ-MNOVXSKESA-N 2 2 236.319 0.784 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591869407 347704439 /nfs/dbraw/zinc/70/44/39/347704439.db2.gz UIXXOSJEEHGZSZ-MNOVXSKESA-N 2 2 236.319 0.784 20 0 BCADLP CSCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000591567798 347670713 /nfs/dbraw/zinc/67/07/13/347670713.db2.gz KHMHUHNLHXAPRS-GHMZBOCLSA-N 2 2 230.377 0.706 20 0 BCADLP C[NH2+]Cc1noc(-c2coc(C[NH3+])c2)n1 ZINC000577279940 365914473 /nfs/dbraw/zinc/91/44/73/365914473.db2.gz SUSNXRQYKFRNSS-UHFFFAOYSA-N 2 2 208.221 0.508 20 0 BCADLP C[C@H]([NH2+]C1CC1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000383158958 347850068 /nfs/dbraw/zinc/85/00/68/347850068.db2.gz NKRUQLPACWWFHT-JTQLQIEISA-N 2 2 237.347 0.434 20 0 BCADLP C[NH2+][C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000577382468 365941045 /nfs/dbraw/zinc/94/10/45/365941045.db2.gz KFWKVOLDNXSHMK-WDEREUQCSA-N 2 2 236.319 0.655 20 0 BCADLP C[C@@H](C[S@](C)=O)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000594943139 348144342 /nfs/dbraw/zinc/14/43/42/348144342.db2.gz NOWQGMXZLXKHTC-FVMDXXJSSA-N 2 2 241.360 0.686 20 0 BCADLP C[C@H](C[S@](C)=O)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000594943136 348144427 /nfs/dbraw/zinc/14/44/27/348144427.db2.gz NOWQGMXZLXKHTC-ABKXIKBNSA-N 2 2 241.360 0.686 20 0 BCADLP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000594952911 348147848 /nfs/dbraw/zinc/14/78/48/348147848.db2.gz FCDZGZYALQHWPS-XWLWVQCSSA-N 2 2 228.336 0.724 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000594918196 348153346 /nfs/dbraw/zinc/15/33/46/348153346.db2.gz PMRGTNSACZUVBQ-IRCOFANPSA-N 2 2 240.347 0.868 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000594918196 348153348 /nfs/dbraw/zinc/15/33/48/348153348.db2.gz PMRGTNSACZUVBQ-IRCOFANPSA-N 2 2 240.347 0.868 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000594918197 348153513 /nfs/dbraw/zinc/15/35/13/348153513.db2.gz PMRGTNSACZUVBQ-NNYUYHANSA-N 2 2 240.347 0.868 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000594918197 348153517 /nfs/dbraw/zinc/15/35/17/348153517.db2.gz PMRGTNSACZUVBQ-NNYUYHANSA-N 2 2 240.347 0.868 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000594919630 348154040 /nfs/dbraw/zinc/15/40/40/348154040.db2.gz IBEMUHQPKWFHIF-LMLFDSFASA-N 2 2 228.336 0.724 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000594920207 348154703 /nfs/dbraw/zinc/15/47/03/348154703.db2.gz SSLRSMFNDBJDRN-QJPTWQEYSA-N 2 2 240.347 0.869 20 0 BCADLP CCc1nn(C)cc1C[NH2+]CC(C)(C)[NH3+] ZINC000389607938 490139155 /nfs/dbraw/zinc/13/91/55/490139155.db2.gz ZJJDYNVYOBRHQO-UHFFFAOYSA-N 2 2 210.325 0.809 20 0 BCADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000595659306 348298856 /nfs/dbraw/zinc/29/88/56/348298856.db2.gz LVGGWYJLSBHIIF-OUAUKWLOSA-N 2 2 242.319 0.001 20 0 BCADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000595659306 348298859 /nfs/dbraw/zinc/29/88/59/348298859.db2.gz LVGGWYJLSBHIIF-OUAUKWLOSA-N 2 2 242.319 0.001 20 0 BCADLP COC(=O)[C@@](C)(CCF)[NH2+]CCn1cc[nH+]c1 ZINC000595774313 348338135 /nfs/dbraw/zinc/33/81/35/348338135.db2.gz HLARXJXOWCUUEM-LLVKDONJSA-N 2 2 243.282 0.764 20 0 BCADLP Cc1[nH+]ccn1CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493771844 259402368 /nfs/dbraw/zinc/40/23/68/259402368.db2.gz ODKNTVVGFLVZFG-IHWYPQMZSA-N 2 2 245.286 0.744 20 0 BCADLP CCOC(=O)C12CC(C1)C[N@@H+]2CCn1cc[nH+]c1 ZINC000595869638 348385623 /nfs/dbraw/zinc/38/56/23/348385623.db2.gz DAQGMSJRZHQQKK-UHFFFAOYSA-N 2 2 249.314 0.911 20 0 BCADLP CCOC(=O)C12CC(C1)C[N@H+]2CCn1cc[nH+]c1 ZINC000595869638 348385624 /nfs/dbraw/zinc/38/56/24/348385624.db2.gz DAQGMSJRZHQQKK-UHFFFAOYSA-N 2 2 249.314 0.911 20 0 BCADLP C[C@H](CF)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000419701878 192144426 /nfs/dbraw/zinc/14/44/26/192144426.db2.gz BISZJMZLWRCDSK-MRVPVSSYSA-N 2 2 214.288 0.934 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2C[C@@](C)(O)C2)n1C ZINC000419827907 192146662 /nfs/dbraw/zinc/14/66/62/192146662.db2.gz FXAWXTCRFOTFTD-WVSHTKLVSA-N 2 2 238.335 0.489 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000251841637 349192206 /nfs/dbraw/zinc/19/22/06/349192206.db2.gz LMMMNFOYMLJAEN-AXFHLTTASA-N 2 2 227.352 0.713 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000251841637 349192211 /nfs/dbraw/zinc/19/22/11/349192211.db2.gz LMMMNFOYMLJAEN-AXFHLTTASA-N 2 2 227.352 0.713 20 0 BCADLP CCC(CC)C[N@@H+]1CCN(C)C[C@H]1C[NH3+] ZINC000250398946 349170228 /nfs/dbraw/zinc/17/02/28/349170228.db2.gz KRHBGAVSNBQSKH-GFCCVEGCSA-N 2 2 213.369 0.997 20 0 BCADLP CCC(CC)C[N@H+]1CCN(C)C[C@H]1C[NH3+] ZINC000250398946 349170231 /nfs/dbraw/zinc/17/02/31/349170231.db2.gz KRHBGAVSNBQSKH-GFCCVEGCSA-N 2 2 213.369 0.997 20 0 BCADLP CCC(CC)CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000250398946 349170234 /nfs/dbraw/zinc/17/02/34/349170234.db2.gz KRHBGAVSNBQSKH-GFCCVEGCSA-N 2 2 213.369 0.997 20 0 BCADLP CCC(CC)CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000250398946 349170235 /nfs/dbraw/zinc/17/02/35/349170235.db2.gz KRHBGAVSNBQSKH-GFCCVEGCSA-N 2 2 213.369 0.997 20 0 BCADLP Cn1cnnc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252866256 349219966 /nfs/dbraw/zinc/21/99/66/349219966.db2.gz QFXOAJRORSZRKZ-GARJFASQSA-N 2 2 235.335 0.374 20 0 BCADLP Cn1cnnc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252866256 349219969 /nfs/dbraw/zinc/21/99/69/349219969.db2.gz QFXOAJRORSZRKZ-GARJFASQSA-N 2 2 235.335 0.374 20 0 BCADLP Cc1n[nH]cc1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000235810654 538037883 /nfs/dbraw/zinc/03/78/83/538037883.db2.gz PHOAWZQLSDIOSS-LLVKDONJSA-N 2 2 208.309 0.950 20 0 BCADLP Cn1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000123992722 490248991 /nfs/dbraw/zinc/24/89/91/490248991.db2.gz BYGIMWJTPYZZOF-UWVGGRQHSA-N 2 2 206.293 0.071 20 0 BCADLP Cc1c[nH]c(CN2CC[N@@H+](CCO)C[C@@H]2C)[nH+]1 ZINC000628304480 349282246 /nfs/dbraw/zinc/28/22/46/349282246.db2.gz ZGQRBABFKPBIAJ-NSHDSACASA-N 2 2 238.335 0.217 20 0 BCADLP Cc1c[nH]c(CN2CC[N@H+](CCO)C[C@@H]2C)[nH+]1 ZINC000628304480 349282248 /nfs/dbraw/zinc/28/22/48/349282248.db2.gz ZGQRBABFKPBIAJ-NSHDSACASA-N 2 2 238.335 0.217 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+](CCO)CC(F)F ZINC000313867244 350165662 /nfs/dbraw/zinc/16/56/62/350165662.db2.gz KSMVXOVBNDVVNH-UHFFFAOYSA-N 2 2 247.289 0.912 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+](CCO)CC(F)F ZINC000313867244 350165666 /nfs/dbraw/zinc/16/56/66/350165666.db2.gz KSMVXOVBNDVVNH-UHFFFAOYSA-N 2 2 247.289 0.912 20 0 BCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C[NH3+] ZINC000040828668 180104355 /nfs/dbraw/zinc/10/43/55/180104355.db2.gz VGOMPCQZKXEDLX-UHFFFAOYSA-N 2 2 232.287 0.420 20 0 BCADLP Cc1[nH]c(C(=O)NCC2CC[NH+](C)CC2)c[nH+]1 ZINC000336383041 180130614 /nfs/dbraw/zinc/13/06/14/180130614.db2.gz OUHIRVIMYNMMJA-UHFFFAOYSA-N 2 2 236.319 0.790 20 0 BCADLP Cc1cnc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000427119902 191053661 /nfs/dbraw/zinc/05/36/61/191053661.db2.gz NUNWTWNMHCZLNC-DGCLKSJQSA-N 2 2 232.331 0.969 20 0 BCADLP Cc1cnc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000427119902 191053664 /nfs/dbraw/zinc/05/36/64/191053664.db2.gz NUNWTWNMHCZLNC-DGCLKSJQSA-N 2 2 232.331 0.969 20 0 BCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC(F)(F)C[NH3+] ZINC000427167181 191055086 /nfs/dbraw/zinc/05/50/86/191055086.db2.gz MBFDUBCIORFPKI-DTORHVGOSA-N 2 2 249.305 0.569 20 0 BCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC(F)(F)C[NH3+] ZINC000427167181 191055089 /nfs/dbraw/zinc/05/50/89/191055089.db2.gz MBFDUBCIORFPKI-DTORHVGOSA-N 2 2 249.305 0.569 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000335661453 180119869 /nfs/dbraw/zinc/11/98/69/180119869.db2.gz DXJXCEWYRRJPSK-PSASIEDQSA-N 2 2 236.319 0.722 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000362856255 180120638 /nfs/dbraw/zinc/12/06/38/180120638.db2.gz QOADADJVNLYKCE-WPRPVWTQSA-N 2 2 236.319 0.532 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000362856255 180120639 /nfs/dbraw/zinc/12/06/39/180120639.db2.gz QOADADJVNLYKCE-WPRPVWTQSA-N 2 2 236.319 0.532 20 0 BCADLP Cc1[nH]c(C(=O)NC2(C)CC[NH2+]CC2)c[nH+]1 ZINC000335644235 180128352 /nfs/dbraw/zinc/12/83/52/180128352.db2.gz QSIQGIVRQWNKCE-UHFFFAOYSA-N 2 2 222.292 0.590 20 0 BCADLP Cc1ncc(C[NH+]2C[C@@H]3C[NH+](C)C[C@H]3C2)cn1 ZINC000352414337 180146055 /nfs/dbraw/zinc/14/60/55/180146055.db2.gz TYFZWRGLAVZYRO-STQMWFEESA-N 2 2 232.331 0.778 20 0 BCADLP Cc1nc(NC[C@H](C)N2CC[NH+](C)CC2)cc[nH+]1 ZINC000266337179 180201115 /nfs/dbraw/zinc/20/11/15/180201115.db2.gz HTIGCVALQUOSRG-NSHDSACASA-N 2 2 249.362 0.833 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000427508680 191079938 /nfs/dbraw/zinc/07/99/38/191079938.db2.gz DPPOKKJQZDDNKM-CMPLNLGQSA-N 2 2 248.330 0.423 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000427508680 191079939 /nfs/dbraw/zinc/07/99/39/191079939.db2.gz DPPOKKJQZDDNKM-CMPLNLGQSA-N 2 2 248.330 0.423 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000427508683 191079290 /nfs/dbraw/zinc/07/92/90/191079290.db2.gz DPPOKKJQZDDNKM-ZYHUDNBSSA-N 2 2 248.330 0.423 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000427508683 191079291 /nfs/dbraw/zinc/07/92/91/191079291.db2.gz DPPOKKJQZDDNKM-ZYHUDNBSSA-N 2 2 248.330 0.423 20 0 BCADLP CCC[N@H+](CC)C[C@H](O)C[NH+](C)CCOC ZINC000309225261 350212881 /nfs/dbraw/zinc/21/28/81/350212881.db2.gz HLEBVDTVBGJNDA-GFCCVEGCSA-N 2 2 232.368 0.657 20 0 BCADLP CCC[N@@H+](CC)C[C@H](O)C[NH+](C)CCOC ZINC000309225261 350212882 /nfs/dbraw/zinc/21/28/82/350212882.db2.gz HLEBVDTVBGJNDA-GFCCVEGCSA-N 2 2 232.368 0.657 20 0 BCADLP CCC[NH+](CC)C[C@H](O)C[N@H+](C)CCOC ZINC000309225261 350212884 /nfs/dbraw/zinc/21/28/84/350212884.db2.gz HLEBVDTVBGJNDA-GFCCVEGCSA-N 2 2 232.368 0.657 20 0 BCADLP CCC[NH+](CC)C[C@H](O)C[N@@H+](C)CCOC ZINC000309225261 350212886 /nfs/dbraw/zinc/21/28/86/350212886.db2.gz HLEBVDTVBGJNDA-GFCCVEGCSA-N 2 2 232.368 0.657 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnn(C)n1 ZINC000289387782 180234684 /nfs/dbraw/zinc/23/46/84/180234684.db2.gz QMJKYFCDPHFSJX-UHFFFAOYSA-N 2 2 248.334 0.842 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnn(C)n1 ZINC000289387782 180234686 /nfs/dbraw/zinc/23/46/86/180234686.db2.gz QMJKYFCDPHFSJX-UHFFFAOYSA-N 2 2 248.334 0.842 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ncnn1C ZINC000136402889 180236702 /nfs/dbraw/zinc/23/67/02/180236702.db2.gz MBZSMWXXXWAIRT-UHFFFAOYSA-N 2 2 248.334 0.842 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ncnn1C ZINC000136402889 180236704 /nfs/dbraw/zinc/23/67/04/180236704.db2.gz MBZSMWXXXWAIRT-UHFFFAOYSA-N 2 2 248.334 0.842 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](O)C[C@H]1C ZINC000308754128 180254511 /nfs/dbraw/zinc/25/45/11/180254511.db2.gz UBPBQPXZYOYUQQ-KOLCDFICSA-N 2 2 209.293 0.647 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000308754128 180254512 /nfs/dbraw/zinc/25/45/12/180254512.db2.gz UBPBQPXZYOYUQQ-KOLCDFICSA-N 2 2 209.293 0.647 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCNC(=O)CC1 ZINC000270858774 180255149 /nfs/dbraw/zinc/25/51/49/180255149.db2.gz JOBVNYGVBLKESH-UHFFFAOYSA-N 2 2 222.292 0.013 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCNC(=O)CC1 ZINC000270858774 180255152 /nfs/dbraw/zinc/25/51/52/180255152.db2.gz JOBVNYGVBLKESH-UHFFFAOYSA-N 2 2 222.292 0.013 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351817081 180255331 /nfs/dbraw/zinc/25/53/31/180255331.db2.gz UIMHDYKBXWULFG-KOLCDFICSA-N 2 2 209.293 0.504 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351817081 180255333 /nfs/dbraw/zinc/25/53/33/180255333.db2.gz UIMHDYKBXWULFG-KOLCDFICSA-N 2 2 209.293 0.504 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000299954241 180255857 /nfs/dbraw/zinc/25/58/57/180255857.db2.gz AUOVCFNJNRUITC-JQWIXIFHSA-N 2 2 239.319 0.273 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000299954241 180255859 /nfs/dbraw/zinc/25/58/59/180255859.db2.gz AUOVCFNJNRUITC-JQWIXIFHSA-N 2 2 239.319 0.273 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000308754133 180256270 /nfs/dbraw/zinc/25/62/70/180256270.db2.gz UBPBQPXZYOYUQQ-ONGXEEELSA-N 2 2 209.293 0.647 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000308754133 180256273 /nfs/dbraw/zinc/25/62/73/180256273.db2.gz UBPBQPXZYOYUQQ-ONGXEEELSA-N 2 2 209.293 0.647 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)[C@H](C)O ZINC000564975788 490436188 /nfs/dbraw/zinc/43/61/88/490436188.db2.gz MUABOOBAMIZZNG-WOPDTQHZSA-N 2 2 230.352 0.192 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)[C@H](C)O ZINC000564975788 490436192 /nfs/dbraw/zinc/43/61/92/490436192.db2.gz MUABOOBAMIZZNG-WOPDTQHZSA-N 2 2 230.352 0.192 20 0 BCADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000068940219 350313426 /nfs/dbraw/zinc/31/34/26/350313426.db2.gz NIPQBSMCZWVERW-WDEREUQCSA-N 2 2 248.392 0.493 20 0 BCADLP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000068940225 350313465 /nfs/dbraw/zinc/31/34/65/350313465.db2.gz NIPQBSMCZWVERW-MNOVXSKESA-N 2 2 248.392 0.493 20 0 BCADLP C[C@H]([NH3+])CCC(=O)NCc1[nH+]ccn1C ZINC000069840335 350419733 /nfs/dbraw/zinc/41/97/33/350419733.db2.gz PSIJPESPTUFWLI-QMMMGPOBSA-N 2 2 210.281 0.164 20 0 BCADLP CC[N@@H+]1CCCN(CC[NH+]2CCOCC2)CC1 ZINC000336696926 350451760 /nfs/dbraw/zinc/45/17/60/350451760.db2.gz JXVIHZXEGDTYCR-UHFFFAOYSA-N 2 2 241.379 0.346 20 0 BCADLP CC[N@H+]1CCCN(CC[NH+]2CCOCC2)CC1 ZINC000336696926 350451763 /nfs/dbraw/zinc/45/17/63/350451763.db2.gz JXVIHZXEGDTYCR-UHFFFAOYSA-N 2 2 241.379 0.346 20 0 BCADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1nccn1C ZINC000070007985 350492199 /nfs/dbraw/zinc/49/21/99/350492199.db2.gz XRSMPQQYTYUXRQ-JTQLQIEISA-N 2 2 219.292 0.967 20 0 BCADLP COC[C@@H](C)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070144021 350502828 /nfs/dbraw/zinc/50/28/28/350502828.db2.gz VLSJQCOGIKCOKJ-JTQLQIEISA-N 2 2 240.351 0.858 20 0 BCADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C)[NH+]1CC(C)C1 ZINC000581734571 350773565 /nfs/dbraw/zinc/77/35/65/350773565.db2.gz PNBAMYLWOMMLLK-VXGBXAGGSA-N 2 2 239.363 0.489 20 0 BCADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C)[NH+]1CC(C)C1 ZINC000581734571 350773568 /nfs/dbraw/zinc/77/35/68/350773568.db2.gz PNBAMYLWOMMLLK-VXGBXAGGSA-N 2 2 239.363 0.489 20 0 BCADLP CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000616609714 350803766 /nfs/dbraw/zinc/80/37/66/350803766.db2.gz INBRUHUPVWJMHO-JTQLQIEISA-N 2 2 243.351 0.934 20 0 BCADLP CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H]1C[NH3+] ZINC000616609714 350803769 /nfs/dbraw/zinc/80/37/69/350803769.db2.gz INBRUHUPVWJMHO-JTQLQIEISA-N 2 2 243.351 0.934 20 0 BCADLP Cc1c[nH]c(C[NH2+]CCc2c[nH+]cn2C)n1 ZINC000623086008 350843510 /nfs/dbraw/zinc/84/35/10/350843510.db2.gz SATXVQDKGPLLDU-UHFFFAOYSA-N 2 2 219.292 0.784 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226031530 350982301 /nfs/dbraw/zinc/98/23/01/350982301.db2.gz OIYXNIKQUJKSCD-GARJFASQSA-N 2 2 228.336 0.997 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226031530 350982305 /nfs/dbraw/zinc/98/23/05/350982305.db2.gz OIYXNIKQUJKSCD-GARJFASQSA-N 2 2 228.336 0.997 20 0 BCADLP CCOC(=O)[C@@H]1CCCC[N@H+](CC[NH3+])C1 ZINC000616631200 351104421 /nfs/dbraw/zinc/10/44/21/351104421.db2.gz YVKFSKJIJLEAQG-SNVBAGLBSA-N 2 2 214.309 0.610 20 0 BCADLP CCOC(=O)[C@@H]1CCCC[N@@H+](CC[NH3+])C1 ZINC000616631200 351104423 /nfs/dbraw/zinc/10/44/23/351104423.db2.gz YVKFSKJIJLEAQG-SNVBAGLBSA-N 2 2 214.309 0.610 20 0 BCADLP CCC[N@H+](C)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000607342336 351323984 /nfs/dbraw/zinc/32/39/84/351323984.db2.gz UXFPLNFWJBCVDK-UHFFFAOYSA-N 2 2 236.319 0.608 20 0 BCADLP CCC[N@@H+](C)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000607342336 351323989 /nfs/dbraw/zinc/32/39/89/351323989.db2.gz UXFPLNFWJBCVDK-UHFFFAOYSA-N 2 2 236.319 0.608 20 0 BCADLP CCNC(=O)C(C)(C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000571940419 323510414 /nfs/dbraw/zinc/51/04/14/323510414.db2.gz VHNKCPUPWYXAHU-UHFFFAOYSA-N 2 2 238.335 0.733 20 0 BCADLP C[NH+]1CCC([NH2+]C[C@H]2CCCS2(=O)=O)CC1 ZINC000087970670 351439790 /nfs/dbraw/zinc/43/97/90/351439790.db2.gz MVLKCMYVSQOPOI-LLVKDONJSA-N 2 2 246.376 0.247 20 0 BCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[NH2+]CC1)CC2 ZINC000637801461 351632761 /nfs/dbraw/zinc/63/27/61/351632761.db2.gz MXABXMJTBNWPLV-NSHDSACASA-N 2 2 248.330 0.186 20 0 BCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CCC[NH2+]C2)[nH+]1 ZINC000637805644 351641368 /nfs/dbraw/zinc/64/13/68/351641368.db2.gz OETOIPLGUYDSRH-SNVBAGLBSA-N 2 2 236.319 0.383 20 0 BCADLP C[NH2+]CCCNC(=O)c1cc(C)cn2cc[nH+]c12 ZINC000637805363 351645498 /nfs/dbraw/zinc/64/54/98/351645498.db2.gz HHFVLEICEHTVFX-UHFFFAOYSA-N 2 2 246.314 0.982 20 0 BCADLP CCc1c[nH]c(CC(=O)N2CC[NH2+]C[C@H]2C)[nH+]1 ZINC000637816605 351657204 /nfs/dbraw/zinc/65/72/04/351657204.db2.gz JRRAGEOFSIIHCM-SECBINFHSA-N 2 2 236.319 0.335 20 0 BCADLP CCO[C@@H]1C[C@@H]1[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000577739749 366047439 /nfs/dbraw/zinc/04/74/39/366047439.db2.gz JLSZLMDQWXROKV-NOOOWODRSA-N 2 2 228.336 0.520 20 0 BCADLP CCc1c[nH]c(CC(=O)N(C)[C@@H]2CC[NH2+]C2)[nH+]1 ZINC000637838286 351692952 /nfs/dbraw/zinc/69/29/52/351692952.db2.gz UOWOVTQRHLRCFT-SNVBAGLBSA-N 2 2 236.319 0.335 20 0 BCADLP [NH3+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC000637841026 351696470 /nfs/dbraw/zinc/69/64/70/351696470.db2.gz PVRDQEZHOXRAMN-NXEZZACHSA-N 2 2 248.330 0.901 20 0 BCADLP [NH3+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC000637841026 351696474 /nfs/dbraw/zinc/69/64/74/351696474.db2.gz PVRDQEZHOXRAMN-NXEZZACHSA-N 2 2 248.330 0.901 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000637841632 351698105 /nfs/dbraw/zinc/69/81/05/351698105.db2.gz VHRDELKGCYOMHJ-IUCAKERBSA-N 2 2 236.319 0.469 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000637841633 351698167 /nfs/dbraw/zinc/69/81/67/351698167.db2.gz VHRDELKGCYOMHJ-RKDXNWHRSA-N 2 2 236.319 0.469 20 0 BCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[NH2+]1 ZINC000637842279 351698812 /nfs/dbraw/zinc/69/88/12/351698812.db2.gz SVNISUMOSNQBRV-OPRDCNLKSA-N 2 2 234.303 0.334 20 0 BCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[NH2+]1 ZINC000637842279 351698816 /nfs/dbraw/zinc/69/88/16/351698816.db2.gz SVNISUMOSNQBRV-OPRDCNLKSA-N 2 2 234.303 0.334 20 0 BCADLP CC[NH2+]CCNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000637827001 351675012 /nfs/dbraw/zinc/67/50/12/351675012.db2.gz LQJNRKVFIMZLGY-UHFFFAOYSA-N 2 2 224.308 0.240 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H]2CC(=O)N(C)C2)n1C ZINC000577769319 366059051 /nfs/dbraw/zinc/05/90/51/366059051.db2.gz HIJPUYWBVDDZOT-VIFPVBQESA-N 2 2 222.292 0.049 20 0 BCADLP CCCC[C@H](C[NH3+])NC(=O)Cc1[nH]c[nH+]c1C ZINC000637867604 351731479 /nfs/dbraw/zinc/73/14/79/351731479.db2.gz VVHKXDLZDBBVJD-SNVBAGLBSA-N 2 2 238.335 0.894 20 0 BCADLP CCCC[C@H](C[NH3+])NC(=O)Cc1[nH+]c[nH]c1C ZINC000637867604 351731481 /nfs/dbraw/zinc/73/14/81/351731481.db2.gz VVHKXDLZDBBVJD-SNVBAGLBSA-N 2 2 238.335 0.894 20 0 BCADLP CC(C)CC[C@@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000638051853 351929655 /nfs/dbraw/zinc/92/96/55/351929655.db2.gz SXUZRAMHCFESKK-LLVKDONJSA-N 2 2 238.335 0.763 20 0 BCADLP Cc1cn2ccc(C(=O)NC[C@@H](C)C[NH3+])cc2[nH+]1 ZINC000638144817 352007558 /nfs/dbraw/zinc/00/75/58/352007558.db2.gz OKJBLCPVOPRERS-VIFPVBQESA-N 2 2 246.314 0.967 20 0 BCADLP CO[C@H]1C[NH2+][C@](C)(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000638098768 351978683 /nfs/dbraw/zinc/97/86/83/351978683.db2.gz ONBCWPRNHSIBFS-MFKMUULPSA-N 2 2 249.314 0.517 20 0 BCADLP CC[NH2+][C@@H](C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000638119394 351993683 /nfs/dbraw/zinc/99/36/83/351993683.db2.gz QIVPLPYUHMHBSK-JTQLQIEISA-N 2 2 246.314 0.949 20 0 BCADLP Cc1cc(C[NH3+])oc1C(=O)N1CC[NH+](C)CC1 ZINC000638149876 352013388 /nfs/dbraw/zinc/01/33/88/352013388.db2.gz RRVRRICJCLJBES-UHFFFAOYSA-N 2 2 237.303 0.434 20 0 BCADLP COCC[N@H+](C)CC[NH2+]CC1(O)CCCC1 ZINC000083587137 351996270 /nfs/dbraw/zinc/99/62/70/351996270.db2.gz DUCOJDLHVLZOHH-UHFFFAOYSA-N 2 2 230.352 0.459 20 0 BCADLP COCC[N@@H+](C)CC[NH2+]CC1(O)CCCC1 ZINC000083587137 351996274 /nfs/dbraw/zinc/99/62/74/351996274.db2.gz DUCOJDLHVLZOHH-UHFFFAOYSA-N 2 2 230.352 0.459 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000638175937 352041919 /nfs/dbraw/zinc/04/19/19/352041919.db2.gz ACPVIAUBGWANQX-KCJUWKMLSA-N 2 2 236.319 0.375 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000638175934 352042039 /nfs/dbraw/zinc/04/20/39/352042039.db2.gz ACPVIAUBGWANQX-GZMMTYOYSA-N 2 2 236.319 0.375 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638176482 352042222 /nfs/dbraw/zinc/04/22/22/352042222.db2.gz CMXMZYPVJZYGHJ-GWOFURMSSA-N 2 2 248.330 0.627 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638176482 352042226 /nfs/dbraw/zinc/04/22/26/352042226.db2.gz CMXMZYPVJZYGHJ-GWOFURMSSA-N 2 2 248.330 0.627 20 0 BCADLP CC[NH2+][C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC000638212865 352075348 /nfs/dbraw/zinc/07/53/48/352075348.db2.gz OIVFRXXXPHWBSC-MRVPVSSYSA-N 2 2 224.308 0.375 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000638200078 352060185 /nfs/dbraw/zinc/06/01/85/352060185.db2.gz NRAIWKQGXIPTNU-GWOFURMSSA-N 2 2 248.330 0.899 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000638200078 352060190 /nfs/dbraw/zinc/06/01/90/352060190.db2.gz NRAIWKQGXIPTNU-GWOFURMSSA-N 2 2 248.330 0.899 20 0 BCADLP CO[C@@H](C[NH2+]CCn1cc[nH+]c1)[C@H]1CCOC1 ZINC000638297747 352130054 /nfs/dbraw/zinc/13/00/54/352130054.db2.gz KAIBJVGALRHBGB-RYUDHWBXSA-N 2 2 239.319 0.524 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638256654 352099904 /nfs/dbraw/zinc/09/99/04/352099904.db2.gz QHJVPMAQFFSTLZ-FNCVBFRFSA-N 2 2 222.292 0.365 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638256654 352099907 /nfs/dbraw/zinc/09/99/07/352099907.db2.gz QHJVPMAQFFSTLZ-FNCVBFRFSA-N 2 2 222.292 0.365 20 0 BCADLP CC[C@@H]([NH3+])CNC(=O)Cc1[nH+]c[nH]c1C ZINC000638260253 352104437 /nfs/dbraw/zinc/10/44/37/352104437.db2.gz XKELTUVPUYPVRX-MRVPVSSYSA-N 2 2 210.281 0.114 20 0 BCADLP CCc1c[nH]c(CC(=O)NC(C)(C)CC[NH3+])[nH+]1 ZINC000638355946 352168383 /nfs/dbraw/zinc/16/83/83/352168383.db2.gz SVRFAWQGPBYXJJ-UHFFFAOYSA-N 2 2 238.335 0.758 20 0 BCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638369820 352180042 /nfs/dbraw/zinc/18/00/42/352180042.db2.gz VAQJDOXBABEKEA-UTINFBMNSA-N 2 2 236.319 0.755 20 0 BCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638369820 352180044 /nfs/dbraw/zinc/18/00/44/352180044.db2.gz VAQJDOXBABEKEA-UTINFBMNSA-N 2 2 236.319 0.755 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000638368971 352181391 /nfs/dbraw/zinc/18/13/91/352181391.db2.gz CPBBZMMBACLOMR-SFYZADRCSA-N 2 2 224.308 0.503 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000638368971 352181394 /nfs/dbraw/zinc/18/13/94/352181394.db2.gz CPBBZMMBACLOMR-SFYZADRCSA-N 2 2 224.308 0.503 20 0 BCADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ncnn2C)C1 ZINC000638409133 352218644 /nfs/dbraw/zinc/21/86/44/352218644.db2.gz JMQJXXSETDYISF-NSHDSACASA-N 2 2 237.351 0.637 20 0 BCADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ncnn2C)C1 ZINC000638409133 352218647 /nfs/dbraw/zinc/21/86/47/352218647.db2.gz JMQJXXSETDYISF-NSHDSACASA-N 2 2 237.351 0.637 20 0 BCADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC000638451554 352259535 /nfs/dbraw/zinc/25/95/35/352259535.db2.gz PJEGXVBZQATMTP-LLVKDONJSA-N 2 2 237.351 0.637 20 0 BCADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC000638451554 352259539 /nfs/dbraw/zinc/25/95/39/352259539.db2.gz PJEGXVBZQATMTP-LLVKDONJSA-N 2 2 237.351 0.637 20 0 BCADLP C[C@@]1(C[NH2+]Cc2cc[nH]n2)CCC[NH2+]C1 ZINC000414915577 352262409 /nfs/dbraw/zinc/26/24/09/352262409.db2.gz ZQRLLWXMNGVLML-LLVKDONJSA-N 2 2 208.309 0.889 20 0 BCADLP Cn1ccnc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044536993 352353457 /nfs/dbraw/zinc/35/34/57/352353457.db2.gz WWVROHIPMKFPGS-NSHDSACASA-N 2 2 222.336 0.852 20 0 BCADLP Cn1ccnc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044536993 352353461 /nfs/dbraw/zinc/35/34/61/352353461.db2.gz WWVROHIPMKFPGS-NSHDSACASA-N 2 2 222.336 0.852 20 0 BCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638506221 352327579 /nfs/dbraw/zinc/32/75/79/352327579.db2.gz QLJKJPJLVGBNNT-NSHDSACASA-N 2 2 248.330 0.674 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000638596522 352426300 /nfs/dbraw/zinc/42/63/00/352426300.db2.gz LFTCYEHBZDCJCJ-OLZOCXBDSA-N 2 2 241.379 0.391 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000638596522 352426304 /nfs/dbraw/zinc/42/63/04/352426304.db2.gz LFTCYEHBZDCJCJ-OLZOCXBDSA-N 2 2 241.379 0.391 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000070854755 180744933 /nfs/dbraw/zinc/74/49/33/180744933.db2.gz FHVDRRJKVYRNNF-LLVKDONJSA-N 2 2 222.292 0.036 20 0 BCADLP C[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[NH2+]1 ZINC000638642519 352484248 /nfs/dbraw/zinc/48/42/48/352484248.db2.gz WQOYYUWANGSOPL-LNFKQOIKSA-N 2 2 248.330 0.770 20 0 BCADLP C[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[NH2+]1 ZINC000638642519 352484252 /nfs/dbraw/zinc/48/42/52/352484252.db2.gz WQOYYUWANGSOPL-LNFKQOIKSA-N 2 2 248.330 0.770 20 0 BCADLP CC(C)c1[nH+]ccn1Cc1noc(C[NH3+])n1 ZINC000300962501 352581294 /nfs/dbraw/zinc/58/12/94/352581294.db2.gz VRLYGIPBAZNBON-UHFFFAOYSA-N 2 2 221.264 0.897 20 0 BCADLP CN(C)C(=O)C1([NH2+]CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000411914402 191226569 /nfs/dbraw/zinc/22/65/69/191226569.db2.gz PZBCWERIQMMOQV-NSHDSACASA-N 2 2 239.363 0.681 20 0 BCADLP CN(C)C(=O)C1([NH2+]CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000411914402 191226572 /nfs/dbraw/zinc/22/65/72/191226572.db2.gz PZBCWERIQMMOQV-NSHDSACASA-N 2 2 239.363 0.681 20 0 BCADLP CO[C@H](C[NH2+]CC[NH+]1CCCC1)[C@H]1CCOC1 ZINC000638861849 353031511 /nfs/dbraw/zinc/03/15/11/353031511.db2.gz AISUMXSGIXAIST-QWHCGFSZSA-N 2 2 242.363 0.723 20 0 BCADLP CO[C@@H](C[NH2+]CC[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000638861848 353031560 /nfs/dbraw/zinc/03/15/60/353031560.db2.gz AISUMXSGIXAIST-OLZOCXBDSA-N 2 2 242.363 0.723 20 0 BCADLP C[C@H](Cc1cnccn1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000638866231 353040272 /nfs/dbraw/zinc/04/02/72/353040272.db2.gz PLJSUFTWYPMYKL-GHMZBOCLSA-N 2 2 222.336 0.947 20 0 BCADLP Cn1ncnc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000638874877 353045013 /nfs/dbraw/zinc/04/50/13/353045013.db2.gz XTZCISNBYMAXNQ-UHFFFAOYSA-N 2 2 246.318 0.802 20 0 BCADLP CCc1c[nH]c(CC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)[nH+]1 ZINC000638929627 353090487 /nfs/dbraw/zinc/09/04/87/353090487.db2.gz GZEOOOFGRCVTFE-IUCAKERBSA-N 2 2 236.319 0.463 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000638930145 353091117 /nfs/dbraw/zinc/09/11/17/353091117.db2.gz IULCNQIXSXMDSQ-OUAUKWLOSA-N 2 2 248.330 0.394 20 0 BCADLP CC(C)(C[NH3+])NC(=O)CCn1cc[nH+]c1 ZINC000063020326 188014851 /nfs/dbraw/zinc/01/48/51/188014851.db2.gz GZLHWZIIGGMXCZ-UHFFFAOYSA-N 2 2 210.281 0.127 20 0 BCADLP Cc1nn(C)cc1C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000291675091 188037106 /nfs/dbraw/zinc/03/71/06/188037106.db2.gz WQNMYEFUZRYLQR-UHFFFAOYSA-N 2 2 231.303 0.941 20 0 BCADLP Cc1nn(C)cc1C[N@H+]1CCn2c[nH+]cc2C1 ZINC000291675091 188037108 /nfs/dbraw/zinc/03/71/08/188037108.db2.gz WQNMYEFUZRYLQR-UHFFFAOYSA-N 2 2 231.303 0.941 20 0 BCADLP Cc1ccnc([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)c1 ZINC000353506462 188234527 /nfs/dbraw/zinc/23/45/27/188234527.db2.gz YPUCEPFULQCAKY-NEPJUHHUSA-N 2 2 237.347 0.963 20 0 BCADLP C[NH+](C)Cc1cc(C(=O)NCc2[nH]cc[nH+]2)no1 ZINC000355596141 188237627 /nfs/dbraw/zinc/23/76/27/188237627.db2.gz NSRJCJGREPCKTF-UHFFFAOYSA-N 2 2 249.274 0.389 20 0 BCADLP C[C@H]1C[N@H+](CC(=O)N2CCCCC2)CC[C@H]1[NH3+] ZINC000251715073 353286763 /nfs/dbraw/zinc/28/67/63/353286763.db2.gz JQOGYAOLMCMIOM-NWDGAFQWSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@H]1C[N@@H+](CC(=O)N2CCCCC2)CC[C@H]1[NH3+] ZINC000251715073 353286766 /nfs/dbraw/zinc/28/67/66/353286766.db2.gz JQOGYAOLMCMIOM-NWDGAFQWSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)CC[C@H]1[NH3+] ZINC000251771764 353287735 /nfs/dbraw/zinc/28/77/35/353287735.db2.gz MLJKJGFCCZGGRS-NXEZZACHSA-N 2 2 227.352 0.570 20 0 BCADLP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)CC[C@H]1[NH3+] ZINC000251771764 353287737 /nfs/dbraw/zinc/28/77/37/353287737.db2.gz MLJKJGFCCZGGRS-NXEZZACHSA-N 2 2 227.352 0.570 20 0 BCADLP CC(C)[N@H+](CC[C@H]1CCC[NH+]1C)CC(N)=O ZINC000124746039 188257563 /nfs/dbraw/zinc/25/75/63/188257563.db2.gz CVDFLWKGISXOTP-LLVKDONJSA-N 2 2 227.352 0.666 20 0 BCADLP CC(C)[N@@H+](CC[C@H]1CCC[NH+]1C)CC(N)=O ZINC000124746039 188257565 /nfs/dbraw/zinc/25/75/65/188257565.db2.gz CVDFLWKGISXOTP-LLVKDONJSA-N 2 2 227.352 0.666 20 0 BCADLP CC(C)[NH+](CC[C@H]1CCC[N@@H+]1C)CC(N)=O ZINC000124746039 188257566 /nfs/dbraw/zinc/25/75/66/188257566.db2.gz CVDFLWKGISXOTP-LLVKDONJSA-N 2 2 227.352 0.666 20 0 BCADLP CC(C)[NH+](CC[C@H]1CCC[N@H+]1C)CC(N)=O ZINC000124746039 188257567 /nfs/dbraw/zinc/25/75/67/188257567.db2.gz CVDFLWKGISXOTP-LLVKDONJSA-N 2 2 227.352 0.666 20 0 BCADLP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251868835 353293545 /nfs/dbraw/zinc/29/35/45/353293545.db2.gz TWPCYKZDCVBWOP-GHMZBOCLSA-N 2 2 227.352 0.522 20 0 BCADLP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251868835 353293549 /nfs/dbraw/zinc/29/35/49/353293549.db2.gz TWPCYKZDCVBWOP-GHMZBOCLSA-N 2 2 227.352 0.522 20 0 BCADLP CC(C)[C@H]([NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000020506376 188282490 /nfs/dbraw/zinc/28/24/90/188282490.db2.gz GMBAOBVLOVGQPX-JTQLQIEISA-N 2 2 224.308 0.373 20 0 BCADLP CCOC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252842895 353312081 /nfs/dbraw/zinc/31/20/81/353312081.db2.gz CUEHAEAHMCWFLD-DCAQKATOSA-N 2 2 226.320 0.609 20 0 BCADLP CCOC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252842895 353312083 /nfs/dbraw/zinc/31/20/83/353312083.db2.gz CUEHAEAHMCWFLD-DCAQKATOSA-N 2 2 226.320 0.609 20 0 BCADLP CCOC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252842896 353312125 /nfs/dbraw/zinc/31/21/25/353312125.db2.gz CUEHAEAHMCWFLD-GARJFASQSA-N 2 2 226.320 0.609 20 0 BCADLP CCOC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252842896 353312126 /nfs/dbraw/zinc/31/21/26/353312126.db2.gz CUEHAEAHMCWFLD-GARJFASQSA-N 2 2 226.320 0.609 20 0 BCADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1nccn1C ZINC000252894344 353312916 /nfs/dbraw/zinc/31/29/16/353312916.db2.gz UXWHPXDHVDSRNQ-WDEREUQCSA-N 2 2 222.336 0.850 20 0 BCADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1nccn1C ZINC000252894344 353312918 /nfs/dbraw/zinc/31/29/18/353312918.db2.gz UXWHPXDHVDSRNQ-WDEREUQCSA-N 2 2 222.336 0.850 20 0 BCADLP CC(C)([NH3+])C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000083883837 188317223 /nfs/dbraw/zinc/31/72/23/188317223.db2.gz GVQHATWUYKFKER-UHFFFAOYSA-N 2 2 246.314 0.730 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000563713864 353358002 /nfs/dbraw/zinc/35/80/02/353358002.db2.gz MXKFWNPVZOLCPV-NWDGAFQWSA-N 3 2 227.352 0.036 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000563713864 353358007 /nfs/dbraw/zinc/35/80/07/353358007.db2.gz MXKFWNPVZOLCPV-NWDGAFQWSA-N 3 2 227.352 0.036 20 0 BCADLP Cc1nn(C)cc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000126222901 188330574 /nfs/dbraw/zinc/33/05/74/188330574.db2.gz PKLNRYPJAJHYAX-GFCCVEGCSA-N 2 2 222.336 0.912 20 0 BCADLP Cc1nn(C)cc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000126222901 188330576 /nfs/dbraw/zinc/33/05/76/188330576.db2.gz PKLNRYPJAJHYAX-GFCCVEGCSA-N 2 2 222.336 0.912 20 0 BCADLP Cn1nccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000085282257 538115972 /nfs/dbraw/zinc/11/59/72/538115972.db2.gz XSSPBIXDSAQIHE-UWVGGRQHSA-N 2 2 206.293 0.071 20 0 BCADLP CCOC1CC(C[NH2+]CC[N@H+](CC)CCO)C1 ZINC000639052139 353352386 /nfs/dbraw/zinc/35/23/86/353352386.db2.gz BZLCEBGSXMUXID-UHFFFAOYSA-N 2 2 244.379 0.705 20 0 BCADLP CCOC1CC(C[NH2+]CC[N@@H+](CC)CCO)C1 ZINC000639052139 353352388 /nfs/dbraw/zinc/35/23/88/353352388.db2.gz BZLCEBGSXMUXID-UHFFFAOYSA-N 2 2 244.379 0.705 20 0 BCADLP CC(=O)NCCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336762457 188348312 /nfs/dbraw/zinc/34/83/12/188348312.db2.gz ODZTWIUHIUVITH-ONGXEEELSA-N 2 2 213.325 0.052 20 0 BCADLP CC(=O)NCCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336762457 188348314 /nfs/dbraw/zinc/34/83/14/188348314.db2.gz ODZTWIUHIUVITH-ONGXEEELSA-N 2 2 213.325 0.052 20 0 BCADLP CC[C@@H](C(=O)N1CCn2c[nH+]cc2C1)[NH+](C)C ZINC000291059452 188390607 /nfs/dbraw/zinc/39/06/07/188390607.db2.gz HSBAAFYKQFKUIT-NSHDSACASA-N 2 2 236.319 0.566 20 0 BCADLP COc1nccc(C[NH2+]CCC[NH+]2CCC2)n1 ZINC000577865519 366091524 /nfs/dbraw/zinc/09/15/24/366091524.db2.gz DLVHYURUMANRRD-UHFFFAOYSA-N 2 2 236.319 0.671 20 0 BCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)c1c[nH+]ccc1N ZINC000232228738 353702841 /nfs/dbraw/zinc/70/28/41/353702841.db2.gz UVENHELGRFOGOM-SECBINFHSA-N 2 2 234.303 0.440 20 0 BCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1c[nH+]ccc1N ZINC000232228738 353702843 /nfs/dbraw/zinc/70/28/43/353702843.db2.gz UVENHELGRFOGOM-SECBINFHSA-N 2 2 234.303 0.440 20 0 BCADLP CC1(C)CCC[NH2+][C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000232940352 353780278 /nfs/dbraw/zinc/78/02/78/353780278.db2.gz BIKPYMBYPZBXGJ-JTQLQIEISA-N 2 2 236.319 0.804 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CCc2cnn(C)c2)[C@@H](C)C1 ZINC000343344721 353824513 /nfs/dbraw/zinc/82/45/13/353824513.db2.gz DLHCSEFWPIUPQU-AAEUAGOBSA-N 2 2 236.363 0.892 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]CCc2cnn(C)c2)[C@@H](C)C1 ZINC000343344721 353824516 /nfs/dbraw/zinc/82/45/16/353824516.db2.gz DLHCSEFWPIUPQU-AAEUAGOBSA-N 2 2 236.363 0.892 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000343583064 353939895 /nfs/dbraw/zinc/93/98/95/353939895.db2.gz RRJLEDWTEOOXDW-JQWIXIFHSA-N 2 2 239.363 0.524 20 0 BCADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000343583064 353939898 /nfs/dbraw/zinc/93/98/98/353939898.db2.gz RRJLEDWTEOOXDW-JQWIXIFHSA-N 2 2 239.363 0.524 20 0 BCADLP C[C@@H](C(N)=O)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000343583064 353939900 /nfs/dbraw/zinc/93/99/00/353939900.db2.gz RRJLEDWTEOOXDW-JQWIXIFHSA-N 2 2 239.363 0.524 20 0 BCADLP C[C@@H](C(N)=O)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000343583064 353939901 /nfs/dbraw/zinc/93/99/01/353939901.db2.gz RRJLEDWTEOOXDW-JQWIXIFHSA-N 2 2 239.363 0.524 20 0 BCADLP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623175774 353972731 /nfs/dbraw/zinc/97/27/31/353972731.db2.gz MFIJBDBWEJZEAW-MNOVXSKESA-N 2 2 248.330 0.266 20 0 BCADLP C[C@H](NC(=O)N[C@@H]1CC[NH2+]C1)c1[nH+]ccn1C ZINC000627117254 363282249 /nfs/dbraw/zinc/28/22/49/363282249.db2.gz FTGMFSPMOVRGBX-DTWKUNHWSA-N 2 2 237.307 0.142 20 0 BCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[NH2+]1 ZINC000623176082 354002479 /nfs/dbraw/zinc/00/24/79/354002479.db2.gz DNQITJLGOZKPAB-GHMZBOCLSA-N 2 2 248.330 0.266 20 0 BCADLP O=C(NCC[NH2+]C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000623176144 354005373 /nfs/dbraw/zinc/00/53/73/354005373.db2.gz IAZYDRTZTALSJV-JTQLQIEISA-N 2 2 248.330 0.314 20 0 BCADLP [NH3+]C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000623176312 354010588 /nfs/dbraw/zinc/01/05/88/354010588.db2.gz UMIYFXGIHHCZEO-QWRGUYRKSA-N 2 2 248.330 0.299 20 0 BCADLP C[C@@H](C[NH2+]Cc1cn(C)nn1)Cn1cc[nH+]c1 ZINC000343815191 354013139 /nfs/dbraw/zinc/01/31/39/354013139.db2.gz XTCAJUPNHJKJTI-JTQLQIEISA-N 2 2 234.307 0.438 20 0 BCADLP Cc1cncc([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c1 ZINC000343842807 354020198 /nfs/dbraw/zinc/02/01/98/354020198.db2.gz VLQROPQFQFKNOR-DGCLKSJQSA-N 2 2 237.347 0.963 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NCc1[nH]cc[nH+]1 ZINC000165911030 354095115 /nfs/dbraw/zinc/09/51/15/354095115.db2.gz GIKGRWPVQYYTPK-KOLCDFICSA-N 2 2 220.320 0.982 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCc1[nH]cc[nH+]1 ZINC000165911030 354095119 /nfs/dbraw/zinc/09/51/19/354095119.db2.gz GIKGRWPVQYYTPK-KOLCDFICSA-N 2 2 220.320 0.982 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000449740185 202011869 /nfs/dbraw/zinc/01/18/69/202011869.db2.gz NYQZRCGKXQXRBB-JLLWLGSASA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000449740185 202011873 /nfs/dbraw/zinc/01/18/73/202011873.db2.gz NYQZRCGKXQXRBB-JLLWLGSASA-N 2 2 212.337 0.687 20 0 BCADLP C[C@]1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[NH2+]C1 ZINC000623180568 354245196 /nfs/dbraw/zinc/24/51/96/354245196.db2.gz MZSJASXFDGFTGV-MFKMUULPSA-N 2 2 248.330 0.314 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]C[C@](C)(O)CCOC)[C@@H](C)C1 ZINC000344316347 354221958 /nfs/dbraw/zinc/22/19/58/354221958.db2.gz JWECGUVMQHPMQX-RWMBFGLXSA-N 2 2 244.379 0.704 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@](C)(O)CCOC)[C@@H](C)C1 ZINC000344316347 354221959 /nfs/dbraw/zinc/22/19/59/354221959.db2.gz JWECGUVMQHPMQX-RWMBFGLXSA-N 2 2 244.379 0.704 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC(=O)N(C)C2)C1 ZINC000344459775 354264927 /nfs/dbraw/zinc/26/49/27/354264927.db2.gz MXSFZXPAMICPMG-SDDRHHMPSA-N 2 2 239.363 0.537 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC(=O)N(C)C2)C1 ZINC000344459775 354264930 /nfs/dbraw/zinc/26/49/30/354264930.db2.gz MXSFZXPAMICPMG-SDDRHHMPSA-N 2 2 239.363 0.537 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cnnn2C)[C@@H](C)C1 ZINC000344542804 354312498 /nfs/dbraw/zinc/31/24/98/354312498.db2.gz FBQIHZZEXDXSBH-CMPLNLGQSA-N 2 2 237.351 0.635 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cnnn2C)[C@@H](C)C1 ZINC000344542804 354312501 /nfs/dbraw/zinc/31/25/01/354312501.db2.gz FBQIHZZEXDXSBH-CMPLNLGQSA-N 2 2 237.351 0.635 20 0 BCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000334814251 354572409 /nfs/dbraw/zinc/57/24/09/354572409.db2.gz WHOWUWOYBVDHFT-LBPRGKRZSA-N 2 2 239.363 0.635 20 0 BCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000334814251 354572413 /nfs/dbraw/zinc/57/24/13/354572413.db2.gz WHOWUWOYBVDHFT-LBPRGKRZSA-N 2 2 239.363 0.635 20 0 BCADLP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345791764 354769782 /nfs/dbraw/zinc/76/97/82/354769782.db2.gz XAEFCKFULOHSBC-IUCAKERBSA-N 2 2 249.305 0.440 20 0 BCADLP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345791762 354769840 /nfs/dbraw/zinc/76/98/40/354769840.db2.gz XAEFCKFULOHSBC-BDAKNGLRSA-N 2 2 249.305 0.440 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000346325267 354897498 /nfs/dbraw/zinc/89/74/98/354897498.db2.gz XMNCNAGRDLUHRX-IJLUTSLNSA-N 2 2 241.379 0.926 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000346325267 354897500 /nfs/dbraw/zinc/89/75/00/354897500.db2.gz XMNCNAGRDLUHRX-IJLUTSLNSA-N 2 2 241.379 0.926 20 0 BCADLP Cc1cc(NC(=O)[C@]23C[C@H]2CC[NH2+]3)cc[nH+]1 ZINC000335198472 355031912 /nfs/dbraw/zinc/03/19/12/355031912.db2.gz XZKNCRAIRZORPO-SKDRFNHKSA-N 2 2 217.272 0.502 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1CCn1cc[nH+]c1 ZINC000335975395 134031013 /nfs/dbraw/zinc/03/10/13/134031013.db2.gz XILOPNYZIYBOSK-NWDGAFQWSA-N 2 2 222.336 0.908 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CCn1cc[nH+]c1 ZINC000335975395 134031014 /nfs/dbraw/zinc/03/10/14/134031014.db2.gz XILOPNYZIYBOSK-NWDGAFQWSA-N 2 2 222.336 0.908 20 0 BCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[NH+](C)CC1 ZINC000346828000 355127437 /nfs/dbraw/zinc/12/74/37/355127437.db2.gz ZFGSCULOVPLDDF-NSHDSACASA-N 2 2 241.379 0.927 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+]C[C@H](C)[NH+](C)C ZINC000639233713 355216322 /nfs/dbraw/zinc/21/63/22/355216322.db2.gz PRRFTGHLPYSXSC-ZJUUUORDSA-N 2 2 211.313 0.206 20 0 BCADLP CCOCCO[C@H]1CC[N@H+](CC(C)(C)[NH3+])C1 ZINC000346965302 355172398 /nfs/dbraw/zinc/17/23/98/355172398.db2.gz HXOJTSOVORTLTQ-NSHDSACASA-N 2 2 230.352 0.851 20 0 BCADLP CCOCCO[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000346965302 355172399 /nfs/dbraw/zinc/17/23/99/355172399.db2.gz HXOJTSOVORTLTQ-NSHDSACASA-N 2 2 230.352 0.851 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c[nH+]1 ZINC000335243453 355180184 /nfs/dbraw/zinc/18/01/84/355180184.db2.gz XWBVEJJBXMYDDL-NXEZZACHSA-N 2 2 236.319 0.965 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c[nH+]1 ZINC000335243455 355180192 /nfs/dbraw/zinc/18/01/92/355180192.db2.gz XWBVEJJBXMYDDL-VHSXEESVSA-N 2 2 236.319 0.965 20 0 BCADLP CCC[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346999078 355195534 /nfs/dbraw/zinc/19/55/34/355195534.db2.gz FHQNPDRQMGQUBN-VXGBXAGGSA-N 2 2 239.363 0.587 20 0 BCADLP CCC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346999078 355195538 /nfs/dbraw/zinc/19/55/38/355195538.db2.gz FHQNPDRQMGQUBN-VXGBXAGGSA-N 2 2 239.363 0.587 20 0 BCADLP CCC[N@H+](C)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000346997853 355195723 /nfs/dbraw/zinc/19/57/23/355195723.db2.gz OPCAYJHBTDCFCX-GFCCVEGCSA-N 2 2 241.379 0.881 20 0 BCADLP CCC[N@@H+](C)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000346997853 355195725 /nfs/dbraw/zinc/19/57/25/355195725.db2.gz OPCAYJHBTDCFCX-GFCCVEGCSA-N 2 2 241.379 0.881 20 0 BCADLP CCC[N@H+](C)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000346997856 355195804 /nfs/dbraw/zinc/19/58/04/355195804.db2.gz OPCAYJHBTDCFCX-LBPRGKRZSA-N 2 2 241.379 0.881 20 0 BCADLP CCC[N@@H+](C)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000346997856 355195806 /nfs/dbraw/zinc/19/58/06/355195806.db2.gz OPCAYJHBTDCFCX-LBPRGKRZSA-N 2 2 241.379 0.881 20 0 BCADLP C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346999718 355197062 /nfs/dbraw/zinc/19/70/62/355197062.db2.gz YYBGJRMKSLXYJH-WDEREUQCSA-N 2 2 248.392 0.351 20 0 BCADLP C[C@@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346999718 355197065 /nfs/dbraw/zinc/19/70/65/355197065.db2.gz YYBGJRMKSLXYJH-WDEREUQCSA-N 2 2 248.392 0.351 20 0 BCADLP OC1CC[NH+](CC[NH2+]CCC[C@H]2CCO2)CC1 ZINC000639236361 355219316 /nfs/dbraw/zinc/21/93/16/355219316.db2.gz YXRNUXYAILFLLZ-ZDUSSCGKSA-N 2 2 242.363 0.602 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC000113513356 355250114 /nfs/dbraw/zinc/25/01/14/355250114.db2.gz ZYXUVULDORGIIF-SNVBAGLBSA-N 2 2 225.336 0.149 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000113513356 355250118 /nfs/dbraw/zinc/25/01/18/355250118.db2.gz ZYXUVULDORGIIF-SNVBAGLBSA-N 2 2 225.336 0.149 20 0 BCADLP CO[C@@]1(C[NH2+]CCc2cn(C)c[nH+]2)CCOC1 ZINC000639256301 355301270 /nfs/dbraw/zinc/30/12/70/355301270.db2.gz WQOUXKULAAZQEB-GFCCVEGCSA-N 2 2 239.319 0.358 20 0 BCADLP CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000639258786 355304063 /nfs/dbraw/zinc/30/40/63/355304063.db2.gz MYTQSUCQZSOGGI-WISYIIOYSA-N 2 2 228.336 0.473 20 0 BCADLP CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000639258786 355304067 /nfs/dbraw/zinc/30/40/67/355304067.db2.gz MYTQSUCQZSOGGI-WISYIIOYSA-N 2 2 228.336 0.473 20 0 BCADLP O=C(NCc1c[nH+]c[nH]1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000335436356 355307702 /nfs/dbraw/zinc/30/77/02/355307702.db2.gz WMYIQXHZAPRNIE-BXKDBHETSA-N 2 2 234.303 0.416 20 0 BCADLP O=C(NCc1c[nH]c[nH+]1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000335436356 355307704 /nfs/dbraw/zinc/30/77/04/355307704.db2.gz WMYIQXHZAPRNIE-BXKDBHETSA-N 2 2 234.303 0.416 20 0 BCADLP C[C@H](C(N)=O)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535572373 355368333 /nfs/dbraw/zinc/36/83/33/355368333.db2.gz BQYPKRXJRBTIAM-SNVBAGLBSA-N 2 2 248.330 0.832 20 0 BCADLP C[C@H](CC[NH3+])NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000349951424 355534425 /nfs/dbraw/zinc/53/44/25/355534425.db2.gz LSLYPVOBPIUTPS-SNVBAGLBSA-N 2 2 246.314 0.730 20 0 BCADLP O[C@@H]1C[N@H+](CCn2cc[nH+]c2)CC12CC2 ZINC000335858777 355603961 /nfs/dbraw/zinc/60/39/61/355603961.db2.gz KHODPCZYXCZNGR-SNVBAGLBSA-N 2 2 207.277 0.340 20 0 BCADLP O[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CC12CC2 ZINC000335858777 355603964 /nfs/dbraw/zinc/60/39/64/355603964.db2.gz KHODPCZYXCZNGR-SNVBAGLBSA-N 2 2 207.277 0.340 20 0 BCADLP NC(=O)[C@@H]1CSCC[N@@H+]1CCn1cc[nH+]c1 ZINC000330646711 181204715 /nfs/dbraw/zinc/20/47/15/181204715.db2.gz IVPOAURCSMMKJX-VIFPVBQESA-N 2 2 240.332 0.836 20 0 BCADLP NC(=O)[C@@H]1CSCC[N@H+]1CCn1cc[nH+]c1 ZINC000330646711 181204716 /nfs/dbraw/zinc/20/47/16/181204716.db2.gz IVPOAURCSMMKJX-VIFPVBQESA-N 2 2 240.332 0.836 20 0 BCADLP CCn1c[nH+]cc1CN1CC[N@H+](C)C[C@H]1CO ZINC000639333009 355761274 /nfs/dbraw/zinc/76/12/74/355761274.db2.gz FFHJHLMOLWVIDE-LBPRGKRZSA-N 2 2 238.335 0.011 20 0 BCADLP CCn1c[nH+]cc1CN1CC[N@@H+](C)C[C@H]1CO ZINC000639333009 355761276 /nfs/dbraw/zinc/76/12/76/355761276.db2.gz FFHJHLMOLWVIDE-LBPRGKRZSA-N 2 2 238.335 0.011 20 0 BCADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CC1(F)F ZINC000639354142 355804181 /nfs/dbraw/zinc/80/41/81/355804181.db2.gz DUBUUOBSJKBAOU-BBBLOLIVSA-N 2 2 234.290 0.686 20 0 BCADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)[C@@H]1CC1(F)F ZINC000639354142 355804183 /nfs/dbraw/zinc/80/41/83/355804183.db2.gz DUBUUOBSJKBAOU-BBBLOLIVSA-N 2 2 234.290 0.686 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+]CCC[C@@H]2CCO2)C1 ZINC000639354307 355805625 /nfs/dbraw/zinc/80/56/25/355805625.db2.gz GMNYIFCWPMNRDA-VXGBXAGGSA-N 2 2 228.336 0.212 20 0 BCADLP O[C@@H]1CC[N@@H+](CC[NH2+]CCC[C@@H]2CCO2)C1 ZINC000639354307 355805629 /nfs/dbraw/zinc/80/56/29/355805629.db2.gz GMNYIFCWPMNRDA-VXGBXAGGSA-N 2 2 228.336 0.212 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+]CC2CCSCC2)C1 ZINC000639355097 355808407 /nfs/dbraw/zinc/80/84/07/355808407.db2.gz OUFBWEFFJRAHMB-GFCCVEGCSA-N 2 2 244.404 0.786 20 0 BCADLP O[C@@H]1CC[N@@H+](CC[NH2+]CC2CCSCC2)C1 ZINC000639355097 355808409 /nfs/dbraw/zinc/80/84/09/355808409.db2.gz OUFBWEFFJRAHMB-GFCCVEGCSA-N 2 2 244.404 0.786 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+]CCC[C@H]2CCO2)C1 ZINC000639356757 355811585 /nfs/dbraw/zinc/81/15/85/355811585.db2.gz GMNYIFCWPMNRDA-RYUDHWBXSA-N 2 2 228.336 0.212 20 0 BCADLP O[C@H]1CC[N@@H+](CC[NH2+]CCC[C@H]2CCO2)C1 ZINC000639356757 355811588 /nfs/dbraw/zinc/81/15/88/355811588.db2.gz GMNYIFCWPMNRDA-RYUDHWBXSA-N 2 2 228.336 0.212 20 0 BCADLP COCCC[N@H+](C)CC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000166733534 355833358 /nfs/dbraw/zinc/83/33/58/355833358.db2.gz MZOAIBSBYQZSKP-QWHCGFSZSA-N 2 2 244.379 0.969 20 0 BCADLP COCCC[N@@H+](C)CC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000166733534 355833360 /nfs/dbraw/zinc/83/33/60/355833360.db2.gz MZOAIBSBYQZSKP-QWHCGFSZSA-N 2 2 244.379 0.969 20 0 BCADLP CC[NH+]1CCC([NH2+]C[C@H](O)C(F)(F)F)CC1 ZINC000166809967 355851365 /nfs/dbraw/zinc/85/13/65/355851365.db2.gz MIWXTHNVHGKYGA-VIFPVBQESA-N 2 2 240.269 0.984 20 0 BCADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn2cccnc2n1 ZINC000216199641 355926413 /nfs/dbraw/zinc/92/64/13/355926413.db2.gz XVVXQKRUCYEDBN-WDEREUQCSA-N 2 2 245.330 0.898 20 0 BCADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn2cccnc2n1 ZINC000216199641 355926417 /nfs/dbraw/zinc/92/64/17/355926417.db2.gz XVVXQKRUCYEDBN-WDEREUQCSA-N 2 2 245.330 0.898 20 0 BCADLP C[C@@H](CO)[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000166905801 355936505 /nfs/dbraw/zinc/93/65/05/355936505.db2.gz WYOPRKQOPJZRJT-UWVGGRQHSA-N 2 2 240.351 0.593 20 0 BCADLP CC(C)[NH2+]CC[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000367119929 355979000 /nfs/dbraw/zinc/97/90/00/355979000.db2.gz COCSFNQLHDLZBN-LLVKDONJSA-N 2 2 239.363 0.775 20 0 BCADLP CCn1c(C)nnc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351480232 355995844 /nfs/dbraw/zinc/99/58/44/355995844.db2.gz UVXFOPNEAGBZSP-TUAOUCFPSA-N 2 2 249.362 0.776 20 0 BCADLP CCn1c(C)nnc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351480232 355995849 /nfs/dbraw/zinc/99/58/49/355995849.db2.gz UVXFOPNEAGBZSP-TUAOUCFPSA-N 2 2 249.362 0.776 20 0 BCADLP CC[C@H]([NH3+])C(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000167156995 355961663 /nfs/dbraw/zinc/96/16/63/355961663.db2.gz YKEAHJKRFKJJFY-ZJUUUORDSA-N 2 2 236.319 0.360 20 0 BCADLP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)CCC[NH3+])C2 ZINC000167158870 355961938 /nfs/dbraw/zinc/96/19/38/355961938.db2.gz KBXUZWOVAHJDBC-SNVBAGLBSA-N 2 2 236.319 0.361 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+](C)CC1(CO)CC1)C1CC1 ZINC000351649023 356045273 /nfs/dbraw/zinc/04/52/73/356045273.db2.gz LVNOCACLPYXICK-GFCCVEGCSA-N 2 2 242.363 0.146 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+](C)CC1(CO)CC1)C1CC1 ZINC000351649023 356045276 /nfs/dbraw/zinc/04/52/76/356045276.db2.gz LVNOCACLPYXICK-GFCCVEGCSA-N 2 2 242.363 0.146 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)CC1(CO)CC1 ZINC000351649023 356045279 /nfs/dbraw/zinc/04/52/79/356045279.db2.gz LVNOCACLPYXICK-GFCCVEGCSA-N 2 2 242.363 0.146 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)CC1(CO)CC1 ZINC000351649023 356045281 /nfs/dbraw/zinc/04/52/81/356045281.db2.gz LVNOCACLPYXICK-GFCCVEGCSA-N 2 2 242.363 0.146 20 0 BCADLP CC[N@H+](CCc1c[nH+]cn1C)CC(=O)N(C)C ZINC000639450212 356234810 /nfs/dbraw/zinc/23/48/10/356234810.db2.gz JTIVEYABJXJUPF-UHFFFAOYSA-N 2 2 238.335 0.373 20 0 BCADLP CC[N@@H+](CCc1c[nH+]cn1C)CC(=O)N(C)C ZINC000639450212 356234814 /nfs/dbraw/zinc/23/48/14/356234814.db2.gz JTIVEYABJXJUPF-UHFFFAOYSA-N 2 2 238.335 0.373 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000420268550 192193127 /nfs/dbraw/zinc/19/31/27/192193127.db2.gz HAIYJRNLGXDVQR-SNVBAGLBSA-N 2 2 213.325 0.278 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000420268550 192193129 /nfs/dbraw/zinc/19/31/29/192193129.db2.gz HAIYJRNLGXDVQR-SNVBAGLBSA-N 2 2 213.325 0.278 20 0 BCADLP CN(c1cc[nH+]c(C2CC2)n1)C1C[NH2+]C1 ZINC000420256683 192188619 /nfs/dbraw/zinc/18/86/19/192188619.db2.gz JAPBMMCJESCDSQ-UHFFFAOYSA-N 2 2 204.277 0.762 20 0 BCADLP CCCCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000420281640 192199390 /nfs/dbraw/zinc/19/93/90/192199390.db2.gz ACSAGEJBGWTUBO-NEPJUHHUSA-N 2 2 241.379 0.962 20 0 BCADLP CCCCCNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000420281640 192199392 /nfs/dbraw/zinc/19/93/92/192199392.db2.gz ACSAGEJBGWTUBO-NEPJUHHUSA-N 2 2 241.379 0.962 20 0 BCADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH+](C)C ZINC000617753345 356312171 /nfs/dbraw/zinc/31/21/71/356312171.db2.gz AOYLXEYBNSQVJN-JTQLQIEISA-N 2 2 224.308 0.340 20 0 BCADLP COCCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767096 356328635 /nfs/dbraw/zinc/32/86/35/356328635.db2.gz GXBDTEABNUBAMP-UHFFFAOYSA-N 2 2 245.367 0.023 20 0 BCADLP COCCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767096 356328637 /nfs/dbraw/zinc/32/86/37/356328637.db2.gz GXBDTEABNUBAMP-UHFFFAOYSA-N 2 2 245.367 0.023 20 0 BCADLP CCOC(=O)CC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000420289972 192202230 /nfs/dbraw/zinc/20/22/30/192202230.db2.gz IRMNJUXPIHNVHU-SNVBAGLBSA-N 2 2 214.309 0.753 20 0 BCADLP CCOC(=O)CC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000420289972 192202234 /nfs/dbraw/zinc/20/22/34/192202234.db2.gz IRMNJUXPIHNVHU-SNVBAGLBSA-N 2 2 214.309 0.753 20 0 BCADLP CCCCNC(=O)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420331059 192214312 /nfs/dbraw/zinc/21/43/12/192214312.db2.gz BKIBRJZZMSWIEY-NEPJUHHUSA-N 2 2 239.363 0.587 20 0 BCADLP CCCCNC(=O)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420331059 192214314 /nfs/dbraw/zinc/21/43/14/192214314.db2.gz BKIBRJZZMSWIEY-NEPJUHHUSA-N 2 2 239.363 0.587 20 0 BCADLP C[NH2+]CC[N@H+](C)CCC(=O)OC(C)C ZINC000420338211 192215784 /nfs/dbraw/zinc/21/57/84/192215784.db2.gz NSVZVJKMEWMXNE-UHFFFAOYSA-N 2 2 202.298 0.479 20 0 BCADLP C[NH2+]CC[N@@H+](C)CCC(=O)OC(C)C ZINC000420338211 192215787 /nfs/dbraw/zinc/21/57/87/192215787.db2.gz NSVZVJKMEWMXNE-UHFFFAOYSA-N 2 2 202.298 0.479 20 0 BCADLP COCCC[N@@H+]1CC[NH2+]C[C@@](C)(F)C1 ZINC000420345463 192216597 /nfs/dbraw/zinc/21/65/97/192216597.db2.gz ZMVMJDXSQKBNJM-SNVBAGLBSA-N 2 2 204.289 0.656 20 0 BCADLP COCCC[N@H+]1CC[NH2+]C[C@@](C)(F)C1 ZINC000420345463 192216598 /nfs/dbraw/zinc/21/65/98/192216598.db2.gz ZMVMJDXSQKBNJM-SNVBAGLBSA-N 2 2 204.289 0.656 20 0 BCADLP C[C@H]1CC[N@H+](CCOCC[NH3+])[C@@H](C[NH3+])C1 ZINC000420344723 192216773 /nfs/dbraw/zinc/21/67/73/192216773.db2.gz UJMONSZXPOQMNJ-WDEREUQCSA-N 3 2 215.341 0.021 20 0 BCADLP C[C@H]1CC[N@@H+](CCOCC[NH3+])[C@@H](C[NH3+])C1 ZINC000420344723 192216774 /nfs/dbraw/zinc/21/67/74/192216774.db2.gz UJMONSZXPOQMNJ-WDEREUQCSA-N 3 2 215.341 0.021 20 0 BCADLP CC(C)CNC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420353010 192217693 /nfs/dbraw/zinc/21/76/93/192217693.db2.gz BENNQMIUYXCNLR-JTQLQIEISA-N 2 2 229.368 0.722 20 0 BCADLP C[C@H]([NH3+])CN1CC[NH+](Cc2cccnc2)CC1 ZINC000420353075 192217808 /nfs/dbraw/zinc/21/78/08/192217808.db2.gz BHFKYPPWZDMYBM-LBPRGKRZSA-N 2 2 234.347 0.546 20 0 BCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCCF)C1 ZINC000420311660 192211518 /nfs/dbraw/zinc/21/15/18/192211518.db2.gz RBTNFOJBCYZWGM-NSHDSACASA-N 2 2 243.326 0.242 20 0 BCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCCF)C1 ZINC000420311660 192211521 /nfs/dbraw/zinc/21/15/21/192211521.db2.gz RBTNFOJBCYZWGM-NSHDSACASA-N 2 2 243.326 0.242 20 0 BCADLP C[N@H+](CCN1CCCC1=O)C1(C[NH3+])CCC1 ZINC000420321626 192227742 /nfs/dbraw/zinc/22/77/42/192227742.db2.gz DDFPDTINCMFAHD-UHFFFAOYSA-N 2 2 225.336 0.422 20 0 BCADLP C[N@@H+](CCN1CCCC1=O)C1(C[NH3+])CCC1 ZINC000420321626 192227744 /nfs/dbraw/zinc/22/77/44/192227744.db2.gz DDFPDTINCMFAHD-UHFFFAOYSA-N 2 2 225.336 0.422 20 0 BCADLP CC[NH+](CC)CC(=O)NC1C[NH+](C(C)C)C1 ZINC000352197536 134099136 /nfs/dbraw/zinc/09/91/36/134099136.db2.gz UBSJXKBXEQCEAY-UHFFFAOYSA-N 2 2 227.352 0.537 20 0 BCADLP CCCNC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420361726 192221968 /nfs/dbraw/zinc/22/19/68/192221968.db2.gz IHUNUCHZEJVVJR-WISYIIOYSA-N 2 2 241.379 0.877 20 0 BCADLP CCOC(=O)[C@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000420361968 192222389 /nfs/dbraw/zinc/22/23/89/192222389.db2.gz NVCKJIRKLOHYKY-UWVGGRQHSA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)[C@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000420361968 192222392 /nfs/dbraw/zinc/22/23/92/192222392.db2.gz NVCKJIRKLOHYKY-UWVGGRQHSA-N 2 2 214.309 0.609 20 0 BCADLP CCCN1CCC[N@H+](CCC[NH2+]C)CC1=O ZINC000420365535 192224513 /nfs/dbraw/zinc/22/45/13/192224513.db2.gz DYLXAFCMKMNEHP-UHFFFAOYSA-N 2 2 227.352 0.540 20 0 BCADLP CCCN1CCC[N@@H+](CCC[NH2+]C)CC1=O ZINC000420365535 192224514 /nfs/dbraw/zinc/22/45/14/192224514.db2.gz DYLXAFCMKMNEHP-UHFFFAOYSA-N 2 2 227.352 0.540 20 0 BCADLP CC(C)N(C)C(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420365487 192224565 /nfs/dbraw/zinc/22/45/65/192224565.db2.gz QCQZBBIEUJMXPF-JTQLQIEISA-N 2 2 229.368 0.816 20 0 BCADLP C[NH2+]CCC[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000420367580 192225609 /nfs/dbraw/zinc/22/56/09/192225609.db2.gz HCGCFFWDQCBMDJ-QJPTWQEYSA-N 2 2 240.347 0.869 20 0 BCADLP C[NH2+]CCC[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000420367580 192225611 /nfs/dbraw/zinc/22/56/11/192225611.db2.gz HCGCFFWDQCBMDJ-QJPTWQEYSA-N 2 2 240.347 0.869 20 0 BCADLP CCCNC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420387901 192234841 /nfs/dbraw/zinc/23/48/41/192234841.db2.gz WIVFXTWAVNKWQB-ZDUSSCGKSA-N 2 2 239.363 0.588 20 0 BCADLP CCCNC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420387901 192234844 /nfs/dbraw/zinc/23/48/44/192234844.db2.gz WIVFXTWAVNKWQB-ZDUSSCGKSA-N 2 2 239.363 0.588 20 0 BCADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)N(C)C(C)C ZINC000420388760 192235377 /nfs/dbraw/zinc/23/53/77/192235377.db2.gz MOCDVFGGIRRPKW-NSHDSACASA-N 2 2 229.368 0.783 20 0 BCADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)N(C)C(C)C ZINC000420388760 192235379 /nfs/dbraw/zinc/23/53/79/192235379.db2.gz MOCDVFGGIRRPKW-NSHDSACASA-N 2 2 229.368 0.783 20 0 BCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)NCC1CC1 ZINC000420379693 192233971 /nfs/dbraw/zinc/23/39/71/192233971.db2.gz XYMVQTCSACJQMJ-GBIKHYSHSA-N 2 2 239.363 0.489 20 0 BCADLP CC[C@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@H]1O ZINC000639554572 356456338 /nfs/dbraw/zinc/45/63/38/356456338.db2.gz LIWKAELTFPHAHU-CMPLNLGQSA-N 2 2 223.320 0.665 20 0 BCADLP CC[C@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@H]1O ZINC000639554572 356456341 /nfs/dbraw/zinc/45/63/41/356456341.db2.gz LIWKAELTFPHAHU-CMPLNLGQSA-N 2 2 223.320 0.665 20 0 BCADLP C[C@H]1C[C@H](O)C[N@@H+]1CCc1c[nH+]cn1C ZINC000639551699 356436920 /nfs/dbraw/zinc/43/69/20/356436920.db2.gz NBCSTGRJLJCKFJ-ONGXEEELSA-N 2 2 209.293 0.418 20 0 BCADLP C[C@H]1C[C@H](O)C[N@H+]1CCc1c[nH+]cn1C ZINC000639551699 356436924 /nfs/dbraw/zinc/43/69/24/356436924.db2.gz NBCSTGRJLJCKFJ-ONGXEEELSA-N 2 2 209.293 0.418 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)CC1(O)CCC1 ZINC000639583570 356506090 /nfs/dbraw/zinc/50/60/90/356506090.db2.gz NYPZRZVNZLOCLG-UHFFFAOYSA-N 2 2 223.320 0.809 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)CC1(O)CCC1 ZINC000639583570 356506095 /nfs/dbraw/zinc/50/60/95/356506095.db2.gz NYPZRZVNZLOCLG-UHFFFAOYSA-N 2 2 223.320 0.809 20 0 BCADLP C[C@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@@H](CO)O1 ZINC000639607300 356522460 /nfs/dbraw/zinc/52/24/60/356522460.db2.gz RJODOVKBKGTTCY-JQWIXIFHSA-N 2 2 239.319 0.044 20 0 BCADLP C[C@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@@H](CO)O1 ZINC000639607300 356522465 /nfs/dbraw/zinc/52/24/65/356522465.db2.gz RJODOVKBKGTTCY-JQWIXIFHSA-N 2 2 239.319 0.044 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000639622496 356542158 /nfs/dbraw/zinc/54/21/58/356542158.db2.gz HSEFRJNMDPUBME-VXGBXAGGSA-N 2 2 248.330 0.173 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000639622496 356542160 /nfs/dbraw/zinc/54/21/60/356542160.db2.gz HSEFRJNMDPUBME-VXGBXAGGSA-N 2 2 248.330 0.173 20 0 BCADLP CC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000639655092 356559532 /nfs/dbraw/zinc/55/95/32/356559532.db2.gz IPXFVEFHSPJYKY-GFCCVEGCSA-N 2 2 210.321 0.993 20 0 BCADLP CC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000639655092 356559534 /nfs/dbraw/zinc/55/95/34/356559534.db2.gz IPXFVEFHSPJYKY-GFCCVEGCSA-N 2 2 210.321 0.993 20 0 BCADLP CC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000639655092 356559537 /nfs/dbraw/zinc/55/95/37/356559537.db2.gz IPXFVEFHSPJYKY-GFCCVEGCSA-N 2 2 210.321 0.993 20 0 BCADLP CC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000639655092 356559538 /nfs/dbraw/zinc/55/95/38/356559538.db2.gz IPXFVEFHSPJYKY-GFCCVEGCSA-N 2 2 210.321 0.993 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](O)CC1 ZINC000639659410 356568682 /nfs/dbraw/zinc/56/86/82/356568682.db2.gz OAWKSJYHOKXVHL-GFCCVEGCSA-N 2 2 223.320 0.809 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](O)CC1 ZINC000639659410 356568685 /nfs/dbraw/zinc/56/86/85/356568685.db2.gz OAWKSJYHOKXVHL-GFCCVEGCSA-N 2 2 223.320 0.809 20 0 BCADLP Cn1c[nH+]cc1CCN1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000639652898 356563496 /nfs/dbraw/zinc/56/34/96/356563496.db2.gz OYURARCCXSCKIX-DGCLKSJQSA-N 2 2 234.347 0.599 20 0 BCADLP Cn1c[nH+]cc1CCN1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000639652898 356563500 /nfs/dbraw/zinc/56/35/00/356563500.db2.gz OYURARCCXSCKIX-DGCLKSJQSA-N 2 2 234.347 0.599 20 0 BCADLP Cn1c[nH+]cc1CCN1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000639652897 356564190 /nfs/dbraw/zinc/56/41/90/356564190.db2.gz OYURARCCXSCKIX-AAEUAGOBSA-N 2 2 234.347 0.599 20 0 BCADLP Cn1c[nH+]cc1CCN1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000639652897 356564191 /nfs/dbraw/zinc/56/41/91/356564191.db2.gz OYURARCCXSCKIX-AAEUAGOBSA-N 2 2 234.347 0.599 20 0 BCADLP C[C@H](O)[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CCO1 ZINC000639674138 356590492 /nfs/dbraw/zinc/59/04/92/356590492.db2.gz QZWUWHXJOSKNCV-JQWIXIFHSA-N 2 2 239.319 0.044 20 0 BCADLP C[C@H](O)[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CCO1 ZINC000639674138 356590494 /nfs/dbraw/zinc/59/04/94/356590494.db2.gz QZWUWHXJOSKNCV-JQWIXIFHSA-N 2 2 239.319 0.044 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)[C@@H](C)OC ZINC000380320601 538466373 /nfs/dbraw/zinc/46/63/73/538466373.db2.gz KJEHESJBFNAKSC-WDEREUQCSA-N 2 2 218.341 0.314 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)[C@@H](C)OC ZINC000380320601 538466375 /nfs/dbraw/zinc/46/63/75/538466375.db2.gz KJEHESJBFNAKSC-WDEREUQCSA-N 2 2 218.341 0.314 20 0 BCADLP CC(C)(C)NC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088288199 356656280 /nfs/dbraw/zinc/65/62/80/356656280.db2.gz RMQBIVRXIAVZMG-NXEZZACHSA-N 2 2 225.336 0.052 20 0 BCADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)C(=O)NCCF ZINC000423116766 192573812 /nfs/dbraw/zinc/57/38/12/192573812.db2.gz RLLLHZCWECUNLI-HBNTYKKESA-N 2 2 245.342 0.581 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167790115 134154264 /nfs/dbraw/zinc/15/42/64/134154264.db2.gz AGXJFKTVJGIHBH-NEPJUHHUSA-N 2 2 241.379 0.675 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167790115 134154265 /nfs/dbraw/zinc/15/42/65/134154265.db2.gz AGXJFKTVJGIHBH-NEPJUHHUSA-N 2 2 241.379 0.675 20 0 BCADLP O=C(CC[C@@H]1CCC[NH2+]C1)NCc1c[nH+]c[nH]1 ZINC000088751022 356807431 /nfs/dbraw/zinc/80/74/31/356807431.db2.gz ROWNHHNNVMEROI-JTQLQIEISA-N 2 2 236.319 0.806 20 0 BCADLP O=C(CC[C@@H]1CCC[NH2+]C1)NCc1c[nH]c[nH+]1 ZINC000088751022 356807434 /nfs/dbraw/zinc/80/74/34/356807434.db2.gz ROWNHHNNVMEROI-JTQLQIEISA-N 2 2 236.319 0.806 20 0 BCADLP C[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000623759007 356821433 /nfs/dbraw/zinc/82/14/33/356821433.db2.gz WLHFDNKVLFMRQZ-IJLUTSLNSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000623759007 356821434 /nfs/dbraw/zinc/82/14/34/356821434.db2.gz WLHFDNKVLFMRQZ-IJLUTSLNSA-N 2 2 212.337 0.831 20 0 BCADLP CC[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CCO1 ZINC000623759633 356877843 /nfs/dbraw/zinc/87/78/43/356877843.db2.gz UJEUSZPSEMUVSU-JHJVBQTASA-N 2 2 242.363 0.600 20 0 BCADLP CC[C@@H]1C[C@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)CCO1 ZINC000623759633 356877844 /nfs/dbraw/zinc/87/78/44/356877844.db2.gz UJEUSZPSEMUVSU-JHJVBQTASA-N 2 2 242.363 0.600 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]1C1CC1 ZINC000582431068 357147741 /nfs/dbraw/zinc/14/77/41/357147741.db2.gz RDRUFBLOLQPGFY-STQMWFEESA-N 2 2 242.363 0.410 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]1C1CC1 ZINC000582431068 357147744 /nfs/dbraw/zinc/14/77/44/357147744.db2.gz RDRUFBLOLQPGFY-STQMWFEESA-N 2 2 242.363 0.410 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]1C1CC1 ZINC000582431068 357147750 /nfs/dbraw/zinc/14/77/50/357147750.db2.gz RDRUFBLOLQPGFY-STQMWFEESA-N 2 2 242.363 0.410 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]1C1CC1 ZINC000582431068 357147756 /nfs/dbraw/zinc/14/77/56/357147756.db2.gz RDRUFBLOLQPGFY-STQMWFEESA-N 2 2 242.363 0.410 20 0 BCADLP Cc1nc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)n[nH]1 ZINC000392383411 357150710 /nfs/dbraw/zinc/15/07/10/357150710.db2.gz HCUPISVDBBGHCA-KOLCDFICSA-N 2 2 237.351 0.585 20 0 BCADLP Cc1nc(CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)n[nH]1 ZINC000392383411 357150715 /nfs/dbraw/zinc/15/07/15/357150715.db2.gz HCUPISVDBBGHCA-KOLCDFICSA-N 2 2 237.351 0.585 20 0 BCADLP Cc1nnc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)[nH]1 ZINC000392383411 357150719 /nfs/dbraw/zinc/15/07/19/357150719.db2.gz HCUPISVDBBGHCA-KOLCDFICSA-N 2 2 237.351 0.585 20 0 BCADLP Cc1nnc(CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)[nH]1 ZINC000392383411 357150724 /nfs/dbraw/zinc/15/07/24/357150724.db2.gz HCUPISVDBBGHCA-KOLCDFICSA-N 2 2 237.351 0.585 20 0 BCADLP CCc1nnc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)[nH]1 ZINC000392482701 357153455 /nfs/dbraw/zinc/15/34/55/357153455.db2.gz ZHIOWMFGBWUZRK-BDAKNGLRSA-N 2 2 223.324 0.727 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC2(CO)CC2)C[N@@H+]1C1CC1 ZINC000157107255 538809029 /nfs/dbraw/zinc/80/90/29/538809029.db2.gz RPQMAUPILSZKKM-GHMZBOCLSA-N 2 2 224.348 0.974 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC2(CO)CC2)C[N@H+]1C1CC1 ZINC000157107255 538809035 /nfs/dbraw/zinc/80/90/35/538809035.db2.gz RPQMAUPILSZKKM-GHMZBOCLSA-N 2 2 224.348 0.974 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CC2(CO)CC2)C[N@@H+]1C1CC1 ZINC000157107402 538809708 /nfs/dbraw/zinc/80/97/08/538809708.db2.gz RPQMAUPILSZKKM-WDEREUQCSA-N 2 2 224.348 0.974 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CC2(CO)CC2)C[N@H+]1C1CC1 ZINC000157107402 538809719 /nfs/dbraw/zinc/80/97/19/538809719.db2.gz RPQMAUPILSZKKM-WDEREUQCSA-N 2 2 224.348 0.974 20 0 BCADLP CCn1cc[nH+]c1CN1CC[NH2+]C[C@@H]1C(F)F ZINC000582487174 357318561 /nfs/dbraw/zinc/31/85/61/357318561.db2.gz YIAARMCVEKODHT-SECBINFHSA-N 2 2 244.289 0.942 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H](C)C[S@](C)=O)n1C ZINC000582675809 357361225 /nfs/dbraw/zinc/36/12/25/357361225.db2.gz ACZYXYINNXXVKJ-AYVTZFPOSA-N 2 2 229.349 0.585 20 0 BCADLP C[C@@H]([NH2+]C1CC1)C(=O)N(C)Cc1[nH+]ccn1C ZINC000394947898 357400516 /nfs/dbraw/zinc/40/05/16/357400516.db2.gz IQXBJJLSFMDLHG-SECBINFHSA-N 2 2 236.319 0.519 20 0 BCADLP CO[C@@H]1COC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000582962526 357439587 /nfs/dbraw/zinc/43/95/87/357439587.db2.gz NMHMVFPYCJVLAS-GHMZBOCLSA-N 2 2 225.292 0.277 20 0 BCADLP C[NH2+]Cc1noc([C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000583203846 357518869 /nfs/dbraw/zinc/51/88/69/357518869.db2.gz WMXLVMSPTAXZPT-SFYZADRCSA-N 2 2 210.281 0.774 20 0 BCADLP C[C@@H](CC(=O)N(C)CC[NH+](C)C)n1cc[nH+]c1 ZINC000583207967 357520266 /nfs/dbraw/zinc/52/02/66/357520266.db2.gz RUCWWPAPFQOCRH-NSHDSACASA-N 2 2 238.335 0.854 20 0 BCADLP C[C@H](CC(=O)N(C)[C@H]1CC[NH2+]C1)n1cc[nH+]c1 ZINC000583211134 357542391 /nfs/dbraw/zinc/54/23/91/357542391.db2.gz ORYCQQFSAZICNS-MNOVXSKESA-N 2 2 236.319 0.655 20 0 BCADLP C[C@H]1C(=O)NCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000189315256 357631285 /nfs/dbraw/zinc/63/12/85/357631285.db2.gz HPXMHOFNQPLVPP-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP CN1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)CC1=O ZINC000191083191 357748455 /nfs/dbraw/zinc/74/84/55/357748455.db2.gz NCXARPKDWMNAJD-LBPRGKRZSA-N 2 2 239.363 0.635 20 0 BCADLP CN1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)CC1=O ZINC000191083191 357748461 /nfs/dbraw/zinc/74/84/61/357748461.db2.gz NCXARPKDWMNAJD-LBPRGKRZSA-N 2 2 239.363 0.635 20 0 BCADLP CN1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1=O ZINC000191083191 357748464 /nfs/dbraw/zinc/74/84/64/357748464.db2.gz NCXARPKDWMNAJD-LBPRGKRZSA-N 2 2 239.363 0.635 20 0 BCADLP CN1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1=O ZINC000191083191 357748468 /nfs/dbraw/zinc/74/84/68/357748468.db2.gz NCXARPKDWMNAJD-LBPRGKRZSA-N 2 2 239.363 0.635 20 0 BCADLP CC[N@H+](CC[C@H]1CCC[NH+]1C)CC(N)=O ZINC000191725588 357791923 /nfs/dbraw/zinc/79/19/23/357791923.db2.gz MEQGMJWABODJIL-SNVBAGLBSA-N 2 2 213.325 0.278 20 0 BCADLP CC[N@@H+](CC[C@H]1CCC[NH+]1C)CC(N)=O ZINC000191725588 357791928 /nfs/dbraw/zinc/79/19/28/357791928.db2.gz MEQGMJWABODJIL-SNVBAGLBSA-N 2 2 213.325 0.278 20 0 BCADLP CC[NH+](CC[C@H]1CCC[N@@H+]1C)CC(N)=O ZINC000191725588 357791931 /nfs/dbraw/zinc/79/19/31/357791931.db2.gz MEQGMJWABODJIL-SNVBAGLBSA-N 2 2 213.325 0.278 20 0 BCADLP CC[NH+](CC[C@H]1CCC[N@H+]1C)CC(N)=O ZINC000191725588 357791936 /nfs/dbraw/zinc/79/19/36/357791936.db2.gz MEQGMJWABODJIL-SNVBAGLBSA-N 2 2 213.325 0.278 20 0 BCADLP COC(=O)CCC[N@@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000234516087 357811204 /nfs/dbraw/zinc/81/12/04/357811204.db2.gz AKZFYMNZLMSEDE-WDEREUQCSA-N 2 2 228.336 0.999 20 0 BCADLP COC(=O)CCC[N@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000234516087 357811207 /nfs/dbraw/zinc/81/12/07/357811207.db2.gz AKZFYMNZLMSEDE-WDEREUQCSA-N 2 2 228.336 0.999 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)C(F)F)n1C ZINC000234288641 357779808 /nfs/dbraw/zinc/77/98/08/357779808.db2.gz CTLKUCYWKUULOM-MRVPVSSYSA-N 2 2 248.277 0.202 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C1CCC(O)CC1 ZINC000234341876 357788950 /nfs/dbraw/zinc/78/89/50/357788950.db2.gz LZDZXMCTOQMSJP-CPCZMJQVSA-N 2 2 241.379 0.125 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C1CCC(O)CC1 ZINC000234341876 357788953 /nfs/dbraw/zinc/78/89/53/357788953.db2.gz LZDZXMCTOQMSJP-CPCZMJQVSA-N 2 2 241.379 0.125 20 0 BCADLP COCC[NH2+]CC(=O)Nc1cc[nH+]c(C)c1 ZINC000086158447 357864316 /nfs/dbraw/zinc/86/43/16/357864316.db2.gz PJSNJBVABRBTQR-UHFFFAOYSA-N 2 2 223.276 0.565 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]([NH3+])C1CCC1 ZINC000399178940 357897848 /nfs/dbraw/zinc/89/78/48/357897848.db2.gz KWJLSBGCXWXDNJ-GXSJLCMTSA-N 2 2 236.319 0.515 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000583813093 357959985 /nfs/dbraw/zinc/95/99/85/357959985.db2.gz TYFUMGFCOWEALT-NSHDSACASA-N 2 2 228.336 0.463 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000583813093 357959989 /nfs/dbraw/zinc/95/99/89/357959989.db2.gz TYFUMGFCOWEALT-NSHDSACASA-N 2 2 228.336 0.463 20 0 BCADLP C[C@@H](CC(=O)N1CC[C@@H]([NH3+])C1)n1cc[nH+]c1 ZINC000583760394 357936776 /nfs/dbraw/zinc/93/67/76/357936776.db2.gz TZDWBYKTPZFWEH-VHSXEESVSA-N 2 2 222.292 0.394 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000583813092 357959842 /nfs/dbraw/zinc/95/98/42/357959842.db2.gz TYFUMGFCOWEALT-LLVKDONJSA-N 2 2 228.336 0.463 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000583813092 357959844 /nfs/dbraw/zinc/95/98/44/357959844.db2.gz TYFUMGFCOWEALT-LLVKDONJSA-N 2 2 228.336 0.463 20 0 BCADLP Cc1[nH+]cc(C[N@H+](C)C[C@H](O)C2CC2)n1C ZINC000668166828 491117932 /nfs/dbraw/zinc/11/79/32/491117932.db2.gz JDQDTEYLCLWQRY-LBPRGKRZSA-N 2 2 223.320 0.931 20 0 BCADLP Cc1[nH+]cc(C[N@@H+](C)C[C@H](O)C2CC2)n1C ZINC000668166828 491117933 /nfs/dbraw/zinc/11/79/33/491117933.db2.gz JDQDTEYLCLWQRY-LBPRGKRZSA-N 2 2 223.320 0.931 20 0 BCADLP CC(C)n1ncnc1C[N@H+](C)CCOCC[NH3+] ZINC000383125350 358040289 /nfs/dbraw/zinc/04/02/89/358040289.db2.gz GAKMENJEWZXPBB-UHFFFAOYSA-N 2 2 241.339 0.266 20 0 BCADLP CC(C)n1ncnc1C[N@@H+](C)CCOCC[NH3+] ZINC000383125350 358040294 /nfs/dbraw/zinc/04/02/94/358040294.db2.gz GAKMENJEWZXPBB-UHFFFAOYSA-N 2 2 241.339 0.266 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]Cc2cn[nH]c2)CC[N@@H+]1C ZINC000090720562 363596199 /nfs/dbraw/zinc/59/61/99/363596199.db2.gz IBECXNCORDBSED-ONGXEEELSA-N 2 2 208.309 0.982 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]Cc2cn[nH]c2)CC[N@H+]1C ZINC000090720562 363596201 /nfs/dbraw/zinc/59/62/01/363596201.db2.gz IBECXNCORDBSED-ONGXEEELSA-N 2 2 208.309 0.982 20 0 BCADLP C[C@@H]([NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000169809075 134251846 /nfs/dbraw/zinc/25/18/46/134251846.db2.gz HGPFPQFQUCLDOE-BDAKNGLRSA-N 2 2 222.292 0.463 20 0 BCADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccn(C)n1 ZINC000584577362 358092738 /nfs/dbraw/zinc/09/27/38/358092738.db2.gz AEGUHQQWDRDSRQ-LLVKDONJSA-N 2 2 210.325 0.883 20 0 BCADLP NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000041029236 181295136 /nfs/dbraw/zinc/29/51/36/181295136.db2.gz NSNMCTKMRYJEGR-GFCCVEGCSA-N 2 2 233.315 0.709 20 0 BCADLP NC(=O)c1ccc(C[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000041029236 181295140 /nfs/dbraw/zinc/29/51/40/181295140.db2.gz NSNMCTKMRYJEGR-GFCCVEGCSA-N 2 2 233.315 0.709 20 0 BCADLP C[C@H]([NH3+])CCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000584589113 358103002 /nfs/dbraw/zinc/10/30/02/358103002.db2.gz ZARNILVDTMXNPG-NSHDSACASA-N 2 2 238.335 0.859 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000584598444 358112372 /nfs/dbraw/zinc/11/23/72/358112372.db2.gz ISBKWLXINAYNDT-STQMWFEESA-N 3 2 240.395 0.093 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000584598444 358112375 /nfs/dbraw/zinc/11/23/75/358112375.db2.gz ISBKWLXINAYNDT-STQMWFEESA-N 3 2 240.395 0.093 20 0 BCADLP COc1ccncc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000380566128 358134789 /nfs/dbraw/zinc/13/47/89/358134789.db2.gz NKBYCVKYTTUVMA-JTQLQIEISA-N 2 2 221.304 0.871 20 0 BCADLP COc1ccncc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000380566128 358134792 /nfs/dbraw/zinc/13/47/92/358134792.db2.gz NKBYCVKYTTUVMA-JTQLQIEISA-N 2 2 221.304 0.871 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H](C)[C@@H](C)CO)n1C ZINC000584733026 358164638 /nfs/dbraw/zinc/16/46/38/358164638.db2.gz WDWMMEKAHXYLLW-DTWKUNHWSA-N 2 2 211.309 0.835 20 0 BCADLP C[NH2+]C[C@H](C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000086067170 358200454 /nfs/dbraw/zinc/20/04/54/358200454.db2.gz QMVVRFDIEMONBA-VIFPVBQESA-N 2 2 224.308 0.234 20 0 BCADLP C[N@@H+]1CCN(C[C@@H]2CCSC2)[C@@H](C[NH3+])C1 ZINC000224620311 358235956 /nfs/dbraw/zinc/23/59/56/358235956.db2.gz XUUSDPJCDAETBT-QWRGUYRKSA-N 2 2 229.393 0.314 20 0 BCADLP C[N@H+]1CCN(C[C@@H]2CCSC2)[C@@H](C[NH3+])C1 ZINC000224620311 358235958 /nfs/dbraw/zinc/23/59/58/358235958.db2.gz XUUSDPJCDAETBT-QWRGUYRKSA-N 2 2 229.393 0.314 20 0 BCADLP O=C(CC[NH2+]C1CC1)NCCn1cc[nH+]c1 ZINC000041051028 358241254 /nfs/dbraw/zinc/24/12/54/358241254.db2.gz ANHQEVOZSLFSNL-UHFFFAOYSA-N 2 2 222.292 0.141 20 0 BCADLP [NH3+]Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000224981690 358243713 /nfs/dbraw/zinc/24/37/13/358243713.db2.gz CLAKPVPDKGRDNB-GFCCVEGCSA-N 3 2 205.305 0.597 20 0 BCADLP CC(C)OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000226043525 358333304 /nfs/dbraw/zinc/33/33/04/358333304.db2.gz DJCCPKVNGUOMML-NWDGAFQWSA-N 2 2 230.352 0.456 20 0 BCADLP CC(C)OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000226043525 358333306 /nfs/dbraw/zinc/33/33/06/358333306.db2.gz DJCCPKVNGUOMML-NWDGAFQWSA-N 2 2 230.352 0.456 20 0 BCADLP CCOC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000226049222 358332856 /nfs/dbraw/zinc/33/28/56/358332856.db2.gz MPCZQBGWZNPUAQ-WDEREUQCSA-N 2 2 216.325 0.068 20 0 BCADLP CCOC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000226049222 358332859 /nfs/dbraw/zinc/33/28/59/358332859.db2.gz MPCZQBGWZNPUAQ-WDEREUQCSA-N 2 2 216.325 0.068 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)n1C ZINC000578207176 366392100 /nfs/dbraw/zinc/39/21/00/366392100.db2.gz NCSHQKSEEOLAJW-BXKDBHETSA-N 2 2 239.319 0.358 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCNC2=O)n1C ZINC000578207495 366392252 /nfs/dbraw/zinc/39/22/52/366392252.db2.gz ZIROXQAYRFGBCK-JTQLQIEISA-N 2 2 222.292 0.097 20 0 BCADLP C[N@@H+]1CCN(Cc2ccccn2)[C@@H](C[NH3+])C1 ZINC000226614211 358341511 /nfs/dbraw/zinc/34/15/11/358341511.db2.gz RUADEJGWKJJJSA-LBPRGKRZSA-N 2 2 220.320 0.156 20 0 BCADLP C[N@H+]1CCN(Cc2ccccn2)[C@@H](C[NH3+])C1 ZINC000226614211 358341515 /nfs/dbraw/zinc/34/15/15/358341515.db2.gz RUADEJGWKJJJSA-LBPRGKRZSA-N 2 2 220.320 0.156 20 0 BCADLP NC(=O)CC[NH2+]CCCCn1cc[nH+]c1 ZINC000045106947 358400576 /nfs/dbraw/zinc/40/05/76/358400576.db2.gz NCHXJESUQROOBR-UHFFFAOYSA-N 2 2 210.281 0.128 20 0 BCADLP O=C(C[NH2+]C1CC1)NCCCCn1cc[nH+]c1 ZINC000045109220 358401568 /nfs/dbraw/zinc/40/15/68/358401568.db2.gz FWFZGDZGWGUDOX-UHFFFAOYSA-N 2 2 236.319 0.532 20 0 BCADLP C[C@H](C[NH3+])C(=O)NCCCCn1cc[nH+]c1 ZINC000045108005 358401588 /nfs/dbraw/zinc/40/15/88/358401588.db2.gz FPCRIPYLONBGSO-SNVBAGLBSA-N 2 2 224.308 0.374 20 0 BCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1CCCC1 ZINC000180419271 366450694 /nfs/dbraw/zinc/45/06/94/366450694.db2.gz GZXUYCWZCQSKBR-UHFFFAOYSA-N 2 2 239.363 0.635 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000049068336 358669041 /nfs/dbraw/zinc/66/90/41/358669041.db2.gz CAGRGXCLXSKELT-CYBMUJFWSA-N 2 2 247.342 0.969 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000049068336 358669045 /nfs/dbraw/zinc/66/90/45/358669045.db2.gz CAGRGXCLXSKELT-CYBMUJFWSA-N 2 2 247.342 0.969 20 0 BCADLP C[N@H+](CCC[NH3+])CC(=O)NCc1cccs1 ZINC000133227476 358749104 /nfs/dbraw/zinc/74/91/04/358749104.db2.gz NXTIKRHLPFLQFQ-UHFFFAOYSA-N 2 2 241.360 0.645 20 0 BCADLP C[N@@H+](CCC[NH3+])CC(=O)NCc1cccs1 ZINC000133227476 358749106 /nfs/dbraw/zinc/74/91/06/358749106.db2.gz NXTIKRHLPFLQFQ-UHFFFAOYSA-N 2 2 241.360 0.645 20 0 BCADLP CCCNC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000133300590 358750928 /nfs/dbraw/zinc/75/09/28/358750928.db2.gz BXMLTDYJIIRRFJ-LLVKDONJSA-N 2 2 229.368 0.818 20 0 BCADLP CCCNC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000133300590 358750930 /nfs/dbraw/zinc/75/09/30/358750930.db2.gz BXMLTDYJIIRRFJ-LLVKDONJSA-N 2 2 229.368 0.818 20 0 BCADLP CCOC[C@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000133452017 358755081 /nfs/dbraw/zinc/75/50/81/358755081.db2.gz MEEJOZSAYKENNF-RYUDHWBXSA-N 2 2 229.368 0.247 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000132188224 358709667 /nfs/dbraw/zinc/70/96/67/358709667.db2.gz WUISKVJWYRLGLC-DCAQKATOSA-N 2 2 227.352 0.441 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000132188224 358709669 /nfs/dbraw/zinc/70/96/69/358709669.db2.gz WUISKVJWYRLGLC-DCAQKATOSA-N 2 2 227.352 0.441 20 0 BCADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000133914611 358772425 /nfs/dbraw/zinc/77/24/25/358772425.db2.gz NYWPMZZRILMBFW-JHJVBQTASA-N 3 2 243.395 0.683 20 0 BCADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000133914210 358772490 /nfs/dbraw/zinc/77/24/90/358772490.db2.gz NYWPMZZRILMBFW-FRRDWIJNSA-N 3 2 243.395 0.683 20 0 BCADLP CC[C@@H](CCO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000134348809 358787718 /nfs/dbraw/zinc/78/77/18/358787718.db2.gz QABCDNQVTHPRHM-JTQLQIEISA-N 2 2 240.351 0.737 20 0 BCADLP CCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177147585 134295919 /nfs/dbraw/zinc/29/59/19/134295919.db2.gz CJDVIXREKVWCLG-UHFFFAOYSA-N 2 2 227.352 0.539 20 0 BCADLP C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000086402731 358966591 /nfs/dbraw/zinc/96/65/91/358966591.db2.gz OATUVQZPPOPFEH-PWSUYJOCSA-N 3 2 211.353 0.940 20 0 BCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCO ZINC000177331657 134299335 /nfs/dbraw/zinc/29/93/35/134299335.db2.gz BEJAFBSUTGICAH-NEPJUHHUSA-N 2 2 212.337 0.927 20 0 BCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCO ZINC000177331657 134299336 /nfs/dbraw/zinc/29/93/36/134299336.db2.gz BEJAFBSUTGICAH-NEPJUHHUSA-N 2 2 212.337 0.927 20 0 BCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC000177331657 134299337 /nfs/dbraw/zinc/29/93/37/134299337.db2.gz BEJAFBSUTGICAH-NEPJUHHUSA-N 2 2 212.337 0.927 20 0 BCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCO ZINC000177331657 134299338 /nfs/dbraw/zinc/29/93/38/134299338.db2.gz BEJAFBSUTGICAH-NEPJUHHUSA-N 2 2 212.337 0.927 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2CCCO2)n1C ZINC000070142676 359043034 /nfs/dbraw/zinc/04/30/34/359043034.db2.gz VPCOSVDHYUDXMY-NSHDSACASA-N 2 2 238.335 0.755 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000309662049 358989094 /nfs/dbraw/zinc/98/90/94/358989094.db2.gz YFPLGOPYURXNFR-NEPJUHHUSA-N 3 2 211.353 0.527 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000309662049 358989100 /nfs/dbraw/zinc/98/91/00/358989100.db2.gz YFPLGOPYURXNFR-NEPJUHHUSA-N 3 2 211.353 0.527 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718104 359088693 /nfs/dbraw/zinc/08/86/93/359088693.db2.gz JCCDXSBWJWATPO-NWDGAFQWSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718104 359088699 /nfs/dbraw/zinc/08/86/99/359088699.db2.gz JCCDXSBWJWATPO-NWDGAFQWSA-N 2 2 239.363 0.668 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000072858320 359091371 /nfs/dbraw/zinc/09/13/71/359091371.db2.gz CLRAZHWDGWTNLS-LBPRGKRZSA-N 2 2 241.379 0.786 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000072858320 359091374 /nfs/dbraw/zinc/09/13/74/359091374.db2.gz CLRAZHWDGWTNLS-LBPRGKRZSA-N 2 2 241.379 0.786 20 0 BCADLP CCCNC(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000072858320 359091379 /nfs/dbraw/zinc/09/13/79/359091379.db2.gz CLRAZHWDGWTNLS-LBPRGKRZSA-N 2 2 241.379 0.786 20 0 BCADLP CCCNC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000072858320 359091381 /nfs/dbraw/zinc/09/13/81/359091381.db2.gz CLRAZHWDGWTNLS-LBPRGKRZSA-N 2 2 241.379 0.786 20 0 BCADLP C[C@]1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CCC[NH2+]C1 ZINC000423346143 192723513 /nfs/dbraw/zinc/72/35/13/192723513.db2.gz PSOLDYSKEYLOOT-SRVKXCTJSA-N 3 2 211.353 0.846 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC000247382996 359217060 /nfs/dbraw/zinc/21/70/60/359217060.db2.gz UPCMJINMZYJHII-NEPJUHHUSA-N 2 2 241.379 0.737 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC000247382996 359217068 /nfs/dbraw/zinc/21/70/68/359217068.db2.gz UPCMJINMZYJHII-NEPJUHHUSA-N 2 2 241.379 0.737 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC000247382996 359217071 /nfs/dbraw/zinc/21/70/71/359217071.db2.gz UPCMJINMZYJHII-NEPJUHHUSA-N 2 2 241.379 0.737 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC000247382996 359217076 /nfs/dbraw/zinc/21/70/76/359217076.db2.gz UPCMJINMZYJHII-NEPJUHHUSA-N 2 2 241.379 0.737 20 0 BCADLP CNC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835671 359225059 /nfs/dbraw/zinc/22/50/59/359225059.db2.gz SDQHBPLIOJAITM-GFCCVEGCSA-N 2 2 239.363 0.540 20 0 BCADLP CNC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835671 359225064 /nfs/dbraw/zinc/22/50/64/359225064.db2.gz SDQHBPLIOJAITM-GFCCVEGCSA-N 2 2 239.363 0.540 20 0 BCADLP C[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152488045 359335129 /nfs/dbraw/zinc/33/51/29/359335129.db2.gz FEMOGENPPBLSPT-VHSXEESVSA-N 2 2 213.325 0.134 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152488045 359335132 /nfs/dbraw/zinc/33/51/32/359335132.db2.gz FEMOGENPPBLSPT-VHSXEESVSA-N 2 2 213.325 0.134 20 0 BCADLP C[C@@H](C(N)=O)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152488045 359335137 /nfs/dbraw/zinc/33/51/37/359335137.db2.gz FEMOGENPPBLSPT-VHSXEESVSA-N 2 2 213.325 0.134 20 0 BCADLP C[C@@H](C(N)=O)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152488045 359335140 /nfs/dbraw/zinc/33/51/40/359335140.db2.gz FEMOGENPPBLSPT-VHSXEESVSA-N 2 2 213.325 0.134 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C1([NH+](C)C)CC1 ZINC000611795110 359452583 /nfs/dbraw/zinc/45/25/83/359452583.db2.gz NSKIRDFYWCJQLG-UHFFFAOYSA-N 2 2 222.292 0.429 20 0 BCADLP CC[C@H]([NH3+])C[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000423479934 192787657 /nfs/dbraw/zinc/78/76/57/192787657.db2.gz VQCVKAFCXLSNMC-JFGNBEQYSA-N 2 2 211.353 0.796 20 0 BCADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000580431311 359543235 /nfs/dbraw/zinc/54/32/35/359543235.db2.gz ITYNYLMWEJBFJX-WDEREUQCSA-N 3 2 213.369 0.949 20 0 BCADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423544872 192810813 /nfs/dbraw/zinc/81/08/13/192810813.db2.gz CNDPEMSJDMQECJ-GRYCIOLGSA-N 2 2 212.337 0.999 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000379592895 359557590 /nfs/dbraw/zinc/55/75/90/359557590.db2.gz ZRXJNVNRCQVMJG-GWOFURMSSA-N 2 2 200.326 0.950 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000379592895 359557594 /nfs/dbraw/zinc/55/75/94/359557594.db2.gz ZRXJNVNRCQVMJG-GWOFURMSSA-N 2 2 200.326 0.950 20 0 BCADLP CC(C)[C@H](NC(=O)[C@H](C)C[NH3+])c1[nH]cc[nH+]1 ZINC000578441243 366567793 /nfs/dbraw/zinc/56/77/93/366567793.db2.gz ICVWKKGDVLVOGR-BDAKNGLRSA-N 2 2 224.308 0.818 20 0 BCADLP CC(C)[C@@H]([NH3+])CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000578517704 366585754 /nfs/dbraw/zinc/58/57/54/366585754.db2.gz RBQMSDRXCSBNMU-QWRGUYRKSA-N 2 2 238.335 0.934 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+](C)CC(C)(C)CO)C1CC1 ZINC000451253744 202388381 /nfs/dbraw/zinc/38/83/81/202388381.db2.gz NHNWSEJQAFHSPH-GFCCVEGCSA-N 2 2 244.379 0.392 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+](C)CC(C)(C)CO)C1CC1 ZINC000451253744 202388388 /nfs/dbraw/zinc/38/83/88/202388388.db2.gz NHNWSEJQAFHSPH-GFCCVEGCSA-N 2 2 244.379 0.392 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)CC(C)(C)CO ZINC000451253744 202388393 /nfs/dbraw/zinc/38/83/93/202388393.db2.gz NHNWSEJQAFHSPH-GFCCVEGCSA-N 2 2 244.379 0.392 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)CC(C)(C)CO ZINC000451253744 202388396 /nfs/dbraw/zinc/38/83/96/202388396.db2.gz NHNWSEJQAFHSPH-GFCCVEGCSA-N 2 2 244.379 0.392 20 0 BCADLP CC[N@H+](CCn1cc[nH+]c1C)C1COC1 ZINC000451282235 202393280 /nfs/dbraw/zinc/39/32/80/202393280.db2.gz BLNSITLKXLJBGR-UHFFFAOYSA-N 2 2 209.293 0.912 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1CCCOCC1)C1CC1 ZINC000309202739 491146232 /nfs/dbraw/zinc/14/62/32/491146232.db2.gz AORMOAQDWJOROP-LBPRGKRZSA-N 2 2 228.336 0.164 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+]1CCCOCC1)C1CC1 ZINC000309202739 491146233 /nfs/dbraw/zinc/14/62/33/491146233.db2.gz AORMOAQDWJOROP-LBPRGKRZSA-N 2 2 228.336 0.164 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+]1CCCOCC1)C1CC1 ZINC000309202739 491146234 /nfs/dbraw/zinc/14/62/34/491146234.db2.gz AORMOAQDWJOROP-LBPRGKRZSA-N 2 2 228.336 0.164 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+]1CCCOCC1)C1CC1 ZINC000309202739 491146235 /nfs/dbraw/zinc/14/62/35/491146235.db2.gz AORMOAQDWJOROP-LBPRGKRZSA-N 2 2 228.336 0.164 20 0 BCADLP CCc1cc(N2CCO[C@@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000088759967 359977655 /nfs/dbraw/zinc/97/76/55/359977655.db2.gz WGWMTWDXKNEGLY-NSHDSACASA-N 2 2 236.319 0.511 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)CC[N@@H+]1C ZINC000090720568 360085435 /nfs/dbraw/zinc/08/54/35/360085435.db2.gz QFOGDAAFCIDBDB-ZJUUUORDSA-N 2 2 223.324 0.387 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)CC[N@H+]1C ZINC000090720568 360085436 /nfs/dbraw/zinc/08/54/36/360085436.db2.gz QFOGDAAFCIDBDB-ZJUUUORDSA-N 2 2 223.324 0.387 20 0 BCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC1 ZINC000612845174 360107440 /nfs/dbraw/zinc/10/74/40/360107440.db2.gz ZDHZTZJJCTZQSO-GHMZBOCLSA-N 2 2 248.330 0.346 20 0 BCADLP C[N@H+](CCC1CC1)CC(=O)N1CC[NH+](C)CC1 ZINC000093203941 360222089 /nfs/dbraw/zinc/22/20/89/360222089.db2.gz ODYYUIGKICWXRB-UHFFFAOYSA-N 2 2 239.363 0.492 20 0 BCADLP C[N@@H+](CCC1CC1)CC(=O)N1CC[NH+](C)CC1 ZINC000093203941 360222093 /nfs/dbraw/zinc/22/20/93/360222093.db2.gz ODYYUIGKICWXRB-UHFFFAOYSA-N 2 2 239.363 0.492 20 0 BCADLP C[C@H](CCCO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000094942443 360326862 /nfs/dbraw/zinc/32/68/62/360326862.db2.gz ZMIHUDRBKZLPBB-SNVBAGLBSA-N 2 2 240.351 0.737 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)C1([NH+](C)C)CC1 ZINC000613190164 360500569 /nfs/dbraw/zinc/50/05/69/360500569.db2.gz DHBMIHBGSSSWJZ-GHMZBOCLSA-N 2 2 239.363 0.632 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)C1([NH+](C)C)CC1 ZINC000613190164 360500572 /nfs/dbraw/zinc/50/05/72/360500572.db2.gz DHBMIHBGSSSWJZ-GHMZBOCLSA-N 2 2 239.363 0.632 20 0 BCADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](CO)C2)C[N@@H+]1C1CC1 ZINC000631199516 360766221 /nfs/dbraw/zinc/76/62/21/360766221.db2.gz RGRYAMOYZRPHGJ-YFKTTZPYSA-N 2 2 224.348 0.972 20 0 BCADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](CO)C2)C[N@H+]1C1CC1 ZINC000631199516 360766225 /nfs/dbraw/zinc/76/62/25/360766225.db2.gz RGRYAMOYZRPHGJ-YFKTTZPYSA-N 2 2 224.348 0.972 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](CO)C2)C[N@@H+]1C1CC1 ZINC000631199512 360766370 /nfs/dbraw/zinc/76/63/70/360766370.db2.gz RGRYAMOYZRPHGJ-WYUUTHIRSA-N 2 2 224.348 0.972 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](CO)C2)C[N@H+]1C1CC1 ZINC000631199512 360766373 /nfs/dbraw/zinc/76/63/73/360766373.db2.gz RGRYAMOYZRPHGJ-WYUUTHIRSA-N 2 2 224.348 0.972 20 0 BCADLP COC[C@@H](O)C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000309629655 491153126 /nfs/dbraw/zinc/15/31/26/491153126.db2.gz HIMSFTNFVBYTQX-RYUDHWBXSA-N 2 2 230.352 0.456 20 0 BCADLP COC[C@@H](O)C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000309629655 491153127 /nfs/dbraw/zinc/15/31/27/491153127.db2.gz HIMSFTNFVBYTQX-RYUDHWBXSA-N 2 2 230.352 0.456 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)CC(=O)N(C)C ZINC000629390975 361045971 /nfs/dbraw/zinc/04/59/71/361045971.db2.gz QMZYKBPNKFMFHG-OUAUKWLOSA-N 2 2 227.352 0.583 20 0 BCADLP C[NH2+]CCOCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000629401444 361051795 /nfs/dbraw/zinc/05/17/95/361051795.db2.gz AQTSKNQNMUIGEY-WCQYABFASA-N 3 2 241.379 0.295 20 0 BCADLP C[NH2+]CCOCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000629401444 361051799 /nfs/dbraw/zinc/05/17/99/361051799.db2.gz AQTSKNQNMUIGEY-WCQYABFASA-N 3 2 241.379 0.295 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000629405950 361054130 /nfs/dbraw/zinc/05/41/30/361054130.db2.gz GSMKKKAZWORHIA-JOYOIKCWSA-N 2 2 233.315 0.626 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629404683 361054784 /nfs/dbraw/zinc/05/47/84/361054784.db2.gz BXXAFTGNKCVGTL-KXUCPTDWSA-N 2 2 213.325 0.193 20 0 BCADLP Cn1nnc2cc(C[NH2+][C@@H]3CC[NH2+]C3)ccc21 ZINC000629409514 361057900 /nfs/dbraw/zinc/05/79/00/361057900.db2.gz IOJWZOMYUBRFRP-SNVBAGLBSA-N 2 2 231.303 0.420 20 0 BCADLP c1ncn(-c2ccccc2C[NH2+][C@@H]2CC[NH2+]C2)n1 ZINC000629409255 361058643 /nfs/dbraw/zinc/05/86/43/361058643.db2.gz FJCUQDYDYHKDPZ-GFCCVEGCSA-N 2 2 243.314 0.719 20 0 BCADLP FC1(F)COCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000629506410 361100817 /nfs/dbraw/zinc/10/08/17/361100817.db2.gz YHXZFKRCWNHFMV-UHFFFAOYSA-N 2 2 234.290 0.954 20 0 BCADLP FC1(F)COCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000629506410 361100821 /nfs/dbraw/zinc/10/08/21/361100821.db2.gz YHXZFKRCWNHFMV-UHFFFAOYSA-N 2 2 234.290 0.954 20 0 BCADLP [NH3+][C@@H]1CCC[N@H+](CCOC2CCOCC2)C1 ZINC000629509014 361102458 /nfs/dbraw/zinc/10/24/58/361102458.db2.gz GZMOCGRTURTLLY-LLVKDONJSA-N 2 2 228.336 0.605 20 0 BCADLP [NH3+][C@@H]1CCC[N@@H+](CCOC2CCOCC2)C1 ZINC000629509014 361102459 /nfs/dbraw/zinc/10/24/59/361102459.db2.gz GZMOCGRTURTLLY-LLVKDONJSA-N 2 2 228.336 0.605 20 0 BCADLP COc1cncc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)n1 ZINC000629509711 361103664 /nfs/dbraw/zinc/10/36/64/361103664.db2.gz IODJJCALZXRDIR-KOLCDFICSA-N 2 2 236.319 0.654 20 0 BCADLP COc1cncc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)n1 ZINC000629509711 361103668 /nfs/dbraw/zinc/10/36/68/361103668.db2.gz IODJJCALZXRDIR-KOLCDFICSA-N 2 2 236.319 0.654 20 0 BCADLP C[C@H]1C[N@H+](CC(=O)NCC(C)(C)C)CC[C@H]1[NH3+] ZINC000629510460 361108628 /nfs/dbraw/zinc/10/86/28/361108628.db2.gz UNTWNWGBPQGSOE-WDEREUQCSA-N 2 2 241.379 0.818 20 0 BCADLP C[C@H]1C[N@@H+](CC(=O)NCC(C)(C)C)CC[C@H]1[NH3+] ZINC000629510460 361108633 /nfs/dbraw/zinc/10/86/33/361108633.db2.gz UNTWNWGBPQGSOE-WDEREUQCSA-N 2 2 241.379 0.818 20 0 BCADLP CCn1nnc(C)c1C[N@H+](C)CCC[NH3+] ZINC000629514721 361112119 /nfs/dbraw/zinc/11/21/19/361112119.db2.gz NXXGMYJOBXCCIW-UHFFFAOYSA-N 2 2 211.313 0.387 20 0 BCADLP CCn1nnc(C)c1C[N@@H+](C)CCC[NH3+] ZINC000629514721 361112122 /nfs/dbraw/zinc/11/21/22/361112122.db2.gz NXXGMYJOBXCCIW-UHFFFAOYSA-N 2 2 211.313 0.387 20 0 BCADLP CC(C)(C)CNC(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000629527457 361130807 /nfs/dbraw/zinc/13/08/07/361130807.db2.gz WBDNREKTWUXYLC-UHFFFAOYSA-N 2 2 241.379 0.962 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000629528335 361132340 /nfs/dbraw/zinc/13/23/40/361132340.db2.gz WLAHHORDXHYWDE-SDDRHHMPSA-N 3 2 211.353 0.859 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000629528306 361135309 /nfs/dbraw/zinc/13/53/09/361135309.db2.gz WBSDWJOJBXEXBT-FIQHERPVSA-N 3 2 211.353 0.844 20 0 BCADLP [NH3+]C1(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000353240954 181324278 /nfs/dbraw/zinc/32/42/78/181324278.db2.gz BLWSKWQXMNXGCF-UHFFFAOYSA-N 2 2 234.303 0.607 20 0 BCADLP [NH3+]C1(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000353240954 181324282 /nfs/dbraw/zinc/32/42/82/181324282.db2.gz BLWSKWQXMNXGCF-UHFFFAOYSA-N 2 2 234.303 0.607 20 0 BCADLP C[NH2+]CCOCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000629531447 361148718 /nfs/dbraw/zinc/14/87/18/361148718.db2.gz LEZNMITWLLIEMH-VXGBXAGGSA-N 3 2 229.368 0.343 20 0 BCADLP Nc1ncccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000629531922 361150265 /nfs/dbraw/zinc/15/02/65/361150265.db2.gz DVZTUNHSZJYWFR-ZYHUDNBSSA-N 2 2 232.331 0.848 20 0 BCADLP Nc1ncccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000629531922 361150270 /nfs/dbraw/zinc/15/02/70/361150270.db2.gz DVZTUNHSZJYWFR-ZYHUDNBSSA-N 2 2 232.331 0.848 20 0 BCADLP O[C@@H](CC[NH2+]Cc1c[nH+]c2n1CCC2)C(F)F ZINC000631215016 361154662 /nfs/dbraw/zinc/15/46/62/361154662.db2.gz IAVOQLHYTPREIO-VIFPVBQESA-N 2 2 245.273 0.935 20 0 BCADLP CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424333788 200916712 /nfs/dbraw/zinc/91/67/12/200916712.db2.gz MWSRUEQERAUULH-GMTAPVOTSA-N 2 2 227.352 0.761 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCC(N)=O)C[N@@H+]1C1CC1 ZINC000162911171 361186133 /nfs/dbraw/zinc/18/61/33/361186133.db2.gz MJORYOZWGZQBKL-BDAKNGLRSA-N 2 2 211.309 0.077 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCC(N)=O)C[N@H+]1C1CC1 ZINC000162911171 361186134 /nfs/dbraw/zinc/18/61/34/361186134.db2.gz MJORYOZWGZQBKL-BDAKNGLRSA-N 2 2 211.309 0.077 20 0 BCADLP CCCCCNC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000613210295 361246078 /nfs/dbraw/zinc/24/60/78/361246078.db2.gz RIVLSXFVTLOHFG-VXGBXAGGSA-N 2 2 239.363 0.444 20 0 BCADLP [NH3+]C1(C(=O)NCc2[nH]cc[nH+]2)CCCCC1 ZINC000070646700 181328239 /nfs/dbraw/zinc/32/82/39/181328239.db2.gz DXBWACGWAJEYON-UHFFFAOYSA-N 2 2 222.292 0.688 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000575007533 361321375 /nfs/dbraw/zinc/32/13/75/361321375.db2.gz DHHMDYVICKYUJA-UWVGGRQHSA-N 2 2 234.303 0.098 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC000575007533 361321379 /nfs/dbraw/zinc/32/13/79/361321379.db2.gz DHHMDYVICKYUJA-UWVGGRQHSA-N 2 2 234.303 0.098 20 0 BCADLP CCC[N@H+](CCCn1cc[nH+]c1)CC(N)=O ZINC000429177036 201075648 /nfs/dbraw/zinc/07/56/48/201075648.db2.gz QIKHDWVWGQWXGV-UHFFFAOYSA-N 2 2 224.308 0.471 20 0 BCADLP CCC[N@@H+](CCCn1cc[nH+]c1)CC(N)=O ZINC000429177036 201075651 /nfs/dbraw/zinc/07/56/51/201075651.db2.gz QIKHDWVWGQWXGV-UHFFFAOYSA-N 2 2 224.308 0.471 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000629543729 361412746 /nfs/dbraw/zinc/41/27/46/361412746.db2.gz ALXBUPFKWQZPSW-YFKTTZPYSA-N 3 2 211.353 0.844 20 0 BCADLP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629543776 361413296 /nfs/dbraw/zinc/41/32/96/361413296.db2.gz BCJJXKBTUDSCMQ-JFGNBEQYSA-N 2 2 220.320 0.748 20 0 BCADLP C/C=C\C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000629540550 361413834 /nfs/dbraw/zinc/41/38/34/361413834.db2.gz VIMXICWDHHHICE-ZZVHHRJTSA-N 2 2 210.321 0.919 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NCC(C)(C)C ZINC000629545189 361425630 /nfs/dbraw/zinc/42/56/30/361425630.db2.gz CISFUSXTHSBUGC-MNOVXSKESA-N 2 2 241.379 0.960 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NCC(C)(C)C ZINC000629545189 361425633 /nfs/dbraw/zinc/42/56/33/361425633.db2.gz CISFUSXTHSBUGC-MNOVXSKESA-N 2 2 241.379 0.960 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000629547223 361430860 /nfs/dbraw/zinc/43/08/60/361430860.db2.gz SCQVPUZYWFISCC-FIQHERPVSA-N 3 2 211.353 0.715 20 0 BCADLP C[C@@H](CCCC[NH3+])[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000629548202 361432884 /nfs/dbraw/zinc/43/28/84/361432884.db2.gz WIVQZHKLCIVBEH-NWDGAFQWSA-N 3 2 229.368 0.160 20 0 BCADLP C[C@@H](CCCC[NH3+])[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000629548202 361432885 /nfs/dbraw/zinc/43/28/85/361432885.db2.gz WIVQZHKLCIVBEH-NWDGAFQWSA-N 3 2 229.368 0.160 20 0 BCADLP CC[C@H](Cn1cncn1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000629553264 361437712 /nfs/dbraw/zinc/43/77/12/361437712.db2.gz URDQSPYTFXCSME-NXEZZACHSA-N 2 2 209.297 0.008 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCN(C)CC(F)F ZINC000629556788 361445070 /nfs/dbraw/zinc/44/50/70/361445070.db2.gz YOAQWAUYJHVOMD-VHSXEESVSA-N 2 2 235.322 0.771 20 0 BCADLP C[NH2+]CCOCC[N@H+](C)Cc1nccs1 ZINC000629571051 361460367 /nfs/dbraw/zinc/46/03/67/361460367.db2.gz OYLVQYSSPBZREH-UHFFFAOYSA-N 2 2 229.349 0.811 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)Cc1nccs1 ZINC000629571051 361460373 /nfs/dbraw/zinc/46/03/73/361460373.db2.gz OYLVQYSSPBZREH-UHFFFAOYSA-N 2 2 229.349 0.811 20 0 BCADLP O=c1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)n[nH]1 ZINC000629580409 361465445 /nfs/dbraw/zinc/46/54/45/361465445.db2.gz AUIKOSCVFUAZIF-ZYHUDNBSSA-N 2 2 248.330 0.929 20 0 BCADLP O=c1ccc([C@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)n[nH]1 ZINC000629580409 361465446 /nfs/dbraw/zinc/46/54/46/361465446.db2.gz AUIKOSCVFUAZIF-ZYHUDNBSSA-N 2 2 248.330 0.929 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCO[C@H](CCF)C1 ZINC000629580953 361470517 /nfs/dbraw/zinc/47/05/17/361470517.db2.gz HFGSGMIFBPKPPB-MNOVXSKESA-N 2 2 234.315 0.017 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCO[C@H](CCF)C1 ZINC000629580953 361470521 /nfs/dbraw/zinc/47/05/21/361470521.db2.gz HFGSGMIFBPKPPB-MNOVXSKESA-N 2 2 234.315 0.017 20 0 BCADLP Cc1cnc([C@@H](C)[N@H+](C)CCOCC[NH3+])o1 ZINC000629581218 361471675 /nfs/dbraw/zinc/47/16/75/361471675.db2.gz RXXPTIGEZNOJTF-SNVBAGLBSA-N 2 2 227.308 0.951 20 0 BCADLP Cc1cnc([C@@H](C)[N@@H+](C)CCOCC[NH3+])o1 ZINC000629581218 361471679 /nfs/dbraw/zinc/47/16/79/361471679.db2.gz RXXPTIGEZNOJTF-SNVBAGLBSA-N 2 2 227.308 0.951 20 0 BCADLP Cn1cc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cn1 ZINC000629585170 361474473 /nfs/dbraw/zinc/47/44/73/361474473.db2.gz LZQYRQHGBLUJGK-BETUJISGSA-N 2 2 234.347 0.852 20 0 BCADLP Cn1cc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cn1 ZINC000629585170 361474474 /nfs/dbraw/zinc/47/44/74/361474474.db2.gz LZQYRQHGBLUJGK-BETUJISGSA-N 2 2 234.347 0.852 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCO[C@@](C)(COC)C1 ZINC000629595742 361483251 /nfs/dbraw/zinc/48/32/51/361483251.db2.gz WIQFPYFCWGXFMW-LLVKDONJSA-N 2 2 216.325 0.333 20 0 BCADLP C[NH2+]CCC[N@H+]1CCO[C@@](C)(COC)C1 ZINC000629595742 361483255 /nfs/dbraw/zinc/48/32/55/361483255.db2.gz WIQFPYFCWGXFMW-LLVKDONJSA-N 2 2 216.325 0.333 20 0 BCADLP Cn1nccc1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593161 361484762 /nfs/dbraw/zinc/48/47/62/361484762.db2.gz GTNGWXXINAPXIX-BETUJISGSA-N 2 2 234.347 0.852 20 0 BCADLP Cn1nccc1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593161 361484767 /nfs/dbraw/zinc/48/47/67/361484767.db2.gz GTNGWXXINAPXIX-BETUJISGSA-N 2 2 234.347 0.852 20 0 BCADLP COC[C@@]1(C)C[N@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000629594445 361486306 /nfs/dbraw/zinc/48/63/06/361486306.db2.gz CSRXJNWAZSFXHF-NWDGAFQWSA-N 2 2 228.336 0.333 20 0 BCADLP COC[C@@]1(C)C[N@@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000629594445 361486310 /nfs/dbraw/zinc/48/63/10/361486310.db2.gz CSRXJNWAZSFXHF-NWDGAFQWSA-N 2 2 228.336 0.333 20 0 BCADLP COC[C@@]1(C)C[N@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000629594447 361486581 /nfs/dbraw/zinc/48/65/81/361486581.db2.gz CSRXJNWAZSFXHF-VXGBXAGGSA-N 2 2 228.336 0.333 20 0 BCADLP COC[C@@]1(C)C[N@@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000629594447 361486586 /nfs/dbraw/zinc/48/65/86/361486586.db2.gz CSRXJNWAZSFXHF-VXGBXAGGSA-N 2 2 228.336 0.333 20 0 BCADLP CC[N@H+](CC[NH3+])CCO[C@@H]1CC1(F)F ZINC000629560132 361455432 /nfs/dbraw/zinc/45/54/32/361455432.db2.gz XKFDULQKZOHUGS-MRVPVSSYSA-N 2 2 208.252 0.691 20 0 BCADLP CC[N@@H+](CC[NH3+])CCO[C@@H]1CC1(F)F ZINC000629560132 361455436 /nfs/dbraw/zinc/45/54/36/361455436.db2.gz XKFDULQKZOHUGS-MRVPVSSYSA-N 2 2 208.252 0.691 20 0 BCADLP F[C@@H]1C[NH2+][C@H](C[NH2+]CC2=CCCOC2)C1 ZINC000629649614 361545179 /nfs/dbraw/zinc/54/51/79/361545179.db2.gz XDBCPPGFXHIJSC-QWRGUYRKSA-N 2 2 214.284 0.623 20 0 BCADLP CC(C)C[C@H]([NH3+])C[NH2+]CC1([NH3+])CCOCC1 ZINC000629653966 361554722 /nfs/dbraw/zinc/55/47/22/361554722.db2.gz KMHLTQFAILNCOK-NSHDSACASA-N 3 2 229.368 0.457 20 0 BCADLP O=C1C[C@]2(CC[N@H+](CCCn3cc[nH+]c3)C2)CN1 ZINC000434756219 201238773 /nfs/dbraw/zinc/23/87/73/201238773.db2.gz YNRCSBYNQPEIRT-CYBMUJFWSA-N 2 2 248.330 0.485 20 0 BCADLP O=C1C[C@]2(CC[N@@H+](CCCn3cc[nH+]c3)C2)CN1 ZINC000434756219 201238777 /nfs/dbraw/zinc/23/87/77/201238777.db2.gz YNRCSBYNQPEIRT-CYBMUJFWSA-N 2 2 248.330 0.485 20 0 BCADLP C[NH2+]CCC[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000435877946 201291983 /nfs/dbraw/zinc/29/19/83/201291983.db2.gz WPTXAGWNLPALQD-UHFFFAOYSA-N 2 2 237.351 0.152 20 0 BCADLP [NH3+]C1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000019816528 181343975 /nfs/dbraw/zinc/34/39/75/181343975.db2.gz VRBFFQJMFLBDLB-UHFFFAOYSA-N 2 2 225.336 0.422 20 0 BCADLP [NH3+]CC(=O)NCCCCNc1cccc[nH+]1 ZINC000262660763 181351892 /nfs/dbraw/zinc/35/18/92/181351892.db2.gz XTGYWFUURQUIGP-UHFFFAOYSA-N 2 2 222.292 0.349 20 0 BCADLP c1cn(-c2cc(N[C@@H]3CC[NH2+]C3)ncn2)c[nH+]1 ZINC000630547525 364242295 /nfs/dbraw/zinc/24/22/95/364242295.db2.gz NMJGVDRFCYNBTN-SECBINFHSA-N 2 2 230.275 0.436 20 0 BCADLP Cc1n[nH]cc1C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000398956734 364278733 /nfs/dbraw/zinc/27/87/33/364278733.db2.gz IRPBKSGFGBXDAW-GZMMTYOYSA-N 2 2 208.309 0.948 20 0 BCADLP C[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)C[NH2+]1 ZINC000398967511 364376931 /nfs/dbraw/zinc/37/69/31/364376931.db2.gz SHGAGJHOKIFJBU-UWVGGRQHSA-N 2 2 208.309 0.650 20 0 BCADLP [NH3+]CCC(=O)NCCCCNc1cccc[nH+]1 ZINC000262651582 181367908 /nfs/dbraw/zinc/36/79/08/181367908.db2.gz REAGLEJZMOQWBX-UHFFFAOYSA-N 2 2 236.319 0.739 20 0 BCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc[nH]n1 ZINC000252891154 364677437 /nfs/dbraw/zinc/67/74/37/364677437.db2.gz JOFQAORYJSVBSH-MWLCHTKSSA-N 2 2 208.309 0.840 20 0 BCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc[nH]n1 ZINC000252891154 364677439 /nfs/dbraw/zinc/67/74/39/364677439.db2.gz JOFQAORYJSVBSH-MWLCHTKSSA-N 2 2 208.309 0.840 20 0 BCADLP [NH3+]CCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000083909163 181368019 /nfs/dbraw/zinc/36/80/19/181368019.db2.gz WNWXHIHGGKLYJF-UHFFFAOYSA-N 2 2 218.260 0.299 20 0 BCADLP C[C@H](C[NH2+]CCC[NH+]1CCCC1)S(C)(=O)=O ZINC000167725134 364806030 /nfs/dbraw/zinc/80/60/30/364806030.db2.gz URODROJAROORMN-LLVKDONJSA-N 2 2 248.392 0.495 20 0 BCADLP CCOCC[C@@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000573676961 364890055 /nfs/dbraw/zinc/89/00/55/364890055.db2.gz WHPZGMIVLAAIHA-LLVKDONJSA-N 2 2 227.308 0.260 20 0 BCADLP [NH3+]CCCCCC(=O)NCc1[nH]cc[nH+]1 ZINC000070646646 181373985 /nfs/dbraw/zinc/37/39/85/181373985.db2.gz FMOKXRIGXXEDOU-UHFFFAOYSA-N 2 2 210.281 0.545 20 0 BCADLP C[C@@H](O)CC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000573860555 364933828 /nfs/dbraw/zinc/93/38/28/364933828.db2.gz XNRBFTVFQOTAQK-GRYCIOLGSA-N 2 2 212.337 0.926 20 0 BCADLP C[C@@H](O)CC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000573860555 364933833 /nfs/dbraw/zinc/93/38/33/364933833.db2.gz XNRBFTVFQOTAQK-GRYCIOLGSA-N 2 2 212.337 0.926 20 0 BCADLP C[C@@H](O)CC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000573860555 364933839 /nfs/dbraw/zinc/93/38/39/364933839.db2.gz XNRBFTVFQOTAQK-GRYCIOLGSA-N 2 2 212.337 0.926 20 0 BCADLP C[C@@H](O)CC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000573860555 364933847 /nfs/dbraw/zinc/93/38/47/364933847.db2.gz XNRBFTVFQOTAQK-GRYCIOLGSA-N 2 2 212.337 0.926 20 0 BCADLP C[C@H](C(N)=O)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000168544572 364953717 /nfs/dbraw/zinc/95/37/17/364953717.db2.gz MXAGCJLOYAMBFN-SECBINFHSA-N 2 2 225.336 0.324 20 0 BCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000574036531 364973155 /nfs/dbraw/zinc/97/31/55/364973155.db2.gz UHOBHHXJBIIMAT-RKDXNWHRSA-N 2 2 235.287 0.536 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CC2(C)COC2)n1C ZINC000574173784 365004133 /nfs/dbraw/zinc/00/41/33/365004133.db2.gz RIHOLGJXPQZPLK-UHFFFAOYSA-N 2 2 209.293 0.855 20 0 BCADLP C[C@H]([NH3+])CCC(=O)NCCNc1cccc[nH+]1 ZINC000574196592 365005032 /nfs/dbraw/zinc/00/50/32/365005032.db2.gz FYSZGWJNQKEBON-JTQLQIEISA-N 2 2 236.319 0.737 20 0 BCADLP C[C@@H](C[NH2+]CC1(O)CCC1)C[NH+]1CCOCC1 ZINC000574393294 365050818 /nfs/dbraw/zinc/05/08/18/365050818.db2.gz OBFZMFHYSHDYBN-LBPRGKRZSA-N 2 2 242.363 0.459 20 0 BCADLP C[NH2+]Cc1noc([C@]2(C)CCCC[NH2+]2)n1 ZINC000574451899 365064460 /nfs/dbraw/zinc/06/44/60/365064460.db2.gz TUYZLRWBGPOESU-JTQLQIEISA-N 2 2 210.281 0.778 20 0 BCADLP Cc1ccc(NC(=O)[C@H]2C[NH2+]CCO2)c(C)[nH+]1 ZINC000094666125 541451617 /nfs/dbraw/zinc/45/16/17/541451617.db2.gz OGLRGCOKAMMYTJ-LLVKDONJSA-N 2 2 235.287 0.625 20 0 BCADLP O[C@@H](C[NH2+]CCCn1cc[nH+]c1)Cn1cccn1 ZINC000574632310 365105972 /nfs/dbraw/zinc/10/59/72/365105972.db2.gz SVOVFLZCNCDLMI-LBPRGKRZSA-N 2 2 249.318 0.120 20 0 BCADLP CSC[C@@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000574806082 365147445 /nfs/dbraw/zinc/14/74/45/365147445.db2.gz UPDSJDPHDWEDFL-UWVGGRQHSA-N 2 2 241.360 0.511 20 0 BCADLP CCOC1CC(O)(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000444014376 193033042 /nfs/dbraw/zinc/03/30/42/193033042.db2.gz PHJCDZFGIPMHMT-IGJPJIBNSA-N 2 2 242.363 0.456 20 0 BCADLP CCOC1CC(O)(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000444014376 193033044 /nfs/dbraw/zinc/03/30/44/193033044.db2.gz PHJCDZFGIPMHMT-IGJPJIBNSA-N 2 2 242.363 0.456 20 0 BCADLP C[C@@H]1CC[N@H+](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC000575229878 365257043 /nfs/dbraw/zinc/25/70/43/365257043.db2.gz KEXZXDMRJWWZTC-LLVKDONJSA-N 2 2 236.319 0.341 20 0 BCADLP C[C@@H]1CC[N@@H+](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC000575229878 365257055 /nfs/dbraw/zinc/25/70/55/365257055.db2.gz KEXZXDMRJWWZTC-LLVKDONJSA-N 2 2 236.319 0.341 20 0 BCADLP CC[NH2+][C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000575325573 365290904 /nfs/dbraw/zinc/29/09/04/365290904.db2.gz OPGRDXHPPATPMP-MNOVXSKESA-N 2 2 238.335 0.948 20 0 BCADLP CC1(C)CN(C(=O)CCn2cc[nH+]c2)CC[NH2+]1 ZINC000336067666 365308778 /nfs/dbraw/zinc/30/87/78/365308778.db2.gz BCLINAWBKDEEFA-UHFFFAOYSA-N 2 2 236.319 0.484 20 0 BCADLP COCc1noc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000575749309 365352724 /nfs/dbraw/zinc/35/27/24/365352724.db2.gz PFLZNXFSWPETKE-DTWKUNHWSA-N 2 2 240.307 0.385 20 0 BCADLP COCc1noc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000575749309 365352732 /nfs/dbraw/zinc/35/27/32/365352732.db2.gz PFLZNXFSWPETKE-DTWKUNHWSA-N 2 2 240.307 0.385 20 0 BCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000352177784 541480063 /nfs/dbraw/zinc/48/00/63/541480063.db2.gz GBSFAHGQVGHOHW-NSHDSACASA-N 2 2 248.330 0.695 20 0 BCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000352177784 541480067 /nfs/dbraw/zinc/48/00/67/541480067.db2.gz GBSFAHGQVGHOHW-NSHDSACASA-N 2 2 248.330 0.695 20 0 BCADLP C[C@H]1COCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000383826048 541514787 /nfs/dbraw/zinc/51/47/87/541514787.db2.gz RQMHLHAQJOPDKS-AAEUAGOBSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H]1COCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000383826048 541514790 /nfs/dbraw/zinc/51/47/90/541514790.db2.gz RQMHLHAQJOPDKS-AAEUAGOBSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H]1COCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000383826048 541514796 /nfs/dbraw/zinc/51/47/96/541514796.db2.gz RQMHLHAQJOPDKS-AAEUAGOBSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H]1COCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000383826048 541514800 /nfs/dbraw/zinc/51/48/00/541514800.db2.gz RQMHLHAQJOPDKS-AAEUAGOBSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000580762698 367066660 /nfs/dbraw/zinc/06/66/60/367066660.db2.gz AABJTQJDGZLEBZ-ONGXEEELSA-N 2 2 240.351 0.069 20 0 BCADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000580762698 367066670 /nfs/dbraw/zinc/06/66/70/367066670.db2.gz AABJTQJDGZLEBZ-ONGXEEELSA-N 2 2 240.351 0.069 20 0 BCADLP C[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000579971938 367097468 /nfs/dbraw/zinc/09/74/68/367097468.db2.gz WHSUQXRMNOJHHI-VIFPVBQESA-N 2 2 210.281 0.170 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CC(F)(F)C[NH3+] ZINC000579967112 367107063 /nfs/dbraw/zinc/10/70/63/367107063.db2.gz QXVYSGJLDOUBGJ-MRVPVSSYSA-N 2 2 246.261 0.372 20 0 BCADLP Cc1[nH+]ccn1CC(=O)NCCn1cc[nH+]c1 ZINC000622307906 370835602 /nfs/dbraw/zinc/83/56/02/370835602.db2.gz PBZZSLMIEFMXSB-UHFFFAOYSA-N 2 2 233.275 0.204 20 0 BCADLP CSCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000193801716 367211381 /nfs/dbraw/zinc/21/13/81/367211381.db2.gz MFHKUZRUGBIADD-UHFFFAOYSA-N 2 2 245.392 0.055 20 0 BCADLP CSC[C@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000580948263 367213140 /nfs/dbraw/zinc/21/31/40/367213140.db2.gz NTDQZKIPSLNRCY-DTWKUNHWSA-N 2 2 241.360 0.581 20 0 BCADLP CSC[C@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000580948263 367213143 /nfs/dbraw/zinc/21/31/43/367213143.db2.gz NTDQZKIPSLNRCY-DTWKUNHWSA-N 2 2 241.360 0.581 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000581321667 367348918 /nfs/dbraw/zinc/34/89/18/367348918.db2.gz UREVUJIOUTVCBP-QMMMGPOBSA-N 2 2 224.308 0.343 20 0 BCADLP C[C@H]([NH2+]C1CC1)C(=O)NCc1[nH]cc[nH+]1 ZINC000382932473 367568511 /nfs/dbraw/zinc/56/85/11/367568511.db2.gz GFJKPSRGTNNXQK-ZETCQYMHSA-N 2 2 208.265 0.166 20 0 BCADLP CC(C)[C@H]([NH3+])CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000581606292 367630557 /nfs/dbraw/zinc/63/05/57/367630557.db2.gz BPQXMKKYGHCXFR-VXNVDRBHSA-N 2 2 242.348 0.242 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C)(OC)CC1 ZINC000383598954 367643286 /nfs/dbraw/zinc/64/32/86/367643286.db2.gz PRPJINDCHROESQ-GFCCVEGCSA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(OC)CC1 ZINC000383598954 367643291 /nfs/dbraw/zinc/64/32/91/367643291.db2.gz PRPJINDCHROESQ-GFCCVEGCSA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(COC)CC1 ZINC000383651991 367647530 /nfs/dbraw/zinc/64/75/30/367647530.db2.gz DRXVSLRMXMNFRS-ZDUSSCGKSA-N 2 2 244.379 0.657 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(COC)CC1 ZINC000383651991 367647535 /nfs/dbraw/zinc/64/75/35/367647535.db2.gz DRXVSLRMXMNFRS-ZDUSSCGKSA-N 2 2 244.379 0.657 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(COC)CC1 ZINC000383651985 367647920 /nfs/dbraw/zinc/64/79/20/367647920.db2.gz DRXVSLRMXMNFRS-CYBMUJFWSA-N 2 2 244.379 0.657 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(COC)CC1 ZINC000383651985 367647923 /nfs/dbraw/zinc/64/79/23/367647923.db2.gz DRXVSLRMXMNFRS-CYBMUJFWSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CCC1CC1 ZINC000383762088 367651879 /nfs/dbraw/zinc/65/18/79/367651879.db2.gz LRWZIPXKUKZHKD-ZDUSSCGKSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CCC1CC1 ZINC000383762088 367651886 /nfs/dbraw/zinc/65/18/86/367651886.db2.gz LRWZIPXKUKZHKD-ZDUSSCGKSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CCC1CC1 ZINC000383762088 367651891 /nfs/dbraw/zinc/65/18/91/367651891.db2.gz LRWZIPXKUKZHKD-ZDUSSCGKSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CCC1CC1 ZINC000383762088 367651898 /nfs/dbraw/zinc/65/18/98/367651898.db2.gz LRWZIPXKUKZHKD-ZDUSSCGKSA-N 2 2 244.379 0.657 20 0 BCADLP CC[C@H](C)C[N@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000384040520 367669265 /nfs/dbraw/zinc/66/92/65/367669265.db2.gz UZUPOSRVOHVWHP-STQMWFEESA-N 2 2 246.395 0.903 20 0 BCADLP CC[C@H](C)C[N@@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000384040520 367669269 /nfs/dbraw/zinc/66/92/69/367669269.db2.gz UZUPOSRVOHVWHP-STQMWFEESA-N 2 2 246.395 0.903 20 0 BCADLP CC[C@H](C)C[NH+](C)C[C@@H](O)C[N@H+](C)CCOC ZINC000384040520 367669272 /nfs/dbraw/zinc/66/92/72/367669272.db2.gz UZUPOSRVOHVWHP-STQMWFEESA-N 2 2 246.395 0.903 20 0 BCADLP CC[C@H](C)C[NH+](C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000384040520 367669274 /nfs/dbraw/zinc/66/92/74/367669274.db2.gz UZUPOSRVOHVWHP-STQMWFEESA-N 2 2 246.395 0.903 20 0 BCADLP CC[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000384060019 367670849 /nfs/dbraw/zinc/67/08/49/367670849.db2.gz XZNPOQRWDQYZGT-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000384060019 367670851 /nfs/dbraw/zinc/67/08/51/367670851.db2.gz XZNPOQRWDQYZGT-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000384060019 367670854 /nfs/dbraw/zinc/67/08/54/367670854.db2.gz XZNPOQRWDQYZGT-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000384060019 367670858 /nfs/dbraw/zinc/67/08/58/367670858.db2.gz XZNPOQRWDQYZGT-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP C[C@H]1C[C@H](O)C[N@@H+]1CC[NH2+]C(C)(C)C ZINC000384843838 367742090 /nfs/dbraw/zinc/74/20/90/367742090.db2.gz WLFXYPCJHUVUCD-UWVGGRQHSA-N 2 2 200.326 0.830 20 0 BCADLP C[C@H]1C[C@H](O)C[N@H+]1CC[NH2+]C(C)(C)C ZINC000384843838 367742094 /nfs/dbraw/zinc/74/20/94/367742094.db2.gz WLFXYPCJHUVUCD-UWVGGRQHSA-N 2 2 200.326 0.830 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(C)(C)O)C1 ZINC000385119122 367795087 /nfs/dbraw/zinc/79/50/87/367795087.db2.gz FGLWOZGPELBZBS-RYUDHWBXSA-N 2 2 244.379 0.846 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(C)(C)O)C1 ZINC000385119122 367795093 /nfs/dbraw/zinc/79/50/93/367795093.db2.gz FGLWOZGPELBZBS-RYUDHWBXSA-N 2 2 244.379 0.846 20 0 BCADLP C[N@@H+]1CC[C@@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000386114267 367914128 /nfs/dbraw/zinc/91/41/28/367914128.db2.gz BFYPLZUPDBNANV-SECBINFHSA-N 2 2 222.292 0.020 20 0 BCADLP C[N@H+]1CC[C@@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000386114267 367914134 /nfs/dbraw/zinc/91/41/34/367914134.db2.gz BFYPLZUPDBNANV-SECBINFHSA-N 2 2 222.292 0.020 20 0 BCADLP C[N@@H+]1CC[C@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000386114268 367914190 /nfs/dbraw/zinc/91/41/90/367914190.db2.gz BFYPLZUPDBNANV-VIFPVBQESA-N 2 2 222.292 0.020 20 0 BCADLP C[N@H+]1CC[C@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000386114268 367914192 /nfs/dbraw/zinc/91/41/92/367914192.db2.gz BFYPLZUPDBNANV-VIFPVBQESA-N 2 2 222.292 0.020 20 0 BCADLP CCN(CC)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000087613623 367919573 /nfs/dbraw/zinc/91/95/73/367919573.db2.gz SAKYLCNRIGUKNU-SNVBAGLBSA-N 2 2 228.340 0.023 20 0 BCADLP CCN(CC)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000087613623 367919576 /nfs/dbraw/zinc/91/95/76/367919576.db2.gz SAKYLCNRIGUKNU-SNVBAGLBSA-N 2 2 228.340 0.023 20 0 BCADLP COCCOCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386564312 367992761 /nfs/dbraw/zinc/99/27/61/367992761.db2.gz JZFHVVZNNUTYHM-NEPJUHHUSA-N 2 2 230.352 0.770 20 0 BCADLP COCCOCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386564315 367994236 /nfs/dbraw/zinc/99/42/36/367994236.db2.gz JZFHVVZNNUTYHM-RYUDHWBXSA-N 2 2 230.352 0.770 20 0 BCADLP COC[C@H]1CC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000567179852 326131055 /nfs/dbraw/zinc/13/10/55/326131055.db2.gz WTHAQAOGXJBSER-VXGBXAGGSA-N 2 2 230.352 0.408 20 0 BCADLP COC[C@H]1CC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000567179852 326131059 /nfs/dbraw/zinc/13/10/59/326131059.db2.gz WTHAQAOGXJBSER-VXGBXAGGSA-N 2 2 230.352 0.408 20 0 BCADLP COC[C@H]1CC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000567179852 326131063 /nfs/dbraw/zinc/13/10/63/326131063.db2.gz WTHAQAOGXJBSER-VXGBXAGGSA-N 2 2 230.352 0.408 20 0 BCADLP COC[C@H]1CC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000567179852 326131067 /nfs/dbraw/zinc/13/10/67/326131067.db2.gz WTHAQAOGXJBSER-VXGBXAGGSA-N 2 2 230.352 0.408 20 0 BCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000086271970 368877938 /nfs/dbraw/zinc/87/79/38/368877938.db2.gz SKHIEGYSZYCWJN-BDAKNGLRSA-N 2 2 222.292 0.034 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000086272194 368878985 /nfs/dbraw/zinc/87/89/85/368878985.db2.gz GAXUEWKYRBPMCN-JGVFFNPUSA-N 2 2 208.265 0.024 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834704 369034050 /nfs/dbraw/zinc/03/40/50/369034050.db2.gz DFYGXMSKTCUGFN-SNVBAGLBSA-N 2 2 213.325 0.278 20 0 BCADLP CN(C)C(=O)C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834704 369034055 /nfs/dbraw/zinc/03/40/55/369034055.db2.gz DFYGXMSKTCUGFN-SNVBAGLBSA-N 2 2 213.325 0.278 20 0 BCADLP CCNC(=O)C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834975 369037139 /nfs/dbraw/zinc/03/71/39/369037139.db2.gz JNWHTOPQCVOGKA-SNVBAGLBSA-N 2 2 213.325 0.326 20 0 BCADLP CCNC(=O)C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834975 369037141 /nfs/dbraw/zinc/03/71/41/369037141.db2.gz JNWHTOPQCVOGKA-SNVBAGLBSA-N 2 2 213.325 0.326 20 0 BCADLP NC(=O)[C@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000623661656 369069945 /nfs/dbraw/zinc/06/99/45/369069945.db2.gz ZMWCUCYWJJORLN-KYZUINATSA-N 2 2 234.303 0.183 20 0 BCADLP CN(CC1C[NH+](C)C1)C(=O)CCn1cc[nH+]c1 ZINC000618193825 369085114 /nfs/dbraw/zinc/08/51/14/369085114.db2.gz GBYGUKIRHRYLCD-UHFFFAOYSA-N 2 2 236.319 0.293 20 0 BCADLP C[NH2+]CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000567481798 326201166 /nfs/dbraw/zinc/20/11/66/326201166.db2.gz VHUBTDCHBRQNGK-SNVBAGLBSA-N 2 2 224.308 0.512 20 0 BCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NC1CCCC1 ZINC000107578894 369353840 /nfs/dbraw/zinc/35/38/40/369353840.db2.gz LGARYEXFVRUYPM-QWRGUYRKSA-N 2 2 237.347 0.196 20 0 BCADLP CCn1cc(CC[N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)cn1 ZINC000631861491 369470196 /nfs/dbraw/zinc/47/01/96/369470196.db2.gz CMWNBVAFCWSXFN-JQWIXIFHSA-N 2 2 222.336 0.867 20 0 BCADLP CCn1cc(CC[N@H+]2C[C@@H]([NH3+])C[C@@H]2C)cn1 ZINC000631861491 369470202 /nfs/dbraw/zinc/47/02/02/369470202.db2.gz CMWNBVAFCWSXFN-JQWIXIFHSA-N 2 2 222.336 0.867 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631000102 369515908 /nfs/dbraw/zinc/51/59/08/369515908.db2.gz AOEFXAJCJLNVFL-DCAQKATOSA-N 2 2 249.318 0.027 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1C[C@@H]2C[C@H]1CS2)C1CC1 ZINC000459789790 203369385 /nfs/dbraw/zinc/36/93/85/203369385.db2.gz FYILTHBEPJLBJV-TUAOUCFPSA-N 2 2 242.388 0.631 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1C[C@@H]2C[C@H]1CS2)C1CC1 ZINC000459789790 203369387 /nfs/dbraw/zinc/36/93/87/203369387.db2.gz FYILTHBEPJLBJV-TUAOUCFPSA-N 2 2 242.388 0.631 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CS2)C1CC1 ZINC000459789790 203369392 /nfs/dbraw/zinc/36/93/92/203369392.db2.gz FYILTHBEPJLBJV-TUAOUCFPSA-N 2 2 242.388 0.631 20 0 BCADLP C[N@H+]1CCN(C(=O)NCC2(C)CC2)[C@H](C[NH3+])C1 ZINC000568058604 326301629 /nfs/dbraw/zinc/30/16/29/326301629.db2.gz LNIYOIIGKZCZQB-SNVBAGLBSA-N 2 2 240.351 0.071 20 0 BCADLP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1[nH+]ccn1C ZINC000620599543 369949356 /nfs/dbraw/zinc/94/93/56/369949356.db2.gz GDXSMKIDQXGCLB-VHSXEESVSA-N 2 2 236.319 0.692 20 0 BCADLP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)c1[nH+]ccn1C ZINC000620599543 369949359 /nfs/dbraw/zinc/94/93/59/369949359.db2.gz GDXSMKIDQXGCLB-VHSXEESVSA-N 2 2 236.319 0.692 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453438 370045475 /nfs/dbraw/zinc/04/54/75/370045475.db2.gz KEHTUEKKCACYHL-SRVKXCTJSA-N 2 2 239.363 0.298 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]1C(C)C ZINC000568247392 326333754 /nfs/dbraw/zinc/33/37/54/326333754.db2.gz LFZAKRYMXPCFKF-CHWSQXEVSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H]1C(C)C ZINC000568247392 326333758 /nfs/dbraw/zinc/33/37/58/326333758.db2.gz LFZAKRYMXPCFKF-CHWSQXEVSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H]1C(C)C ZINC000568247392 326333760 /nfs/dbraw/zinc/33/37/60/326333760.db2.gz LFZAKRYMXPCFKF-CHWSQXEVSA-N 2 2 244.379 0.656 20 0 BCADLP CC(=O)N1CC[C@@H]([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000621387795 370330468 /nfs/dbraw/zinc/33/04/68/370330468.db2.gz OTHQWGIYCNVBKH-WCQGTBRESA-N 2 2 225.336 0.147 20 0 BCADLP CC(=O)N1CC[C@@H]([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000621387795 370330474 /nfs/dbraw/zinc/33/04/74/370330474.db2.gz OTHQWGIYCNVBKH-WCQGTBRESA-N 2 2 225.336 0.147 20 0 BCADLP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC000621699300 370446322 /nfs/dbraw/zinc/44/63/22/370446322.db2.gz RGIFOKUFQNALIT-DGCLKSJQSA-N 2 2 248.330 0.613 20 0 BCADLP Cc1nccnc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000621720077 370470791 /nfs/dbraw/zinc/47/07/91/370470791.db2.gz JDSVRJICTNPJPS-GHMZBOCLSA-N 2 2 218.304 0.436 20 0 BCADLP CCn1nccc1CC[N@H+](C)[C@H](C)C[NH3+] ZINC000621773824 370518594 /nfs/dbraw/zinc/51/85/94/370518594.db2.gz CODQAFYIANVCGB-SNVBAGLBSA-N 2 2 210.325 0.725 20 0 BCADLP CCn1nccc1CC[N@@H+](C)[C@H](C)C[NH3+] ZINC000621773824 370518598 /nfs/dbraw/zinc/51/85/98/370518598.db2.gz CODQAFYIANVCGB-SNVBAGLBSA-N 2 2 210.325 0.725 20 0 BCADLP CCn1cc(CC[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cn1 ZINC000621776377 370524260 /nfs/dbraw/zinc/52/42/60/370524260.db2.gz KAZNFHHOJLBBEM-ZYHUDNBSSA-N 2 2 222.336 0.725 20 0 BCADLP CCn1cc(CC[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cn1 ZINC000621776377 370524263 /nfs/dbraw/zinc/52/42/63/370524263.db2.gz KAZNFHHOJLBBEM-ZYHUDNBSSA-N 2 2 222.336 0.725 20 0 BCADLP CCn1cc(CC[N@@H+]2CC3CC2(C[NH3+])C3)cn1 ZINC000621776654 370525919 /nfs/dbraw/zinc/52/59/19/370525919.db2.gz RLTYHADZQIBSIH-UHFFFAOYSA-N 2 2 234.347 0.869 20 0 BCADLP CCn1cc(CC[N@H+]2CC3CC2(C[NH3+])C3)cn1 ZINC000621776654 370525926 /nfs/dbraw/zinc/52/59/26/370525926.db2.gz RLTYHADZQIBSIH-UHFFFAOYSA-N 2 2 234.347 0.869 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000621778697 370527775 /nfs/dbraw/zinc/52/77/75/370527775.db2.gz UECBRQRDBPBDOR-UTUOFQBUSA-N 3 2 209.337 0.409 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000621778697 370527779 /nfs/dbraw/zinc/52/77/79/370527779.db2.gz UECBRQRDBPBDOR-UTUOFQBUSA-N 3 2 209.337 0.409 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621779079 370528682 /nfs/dbraw/zinc/52/86/82/370528682.db2.gz ZLPUOAGUQQHWQF-BREBYQMCSA-N 2 2 237.347 0.467 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621779079 370528688 /nfs/dbraw/zinc/52/86/88/370528688.db2.gz ZLPUOAGUQQHWQF-BREBYQMCSA-N 2 2 237.347 0.467 20 0 BCADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCN1CCCC1=O)C2 ZINC000621781174 370529861 /nfs/dbraw/zinc/52/98/61/370529861.db2.gz ZXIXBHDFSNEREV-WCQYABFASA-N 2 2 237.347 0.422 20 0 BCADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC000621781174 370529868 /nfs/dbraw/zinc/52/98/68/370529868.db2.gz ZXIXBHDFSNEREV-WCQYABFASA-N 2 2 237.347 0.422 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621782351 370531983 /nfs/dbraw/zinc/53/19/83/370531983.db2.gz PDRBVRZRFNZBCT-YPMHNXCESA-N 2 2 239.363 0.668 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621782351 370531991 /nfs/dbraw/zinc/53/19/91/370531991.db2.gz PDRBVRZRFNZBCT-YPMHNXCESA-N 2 2 239.363 0.668 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1COCC1(C)C ZINC000313058185 370566966 /nfs/dbraw/zinc/56/69/66/370566966.db2.gz DIYGVWIGLYMROC-QWRGUYRKSA-N 2 2 230.352 0.314 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1COCC1(C)C ZINC000313058185 370566970 /nfs/dbraw/zinc/56/69/70/370566970.db2.gz DIYGVWIGLYMROC-QWRGUYRKSA-N 2 2 230.352 0.314 20 0 BCADLP COc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000078570883 370576421 /nfs/dbraw/zinc/57/64/21/370576421.db2.gz RUMJOQZURBORMJ-GHMZBOCLSA-N 2 2 233.315 0.741 20 0 BCADLP Cn1nccc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631889890 370997729 /nfs/dbraw/zinc/99/77/29/370997729.db2.gz KQTXETFKQIBKKE-DGCLKSJQSA-N 2 2 234.347 0.994 20 0 BCADLP Cn1nccc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631889890 370997730 /nfs/dbraw/zinc/99/77/30/370997730.db2.gz KQTXETFKQIBKKE-DGCLKSJQSA-N 2 2 234.347 0.994 20 0 BCADLP Cn1nccc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631889887 370997747 /nfs/dbraw/zinc/99/77/47/370997747.db2.gz KQTXETFKQIBKKE-AAEUAGOBSA-N 2 2 234.347 0.994 20 0 BCADLP Cn1nccc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631889887 370997748 /nfs/dbraw/zinc/99/77/48/370997748.db2.gz KQTXETFKQIBKKE-AAEUAGOBSA-N 2 2 234.347 0.994 20 0 BCADLP CC[NH+](CC)CC(=O)NCCc1cn(C)c[nH+]1 ZINC000622686066 371063896 /nfs/dbraw/zinc/06/38/96/371063896.db2.gz YAJFCLOQCWDXDR-UHFFFAOYSA-N 2 2 238.335 0.421 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+]C[C@H]2CCSC2)C1 ZINC000623759059 371085182 /nfs/dbraw/zinc/08/51/82/371085182.db2.gz YKMCECWRZIGFKT-GHMZBOCLSA-N 2 2 230.377 0.396 20 0 BCADLP O[C@@H]1CC[N@@H+](CC[NH2+]C[C@H]2CCSC2)C1 ZINC000623759059 371085185 /nfs/dbraw/zinc/08/51/85/371085185.db2.gz YKMCECWRZIGFKT-GHMZBOCLSA-N 2 2 230.377 0.396 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000623777392 371089623 /nfs/dbraw/zinc/08/96/23/371089623.db2.gz CQVHABQXDJTQDU-GXSJLCMTSA-N 2 2 221.304 0.827 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000623777392 371089629 /nfs/dbraw/zinc/08/96/29/371089629.db2.gz CQVHABQXDJTQDU-GXSJLCMTSA-N 2 2 221.304 0.827 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+]Cc2ccc(F)cc2)C1 ZINC000623836106 371120229 /nfs/dbraw/zinc/12/02/29/371120229.db2.gz LKMSXQWUEXPCPX-ZDUSSCGKSA-N 2 2 238.306 0.982 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+]C[C@H]2CCSC2)C1 ZINC000623837878 371121112 /nfs/dbraw/zinc/12/11/12/371121112.db2.gz YKMCECWRZIGFKT-MNOVXSKESA-N 2 2 230.377 0.396 20 0 BCADLP O[C@H]1CC[N@@H+](CC[NH2+]C[C@H]2CCSC2)C1 ZINC000623837878 371121116 /nfs/dbraw/zinc/12/11/16/371121116.db2.gz YKMCECWRZIGFKT-MNOVXSKESA-N 2 2 230.377 0.396 20 0 BCADLP CC(C)[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624226553 371413594 /nfs/dbraw/zinc/41/35/94/371413594.db2.gz UFCZJRKROALZAV-GHMZBOCLSA-N 2 2 200.326 0.687 20 0 BCADLP CC(C)[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624226553 371413596 /nfs/dbraw/zinc/41/35/96/371413596.db2.gz UFCZJRKROALZAV-GHMZBOCLSA-N 2 2 200.326 0.687 20 0 BCADLP COCC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624227492 371415006 /nfs/dbraw/zinc/41/50/06/371415006.db2.gz RNDPJCOGEGSZKU-GHMZBOCLSA-N 2 2 216.325 0.068 20 0 BCADLP COCC[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624227492 371415009 /nfs/dbraw/zinc/41/50/09/371415009.db2.gz RNDPJCOGEGSZKU-GHMZBOCLSA-N 2 2 216.325 0.068 20 0 BCADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)C1CCC1 ZINC000624227142 371415660 /nfs/dbraw/zinc/41/56/60/371415660.db2.gz IESSWSHKSPCWDB-CMPLNLGQSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)C1CCC1 ZINC000624227142 371415663 /nfs/dbraw/zinc/41/56/63/371415663.db2.gz IESSWSHKSPCWDB-CMPLNLGQSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCN2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000624228536 371416445 /nfs/dbraw/zinc/41/64/45/371416445.db2.gz VDJHLJIOBJBOQB-JHJVBQTASA-N 2 2 241.379 0.125 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCN2CC[C@@H](O)C2)CC[N@H+]1C ZINC000624228536 371416449 /nfs/dbraw/zinc/41/64/49/371416449.db2.gz VDJHLJIOBJBOQB-JHJVBQTASA-N 2 2 241.379 0.125 20 0 BCADLP C[C@@H]1[C@H](C(=O)N2CCc3[nH+]c[nH]c3C2)CC[N@@H+]1C ZINC000627374504 371590873 /nfs/dbraw/zinc/59/08/73/371590873.db2.gz VSLOAEDCGCHNPJ-NXEZZACHSA-N 2 2 248.330 0.635 20 0 BCADLP C[C@@H]1[C@H](C(=O)N2CCc3[nH+]c[nH]c3C2)CC[N@H+]1C ZINC000627374504 371590880 /nfs/dbraw/zinc/59/08/80/371590880.db2.gz VSLOAEDCGCHNPJ-NXEZZACHSA-N 2 2 248.330 0.635 20 0 BCADLP C(=C/C[NH+]1CCOCC1)\C[NH+]1CCOCC1 ZINC000031719403 372095888 /nfs/dbraw/zinc/09/58/88/372095888.db2.gz IHTDQZRNRVUDBN-OWOJBTEDSA-N 2 2 226.320 0.207 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC[C@@H](O)C(F)F ZINC000631217107 372236607 /nfs/dbraw/zinc/23/66/07/372236607.db2.gz RHDRSKPBMVPKKG-IWSPIJDZSA-N 2 2 222.279 0.542 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC[C@@H](O)C(F)F ZINC000631217107 372236613 /nfs/dbraw/zinc/23/66/13/372236613.db2.gz RHDRSKPBMVPKKG-IWSPIJDZSA-N 2 2 222.279 0.542 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC[C@H](O)C(F)F ZINC000631217105 372240107 /nfs/dbraw/zinc/24/01/07/372240107.db2.gz RHDRSKPBMVPKKG-HLTSFMKQSA-N 2 2 222.279 0.542 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC[C@H](O)C(F)F ZINC000631217105 372240113 /nfs/dbraw/zinc/24/01/13/372240113.db2.gz RHDRSKPBMVPKKG-HLTSFMKQSA-N 2 2 222.279 0.542 20 0 BCADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@H](O)C(F)(F)F ZINC000631716593 372520580 /nfs/dbraw/zinc/52/05/80/372520580.db2.gz CYPPGDVPNJNRDG-APPZFPTMSA-N 2 2 240.269 0.982 20 0 BCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](C)O ZINC000521863213 259554388 /nfs/dbraw/zinc/55/43/88/259554388.db2.gz TWWTWRNJHDQNQQ-QWRGUYRKSA-N 2 2 216.325 0.068 20 0 BCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](C)O ZINC000521863213 259554389 /nfs/dbraw/zinc/55/43/89/259554389.db2.gz TWWTWRNJHDQNQQ-QWRGUYRKSA-N 2 2 216.325 0.068 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1O ZINC000631810888 372584282 /nfs/dbraw/zinc/58/42/82/372584282.db2.gz HHMJVPQJMCPFQY-USZNOCQGSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1O ZINC000631810888 372584284 /nfs/dbraw/zinc/58/42/84/372584284.db2.gz HHMJVPQJMCPFQY-USZNOCQGSA-N 2 2 212.337 0.830 20 0 BCADLP [NH3+][C@H]1CCC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631820943 372593619 /nfs/dbraw/zinc/59/36/19/372593619.db2.gz KVGZLTNZSHGYHT-VHSXEESVSA-N 2 2 221.308 0.189 20 0 BCADLP [NH3+][C@H]1CCC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631820943 372593625 /nfs/dbraw/zinc/59/36/25/372593625.db2.gz KVGZLTNZSHGYHT-VHSXEESVSA-N 2 2 221.308 0.189 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000631820789 372593895 /nfs/dbraw/zinc/59/38/95/372593895.db2.gz GHJXDNFLLVHABZ-QWRGUYRKSA-N 2 2 235.335 0.579 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000631820789 372593898 /nfs/dbraw/zinc/59/38/98/372593898.db2.gz GHJXDNFLLVHABZ-QWRGUYRKSA-N 2 2 235.335 0.579 20 0 BCADLP c1nc2n(n1)[C@H](C[N@@H+]1CC[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000631822256 372598534 /nfs/dbraw/zinc/59/85/34/372598534.db2.gz YAMOEQLANAFKRQ-WOPDTQHZSA-N 2 2 247.346 0.592 20 0 BCADLP c1nc2n(n1)[C@H](C[N@H+]1CC[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000631822256 372598539 /nfs/dbraw/zinc/59/85/39/372598539.db2.gz YAMOEQLANAFKRQ-WOPDTQHZSA-N 2 2 247.346 0.592 20 0 BCADLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1ccccn1)C1CC1 ZINC000631822901 372599863 /nfs/dbraw/zinc/59/98/63/372599863.db2.gz RLOLUMKBALMSFB-ZDUSSCGKSA-N 2 2 248.330 0.737 20 0 BCADLP C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1[NH3+] ZINC000631827753 372607596 /nfs/dbraw/zinc/60/75/96/372607596.db2.gz VYXCYFILWUSWSF-OPRDCNLKSA-N 2 2 221.308 0.044 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1[NH3+] ZINC000631827753 372607599 /nfs/dbraw/zinc/60/75/99/372607599.db2.gz VYXCYFILWUSWSF-OPRDCNLKSA-N 2 2 221.308 0.044 20 0 BCADLP CC[N@H+](CC[NH3+])C[C@H]1CCc2ncnn21 ZINC000631830035 372613042 /nfs/dbraw/zinc/61/30/42/372613042.db2.gz HWDFUEXYZJQMBT-SECBINFHSA-N 2 2 209.297 0.046 20 0 BCADLP CC[N@@H+](CC[NH3+])C[C@H]1CCc2ncnn21 ZINC000631830035 372613046 /nfs/dbraw/zinc/61/30/46/372613046.db2.gz HWDFUEXYZJQMBT-SECBINFHSA-N 2 2 209.297 0.046 20 0 BCADLP [NH3+][C@@H]1CCCCC[N@H+](CCN2CCOCC2)C1 ZINC000631833919 372617561 /nfs/dbraw/zinc/61/75/61/372617561.db2.gz LMGOJPRNGWNXKP-CYBMUJFWSA-N 2 2 241.379 0.522 20 0 BCADLP [NH3+][C@@H]1CCCCC[N@@H+](CCN2CCOCC2)C1 ZINC000631833919 372617565 /nfs/dbraw/zinc/61/75/65/372617565.db2.gz LMGOJPRNGWNXKP-CYBMUJFWSA-N 2 2 241.379 0.522 20 0 BCADLP [NH3+][C@@H]1CCCCCN(CC[NH+]2CCOCC2)C1 ZINC000631833919 372617568 /nfs/dbraw/zinc/61/75/68/372617568.db2.gz LMGOJPRNGWNXKP-CYBMUJFWSA-N 2 2 241.379 0.522 20 0 BCADLP CN(C(=O)C[N@@H+]1CCCCC[C@H]([NH3+])C1)C1CC1 ZINC000631834011 372617646 /nfs/dbraw/zinc/61/76/46/372617646.db2.gz NFFXLIMDNDSHOH-NSHDSACASA-N 2 2 239.363 0.811 20 0 BCADLP CN(C(=O)C[N@H+]1CCCCC[C@H]([NH3+])C1)C1CC1 ZINC000631834011 372617649 /nfs/dbraw/zinc/61/76/49/372617649.db2.gz NFFXLIMDNDSHOH-NSHDSACASA-N 2 2 239.363 0.811 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631835777 372622455 /nfs/dbraw/zinc/62/24/55/372622455.db2.gz XIBQPZIDGURFAG-MNOVXSKESA-N 2 2 227.352 0.666 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631835777 372622463 /nfs/dbraw/zinc/62/24/63/372622463.db2.gz XIBQPZIDGURFAG-MNOVXSKESA-N 2 2 227.352 0.666 20 0 BCADLP [NH3+][C@H]1CCCCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000631835277 372622509 /nfs/dbraw/zinc/62/25/09/372622509.db2.gz QCYWVGFHHCYBEG-LBPRGKRZSA-N 2 2 239.363 0.812 20 0 BCADLP [NH3+][C@H]1CCCCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000631835277 372622514 /nfs/dbraw/zinc/62/25/14/372622514.db2.gz QCYWVGFHHCYBEG-LBPRGKRZSA-N 2 2 239.363 0.812 20 0 BCADLP CN1CC[C@@H]([N@@H+]2CCCCC[C@H]([NH3+])C2)C1=O ZINC000631835600 372622534 /nfs/dbraw/zinc/62/25/34/372622534.db2.gz VQSTXBUZJRRJNX-WDEREUQCSA-N 2 2 225.336 0.420 20 0 BCADLP CN1CC[C@@H]([N@H+]2CCCCC[C@H]([NH3+])C2)C1=O ZINC000631835600 372622540 /nfs/dbraw/zinc/62/25/40/372622540.db2.gz VQSTXBUZJRRJNX-WDEREUQCSA-N 2 2 225.336 0.420 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCN1CCCC1=O ZINC000631858939 372658415 /nfs/dbraw/zinc/65/84/15/372658415.db2.gz GNXFGGKEQUDYIC-ZJUUUORDSA-N 2 2 211.309 0.030 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCN1CCCC1=O ZINC000631858939 372658418 /nfs/dbraw/zinc/65/84/18/372658418.db2.gz GNXFGGKEQUDYIC-ZJUUUORDSA-N 2 2 211.309 0.030 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC000631860241 372659332 /nfs/dbraw/zinc/65/93/32/372659332.db2.gz WKUHZFIZYPAAGP-GXSJLCMTSA-N 2 2 221.304 0.307 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1Cc1ccn(C)c(=O)c1 ZINC000631860241 372659336 /nfs/dbraw/zinc/65/93/36/372659336.db2.gz WKUHZFIZYPAAGP-GXSJLCMTSA-N 2 2 221.304 0.307 20 0 BCADLP COc1cc[nH+]c(CN2C[C@@H]3C[C@H]2C[NH2+]3)c1OC ZINC000631847852 372645200 /nfs/dbraw/zinc/64/52/00/372645200.db2.gz FTHXMPOWVOSRKX-UWVGGRQHSA-N 2 2 249.314 0.645 20 0 BCADLP CC(C)N1CCC[C@H]([N@@H+]2C[C@H]([NH3+])C[C@@H]2C)C1=O ZINC000631861313 372662160 /nfs/dbraw/zinc/66/21/60/372662160.db2.gz YZLAMHAIKHAMND-TUAOUCFPSA-N 2 2 239.363 0.807 20 0 BCADLP CC(C)N1CCC[C@H]([N@H+]2C[C@H]([NH3+])C[C@@H]2C)C1=O ZINC000631861313 372662162 /nfs/dbraw/zinc/66/21/62/372662162.db2.gz YZLAMHAIKHAMND-TUAOUCFPSA-N 2 2 239.363 0.807 20 0 BCADLP CC(C)COCC[NH+]1CCC([NH2+]CCO)CC1 ZINC000631862384 372663425 /nfs/dbraw/zinc/66/34/25/372663425.db2.gz IIULTSYGMLPDDU-UHFFFAOYSA-N 2 2 244.379 0.705 20 0 BCADLP Cc1noc(CCC[N@H+]2C[C@H]([NH3+])C[C@@H]2C)n1 ZINC000631862817 372664943 /nfs/dbraw/zinc/66/49/43/372664943.db2.gz UEZBMIRDXSPKRF-WCBMZHEXSA-N 2 2 224.308 0.732 20 0 BCADLP Cc1noc(CCC[N@@H+]2C[C@H]([NH3+])C[C@@H]2C)n1 ZINC000631862817 372664946 /nfs/dbraw/zinc/66/49/46/372664946.db2.gz UEZBMIRDXSPKRF-WCBMZHEXSA-N 2 2 224.308 0.732 20 0 BCADLP Cc1cc(C[NH+]2CCC([NH2+]CCO)CC2)ccn1 ZINC000631863368 372666607 /nfs/dbraw/zinc/66/66/07/372666607.db2.gz ZMZJWIAKPZSEJT-UHFFFAOYSA-N 2 2 249.358 0.936 20 0 BCADLP CN(C)C(=O)CC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867548 372669548 /nfs/dbraw/zinc/66/95/48/372669548.db2.gz WQZXEHAGTVLYPA-PWSUYJOCSA-N 2 2 225.336 0.196 20 0 BCADLP FC(F)COCC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867725 372669630 /nfs/dbraw/zinc/66/96/30/372669630.db2.gz GVTSDJFLVYXGLW-KOLCDFICSA-N 2 2 234.290 1.000 20 0 BCADLP c1ncn(CC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)n1 ZINC000631888828 372681843 /nfs/dbraw/zinc/68/18/43/372681843.db2.gz BPVHSQUEDRFVQQ-VXGBXAGGSA-N 2 2 235.335 0.352 20 0 BCADLP c1ncn(CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)n1 ZINC000631888828 372681847 /nfs/dbraw/zinc/68/18/47/372681847.db2.gz BPVHSQUEDRFVQQ-VXGBXAGGSA-N 2 2 235.335 0.352 20 0 BCADLP O=C(NCC[NH+]1CCC1)[C@@H]1CCCc2[nH+]ccn21 ZINC000355353215 182185722 /nfs/dbraw/zinc/18/57/22/182185722.db2.gz GGAKYOAQMRTBNT-NSHDSACASA-N 2 2 248.330 0.582 20 0 BCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCC[NH3+])[C@H](C)C1 ZINC000336741145 170010327 /nfs/dbraw/zinc/01/03/27/170010327.db2.gz MYNRJZUWDGZZLX-VXGBXAGGSA-N 3 2 213.369 0.997 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250247404 182273788 /nfs/dbraw/zinc/27/37/88/182273788.db2.gz NBODEASZYVWBHB-MXWKQRLJSA-N 2 2 248.330 0.947 20 0 BCADLP CCOC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229088453 170219968 /nfs/dbraw/zinc/21/99/68/170219968.db2.gz RNLUBVNQUVMYIH-ZJUUUORDSA-N 2 2 214.309 0.466 20 0 BCADLP CCOC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229088453 170219971 /nfs/dbraw/zinc/21/99/71/170219971.db2.gz RNLUBVNQUVMYIH-ZJUUUORDSA-N 2 2 214.309 0.466 20 0 BCADLP OCC1([NH2+]CCn2cc[nH+]c2)CCCC1 ZINC000308961199 183038271 /nfs/dbraw/zinc/03/82/71/183038271.db2.gz ZIKRSESBZCFEPY-UHFFFAOYSA-N 2 2 209.293 0.778 20 0 BCADLP OCCOCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266921499 183082629 /nfs/dbraw/zinc/08/26/29/183082629.db2.gz MDLUBEZYOUWERA-LLVKDONJSA-N 2 2 239.319 0.598 20 0 BCADLP OCCOCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266921499 183082633 /nfs/dbraw/zinc/08/26/33/183082633.db2.gz MDLUBEZYOUWERA-LLVKDONJSA-N 2 2 239.319 0.598 20 0 BCADLP CCCC[C@H]([NH3+])C(=O)N(C)Cc1[nH+]ccn1C ZINC000037823028 169006254 /nfs/dbraw/zinc/00/62/54/169006254.db2.gz NRWWDEZTISIDOZ-JTQLQIEISA-N 2 2 238.335 0.896 20 0 BCADLP CCCC[C@H]([NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000037619390 169007624 /nfs/dbraw/zinc/00/76/24/169007624.db2.gz PYENNXVIAFAGJE-NSHDSACASA-N 2 2 238.335 0.907 20 0 BCADLP O[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000339778855 183191641 /nfs/dbraw/zinc/19/16/41/183191641.db2.gz QMKLWXOJDQPFQV-LLVKDONJSA-N 2 2 209.293 0.730 20 0 BCADLP O[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000339778855 183191642 /nfs/dbraw/zinc/19/16/42/183191642.db2.gz QMKLWXOJDQPFQV-LLVKDONJSA-N 2 2 209.293 0.730 20 0 BCADLP O[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000132492245 183240402 /nfs/dbraw/zinc/24/04/02/183240402.db2.gz IFEQFDIIQZGRKS-NSHDSACASA-N 2 2 217.272 0.901 20 0 BCADLP O[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000132492245 183240403 /nfs/dbraw/zinc/24/04/03/183240403.db2.gz IFEQFDIIQZGRKS-NSHDSACASA-N 2 2 217.272 0.901 20 0 BCADLP O[C@H]1COC[C@@H]1[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000340286071 183246976 /nfs/dbraw/zinc/24/69/76/183246976.db2.gz LINOSMQGZGISAJ-STQMWFEESA-N 2 2 240.347 0.306 20 0 BCADLP c1c[nH+]c(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[nH]1 ZINC000113616619 183324648 /nfs/dbraw/zinc/32/46/48/183324648.db2.gz SBGUXGWNYLGXLL-GHMZBOCLSA-N 2 2 236.319 0.363 20 0 BCADLP c1c[nH+]c(CNC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)[nH]1 ZINC000113616619 183324650 /nfs/dbraw/zinc/32/46/50/183324650.db2.gz SBGUXGWNYLGXLL-GHMZBOCLSA-N 2 2 236.319 0.363 20 0 BCADLP c1c[nH]c(C[NH2+]CCC[NH+]2CCCC2)n1 ZINC000049714673 183325037 /nfs/dbraw/zinc/32/50/37/183325037.db2.gz IMTQSZSGWISOCI-UHFFFAOYSA-N 2 2 208.309 0.985 20 0 BCADLP c1c[nH+]c(CNCCC[NH+]2CCCC2)[nH]1 ZINC000049714673 183325038 /nfs/dbraw/zinc/32/50/38/183325038.db2.gz IMTQSZSGWISOCI-UHFFFAOYSA-N 2 2 208.309 0.985 20 0 BCADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCn3cncn3)C2)[nH]1 ZINC000267414264 183326566 /nfs/dbraw/zinc/32/65/66/183326566.db2.gz IWGQPCPKABPNSW-NSHDSACASA-N 2 2 246.318 0.881 20 0 BCADLP c1c[nH+]c([C@H]2CCC[N@H+](CCn3cncn3)C2)[nH]1 ZINC000267414264 183326568 /nfs/dbraw/zinc/32/65/68/183326568.db2.gz IWGQPCPKABPNSW-NSHDSACASA-N 2 2 246.318 0.881 20 0 BCADLP c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)on1 ZINC000335565376 183345493 /nfs/dbraw/zinc/34/54/93/183345493.db2.gz JQNUZDAVBRXTNP-VHSXEESVSA-N 2 2 207.277 0.716 20 0 BCADLP c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)on1 ZINC000335565376 183345495 /nfs/dbraw/zinc/34/54/95/183345495.db2.gz JQNUZDAVBRXTNP-VHSXEESVSA-N 2 2 207.277 0.716 20 0 BCADLP CCCNC(=[NH2+])NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366458777 169211114 /nfs/dbraw/zinc/21/11/14/169211114.db2.gz HBCLOUFONDXEMC-NSHDSACASA-N 2 2 240.351 0.374 20 0 BCADLP CCCNC(=[NH2+])NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366458777 169211117 /nfs/dbraw/zinc/21/11/17/169211117.db2.gz HBCLOUFONDXEMC-NSHDSACASA-N 2 2 240.351 0.374 20 0 BCADLP CCCNC(=[NH2+])NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366458763 169211632 /nfs/dbraw/zinc/21/16/32/169211632.db2.gz HBCLOUFONDXEMC-LLVKDONJSA-N 2 2 240.351 0.374 20 0 BCADLP CCCNC(=[NH2+])NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366458763 169211634 /nfs/dbraw/zinc/21/16/34/169211634.db2.gz HBCLOUFONDXEMC-LLVKDONJSA-N 2 2 240.351 0.374 20 0 BCADLP CCCNC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746957 169217958 /nfs/dbraw/zinc/21/79/58/169217958.db2.gz SPQVAOQHOZOLAQ-FOSCPWQOSA-N 2 2 239.363 0.727 20 0 BCADLP CCCNC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746957 169217959 /nfs/dbraw/zinc/21/79/59/169217959.db2.gz SPQVAOQHOZOLAQ-FOSCPWQOSA-N 2 2 239.363 0.727 20 0 BCADLP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199786 169246551 /nfs/dbraw/zinc/24/65/51/169246551.db2.gz SZZKHKNYSKHJFB-NWDGAFQWSA-N 2 2 241.379 0.785 20 0 BCADLP CCCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199786 169246552 /nfs/dbraw/zinc/24/65/52/169246552.db2.gz SZZKHKNYSKHJFB-NWDGAFQWSA-N 2 2 241.379 0.785 20 0 BCADLP CCC[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)[NH+](C)C ZINC000354524220 169344253 /nfs/dbraw/zinc/34/42/53/169344253.db2.gz WUVMGYXCJVTUPW-RYUDHWBXSA-N 2 2 241.379 0.879 20 0 BCADLP CCC[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)[NH+](C)C ZINC000354524220 169344255 /nfs/dbraw/zinc/34/42/55/169344255.db2.gz WUVMGYXCJVTUPW-RYUDHWBXSA-N 2 2 241.379 0.879 20 0 BCADLP CCC[C@@H](C(=O)NCc1c[nH+]c[nH]1)[NH+](C)C ZINC000330519474 169345156 /nfs/dbraw/zinc/34/51/56/169345156.db2.gz HAPQXIMGOZCYGO-JTQLQIEISA-N 2 2 224.308 0.756 20 0 BCADLP CCC[C@@H](C(=O)NCc1c[nH]c[nH+]1)[NH+](C)C ZINC000330519474 169345157 /nfs/dbraw/zinc/34/51/57/169345157.db2.gz HAPQXIMGOZCYGO-JTQLQIEISA-N 2 2 224.308 0.756 20 0 BCADLP c1cn2c(n1)[C@H]([NH2+]CCn1cc[nH+]c1)CC2 ZINC000345346681 183471215 /nfs/dbraw/zinc/47/12/15/183471215.db2.gz KKWWLUDLNLYWRA-SNVBAGLBSA-N 2 2 217.276 0.814 20 0 BCADLP CCC[C@@H]([NH3+])C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000036999444 169391164 /nfs/dbraw/zinc/39/11/64/169391164.db2.gz DXILIYGNMSSOHU-VHSXEESVSA-N 2 2 224.308 0.515 20 0 BCADLP COC[C@@H]1C[N@H+](CCn2cc[nH+]c2)CCO1 ZINC000179250674 134319352 /nfs/dbraw/zinc/31/93/52/134319352.db2.gz IRVBXJSIGRRJJP-NSHDSACASA-N 2 2 225.292 0.230 20 0 BCADLP COC[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CCO1 ZINC000179250674 134319353 /nfs/dbraw/zinc/31/93/53/134319353.db2.gz IRVBXJSIGRRJJP-NSHDSACASA-N 2 2 225.292 0.230 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072857991 535453448 /nfs/dbraw/zinc/45/34/48/535453448.db2.gz FERPPJFXCBMLNK-MNOVXSKESA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072857991 535453455 /nfs/dbraw/zinc/45/34/55/535453455.db2.gz FERPPJFXCBMLNK-MNOVXSKESA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@@H](C(N)=O)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000072857991 535453460 /nfs/dbraw/zinc/45/34/60/535453460.db2.gz FERPPJFXCBMLNK-MNOVXSKESA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@@H](C(N)=O)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000072857991 535453463 /nfs/dbraw/zinc/45/34/63/535453463.db2.gz FERPPJFXCBMLNK-MNOVXSKESA-N 2 2 227.352 0.524 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648149356 383881282 /nfs/dbraw/zinc/88/12/82/383881282.db2.gz VJMYKQCHIWIJHC-BBBLOLIVSA-N 2 2 234.303 0.129 20 0 BCADLP Cn1cc[nH+]c1CN1CC[NH2+]C[C@H]1C(F)F ZINC000569362415 383905689 /nfs/dbraw/zinc/90/56/89/383905689.db2.gz FYSBQMBJPXYCIN-QMMMGPOBSA-N 2 2 230.262 0.459 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)CO1 ZINC000647214062 383984062 /nfs/dbraw/zinc/98/40/62/383984062.db2.gz LROOUJWLSKYZBS-UPJWGTAASA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)CO1 ZINC000647214062 383984066 /nfs/dbraw/zinc/98/40/66/383984066.db2.gz LROOUJWLSKYZBS-UPJWGTAASA-N 2 2 242.363 0.600 20 0 BCADLP CC(C)[C@H]([NH3+])C(=O)NCc1[nH+]ccn1C ZINC000070854730 383957701 /nfs/dbraw/zinc/95/77/01/383957701.db2.gz PZIWGNHTTAMVRB-VIFPVBQESA-N 2 2 210.281 0.020 20 0 BCADLP CCC[C@H](O)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000569379798 383967934 /nfs/dbraw/zinc/96/79/34/383967934.db2.gz RKKFTCMWDZOWSH-NSHDSACASA-N 2 2 211.309 0.979 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]Cc2cnn(C)c2)CC[N@@H+]1C ZINC000090720870 384069906 /nfs/dbraw/zinc/06/99/06/384069906.db2.gz JQHFEVHOAVWOPS-ZYHUDNBSSA-N 2 2 222.336 0.992 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]Cc2cnn(C)c2)CC[N@H+]1C ZINC000090720870 384069916 /nfs/dbraw/zinc/06/99/16/384069916.db2.gz JQHFEVHOAVWOPS-ZYHUDNBSSA-N 2 2 222.336 0.992 20 0 BCADLP COC(=O)C[N@H+](CCn1cc[nH+]c1)C(C)C ZINC000050063514 384105838 /nfs/dbraw/zinc/10/58/38/384105838.db2.gz MYJGAVZVYNGBSE-UHFFFAOYSA-N 2 2 225.292 0.767 20 0 BCADLP COC(=O)C[N@@H+](CCn1cc[nH+]c1)C(C)C ZINC000050063514 384105844 /nfs/dbraw/zinc/10/58/44/384105844.db2.gz MYJGAVZVYNGBSE-UHFFFAOYSA-N 2 2 225.292 0.767 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000070646657 384127465 /nfs/dbraw/zinc/12/74/65/384127465.db2.gz GHMFVZCMLFVQLW-RKDXNWHRSA-N 2 2 222.292 0.543 20 0 BCADLP C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449392344 384156227 /nfs/dbraw/zinc/15/62/27/384156227.db2.gz JWHGTSQQLYXULC-YNEHKIRRSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449392344 384156235 /nfs/dbraw/zinc/15/62/35/384156235.db2.gz JWHGTSQQLYXULC-YNEHKIRRSA-N 2 2 242.363 0.600 20 0 BCADLP COC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449397731 384175695 /nfs/dbraw/zinc/17/56/95/384175695.db2.gz VYROPXMPTSAOPR-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP COC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449397731 384175699 /nfs/dbraw/zinc/17/56/99/384175699.db2.gz VYROPXMPTSAOPR-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP Cc1cc(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc[nH+]1 ZINC000333133133 384230330 /nfs/dbraw/zinc/23/03/30/384230330.db2.gz IDLNQXKDHSPIHA-URLYPYJESA-N 2 2 232.287 0.151 20 0 BCADLP [NH3+]Cc1noc(C2([NH3+])Cc3ccccc3C2)n1 ZINC000647161070 384218904 /nfs/dbraw/zinc/21/89/04/384218904.db2.gz GQMLCMSBQWHNFT-UHFFFAOYSA-N 2 2 230.271 0.481 20 0 BCADLP C[NH+](C)C[C@@](C)(O)CNc1cccc[nH+]1 ZINC000133047123 384224061 /nfs/dbraw/zinc/22/40/61/384224061.db2.gz OXUHGFUPFAHNEP-NSHDSACASA-N 2 2 209.293 0.806 20 0 BCADLP CC[C@@H]1C[N@H+](C)CCN1Cc1c[nH+]cn1C ZINC000560614189 384255450 /nfs/dbraw/zinc/25/54/50/384255450.db2.gz BLYVARHRLRDISH-LLVKDONJSA-N 2 2 222.336 0.946 20 0 BCADLP CC[C@@H]1C[N@@H+](C)CCN1Cc1c[nH+]cn1C ZINC000560614189 384255458 /nfs/dbraw/zinc/25/54/58/384255458.db2.gz BLYVARHRLRDISH-LLVKDONJSA-N 2 2 222.336 0.946 20 0 BCADLP C[C@H](C[NH+]1CCOCC1)N1CCC([NH3+])CC1 ZINC000564988115 384322790 /nfs/dbraw/zinc/32/27/90/384322790.db2.gz KIOPSVBZSMOYDR-LLVKDONJSA-N 2 2 227.352 0.130 20 0 BCADLP CC[C@@H](CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000069717980 384299946 /nfs/dbraw/zinc/29/99/46/384299946.db2.gz NOOPXDQGMOPQHD-VIFPVBQESA-N 2 2 226.324 0.347 20 0 BCADLP C[C@H]([NH3+])C(=O)NCc1ccc[nH+]c1N(C)C ZINC000083928451 384348315 /nfs/dbraw/zinc/34/83/15/384348315.db2.gz UHBYBEKSRRTRBP-QMMMGPOBSA-N 2 2 222.292 0.111 20 0 BCADLP O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCCC[NH2+]1 ZINC000084081067 384360255 /nfs/dbraw/zinc/36/02/55/384360255.db2.gz VKUCPYQXYKKONI-VIFPVBQESA-N 2 2 208.265 0.168 20 0 BCADLP O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCCC[NH2+]1 ZINC000084081067 384360261 /nfs/dbraw/zinc/36/02/61/384360261.db2.gz VKUCPYQXYKKONI-VIFPVBQESA-N 2 2 208.265 0.168 20 0 BCADLP C[C@@H](NC[C@]1(O)CC[N@H+](C)C1)c1[nH]cc[nH+]1 ZINC000330364053 384363530 /nfs/dbraw/zinc/36/35/30/384363530.db2.gz COYIDTUTTJATSV-MWLCHTKSSA-N 2 2 224.308 0.127 20 0 BCADLP C[C@@H](NC[C@]1(O)CC[N@@H+](C)C1)c1[nH]cc[nH+]1 ZINC000330364053 384363535 /nfs/dbraw/zinc/36/35/35/384363535.db2.gz COYIDTUTTJATSV-MWLCHTKSSA-N 2 2 224.308 0.127 20 0 BCADLP Cc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)nn1C ZINC000647509989 384363701 /nfs/dbraw/zinc/36/37/01/384363701.db2.gz VQUFFNXXOUTVGF-GHMZBOCLSA-N 2 2 222.336 0.898 20 0 BCADLP Cc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)nn1C ZINC000647509989 384363703 /nfs/dbraw/zinc/36/37/03/384363703.db2.gz VQUFFNXXOUTVGF-GHMZBOCLSA-N 2 2 222.336 0.898 20 0 BCADLP Cc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)nn1C ZINC000647509990 384363742 /nfs/dbraw/zinc/36/37/42/384363742.db2.gz VQUFFNXXOUTVGF-MNOVXSKESA-N 2 2 222.336 0.898 20 0 BCADLP Cc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)nn1C ZINC000647509990 384363747 /nfs/dbraw/zinc/36/37/47/384363747.db2.gz VQUFFNXXOUTVGF-MNOVXSKESA-N 2 2 222.336 0.898 20 0 BCADLP Cc1c(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cnn1C ZINC000335642760 384419264 /nfs/dbraw/zinc/41/92/64/384419264.db2.gz IIWWWWUTWZKBFP-BXKDBHETSA-N 2 2 222.336 0.959 20 0 BCADLP O=C1CCN(C[NH2+]CCn2cc[nH+]c2)CC1 ZINC000275834133 384420194 /nfs/dbraw/zinc/42/01/94/384420194.db2.gz SUJZNXLSPVCWRT-UHFFFAOYSA-N 2 2 222.292 0.095 20 0 BCADLP Cc1n[nH]cc1C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000335609140 384384067 /nfs/dbraw/zinc/38/40/67/384384067.db2.gz ZGFLRAYIIHNVAH-KWQFWETISA-N 2 2 208.309 0.758 20 0 BCADLP Cc1n[nH]cc1C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000335609140 384384072 /nfs/dbraw/zinc/38/40/72/384384072.db2.gz ZGFLRAYIIHNVAH-KWQFWETISA-N 2 2 208.309 0.758 20 0 BCADLP CC[N@H+](CC(=O)N(C)C)C[C@@]1(C)CC[NH2+]C1 ZINC000647513936 384427708 /nfs/dbraw/zinc/42/77/08/384427708.db2.gz VGUZIHLOYVXYSL-LBPRGKRZSA-N 2 2 227.352 0.396 20 0 BCADLP CC[N@@H+](CC(=O)N(C)C)C[C@@]1(C)CC[NH2+]C1 ZINC000647513936 384427716 /nfs/dbraw/zinc/42/77/16/384427716.db2.gz VGUZIHLOYVXYSL-LBPRGKRZSA-N 2 2 227.352 0.396 20 0 BCADLP [NH3+]C[C@@H]1c2ccccc2CC[N@H+]1CCO ZINC000082640163 384515471 /nfs/dbraw/zinc/51/54/71/384515471.db2.gz ISUDOLMPVIUMJK-GFCCVEGCSA-N 2 2 206.289 0.537 20 0 BCADLP [NH3+]C[C@@H]1c2ccccc2CC[N@@H+]1CCO ZINC000082640163 384515476 /nfs/dbraw/zinc/51/54/76/384515476.db2.gz ISUDOLMPVIUMJK-GFCCVEGCSA-N 2 2 206.289 0.537 20 0 BCADLP C[NH+](C)[C@H]1CCCN(CCn2cc[nH+]c2)C1 ZINC000161772217 384525311 /nfs/dbraw/zinc/52/53/11/384525311.db2.gz KOALWBDZJXXSJX-LBPRGKRZSA-N 2 2 222.336 0.909 20 0 BCADLP CC(C)[C@@H]([NH3+])c1cn(Cc2[nH+]ccn2C)nn1 ZINC000305970264 384559424 /nfs/dbraw/zinc/55/94/24/384559424.db2.gz YPWDELSOCFSGDD-LLVKDONJSA-N 2 2 234.307 0.716 20 0 BCADLP Cc1c[nH+]c(CNCC[NH+]2CCCC2)n1C ZINC000309728547 384559930 /nfs/dbraw/zinc/55/99/30/384559930.db2.gz YWLGKGRWZQRXPA-UHFFFAOYSA-N 2 2 222.336 0.914 20 0 BCADLP OC[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000293019380 384577388 /nfs/dbraw/zinc/57/73/88/384577388.db2.gz FIEASECTPHHFFP-GFCCVEGCSA-N 2 2 223.320 0.978 20 0 BCADLP OC[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000293019380 384577393 /nfs/dbraw/zinc/57/73/93/384577393.db2.gz FIEASECTPHHFFP-GFCCVEGCSA-N 2 2 223.320 0.978 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643065815 384580023 /nfs/dbraw/zinc/58/00/23/384580023.db2.gz GWDZSJLPSBUSGD-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643065815 384580034 /nfs/dbraw/zinc/58/00/34/384580034.db2.gz GWDZSJLPSBUSGD-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP COCCCCC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000238332908 384565073 /nfs/dbraw/zinc/56/50/73/384565073.db2.gz RGDYHFNUJHDKQN-NSHDSACASA-N 2 2 216.325 0.463 20 0 BCADLP COCCCCC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000238332908 384565079 /nfs/dbraw/zinc/56/50/79/384565079.db2.gz RGDYHFNUJHDKQN-NSHDSACASA-N 2 2 216.325 0.463 20 0 BCADLP C[N@H+](Cc1cccc(C(N)=O)c1)[C@H](C[NH3+])C1CC1 ZINC000160085789 384613578 /nfs/dbraw/zinc/61/35/78/384613578.db2.gz LXPMHEJMGPGRFY-CYBMUJFWSA-N 2 2 247.342 0.955 20 0 BCADLP C[N@@H+](Cc1cccc(C(N)=O)c1)[C@H](C[NH3+])C1CC1 ZINC000160085789 384613582 /nfs/dbraw/zinc/61/35/82/384613582.db2.gz LXPMHEJMGPGRFY-CYBMUJFWSA-N 2 2 247.342 0.955 20 0 BCADLP CC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000647529994 384615472 /nfs/dbraw/zinc/61/54/72/384615472.db2.gz AJSDQUQLBFGKRN-NWDGAFQWSA-N 2 2 230.352 0.194 20 0 BCADLP CC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000647529994 384615481 /nfs/dbraw/zinc/61/54/81/384615481.db2.gz AJSDQUQLBFGKRN-NWDGAFQWSA-N 2 2 230.352 0.194 20 0 BCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccco1 ZINC000037890660 384628277 /nfs/dbraw/zinc/62/82/77/384628277.db2.gz RUCBMYHIAGWWLV-NXEZZACHSA-N 2 2 212.293 0.853 20 0 BCADLP O=C1C[N@H+](CCn2cc[nH+]c2)[C@H]2CCCC[C@H]2N1 ZINC000162259206 384592305 /nfs/dbraw/zinc/59/23/05/384592305.db2.gz RTUHWUCQNCYAAY-NEPJUHHUSA-N 2 2 248.330 0.626 20 0 BCADLP O=C1C[N@@H+](CCn2cc[nH+]c2)[C@H]2CCCC[C@H]2N1 ZINC000162259206 384592309 /nfs/dbraw/zinc/59/23/09/384592309.db2.gz RTUHWUCQNCYAAY-NEPJUHHUSA-N 2 2 248.330 0.626 20 0 BCADLP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cnn(C)c1 ZINC000154247741 384598060 /nfs/dbraw/zinc/59/80/60/384598060.db2.gz SATAKMOHDQYRBV-RYUDHWBXSA-N 2 2 240.351 0.383 20 0 BCADLP C[C@@H]1[C@H](C)OCC[N@@H+]1CCn1cc[nH+]c1 ZINC000162281080 384598863 /nfs/dbraw/zinc/59/88/63/384598863.db2.gz SPIDKFMSBCAZPH-MNOVXSKESA-N 2 2 209.293 0.992 20 0 BCADLP C[C@@H]1[C@H](C)OCC[N@H+]1CCn1cc[nH+]c1 ZINC000162281080 384598870 /nfs/dbraw/zinc/59/88/70/384598870.db2.gz SPIDKFMSBCAZPH-MNOVXSKESA-N 2 2 209.293 0.992 20 0 BCADLP Cc1n[nH]cc1C[NH2+]CCn1cc[nH+]c1 ZINC000041043106 384651149 /nfs/dbraw/zinc/65/11/49/384651149.db2.gz KTCGMQGTTAOIGL-UHFFFAOYSA-N 2 2 205.265 0.704 20 0 BCADLP c1nc2ccccn2c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000647535593 384652232 /nfs/dbraw/zinc/65/22/32/384652232.db2.gz VMKFTWJNTTUAPC-TXEJJXNPSA-N 2 2 242.326 0.986 20 0 BCADLP c1nc2ccccn2c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000647535593 384652236 /nfs/dbraw/zinc/65/22/36/384652236.db2.gz VMKFTWJNTTUAPC-TXEJJXNPSA-N 2 2 242.326 0.986 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NC1CCCC1 ZINC000124586392 384655414 /nfs/dbraw/zinc/65/54/14/384655414.db2.gz ZYAIFNHCVWWOKP-QWRGUYRKSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NC1CCCC1 ZINC000124586392 384655424 /nfs/dbraw/zinc/65/54/24/384655424.db2.gz ZYAIFNHCVWWOKP-QWRGUYRKSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647231418 384658180 /nfs/dbraw/zinc/65/81/80/384658180.db2.gz XXCSVRGBVRXZAC-QWRGUYRKSA-N 2 2 237.351 0.287 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647231418 384658184 /nfs/dbraw/zinc/65/81/84/384658184.db2.gz XXCSVRGBVRXZAC-QWRGUYRKSA-N 2 2 237.351 0.287 20 0 BCADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc[nH]n2)C1 ZINC000044533579 384658438 /nfs/dbraw/zinc/65/84/38/384658438.db2.gz MZDXGTZSGRFKCF-JTQLQIEISA-N 2 2 208.309 0.841 20 0 BCADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc[nH]n2)C1 ZINC000044533579 384658446 /nfs/dbraw/zinc/65/84/46/384658446.db2.gz MZDXGTZSGRFKCF-JTQLQIEISA-N 2 2 208.309 0.841 20 0 BCADLP C[C@@H]1[C@H](C)N(CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000357001822 384702002 /nfs/dbraw/zinc/70/20/02/384702002.db2.gz MUUPVKUFIFNHMM-OLZOCXBDSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1[C@H](C)N(CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000357001822 384702007 /nfs/dbraw/zinc/70/20/07/384702007.db2.gz MUUPVKUFIFNHMM-OLZOCXBDSA-N 2 2 241.379 0.343 20 0 BCADLP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)nn1C ZINC000647542320 384705711 /nfs/dbraw/zinc/70/57/11/384705711.db2.gz TWKXAGGTIPLCHZ-DGCLKSJQSA-N 2 2 234.347 0.912 20 0 BCADLP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)nn1C ZINC000647542320 384705718 /nfs/dbraw/zinc/70/57/18/384705718.db2.gz TWKXAGGTIPLCHZ-DGCLKSJQSA-N 2 2 234.347 0.912 20 0 BCADLP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)nn1C ZINC000647542319 384706072 /nfs/dbraw/zinc/70/60/72/384706072.db2.gz TWKXAGGTIPLCHZ-AAEUAGOBSA-N 2 2 234.347 0.912 20 0 BCADLP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)nn1C ZINC000647542319 384706081 /nfs/dbraw/zinc/70/60/81/384706081.db2.gz TWKXAGGTIPLCHZ-AAEUAGOBSA-N 2 2 234.347 0.912 20 0 BCADLP Nc1ccc(NC(=O)C[C@@H]2CCC[NH2+]2)c[nH+]1 ZINC000151688383 384706082 /nfs/dbraw/zinc/70/60/82/384706082.db2.gz PXUHYHVYKBBNEY-QMMMGPOBSA-N 2 2 220.276 0.744 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000086886598 384709762 /nfs/dbraw/zinc/70/97/62/384709762.db2.gz VKUABSKEZAGRPK-NXEZZACHSA-N 2 2 213.325 0.182 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000086886598 384709768 /nfs/dbraw/zinc/70/97/68/384709768.db2.gz VKUABSKEZAGRPK-NXEZZACHSA-N 2 2 213.325 0.182 20 0 BCADLP CCCNC(=O)C[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000315894243 384718425 /nfs/dbraw/zinc/71/84/25/384718425.db2.gz ABWSUNNLHTWHPB-WOPDTQHZSA-N 2 2 241.379 0.960 20 0 BCADLP CCCNC(=O)C[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000315894243 384718433 /nfs/dbraw/zinc/71/84/33/384718433.db2.gz ABWSUNNLHTWHPB-WOPDTQHZSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@@H](CC(=O)N1CC[NH2+]CC1)n1cc[nH+]c1 ZINC000082651981 384774131 /nfs/dbraw/zinc/77/41/31/384774131.db2.gz PNVAXSCMIRPEDT-JTQLQIEISA-N 2 2 222.292 0.266 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](CCCCCF)CCO1 ZINC000308457556 384733098 /nfs/dbraw/zinc/73/30/98/384733098.db2.gz FIERBKCXFVAJFF-JTQLQIEISA-N 2 2 204.289 0.786 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](CCCCCF)CCO1 ZINC000308457556 384733103 /nfs/dbraw/zinc/73/31/03/384733103.db2.gz FIERBKCXFVAJFF-JTQLQIEISA-N 2 2 204.289 0.786 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC000647546575 384733975 /nfs/dbraw/zinc/73/39/75/384733975.db2.gz PYRSJFSICPXPJC-SDDRHHMPSA-N 3 2 211.353 0.574 20 0 BCADLP C[C@@H](CC(=O)N(C)C)[NH2+]CC[NH+](C)C ZINC000308470725 384738943 /nfs/dbraw/zinc/73/89/43/384738943.db2.gz BMHJDCPJSVGZDR-VIFPVBQESA-N 2 2 201.314 0.004 20 0 BCADLP C[N@@H+]1CC[C@H](CC(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000259032074 384749236 /nfs/dbraw/zinc/74/92/36/384749236.db2.gz KFCBOIYOYSJPMG-SECBINFHSA-N 2 2 234.303 0.944 20 0 BCADLP C[N@H+]1CC[C@H](CC(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000259032074 384749239 /nfs/dbraw/zinc/74/92/39/384749239.db2.gz KFCBOIYOYSJPMG-SECBINFHSA-N 2 2 234.303 0.944 20 0 BCADLP C[C@@]1(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CC[NH2+]C1 ZINC000647548197 384749775 /nfs/dbraw/zinc/74/97/75/384749775.db2.gz YQJGCUYPSGGGCX-GARJFASQSA-N 3 2 215.316 0.276 20 0 BCADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647548191 384750433 /nfs/dbraw/zinc/75/04/33/384750433.db2.gz YLYCUSIWFBNNIU-SJHCENCUSA-N 3 2 241.354 0.664 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000126952653 384826165 /nfs/dbraw/zinc/82/61/65/384826165.db2.gz XJDJBUXBMDRNEB-VGMNWLOBSA-N 2 2 200.282 0.217 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000126952653 384826174 /nfs/dbraw/zinc/82/61/74/384826174.db2.gz XJDJBUXBMDRNEB-VGMNWLOBSA-N 2 2 200.282 0.217 20 0 BCADLP CC(C)C[C@@H]1C(=O)NCC[N@H+]1CCC[NH3+] ZINC000108361847 384783929 /nfs/dbraw/zinc/78/39/29/384783929.db2.gz PXBAFBFWIKTZII-SNVBAGLBSA-N 2 2 213.325 0.182 20 0 BCADLP CC(C)C[C@@H]1C(=O)NCC[N@@H+]1CCC[NH3+] ZINC000108361847 384783941 /nfs/dbraw/zinc/78/39/41/384783941.db2.gz PXBAFBFWIKTZII-SNVBAGLBSA-N 2 2 213.325 0.182 20 0 BCADLP C[C@H](C[S@@](C)=O)[N@H+](C)CCCn1cc[nH+]c1 ZINC000126291205 384788040 /nfs/dbraw/zinc/78/80/40/384788040.db2.gz LJQXTUMPDGEZNJ-BZNIZROVSA-N 2 2 243.376 0.972 20 0 BCADLP C[C@H](C[S@@](C)=O)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000126291205 384788044 /nfs/dbraw/zinc/78/80/44/384788044.db2.gz LJQXTUMPDGEZNJ-BZNIZROVSA-N 2 2 243.376 0.972 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)CC(=O)NC1CC1 ZINC000163365967 384796358 /nfs/dbraw/zinc/79/63/58/384796358.db2.gz CYACCXORYCAHLS-UHFFFAOYSA-N 2 2 222.292 0.094 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)CC(=O)NC1CC1 ZINC000163365967 384796362 /nfs/dbraw/zinc/79/63/62/384796362.db2.gz CYACCXORYCAHLS-UHFFFAOYSA-N 2 2 222.292 0.094 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000398121775 384812708 /nfs/dbraw/zinc/81/27/08/384812708.db2.gz GXABBRJFVADNEY-FDYHWXHSSA-N 2 2 242.363 0.911 20 0 BCADLP C[NH2+]CCC[N@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000314176223 384846225 /nfs/dbraw/zinc/84/62/25/384846225.db2.gz LWFRIQHNRZEFMA-BETUJISGSA-N 2 2 243.395 0.637 20 0 BCADLP C[NH2+]CCC[N@@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000314176223 384846227 /nfs/dbraw/zinc/84/62/27/384846227.db2.gz LWFRIQHNRZEFMA-BETUJISGSA-N 2 2 243.395 0.637 20 0 BCADLP CC(C)COC[C@@H](O)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000644548163 384952245 /nfs/dbraw/zinc/95/22/45/384952245.db2.gz RIEDWDSICRVIKB-OLZOCXBDSA-N 2 2 244.379 0.704 20 0 BCADLP CC(C)COC[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000644548163 384952255 /nfs/dbraw/zinc/95/22/55/384952255.db2.gz RIEDWDSICRVIKB-OLZOCXBDSA-N 2 2 244.379 0.704 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCn1cc[nH+]c1 ZINC000309286124 384894377 /nfs/dbraw/zinc/89/43/77/384894377.db2.gz ISXKWHYCYJYLQH-UWVGGRQHSA-N 2 2 222.292 0.221 20 0 BCADLP Cn1cc(CCC[NH2+]CCn2cc[nH+]c2)cn1 ZINC000314311977 384932013 /nfs/dbraw/zinc/93/20/13/384932013.db2.gz HUFULVNVOYRRGJ-UHFFFAOYSA-N 2 2 233.319 0.839 20 0 BCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC000449398807 384934937 /nfs/dbraw/zinc/93/49/37/384934937.db2.gz YYLWHHUUZFUBJG-GFCCVEGCSA-N 2 2 212.337 0.833 20 0 BCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC000449398807 384934948 /nfs/dbraw/zinc/93/49/48/384934948.db2.gz YYLWHHUUZFUBJG-GFCCVEGCSA-N 2 2 212.337 0.833 20 0 BCADLP c1nc(NC2C[NH2+]C2)cc(N2CCCC2)[nH+]1 ZINC000258605222 384936895 /nfs/dbraw/zinc/93/68/95/384936895.db2.gz HWYZFNXCKJAEGK-UHFFFAOYSA-N 2 2 219.292 0.461 20 0 BCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cccs1 ZINC000258851172 384947791 /nfs/dbraw/zinc/94/77/91/384947791.db2.gz FZUMQAXINJIOLV-JTQLQIEISA-N 2 2 225.361 0.741 20 0 BCADLP CC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577135 384965093 /nfs/dbraw/zinc/96/50/93/384965093.db2.gz WOCISMUAJMIWSN-KKOKHZNYSA-N 2 2 239.363 0.441 20 0 BCADLP CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577135 384965105 /nfs/dbraw/zinc/96/51/05/384965105.db2.gz WOCISMUAJMIWSN-KKOKHZNYSA-N 2 2 239.363 0.441 20 0 BCADLP CCSCC[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000128966028 384971494 /nfs/dbraw/zinc/97/14/94/384971494.db2.gz OWBQVIFMRMVSGS-NSHDSACASA-N 2 2 231.409 0.575 20 0 BCADLP CCSCC[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000128966028 384971498 /nfs/dbraw/zinc/97/14/98/384971498.db2.gz OWBQVIFMRMVSGS-NSHDSACASA-N 2 2 231.409 0.575 20 0 BCADLP [NH3+]CC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000037008430 384987693 /nfs/dbraw/zinc/98/76/93/384987693.db2.gz HZGFBJDLWAENSF-UHFFFAOYSA-N 2 2 234.303 0.125 20 0 BCADLP C[C@H]1CC[N@H+](CCn2cc[nH+]c2)[C@@H](C(N)=O)C1 ZINC000249557823 384990070 /nfs/dbraw/zinc/99/00/70/384990070.db2.gz KMUNLIMZYGGPCZ-WDEREUQCSA-N 2 2 236.319 0.469 20 0 BCADLP C[C@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@@H](C(N)=O)C1 ZINC000249557823 384990076 /nfs/dbraw/zinc/99/00/76/384990076.db2.gz KMUNLIMZYGGPCZ-WDEREUQCSA-N 2 2 236.319 0.469 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000310337598 384995355 /nfs/dbraw/zinc/99/53/55/384995355.db2.gz NENBILQDITWMAM-NWDGAFQWSA-N 2 2 239.363 0.587 20 0 BCADLP CCCCNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000310337598 384995358 /nfs/dbraw/zinc/99/53/58/384995358.db2.gz NENBILQDITWMAM-NWDGAFQWSA-N 2 2 239.363 0.587 20 0 BCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccns1 ZINC000404445376 385005759 /nfs/dbraw/zinc/00/57/59/385005759.db2.gz DRZBDAFHHNGAIQ-JTQLQIEISA-N 2 2 229.349 0.545 20 0 BCADLP CO[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C)C1CC1 ZINC000339528187 385013337 /nfs/dbraw/zinc/01/33/37/385013337.db2.gz HEJDTBHATLZORO-ZMLRMANQSA-N 2 2 212.337 0.951 20 0 BCADLP CO[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)C1CC1 ZINC000339528187 385013342 /nfs/dbraw/zinc/01/33/42/385013342.db2.gz HEJDTBHATLZORO-ZMLRMANQSA-N 2 2 212.337 0.951 20 0 BCADLP CO[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000310373914 385013766 /nfs/dbraw/zinc/01/37/66/385013766.db2.gz YJUCLFGBPDWQRK-STQMWFEESA-N 2 2 242.363 0.552 20 0 BCADLP CO[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000310373914 385013774 /nfs/dbraw/zinc/01/37/74/385013774.db2.gz YJUCLFGBPDWQRK-STQMWFEESA-N 2 2 242.363 0.552 20 0 BCADLP CO[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000310373914 385013777 /nfs/dbraw/zinc/01/37/77/385013777.db2.gz YJUCLFGBPDWQRK-STQMWFEESA-N 2 2 242.363 0.552 20 0 BCADLP CO[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000310373914 385013784 /nfs/dbraw/zinc/01/37/84/385013784.db2.gz YJUCLFGBPDWQRK-STQMWFEESA-N 2 2 242.363 0.552 20 0 BCADLP CC[C@@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000644650749 385065605 /nfs/dbraw/zinc/06/56/05/385065605.db2.gz FUOJJNJBEBPGNA-DTWKUNHWSA-N 2 2 209.293 0.628 20 0 BCADLP CC[C@@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000644650749 385065611 /nfs/dbraw/zinc/06/56/11/385065611.db2.gz FUOJJNJBEBPGNA-DTWKUNHWSA-N 2 2 209.293 0.628 20 0 BCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000646914297 385065917 /nfs/dbraw/zinc/06/59/17/385065917.db2.gz UTHHVEWBRFEOQM-JQWIXIFHSA-N 2 2 248.330 0.505 20 0 BCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000646914297 385065923 /nfs/dbraw/zinc/06/59/23/385065923.db2.gz UTHHVEWBRFEOQM-JQWIXIFHSA-N 2 2 248.330 0.505 20 0 BCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000646914297 385065926 /nfs/dbraw/zinc/06/59/26/385065926.db2.gz UTHHVEWBRFEOQM-JQWIXIFHSA-N 2 2 248.330 0.505 20 0 BCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000646914297 385065928 /nfs/dbraw/zinc/06/59/28/385065928.db2.gz UTHHVEWBRFEOQM-JQWIXIFHSA-N 2 2 248.330 0.505 20 0 BCADLP C[N@@H+]1C[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000646914299 385066650 /nfs/dbraw/zinc/06/66/50/385066650.db2.gz UTHHVEWBRFEOQM-ZYHUDNBSSA-N 2 2 248.330 0.505 20 0 BCADLP C[N@H+]1C[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000646914299 385066659 /nfs/dbraw/zinc/06/66/59/385066659.db2.gz UTHHVEWBRFEOQM-ZYHUDNBSSA-N 2 2 248.330 0.505 20 0 BCADLP C[N@@H+]1C[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000646914299 385066668 /nfs/dbraw/zinc/06/66/68/385066668.db2.gz UTHHVEWBRFEOQM-ZYHUDNBSSA-N 2 2 248.330 0.505 20 0 BCADLP C[N@H+]1C[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000646914299 385066675 /nfs/dbraw/zinc/06/66/75/385066675.db2.gz UTHHVEWBRFEOQM-ZYHUDNBSSA-N 2 2 248.330 0.505 20 0 BCADLP Cc1cnc([C@H](C)[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000644659386 385067652 /nfs/dbraw/zinc/06/76/52/385067652.db2.gz JMIVZJWHWJEGGI-QJPTWQEYSA-N 2 2 232.331 0.997 20 0 BCADLP C[N@@H+]1C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000646940986 385068333 /nfs/dbraw/zinc/06/83/33/385068333.db2.gz RALRRKPYDOESDQ-GHMZBOCLSA-N 2 2 248.330 0.505 20 0 BCADLP C[N@H+]1C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000646940986 385068337 /nfs/dbraw/zinc/06/83/37/385068337.db2.gz RALRRKPYDOESDQ-GHMZBOCLSA-N 2 2 248.330 0.505 20 0 BCADLP C[NH+](C)[C@@]1(CNCc2[nH]cc[nH+]2)CCSC1 ZINC000165175460 385076949 /nfs/dbraw/zinc/07/69/49/385076949.db2.gz UHEJLMPRMDWNOZ-LLVKDONJSA-N 2 2 240.376 0.937 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227070348 385084911 /nfs/dbraw/zinc/08/49/11/385084911.db2.gz VQZWQXJTHZMFSM-WDEREUQCSA-N 2 2 227.352 0.524 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227070348 385084919 /nfs/dbraw/zinc/08/49/19/385084919.db2.gz VQZWQXJTHZMFSM-WDEREUQCSA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)OC ZINC000308762954 385081976 /nfs/dbraw/zinc/08/19/76/385081976.db2.gz ZAAOPWQRIWFZEH-GMTAPVOTSA-N 2 2 200.326 0.951 20 0 BCADLP CC[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)OC ZINC000308762954 385081980 /nfs/dbraw/zinc/08/19/80/385081980.db2.gz ZAAOPWQRIWFZEH-GMTAPVOTSA-N 2 2 200.326 0.951 20 0 BCADLP C[C@@H]1CC[N@H+](CC(=O)NCc2[nH]cc[nH+]2)C1 ZINC000557596709 385032325 /nfs/dbraw/zinc/03/23/25/385032325.db2.gz OIXGBPSZUBUKAU-SECBINFHSA-N 2 2 222.292 0.368 20 0 BCADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2[nH]cc[nH+]2)C1 ZINC000557596709 385032328 /nfs/dbraw/zinc/03/23/28/385032328.db2.gz OIXGBPSZUBUKAU-SECBINFHSA-N 2 2 222.292 0.368 20 0 BCADLP CC[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)OC ZINC000308762955 385083495 /nfs/dbraw/zinc/08/34/95/385083495.db2.gz ZAAOPWQRIWFZEH-HBNTYKKESA-N 2 2 200.326 0.951 20 0 BCADLP CC[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)OC ZINC000308762955 385083500 /nfs/dbraw/zinc/08/35/00/385083500.db2.gz ZAAOPWQRIWFZEH-HBNTYKKESA-N 2 2 200.326 0.951 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC[C@@H]1CO)C1CC1 ZINC000310518240 385102558 /nfs/dbraw/zinc/10/25/58/385102558.db2.gz SKNSJOPPIYBTPC-CHWSQXEVSA-N 2 2 242.363 0.288 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC[C@@H]1CO)C1CC1 ZINC000310518240 385102561 /nfs/dbraw/zinc/10/25/61/385102561.db2.gz SKNSJOPPIYBTPC-CHWSQXEVSA-N 2 2 242.363 0.288 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CO)C1CC1 ZINC000310518240 385102563 /nfs/dbraw/zinc/10/25/63/385102563.db2.gz SKNSJOPPIYBTPC-CHWSQXEVSA-N 2 2 242.363 0.288 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+]1CCCC[C@@H]1CO)C1CC1 ZINC000310518240 385102566 /nfs/dbraw/zinc/10/25/66/385102566.db2.gz SKNSJOPPIYBTPC-CHWSQXEVSA-N 2 2 242.363 0.288 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(C)(O)CC1)C1CC1 ZINC000310523500 385105065 /nfs/dbraw/zinc/10/50/65/385105065.db2.gz VLEDOYZOFDMUDT-LBPRGKRZSA-N 2 2 242.363 0.288 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(C)(O)CC1)C1CC1 ZINC000310523500 385105071 /nfs/dbraw/zinc/10/50/71/385105071.db2.gz VLEDOYZOFDMUDT-LBPRGKRZSA-N 2 2 242.363 0.288 20 0 BCADLP CCCNC(=O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000157468302 385187572 /nfs/dbraw/zinc/18/75/72/385187572.db2.gz AFJRXIPCNOBUTE-UHFFFAOYSA-N 2 2 241.379 0.929 20 0 BCADLP CCCNC(=O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000157468302 385187577 /nfs/dbraw/zinc/18/75/77/385187577.db2.gz AFJRXIPCNOBUTE-UHFFFAOYSA-N 2 2 241.379 0.929 20 0 BCADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)NC1CC1 ZINC000109794214 385190922 /nfs/dbraw/zinc/19/09/22/385190922.db2.gz XWHGTOMMGVWDPG-UHFFFAOYSA-N 2 2 248.330 0.799 20 0 BCADLP COC(=O)[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000151986528 385146370 /nfs/dbraw/zinc/14/63/70/385146370.db2.gz MHKUUZRWGMFOBH-LLVKDONJSA-N 2 2 237.303 0.768 20 0 BCADLP COC(=O)[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000151986528 385146376 /nfs/dbraw/zinc/14/63/76/385146376.db2.gz MHKUUZRWGMFOBH-LLVKDONJSA-N 2 2 237.303 0.768 20 0 BCADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2cn(C)nn2)C[C@@H]1C[NH3+] ZINC000397439462 385149986 /nfs/dbraw/zinc/14/99/86/385149986.db2.gz DTVYTTJHPWOIRB-MXWKQRLJSA-N 2 2 237.351 0.620 20 0 BCADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cn(C)nn2)C[C@@H]1C[NH3+] ZINC000397439462 385149990 /nfs/dbraw/zinc/14/99/90/385149990.db2.gz DTVYTTJHPWOIRB-MXWKQRLJSA-N 2 2 237.351 0.620 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000157342535 385151182 /nfs/dbraw/zinc/15/11/82/385151182.db2.gz KHZDENODBZETNV-LBPRGKRZSA-N 2 2 239.363 0.540 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000157342535 385151191 /nfs/dbraw/zinc/15/11/91/385151191.db2.gz KHZDENODBZETNV-LBPRGKRZSA-N 2 2 239.363 0.540 20 0 BCADLP C[C@H]([NH3+])CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000647021696 385152924 /nfs/dbraw/zinc/15/29/24/385152924.db2.gz YXCKBTRAGPUJSC-QMMMGPOBSA-N 2 2 249.305 0.427 20 0 BCADLP C1CC1[C@@H]([NH2+][C@@H]1CC12CC2)[C@@H]1C[NH2+]CCO1 ZINC000424373301 385154049 /nfs/dbraw/zinc/15/40/49/385154049.db2.gz JMTGGJDNARKKMK-QJPTWQEYSA-N 2 2 222.332 0.896 20 0 BCADLP [NH3+]CCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479899 385154380 /nfs/dbraw/zinc/15/43/80/385154380.db2.gz XWDFMLIJJBCNGA-VXGBXAGGSA-N 3 2 211.353 0.799 20 0 BCADLP [NH3+]CCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479899 385154387 /nfs/dbraw/zinc/15/43/87/385154387.db2.gz XWDFMLIJJBCNGA-VXGBXAGGSA-N 3 2 211.353 0.799 20 0 BCADLP C[C@H](CO)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000308840842 385213552 /nfs/dbraw/zinc/21/35/52/385213552.db2.gz JYZNSMHGWSHDCT-MRVPVSSYSA-N 2 2 229.349 0.675 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000644730455 385257491 /nfs/dbraw/zinc/25/74/91/385257491.db2.gz VSNIGFMKXSVOSF-GHMZBOCLSA-N 2 2 220.320 0.556 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000644730455 385257496 /nfs/dbraw/zinc/25/74/96/385257496.db2.gz VSNIGFMKXSVOSF-GHMZBOCLSA-N 2 2 220.320 0.556 20 0 BCADLP C[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000280167973 385203681 /nfs/dbraw/zinc/20/36/81/385203681.db2.gz OQLMQIUGXHDHKT-NSHDSACASA-N 2 2 236.319 0.553 20 0 BCADLP C[N@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000280167973 385203685 /nfs/dbraw/zinc/20/36/85/385203685.db2.gz OQLMQIUGXHDHKT-NSHDSACASA-N 2 2 236.319 0.553 20 0 BCADLP C[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000280167973 385203693 /nfs/dbraw/zinc/20/36/93/385203693.db2.gz OQLMQIUGXHDHKT-NSHDSACASA-N 2 2 236.319 0.553 20 0 BCADLP C[N@H+]1CCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000280167973 385203697 /nfs/dbraw/zinc/20/36/97/385203697.db2.gz OQLMQIUGXHDHKT-NSHDSACASA-N 2 2 236.319 0.553 20 0 BCADLP C[N@@H+]1C[C@@H]2CCN(CCn3cc[nH+]c3)[C@@H]2C1 ZINC000644732153 385274362 /nfs/dbraw/zinc/27/43/62/385274362.db2.gz HKAXVWRIXZJULG-NWDGAFQWSA-N 2 2 220.320 0.519 20 0 BCADLP C[N@H+]1C[C@@H]2CCN(CCn3cc[nH+]c3)[C@@H]2C1 ZINC000644732153 385274365 /nfs/dbraw/zinc/27/43/65/385274365.db2.gz HKAXVWRIXZJULG-NWDGAFQWSA-N 2 2 220.320 0.519 20 0 BCADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCCOC1)CC2 ZINC000309330681 385282155 /nfs/dbraw/zinc/28/21/55/385282155.db2.gz HRPCYAJRTDSSQW-WDEREUQCSA-N 2 2 221.304 0.967 20 0 BCADLP C[C@@H](CNc1[nH+]cnc2c1cnn2C)C[NH+](C)C ZINC000291671880 385294711 /nfs/dbraw/zinc/29/47/11/385294711.db2.gz DNDUMMCCVNYVRU-VIFPVBQESA-N 2 2 248.334 0.973 20 0 BCADLP CCNC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000158068560 385337506 /nfs/dbraw/zinc/33/75/06/385337506.db2.gz JPNIXKBEXPPYAD-LLVKDONJSA-N 2 2 227.352 0.396 20 0 BCADLP CCNC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000158068560 385337511 /nfs/dbraw/zinc/33/75/11/385337511.db2.gz JPNIXKBEXPPYAD-LLVKDONJSA-N 2 2 227.352 0.396 20 0 BCADLP CCNC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000158068560 385337515 /nfs/dbraw/zinc/33/75/15/385337515.db2.gz JPNIXKBEXPPYAD-LLVKDONJSA-N 2 2 227.352 0.396 20 0 BCADLP CCNC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000158068560 385337522 /nfs/dbraw/zinc/33/75/22/385337522.db2.gz JPNIXKBEXPPYAD-LLVKDONJSA-N 2 2 227.352 0.396 20 0 BCADLP Cc1n[nH]c(C)c1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000131466260 385338446 /nfs/dbraw/zinc/33/84/46/385338446.db2.gz LTIQHMPTWJKLSH-GFCCVEGCSA-N 2 2 240.351 0.429 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000165072683 385346332 /nfs/dbraw/zinc/34/63/32/385346332.db2.gz DVEKPCIZSOKXRP-VHSXEESVSA-N 2 2 224.308 0.373 20 0 BCADLP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000192117469 385346287 /nfs/dbraw/zinc/34/62/87/385346287.db2.gz RRNQCLXCPNMDNQ-UWVGGRQHSA-N 2 2 246.314 0.934 20 0 BCADLP C[C@H]([NH3+])[C@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000165072898 385347031 /nfs/dbraw/zinc/34/70/31/385347031.db2.gz DVEKPCIZSOKXRP-UWVGGRQHSA-N 2 2 224.308 0.373 20 0 BCADLP c1[nH+]c2n(c1C[NH2+]C1COC1)CCCC2 ZINC000309004983 385364318 /nfs/dbraw/zinc/36/43/18/385364318.db2.gz PLBQHVIEZZINQH-UHFFFAOYSA-N 2 2 207.277 0.708 20 0 BCADLP Cc1c[nH+]c(CNC[C@@H](C)[NH+](C)C)n1C ZINC000309014081 385369259 /nfs/dbraw/zinc/36/92/59/385369259.db2.gz SXYOOVRPWQASMQ-SECBINFHSA-N 2 2 210.325 0.768 20 0 BCADLP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)nn1C ZINC000647496286 385386220 /nfs/dbraw/zinc/38/62/20/385386220.db2.gz DCSDJCKRWSSUKD-BXKDBHETSA-N 2 2 222.336 0.898 20 0 BCADLP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)nn1C ZINC000647496286 385386221 /nfs/dbraw/zinc/38/62/21/385386221.db2.gz DCSDJCKRWSSUKD-BXKDBHETSA-N 2 2 222.336 0.898 20 0 BCADLP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)nn1C ZINC000647496287 385386825 /nfs/dbraw/zinc/38/68/25/385386825.db2.gz DCSDJCKRWSSUKD-CABZTGNLSA-N 2 2 222.336 0.898 20 0 BCADLP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)nn1C ZINC000647496287 385386829 /nfs/dbraw/zinc/38/68/29/385386829.db2.gz DCSDJCKRWSSUKD-CABZTGNLSA-N 2 2 222.336 0.898 20 0 BCADLP CO[C@@H](C[NH2+]CCC[NH+]1CCOCC1)C1CC1 ZINC000400155469 385327608 /nfs/dbraw/zinc/32/76/08/385327608.db2.gz HDYIEAIFIHYGJU-ZDUSSCGKSA-N 2 2 242.363 0.723 20 0 BCADLP CC[C@H]1C[N@H+](CC2(C[NH3+])CC2)CC[C@@H]1[NH3+] ZINC000647497406 385406639 /nfs/dbraw/zinc/40/66/39/385406639.db2.gz GRXQPIVHRYNQAK-QWRGUYRKSA-N 3 2 211.353 0.785 20 0 BCADLP CC[C@H]1C[N@@H+](CC2(C[NH3+])CC2)CC[C@@H]1[NH3+] ZINC000647497406 385406642 /nfs/dbraw/zinc/40/66/42/385406642.db2.gz GRXQPIVHRYNQAK-QWRGUYRKSA-N 3 2 211.353 0.785 20 0 BCADLP C[N@H+](CCC[NH3+])Cc1cnc(N2CCCC2)nc1 ZINC000647497459 385410434 /nfs/dbraw/zinc/41/04/34/385410434.db2.gz IMDYVCPKOCJGDO-UHFFFAOYSA-N 2 2 249.362 0.857 20 0 BCADLP C[N@@H+](CCC[NH3+])Cc1cnc(N2CCCC2)nc1 ZINC000647497459 385410438 /nfs/dbraw/zinc/41/04/38/385410438.db2.gz IMDYVCPKOCJGDO-UHFFFAOYSA-N 2 2 249.362 0.857 20 0 BCADLP C[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000194949647 385453025 /nfs/dbraw/zinc/45/30/25/385453025.db2.gz BBMTZNKCTMHQDF-CHWSQXEVSA-N 2 2 242.363 0.411 20 0 BCADLP C[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000194949647 385453028 /nfs/dbraw/zinc/45/30/28/385453028.db2.gz BBMTZNKCTMHQDF-CHWSQXEVSA-N 2 2 242.363 0.411 20 0 BCADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H](C)C[N@@H+]1C ZINC000492763880 385427467 /nfs/dbraw/zinc/42/74/67/385427467.db2.gz JQGPVWQCFWROKD-KWKBKKAHSA-N 2 2 248.330 0.974 20 0 BCADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H](C)C[N@H+]1C ZINC000492763880 385427468 /nfs/dbraw/zinc/42/74/68/385427468.db2.gz JQGPVWQCFWROKD-KWKBKKAHSA-N 2 2 248.330 0.974 20 0 BCADLP Cc1nc(N2CC[C@@H](N3CC[NH2+]CC3)C2)cc[nH+]1 ZINC000257697639 385488741 /nfs/dbraw/zinc/48/87/41/385488741.db2.gz KNDKBYNTTAECKY-GFCCVEGCSA-N 2 2 247.346 0.269 20 0 BCADLP C[NH+]1CCC([NH2+]Cc2cnc3cnccn23)CC1 ZINC000156563727 385458933 /nfs/dbraw/zinc/45/89/33/385458933.db2.gz XTGKWGKPQAVBQM-UHFFFAOYSA-N 2 2 245.330 0.913 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCNC1=O ZINC000179304029 385459213 /nfs/dbraw/zinc/45/92/13/385459213.db2.gz ZYAXQAVLNITOLU-SNVBAGLBSA-N 2 2 222.292 0.094 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCNC1=O ZINC000179304029 385459216 /nfs/dbraw/zinc/45/92/16/385459216.db2.gz ZYAXQAVLNITOLU-SNVBAGLBSA-N 2 2 222.292 0.094 20 0 BCADLP C[C@@H]1CN(c2nc[nH+]c(N)c2Cl)[C@@H](C)C[NH2+]1 ZINC000643023165 385519319 /nfs/dbraw/zinc/51/93/19/385519319.db2.gz ZMIRGMKXWHRXHO-RQJHMYQMSA-N 2 2 241.726 0.899 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000309386263 385559968 /nfs/dbraw/zinc/55/99/68/385559968.db2.gz SEOICCAIBVWAQN-JQWIXIFHSA-N 2 2 225.336 0.278 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000309386263 385559970 /nfs/dbraw/zinc/55/99/70/385559970.db2.gz SEOICCAIBVWAQN-JQWIXIFHSA-N 2 2 225.336 0.278 20 0 BCADLP CC[C@@H](C(N)=O)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000309386263 385559973 /nfs/dbraw/zinc/55/99/73/385559973.db2.gz SEOICCAIBVWAQN-JQWIXIFHSA-N 2 2 225.336 0.278 20 0 BCADLP CC[C@@H](C(N)=O)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000309386263 385559975 /nfs/dbraw/zinc/55/99/75/385559975.db2.gz SEOICCAIBVWAQN-JQWIXIFHSA-N 2 2 225.336 0.278 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCOC1=O ZINC000181059102 385561596 /nfs/dbraw/zinc/56/15/96/385561596.db2.gz GUJVPUBZLRQOLW-SNVBAGLBSA-N 2 2 223.276 0.521 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCOC1=O ZINC000181059102 385561599 /nfs/dbraw/zinc/56/15/99/385561599.db2.gz GUJVPUBZLRQOLW-SNVBAGLBSA-N 2 2 223.276 0.521 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)NCCC[NH2+]C ZINC000493423967 385573311 /nfs/dbraw/zinc/57/33/11/385573311.db2.gz BNJVTCPMGIGIKH-WAYWQWQTSA-N 2 2 236.319 0.642 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)NCCC[NH2+]C ZINC000493423966 385573974 /nfs/dbraw/zinc/57/39/74/385573974.db2.gz BNJVTCPMGIGIKH-AATRIKPKSA-N 2 2 236.319 0.642 20 0 BCADLP COc1cc(C[N@H+](C)CC[NH3+])ccc1O ZINC000054416869 385582597 /nfs/dbraw/zinc/58/25/97/385582597.db2.gz NGMBUVPUVDHGBN-UHFFFAOYSA-N 2 2 210.277 0.791 20 0 BCADLP COc1cc(C[N@@H+](C)CC[NH3+])ccc1O ZINC000054416869 385582600 /nfs/dbraw/zinc/58/26/00/385582600.db2.gz NGMBUVPUVDHGBN-UHFFFAOYSA-N 2 2 210.277 0.791 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000309495162 385616174 /nfs/dbraw/zinc/61/61/74/385616174.db2.gz YZCHDTQHCRAAOU-NEPJUHHUSA-N 2 2 228.336 0.162 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000309495162 385616176 /nfs/dbraw/zinc/61/61/76/385616176.db2.gz YZCHDTQHCRAAOU-NEPJUHHUSA-N 2 2 228.336 0.162 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+](C)[C@@H]1CCOC1)C1CC1 ZINC000309495162 385616178 /nfs/dbraw/zinc/61/61/78/385616178.db2.gz YZCHDTQHCRAAOU-NEPJUHHUSA-N 2 2 228.336 0.162 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+](C)[C@@H]1CCOC1)C1CC1 ZINC000309495162 385616184 /nfs/dbraw/zinc/61/61/84/385616184.db2.gz YZCHDTQHCRAAOU-NEPJUHHUSA-N 2 2 228.336 0.162 20 0 BCADLP C[C@@H](CNCc1[nH]cc[nH+]1)[N@H+](C)C1CC1 ZINC000066594041 385621288 /nfs/dbraw/zinc/62/12/88/385621288.db2.gz MVVOHHVLSHIVTG-VIFPVBQESA-N 2 2 208.309 0.982 20 0 BCADLP C[C@@H](CNCc1[nH]cc[nH+]1)[N@@H+](C)C1CC1 ZINC000066594041 385621295 /nfs/dbraw/zinc/62/12/95/385621295.db2.gz MVVOHHVLSHIVTG-VIFPVBQESA-N 2 2 208.309 0.982 20 0 BCADLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414849163 385626066 /nfs/dbraw/zinc/62/60/66/385626066.db2.gz QWACZJDYBAKGON-GRYCIOLGSA-N 3 2 211.353 0.859 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCCS(C)(=O)=O)C1 ZINC000082645524 385627023 /nfs/dbraw/zinc/62/70/23/385627023.db2.gz VEVWMAYOXYJYQG-WDEREUQCSA-N 2 2 248.392 0.480 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCCS(C)(=O)=O)C1 ZINC000082645524 385627026 /nfs/dbraw/zinc/62/70/26/385627026.db2.gz VEVWMAYOXYJYQG-WDEREUQCSA-N 2 2 248.392 0.480 20 0 BCADLP C[C@H]([NH2+]CCn1cc[nH+]c1)C(C)(C)n1cncn1 ZINC000281133105 385637991 /nfs/dbraw/zinc/63/79/91/385637991.db2.gz YNKQWHKKLJVVCL-NSHDSACASA-N 2 2 248.334 0.888 20 0 BCADLP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414851018 385646925 /nfs/dbraw/zinc/64/69/25/385646925.db2.gz SSNIVNJTQWUSLJ-SNVBAGLBSA-N 2 2 208.309 0.868 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[N@@H+](C)CC1 ZINC000281235764 385647087 /nfs/dbraw/zinc/64/70/87/385647087.db2.gz SMZPKPQTOOZADR-UHFFFAOYSA-N 2 2 236.319 0.425 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[N@H+](C)CC1 ZINC000281235764 385647091 /nfs/dbraw/zinc/64/70/91/385647091.db2.gz SMZPKPQTOOZADR-UHFFFAOYSA-N 2 2 236.319 0.425 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1CCSCC1)C1CC1 ZINC000336685291 385686179 /nfs/dbraw/zinc/68/61/79/385686179.db2.gz KQPWTIBGXJUKCC-NSHDSACASA-N 2 2 230.377 0.490 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+]1CCSCC1)C1CC1 ZINC000336685291 385686184 /nfs/dbraw/zinc/68/61/84/385686184.db2.gz KQPWTIBGXJUKCC-NSHDSACASA-N 2 2 230.377 0.490 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(=O)NCCF ZINC000337563412 385711110 /nfs/dbraw/zinc/71/11/10/385711110.db2.gz WWAUTRGSGFCNCI-VWYCJHECSA-N 2 2 245.342 0.533 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)NCCF ZINC000337563412 385711113 /nfs/dbraw/zinc/71/11/13/385711113.db2.gz WWAUTRGSGFCNCI-VWYCJHECSA-N 2 2 245.342 0.533 20 0 BCADLP C[NH+]1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000408208650 385668542 /nfs/dbraw/zinc/66/85/42/385668542.db2.gz OSEUUNAQHOZZOE-UHFFFAOYSA-N 2 2 222.292 0.116 20 0 BCADLP Cc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c(=O)n1C ZINC000335494274 385735542 /nfs/dbraw/zinc/73/55/42/385735542.db2.gz YDWOZTLVEISWCA-MFKMUULPSA-N 2 2 249.358 0.781 20 0 BCADLP CC[C@](C)([NH2+]Cc1c[nH+]cn1C)C(N)=O ZINC000336694798 385742955 /nfs/dbraw/zinc/74/29/55/385742955.db2.gz NNSNQULXBWLFNN-JTQLQIEISA-N 2 2 210.281 0.164 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)C[C@H]1CCC[C@H]1O ZINC000270940327 385761670 /nfs/dbraw/zinc/76/16/70/385761670.db2.gz YOBZMNPWAUZFRX-VXGBXAGGSA-N 2 2 223.320 0.976 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)C[C@H]1CCC[C@H]1O ZINC000270940327 385761678 /nfs/dbraw/zinc/76/16/78/385761678.db2.gz YOBZMNPWAUZFRX-VXGBXAGGSA-N 2 2 223.320 0.976 20 0 BCADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCNC1=O ZINC000282474913 385763981 /nfs/dbraw/zinc/76/39/81/385763981.db2.gz UYLMNWURXATEEU-JTQLQIEISA-N 2 2 222.292 0.094 20 0 BCADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCNC1=O ZINC000282474913 385763984 /nfs/dbraw/zinc/76/39/84/385763984.db2.gz UYLMNWURXATEEU-JTQLQIEISA-N 2 2 222.292 0.094 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000186577531 385771483 /nfs/dbraw/zinc/77/14/83/385771483.db2.gz HUIUCPWREKSWMV-VXGBXAGGSA-N 2 2 230.352 0.315 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000186577531 385771485 /nfs/dbraw/zinc/77/14/85/385771485.db2.gz HUIUCPWREKSWMV-VXGBXAGGSA-N 2 2 230.352 0.315 20 0 BCADLP COC[C@H](O)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000309660758 385778217 /nfs/dbraw/zinc/77/82/17/385778217.db2.gz RFUYYIREGIFXHC-WCQGTBRESA-N 2 2 228.336 0.066 20 0 BCADLP COC[C@H](O)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000309660758 385778224 /nfs/dbraw/zinc/77/82/24/385778224.db2.gz RFUYYIREGIFXHC-WCQGTBRESA-N 2 2 228.336 0.066 20 0 BCADLP COC(=O)c1ccc(C[NH2+][C@@H](C)C[NH3+])cc1 ZINC000414944712 385783490 /nfs/dbraw/zinc/78/34/90/385783490.db2.gz OOAXOJISLIWLME-VIFPVBQESA-N 2 2 222.288 0.910 20 0 BCADLP C[C@@H](C[NH2+][C@@H](C)CS(C)(=O)=O)C[NH+](C)C ZINC000336712529 385801874 /nfs/dbraw/zinc/80/18/74/385801874.db2.gz UZEYGKCFDCBZLU-UWVGGRQHSA-N 2 2 236.381 0.207 20 0 BCADLP C[C@H](C[NH2+][C@@H](C)CS(C)(=O)=O)C[NH+](C)C ZINC000336712532 385801911 /nfs/dbraw/zinc/80/19/11/385801911.db2.gz UZEYGKCFDCBZLU-ZJUUUORDSA-N 2 2 236.381 0.207 20 0 BCADLP C[C@H](C[NH2+][C@H](C)CS(C)(=O)=O)C[NH+](C)C ZINC000336712523 385803809 /nfs/dbraw/zinc/80/38/09/385803809.db2.gz UZEYGKCFDCBZLU-NXEZZACHSA-N 2 2 236.381 0.207 20 0 BCADLP C[N@@H+](CCc1cnccn1)CCn1cc[nH+]c1 ZINC000271360784 385820682 /nfs/dbraw/zinc/82/06/82/385820682.db2.gz PVUNFGCYYQVXPY-UHFFFAOYSA-N 2 2 231.303 0.848 20 0 BCADLP C[N@H+](CCc1cnccn1)CCn1cc[nH+]c1 ZINC000271360784 385820692 /nfs/dbraw/zinc/82/06/92/385820692.db2.gz PVUNFGCYYQVXPY-UHFFFAOYSA-N 2 2 231.303 0.848 20 0 BCADLP Cc1noc([C@H](C)[NH2+]CCn2cc[nH+]c2)n1 ZINC000336737855 385825319 /nfs/dbraw/zinc/82/53/19/385825319.db2.gz JWHHFHMYTUBFRC-QMMMGPOBSA-N 2 2 221.264 0.925 20 0 BCADLP CN(C)c1ccc(CNC(=O)[C@H]2CCC[NH2+]2)c[nH+]1 ZINC000261761376 385829473 /nfs/dbraw/zinc/82/94/73/385829473.db2.gz RELDNNHFRNHBPD-LLVKDONJSA-N 2 2 248.330 0.516 20 0 BCADLP COC(=O)[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000095020889 385831531 /nfs/dbraw/zinc/83/15/31/385831531.db2.gz GTGOOAZHSWVVDO-SNVBAGLBSA-N 2 2 223.276 0.378 20 0 BCADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000414954808 385831552 /nfs/dbraw/zinc/83/15/52/385831552.db2.gz LDUMNYBAYLIOHP-SNVBAGLBSA-N 2 2 235.331 0.873 20 0 BCADLP Nc1ccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c[nH+]1 ZINC000261948899 385833681 /nfs/dbraw/zinc/83/36/81/385833681.db2.gz GSTYLOBWZDXSEU-PSASIEDQSA-N 2 2 234.303 0.977 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cnn[nH]1 ZINC000283996139 385845735 /nfs/dbraw/zinc/84/57/35/385845735.db2.gz NCNXBDJTHRXHFZ-UHFFFAOYSA-N 2 2 220.280 0.523 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)Cc1c[nH]nn1 ZINC000283996139 385845739 /nfs/dbraw/zinc/84/57/39/385845739.db2.gz NCNXBDJTHRXHFZ-UHFFFAOYSA-N 2 2 220.280 0.523 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1c[nH]nn1 ZINC000283996139 385845741 /nfs/dbraw/zinc/84/57/41/385845741.db2.gz NCNXBDJTHRXHFZ-UHFFFAOYSA-N 2 2 220.280 0.523 20 0 BCADLP C[C@@H](C[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000262524294 385854277 /nfs/dbraw/zinc/85/42/77/385854277.db2.gz JVXUZQYCENKIHV-VIFPVBQESA-N 2 2 245.286 0.344 20 0 BCADLP CN(CC(F)(F)F)C(=O)C[N@H+](C)CCC[NH3+] ZINC000647848060 385898252 /nfs/dbraw/zinc/89/82/52/385898252.db2.gz BFHLZAWLXIPNOF-UHFFFAOYSA-N 2 2 241.257 0.288 20 0 BCADLP CN(CC(F)(F)F)C(=O)C[N@@H+](C)CCC[NH3+] ZINC000647848060 385898255 /nfs/dbraw/zinc/89/82/55/385898255.db2.gz BFHLZAWLXIPNOF-UHFFFAOYSA-N 2 2 241.257 0.288 20 0 BCADLP C[N@H+](CCC[NH3+])[C@H](C(N)=O)c1ccc(F)cc1 ZINC000647848363 385898376 /nfs/dbraw/zinc/89/83/76/385898376.db2.gz NQORXSBPXJETPG-NSHDSACASA-N 2 2 239.294 0.633 20 0 BCADLP C[N@@H+](CCC[NH3+])[C@H](C(N)=O)c1ccc(F)cc1 ZINC000647848363 385898379 /nfs/dbraw/zinc/89/83/79/385898379.db2.gz NQORXSBPXJETPG-NSHDSACASA-N 2 2 239.294 0.633 20 0 BCADLP C[C@H]([NH2+][C@@H]1CCCCNC1=O)[C@H]1CCC[NH2+]1 ZINC000333258118 385906458 /nfs/dbraw/zinc/90/64/58/385906458.db2.gz IJAROIIXPXHEOG-HBNTYKKESA-N 2 2 225.336 0.385 20 0 BCADLP CC(C)[N@H+](C)CC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000647735827 385878098 /nfs/dbraw/zinc/87/80/98/385878098.db2.gz NTPFZZAPGJSWPC-UHFFFAOYSA-N 2 2 236.319 0.635 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000647735827 385878102 /nfs/dbraw/zinc/87/81/02/385878102.db2.gz NTPFZZAPGJSWPC-UHFFFAOYSA-N 2 2 236.319 0.635 20 0 BCADLP CC(C)[N@H+](C)CC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000647735827 385878103 /nfs/dbraw/zinc/87/81/03/385878103.db2.gz NTPFZZAPGJSWPC-UHFFFAOYSA-N 2 2 236.319 0.635 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000647735827 385878108 /nfs/dbraw/zinc/87/81/08/385878108.db2.gz NTPFZZAPGJSWPC-UHFFFAOYSA-N 2 2 236.319 0.635 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251703359 385978692 /nfs/dbraw/zinc/97/86/92/385978692.db2.gz IZZPEGKWHABLAP-GRYCIOLGSA-N 2 2 241.379 0.816 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251703359 385978700 /nfs/dbraw/zinc/97/87/00/385978700.db2.gz IZZPEGKWHABLAP-GRYCIOLGSA-N 2 2 241.379 0.816 20 0 BCADLP COc1nccnc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000295148032 385979211 /nfs/dbraw/zinc/97/92/11/385979211.db2.gz JGVOBTFBMJPICZ-SNVBAGLBSA-N 2 2 238.335 0.915 20 0 BCADLP CC(C)CNC(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000647926836 385986190 /nfs/dbraw/zinc/98/61/90/385986190.db2.gz OJQJSTRVFFWYGB-UHFFFAOYSA-N 2 2 227.352 0.572 20 0 BCADLP CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342120427 385932771 /nfs/dbraw/zinc/93/27/71/385932771.db2.gz IBBULINEMXZCEP-NXEZZACHSA-N 2 2 227.352 0.761 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H]2CC[NH2+]CC2(C)C)c[nH+]1 ZINC000335045151 385938811 /nfs/dbraw/zinc/93/88/11/385938811.db2.gz ZIWCSXIDFWIJMK-JTQLQIEISA-N 2 2 236.319 0.836 20 0 BCADLP CN(C(=O)C[NH+]1CCC(C)([NH3+])CC1)C1CC1 ZINC000647924295 385950512 /nfs/dbraw/zinc/95/05/12/385950512.db2.gz VEDBEPKZURQNFO-UHFFFAOYSA-N 2 2 225.336 0.420 20 0 BCADLP C[C@@H](C[NH+]1CCC(C)([NH3+])CC1)CS(C)(=O)=O ZINC000647924795 385958959 /nfs/dbraw/zinc/95/89/59/385958959.db2.gz KPICFFJKBIMLQG-JTQLQIEISA-N 2 2 248.392 0.480 20 0 BCADLP CC1([NH3+])CC[NH+](CC(=O)NCC2CCC2)CC1 ZINC000647924840 385958972 /nfs/dbraw/zinc/95/89/72/385958972.db2.gz OQOMVFQNFPATQX-UHFFFAOYSA-N 2 2 239.363 0.716 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)NC(C)(C)C[NH3+] ZINC000334823097 385960758 /nfs/dbraw/zinc/96/07/58/385960758.db2.gz VQGRZDGHGAAXHK-UHFFFAOYSA-N 2 2 222.292 0.671 20 0 BCADLP CC[NH+](CC)CCC[N@H+](C)[C@H]1CCN(C)C1=O ZINC000338319743 385966719 /nfs/dbraw/zinc/96/67/19/385966719.db2.gz RQVQUJSHBCBOIZ-LBPRGKRZSA-N 2 2 241.379 0.881 20 0 BCADLP CC[NH+](CC)CCC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000338319743 385966730 /nfs/dbraw/zinc/96/67/30/385966730.db2.gz RQVQUJSHBCBOIZ-LBPRGKRZSA-N 2 2 241.379 0.881 20 0 BCADLP C[C@@H](C[NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000285822524 385969903 /nfs/dbraw/zinc/96/99/03/385969903.db2.gz TYHKZOVDYQVOSN-JTQLQIEISA-N 2 2 236.319 0.595 20 0 BCADLP CCO[C@@H]1COC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000451946264 385969909 /nfs/dbraw/zinc/96/99/09/385969909.db2.gz LDGKGNVHMIEFKZ-VXGBXAGGSA-N 2 2 239.319 0.667 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]CN1CCC(=O)CC1 ZINC000273121151 385972141 /nfs/dbraw/zinc/97/21/41/385972141.db2.gz SOUFKNWSMQWPOS-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CC1([NH+](C)C)CCC1 ZINC000336747355 385973260 /nfs/dbraw/zinc/97/32/60/385973260.db2.gz CLNUIUOZXJJNOH-SECBINFHSA-N 2 2 213.325 0.324 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CC[C@H]2CCCCO2)CCO1 ZINC000647865697 385997083 /nfs/dbraw/zinc/99/70/83/385997083.db2.gz QGSVJOXQUJMTDE-XQQFMLRXSA-N 2 2 242.363 0.994 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)CCO1 ZINC000647865697 385997086 /nfs/dbraw/zinc/99/70/86/385997086.db2.gz QGSVJOXQUJMTDE-XQQFMLRXSA-N 2 2 242.363 0.994 20 0 BCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1nccs1 ZINC000336750387 386003622 /nfs/dbraw/zinc/00/36/22/386003622.db2.gz UUJLVSOLAXPFKC-ONGXEEELSA-N 2 2 241.360 0.860 20 0 BCADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(C(=O)OC)o1 ZINC000414975044 386006521 /nfs/dbraw/zinc/00/65/21/386006521.db2.gz FPZWVBDLPAQNTB-MRVPVSSYSA-N 2 2 226.276 0.893 20 0 BCADLP CC[C@]1(C(=O)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000128672301 386008029 /nfs/dbraw/zinc/00/80/29/386008029.db2.gz NHODBYDVXSEQTH-GFCCVEGCSA-N 2 2 225.336 0.293 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000336752105 386014094 /nfs/dbraw/zinc/01/40/94/386014094.db2.gz VLFQIOVZQFKHSB-QWRGUYRKSA-N 2 2 227.352 0.714 20 0 BCADLP C[NH+]1CCC([NH2+]CC2([S@](C)=O)CCC2)CC1 ZINC000336752643 386019233 /nfs/dbraw/zinc/01/92/33/386019233.db2.gz DOINOAFGERTTEN-INIZCTEOSA-N 2 2 244.404 0.971 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2nncn2C)[C@H](C)C1 ZINC000345170309 386036872 /nfs/dbraw/zinc/03/68/72/386036872.db2.gz QVIQVHNWXRUJHY-MNOVXSKESA-N 2 2 237.351 0.635 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+]Cc2nncn2C)[C@H](C)C1 ZINC000345170309 386036875 /nfs/dbraw/zinc/03/68/75/386036875.db2.gz QVIQVHNWXRUJHY-MNOVXSKESA-N 2 2 237.351 0.635 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nncn2C)[C@@H](C)C1 ZINC000345170314 386038361 /nfs/dbraw/zinc/03/83/61/386038361.db2.gz QVIQVHNWXRUJHY-WDEREUQCSA-N 2 2 237.351 0.635 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2nncn2C)[C@@H](C)C1 ZINC000345170314 386038364 /nfs/dbraw/zinc/03/83/64/386038364.db2.gz QVIQVHNWXRUJHY-WDEREUQCSA-N 2 2 237.351 0.635 20 0 BCADLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC000414986163 386101330 /nfs/dbraw/zinc/10/13/30/386101330.db2.gz XLUKLZJKDZOCGQ-QMMMGPOBSA-N 2 2 225.292 0.628 20 0 BCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000345833810 386119506 /nfs/dbraw/zinc/11/95/06/386119506.db2.gz BHBNKNUMALVGDF-USZNOCQGSA-N 2 2 239.363 0.441 20 0 BCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000345833810 386119508 /nfs/dbraw/zinc/11/95/08/386119508.db2.gz BHBNKNUMALVGDF-USZNOCQGSA-N 2 2 239.363 0.441 20 0 BCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000345833907 386119522 /nfs/dbraw/zinc/11/95/22/386119522.db2.gz BHBNKNUMALVGDF-WHOHXGKFSA-N 2 2 239.363 0.441 20 0 BCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000345833907 386119526 /nfs/dbraw/zinc/11/95/26/386119526.db2.gz BHBNKNUMALVGDF-WHOHXGKFSA-N 2 2 239.363 0.441 20 0 BCADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000638587093 386058811 /nfs/dbraw/zinc/05/88/11/386058811.db2.gz YSPMZVWQAPOUSO-LBPRGKRZSA-N 2 2 241.379 0.977 20 0 BCADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000638587093 386058819 /nfs/dbraw/zinc/05/88/19/386058819.db2.gz YSPMZVWQAPOUSO-LBPRGKRZSA-N 2 2 241.379 0.977 20 0 BCADLP Cc1cc(NC(=O)N[C@H](C)CC[NH3+])cc[nH+]1 ZINC000415405720 386060863 /nfs/dbraw/zinc/06/08/63/386060863.db2.gz YZWWXDKQIQIHHZ-MRVPVSSYSA-N 2 2 222.292 0.671 20 0 BCADLP CC1(C)NC(=O)CC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000338590661 386065062 /nfs/dbraw/zinc/06/50/62/386065062.db2.gz CMAXFOZJDQKKJJ-LLVKDONJSA-N 2 2 239.363 0.729 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)NC[C@H](C)C[NH3+] ZINC000415385848 386071078 /nfs/dbraw/zinc/07/10/78/386071078.db2.gz OQQOOITUZYHAAK-MRVPVSSYSA-N 2 2 222.292 0.528 20 0 BCADLP Cc1cc(NC(=O)NCC(F)(F)C[NH3+])cc[nH+]1 ZINC000415390716 386071442 /nfs/dbraw/zinc/07/14/42/386071442.db2.gz GVNCOZWHQFRTBK-UHFFFAOYSA-N 2 2 244.245 0.527 20 0 BCADLP Cc1cc(NC(=O)N[C@H](C[NH3+])C2CC2)cc[nH+]1 ZINC000415395184 386073394 /nfs/dbraw/zinc/07/33/94/386073394.db2.gz MEEFWPZZOKOGMB-LLVKDONJSA-N 2 2 234.303 0.671 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1[nH+]ccn1C ZINC000334441498 386073777 /nfs/dbraw/zinc/07/37/77/386073777.db2.gz LGCHMINGJPMPIK-WDEREUQCSA-N 2 2 222.336 0.945 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1[nH+]ccn1C ZINC000334441498 386073785 /nfs/dbraw/zinc/07/37/85/386073785.db2.gz LGCHMINGJPMPIK-WDEREUQCSA-N 2 2 222.336 0.945 20 0 BCADLP C[NH2+]C[C@@H](C)CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000415400041 386073900 /nfs/dbraw/zinc/07/39/00/386073900.db2.gz SLPSZAJEYPUXPM-SECBINFHSA-N 2 2 236.319 0.789 20 0 BCADLP O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2CCn1cc[nH+]c1 ZINC000334476041 386154489 /nfs/dbraw/zinc/15/44/89/386154489.db2.gz MXUDWEOLPFELTA-GHMZBOCLSA-N 2 2 234.303 0.094 20 0 BCADLP O=C1NC[C@@H]2[C@H]1CCC[N@H+]2CCn1cc[nH+]c1 ZINC000334476041 386154496 /nfs/dbraw/zinc/15/44/96/386154496.db2.gz MXUDWEOLPFELTA-GHMZBOCLSA-N 2 2 234.303 0.094 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+](CCO)C1CC1 ZINC000414675682 386154893 /nfs/dbraw/zinc/15/48/93/386154893.db2.gz MIHACCAVQVZAMA-SNVBAGLBSA-N 2 2 200.326 0.817 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+](CCO)C1CC1 ZINC000414675682 386154897 /nfs/dbraw/zinc/15/48/97/386154897.db2.gz MIHACCAVQVZAMA-SNVBAGLBSA-N 2 2 200.326 0.817 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+](CCO)C1CC1 ZINC000414675680 386155361 /nfs/dbraw/zinc/15/53/61/386155361.db2.gz MIHACCAVQVZAMA-JTQLQIEISA-N 2 2 200.326 0.817 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+](CCO)C1CC1 ZINC000414675680 386155365 /nfs/dbraw/zinc/15/53/65/386155365.db2.gz MIHACCAVQVZAMA-JTQLQIEISA-N 2 2 200.326 0.817 20 0 BCADLP Cc1nc(N2CCC([NH+](C)C)CC2)nc(N)[nH+]1 ZINC000310256460 386166404 /nfs/dbraw/zinc/16/64/04/386166404.db2.gz PJRBSNMNEWGKJF-UHFFFAOYSA-N 2 2 236.323 0.293 20 0 BCADLP Cc1nc(N)nc(N2CCC([NH+](C)C)CC2)[nH+]1 ZINC000310256460 386166409 /nfs/dbraw/zinc/16/64/09/386166409.db2.gz PJRBSNMNEWGKJF-UHFFFAOYSA-N 2 2 236.323 0.293 20 0 BCADLP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CC[C@@H]1O ZINC000164615802 386171344 /nfs/dbraw/zinc/17/13/44/386171344.db2.gz TUSJHCOMCVGYIA-NEPJUHHUSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CC[C@@H]1O ZINC000164615802 386171345 /nfs/dbraw/zinc/17/13/45/386171345.db2.gz TUSJHCOMCVGYIA-NEPJUHHUSA-N 2 2 223.320 0.976 20 0 BCADLP CC(C)C[C@H]([NH3+])CN(C)CC[NH+]1CCOCC1 ZINC000414688395 386177333 /nfs/dbraw/zinc/17/73/33/386177333.db2.gz DFBMYRSIZAXBIQ-ZDUSSCGKSA-N 2 2 243.395 0.624 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+](C)CCN1CCOCC1 ZINC000414688395 386177336 /nfs/dbraw/zinc/17/73/36/386177336.db2.gz DFBMYRSIZAXBIQ-ZDUSSCGKSA-N 2 2 243.395 0.624 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)CCN1CCOCC1 ZINC000414688395 386177342 /nfs/dbraw/zinc/17/73/42/386177342.db2.gz DFBMYRSIZAXBIQ-ZDUSSCGKSA-N 2 2 243.395 0.624 20 0 BCADLP C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[NH2+]1 ZINC000310390210 386178747 /nfs/dbraw/zinc/17/87/47/386178747.db2.gz KWMJZTAVNAIKDF-QWRGUYRKSA-N 2 2 236.319 0.530 20 0 BCADLP C[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)[NH+](C)C ZINC000287468624 386126162 /nfs/dbraw/zinc/12/61/62/386126162.db2.gz YDJQRUNZGPELPY-VIFPVBQESA-N 2 2 224.308 0.409 20 0 BCADLP CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414674584 386142861 /nfs/dbraw/zinc/14/28/61/386142861.db2.gz KSCQNTXLDMDKBP-RYUDHWBXSA-N 2 2 241.379 0.960 20 0 BCADLP CNC(=O)[C@@H]1CCCC[N@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414674584 386142864 /nfs/dbraw/zinc/14/28/64/386142864.db2.gz KSCQNTXLDMDKBP-RYUDHWBXSA-N 2 2 241.379 0.960 20 0 BCADLP [NH3+]CCOCC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000647880910 386202373 /nfs/dbraw/zinc/20/23/73/386202373.db2.gz BAEXCIHEGHKDFK-LLVKDONJSA-N 2 2 238.335 0.564 20 0 BCADLP [NH3+]CCOCC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000647880910 386202376 /nfs/dbraw/zinc/20/23/76/386202376.db2.gz BAEXCIHEGHKDFK-LLVKDONJSA-N 2 2 238.335 0.564 20 0 BCADLP C[NH+](C)CC1CC[NH+](Cc2cnn[nH]2)CC1 ZINC000340285326 386204230 /nfs/dbraw/zinc/20/42/30/386204230.db2.gz XPBFXMUAOVWKTQ-UHFFFAOYSA-N 2 2 223.324 0.578 20 0 BCADLP C[NH+](C)CC1CC[NH+](Cc2c[nH]nn2)CC1 ZINC000340285326 386204236 /nfs/dbraw/zinc/20/42/36/386204236.db2.gz XPBFXMUAOVWKTQ-UHFFFAOYSA-N 2 2 223.324 0.578 20 0 BCADLP C[NH+](C)CC1CC[NH+](Cc2cn[nH]n2)CC1 ZINC000340285326 386204239 /nfs/dbraw/zinc/20/42/39/386204239.db2.gz XPBFXMUAOVWKTQ-UHFFFAOYSA-N 2 2 223.324 0.578 20 0 BCADLP C[C@H]1C[N@H+](Cc2cnc3cnccn23)CC[C@@H]1[NH3+] ZINC000347054498 386206246 /nfs/dbraw/zinc/20/62/46/386206246.db2.gz SWVYZBOFWXVHLS-JQWIXIFHSA-N 2 2 245.330 0.898 20 0 BCADLP C[C@H]1C[N@@H+](Cc2cnc3cnccn23)CC[C@@H]1[NH3+] ZINC000347054498 386206250 /nfs/dbraw/zinc/20/62/50/386206250.db2.gz SWVYZBOFWXVHLS-JQWIXIFHSA-N 2 2 245.330 0.898 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000296925806 386213256 /nfs/dbraw/zinc/21/32/56/386213256.db2.gz AUQQVUICYUZFKK-UHFFFAOYSA-N 2 2 236.319 0.551 20 0 BCADLP CC(C)[C@@H]([NH3+])C(=O)NCCc1[nH]cc[nH+]1 ZINC000125143881 386229870 /nfs/dbraw/zinc/22/98/70/386229870.db2.gz CBWQXAMJWKUWNJ-SECBINFHSA-N 2 2 210.281 0.052 20 0 BCADLP Cn1cc(C[N@H+](C)CCC[NH+](C)C)cn1 ZINC000336646669 386254001 /nfs/dbraw/zinc/25/40/01/386254001.db2.gz KZWHZAWLVDOOPU-UHFFFAOYSA-N 2 2 210.325 0.804 20 0 BCADLP Cn1cc(C[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000336646669 386254005 /nfs/dbraw/zinc/25/40/05/386254005.db2.gz KZWHZAWLVDOOPU-UHFFFAOYSA-N 2 2 210.325 0.804 20 0 BCADLP C[N@H+](C[C@@H]1CCCO1)C1CC[NH+](CCO)CC1 ZINC000338970900 386192925 /nfs/dbraw/zinc/19/29/25/386192925.db2.gz BTEKNFPDLWBAKU-ZDUSSCGKSA-N 2 2 242.363 0.554 20 0 BCADLP C[N@@H+](C[C@@H]1CCCO1)C1CC[NH+](CCO)CC1 ZINC000338970900 386192929 /nfs/dbraw/zinc/19/29/29/386192929.db2.gz BTEKNFPDLWBAKU-ZDUSSCGKSA-N 2 2 242.363 0.554 20 0 BCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cn[nH]c1 ZINC000275248779 386196258 /nfs/dbraw/zinc/19/62/58/386196258.db2.gz YERUHSUZDMZNHM-ZYHUDNBSSA-N 2 2 238.335 0.517 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000414736950 386304401 /nfs/dbraw/zinc/30/44/01/386304401.db2.gz HZEGDHMXTYFQRM-WOPDTQHZSA-N 2 2 241.379 0.946 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000414736950 386304404 /nfs/dbraw/zinc/30/44/04/386304404.db2.gz HZEGDHMXTYFQRM-WOPDTQHZSA-N 2 2 241.379 0.946 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@H]([NH+](C)C)C1 ZINC000289433669 386305188 /nfs/dbraw/zinc/30/51/88/386305188.db2.gz LBXJBKHVQMQACM-JTQLQIEISA-N 2 2 208.309 0.556 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](O)C1 ZINC000289486598 386314872 /nfs/dbraw/zinc/31/48/72/386314872.db2.gz CEGLNSNZYBXIIO-NSHDSACASA-N 2 2 209.293 0.419 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](O)C1 ZINC000289486598 386314874 /nfs/dbraw/zinc/31/48/74/386314874.db2.gz CEGLNSNZYBXIIO-NSHDSACASA-N 2 2 209.293 0.419 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000335261539 386319890 /nfs/dbraw/zinc/31/98/90/386319890.db2.gz ZLUKAYMGPOFGKI-WPRPVWTQSA-N 2 2 236.319 0.836 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000414739069 386322863 /nfs/dbraw/zinc/32/28/63/386322863.db2.gz JVTAPCWUTRLYJY-GHMZBOCLSA-N 2 2 212.337 0.817 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000414739069 386322870 /nfs/dbraw/zinc/32/28/70/386322870.db2.gz JVTAPCWUTRLYJY-GHMZBOCLSA-N 2 2 212.337 0.817 20 0 BCADLP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414902071 386323522 /nfs/dbraw/zinc/32/35/22/386323522.db2.gz JKXKWTFNKRIZPJ-TUAOUCFPSA-N 3 2 211.353 0.859 20 0 BCADLP CC[NH+](CC)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264780936 386271050 /nfs/dbraw/zinc/27/10/50/386271050.db2.gz WNBJLDDQMVKJMP-UHFFFAOYSA-N 2 2 224.308 0.790 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@@H](C)[NH+](C)C)c[nH+]1 ZINC000264871172 386279164 /nfs/dbraw/zinc/27/91/64/386279164.db2.gz RDPYVJMYBHFPKD-SSDOTTSWSA-N 2 2 210.281 0.398 20 0 BCADLP Cc1noc(CCC[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)n1 ZINC000647987663 386279254 /nfs/dbraw/zinc/27/92/54/386279254.db2.gz PCIOPABKMXXYSZ-PSASIEDQSA-N 2 2 224.308 0.590 20 0 BCADLP Cc1noc(CCC[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)n1 ZINC000647987663 386279258 /nfs/dbraw/zinc/27/92/58/386279258.db2.gz PCIOPABKMXXYSZ-PSASIEDQSA-N 2 2 224.308 0.590 20 0 BCADLP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000335279046 386349335 /nfs/dbraw/zinc/34/93/35/386349335.db2.gz OSOIDVQKMKJLOR-RKDXNWHRSA-N 3 2 219.279 0.183 20 0 BCADLP C1CC[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C[NH2+]C1 ZINC000335269929 386353799 /nfs/dbraw/zinc/35/37/99/386353799.db2.gz LAGXQZWVISDQHK-NWDGAFQWSA-N 3 2 211.353 0.860 20 0 BCADLP C[C@H]1CCNC(=O)[C@H]1[NH2+]CC[NH2+]C(C)(C)C ZINC000414747475 386353828 /nfs/dbraw/zinc/35/38/28/386353828.db2.gz UHICTVGWAUYEPI-UWVGGRQHSA-N 2 2 227.352 0.489 20 0 BCADLP CN(CC[NH+]1CCCC1)Cc1c[nH+]cn1C ZINC000336693514 386369236 /nfs/dbraw/zinc/36/92/36/386369236.db2.gz DDWIYVSJCCIPPY-UHFFFAOYSA-N 2 2 222.336 0.948 20 0 BCADLP Cn1c[nH+]cc1CCC(=O)NCCC[NH+](C)C ZINC000276727072 386370286 /nfs/dbraw/zinc/37/02/86/386370286.db2.gz SRISWRRADYVDLA-UHFFFAOYSA-N 2 2 238.335 0.421 20 0 BCADLP C[C@H](CNC(=O)C(C)(C)[NH3+])Cn1cc[nH+]c1 ZINC000237375841 386372041 /nfs/dbraw/zinc/37/20/41/386372041.db2.gz MOGRJJUUGLLGQP-SECBINFHSA-N 2 2 224.308 0.373 20 0 BCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccco1 ZINC000336743458 386375359 /nfs/dbraw/zinc/37/53/59/386375359.db2.gz PEQCJUSIHGFFPP-PWSUYJOCSA-N 2 2 224.304 0.997 20 0 BCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccco1 ZINC000336743458 386375365 /nfs/dbraw/zinc/37/53/65/386375365.db2.gz PEQCJUSIHGFFPP-PWSUYJOCSA-N 2 2 224.304 0.997 20 0 BCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000289967424 386377937 /nfs/dbraw/zinc/37/79/37/386377937.db2.gz NDRKKNBPIKFOAO-WDEREUQCSA-N 2 2 236.319 0.387 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCCCO1 ZINC000133918326 386378836 /nfs/dbraw/zinc/37/88/36/386378836.db2.gz PETWFIHRKYNVKH-UPJWGTAASA-N 2 2 242.363 0.912 20 0 BCADLP CC[N@H+](CCOCCO)C[C@H]([NH3+])CC(C)C ZINC000414741776 386328817 /nfs/dbraw/zinc/32/88/17/386328817.db2.gz FRPKKTXSSZZYIL-GFCCVEGCSA-N 2 2 232.368 0.691 20 0 BCADLP CC[N@@H+](CCOCCO)C[C@H]([NH3+])CC(C)C ZINC000414741776 386328822 /nfs/dbraw/zinc/32/88/22/386328822.db2.gz FRPKKTXSSZZYIL-GFCCVEGCSA-N 2 2 232.368 0.691 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000519425615 386443194 /nfs/dbraw/zinc/44/31/94/386443194.db2.gz YYINDPNPXSQRSV-XSRFYTQQSA-N 2 2 239.363 0.666 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000519425615 386443199 /nfs/dbraw/zinc/44/31/99/386443199.db2.gz YYINDPNPXSQRSV-XSRFYTQQSA-N 2 2 239.363 0.666 20 0 BCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC[NH+](C)C ZINC000166087857 386390374 /nfs/dbraw/zinc/39/03/74/386390374.db2.gz MUAZWAJHSFOMFR-NWDGAFQWSA-N 3 2 229.368 0.295 20 0 BCADLP CCCN1CCC[N@H+](C[C@H]2CC[NH2+]C2)CC1=O ZINC000647990837 386394225 /nfs/dbraw/zinc/39/42/25/386394225.db2.gz LTLBKNZDPTVAED-LBPRGKRZSA-N 2 2 239.363 0.540 20 0 BCADLP CCCN1CCC[N@@H+](C[C@H]2CC[NH2+]C2)CC1=O ZINC000647990837 386394227 /nfs/dbraw/zinc/39/42/27/386394227.db2.gz LTLBKNZDPTVAED-LBPRGKRZSA-N 2 2 239.363 0.540 20 0 BCADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000336704877 386395185 /nfs/dbraw/zinc/39/51/85/386395185.db2.gz QUSCVGBRRBPUGO-LLVKDONJSA-N 2 2 209.293 0.994 20 0 BCADLP CC(C)N(C)C(=O)C1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000442643476 386396122 /nfs/dbraw/zinc/39/61/22/386396122.db2.gz ACNAPPMACBMYCI-NSHDSACASA-N 2 2 241.379 0.912 20 0 BCADLP CC[N@H+](C[C@@H]([NH3+])CC(C)C)[C@H]1CCNC1=O ZINC000414760922 386418946 /nfs/dbraw/zinc/41/89/46/386418946.db2.gz HXZUYMQKOVGUQZ-QWRGUYRKSA-N 2 2 227.352 0.570 20 0 BCADLP CC[N@@H+](C[C@@H]([NH3+])CC(C)C)[C@H]1CCNC1=O ZINC000414760922 386418955 /nfs/dbraw/zinc/41/89/55/386418955.db2.gz HXZUYMQKOVGUQZ-QWRGUYRKSA-N 2 2 227.352 0.570 20 0 BCADLP C[NH+](C)C[C@H]1C[N@H+](C[C@@H]2CCOC2)CCO1 ZINC000336709326 386423346 /nfs/dbraw/zinc/42/33/46/386423346.db2.gz WSIJLQJBEUHXKK-RYUDHWBXSA-N 2 2 228.336 0.285 20 0 BCADLP C[NH+](C)C[C@H]1C[N@@H+](C[C@@H]2CCOC2)CCO1 ZINC000336709326 386423351 /nfs/dbraw/zinc/42/33/51/386423351.db2.gz WSIJLQJBEUHXKK-RYUDHWBXSA-N 2 2 228.336 0.285 20 0 BCADLP CC[NH+](CC)CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000299236392 386429017 /nfs/dbraw/zinc/42/90/17/386429017.db2.gz HIJPXRCJYOMNKQ-LLVKDONJSA-N 2 2 238.335 0.730 20 0 BCADLP C[N@H+](CC(=O)N1CCCCC1)CC(C)(C)C[NH3+] ZINC000093874230 386429387 /nfs/dbraw/zinc/42/93/87/386429387.db2.gz CTRLAOSPCANWLK-UHFFFAOYSA-N 2 2 241.379 0.916 20 0 BCADLP C[N@@H+](CC(=O)N1CCCCC1)CC(C)(C)C[NH3+] ZINC000093874230 386429392 /nfs/dbraw/zinc/42/93/92/386429392.db2.gz CTRLAOSPCANWLK-UHFFFAOYSA-N 2 2 241.379 0.916 20 0 BCADLP CC[NH+](CC)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000277398049 386434108 /nfs/dbraw/zinc/43/41/08/386434108.db2.gz IVTXDKBOQVEXTQ-AATRIKPKSA-N 2 2 236.319 0.881 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CCn1cc[nH+]c1 ZINC000299647963 386477219 /nfs/dbraw/zinc/47/72/19/386477219.db2.gz KCNXVNXZVIEPFJ-LLVKDONJSA-N 2 2 247.302 0.675 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266901331 386478793 /nfs/dbraw/zinc/47/87/93/386478793.db2.gz GQFYHDCIIPEULD-DTWKUNHWSA-N 2 2 222.292 0.463 20 0 BCADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266901331 386478798 /nfs/dbraw/zinc/47/87/98/386478798.db2.gz GQFYHDCIIPEULD-DTWKUNHWSA-N 2 2 222.292 0.463 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266901333 386479407 /nfs/dbraw/zinc/47/94/07/386479407.db2.gz GQFYHDCIIPEULD-IUCAKERBSA-N 2 2 222.292 0.463 20 0 BCADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266901333 386479411 /nfs/dbraw/zinc/47/94/11/386479411.db2.gz GQFYHDCIIPEULD-IUCAKERBSA-N 2 2 222.292 0.463 20 0 BCADLP CCn1nc(C)c(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1C ZINC000415042456 386529181 /nfs/dbraw/zinc/52/91/81/386529181.db2.gz SLHWAGRINOXEIW-ITGUQSILSA-N 2 2 234.347 0.827 20 0 BCADLP CN(Cc1[nH+]ccn1C)C[C@@H]1CCC[NH2+]C1 ZINC000062252259 386507066 /nfs/dbraw/zinc/50/70/66/386507066.db2.gz SMLVQZUGSIIJEP-LLVKDONJSA-N 2 2 222.336 0.852 20 0 BCADLP Cc1c[nH]nc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000335447311 386514801 /nfs/dbraw/zinc/51/48/01/386514801.db2.gz DPQAQYJYHPDZBY-GHMZBOCLSA-N 2 2 220.320 0.759 20 0 BCADLP Cc1c[nH]nc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000335447311 386514808 /nfs/dbraw/zinc/51/48/08/386514808.db2.gz DPQAQYJYHPDZBY-GHMZBOCLSA-N 2 2 220.320 0.759 20 0 BCADLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415044422 386530236 /nfs/dbraw/zinc/53/02/36/386530236.db2.gz VDZNMZDYHJTLEP-LVEVGFFFSA-N 3 2 209.337 0.324 20 0 BCADLP Cc1c[nH]nc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000335449339 386519781 /nfs/dbraw/zinc/51/97/81/386519781.db2.gz ZNQXNYPYWAQSEO-GHMZBOCLSA-N 2 2 220.320 0.902 20 0 BCADLP Cc1c[nH]nc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000335449339 386519785 /nfs/dbraw/zinc/51/97/85/386519785.db2.gz ZNQXNYPYWAQSEO-GHMZBOCLSA-N 2 2 220.320 0.902 20 0 BCADLP CO[C@]1(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)CCOC1 ZINC000336757003 386577906 /nfs/dbraw/zinc/57/79/06/386577906.db2.gz HJUZWUJNIQYMQP-WOPDTQHZSA-N 2 2 228.336 0.332 20 0 BCADLP CO[C@]1(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CCOC1 ZINC000336757003 386577911 /nfs/dbraw/zinc/57/79/11/386577911.db2.gz HJUZWUJNIQYMQP-WOPDTQHZSA-N 2 2 228.336 0.332 20 0 BCADLP c1cn(CC[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c[nH+]1 ZINC000335420856 386592151 /nfs/dbraw/zinc/59/21/51/386592151.db2.gz CKFAKEOKDODYLZ-NEPJUHHUSA-N 2 2 221.304 0.994 20 0 BCADLP c1cn(CC[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c[nH+]1 ZINC000335420856 386592157 /nfs/dbraw/zinc/59/21/57/386592157.db2.gz CKFAKEOKDODYLZ-NEPJUHHUSA-N 2 2 221.304 0.994 20 0 BCADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000414802317 386594806 /nfs/dbraw/zinc/59/48/06/386594806.db2.gz MRVIPYMXZGTSPO-SDDRHHMPSA-N 3 2 211.353 0.846 20 0 BCADLP CN(Cc1[nH+]ccn1C)C[C@]1(C)CC[NH2+]C1 ZINC000062912552 386532696 /nfs/dbraw/zinc/53/26/96/386532696.db2.gz HXRNKHKXHQCELS-GFCCVEGCSA-N 2 2 222.336 0.852 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N(C)CCC[NH3+] ZINC000519712919 386533206 /nfs/dbraw/zinc/53/32/06/386533206.db2.gz PKDSVAVTFCAXAM-UHFFFAOYSA-N 2 2 222.292 0.624 20 0 BCADLP C[N@@H+](Cc1cccc2c1OCO2)C[C@H](O)C[NH3+] ZINC000415056829 386537086 /nfs/dbraw/zinc/53/70/86/386537086.db2.gz OREASKUFRYSFGY-SNVBAGLBSA-N 2 2 238.287 0.167 20 0 BCADLP C[N@H+](Cc1cccc2c1OCO2)C[C@H](O)C[NH3+] ZINC000415056829 386537091 /nfs/dbraw/zinc/53/70/91/386537091.db2.gz OREASKUFRYSFGY-SNVBAGLBSA-N 2 2 238.287 0.167 20 0 BCADLP CNC(=O)c1cccc(C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000415084262 386596842 /nfs/dbraw/zinc/59/68/42/386596842.db2.gz GNAOOZPMRIQIOA-ZDUSSCGKSA-N 2 2 247.342 0.888 20 0 BCADLP Cn1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cn1 ZINC000415061544 386541470 /nfs/dbraw/zinc/54/14/70/386541470.db2.gz YJSHFGVAYYUENA-JTQLQIEISA-N 2 2 210.325 0.883 20 0 BCADLP Cc1cc(CNC(=O)[C@@H](C)[NH3+])cc(C)[nH+]1 ZINC000335461715 386543174 /nfs/dbraw/zinc/54/31/74/386543174.db2.gz MIOGXSNAHOCLOA-SECBINFHSA-N 2 2 207.277 0.662 20 0 BCADLP Cn1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1=O ZINC000647974562 386546228 /nfs/dbraw/zinc/54/62/28/386546228.db2.gz LBRYESQNKRGXAY-STQMWFEESA-N 2 2 247.342 0.569 20 0 BCADLP Cn1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1=O ZINC000647974562 386546232 /nfs/dbraw/zinc/54/62/32/386546232.db2.gz LBRYESQNKRGXAY-STQMWFEESA-N 2 2 247.342 0.569 20 0 BCADLP Cn1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1=O ZINC000647974561 386547222 /nfs/dbraw/zinc/54/72/22/386547222.db2.gz LBRYESQNKRGXAY-QWHCGFSZSA-N 2 2 247.342 0.569 20 0 BCADLP Cn1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1=O ZINC000647974561 386547228 /nfs/dbraw/zinc/54/72/28/386547228.db2.gz LBRYESQNKRGXAY-QWHCGFSZSA-N 2 2 247.342 0.569 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCN1CCOCC1 ZINC000063196023 386551657 /nfs/dbraw/zinc/55/16/57/386551657.db2.gz QLDZJGCITVNLNU-OLZOCXBDSA-N 2 2 241.379 0.520 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCN1CCOCC1 ZINC000063196023 386551664 /nfs/dbraw/zinc/55/16/64/386551664.db2.gz QLDZJGCITVNLNU-OLZOCXBDSA-N 2 2 241.379 0.520 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCCCN1CC[NH+]1CCOCC1 ZINC000063196023 386551668 /nfs/dbraw/zinc/55/16/68/386551668.db2.gz QLDZJGCITVNLNU-OLZOCXBDSA-N 2 2 241.379 0.520 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCN2CCC2)C[N@@H+]1C1CC1 ZINC000336780587 386556291 /nfs/dbraw/zinc/55/62/91/386556291.db2.gz RSUALTQTBYHEHT-NEPJUHHUSA-N 2 2 223.364 0.907 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCN2CCC2)C[N@H+]1C1CC1 ZINC000336780587 386556295 /nfs/dbraw/zinc/55/62/95/386556295.db2.gz RSUALTQTBYHEHT-NEPJUHHUSA-N 2 2 223.364 0.907 20 0 BCADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(N)=O)CC1 ZINC000278627902 386557389 /nfs/dbraw/zinc/55/73/89/386557389.db2.gz NYGRDWTUGSFLCO-UHFFFAOYSA-N 2 2 249.314 0.719 20 0 BCADLP CCN1C[C@H]([NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)CC1=O ZINC000391648019 386557946 /nfs/dbraw/zinc/55/79/46/386557946.db2.gz VQGIZYFIAIPEIA-UTUOFQBUSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@H]([C@H](C)[NH2+][C@@H]1CCC[NH2+]C1)N1CCOCC1 ZINC000415073177 386559780 /nfs/dbraw/zinc/55/97/80/386559780.db2.gz AQIVJARETZMBHJ-YNEHKIRRSA-N 2 2 241.379 0.437 20 0 BCADLP C[C@H]([C@H](C)N[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000415073177 386559782 /nfs/dbraw/zinc/55/97/82/386559782.db2.gz AQIVJARETZMBHJ-YNEHKIRRSA-N 2 2 241.379 0.437 20 0 BCADLP CCN(C)C(=O)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000332062368 386560806 /nfs/dbraw/zinc/56/08/06/386560806.db2.gz ZDPYLCJCZVEWQF-WDEREUQCSA-N 2 2 227.352 0.714 20 0 BCADLP COC(=O)c1cc(C[NH2+][C@H](C[NH3+])C2CC2)c[nH]1 ZINC000414793063 386562917 /nfs/dbraw/zinc/56/29/17/386562917.db2.gz CZJHPPPBLMGBIS-LLVKDONJSA-N 2 2 237.303 0.628 20 0 BCADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)[C@@H]1CCOC1 ZINC000336756451 386564529 /nfs/dbraw/zinc/56/45/29/386564529.db2.gz JKQCCHBYZZFHHK-KXNHARMFSA-N 2 2 212.337 0.951 20 0 BCADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)[C@@H]1CCOC1 ZINC000336756451 386564535 /nfs/dbraw/zinc/56/45/35/386564535.db2.gz JKQCCHBYZZFHHK-KXNHARMFSA-N 2 2 212.337 0.951 20 0 BCADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000414795077 386572910 /nfs/dbraw/zinc/57/29/10/386572910.db2.gz MJSOYGWHIRDTHP-LBPRGKRZSA-N 2 2 235.331 0.858 20 0 BCADLP CC(C)Cn1cc[nH+]c1CN[C@H]1CC[NH2+]C1 ZINC000415111631 386619703 /nfs/dbraw/zinc/61/97/03/386619703.db2.gz RJHXFTKSVDXQAF-NSHDSACASA-N 2 2 222.336 0.991 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000415109789 386621022 /nfs/dbraw/zinc/62/10/22/386621022.db2.gz MJFWXPMKVCHTKL-VXGBXAGGSA-N 2 2 230.352 0.179 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@](O)(CO)C1 ZINC000415109789 386621024 /nfs/dbraw/zinc/62/10/24/386621024.db2.gz MJFWXPMKVCHTKL-VXGBXAGGSA-N 2 2 230.352 0.179 20 0 BCADLP C[N@H+](CC[NH3+])Cc1cccc2c[nH]nc21 ZINC000415101916 386623426 /nfs/dbraw/zinc/62/34/26/386623426.db2.gz DCFYDGBOQASWSO-UHFFFAOYSA-N 2 2 204.277 0.953 20 0 BCADLP C[N@@H+](CC[NH3+])Cc1cccc2c[nH]nc21 ZINC000415101916 386623432 /nfs/dbraw/zinc/62/34/32/386623432.db2.gz DCFYDGBOQASWSO-UHFFFAOYSA-N 2 2 204.277 0.953 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[NH2+]CC(=O)NCC1CC1 ZINC000415102809 386624619 /nfs/dbraw/zinc/62/46/19/386624619.db2.gz JXTIEINOYSLMBD-LLVKDONJSA-N 2 2 227.352 0.476 20 0 BCADLP COC[C@@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000279128976 386638051 /nfs/dbraw/zinc/63/80/51/386638051.db2.gz VUNATFJMORDKAW-VXGBXAGGSA-N 2 2 239.319 0.667 20 0 BCADLP C[NH2+]CCC[N@H+](C)Cc1ccc(C(=O)OC)[nH]1 ZINC000415133627 386639420 /nfs/dbraw/zinc/63/94/20/386639420.db2.gz NJYAGSGBXGIHOW-UHFFFAOYSA-N 2 2 239.319 0.843 20 0 BCADLP C[NH2+]CCC[N@@H+](C)Cc1ccc(C(=O)OC)[nH]1 ZINC000415133627 386639425 /nfs/dbraw/zinc/63/94/25/386639425.db2.gz NJYAGSGBXGIHOW-UHFFFAOYSA-N 2 2 239.319 0.843 20 0 BCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(CO)o1 ZINC000228726689 386605207 /nfs/dbraw/zinc/60/52/07/386605207.db2.gz LCHVWDYOVYSVJX-LBPRGKRZSA-N 2 2 242.319 0.174 20 0 BCADLP C[NH2+]C[C@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000520225715 386608419 /nfs/dbraw/zinc/60/84/19/386608419.db2.gz QMWKFCVHCVFMHE-ZETCQYMHSA-N 2 2 209.249 0.003 20 0 BCADLP Cn1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)nn1 ZINC000328683720 386608893 /nfs/dbraw/zinc/60/88/93/386608893.db2.gz WKQGJPUMCFBJIZ-SNVBAGLBSA-N 2 2 246.318 0.918 20 0 BCADLP Cn1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)nn1 ZINC000328683720 386608898 /nfs/dbraw/zinc/60/88/98/386608898.db2.gz WKQGJPUMCFBJIZ-SNVBAGLBSA-N 2 2 246.318 0.918 20 0 BCADLP Cc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c(=O)n1C ZINC000335494272 386613566 /nfs/dbraw/zinc/61/35/66/386613566.db2.gz YDWOZTLVEISWCA-GWCFXTLKSA-N 2 2 249.358 0.781 20 0 BCADLP CC[C@@H]1C[C@H](C[NH2+]C[C@@H]2C[NH2+]CCO2)CCO1 ZINC000415096200 386614598 /nfs/dbraw/zinc/61/45/98/386614598.db2.gz PHRWHFWBTYLQGN-UPJWGTAASA-N 2 2 242.363 0.770 20 0 BCADLP Cc1cnc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000357079427 386709873 /nfs/dbraw/zinc/70/98/73/386709873.db2.gz SIGNKJMWPBPJGS-RYUDHWBXSA-N 2 2 232.331 0.826 20 0 BCADLP Cc1cnc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000357079427 386709879 /nfs/dbraw/zinc/70/98/79/386709879.db2.gz SIGNKJMWPBPJGS-RYUDHWBXSA-N 2 2 232.331 0.826 20 0 BCADLP C[NH2+]CC[NH2+]CCC(C)(C)C(=O)OC ZINC000414833611 386714203 /nfs/dbraw/zinc/71/42/03/386714203.db2.gz SQQQYCZSYIGREN-UHFFFAOYSA-N 2 2 202.298 0.385 20 0 BCADLP O=C(C[C@H]1CC[NH2+]C1)NCCNc1cccc[nH+]1 ZINC000645331618 386719871 /nfs/dbraw/zinc/71/98/71/386719871.db2.gz NVLGINBSIFGNCH-LLVKDONJSA-N 2 2 248.330 0.609 20 0 BCADLP Cc1ncc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cn1 ZINC000344841633 386758377 /nfs/dbraw/zinc/75/83/77/386758377.db2.gz AINIJAMPOVSBOT-LBPRGKRZSA-N 2 2 238.335 0.187 20 0 BCADLP CSCC[C@H](CO)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336664418 386763914 /nfs/dbraw/zinc/76/39/14/386763914.db2.gz CQXBSXTVDZJVAP-GMTAPVOTSA-N 2 2 232.393 0.640 20 0 BCADLP CSCC[C@H](CO)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336664418 386763922 /nfs/dbraw/zinc/76/39/22/386763922.db2.gz CQXBSXTVDZJVAP-GMTAPVOTSA-N 2 2 232.393 0.640 20 0 BCADLP CC[C@H]([NH3+])C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000269233318 386764800 /nfs/dbraw/zinc/76/48/00/386764800.db2.gz FHXPIVATOLJGKE-NSHDSACASA-N 2 2 246.314 0.996 20 0 BCADLP O=C1NCC[C@H]1[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000269264050 386770423 /nfs/dbraw/zinc/77/04/23/386770423.db2.gz FVJGHJTZOADBOJ-SNVBAGLBSA-N 2 2 234.303 0.478 20 0 BCADLP C[NH+](C)[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000334638615 386776854 /nfs/dbraw/zinc/77/68/54/386776854.db2.gz NESIRVCTEXOSNC-MNOVXSKESA-N 2 2 225.336 0.291 20 0 BCADLP C[NH+](C)[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000334638615 386776859 /nfs/dbraw/zinc/77/68/59/386776859.db2.gz NESIRVCTEXOSNC-MNOVXSKESA-N 2 2 225.336 0.291 20 0 BCADLP C[NH+](C)[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000334638616 386777316 /nfs/dbraw/zinc/77/73/16/386777316.db2.gz NESIRVCTEXOSNC-QWRGUYRKSA-N 2 2 225.336 0.291 20 0 BCADLP C[NH+](C)[C@H]1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000334638616 386777319 /nfs/dbraw/zinc/77/73/19/386777319.db2.gz NESIRVCTEXOSNC-QWRGUYRKSA-N 2 2 225.336 0.291 20 0 BCADLP O=C(CCn1cc[nH+]c1)NCC[N@H+]1CC=CCC1 ZINC000280290301 386801612 /nfs/dbraw/zinc/80/16/12/386801612.db2.gz REFAHROAZNYJPF-UHFFFAOYSA-N 2 2 248.330 0.651 20 0 BCADLP O=C(CCn1cc[nH+]c1)NCC[N@@H+]1CC=CCC1 ZINC000280290301 386801616 /nfs/dbraw/zinc/80/16/16/386801616.db2.gz REFAHROAZNYJPF-UHFFFAOYSA-N 2 2 248.330 0.651 20 0 BCADLP COc1cc(C[NH2+][C@H](C)C[NH3+])cc2c1OCO2 ZINC000414934495 386803889 /nfs/dbraw/zinc/80/38/89/386803889.db2.gz UVEGOLUYWKANQZ-MRVPVSSYSA-N 2 2 238.287 0.861 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000417388911 386835848 /nfs/dbraw/zinc/83/58/48/386835848.db2.gz OZXARYSCZBPPND-MXWKQRLJSA-N 2 2 247.333 0.866 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000417388911 386835854 /nfs/dbraw/zinc/83/58/54/386835854.db2.gz OZXARYSCZBPPND-MXWKQRLJSA-N 2 2 247.333 0.866 20 0 BCADLP CCN(C)C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000357734076 386836336 /nfs/dbraw/zinc/83/63/36/386836336.db2.gz RAJDNCRVYUIPIW-VXGBXAGGSA-N 2 2 241.379 0.879 20 0 BCADLP CCN(C)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000357734076 386836338 /nfs/dbraw/zinc/83/63/38/386836338.db2.gz RAJDNCRVYUIPIW-VXGBXAGGSA-N 2 2 241.379 0.879 20 0 BCADLP CCN(C)C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000357734076 386836342 /nfs/dbraw/zinc/83/63/42/386836342.db2.gz RAJDNCRVYUIPIW-VXGBXAGGSA-N 2 2 241.379 0.879 20 0 BCADLP CCN(C)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000357734076 386836348 /nfs/dbraw/zinc/83/63/48/386836348.db2.gz RAJDNCRVYUIPIW-VXGBXAGGSA-N 2 2 241.379 0.879 20 0 BCADLP CCN(C)C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000357734073 386837562 /nfs/dbraw/zinc/83/75/62/386837562.db2.gz RAJDNCRVYUIPIW-NEPJUHHUSA-N 2 2 241.379 0.879 20 0 BCADLP CCN(C)C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000357734073 386837565 /nfs/dbraw/zinc/83/75/65/386837565.db2.gz RAJDNCRVYUIPIW-NEPJUHHUSA-N 2 2 241.379 0.879 20 0 BCADLP CCN(C)C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000357734073 386837572 /nfs/dbraw/zinc/83/75/72/386837572.db2.gz RAJDNCRVYUIPIW-NEPJUHHUSA-N 2 2 241.379 0.879 20 0 BCADLP CCN(C)C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000357734073 386837578 /nfs/dbraw/zinc/83/75/78/386837578.db2.gz RAJDNCRVYUIPIW-NEPJUHHUSA-N 2 2 241.379 0.879 20 0 BCADLP Cc1nocc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000293395631 386837683 /nfs/dbraw/zinc/83/76/83/386837683.db2.gz XLWQEIUYZKNZTE-LLVKDONJSA-N 2 2 227.308 0.385 20 0 BCADLP CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000425339975 386840068 /nfs/dbraw/zinc/84/00/68/386840068.db2.gz DHBVEUNMRYBHPG-QJPTWQEYSA-N 2 2 243.420 0.716 20 0 BCADLP CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000425339975 386840077 /nfs/dbraw/zinc/84/00/77/386840077.db2.gz DHBVEUNMRYBHPG-QJPTWQEYSA-N 2 2 243.420 0.716 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414938786 386858585 /nfs/dbraw/zinc/85/85/85/386858585.db2.gz FIJJRDZQPUQFQB-SRVKXCTJSA-N 3 2 211.353 0.716 20 0 BCADLP CCN(C)c1ccc(C[NH2+][C@@H](C)C[NH3+])cn1 ZINC000414939596 386861649 /nfs/dbraw/zinc/86/16/49/386861649.db2.gz GPNAXWHDPFEUOR-JTQLQIEISA-N 2 2 222.336 0.975 20 0 BCADLP c1cn(C2CC[NH+](CCn3cncn3)CC2)c[nH+]1 ZINC000331697763 386883484 /nfs/dbraw/zinc/88/34/84/386883484.db2.gz ZKBDDIBKSDDDBC-UHFFFAOYSA-N 2 2 246.318 0.812 20 0 BCADLP c1cn(CC[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)c[nH+]1 ZINC000331738915 386888267 /nfs/dbraw/zinc/88/82/67/386888267.db2.gz DMEIXSGHCDRFHW-NSHDSACASA-N 2 2 246.318 0.881 20 0 BCADLP c1cn(CC[N@H+]2CCC[C@H](c3nnc[nH]3)C2)c[nH+]1 ZINC000331738915 386888273 /nfs/dbraw/zinc/88/82/73/386888273.db2.gz DMEIXSGHCDRFHW-NSHDSACASA-N 2 2 246.318 0.881 20 0 BCADLP COc1ccc(C[N@H+](CC[NH3+])CCO)cc1 ZINC000414942589 386890918 /nfs/dbraw/zinc/89/09/18/386890918.db2.gz ZWEXANLOXDXJMT-UHFFFAOYSA-N 2 2 224.304 0.448 20 0 BCADLP COc1ccc(C[N@@H+](CC[NH3+])CCO)cc1 ZINC000414942589 386890924 /nfs/dbraw/zinc/89/09/24/386890924.db2.gz ZWEXANLOXDXJMT-UHFFFAOYSA-N 2 2 224.304 0.448 20 0 BCADLP Cc1noc(C)c1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358160245 386902892 /nfs/dbraw/zinc/90/28/92/386902892.db2.gz KDIPPEVYCTUIDO-LBPRGKRZSA-N 2 2 239.319 0.448 20 0 BCADLP Cc1noc(C)c1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358160245 386902894 /nfs/dbraw/zinc/90/28/94/386902894.db2.gz KDIPPEVYCTUIDO-LBPRGKRZSA-N 2 2 239.319 0.448 20 0 BCADLP Cc1n[nH]cc1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000334866087 386924548 /nfs/dbraw/zinc/92/45/48/386924548.db2.gz WNUFTOJPYAWOEX-KWQFWETISA-N 2 2 208.309 0.806 20 0 BCADLP C[NH+](C)CCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000330949626 386927985 /nfs/dbraw/zinc/92/79/85/386927985.db2.gz JBOVHNRQSZRPGP-UHFFFAOYSA-N 2 2 224.308 0.365 20 0 BCADLP O=C(CC[N@@H+]1CCC[NH2+]CC1)Nc1cccnc1 ZINC000358328672 386935405 /nfs/dbraw/zinc/93/54/05/386935405.db2.gz XYPKPRYMTJOVRT-UHFFFAOYSA-N 2 2 248.330 0.706 20 0 BCADLP O=C(CC[N@H+]1CCC[NH2+]CC1)Nc1cccnc1 ZINC000358328672 386935406 /nfs/dbraw/zinc/93/54/06/386935406.db2.gz XYPKPRYMTJOVRT-UHFFFAOYSA-N 2 2 248.330 0.706 20 0 BCADLP Cn1cc[nH+]c1[C@H](NC(=O)C[NH+](C)C)C1CC1 ZINC000341714796 386954004 /nfs/dbraw/zinc/95/40/04/386954004.db2.gz FETQEDJVRGVMSC-LLVKDONJSA-N 2 2 236.319 0.549 20 0 BCADLP Cc1cc(NC(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc[nH+]1 ZINC000334823564 386954406 /nfs/dbraw/zinc/95/44/06/386954406.db2.gz JAESGNXNPLBEDH-MWLCHTKSSA-N 2 2 234.303 0.765 20 0 BCADLP Cc1cc(NC(=O)N[C@H]2CC[NH2+]C2)cc[nH+]1 ZINC000334826108 386958279 /nfs/dbraw/zinc/95/82/79/386958279.db2.gz SJJRFFHEVNJERS-JTQLQIEISA-N 2 2 220.276 0.295 20 0 BCADLP CC(C)[C@H](O)C[N@@H+]1CCCC[C@@H]1C(=[NH2+])NO ZINC000368390945 386968381 /nfs/dbraw/zinc/96/83/81/386968381.db2.gz CGIYDQWGWDHWFW-NXEZZACHSA-N 2 2 229.324 0.814 20 0 BCADLP CC(C)[C@H](O)C[N@H+]1CCCC[C@@H]1C(=[NH2+])NO ZINC000368390945 386968384 /nfs/dbraw/zinc/96/83/84/386968384.db2.gz CGIYDQWGWDHWFW-NXEZZACHSA-N 2 2 229.324 0.814 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC1(C)C ZINC000518996019 386977531 /nfs/dbraw/zinc/97/75/31/386977531.db2.gz QZOQQWPKPQVTIX-NSHDSACASA-N 2 2 230.352 0.410 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC1(C)C ZINC000518996019 386977535 /nfs/dbraw/zinc/97/75/35/386977535.db2.gz QZOQQWPKPQVTIX-NSHDSACASA-N 2 2 230.352 0.410 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC1(C)C ZINC000518996019 386977537 /nfs/dbraw/zinc/97/75/37/386977537.db2.gz QZOQQWPKPQVTIX-NSHDSACASA-N 2 2 230.352 0.410 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC1(C)C ZINC000518996019 386977542 /nfs/dbraw/zinc/97/75/42/386977542.db2.gz QZOQQWPKPQVTIX-NSHDSACASA-N 2 2 230.352 0.410 20 0 BCADLP C[NH+](C)CCCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368649545 387000091 /nfs/dbraw/zinc/00/00/91/387000091.db2.gz GJUSUDKBGJPUIJ-QMMMGPOBSA-N 2 2 235.278 0.052 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107574625 387032227 /nfs/dbraw/zinc/03/22/27/387032227.db2.gz KEHTUEKKCACYHL-SDDRHHMPSA-N 2 2 239.363 0.298 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107574625 387032230 /nfs/dbraw/zinc/03/22/30/387032230.db2.gz KEHTUEKKCACYHL-SDDRHHMPSA-N 2 2 239.363 0.298 20 0 BCADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107579451 387033429 /nfs/dbraw/zinc/03/34/29/387033429.db2.gz PANXLQFFOFELOF-GARJFASQSA-N 2 2 239.363 0.441 20 0 BCADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107579451 387033431 /nfs/dbraw/zinc/03/34/31/387033431.db2.gz PANXLQFFOFELOF-GARJFASQSA-N 2 2 239.363 0.441 20 0 BCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107576278 387033697 /nfs/dbraw/zinc/03/36/97/387033697.db2.gz FOJZHXUJRFCZIO-SDDRHHMPSA-N 2 2 239.363 0.298 20 0 BCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107576278 387033700 /nfs/dbraw/zinc/03/37/00/387033700.db2.gz FOJZHXUJRFCZIO-SDDRHHMPSA-N 2 2 239.363 0.298 20 0 BCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000333655395 387047785 /nfs/dbraw/zinc/04/77/85/387047785.db2.gz ZTZATDLESWRWMW-QJPTWQEYSA-N 3 2 211.353 0.988 20 0 BCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000333655394 387047959 /nfs/dbraw/zinc/04/79/59/387047959.db2.gz ZTZATDLESWRWMW-IJLUTSLNSA-N 3 2 211.353 0.988 20 0 BCADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)NC1CC1 ZINC000333721845 387052544 /nfs/dbraw/zinc/05/25/44/387052544.db2.gz UUAOBRIYVLRQDY-MWGHHZFTSA-N 2 2 239.363 0.630 20 0 BCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)NC1CC1 ZINC000333754542 387053894 /nfs/dbraw/zinc/05/38/94/387053894.db2.gz ZMZREUBEGLDKLX-PTRXPTGYSA-N 2 2 225.336 0.241 20 0 BCADLP CCn1c[nH+]cc1C[NH+]1C[C@H](OC)[C@@H](OC)C1 ZINC000418034094 387054882 /nfs/dbraw/zinc/05/48/82/387054882.db2.gz OCXGVCDMKCTHLX-RYUDHWBXSA-N 2 2 239.319 0.749 20 0 BCADLP CC(C)(O)C[N@@H+]1CC[NH2+]C[C@@](C)(F)C1 ZINC000334974940 387060484 /nfs/dbraw/zinc/06/04/84/387060484.db2.gz VOZSONYQRWHHAL-SNVBAGLBSA-N 2 2 204.289 0.391 20 0 BCADLP CC(C)(O)C[N@H+]1CC[NH2+]C[C@@](C)(F)C1 ZINC000334974940 387060486 /nfs/dbraw/zinc/06/04/86/387060486.db2.gz VOZSONYQRWHHAL-SNVBAGLBSA-N 2 2 204.289 0.391 20 0 BCADLP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)c2ccccc21 ZINC000333854422 387062367 /nfs/dbraw/zinc/06/23/67/387062367.db2.gz QOUKPKPKKGJBLQ-RWMBFGLXSA-N 2 2 245.326 0.999 20 0 BCADLP Cc1ccc(O)c(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)n1 ZINC000333089095 387016294 /nfs/dbraw/zinc/01/62/94/387016294.db2.gz CDBBOFTVFNJQRR-GDGBQDQQSA-N 2 2 219.288 0.403 20 0 BCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccnn1C ZINC000331349967 387018685 /nfs/dbraw/zinc/01/86/85/387018685.db2.gz VFDRRUIYSRCXSC-CMPLNLGQSA-N 2 2 238.335 0.137 20 0 BCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccnn1C ZINC000331349967 387018689 /nfs/dbraw/zinc/01/86/89/387018689.db2.gz VFDRRUIYSRCXSC-CMPLNLGQSA-N 2 2 238.335 0.137 20 0 BCADLP CN(C)c1ncc(C[NH2+][C@@H]2CCCC[NH2+]C2)cn1 ZINC000333134298 387018704 /nfs/dbraw/zinc/01/87/04/387018704.db2.gz KBYVMJGSOCTQGM-GFCCVEGCSA-N 2 2 249.362 0.774 20 0 BCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccnn1C ZINC000331349970 387018797 /nfs/dbraw/zinc/01/87/97/387018797.db2.gz VFDRRUIYSRCXSC-ZYHUDNBSSA-N 2 2 238.335 0.137 20 0 BCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccnn1C ZINC000331349970 387018800 /nfs/dbraw/zinc/01/88/00/387018800.db2.gz VFDRRUIYSRCXSC-ZYHUDNBSSA-N 2 2 238.335 0.137 20 0 BCADLP Cc1cc(NC(=O)N[C@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000333179680 387021611 /nfs/dbraw/zinc/02/16/11/387021611.db2.gz PLIUFFCTQLYTNN-NSHDSACASA-N 2 2 234.303 0.685 20 0 BCADLP Cn1nnnc1C[N@H+](C)CCC1CC[NH2+]CC1 ZINC000359222600 387070302 /nfs/dbraw/zinc/07/03/02/387070302.db2.gz YIHCESWYARAAQD-UHFFFAOYSA-N 2 2 238.339 0.032 20 0 BCADLP Cn1nnnc1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000359222600 387070307 /nfs/dbraw/zinc/07/03/07/387070307.db2.gz YIHCESWYARAAQD-UHFFFAOYSA-N 2 2 238.339 0.032 20 0 BCADLP O[C@@H]1CC[C@H]2C[N@H+](CCn3cc[nH+]c3)C[C@@H]12 ZINC000228101290 387077252 /nfs/dbraw/zinc/07/72/52/387077252.db2.gz AJVJCGCVTHIMMM-QJPTWQEYSA-N 2 2 221.304 0.586 20 0 BCADLP O[C@@H]1CC[C@H]2C[N@@H+](CCn3cc[nH+]c3)C[C@@H]12 ZINC000228101290 387077256 /nfs/dbraw/zinc/07/72/56/387077256.db2.gz AJVJCGCVTHIMMM-QJPTWQEYSA-N 2 2 221.304 0.586 20 0 BCADLP CNC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246352994 387077779 /nfs/dbraw/zinc/07/77/79/387077779.db2.gz WHZKAESKBMCJBS-WDEREUQCSA-N 2 2 236.319 0.512 20 0 BCADLP CNC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246352994 387077782 /nfs/dbraw/zinc/07/77/82/387077782.db2.gz WHZKAESKBMCJBS-WDEREUQCSA-N 2 2 236.319 0.512 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCC2CC2)C1 ZINC000111695683 387085725 /nfs/dbraw/zinc/08/57/25/387085725.db2.gz CVHYDVRJHQMMIE-CMPLNLGQSA-N 2 2 239.363 0.572 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000111695683 387085730 /nfs/dbraw/zinc/08/57/30/387085730.db2.gz CVHYDVRJHQMMIE-CMPLNLGQSA-N 2 2 239.363 0.572 20 0 BCADLP COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000359600544 387131668 /nfs/dbraw/zinc/13/16/68/387131668.db2.gz REGKEFLRHCYNAI-PWSUYJOCSA-N 2 2 240.347 0.822 20 0 BCADLP COC(=O)[C@H](C1CC1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000359600544 387131677 /nfs/dbraw/zinc/13/16/77/387131677.db2.gz REGKEFLRHCYNAI-PWSUYJOCSA-N 2 2 240.347 0.822 20 0 BCADLP CN(C)c1ncc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000359472036 387107757 /nfs/dbraw/zinc/10/77/57/387107757.db2.gz JRJRXYCWXSUGRS-RYUDHWBXSA-N 2 2 247.346 0.194 20 0 BCADLP CN(C)c1nccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000359472055 387107904 /nfs/dbraw/zinc/10/79/04/387107904.db2.gz JYMKBNKMKCIGRU-GHMZBOCLSA-N 2 2 247.346 0.194 20 0 BCADLP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)C(N)=O ZINC000336766496 387108961 /nfs/dbraw/zinc/10/89/61/387108961.db2.gz RPAXLYPNUOMLPO-SNVBAGLBSA-N 2 2 213.325 0.324 20 0 BCADLP CN(C)c1ncc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000359472038 387109027 /nfs/dbraw/zinc/10/90/27/387109027.db2.gz JRJRXYCWXSUGRS-VXGBXAGGSA-N 2 2 247.346 0.194 20 0 BCADLP C[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000250352439 387113736 /nfs/dbraw/zinc/11/37/36/387113736.db2.gz AWJZSWZWQACVSW-MNOVXSKESA-N 2 2 246.376 0.105 20 0 BCADLP C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000250352439 387113740 /nfs/dbraw/zinc/11/37/40/387113740.db2.gz AWJZSWZWQACVSW-MNOVXSKESA-N 2 2 246.376 0.105 20 0 BCADLP COC[C@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000127400229 387116398 /nfs/dbraw/zinc/11/63/98/387116398.db2.gz KDSOYQJAZPQRPB-GFCCVEGCSA-N 2 2 239.319 0.527 20 0 BCADLP COC(=O)[C@@H](C1CC1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000359600546 387132030 /nfs/dbraw/zinc/13/20/30/387132030.db2.gz REGKEFLRHCYNAI-ZYHUDNBSSA-N 2 2 240.347 0.822 20 0 BCADLP COC(=O)[C@@H](C1CC1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000359600546 387132036 /nfs/dbraw/zinc/13/20/36/387132036.db2.gz REGKEFLRHCYNAI-ZYHUDNBSSA-N 2 2 240.347 0.822 20 0 BCADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCN(CCOC)C1 ZINC000423299717 387128701 /nfs/dbraw/zinc/12/87/01/387128701.db2.gz QMXXUDPJXFZRCC-QWHCGFSZSA-N 2 2 243.395 0.814 20 0 BCADLP CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000516695767 387146004 /nfs/dbraw/zinc/14/60/04/387146004.db2.gz QPDNPZUYZBIPTB-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000516695767 387146007 /nfs/dbraw/zinc/14/60/07/387146007.db2.gz QPDNPZUYZBIPTB-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP CCC[NH2+]CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423312654 387152372 /nfs/dbraw/zinc/15/23/72/387152372.db2.gz SITSTACOWOVAAB-VXGBXAGGSA-N 3 2 213.369 0.964 20 0 BCADLP COCC[NH2+]CC[NH2+][C@@H](C)[C@@H](C)OC ZINC000423316581 387156363 /nfs/dbraw/zinc/15/63/63/387156363.db2.gz ADIANQBJDIFTBY-VHSXEESVSA-N 2 2 204.314 0.235 20 0 BCADLP COCC[C@@](C)(O)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000571821098 387178319 /nfs/dbraw/zinc/17/83/19/387178319.db2.gz JUJOEEISTLWZSD-GFCCVEGCSA-N 2 2 241.335 0.606 20 0 BCADLP C[C@@H](C1CC1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000120523335 387187626 /nfs/dbraw/zinc/18/76/26/387187626.db2.gz RDRMMYPWCLFYAC-NSHDSACASA-N 2 2 239.363 0.491 20 0 BCADLP C[C@@H](C1CC1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000120523335 387187630 /nfs/dbraw/zinc/18/76/30/387187630.db2.gz RDRMMYPWCLFYAC-NSHDSACASA-N 2 2 239.363 0.491 20 0 BCADLP O=C(C1C[NH2+]C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000336357760 387187977 /nfs/dbraw/zinc/18/79/77/387187977.db2.gz GKEUEWXJKKSYPD-UHFFFAOYSA-N 2 2 234.303 0.335 20 0 BCADLP O=C(C1C[NH2+]C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000336357760 387187982 /nfs/dbraw/zinc/18/79/82/387187982.db2.gz GKEUEWXJKKSYPD-UHFFFAOYSA-N 2 2 234.303 0.335 20 0 BCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000353442353 387202597 /nfs/dbraw/zinc/20/25/97/387202597.db2.gz BVQGSPIQXPMOLD-NXEZZACHSA-N 2 2 236.319 0.457 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCOC(C)(C)[C@@H]1C ZINC000571937233 387203737 /nfs/dbraw/zinc/20/37/37/387203737.db2.gz PSILQMWVRJBXCE-NWDGAFQWSA-N 2 2 244.379 0.798 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCOC(C)(C)[C@@H]1C ZINC000571937233 387203742 /nfs/dbraw/zinc/20/37/42/387203742.db2.gz PSILQMWVRJBXCE-NWDGAFQWSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000571937233 387203748 /nfs/dbraw/zinc/20/37/48/387203748.db2.gz PSILQMWVRJBXCE-NWDGAFQWSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000571937233 387203755 /nfs/dbraw/zinc/20/37/55/387203755.db2.gz PSILQMWVRJBXCE-NWDGAFQWSA-N 2 2 244.379 0.798 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423358524 387211190 /nfs/dbraw/zinc/21/11/90/387211190.db2.gz NTZPMJAXAXVQGK-IJLUTSLNSA-N 3 2 211.353 0.716 20 0 BCADLP CC(C)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000571992282 387216984 /nfs/dbraw/zinc/21/69/84/387216984.db2.gz CUEQYHWXBBGIGU-NWDGAFQWSA-N 2 2 212.337 0.999 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423367884 387221003 /nfs/dbraw/zinc/22/10/03/387221003.db2.gz ROMDDMUGDPKCAU-LMLFDSFASA-N 2 2 200.326 0.997 20 0 BCADLP C[C@H]([NH3+])C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000336406211 387236308 /nfs/dbraw/zinc/23/63/08/387236308.db2.gz IZHOACOOYWENFJ-VIFPVBQESA-N 3 2 208.309 0.936 20 0 BCADLP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CCC[NH2+]C1 ZINC000423346146 387194910 /nfs/dbraw/zinc/19/49/10/387194910.db2.gz PSOLDYSKEYLOOT-TUAOUCFPSA-N 3 2 211.353 0.846 20 0 BCADLP COCC[NH2+]CC[NH2+][C@H](COC)C(C)C ZINC000423346001 387195989 /nfs/dbraw/zinc/19/59/89/387195989.db2.gz YFFSZSHWCJIEOR-LLVKDONJSA-N 2 2 218.341 0.483 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000423348624 387199638 /nfs/dbraw/zinc/19/96/38/387199638.db2.gz UOOWMPGTBVPLLV-DGCLKSJQSA-N 2 2 223.364 0.836 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000423348624 387199643 /nfs/dbraw/zinc/19/96/43/387199643.db2.gz UOOWMPGTBVPLLV-DGCLKSJQSA-N 3 2 223.364 0.836 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423348329 387200175 /nfs/dbraw/zinc/20/01/75/387200175.db2.gz SZHDHBOLPHXHHA-JHJVBQTASA-N 3 2 225.380 0.964 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423348328 387201272 /nfs/dbraw/zinc/20/12/72/387201272.db2.gz SZHDHBOLPHXHHA-FRRDWIJNSA-N 3 2 225.380 0.964 20 0 BCADLP C[C@@H]([NH2+]CC(=O)NCC1CC1)[C@H]1CCCC[NH2+]1 ZINC000393062195 387315229 /nfs/dbraw/zinc/31/52/29/387315229.db2.gz QCGMTWPOLBSJJK-ZYHUDNBSSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccco1 ZINC000423466975 387315552 /nfs/dbraw/zinc/31/55/52/387315552.db2.gz ABHQNGKCAPTIDQ-WDEREUQCSA-N 2 2 223.320 0.834 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000423374845 387255449 /nfs/dbraw/zinc/25/54/49/387255449.db2.gz TZJPVGXUNAJLLP-WYUUTHIRSA-N 3 2 211.353 0.844 20 0 BCADLP Cn1nnnc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000371880748 387255643 /nfs/dbraw/zinc/25/56/43/387255643.db2.gz ZZMGVQLJUCQVND-VIFPVBQESA-N 2 2 247.306 0.313 20 0 BCADLP Cn1nnnc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000371880748 387255646 /nfs/dbraw/zinc/25/56/46/387255646.db2.gz ZZMGVQLJUCQVND-VIFPVBQESA-N 2 2 247.306 0.313 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+]CC[NH+]1CCCC1 ZINC000230318837 387261194 /nfs/dbraw/zinc/26/11/94/387261194.db2.gz KROSFABDGGBRPJ-GFCCVEGCSA-N 2 2 222.336 0.957 20 0 BCADLP COC[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000231632727 387278629 /nfs/dbraw/zinc/27/86/29/387278629.db2.gz SMGCIBDGQJKOLF-NQBHXWOUSA-N 2 2 242.363 0.599 20 0 BCADLP COC[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000231632727 387278634 /nfs/dbraw/zinc/27/86/34/387278634.db2.gz SMGCIBDGQJKOLF-NQBHXWOUSA-N 2 2 242.363 0.599 20 0 BCADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423393901 387279052 /nfs/dbraw/zinc/27/90/52/387279052.db2.gz ROLDASGNJPYMMW-IJLUTSLNSA-N 3 2 213.369 0.962 20 0 BCADLP COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000302361514 387281619 /nfs/dbraw/zinc/28/16/19/387281619.db2.gz GRZRNFAEHWNQMP-VXGBXAGGSA-N 2 2 243.395 0.635 20 0 BCADLP COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000302361514 387281627 /nfs/dbraw/zinc/28/16/27/387281627.db2.gz GRZRNFAEHWNQMP-VXGBXAGGSA-N 2 2 243.395 0.635 20 0 BCADLP CC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000514789450 387288239 /nfs/dbraw/zinc/28/82/39/387288239.db2.gz AZFDWICZIJANBT-RYUDHWBXSA-N 2 2 230.352 0.194 20 0 BCADLP CC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000514789450 387288246 /nfs/dbraw/zinc/28/82/46/387288246.db2.gz AZFDWICZIJANBT-RYUDHWBXSA-N 2 2 230.352 0.194 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000514795520 387292334 /nfs/dbraw/zinc/29/23/34/387292334.db2.gz VIZMHCACOZEQJV-XQQFMLRXSA-N 2 2 244.379 0.798 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000514795520 387292338 /nfs/dbraw/zinc/29/23/38/387292338.db2.gz VIZMHCACOZEQJV-XQQFMLRXSA-N 2 2 244.379 0.798 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000514795520 387292343 /nfs/dbraw/zinc/29/23/43/387292343.db2.gz VIZMHCACOZEQJV-XQQFMLRXSA-N 2 2 244.379 0.798 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000514795520 387292346 /nfs/dbraw/zinc/29/23/46/387292346.db2.gz VIZMHCACOZEQJV-XQQFMLRXSA-N 2 2 244.379 0.798 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000423443684 387293643 /nfs/dbraw/zinc/29/36/43/387293643.db2.gz XFUFBOFPLGYHOD-GXFFZTMASA-N 2 2 247.342 0.727 20 0 BCADLP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000514857425 387297697 /nfs/dbraw/zinc/29/76/97/387297697.db2.gz PDLAWBWBHCLHGA-APPZFPTMSA-N 2 2 242.348 0.115 20 0 BCADLP CCn1nnc(C)c1C[NH2+]C1CC([NH+](C)C)C1 ZINC000514873666 387302566 /nfs/dbraw/zinc/30/25/66/387302566.db2.gz VJCNOPXBBZDFGA-UHFFFAOYSA-N 2 2 237.351 0.789 20 0 BCADLP CS[C@@H](C)CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000515302187 387361647 /nfs/dbraw/zinc/36/16/47/387361647.db2.gz LRTJDKOURNKXIT-VHSXEESVSA-N 2 2 245.392 0.229 20 0 BCADLP CS[C@@H](C)CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000515302187 387361650 /nfs/dbraw/zinc/36/16/50/387361650.db2.gz LRTJDKOURNKXIT-VHSXEESVSA-N 2 2 245.392 0.229 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502432 387365229 /nfs/dbraw/zinc/36/52/29/387365229.db2.gz GBXAAVOYKAAIAV-TUAOUCFPSA-N 3 2 211.353 0.846 20 0 BCADLP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCCNC1=O ZINC000336553891 387375747 /nfs/dbraw/zinc/37/57/47/387375747.db2.gz YPMSBXYVLWFQOE-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCCNC1=O ZINC000336553891 387375751 /nfs/dbraw/zinc/37/57/51/387375751.db2.gz YPMSBXYVLWFQOE-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCNC1=O ZINC000336553891 387375757 /nfs/dbraw/zinc/37/57/57/387375757.db2.gz YPMSBXYVLWFQOE-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCNC1=O ZINC000336553891 387375760 /nfs/dbraw/zinc/37/57/60/387375760.db2.gz YPMSBXYVLWFQOE-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)[C@H]1CC1(C)C ZINC000423565349 387377438 /nfs/dbraw/zinc/37/74/38/387377438.db2.gz LRXRAEYOGIRVDR-GARJFASQSA-N 2 2 212.337 0.999 20 0 BCADLP C[C@@H](Cc1ccoc1)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423577448 387379664 /nfs/dbraw/zinc/37/96/64/387379664.db2.gz SHYZKMCAVUOBIB-CMPLNLGQSA-N 2 2 224.304 0.789 20 0 BCADLP C[C@@H]([NH3+])CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000354067436 387324210 /nfs/dbraw/zinc/32/42/10/387324210.db2.gz AWTRCDQUGCXNOV-SNVBAGLBSA-N 2 2 224.308 0.469 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423430660 387326267 /nfs/dbraw/zinc/32/62/67/387326267.db2.gz IDVGWGDLUBRWJX-CABNGKKXSA-N 3 2 237.391 0.914 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423430660 387326273 /nfs/dbraw/zinc/32/62/73/387326273.db2.gz IDVGWGDLUBRWJX-CABNGKKXSA-N 3 2 237.391 0.914 20 0 BCADLP O=C1C[C@]2(CN1)CCC[N@H+](CCn1cc[nH+]c1)C2 ZINC000336513400 387337387 /nfs/dbraw/zinc/33/73/87/387337387.db2.gz QEUWRTCIQAWRBY-ZDUSSCGKSA-N 2 2 248.330 0.485 20 0 BCADLP O=C1C[C@]2(CN1)CCC[N@@H+](CCn1cc[nH+]c1)C2 ZINC000336513400 387337391 /nfs/dbraw/zinc/33/73/91/387337391.db2.gz QEUWRTCIQAWRBY-ZDUSSCGKSA-N 2 2 248.330 0.485 20 0 BCADLP C[C@@H]1CN(C)C[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000309801159 387339069 /nfs/dbraw/zinc/33/90/69/387339069.db2.gz RFQLRGJTVSJTLW-ZYHUDNBSSA-N 2 2 222.336 0.502 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000309801159 387339075 /nfs/dbraw/zinc/33/90/75/387339075.db2.gz RFQLRGJTVSJTLW-ZYHUDNBSSA-N 3 2 222.336 0.502 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000309801159 387339080 /nfs/dbraw/zinc/33/90/80/387339080.db2.gz RFQLRGJTVSJTLW-ZYHUDNBSSA-N 3 2 222.336 0.502 20 0 BCADLP C[C@H]1CN(C)C[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000309801154 387339831 /nfs/dbraw/zinc/33/98/31/387339831.db2.gz RFQLRGJTVSJTLW-CMPLNLGQSA-N 2 2 222.336 0.502 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000309801154 387339835 /nfs/dbraw/zinc/33/98/35/387339835.db2.gz RFQLRGJTVSJTLW-CMPLNLGQSA-N 3 2 222.336 0.502 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000309801154 387339839 /nfs/dbraw/zinc/33/98/39/387339839.db2.gz RFQLRGJTVSJTLW-CMPLNLGQSA-N 3 2 222.336 0.502 20 0 BCADLP Cc1ccnc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)c1 ZINC000423512719 387347843 /nfs/dbraw/zinc/34/78/43/387347843.db2.gz KYLRXWADRHVNGS-STQMWFEESA-N 2 2 248.374 0.944 20 0 BCADLP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360820010 387353345 /nfs/dbraw/zinc/35/33/45/387353345.db2.gz UHHYTGNPCZOMAK-SFYZADRCSA-N 2 2 235.278 0.083 20 0 BCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH+](C)C ZINC000515864481 387430701 /nfs/dbraw/zinc/43/07/01/387430701.db2.gz DVVIYIZCSXRUSV-SECBINFHSA-N 2 2 224.308 0.266 20 0 BCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH+](C)C ZINC000515864481 387430707 /nfs/dbraw/zinc/43/07/07/387430707.db2.gz DVVIYIZCSXRUSV-SECBINFHSA-N 2 2 224.308 0.266 20 0 BCADLP CN(CCCn1cc[nH+]c1)C(=O)C1(C)C[NH2+]C1 ZINC000423827977 387432391 /nfs/dbraw/zinc/43/23/91/387432391.db2.gz PDTKRPBQJKOLMP-UHFFFAOYSA-N 2 2 236.319 0.341 20 0 BCADLP C[N@@H+]1CCCC12CC[NH+]([C@@H]1COC[C@@H]1O)CC2 ZINC000361348057 387443631 /nfs/dbraw/zinc/44/36/31/387443631.db2.gz GVLQZIXZXNOZJR-NEPJUHHUSA-N 2 2 240.347 0.306 20 0 BCADLP C[N@H+]1CCCC12CC[NH+]([C@@H]1COC[C@@H]1O)CC2 ZINC000361348057 387443637 /nfs/dbraw/zinc/44/36/37/387443637.db2.gz GVLQZIXZXNOZJR-NEPJUHHUSA-N 2 2 240.347 0.306 20 0 BCADLP C[NH+](C)CC(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374371946 387448151 /nfs/dbraw/zinc/44/81/51/387448151.db2.gz BNURHNNHURFXPP-LBPRGKRZSA-N 2 2 248.330 0.116 20 0 BCADLP CCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000354983044 387459360 /nfs/dbraw/zinc/45/93/60/387459360.db2.gz NTMAAPMTODNGDE-ZDEQEGDKSA-N 2 2 242.363 0.720 20 0 BCADLP CCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000354983044 387459365 /nfs/dbraw/zinc/45/93/65/387459365.db2.gz NTMAAPMTODNGDE-ZDEQEGDKSA-N 2 2 242.363 0.720 20 0 BCADLP C[NH+](C)CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121787731 387405978 /nfs/dbraw/zinc/40/59/78/387405978.db2.gz HVLAVPZUKKYUIE-GFCCVEGCSA-N 2 2 249.314 0.623 20 0 BCADLP C[NH+](C)CC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121787551 387406217 /nfs/dbraw/zinc/40/62/17/387406217.db2.gz HVLAVPZUKKYUIE-LBPRGKRZSA-N 2 2 249.314 0.623 20 0 BCADLP C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)[C@@H]1CCC[NH2+]1 ZINC000643474908 387497026 /nfs/dbraw/zinc/49/70/26/387497026.db2.gz MDAMZZNTSZATSU-ZDEQEGDKSA-N 2 2 241.379 0.436 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1COC(C)(C)C1 ZINC000396864585 387508218 /nfs/dbraw/zinc/50/82/18/387508218.db2.gz SYKWFFLZSDBPJH-VXGBXAGGSA-N 2 2 241.379 0.389 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1COC(C)(C)C1 ZINC000396864585 387508222 /nfs/dbraw/zinc/50/82/22/387508222.db2.gz SYKWFFLZSDBPJH-VXGBXAGGSA-N 2 2 241.379 0.389 20 0 BCADLP C[N@H+](CCCF)C1CC[NH+](CCO)CC1 ZINC000361618918 387509640 /nfs/dbraw/zinc/50/96/40/387509640.db2.gz LCPSGBCBHMWWSC-UHFFFAOYSA-N 2 2 218.316 0.735 20 0 BCADLP C[N@@H+](CCCF)C1CC[NH+](CCO)CC1 ZINC000361618918 387509646 /nfs/dbraw/zinc/50/96/46/387509646.db2.gz LCPSGBCBHMWWSC-UHFFFAOYSA-N 2 2 218.316 0.735 20 0 BCADLP COC(C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21)OC ZINC000375251121 387518590 /nfs/dbraw/zinc/51/85/90/387518590.db2.gz YTISVMZUZQHFBW-GHMZBOCLSA-N 2 2 228.336 0.631 20 0 BCADLP COC(C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21)OC ZINC000375251121 387518592 /nfs/dbraw/zinc/51/85/92/387518592.db2.gz YTISVMZUZQHFBW-GHMZBOCLSA-N 2 2 228.336 0.631 20 0 BCADLP COC(C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21)OC ZINC000375251121 387518594 /nfs/dbraw/zinc/51/85/94/387518594.db2.gz YTISVMZUZQHFBW-GHMZBOCLSA-N 2 2 228.336 0.631 20 0 BCADLP COC(C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21)OC ZINC000375251121 387518596 /nfs/dbraw/zinc/51/85/96/387518596.db2.gz YTISVMZUZQHFBW-GHMZBOCLSA-N 2 2 228.336 0.631 20 0 BCADLP CSC1(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000304363898 387470525 /nfs/dbraw/zinc/47/05/25/387470525.db2.gz ZBQASWCWFALSMR-NSHDSACASA-N 2 2 243.420 0.717 20 0 BCADLP CSC1(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000304363898 387470528 /nfs/dbraw/zinc/47/05/28/387470528.db2.gz ZBQASWCWFALSMR-NSHDSACASA-N 2 2 243.420 0.717 20 0 BCADLP C[C@@H](C[NH2+]CC1(C)COC1)C[NH+]1CCOCC1 ZINC000352752970 387472108 /nfs/dbraw/zinc/47/21/08/387472108.db2.gz ZUVNWROCIZWQJW-LBPRGKRZSA-N 2 2 242.363 0.581 20 0 BCADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643508041 387481632 /nfs/dbraw/zinc/48/16/32/387481632.db2.gz CYADGTYXHGNYFQ-ZYHUDNBSSA-N 3 2 211.353 0.716 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+]CC[NH2+]C1CC1 ZINC000643507493 387486249 /nfs/dbraw/zinc/48/62/49/387486249.db2.gz GQIXCOGRCYJQFU-SNVBAGLBSA-N 2 2 208.309 0.613 20 0 BCADLP Cc1cc(CNC(=O)C[NH+](C)C)cc(C)[nH+]1 ZINC000421913323 387486371 /nfs/dbraw/zinc/48/63/71/387486371.db2.gz FIKPSJQZGUJGNJ-UHFFFAOYSA-N 2 2 221.304 0.876 20 0 BCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)NCC1CC1 ZINC000123722255 387591672 /nfs/dbraw/zinc/59/16/72/387591672.db2.gz GLNSRWVIBJBJPX-GFCCVEGCSA-N 2 2 241.379 0.818 20 0 BCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)NCC1CC1 ZINC000123722255 387591676 /nfs/dbraw/zinc/59/16/76/387591676.db2.gz GLNSRWVIBJBJPX-GFCCVEGCSA-N 2 2 241.379 0.818 20 0 BCADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@H](O)C2)n1C ZINC000362295504 387591956 /nfs/dbraw/zinc/59/19/56/387591956.db2.gz MDDURLSBFWPKMM-NSHDSACASA-N 2 2 238.335 0.443 20 0 BCADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@H](O)C2)n1C ZINC000362295504 387591960 /nfs/dbraw/zinc/59/19/60/387591960.db2.gz MDDURLSBFWPKMM-NSHDSACASA-N 2 2 238.335 0.443 20 0 BCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N(C)C1CC1 ZINC000123732320 387592517 /nfs/dbraw/zinc/59/25/17/387592517.db2.gz ZDEOCHAWRPZVBO-LBPRGKRZSA-N 2 2 241.379 0.912 20 0 BCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N(C)C1CC1 ZINC000123732320 387592522 /nfs/dbraw/zinc/59/25/22/387592522.db2.gz ZDEOCHAWRPZVBO-LBPRGKRZSA-N 2 2 241.379 0.912 20 0 BCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CC1(F)CC1 ZINC000527518434 387594311 /nfs/dbraw/zinc/59/43/11/387594311.db2.gz DPFWFXVNWBLSNF-JTQLQIEISA-N 2 2 243.326 0.418 20 0 BCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CC1(F)CC1 ZINC000527518434 387594315 /nfs/dbraw/zinc/59/43/15/387594315.db2.gz DPFWFXVNWBLSNF-JTQLQIEISA-N 2 2 243.326 0.418 20 0 BCADLP CCN(C)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000362396910 387608503 /nfs/dbraw/zinc/60/85/03/387608503.db2.gz FNDUINPODCQCTE-GFCCVEGCSA-N 2 2 241.379 0.738 20 0 BCADLP CCN(C)C(=O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000362396910 387608508 /nfs/dbraw/zinc/60/85/08/387608508.db2.gz FNDUINPODCQCTE-GFCCVEGCSA-N 2 2 241.379 0.738 20 0 BCADLP CCN(C)C(=O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000362396910 387608510 /nfs/dbraw/zinc/60/85/10/387608510.db2.gz FNDUINPODCQCTE-GFCCVEGCSA-N 2 2 241.379 0.738 20 0 BCADLP CCN(C)C(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000362396910 387608515 /nfs/dbraw/zinc/60/85/15/387608515.db2.gz FNDUINPODCQCTE-GFCCVEGCSA-N 2 2 241.379 0.738 20 0 BCADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nnnn2C)C[C@@H]1C[NH3+] ZINC000422642786 387611216 /nfs/dbraw/zinc/61/12/16/387611216.db2.gz ZZBTULHDLNWHSF-BBBLOLIVSA-N 2 2 238.339 0.015 20 0 BCADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nnnn2C)C[C@@H]1C[NH3+] ZINC000422642786 387611222 /nfs/dbraw/zinc/61/12/22/387611222.db2.gz ZZBTULHDLNWHSF-BBBLOLIVSA-N 2 2 238.339 0.015 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000305593620 387615253 /nfs/dbraw/zinc/61/52/53/387615253.db2.gz XHXJWJPGOICCQI-ZDUSSCGKSA-N 2 2 239.363 0.588 20 0 BCADLP CCCCNC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000305593620 387615257 /nfs/dbraw/zinc/61/52/57/387615257.db2.gz XHXJWJPGOICCQI-ZDUSSCGKSA-N 2 2 239.363 0.588 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCCN1CCOCC1 ZINC000430547513 387626561 /nfs/dbraw/zinc/62/65/61/387626561.db2.gz UMVYWRCHNZUDRY-CYBMUJFWSA-N 2 2 241.379 0.393 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1CCCN1CCOCC1 ZINC000430547513 387626565 /nfs/dbraw/zinc/62/65/65/387626565.db2.gz UMVYWRCHNZUDRY-CYBMUJFWSA-N 2 2 241.379 0.393 20 0 BCADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c(C)cn2C1)C(N)=O ZINC000112540196 387545804 /nfs/dbraw/zinc/54/58/04/387545804.db2.gz QCBCGRZEHCJTEJ-UWVGGRQHSA-N 2 2 236.319 0.360 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C)C2=O)CC[N@@H+]1C ZINC000361965808 387555791 /nfs/dbraw/zinc/55/57/91/387555791.db2.gz DUVXTGJMXXNJHP-IJLUTSLNSA-N 2 2 239.363 0.680 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C)C2=O)CC[N@H+]1C ZINC000361965808 387555793 /nfs/dbraw/zinc/55/57/93/387555793.db2.gz DUVXTGJMXXNJHP-IJLUTSLNSA-N 2 2 239.363 0.680 20 0 BCADLP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[NH2+]C1 ZINC000527534091 387627287 /nfs/dbraw/zinc/62/72/87/387627287.db2.gz ZCNXPCWUPHAEFK-VXGBXAGGSA-N 3 2 223.364 0.860 20 0 BCADLP [NH3+]C[C@@H]1CCCN1CCC[NH+]1CCOCC1 ZINC000430548956 387627513 /nfs/dbraw/zinc/62/75/13/387627513.db2.gz WWIZIASMEODSDU-LBPRGKRZSA-N 2 2 227.352 0.132 20 0 BCADLP [NH3+]C[C@@H]1CCC[N@@H+]1CCCN1CCOCC1 ZINC000430548956 387627516 /nfs/dbraw/zinc/62/75/16/387627516.db2.gz WWIZIASMEODSDU-LBPRGKRZSA-N 2 2 227.352 0.132 20 0 BCADLP [NH3+]C[C@@H]1CCC[N@H+]1CCCN1CCOCC1 ZINC000430548956 387627522 /nfs/dbraw/zinc/62/75/22/387627522.db2.gz WWIZIASMEODSDU-LBPRGKRZSA-N 2 2 227.352 0.132 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199344 387576894 /nfs/dbraw/zinc/57/68/94/387576894.db2.gz DQFYECHZPAWHOI-GHMZBOCLSA-N 2 2 239.363 0.537 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199344 387576898 /nfs/dbraw/zinc/57/68/98/387576898.db2.gz DQFYECHZPAWHOI-GHMZBOCLSA-N 2 2 239.363 0.537 20 0 BCADLP Cn1cncc1C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430583601 387630633 /nfs/dbraw/zinc/63/06/33/387630633.db2.gz NGRMBBCIFZPDGB-NSHDSACASA-N 2 2 208.309 0.637 20 0 BCADLP CCOCCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422729876 387637633 /nfs/dbraw/zinc/63/76/33/387637633.db2.gz LECXZJFDNVLWOP-CHWSQXEVSA-N 2 2 242.363 0.770 20 0 BCADLP CCOCCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422729877 387638750 /nfs/dbraw/zinc/63/87/50/387638750.db2.gz LECXZJFDNVLWOP-OLZOCXBDSA-N 2 2 242.363 0.770 20 0 BCADLP CCCNC(=O)CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422734593 387642326 /nfs/dbraw/zinc/64/23/26/387642326.db2.gz UCLAFGAKDIEAQN-MNOVXSKESA-N 2 2 227.352 0.490 20 0 BCADLP CC(C)(C[NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000430802855 387653819 /nfs/dbraw/zinc/65/38/19/387653819.db2.gz OUDIUDKRSWQKIA-UHFFFAOYSA-N 2 2 246.314 0.935 20 0 BCADLP Cc1cc(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)cc[nH+]1 ZINC000362799704 387659717 /nfs/dbraw/zinc/65/97/17/387659717.db2.gz WZYBSRNMBDYRFJ-CABZTGNLSA-N 2 2 233.315 0.948 20 0 BCADLP Cc1cc(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)cc[nH+]1 ZINC000362799704 387659722 /nfs/dbraw/zinc/65/97/22/387659722.db2.gz WZYBSRNMBDYRFJ-CABZTGNLSA-N 2 2 233.315 0.948 20 0 BCADLP Cc1cc(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)cc[nH+]1 ZINC000362799706 387660431 /nfs/dbraw/zinc/66/04/31/387660431.db2.gz WZYBSRNMBDYRFJ-SKDRFNHKSA-N 2 2 233.315 0.948 20 0 BCADLP Cc1cc(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)cc[nH+]1 ZINC000362799706 387660435 /nfs/dbraw/zinc/66/04/35/387660435.db2.gz WZYBSRNMBDYRFJ-SKDRFNHKSA-N 2 2 233.315 0.948 20 0 BCADLP C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430938215 387662401 /nfs/dbraw/zinc/66/24/01/387662401.db2.gz HDSRFFDQTRZGNN-WXHSDQCUSA-N 2 2 247.342 0.882 20 0 BCADLP C[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430938215 387662406 /nfs/dbraw/zinc/66/24/06/387662406.db2.gz HDSRFFDQTRZGNN-WXHSDQCUSA-N 2 2 247.342 0.882 20 0 BCADLP Cc1cc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)ccn1 ZINC000527657189 387662892 /nfs/dbraw/zinc/66/28/92/387662892.db2.gz JXKYBEHPLMGLHN-AWEZNQCLSA-N 2 2 248.374 0.725 20 0 BCADLP Cc1cc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)ccn1 ZINC000527657189 387662896 /nfs/dbraw/zinc/66/28/96/387662896.db2.gz JXKYBEHPLMGLHN-AWEZNQCLSA-N 2 2 248.374 0.725 20 0 BCADLP NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430959663 387665138 /nfs/dbraw/zinc/66/51/38/387665138.db2.gz CUTBMEXFKQZMPE-PWSUYJOCSA-N 2 2 233.315 0.494 20 0 BCADLP NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430959663 387665144 /nfs/dbraw/zinc/66/51/44/387665144.db2.gz CUTBMEXFKQZMPE-PWSUYJOCSA-N 2 2 233.315 0.494 20 0 BCADLP C[NH2+]C1CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC1 ZINC000430965412 387665411 /nfs/dbraw/zinc/66/54/11/387665411.db2.gz JDLDKTDFCMUGCY-LLVKDONJSA-N 2 2 241.379 0.926 20 0 BCADLP [NH3+][C@@H]1C[C@@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000424138654 387672752 /nfs/dbraw/zinc/67/27/52/387672752.db2.gz UHGCIGAYMQSNJV-WDEREUQCSA-N 2 2 248.330 0.225 20 0 BCADLP CC[C@@H](F)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000440704819 387674843 /nfs/dbraw/zinc/67/48/43/387674843.db2.gz OPUIRGOBBONGPD-LLVKDONJSA-N 2 2 245.342 0.440 20 0 BCADLP CC(C)[C@@H](O)CC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422779422 387678150 /nfs/dbraw/zinc/67/81/50/387678150.db2.gz IQYNZKPBIOCCHW-UPJWGTAASA-N 2 2 244.379 0.750 20 0 BCADLP COC[C@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000441319044 387748000 /nfs/dbraw/zinc/74/80/00/387748000.db2.gz SFJVEESHBROLCJ-NSHDSACASA-N 2 2 230.352 0.410 20 0 BCADLP COC[C@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000441319044 387748005 /nfs/dbraw/zinc/74/80/05/387748005.db2.gz SFJVEESHBROLCJ-NSHDSACASA-N 2 2 230.352 0.410 20 0 BCADLP COC(=O)[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000377824351 387752172 /nfs/dbraw/zinc/75/21/72/387752172.db2.gz RHBZLOGPJDPQRK-NXEZZACHSA-N 2 2 237.303 0.657 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000527760303 387697871 /nfs/dbraw/zinc/69/78/71/387697871.db2.gz WYGFBZVOMLMRGX-KXNHARMFSA-N 2 2 228.336 0.066 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000527760303 387697877 /nfs/dbraw/zinc/69/78/77/387697877.db2.gz WYGFBZVOMLMRGX-KXNHARMFSA-N 2 2 228.336 0.066 20 0 BCADLP Cc1[nH]c(C(=O)NCC[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000422802983 387701031 /nfs/dbraw/zinc/70/10/31/387701031.db2.gz CBLGSFRPAQXZLT-SNVBAGLBSA-N 2 2 236.319 0.838 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000527789911 387715944 /nfs/dbraw/zinc/71/59/44/387715944.db2.gz QGCGSBRXTVPYCJ-UZEXVOJHSA-N 2 2 210.321 0.705 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000527789911 387715946 /nfs/dbraw/zinc/71/59/46/387715946.db2.gz QGCGSBRXTVPYCJ-UZEXVOJHSA-N 2 2 210.321 0.705 20 0 BCADLP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000643522748 387721564 /nfs/dbraw/zinc/72/15/64/387721564.db2.gz BYUAIRTXCAABAM-SDDRHHMPSA-N 3 2 211.353 0.859 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@](C)(C[NH3+])C2CC2)c[nH+]1 ZINC000422831447 387726144 /nfs/dbraw/zinc/72/61/44/387726144.db2.gz SXARUKUWNQZGCO-NSHDSACASA-N 2 2 222.292 0.575 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000648524209 387739628 /nfs/dbraw/zinc/73/96/28/387739628.db2.gz VSSCZTLNXPFKNV-ITGUQSILSA-N 2 2 244.379 0.846 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000648524209 387739632 /nfs/dbraw/zinc/73/96/32/387739632.db2.gz VSSCZTLNXPFKNV-ITGUQSILSA-N 2 2 244.379 0.846 20 0 BCADLP C1CC1[C@@H]([NH2+][C@@H]1CCCOC1)[C@H]1C[NH2+]CCO1 ZINC000422858193 387740305 /nfs/dbraw/zinc/74/03/05/387740305.db2.gz HZJMTCUKTLYTIL-JHJVBQTASA-N 2 2 240.347 0.522 20 0 BCADLP CC(C)C(=O)NC[C@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000442659134 387813645 /nfs/dbraw/zinc/81/36/45/387813645.db2.gz KJDHGZHDMOHEPE-NWDGAFQWSA-N 2 2 241.379 0.818 20 0 BCADLP CC(C)C(=O)NC[C@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000442659134 387813648 /nfs/dbraw/zinc/81/36/48/387813648.db2.gz KJDHGZHDMOHEPE-NWDGAFQWSA-N 2 2 241.379 0.818 20 0 BCADLP CC(C)NC(=O)CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422934070 387783453 /nfs/dbraw/zinc/78/34/53/387783453.db2.gz FCTDPWOPBDCFHZ-QWRGUYRKSA-N 2 2 227.352 0.489 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000049281097 387786066 /nfs/dbraw/zinc/78/60/66/387786066.db2.gz HRDJSGPJDAWHQZ-GFCCVEGCSA-N 2 2 241.379 0.834 20 0 BCADLP CCCCNC(=O)C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000049281097 387786071 /nfs/dbraw/zinc/78/60/71/387786071.db2.gz HRDJSGPJDAWHQZ-GFCCVEGCSA-N 2 2 241.379 0.834 20 0 BCADLP CC(C)N1CC[C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1=O ZINC000422982495 387794082 /nfs/dbraw/zinc/79/40/82/387794082.db2.gz QXLBJYISHKPVAM-GRYCIOLGSA-N 2 2 239.363 0.726 20 0 BCADLP C1CC1[C@@H]([NH2+]C1CCC1)[C@@H]1C[NH2+]CCO1 ZINC000422960187 387811276 /nfs/dbraw/zinc/81/12/76/387811276.db2.gz VONKFBDJYSHJFJ-NWDGAFQWSA-N 2 2 210.321 0.896 20 0 BCADLP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424161604 387844636 /nfs/dbraw/zinc/84/46/36/387844636.db2.gz BTOQARPVEQJHCI-RKDXNWHRSA-N 2 2 249.305 0.203 20 0 BCADLP COC[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000433007110 387848984 /nfs/dbraw/zinc/84/89/84/387848984.db2.gz UERBQPUEXUQILZ-CHWSQXEVSA-N 2 2 242.363 0.864 20 0 BCADLP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000433009474 387849018 /nfs/dbraw/zinc/84/90/18/387849018.db2.gz UFPRKXXNBBGGSG-NNYUYHANSA-N 2 2 240.347 0.868 20 0 BCADLP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000433009474 387849021 /nfs/dbraw/zinc/84/90/21/387849021.db2.gz UFPRKXXNBBGGSG-NNYUYHANSA-N 2 2 240.347 0.868 20 0 BCADLP Cc1ncc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c(=O)[nH]1 ZINC000423035632 387850863 /nfs/dbraw/zinc/85/08/63/387850863.db2.gz SCWCSRVFZCLXQQ-GZMMTYOYSA-N 2 2 236.319 0.578 20 0 BCADLP C[NH+](C)CC(=O)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000062622716 387854251 /nfs/dbraw/zinc/85/42/51/387854251.db2.gz OSTNQYDENQZVJD-ZDUSSCGKSA-N 2 2 247.342 0.721 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C)C1 ZINC000442876089 387854668 /nfs/dbraw/zinc/85/46/68/387854668.db2.gz UQXMOPVQEMJLRD-NNYUYHANSA-N 2 2 239.363 0.583 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C)C1 ZINC000442876089 387854673 /nfs/dbraw/zinc/85/46/73/387854673.db2.gz UQXMOPVQEMJLRD-NNYUYHANSA-N 2 2 239.363 0.583 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC(=O)NCC1CC1 ZINC000423041757 387855799 /nfs/dbraw/zinc/85/57/99/387855799.db2.gz JRCFOVQOTVPMHN-ONGXEEELSA-N 2 2 225.336 0.100 20 0 BCADLP C[C@H]([NH3+])CCC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424171904 387862396 /nfs/dbraw/zinc/86/23/96/387862396.db2.gz CMXNRGQFADEZDG-IUCAKERBSA-N 2 2 249.305 0.475 20 0 BCADLP CO[C@H](C)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423063684 387867757 /nfs/dbraw/zinc/86/77/57/387867757.db2.gz XEZWZOAZKQXGMH-USWWRNFRSA-N 2 2 228.336 0.378 20 0 BCADLP C[C@@H]([NH3+])C[NH+]1CCC(Cn2cccn2)CC1 ZINC000442661723 387816192 /nfs/dbraw/zinc/81/61/92/387816192.db2.gz OIWADKLSCLNKHP-LLVKDONJSA-N 2 2 222.336 0.942 20 0 BCADLP CCCC(=O)NC[C@@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000442660790 387816601 /nfs/dbraw/zinc/81/66/01/387816601.db2.gz MSPUJLLDCBUXPV-NEPJUHHUSA-N 2 2 241.379 0.962 20 0 BCADLP CCCC(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000442660790 387816606 /nfs/dbraw/zinc/81/66/06/387816606.db2.gz MSPUJLLDCBUXPV-NEPJUHHUSA-N 2 2 241.379 0.962 20 0 BCADLP C[C@@H]([NH3+])C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000442665013 387816618 /nfs/dbraw/zinc/81/66/18/387816618.db2.gz NOFWMJQWNTWJJI-LLVKDONJSA-N 2 2 239.363 0.668 20 0 BCADLP CC[C@H]([NH2+][C@H](C)C(=O)NCCF)[C@@H]1CCC[NH2+]1 ZINC000423113760 387896232 /nfs/dbraw/zinc/89/62/32/387896232.db2.gz LEMGHHWNVNOUDC-VWYCJHECSA-N 2 2 245.342 0.581 20 0 BCADLP COC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000423089373 387880734 /nfs/dbraw/zinc/88/07/34/387880734.db2.gz UYSFTHRGUUZOJY-ZDEQEGDKSA-N 2 2 242.363 0.911 20 0 BCADLP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c(=O)n1C ZINC000423085547 387881632 /nfs/dbraw/zinc/88/16/32/387881632.db2.gz KEBMKQSARUODFZ-WCQYABFASA-N 2 2 249.358 0.924 20 0 BCADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)C(=O)NCCF ZINC000423116764 387898624 /nfs/dbraw/zinc/89/86/24/387898624.db2.gz RLLLHZCWECUNLI-GARJFASQSA-N 2 2 245.342 0.581 20 0 BCADLP CC[C@H]([NH2+]C[C@H](O)C(F)F)[C@@H]1CCC[NH2+]1 ZINC000423093811 387886025 /nfs/dbraw/zinc/88/60/25/387886025.db2.gz IMZAUHYUSBJDGY-CIUDSAMLSA-N 2 2 222.279 0.733 20 0 BCADLP C[C@@H]([NH2+]C[C@H](O)C(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423096605 387886834 /nfs/dbraw/zinc/88/68/34/387886834.db2.gz PORWTDXRAVNKRV-VGMNWLOBSA-N 2 2 222.279 0.733 20 0 BCADLP CC[C@@H]([NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)C(=O)NC ZINC000423157132 387936398 /nfs/dbraw/zinc/93/63/98/387936398.db2.gz AJXFHMHFTJNCIF-HBNTYKKESA-N 2 2 227.352 0.631 20 0 BCADLP CCN1C[C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)CC1=O ZINC000423148497 387924734 /nfs/dbraw/zinc/92/47/34/387924734.db2.gz GEMOXHIXGNWUQU-OUAUKWLOSA-N 2 2 225.336 0.337 20 0 BCADLP CCN1C[C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CC1=O ZINC000423148496 387925038 /nfs/dbraw/zinc/92/50/38/387925038.db2.gz GEMOXHIXGNWUQU-GARJFASQSA-N 2 2 225.336 0.337 20 0 BCADLP Cc1cc(CNC(=O)[C@H]2C[NH2+]CCO2)cc(C)[nH+]1 ZINC000424198045 387925872 /nfs/dbraw/zinc/92/58/72/387925872.db2.gz IAKFOMZDDANRAC-GFCCVEGCSA-N 2 2 249.314 0.303 20 0 BCADLP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)C2 ZINC000237883819 387928857 /nfs/dbraw/zinc/92/88/57/387928857.db2.gz HWMPVOMVPBMDKW-GHMZBOCLSA-N 2 2 248.330 0.232 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424286597 387952540 /nfs/dbraw/zinc/95/25/40/387952540.db2.gz HKIRLRAFDRMZNG-GHMZBOCLSA-N 2 2 227.352 0.714 20 0 BCADLP CCCC[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424286627 387953006 /nfs/dbraw/zinc/95/30/06/387953006.db2.gz HNLFZWJTPZRXJB-NWDGAFQWSA-N 2 2 222.336 0.947 20 0 BCADLP CCCC[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424286627 387953010 /nfs/dbraw/zinc/95/30/10/387953010.db2.gz HNLFZWJTPZRXJB-NWDGAFQWSA-N 2 2 222.336 0.947 20 0 BCADLP CC[C@@H]([NH2+][C@H](CC)[C@@H]1CCC[NH2+]1)C(=O)NC ZINC000423159624 387942063 /nfs/dbraw/zinc/94/20/63/387942063.db2.gz GANAITWQAJVPKB-MXWKQRLJSA-N 2 2 227.352 0.631 20 0 BCADLP C[NH2+]CCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000309621667 387942359 /nfs/dbraw/zinc/94/23/59/387942359.db2.gz HQDPFFSFVKHDSB-GFCCVEGCSA-N 3 2 211.353 0.671 20 0 BCADLP C[NH2+]CCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000309621667 387942364 /nfs/dbraw/zinc/94/23/64/387942364.db2.gz HQDPFFSFVKHDSB-GFCCVEGCSA-N 3 2 211.353 0.671 20 0 BCADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)C(=O)NC ZINC000423161824 387944388 /nfs/dbraw/zinc/94/43/88/387944388.db2.gz JTDAAVOKOAOJCR-LPEHRKFASA-N 2 2 213.325 0.099 20 0 BCADLP [NH3+]C[C@H]1CCC[C@@H]1NCC[N@H+]1CC=CCC1 ZINC000392248844 387944663 /nfs/dbraw/zinc/94/46/63/387944663.db2.gz SRTXUGMFAJZVCL-OLZOCXBDSA-N 2 2 223.364 0.965 20 0 BCADLP [NH3+]C[C@H]1CCC[C@@H]1NCC[N@@H+]1CC=CCC1 ZINC000392248844 387944664 /nfs/dbraw/zinc/94/46/64/387944664.db2.gz SRTXUGMFAJZVCL-OLZOCXBDSA-N 2 2 223.364 0.965 20 0 BCADLP C([NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)[C@H]1CCCO1 ZINC000423164335 387945467 /nfs/dbraw/zinc/94/54/67/387945467.db2.gz WUIIKNUQFHFSLU-JHJVBQTASA-N 2 2 240.347 0.522 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@H]1NCC[N@H+]1CC=CCC1 ZINC000392248845 387946187 /nfs/dbraw/zinc/94/61/87/387946187.db2.gz SRTXUGMFAJZVCL-QWHCGFSZSA-N 2 2 223.364 0.965 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@H]1NCC[N@@H+]1CC=CCC1 ZINC000392248845 387946190 /nfs/dbraw/zinc/94/61/90/387946190.db2.gz SRTXUGMFAJZVCL-QWHCGFSZSA-N 2 2 223.364 0.965 20 0 BCADLP COCCC[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424299854 387961007 /nfs/dbraw/zinc/96/10/07/387961007.db2.gz SZBDMERNHOSTQJ-NWDGAFQWSA-N 2 2 238.335 0.183 20 0 BCADLP COCCC[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424299854 387961010 /nfs/dbraw/zinc/96/10/10/387961010.db2.gz SZBDMERNHOSTQJ-NWDGAFQWSA-N 2 2 238.335 0.183 20 0 BCADLP Cc1cn2cc(NC(=O)COCC[NH3+])ccc2[nH+]1 ZINC000645879226 387956743 /nfs/dbraw/zinc/95/67/43/387956743.db2.gz DFYSPZSHXGHMOB-UHFFFAOYSA-N 2 2 248.286 0.557 20 0 BCADLP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424338101 387980398 /nfs/dbraw/zinc/98/03/98/387980398.db2.gz SYNAQLARYSTJAB-VXGBXAGGSA-N 2 2 239.363 0.714 20 0 BCADLP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[NH2+]C1)CO2 ZINC000423212499 387994774 /nfs/dbraw/zinc/99/47/74/387994774.db2.gz JPKHGPMSTYXHEA-RYUDHWBXSA-N 2 2 248.326 0.950 20 0 BCADLP COC(=O)CC1CC([NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000424343430 387984465 /nfs/dbraw/zinc/98/44/65/387984465.db2.gz FLOPDISRKONLJR-WHXUTIOJSA-N 2 2 228.336 0.868 20 0 BCADLP COC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420409961 387998570 /nfs/dbraw/zinc/99/85/70/387998570.db2.gz XSINMRUSWRGOQH-WDEREUQCSA-N 2 2 226.320 0.623 20 0 BCADLP COC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420409961 387998572 /nfs/dbraw/zinc/99/85/72/387998572.db2.gz XSINMRUSWRGOQH-WDEREUQCSA-N 2 2 226.320 0.623 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000082523274 388036556 /nfs/dbraw/zinc/03/65/56/388036556.db2.gz VMVRELFUXMNTBP-SNVBAGLBSA-N 2 2 221.260 0.317 20 0 BCADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000423262668 388040423 /nfs/dbraw/zinc/04/04/23/388040423.db2.gz NCRRWYYDAUMBJU-TUAOUCFPSA-N 2 2 213.369 0.900 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000453264025 388027674 /nfs/dbraw/zinc/02/76/74/388027674.db2.gz MFXBHOYZIMPBGB-YNEHKIRRSA-N 2 2 244.379 0.846 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000453264025 388027677 /nfs/dbraw/zinc/02/76/77/388027677.db2.gz MFXBHOYZIMPBGB-YNEHKIRRSA-N 2 2 244.379 0.846 20 0 BCADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)[C@H](O)C(F)F ZINC000453266004 388030358 /nfs/dbraw/zinc/03/03/58/388030358.db2.gz DTJQMMNIENDQDT-QEYWKRMJSA-N 2 2 236.306 0.931 20 0 BCADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)[C@H](O)C(F)F ZINC000453266004 388030361 /nfs/dbraw/zinc/03/03/61/388030361.db2.gz DTJQMMNIENDQDT-QEYWKRMJSA-N 2 2 236.306 0.931 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000453275628 388031280 /nfs/dbraw/zinc/03/12/80/388031280.db2.gz XBAXDTFMSMFTEX-JHJVBQTASA-N 2 2 244.379 0.846 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000453275628 388031282 /nfs/dbraw/zinc/03/12/82/388031282.db2.gz XBAXDTFMSMFTEX-JHJVBQTASA-N 2 2 244.379 0.846 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]CC(C)(C)O)n1C ZINC000083461425 388053197 /nfs/dbraw/zinc/05/31/97/388053197.db2.gz ZFSIBVYENWUZEI-UHFFFAOYSA-N 2 2 226.324 0.347 20 0 BCADLP CC[C@@H]([NH2+]C[C@H](C)C[NH2+]C)[C@@H]1CCC[NH2+]1 ZINC000423278759 388060807 /nfs/dbraw/zinc/06/08/07/388060807.db2.gz RLCMUBOLRJWQDL-UTUOFQBUSA-N 3 2 213.369 0.962 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CCC[C@H]2O)C1 ZINC000453402412 388074041 /nfs/dbraw/zinc/07/40/41/388074041.db2.gz FXPUAOWDWUQFPV-DDHJBXDOSA-N 2 2 212.337 0.830 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CCC[C@H]2O)C1 ZINC000453402412 388074045 /nfs/dbraw/zinc/07/40/45/388074045.db2.gz FXPUAOWDWUQFPV-DDHJBXDOSA-N 2 2 212.337 0.830 20 0 BCADLP CC1(C(N)=O)C[NH+](CCCn2cc[nH+]c2)C1 ZINC000645958651 388087604 /nfs/dbraw/zinc/08/76/04/388087604.db2.gz ZZYUBZOEPHYQGH-UHFFFAOYSA-N 2 2 222.292 0.080 20 0 BCADLP OC[C@H]([NH2+]CCCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000447905467 388101212 /nfs/dbraw/zinc/10/12/12/388101212.db2.gz UHXBGAKIHUTDFA-NWDGAFQWSA-N 2 2 239.319 0.403 20 0 BCADLP C[C@@H](O)CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000162442024 388170723 /nfs/dbraw/zinc/17/07/23/388170723.db2.gz ZOPKFXBTJWHWMA-LLVKDONJSA-N 2 2 211.309 0.976 20 0 BCADLP C[C@@H](O)CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000162442024 388170725 /nfs/dbraw/zinc/17/07/25/388170725.db2.gz ZOPKFXBTJWHWMA-LLVKDONJSA-N 2 2 211.309 0.976 20 0 BCADLP [NH3+]CCCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265091 388173249 /nfs/dbraw/zinc/17/32/49/388173249.db2.gz LICDQFWMWXFYQQ-NSHDSACASA-N 2 2 248.330 0.515 20 0 BCADLP COc1cc[nH+]cc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449336074 388175387 /nfs/dbraw/zinc/17/53/87/388175387.db2.gz LUQXMLOFQDFFBH-RKDXNWHRSA-N 2 2 235.287 0.884 20 0 BCADLP CCS(=O)(=O)C[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000162218268 388127348 /nfs/dbraw/zinc/12/73/48/388127348.db2.gz RZYSWQFJONOPTB-JTQLQIEISA-N 2 2 245.348 0.296 20 0 BCADLP [NH3+]CC1(CC(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000646046155 388131835 /nfs/dbraw/zinc/13/18/35/388131835.db2.gz ZRAMRTWBMCDRDT-UHFFFAOYSA-N 2 2 208.265 0.155 20 0 BCADLP [NH3+]CC1(CC(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000646046155 388131837 /nfs/dbraw/zinc/13/18/37/388131837.db2.gz ZRAMRTWBMCDRDT-UHFFFAOYSA-N 2 2 208.265 0.155 20 0 BCADLP C[C@H]([NH3+])[C@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000165490128 388252715 /nfs/dbraw/zinc/25/27/15/388252715.db2.gz VVRDXWPFDRHNCS-YUMQZZPRSA-N 2 2 210.281 0.351 20 0 BCADLP COCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449393223 388193041 /nfs/dbraw/zinc/19/30/41/388193041.db2.gz LSOWNYJJQZCPBD-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP COCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449393223 388193043 /nfs/dbraw/zinc/19/30/43/388193043.db2.gz LSOWNYJJQZCPBD-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP COC1CC([NH2+][C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000449398235 388193904 /nfs/dbraw/zinc/19/39/04/388193904.db2.gz TZEHOEYRKHHFRV-PNESKVBLSA-N 2 2 242.363 0.600 20 0 BCADLP COC1CC([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000449398235 388193908 /nfs/dbraw/zinc/19/39/08/388193908.db2.gz TZEHOEYRKHHFRV-PNESKVBLSA-N 2 2 242.363 0.600 20 0 BCADLP CC[C@H](COC)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449397304 388194691 /nfs/dbraw/zinc/19/46/91/388194691.db2.gz PCKYEUGBOIFJCB-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP CC[C@H](COC)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449397304 388194693 /nfs/dbraw/zinc/19/46/93/388194693.db2.gz PCKYEUGBOIFJCB-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP C[C@H](CCCO)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000449408312 388197507 /nfs/dbraw/zinc/19/75/07/388197507.db2.gz NKALJLWBXNVWFO-IJLUTSLNSA-N 2 2 214.353 0.935 20 0 BCADLP C[C@H](CCCO)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000449408312 388197510 /nfs/dbraw/zinc/19/75/10/388197510.db2.gz NKALJLWBXNVWFO-IJLUTSLNSA-N 2 2 214.353 0.935 20 0 BCADLP CC1(C)COC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000313103149 256537799 /nfs/dbraw/zinc/53/77/99/256537799.db2.gz IDJUKFUGXAEKEC-SNVBAGLBSA-N 2 2 209.293 0.898 20 0 BCADLP C[NH+](C)C/C=C/C(=O)NCCc1[nH]cc[nH+]1 ZINC000492041015 388332665 /nfs/dbraw/zinc/33/26/65/388332665.db2.gz MOKCHPYMTUAGEU-ONEGZZNKSA-N 2 2 222.292 0.186 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)/C=C/C[NH+](C)C ZINC000491863269 388325363 /nfs/dbraw/zinc/32/53/63/388325363.db2.gz DATHXQHNZQVHNP-SNAWJCMRSA-N 2 2 222.292 0.486 20 0 BCADLP C[C@@H]1[C@H](C(=O)NCc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000648780030 388347548 /nfs/dbraw/zinc/34/75/48/388347548.db2.gz QIKRETGAINTHMK-RKDXNWHRSA-N 2 2 222.292 0.366 20 0 BCADLP C[C@@H]1[C@H](C(=O)NCc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000648780030 388347551 /nfs/dbraw/zinc/34/75/51/388347551.db2.gz QIKRETGAINTHMK-RKDXNWHRSA-N 2 2 222.292 0.366 20 0 BCADLP C[NH2+]CC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000516568533 388349012 /nfs/dbraw/zinc/34/90/12/388349012.db2.gz KFRFSENRDBILSM-VIFPVBQESA-N 2 2 210.281 0.442 20 0 BCADLP CO[C@H](C[NH2+]CCc1cn(C)c[nH+]1)C1CC1 ZINC000400178092 388366606 /nfs/dbraw/zinc/36/66/06/388366606.db2.gz NTZOLEHSGJVUEM-GFCCVEGCSA-N 2 2 223.320 0.977 20 0 BCADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)[C@H](C)O)C1 ZINC000519142095 256644096 /nfs/dbraw/zinc/64/40/96/256644096.db2.gz YNURGITUNJFUFX-DCAQKATOSA-N 2 2 200.326 0.830 20 0 BCADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)[C@H](C)O)C1 ZINC000519142095 256644098 /nfs/dbraw/zinc/64/40/98/256644098.db2.gz YNURGITUNJFUFX-DCAQKATOSA-N 2 2 200.326 0.830 20 0 BCADLP C[C@H](O)C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000572701958 388367485 /nfs/dbraw/zinc/36/74/85/388367485.db2.gz GPMVUYKOUWNGBX-SRVKXCTJSA-N 2 2 230.352 0.456 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC2(C[NH3+])CC2)C1 ZINC000572879711 388382666 /nfs/dbraw/zinc/38/26/66/388382666.db2.gz SWSNHQNGLDTCHI-QWRGUYRKSA-N 3 2 211.353 0.785 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC2(C[NH3+])CC2)C1 ZINC000572879711 388382670 /nfs/dbraw/zinc/38/26/70/388382670.db2.gz SWSNHQNGLDTCHI-QWRGUYRKSA-N 3 2 211.353 0.785 20 0 BCADLP CC[N@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000572973258 388401696 /nfs/dbraw/zinc/40/16/96/388401696.db2.gz RMFPTVINWDXIIV-JTQLQIEISA-N 2 2 238.335 0.656 20 0 BCADLP CC[N@@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000572973258 388401697 /nfs/dbraw/zinc/40/16/97/388401697.db2.gz RMFPTVINWDXIIV-JTQLQIEISA-N 2 2 238.335 0.656 20 0 BCADLP CC[N@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000572973258 388401699 /nfs/dbraw/zinc/40/16/99/388401699.db2.gz RMFPTVINWDXIIV-JTQLQIEISA-N 2 2 238.335 0.656 20 0 BCADLP CC[N@@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000572973258 388401701 /nfs/dbraw/zinc/40/17/01/388401701.db2.gz RMFPTVINWDXIIV-JTQLQIEISA-N 2 2 238.335 0.656 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@@H]2CCCC[NH2+]2)c[nH+]1 ZINC000646651345 388402625 /nfs/dbraw/zinc/40/26/25/388402625.db2.gz XNVQUTSCQAUXGL-VIFPVBQESA-N 2 2 222.292 0.590 20 0 BCADLP CCOC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397291226 388456971 /nfs/dbraw/zinc/45/69/71/388456971.db2.gz AGBMXYZGWDUJIP-MXWKQRLJSA-N 2 2 228.336 0.855 20 0 BCADLP CCOC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397291226 388456973 /nfs/dbraw/zinc/45/69/73/388456973.db2.gz AGBMXYZGWDUJIP-MXWKQRLJSA-N 2 2 228.336 0.855 20 0 BCADLP CC(C)C[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000336692163 388463632 /nfs/dbraw/zinc/46/36/32/388463632.db2.gz PZTWDELGGVTEJK-QWRGUYRKSA-N 2 2 200.326 0.999 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261538911 135177506 /nfs/dbraw/zinc/17/75/06/135177506.db2.gz ZTJOVSVJCRCSBW-LLVKDONJSA-N 2 2 213.325 0.182 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261538911 135177507 /nfs/dbraw/zinc/17/75/07/135177507.db2.gz ZTJOVSVJCRCSBW-LLVKDONJSA-N 2 2 213.325 0.182 20 0 BCADLP COCC[NH2+]Cc1nc(C2([NH3+])CCCC2)no1 ZINC000576822255 388507175 /nfs/dbraw/zinc/50/71/75/388507175.db2.gz DPSWTCDKROITMZ-UHFFFAOYSA-N 2 2 240.307 0.534 20 0 BCADLP CNC(=O)CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000517038284 256812855 /nfs/dbraw/zinc/81/28/55/256812855.db2.gz SXTUMYDTSSUQCN-JTQLQIEISA-N 2 2 236.319 0.346 20 0 BCADLP CNC(=O)CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000517038284 256812856 /nfs/dbraw/zinc/81/28/56/256812856.db2.gz SXTUMYDTSSUQCN-JTQLQIEISA-N 2 2 236.319 0.346 20 0 BCADLP C/C=C/C=C/C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000087613491 388520854 /nfs/dbraw/zinc/52/08/54/388520854.db2.gz DGJPTZDJALYJEB-XXZAKMSKSA-N 2 2 223.320 0.220 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnnn2C)C1 ZINC000347049075 388522011 /nfs/dbraw/zinc/52/20/11/388522011.db2.gz PRBJUBZWDINLNC-UWVGGRQHSA-N 2 2 223.324 0.374 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnnn2C)C1 ZINC000347049075 388522015 /nfs/dbraw/zinc/52/20/15/388522015.db2.gz PRBJUBZWDINLNC-UWVGGRQHSA-N 2 2 223.324 0.374 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](CO)C1 ZINC000347745883 388524844 /nfs/dbraw/zinc/52/48/44/388524844.db2.gz IXXVMYCXSLTJFA-SNVBAGLBSA-N 2 2 209.293 0.277 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](CO)C1 ZINC000347745883 388524847 /nfs/dbraw/zinc/52/48/47/388524847.db2.gz IXXVMYCXSLTJFA-SNVBAGLBSA-N 2 2 209.293 0.277 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2nc3ncccn3n2)C1 ZINC000517041364 388536226 /nfs/dbraw/zinc/53/62/26/388536226.db2.gz OINMFOCEDXXPCJ-NXEZZACHSA-N 2 2 246.318 0.484 20 0 BCADLP [NH3+]CC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000649306522 388591488 /nfs/dbraw/zinc/59/14/88/388591488.db2.gz XALHIZUMPDHCHC-UHFFFAOYSA-N 2 2 219.288 0.077 20 0 BCADLP C[C@H](CS(C)(=O)=O)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000081900951 388597709 /nfs/dbraw/zinc/59/77/09/388597709.db2.gz ZSUQLLDNXFLCMI-GHMZBOCLSA-N 2 2 248.392 0.351 20 0 BCADLP C[C@H](CS(C)(=O)=O)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000081900951 388597712 /nfs/dbraw/zinc/59/77/12/388597712.db2.gz ZSUQLLDNXFLCMI-GHMZBOCLSA-N 2 2 248.392 0.351 20 0 BCADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1COC[C@H]1O ZINC000550684223 388613673 /nfs/dbraw/zinc/61/36/73/388613673.db2.gz KIDZOAKRHAGKGD-RWMBFGLXSA-N 2 2 242.363 0.552 20 0 BCADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1COC[C@H]1O ZINC000550684223 388613674 /nfs/dbraw/zinc/61/36/74/388613674.db2.gz KIDZOAKRHAGKGD-RWMBFGLXSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@H]1COC[C@H]1O ZINC000550684223 388613677 /nfs/dbraw/zinc/61/36/77/388613677.db2.gz KIDZOAKRHAGKGD-RWMBFGLXSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@H]1COC[C@H]1O ZINC000550684223 388613678 /nfs/dbraw/zinc/61/36/78/388613678.db2.gz KIDZOAKRHAGKGD-RWMBFGLXSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)Cn1cc[nH+]c1 ZINC000649302725 388585166 /nfs/dbraw/zinc/58/51/66/388585166.db2.gz KLRZOVGANSQKCS-WYUUTHIRSA-N 2 2 248.330 0.101 20 0 BCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)Cn1cc[nH+]c1 ZINC000649302773 388585600 /nfs/dbraw/zinc/58/56/00/388585600.db2.gz NTBGMWHEMSMVBR-KKOKHZNYSA-N 2 2 248.330 0.386 20 0 BCADLP CO[C@H]1C[N@H+](Cc2c[nH+]c[nH]2)[C@@](C)(CO)C1 ZINC000630076251 388618730 /nfs/dbraw/zinc/61/87/30/388618730.db2.gz IVHOMPSOKPSVMA-GHMZBOCLSA-N 2 2 225.292 0.381 20 0 BCADLP CO[C@H]1C[N@@H+](Cc2c[nH+]c[nH]2)[C@@](C)(CO)C1 ZINC000630076251 388618731 /nfs/dbraw/zinc/61/87/31/388618731.db2.gz IVHOMPSOKPSVMA-GHMZBOCLSA-N 2 2 225.292 0.381 20 0 BCADLP CCC[NH+]1CCC([NH2+]C2CN(C(C)=O)C2)CC1 ZINC000521643562 388620026 /nfs/dbraw/zinc/62/00/26/388620026.db2.gz HGOJFRXTDVQUJQ-UHFFFAOYSA-N 2 2 239.363 0.681 20 0 BCADLP CCn1ncc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000530214101 388628788 /nfs/dbraw/zinc/62/87/88/388628788.db2.gz XVDQAUCAIUVGBB-BDAKNGLRSA-N 2 2 211.313 0.513 20 0 BCADLP CCn1ncc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)n1 ZINC000530213475 388628803 /nfs/dbraw/zinc/62/88/03/388628803.db2.gz VSZWHTKXSOPKHT-PWSUYJOCSA-N 2 2 237.351 0.776 20 0 BCADLP C[C@@H](CC(=O)N(C)C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154600813 388635193 /nfs/dbraw/zinc/63/51/93/388635193.db2.gz VFVKZJRFPSBWFA-WDEREUQCSA-N 2 2 227.352 0.537 20 0 BCADLP C[C@@H](CC(=O)N(C)C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154600813 388635196 /nfs/dbraw/zinc/63/51/96/388635196.db2.gz VFVKZJRFPSBWFA-WDEREUQCSA-N 2 2 227.352 0.537 20 0 BCADLP CCOC[C@@H]1C[N@H+](CCC[NH2+]C)CCO1 ZINC000530231421 388636818 /nfs/dbraw/zinc/63/68/18/388636818.db2.gz HQQNPJYGVYFFCV-NSHDSACASA-N 2 2 216.325 0.333 20 0 BCADLP CCOC[C@@H]1C[N@@H+](CCC[NH2+]C)CCO1 ZINC000530231421 388636820 /nfs/dbraw/zinc/63/68/20/388636820.db2.gz HQQNPJYGVYFFCV-NSHDSACASA-N 2 2 216.325 0.333 20 0 BCADLP CC[N@@H+](C)CCNC(=O)NCCn1cc[nH+]c1 ZINC000194834716 388744663 /nfs/dbraw/zinc/74/46/63/388744663.db2.gz DAHISTOQNYAXKI-UHFFFAOYSA-N 2 2 239.323 0.134 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H]1CCOC[C@H]1C ZINC000249094299 388708330 /nfs/dbraw/zinc/70/83/30/388708330.db2.gz LKEPTKZGRUTDAV-NEPJUHHUSA-N 2 2 230.352 0.315 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CCOC[C@H]1C ZINC000249094299 388708333 /nfs/dbraw/zinc/70/83/33/388708333.db2.gz LKEPTKZGRUTDAV-NEPJUHHUSA-N 2 2 230.352 0.315 20 0 BCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[NH+](C)CC1 ZINC000572539891 388792904 /nfs/dbraw/zinc/79/29/04/388792904.db2.gz OSXSQCVWAWEUQS-SNVBAGLBSA-N 2 2 236.319 0.362 20 0 BCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[NH+](C)CC1 ZINC000572539891 388792908 /nfs/dbraw/zinc/79/29/08/388792908.db2.gz OSXSQCVWAWEUQS-SNVBAGLBSA-N 2 2 236.319 0.362 20 0 BCADLP COc1cc[nH+]cc1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000554366805 388812416 /nfs/dbraw/zinc/81/24/16/388812416.db2.gz JKERRUOBYLPZFA-JTQLQIEISA-N 2 2 249.314 0.658 20 0 BCADLP COc1cc[nH+]cc1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000554366805 388812420 /nfs/dbraw/zinc/81/24/20/388812420.db2.gz JKERRUOBYLPZFA-JTQLQIEISA-N 2 2 249.314 0.658 20 0 BCADLP CCn1cc[nH+]c1CNC[C@](C)(O)C[NH+](C)C ZINC000228722358 388819970 /nfs/dbraw/zinc/81/99/70/388819970.db2.gz CKYYVRKSSOWEOO-LBPRGKRZSA-N 2 2 240.351 0.305 20 0 BCADLP COCCCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000555669736 388858851 /nfs/dbraw/zinc/85/88/51/388858851.db2.gz SLUAYDKMCFLWEK-UHFFFAOYSA-N 2 2 238.335 0.958 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H](C[NH3+])C2CC2)c[nH+]1 ZINC000564945185 388900300 /nfs/dbraw/zinc/90/03/00/388900300.db2.gz UNNCLTNIDKXMDG-QMMMGPOBSA-N 2 2 208.265 0.185 20 0 BCADLP C[C@H](CC(=O)NCCC[NH3+])n1cc[nH+]c1 ZINC000565148838 388917127 /nfs/dbraw/zinc/91/71/27/388917127.db2.gz XCAHUNWWTROMSZ-SECBINFHSA-N 2 2 210.281 0.299 20 0 BCADLP C[C@H](CC(=O)NC[C@H]1CCC[NH2+]1)n1cc[nH+]c1 ZINC000565147860 388917664 /nfs/dbraw/zinc/91/76/64/388917664.db2.gz OSLDUPFBOSYSDM-GHMZBOCLSA-N 2 2 236.319 0.702 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC2(C1)CCOCC2 ZINC000565224677 388928056 /nfs/dbraw/zinc/92/80/56/388928056.db2.gz MJYLHVRZJZAGHS-GFCCVEGCSA-N 2 2 242.363 0.411 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC2(C1)CCOCC2 ZINC000565224677 388928058 /nfs/dbraw/zinc/92/80/58/388928058.db2.gz MJYLHVRZJZAGHS-GFCCVEGCSA-N 2 2 242.363 0.411 20 0 BCADLP C[NH2+]CCCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000565251566 388931947 /nfs/dbraw/zinc/93/19/47/388931947.db2.gz XVIKQWIIPOTLJX-UHFFFAOYSA-N 2 2 225.296 0.161 20 0 BCADLP C[NH2+]CCCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000565251566 388931945 /nfs/dbraw/zinc/93/19/45/388931945.db2.gz XVIKQWIIPOTLJX-UHFFFAOYSA-N 2 2 225.296 0.161 20 0 BCADLP CC[C@H]([NH2+]Cc1c[nH+]c(C)n1C)[C@H](C)O ZINC000565314863 388937866 /nfs/dbraw/zinc/93/78/66/388937866.db2.gz NMRYRBCEHXIWMY-KWQFWETISA-N 2 2 211.309 0.978 20 0 BCADLP Cc1c[nH]cc1C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000565363489 388939220 /nfs/dbraw/zinc/93/92/20/388939220.db2.gz YDRZCJJAMDFNNL-JTQLQIEISA-N 2 2 236.319 0.038 20 0 BCADLP Cc1c[nH]cc1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000565363489 388939224 /nfs/dbraw/zinc/93/92/24/388939224.db2.gz YDRZCJJAMDFNNL-JTQLQIEISA-N 2 2 236.319 0.038 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCNC(=O)C2CC2)n1C ZINC000565372681 388940040 /nfs/dbraw/zinc/94/00/40/388940040.db2.gz MVAUPQVZWJBUPA-UHFFFAOYSA-N 2 2 236.319 0.344 20 0 BCADLP C[C@H](CC(=O)N1CC[NH2+]C[C@@H]1C)n1cc[nH+]c1 ZINC000565956572 388980986 /nfs/dbraw/zinc/98/09/86/388980986.db2.gz ARLHANYFGJVNGA-MNOVXSKESA-N 2 2 236.319 0.655 20 0 BCADLP CSC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000566117307 388988998 /nfs/dbraw/zinc/98/89/98/388988998.db2.gz QLTUCESWQXHMCE-ZJUUUORDSA-N 2 2 218.366 0.394 20 0 BCADLP CSC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000566117307 388989000 /nfs/dbraw/zinc/98/90/00/388989000.db2.gz QLTUCESWQXHMCE-ZJUUUORDSA-N 2 2 218.366 0.394 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C1([NH3+])CCCCC1 ZINC000269277148 389008318 /nfs/dbraw/zinc/00/83/18/389008318.db2.gz XRQMYTWMRFFJPV-UHFFFAOYSA-N 2 2 236.319 0.996 20 0 BCADLP Cc1nc(N2CCC(C[NH3+])CC2)cc[nH+]1 ZINC000054936830 132365026 /nfs/dbraw/zinc/36/50/26/132365026.db2.gz FNHJKPBCGZWWKK-UHFFFAOYSA-N 2 2 206.293 0.960 20 0 BCADLP C[C@@H](CC[NH+](C)C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493486297 533569091 /nfs/dbraw/zinc/56/90/91/533569091.db2.gz NBYFXXUABCCCFP-YEZKRMTDSA-N 2 2 236.319 0.879 20 0 BCADLP Cc1cc[nH+]c(N2CC[NH+](CCCO)CC2)c1 ZINC000268846051 132193644 /nfs/dbraw/zinc/19/36/44/132193644.db2.gz AOVIQNBOEVFVOE-UHFFFAOYSA-N 2 2 235.331 0.894 20 0 BCADLP C[NH+]1CCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000335989984 134039830 /nfs/dbraw/zinc/03/98/30/134039830.db2.gz RWMBJENFKFHCLN-SECBINFHSA-N 2 2 247.289 0.005 20 0 BCADLP C[C@H]1CN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)CC[NH2+]1 ZINC000335990403 134040317 /nfs/dbraw/zinc/04/03/17/134040317.db2.gz DRAWPVDABAIHIL-IUCAKERBSA-N 2 2 247.289 0.052 20 0 BCADLP Cn1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000336005036 134048623 /nfs/dbraw/zinc/04/86/23/134048623.db2.gz FLWSEPMXYVONGF-JTQLQIEISA-N 2 2 231.303 0.790 20 0 BCADLP Cn1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cn1 ZINC000336005036 134048624 /nfs/dbraw/zinc/04/86/24/134048624.db2.gz FLWSEPMXYVONGF-JTQLQIEISA-N 2 2 231.303 0.790 20 0 BCADLP CN(C)C(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000336008280 134049934 /nfs/dbraw/zinc/04/99/34/134049934.db2.gz LIJDWOMIVAHWGJ-UHFFFAOYSA-N 2 2 236.319 0.677 20 0 BCADLP CN(C)C(=O)C[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000336008280 134049935 /nfs/dbraw/zinc/04/99/35/134049935.db2.gz LIJDWOMIVAHWGJ-UHFFFAOYSA-N 2 2 236.319 0.677 20 0 BCADLP CNC(=O)c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000336111733 134086990 /nfs/dbraw/zinc/08/69/90/134086990.db2.gz LFMXEYCRANXQQJ-UHFFFAOYSA-N 2 2 247.342 0.969 20 0 BCADLP c1cn(CCC[N@@H+]2CCn3ncnc3C2)c[nH+]1 ZINC000352278540 134129188 /nfs/dbraw/zinc/12/91/88/134129188.db2.gz CAZLBFIXBCJOEL-UHFFFAOYSA-N 2 2 232.291 0.381 20 0 BCADLP c1cn(CCC[N@H+]2CCn3ncnc3C2)c[nH+]1 ZINC000352278540 134129189 /nfs/dbraw/zinc/12/91/89/134129189.db2.gz CAZLBFIXBCJOEL-UHFFFAOYSA-N 2 2 232.291 0.381 20 0 BCADLP C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000336212061 134134745 /nfs/dbraw/zinc/13/47/45/134134745.db2.gz FHCJAFXJFAHZOZ-IUCAKERBSA-N 2 2 232.287 0.800 20 0 BCADLP Cc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c(=O)n1C ZINC000336215206 134136187 /nfs/dbraw/zinc/13/61/87/134136187.db2.gz GCDVVVNERSQFKR-ZWNOBZJWSA-N 2 2 249.358 0.733 20 0 BCADLP Cc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c(=O)n1C ZINC000336215206 134136188 /nfs/dbraw/zinc/13/61/88/134136188.db2.gz GCDVVVNERSQFKR-ZWNOBZJWSA-N 2 2 249.358 0.733 20 0 BCADLP C[C@@H]1CC[N@H+](CC(=O)NCC2CC2)C[C@@H]1C[NH3+] ZINC000167766439 134153870 /nfs/dbraw/zinc/15/38/70/134153870.db2.gz MVJLHENFASHNCA-PWSUYJOCSA-N 2 2 239.363 0.429 20 0 BCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C[C@@H]1C[NH3+] ZINC000167766439 134153871 /nfs/dbraw/zinc/15/38/71/134153871.db2.gz MVJLHENFASHNCA-PWSUYJOCSA-N 2 2 239.363 0.429 20 0 BCADLP CCn1c[nH+]cc1CNCC[N@H+](C)CC ZINC000085183943 134225112 /nfs/dbraw/zinc/22/51/12/134225112.db2.gz JSSMHXSCUDQUBR-UHFFFAOYSA-N 2 2 210.325 0.944 20 0 BCADLP CCn1c[nH+]cc1CNCC[N@@H+](C)CC ZINC000085183943 134225113 /nfs/dbraw/zinc/22/51/13/134225113.db2.gz JSSMHXSCUDQUBR-UHFFFAOYSA-N 2 2 210.325 0.944 20 0 BCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCC)C1 ZINC000177035878 134293927 /nfs/dbraw/zinc/29/39/27/134293927.db2.gz DWOSIIZFGJBCHC-LBPRGKRZSA-N 2 2 241.379 0.786 20 0 BCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCC)C1 ZINC000177035878 134293928 /nfs/dbraw/zinc/29/39/28/134293928.db2.gz DWOSIIZFGJBCHC-LBPRGKRZSA-N 2 2 241.379 0.786 20 0 BCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCC)C1 ZINC000177035878 134293929 /nfs/dbraw/zinc/29/39/29/134293929.db2.gz DWOSIIZFGJBCHC-LBPRGKRZSA-N 2 2 241.379 0.786 20 0 BCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCC)C1 ZINC000177035878 134293930 /nfs/dbraw/zinc/29/39/30/134293930.db2.gz DWOSIIZFGJBCHC-LBPRGKRZSA-N 2 2 241.379 0.786 20 0 BCADLP c1cn(CCN2CC[N@@H+]3CCC[C@@H]3C2)c[nH+]1 ZINC000179245132 134318587 /nfs/dbraw/zinc/31/85/87/134318587.db2.gz AJEGMROLBUDOLW-GFCCVEGCSA-N 2 2 220.320 0.663 20 0 BCADLP c1cn(CCN2CC[N@H+]3CCC[C@@H]3C2)c[nH+]1 ZINC000179245132 134318588 /nfs/dbraw/zinc/31/85/88/134318588.db2.gz AJEGMROLBUDOLW-GFCCVEGCSA-N 2 2 220.320 0.663 20 0 BCADLP CO[C@H](C)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000182190984 134342762 /nfs/dbraw/zinc/34/27/62/134342762.db2.gz RIWBTNSTGKOQGJ-CHWSQXEVSA-N 2 2 242.363 0.675 20 0 BCADLP CO[C@H](C)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000182190984 134342763 /nfs/dbraw/zinc/34/27/63/134342763.db2.gz RIWBTNSTGKOQGJ-CHWSQXEVSA-N 2 2 242.363 0.675 20 0 BCADLP CCN(C)C(=O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226873590 134371562 /nfs/dbraw/zinc/37/15/62/134371562.db2.gz VNHWARYJPWMUGC-QWRGUYRKSA-N 2 2 227.352 0.537 20 0 BCADLP CCN(C)C(=O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226873590 134371563 /nfs/dbraw/zinc/37/15/63/134371563.db2.gz VNHWARYJPWMUGC-QWRGUYRKSA-N 2 2 227.352 0.537 20 0 BCADLP C[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248648220 135018858 /nfs/dbraw/zinc/01/88/58/135018858.db2.gz JMDSIZJXUIUTIR-RYUDHWBXSA-N 2 2 228.336 0.021 20 0 BCADLP C[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248648220 135018860 /nfs/dbraw/zinc/01/88/60/135018860.db2.gz JMDSIZJXUIUTIR-RYUDHWBXSA-N 2 2 228.336 0.021 20 0 BCADLP C[C@H]1C(=O)NCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000249103545 135033227 /nfs/dbraw/zinc/03/32/27/135033227.db2.gz WQVYGUZFBZJWHD-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@H]1C(=O)NCCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000249103545 135033228 /nfs/dbraw/zinc/03/32/28/135033228.db2.gz WQVYGUZFBZJWHD-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@H]1C(=O)NCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000249103545 135033229 /nfs/dbraw/zinc/03/32/29/135033229.db2.gz WQVYGUZFBZJWHD-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@H]1C(=O)NCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000249103545 135033230 /nfs/dbraw/zinc/03/32/30/135033230.db2.gz WQVYGUZFBZJWHD-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP O[C@@H]1[C@H]2C[C@H]3C[N@H+](CCCn4cc[nH+]c4)[C@H]1[C@H]3C2 ZINC000249613804 135042327 /nfs/dbraw/zinc/04/23/27/135042327.db2.gz SLOHFNBDAHBUJO-HTVCTNPSSA-N 2 2 247.342 0.974 20 0 BCADLP O[C@@H]1[C@H]2C[C@H]3C[N@@H+](CCCn4cc[nH+]c4)[C@H]1[C@H]3C2 ZINC000249613804 135042328 /nfs/dbraw/zinc/04/23/28/135042328.db2.gz SLOHFNBDAHBUJO-HTVCTNPSSA-N 2 2 247.342 0.974 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072857992 135043738 /nfs/dbraw/zinc/04/37/38/135043738.db2.gz FERPPJFXCBMLNK-GHMZBOCLSA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072857992 135043740 /nfs/dbraw/zinc/04/37/40/135043740.db2.gz FERPPJFXCBMLNK-GHMZBOCLSA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000072857992 135043742 /nfs/dbraw/zinc/04/37/42/135043742.db2.gz FERPPJFXCBMLNK-GHMZBOCLSA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000072857992 135043744 /nfs/dbraw/zinc/04/37/44/135043744.db2.gz FERPPJFXCBMLNK-GHMZBOCLSA-N 2 2 227.352 0.524 20 0 BCADLP C[C@H]1C[N@H+](CCCn2cc[nH+]c2)CC[C@H]1O ZINC000251851149 135079470 /nfs/dbraw/zinc/07/94/70/135079470.db2.gz TUSJHCOMCVGYIA-NWDGAFQWSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CC[C@H]1O ZINC000251851149 135079472 /nfs/dbraw/zinc/07/94/72/135079472.db2.gz TUSJHCOMCVGYIA-NWDGAFQWSA-N 2 2 223.320 0.976 20 0 BCADLP COCC[N@@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000252777007 135108467 /nfs/dbraw/zinc/10/84/67/135108467.db2.gz PWCHZPWUDKJGNK-VHSXEESVSA-N 2 2 202.298 0.071 20 0 BCADLP COCC[N@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000252777007 135108469 /nfs/dbraw/zinc/10/84/69/135108469.db2.gz PWCHZPWUDKJGNK-VHSXEESVSA-N 2 2 202.298 0.071 20 0 BCADLP C[N@H+]1C[C@@H]2C[NH+](C[C@]3(C)CC[NH2+]C3)C[C@@H]2C1 ZINC000261772781 135110869 /nfs/dbraw/zinc/11/08/69/135110869.db2.gz MUJLZBHHEFWKMM-FRRDWIJNSA-N 3 2 223.364 0.479 20 0 BCADLP C[N@@H+]1C[C@@H]2C[NH+](C[C@]3(C)CC[NH2+]C3)C[C@@H]2C1 ZINC000261772781 135110872 /nfs/dbraw/zinc/11/08/72/135110872.db2.gz MUJLZBHHEFWKMM-FRRDWIJNSA-N 3 2 223.364 0.479 20 0 BCADLP C[NH+]1C[C@@H]2C[N@@H+](C[C@]3(C)CC[NH2+]C3)C[C@@H]2C1 ZINC000261772781 135110873 /nfs/dbraw/zinc/11/08/73/135110873.db2.gz MUJLZBHHEFWKMM-FRRDWIJNSA-N 3 2 223.364 0.479 20 0 BCADLP C[NH+]1C[C@@H]2C[N@H+](C[C@]3(C)CC[NH2+]C3)C[C@@H]2C1 ZINC000261772781 135110876 /nfs/dbraw/zinc/11/08/76/135110876.db2.gz MUJLZBHHEFWKMM-FRRDWIJNSA-N 3 2 223.364 0.479 20 0 BCADLP O[C@@H]1CC[C@@H]2C[N@H+](CCn3cc[nH+]c3)C[C@H]12 ZINC000252841123 135112864 /nfs/dbraw/zinc/11/28/64/135112864.db2.gz AJVJCGCVTHIMMM-GRYCIOLGSA-N 2 2 221.304 0.586 20 0 BCADLP O[C@@H]1CC[C@@H]2C[N@@H+](CCn3cc[nH+]c3)C[C@H]12 ZINC000252841123 135112865 /nfs/dbraw/zinc/11/28/65/135112865.db2.gz AJVJCGCVTHIMMM-GRYCIOLGSA-N 2 2 221.304 0.586 20 0 BCADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000252961119 135117328 /nfs/dbraw/zinc/11/73/28/135117328.db2.gz NYWPMZZRILMBFW-AGIUHOORSA-N 3 2 243.395 0.683 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1C[C@@H]1C ZINC000252950914 135117422 /nfs/dbraw/zinc/11/74/22/135117422.db2.gz DJPOVVUHYVMXHX-IRCOFANPSA-N 2 2 212.337 0.999 20 0 BCADLP Cn1nncc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253183100 135123266 /nfs/dbraw/zinc/12/32/66/135123266.db2.gz GGHIHXTVYCXYAQ-MNOVXSKESA-N 2 2 235.335 0.532 20 0 BCADLP Cn1nncc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253183100 135123268 /nfs/dbraw/zinc/12/32/68/135123268.db2.gz GGHIHXTVYCXYAQ-MNOVXSKESA-N 2 2 235.335 0.532 20 0 BCADLP CCn1ncnc1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000253213085 135124884 /nfs/dbraw/zinc/12/48/84/135124884.db2.gz BWJIRUUGZIJAEU-MNOVXSKESA-N 2 2 237.351 0.728 20 0 BCADLP CCn1ncnc1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000253213085 135124885 /nfs/dbraw/zinc/12/48/85/135124885.db2.gz BWJIRUUGZIJAEU-MNOVXSKESA-N 2 2 237.351 0.728 20 0 BCADLP Cc1[nH]ncc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000261545706 135150425 /nfs/dbraw/zinc/15/04/25/135150425.db2.gz KERXZRKXILKGAW-SCZZXKLOSA-N 2 2 208.309 0.887 20 0 BCADLP Cc1[nH]ncc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000261545706 135150426 /nfs/dbraw/zinc/15/04/26/135150426.db2.gz KERXZRKXILKGAW-SCZZXKLOSA-N 2 2 208.309 0.887 20 0 BCADLP Cc1ccc(O)c(C[N@@H+]2CC[C@H]([NH3+])C2)n1 ZINC000261527346 135151205 /nfs/dbraw/zinc/15/12/05/135151205.db2.gz YYLRWHOUYMOLJK-VIFPVBQESA-N 2 2 207.277 0.629 20 0 BCADLP Cc1ccc(O)c(C[N@H+]2CC[C@H]([NH3+])C2)n1 ZINC000261527346 135151206 /nfs/dbraw/zinc/15/12/06/135151206.db2.gz YYLRWHOUYMOLJK-VIFPVBQESA-N 2 2 207.277 0.629 20 0 BCADLP CCC[NH2+][C@@H](C)C(=O)N1CC[NH+](C)CC1 ZINC000261536134 135171141 /nfs/dbraw/zinc/17/11/41/135171141.db2.gz QMXWOQFABGZSCK-JTQLQIEISA-N 2 2 213.325 0.149 20 0 BCADLP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)nn1 ZINC000261542251 135182778 /nfs/dbraw/zinc/18/27/78/135182778.db2.gz OHGGIJDQUWHWBL-WCQGTBRESA-N 2 2 235.335 0.374 20 0 BCADLP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)nn1 ZINC000261542251 135182779 /nfs/dbraw/zinc/18/27/79/135182779.db2.gz OHGGIJDQUWHWBL-WCQGTBRESA-N 2 2 235.335 0.374 20 0 BCADLP CN(C(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)C1CC1 ZINC000261548893 135187317 /nfs/dbraw/zinc/18/73/17/135187317.db2.gz JYAKGNFFLIHRLE-ZYHUDNBSSA-N 2 2 237.347 0.291 20 0 BCADLP CN(C(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)C1CC1 ZINC000261548893 135187318 /nfs/dbraw/zinc/18/73/18/135187318.db2.gz JYAKGNFFLIHRLE-ZYHUDNBSSA-N 2 2 237.347 0.291 20 0 BCADLP CN(C(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)C1CC1 ZINC000261548889 135187834 /nfs/dbraw/zinc/18/78/34/135187834.db2.gz JYAKGNFFLIHRLE-JQWIXIFHSA-N 2 2 237.347 0.291 20 0 BCADLP CN(C(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)C1CC1 ZINC000261548889 135187835 /nfs/dbraw/zinc/18/78/35/135187835.db2.gz JYAKGNFFLIHRLE-JQWIXIFHSA-N 2 2 237.347 0.291 20 0 BCADLP CC(C)[C@@](C)(O)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000261551588 135190658 /nfs/dbraw/zinc/19/06/58/135190658.db2.gz MHOJYVCOHYAFMT-AGIUHOORSA-N 2 2 244.379 0.750 20 0 BCADLP CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261555209 135194886 /nfs/dbraw/zinc/19/48/86/135194886.db2.gz PLUGSJQMMAYAQB-GHMZBOCLSA-N 2 2 239.363 0.442 20 0 BCADLP CC(C)(C)NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261555209 135194888 /nfs/dbraw/zinc/19/48/88/135194888.db2.gz PLUGSJQMMAYAQB-GHMZBOCLSA-N 2 2 239.363 0.442 20 0 BCADLP C(C[NH+]1CCOCC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261557490 135198107 /nfs/dbraw/zinc/19/81/07/135198107.db2.gz RUPHYQVPZBSGBV-CHWSQXEVSA-N 2 2 239.363 0.002 20 0 BCADLP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCOCC1 ZINC000261557490 135198108 /nfs/dbraw/zinc/19/81/08/135198108.db2.gz RUPHYQVPZBSGBV-CHWSQXEVSA-N 2 2 239.363 0.002 20 0 BCADLP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCOCC1 ZINC000261557490 135198109 /nfs/dbraw/zinc/19/81/09/135198109.db2.gz RUPHYQVPZBSGBV-CHWSQXEVSA-N 2 2 239.363 0.002 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261558726 135199596 /nfs/dbraw/zinc/19/95/96/135199596.db2.gz DGWDZMICDXTOTL-CYBMUJFWSA-N 2 2 248.330 0.485 20 0 BCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261558874 135199885 /nfs/dbraw/zinc/19/98/85/135199885.db2.gz SVJFAOCALNCERY-DGCLKSJQSA-N 2 2 239.363 0.587 20 0 BCADLP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261558874 135199887 /nfs/dbraw/zinc/19/98/87/135199887.db2.gz SVJFAOCALNCERY-DGCLKSJQSA-N 2 2 239.363 0.587 20 0 BCADLP CC(C)(C)NC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261563355 135205061 /nfs/dbraw/zinc/20/50/61/135205061.db2.gz WZDJQVFGBWJUQA-WDEREUQCSA-N 2 2 239.363 0.585 20 0 BCADLP CC(C)(C)NC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261563355 135205063 /nfs/dbraw/zinc/20/50/63/135205063.db2.gz WZDJQVFGBWJUQA-WDEREUQCSA-N 2 2 239.363 0.585 20 0 BCADLP CC1(C)C[N@H+](CCn2cc[nH+]c2)C[C@@H](CO)O1 ZINC000163846898 135208356 /nfs/dbraw/zinc/20/83/56/135208356.db2.gz PSUZJTLLFMJKIB-NSHDSACASA-N 2 2 239.319 0.355 20 0 BCADLP CC1(C)C[N@@H+](CCn2cc[nH+]c2)C[C@@H](CO)O1 ZINC000163846898 135208358 /nfs/dbraw/zinc/20/83/58/135208358.db2.gz PSUZJTLLFMJKIB-NSHDSACASA-N 2 2 239.319 0.355 20 0 BCADLP CC(C)(C)NC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261576947 135218339 /nfs/dbraw/zinc/21/83/39/135218339.db2.gz KRTCLNAZLWGILR-GFCCVEGCSA-N 2 2 227.352 0.572 20 0 BCADLP CC(C)(C)NC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261576947 135218341 /nfs/dbraw/zinc/21/83/41/135218341.db2.gz KRTCLNAZLWGILR-GFCCVEGCSA-N 2 2 227.352 0.572 20 0 BCADLP COC[C@]1(C(=O)Nc2cc[nH+]c(C)c2)CC[NH2+]C1 ZINC000261579030 135219639 /nfs/dbraw/zinc/21/96/39/135219639.db2.gz PIUUBIUDCFQNNP-ZDUSSCGKSA-N 2 2 249.314 0.955 20 0 BCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000261585499 135226908 /nfs/dbraw/zinc/22/69/08/135226908.db2.gz QMKYGYDIQQJDEN-VIFPVBQESA-N 2 2 213.325 0.276 20 0 BCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)(C)[NH3+] ZINC000261585499 135226909 /nfs/dbraw/zinc/22/69/09/135226909.db2.gz QMKYGYDIQQJDEN-VIFPVBQESA-N 2 2 213.325 0.276 20 0 BCADLP CC(C)C(=O)NC[C@@H]1CCC[N@H+](CC[NH3+])C1 ZINC000261588602 135229215 /nfs/dbraw/zinc/22/92/15/135229215.db2.gz SLMHBOWLHRLBBU-NSHDSACASA-N 2 2 227.352 0.429 20 0 BCADLP CC(C)C(=O)NC[C@@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000261588602 135229216 /nfs/dbraw/zinc/22/92/16/135229216.db2.gz SLMHBOWLHRLBBU-NSHDSACASA-N 2 2 227.352 0.429 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261589985 135231331 /nfs/dbraw/zinc/23/13/31/135231331.db2.gz UGYOBFXBCPOQBK-MNOVXSKESA-N 2 2 225.336 0.196 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261589985 135231333 /nfs/dbraw/zinc/23/13/33/135231333.db2.gz UGYOBFXBCPOQBK-MNOVXSKESA-N 2 2 225.336 0.196 20 0 BCADLP Cn1cnnc1[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261591673 135232291 /nfs/dbraw/zinc/23/22/91/135232291.db2.gz XZJFOCFYHPBHDS-VXGBXAGGSA-N 2 2 249.362 0.952 20 0 BCADLP Cn1cnnc1[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261591673 135232292 /nfs/dbraw/zinc/23/22/92/135232292.db2.gz XZJFOCFYHPBHDS-VXGBXAGGSA-N 2 2 249.362 0.952 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000261592630 135232728 /nfs/dbraw/zinc/23/27/28/135232728.db2.gz VYVIGNFRFCDYIT-VHSXEESVSA-N 2 2 230.377 0.930 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000261592630 135232729 /nfs/dbraw/zinc/23/27/29/135232729.db2.gz VYVIGNFRFCDYIT-VHSXEESVSA-N 2 2 230.377 0.930 20 0 BCADLP O=C([C@@H]1CCC[NH2+]1)N1CCC(n2cc[nH+]c2)CC1 ZINC000261611109 135237805 /nfs/dbraw/zinc/23/78/05/135237805.db2.gz CBBDKEXPSBWMMA-LBPRGKRZSA-N 2 2 248.330 0.799 20 0 BCADLP Cc1nn(C)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261546265 135238406 /nfs/dbraw/zinc/23/84/06/135238406.db2.gz GUGUUWQEVNWYKU-WCQYABFASA-N 2 2 234.347 0.912 20 0 BCADLP Cc1nn(C)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261546265 135238408 /nfs/dbraw/zinc/23/84/08/135238408.db2.gz GUGUUWQEVNWYKU-WCQYABFASA-N 2 2 234.347 0.912 20 0 BCADLP Cc1cnc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000261618312 135244366 /nfs/dbraw/zinc/24/43/66/135244366.db2.gz CZAMMWNAOZLLDJ-LBPRGKRZSA-N 2 2 220.320 0.956 20 0 BCADLP Cc1cnc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000261618312 135244367 /nfs/dbraw/zinc/24/43/67/135244367.db2.gz CZAMMWNAOZLLDJ-LBPRGKRZSA-N 2 2 220.320 0.956 20 0 BCADLP C[C@@H]([NH3+])CC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000261677118 135245282 /nfs/dbraw/zinc/24/52/82/135245282.db2.gz BDIZRNGLQCCFJF-SNVBAGLBSA-N 2 2 246.314 0.730 20 0 BCADLP C[C@H]([NH3+])CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000261719759 135247735 /nfs/dbraw/zinc/24/77/35/135247735.db2.gz GUSAJNBJCUSHNI-UWVGGRQHSA-N 2 2 236.319 0.853 20 0 BCADLP C[C@@H]([NH3+])CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000261854069 135263604 /nfs/dbraw/zinc/26/36/04/135263604.db2.gz NOMCQWKWPIRRHG-SECBINFHSA-N 2 2 232.287 0.688 20 0 BCADLP CC(C)(C)n1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)nn1 ZINC000261949690 135265027 /nfs/dbraw/zinc/26/50/27/135265027.db2.gz NSAIHFFIDMSSBP-SNVBAGLBSA-N 2 2 237.351 0.814 20 0 BCADLP CC(C)(C)n1cc(C[N@H+]2CC[C@H](C[NH3+])C2)nn1 ZINC000261949690 135265028 /nfs/dbraw/zinc/26/50/28/135265028.db2.gz NSAIHFFIDMSSBP-SNVBAGLBSA-N 2 2 237.351 0.814 20 0 BCADLP CCN1CC[N@H+](C[C@H]2CCC[NH2+]C2)[C@@H](C)C1=O ZINC000261986928 135269793 /nfs/dbraw/zinc/26/97/93/135269793.db2.gz RZEJLASCEXONBU-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP CCN1CC[N@@H+](C[C@H]2CCC[NH2+]C2)[C@@H](C)C1=O ZINC000261986928 135269794 /nfs/dbraw/zinc/26/97/94/135269794.db2.gz RZEJLASCEXONBU-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP [NH3+]CC[N@H+](CCO)CCOc1cccc(F)c1 ZINC000342390471 135270062 /nfs/dbraw/zinc/27/00/62/135270062.db2.gz PQPIRZDFOOXLCQ-UHFFFAOYSA-N 2 2 242.294 0.458 20 0 BCADLP [NH3+]CC[N@@H+](CCO)CCOc1cccc(F)c1 ZINC000342390471 135270063 /nfs/dbraw/zinc/27/00/63/135270063.db2.gz PQPIRZDFOOXLCQ-UHFFFAOYSA-N 2 2 242.294 0.458 20 0 BCADLP C[C@@]1(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)CC[NH2+]C1 ZINC000262009233 135272107 /nfs/dbraw/zinc/27/21/07/135272107.db2.gz MDGMWHLLOOBZRD-WCQYABFASA-N 2 2 237.347 0.293 20 0 BCADLP C[C@@]1(C[N@H+]2CCN3C(=O)CC[C@H]3C2)CC[NH2+]C1 ZINC000262009233 135272108 /nfs/dbraw/zinc/27/21/08/135272108.db2.gz MDGMWHLLOOBZRD-WCQYABFASA-N 2 2 237.347 0.293 20 0 BCADLP CC[C@H]1C(=O)NCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262084067 135277366 /nfs/dbraw/zinc/27/73/66/135277366.db2.gz UCRZCKZBLDQEDZ-CMPLNLGQSA-N 2 2 225.336 0.196 20 0 BCADLP CC[C@H]1C(=O)NCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262084067 135277368 /nfs/dbraw/zinc/27/73/68/135277368.db2.gz UCRZCKZBLDQEDZ-CMPLNLGQSA-N 2 2 225.336 0.196 20 0 BCADLP C[NH2+]CCC(=O)NCc1ccc[nH+]c1N(C)C ZINC000262412902 135295547 /nfs/dbraw/zinc/29/55/47/135295547.db2.gz QUPWKOUFGSQUOZ-UHFFFAOYSA-N 2 2 236.319 0.373 20 0 BCADLP C[C@H](C[NH3+])C(=O)NCc1ccc[nH+]c1N(C)C ZINC000262358952 135295626 /nfs/dbraw/zinc/29/56/26/135295626.db2.gz KBKCTMJNCBRBEX-SECBINFHSA-N 2 2 236.319 0.359 20 0 BCADLP [NH3+]CC[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000262985824 135326055 /nfs/dbraw/zinc/32/60/55/135326055.db2.gz NCXTZZGPBDPIQN-UHFFFAOYSA-N 2 2 239.363 0.670 20 0 BCADLP C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000334275601 135332600 /nfs/dbraw/zinc/33/26/00/135332600.db2.gz MUKAJZFLDDKSGZ-WPRPVWTQSA-N 2 2 247.289 0.181 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334284696 135339315 /nfs/dbraw/zinc/33/93/15/135339315.db2.gz GCJQMNNQBZZGLQ-ZDUSSCGKSA-N 2 2 239.363 0.492 20 0 BCADLP CN(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334284696 135339316 /nfs/dbraw/zinc/33/93/16/135339316.db2.gz GCJQMNNQBZZGLQ-ZDUSSCGKSA-N 2 2 239.363 0.492 20 0 BCADLP CN(C)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334284696 135339318 /nfs/dbraw/zinc/33/93/18/135339318.db2.gz GCJQMNNQBZZGLQ-ZDUSSCGKSA-N 2 2 239.363 0.492 20 0 BCADLP CN(C)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000334284696 135339319 /nfs/dbraw/zinc/33/93/19/135339319.db2.gz GCJQMNNQBZZGLQ-ZDUSSCGKSA-N 2 2 239.363 0.492 20 0 BCADLP Cc1cc(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc[nH+]1 ZINC000334287688 135340254 /nfs/dbraw/zinc/34/02/54/135340254.db2.gz YDICBFHVCKGLIF-DGCLKSJQSA-N 2 2 231.299 0.750 20 0 BCADLP CC[N@H+](C)CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263317202 135346499 /nfs/dbraw/zinc/34/64/99/135346499.db2.gz ZQTYMGKLOGIAFL-MRVPVSSYSA-N 2 2 235.278 0.052 20 0 BCADLP CC[N@@H+](C)CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263317202 135346501 /nfs/dbraw/zinc/34/65/01/135346501.db2.gz ZQTYMGKLOGIAFL-MRVPVSSYSA-N 2 2 235.278 0.052 20 0 BCADLP C[C@@H]1CN(C(=O)C[NH+](C)C)C[C@H](C)[N@H+]1C ZINC000334374358 135377171 /nfs/dbraw/zinc/37/71/71/135377171.db2.gz UGBQBMPHKJRCNK-AOOOYVTPSA-N 2 2 213.325 0.099 20 0 BCADLP C[C@@H]1CN(C(=O)C[NH+](C)C)C[C@H](C)[N@@H+]1C ZINC000334374358 135377172 /nfs/dbraw/zinc/37/71/72/135377172.db2.gz UGBQBMPHKJRCNK-AOOOYVTPSA-N 2 2 213.325 0.099 20 0 BCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1CCCCC[NH2+]1 ZINC000080998900 135385382 /nfs/dbraw/zinc/38/53/82/135385382.db2.gz CPGMISOEPHCHMA-NSHDSACASA-N 2 2 236.319 0.532 20 0 BCADLP O=C(NCCn1cc[nH+]c1)[C@H]1CCCCC[NH2+]1 ZINC000080998902 135385880 /nfs/dbraw/zinc/38/58/80/135385880.db2.gz CPGMISOEPHCHMA-LLVKDONJSA-N 2 2 236.319 0.532 20 0 BCADLP [NH3+][C@@H]1C[C@@H]1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000335284156 136001513 /nfs/dbraw/zinc/00/15/13/136001513.db2.gz FCXWFJKMRHSUBT-VHSXEESVSA-N 2 2 230.271 0.298 20 0 BCADLP CC(=O)[C@@](C)(O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000347781824 136009431 /nfs/dbraw/zinc/00/94/31/136009431.db2.gz KSGGBZSZGCUTPB-LBPRGKRZSA-N 2 2 239.319 0.545 20 0 BCADLP CC(=O)[C@@](C)(O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000347781824 136009432 /nfs/dbraw/zinc/00/94/32/136009432.db2.gz KSGGBZSZGCUTPB-LBPRGKRZSA-N 2 2 239.319 0.545 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(C(N)=O)CCCC1 ZINC000347836870 136014586 /nfs/dbraw/zinc/01/45/86/136014586.db2.gz KUEDFJGSKGTLGH-QWRGUYRKSA-N 2 2 239.363 0.572 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(C(N)=O)CCCC1 ZINC000347836870 136014587 /nfs/dbraw/zinc/01/45/87/136014587.db2.gz KUEDFJGSKGTLGH-QWRGUYRKSA-N 2 2 239.363 0.572 20 0 BCADLP Cc1cc(N2CC[N@@H+]3CCOC[C@H]3C2)nc[nH+]1 ZINC000347872786 136017148 /nfs/dbraw/zinc/01/71/48/136017148.db2.gz DJLITWAETRMTTA-LLVKDONJSA-N 2 2 234.303 0.306 20 0 BCADLP Cc1cc(N2CC[N@H+]3CCOC[C@H]3C2)nc[nH+]1 ZINC000347872786 136017149 /nfs/dbraw/zinc/01/71/49/136017149.db2.gz DJLITWAETRMTTA-LLVKDONJSA-N 2 2 234.303 0.306 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2C=C[C@H](CO)C2)C1 ZINC000348182978 136043969 /nfs/dbraw/zinc/04/39/69/136043969.db2.gz MSDBJWGFSYCCNF-ZDEQEGDKSA-N 2 2 224.348 0.853 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2C=C[C@H](CO)C2)C1 ZINC000348182978 136043970 /nfs/dbraw/zinc/04/39/70/136043970.db2.gz MSDBJWGFSYCCNF-ZDEQEGDKSA-N 2 2 224.348 0.853 20 0 BCADLP C[C@@H]1C[N@H+](Cc2cc[nH]n2)C[C@@]1(C)C[NH3+] ZINC000335349005 136068043 /nfs/dbraw/zinc/06/80/43/136068043.db2.gz NNSOVVPKHOQDHW-MWLCHTKSSA-N 2 2 208.309 0.826 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2cc[nH]n2)C[C@@]1(C)C[NH3+] ZINC000335349005 136068044 /nfs/dbraw/zinc/06/80/44/136068044.db2.gz NNSOVVPKHOQDHW-MWLCHTKSSA-N 2 2 208.309 0.826 20 0 BCADLP Cn1nccc1C[N@H+](C)CCn1cc[nH+]c1 ZINC000348361828 136072514 /nfs/dbraw/zinc/07/25/14/136072514.db2.gz HQUMRCOYSLZVOR-UHFFFAOYSA-N 2 2 219.292 0.749 20 0 BCADLP Cn1nccc1C[N@@H+](C)CCn1cc[nH+]c1 ZINC000348361828 136072515 /nfs/dbraw/zinc/07/25/15/136072515.db2.gz HQUMRCOYSLZVOR-UHFFFAOYSA-N 2 2 219.292 0.749 20 0 BCADLP CC(C)OCC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000166150482 136088465 /nfs/dbraw/zinc/08/84/65/136088465.db2.gz UKOVYHGESUMODJ-NEPJUHHUSA-N 2 2 230.352 0.768 20 0 BCADLP CC(C)OCC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000166150348 136088726 /nfs/dbraw/zinc/08/87/26/136088726.db2.gz UKOVYHGESUMODJ-RYUDHWBXSA-N 2 2 230.352 0.768 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335399128 136093646 /nfs/dbraw/zinc/09/36/46/136093646.db2.gz LQSIQHNSTJGSAA-GXSJLCMTSA-N 2 2 211.309 0.986 20 0 BCADLP C[C@@H](C(N)=O)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335399128 136093647 /nfs/dbraw/zinc/09/36/47/136093647.db2.gz LQSIQHNSTJGSAA-GXSJLCMTSA-N 2 2 211.309 0.986 20 0 BCADLP C[NH+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000335556288 136099592 /nfs/dbraw/zinc/09/95/92/136099592.db2.gz AIGABAXDFNEYPU-NSHDSACASA-N 2 2 248.330 0.220 20 0 BCADLP Cn1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)n1 ZINC000335569776 136108661 /nfs/dbraw/zinc/10/86/61/136108661.db2.gz FQVJEKALNJWQFZ-CYBMUJFWSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)n1 ZINC000335569776 136108662 /nfs/dbraw/zinc/10/86/62/136108662.db2.gz FQVJEKALNJWQFZ-CYBMUJFWSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC000335569776 136108663 /nfs/dbraw/zinc/10/86/63/136108663.db2.gz FQVJEKALNJWQFZ-CYBMUJFWSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)n1 ZINC000335569776 136108664 /nfs/dbraw/zinc/10/86/64/136108664.db2.gz FQVJEKALNJWQFZ-CYBMUJFWSA-N 2 2 234.347 0.948 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H](CO)c1cccnc1 ZINC000348677701 136113373 /nfs/dbraw/zinc/11/33/73/136113373.db2.gz GGFVUOBPUQLNGM-MRVWCRGKSA-N 2 2 249.358 0.697 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H](CO)c1cccnc1 ZINC000348677701 136113374 /nfs/dbraw/zinc/11/33/74/136113374.db2.gz GGFVUOBPUQLNGM-MRVWCRGKSA-N 2 2 249.358 0.697 20 0 BCADLP CC[C@H](CO)[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000336653033 397832349 /nfs/dbraw/zinc/83/23/49/397832349.db2.gz LBFFIVSYKJVSBC-HBNTYKKESA-N 2 2 200.326 0.687 20 0 BCADLP CC[C@H](CO)[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336653033 397832351 /nfs/dbraw/zinc/83/23/51/397832351.db2.gz LBFFIVSYKJVSBC-HBNTYKKESA-N 2 2 200.326 0.687 20 0 BCADLP Cn1cc(C[NH+]2CCC(C)([NH3+])CC2)cn1 ZINC000390228892 397883892 /nfs/dbraw/zinc/88/38/92/397883892.db2.gz CCUKOUKVAIHAGN-UHFFFAOYSA-N 2 2 208.309 0.733 20 0 BCADLP COC[C@@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267441370 397948280 /nfs/dbraw/zinc/94/82/80/397948280.db2.gz CDSVOTPWZVBYPL-NSHDSACASA-N 2 2 239.319 0.596 20 0 BCADLP O=C1CC[C@@H](C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)N1 ZINC000649561217 397952445 /nfs/dbraw/zinc/95/24/45/397952445.db2.gz OZRFSTKYKYXGOB-MNOVXSKESA-N 2 2 248.330 0.868 20 0 BCADLP O=C1CC[C@@H](C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)N1 ZINC000649561217 397952447 /nfs/dbraw/zinc/95/24/47/397952447.db2.gz OZRFSTKYKYXGOB-MNOVXSKESA-N 2 2 248.330 0.868 20 0 BCADLP CC(C)[C@H]1CN(Cc2c[nH+]cn2C)CC[NH2+]1 ZINC000388448480 397897169 /nfs/dbraw/zinc/89/71/69/397897169.db2.gz NDFZBRCTGVKRFM-GFCCVEGCSA-N 2 2 222.336 0.850 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000493086549 397912413 /nfs/dbraw/zinc/91/24/13/397912413.db2.gz QYSOIPHHKSPBJB-MVIFTORASA-N 2 2 248.330 0.770 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCCO1 ZINC000643538198 397920157 /nfs/dbraw/zinc/92/01/57/397920157.db2.gz AYAUSTVYSAGLGT-RCWTZXSCSA-N 2 2 216.300 0.844 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000649629548 398009595 /nfs/dbraw/zinc/00/95/95/398009595.db2.gz JELZAEAVBISUKP-UPJWGTAASA-N 2 2 242.363 0.458 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000649629548 398009597 /nfs/dbraw/zinc/00/95/97/398009597.db2.gz JELZAEAVBISUKP-UPJWGTAASA-N 2 2 242.363 0.458 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000649629549 398010134 /nfs/dbraw/zinc/01/01/34/398010134.db2.gz JELZAEAVBISUKP-XQQFMLRXSA-N 2 2 242.363 0.458 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000649629549 398010136 /nfs/dbraw/zinc/01/01/36/398010136.db2.gz JELZAEAVBISUKP-XQQFMLRXSA-N 2 2 242.363 0.458 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000373116479 398013740 /nfs/dbraw/zinc/01/37/40/398013740.db2.gz WLTQUWLJZJOMGF-LLVKDONJSA-N 2 2 223.320 0.982 20 0 BCADLP COc1cc[nH+]cc1Cn1cc(CC[NH3+])nn1 ZINC000383441796 398020447 /nfs/dbraw/zinc/02/04/47/398020447.db2.gz DWLSNPKDRLOUTO-UHFFFAOYSA-N 2 2 233.275 0.231 20 0 BCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000382754207 397972116 /nfs/dbraw/zinc/97/21/16/397972116.db2.gz KNVDWUFWYFELJJ-GHMZBOCLSA-N 2 2 241.379 0.831 20 0 BCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000382754207 397972120 /nfs/dbraw/zinc/97/21/20/397972120.db2.gz KNVDWUFWYFELJJ-GHMZBOCLSA-N 2 2 241.379 0.831 20 0 BCADLP CN(CCn1cc[nH+]c1)CC[NH+]1CCCC1 ZINC000162498063 398080118 /nfs/dbraw/zinc/08/01/18/398080118.db2.gz ZQJXUNMBCXLJIE-UHFFFAOYSA-N 2 2 222.336 0.911 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000389524914 398110438 /nfs/dbraw/zinc/11/04/38/398110438.db2.gz HPBWBZGOUYEZKC-MNOVXSKESA-N 2 2 225.336 0.339 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000389524914 398110440 /nfs/dbraw/zinc/11/04/40/398110440.db2.gz HPBWBZGOUYEZKC-MNOVXSKESA-N 2 2 225.336 0.339 20 0 BCADLP CC(C)NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123289073 167049751 /nfs/dbraw/zinc/04/97/51/167049751.db2.gz VTGQXDBOIQQVCG-NEPJUHHUSA-N 2 2 241.379 0.926 20 0 BCADLP CC(C)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123289073 167049754 /nfs/dbraw/zinc/04/97/54/167049754.db2.gz VTGQXDBOIQQVCG-NEPJUHHUSA-N 2 2 241.379 0.926 20 0 BCADLP CC(C)NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123289073 167049756 /nfs/dbraw/zinc/04/97/56/167049756.db2.gz VTGQXDBOIQQVCG-NEPJUHHUSA-N 2 2 241.379 0.926 20 0 BCADLP CC(C)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123289073 167049759 /nfs/dbraw/zinc/04/97/59/167049759.db2.gz VTGQXDBOIQQVCG-NEPJUHHUSA-N 2 2 241.379 0.926 20 0 BCADLP CC(C)[NH2+]CC[N@@H+]1CCOC[C@@H](C)C1 ZINC000308605324 167104600 /nfs/dbraw/zinc/10/46/00/167104600.db2.gz BPLPITBMBLFYBX-NSHDSACASA-N 2 2 200.326 0.953 20 0 BCADLP CC(C)[NH2+]CC[N@H+]1CCOC[C@@H](C)C1 ZINC000308605324 167104602 /nfs/dbraw/zinc/10/46/02/167104602.db2.gz BPLPITBMBLFYBX-NSHDSACASA-N 2 2 200.326 0.953 20 0 BCADLP C[C@@H]1C[C@@H](C)[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000685580563 487558140 /nfs/dbraw/zinc/55/81/40/487558140.db2.gz RLXWSMMBSFLWLW-FOGDFJRCSA-N 2 2 212.337 0.924 20 0 BCADLP C[C@@H]1C[C@@H](C)[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000685580563 487558144 /nfs/dbraw/zinc/55/81/44/487558144.db2.gz RLXWSMMBSFLWLW-FOGDFJRCSA-N 2 2 212.337 0.924 20 0 BCADLP CC(C)[C@@H](C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653093982 487599975 /nfs/dbraw/zinc/59/99/75/487599975.db2.gz TZMXFMSXLLKKKS-WDEREUQCSA-N 2 2 229.368 0.674 20 0 BCADLP C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653094590 487602388 /nfs/dbraw/zinc/60/23/88/487602388.db2.gz JRRXHKPBJZCMHO-MXWKQRLJSA-N 2 2 227.352 0.522 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1CO ZINC000297868703 487604808 /nfs/dbraw/zinc/60/48/08/487604808.db2.gz PQNDEWHIXOZEHM-LBPRGKRZSA-N 2 2 223.320 0.809 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H]1CO ZINC000297868703 487604815 /nfs/dbraw/zinc/60/48/15/487604815.db2.gz PQNDEWHIXOZEHM-LBPRGKRZSA-N 2 2 223.320 0.809 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC(C)(C)C1 ZINC000309762545 487609086 /nfs/dbraw/zinc/60/90/86/487609086.db2.gz FBYXKDJYBFEVGC-NSHDSACASA-N 2 2 230.352 0.267 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(C)C1 ZINC000309762545 487609089 /nfs/dbraw/zinc/60/90/89/487609089.db2.gz FBYXKDJYBFEVGC-NSHDSACASA-N 2 2 230.352 0.267 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCC(C)(C)C1 ZINC000653073810 409559738 /nfs/dbraw/zinc/55/97/38/409559738.db2.gz NUWGEVUIPLSCOA-LLVKDONJSA-N 2 2 241.379 0.914 20 0 BCADLP C[C@H]([NH3+])C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662245226 409539120 /nfs/dbraw/zinc/53/91/20/409539120.db2.gz JFOYTLAAOFQPPK-CMPLNLGQSA-N 3 2 227.352 0.034 20 0 BCADLP C([C@H]1CCOC1)[N@H+](C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000662250431 409548599 /nfs/dbraw/zinc/54/85/99/409548599.db2.gz HVGXRCZWGXLGEV-DGCLKSJQSA-N 2 2 240.347 0.476 20 0 BCADLP C([C@H]1CCOC1)[N@@H+](C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000662250431 409548606 /nfs/dbraw/zinc/54/86/06/409548606.db2.gz HVGXRCZWGXLGEV-DGCLKSJQSA-N 2 2 240.347 0.476 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1(C)CCCC1 ZINC000653073567 409549313 /nfs/dbraw/zinc/54/93/13/409549313.db2.gz FDWWAFAPZAAFJG-SNVBAGLBSA-N 2 2 227.352 0.714 20 0 BCADLP C([C@H]1CCOC1)[N@H+](C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000662250433 409549541 /nfs/dbraw/zinc/54/95/41/409549541.db2.gz HVGXRCZWGXLGEV-YPMHNXCESA-N 2 2 240.347 0.476 20 0 BCADLP C([C@H]1CCOC1)[N@@H+](C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000662250433 409549548 /nfs/dbraw/zinc/54/95/48/409549548.db2.gz HVGXRCZWGXLGEV-YPMHNXCESA-N 2 2 240.347 0.476 20 0 BCADLP CO[C@@H](C)C[N@H+](C[C@@H]1C[NH2+]CCO1)C(C)C ZINC000662254932 409550883 /nfs/dbraw/zinc/55/08/83/409550883.db2.gz BYTGXRWHOKYRRH-RYUDHWBXSA-N 2 2 230.352 0.720 20 0 BCADLP CO[C@@H](C)C[N@@H+](C[C@@H]1C[NH2+]CCO1)C(C)C ZINC000662254932 409550890 /nfs/dbraw/zinc/55/08/90/409550890.db2.gz BYTGXRWHOKYRRH-RYUDHWBXSA-N 2 2 230.352 0.720 20 0 BCADLP CO[C@@H](C)C[N@H+](C[C@H]1C[NH2+]CCO1)C(C)C ZINC000662254929 409551840 /nfs/dbraw/zinc/55/18/40/409551840.db2.gz BYTGXRWHOKYRRH-NWDGAFQWSA-N 2 2 230.352 0.720 20 0 BCADLP CO[C@@H](C)C[N@@H+](C[C@H]1C[NH2+]CCO1)C(C)C ZINC000662254929 409551847 /nfs/dbraw/zinc/55/18/47/409551847.db2.gz BYTGXRWHOKYRRH-NWDGAFQWSA-N 2 2 230.352 0.720 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1Cc2ccccc2C1 ZINC000653088083 409619296 /nfs/dbraw/zinc/61/92/96/409619296.db2.gz QQZJQMXQFQEZNG-ZDUSSCGKSA-N 2 2 247.342 0.808 20 0 BCADLP NC(=O)c1ccc(C[N@@H+]2CC3CC2(C[NH3+])C3)cc1 ZINC000662307880 409631039 /nfs/dbraw/zinc/63/10/39/409631039.db2.gz SAKDUOWBUUKBCH-UHFFFAOYSA-N 2 2 245.326 0.709 20 0 BCADLP NC(=O)c1ccc(C[N@H+]2CC3CC2(C[NH3+])C3)cc1 ZINC000662307880 409631045 /nfs/dbraw/zinc/63/10/45/409631045.db2.gz SAKDUOWBUUKBCH-UHFFFAOYSA-N 2 2 245.326 0.709 20 0 BCADLP CC[C@H](C)N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653074237 409577874 /nfs/dbraw/zinc/57/78/74/409577874.db2.gz AMGFXDKNNZAJKA-UWVGGRQHSA-N 2 2 215.341 0.522 20 0 BCADLP CC[C@@H](C)N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653074239 409578062 /nfs/dbraw/zinc/57/80/62/409578062.db2.gz AMGFXDKNNZAJKA-ZJUUUORDSA-N 2 2 215.341 0.522 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000662274802 409586552 /nfs/dbraw/zinc/58/65/52/409586552.db2.gz XFCJYKYWTIIQKF-LBPRGKRZSA-N 3 2 239.363 0.050 20 0 BCADLP COC[C@H](C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)OC ZINC000662277722 409593328 /nfs/dbraw/zinc/59/33/28/409593328.db2.gz WHYCLOFTZUSKKM-GRYCIOLGSA-N 2 2 228.336 0.332 20 0 BCADLP COC[C@H](C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)OC ZINC000662277722 409593336 /nfs/dbraw/zinc/59/33/36/409593336.db2.gz WHYCLOFTZUSKKM-GRYCIOLGSA-N 2 2 228.336 0.332 20 0 BCADLP C[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653080468 409596956 /nfs/dbraw/zinc/59/69/56/409596956.db2.gz IRPPGTKCVVPOMO-RYUDHWBXSA-N 2 2 241.379 0.914 20 0 BCADLP CC(C)C(C)(C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653079806 409597952 /nfs/dbraw/zinc/59/79/52/409597952.db2.gz NXVCQQJKHRWCHN-JTQLQIEISA-N 2 2 229.368 0.816 20 0 BCADLP COC[C@@H]1CCCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662280873 409600269 /nfs/dbraw/zinc/60/02/69/409600269.db2.gz GOKCWKAZMBTJAE-OLZOCXBDSA-N 2 2 242.363 0.723 20 0 BCADLP COC[C@@H]1CCCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662280873 409600272 /nfs/dbraw/zinc/60/02/72/409600272.db2.gz GOKCWKAZMBTJAE-OLZOCXBDSA-N 2 2 242.363 0.723 20 0 BCADLP C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H]1C ZINC000653083430 409608391 /nfs/dbraw/zinc/60/83/91/409608391.db2.gz YWIYJKZKIDVHEZ-GRYCIOLGSA-N 2 2 241.379 0.912 20 0 BCADLP CN1CCC[C@H]([NH+]2CCC3(CC[NH2+]3)CC2)C1=O ZINC000662282268 409608439 /nfs/dbraw/zinc/60/84/39/409608439.db2.gz FJNCMMQLDIVGGB-NSHDSACASA-N 2 2 237.347 0.435 20 0 BCADLP CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1CCC1 ZINC000653094425 409701730 /nfs/dbraw/zinc/70/17/30/409701730.db2.gz FLSNLCISPXVXBY-LLVKDONJSA-N 2 2 227.352 0.666 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H]1CCCS1 ZINC000653092337 409676920 /nfs/dbraw/zinc/67/69/20/409676920.db2.gz ZJEYZUYMLKSUQE-ZJUUUORDSA-N 2 2 245.392 0.277 20 0 BCADLP CC[C@@H]([NH2+]C)C(=O)NCCNc1cccc[nH+]1 ZINC000662371120 409679506 /nfs/dbraw/zinc/67/95/06/409679506.db2.gz JTPRMLBEGVQBNB-SNVBAGLBSA-N 2 2 236.319 0.608 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)CC1([NH3+])CCC1 ZINC000662584691 409769914 /nfs/dbraw/zinc/76/99/14/409769914.db2.gz FDTRDVIZEUPQPG-UHFFFAOYSA-N 2 2 222.292 0.640 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)CC1([NH3+])CCC1 ZINC000662584691 409769929 /nfs/dbraw/zinc/76/99/29/409769929.db2.gz FDTRDVIZEUPQPG-UHFFFAOYSA-N 2 2 222.292 0.640 20 0 BCADLP C[C@@H](C(=O)N(C)Cc1c[nH+]c[nH]1)[C@H](C)[NH3+] ZINC000662586359 409771916 /nfs/dbraw/zinc/77/19/16/409771916.db2.gz SQDXHRBHMMFBBZ-SFYZADRCSA-N 2 2 210.281 0.351 20 0 BCADLP C[C@@H](C(=O)N(C)Cc1c[nH]c[nH+]1)[C@H](C)[NH3+] ZINC000662586359 409771924 /nfs/dbraw/zinc/77/19/24/409771924.db2.gz SQDXHRBHMMFBBZ-SFYZADRCSA-N 2 2 210.281 0.351 20 0 BCADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H]1CCSC1 ZINC000653125667 409835143 /nfs/dbraw/zinc/83/51/43/409835143.db2.gz PXOPUVUTHKDJAE-NXEZZACHSA-N 2 2 245.392 0.229 20 0 BCADLP CC[C@H]([NH2+]C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000662690274 409835746 /nfs/dbraw/zinc/83/57/46/409835746.db2.gz ZHOGBETYTCXQLO-MNOVXSKESA-N 2 2 238.335 0.633 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(O)cc1 ZINC000653130515 409846271 /nfs/dbraw/zinc/84/62/71/409846271.db2.gz PXQKNIAZYHRABG-NSHDSACASA-N 2 2 237.303 0.610 20 0 BCADLP Cc1cccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)n1 ZINC000653105074 409797174 /nfs/dbraw/zinc/79/71/74/409797174.db2.gz DOUBDBHTFYICFP-JTQLQIEISA-N 2 2 236.319 0.608 20 0 BCADLP Cc1cccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)n1 ZINC000653105075 409798869 /nfs/dbraw/zinc/79/88/69/409798869.db2.gz DOUBDBHTFYICFP-SNVBAGLBSA-N 2 2 236.319 0.608 20 0 BCADLP Cc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cn1 ZINC000653148869 409871219 /nfs/dbraw/zinc/87/12/19/409871219.db2.gz OCEITQUHNUADRW-LLVKDONJSA-N 2 2 236.319 0.608 20 0 BCADLP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@H]1C ZINC000653150446 409874677 /nfs/dbraw/zinc/87/46/77/409874677.db2.gz BKOKXSYFUJCQDB-UTUOFQBUSA-N 2 2 241.379 0.770 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H](C)C[NH2+]C ZINC000662899255 409970198 /nfs/dbraw/zinc/97/01/98/409970198.db2.gz FDNWYLFTCKYNNB-ZJUUUORDSA-N 2 2 238.335 0.936 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)CC[NH2+]C ZINC000662898692 409970647 /nfs/dbraw/zinc/97/06/47/409970647.db2.gz AHDTZXMIFGCGOP-VIFPVBQESA-N 2 2 224.308 0.690 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)CC[NH2+]C ZINC000662898681 409971589 /nfs/dbraw/zinc/97/15/89/409971589.db2.gz AHDTZXMIFGCGOP-SECBINFHSA-N 2 2 224.308 0.690 20 0 BCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662933122 409980136 /nfs/dbraw/zinc/98/01/36/409980136.db2.gz GOUFRYSTZZSZJR-GUBZILKMSA-N 2 2 238.335 0.971 20 0 BCADLP C[C@H](NC(=O)C(C)(C)[NH3+])c1[nH+]ccn1C ZINC000662934069 409980723 /nfs/dbraw/zinc/98/07/23/409980723.db2.gz LTOVFKOQRUBMHZ-ZETCQYMHSA-N 2 2 210.281 0.335 20 0 BCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662933125 409980801 /nfs/dbraw/zinc/98/08/01/409980801.db2.gz GOUFRYSTZZSZJR-UTLUCORTSA-N 2 2 238.335 0.971 20 0 BCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662933121 409980965 /nfs/dbraw/zinc/98/09/65/409980965.db2.gz GOUFRYSTZZSZJR-BBBLOLIVSA-N 2 2 238.335 0.971 20 0 BCADLP C[C@H](NC(=O)[C@H]1C[C@@]12CC[NH2+]C2)c1[nH+]ccn1C ZINC000662934862 409982486 /nfs/dbraw/zinc/98/24/86/409982486.db2.gz RAAOJWGNIMZASX-OPQQBVKSSA-N 2 2 248.330 0.597 20 0 BCADLP Cn1cnnc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000150281955 487611988 /nfs/dbraw/zinc/61/19/88/487611988.db2.gz VXVBURSJKDVODC-SNVBAGLBSA-N 2 2 223.324 0.518 20 0 BCADLP Cn1cnnc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000150281955 487611991 /nfs/dbraw/zinc/61/19/91/487611991.db2.gz VXVBURSJKDVODC-SNVBAGLBSA-N 2 2 223.324 0.518 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCOCCF ZINC000663340588 410147050 /nfs/dbraw/zinc/14/70/50/410147050.db2.gz QNQXKFOCFBQSFP-UWVGGRQHSA-N 2 2 204.289 0.512 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCOCCF ZINC000663340588 410147056 /nfs/dbraw/zinc/14/70/56/410147056.db2.gz QNQXKFOCFBQSFP-UWVGGRQHSA-N 2 2 204.289 0.512 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCOCCF ZINC000663340589 410147536 /nfs/dbraw/zinc/14/75/36/410147536.db2.gz QNQXKFOCFBQSFP-VHSXEESVSA-N 2 2 204.289 0.512 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCOCCF ZINC000663340589 410147540 /nfs/dbraw/zinc/14/75/40/410147540.db2.gz QNQXKFOCFBQSFP-VHSXEESVSA-N 2 2 204.289 0.512 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000653165993 410131411 /nfs/dbraw/zinc/13/14/11/410131411.db2.gz PRMMRXLFOKRIHY-VLEAKVRGSA-N 2 2 225.336 0.180 20 0 BCADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)(C)C ZINC000653168179 410135302 /nfs/dbraw/zinc/13/53/02/410135302.db2.gz RRYBVIVBTSITPT-VIFPVBQESA-N 2 2 215.341 0.522 20 0 BCADLP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655411466 410212876 /nfs/dbraw/zinc/21/28/76/410212876.db2.gz CAKFDKMWWOMBNG-MNOVXSKESA-N 2 2 248.330 0.314 20 0 BCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[NH2+]CC1 ZINC000655411948 410216791 /nfs/dbraw/zinc/21/67/91/410216791.db2.gz JEHSSYHMQBNNFT-LLVKDONJSA-N 2 2 248.330 0.267 20 0 BCADLP CCOC[C@@H](O)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000309100495 410243047 /nfs/dbraw/zinc/24/30/47/410243047.db2.gz IUUIPUVKGNEPEW-MNOVXSKESA-N 2 2 216.325 0.068 20 0 BCADLP CCOC[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000309100495 410243053 /nfs/dbraw/zinc/24/30/53/410243053.db2.gz IUUIPUVKGNEPEW-MNOVXSKESA-N 2 2 216.325 0.068 20 0 BCADLP Nc1ccc(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)c[nH+]1 ZINC000655416403 410223971 /nfs/dbraw/zinc/22/39/71/410223971.db2.gz SBAKSLDDUNMSQW-MFKMUULPSA-N 2 2 246.314 0.992 20 0 BCADLP Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000650724392 410360211 /nfs/dbraw/zinc/36/02/11/410360211.db2.gz FIDCWHMLEVTMEH-JQWIXIFHSA-N 2 2 247.342 0.714 20 0 BCADLP C[C@@H](CNC(=O)N(C)Cc1c[nH+]c[nH]1)[NH+](C)C ZINC000661275974 410446206 /nfs/dbraw/zinc/44/62/06/410446206.db2.gz UBWSFVHXBXABLG-VIFPVBQESA-N 2 2 239.323 0.501 20 0 BCADLP C[C@@H](CNC(=O)N(C)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC000661275974 410446211 /nfs/dbraw/zinc/44/62/11/410446211.db2.gz UBWSFVHXBXABLG-VIFPVBQESA-N 2 2 239.323 0.501 20 0 BCADLP CC(C)NC(=O)C[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000051889819 410570790 /nfs/dbraw/zinc/57/07/90/410570790.db2.gz UKRGRMFNKMWMOU-JTQLQIEISA-N 2 2 213.325 0.052 20 0 BCADLP CC(C)NC(=O)C[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000051889819 410570797 /nfs/dbraw/zinc/57/07/97/410570797.db2.gz UKRGRMFNKMWMOU-JTQLQIEISA-N 2 2 213.325 0.052 20 0 BCADLP C[C@H]([NH3+])CNc1nc[nH+]c2c1OCCN2 ZINC000634808843 410742455 /nfs/dbraw/zinc/74/24/55/410742455.db2.gz DKODLMPQYHQBJC-LURJTMIESA-N 2 2 209.253 0.040 20 0 BCADLP CC[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000665299988 410833844 /nfs/dbraw/zinc/83/38/44/410833844.db2.gz VXFRUBRFBUKQQG-MXWKQRLJSA-N 2 2 248.392 0.540 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)Cc1cnccn1 ZINC000665297531 410819566 /nfs/dbraw/zinc/81/95/66/410819566.db2.gz HTKCWFAOLWSOOX-VHSXEESVSA-N 2 2 208.309 0.605 20 0 BCADLP CC(C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000043501046 167102938 /nfs/dbraw/zinc/10/29/38/167102938.db2.gz FSIOAORBDJVHPM-JTQLQIEISA-N 2 2 213.325 0.324 20 0 BCADLP CC(C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000043501046 167102940 /nfs/dbraw/zinc/10/29/40/167102940.db2.gz FSIOAORBDJVHPM-JTQLQIEISA-N 2 2 213.325 0.324 20 0 BCADLP CC(C)[NH2+]CC[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000309619907 167103979 /nfs/dbraw/zinc/10/39/79/167103979.db2.gz OVHAFRNSXSKMIP-GFCCVEGCSA-N 2 2 225.336 0.196 20 0 BCADLP CC(C)[NH2+]CC[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000309619907 167103980 /nfs/dbraw/zinc/10/39/80/167103980.db2.gz OVHAFRNSXSKMIP-GFCCVEGCSA-N 2 2 225.336 0.196 20 0 BCADLP CC(C)[NH2+]CC[N@@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000368075523 167107568 /nfs/dbraw/zinc/10/75/68/167107568.db2.gz ZLCGZYJHMMZIFJ-WDEREUQCSA-N 2 2 225.336 0.052 20 0 BCADLP CC(C)[NH2+]CC[N@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000368075523 167107570 /nfs/dbraw/zinc/10/75/70/167107570.db2.gz ZLCGZYJHMMZIFJ-WDEREUQCSA-N 2 2 225.336 0.052 20 0 BCADLP CC(C)OCCC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000011886019 167215736 /nfs/dbraw/zinc/21/57/36/167215736.db2.gz TUFBWIGITSLJIS-LLVKDONJSA-N 2 2 216.325 0.461 20 0 BCADLP CC(C)OCCC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000011886019 167215737 /nfs/dbraw/zinc/21/57/37/167215737.db2.gz TUFBWIGITSLJIS-LLVKDONJSA-N 2 2 216.325 0.461 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCOC[C@H]1C ZINC000309256632 410911959 /nfs/dbraw/zinc/91/19/59/410911959.db2.gz OKPYHNRTIUNCJB-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCOC[C@H]1C ZINC000309256632 410911965 /nfs/dbraw/zinc/91/19/65/410911965.db2.gz OKPYHNRTIUNCJB-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCOC[C@H]1C ZINC000309256632 410911968 /nfs/dbraw/zinc/91/19/68/410911968.db2.gz OKPYHNRTIUNCJB-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCOC[C@H]1C ZINC000309256632 410911974 /nfs/dbraw/zinc/91/19/74/410911974.db2.gz OKPYHNRTIUNCJB-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC(C)[C@@H](C)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000357309935 167366390 /nfs/dbraw/zinc/36/63/90/167366390.db2.gz QLEDJJZLEDCIDA-GFCCVEGCSA-N 2 2 241.379 0.737 20 0 BCADLP CC(C)[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000357309935 167366392 /nfs/dbraw/zinc/36/63/92/167366392.db2.gz QLEDJJZLEDCIDA-GFCCVEGCSA-N 2 2 241.379 0.737 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399013761 411010413 /nfs/dbraw/zinc/01/04/13/411010413.db2.gz ZYAYGOJMGIPWEJ-JTQLQIEISA-N 2 2 222.292 0.462 20 0 BCADLP COc1c(C)[nH+]cnc1N[C@@H]1CC[NH2+]C1 ZINC000107206432 411132820 /nfs/dbraw/zinc/13/28/20/411132820.db2.gz XIHFIXCJDVDRIZ-MRVPVSSYSA-N 2 2 208.265 0.567 20 0 BCADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cn(C)nn1 ZINC000651866168 411147689 /nfs/dbraw/zinc/14/76/89/411147689.db2.gz XLKKCOOMLKNYHA-UHFFFAOYSA-N 2 2 239.367 0.883 20 0 BCADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cn(C)nn1 ZINC000651866168 411147690 /nfs/dbraw/zinc/14/76/90/411147690.db2.gz XLKKCOOMLKNYHA-UHFFFAOYSA-N 2 2 239.367 0.883 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000651939651 411155811 /nfs/dbraw/zinc/15/58/11/411155811.db2.gz LZKXUOFQQVPNFN-UXCLJVHYSA-N 2 2 237.347 0.323 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000651939651 411155815 /nfs/dbraw/zinc/15/58/15/411155815.db2.gz LZKXUOFQQVPNFN-UXCLJVHYSA-N 2 2 237.347 0.323 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@@H]1C ZINC000653650437 411157755 /nfs/dbraw/zinc/15/77/55/411157755.db2.gz AKMIJMGEAGZZAL-TUAOUCFPSA-N 2 2 230.352 0.408 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@@H]1C ZINC000653650437 411157758 /nfs/dbraw/zinc/15/77/58/411157758.db2.gz AKMIJMGEAGZZAL-TUAOUCFPSA-N 2 2 230.352 0.408 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1[C@H](C)C[C@@H]1C ZINC000653650437 411157762 /nfs/dbraw/zinc/15/77/62/411157762.db2.gz AKMIJMGEAGZZAL-TUAOUCFPSA-N 2 2 230.352 0.408 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000653650437 411157765 /nfs/dbraw/zinc/15/77/65/411157765.db2.gz AKMIJMGEAGZZAL-TUAOUCFPSA-N 2 2 230.352 0.408 20 0 BCADLP Cc1nc(NCC2([NH+](C)C)CC2)cc[nH+]1 ZINC000397874550 411164740 /nfs/dbraw/zinc/16/47/40/411164740.db2.gz LEKZTVVCCLZUSH-UHFFFAOYSA-N 2 2 206.293 1.291 20 0 BCADLP CC(C)(CO)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000643475079 411169517 /nfs/dbraw/zinc/16/95/17/411169517.db2.gz ZFWQIOVRKIRWOG-NEPJUHHUSA-N 2 2 242.363 0.362 20 0 BCADLP CC(C)(CO)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000643475082 411169690 /nfs/dbraw/zinc/16/96/90/411169690.db2.gz ZFWQIOVRKIRWOG-VXGBXAGGSA-N 2 2 242.363 0.362 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000111826222 411181393 /nfs/dbraw/zinc/18/13/93/411181393.db2.gz XYTOOWUCNIRZHD-WDEREUQCSA-N 2 2 236.319 0.530 20 0 BCADLP O=C1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CCCN1 ZINC000111826558 411181485 /nfs/dbraw/zinc/18/14/85/411181485.db2.gz GKSOMIGVORQZFI-WDEREUQCSA-N 2 2 237.347 0.481 20 0 BCADLP O=C1C[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)CCCN1 ZINC000111826558 411181488 /nfs/dbraw/zinc/18/14/88/411181488.db2.gz GKSOMIGVORQZFI-WDEREUQCSA-N 2 2 237.347 0.481 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658093492 411243657 /nfs/dbraw/zinc/24/36/57/411243657.db2.gz VDBSZGURZFXAPC-UWVGGRQHSA-N 2 2 227.352 0.713 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658093492 411243660 /nfs/dbraw/zinc/24/36/60/411243660.db2.gz VDBSZGURZFXAPC-UWVGGRQHSA-N 2 2 227.352 0.713 20 0 BCADLP CCn1cc[nH+]c1CN1CC[C@@H](C[NH2+]C)C1 ZINC000070800149 411183837 /nfs/dbraw/zinc/18/38/37/411183837.db2.gz OHZJQAAGSSSVES-NSHDSACASA-N 2 2 222.336 0.944 20 0 BCADLP COC[C@@H](CC1CCOCC1)[NH2+]CC[NH+](C)C ZINC000658012732 411196869 /nfs/dbraw/zinc/19/68/69/411196869.db2.gz DJQLXZFEQGVLGM-CYBMUJFWSA-N 2 2 244.379 0.969 20 0 BCADLP C[C@H](Cc1ccccn1)[NH2+][C@H]1CC[NH2+]C1 ZINC000656193420 411198154 /nfs/dbraw/zinc/19/81/54/411198154.db2.gz LDEGLGBKSOOHSZ-PWSUYJOCSA-N 2 2 205.305 0.964 20 0 BCADLP Cn1c[nH+]cc1CN[C@H](C[NH3+])C(F)(F)F ZINC000656194879 411200537 /nfs/dbraw/zinc/20/05/37/411200537.db2.gz PYHWGJOJRPFFIO-SSDOTTSWSA-N 2 2 222.214 0.399 20 0 BCADLP Cn1c[nH+]cc1CN[C@@H](C[NH3+])C(F)(F)F ZINC000656194880 411200698 /nfs/dbraw/zinc/20/06/98/411200698.db2.gz PYHWGJOJRPFFIO-ZETCQYMHSA-N 2 2 222.214 0.399 20 0 BCADLP CCn1cc[nH+]c1CN[C@@H](C[NH3+])C(F)(F)F ZINC000656196537 411201732 /nfs/dbraw/zinc/20/17/32/411201732.db2.gz WTPJPOXVYPUNMF-ZETCQYMHSA-N 2 2 236.241 0.882 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424190614 411245308 /nfs/dbraw/zinc/24/53/08/411245308.db2.gz PVQWLSYQRUPWNQ-UTUOFQBUSA-N 2 2 239.363 0.395 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424190614 411245310 /nfs/dbraw/zinc/24/53/10/411245310.db2.gz PVQWLSYQRUPWNQ-UTUOFQBUSA-N 2 2 239.363 0.395 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000652338641 411203944 /nfs/dbraw/zinc/20/39/44/411203944.db2.gz KFPSGHXJWYKFME-OLZOCXBDSA-N 3 2 243.395 0.230 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000652338641 411203948 /nfs/dbraw/zinc/20/39/48/411203948.db2.gz KFPSGHXJWYKFME-OLZOCXBDSA-N 3 2 243.395 0.230 20 0 BCADLP C[NH2+]C[C@](C)(O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000652338641 411203949 /nfs/dbraw/zinc/20/39/49/411203949.db2.gz KFPSGHXJWYKFME-OLZOCXBDSA-N 3 2 243.395 0.230 20 0 BCADLP C[NH2+]C[C@](C)(O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000652338641 411203952 /nfs/dbraw/zinc/20/39/52/411203952.db2.gz KFPSGHXJWYKFME-OLZOCXBDSA-N 3 2 243.395 0.230 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000652341126 411206058 /nfs/dbraw/zinc/20/60/58/411206058.db2.gz ICSKUAQXHRNRNN-QWHCGFSZSA-N 3 2 241.379 0.032 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000652341126 411206060 /nfs/dbraw/zinc/20/60/60/411206060.db2.gz ICSKUAQXHRNRNN-QWHCGFSZSA-N 3 2 241.379 0.032 20 0 BCADLP Cc1noc(C[N@@H+](C)CCc2c[nH+]cn2C)n1 ZINC000653888984 411209873 /nfs/dbraw/zinc/20/98/73/411209873.db2.gz NHCZWJQRULELFM-UHFFFAOYSA-N 2 2 235.291 0.786 20 0 BCADLP Cc1noc(C[N@H+](C)CCc2c[nH+]cn2C)n1 ZINC000653888984 411209875 /nfs/dbraw/zinc/20/98/75/411209875.db2.gz NHCZWJQRULELFM-UHFFFAOYSA-N 2 2 235.291 0.786 20 0 BCADLP C[C@@H]1CCC[N@H+](Cc2nnnn2C)[C@@H]1CC[NH3+] ZINC000652356124 411215216 /nfs/dbraw/zinc/21/52/16/411215216.db2.gz SQDXZPKUOZGQQW-NXEZZACHSA-N 2 2 238.339 0.159 20 0 BCADLP C[C@@H]1CCC[N@@H+](Cc2nnnn2C)[C@@H]1CC[NH3+] ZINC000652356124 411215217 /nfs/dbraw/zinc/21/52/17/411215217.db2.gz SQDXZPKUOZGQQW-NXEZZACHSA-N 2 2 238.339 0.159 20 0 BCADLP C[C@H](O)C[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000653903441 411219068 /nfs/dbraw/zinc/21/90/68/411219068.db2.gz HZGUFMZFQOBJIQ-GWCFXTLKSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@H](O)C[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000653903441 411219069 /nfs/dbraw/zinc/21/90/69/411219069.db2.gz HZGUFMZFQOBJIQ-GWCFXTLKSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@H](O)C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000653903441 411219071 /nfs/dbraw/zinc/21/90/71/411219071.db2.gz HZGUFMZFQOBJIQ-GWCFXTLKSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@H](O)C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000653903441 411219072 /nfs/dbraw/zinc/21/90/72/411219072.db2.gz HZGUFMZFQOBJIQ-GWCFXTLKSA-N 2 2 242.363 0.287 20 0 BCADLP COC[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655680269 411223122 /nfs/dbraw/zinc/22/31/22/411223122.db2.gz JABBAUFITPANOZ-DGCLKSJQSA-N 2 2 242.363 0.864 20 0 BCADLP COC[C@@H](C[N@H+](C)CCCn1cc[nH+]c1)OC ZINC000660148774 411264167 /nfs/dbraw/zinc/26/41/67/411264167.db2.gz NFPDREXBPXVHIL-GFCCVEGCSA-N 2 2 241.335 0.866 20 0 BCADLP COC[C@@H](C[N@@H+](C)CCCn1cc[nH+]c1)OC ZINC000660148774 411264169 /nfs/dbraw/zinc/26/41/69/411264169.db2.gz NFPDREXBPXVHIL-GFCCVEGCSA-N 2 2 241.335 0.866 20 0 BCADLP CC[C@H]([NH3+])c1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656459413 411269231 /nfs/dbraw/zinc/26/92/31/411269231.db2.gz SZIJHAVXDREZSM-JTQLQIEISA-N 2 2 233.275 0.564 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000070645708 411271815 /nfs/dbraw/zinc/27/18/15/411271815.db2.gz IVXQBNGOCDTYPV-NSHDSACASA-N 2 2 222.292 0.368 20 0 BCADLP Cc1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)n1 ZINC000051576170 411274718 /nfs/dbraw/zinc/27/47/18/411274718.db2.gz BUIAQIYCTPEIQU-CQSZACIVSA-N 2 2 249.358 0.936 20 0 BCADLP Nc1ncc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000647542302 411283756 /nfs/dbraw/zinc/28/37/56/411283756.db2.gz NBDIRBNEPOWKDX-PSASIEDQSA-N 2 2 238.360 0.909 20 0 BCADLP Nc1ncc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000647542302 411283760 /nfs/dbraw/zinc/28/37/60/411283760.db2.gz NBDIRBNEPOWKDX-PSASIEDQSA-N 2 2 238.360 0.909 20 0 BCADLP c1ccc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)nc1 ZINC000051889319 411285370 /nfs/dbraw/zinc/28/53/70/411285370.db2.gz GSNLSDSIIUAZSE-ZDUSSCGKSA-N 2 2 246.358 0.813 20 0 BCADLP CC[N@@H+](CC(=O)N(C)C)C[C@H]1CC[NH2+]C1 ZINC000051889690 411285427 /nfs/dbraw/zinc/28/54/27/411285427.db2.gz YNXLCDQZCGDEOG-JTQLQIEISA-N 2 2 213.325 0.006 20 0 BCADLP CC[N@H+](CC(=O)N(C)C)C[C@H]1CC[NH2+]C1 ZINC000051889690 411285430 /nfs/dbraw/zinc/28/54/30/411285430.db2.gz YNXLCDQZCGDEOG-JTQLQIEISA-N 2 2 213.325 0.006 20 0 BCADLP c1cnc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)nc1 ZINC000051889315 411285586 /nfs/dbraw/zinc/28/55/86/411285586.db2.gz YSSSVJGSXCQKEM-LBPRGKRZSA-N 2 2 247.346 0.208 20 0 BCADLP c1cnc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000051889314 411285776 /nfs/dbraw/zinc/28/57/76/411285776.db2.gz YSSSVJGSXCQKEM-GFCCVEGCSA-N 2 2 247.346 0.208 20 0 BCADLP C[C@H](O)[C@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000661764169 411308716 /nfs/dbraw/zinc/30/87/16/411308716.db2.gz AOUZOIWPOOTEDY-CMPLNLGQSA-N 2 2 223.320 0.808 20 0 BCADLP C[C@H](O)[C@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000661764169 411308720 /nfs/dbraw/zinc/30/87/20/411308720.db2.gz AOUZOIWPOOTEDY-CMPLNLGQSA-N 2 2 223.320 0.808 20 0 BCADLP Cn1c[nH+]c(CN2CCC[N@H+](C)CC2)c1 ZINC000659828184 411310549 /nfs/dbraw/zinc/31/05/49/411310549.db2.gz FNMHTJRHWXPDSR-UHFFFAOYSA-N 2 2 208.309 0.558 20 0 BCADLP Cn1c[nH+]c(CN2CCC[N@@H+](C)CC2)c1 ZINC000659828184 411310552 /nfs/dbraw/zinc/31/05/52/411310552.db2.gz FNMHTJRHWXPDSR-UHFFFAOYSA-N 2 2 208.309 0.558 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000401759492 411318041 /nfs/dbraw/zinc/31/80/41/411318041.db2.gz HCCNBXBRYJMGRE-NWDGAFQWSA-N 3 2 222.336 0.861 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCCn2ccnc2)C1 ZINC000401759492 411318046 /nfs/dbraw/zinc/31/80/46/411318046.db2.gz HCCNBXBRYJMGRE-NWDGAFQWSA-N 2 2 222.336 0.861 20 0 BCADLP C[C@@H]1CN(Cc2cc[nH+]c(N)c2)C[C@H](C)[NH2+]1 ZINC000420287982 411258870 /nfs/dbraw/zinc/25/88/70/411258870.db2.gz GWLSLAONQKEWFA-AOOOYVTPSA-N 2 2 220.320 0.846 20 0 BCADLP C[NH2+]C[C@@H](C)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000659005039 411366100 /nfs/dbraw/zinc/36/61/00/411366100.db2.gz IJGYPYIUQQBTKW-SNVBAGLBSA-N 2 2 236.319 0.850 20 0 BCADLP C[NH2+]C[C@H](C)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000659005038 411366437 /nfs/dbraw/zinc/36/64/37/411366437.db2.gz IJGYPYIUQQBTKW-JTQLQIEISA-N 2 2 236.319 0.850 20 0 BCADLP COC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000656703290 411339725 /nfs/dbraw/zinc/33/97/25/411339725.db2.gz XKEISRGPQHBKAJ-QWRGUYRKSA-N 2 2 230.352 0.456 20 0 BCADLP COC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000656703290 411339729 /nfs/dbraw/zinc/33/97/29/411339729.db2.gz XKEISRGPQHBKAJ-QWRGUYRKSA-N 2 2 230.352 0.456 20 0 BCADLP CN(C)c1noc(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC000662233508 411382054 /nfs/dbraw/zinc/38/20/54/411382054.db2.gz FRUXJLLDBXXIDJ-UHFFFAOYSA-N 2 2 239.323 0.306 20 0 BCADLP CC1CC[NH+](CC(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000331047420 168177434 /nfs/dbraw/zinc/17/74/34/168177434.db2.gz GOLGNQXQELZAFX-UHFFFAOYSA-N 2 2 236.319 0.758 20 0 BCADLP C[C@H]1CCC[N@H+](Cc2nncn2C)[C@H]1CC[NH3+] ZINC000404365044 411391858 /nfs/dbraw/zinc/39/18/58/411391858.db2.gz GUEGMLTWSBSLPP-QWRGUYRKSA-N 2 2 237.351 0.764 20 0 BCADLP C[C@H]1CCC[N@@H+](Cc2nncn2C)[C@H]1CC[NH3+] ZINC000404365044 411391860 /nfs/dbraw/zinc/39/18/60/411391860.db2.gz GUEGMLTWSBSLPP-QWRGUYRKSA-N 2 2 237.351 0.764 20 0 BCADLP CC(=O)NCCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657299634 411455965 /nfs/dbraw/zinc/45/59/65/411455965.db2.gz XGMXKMVGIJVQOK-UHFFFAOYSA-N 2 2 236.319 0.445 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCOC2)n1C ZINC000657309436 411459440 /nfs/dbraw/zinc/45/94/40/411459440.db2.gz NIDXZLWTZVGVCH-JTQLQIEISA-N 2 2 209.293 0.855 20 0 BCADLP Cc1cc(N(C)[C@@H](C[NH3+])C2CC2)nc[nH+]1 ZINC000126820664 411459516 /nfs/dbraw/zinc/45/95/16/411459516.db2.gz GYMZEKRMPHDXQA-JTQLQIEISA-N 2 2 206.293 0.959 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000309450092 411396688 /nfs/dbraw/zinc/39/66/88/411396688.db2.gz MIMPBAJZKOJTRJ-UWVGGRQHSA-N 2 2 208.309 0.936 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000309450092 411396692 /nfs/dbraw/zinc/39/66/92/411396692.db2.gz MIMPBAJZKOJTRJ-UWVGGRQHSA-N 2 2 208.309 0.936 20 0 BCADLP C[C@@H](C[NH+](C)C)NC(=O)NCc1[nH+]ccn1C ZINC000287260820 411461302 /nfs/dbraw/zinc/46/13/02/411461302.db2.gz DBRUMXKELAOONQ-VIFPVBQESA-N 2 2 239.323 0.169 20 0 BCADLP C[C@@H](CC(=O)NCC[NH2+]C1CC1)n1cc[nH+]c1 ZINC000653048626 411404207 /nfs/dbraw/zinc/40/42/07/411404207.db2.gz NEGBMKYSZARYLD-JTQLQIEISA-N 2 2 236.319 0.702 20 0 BCADLP C[C@H](CC(=O)N(C)CCC[NH3+])n1cc[nH+]c1 ZINC000653053447 411405921 /nfs/dbraw/zinc/40/59/21/411405921.db2.gz KIOBQFCYROOPOV-SNVBAGLBSA-N 2 2 224.308 0.641 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC(C)(C)C ZINC000653056322 411406886 /nfs/dbraw/zinc/40/68/86/411406886.db2.gz AKWMXDGRQGORHZ-MRVPVSSYSA-N 2 2 201.314 0.180 20 0 BCADLP CC[C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653056079 411407503 /nfs/dbraw/zinc/40/75/03/411407503.db2.gz STWDRFNNVPZJBW-DTWKUNHWSA-N 2 2 201.314 0.180 20 0 BCADLP C[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653057436 411407858 /nfs/dbraw/zinc/40/78/58/411407858.db2.gz BQZBSGQUBYWVMI-MNOVXSKESA-N 2 2 227.352 0.666 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccccc1 ZINC000653056509 411408111 /nfs/dbraw/zinc/40/81/11/411408111.db2.gz KGTOTJXKUYAUHI-LLVKDONJSA-N 2 2 221.304 0.904 20 0 BCADLP CCCCN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653056555 411408504 /nfs/dbraw/zinc/40/85/04/411408504.db2.gz MQTJPQGKACCYGY-JTQLQIEISA-N 2 2 215.341 0.524 20 0 BCADLP C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653057584 411408709 /nfs/dbraw/zinc/40/87/09/411408709.db2.gz IOXUEGOSWAOYGD-GRYCIOLGSA-N 2 2 241.379 0.960 20 0 BCADLP CCC(C)(C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653057937 411409501 /nfs/dbraw/zinc/40/95/01/411409501.db2.gz WYRUVCOYLOLBAN-VIFPVBQESA-N 2 2 215.341 0.570 20 0 BCADLP C[C@@H]1CCC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653067857 411411634 /nfs/dbraw/zinc/41/16/34/411411634.db2.gz OBQZWPGMUYJXRL-GRYCIOLGSA-N 2 2 241.379 0.960 20 0 BCADLP CC(C)N(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000653071743 411412602 /nfs/dbraw/zinc/41/26/02/411412602.db2.gz RSYTXWPJMCBALZ-NSHDSACASA-N 2 2 227.352 0.665 20 0 BCADLP CCc1noc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000122352356 411430595 /nfs/dbraw/zinc/43/05/95/411430595.db2.gz NYSJZTFIYTVKBJ-IUCAKERBSA-N 2 2 224.308 0.801 20 0 BCADLP CCc1noc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000122352356 411430597 /nfs/dbraw/zinc/43/05/97/411430597.db2.gz NYSJZTFIYTVKBJ-IUCAKERBSA-N 2 2 224.308 0.801 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H](F)C1 ZINC000653609682 411438267 /nfs/dbraw/zinc/43/82/67/411438267.db2.gz ZAMPMBYNTDFHDT-SRVKXCTJSA-N 2 2 232.343 0.979 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H](F)C1 ZINC000653609682 411438270 /nfs/dbraw/zinc/43/82/70/411438270.db2.gz ZAMPMBYNTDFHDT-SRVKXCTJSA-N 2 2 232.343 0.979 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000653609682 411438271 /nfs/dbraw/zinc/43/82/71/411438271.db2.gz ZAMPMBYNTDFHDT-SRVKXCTJSA-N 2 2 232.343 0.979 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000653609682 411438274 /nfs/dbraw/zinc/43/82/74/411438274.db2.gz ZAMPMBYNTDFHDT-SRVKXCTJSA-N 2 2 232.343 0.979 20 0 BCADLP C[C@H](NC(=O)N1CC[NH2+]CC1)c1[nH+]ccn1C ZINC000659628125 411444616 /nfs/dbraw/zinc/44/46/16/411444616.db2.gz LTSFWYVRQVEWAL-VIFPVBQESA-N 2 2 237.307 0.096 20 0 BCADLP COCCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657286098 411444633 /nfs/dbraw/zinc/44/46/33/411444633.db2.gz HPJOTLJTZPOYTN-UHFFFAOYSA-N 2 2 209.293 0.955 20 0 BCADLP C[C@@H](NC(=O)N1CC[NH2+]CC1)c1[nH+]ccn1C ZINC000659628124 411444764 /nfs/dbraw/zinc/44/47/64/411444764.db2.gz LTSFWYVRQVEWAL-SECBINFHSA-N 2 2 237.307 0.096 20 0 BCADLP CC[C@H](CO)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657287864 411447219 /nfs/dbraw/zinc/44/72/19/411447219.db2.gz YZEXIUCPEGNYTN-SECBINFHSA-N 2 2 209.293 0.690 20 0 BCADLP COCCOCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657328739 411467228 /nfs/dbraw/zinc/46/72/28/411467228.db2.gz DOEWJZYJFKGKJN-UHFFFAOYSA-N 2 2 239.319 0.582 20 0 BCADLP CNC(=O)CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657330979 411468562 /nfs/dbraw/zinc/46/85/62/411468562.db2.gz JFSAEBHYHSNSLY-UHFFFAOYSA-N 2 2 222.292 0.055 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H](C)C(C)(C)O)n1C ZINC000657342946 411469213 /nfs/dbraw/zinc/46/92/13/411469213.db2.gz UESJHPXEWVHNNK-MRVPVSSYSA-N 2 2 211.309 0.978 20 0 BCADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)CO1 ZINC000657354853 411474041 /nfs/dbraw/zinc/47/40/41/411474041.db2.gz WQNDLXGGSBHCRU-HBNTYKKESA-N 2 2 216.325 0.066 20 0 BCADLP C[C@H](NC(=O)NCC(C)(C)[NH3+])c1[nH+]ccn1C ZINC000659520690 411475422 /nfs/dbraw/zinc/47/54/22/411475422.db2.gz LODRALCJJSEUOL-QMMMGPOBSA-N 2 2 239.323 0.518 20 0 BCADLP OC1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCC1 ZINC000657357047 411477766 /nfs/dbraw/zinc/47/77/66/411477766.db2.gz VJBMPIWKNYPCMS-UHFFFAOYSA-N 2 2 221.304 0.834 20 0 BCADLP CC(C)(O)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657356330 411477940 /nfs/dbraw/zinc/47/79/40/411477940.db2.gz KPTJNYCMKZRMCA-UHFFFAOYSA-N 2 2 209.293 0.690 20 0 BCADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)CO1 ZINC000657357406 411479230 /nfs/dbraw/zinc/47/92/30/411479230.db2.gz NRFNKXFOQMEPNF-JHJVBQTASA-N 2 2 241.379 0.389 20 0 BCADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)CO1 ZINC000657357406 411479232 /nfs/dbraw/zinc/47/92/32/411479232.db2.gz NRFNKXFOQMEPNF-JHJVBQTASA-N 2 2 241.379 0.389 20 0 BCADLP C[C@H]1CC[NH2+][C@H](C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000127290342 411483075 /nfs/dbraw/zinc/48/30/75/411483075.db2.gz GQSDVUVDESBYBK-UWVGGRQHSA-N 2 2 236.319 0.756 20 0 BCADLP C[C@@H](CO)[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657372798 411486159 /nfs/dbraw/zinc/48/61/59/411486159.db2.gz XDXJXBHXLHPXIL-UWVGGRQHSA-N 2 2 223.320 0.936 20 0 BCADLP O=C1C[C@H](C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CN1 ZINC000659882861 411489792 /nfs/dbraw/zinc/48/97/92/411489792.db2.gz OMHDKSMJBAXRCE-NWDGAFQWSA-N 2 2 248.330 0.656 20 0 BCADLP O=C1C[C@H](C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CN1 ZINC000659882861 411489794 /nfs/dbraw/zinc/48/97/94/411489794.db2.gz OMHDKSMJBAXRCE-NWDGAFQWSA-N 2 2 248.330 0.656 20 0 BCADLP COC[C@](C)(CCO)[NH2+]Cc1c[nH+]c(C)n1C ZINC000657390083 411491758 /nfs/dbraw/zinc/49/17/58/411491758.db2.gz SLHLAYKFGHARBB-LBPRGKRZSA-N 2 2 241.335 0.606 20 0 BCADLP OCC1([NH2+]Cc2c[nH+]c3n2CCC3)CCC1 ZINC000657398894 411494597 /nfs/dbraw/zinc/49/45/97/411494597.db2.gz FCGJIPNEABDHOX-UHFFFAOYSA-N 2 2 221.304 0.834 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H]2C=C[C@H](CO)C2)n1C ZINC000657398979 411494823 /nfs/dbraw/zinc/49/48/23/411494823.db2.gz QKCCNQGCFMHONM-WDEREUQCSA-N 2 2 221.304 0.755 20 0 BCADLP CC[C@H]1C[C@@H]([NH2+]CC[N@H+](CC)CCO)CO1 ZINC000657438408 411510300 /nfs/dbraw/zinc/51/03/00/411510300.db2.gz QHLZIZAEVUZOGL-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP CC[C@H]1C[C@@H]([NH2+]CC[N@@H+](CC)CCO)CO1 ZINC000657438408 411510302 /nfs/dbraw/zinc/51/03/02/411510302.db2.gz QHLZIZAEVUZOGL-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCCC(=O)N2)n1C ZINC000657453154 411514498 /nfs/dbraw/zinc/51/44/98/411514498.db2.gz WHRJAPVCOHHXDF-SNVBAGLBSA-N 2 2 236.319 0.487 20 0 BCADLP C[C@@H]1C[C@@H]([NH+](C)CCc2c[nH]nn2)CC[N@@H+]1C ZINC000659984668 411519670 /nfs/dbraw/zinc/51/96/70/411519670.db2.gz QRSYZCGGVHCSIK-PWSUYJOCSA-N 2 2 237.351 0.762 20 0 BCADLP C[C@@H]1C[C@@H]([NH+](C)CCc2c[nH]nn2)CC[N@H+]1C ZINC000659984668 411519673 /nfs/dbraw/zinc/51/96/73/411519673.db2.gz QRSYZCGGVHCSIK-PWSUYJOCSA-N 2 2 237.351 0.762 20 0 BCADLP C[C@@H]1C[C@@H]([N@H+](C)CCc2c[nH]nn2)CC[NH+]1C ZINC000659984668 411519675 /nfs/dbraw/zinc/51/96/75/411519675.db2.gz QRSYZCGGVHCSIK-PWSUYJOCSA-N 2 2 237.351 0.762 20 0 BCADLP C[C@@H]1C[C@@H]([N@@H+](C)CCc2c[nH]nn2)CC[NH+]1C ZINC000659984668 411519677 /nfs/dbraw/zinc/51/96/77/411519677.db2.gz QRSYZCGGVHCSIK-PWSUYJOCSA-N 2 2 237.351 0.762 20 0 BCADLP C[C@@H]1C[C@@H]([NH+](C)CCc2cn[nH]n2)CC[N@@H+]1C ZINC000659984668 411519680 /nfs/dbraw/zinc/51/96/80/411519680.db2.gz QRSYZCGGVHCSIK-PWSUYJOCSA-N 2 2 237.351 0.762 20 0 BCADLP C[C@@H]1C[C@@H]([NH+](C)CCc2cn[nH]n2)CC[N@H+]1C ZINC000659984668 411519683 /nfs/dbraw/zinc/51/96/83/411519683.db2.gz QRSYZCGGVHCSIK-PWSUYJOCSA-N 2 2 237.351 0.762 20 0 BCADLP C[C@@H]1C[C@@H]([N@H+](C)CCc2cn[nH]n2)CC[NH+]1C ZINC000659984668 411519686 /nfs/dbraw/zinc/51/96/86/411519686.db2.gz QRSYZCGGVHCSIK-PWSUYJOCSA-N 2 2 237.351 0.762 20 0 BCADLP C[C@@H]1C[C@@H]([N@@H+](C)CCc2cn[nH]n2)CC[NH+]1C ZINC000659984668 411519688 /nfs/dbraw/zinc/51/96/88/411519688.db2.gz QRSYZCGGVHCSIK-PWSUYJOCSA-N 2 2 237.351 0.762 20 0 BCADLP CC[NH+]1CC[C@@H]([N@H+](C)CCC[NH3+])[C@H](C)C1 ZINC000336741145 170010325 /nfs/dbraw/zinc/01/03/25/170010325.db2.gz MYNRJZUWDGZZLX-VXGBXAGGSA-N 3 2 213.369 0.997 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCC[NH3+])[C@H](C)C1 ZINC000336741145 170010322 /nfs/dbraw/zinc/01/03/22/170010322.db2.gz MYNRJZUWDGZZLX-VXGBXAGGSA-N 3 2 213.369 0.997 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH+](C)CCC[NH3+])[C@H](C)C1 ZINC000336741145 170010323 /nfs/dbraw/zinc/01/03/23/170010323.db2.gz MYNRJZUWDGZZLX-VXGBXAGGSA-N 3 2 213.369 0.997 20 0 BCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCn1cncn1 ZINC000371924078 170024440 /nfs/dbraw/zinc/02/44/40/170024440.db2.gz OWXDOIQDNMTEMH-OLZOCXBDSA-N 2 2 249.362 0.837 20 0 BCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCn1cncn1 ZINC000371924078 170024442 /nfs/dbraw/zinc/02/44/42/170024442.db2.gz OWXDOIQDNMTEMH-OLZOCXBDSA-N 2 2 249.362 0.837 20 0 BCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cncn1 ZINC000371924078 170024444 /nfs/dbraw/zinc/02/44/44/170024444.db2.gz OWXDOIQDNMTEMH-OLZOCXBDSA-N 2 2 249.362 0.837 20 0 BCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCn1cncn1 ZINC000371924078 170024445 /nfs/dbraw/zinc/02/44/45/170024445.db2.gz OWXDOIQDNMTEMH-OLZOCXBDSA-N 2 2 249.362 0.837 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC(C)(C)OCCO)C1 ZINC000352495003 170029659 /nfs/dbraw/zinc/02/96/59/170029659.db2.gz HVEQGHHHEYMQPS-NEPJUHHUSA-N 2 2 244.379 0.704 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC(C)(C)OCCO)C1 ZINC000352495003 170029661 /nfs/dbraw/zinc/02/96/61/170029661.db2.gz HVEQGHHHEYMQPS-NEPJUHHUSA-N 2 2 244.379 0.704 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC000358236818 170029745 /nfs/dbraw/zinc/02/97/45/170029745.db2.gz ULZAJJVMFKKCMD-PWSUYJOCSA-N 2 2 239.363 0.442 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC000358236818 170029747 /nfs/dbraw/zinc/02/97/47/170029747.db2.gz ULZAJJVMFKKCMD-PWSUYJOCSA-N 2 2 239.363 0.442 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCC(=O)NC(C)C)C1 ZINC000358003522 170030283 /nfs/dbraw/zinc/03/02/83/170030283.db2.gz IRORQXPMWNZAOT-NEPJUHHUSA-N 2 2 241.379 0.831 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCC(=O)NC(C)C)C1 ZINC000358003522 170030284 /nfs/dbraw/zinc/03/02/84/170030284.db2.gz IRORQXPMWNZAOT-NEPJUHHUSA-N 2 2 241.379 0.831 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2ncn(C)n2)C1 ZINC000358393797 170030289 /nfs/dbraw/zinc/03/02/89/170030289.db2.gz ZXPKWPVYLFSHPD-MNOVXSKESA-N 2 2 237.351 0.287 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2ncn(C)n2)C1 ZINC000358393797 170030291 /nfs/dbraw/zinc/03/02/91/170030291.db2.gz ZXPKWPVYLFSHPD-MNOVXSKESA-N 2 2 237.351 0.287 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCNC(C)=O)C1 ZINC000336775882 170031662 /nfs/dbraw/zinc/03/16/62/170031662.db2.gz CZSBDIWDBRHRPZ-ZYHUDNBSSA-N 2 2 227.352 0.442 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCNC(C)=O)C1 ZINC000336775882 170031660 /nfs/dbraw/zinc/03/16/60/170031660.db2.gz CZSBDIWDBRHRPZ-ZYHUDNBSSA-N 2 2 227.352 0.442 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC000358236819 170031972 /nfs/dbraw/zinc/03/19/72/170031972.db2.gz ULZAJJVMFKKCMD-ZYHUDNBSSA-N 2 2 239.363 0.442 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC000358236819 170031974 /nfs/dbraw/zinc/03/19/74/170031974.db2.gz ULZAJJVMFKKCMD-ZYHUDNBSSA-N 2 2 239.363 0.442 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CCn2cncn2)[C@@H](C)C1 ZINC000336671748 170036173 /nfs/dbraw/zinc/03/61/73/170036173.db2.gz AAJDZKUYOLWVCY-QWRGUYRKSA-N 2 2 223.324 0.208 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2(O)CCC2)C1 ZINC000336760116 170036494 /nfs/dbraw/zinc/03/64/94/170036494.db2.gz LKRCVAIZYCRVSY-WDEREUQCSA-N 2 2 212.337 0.831 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2(O)CCC2)C1 ZINC000336760116 170036495 /nfs/dbraw/zinc/03/64/95/170036495.db2.gz LKRCVAIZYCRVSY-WDEREUQCSA-N 2 2 212.337 0.831 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](C)CO)C1 ZINC000336669342 170037890 /nfs/dbraw/zinc/03/78/90/170037890.db2.gz XRCUVPHCXYVFII-OUAUKWLOSA-N 2 2 200.326 0.545 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](C)CO)C1 ZINC000336669342 170037891 /nfs/dbraw/zinc/03/78/91/170037891.db2.gz XRCUVPHCXYVFII-OUAUKWLOSA-N 2 2 200.326 0.545 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](CO)CCOC)C1 ZINC000309919478 170037938 /nfs/dbraw/zinc/03/79/38/170037938.db2.gz REISMZCEDAODBI-QJPTWQEYSA-N 2 2 230.352 0.314 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](CO)CCOC)C1 ZINC000309919478 170037939 /nfs/dbraw/zinc/03/79/39/170037939.db2.gz REISMZCEDAODBI-QJPTWQEYSA-N 2 2 230.352 0.314 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](CCOC)COC)C1 ZINC000353638654 170038337 /nfs/dbraw/zinc/03/83/37/170038337.db2.gz BPDKBCPTHLBRPM-RWMBFGLXSA-N 2 2 244.379 0.968 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](CCOC)COC)C1 ZINC000353638654 170038339 /nfs/dbraw/zinc/03/83/39/170038339.db2.gz BPDKBCPTHLBRPM-RWMBFGLXSA-N 2 2 244.379 0.968 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](C)OC)C1 ZINC000308504191 170038361 /nfs/dbraw/zinc/03/83/61/170038361.db2.gz IAJGLAJPALTLGD-HBNTYKKESA-N 2 2 200.326 0.951 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](C)OC)C1 ZINC000308504191 170038363 /nfs/dbraw/zinc/03/83/63/170038363.db2.gz IAJGLAJPALTLGD-HBNTYKKESA-N 2 2 200.326 0.951 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](CO)C2CC2)C1 ZINC000309980763 170038669 /nfs/dbraw/zinc/03/86/69/170038669.db2.gz WBIIGFDAYHZGTG-WCFLWFBJSA-N 2 2 226.364 0.935 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](CO)C2CC2)C1 ZINC000309980763 170038670 /nfs/dbraw/zinc/03/86/70/170038670.db2.gz WBIIGFDAYHZGTG-WCFLWFBJSA-N 2 2 226.364 0.935 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCN(C(C)=O)C2)C1 ZINC000358266351 170039341 /nfs/dbraw/zinc/03/93/41/170039341.db2.gz MDKZDOAFXGSMKP-CYZMBNFOSA-N 2 2 239.363 0.537 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCN(C(C)=O)C2)C1 ZINC000358266351 170039342 /nfs/dbraw/zinc/03/93/42/170039342.db2.gz MDKZDOAFXGSMKP-CYZMBNFOSA-N 2 2 239.363 0.537 20 0 BCADLP CCNC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000271885450 170053964 /nfs/dbraw/zinc/05/39/64/170053964.db2.gz CWIWJVILFFJRPH-UHFFFAOYSA-N 2 2 224.308 0.341 20 0 BCADLP CCNC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000271885450 170053965 /nfs/dbraw/zinc/05/39/65/170053965.db2.gz CWIWJVILFFJRPH-UHFFFAOYSA-N 2 2 224.308 0.341 20 0 BCADLP CCNC(=O)C[N@H+](CC)CCc1c[nH+]cn1C ZINC000289302656 170056000 /nfs/dbraw/zinc/05/60/00/170056000.db2.gz IJBGMFOBLMBRLG-UHFFFAOYSA-N 2 2 238.335 0.421 20 0 BCADLP CCNC(=O)C[N@@H+](CC)CCc1c[nH+]cn1C ZINC000289302656 170056001 /nfs/dbraw/zinc/05/60/01/170056001.db2.gz IJBGMFOBLMBRLG-UHFFFAOYSA-N 2 2 238.335 0.421 20 0 BCADLP CCNC(=O)[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000035136240 170087560 /nfs/dbraw/zinc/08/75/60/170087560.db2.gz YUWOISRWZBYXFF-SNVBAGLBSA-N 2 2 227.352 0.585 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CC[C@]2(O)CCOC2)n1C ZINC000657499801 411536607 /nfs/dbraw/zinc/53/66/07/411536607.db2.gz DSHCEMKSKPJRAY-LBPRGKRZSA-N 2 2 239.319 0.360 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849724 411538096 /nfs/dbraw/zinc/53/80/96/411538096.db2.gz PPSVUWXJXLCTRI-WOPDTQHZSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849724 411538099 /nfs/dbraw/zinc/53/80/99/411538099.db2.gz PPSVUWXJXLCTRI-WOPDTQHZSA-N 2 2 239.363 0.857 20 0 BCADLP CC[NH2+]CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000178710702 170115712 /nfs/dbraw/zinc/11/57/12/170115712.db2.gz KDKXXNPJAYZPPB-UHFFFAOYSA-N 2 2 232.287 0.674 20 0 BCADLP CC[NH2+][C@@H](C)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000358934755 170140148 /nfs/dbraw/zinc/14/01/48/170140148.db2.gz LBLSRKPJYMGPSD-JGVFFNPUSA-N 2 2 235.278 0.098 20 0 BCADLP CCOC(=O)CC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000042430268 170206163 /nfs/dbraw/zinc/20/61/63/170206163.db2.gz RTRAFOQQJBBSFB-VIFPVBQESA-N 2 2 200.282 0.363 20 0 BCADLP CCOC(=O)CC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000042430268 170206165 /nfs/dbraw/zinc/20/61/65/170206165.db2.gz RTRAFOQQJBBSFB-VIFPVBQESA-N 2 2 200.282 0.363 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C/C=C\CO)C[N@@H+]1C1CC1 ZINC000657592180 411556662 /nfs/dbraw/zinc/55/66/62/411556662.db2.gz FEMXAJBFBKAPSB-UZAOFVRNSA-N 2 2 210.321 0.750 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C/C=C\CO)C[N@H+]1C1CC1 ZINC000657592180 411556664 /nfs/dbraw/zinc/55/66/64/411556664.db2.gz FEMXAJBFBKAPSB-UZAOFVRNSA-N 2 2 210.321 0.750 20 0 BCADLP CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531572 170247874 /nfs/dbraw/zinc/24/78/74/170247874.db2.gz AHTFHHMMPJOXTA-NXEZZACHSA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531572 170247875 /nfs/dbraw/zinc/24/78/75/170247875.db2.gz AHTFHHMMPJOXTA-NXEZZACHSA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000227082450 170249738 /nfs/dbraw/zinc/24/97/38/170249738.db2.gz HMGIPCTYFRHDPK-VHSXEESVSA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)[C@@H](CC)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000227082450 170249740 /nfs/dbraw/zinc/24/97/40/170249740.db2.gz HMGIPCTYFRHDPK-VHSXEESVSA-N 2 2 214.309 0.609 20 0 BCADLP OC/C=C/C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000657593573 411559279 /nfs/dbraw/zinc/55/92/79/411559279.db2.gz VLYHXJZHVGENOZ-OWOJBTEDSA-N 2 2 217.272 0.972 20 0 BCADLP OC/C=C/C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657593817 411559971 /nfs/dbraw/zinc/55/99/71/411559971.db2.gz LGJXZPDCOCMEGY-OWOJBTEDSA-N 2 2 207.277 0.467 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000250665020 170266884 /nfs/dbraw/zinc/26/68/84/170266884.db2.gz HSRAJVREWUPWBZ-KXUCPTDWSA-N 2 2 214.309 0.607 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000250665020 170266886 /nfs/dbraw/zinc/26/68/86/170266886.db2.gz HSRAJVREWUPWBZ-KXUCPTDWSA-N 2 2 214.309 0.607 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000250659789 170267497 /nfs/dbraw/zinc/26/74/97/170267497.db2.gz DRMIVXCDQFPZAR-UTLUCORTSA-N 2 2 214.309 0.607 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000250659789 170267498 /nfs/dbraw/zinc/26/74/98/170267498.db2.gz DRMIVXCDQFPZAR-UTLUCORTSA-N 2 2 214.309 0.607 20 0 BCADLP CCOCCC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336646897 170382167 /nfs/dbraw/zinc/38/21/67/170382167.db2.gz DILVSPICPKGJDC-WDEREUQCSA-N 2 2 200.326 0.953 20 0 BCADLP CCOCCC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336646897 170382169 /nfs/dbraw/zinc/38/21/69/170382169.db2.gz DILVSPICPKGJDC-WDEREUQCSA-N 2 2 200.326 0.953 20 0 BCADLP C[N@H+](C[C@H](O)C[NH2+]CCOCCF)C1CC1 ZINC000663376804 411640433 /nfs/dbraw/zinc/64/04/33/411640433.db2.gz MKVBKWIPQKSYKW-LLVKDONJSA-N 2 2 234.315 0.017 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH2+]CCOCCF)C1CC1 ZINC000663376804 411640435 /nfs/dbraw/zinc/64/04/35/411640435.db2.gz MKVBKWIPQKSYKW-LLVKDONJSA-N 2 2 234.315 0.017 20 0 BCADLP C[NH+](C)[C@@H]1CCC[N@H+](CCc2c[nH]nn2)CC1 ZINC000660415208 411582265 /nfs/dbraw/zinc/58/22/65/411582265.db2.gz BQHQROHKRHMICT-GFCCVEGCSA-N 2 2 237.351 0.763 20 0 BCADLP C[NH+](C)[C@@H]1CCC[N@@H+](CCc2c[nH]nn2)CC1 ZINC000660415208 411582267 /nfs/dbraw/zinc/58/22/67/411582267.db2.gz BQHQROHKRHMICT-GFCCVEGCSA-N 2 2 237.351 0.763 20 0 BCADLP C[NH+](C)[C@@H]1CCC[N@@H+](CCc2cn[nH]n2)CC1 ZINC000660415208 411582270 /nfs/dbraw/zinc/58/22/70/411582270.db2.gz BQHQROHKRHMICT-GFCCVEGCSA-N 2 2 237.351 0.763 20 0 BCADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCC(=O)N1 ZINC000657712124 411586060 /nfs/dbraw/zinc/58/60/60/411586060.db2.gz XCOJJWRFZKLONJ-NSHDSACASA-N 2 2 248.330 0.516 20 0 BCADLP c1n[nH]cc1CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660585270 411603977 /nfs/dbraw/zinc/60/39/77/411603977.db2.gz XWABZJPKPNBZEN-UHFFFAOYSA-N 2 2 217.276 0.665 20 0 BCADLP c1n[nH]cc1CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000660585270 411603979 /nfs/dbraw/zinc/60/39/79/411603979.db2.gz XWABZJPKPNBZEN-UHFFFAOYSA-N 2 2 217.276 0.665 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCn2cncc2C1 ZINC000660584222 411604218 /nfs/dbraw/zinc/60/42/18/411604218.db2.gz QZUIEPHYESTAAV-UHFFFAOYSA-N 2 2 231.303 0.675 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCn2cncc2C1 ZINC000660584222 411604219 /nfs/dbraw/zinc/60/42/19/411604219.db2.gz QZUIEPHYESTAAV-UHFFFAOYSA-N 2 2 231.303 0.675 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660584222 411604221 /nfs/dbraw/zinc/60/42/21/411604221.db2.gz QZUIEPHYESTAAV-UHFFFAOYSA-N 3 2 231.303 0.675 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000660584222 411604222 /nfs/dbraw/zinc/60/42/22/411604222.db2.gz QZUIEPHYESTAAV-UHFFFAOYSA-N 3 2 231.303 0.675 20 0 BCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cn1cncn1 ZINC000657821035 411607778 /nfs/dbraw/zinc/60/77/78/411607778.db2.gz PLOGAZUPXAXGGK-NWDGAFQWSA-N 2 2 237.351 0.741 20 0 BCADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cn1cncn1 ZINC000657821035 411607780 /nfs/dbraw/zinc/60/77/80/411607780.db2.gz PLOGAZUPXAXGGK-NWDGAFQWSA-N 2 2 237.351 0.741 20 0 BCADLP COCC1([NH2+]CCn2cc[nH+]c2)CCOCC1 ZINC000660634573 411610114 /nfs/dbraw/zinc/61/01/14/411610114.db2.gz RACHJCMIBYXAKA-UHFFFAOYSA-N 2 2 239.319 0.668 20 0 BCADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+]([C@@H]1CCNC1=O)C2 ZINC000660657461 411614375 /nfs/dbraw/zinc/61/43/75/411614375.db2.gz QGBFBGFQXRANNN-YPMHNXCESA-N 2 2 237.347 0.293 20 0 BCADLP C[N@H+]1CC[C@]2(C1)CCC[NH+]([C@@H]1CCNC1=O)C2 ZINC000660657461 411614377 /nfs/dbraw/zinc/61/43/77/411614377.db2.gz QGBFBGFQXRANNN-YPMHNXCESA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+]([C@@H]1CCNC1=O)C2 ZINC000660657461 411614379 /nfs/dbraw/zinc/61/43/79/411614379.db2.gz QGBFBGFQXRANNN-YPMHNXCESA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+]1CC[C@]2(C1)CCC[N@H+]([C@@H]1CCNC1=O)C2 ZINC000660657461 411614381 /nfs/dbraw/zinc/61/43/81/411614381.db2.gz QGBFBGFQXRANNN-YPMHNXCESA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCn2nccc21 ZINC000657876518 411614636 /nfs/dbraw/zinc/61/46/36/411614636.db2.gz XLDDVCQMNIJSCB-MNOVXSKESA-N 2 2 238.335 0.230 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663590809 411706990 /nfs/dbraw/zinc/70/69/90/411706990.db2.gz KZGGAQFTMSPEOW-LBPRGKRZSA-N 2 2 234.303 0.685 20 0 BCADLP Cc1cc(NC(=O)N[C@]2(C)CC[NH2+]C2)cc[nH+]1 ZINC000663592062 411707439 /nfs/dbraw/zinc/70/74/39/411707439.db2.gz RIUFCHQZJSFAFV-GFCCVEGCSA-N 2 2 234.303 0.685 20 0 BCADLP CC[C@H](C)[N@H+](CC)CC(=O)N1CC[NH+](C)CC1 ZINC000661105855 411710466 /nfs/dbraw/zinc/71/04/66/411710466.db2.gz JXTJSWWJCVQXKD-LBPRGKRZSA-N 2 2 241.379 0.881 20 0 BCADLP Cc1cc(NC[C@@H](C)[NH3+])nc(C2CC2)[nH+]1 ZINC000643036005 411649913 /nfs/dbraw/zinc/64/99/13/411649913.db2.gz DLTVZWKXSHCVLI-SSDOTTSWSA-N 2 2 206.293 1.422 20 0 BCADLP CNC(=O)[C@@H]1CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000660834138 411651571 /nfs/dbraw/zinc/65/15/71/411651571.db2.gz XRXAULGCGAXPEI-LLVKDONJSA-N 2 2 236.319 0.259 20 0 BCADLP CNC(=O)[C@@H]1CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000660834138 411651574 /nfs/dbraw/zinc/65/15/74/411651574.db2.gz XRXAULGCGAXPEI-LLVKDONJSA-N 2 2 236.319 0.259 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)Cc1n[nH]c(=O)o1 ZINC000660847453 411658131 /nfs/dbraw/zinc/65/81/31/411658131.db2.gz QPRVDEGPULXITN-UHFFFAOYSA-N 2 2 237.263 0.494 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1n[nH]c(=O)o1 ZINC000660847453 411658134 /nfs/dbraw/zinc/65/81/34/411658134.db2.gz QPRVDEGPULXITN-UHFFFAOYSA-N 2 2 237.263 0.494 20 0 BCADLP CC(C)C[C@H](C[NH3+])[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663495541 411669193 /nfs/dbraw/zinc/66/91/93/411669193.db2.gz YSVYXCYIOHDHLG-UTUOFQBUSA-N 3 2 211.353 0.559 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663496417 411669469 /nfs/dbraw/zinc/66/94/69/411669469.db2.gz VTOWAIOOCGSATD-SDDRHHMPSA-N 3 2 209.337 0.137 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663496417 411669472 /nfs/dbraw/zinc/66/94/72/411669472.db2.gz VTOWAIOOCGSATD-SDDRHHMPSA-N 3 2 209.337 0.137 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663493966 411672317 /nfs/dbraw/zinc/67/23/17/411672317.db2.gz FTKHTCWGDFOQAV-QNWHQSFQSA-N 3 2 223.364 0.655 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663493966 411672320 /nfs/dbraw/zinc/67/23/20/411672320.db2.gz FTKHTCWGDFOQAV-QNWHQSFQSA-N 3 2 223.364 0.655 20 0 BCADLP C([NH2+]CC12CC(C1)C[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000663497120 411678604 /nfs/dbraw/zinc/67/86/04/411678604.db2.gz CCDSRXSRHSVXTN-VOMCLLRMSA-N 3 2 209.337 0.328 20 0 BCADLP c1nc2cnccn2c1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497056 411679901 /nfs/dbraw/zinc/67/99/01/411679901.db2.gz ANYNIBIANOQTGR-UHFFFAOYSA-N 2 2 243.314 0.571 20 0 BCADLP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663498861 411682132 /nfs/dbraw/zinc/68/21/32/411682132.db2.gz URBSMIJXKUKRNY-SCVCMEIPSA-N 3 2 211.353 0.559 20 0 BCADLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663499980 411683255 /nfs/dbraw/zinc/68/32/55/411683255.db2.gz HOGIKCJQJLHLNH-IGJPJIBNSA-N 3 2 223.364 0.859 20 0 BCADLP Cn1nccc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663502639 411685679 /nfs/dbraw/zinc/68/56/79/411685679.db2.gz XIOMHQQHUPEPQL-UHFFFAOYSA-N 2 2 206.293 0.262 20 0 BCADLP Cn1c[nH+]cc1CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000314415417 411689627 /nfs/dbraw/zinc/68/96/27/411689627.db2.gz VHBJKQFEBWQNIW-VXGBXAGGSA-N 3 2 234.347 0.504 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000663508070 411689737 /nfs/dbraw/zinc/68/97/37/411689737.db2.gz HSUBWDSYXXARDW-NSHDSACASA-N 2 2 245.330 0.965 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cnc(N)s1 ZINC000663513425 411695352 /nfs/dbraw/zinc/69/53/52/411695352.db2.gz JVYMNILJBQRPEZ-ZCFIWIBFSA-N 2 2 200.311 0.423 20 0 BCADLP Cc1c[nH+]c(C)nc1NC[C@@H]1C[N@@H+](C)CCN1C ZINC000580605021 411735240 /nfs/dbraw/zinc/73/52/40/411735240.db2.gz GNMPRTHWBQONOQ-GFCCVEGCSA-N 2 2 249.362 0.751 20 0 BCADLP Cc1c[nH+]c(C)nc1NC[C@@H]1C[N@H+](C)CCN1C ZINC000580605021 411735244 /nfs/dbraw/zinc/73/52/44/411735244.db2.gz GNMPRTHWBQONOQ-GFCCVEGCSA-N 2 2 249.362 0.751 20 0 BCADLP Cc1c[nH+]c(C)nc1NCCn1cc[nH+]c1 ZINC000568413241 411735815 /nfs/dbraw/zinc/73/58/15/411735815.db2.gz ZNXNMLOQBWAWJV-UHFFFAOYSA-N 2 2 217.276 1.402 20 0 BCADLP Cc1cn2ccc(C(=O)N3CC[NH2+]CC3)cc2[nH+]1 ZINC000071552033 411746233 /nfs/dbraw/zinc/74/62/33/411746233.db2.gz ADXSSTPDAMJIKL-UHFFFAOYSA-N 2 2 244.298 0.688 20 0 BCADLP Cc1nc(NC[C@H](C)[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000450818633 411769487 /nfs/dbraw/zinc/76/94/87/411769487.db2.gz ISICCKHBJURTHF-QMMMGPOBSA-N 2 2 238.339 0.608 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1COCCO1 ZINC000661611716 411816283 /nfs/dbraw/zinc/81/62/83/411816283.db2.gz MYNMHAROSDCSDL-LBPRGKRZSA-N 2 2 239.319 0.620 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1COCCO1 ZINC000661611716 411816285 /nfs/dbraw/zinc/81/62/85/411816285.db2.gz MYNMHAROSDCSDL-LBPRGKRZSA-N 2 2 239.319 0.620 20 0 BCADLP C[C@@H]([NH3+])CNc1nc[nH+]c2c1OCCN2 ZINC000634808844 411820517 /nfs/dbraw/zinc/82/05/17/411820517.db2.gz DKODLMPQYHQBJC-ZCFIWIBFSA-N 2 2 209.253 0.040 20 0 BCADLP C[C@@H]([NH2+]CCNc1cnccn1)[C@H]1CCC[NH2+]1 ZINC000566849768 411829572 /nfs/dbraw/zinc/82/95/72/411829572.db2.gz DAZDOIVCBDPBLV-GHMZBOCLSA-N 2 2 235.335 0.619 20 0 BCADLP C[NH2+]C1CC[NH+](Cc2cnc(N)s2)CC1 ZINC000381030802 411902179 /nfs/dbraw/zinc/90/21/79/411902179.db2.gz AFSBVNAQMMEIOK-UHFFFAOYSA-N 2 2 226.349 0.909 20 0 BCADLP CCCCNc1cc(N[C@@H](C)C[NH3+])nc(N)[nH+]1 ZINC000420239951 411902478 /nfs/dbraw/zinc/90/24/78/411902478.db2.gz GKKTUCAZHBHGFO-QMMMGPOBSA-N 2 2 238.339 0.452 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cnc(N)s1 ZINC000414932964 411907459 /nfs/dbraw/zinc/90/74/59/411907459.db2.gz RNLPJOXPPIJMLQ-VXNVDRBHSA-N 2 2 226.349 0.813 20 0 BCADLP C[C@@H]1CN(Cc2cc[nH+]c(N)c2)CC[NH2+]1 ZINC000420283229 411908984 /nfs/dbraw/zinc/90/89/84/411908984.db2.gz BSICFHQKRDZTFR-SECBINFHSA-N 2 2 206.293 0.458 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000582003459 411915283 /nfs/dbraw/zinc/91/52/83/411915283.db2.gz KSBOIKWDKLLZPB-IONNQARKSA-N 2 2 220.276 0.600 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000661968447 411925048 /nfs/dbraw/zinc/92/50/48/411925048.db2.gz YAIROVOXBWAVCQ-UPJWGTAASA-N 2 2 242.363 0.267 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000661968447 411925051 /nfs/dbraw/zinc/92/50/51/411925051.db2.gz YAIROVOXBWAVCQ-UPJWGTAASA-N 2 2 242.363 0.267 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661968447 411925055 /nfs/dbraw/zinc/92/50/55/411925055.db2.gz YAIROVOXBWAVCQ-UPJWGTAASA-N 2 2 242.363 0.267 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661968447 411925058 /nfs/dbraw/zinc/92/50/58/411925058.db2.gz YAIROVOXBWAVCQ-UPJWGTAASA-N 2 2 242.363 0.267 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1ccnc(N)c1 ZINC000631863402 411930361 /nfs/dbraw/zinc/93/03/61/411930361.db2.gz ZUBZHWSHXLNMFU-WCBMZHEXSA-N 2 2 206.293 0.585 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1Cc1ccnc(N)c1 ZINC000631863402 411930366 /nfs/dbraw/zinc/93/03/66/411930366.db2.gz ZUBZHWSHXLNMFU-WCBMZHEXSA-N 2 2 206.293 0.585 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CN1Cc1cc[nH+]c(N)c1 ZINC000631863402 411930371 /nfs/dbraw/zinc/93/03/71/411930371.db2.gz ZUBZHWSHXLNMFU-WCBMZHEXSA-N 2 2 206.293 0.585 20 0 BCADLP C[C@H]1CN(Cc2cc[nH+]c(N)c2)C[C@H](C)[NH2+]1 ZINC000420287984 411930467 /nfs/dbraw/zinc/93/04/67/411930467.db2.gz GWLSLAONQKEWFA-UWVGGRQHSA-N 2 2 220.320 0.846 20 0 BCADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccnc(N)c1 ZINC000631863403 411932377 /nfs/dbraw/zinc/93/23/77/411932377.db2.gz ZUBZHWSHXLNMFU-WPRPVWTQSA-N 2 2 206.293 0.585 20 0 BCADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccnc(N)c1 ZINC000631863403 411932380 /nfs/dbraw/zinc/93/23/80/411932380.db2.gz ZUBZHWSHXLNMFU-WPRPVWTQSA-N 2 2 206.293 0.585 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CN1Cc1cc[nH+]c(N)c1 ZINC000631863403 411932383 /nfs/dbraw/zinc/93/23/83/411932383.db2.gz ZUBZHWSHXLNMFU-WPRPVWTQSA-N 2 2 206.293 0.585 20 0 BCADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(N)nc1 ZINC000647546446 411872375 /nfs/dbraw/zinc/87/23/75/411872375.db2.gz KNDKANNUJGSPSF-NSHDSACASA-N 2 2 222.336 1.127 20 0 BCADLP CN(Cc1cc[nH+]c(N)c1)[C@H]1CC[NH2+]C1 ZINC000573803087 411884704 /nfs/dbraw/zinc/88/47/04/411884704.db2.gz HIEKSCDRDBHWIJ-JTQLQIEISA-N 2 2 206.293 0.458 20 0 BCADLP Cc1nc(N2CC[C@H]([NH+]3CC=CC3)C2)nc(N)[nH+]1 ZINC000631131269 411963796 /nfs/dbraw/zinc/96/37/96/411963796.db2.gz UAVUPYLLDUPOQM-JTQLQIEISA-N 2 2 246.318 0.213 20 0 BCADLP Cc1nc(N2CC[C@H]3CC[N@@H+](C)C[C@H]32)nc(N)[nH+]1 ZINC000631199820 411963978 /nfs/dbraw/zinc/96/39/78/411963978.db2.gz VRBYCTUMDYJROM-NXEZZACHSA-N 2 2 248.334 0.293 20 0 BCADLP Cc1nc(N2CC[C@H]3CC[N@H+](C)C[C@H]32)nc(N)[nH+]1 ZINC000631199820 411963982 /nfs/dbraw/zinc/96/39/82/411963982.db2.gz VRBYCTUMDYJROM-NXEZZACHSA-N 2 2 248.334 0.293 20 0 BCADLP Nc1ncc(C[NH2+][C@H]2CCCC[NH2+]C2)s1 ZINC000415070481 411964960 /nfs/dbraw/zinc/96/49/60/411964960.db2.gz ITQJARKVRDDFPQ-QMMMGPOBSA-N 2 2 226.349 0.957 20 0 BCADLP Nc1cc(C[N@@H+]2CCC[C@@H]2C[NH3+])ccn1 ZINC000565834291 411975601 /nfs/dbraw/zinc/97/56/01/411975601.db2.gz FPLWUEALQWDZSB-SNVBAGLBSA-N 2 2 206.293 0.587 20 0 BCADLP Nc1cc(C[N@H+]2CCC[C@@H]2C[NH3+])ccn1 ZINC000565834291 411975605 /nfs/dbraw/zinc/97/56/05/411975605.db2.gz FPLWUEALQWDZSB-SNVBAGLBSA-N 2 2 206.293 0.587 20 0 BCADLP Nc1ccc(NC(=O)CC2(C[NH3+])CC2)c[nH+]1 ZINC000579110285 411976435 /nfs/dbraw/zinc/97/64/35/411976435.db2.gz BXMSCTUBBNOZJG-UHFFFAOYSA-N 2 2 220.276 0.731 20 0 BCADLP Nc1cc(C[N@@H+]2CCCC[C@@H]2C[NH3+])ccn1 ZINC000420288476 411977359 /nfs/dbraw/zinc/97/73/59/411977359.db2.gz HCEDXFNKNGWJOR-LLVKDONJSA-N 2 2 220.320 0.977 20 0 BCADLP Nc1cc(C[N@H+]2CCCC[C@@H]2C[NH3+])ccn1 ZINC000420288476 411977361 /nfs/dbraw/zinc/97/73/61/411977361.db2.gz HCEDXFNKNGWJOR-LLVKDONJSA-N 2 2 220.320 0.977 20 0 BCADLP c1cn(CC[N@@H+]2CC[C@H]3COC[C@@H]3C2)c[nH+]1 ZINC000662030920 411948777 /nfs/dbraw/zinc/94/87/77/411948777.db2.gz BICCWFOEOFZTHS-RYUDHWBXSA-N 2 2 221.304 0.851 20 0 BCADLP c1cn(CC[N@H+]2CC[C@H]3COC[C@@H]3C2)c[nH+]1 ZINC000662030920 411948779 /nfs/dbraw/zinc/94/87/79/411948779.db2.gz BICCWFOEOFZTHS-RYUDHWBXSA-N 2 2 221.304 0.851 20 0 BCADLP Nc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cn1 ZINC000647546565 411958569 /nfs/dbraw/zinc/95/85/69/411958569.db2.gz PMGFNSPCYLFOBU-JTQLQIEISA-N 2 2 206.293 0.505 20 0 BCADLP Nc1ncc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)s1 ZINC000647542305 411960547 /nfs/dbraw/zinc/96/05/47/411960547.db2.gz NBDIRBNEPOWKDX-WPRPVWTQSA-N 2 2 238.360 0.909 20 0 BCADLP Nc1ncc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)s1 ZINC000647542305 411960550 /nfs/dbraw/zinc/96/05/50/411960550.db2.gz NBDIRBNEPOWKDX-WPRPVWTQSA-N 2 2 238.360 0.909 20 0 BCADLP Nc1ccc(NC(=O)[C@]23C[C@H]2CC[NH2+]3)c[nH+]1 ZINC000575861102 411961864 /nfs/dbraw/zinc/96/18/64/411961864.db2.gz CAEJNXUIHICTHT-HQJQHLMTSA-N 2 2 218.260 0.354 20 0 BCADLP Nc1ncc(C[NH2+]C[C@@H]([NH3+])C2CC2)s1 ZINC000567870974 411963569 /nfs/dbraw/zinc/96/35/69/411963569.db2.gz CJPVRWUGBAIAAY-MRVPVSSYSA-N 2 2 212.322 0.552 20 0 BCADLP Cc1cc(C[NH+]2CCC([NH3+])CC2)ncn1 ZINC000662240573 412037549 /nfs/dbraw/zinc/03/75/49/412037549.db2.gz KJVHSCOBEZRZLU-UHFFFAOYSA-N 2 2 206.293 0.708 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662245116 412040708 /nfs/dbraw/zinc/04/07/08/412040708.db2.gz KOEIUCSQBFPCBY-RYUDHWBXSA-N 3 2 239.363 0.191 20 0 BCADLP Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](C[NH3+])C2)[nH]1 ZINC000662245876 412043453 /nfs/dbraw/zinc/04/34/53/412043453.db2.gz VFCYHBUJTZCSFA-CBAPKCEASA-N 2 2 209.297 0.455 20 0 BCADLP Cc1nnc([C@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)[nH]1 ZINC000662245876 412043454 /nfs/dbraw/zinc/04/34/54/412043454.db2.gz VFCYHBUJTZCSFA-CBAPKCEASA-N 2 2 209.297 0.455 20 0 BCADLP Cc1nnc([C@@H](C)[N@@H+]2CC[C@@H](C[NH3+])C2)[nH]1 ZINC000662245875 412043768 /nfs/dbraw/zinc/04/37/68/412043768.db2.gz VFCYHBUJTZCSFA-APPZFPTMSA-N 2 2 209.297 0.455 20 0 BCADLP Cc1nnc([C@@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)[nH]1 ZINC000662245875 412043769 /nfs/dbraw/zinc/04/37/69/412043769.db2.gz VFCYHBUJTZCSFA-APPZFPTMSA-N 2 2 209.297 0.455 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H](COC)OC ZINC000662247060 412044428 /nfs/dbraw/zinc/04/44/28/412044428.db2.gz XSPZWNJITUKYPM-GHMZBOCLSA-N 2 2 216.325 0.332 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H](COC)OC ZINC000662247060 412044432 /nfs/dbraw/zinc/04/44/32/412044432.db2.gz XSPZWNJITUKYPM-GHMZBOCLSA-N 2 2 216.325 0.332 20 0 BCADLP CC(C)C[C@@H]1COCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662254253 412048256 /nfs/dbraw/zinc/04/82/56/412048256.db2.gz GLLGMJQATZZZSB-CHWSQXEVSA-N 2 2 242.363 0.722 20 0 BCADLP CC(C)C[C@@H]1COCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662254253 412048261 /nfs/dbraw/zinc/04/82/61/412048261.db2.gz GLLGMJQATZZZSB-CHWSQXEVSA-N 2 2 242.363 0.722 20 0 BCADLP CCCC[N@H+](CCOC)C[C@H]1C[NH2+]CCO1 ZINC000662254935 412048691 /nfs/dbraw/zinc/04/86/91/412048691.db2.gz MXMIHXGEIYKWMP-GFCCVEGCSA-N 2 2 230.352 0.723 20 0 BCADLP CCCC[N@@H+](CCOC)C[C@H]1C[NH2+]CCO1 ZINC000662254935 412048696 /nfs/dbraw/zinc/04/86/96/412048696.db2.gz MXMIHXGEIYKWMP-GFCCVEGCSA-N 2 2 230.352 0.723 20 0 BCADLP COCC[N@H+](C[C@@H]1C[NH2+]CCO1)C1CCCC1 ZINC000662257387 412051662 /nfs/dbraw/zinc/05/16/62/412051662.db2.gz NGSSJZLKWLQPEI-ZDUSSCGKSA-N 2 2 242.363 0.866 20 0 BCADLP COCC[N@@H+](C[C@@H]1C[NH2+]CCO1)C1CCCC1 ZINC000662257387 412051666 /nfs/dbraw/zinc/05/16/66/412051666.db2.gz NGSSJZLKWLQPEI-ZDUSSCGKSA-N 2 2 242.363 0.866 20 0 BCADLP Cc1nnc([C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)[nH]1 ZINC000662265921 412058363 /nfs/dbraw/zinc/05/83/63/412058363.db2.gz UBMPXIHTHOCCOZ-OYNCUSHFSA-N 2 2 223.324 0.843 20 0 BCADLP Cc1nnc([C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)[nH]1 ZINC000662265921 412058367 /nfs/dbraw/zinc/05/83/67/412058367.db2.gz UBMPXIHTHOCCOZ-OYNCUSHFSA-N 2 2 223.324 0.843 20 0 BCADLP Cc1nnc([C@@H](C)[N@@H+]2CC[C@](C)(C[NH3+])C2)[nH]1 ZINC000662271455 412062187 /nfs/dbraw/zinc/06/21/87/412062187.db2.gz HFJZOTXEPPKGFL-LDYMZIIASA-N 2 2 223.324 0.845 20 0 BCADLP Cc1nnc([C@@H](C)[N@H+]2CC[C@](C)(C[NH3+])C2)[nH]1 ZINC000662271455 412062190 /nfs/dbraw/zinc/06/21/90/412062190.db2.gz HFJZOTXEPPKGFL-LDYMZIIASA-N 2 2 223.324 0.845 20 0 BCADLP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H](C[NH3+])C1CC1 ZINC000662272653 412062289 /nfs/dbraw/zinc/06/22/89/412062289.db2.gz HKNOYPGYDJQYOJ-RYUDHWBXSA-N 3 2 239.363 0.177 20 0 BCADLP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H](C[NH3+])C1CC1 ZINC000662272653 412062292 /nfs/dbraw/zinc/06/22/92/412062292.db2.gz HKNOYPGYDJQYOJ-RYUDHWBXSA-N 3 2 239.363 0.177 20 0 BCADLP CCN1CC[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000662274403 412065677 /nfs/dbraw/zinc/06/56/77/412065677.db2.gz TWPRHKZPZJLVEF-TUAOUCFPSA-N 2 2 237.347 0.291 20 0 BCADLP CCN1CC[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000662274403 412065680 /nfs/dbraw/zinc/06/56/80/412065680.db2.gz TWPRHKZPZJLVEF-TUAOUCFPSA-N 2 2 237.347 0.291 20 0 BCADLP CCN1CC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000662274405 412065773 /nfs/dbraw/zinc/06/57/73/412065773.db2.gz TWPRHKZPZJLVEF-WOPDTQHZSA-N 2 2 237.347 0.291 20 0 BCADLP CCN1CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000662274405 412065777 /nfs/dbraw/zinc/06/57/77/412065777.db2.gz TWPRHKZPZJLVEF-WOPDTQHZSA-N 2 2 237.347 0.291 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000290052646 171149388 /nfs/dbraw/zinc/14/93/88/171149388.db2.gz HGPBDLWLPNGNIK-ZJUUUORDSA-N 2 2 236.319 0.722 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000662280054 412071256 /nfs/dbraw/zinc/07/12/56/412071256.db2.gz XOIKGCUODFNNFR-NWDGAFQWSA-N 2 2 226.320 0.086 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCOC[C@@H]1C1CC1 ZINC000662280054 412071257 /nfs/dbraw/zinc/07/12/57/412071257.db2.gz XOIKGCUODFNNFR-NWDGAFQWSA-N 2 2 226.320 0.086 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCOC[C@H]1C1CC1 ZINC000662280056 412071276 /nfs/dbraw/zinc/07/12/76/412071276.db2.gz XOIKGCUODFNNFR-RYUDHWBXSA-N 2 2 226.320 0.086 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCOC[C@H]1C1CC1 ZINC000662280056 412071278 /nfs/dbraw/zinc/07/12/78/412071278.db2.gz XOIKGCUODFNNFR-RYUDHWBXSA-N 2 2 226.320 0.086 20 0 BCADLP [NH3+]CC[N@H+](C[C@H](O)CO)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000662285455 412076804 /nfs/dbraw/zinc/07/68/04/412076804.db2.gz BBZRZQVMYCSDKY-NDBYEHHHSA-N 2 2 242.363 0.037 20 0 BCADLP [NH3+]CC[N@@H+](C[C@H](O)CO)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000662285455 412076810 /nfs/dbraw/zinc/07/68/10/412076810.db2.gz BBZRZQVMYCSDKY-NDBYEHHHSA-N 2 2 242.363 0.037 20 0 BCADLP CC[C@@]1(C(=O)Nc2ccc(N)[nH+]c2)CC[NH2+]C1 ZINC000119225419 171198138 /nfs/dbraw/zinc/19/81/38/171198138.db2.gz YGKYEWBJMRDZFZ-GFCCVEGCSA-N 2 2 234.303 0.992 20 0 BCADLP FC1(F)C[C@@]12CC[N@H+](C[C@@H]1C[NH2+]CCO1)C2 ZINC000662285140 412077398 /nfs/dbraw/zinc/07/73/98/412077398.db2.gz XWAQOEQQAWNTMV-VHSXEESVSA-N 2 2 232.274 0.706 20 0 BCADLP FC1(F)C[C@@]12CC[N@@H+](C[C@@H]1C[NH2+]CCO1)C2 ZINC000662285140 412077401 /nfs/dbraw/zinc/07/74/01/412077401.db2.gz XWAQOEQQAWNTMV-VHSXEESVSA-N 2 2 232.274 0.706 20 0 BCADLP CC[NH+](CC)CCC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285101 412077497 /nfs/dbraw/zinc/07/74/97/412077497.db2.gz WOEZFLKDOSRUFI-UHFFFAOYSA-N 3 2 243.395 0.422 20 0 BCADLP Cc1cc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)ncn1 ZINC000662281297 412072232 /nfs/dbraw/zinc/07/22/32/412072232.db2.gz MHMRADSFXFEECN-LBPRGKRZSA-N 2 2 236.319 0.335 20 0 BCADLP Cc1cc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)ncn1 ZINC000662281297 412072237 /nfs/dbraw/zinc/07/22/37/412072237.db2.gz MHMRADSFXFEECN-LBPRGKRZSA-N 2 2 236.319 0.335 20 0 BCADLP CC[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842234 171242724 /nfs/dbraw/zinc/24/27/24/171242724.db2.gz OTGRPABLCJZRAA-GHMZBOCLSA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842234 171242725 /nfs/dbraw/zinc/24/27/25/171242725.db2.gz OTGRPABLCJZRAA-GHMZBOCLSA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@H](C(N)=O)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842234 171242726 /nfs/dbraw/zinc/24/27/26/171242726.db2.gz OTGRPABLCJZRAA-GHMZBOCLSA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@H](C(N)=O)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842234 171242727 /nfs/dbraw/zinc/24/27/27/171242727.db2.gz OTGRPABLCJZRAA-GHMZBOCLSA-N 2 2 227.352 0.524 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000662314658 412095912 /nfs/dbraw/zinc/09/59/12/412095912.db2.gz AIWBZLNTJQKJPP-MNOVXSKESA-N 2 2 225.336 0.278 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000662314658 412095913 /nfs/dbraw/zinc/09/59/13/412095913.db2.gz AIWBZLNTJQKJPP-MNOVXSKESA-N 2 2 225.336 0.278 20 0 BCADLP c1cnc2c(n1)CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000662317424 412099162 /nfs/dbraw/zinc/09/91/62/412099162.db2.gz OZARZMTVGXYPIM-LLVKDONJSA-N 2 2 232.331 0.834 20 0 BCADLP c1cnc2c(n1)CC[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000662317424 412099166 /nfs/dbraw/zinc/09/91/66/412099166.db2.gz OZARZMTVGXYPIM-LLVKDONJSA-N 2 2 232.331 0.834 20 0 BCADLP NC(=O)c1cccc2c1CC[N@H+](CCC[NH3+])C2 ZINC000662326794 412104241 /nfs/dbraw/zinc/10/42/41/412104241.db2.gz CCSHYERXYKKJSO-UHFFFAOYSA-N 2 2 233.315 0.492 20 0 BCADLP NC(=O)c1cccc2c1CC[N@@H+](CCC[NH3+])C2 ZINC000662326794 412104244 /nfs/dbraw/zinc/10/42/44/412104244.db2.gz CCSHYERXYKKJSO-UHFFFAOYSA-N 2 2 233.315 0.492 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662328061 412104252 /nfs/dbraw/zinc/10/42/52/412104252.db2.gz YDDHFFSQNJBQQE-UHFFFAOYSA-N 2 2 247.342 0.753 20 0 BCADLP C[NH2+]CCC[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662328061 412104255 /nfs/dbraw/zinc/10/42/55/412104255.db2.gz YDDHFFSQNJBQQE-UHFFFAOYSA-N 2 2 247.342 0.753 20 0 BCADLP C[C@]1(C(F)F)C[N@H+](CCOCC[NH3+])CCO1 ZINC000662335217 412106851 /nfs/dbraw/zinc/10/68/51/412106851.db2.gz HHOXANRRECZTSA-SNVBAGLBSA-N 2 2 238.278 0.318 20 0 BCADLP C[C@]1(C(F)F)C[N@@H+](CCOCC[NH3+])CCO1 ZINC000662335217 412106853 /nfs/dbraw/zinc/10/68/53/412106853.db2.gz HHOXANRRECZTSA-SNVBAGLBSA-N 2 2 238.278 0.318 20 0 BCADLP Cn1cc[nH+]c1-c1ccc(C(=O)NCC[NH3+])nc1 ZINC000665181252 412122346 /nfs/dbraw/zinc/12/23/46/412122346.db2.gz MZSKDWVTTHSQII-UHFFFAOYSA-N 2 2 245.286 0.171 20 0 BCADLP CC(C)[NH2+]CC(=O)NCc1cn2ccccc2[nH+]1 ZINC000662358186 412123943 /nfs/dbraw/zinc/12/39/43/412123943.db2.gz KPOHQOBAXKJFLG-UHFFFAOYSA-N 2 2 246.314 0.949 20 0 BCADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000665237070 412177148 /nfs/dbraw/zinc/17/71/48/412177148.db2.gz ZMGCJYKRZLBZRV-XKNYDFJKSA-N 2 2 223.324 0.999 20 0 BCADLP CC[C@@H]([NH2+]C)C(=O)Nc1cc[nH+]cc1O ZINC000662452202 412179504 /nfs/dbraw/zinc/17/95/04/412179504.db2.gz JKDNNUJVMKYBFP-SSDOTTSWSA-N 2 2 209.249 0.146 20 0 BCADLP CC[C@@H](N[C@H]1CC[NH2+]C1)c1[nH+]ccn1C ZINC000665243079 412186479 /nfs/dbraw/zinc/18/64/79/412186479.db2.gz VGHCCSLPAOBHBL-VHSXEESVSA-N 2 2 208.309 0.823 20 0 BCADLP CO[C@@H](C)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000665244372 412189596 /nfs/dbraw/zinc/18/95/96/412189596.db2.gz LYTFZAUGFMREEX-VWYCJHECSA-N 2 2 216.325 0.378 20 0 BCADLP CO[C@@H](C)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000665244809 412189704 /nfs/dbraw/zinc/18/97/04/412189704.db2.gz XEZWZOAZKQXGMH-DLOVCJGASA-N 2 2 228.336 0.378 20 0 BCADLP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1([NH3+])CCCC1 ZINC000665246731 412190422 /nfs/dbraw/zinc/19/04/22/412190422.db2.gz MNJYGFOLLIXIJW-TUAOUCFPSA-N 3 2 241.379 0.600 20 0 BCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1([NH3+])CCCC1 ZINC000665246579 412190822 /nfs/dbraw/zinc/19/08/22/412190822.db2.gz JCJNYMYYTLKRTF-NWDGAFQWSA-N 3 2 241.379 0.615 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1([NH3+])CCCC1 ZINC000665246578 412191628 /nfs/dbraw/zinc/19/16/28/412191628.db2.gz JCJNYMYYTLKRTF-NEPJUHHUSA-N 3 2 241.379 0.615 20 0 BCADLP CC[C@H]([NH2+]C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000662502722 412197661 /nfs/dbraw/zinc/19/76/61/412197661.db2.gz BKZABPAJNUZACV-NSHDSACASA-N 2 2 238.335 0.730 20 0 BCADLP CC[C@@H](O)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000665261417 412204577 /nfs/dbraw/zinc/20/45/77/412204577.db2.gz BWEHDPWQHLZVAF-WOPDTQHZSA-N 2 2 228.336 0.114 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@@H]([NH3+])COC(C)C ZINC000662529188 412206200 /nfs/dbraw/zinc/20/62/00/412206200.db2.gz QYAMEKPVALFFND-JTQLQIEISA-N 2 2 237.303 0.503 20 0 BCADLP C[NH+](C)C1(CNc2[nH+]cnc3[nH]ccc32)CC1 ZINC000419011711 412152487 /nfs/dbraw/zinc/15/24/87/412152487.db2.gz SZJQVFUWESSKDB-UHFFFAOYSA-N 2 2 231.303 1.464 20 0 BCADLP CN(C)c1ccc(CNC(=O)CC2([NH3+])CC2)c[nH+]1 ZINC000662679359 412268629 /nfs/dbraw/zinc/26/86/29/412268629.db2.gz MYNZZCNHCGUIFV-UHFFFAOYSA-N 2 2 248.330 0.645 20 0 BCADLP CCS(=O)(=O)C1(C[NH2+][C@H]2CCC[C@H]2[NH3+])CC1 ZINC000665275369 412219764 /nfs/dbraw/zinc/21/97/64/412219764.db2.gz JENKJFOBPCRORZ-ZJUUUORDSA-N 2 2 246.376 0.423 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279463 412223152 /nfs/dbraw/zinc/22/31/52/412223152.db2.gz CWYCGTSFHGKZFI-CQLXCSJHSA-N 3 2 239.363 0.095 20 0 BCADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279842 412223455 /nfs/dbraw/zinc/22/34/55/412223455.db2.gz NMEJCWXQNBAGQB-GMKTYKIGSA-N 3 2 223.364 0.716 20 0 BCADLP c1cn2c([nH+]1)[C@@H](NCC13CC(C1)C[NH2+]3)CC2 ZINC000665280336 412225103 /nfs/dbraw/zinc/22/51/03/412225103.db2.gz ZDLGGVAWJGNELQ-YZRBJQDESA-N 2 2 218.304 0.670 20 0 BCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662584532 412228675 /nfs/dbraw/zinc/22/86/75/412228675.db2.gz CMDXHGSYYYPWMX-SCZZXKLOSA-N 2 2 224.308 0.742 20 0 BCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662584532 412228678 /nfs/dbraw/zinc/22/86/78/412228678.db2.gz CMDXHGSYYYPWMX-SCZZXKLOSA-N 2 2 224.308 0.742 20 0 BCADLP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000665283491 412229620 /nfs/dbraw/zinc/22/96/20/412229620.db2.gz OTHVHKQPKDQQPG-JHJVBQTASA-N 3 2 243.395 0.716 20 0 BCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662585782 412230187 /nfs/dbraw/zinc/23/01/87/412230187.db2.gz LQESTBLNGDUMGD-WDEREUQCSA-N 2 2 236.319 0.756 20 0 BCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662585782 412230189 /nfs/dbraw/zinc/23/01/89/412230189.db2.gz LQESTBLNGDUMGD-WDEREUQCSA-N 2 2 236.319 0.756 20 0 BCADLP CC(C)C[C@H]([NH3+])C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662585516 412230392 /nfs/dbraw/zinc/23/03/92/412230392.db2.gz JPQUNYAKMCISOP-JTQLQIEISA-N 2 2 224.308 0.742 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C1(C[NH3+])CCCC1 ZINC000662586656 412231140 /nfs/dbraw/zinc/23/11/40/412231140.db2.gz XVFWWJSBSJSYQP-UHFFFAOYSA-N 2 2 236.319 0.887 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C1(C[NH3+])CCCC1 ZINC000662586656 412231144 /nfs/dbraw/zinc/23/11/44/412231144.db2.gz XVFWWJSBSJSYQP-UHFFFAOYSA-N 2 2 236.319 0.887 20 0 BCADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)C[NH2+]C ZINC000665294773 412240787 /nfs/dbraw/zinc/24/07/87/412240787.db2.gz WJLBUOHMWKLBPN-QWRGUYRKSA-N 2 2 229.368 0.831 20 0 BCADLP C[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)S(C)(=O)=O ZINC000665299539 412245970 /nfs/dbraw/zinc/24/59/70/412245970.db2.gz OUDMPECMMUYSCS-OPRDCNLKSA-N 2 2 234.365 0.150 20 0 BCADLP C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])S(C)(=O)=O ZINC000665299360 412246463 /nfs/dbraw/zinc/24/64/63/412246463.db2.gz LOGGIEJSIWQPLM-VWYCJHECSA-N 2 2 248.392 0.669 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCOCCF ZINC000665298890 412247619 /nfs/dbraw/zinc/24/76/19/412247619.db2.gz BUVBBIOHWFAGQD-UWVGGRQHSA-N 2 2 204.289 0.560 20 0 BCADLP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)c2ccccc21 ZINC000665299315 412247777 /nfs/dbraw/zinc/24/77/77/412247777.db2.gz KFMJROIAFGJNQK-SDDRHHMPSA-N 2 2 231.299 0.609 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000662839369 412317047 /nfs/dbraw/zinc/31/70/47/412317047.db2.gz QNFKSLRIZHNWOC-JTQLQIEISA-N 2 2 222.292 0.510 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000662839369 412317049 /nfs/dbraw/zinc/31/70/49/412317049.db2.gz QNFKSLRIZHNWOC-JTQLQIEISA-N 2 2 222.292 0.510 20 0 BCADLP CC(C)c1nc(NC[C@H]2C[NH2+]C[C@H]2O)cc[nH+]1 ZINC000420245148 412322846 /nfs/dbraw/zinc/32/28/46/412322846.db2.gz DXMDCVLAYJMWCM-NXEZZACHSA-N 2 2 236.319 0.592 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)C1([NH+](C)C)CC1 ZINC000665473606 412331995 /nfs/dbraw/zinc/33/19/95/412331995.db2.gz HVSMXVPMWGMHTD-UHFFFAOYSA-N 2 2 236.319 0.473 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H](C)[NH3+] ZINC000662899996 412339489 /nfs/dbraw/zinc/33/94/89/412339489.db2.gz JXEDAQAQOKGZEB-YUMQZZPRSA-N 2 2 210.281 0.427 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)C1(C)C[NH2+]C1 ZINC000662901193 412339504 /nfs/dbraw/zinc/33/95/04/412339504.db2.gz FKOUKRYDOSUADA-SECBINFHSA-N 2 2 236.319 0.690 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)COCC[NH3+] ZINC000662901312 412340057 /nfs/dbraw/zinc/34/00/57/412340057.db2.gz YFVAEWQKRPCZSY-VIFPVBQESA-N 2 2 240.307 0.056 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)CCC[NH3+] ZINC000662900618 412340186 /nfs/dbraw/zinc/34/01/86/412340186.db2.gz RQNUFDBUDZQLHU-SECBINFHSA-N 2 2 224.308 0.819 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000662901325 412340855 /nfs/dbraw/zinc/34/08/55/412340855.db2.gz YNCCISJBYQUJJG-UKKRHICBSA-N 2 2 248.330 0.546 20 0 BCADLP CC(C)[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000662917219 412345145 /nfs/dbraw/zinc/34/51/45/412345145.db2.gz LEQSTEWRDAATIK-NWDGAFQWSA-N 2 2 241.379 0.816 20 0 BCADLP CC(C)CC1(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000662926521 412347043 /nfs/dbraw/zinc/34/70/43/412347043.db2.gz UQJARRPHSVTWJS-NSHDSACASA-N 2 2 241.379 0.960 20 0 BCADLP C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1[nH+]ccn1C ZINC000662933863 412349282 /nfs/dbraw/zinc/34/92/82/412349282.db2.gz KIMRTTMFMBQNPC-IWSPIJDZSA-N 2 2 222.292 0.335 20 0 BCADLP CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662934734 412349323 /nfs/dbraw/zinc/34/93/23/412349323.db2.gz QBUOGICFVRDHIE-DTWKUNHWSA-N 2 2 224.308 0.581 20 0 BCADLP C[C@@H](NC(=O)CC1([NH3+])CCC1)c1[nH+]ccn1C ZINC000662934842 412350034 /nfs/dbraw/zinc/35/00/34/412350034.db2.gz QWWZLDLMDDLRBS-SECBINFHSA-N 2 2 236.319 0.869 20 0 BCADLP C[NH2+]C[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000662968138 412359925 /nfs/dbraw/zinc/35/99/25/412359925.db2.gz FOPJLPTXFPSBJX-UWVGGRQHSA-N 2 2 236.319 0.170 20 0 BCADLP C[NH2+]C[C@@H](C)CNc1nc[nH+]c(N)c1Cl ZINC000420195605 412292752 /nfs/dbraw/zinc/29/27/52/412292752.db2.gz KNBJKFSWIGPCHO-ZCFIWIBFSA-N 2 2 229.715 0.980 20 0 BCADLP C[NH2+]C[C@@H](C)CNc1[nH+]cnc(N)c1Cl ZINC000420195605 412292756 /nfs/dbraw/zinc/29/27/56/412292756.db2.gz KNBJKFSWIGPCHO-ZCFIWIBFSA-N 2 2 229.715 0.980 20 0 BCADLP C[C@]1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC[NH2+]C1 ZINC000663013181 412370873 /nfs/dbraw/zinc/37/08/73/412370873.db2.gz AGHSNJCJCXYILN-GWCFXTLKSA-N 2 2 248.330 0.314 20 0 BCADLP C[C@@H](CC(=O)N[C@]1(C)CC[NH2+]C1)n1cc[nH+]c1 ZINC000663014324 412371133 /nfs/dbraw/zinc/37/11/33/412371133.db2.gz KRTYFNUDDXWCGQ-CMPLNLGQSA-N 2 2 236.319 0.702 20 0 BCADLP COc1c(N)[nH+]cnc1NC1CC[NH2+]CC1 ZINC000663237575 412398347 /nfs/dbraw/zinc/39/83/47/412398347.db2.gz PDVUHIIDXSTYHR-UHFFFAOYSA-N 2 2 223.280 0.231 20 0 BCADLP COc1c(N)nc[nH+]c1NC1CC[NH2+]CC1 ZINC000663237575 412398351 /nfs/dbraw/zinc/39/83/51/412398351.db2.gz PDVUHIIDXSTYHR-UHFFFAOYSA-N 2 2 223.280 0.231 20 0 BCADLP Cc1nc(N2CC[C@@H](F)[C@H]([NH3+])C2)cc[nH+]1 ZINC000663276621 412406193 /nfs/dbraw/zinc/40/61/93/412406193.db2.gz FYUIVRNHGPATNB-RKDXNWHRSA-N 2 2 210.256 0.661 20 0 BCADLP CCn1cc(C[NH2+]CCn2cc[nH+]c2)cn1 ZINC000050539651 172171198 /nfs/dbraw/zinc/17/11/98/172171198.db2.gz NBFZNNASHJXPLL-UHFFFAOYSA-N 2 2 219.292 0.889 20 0 BCADLP CCn1cc[nH+]c1CN1CCC([NH3+])CC1 ZINC000054743815 172219704 /nfs/dbraw/zinc/21/97/04/172219704.db2.gz JJTJYLSSRNCTSW-UHFFFAOYSA-N 2 2 208.309 0.826 20 0 BCADLP CCn1ccnc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000054743843 172220495 /nfs/dbraw/zinc/22/04/95/172220495.db2.gz PXPFTGZTRPPWFI-JTQLQIEISA-N 2 2 208.309 0.684 20 0 BCADLP CCn1ccnc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000054743843 172220498 /nfs/dbraw/zinc/22/04/98/172220498.db2.gz PXPFTGZTRPPWFI-JTQLQIEISA-N 2 2 208.309 0.684 20 0 BCADLP Cn1cc[nH+]c1CNCC(C)(C)[NH+](C)C ZINC000049856699 172395700 /nfs/dbraw/zinc/39/57/00/172395700.db2.gz PXLNMCCRJQNYOO-UHFFFAOYSA-N 2 2 210.325 0.850 20 0 BCADLP CN(C)c1nc(N2CCC[N@H+](C)CC2)cc[nH+]1 ZINC000354353335 173019673 /nfs/dbraw/zinc/01/96/73/173019673.db2.gz OYTFPBXPRHIGMI-UHFFFAOYSA-N 2 2 235.335 0.685 20 0 BCADLP CN(C)c1nc(N2CCC[N@@H+](C)CC2)cc[nH+]1 ZINC000354353335 173019674 /nfs/dbraw/zinc/01/96/74/173019674.db2.gz OYTFPBXPRHIGMI-UHFFFAOYSA-N 2 2 235.335 0.685 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000299566820 173026029 /nfs/dbraw/zinc/02/60/29/173026029.db2.gz SVMGYIUORDWHEQ-SNVBAGLBSA-N 2 2 222.292 0.094 20 0 BCADLP C[N@H+]1CCC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000299566820 173026030 /nfs/dbraw/zinc/02/60/30/173026030.db2.gz SVMGYIUORDWHEQ-SNVBAGLBSA-N 2 2 222.292 0.094 20 0 BCADLP C[NH+]1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000130985401 173073921 /nfs/dbraw/zinc/07/39/21/173073921.db2.gz AMRFTZPTKUPZPL-UHFFFAOYSA-N 2 2 245.326 0.677 20 0 BCADLP C[N@@H+]1CCO[C@H](CNc2cccc[nH+]2)C1 ZINC000082643956 173108708 /nfs/dbraw/zinc/10/87/08/173108708.db2.gz SHHNQPDEDWZLPQ-SNVBAGLBSA-N 2 2 207.277 0.824 20 0 BCADLP C[N@H+]1CCO[C@H](CNc2cccc[nH+]2)C1 ZINC000082643956 173108711 /nfs/dbraw/zinc/10/87/11/173108711.db2.gz SHHNQPDEDWZLPQ-SNVBAGLBSA-N 2 2 207.277 0.824 20 0 BCADLP CN1CC[C@@H]([N@H+](C)CCC[NH+]2CCCC2)C1=O ZINC000336716728 173117395 /nfs/dbraw/zinc/11/73/95/173117395.db2.gz WBAALTPDUJUOIT-GFCCVEGCSA-N 2 2 239.363 0.635 20 0 BCADLP CN1CC[C@@H]([N@@H+](C)CCC[NH+]2CCCC2)C1=O ZINC000336716728 173117398 /nfs/dbraw/zinc/11/73/98/173117398.db2.gz WBAALTPDUJUOIT-GFCCVEGCSA-N 2 2 239.363 0.635 20 0 BCADLP Cn1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)nn1 ZINC000336784192 173136638 /nfs/dbraw/zinc/13/66/38/173136638.db2.gz ZHQANGACUFLMPS-DGCLKSJQSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)nn1 ZINC000336784192 173136640 /nfs/dbraw/zinc/13/66/40/173136640.db2.gz ZHQANGACUFLMPS-DGCLKSJQSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)nn1 ZINC000336784192 173136642 /nfs/dbraw/zinc/13/66/42/173136642.db2.gz ZHQANGACUFLMPS-DGCLKSJQSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)nn1 ZINC000336784192 173136646 /nfs/dbraw/zinc/13/66/46/173136646.db2.gz ZHQANGACUFLMPS-DGCLKSJQSA-N 2 2 249.362 0.731 20 0 BCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cccnc2)C1 ZINC000309599048 173137935 /nfs/dbraw/zinc/13/79/35/173137935.db2.gz XCAJJCAPMZYBIS-GFCCVEGCSA-N 2 2 221.304 0.238 20 0 BCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccnc2)C1 ZINC000309599048 173137937 /nfs/dbraw/zinc/13/79/37/173137937.db2.gz XCAJJCAPMZYBIS-GFCCVEGCSA-N 2 2 221.304 0.238 20 0 BCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc[nH]c2)C1 ZINC000336766186 173138324 /nfs/dbraw/zinc/13/83/24/173138324.db2.gz RJSXAQODBAKQPN-LLVKDONJSA-N 2 2 209.293 0.171 20 0 BCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc[nH]c2)C1 ZINC000336766186 173138325 /nfs/dbraw/zinc/13/83/25/173138325.db2.gz RJSXAQODBAKQPN-LLVKDONJSA-N 2 2 209.293 0.171 20 0 BCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cncs2)C1 ZINC000308902472 173139771 /nfs/dbraw/zinc/13/97/71/173139771.db2.gz BQYOMKAMOTVQGA-SNVBAGLBSA-N 2 2 227.333 0.299 20 0 BCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cncs2)C1 ZINC000308902472 173139775 /nfs/dbraw/zinc/13/97/75/173139775.db2.gz BQYOMKAMOTVQGA-SNVBAGLBSA-N 2 2 227.333 0.299 20 0 BCADLP Cn1nccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336275771 173141312 /nfs/dbraw/zinc/14/13/12/173141312.db2.gz GRIFZTZLVRILNJ-CYBMUJFWSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1nccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336275771 173141315 /nfs/dbraw/zinc/14/13/15/173141315.db2.gz GRIFZTZLVRILNJ-CYBMUJFWSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1nccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336275771 173141317 /nfs/dbraw/zinc/14/13/17/173141317.db2.gz GRIFZTZLVRILNJ-CYBMUJFWSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1nccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336275771 173141319 /nfs/dbraw/zinc/14/13/19/173141319.db2.gz GRIFZTZLVRILNJ-CYBMUJFWSA-N 2 2 234.347 0.948 20 0 BCADLP C[N@@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000264682167 173144849 /nfs/dbraw/zinc/14/48/49/173144849.db2.gz ORTJXVUTYKIGLA-LLVKDONJSA-N 2 2 236.319 0.341 20 0 BCADLP C[N@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000264682167 173144852 /nfs/dbraw/zinc/14/48/52/173144852.db2.gz ORTJXVUTYKIGLA-LLVKDONJSA-N 2 2 236.319 0.341 20 0 BCADLP C[N@@H+]1CC[C@H]2CC[NH+](CCOCCO)[C@H]2C1 ZINC000370532532 173159612 /nfs/dbraw/zinc/15/96/12/173159612.db2.gz BBKJSAVPYOIXJH-RYUDHWBXSA-N 2 2 228.336 0.021 20 0 BCADLP C[N@H+]1CC[C@H]2CC[NH+](CCOCCO)[C@H]2C1 ZINC000370532532 173159614 /nfs/dbraw/zinc/15/96/14/173159614.db2.gz BBKJSAVPYOIXJH-RYUDHWBXSA-N 2 2 228.336 0.021 20 0 BCADLP C[NH+]1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC000370532532 173159615 /nfs/dbraw/zinc/15/96/15/173159615.db2.gz BBKJSAVPYOIXJH-RYUDHWBXSA-N 2 2 228.336 0.021 20 0 BCADLP C[NH+]1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC000370532532 173159616 /nfs/dbraw/zinc/15/96/16/173159616.db2.gz BBKJSAVPYOIXJH-RYUDHWBXSA-N 2 2 228.336 0.021 20 0 BCADLP Cn1nncc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000367709152 173163416 /nfs/dbraw/zinc/16/34/16/173163416.db2.gz WNIFGFUXKZZYPO-YPMHNXCESA-N 2 2 249.362 0.731 20 0 BCADLP Cn1nncc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000367709152 173163417 /nfs/dbraw/zinc/16/34/17/173163417.db2.gz WNIFGFUXKZZYPO-YPMHNXCESA-N 2 2 249.362 0.731 20 0 BCADLP Cn1nncc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000367709152 173163420 /nfs/dbraw/zinc/16/34/20/173163420.db2.gz WNIFGFUXKZZYPO-YPMHNXCESA-N 2 2 249.362 0.731 20 0 BCADLP Cn1nncc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000367709152 173163421 /nfs/dbraw/zinc/16/34/21/173163421.db2.gz WNIFGFUXKZZYPO-YPMHNXCESA-N 2 2 249.362 0.731 20 0 BCADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC000336319118 173168826 /nfs/dbraw/zinc/16/88/26/173168826.db2.gz XCZOOYDRIQUADZ-ZDUSSCGKSA-N 2 2 237.347 0.246 20 0 BCADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC000336319118 173168829 /nfs/dbraw/zinc/16/88/29/173168829.db2.gz XCZOOYDRIQUADZ-ZDUSSCGKSA-N 2 2 237.347 0.246 20 0 BCADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)N3CCC3)C2)C1 ZINC000336319118 173168830 /nfs/dbraw/zinc/16/88/30/173168830.db2.gz XCZOOYDRIQUADZ-ZDUSSCGKSA-N 2 2 237.347 0.246 20 0 BCADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)N3CCC3)C2)C1 ZINC000336319118 173168833 /nfs/dbraw/zinc/16/88/33/173168833.db2.gz XCZOOYDRIQUADZ-ZDUSSCGKSA-N 2 2 237.347 0.246 20 0 BCADLP CNC(=O)CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267406170 173252719 /nfs/dbraw/zinc/25/27/19/173252719.db2.gz HCTZQKLXXNCXGP-SNVBAGLBSA-N 2 2 236.319 0.725 20 0 BCADLP CNC(=O)CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267406170 173252722 /nfs/dbraw/zinc/25/27/22/173252722.db2.gz HCTZQKLXXNCXGP-SNVBAGLBSA-N 2 2 236.319 0.725 20 0 BCADLP CNC(=O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000331143258 173274990 /nfs/dbraw/zinc/27/49/90/173274990.db2.gz HPFZHYWTSNPTCG-NSHDSACASA-N 2 2 235.287 0.281 20 0 BCADLP CNC(=O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000331143258 173274991 /nfs/dbraw/zinc/27/49/91/173274991.db2.gz HPFZHYWTSNPTCG-NSHDSACASA-N 2 2 235.287 0.281 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000309656199 173280833 /nfs/dbraw/zinc/28/08/33/173280833.db2.gz PWZXQCSBBYVSHD-KOLCDFICSA-N 2 2 227.352 0.441 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@H](C)C[NH+](C)C ZINC000336645305 173282531 /nfs/dbraw/zinc/28/25/31/173282531.db2.gz BKOMEDGCKOEPSB-DTWKUNHWSA-N 2 2 201.314 0.051 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000359087155 173282732 /nfs/dbraw/zinc/28/27/32/173282732.db2.gz WQXROGNSVJTPGN-NWDGAFQWSA-N 2 2 241.379 0.975 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000323065201 173282832 /nfs/dbraw/zinc/28/28/32/173282832.db2.gz UZCPGQSBQFCALQ-HBNTYKKESA-N 2 2 239.363 0.726 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000323065201 173282833 /nfs/dbraw/zinc/28/28/33/173282833.db2.gz UZCPGQSBQFCALQ-HBNTYKKESA-N 2 2 239.363 0.726 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000336762845 173283138 /nfs/dbraw/zinc/28/31/38/173283138.db2.gz LUUWEZFUMLDAQX-DCAQKATOSA-N 2 2 227.352 0.583 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000336762845 173283139 /nfs/dbraw/zinc/28/31/39/173283139.db2.gz LUUWEZFUMLDAQX-DCAQKATOSA-N 2 2 227.352 0.583 20 0 BCADLP CNC(=O)[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000131282172 173306427 /nfs/dbraw/zinc/30/64/27/173306427.db2.gz RVLVIBZOMZRXNV-NSHDSACASA-N 2 2 236.319 0.341 20 0 BCADLP CNC(=O)[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000131282172 173306428 /nfs/dbraw/zinc/30/64/28/173306428.db2.gz RVLVIBZOMZRXNV-NSHDSACASA-N 2 2 236.319 0.341 20 0 BCADLP CNC(=O)[C@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000290048073 173307502 /nfs/dbraw/zinc/30/75/02/173307502.db2.gz OLVXMBAZXWTUDX-LLVKDONJSA-N 2 2 236.319 0.173 20 0 BCADLP C[NH2+]CCC(=O)Nc1c[nH+]ccc1OC ZINC000262397244 173341877 /nfs/dbraw/zinc/34/18/77/173341877.db2.gz OYIWCEKYWMEOQK-UHFFFAOYSA-N 2 2 209.249 0.638 20 0 BCADLP C[NH2+]CCCC(=O)NCCCn1cc[nH+]c1 ZINC000037477655 173343960 /nfs/dbraw/zinc/34/39/60/173343960.db2.gz GCOABOYBSIWINN-UHFFFAOYSA-N 2 2 224.308 0.389 20 0 BCADLP C[NH2+]CCCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000037477816 173344690 /nfs/dbraw/zinc/34/46/90/173344690.db2.gz JUWVIRIHVTWZSX-JTQLQIEISA-N 2 2 224.308 0.387 20 0 BCADLP C[NH2+]CCC[N@H+](C)CC(=O)NCc1ccccc1 ZINC000124912802 173346130 /nfs/dbraw/zinc/34/61/30/173346130.db2.gz JOPNGHZDMYCPOW-UHFFFAOYSA-N 2 2 249.358 0.844 20 0 BCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000124912802 173346131 /nfs/dbraw/zinc/34/61/31/173346131.db2.gz JOPNGHZDMYCPOW-UHFFFAOYSA-N 2 2 249.358 0.844 20 0 BCADLP C[NH2+]CCC[N@H+](C)CC(=O)N1CCCCCC1 ZINC000124911171 173346348 /nfs/dbraw/zinc/34/63/48/173346348.db2.gz DWILRXUWGDTCEJ-UHFFFAOYSA-N 2 2 241.379 0.930 20 0 BCADLP C[NH2+]CCC[N@@H+](C)CC(=O)N1CCCCCC1 ZINC000124911171 173346350 /nfs/dbraw/zinc/34/63/50/173346350.db2.gz DWILRXUWGDTCEJ-UHFFFAOYSA-N 2 2 241.379 0.930 20 0 BCADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)N1CCCCC1 ZINC000124993295 173346463 /nfs/dbraw/zinc/34/64/63/173346463.db2.gz MDNCUOHOXJZRKC-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)N1CCCCC1 ZINC000124993295 173346464 /nfs/dbraw/zinc/34/64/64/173346464.db2.gz MDNCUOHOXJZRKC-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP C[NH2+]CCCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000120956013 173348284 /nfs/dbraw/zinc/34/82/84/173348284.db2.gz YBLHSFCBJZPTHP-UHFFFAOYSA-N 2 2 246.314 0.603 20 0 BCADLP C[NH2+]CCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000237125783 173355533 /nfs/dbraw/zinc/35/55/33/173355533.db2.gz GMEODKWOMDEBFB-UHFFFAOYSA-N 2 2 245.286 0.217 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC000070799884 173369518 /nfs/dbraw/zinc/36/95/18/173369518.db2.gz RMBLBWKLNLALHP-JTQLQIEISA-N 2 2 227.352 0.442 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC000070799884 173369519 /nfs/dbraw/zinc/36/95/19/173369519.db2.gz RMBLBWKLNLALHP-JTQLQIEISA-N 2 2 227.352 0.442 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000040601478 173378669 /nfs/dbraw/zinc/37/86/69/173378669.db2.gz DJBQJDBYEDGRAF-WDEREUQCSA-N 2 2 239.363 0.585 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000040601478 173378671 /nfs/dbraw/zinc/37/86/71/173378671.db2.gz DJBQJDBYEDGRAF-WDEREUQCSA-N 2 2 239.363 0.585 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000071147557 173381060 /nfs/dbraw/zinc/38/10/60/173381060.db2.gz HHPKJHSWLSGUMN-LLVKDONJSA-N 2 2 239.363 0.587 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000071147557 173381062 /nfs/dbraw/zinc/38/10/62/173381062.db2.gz HHPKJHSWLSGUMN-LLVKDONJSA-N 2 2 239.363 0.587 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000071147607 173381939 /nfs/dbraw/zinc/38/19/39/173381939.db2.gz HORNWKUQWMCYSR-WDEREUQCSA-N 2 2 241.379 0.831 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000071147607 173381940 /nfs/dbraw/zinc/38/19/40/173381940.db2.gz HORNWKUQWMCYSR-WDEREUQCSA-N 2 2 241.379 0.831 20 0 BCADLP COC(=O)c1ccc(C[NH+]2CCC([NH3+])CC2)o1 ZINC000036754219 173874026 /nfs/dbraw/zinc/87/40/26/173874026.db2.gz LQLKVUAXFYHGHT-UHFFFAOYSA-N 2 2 238.287 0.989 20 0 BCADLP COCC[N@H+](C)CC[NH2+]C[C@@H]1CCCOC1 ZINC000082581234 174277086 /nfs/dbraw/zinc/27/70/86/174277086.db2.gz CLBQPASYJPHHHY-LBPRGKRZSA-N 2 2 230.352 0.581 20 0 BCADLP COCC[N@@H+](C)CC[NH2+]C[C@@H]1CCCOC1 ZINC000082581234 174277088 /nfs/dbraw/zinc/27/70/88/174277088.db2.gz CLBQPASYJPHHHY-LBPRGKRZSA-N 2 2 230.352 0.581 20 0 BCADLP COCC[N@@H+](C)CCN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000361023763 174278567 /nfs/dbraw/zinc/27/85/67/174278567.db2.gz OQQPITJIDSLWRF-QWHCGFSZSA-N 2 2 243.395 0.494 20 0 BCADLP COCC[NH+](C)CCN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000361023763 174278569 /nfs/dbraw/zinc/27/85/69/174278569.db2.gz OQQPITJIDSLWRF-QWHCGFSZSA-N 2 2 243.395 0.494 20 0 BCADLP COCC[NH+](C)CCN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000361023763 174278571 /nfs/dbraw/zinc/27/85/71/174278571.db2.gz OQQPITJIDSLWRF-QWHCGFSZSA-N 2 2 243.395 0.494 20 0 BCADLP COCC[N@H+](C)CCNc1cc(C)[nH+]cn1 ZINC000061379503 174278715 /nfs/dbraw/zinc/27/87/15/174278715.db2.gz FUUGHRYXMZCTBX-UHFFFAOYSA-N 2 2 224.308 0.775 20 0 BCADLP COCC[N@@H+](C)CCNc1cc(C)[nH+]cn1 ZINC000061379503 174278717 /nfs/dbraw/zinc/27/87/17/174278717.db2.gz FUUGHRYXMZCTBX-UHFFFAOYSA-N 2 2 224.308 0.775 20 0 BCADLP COCC[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000373919033 174305665 /nfs/dbraw/zinc/30/56/65/174305665.db2.gz BBZHAERBAOECMP-GFCCVEGCSA-N 2 2 242.363 0.818 20 0 BCADLP COCC[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000373919033 174305667 /nfs/dbraw/zinc/30/56/67/174305667.db2.gz BBZHAERBAOECMP-GFCCVEGCSA-N 2 2 242.363 0.818 20 0 BCADLP COCC[NH+]1CCN(Cc2c[nH+]cn2C)CC1 ZINC000072397882 174309820 /nfs/dbraw/zinc/30/98/20/174309820.db2.gz FXMJKQOYKUFBON-UHFFFAOYSA-N 2 2 238.335 0.184 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCCCO)C1 ZINC000352746360 174313035 /nfs/dbraw/zinc/31/30/35/174313035.db2.gz PQBUMWQKAWTRJX-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCCCO)C1 ZINC000352746360 174313036 /nfs/dbraw/zinc/31/30/36/174313036.db2.gz PQBUMWQKAWTRJX-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCC[C@H](C)CO)C1 ZINC000336903941 174313363 /nfs/dbraw/zinc/31/33/63/174313363.db2.gz VQLHJGFUXKAEGL-QWHCGFSZSA-N 2 2 244.379 0.705 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCC[C@H](C)CO)C1 ZINC000336903941 174313364 /nfs/dbraw/zinc/31/33/64/174313364.db2.gz VQLHJGFUXKAEGL-QWHCGFSZSA-N 2 2 244.379 0.705 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)O)C1 ZINC000336775927 174314273 /nfs/dbraw/zinc/31/42/73/174314273.db2.gz DDKQKMYCPDWTBA-NSHDSACASA-N 2 2 230.352 0.458 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)O)C1 ZINC000336775927 174314275 /nfs/dbraw/zinc/31/42/75/174314275.db2.gz DDKQKMYCPDWTBA-NSHDSACASA-N 2 2 230.352 0.458 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCC2(O)CCC2)C1 ZINC000341333819 174314584 /nfs/dbraw/zinc/31/45/84/174314584.db2.gz FLEUYFLFUKJREW-LBPRGKRZSA-N 2 2 242.363 0.602 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+]CCC2(O)CCC2)C1 ZINC000341333819 174314587 /nfs/dbraw/zinc/31/45/87/174314587.db2.gz FLEUYFLFUKJREW-LBPRGKRZSA-N 2 2 242.363 0.602 20 0 BCADLP COCCOCC[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000226971932 174352949 /nfs/dbraw/zinc/35/29/49/174352949.db2.gz XXYLDXYOIWYYFH-NEPJUHHUSA-N 2 2 230.352 0.709 20 0 BCADLP COCCOCC[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000226971932 174352951 /nfs/dbraw/zinc/35/29/51/174352951.db2.gz XXYLDXYOIWYYFH-NEPJUHHUSA-N 2 2 230.352 0.709 20 0 BCADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H](C)CCO)n1C ZINC000668291813 487628799 /nfs/dbraw/zinc/62/87/99/487628799.db2.gz VRSANEBUNXMXRI-VIFPVBQESA-N 2 2 211.309 0.931 20 0 BCADLP Cc1[nH+]cc(C[N@H+](C)[C@@H](C)CCO)n1C ZINC000668291813 487628802 /nfs/dbraw/zinc/62/88/02/487628802.db2.gz VRSANEBUNXMXRI-VIFPVBQESA-N 2 2 211.309 0.931 20 0 BCADLP [NH3+]CCCCc1cn(CCCn2cc[nH+]c2)nn1 ZINC000228373121 487629846 /nfs/dbraw/zinc/62/98/46/487629846.db2.gz ROIUAQAWGPPVSE-UHFFFAOYSA-N 2 2 248.334 0.846 20 0 BCADLP COc1cc[nH+]cc1NC(=O)[C@H](C)C[NH3+] ZINC000262417806 175375240 /nfs/dbraw/zinc/37/52/40/175375240.db2.gz RKQSEIHXYWVMMO-SSDOTTSWSA-N 2 2 209.249 0.624 20 0 BCADLP COc1nccnc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000294340405 175413453 /nfs/dbraw/zinc/41/34/53/175413453.db2.gz YKUPEDPXYCLJLK-SNVBAGLBSA-N 2 2 247.302 0.860 20 0 BCADLP C[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)C[NH+](C)C ZINC000293672576 175723752 /nfs/dbraw/zinc/72/37/52/175723752.db2.gz GNODGGGWOBVYMV-JTQLQIEISA-N 2 2 238.335 0.656 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000036999323 175782621 /nfs/dbraw/zinc/78/26/21/175782621.db2.gz UUBZKABRNUJYIQ-WDEREUQCSA-N 2 2 236.319 0.387 20 0 BCADLP C[C@@H]([NH2+]CC[NH+](C)C)C(C)(C)n1cncn1 ZINC000336679544 175878679 /nfs/dbraw/zinc/87/86/79/175878679.db2.gz AKXLLKXIPSPICZ-SNVBAGLBSA-N 2 2 225.340 0.553 20 0 BCADLP C[C@@H]1CCC[N@H+](CCn2cccn2)[C@H]1C[NH3+] ZINC000251599632 176100000 /nfs/dbraw/zinc/10/00/00/176100000.db2.gz BQSZEHURVYFZKB-NEPJUHHUSA-N 2 2 222.336 0.942 20 0 BCADLP C[C@@H]1CCC[N@@H+](CCn2cccn2)[C@H]1C[NH3+] ZINC000251599632 176100002 /nfs/dbraw/zinc/10/00/02/176100002.db2.gz BQSZEHURVYFZKB-NEPJUHHUSA-N 2 2 222.336 0.942 20 0 BCADLP C[C@@H]1CCCN(Cc2[nH+]ccn2C)[C@@H]1C[NH3+] ZINC000069727023 176101110 /nfs/dbraw/zinc/10/11/10/176101110.db2.gz GFSAIZUZSFSEAE-GHMZBOCLSA-N 2 2 222.336 0.979 20 0 BCADLP C[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C[C@H]1n1cc[nH+]c1 ZINC000245684942 176180229 /nfs/dbraw/zinc/18/02/29/176180229.db2.gz UXTZODPMLDHHBO-GRYCIOLGSA-N 2 2 248.330 0.655 20 0 BCADLP C[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C[C@H]1n1cc[nH+]c1 ZINC000245684942 176180230 /nfs/dbraw/zinc/18/02/30/176180230.db2.gz UXTZODPMLDHHBO-GRYCIOLGSA-N 2 2 248.330 0.655 20 0 BCADLP C[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000179306869 176180620 /nfs/dbraw/zinc/18/06/20/176180620.db2.gz UXTZODPMLDHHBO-UTUOFQBUSA-N 2 2 248.330 0.655 20 0 BCADLP C[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000179306869 176180622 /nfs/dbraw/zinc/18/06/22/176180622.db2.gz UXTZODPMLDHHBO-UTUOFQBUSA-N 2 2 248.330 0.655 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000261543047 176186002 /nfs/dbraw/zinc/18/60/02/176186002.db2.gz CRDXNZAZNMXESR-GHMZBOCLSA-N 2 2 236.319 0.387 20 0 BCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[NH+](C)CC1 ZINC000120123729 176199158 /nfs/dbraw/zinc/19/91/58/176199158.db2.gz NBAAHHHYJDJAQG-VXGBXAGGSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@@H]1CC[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000669585656 487633515 /nfs/dbraw/zinc/63/35/15/487633515.db2.gz IAEJSVDWUTYTEW-MXWKQRLJSA-N 2 2 240.351 0.069 20 0 BCADLP C[C@@H]1CN(C(N)=O)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354151077 176265970 /nfs/dbraw/zinc/26/59/70/176265970.db2.gz VHPCWEKJCRYLQP-SNVBAGLBSA-N 2 2 240.351 0.165 20 0 BCADLP C[C@@H]1CN(C(N)=O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354151077 176265971 /nfs/dbraw/zinc/26/59/71/176265971.db2.gz VHPCWEKJCRYLQP-SNVBAGLBSA-N 2 2 240.351 0.165 20 0 BCADLP C[C@@H]1C[N@H+](C)CCN1CCC[NH+]1CCOCC1 ZINC000336698500 176267350 /nfs/dbraw/zinc/26/73/50/176267350.db2.gz KNRAHZHNDLYLSY-CYBMUJFWSA-N 2 2 241.379 0.345 20 0 BCADLP C[C@@H]1C[N@@H+](C)CCN1CCC[NH+]1CCOCC1 ZINC000336698500 176267352 /nfs/dbraw/zinc/26/73/52/176267352.db2.gz KNRAHZHNDLYLSY-CYBMUJFWSA-N 2 2 241.379 0.345 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCn1ccnn1 ZINC000309738222 176271766 /nfs/dbraw/zinc/27/17/66/176271766.db2.gz CUDMDGVHCNOKKA-MNOVXSKESA-N 2 2 223.324 0.208 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCn1ccnn1 ZINC000309738222 176271768 /nfs/dbraw/zinc/27/17/68/176271768.db2.gz CUDMDGVHCNOKKA-MNOVXSKESA-N 2 2 223.324 0.208 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000309098332 176272355 /nfs/dbraw/zinc/27/23/55/176272355.db2.gz DQDMKRSOKWHZDI-WOPDTQHZSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000309098332 176272356 /nfs/dbraw/zinc/27/23/56/176272356.db2.gz DQDMKRSOKWHZDI-WOPDTQHZSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000336756262 176272919 /nfs/dbraw/zinc/27/29/19/176272919.db2.gz JGSUHVRTJJCUNK-MNOVXSKESA-N 2 2 212.337 0.689 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000336756262 176272922 /nfs/dbraw/zinc/27/29/22/176272922.db2.gz JGSUHVRTJJCUNK-MNOVXSKESA-N 2 2 212.337 0.689 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000360769832 176273726 /nfs/dbraw/zinc/27/37/26/176273726.db2.gz CJZCTHGIXATDTG-XQHKEYJVSA-N 2 2 242.363 0.171 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000360769832 176273728 /nfs/dbraw/zinc/27/37/28/176273728.db2.gz CJZCTHGIXATDTG-XQHKEYJVSA-N 2 2 242.363 0.171 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1CC=CCC1 ZINC000336782397 176276682 /nfs/dbraw/zinc/27/66/82/176276682.db2.gz XMICIKYXLYTSRV-CHWSQXEVSA-N 2 2 223.364 0.788 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1CC=CCC1 ZINC000336782397 176276684 /nfs/dbraw/zinc/27/66/84/176276684.db2.gz XMICIKYXLYTSRV-CHWSQXEVSA-N 2 2 223.364 0.788 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC000336779477 176277045 /nfs/dbraw/zinc/27/70/45/176277045.db2.gz OJZQCACYKYORQG-ZYHUDNBSSA-N 2 2 222.336 0.502 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC000336779477 176277046 /nfs/dbraw/zinc/27/70/46/176277046.db2.gz OJZQCACYKYORQG-ZYHUDNBSSA-N 2 2 222.336 0.502 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccn(C)n1 ZINC000336779656 176277090 /nfs/dbraw/zinc/27/70/90/176277090.db2.gz PASRAPZNLUOAKH-ZYHUDNBSSA-N 2 2 222.336 0.502 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccn(C)n1 ZINC000336779656 176277091 /nfs/dbraw/zinc/27/70/91/176277091.db2.gz PASRAPZNLUOAKH-ZYHUDNBSSA-N 2 2 222.336 0.502 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCC(=O)N(C)C ZINC000336725050 176277168 /nfs/dbraw/zinc/27/71/68/176277168.db2.gz BIJIUDGCDJYPIR-GHMZBOCLSA-N 2 2 227.352 0.395 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCC(=O)N(C)C ZINC000336725050 176277170 /nfs/dbraw/zinc/27/71/70/176277170.db2.gz BIJIUDGCDJYPIR-GHMZBOCLSA-N 2 2 227.352 0.395 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)OCCO ZINC000309765682 176277605 /nfs/dbraw/zinc/27/76/05/176277605.db2.gz JNSHXNDGKSLOLE-GHMZBOCLSA-N 2 2 230.352 0.314 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)OCCO ZINC000309765682 176277607 /nfs/dbraw/zinc/27/76/07/176277607.db2.gz JNSHXNDGKSLOLE-GHMZBOCLSA-N 2 2 230.352 0.314 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(O)CCC1 ZINC000309815240 176281602 /nfs/dbraw/zinc/28/16/02/176281602.db2.gz VDHAIPNPUBGZGL-PWSUYJOCSA-N 2 2 224.348 0.974 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(O)CCC1 ZINC000309815240 176281603 /nfs/dbraw/zinc/28/16/03/176281603.db2.gz VDHAIPNPUBGZGL-PWSUYJOCSA-N 2 2 224.348 0.974 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1COCCO1 ZINC000358235411 176281664 /nfs/dbraw/zinc/28/16/64/176281664.db2.gz RWEWKYDJURMOOW-RTXFEEFZSA-N 2 2 240.347 0.474 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1COCCO1 ZINC000358235411 176281665 /nfs/dbraw/zinc/28/16/65/176281665.db2.gz RWEWKYDJURMOOW-RTXFEEFZSA-N 2 2 240.347 0.474 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCN1CCC1 ZINC000336674656 176282058 /nfs/dbraw/zinc/28/20/58/176282058.db2.gz AXBZYNPMCTWDRN-DGCLKSJQSA-N 2 2 223.364 0.764 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCN1CCC1 ZINC000336674656 176282060 /nfs/dbraw/zinc/28/20/60/176282060.db2.gz AXBZYNPMCTWDRN-DGCLKSJQSA-N 2 2 223.364 0.764 20 0 BCADLP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)CC[C@@H]1[NH3+] ZINC000094341426 176284020 /nfs/dbraw/zinc/28/40/20/176284020.db2.gz ZFVWXVNQBYHSGS-PWSUYJOCSA-N 2 2 239.363 0.714 20 0 BCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)CC[C@@H]1[NH3+] ZINC000094341426 176284022 /nfs/dbraw/zinc/28/40/22/176284022.db2.gz ZFVWXVNQBYHSGS-PWSUYJOCSA-N 2 2 239.363 0.714 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC[C@@H]1O ZINC000310123355 176295596 /nfs/dbraw/zinc/29/55/96/176295596.db2.gz VSTBHJNAYLNRNN-WXHSDQCUSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC[C@@H]1O ZINC000310123355 176295597 /nfs/dbraw/zinc/29/55/97/176295597.db2.gz VSTBHJNAYLNRNN-WXHSDQCUSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC[C@@H]1O ZINC000310123355 176295598 /nfs/dbraw/zinc/29/55/98/176295598.db2.gz VSTBHJNAYLNRNN-WXHSDQCUSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC[C@@H]1O ZINC000310123355 176295599 /nfs/dbraw/zinc/29/55/99/176295599.db2.gz VSTBHJNAYLNRNN-WXHSDQCUSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1C[NH+](C[C@H](O)Cn2cc[nH+]c2)C[C@@H](C)O1 ZINC000066475460 176299008 /nfs/dbraw/zinc/29/90/08/176299008.db2.gz YQZFKZQDQXVWEJ-IJLUTSLNSA-N 2 2 239.319 0.353 20 0 BCADLP C[C@@H]1CN(Cc2[nH+]ccn2C)CC[C@H]1[NH3+] ZINC000251541631 176311515 /nfs/dbraw/zinc/31/15/15/176311515.db2.gz AUJHLPGDVAHSDH-NXEZZACHSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@@H]1C[N@H+](Cc2nccn2C)CC[C@H]1[NH3+] ZINC000251541631 176311517 /nfs/dbraw/zinc/31/15/17/176311517.db2.gz AUJHLPGDVAHSDH-NXEZZACHSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2nccn2C)CC[C@H]1[NH3+] ZINC000251541631 176311518 /nfs/dbraw/zinc/31/15/18/176311518.db2.gz AUJHLPGDVAHSDH-NXEZZACHSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC[NH2+]1 ZINC000370094800 176373798 /nfs/dbraw/zinc/37/37/98/176373798.db2.gz OYDYAVRCGXPBHE-VGMNWLOBSA-N 2 2 247.289 0.240 20 0 BCADLP C[C@@]1(C[N@@H+]2CCC[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000335603757 176530551 /nfs/dbraw/zinc/53/05/51/176530551.db2.gz USIVHMHXAXOQEG-NWDGAFQWSA-N 3 2 211.353 0.657 20 0 BCADLP C[C@@]1(C[N@H+]2CCC[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000335603757 176530553 /nfs/dbraw/zinc/53/05/53/176530553.db2.gz USIVHMHXAXOQEG-NWDGAFQWSA-N 3 2 211.353 0.657 20 0 BCADLP C[C@H](C[NH+](C)C)[NH2+]CC[C@H]1CCOC1 ZINC000336662189 176652530 /nfs/dbraw/zinc/65/25/30/176652530.db2.gz SXWQXRJVQVOYFM-MNOVXSKESA-N 2 2 200.326 0.953 20 0 BCADLP CN1CC[N@H+](C[C@@H]2CC[NH2+]C2)C(C)(C)C1=O ZINC000087289255 487635774 /nfs/dbraw/zinc/63/57/74/487635774.db2.gz WWBARICSOGIPFG-SNVBAGLBSA-N 2 2 225.336 0.149 20 0 BCADLP CN1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C(C)(C)C1=O ZINC000087289255 487635781 /nfs/dbraw/zinc/63/57/81/487635781.db2.gz WWBARICSOGIPFG-SNVBAGLBSA-N 2 2 225.336 0.149 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000336731315 177097119 /nfs/dbraw/zinc/09/71/19/177097119.db2.gz FEGCNKRAUHPMPP-QWRGUYRKSA-N 2 2 227.352 0.572 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000336731315 177097121 /nfs/dbraw/zinc/09/71/21/177097121.db2.gz FEGCNKRAUHPMPP-QWRGUYRKSA-N 2 2 227.352 0.572 20 0 BCADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000336398431 177232243 /nfs/dbraw/zinc/23/22/43/177232243.db2.gz NUFNPQCFEAWTDQ-DTWKUNHWSA-N 2 2 247.289 0.146 20 0 BCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000336398431 177232244 /nfs/dbraw/zinc/23/22/44/177232244.db2.gz NUFNPQCFEAWTDQ-DTWKUNHWSA-N 2 2 247.289 0.146 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCn1cnnc1C1CC1 ZINC000358032014 177235789 /nfs/dbraw/zinc/23/57/89/177235789.db2.gz BGTXPJWATHITSQ-JQWIXIFHSA-N 2 2 249.362 0.695 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCn1cnnc1C1CC1 ZINC000358032014 177235791 /nfs/dbraw/zinc/23/57/91/177235791.db2.gz BGTXPJWATHITSQ-JQWIXIFHSA-N 2 2 249.362 0.695 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNC(=O)C1CC1 ZINC000309808597 177235833 /nfs/dbraw/zinc/23/58/33/177235833.db2.gz SVWHFHYZCLNCOF-ONGXEEELSA-N 2 2 225.336 0.052 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNC(=O)C1CC1 ZINC000309808597 177235835 /nfs/dbraw/zinc/23/58/35/177235835.db2.gz SVWHFHYZCLNCOF-ONGXEEELSA-N 2 2 225.336 0.052 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCn1ccnn1 ZINC000309738224 177237108 /nfs/dbraw/zinc/23/71/08/177237108.db2.gz CUDMDGVHCNOKKA-WDEREUQCSA-N 2 2 223.324 0.208 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCn1ccnn1 ZINC000309738224 177237109 /nfs/dbraw/zinc/23/71/09/177237109.db2.gz CUDMDGVHCNOKKA-WDEREUQCSA-N 2 2 223.324 0.208 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000336777717 177237222 /nfs/dbraw/zinc/23/72/22/177237222.db2.gz JIEFUJYDPPAGEF-NWDGAFQWSA-N 3 2 229.368 0.104 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000336777717 177237223 /nfs/dbraw/zinc/23/72/23/177237223.db2.gz JIEFUJYDPPAGEF-NWDGAFQWSA-N 3 2 229.368 0.104 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)C(N)=O ZINC000309090513 177237734 /nfs/dbraw/zinc/23/77/34/177237734.db2.gz BAHKZXJMUYOPEG-DTWKUNHWSA-N 2 2 213.325 0.038 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)C(N)=O ZINC000309090513 177237736 /nfs/dbraw/zinc/23/77/36/177237736.db2.gz BAHKZXJMUYOPEG-DTWKUNHWSA-N 2 2 213.325 0.038 20 0 BCADLP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000358024574 177238524 /nfs/dbraw/zinc/23/85/24/177238524.db2.gz RCIWNMQHSRLFHV-QJPTWQEYSA-N 2 2 239.363 0.537 20 0 BCADLP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000358024574 177238526 /nfs/dbraw/zinc/23/85/26/177238526.db2.gz RCIWNMQHSRLFHV-QJPTWQEYSA-N 2 2 239.363 0.537 20 0 BCADLP C[C@H]1C[N@H+](CC(=O)NC2CCCC2)CC[C@@H]1[NH3+] ZINC000094341427 177243748 /nfs/dbraw/zinc/24/37/48/177243748.db2.gz ZFVWXVNQBYHSGS-JQWIXIFHSA-N 2 2 239.363 0.714 20 0 BCADLP C[C@H]1C[N@@H+](CC(=O)NC2CCCC2)CC[C@@H]1[NH3+] ZINC000094341427 177243749 /nfs/dbraw/zinc/24/37/49/177243749.db2.gz ZFVWXVNQBYHSGS-JQWIXIFHSA-N 2 2 239.363 0.714 20 0 BCADLP C[C@@H]1[C@@H](C)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000336550893 177243802 /nfs/dbraw/zinc/24/38/02/177243802.db2.gz WOXVYBOVQGLZBX-WDEREUQCSA-N 2 2 225.336 0.101 20 0 BCADLP C[C@@H]1[C@@H](C)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000336550893 177243804 /nfs/dbraw/zinc/24/38/04/177243804.db2.gz WOXVYBOVQGLZBX-WDEREUQCSA-N 2 2 225.336 0.101 20 0 BCADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)CC(=O)N1C ZINC000282219867 177255891 /nfs/dbraw/zinc/25/58/91/177255891.db2.gz OWSIINRWLYIXNI-JTQLQIEISA-N 2 2 222.292 0.046 20 0 BCADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)CC(=O)N1C ZINC000282219867 177255889 /nfs/dbraw/zinc/25/58/89/177255889.db2.gz OWSIINRWLYIXNI-JTQLQIEISA-N 2 2 222.292 0.046 20 0 BCADLP C[C@@H]1CN(Cc2[nH+]ccn2C)C[C@H](C)[N@H+]1C ZINC000293477443 177271836 /nfs/dbraw/zinc/27/18/36/177271836.db2.gz ROKKUWYSBMYCBO-PHIMTYICSA-N 2 2 222.336 0.945 20 0 BCADLP C[C@@H]1CN(Cc2[nH+]ccn2C)C[C@H](C)[N@@H+]1C ZINC000293477443 177271838 /nfs/dbraw/zinc/27/18/38/177271838.db2.gz ROKKUWYSBMYCBO-PHIMTYICSA-N 2 2 222.336 0.945 20 0 BCADLP C[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@H](C)[N@H+]1C ZINC000293350457 177272191 /nfs/dbraw/zinc/27/21/91/177272191.db2.gz HRLOACPPCGNSOP-AOOOYVTPSA-N 2 2 208.309 0.934 20 0 BCADLP C[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@H](C)[N@@H+]1C ZINC000293350457 177272192 /nfs/dbraw/zinc/27/21/92/177272192.db2.gz HRLOACPPCGNSOP-AOOOYVTPSA-N 2 2 208.309 0.934 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]Cc2nccn2C)CC[N@@H+]1C ZINC000090721192 177333801 /nfs/dbraw/zinc/33/38/01/177333801.db2.gz UILMUSGYSSMWFJ-QWRGUYRKSA-N 2 2 222.336 0.992 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]Cc2nccn2C)CC[N@H+]1C ZINC000090721192 177333803 /nfs/dbraw/zinc/33/38/03/177333803.db2.gz UILMUSGYSSMWFJ-QWRGUYRKSA-N 2 2 222.336 0.992 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CC(=O)NCC(F)F)CC[N@@H+]1C ZINC000360922055 177369011 /nfs/dbraw/zinc/36/90/11/177369011.db2.gz YSAXHLPHMYABFY-DTWKUNHWSA-N 2 2 249.305 0.440 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CC(=O)NCC(F)F)CC[N@H+]1C ZINC000360922055 177369014 /nfs/dbraw/zinc/36/90/14/177369014.db2.gz YSAXHLPHMYABFY-DTWKUNHWSA-N 2 2 249.305 0.440 20 0 BCADLP C[C@H]1C[C@H]([NH2+]Cc2cnn(C)c2)CC[N@@H+]1C ZINC000090720871 177371817 /nfs/dbraw/zinc/37/18/17/177371817.db2.gz JQHFEVHOAVWOPS-CMPLNLGQSA-N 2 2 222.336 0.992 20 0 BCADLP C[C@H]1C[C@H]([NH2+]Cc2cnn(C)c2)CC[N@H+]1C ZINC000090720871 177371818 /nfs/dbraw/zinc/37/18/18/177371818.db2.gz JQHFEVHOAVWOPS-CMPLNLGQSA-N 2 2 222.336 0.992 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccnn1C ZINC000335644678 177396726 /nfs/dbraw/zinc/39/67/26/177396726.db2.gz XGLPJDDITVWYLD-MWLCHTKSSA-N 2 2 208.309 0.650 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCOC[C@@H]1CCOC1 ZINC000674882779 487642826 /nfs/dbraw/zinc/64/28/26/487642826.db2.gz YNQYGJPUKIIRHN-UPJWGTAASA-N 2 2 242.363 0.579 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCOC[C@@H]1CCOC1 ZINC000674882779 487642829 /nfs/dbraw/zinc/64/28/29/487642829.db2.gz YNQYGJPUKIIRHN-UPJWGTAASA-N 2 2 242.363 0.579 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCOC[C@H]1CCOC1 ZINC000674882776 487643420 /nfs/dbraw/zinc/64/34/20/487643420.db2.gz YNQYGJPUKIIRHN-AGIUHOORSA-N 2 2 242.363 0.579 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCOC[C@H]1CCOC1 ZINC000674882776 487643426 /nfs/dbraw/zinc/64/34/26/487643426.db2.gz YNQYGJPUKIIRHN-AGIUHOORSA-N 2 2 242.363 0.579 20 0 BCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492760908 226048263 /nfs/dbraw/zinc/04/82/63/226048263.db2.gz FHDSVLLTGIGLBP-UFFNRZRYSA-N 2 2 248.330 0.976 20 0 BCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492760908 226048265 /nfs/dbraw/zinc/04/82/65/226048265.db2.gz FHDSVLLTGIGLBP-UFFNRZRYSA-N 2 2 248.330 0.976 20 0 BCADLP C[NH+](C)[C@@H]1CCCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493075916 226119491 /nfs/dbraw/zinc/11/94/91/226119491.db2.gz WYIYVBJMOROOKS-MVIFTORASA-N 2 2 248.330 0.976 20 0 BCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493351741 226192561 /nfs/dbraw/zinc/19/25/61/226192561.db2.gz KQXAEKKYOLTQKG-HMDXOVGESA-N 2 2 234.303 0.585 20 0 BCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493351741 226192565 /nfs/dbraw/zinc/19/25/65/226192565.db2.gz KQXAEKKYOLTQKG-HMDXOVGESA-N 2 2 234.303 0.585 20 0 BCADLP C[NH+](C)C(C)(C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493215603 226156813 /nfs/dbraw/zinc/15/68/13/226156813.db2.gz ALRMOZDKMDBDER-WAYWQWQTSA-N 2 2 236.319 0.879 20 0 BCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493381967 226201694 /nfs/dbraw/zinc/20/16/94/226201694.db2.gz IJTYRAQSCJMOMW-UFFNRZRYSA-N 2 2 248.330 0.976 20 0 BCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493381967 226201696 /nfs/dbraw/zinc/20/16/96/226201696.db2.gz IJTYRAQSCJMOMW-UFFNRZRYSA-N 2 2 248.330 0.976 20 0 BCADLP COCC(C)(C)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000494087041 226260801 /nfs/dbraw/zinc/26/08/01/226260801.db2.gz DVYUEDSXWLQPAZ-GFCCVEGCSA-N 2 2 243.395 0.494 20 0 BCADLP COCC(C)(C)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000494087041 226260802 /nfs/dbraw/zinc/26/08/02/226260802.db2.gz DVYUEDSXWLQPAZ-GFCCVEGCSA-N 2 2 243.395 0.494 20 0 BCADLP Cn1ccnc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494447164 226265315 /nfs/dbraw/zinc/26/53/15/226265315.db2.gz YGIWMBOLXJNJIC-JTQLQIEISA-N 2 2 231.303 0.721 20 0 BCADLP CN1C[C@H](C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)OC1=O ZINC000496434858 226305017 /nfs/dbraw/zinc/30/50/17/226305017.db2.gz FSWHYJKNAXAXOX-WDEREUQCSA-N 2 2 241.335 0.321 20 0 BCADLP CN1C[C@H](C[N@H+]2CC[C@@H](C[NH+](C)C)C2)OC1=O ZINC000496434858 226305018 /nfs/dbraw/zinc/30/50/18/226305018.db2.gz FSWHYJKNAXAXOX-WDEREUQCSA-N 2 2 241.335 0.321 20 0 BCADLP C[C@H]([NH2+]CCN1CCSCC1)[C@H]1CCC[NH2+]1 ZINC000400330763 226340726 /nfs/dbraw/zinc/34/07/26/226340726.db2.gz BTMWQBFWUIEUOK-NWDGAFQWSA-N 2 2 243.420 0.765 20 0 BCADLP C[C@@H]1C[C@H](O)C[N@H+](CCCn2cc[nH+]c2)C1 ZINC000401505790 226358658 /nfs/dbraw/zinc/35/86/58/226358658.db2.gz RXWMEIAYNAQIIU-NEPJUHHUSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H]1C[C@H](O)C[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000401505790 226358659 /nfs/dbraw/zinc/35/86/59/226358659.db2.gz RXWMEIAYNAQIIU-NEPJUHHUSA-N 2 2 223.320 0.976 20 0 BCADLP CC[N@@H+]1CCN(c2cc[nH+]cc2C(N)=O)C[C@H]1C ZINC000680829847 487654221 /nfs/dbraw/zinc/65/42/21/487654221.db2.gz BQHMLJJDPPCKDI-SNVBAGLBSA-N 2 2 248.330 0.711 20 0 BCADLP CC[N@H+]1CCN(c2cc[nH+]cc2C(N)=O)C[C@H]1C ZINC000680829847 487654228 /nfs/dbraw/zinc/65/42/28/487654228.db2.gz BQHMLJJDPPCKDI-SNVBAGLBSA-N 2 2 248.330 0.711 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000314070581 487659133 /nfs/dbraw/zinc/65/91/33/487659133.db2.gz WUPCIOQIKOBSMX-NSHDSACASA-N 3 2 222.336 0.776 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000314070581 487659138 /nfs/dbraw/zinc/65/91/38/487659138.db2.gz WUPCIOQIKOBSMX-NSHDSACASA-N 3 2 222.336 0.776 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000309105267 229348355 /nfs/dbraw/zinc/34/83/55/229348355.db2.gz HQOWUKLADLOCDL-BJDJZHNGSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000309105267 229348357 /nfs/dbraw/zinc/34/83/57/229348357.db2.gz HQOWUKLADLOCDL-BJDJZHNGSA-N 2 2 212.337 0.830 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@](C)(OC)C1 ZINC000383835128 487676921 /nfs/dbraw/zinc/67/69/21/487676921.db2.gz YJNGAYTTXHDAML-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@](C)(OC)C1 ZINC000383835128 487676925 /nfs/dbraw/zinc/67/69/25/487676925.db2.gz YJNGAYTTXHDAML-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@](C)(OC)C1 ZINC000383835128 487676931 /nfs/dbraw/zinc/67/69/31/487676931.db2.gz YJNGAYTTXHDAML-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@](C)(OC)C1 ZINC000383835128 487676937 /nfs/dbraw/zinc/67/69/37/487676937.db2.gz YJNGAYTTXHDAML-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP C[C@@H]1CC[C@H](C)N1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653103480 487678161 /nfs/dbraw/zinc/67/81/61/487678161.db2.gz IUTDUOZIZIDKHE-AXFHLTTASA-N 2 2 227.352 0.665 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+](C)C1CC([NH3+])C1 ZINC000314440971 487686783 /nfs/dbraw/zinc/68/67/83/487686783.db2.gz XJLXCWXBSPRNNS-UHFFFAOYSA-N 3 2 222.336 0.774 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+](C)C1CC([NH3+])C1 ZINC000314440971 487686784 /nfs/dbraw/zinc/68/67/84/487686784.db2.gz XJLXCWXBSPRNNS-UHFFFAOYSA-N 3 2 222.336 0.774 20 0 BCADLP Cc1[nH+]cc(C[N@@H+](C)CC[C@H](C)O)n1C ZINC000667649509 487693875 /nfs/dbraw/zinc/69/38/75/487693875.db2.gz VYJKSLGMGIIMBM-VIFPVBQESA-N 2 2 211.309 0.931 20 0 BCADLP Cc1[nH+]cc(C[N@H+](C)CC[C@H](C)O)n1C ZINC000667649509 487693878 /nfs/dbraw/zinc/69/38/78/487693878.db2.gz VYJKSLGMGIIMBM-VIFPVBQESA-N 2 2 211.309 0.931 20 0 BCADLP C[C@H](C[NH2+][C@@H]1CCCNC(=O)C1)[NH+](C)C ZINC000082667527 487715390 /nfs/dbraw/zinc/71/53/90/487715390.db2.gz MTBZGAHYVMSRPJ-NXEZZACHSA-N 2 2 213.325 0.195 20 0 BCADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000082669297 487716627 /nfs/dbraw/zinc/71/66/27/487716627.db2.gz MQYJCJHAUZGVAV-GHMZBOCLSA-N 2 2 225.336 0.339 20 0 BCADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000082669297 487716622 /nfs/dbraw/zinc/71/66/22/487716622.db2.gz MQYJCJHAUZGVAV-GHMZBOCLSA-N 2 2 225.336 0.339 20 0 BCADLP Cc1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cn1 ZINC000313364840 487720994 /nfs/dbraw/zinc/72/09/94/487720994.db2.gz XXNUZKLJYXPFRF-ZDUSSCGKSA-N 2 2 235.331 0.940 20 0 BCADLP Cc1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cn1 ZINC000313364840 487721003 /nfs/dbraw/zinc/72/10/03/487721003.db2.gz XXNUZKLJYXPFRF-ZDUSSCGKSA-N 2 2 235.331 0.940 20 0 BCADLP CCCCOCC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000249893492 487725615 /nfs/dbraw/zinc/72/56/15/487725615.db2.gz TVNMVWWKSOUYSB-RYUDHWBXSA-N 2 2 230.352 0.851 20 0 BCADLP CCCCOCC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000249893492 487725620 /nfs/dbraw/zinc/72/56/20/487725620.db2.gz TVNMVWWKSOUYSB-RYUDHWBXSA-N 2 2 230.352 0.851 20 0 BCADLP CCN(CCO)CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000681108861 487728697 /nfs/dbraw/zinc/72/86/97/487728697.db2.gz NHUZSIYEBQYOEM-OLZOCXBDSA-N 2 2 243.395 0.373 20 0 BCADLP CCN(CCO)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000681108861 487728703 /nfs/dbraw/zinc/72/87/03/487728703.db2.gz NHUZSIYEBQYOEM-OLZOCXBDSA-N 2 2 243.395 0.373 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)CC(C)(C)[NH3+] ZINC000082772078 487730010 /nfs/dbraw/zinc/73/00/10/487730010.db2.gz IPTFNWMMYOOQOA-UHFFFAOYSA-N 2 2 224.308 0.506 20 0 BCADLP CNC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250418900 487732157 /nfs/dbraw/zinc/73/21/57/487732157.db2.gz YRNAWBRSUBVDBK-WDEREUQCSA-N 2 2 225.336 0.196 20 0 BCADLP CNC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250418900 487732161 /nfs/dbraw/zinc/73/21/61/487732161.db2.gz YRNAWBRSUBVDBK-WDEREUQCSA-N 2 2 225.336 0.196 20 0 BCADLP CC(C)[C@@H](C(=O)NCc1c[nH+]c[nH]1)[C@@H](C)[NH3+] ZINC000399591457 487749030 /nfs/dbraw/zinc/74/90/30/487749030.db2.gz QSNUELARAFYYGA-PSASIEDQSA-N 2 2 224.308 0.645 20 0 BCADLP CC(C)[C@@H](C(=O)NCc1c[nH]c[nH+]1)[C@@H](C)[NH3+] ZINC000399591457 487749034 /nfs/dbraw/zinc/74/90/34/487749034.db2.gz QSNUELARAFYYGA-PSASIEDQSA-N 2 2 224.308 0.645 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCOC1 ZINC000309219980 487780497 /nfs/dbraw/zinc/78/04/97/487780497.db2.gz GKRGUONRNCOCCT-NEPJUHHUSA-N 2 2 230.352 0.408 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCOC1 ZINC000309219980 487780503 /nfs/dbraw/zinc/78/05/03/487780503.db2.gz GKRGUONRNCOCCT-NEPJUHHUSA-N 2 2 230.352 0.408 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCOC1 ZINC000309219980 487780511 /nfs/dbraw/zinc/78/05/11/487780511.db2.gz GKRGUONRNCOCCT-NEPJUHHUSA-N 2 2 230.352 0.408 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCOC1 ZINC000309219980 487780517 /nfs/dbraw/zinc/78/05/17/487780517.db2.gz GKRGUONRNCOCCT-NEPJUHHUSA-N 2 2 230.352 0.408 20 0 BCADLP CC[C@@H]1C[N@H+](CC(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000251911446 487806876 /nfs/dbraw/zinc/80/68/76/487806876.db2.gz XSWUYOAFIQPLHK-MWLCHTKSSA-N 2 2 225.336 0.324 20 0 BCADLP CC[C@@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000251911446 487806882 /nfs/dbraw/zinc/80/68/82/487806882.db2.gz XSWUYOAFIQPLHK-MWLCHTKSSA-N 2 2 225.336 0.324 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cnnn1C ZINC000394841882 487816645 /nfs/dbraw/zinc/81/66/45/487816645.db2.gz GGHPGWLAVRVMJJ-DTWKUNHWSA-N 2 2 209.297 0.127 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cnnn1C ZINC000394841882 487816649 /nfs/dbraw/zinc/81/66/49/487816649.db2.gz GGHPGWLAVRVMJJ-DTWKUNHWSA-N 2 2 209.297 0.127 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cnnn1C ZINC000394841889 487816666 /nfs/dbraw/zinc/81/66/66/487816666.db2.gz GGHPGWLAVRVMJJ-RKDXNWHRSA-N 2 2 209.297 0.127 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cnnn1C ZINC000394841889 487816669 /nfs/dbraw/zinc/81/66/69/487816669.db2.gz GGHPGWLAVRVMJJ-RKDXNWHRSA-N 2 2 209.297 0.127 20 0 BCADLP c1cn(CC[N@@H+]2CC[C@@H](n3cncn3)C2)c[nH+]1 ZINC000681602831 487821504 /nfs/dbraw/zinc/82/15/04/487821504.db2.gz FBUXANBQFQUQMZ-LLVKDONJSA-N 2 2 232.291 0.422 20 0 BCADLP CC(C)[C@@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000252868025 487837050 /nfs/dbraw/zinc/83/70/50/487837050.db2.gz RGDVHDRTEMWEQT-VXGBXAGGSA-N 2 2 212.337 0.953 20 0 BCADLP CC(C)[C@@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000252868025 487837056 /nfs/dbraw/zinc/83/70/56/487837056.db2.gz RGDVHDRTEMWEQT-VXGBXAGGSA-N 2 2 212.337 0.953 20 0 BCADLP CC[N@H+](Cc1c[nH+]c(C)n1C)[C@@H]1CCNC1=O ZINC000668103462 487839321 /nfs/dbraw/zinc/83/93/21/487839321.db2.gz LMYKHBMYMXETTP-LLVKDONJSA-N 2 2 236.319 0.439 20 0 BCADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)[C@@H]1CCNC1=O ZINC000668103462 487839325 /nfs/dbraw/zinc/83/93/25/487839325.db2.gz LMYKHBMYMXETTP-LLVKDONJSA-N 2 2 236.319 0.439 20 0 BCADLP COc1c(C)[nH+]cnc1NC1CC[NH2+]CC1 ZINC000212523722 487845775 /nfs/dbraw/zinc/84/57/75/487845775.db2.gz DOSMVZKMZBYSFA-UHFFFAOYSA-N 2 2 222.292 0.958 20 0 BCADLP C[C@@H]1SCC[N@H+](C[C@H]2C[NH2+]CCO2)[C@H]1C ZINC000253085529 487848258 /nfs/dbraw/zinc/84/82/58/487848258.db2.gz ZRXGGYXLDUNPJK-GARJFASQSA-N 2 2 230.377 0.801 20 0 BCADLP C[C@@H]1SCC[N@@H+](C[C@H]2C[NH2+]CCO2)[C@H]1C ZINC000253085529 487848263 /nfs/dbraw/zinc/84/82/63/487848263.db2.gz ZRXGGYXLDUNPJK-GARJFASQSA-N 2 2 230.377 0.801 20 0 BCADLP COC[C@@H](C[N@@H+]1CCC[C@@H]([NH3+])C1)OC ZINC000234687911 487853435 /nfs/dbraw/zinc/85/34/35/487853435.db2.gz DOTOFZIMHGYFAB-NXEZZACHSA-N 2 2 202.298 0.071 20 0 BCADLP COC[C@@H](C[N@H+]1CCC[C@@H]([NH3+])C1)OC ZINC000234687911 487853437 /nfs/dbraw/zinc/85/34/37/487853437.db2.gz DOTOFZIMHGYFAB-NXEZZACHSA-N 2 2 202.298 0.071 20 0 BCADLP COC(=O)CCC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000373144261 487861490 /nfs/dbraw/zinc/86/14/90/487861490.db2.gz ZNMLKNPJZJMEFO-RYUDHWBXSA-N 2 2 240.347 0.966 20 0 BCADLP COC(=O)CCC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000373144261 487861499 /nfs/dbraw/zinc/86/14/99/487861499.db2.gz ZNMLKNPJZJMEFO-RYUDHWBXSA-N 2 2 240.347 0.966 20 0 BCADLP COC(=O)CCC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000373144261 487861503 /nfs/dbraw/zinc/86/15/03/487861503.db2.gz ZNMLKNPJZJMEFO-RYUDHWBXSA-N 2 2 240.347 0.966 20 0 BCADLP COC(=O)CCC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000373144261 487861508 /nfs/dbraw/zinc/86/15/08/487861508.db2.gz ZNMLKNPJZJMEFO-RYUDHWBXSA-N 2 2 240.347 0.966 20 0 BCADLP C[N@@H+]1C[C@H]2CCN(Cc3c[nH+]c4n3CCC4)[C@H]2C1 ZINC000668186519 487868795 /nfs/dbraw/zinc/86/87/95/487868795.db2.gz KWEIDMPLJANZMY-YPMHNXCESA-N 2 2 246.358 0.965 20 0 BCADLP C[N@H+]1C[C@H]2CCN(Cc3c[nH+]c4n3CCC4)[C@H]2C1 ZINC000668186519 487868798 /nfs/dbraw/zinc/86/87/98/487868798.db2.gz KWEIDMPLJANZMY-YPMHNXCESA-N 2 2 246.358 0.965 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)n1C ZINC000668185370 487869040 /nfs/dbraw/zinc/86/90/40/487869040.db2.gz JZPILCVYQSECCT-GDNZZTSVSA-N 2 2 221.304 0.399 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)n1C ZINC000668185370 487869046 /nfs/dbraw/zinc/86/90/46/487869046.db2.gz JZPILCVYQSECCT-GDNZZTSVSA-N 2 2 221.304 0.399 20 0 BCADLP COC1(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)CCOCC1 ZINC000676571902 487874642 /nfs/dbraw/zinc/87/46/42/487874642.db2.gz XWAHKDZPOMVNHG-NEPJUHHUSA-N 2 2 242.363 0.722 20 0 BCADLP COC1(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CCOCC1 ZINC000676571902 487874648 /nfs/dbraw/zinc/87/46/48/487874648.db2.gz XWAHKDZPOMVNHG-NEPJUHHUSA-N 2 2 242.363 0.722 20 0 BCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000111825333 487892319 /nfs/dbraw/zinc/89/23/19/487892319.db2.gz ZYOGYOZZVDQBIJ-VXGBXAGGSA-N 2 2 239.363 0.729 20 0 BCADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000111825333 487892323 /nfs/dbraw/zinc/89/23/23/487892323.db2.gz ZYOGYOZZVDQBIJ-VXGBXAGGSA-N 2 2 239.363 0.729 20 0 BCADLP Cc1ncc(C[N@H+](C)CC2C[NH+](C)C2)cn1 ZINC000668537777 487902401 /nfs/dbraw/zinc/90/24/01/487902401.db2.gz OQLBZEDCXVHLSA-UHFFFAOYSA-N 2 2 220.320 0.778 20 0 BCADLP Cc1ncc(C[N@@H+](C)CC2C[NH+](C)C2)cn1 ZINC000668537777 487902405 /nfs/dbraw/zinc/90/24/05/487902405.db2.gz OQLBZEDCXVHLSA-UHFFFAOYSA-N 2 2 220.320 0.778 20 0 BCADLP CCC[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000668541214 487911275 /nfs/dbraw/zinc/91/12/75/487911275.db2.gz JCUGXDTVGDOYOT-GHMZBOCLSA-N 2 2 242.367 0.459 20 0 BCADLP CCC[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000668541214 487911278 /nfs/dbraw/zinc/91/12/78/487911278.db2.gz JCUGXDTVGDOYOT-GHMZBOCLSA-N 2 2 242.367 0.459 20 0 BCADLP C[C@H]1C[C@H](C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CC[NH2+]1 ZINC000666947581 487911564 /nfs/dbraw/zinc/91/15/64/487911564.db2.gz BOWPRVCGHILERM-USZNOCQGSA-N 3 2 229.343 0.664 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661704434 487948669 /nfs/dbraw/zinc/94/86/69/487948669.db2.gz PJYRHFWYXMVMLU-YPMHNXCESA-N 2 2 235.331 0.931 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661704434 487948672 /nfs/dbraw/zinc/94/86/72/487948672.db2.gz PJYRHFWYXMVMLU-YPMHNXCESA-N 2 2 235.331 0.931 20 0 BCADLP O=C1NCC[C@H]1[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000566246088 322979206 /nfs/dbraw/zinc/97/92/06/322979206.db2.gz DKDDQYBOVMOHTQ-GFCCVEGCSA-N 2 2 237.347 0.339 20 0 BCADLP Cc1nc(N2CC[C@@H]3C[NH2+]C[C@@H]32)nc(N(C)C)[nH+]1 ZINC000561267556 322998346 /nfs/dbraw/zinc/99/83/46/322998346.db2.gz ZBGNFEFBWFOYER-ZJUUUORDSA-N 2 2 248.334 0.044 20 0 BCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000566621125 323007524 /nfs/dbraw/zinc/00/75/24/323007524.db2.gz AUTSQZIOUIDKLQ-PHIMTYICSA-N 2 2 248.330 0.501 20 0 BCADLP CCO[C@@H]1C[C@@H]1[NH2+]C1CC[NH+](CCOC)CC1 ZINC000562487881 323021776 /nfs/dbraw/zinc/02/17/76/323021776.db2.gz QXCNQZSGLHDGTC-QWHCGFSZSA-N 2 2 242.363 0.864 20 0 BCADLP Cc1cc(NC(=O)NCC[C@H](C)[NH3+])c(C)c[nH+]1 ZINC000562754734 323029929 /nfs/dbraw/zinc/02/99/29/323029929.db2.gz ASCLIXFCWYKYAS-VIFPVBQESA-N 2 2 236.319 0.979 20 0 BCADLP C[C@H](O)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000569804976 323041229 /nfs/dbraw/zinc/04/12/29/323041229.db2.gz SYVLWAPENYPVCV-VIFPVBQESA-N 2 2 209.293 0.690 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CC(=O)NCC(F)F)n1C ZINC000569867472 323043281 /nfs/dbraw/zinc/04/32/81/323043281.db2.gz HHNVMRARXMRTOD-UHFFFAOYSA-N 2 2 246.261 0.199 20 0 BCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C2CCC2)C[C@@H](C)O1 ZINC000570272999 323054495 /nfs/dbraw/zinc/05/44/95/323054495.db2.gz LLMXJKLRKLQVQV-NQBHXWOUSA-N 2 2 242.363 0.599 20 0 BCADLP CC[C@@H]([NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000567771566 323081216 /nfs/dbraw/zinc/08/12/16/323081216.db2.gz JAUYPVDIHPGMHD-VHSXEESVSA-N 2 2 236.319 0.853 20 0 BCADLP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000567771565 323081235 /nfs/dbraw/zinc/08/12/35/323081235.db2.gz JAUYPVDIHPGMHD-NXEZZACHSA-N 2 2 236.319 0.853 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCOC[C@H]1CCCO1 ZINC000563154744 323095686 /nfs/dbraw/zinc/09/56/86/323095686.db2.gz VKIAIFGQQVCVQX-QWHCGFSZSA-N 2 2 242.363 0.866 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCOC[C@H]1CCCO1 ZINC000563154744 323095687 /nfs/dbraw/zinc/09/56/87/323095687.db2.gz VKIAIFGQQVCVQX-QWHCGFSZSA-N 2 2 242.363 0.866 20 0 BCADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000401651734 323105124 /nfs/dbraw/zinc/10/51/24/323105124.db2.gz QIIMSLKCPGIWID-WCQYABFASA-N 3 2 236.363 0.892 20 0 BCADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000401651734 323105125 /nfs/dbraw/zinc/10/51/25/323105125.db2.gz QIIMSLKCPGIWID-WCQYABFASA-N 3 2 236.363 0.892 20 0 BCADLP CC[N@H+](Cc1cnn(C)c1)C[C@](C)(O)C[NH2+]C ZINC000563271160 323107220 /nfs/dbraw/zinc/10/72/20/323107220.db2.gz MRNZUCVWSLBZCO-GFCCVEGCSA-N 2 2 240.351 0.212 20 0 BCADLP CC[N@@H+](Cc1cnn(C)c1)C[C@](C)(O)C[NH2+]C ZINC000563271160 323107221 /nfs/dbraw/zinc/10/72/21/323107221.db2.gz MRNZUCVWSLBZCO-GFCCVEGCSA-N 2 2 240.351 0.212 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)CCN1CCCC1=O ZINC000534298617 323115688 /nfs/dbraw/zinc/11/56/88/323115688.db2.gz CKXJCOBDESRGQE-UHFFFAOYSA-N 2 2 236.319 0.437 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)CCN1CCCC1=O ZINC000534298617 323115689 /nfs/dbraw/zinc/11/56/89/323115689.db2.gz CKXJCOBDESRGQE-UHFFFAOYSA-N 2 2 236.319 0.437 20 0 BCADLP CC[NH+]1CCN(CCCc2c[nH+]cn2C)CC1 ZINC000563357506 323119515 /nfs/dbraw/zinc/11/95/15/323119515.db2.gz TXYNISJBRZJKNM-UHFFFAOYSA-N 2 2 236.363 0.990 20 0 BCADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC000245686586 323122162 /nfs/dbraw/zinc/12/21/62/323122162.db2.gz NGPVKEWVERQSJD-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC000245686586 323122163 /nfs/dbraw/zinc/12/21/63/323122163.db2.gz NGPVKEWVERQSJD-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000245686586 323122164 /nfs/dbraw/zinc/12/21/64/323122164.db2.gz NGPVKEWVERQSJD-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC000245686586 323122165 /nfs/dbraw/zinc/12/21/65/323122165.db2.gz NGPVKEWVERQSJD-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP FC1(F)CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000259414707 323146583 /nfs/dbraw/zinc/14/65/83/323146583.db2.gz IKCRIZFBYZVJJU-VIFPVBQESA-N 2 2 220.263 0.706 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535316171 323170410 /nfs/dbraw/zinc/17/04/10/323170410.db2.gz VMKBJFAYSCYGIE-SNVBAGLBSA-N 2 2 236.319 0.346 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535316171 323170411 /nfs/dbraw/zinc/17/04/11/323170411.db2.gz VMKBJFAYSCYGIE-SNVBAGLBSA-N 2 2 236.319 0.346 20 0 BCADLP Cc1cc(NC(=O)N2CC[NH+](C)CC2)c(C)c[nH+]1 ZINC000536618206 323198691 /nfs/dbraw/zinc/19/86/91/323198691.db2.gz YYDQTMZLYWAJNJ-UHFFFAOYSA-N 2 2 248.330 0.900 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCCC2)CC1 ZINC000043304406 323274975 /nfs/dbraw/zinc/27/49/75/323274975.db2.gz GCAGUBIVOAHIFA-LBPRGKRZSA-N 2 2 239.363 0.635 20 0 BCADLP C[C@H](CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)n1cc[nH+]c1 ZINC000563968972 323335451 /nfs/dbraw/zinc/33/54/51/323335451.db2.gz WSBYDDMNSDQNSB-UTUOFQBUSA-N 2 2 248.330 0.512 20 0 BCADLP Cc1cccc2[nH+]c(CCNC(=O)C[NH3+])cn21 ZINC000083887940 487958836 /nfs/dbraw/zinc/95/88/36/487958836.db2.gz LPELMPXNEOKQDJ-UHFFFAOYSA-N 2 2 232.287 0.260 20 0 BCADLP Cc1c[nH+]cn1CC(=O)NCCn1cc[nH+]c1C ZINC000528317093 323796666 /nfs/dbraw/zinc/79/66/66/323796666.db2.gz HCEMMFJPXFDZFB-UHFFFAOYSA-N 2 2 247.302 0.513 20 0 BCADLP COC[C@](C)(O)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000537655726 324093709 /nfs/dbraw/zinc/09/37/09/324093709.db2.gz GRRMUIYUQTZCGU-CYBMUJFWSA-N 2 2 249.314 0.821 20 0 BCADLP COC[C@@](C)(O)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000537655727 324093821 /nfs/dbraw/zinc/09/38/21/324093821.db2.gz GRRMUIYUQTZCGU-ZDUSSCGKSA-N 2 2 249.314 0.821 20 0 BCADLP [NH3+]CC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241749 324554004 /nfs/dbraw/zinc/55/40/04/324554004.db2.gz QRGLRZVQPPWPPN-GFCCVEGCSA-N 3 2 227.352 0.036 20 0 BCADLP O=C(NCCCn1cc[nH+]c1)[C@]12C[C@H]1CC[NH2+]2 ZINC000564336303 325417043 /nfs/dbraw/zinc/41/70/43/325417043.db2.gz XGSUHRIXYPZLFM-PWSUYJOCSA-N 2 2 234.303 0.141 20 0 BCADLP O=C([C@H]1CCCCC[NH2+]1)N1CCn2cc[nH+]c2C1 ZINC000081001124 325487772 /nfs/dbraw/zinc/48/77/72/325487772.db2.gz VFFJVOWHBYEQLV-LLVKDONJSA-N 2 2 248.330 0.758 20 0 BCADLP Cc1cc(NC(=O)NC/C=C\C[NH3+])cc[nH+]1 ZINC000667299090 487968521 /nfs/dbraw/zinc/96/85/21/487968521.db2.gz XDPPTDNYQAPRGP-IHWYPQMZSA-N 2 2 220.276 0.448 20 0 BCADLP C[C@H]([NH3+])C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000083928470 487968806 /nfs/dbraw/zinc/96/88/06/487968806.db2.gz OEPQATCLBMVRAM-JTQLQIEISA-N 2 2 248.330 0.645 20 0 BCADLP Cc1cc(NC(=O)NCC[NH2+]C2CC2)c(C)c[nH+]1 ZINC000667301965 487968922 /nfs/dbraw/zinc/96/89/22/487968922.db2.gz UUIWOLAEWHADGZ-UHFFFAOYSA-N 2 2 248.330 0.994 20 0 BCADLP Cc1cc(NC(=O)N[C@H](C)[C@H](C)[NH3+])c(C)c[nH+]1 ZINC000667301898 487969108 /nfs/dbraw/zinc/96/91/08/487969108.db2.gz GGSMVHZUDBOQIV-VHSXEESVSA-N 2 2 236.319 0.978 20 0 BCADLP COC[C@]1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000566483861 326056471 /nfs/dbraw/zinc/05/64/71/326056471.db2.gz XNVDQFVMOQQCEB-FRRDWIJNSA-N 3 2 241.379 0.615 20 0 BCADLP C[NH+](C)[C@@]1(C[NH2+]CC2(O)CCC2)CCSC1 ZINC000566733153 326077390 /nfs/dbraw/zinc/07/73/90/326077390.db2.gz MYUYLTWGKHNRSB-LLVKDONJSA-N 2 2 244.404 0.928 20 0 BCADLP O=C(Nc1cc[nH+]cc1O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655609329 487971613 /nfs/dbraw/zinc/97/16/13/487971613.db2.gz OIGWROPVQRYYFS-RNCFNFMXSA-N 2 2 247.298 0.537 20 0 BCADLP O[C@@H](C[NH2+]CCn1cc[nH+]c1)CC(F)(F)F ZINC000307952358 326121428 /nfs/dbraw/zinc/12/14/28/326121428.db2.gz VOXZNBLYBZQPGJ-MRVPVSSYSA-N 2 2 237.225 0.786 20 0 BCADLP [NH3+]CCNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000567232900 326147483 /nfs/dbraw/zinc/14/74/83/326147483.db2.gz PDIZAWUPMGIOQU-VIFPVBQESA-N 2 2 229.230 0.040 20 0 BCADLP C[C@@H](CNC(=O)C[NH2+]C1CC1)Cn1cc[nH+]c1 ZINC000154632797 326154673 /nfs/dbraw/zinc/15/46/73/326154673.db2.gz MOVUJOQEZMAUSL-JTQLQIEISA-N 2 2 236.319 0.387 20 0 BCADLP [NH3+]CC[N@H+](CCO)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000567508717 326207247 /nfs/dbraw/zinc/20/72/47/326207247.db2.gz PJFDVYMCVAJEKK-UHFFFAOYSA-N 3 2 249.358 0.085 20 0 BCADLP [NH3+]CC[N@@H+](CCO)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000567508717 326207250 /nfs/dbraw/zinc/20/72/50/326207250.db2.gz PJFDVYMCVAJEKK-UHFFFAOYSA-N 3 2 249.358 0.085 20 0 BCADLP C[C@@H](C[NH+](C)C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000567620283 326230588 /nfs/dbraw/zinc/23/05/88/326230588.db2.gz XLQNSPOAJXDCAZ-QWRGUYRKSA-N 2 2 238.335 0.901 20 0 BCADLP CC[C@@H]([NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000567747466 326254403 /nfs/dbraw/zinc/25/44/03/326254403.db2.gz KDPNIKNAFOKSFK-SNVBAGLBSA-N 2 2 232.287 0.688 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCO[C@@H](CF)C1 ZINC000567747856 326254421 /nfs/dbraw/zinc/25/44/21/326254421.db2.gz BLMDZZRFEGZNRD-RYUDHWBXSA-N 2 2 248.342 0.359 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCO[C@@H](CF)C1 ZINC000567747856 326254422 /nfs/dbraw/zinc/25/44/22/326254422.db2.gz BLMDZZRFEGZNRD-RYUDHWBXSA-N 2 2 248.342 0.359 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCO[C@@H](CF)C1 ZINC000567747856 326254424 /nfs/dbraw/zinc/25/44/24/326254424.db2.gz BLMDZZRFEGZNRD-RYUDHWBXSA-N 2 2 248.342 0.359 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCO[C@@H](CF)C1 ZINC000567747856 326254425 /nfs/dbraw/zinc/25/44/25/326254425.db2.gz BLMDZZRFEGZNRD-RYUDHWBXSA-N 2 2 248.342 0.359 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC000567889996 326277233 /nfs/dbraw/zinc/27/72/33/326277233.db2.gz SYGQMMRKVVQEDK-JHJVBQTASA-N 2 2 242.363 0.770 20 0 BCADLP [NH3+]C1(C[NH2+]CC(=O)N2CCCC2)CCC1 ZINC000567890731 326277505 /nfs/dbraw/zinc/27/75/05/326277505.db2.gz COBCXOPOCFKADD-UHFFFAOYSA-N 2 2 211.309 0.080 20 0 BCADLP Cc1nc(C[NH+]2CCC3(CC[NH2+]C3)CC2)no1 ZINC000567899722 326279809 /nfs/dbraw/zinc/27/98/09/326279809.db2.gz RBEFPFAFOQWCDK-UHFFFAOYSA-N 2 2 236.319 0.954 20 0 BCADLP C[C@H](C(=O)N1CC(n2cc[nH+]c2)C1)[NH+]1CC(C)C1 ZINC000568198936 326325058 /nfs/dbraw/zinc/32/50/58/326325058.db2.gz MIHYPAZYZFMBIA-LLVKDONJSA-N 2 2 248.330 0.607 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000568208022 326326332 /nfs/dbraw/zinc/32/63/32/326326332.db2.gz SDGRNJNBQVTZJQ-LLVKDONJSA-N 2 2 239.363 0.537 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]1C(C)C ZINC000568247392 326333753 /nfs/dbraw/zinc/33/37/53/326333753.db2.gz LFZAKRYMXPCFKF-CHWSQXEVSA-N 2 2 244.379 0.656 20 0 BCADLP [NH3+]C1(c2noc(C[NH2+]CC3CC3)n2)CCC1 ZINC000568627211 326368470 /nfs/dbraw/zinc/36/84/70/326368470.db2.gz SFKKVRDCSSTJHI-UHFFFAOYSA-N 2 2 222.292 0.907 20 0 BCADLP C[C@@H](CC(=O)NCC1=CC[NH2+]CC1)n1cc[nH+]c1 ZINC000568776661 326377148 /nfs/dbraw/zinc/37/71/48/326377148.db2.gz YFHDFLLAUHANDD-NSHDSACASA-N 2 2 248.330 0.870 20 0 BCADLP Cc1noc(CCC[N@@H+]2CCC[C@@H]2C[NH3+])n1 ZINC000568884473 326381218 /nfs/dbraw/zinc/38/12/18/326381218.db2.gz MTWVYOOEISAAHE-SNVBAGLBSA-N 2 2 224.308 0.734 20 0 BCADLP Cc1noc(CCC[N@H+]2CCC[C@@H]2C[NH3+])n1 ZINC000568884473 326381220 /nfs/dbraw/zinc/38/12/20/326381220.db2.gz MTWVYOOEISAAHE-SNVBAGLBSA-N 2 2 224.308 0.734 20 0 BCADLP CC[C@H]([NH2+]Cc1c[nH+]c(C)n1C)C(=O)NC ZINC000569260167 326398391 /nfs/dbraw/zinc/39/83/91/326398391.db2.gz OKLVCAYPXIJTQZ-JTQLQIEISA-N 2 2 224.308 0.343 20 0 BCADLP [NH3+]CC[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000572842545 326414106 /nfs/dbraw/zinc/41/41/06/326414106.db2.gz HQLMRUIVGQVRRA-NEPJUHHUSA-N 3 2 227.352 0.163 20 0 BCADLP Cn1c[nH+]c(CNc2ccn(CC[NH+](C)C)n2)c1 ZINC000684841623 487972632 /nfs/dbraw/zinc/97/26/32/487972632.db2.gz KSWKJFYRKDCVKH-UHFFFAOYSA-N 2 2 248.334 0.790 20 0 BCADLP Cn1ncnc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000083970871 487976534 /nfs/dbraw/zinc/97/65/34/487976534.db2.gz GMKJTZGNUAUATL-SNVBAGLBSA-N 2 2 223.324 0.247 20 0 BCADLP Cn1ncnc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000083970871 487976537 /nfs/dbraw/zinc/97/65/37/487976537.db2.gz GMKJTZGNUAUATL-SNVBAGLBSA-N 2 2 223.324 0.247 20 0 BCADLP Cn1ncnc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000083971590 487977384 /nfs/dbraw/zinc/97/73/84/487977384.db2.gz XQJLWYIWIMVIAF-UHFFFAOYSA-N 2 2 223.324 0.376 20 0 BCADLP COC[C@@H](C)C[NH2+]CC[NH+]1CCC(OC)CC1 ZINC000682161926 487998915 /nfs/dbraw/zinc/99/89/15/487998915.db2.gz AAOAFTCPTBGNCY-LBPRGKRZSA-N 2 2 244.379 0.969 20 0 BCADLP NC(=O)[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667470600 488016188 /nfs/dbraw/zinc/01/61/88/488016188.db2.gz CYFRMJFFBXBUNV-SECBINFHSA-N 2 2 234.303 0.137 20 0 BCADLP NC(=O)[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667470600 488016191 /nfs/dbraw/zinc/01/61/91/488016191.db2.gz CYFRMJFFBXBUNV-SECBINFHSA-N 2 2 234.303 0.137 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](O)C2)n1C ZINC000667473791 488017189 /nfs/dbraw/zinc/01/71/89/488017189.db2.gz VUHGMTZIEUMWSC-NSHDSACASA-N 2 2 209.293 0.685 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H](O)C2)n1C ZINC000667473791 488017193 /nfs/dbraw/zinc/01/71/93/488017193.db2.gz VUHGMTZIEUMWSC-NSHDSACASA-N 2 2 209.293 0.685 20 0 BCADLP C[C@H](CO)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000121050767 490074558 /nfs/dbraw/zinc/07/45/58/490074558.db2.gz OJXVBVFQBFWOGZ-QWHCGFSZSA-N 2 2 242.363 0.269 20 0 BCADLP C[C@H](CO)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000121050767 490074561 /nfs/dbraw/zinc/07/45/61/490074561.db2.gz OJXVBVFQBFWOGZ-QWHCGFSZSA-N 2 2 242.363 0.269 20 0 BCADLP C[C@@H](CO)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000121050937 490074587 /nfs/dbraw/zinc/07/45/87/490074587.db2.gz OJXVBVFQBFWOGZ-CHWSQXEVSA-N 2 2 242.363 0.269 20 0 BCADLP C[C@@H](CO)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000121050937 490074590 /nfs/dbraw/zinc/07/45/90/490074590.db2.gz OJXVBVFQBFWOGZ-CHWSQXEVSA-N 2 2 242.363 0.269 20 0 BCADLP CCC[C@H]([NH3+])c1cn(Cc2c[nH+]cn2C)nn1 ZINC000229968853 488026930 /nfs/dbraw/zinc/02/69/30/488026930.db2.gz VXTNNLJHVUSEOM-JTQLQIEISA-N 2 2 234.307 0.860 20 0 BCADLP C[C@H](C(=O)NCc1c[nH+]cn1C)[NH+]1CC(C)C1 ZINC000514613564 488028371 /nfs/dbraw/zinc/02/83/71/488028371.db2.gz JOPJSWUAGOXQNB-SNVBAGLBSA-N 2 2 236.319 0.377 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655447516 488036672 /nfs/dbraw/zinc/03/66/72/488036672.db2.gz ZGMALGKWJAXYJM-GWCFXTLKSA-N 2 2 248.330 0.426 20 0 BCADLP C([N@H+](C1CC1)C1CC[NH2+]CC1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663494824 488044999 /nfs/dbraw/zinc/04/49/99/488044999.db2.gz KZHCIDUOMXZGIN-SMDDNHRTSA-N 3 2 235.375 0.812 20 0 BCADLP C([N@@H+](C1CC1)C1CC[NH2+]CC1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663494824 488045007 /nfs/dbraw/zinc/04/50/07/488045007.db2.gz KZHCIDUOMXZGIN-SMDDNHRTSA-N 3 2 235.375 0.812 20 0 BCADLP CO[C@]1(CO)CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000401895455 488072936 /nfs/dbraw/zinc/07/29/36/488072936.db2.gz WJROALVYUQEKJL-GFCCVEGCSA-N 2 2 239.319 0.356 20 0 BCADLP CO[C@]1(CO)CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000401895455 488072940 /nfs/dbraw/zinc/07/29/40/488072940.db2.gz WJROALVYUQEKJL-GFCCVEGCSA-N 2 2 239.319 0.356 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000249045092 488075115 /nfs/dbraw/zinc/07/51/15/488075115.db2.gz VSSCZTLNXPFKNV-CLLJXQQHSA-N 2 2 244.379 0.846 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000249045092 488075120 /nfs/dbraw/zinc/07/51/20/488075120.db2.gz VSSCZTLNXPFKNV-CLLJXQQHSA-N 2 2 244.379 0.846 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COC(C)C)C1 ZINC000389144569 488080084 /nfs/dbraw/zinc/08/00/84/488080084.db2.gz HXYDVKNWZGGPTB-QWHCGFSZSA-N 2 2 244.379 0.846 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COC(C)C)C1 ZINC000389144569 488080089 /nfs/dbraw/zinc/08/00/89/488080089.db2.gz HXYDVKNWZGGPTB-QWHCGFSZSA-N 2 2 244.379 0.846 20 0 BCADLP CO[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000230314954 488084266 /nfs/dbraw/zinc/08/42/66/488084266.db2.gz BWJYYGZYJYYZQT-QWRGUYRKSA-N 2 2 214.309 0.086 20 0 BCADLP CO[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000230314954 488084271 /nfs/dbraw/zinc/08/42/71/488084271.db2.gz BWJYYGZYJYYZQT-QWRGUYRKSA-N 2 2 214.309 0.086 20 0 BCADLP CC(C)C(=O)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000257771356 488087428 /nfs/dbraw/zinc/08/74/28/488087428.db2.gz NGSBCSMTGQZLAI-LBPRGKRZSA-N 2 2 239.363 0.396 20 0 BCADLP C[N@@H+]1CCN(C(=O)NCCC2CC2)[C@@H](C[NH3+])C1 ZINC000669504253 488091666 /nfs/dbraw/zinc/09/16/66/488091666.db2.gz CXJQYVMPUSEJEP-NSHDSACASA-N 2 2 240.351 0.071 20 0 BCADLP CC[N@H+](C[C@@H]1C[NH2+]CCO1)[C@@H]1CCCOC1 ZINC000402584697 488094731 /nfs/dbraw/zinc/09/47/31/488094731.db2.gz HDIAHSLFMQMDKU-NEPJUHHUSA-N 2 2 228.336 0.476 20 0 BCADLP CC[N@@H+](C[C@@H]1C[NH2+]CCO1)[C@@H]1CCCOC1 ZINC000402584697 488094734 /nfs/dbraw/zinc/09/47/34/488094734.db2.gz HDIAHSLFMQMDKU-NEPJUHHUSA-N 2 2 228.336 0.476 20 0 BCADLP COC1(CO)CC[NH+](CC[NH2+]C(C)(C)C)CC1 ZINC000402869909 488104938 /nfs/dbraw/zinc/10/49/38/488104938.db2.gz AABYNHBYNZVBCX-UHFFFAOYSA-N 2 2 244.379 0.848 20 0 BCADLP CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc(N)[nH+]c1 ZINC000669510393 488112433 /nfs/dbraw/zinc/11/24/33/488112433.db2.gz YWEIBWQELHYKQC-SECBINFHSA-N 2 2 222.292 0.976 20 0 BCADLP Cn1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)nn1 ZINC000389822264 488115004 /nfs/dbraw/zinc/11/50/04/488115004.db2.gz GRPKGKSFAJNWBQ-IUCAKERBSA-N 2 2 209.297 0.175 20 0 BCADLP C1SCC1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668692665 488121922 /nfs/dbraw/zinc/12/19/22/488121922.db2.gz LGEDZQOLTQQEOL-LBPRGKRZSA-N 2 2 242.388 0.945 20 0 BCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH+]1CCC1 ZINC000526008445 487539057 /nfs/dbraw/zinc/53/90/57/487539057.db2.gz QYIRYRURFTXJAH-UHFFFAOYSA-N 2 2 222.292 0.164 20 0 BCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH+]1CCC1 ZINC000526008445 487539060 /nfs/dbraw/zinc/53/90/60/487539060.db2.gz QYIRYRURFTXJAH-UHFFFAOYSA-N 2 2 222.292 0.164 20 0 BCADLP CCC1(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653089350 487539233 /nfs/dbraw/zinc/53/92/33/487539233.db2.gz GILGXPFVSJKDBF-SNVBAGLBSA-N 2 2 227.352 0.572 20 0 BCADLP CC[C@H](C)CN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653089056 487539426 /nfs/dbraw/zinc/53/94/26/487539426.db2.gz WMFMGJUKKSSMRC-QWRGUYRKSA-N 2 2 229.368 0.770 20 0 BCADLP CCNC(=O)C[N@H+](C)CCC[NH+](CC)CC ZINC000674264790 487542143 /nfs/dbraw/zinc/54/21/43/487542143.db2.gz OJVHCJVIKIURSE-UHFFFAOYSA-N 2 2 229.368 0.786 20 0 BCADLP CCNC(=O)C[N@@H+](C)CCC[NH+](CC)CC ZINC000674264790 487542148 /nfs/dbraw/zinc/54/21/48/487542148.db2.gz OJVHCJVIKIURSE-UHFFFAOYSA-N 2 2 229.368 0.786 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+](C)C[C@H](O)C1CC1)C1CC1 ZINC000685566371 487548793 /nfs/dbraw/zinc/54/87/93/487548793.db2.gz MKQDHQBTSPGQDY-OLZOCXBDSA-N 2 2 242.363 0.144 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+](C)C[C@H](O)C1CC1)C1CC1 ZINC000685566371 487548796 /nfs/dbraw/zinc/54/87/96/487548796.db2.gz MKQDHQBTSPGQDY-OLZOCXBDSA-N 2 2 242.363 0.144 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C[C@H](O)C1CC1 ZINC000685566371 487548799 /nfs/dbraw/zinc/54/87/99/487548799.db2.gz MKQDHQBTSPGQDY-OLZOCXBDSA-N 2 2 242.363 0.144 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C[C@H](O)C1CC1 ZINC000685566371 487548803 /nfs/dbraw/zinc/54/88/03/487548803.db2.gz MKQDHQBTSPGQDY-OLZOCXBDSA-N 2 2 242.363 0.144 20 0 BCADLP COC[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000685566203 487549025 /nfs/dbraw/zinc/54/90/25/487549025.db2.gz WHNYGWSZTUMDDB-STQMWFEESA-N 2 2 242.363 0.552 20 0 BCADLP COC[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000685566203 487549030 /nfs/dbraw/zinc/54/90/30/487549030.db2.gz WHNYGWSZTUMDDB-STQMWFEESA-N 2 2 242.363 0.552 20 0 BCADLP COC[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000685566203 487549035 /nfs/dbraw/zinc/54/90/35/487549035.db2.gz WHNYGWSZTUMDDB-STQMWFEESA-N 2 2 242.363 0.552 20 0 BCADLP COC[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000685566203 487549037 /nfs/dbraw/zinc/54/90/37/487549037.db2.gz WHNYGWSZTUMDDB-STQMWFEESA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C[C@@H](O)C1CC1)C1CC1 ZINC000685566372 487549178 /nfs/dbraw/zinc/54/91/78/487549178.db2.gz MKQDHQBTSPGQDY-QWHCGFSZSA-N 2 2 242.363 0.144 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+](C)C[C@@H](O)C1CC1)C1CC1 ZINC000685566372 487549182 /nfs/dbraw/zinc/54/91/82/487549182.db2.gz MKQDHQBTSPGQDY-QWHCGFSZSA-N 2 2 242.363 0.144 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C[C@@H](O)C1CC1 ZINC000685566372 487549185 /nfs/dbraw/zinc/54/91/85/487549185.db2.gz MKQDHQBTSPGQDY-QWHCGFSZSA-N 2 2 242.363 0.144 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C[C@@H](O)C1CC1 ZINC000685566372 487549188 /nfs/dbraw/zinc/54/91/88/487549188.db2.gz MKQDHQBTSPGQDY-QWHCGFSZSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H](CNC(=O)[C@H](C)[NH+](C)C)Cn1cc[nH+]c1 ZINC000674288972 487549604 /nfs/dbraw/zinc/54/96/04/487549604.db2.gz SXANJEDMTURINE-QWRGUYRKSA-N 2 2 238.335 0.586 20 0 BCADLP C[C@@H](C(=O)NCCCCn1cc[nH+]c1)[NH+](C)C ZINC000674289966 487551471 /nfs/dbraw/zinc/55/14/71/487551471.db2.gz YYXYHFKQFQDFBX-NSHDSACASA-N 2 2 238.335 0.730 20 0 BCADLP Cc1[nH+]cc(C[N@H+](C)C2(CO)CC2)n1C ZINC000668797443 487553730 /nfs/dbraw/zinc/55/37/30/487553730.db2.gz BWNYWAIDRPPYDJ-UHFFFAOYSA-N 2 2 209.293 0.685 20 0 BCADLP Cc1[nH+]cc(C[N@@H+](C)C2(CO)CC2)n1C ZINC000668797443 487553734 /nfs/dbraw/zinc/55/37/34/487553734.db2.gz BWNYWAIDRPPYDJ-UHFFFAOYSA-N 2 2 209.293 0.685 20 0 BCADLP C[C@H](O)C1([NH2+]Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000668702484 488137563 /nfs/dbraw/zinc/13/75/63/488137563.db2.gz JUPWPKSTJHHIMS-VIFPVBQESA-N 2 2 238.335 0.489 20 0 BCADLP CCc1nn(C)cc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000167855864 487472812 /nfs/dbraw/zinc/47/28/12/487472812.db2.gz RYYQTPNLOHRDFT-LLVKDONJSA-N 2 2 222.336 0.824 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](O)[C@H]2C)n1C ZINC000668225456 487483966 /nfs/dbraw/zinc/48/39/66/487483966.db2.gz NIFPEHMHRKLYMA-LDYMZIIASA-N 2 2 209.293 0.684 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](O)[C@H]2C)n1C ZINC000668225456 487483971 /nfs/dbraw/zinc/48/39/71/487483971.db2.gz NIFPEHMHRKLYMA-LDYMZIIASA-N 2 2 209.293 0.684 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000380770893 487486082 /nfs/dbraw/zinc/48/60/82/487486082.db2.gz YVPUVKOCUOECIL-MNOVXSKESA-N 2 2 227.352 0.585 20 0 BCADLP Cc1cc[nH+]c(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000405530065 487486331 /nfs/dbraw/zinc/48/63/31/487486331.db2.gz XWPCAXJWCLZLEH-NWDGAFQWSA-N 2 2 233.315 0.645 20 0 BCADLP Cc1cc[nH+]c(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000405530065 487486335 /nfs/dbraw/zinc/48/63/35/487486335.db2.gz XWPCAXJWCLZLEH-NWDGAFQWSA-N 2 2 233.315 0.645 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)[C@H](CC)CO1 ZINC000403884806 488141771 /nfs/dbraw/zinc/14/17/71/488141771.db2.gz VFCVCIUPWWGYET-UPJWGTAASA-N 2 2 242.363 0.864 20 0 BCADLP CN(CC[NH+](C)C)C(=O)CCCn1cc[nH+]c1 ZINC000673945950 487488399 /nfs/dbraw/zinc/48/83/99/487488399.db2.gz ZCWZAMSYKZOIPC-UHFFFAOYSA-N 2 2 238.335 0.683 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)[C@H](CC)CO1 ZINC000403884806 488141774 /nfs/dbraw/zinc/14/17/74/488141774.db2.gz VFCVCIUPWWGYET-UPJWGTAASA-N 2 2 242.363 0.864 20 0 BCADLP C[NH+](C)C1(C(=O)N2CC(n3cc[nH+]c3)C2)CC1 ZINC000668759360 487493187 /nfs/dbraw/zinc/49/31/87/487493187.db2.gz GXCDLUDXKFJXJL-UHFFFAOYSA-N 2 2 234.303 0.361 20 0 BCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000086272185 487496190 /nfs/dbraw/zinc/49/61/90/487496190.db2.gz NNKQJGZVTQGIGK-RKDXNWHRSA-N 2 2 222.292 0.366 20 0 BCADLP COC[C@@H](C[N@H+](C1CC1)[C@@H]1CC[NH2+]C1)OC ZINC000662266463 487502576 /nfs/dbraw/zinc/50/25/76/487502576.db2.gz ZYQVBGFXTXJMCT-VXGBXAGGSA-N 2 2 228.336 0.474 20 0 BCADLP COC[C@@H](C[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1)OC ZINC000662266463 487502582 /nfs/dbraw/zinc/50/25/82/487502582.db2.gz ZYQVBGFXTXJMCT-VXGBXAGGSA-N 2 2 228.336 0.474 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)COCC[NH3+] ZINC000086435040 487505934 /nfs/dbraw/zinc/50/59/34/487505934.db2.gz SQQJBGLQVUHVSD-UHFFFAOYSA-N 2 2 209.249 0.304 20 0 BCADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC(=O)N2)C[N@@H+]1C1CC1 ZINC000161715706 487512362 /nfs/dbraw/zinc/51/23/62/487512362.db2.gz UUVPORWFHSVHSB-DCAQKATOSA-N 2 2 237.347 0.480 20 0 BCADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC(=O)N2)C[N@H+]1C1CC1 ZINC000161715706 487512366 /nfs/dbraw/zinc/51/23/66/487512366.db2.gz UUVPORWFHSVHSB-DCAQKATOSA-N 2 2 237.347 0.480 20 0 BCADLP [NH3+][C@H]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000275776254 487515088 /nfs/dbraw/zinc/51/50/88/487515088.db2.gz PECAORNSRZXRNJ-WDEREUQCSA-N 2 2 236.319 0.659 20 0 BCADLP CCn1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)nn1 ZINC000404429503 488159682 /nfs/dbraw/zinc/15/96/82/488159682.db2.gz LEYTUWCAKAYIHM-NXEZZACHSA-N 2 2 223.324 0.658 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000393919985 490041129 /nfs/dbraw/zinc/04/11/29/490041129.db2.gz GBKALCBABQXHDR-NXEZZACHSA-N 2 2 213.325 0.324 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000393919985 490041132 /nfs/dbraw/zinc/04/11/32/490041132.db2.gz GBKALCBABQXHDR-NXEZZACHSA-N 2 2 213.325 0.324 20 0 BCADLP COCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986410 487561549 /nfs/dbraw/zinc/56/15/49/487561549.db2.gz TVZUYVOBNPZVBC-ZDUSSCGKSA-N 2 2 242.363 0.820 20 0 BCADLP COCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986410 487561554 /nfs/dbraw/zinc/56/15/54/487561554.db2.gz TVZUYVOBNPZVBC-ZDUSSCGKSA-N 2 2 242.363 0.820 20 0 BCADLP Cc1nc2[nH]ccc2c(N2C[C@H]3C[NH2+]C[C@@H]3C2)[nH+]1 ZINC000674336553 487561518 /nfs/dbraw/zinc/56/15/18/487561518.db2.gz JBMKFJYAWXWWLM-NXEZZACHSA-N 2 2 243.314 0.922 20 0 BCADLP c1nc2ccccn2c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000675246737 487683624 /nfs/dbraw/zinc/68/36/24/487683624.db2.gz VMKFTWJNTTUAPC-VXGBXAGGSA-N 2 2 242.326 0.986 20 0 BCADLP CCC[C@@H]([NH3+])c1cn(CCn2cc[nH+]c2)nn1 ZINC000229953435 488009135 /nfs/dbraw/zinc/00/91/35/488009135.db2.gz XLJPTBQLNDLUBU-SNVBAGLBSA-N 2 2 234.307 0.975 20 0 BCADLP CC[C@H]1C[N@H+](CCCS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000147421784 488015953 /nfs/dbraw/zinc/01/59/53/488015953.db2.gz ZIYKDLZWSUHVQQ-QWRGUYRKSA-N 2 2 248.392 0.480 20 0 BCADLP CC[C@H]1C[N@@H+](CCCS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000147421784 488015957 /nfs/dbraw/zinc/01/59/57/488015957.db2.gz ZIYKDLZWSUHVQQ-QWRGUYRKSA-N 2 2 248.392 0.480 20 0 BCADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655448168 488036950 /nfs/dbraw/zinc/03/69/50/488036950.db2.gz UBOSSTOPYANTAG-GXFFZTMASA-N 2 2 248.330 0.458 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655447519 488036995 /nfs/dbraw/zinc/03/69/95/488036995.db2.gz ZGMALGKWJAXYJM-ZWNOBZJWSA-N 2 2 248.330 0.426 20 0 BCADLP c1n[nH]cc1C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000685850289 488133281 /nfs/dbraw/zinc/13/32/81/488133281.db2.gz AGZKUMOMWWKVRS-UHFFFAOYSA-N 2 2 203.249 0.622 20 0 BCADLP c1n[nH]cc1C[N@H+]1CCn2c[nH+]cc2C1 ZINC000685850289 488133284 /nfs/dbraw/zinc/13/32/84/488133284.db2.gz AGZKUMOMWWKVRS-UHFFFAOYSA-N 2 2 203.249 0.622 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)[C@@H](CC)CO1 ZINC000403884807 488141564 /nfs/dbraw/zinc/14/15/64/488141564.db2.gz VFCVCIUPWWGYET-XQQFMLRXSA-N 2 2 242.363 0.864 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)[C@@H](CC)CO1 ZINC000403884807 488141568 /nfs/dbraw/zinc/14/15/68/488141568.db2.gz VFCVCIUPWWGYET-XQQFMLRXSA-N 2 2 242.363 0.864 20 0 BCADLP CCn1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)nn1 ZINC000404419396 488157025 /nfs/dbraw/zinc/15/70/25/488157025.db2.gz BIWYJPVYJFXOEB-GHMZBOCLSA-N 2 2 237.351 0.870 20 0 BCADLP CCn1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)nn1 ZINC000404419396 488157029 /nfs/dbraw/zinc/15/70/29/488157029.db2.gz BIWYJPVYJFXOEB-GHMZBOCLSA-N 2 2 237.351 0.870 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000657877441 488159403 /nfs/dbraw/zinc/15/94/03/488159403.db2.gz RJYBWYIPWBPLKF-WCQYABFASA-N 2 2 249.362 0.741 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000657877441 488159408 /nfs/dbraw/zinc/15/94/08/488159408.db2.gz RJYBWYIPWBPLKF-WCQYABFASA-N 2 2 249.362 0.741 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085359221 488163559 /nfs/dbraw/zinc/16/35/59/488163559.db2.gz ABCOTDBLGADXAK-MXWKQRLJSA-N 2 2 236.319 0.515 20 0 BCADLP Cc1ncccc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000380049780 488170648 /nfs/dbraw/zinc/17/06/48/488170648.db2.gz WPNXIRSVVKFQSS-LLVKDONJSA-N 2 2 209.293 0.141 20 0 BCADLP Cc1ncccc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000380049780 488170655 /nfs/dbraw/zinc/17/06/55/488170655.db2.gz WPNXIRSVVKFQSS-LLVKDONJSA-N 2 2 209.293 0.141 20 0 BCADLP Cc1nnsc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000380077997 488171577 /nfs/dbraw/zinc/17/15/77/488171577.db2.gz KDGBSADZVDXBIF-RKDXNWHRSA-N 2 2 224.333 0.498 20 0 BCADLP COCCC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000169169701 488171810 /nfs/dbraw/zinc/17/18/10/488171810.db2.gz CMAVLXBZGGIXDH-ZJUUUORDSA-N 2 2 202.298 0.071 20 0 BCADLP COCCC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000169169701 488171816 /nfs/dbraw/zinc/17/18/16/488171816.db2.gz CMAVLXBZGGIXDH-ZJUUUORDSA-N 2 2 202.298 0.071 20 0 BCADLP C[C@@H](CO)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000678044293 488178529 /nfs/dbraw/zinc/17/85/29/488178529.db2.gz OJXVBVFQBFWOGZ-OLZOCXBDSA-N 2 2 242.363 0.269 20 0 BCADLP C[C@@H](CO)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000678044293 488178533 /nfs/dbraw/zinc/17/85/33/488178533.db2.gz OJXVBVFQBFWOGZ-OLZOCXBDSA-N 2 2 242.363 0.269 20 0 BCADLP Cc1[nH+]cc(C[N@H+](C)CCCCO)n1C ZINC000668044925 488194003 /nfs/dbraw/zinc/19/40/03/488194003.db2.gz BVNWDGZPBNVGIW-UHFFFAOYSA-N 2 2 211.309 0.933 20 0 BCADLP Cc1[nH+]cc(C[N@@H+](C)CCCCO)n1C ZINC000668044925 488194007 /nfs/dbraw/zinc/19/40/07/488194007.db2.gz BVNWDGZPBNVGIW-UHFFFAOYSA-N 2 2 211.309 0.933 20 0 BCADLP CCCC[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000050888927 488196196 /nfs/dbraw/zinc/19/61/96/488196196.db2.gz AELINHWNIJPCSL-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000668152864 488210945 /nfs/dbraw/zinc/21/09/45/488210945.db2.gz AFKCVESVYARZPI-UWVGGRQHSA-N 2 2 227.352 0.583 20 0 BCADLP CC1(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000683769382 488218137 /nfs/dbraw/zinc/21/81/37/488218137.db2.gz SRPUZTNARAENGF-LLVKDONJSA-N 2 2 239.363 0.716 20 0 BCADLP CC1(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000683769382 488218141 /nfs/dbraw/zinc/21/81/41/488218141.db2.gz SRPUZTNARAENGF-LLVKDONJSA-N 2 2 239.363 0.716 20 0 BCADLP C[C@@H](CO)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000678722072 488279295 /nfs/dbraw/zinc/27/92/95/488279295.db2.gz SJKRQXKYEQIKAU-LLVKDONJSA-N 2 2 211.309 0.833 20 0 BCADLP C[C@@H](CO)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000678722072 488279297 /nfs/dbraw/zinc/27/92/97/488279297.db2.gz SJKRQXKYEQIKAU-LLVKDONJSA-N 2 2 211.309 0.833 20 0 BCADLP CC(C)[C@@H](C(=O)NCc1[nH+]ccn1C)[C@H](C)[NH3+] ZINC000399570350 490097597 /nfs/dbraw/zinc/09/75/97/490097597.db2.gz JXPMJEBWSOQDLI-GXSJLCMTSA-N 2 2 238.335 0.656 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)COCC)C1 ZINC000382210360 490136552 /nfs/dbraw/zinc/13/65/52/490136552.db2.gz KZMGNPFUSNRXEW-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)COCC)C1 ZINC000382210360 490136557 /nfs/dbraw/zinc/13/65/57/490136557.db2.gz KZMGNPFUSNRXEW-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COCC)C1 ZINC000382210348 490136978 /nfs/dbraw/zinc/13/69/78/490136978.db2.gz KZMGNPFUSNRXEW-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)COCC)C1 ZINC000382210348 490136982 /nfs/dbraw/zinc/13/69/82/490136982.db2.gz KZMGNPFUSNRXEW-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP C[N@@H+]1CCN(C(=O)Nc2ccccc2)[C@@H](C[NH3+])C1 ZINC000122663889 490159520 /nfs/dbraw/zinc/15/95/20/490159520.db2.gz VWSRBULBGXPEAT-LBPRGKRZSA-N 2 2 248.330 0.793 20 0 BCADLP C[N@H+]1CCN(C(=O)Nc2ccccc2)[C@@H](C[NH3+])C1 ZINC000122663889 490159524 /nfs/dbraw/zinc/15/95/24/490159524.db2.gz VWSRBULBGXPEAT-LBPRGKRZSA-N 2 2 248.330 0.793 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H](C[NH3+])C(F)(F)F)c[nH+]1 ZINC000655515236 490175086 /nfs/dbraw/zinc/17/50/86/490175086.db2.gz KVMKVXWDWWKROP-ZCFIWIBFSA-N 2 2 236.197 0.338 20 0 BCADLP C[C@H](CC1CC1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000070102429 490199888 /nfs/dbraw/zinc/19/98/88/490199888.db2.gz BTYTXLGTKALMPK-LLVKDONJSA-N 2 2 239.363 0.539 20 0 BCADLP CCN1CC[N@H+](CCC[NH3+])C(C)(C)C1=O ZINC000414765147 490211902 /nfs/dbraw/zinc/21/19/02/490211902.db2.gz ZFPYSOFCKYULRY-UHFFFAOYSA-N 2 2 213.325 0.278 20 0 BCADLP CCN1CC[N@@H+](CCC[NH3+])C(C)(C)C1=O ZINC000414765147 490211904 /nfs/dbraw/zinc/21/19/04/490211904.db2.gz ZFPYSOFCKYULRY-UHFFFAOYSA-N 2 2 213.325 0.278 20 0 BCADLP C[C@@H](CC1CC1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000070102428 490271058 /nfs/dbraw/zinc/27/10/58/490271058.db2.gz BTYTXLGTKALMPK-NSHDSACASA-N 2 2 239.363 0.539 20 0 BCADLP CCNC(=O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221780899 490413366 /nfs/dbraw/zinc/41/33/66/490413366.db2.gz FVNILHOZGYAYNX-UWVGGRQHSA-N 2 2 213.325 0.195 20 0 BCADLP CCNC(=O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221780899 490413374 /nfs/dbraw/zinc/41/33/74/490413374.db2.gz FVNILHOZGYAYNX-UWVGGRQHSA-N 2 2 213.325 0.195 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cn[nH]c1 ZINC000309745567 491155832 /nfs/dbraw/zinc/15/58/32/491155832.db2.gz FLSSODZYUPNQFI-BXKDBHETSA-N 2 2 220.320 0.982 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cn[nH]c1 ZINC000309745567 491155833 /nfs/dbraw/zinc/15/58/33/491155833.db2.gz FLSSODZYUPNQFI-BXKDBHETSA-N 2 2 220.320 0.982 20 0 BCADLP C[C@H]1C[NH+]=C(NC(=O)/C=C\C[NH+](C)C)S1 ZINC000493296927 534002955 /nfs/dbraw/zinc/00/29/55/534002955.db2.gz WRHYHGWUVBUREL-LGYSABEFSA-N 2 2 227.333 0.712 20 0 BCADLP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261558488 535649007 /nfs/dbraw/zinc/64/90/07/535649007.db2.gz SPHGHDKAGRNLGJ-SRVKXCTJSA-N 2 2 240.347 0.869 20 0 BCADLP CCOC(=O)[C@H](CC)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261558488 535649009 /nfs/dbraw/zinc/64/90/09/535649009.db2.gz SPHGHDKAGRNLGJ-SRVKXCTJSA-N 2 2 240.347 0.869 20 0 BCADLP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261558489 535648883 /nfs/dbraw/zinc/64/88/83/535648883.db2.gz SPHGHDKAGRNLGJ-TUAOUCFPSA-N 2 2 240.347 0.869 20 0 BCADLP CCOC(=O)[C@H](CC)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261558489 535648891 /nfs/dbraw/zinc/64/88/91/535648891.db2.gz SPHGHDKAGRNLGJ-TUAOUCFPSA-N 2 2 240.347 0.869 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250344393 535955107 /nfs/dbraw/zinc/95/51/07/535955107.db2.gz FHYHZIZHPBDJHO-FRRDWIJNSA-N 3 2 241.379 0.125 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250344393 535955112 /nfs/dbraw/zinc/95/51/12/535955112.db2.gz FHYHZIZHPBDJHO-FRRDWIJNSA-N 3 2 241.379 0.125 20 0 BCADLP CCn1c(C)nnc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351849066 535974873 /nfs/dbraw/zinc/97/48/73/535974873.db2.gz FJCNNUVLYZYJMR-ONGXEEELSA-N 2 2 237.351 0.776 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493706358 534271368 /nfs/dbraw/zinc/27/13/68/534271368.db2.gz LXMQNCWDGXUKDW-PBKGFPTLSA-N 2 2 245.286 0.824 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)NCC1([NH3+])CCC1 ZINC000892053251 582775900 /nfs/dbraw/zinc/77/59/00/582775900.db2.gz IQEGPFUPDIBCNR-UHFFFAOYSA-N 2 2 237.307 0.101 20 0 BCADLP CC(=O)N[C@@H](C)C1CC[NH+](CC[NH3+])CC1 ZINC000261538018 534538237 /nfs/dbraw/zinc/53/82/37/534538237.db2.gz XDWOBZTZWDHJNN-VIFPVBQESA-N 2 2 213.325 0.182 20 0 BCADLP CNC(=O)[C@H]([NH2+]Cc1c[nH+]cn1C)C(C)C ZINC000178951639 536382479 /nfs/dbraw/zinc/38/24/79/536382479.db2.gz DFEDDTJXKAMWHC-SNVBAGLBSA-N 2 2 224.308 0.280 20 0 BCADLP C[N@@H+]1CCC[C@]2(CC[NH+]([C@H]3CCNC3=O)C2)C1 ZINC000335931904 536395197 /nfs/dbraw/zinc/39/51/97/536395197.db2.gz YBDLZECEBCLTPI-AAEUAGOBSA-N 2 2 237.347 0.293 20 0 BCADLP C[N@H+]1CCC[C@]2(CC[NH+]([C@H]3CCNC3=O)C2)C1 ZINC000335931904 536395200 /nfs/dbraw/zinc/39/52/00/536395200.db2.gz YBDLZECEBCLTPI-AAEUAGOBSA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+]1CCC[C@]2(CC[N@@H+]([C@H]3CCNC3=O)C2)C1 ZINC000335931904 536395202 /nfs/dbraw/zinc/39/52/02/536395202.db2.gz YBDLZECEBCLTPI-AAEUAGOBSA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+]1CCC[C@]2(CC[N@H+]([C@H]3CCNC3=O)C2)C1 ZINC000335931904 536395205 /nfs/dbraw/zinc/39/52/05/536395205.db2.gz YBDLZECEBCLTPI-AAEUAGOBSA-N 2 2 237.347 0.293 20 0 BCADLP O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000493798140 534803171 /nfs/dbraw/zinc/80/31/71/534803171.db2.gz WCRHZAQQPIFIAJ-PNDGHQIGSA-N 2 2 246.314 0.776 20 0 BCADLP O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000493798140 534803176 /nfs/dbraw/zinc/80/31/76/534803176.db2.gz WCRHZAQQPIFIAJ-PNDGHQIGSA-N 2 2 246.314 0.776 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C1CCSCC1 ZINC000225328068 536411205 /nfs/dbraw/zinc/41/12/05/536411205.db2.gz APNIGMPMZWZBKC-LBPRGKRZSA-N 2 2 243.420 0.717 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C1CCSCC1 ZINC000225328068 536411207 /nfs/dbraw/zinc/41/12/07/536411207.db2.gz APNIGMPMZWZBKC-LBPRGKRZSA-N 2 2 243.420 0.717 20 0 BCADLP CC[N@H+](C)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493675191 527793573 /nfs/dbraw/zinc/79/35/73/527793573.db2.gz QNQODOHFZZOWNY-SNAWJCMRSA-N 2 2 222.292 0.491 20 0 BCADLP CC[N@@H+](C)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493675191 527793576 /nfs/dbraw/zinc/79/35/76/527793576.db2.gz QNQODOHFZZOWNY-SNAWJCMRSA-N 2 2 222.292 0.491 20 0 BCADLP CC[N@@H+]1CC[C@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493797145 527812232 /nfs/dbraw/zinc/81/22/32/527812232.db2.gz XGZCLQVOCNJAQV-DLRQAJBASA-N 2 2 248.330 0.881 20 0 BCADLP CC[N@H+]1CC[C@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493797145 527812237 /nfs/dbraw/zinc/81/22/37/527812237.db2.gz XGZCLQVOCNJAQV-DLRQAJBASA-N 2 2 248.330 0.881 20 0 BCADLP CCC[NH+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493525921 528237114 /nfs/dbraw/zinc/23/71/14/528237114.db2.gz NLTIUIOKYFSQAP-ONEGZZNKSA-N 2 2 248.330 0.977 20 0 BCADLP CC(C)[C@@H](CO)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000308658721 528484007 /nfs/dbraw/zinc/48/40/07/528484007.db2.gz PDBZRTDKDNOHDZ-OUAUKWLOSA-N 2 2 200.326 0.543 20 0 BCADLP CC(C)[C@@H](CO)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000308658721 528484013 /nfs/dbraw/zinc/48/40/13/528484013.db2.gz PDBZRTDKDNOHDZ-OUAUKWLOSA-N 2 2 200.326 0.543 20 0 BCADLP CC(C)[NH+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492856328 529028048 /nfs/dbraw/zinc/02/80/48/529028048.db2.gz BSPDQXLISDBNON-ARJAWSKDSA-N 2 2 248.330 0.976 20 0 BCADLP CC(C)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000335307583 535087355 /nfs/dbraw/zinc/08/73/55/535087355.db2.gz NXRYPWOPRWPGDM-LBPRGKRZSA-N 2 2 239.363 0.539 20 0 BCADLP CC(C)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000335307583 535087359 /nfs/dbraw/zinc/08/73/59/535087359.db2.gz NXRYPWOPRWPGDM-LBPRGKRZSA-N 2 2 239.363 0.539 20 0 BCADLP CC(C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000257970591 535177547 /nfs/dbraw/zinc/17/75/47/535177547.db2.gz DJPHWXRVVTUESE-NSHDSACASA-N 2 2 225.336 0.291 20 0 BCADLP CC(C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000257970591 535177551 /nfs/dbraw/zinc/17/75/51/535177551.db2.gz DJPHWXRVVTUESE-NSHDSACASA-N 2 2 225.336 0.291 20 0 BCADLP CC(C)(O)C[NH+]1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000179358494 535307139 /nfs/dbraw/zinc/30/71/39/535307139.db2.gz AYRQPPARZJYJDQ-UHFFFAOYSA-N 2 2 238.335 0.298 20 0 BCADLP CC(C)(O)C[NH+]1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000179358494 535307146 /nfs/dbraw/zinc/30/71/46/535307146.db2.gz AYRQPPARZJYJDQ-UHFFFAOYSA-N 2 2 238.335 0.298 20 0 BCADLP CCN(CC)C(=O)C1CC[NH+](CC[NH3+])CC1 ZINC000258600159 535397086 /nfs/dbraw/zinc/39/70/86/535397086.db2.gz ADTGRUUKVLXYDE-UHFFFAOYSA-N 2 2 227.352 0.526 20 0 BCADLP CCO[C@@H]1C[C@H](O)C12CC[NH+](CC[NH3+])CC2 ZINC000262915796 535520978 /nfs/dbraw/zinc/52/09/78/535520978.db2.gz GFNXLOWSILEYRR-WDEREUQCSA-N 2 2 228.336 0.197 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886526 535626114 /nfs/dbraw/zinc/62/61/14/535626114.db2.gz HSRAJVREWUPWBZ-UTLUCORTSA-N 2 2 214.309 0.607 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886526 535626116 /nfs/dbraw/zinc/62/61/16/535626116.db2.gz HSRAJVREWUPWBZ-UTLUCORTSA-N 2 2 214.309 0.607 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261571356 535626377 /nfs/dbraw/zinc/62/63/77/535626377.db2.gz HMZIGZHRWBRFQT-CMPLNLGQSA-N 2 2 226.320 0.623 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261571356 535626381 /nfs/dbraw/zinc/62/63/81/535626381.db2.gz HMZIGZHRWBRFQT-CMPLNLGQSA-N 2 2 226.320 0.623 20 0 BCADLP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261558490 535647937 /nfs/dbraw/zinc/64/79/37/535647937.db2.gz SPHGHDKAGRNLGJ-UTUOFQBUSA-N 2 2 240.347 0.869 20 0 BCADLP CCOC(=O)[C@H](CC)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261558490 535647942 /nfs/dbraw/zinc/64/79/42/535647942.db2.gz SPHGHDKAGRNLGJ-UTUOFQBUSA-N 2 2 240.347 0.869 20 0 BCADLP CCN1CC[N@H+](C[C@@H]2CCC[NH2+]C2)[C@@H](C)C1=O ZINC000261986913 535710216 /nfs/dbraw/zinc/71/02/16/535710216.db2.gz RZEJLASCEXONBU-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP CCN1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H](C)C1=O ZINC000261986913 535710222 /nfs/dbraw/zinc/71/02/22/535710222.db2.gz RZEJLASCEXONBU-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000347783058 535964408 /nfs/dbraw/zinc/96/44/08/535964408.db2.gz MHIKGHYBZOJOIY-GFCCVEGCSA-N 3 2 236.363 0.846 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000347783058 535964413 /nfs/dbraw/zinc/96/44/13/535964413.db2.gz MHIKGHYBZOJOIY-GFCCVEGCSA-N 3 2 236.363 0.846 20 0 BCADLP CCn1c(C)nnc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351849066 535974868 /nfs/dbraw/zinc/97/48/68/535974868.db2.gz FJCNNUVLYZYJMR-ONGXEEELSA-N 2 2 237.351 0.776 20 0 BCADLP CN(C)C(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000169085791 536074264 /nfs/dbraw/zinc/07/42/64/536074264.db2.gz SAJNPNIPCFRSHY-MNOVXSKESA-N 2 2 225.336 0.291 20 0 BCADLP CN(C)C(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000169085791 536074268 /nfs/dbraw/zinc/07/42/68/536074268.db2.gz SAJNPNIPCFRSHY-MNOVXSKESA-N 2 2 225.336 0.291 20 0 BCADLP C[NH+]1CCC(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263057498 536342602 /nfs/dbraw/zinc/34/26/02/536342602.db2.gz VASRUSCJVPLSNO-VIFPVBQESA-N 2 2 247.289 0.194 20 0 BCADLP CNC(=O)[C@@H]([NH2+]Cc1c[nH+]cn1C)C(C)C ZINC000178951627 536354521 /nfs/dbraw/zinc/35/45/21/536354521.db2.gz DFEDDTJXKAMWHC-JTQLQIEISA-N 2 2 224.308 0.280 20 0 BCADLP CO[C@H]1CCN(Cc2[nH+]ccn2C)[C@H](C[NH3+])C1 ZINC000252774422 536751843 /nfs/dbraw/zinc/75/18/43/536751843.db2.gz NVSXFVGYQYUTTH-QWRGUYRKSA-N 2 2 238.335 0.358 20 0 BCADLP COC[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000262017589 536785621 /nfs/dbraw/zinc/78/56/21/536785621.db2.gz MVXHWHHFUYJICM-RYUDHWBXSA-N 2 2 228.336 0.333 20 0 BCADLP COC[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000262017589 536785626 /nfs/dbraw/zinc/78/56/26/536785626.db2.gz MVXHWHHFUYJICM-RYUDHWBXSA-N 2 2 228.336 0.333 20 0 BCADLP COC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)OC ZINC000227704727 536853992 /nfs/dbraw/zinc/85/39/92/536853992.db2.gz WNIHNXUDWYVNIK-WZRBSPASSA-N 2 2 242.363 0.863 20 0 BCADLP COC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)OC ZINC000227704727 536853997 /nfs/dbraw/zinc/85/39/97/536853997.db2.gz WNIHNXUDWYVNIK-WZRBSPASSA-N 2 2 242.363 0.863 20 0 BCADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000323926732 566367931 /nfs/dbraw/zinc/36/79/31/566367931.db2.gz WQUJLSFJPBJFIN-GFCCVEGCSA-N 2 2 239.363 0.539 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)c1ccccn1 ZINC000853097393 588719746 /nfs/dbraw/zinc/71/97/46/588719746.db2.gz AMSQIKQKXBKVRN-WCQYABFASA-N 2 2 246.314 0.990 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)c1ccccn1 ZINC000853099968 588720083 /nfs/dbraw/zinc/72/00/83/588720083.db2.gz WNLPASVCUQMCNZ-DGCLKSJQSA-N 2 2 235.331 0.799 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)c1ccccn1 ZINC000853099968 588720084 /nfs/dbraw/zinc/72/00/84/588720084.db2.gz WNLPASVCUQMCNZ-DGCLKSJQSA-N 2 2 235.331 0.799 20 0 BCADLP C[N@@H+]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000854177070 588778218 /nfs/dbraw/zinc/77/82/18/588778218.db2.gz CAGZYFNHOSOXKO-UHFFFAOYSA-N 2 2 222.292 0.116 20 0 BCADLP C[N@H+]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000854177070 588778219 /nfs/dbraw/zinc/77/82/19/588778219.db2.gz CAGZYFNHOSOXKO-UHFFFAOYSA-N 2 2 222.292 0.116 20 0 BCADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ncccn1 ZINC000854226929 588780560 /nfs/dbraw/zinc/78/05/60/588780560.db2.gz FWOVOJCORSCCIQ-GHMZBOCLSA-N 2 2 220.320 0.954 20 0 BCADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ncccn1 ZINC000854226934 588780621 /nfs/dbraw/zinc/78/06/21/588780621.db2.gz FWOVOJCORSCCIQ-WDEREUQCSA-N 2 2 220.320 0.954 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000854231149 588781397 /nfs/dbraw/zinc/78/13/97/588781397.db2.gz FHQPVMICXMHIJN-WPRPVWTQSA-N 2 2 208.309 0.985 20 0 BCADLP C[N@@H+]1C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C1 ZINC000854600502 588796604 /nfs/dbraw/zinc/79/66/04/588796604.db2.gz WLXIGBICRRJWQF-ZJUUUORDSA-N 2 2 234.303 0.115 20 0 BCADLP C[N@H+]1C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C1 ZINC000854600502 588796605 /nfs/dbraw/zinc/79/66/05/588796605.db2.gz WLXIGBICRRJWQF-ZJUUUORDSA-N 2 2 234.303 0.115 20 0 BCADLP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854651292 588799397 /nfs/dbraw/zinc/79/93/97/588799397.db2.gz WGERQRNIYZABIT-VHSXEESVSA-N 2 2 236.319 0.503 20 0 BCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854668607 588800235 /nfs/dbraw/zinc/80/02/35/588800235.db2.gz XDKQQPLUJMDULL-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854668607 588800236 /nfs/dbraw/zinc/80/02/36/588800236.db2.gz XDKQQPLUJMDULL-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP C/C=C/C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855417245 588832181 /nfs/dbraw/zinc/83/21/81/588832181.db2.gz WBLSBWDXKNQMNZ-FNORWQNLSA-N 2 2 227.352 0.562 20 0 BCADLP C/C=C/C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855417245 588832182 /nfs/dbraw/zinc/83/21/82/588832182.db2.gz WBLSBWDXKNQMNZ-FNORWQNLSA-N 2 2 227.352 0.562 20 0 BCADLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC000855417199 588832357 /nfs/dbraw/zinc/83/23/57/588832357.db2.gz DPUREYWDBIKSHM-SECBINFHSA-N 2 2 224.308 0.409 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cnn(C)n2)[C@@H](C)C1 ZINC000806167363 582517682 /nfs/dbraw/zinc/51/76/82/582517682.db2.gz SQFAVGWIZIVLHQ-CMPLNLGQSA-N 2 2 237.351 0.635 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cnn(C)n2)[C@@H](C)C1 ZINC000806167363 582517684 /nfs/dbraw/zinc/51/76/84/582517684.db2.gz SQFAVGWIZIVLHQ-CMPLNLGQSA-N 2 2 237.351 0.635 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCc1[nH+]ccn1C ZINC000891506963 582693672 /nfs/dbraw/zinc/69/36/72/582693672.db2.gz NCVOBYUBSZIDPL-DTWKUNHWSA-N 2 2 237.307 0.051 20 0 BCADLP [NH3+]C[C@H]1CCCN1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000891925996 582739323 /nfs/dbraw/zinc/73/93/23/582739323.db2.gz CNPFRONDUXFHTF-NXEZZACHSA-N 2 2 249.318 0.461 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000891927716 582739337 /nfs/dbraw/zinc/73/93/37/582739337.db2.gz NOJQPQNAQOKVCS-UTLUCORTSA-N 2 2 249.318 0.459 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000892049483 582773911 /nfs/dbraw/zinc/77/39/11/582773911.db2.gz WJVPJYUUMXCOCW-SECBINFHSA-N 2 2 237.307 0.288 20 0 BCADLP Cn1nc2c(c1C[NH+]1C[C@H]3C[NH2+]C[C@@H]3C1)CCC2 ZINC000892250572 582813398 /nfs/dbraw/zinc/81/33/98/582813398.db2.gz AKQVAIDWNOAORS-GHMZBOCLSA-N 2 2 246.358 0.560 20 0 BCADLP CCCCNC(=[NH2+])NCC[NH+]1CCSCC1 ZINC000849005666 582822684 /nfs/dbraw/zinc/82/26/84/582822684.db2.gz PNPPBHCWIAADBG-UHFFFAOYSA-N 2 2 244.408 0.949 20 0 BCADLP COCCOC[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000892567260 582915266 /nfs/dbraw/zinc/91/52/66/582915266.db2.gz RLFVFVPOKZAYTJ-NEPJUHHUSA-N 2 2 241.335 0.913 20 0 BCADLP CC(=O)OC[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000892567303 582915757 /nfs/dbraw/zinc/91/57/57/582915757.db2.gz SBCHAPZSZJHDHH-VHSXEESVSA-N 2 2 225.292 0.813 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H](CO)CC1CC1 ZINC000394416431 582968867 /nfs/dbraw/zinc/96/88/67/582968867.db2.gz JZGULYCOJWXZQV-ADEWGFFLSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H](CO)CC1CC1 ZINC000394416431 582968868 /nfs/dbraw/zinc/96/88/68/582968868.db2.gz JZGULYCOJWXZQV-ADEWGFFLSA-N 2 2 212.337 0.687 20 0 BCADLP CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H](C)[NH2+]1 ZINC000856408357 588871846 /nfs/dbraw/zinc/87/18/46/588871846.db2.gz LAWLANQRQAVVLQ-VHSXEESVSA-N 2 2 236.319 0.551 20 0 BCADLP C[NH+]1CCN(C(=O)C[NH2+]C2CC(C)(C)C2)CC1 ZINC000395170404 583046803 /nfs/dbraw/zinc/04/68/03/583046803.db2.gz HGBDJJQCJVMXIO-UHFFFAOYSA-N 2 2 239.363 0.539 20 0 BCADLP CCn1ncc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000857084431 588886308 /nfs/dbraw/zinc/88/63/08/588886308.db2.gz SLVFPKYSNOYDOG-NXEZZACHSA-N 2 2 223.324 0.467 20 0 BCADLP CCn1ncc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000857084431 588886310 /nfs/dbraw/zinc/88/63/10/588886310.db2.gz SLVFPKYSNOYDOG-NXEZZACHSA-N 2 2 223.324 0.467 20 0 BCADLP [NH3+][C@]12CCC[C@H]1C[N@@H+]([C@H]1CCOC1=O)C2 ZINC000857087811 588887099 /nfs/dbraw/zinc/88/70/99/588887099.db2.gz VTNTXQUMMRAHET-QXEWZRGKSA-N 2 2 210.277 0.115 20 0 BCADLP [NH3+][C@]12CCC[C@H]1C[N@H+]([C@H]1CCOC1=O)C2 ZINC000857087811 588887100 /nfs/dbraw/zinc/88/71/00/588887100.db2.gz VTNTXQUMMRAHET-QXEWZRGKSA-N 2 2 210.277 0.115 20 0 BCADLP CCn1ncc(C[NH+]2CCC3(CC[NH2+]3)CC2)n1 ZINC000857087197 588887158 /nfs/dbraw/zinc/88/71/58/588887158.db2.gz PIHFMZUJQAESSJ-UHFFFAOYSA-N 2 2 235.335 0.626 20 0 BCADLP Cc1nc(N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc[nH+]1 ZINC000893938443 583253604 /nfs/dbraw/zinc/25/36/04/583253604.db2.gz COTQOOAMZBNGSX-QWRGUYRKSA-N 2 2 218.304 0.925 20 0 BCADLP Cc1nc(N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc[nH+]1 ZINC000893938443 583253605 /nfs/dbraw/zinc/25/36/05/583253605.db2.gz COTQOOAMZBNGSX-QWRGUYRKSA-N 2 2 218.304 0.925 20 0 BCADLP O=C(C[NH2+]Cc1c[nH+]c[nH]1)NCc1ccco1 ZINC000894166909 583323402 /nfs/dbraw/zinc/32/34/02/583323402.db2.gz WBUNZXNIVSZBGH-UHFFFAOYSA-N 2 2 234.259 0.409 20 0 BCADLP C[C@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000747985530 583416990 /nfs/dbraw/zinc/41/69/90/583416990.db2.gz JQNYWXMTZJTHGT-RYUDHWBXSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000747985530 583416992 /nfs/dbraw/zinc/41/69/92/583416992.db2.gz JQNYWXMTZJTHGT-RYUDHWBXSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC000747985530 583416993 /nfs/dbraw/zinc/41/69/93/583416993.db2.gz JQNYWXMTZJTHGT-RYUDHWBXSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000747985530 583416994 /nfs/dbraw/zinc/41/69/94/583416994.db2.gz JQNYWXMTZJTHGT-RYUDHWBXSA-N 2 2 239.363 0.633 20 0 BCADLP CC(C)(C)N1C[C@H]([NH2+]Cc2c[nH+]c[nH]2)CC1=O ZINC000894325875 583423652 /nfs/dbraw/zinc/42/36/52/583423652.db2.gz LULYUFLZRTYGMR-SECBINFHSA-N 2 2 236.319 0.899 20 0 BCADLP O=C1CCN1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000857233128 588898380 /nfs/dbraw/zinc/89/83/80/588898380.db2.gz XBEDTSXQKSRYHR-NSHDSACASA-N 2 2 234.303 0.710 20 0 BCADLP O=C1CCN1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000857233128 588898381 /nfs/dbraw/zinc/89/83/81/588898381.db2.gz XBEDTSXQKSRYHR-NSHDSACASA-N 2 2 234.303 0.710 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@@H+](C)C[C@@H](C)O ZINC000894450577 583463693 /nfs/dbraw/zinc/46/36/93/583463693.db2.gz LLDNGUBDHRSXKW-SECBINFHSA-N 2 2 209.293 0.785 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@H+](C)C[C@@H](C)O ZINC000894450577 583463696 /nfs/dbraw/zinc/46/36/96/583463696.db2.gz LLDNGUBDHRSXKW-SECBINFHSA-N 2 2 209.293 0.785 20 0 BCADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCn1cncn1 ZINC000880131187 583470739 /nfs/dbraw/zinc/47/07/39/583470739.db2.gz HXYMUPHDNBXIPK-RYUDHWBXSA-N 2 2 235.335 0.447 20 0 BCADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCn1cncn1 ZINC000880131187 583470740 /nfs/dbraw/zinc/47/07/40/583470740.db2.gz HXYMUPHDNBXIPK-RYUDHWBXSA-N 2 2 235.335 0.447 20 0 BCADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCn1cncn1 ZINC000880131187 583470741 /nfs/dbraw/zinc/47/07/41/583470741.db2.gz HXYMUPHDNBXIPK-RYUDHWBXSA-N 2 2 235.335 0.447 20 0 BCADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCn1cncn1 ZINC000880131187 583470742 /nfs/dbraw/zinc/47/07/42/583470742.db2.gz HXYMUPHDNBXIPK-RYUDHWBXSA-N 2 2 235.335 0.447 20 0 BCADLP CNC(=O)CCC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880141447 583475657 /nfs/dbraw/zinc/47/56/57/583475657.db2.gz IMXODQIAWMGENI-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP CNC(=O)CCC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880141447 583475658 /nfs/dbraw/zinc/47/56/58/583475658.db2.gz IMXODQIAWMGENI-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP CNC(=O)CCC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880141447 583475659 /nfs/dbraw/zinc/47/56/59/583475659.db2.gz IMXODQIAWMGENI-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP CNC(=O)CCC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880141447 583475660 /nfs/dbraw/zinc/47/56/60/583475660.db2.gz IMXODQIAWMGENI-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP Cc1ncoc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000894582394 583488632 /nfs/dbraw/zinc/48/86/32/583488632.db2.gz ZHTFCMQJLCZDRW-PHIMTYICSA-N 2 2 221.304 0.976 20 0 BCADLP Cc1ncoc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000894582394 583488634 /nfs/dbraw/zinc/48/86/34/583488634.db2.gz ZHTFCMQJLCZDRW-PHIMTYICSA-N 2 2 221.304 0.976 20 0 BCADLP Cc1ncoc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000894582394 583488635 /nfs/dbraw/zinc/48/86/35/583488635.db2.gz ZHTFCMQJLCZDRW-PHIMTYICSA-N 2 2 221.304 0.976 20 0 BCADLP Cc1ncoc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000894582394 583488637 /nfs/dbraw/zinc/48/86/37/583488637.db2.gz ZHTFCMQJLCZDRW-PHIMTYICSA-N 2 2 221.304 0.976 20 0 BCADLP CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1c[nH+]c[nH]1 ZINC000894691635 583508072 /nfs/dbraw/zinc/50/80/72/583508072.db2.gz ZQJNGSIRFQSKLY-ONGXEEELSA-N 2 2 241.335 0.657 20 0 BCADLP Cc1cc(N)nc(NC[C@H]2COCC[N@H+]2C)[nH+]1 ZINC000894760896 583518448 /nfs/dbraw/zinc/51/84/48/583518448.db2.gz NZUCAOFSCAZJGF-VIFPVBQESA-N 2 2 237.307 0.110 20 0 BCADLP Cc1cc(N)nc(NC[C@H]2COCC[N@@H+]2C)[nH+]1 ZINC000894760896 583518449 /nfs/dbraw/zinc/51/84/49/583518449.db2.gz NZUCAOFSCAZJGF-VIFPVBQESA-N 2 2 237.307 0.110 20 0 BCADLP CC(=O)OC[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000894843348 583530692 /nfs/dbraw/zinc/53/06/92/583530692.db2.gz MMFDORBLSHPZIR-SECBINFHSA-N 2 2 225.292 0.504 20 0 BCADLP CC[C@H]([NH2+]Cc1c[nH+]c[nH]1)[C@H](O)C(F)F ZINC000894881635 583544282 /nfs/dbraw/zinc/54/42/82/583544282.db2.gz SAIAZFZNOQITKB-YUMQZZPRSA-N 2 2 219.235 0.904 20 0 BCADLP C[C@H](Cc1cnn(C)c1)[NH2+]Cc1c[nH+]c[nH]1 ZINC000894911022 583554598 /nfs/dbraw/zinc/55/45/98/583554598.db2.gz CMTNFCCGBGHVES-SECBINFHSA-N 2 2 219.292 0.864 20 0 BCADLP COCCOC[C@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000894957680 583559076 /nfs/dbraw/zinc/55/90/76/583559076.db2.gz YBDMZMQXQANVHG-NSHDSACASA-N 2 2 230.352 0.722 20 0 BCADLP COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1c[nH+]c[nH]1)C2 ZINC000895458819 583677420 /nfs/dbraw/zinc/67/74/20/583677420.db2.gz ZOPPQINNPYJTCN-PTRXPTGYSA-N 2 2 235.287 0.841 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)n1C ZINC000895654877 583700991 /nfs/dbraw/zinc/70/09/91/583700991.db2.gz UIQGEWTWULGEQP-MWLCHTKSSA-N 2 2 207.277 0.295 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)n1C ZINC000895654877 583700993 /nfs/dbraw/zinc/70/09/93/583700993.db2.gz UIQGEWTWULGEQP-MWLCHTKSSA-N 2 2 207.277 0.295 20 0 BCADLP Cc1cc(N)nc(NC[C@@H]2CC[N@H+]2C)[nH+]1 ZINC000895766532 583719082 /nfs/dbraw/zinc/71/90/82/583719082.db2.gz DSSRLRNVDCERSI-QMMMGPOBSA-N 2 2 207.281 0.483 20 0 BCADLP Cc1cc(N)nc(NC[C@@H]2CC[N@@H+]2C)[nH+]1 ZINC000895766532 583719083 /nfs/dbraw/zinc/71/90/83/583719083.db2.gz DSSRLRNVDCERSI-QMMMGPOBSA-N 2 2 207.281 0.483 20 0 BCADLP C[N@@H+]1CC[C@H]1CNc1nccn2c[nH+]cc12 ZINC000895768380 583724434 /nfs/dbraw/zinc/72/44/34/583724434.db2.gz YTJOZXMJYYSMTC-VIFPVBQESA-N 2 2 217.276 0.845 20 0 BCADLP C[N@H+]1CC[C@H]1CNc1nccn2c[nH+]cc12 ZINC000895768380 583724435 /nfs/dbraw/zinc/72/44/35/583724435.db2.gz YTJOZXMJYYSMTC-VIFPVBQESA-N 2 2 217.276 0.845 20 0 BCADLP C[NH+]1CCC(C[NH2+][C@H]2CCOC2=O)CC1 ZINC000895807845 583732531 /nfs/dbraw/zinc/73/25/31/583732531.db2.gz DHDZFPGMDKWXQW-JTQLQIEISA-N 2 2 212.293 0.233 20 0 BCADLP C[NH+](C)C1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CC1 ZINC000857978358 588926847 /nfs/dbraw/zinc/92/68/47/588926847.db2.gz MURUTJGLUZXLKC-SECBINFHSA-N 2 2 234.303 0.538 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857984550 588928466 /nfs/dbraw/zinc/92/84/66/588928466.db2.gz JTSHFTNMVNXWBX-VHSXEESVSA-N 2 2 234.303 0.538 20 0 BCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857984550 588928468 /nfs/dbraw/zinc/92/84/68/588928468.db2.gz JTSHFTNMVNXWBX-VHSXEESVSA-N 2 2 234.303 0.538 20 0 BCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857985224 588928871 /nfs/dbraw/zinc/92/88/71/588928871.db2.gz NJIQLXLMFPEBJU-JTQLQIEISA-N 2 2 236.319 0.784 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857985224 588928872 /nfs/dbraw/zinc/92/88/72/588928872.db2.gz NJIQLXLMFPEBJU-JTQLQIEISA-N 2 2 236.319 0.784 20 0 BCADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000896497193 583806698 /nfs/dbraw/zinc/80/66/98/583806698.db2.gz GQGUZADVUFIGNI-SNVBAGLBSA-N 2 2 236.319 0.899 20 0 BCADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000896497193 583806699 /nfs/dbraw/zinc/80/66/99/583806699.db2.gz GQGUZADVUFIGNI-SNVBAGLBSA-N 2 2 236.319 0.899 20 0 BCADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000896497193 583806700 /nfs/dbraw/zinc/80/67/00/583806700.db2.gz GQGUZADVUFIGNI-SNVBAGLBSA-N 2 2 236.319 0.899 20 0 BCADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000896497193 583806701 /nfs/dbraw/zinc/80/67/01/583806701.db2.gz GQGUZADVUFIGNI-SNVBAGLBSA-N 2 2 236.319 0.899 20 0 BCADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCNC(=O)CC2)CC[N@@H+]1C ZINC000896555166 583811777 /nfs/dbraw/zinc/81/17/77/583811777.db2.gz NPMLHYCHJAQQBG-MXWKQRLJSA-N 2 2 225.336 0.337 20 0 BCADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCNC(=O)CC2)CC[N@H+]1C ZINC000896555166 583811779 /nfs/dbraw/zinc/81/17/79/583811779.db2.gz NPMLHYCHJAQQBG-MXWKQRLJSA-N 2 2 225.336 0.337 20 0 BCADLP CC[N@H+](CCC(N)=O)Cc1c[nH+]c(C)n1C ZINC000896706322 583823446 /nfs/dbraw/zinc/82/34/46/583823446.db2.gz BOGXJPJSXMXETF-UHFFFAOYSA-N 2 2 224.308 0.426 20 0 BCADLP CC[N@@H+](CCC(N)=O)Cc1c[nH+]c(C)n1C ZINC000896706322 583823448 /nfs/dbraw/zinc/82/34/48/583823448.db2.gz BOGXJPJSXMXETF-UHFFFAOYSA-N 2 2 224.308 0.426 20 0 BCADLP Cc1[nH]c(CNC(=O)[C@@H](C)[NH+](C)C)[nH+]c1C ZINC000896906380 583851245 /nfs/dbraw/zinc/85/12/45/583851245.db2.gz AXKAVCCQIFAQKD-SECBINFHSA-N 2 2 224.308 0.593 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCOC[C@H]1O ZINC000872141011 583948027 /nfs/dbraw/zinc/94/80/27/583948027.db2.gz HZIUHZWKUSWMGO-WKSBVSIWSA-N 2 2 240.347 0.209 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCOC[C@H]1O ZINC000872141011 583948029 /nfs/dbraw/zinc/94/80/29/583948029.db2.gz HZIUHZWKUSWMGO-WKSBVSIWSA-N 2 2 240.347 0.209 20 0 BCADLP c1[nH]c(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c[nH+]1 ZINC000897813878 584046903 /nfs/dbraw/zinc/04/69/03/584046903.db2.gz MTPIWHFCLUWPMU-XXFSISAASA-N 2 2 205.261 0.675 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC[C@H](O)C1CC1 ZINC000898202987 584090661 /nfs/dbraw/zinc/09/06/61/584090661.db2.gz PCPXRNXLAPJXAY-JLLWLGSASA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC[C@H](O)C1CC1 ZINC000898202987 584090664 /nfs/dbraw/zinc/09/06/64/584090664.db2.gz PCPXRNXLAPJXAY-JLLWLGSASA-N 2 2 212.337 0.687 20 0 BCADLP C[C@H]1CC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000858468851 588957946 /nfs/dbraw/zinc/95/79/46/588957946.db2.gz MKKHICVXGWUENH-SRVKXCTJSA-N 2 2 239.363 0.714 20 0 BCADLP C[C@H]1CC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000858468851 588957947 /nfs/dbraw/zinc/95/79/47/588957947.db2.gz MKKHICVXGWUENH-SRVKXCTJSA-N 2 2 239.363 0.714 20 0 BCADLP C[C@H](C[C@H]1CCOC1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000858598073 588970206 /nfs/dbraw/zinc/97/02/06/588970206.db2.gz BMMFJBGOTMOIPP-UPJWGTAASA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H](C[C@H]1CCOC1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000858598073 588970208 /nfs/dbraw/zinc/97/02/08/588970208.db2.gz BMMFJBGOTMOIPP-UPJWGTAASA-N 2 2 242.363 0.458 20 0 BCADLP CC[N@H+]1CC[C@H](CNC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900306058 584293039 /nfs/dbraw/zinc/29/30/39/584293039.db2.gz OMEZPDHZLVAZHL-SNVBAGLBSA-N 2 2 236.319 0.410 20 0 BCADLP CC[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900306058 584293034 /nfs/dbraw/zinc/29/30/34/584293034.db2.gz OMEZPDHZLVAZHL-SNVBAGLBSA-N 2 2 236.319 0.410 20 0 BCADLP CC[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900306058 584293036 /nfs/dbraw/zinc/29/30/36/584293036.db2.gz OMEZPDHZLVAZHL-SNVBAGLBSA-N 2 2 236.319 0.410 20 0 BCADLP CC[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900306058 584293038 /nfs/dbraw/zinc/29/30/38/584293038.db2.gz OMEZPDHZLVAZHL-SNVBAGLBSA-N 2 2 236.319 0.410 20 0 BCADLP C[N@@H+]1CC[C@H](CNC(=O)CNc2cccc[nH+]2)C1 ZINC000900305568 584293090 /nfs/dbraw/zinc/29/30/90/584293090.db2.gz JXDXUFPFYVVPHS-LLVKDONJSA-N 2 2 248.330 0.561 20 0 BCADLP C[N@H+]1CC[C@H](CNC(=O)CNc2cccc[nH+]2)C1 ZINC000900305568 584293091 /nfs/dbraw/zinc/29/30/91/584293091.db2.gz JXDXUFPFYVVPHS-LLVKDONJSA-N 2 2 248.330 0.561 20 0 BCADLP O=C(Cc1c[nH+]c[nH]1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000900371974 584298074 /nfs/dbraw/zinc/29/80/74/584298074.db2.gz MDQWDXYVFVBHNM-SECBINFHSA-N 2 2 234.303 0.305 20 0 BCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000900371974 584298076 /nfs/dbraw/zinc/29/80/76/584298076.db2.gz MDQWDXYVFVBHNM-SECBINFHSA-N 2 2 234.303 0.305 20 0 BCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000900371974 584298078 /nfs/dbraw/zinc/29/80/78/584298078.db2.gz MDQWDXYVFVBHNM-SECBINFHSA-N 2 2 234.303 0.305 20 0 BCADLP CC[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900631665 584334238 /nfs/dbraw/zinc/33/42/38/584334238.db2.gz BWWHVPNCTOQBJA-UHFFFAOYSA-N 2 2 236.319 0.506 20 0 BCADLP CC[N@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900631665 584334239 /nfs/dbraw/zinc/33/42/39/584334239.db2.gz BWWHVPNCTOQBJA-UHFFFAOYSA-N 2 2 236.319 0.506 20 0 BCADLP C[N@@H+]1CCC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900631260 584334282 /nfs/dbraw/zinc/33/42/82/584334282.db2.gz ZFCSWSCVKCMYSH-JTQLQIEISA-N 2 2 236.319 0.410 20 0 BCADLP C[N@H+]1CCC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900631260 584334283 /nfs/dbraw/zinc/33/42/83/584334283.db2.gz ZFCSWSCVKCMYSH-JTQLQIEISA-N 2 2 236.319 0.410 20 0 BCADLP C[N@@H+]1CCC[C@@H](CNC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900631260 584334284 /nfs/dbraw/zinc/33/42/84/584334284.db2.gz ZFCSWSCVKCMYSH-JTQLQIEISA-N 2 2 236.319 0.410 20 0 BCADLP C[N@H+]1CCC[C@@H](CNC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900631260 584334285 /nfs/dbraw/zinc/33/42/85/584334285.db2.gz ZFCSWSCVKCMYSH-JTQLQIEISA-N 2 2 236.319 0.410 20 0 BCADLP CC(C)[N@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900697474 584339508 /nfs/dbraw/zinc/33/95/08/584339508.db2.gz CGRMUGMQKPREII-UHFFFAOYSA-N 2 2 224.308 0.409 20 0 BCADLP CC(C)[N@@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900697474 584339511 /nfs/dbraw/zinc/33/95/11/584339511.db2.gz CGRMUGMQKPREII-UHFFFAOYSA-N 2 2 224.308 0.409 20 0 BCADLP CC(C)[N@H+](C)CCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900697474 584339514 /nfs/dbraw/zinc/33/95/14/584339514.db2.gz CGRMUGMQKPREII-UHFFFAOYSA-N 2 2 224.308 0.409 20 0 BCADLP CC(C)[N@@H+](C)CCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900697474 584339515 /nfs/dbraw/zinc/33/95/15/584339515.db2.gz CGRMUGMQKPREII-UHFFFAOYSA-N 2 2 224.308 0.409 20 0 BCADLP CC1(C)CN(C(=O)CNc2cccc[nH+]2)CC[NH2+]1 ZINC000900938270 584367536 /nfs/dbraw/zinc/36/75/36/584367536.db2.gz RNUNLYAJNBGFBR-UHFFFAOYSA-N 2 2 248.330 0.704 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902187914 584533716 /nfs/dbraw/zinc/53/37/16/584533716.db2.gz HFYRWLJMXMGVPI-RYUDHWBXSA-N 2 2 248.330 0.641 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902187914 584533718 /nfs/dbraw/zinc/53/37/18/584533718.db2.gz HFYRWLJMXMGVPI-RYUDHWBXSA-N 2 2 248.330 0.641 20 0 BCADLP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000902407823 584574644 /nfs/dbraw/zinc/57/46/44/584574644.db2.gz VMSQUTPSMOZBRS-QJPTWQEYSA-N 3 2 223.364 0.988 20 0 BCADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902407827 584575123 /nfs/dbraw/zinc/57/51/23/584575123.db2.gz VMUYPWTWQCYOCS-VIFPVBQESA-N 3 2 234.347 0.991 20 0 BCADLP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2([NH3+])CC2)C1 ZINC000902410192 584575635 /nfs/dbraw/zinc/57/56/35/584575635.db2.gz PXPULTFDPXYSLB-NXEZZACHSA-N 3 2 211.353 0.973 20 0 BCADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCO2)C1 ZINC000902394293 584583451 /nfs/dbraw/zinc/58/34/51/584583451.db2.gz UPPZYNJZCZDJJC-NEPJUHHUSA-N 3 2 241.379 0.343 20 0 BCADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1c[nH+]ccc1N ZINC000902403750 584588261 /nfs/dbraw/zinc/58/82/61/584588261.db2.gz AWSCMAAPMUKLAQ-QMMMGPOBSA-N 3 2 206.293 0.636 20 0 BCADLP Cc1nn(C)cc1[C@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902416963 584590892 /nfs/dbraw/zinc/59/08/92/584590892.db2.gz QHKXDWLDPRNDIX-QMMMGPOBSA-N 2 2 208.309 0.870 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCON ZINC000902418812 584591856 /nfs/dbraw/zinc/59/18/56/584591856.db2.gz NMGJFYQZFUIEEL-KOLCDFICSA-N 2 2 213.325 0.339 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCON ZINC000902418812 584591857 /nfs/dbraw/zinc/59/18/57/584591857.db2.gz NMGJFYQZFUIEEL-KOLCDFICSA-N 2 2 213.325 0.339 20 0 BCADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902446127 584592449 /nfs/dbraw/zinc/59/24/49/584592449.db2.gz SAFILNXOPGDNNW-WOPDTQHZSA-N 3 2 225.380 0.962 20 0 BCADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902446121 584592548 /nfs/dbraw/zinc/59/25/48/584592548.db2.gz SAFILNXOPGDNNW-GRYCIOLGSA-N 3 2 225.380 0.962 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902442025 584597642 /nfs/dbraw/zinc/59/76/42/584597642.db2.gz GZTOWPOAVWEDPE-RLCGTCKNSA-N 2 2 233.315 0.465 20 0 BCADLP CC1(C)C[NH2+]C[C@@H]1N[C@H]1CCn2cc[nH+]c21 ZINC000902440884 584597738 /nfs/dbraw/zinc/59/77/38/584597738.db2.gz AYGUGRCBKMRDGT-UWVGGRQHSA-N 2 2 220.320 0.916 20 0 BCADLP CCOC[C@@H](C)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902448374 584605782 /nfs/dbraw/zinc/60/57/82/584605782.db2.gz DPDKZXAXOHYUAX-ZJUUUORDSA-N 2 2 200.326 0.999 20 0 BCADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461732 584611209 /nfs/dbraw/zinc/61/12/09/584611209.db2.gz QJSIYTCAYOTOKK-NZEXEKPDSA-N 3 2 223.364 0.857 20 0 BCADLP Cn1cnc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000902460594 584611382 /nfs/dbraw/zinc/61/13/82/584611382.db2.gz HKEYFHUQNKCIDD-ZACCUICWSA-N 2 2 220.320 0.793 20 0 BCADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461731 584611732 /nfs/dbraw/zinc/61/17/32/584611732.db2.gz QJSIYTCAYOTOKK-KSSYENDESA-N 3 2 223.364 0.857 20 0 BCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cn(C)cn1 ZINC000902462972 584612146 /nfs/dbraw/zinc/61/21/46/584612146.db2.gz YGVFKBIAHPWDJW-WDEREUQCSA-N 2 2 238.335 0.277 20 0 BCADLP C[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1[nH]cc[nH+]1 ZINC000902463205 584612570 /nfs/dbraw/zinc/61/25/70/584612570.db2.gz ZTMZZJONQCLQGJ-AXTSPUMRSA-N 2 2 206.293 0.953 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C[N@@H+]1C1CC1 ZINC000902490016 584617124 /nfs/dbraw/zinc/61/71/24/584617124.db2.gz QWQYADWYDALIPX-DDHJBXDOSA-N 3 2 223.364 0.939 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C[N@H+]1C1CC1 ZINC000902490016 584617125 /nfs/dbraw/zinc/61/71/25/584617125.db2.gz QWQYADWYDALIPX-DDHJBXDOSA-N 3 2 223.364 0.939 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902491353 584617929 /nfs/dbraw/zinc/61/79/29/584617929.db2.gz VTIJMDWJJGRTFW-UZWSLXQKSA-N 3 2 223.364 0.796 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902491353 584617931 /nfs/dbraw/zinc/61/79/31/584617931.db2.gz VTIJMDWJJGRTFW-UZWSLXQKSA-N 3 2 223.364 0.796 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000902522790 584632173 /nfs/dbraw/zinc/63/21/73/584632173.db2.gz YEQHYAZGRDJZAD-FOUMNBMASA-N 2 2 224.348 0.999 20 0 BCADLP CCn1cnc(C[NH2+]CCc2c[nH+]cn2C)c1 ZINC000902621347 584644761 /nfs/dbraw/zinc/64/47/61/584644761.db2.gz GESMTFVYTADBPL-UHFFFAOYSA-N 2 2 233.319 0.969 20 0 BCADLP C[NH+](C)CC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902989720 584709522 /nfs/dbraw/zinc/70/95/22/584709522.db2.gz LWYDAMXTEDFJEN-JZRPKSSGSA-N 2 2 224.348 0.951 20 0 BCADLP c1cn(CC[NH2+][C@H]2CCO[C@@]23CCOC3)c[nH+]1 ZINC000903057645 584722255 /nfs/dbraw/zinc/72/22/55/584722255.db2.gz JXGFQNVJZKJXBT-NWDGAFQWSA-N 2 2 237.303 0.421 20 0 BCADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903210405 584736821 /nfs/dbraw/zinc/73/68/21/584736821.db2.gz XLZGXVILDJAWRZ-RWMBFGLXSA-N 2 2 240.347 0.618 20 0 BCADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903210405 584736822 /nfs/dbraw/zinc/73/68/22/584736822.db2.gz XLZGXVILDJAWRZ-RWMBFGLXSA-N 2 2 240.347 0.618 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000903217420 584737298 /nfs/dbraw/zinc/73/72/98/584737298.db2.gz ALUCVVSMFCIHKX-IJLUTSLNSA-N 2 2 239.363 0.395 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000903217420 584737300 /nfs/dbraw/zinc/73/73/00/584737300.db2.gz ALUCVVSMFCIHKX-IJLUTSLNSA-N 2 2 239.363 0.395 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000903300662 584743714 /nfs/dbraw/zinc/74/37/14/584743714.db2.gz KNLKLGBZOUAQPU-MXWKQRLJSA-N 2 2 223.324 0.349 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000903300662 584743715 /nfs/dbraw/zinc/74/37/15/584743715.db2.gz KNLKLGBZOUAQPU-MXWKQRLJSA-N 2 2 223.324 0.349 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1CCN1C ZINC000903324976 584747317 /nfs/dbraw/zinc/74/73/17/584747317.db2.gz WNPKMCVCUFUGDF-KGYLQXTDSA-N 2 2 223.364 0.763 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1CCN1C ZINC000903324976 584747318 /nfs/dbraw/zinc/74/73/18/584747318.db2.gz WNPKMCVCUFUGDF-KGYLQXTDSA-N 2 2 223.364 0.763 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H]2CCN(OC)C2=O)C1 ZINC000903421290 584763582 /nfs/dbraw/zinc/76/35/82/584763582.db2.gz KHWXPXBTNZLGIA-QWRGUYRKSA-N 2 2 241.335 0.080 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H]2CCN(OC)C2=O)C1 ZINC000903421290 584763584 /nfs/dbraw/zinc/76/35/84/584763584.db2.gz KHWXPXBTNZLGIA-QWRGUYRKSA-N 2 2 241.335 0.080 20 0 BCADLP C[NH2+]C1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903423078 584764249 /nfs/dbraw/zinc/76/42/49/584764249.db2.gz PENMUTZMKRVSFW-MNOVXSKESA-N 3 2 211.353 0.526 20 0 BCADLP c1cn([C@@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]3)C2)nn1 ZINC000903460041 584766830 /nfs/dbraw/zinc/76/68/30/584766830.db2.gz VEONNPBIRWOGEZ-VXGBXAGGSA-N 2 2 235.335 0.667 20 0 BCADLP c1cn([C@@H]2CCC[N@H+](C[C@H]3CCC[NH2+]3)C2)nn1 ZINC000903460041 584766832 /nfs/dbraw/zinc/76/68/32/584766832.db2.gz VEONNPBIRWOGEZ-VXGBXAGGSA-N 2 2 235.335 0.667 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000903464134 584767227 /nfs/dbraw/zinc/76/72/27/584767227.db2.gz AWLSJNFTNBENKY-XQHKEYJVSA-N 3 2 223.364 0.655 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000903464134 584767228 /nfs/dbraw/zinc/76/72/28/584767228.db2.gz AWLSJNFTNBENKY-XQHKEYJVSA-N 3 2 223.364 0.655 20 0 BCADLP C(C[N@H+](C1CC1)[C@H]1CC[NH2+]C1)OC1CC1 ZINC000903445579 584770064 /nfs/dbraw/zinc/77/00/64/584770064.db2.gz LZQQUQFMDKHTTN-NSHDSACASA-N 2 2 210.321 0.992 20 0 BCADLP C(C[N@@H+](C1CC1)[C@H]1CC[NH2+]C1)OC1CC1 ZINC000903445579 584770065 /nfs/dbraw/zinc/77/00/65/584770065.db2.gz LZQQUQFMDKHTTN-NSHDSACASA-N 2 2 210.321 0.992 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(C)([NH3+])CC1 ZINC000903449395 584771167 /nfs/dbraw/zinc/77/11/67/584771167.db2.gz AAFFGTTUFCUTJC-MNOVXSKESA-N 3 2 211.353 0.655 20 0 BCADLP CON1CC[C@H]([NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)C1=O ZINC000903455296 584774306 /nfs/dbraw/zinc/77/43/06/584774306.db2.gz SLQMSCGGOAVXAX-XWLWVQCSSA-N 2 2 241.335 0.125 20 0 BCADLP CCCNC(=O)[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903467885 584774991 /nfs/dbraw/zinc/77/49/91/584774991.db2.gz FKMIIHLDUKLNBR-WDEREUQCSA-N 2 2 239.363 0.775 20 0 BCADLP C[C@H](c1ncccn1)[N@H+](C)CCOCC[NH3+] ZINC000903474750 584776709 /nfs/dbraw/zinc/77/67/09/584776709.db2.gz SESPVOWPOHRLNN-SNVBAGLBSA-N 2 2 224.308 0.445 20 0 BCADLP C[C@H](c1ncccn1)[N@@H+](C)CCOCC[NH3+] ZINC000903474750 584776710 /nfs/dbraw/zinc/77/67/10/584776710.db2.gz SESPVOWPOHRLNN-SNVBAGLBSA-N 2 2 224.308 0.445 20 0 BCADLP CN(C)C(=O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903484017 584779365 /nfs/dbraw/zinc/77/93/65/584779365.db2.gz NRARXPACNTWNRN-SNVBAGLBSA-N 2 2 225.336 0.339 20 0 BCADLP CCCNC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903485169 584779429 /nfs/dbraw/zinc/77/94/29/584779429.db2.gz KEXFTPPLNMGWPR-LLVKDONJSA-N 2 2 239.363 0.777 20 0 BCADLP CS(=O)(=O)CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903484178 584779554 /nfs/dbraw/zinc/77/95/54/584779554.db2.gz OZOWFZHSQGQOFI-JTQLQIEISA-N 2 2 246.376 0.295 20 0 BCADLP CC(C)NC(=O)[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903464716 584779683 /nfs/dbraw/zinc/77/96/83/584779683.db2.gz AMURVBFGYWDSBK-QWRGUYRKSA-N 2 2 239.363 0.774 20 0 BCADLP CC(C)NC(=O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903486339 584780080 /nfs/dbraw/zinc/78/00/80/584780080.db2.gz UTERWVJIGXQKCM-NSHDSACASA-N 2 2 239.363 0.775 20 0 BCADLP O=C(C[NH2+][C@@H]1CC[NH2+]C12CCC2)NC1CC1 ZINC000903466171 584780355 /nfs/dbraw/zinc/78/03/55/584780355.db2.gz QQAMGMLVZGJIBC-SNVBAGLBSA-N 2 2 223.320 0.139 20 0 BCADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000903527404 584781861 /nfs/dbraw/zinc/78/18/61/584781861.db2.gz YIPYQFRIKBJODO-NWDGAFQWSA-N 2 2 249.362 0.839 20 0 BCADLP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@H]1CCc2ncnn21 ZINC000903527404 584781862 /nfs/dbraw/zinc/78/18/62/584781862.db2.gz YIPYQFRIKBJODO-NWDGAFQWSA-N 2 2 249.362 0.839 20 0 BCADLP CC1(C)CN(Cc2cc[nH+]c(N)c2)C[C@@H]1[NH3+] ZINC000903557282 584782734 /nfs/dbraw/zinc/78/27/34/584782734.db2.gz MRMAOCMDUUAKDN-JTQLQIEISA-N 2 2 220.320 0.833 20 0 BCADLP CC1(C)C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1[NH3+] ZINC000903557320 584782912 /nfs/dbraw/zinc/78/29/12/584782912.db2.gz NORLXDQPGZVJNM-QWRGUYRKSA-N 3 2 239.363 0.177 20 0 BCADLP CN1CCC[C@@H]([N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)C1=O ZINC000903557831 584783041 /nfs/dbraw/zinc/78/30/41/584783041.db2.gz RYNJQPIQIJIPBX-NXEZZACHSA-N 2 2 225.336 0.276 20 0 BCADLP CN1CCC[C@@H]([N@H+]2C[C@@H]([NH3+])C(C)(C)C2)C1=O ZINC000903557831 584783042 /nfs/dbraw/zinc/78/30/42/584783042.db2.gz RYNJQPIQIJIPBX-NXEZZACHSA-N 2 2 225.336 0.276 20 0 BCADLP CCOC(=O)CC[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000903557476 584783057 /nfs/dbraw/zinc/78/30/57/584783057.db2.gz OHSDBBALVABBEC-VIFPVBQESA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)CC[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000903557476 584783058 /nfs/dbraw/zinc/78/30/58/584783058.db2.gz OHSDBBALVABBEC-VIFPVBQESA-N 2 2 214.309 0.609 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717040 584792216 /nfs/dbraw/zinc/79/22/16/584792216.db2.gz XSFJRORIOWECCT-IJLUTSLNSA-N 3 2 227.352 0.034 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717040 584792217 /nfs/dbraw/zinc/79/22/17/584792217.db2.gz XSFJRORIOWECCT-IJLUTSLNSA-N 3 2 227.352 0.034 20 0 BCADLP Cn1ccc(C[NH2+][C@@](C)(C[NH3+])C2CC2)n1 ZINC000903717195 584792350 /nfs/dbraw/zinc/79/23/50/584792350.db2.gz JLJUPXQGQFIDNA-NSHDSACASA-N 2 2 208.309 0.637 20 0 BCADLP [NH3+][C@@H]1CCC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903713234 584793533 /nfs/dbraw/zinc/79/35/33/584793533.db2.gz JDJRVSMBLBLIFC-FRRDWIJNSA-N 3 2 239.363 0.178 20 0 BCADLP [NH3+][C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903713234 584793535 /nfs/dbraw/zinc/79/35/35/584793535.db2.gz JDJRVSMBLBLIFC-FRRDWIJNSA-N 3 2 239.363 0.178 20 0 BCADLP [NH3+][C@@H]1CCC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903713236 584793785 /nfs/dbraw/zinc/79/37/85/584793785.db2.gz JDJRVSMBLBLIFC-UPJWGTAASA-N 3 2 239.363 0.178 20 0 BCADLP [NH3+][C@@H]1CCC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903713236 584793786 /nfs/dbraw/zinc/79/37/86/584793786.db2.gz JDJRVSMBLBLIFC-UPJWGTAASA-N 3 2 239.363 0.178 20 0 BCADLP C[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H]1CC[NH2+]C1 ZINC000903715890 584794007 /nfs/dbraw/zinc/79/40/07/584794007.db2.gz BFFZDPONFUJSGD-RWMBFGLXSA-N 3 2 239.363 0.049 20 0 BCADLP C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H]1CC[NH2+]C1 ZINC000903715890 584794008 /nfs/dbraw/zinc/79/40/08/584794008.db2.gz BFFZDPONFUJSGD-RWMBFGLXSA-N 3 2 239.363 0.049 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H]([NH2+]C)C1 ZINC000903716200 584794356 /nfs/dbraw/zinc/79/43/56/584794356.db2.gz JBZQFTMDLIXQOU-SDDRHHMPSA-N 2 2 240.347 0.869 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]([NH2+]C)C1 ZINC000903716200 584794358 /nfs/dbraw/zinc/79/43/58/584794358.db2.gz JBZQFTMDLIXQOU-SDDRHHMPSA-N 2 2 240.347 0.869 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000903753579 584795961 /nfs/dbraw/zinc/79/59/61/584795961.db2.gz WLTDMPSFESEKMR-KZZRWZIVSA-N 2 2 226.320 0.212 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000903753579 584795962 /nfs/dbraw/zinc/79/59/62/584795962.db2.gz WLTDMPSFESEKMR-KZZRWZIVSA-N 2 2 226.320 0.212 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000903753580 584796254 /nfs/dbraw/zinc/79/62/54/584796254.db2.gz WLTDMPSFESEKMR-OSUNSFLBSA-N 2 2 226.320 0.212 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000903753580 584796255 /nfs/dbraw/zinc/79/62/55/584796255.db2.gz WLTDMPSFESEKMR-OSUNSFLBSA-N 2 2 226.320 0.212 20 0 BCADLP [NH3+]CC12CC(C1)C[N@@H+]2C[C@@H]1CCCC[NH2+]C1 ZINC000903765904 584797085 /nfs/dbraw/zinc/79/70/85/584797085.db2.gz MIIBOCJPBMYFSE-PNESKVBLSA-N 3 2 223.364 0.799 20 0 BCADLP [NH3+]CC12CC(C1)C[N@H+]2C[C@@H]1CCCC[NH2+]C1 ZINC000903765904 584797086 /nfs/dbraw/zinc/79/70/86/584797086.db2.gz MIIBOCJPBMYFSE-PNESKVBLSA-N 3 2 223.364 0.799 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)CCCO1 ZINC000903760994 584797130 /nfs/dbraw/zinc/79/71/30/584797130.db2.gz MLLOBPMXQFHPEZ-OLZOCXBDSA-N 3 2 241.379 0.426 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)CCCO1 ZINC000903760994 584797131 /nfs/dbraw/zinc/79/71/31/584797131.db2.gz MLLOBPMXQFHPEZ-OLZOCXBDSA-N 3 2 241.379 0.426 20 0 BCADLP COCC(COC)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000903761515 584797449 /nfs/dbraw/zinc/79/74/49/584797449.db2.gz VHOGIUYMZFIZIM-GFCCVEGCSA-N 2 2 228.336 0.476 20 0 BCADLP COCC(COC)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000903761515 584797450 /nfs/dbraw/zinc/79/74/50/584797450.db2.gz VHOGIUYMZFIZIM-GFCCVEGCSA-N 2 2 228.336 0.476 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903779159 584799758 /nfs/dbraw/zinc/79/97/58/584799758.db2.gz UYYVCSNXMKEMNZ-IJLUTSLNSA-N 3 2 211.353 0.798 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903779159 584799759 /nfs/dbraw/zinc/79/97/59/584799759.db2.gz UYYVCSNXMKEMNZ-IJLUTSLNSA-N 3 2 211.353 0.798 20 0 BCADLP C[C@H]1CSCCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000903830036 584805485 /nfs/dbraw/zinc/80/54/85/584805485.db2.gz RCXUZQQVBCJVKG-WDEREUQCSA-N 2 2 230.377 0.802 20 0 BCADLP C[C@H]1CSCCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000903830036 584805486 /nfs/dbraw/zinc/80/54/86/584805486.db2.gz RCXUZQQVBCJVKG-WDEREUQCSA-N 2 2 230.377 0.802 20 0 BCADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccon1)C2 ZINC000903843281 584807552 /nfs/dbraw/zinc/80/75/52/584807552.db2.gz HJYJYNPNQFGJHV-NGZCFLSTSA-N 2 2 207.277 0.986 20 0 BCADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccon1)C2 ZINC000903843281 584807554 /nfs/dbraw/zinc/80/75/54/584807554.db2.gz HJYJYNPNQFGJHV-NGZCFLSTSA-N 2 2 207.277 0.986 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903856069 584808774 /nfs/dbraw/zinc/80/87/74/584808774.db2.gz QFMFCMBBMSARMP-CMPLNLGQSA-N 2 2 225.336 0.324 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903856069 584808775 /nfs/dbraw/zinc/80/87/75/584808775.db2.gz QFMFCMBBMSARMP-CMPLNLGQSA-N 2 2 225.336 0.324 20 0 BCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCn1cncn1 ZINC000903855073 584808947 /nfs/dbraw/zinc/80/89/47/584808947.db2.gz LCCDLFOLJVPMLJ-GHMZBOCLSA-N 2 2 221.308 0.091 20 0 BCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCn1cncn1 ZINC000903855073 584808948 /nfs/dbraw/zinc/80/89/48/584808948.db2.gz LCCDLFOLJVPMLJ-GHMZBOCLSA-N 2 2 221.308 0.091 20 0 BCADLP COCCOCC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903858437 584810637 /nfs/dbraw/zinc/81/06/37/584810637.db2.gz YLVREWWHWZPYIT-NEPJUHHUSA-N 2 2 228.336 0.463 20 0 BCADLP COCCOCC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903858437 584810639 /nfs/dbraw/zinc/81/06/39/584810639.db2.gz YLVREWWHWZPYIT-NEPJUHHUSA-N 2 2 228.336 0.463 20 0 BCADLP Cn1nccc1C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903861139 584812074 /nfs/dbraw/zinc/81/20/74/584812074.db2.gz VMTTYECVFYDOHF-JQWIXIFHSA-N 2 2 220.320 0.733 20 0 BCADLP Cn1nccc1C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903861139 584812075 /nfs/dbraw/zinc/81/20/75/584812075.db2.gz VMTTYECVFYDOHF-JQWIXIFHSA-N 2 2 220.320 0.733 20 0 BCADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCO[C@@H]1CCOC1 ZINC000903863168 584813019 /nfs/dbraw/zinc/81/30/19/584813019.db2.gz JQNVPCPSLAZROY-YNEHKIRRSA-N 2 2 240.347 0.605 20 0 BCADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCO[C@@H]1CCOC1 ZINC000903863168 584813020 /nfs/dbraw/zinc/81/30/20/584813020.db2.gz JQNVPCPSLAZROY-YNEHKIRRSA-N 2 2 240.347 0.605 20 0 BCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCO[C@H]1CCOC1 ZINC000903863165 584813228 /nfs/dbraw/zinc/81/32/28/584813228.db2.gz JQNVPCPSLAZROY-FRRDWIJNSA-N 2 2 240.347 0.605 20 0 BCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCO[C@H]1CCOC1 ZINC000903863165 584813230 /nfs/dbraw/zinc/81/32/30/584813230.db2.gz JQNVPCPSLAZROY-FRRDWIJNSA-N 2 2 240.347 0.605 20 0 BCADLP NC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000903888607 584813535 /nfs/dbraw/zinc/81/35/35/584813535.db2.gz HCXXBTRBFNHQNH-BDAKNGLRSA-N 2 2 249.305 0.699 20 0 BCADLP NC(=O)C[C@@H]1CCCC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000903888607 584813537 /nfs/dbraw/zinc/81/35/37/584813537.db2.gz HCXXBTRBFNHQNH-BDAKNGLRSA-N 2 2 249.305 0.699 20 0 BCADLP C(C[N@@H+]1CCC[C@@]12CC[NH2+]C2)O[C@H]1CCOC1 ZINC000903869127 584813668 /nfs/dbraw/zinc/81/36/68/584813668.db2.gz BOZVWYAAOHJFEH-STQMWFEESA-N 2 2 240.347 0.620 20 0 BCADLP C(C[N@H+]1CCC[C@@]12CC[NH2+]C2)O[C@H]1CCOC1 ZINC000903869127 584813669 /nfs/dbraw/zinc/81/36/69/584813669.db2.gz BOZVWYAAOHJFEH-STQMWFEESA-N 2 2 240.347 0.620 20 0 BCADLP c1nc2n(n1)[C@H](C[N@@H+]1CCC[C@@]13CC[NH2+]C3)CC2 ZINC000903869120 584813686 /nfs/dbraw/zinc/81/36/86/584813686.db2.gz BOYAQDTYENWQPO-AAEUAGOBSA-N 2 2 247.346 0.593 20 0 BCADLP c1nc2n(n1)[C@H](C[N@H+]1CCC[C@@]13CC[NH2+]C3)CC2 ZINC000903869120 584813687 /nfs/dbraw/zinc/81/36/87/584813687.db2.gz BOYAQDTYENWQPO-AAEUAGOBSA-N 2 2 247.346 0.593 20 0 BCADLP C[N@H+](CCN1CCCC1=O)C[C@@H]([NH3+])CC(F)F ZINC000903891750 584814082 /nfs/dbraw/zinc/81/40/82/584814082.db2.gz CIALAMFCVAHKQK-VIFPVBQESA-N 2 2 249.305 0.523 20 0 BCADLP C[N@@H+](CCN1CCCC1=O)C[C@@H]([NH3+])CC(F)F ZINC000903891750 584814083 /nfs/dbraw/zinc/81/40/83/584814083.db2.gz CIALAMFCVAHKQK-VIFPVBQESA-N 2 2 249.305 0.523 20 0 BCADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@H]1CO ZINC000903885985 584819259 /nfs/dbraw/zinc/81/92/59/584819259.db2.gz NAYYNWJEQGQNOY-SFYZADRCSA-N 2 2 208.252 0.426 20 0 BCADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@H]1CO ZINC000903885985 584819260 /nfs/dbraw/zinc/81/92/60/584819260.db2.gz NAYYNWJEQGQNOY-SFYZADRCSA-N 2 2 208.252 0.426 20 0 BCADLP NC(=O)C[N@H+](C[C@@H]([NH3+])CC(F)F)C1CCCC1 ZINC000903879433 584816989 /nfs/dbraw/zinc/81/69/89/584816989.db2.gz AYYFRGNDEVYQIO-QMMMGPOBSA-N 2 2 249.305 0.699 20 0 BCADLP NC(=O)C[N@@H+](C[C@@H]([NH3+])CC(F)F)C1CCCC1 ZINC000903879433 584816991 /nfs/dbraw/zinc/81/69/91/584816991.db2.gz AYYFRGNDEVYQIO-QMMMGPOBSA-N 2 2 249.305 0.699 20 0 BCADLP [NH3+][C@H](CC(F)F)C[NH+]1CCC(CO)CC1 ZINC000903880385 584817446 /nfs/dbraw/zinc/81/74/46/584817446.db2.gz RAKKGXBTRPEQAR-SECBINFHSA-N 2 2 222.279 0.673 20 0 BCADLP C[C@@]1(C2CC2)COCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000903881150 584817814 /nfs/dbraw/zinc/81/78/14/584817814.db2.gz FKSHSFIVBGZAKR-STQMWFEESA-N 2 2 240.347 0.476 20 0 BCADLP C[C@@]1(C2CC2)COCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000903881150 584817815 /nfs/dbraw/zinc/81/78/15/584817815.db2.gz FKSHSFIVBGZAKR-STQMWFEESA-N 2 2 240.347 0.476 20 0 BCADLP C[N@@H+](Cc1nnc[nH]1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903895590 584819836 /nfs/dbraw/zinc/81/98/36/584819836.db2.gz OPPCMRLBVNBIIB-FGWVZKOKSA-N 2 2 235.335 0.767 20 0 BCADLP C[N@H+](Cc1nnc[nH]1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903895590 584819838 /nfs/dbraw/zinc/81/98/38/584819838.db2.gz OPPCMRLBVNBIIB-FGWVZKOKSA-N 2 2 235.335 0.767 20 0 BCADLP C[C@@H]1C[N@H+](C[C@H]([NH3+])CC(F)F)CC[C@@H]1O ZINC000903908328 584821625 /nfs/dbraw/zinc/82/16/25/584821625.db2.gz GXMHCSQNDXBSKO-HLTSFMKQSA-N 2 2 222.279 0.672 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@H]([NH3+])CC(F)F)CC[C@@H]1O ZINC000903908328 584821626 /nfs/dbraw/zinc/82/16/26/584821626.db2.gz GXMHCSQNDXBSKO-HLTSFMKQSA-N 2 2 222.279 0.672 20 0 BCADLP CC[N@H+](C[C@H]([NH3+])CC(F)F)[C@@H]1CCNC1=O ZINC000903915311 584822462 /nfs/dbraw/zinc/82/24/62/584822462.db2.gz AMQMYFXMJQDOFX-HTQZYQBOSA-N 2 2 235.278 0.179 20 0 BCADLP CC[N@@H+](C[C@H]([NH3+])CC(F)F)[C@@H]1CCNC1=O ZINC000903915311 584822463 /nfs/dbraw/zinc/82/24/63/584822463.db2.gz AMQMYFXMJQDOFX-HTQZYQBOSA-N 2 2 235.278 0.179 20 0 BCADLP F[C@@H]1C[NH2+][C@H](C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903918589 584822538 /nfs/dbraw/zinc/82/25/38/584822538.db2.gz CGPOTJLODLCXRN-XETPVMHDSA-N 3 2 241.354 0.807 20 0 BCADLP CC[N@H+](CCOCCO)C[C@H]([NH3+])CC(F)F ZINC000903913118 584822785 /nfs/dbraw/zinc/82/27/85/584822785.db2.gz MVBZTXYKAMASGJ-SECBINFHSA-N 2 2 240.294 0.300 20 0 BCADLP CC[N@@H+](CCOCCO)C[C@H]([NH3+])CC(F)F ZINC000903913118 584822786 /nfs/dbraw/zinc/82/27/86/584822786.db2.gz MVBZTXYKAMASGJ-SECBINFHSA-N 2 2 240.294 0.300 20 0 BCADLP CC(C)N1CC[C@H]([NH2+]C[C@@H]([NH3+])CC(F)F)C1=O ZINC000903923339 584823583 /nfs/dbraw/zinc/82/35/83/584823583.db2.gz QYROOFSAXPQFGB-IUCAKERBSA-N 2 2 249.305 0.568 20 0 BCADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@H]1CCO ZINC000903929637 584824307 /nfs/dbraw/zinc/82/43/07/584824307.db2.gz IIOXIJOQCILLRP-BDAKNGLRSA-N 2 2 222.279 0.816 20 0 BCADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@H]1CCO ZINC000903929637 584824308 /nfs/dbraw/zinc/82/43/08/584824308.db2.gz IIOXIJOQCILLRP-BDAKNGLRSA-N 2 2 222.279 0.816 20 0 BCADLP [NH3+][C@H](C[NH2+]CC1([NH3+])CCCC1)CC(F)F ZINC000903932567 584825198 /nfs/dbraw/zinc/82/51/98/584825198.db2.gz DVLGXTZTXWTYKS-QMMMGPOBSA-N 3 2 221.295 0.830 20 0 BCADLP CC(C)C[C@H](C[NH3+])[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903918096 584827170 /nfs/dbraw/zinc/82/71/70/584827170.db2.gz RRUTWNVLBKVINR-RKDXNWHRSA-N 3 2 223.311 0.932 20 0 BCADLP C[C@H]([NH2+]C[C@@H]([NH3+])CC(F)F)[C@@H]1CCC[NH2+]C1 ZINC000903917766 584827206 /nfs/dbraw/zinc/82/72/06/584827206.db2.gz NHCZYZTZXZILJT-AEJSXWLSSA-N 3 2 235.322 0.947 20 0 BCADLP CC(C)C[C@@H](C[NH3+])[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903918093 584827209 /nfs/dbraw/zinc/82/72/09/584827209.db2.gz RRUTWNVLBKVINR-BDAKNGLRSA-N 3 2 223.311 0.932 20 0 BCADLP CCC1([NH3+])CC[NH+](C[C@@]23C[C@@H]2C[NH2+]C3)CC1 ZINC000903948171 584829939 /nfs/dbraw/zinc/82/99/39/584829939.db2.gz MMUJSLWYPSCXKM-NEPJUHHUSA-N 3 2 223.364 0.799 20 0 BCADLP CCC1([NH3+])CC[NH+](Cc2cnc(N)cn2)CC1 ZINC000903949140 584830305 /nfs/dbraw/zinc/83/03/05/584830305.db2.gz YVHVYSJMGQFNGR-UHFFFAOYSA-N 2 2 235.335 0.762 20 0 BCADLP Cn1cc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cn1 ZINC000903953899 584831647 /nfs/dbraw/zinc/83/16/47/584831647.db2.gz NFVSRNJDMTWGTM-JTQLQIEISA-N 2 2 244.289 0.755 20 0 BCADLP C[C@@]1(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)CC[NH2+]C1 ZINC000903956106 584832066 /nfs/dbraw/zinc/83/20/66/584832066.db2.gz GZSHFWDQWBBXHW-GHMZBOCLSA-N 3 2 247.333 0.820 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC000903967687 584835149 /nfs/dbraw/zinc/83/51/49/584835149.db2.gz KQDDOERAGPWLRU-WYUUTHIRSA-N 3 2 211.353 0.430 20 0 BCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(N)nn1 ZINC000904301070 584861174 /nfs/dbraw/zinc/86/11/74/584861174.db2.gz FRZIOJSMUCYKRX-NSHDSACASA-N 2 2 237.351 0.864 20 0 BCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(N)nn1 ZINC000904301070 584861176 /nfs/dbraw/zinc/86/11/76/584861176.db2.gz FRZIOJSMUCYKRX-NSHDSACASA-N 2 2 237.351 0.864 20 0 BCADLP C[N@H+](CC(=O)NC1CC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904304141 584861753 /nfs/dbraw/zinc/86/17/53/584861753.db2.gz SGXSDSQZCOVULB-ZDUSSCGKSA-N 2 2 239.363 0.587 20 0 BCADLP C[N@@H+](CC(=O)NC1CC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904304141 584861755 /nfs/dbraw/zinc/86/17/55/584861755.db2.gz SGXSDSQZCOVULB-ZDUSSCGKSA-N 2 2 239.363 0.587 20 0 BCADLP CC[C@H]1C[N@H+](Cc2ccc(N)nn2)CC[C@@H]1[NH3+] ZINC000904302680 584861843 /nfs/dbraw/zinc/86/18/43/584861843.db2.gz YAYMRAUKDYULGP-ONGXEEELSA-N 2 2 235.335 0.618 20 0 BCADLP CC[C@H]1C[N@@H+](Cc2ccc(N)nn2)CC[C@@H]1[NH3+] ZINC000904302680 584861844 /nfs/dbraw/zinc/86/18/44/584861844.db2.gz YAYMRAUKDYULGP-ONGXEEELSA-N 2 2 235.335 0.618 20 0 BCADLP CC[N@H+](CC(=O)NC)C[C@]1(C)CCC[NH2+]C1 ZINC000904308614 584862811 /nfs/dbraw/zinc/86/28/11/584862811.db2.gz SPNMQJAZNGXGEN-GFCCVEGCSA-N 2 2 227.352 0.444 20 0 BCADLP CC[N@@H+](CC(=O)NC)C[C@]1(C)CCC[NH2+]C1 ZINC000904308614 584862812 /nfs/dbraw/zinc/86/28/12/584862812.db2.gz SPNMQJAZNGXGEN-GFCCVEGCSA-N 2 2 227.352 0.444 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(N)nn2)C1 ZINC000904326393 584865026 /nfs/dbraw/zinc/86/50/26/584865026.db2.gz INZRMQGGMXDRCX-LLVKDONJSA-N 2 2 249.362 0.832 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(N)nn2)C1 ZINC000904326393 584865028 /nfs/dbraw/zinc/86/50/28/584865028.db2.gz INZRMQGGMXDRCX-LLVKDONJSA-N 2 2 249.362 0.832 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(N)nn2)C1 ZINC000904326393 584865030 /nfs/dbraw/zinc/86/50/30/584865030.db2.gz INZRMQGGMXDRCX-LLVKDONJSA-N 2 2 249.362 0.832 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(N)nn2)C1 ZINC000904326393 584865032 /nfs/dbraw/zinc/86/50/32/584865032.db2.gz INZRMQGGMXDRCX-LLVKDONJSA-N 2 2 249.362 0.832 20 0 BCADLP Nc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)nn1 ZINC000904334272 584866813 /nfs/dbraw/zinc/86/68/13/584866813.db2.gz QUXMFSOAHFCIRL-CYBMUJFWSA-N 2 2 247.346 0.634 20 0 BCADLP Nc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)nn1 ZINC000904334272 584866814 /nfs/dbraw/zinc/86/68/14/584866814.db2.gz QUXMFSOAHFCIRL-CYBMUJFWSA-N 2 2 247.346 0.634 20 0 BCADLP C[C@@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)C[C@H](CO)O1 ZINC000904345498 584868078 /nfs/dbraw/zinc/86/80/78/584868078.db2.gz FWOLLEDNKZEFEC-JHJVBQTASA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)C[C@H](CO)O1 ZINC000904345498 584868079 /nfs/dbraw/zinc/86/80/79/584868079.db2.gz FWOLLEDNKZEFEC-JHJVBQTASA-N 2 2 242.363 0.458 20 0 BCADLP CC(C)[C@@H]([NH3+])C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904350469 584869107 /nfs/dbraw/zinc/86/91/07/584869107.db2.gz MBGBQUATHCZMEV-RYUDHWBXSA-N 3 2 213.369 0.949 20 0 BCADLP [NH3+]Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000904350688 584869638 /nfs/dbraw/zinc/86/96/38/584869638.db2.gz PCTAEJUJTUTWMI-KGLIPLIRSA-N 3 2 231.343 0.939 20 0 BCADLP [NH3+]Cc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000904350688 584869640 /nfs/dbraw/zinc/86/96/40/584869640.db2.gz PCTAEJUJTUTWMI-KGLIPLIRSA-N 3 2 231.343 0.939 20 0 BCADLP [NH3+][C@H]1C[C@@H](C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000904354658 584870945 /nfs/dbraw/zinc/87/09/45/584870945.db2.gz IMNIRIFYNHFPGH-QEYWKRMJSA-N 3 2 201.289 0.013 20 0 BCADLP C[C@@]1(C[N@@H+]2CCCO[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904371505 584873340 /nfs/dbraw/zinc/87/33/40/584873340.db2.gz OULDXDUMGWBQOO-CHWSQXEVSA-N 3 2 241.379 0.426 20 0 BCADLP C[C@@]1(C[N@H+]2CCCO[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904371505 584873342 /nfs/dbraw/zinc/87/33/42/584873342.db2.gz OULDXDUMGWBQOO-CHWSQXEVSA-N 3 2 241.379 0.426 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(N)nn1 ZINC000904376418 584876185 /nfs/dbraw/zinc/87/61/85/584876185.db2.gz RPNQNMDGABADMR-RKDXNWHRSA-N 2 2 221.308 0.370 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(N)nn1 ZINC000904376418 584876186 /nfs/dbraw/zinc/87/61/86/584876186.db2.gz RPNQNMDGABADMR-RKDXNWHRSA-N 2 2 221.308 0.370 20 0 BCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccc(N)nn1)C2 ZINC000904381617 584876947 /nfs/dbraw/zinc/87/69/47/584876947.db2.gz QBGQJUYIVOHMDI-BETUJISGSA-N 2 2 247.346 0.490 20 0 BCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc(N)nn1)C2 ZINC000904381617 584876949 /nfs/dbraw/zinc/87/69/49/584876949.db2.gz QBGQJUYIVOHMDI-BETUJISGSA-N 2 2 247.346 0.490 20 0 BCADLP Nc1cc[nH+]c(C[NH2+]C2CCN(CC[NH3+])CC2)c1 ZINC000904385949 584877717 /nfs/dbraw/zinc/87/77/17/584877717.db2.gz LAYBJXRUXPVCFS-UHFFFAOYSA-N 3 2 249.362 0.177 20 0 BCADLP Nc1cc[nH+]c(C[NH2+]C2CC(C[NH3+])C2)c1 ZINC000904386194 584878030 /nfs/dbraw/zinc/87/80/30/584878030.db2.gz RUWKXEUGMFKLJQ-UHFFFAOYSA-N 3 2 206.293 0.491 20 0 BCADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(N)nn3)CC[C@H]21 ZINC000904385207 584878117 /nfs/dbraw/zinc/87/81/17/584878117.db2.gz VFQFTPCXJLGGHF-CMPLNLGQSA-N 2 2 247.346 0.585 20 0 BCADLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(N)nn3)CC[C@H]21 ZINC000904385207 584878119 /nfs/dbraw/zinc/87/81/19/584878119.db2.gz VFQFTPCXJLGGHF-CMPLNLGQSA-N 2 2 247.346 0.585 20 0 BCADLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(N)nn3)CC[C@H]21 ZINC000904385207 584878120 /nfs/dbraw/zinc/87/81/20/584878120.db2.gz VFQFTPCXJLGGHF-CMPLNLGQSA-N 2 2 247.346 0.585 20 0 BCADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(N)nn3)CC[C@H]21 ZINC000904385207 584878122 /nfs/dbraw/zinc/87/81/22/584878122.db2.gz VFQFTPCXJLGGHF-CMPLNLGQSA-N 2 2 247.346 0.585 20 0 BCADLP C[C@@H]1C[N@H+](Cc2csnn2)CC[C@@H]1C[NH3+] ZINC000904411961 584879786 /nfs/dbraw/zinc/87/97/86/584879786.db2.gz QTFROLBQQULGMI-RKDXNWHRSA-N 2 2 226.349 0.955 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2csnn2)CC[C@@H]1C[NH3+] ZINC000904411961 584879787 /nfs/dbraw/zinc/87/97/87/584879787.db2.gz QTFROLBQQULGMI-RKDXNWHRSA-N 2 2 226.349 0.955 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904398820 584880409 /nfs/dbraw/zinc/88/04/09/584880409.db2.gz UALKJNZVXSQLCO-MVWJERBFSA-N 2 2 246.314 0.826 20 0 BCADLP Cc1cc(NC(=O)N[C@H]2C[NH2+]CC2(C)C)cc[nH+]1 ZINC000904398394 584880663 /nfs/dbraw/zinc/88/06/63/584880663.db2.gz OGIIKBPCSWGNGU-NSHDSACASA-N 2 2 248.330 0.931 20 0 BCADLP CC(C)(C)CC[C@@H]([NH3+])C[NH2+][C@H]1CNOC1 ZINC000904424133 584880735 /nfs/dbraw/zinc/88/07/35/584880735.db2.gz NBQVJLGMUBQRAY-ZJUUUORDSA-N 2 2 215.341 0.633 20 0 BCADLP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CNOC2)CC1 ZINC000904425435 584881371 /nfs/dbraw/zinc/88/13/71/584881371.db2.gz MGQWODVXJJLCGO-LBPRGKRZSA-N 2 2 225.336 0.354 20 0 BCADLP C[C@@H]([NH3+])CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000877105486 584890047 /nfs/dbraw/zinc/89/00/47/584890047.db2.gz LAZDMMBTZRFWOL-ZJUUUORDSA-N 2 2 236.319 0.251 20 0 BCADLP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000877105485 584890054 /nfs/dbraw/zinc/89/00/54/584890054.db2.gz LAZDMMBTZRFWOL-VHSXEESVSA-N 2 2 236.319 0.251 20 0 BCADLP CON(C)C(=O)CC[NH2+]C(C)(C)C[NH+](C)C ZINC000839094270 585090738 /nfs/dbraw/zinc/09/07/38/585090738.db2.gz XMGMPZFXNFZPFZ-UHFFFAOYSA-N 2 2 231.340 0.326 20 0 BCADLP CC[C@@H](C(=O)N1CC[N@H+](C)[C@H](C)C1)[NH+](C)C ZINC000754466480 585285013 /nfs/dbraw/zinc/28/50/13/585285013.db2.gz ADSDRVOHODXCES-MNOVXSKESA-N 2 2 227.352 0.489 20 0 BCADLP CC[C@@H](C(=O)N1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000754466480 585285014 /nfs/dbraw/zinc/28/50/14/585285014.db2.gz ADSDRVOHODXCES-MNOVXSKESA-N 2 2 227.352 0.489 20 0 BCADLP C[N@@H+]1CCC[C@H](N2CC[NH+](CCF)CC2)C1 ZINC000759341725 585368921 /nfs/dbraw/zinc/36/89/21/585368921.db2.gz KTHQFWMCXRMOME-LBPRGKRZSA-N 2 2 229.343 0.668 20 0 BCADLP C[N@H+]1CCC[C@H](N2CC[NH+](CCF)CC2)C1 ZINC000759341725 585368922 /nfs/dbraw/zinc/36/89/22/585368922.db2.gz KTHQFWMCXRMOME-LBPRGKRZSA-N 2 2 229.343 0.668 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000759844789 585381317 /nfs/dbraw/zinc/38/13/17/585381317.db2.gz VVZBWNHLBYUQKT-ZJUUUORDSA-N 2 2 235.287 0.525 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H]2CCOC2=O)C1 ZINC000759844789 585381318 /nfs/dbraw/zinc/38/13/18/585381318.db2.gz VVZBWNHLBYUQKT-ZJUUUORDSA-N 2 2 235.287 0.525 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000759844787 585381399 /nfs/dbraw/zinc/38/13/99/585381399.db2.gz VVZBWNHLBYUQKT-UWVGGRQHSA-N 2 2 235.287 0.525 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H]2CCOC2=O)C1 ZINC000759844787 585381400 /nfs/dbraw/zinc/38/14/00/585381400.db2.gz VVZBWNHLBYUQKT-UWVGGRQHSA-N 2 2 235.287 0.525 20 0 BCADLP C[C@@H]1CN(CCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000761073857 585405481 /nfs/dbraw/zinc/40/54/81/585405481.db2.gz HTZVQYXLLRGQHU-CYBMUJFWSA-N 2 2 241.379 0.345 20 0 BCADLP C[C@@H]1CN(CCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000761073857 585405482 /nfs/dbraw/zinc/40/54/82/585405482.db2.gz HTZVQYXLLRGQHU-CYBMUJFWSA-N 2 2 241.379 0.345 20 0 BCADLP CC[N@H+](CC[C@@H]1CCC[NH+]1C)CC(=O)NC ZINC000767364920 585517970 /nfs/dbraw/zinc/51/79/70/585517970.db2.gz XTSSFYMUIYBTOW-NSHDSACASA-N 2 2 227.352 0.539 20 0 BCADLP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)CC(=O)NC ZINC000767364920 585517971 /nfs/dbraw/zinc/51/79/71/585517971.db2.gz XTSSFYMUIYBTOW-NSHDSACASA-N 2 2 227.352 0.539 20 0 BCADLP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)CC(=O)NC ZINC000767364920 585517972 /nfs/dbraw/zinc/51/79/72/585517972.db2.gz XTSSFYMUIYBTOW-NSHDSACASA-N 2 2 227.352 0.539 20 0 BCADLP CC[NH+](CC[C@@H]1CCC[N@H+]1C)CC(=O)NC ZINC000767364920 585517973 /nfs/dbraw/zinc/51/79/73/585517973.db2.gz XTSSFYMUIYBTOW-NSHDSACASA-N 2 2 227.352 0.539 20 0 BCADLP C[C@@H]1CC[N@H+](CC[NH2+]C2CCN(C=O)CC2)C1 ZINC000774211126 585654017 /nfs/dbraw/zinc/65/40/17/585654017.db2.gz UMIYVRNDAOYZHV-GFCCVEGCSA-N 2 2 239.363 0.539 20 0 BCADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CCN(C=O)CC2)C1 ZINC000774211126 585654018 /nfs/dbraw/zinc/65/40/18/585654018.db2.gz UMIYVRNDAOYZHV-GFCCVEGCSA-N 2 2 239.363 0.539 20 0 BCADLP C[C@@H]1C[C@H]([NH+](C)CC2OCCO2)CC[N@@H+]1C ZINC000777595937 585716351 /nfs/dbraw/zinc/71/63/51/585716351.db2.gz HSCSEERYZJAVLD-GHMZBOCLSA-N 2 2 228.336 0.774 20 0 BCADLP C[C@@H]1C[C@H]([NH+](C)CC2OCCO2)CC[N@H+]1C ZINC000777595937 585716352 /nfs/dbraw/zinc/71/63/52/585716352.db2.gz HSCSEERYZJAVLD-GHMZBOCLSA-N 2 2 228.336 0.774 20 0 BCADLP C[C@@H]1C[C@H]([N@H+](C)CC2OCCO2)CC[NH+]1C ZINC000777595937 585716353 /nfs/dbraw/zinc/71/63/53/585716353.db2.gz HSCSEERYZJAVLD-GHMZBOCLSA-N 2 2 228.336 0.774 20 0 BCADLP C[C@@H]1C[C@H]([N@@H+](C)CC2OCCO2)CC[NH+]1C ZINC000777595937 585716354 /nfs/dbraw/zinc/71/63/54/585716354.db2.gz HSCSEERYZJAVLD-GHMZBOCLSA-N 2 2 228.336 0.774 20 0 BCADLP C[C@@H]1C[C@@H]([NH+](C)CC2OCCO2)CC[N@@H+]1C ZINC000777595938 585716587 /nfs/dbraw/zinc/71/65/87/585716587.db2.gz HSCSEERYZJAVLD-MNOVXSKESA-N 2 2 228.336 0.774 20 0 BCADLP C[C@@H]1C[C@@H]([NH+](C)CC2OCCO2)CC[N@H+]1C ZINC000777595938 585716588 /nfs/dbraw/zinc/71/65/88/585716588.db2.gz HSCSEERYZJAVLD-MNOVXSKESA-N 2 2 228.336 0.774 20 0 BCADLP C[C@@H]1C[C@@H]([N@H+](C)CC2OCCO2)CC[NH+]1C ZINC000777595938 585716589 /nfs/dbraw/zinc/71/65/89/585716589.db2.gz HSCSEERYZJAVLD-MNOVXSKESA-N 2 2 228.336 0.774 20 0 BCADLP C[C@@H]1C[C@@H]([N@@H+](C)CC2OCCO2)CC[NH+]1C ZINC000777595938 585716590 /nfs/dbraw/zinc/71/65/90/585716590.db2.gz HSCSEERYZJAVLD-MNOVXSKESA-N 2 2 228.336 0.774 20 0 BCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(F)nc2)C1 ZINC000778177861 585726915 /nfs/dbraw/zinc/72/69/15/585726915.db2.gz XZBMSJFIHRUUCX-LBPRGKRZSA-N 2 2 239.294 0.377 20 0 BCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(F)nc2)C1 ZINC000778177861 585726916 /nfs/dbraw/zinc/72/69/16/585726916.db2.gz XZBMSJFIHRUUCX-LBPRGKRZSA-N 2 2 239.294 0.377 20 0 BCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCO ZINC000779401613 585753372 /nfs/dbraw/zinc/75/33/72/585753372.db2.gz WVULQQGFWHAVNK-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCO ZINC000779401613 585753373 /nfs/dbraw/zinc/75/33/73/585753373.db2.gz WVULQQGFWHAVNK-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP OC[C@@H]([NH2+]CC[NH+]1CCCC1)C1CCOCC1 ZINC000782529774 585819738 /nfs/dbraw/zinc/81/97/38/585819738.db2.gz RYHYQJNNHLFUHI-CYBMUJFWSA-N 2 2 242.363 0.459 20 0 BCADLP NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000782534805 585820043 /nfs/dbraw/zinc/82/00/43/585820043.db2.gz IEXJNCGLTYRFDJ-VXGBXAGGSA-N 2 2 239.363 0.716 20 0 BCADLP C[C@@H]1CN(C)C(=O)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000782586433 585820815 /nfs/dbraw/zinc/82/08/15/585820815.db2.gz NFBCJNFNKDFSNX-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP C[C@@H]1CN(C)C(=O)C[N@H+]1CCCn1cc[nH+]c1 ZINC000782586433 585820816 /nfs/dbraw/zinc/82/08/16/585820816.db2.gz NFBCJNFNKDFSNX-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP COCC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000786670588 585895991 /nfs/dbraw/zinc/89/59/91/585895991.db2.gz VRIXONMDVQPCRC-UHFFFAOYSA-N 2 2 242.363 0.820 20 0 BCADLP COCC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000786670588 585895992 /nfs/dbraw/zinc/89/59/92/585895992.db2.gz VRIXONMDVQPCRC-UHFFFAOYSA-N 2 2 242.363 0.820 20 0 BCADLP COC(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)OC ZINC000788002779 585918715 /nfs/dbraw/zinc/91/87/15/585918715.db2.gz ALHYXZBABLDQHK-UHFFFAOYSA-N 2 2 240.307 0.151 20 0 BCADLP C[NH+](C)C1CC[NH+](CC[S@](C)=O)CC1 ZINC000798193618 586139326 /nfs/dbraw/zinc/13/93/26/586139326.db2.gz MSFCGPHCUPTDCO-AWEZNQCLSA-N 2 2 218.366 0.391 20 0 BCADLP Cn1ncc(C[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000806165224 586407167 /nfs/dbraw/zinc/40/71/67/586407167.db2.gz DWAVOXLQDKNVSG-FRRDWIJNSA-N 2 2 249.362 0.778 20 0 BCADLP Cn1ncc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000806165224 586407169 /nfs/dbraw/zinc/40/71/69/586407169.db2.gz DWAVOXLQDKNVSG-FRRDWIJNSA-N 2 2 249.362 0.778 20 0 BCADLP Cc1ccc(Cc2nc(CC[NH3+])no2)c[nH+]1 ZINC000843127935 586413174 /nfs/dbraw/zinc/41/31/74/586413174.db2.gz BHFIZDATSNCMCO-UHFFFAOYSA-N 2 2 218.260 0.865 20 0 BCADLP Cc1cc(NC(=O)N(C)C[C@H](C)[NH3+])c(C)c[nH+]1 ZINC000859668624 589053467 /nfs/dbraw/zinc/05/34/67/589053467.db2.gz BKKVTURZGCTMKK-VIFPVBQESA-N 2 2 236.319 0.931 20 0 BCADLP Cn1ncc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000815140532 586669679 /nfs/dbraw/zinc/66/96/79/586669679.db2.gz AJULOUFDKLIHLT-MRVPVSSYSA-N 2 2 232.291 0.185 20 0 BCADLP Cn1ncc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000815140532 586669680 /nfs/dbraw/zinc/66/96/80/586669680.db2.gz AJULOUFDKLIHLT-MRVPVSSYSA-N 2 2 232.291 0.185 20 0 BCADLP Cn1ncc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)n1 ZINC000816612375 586744737 /nfs/dbraw/zinc/74/47/37/586744737.db2.gz NGUZUGIECHZZGM-DGCLKSJQSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)n1 ZINC000816612375 586744738 /nfs/dbraw/zinc/74/47/38/586744738.db2.gz NGUZUGIECHZZGM-DGCLKSJQSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)n1 ZINC000816612375 586744741 /nfs/dbraw/zinc/74/47/41/586744741.db2.gz NGUZUGIECHZZGM-DGCLKSJQSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)n1 ZINC000816612375 586744742 /nfs/dbraw/zinc/74/47/42/586744742.db2.gz NGUZUGIECHZZGM-DGCLKSJQSA-N 2 2 249.362 0.731 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[NH+](C2CCC2)CC1 ZINC000816925221 586771912 /nfs/dbraw/zinc/77/19/12/586771912.db2.gz JLEADJMZIFQZQG-UHFFFAOYSA-N 2 2 248.330 0.649 20 0 BCADLP CC[C@@H]([NH2+]CC1(C)OCCO1)[C@@H]1CCC[NH2+]1 ZINC000817916685 586839980 /nfs/dbraw/zinc/83/99/80/586839980.db2.gz JMTCYOCLSJKTEW-MNOVXSKESA-N 2 2 228.336 0.870 20 0 BCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000818224233 586880697 /nfs/dbraw/zinc/88/06/97/586880697.db2.gz IMDLBHHERDJPFD-DJLDLDEBSA-N 2 2 220.276 0.420 20 0 BCADLP CCS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000818341336 586887263 /nfs/dbraw/zinc/88/72/63/586887263.db2.gz ZFHSLAINSZFSPP-NXEZZACHSA-N 2 2 234.365 0.281 20 0 BCADLP CCn1nc(C)c(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000818614440 586906730 /nfs/dbraw/zinc/90/67/30/586906730.db2.gz ATWKPCSQBAKQMT-MNOVXSKESA-N 2 2 237.351 0.823 20 0 BCADLP CCn1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000818614439 586906846 /nfs/dbraw/zinc/90/68/46/586906846.db2.gz ATWKPCSQBAKQMT-GHMZBOCLSA-N 2 2 237.351 0.823 20 0 BCADLP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)C2CC2)C1 ZINC000819024071 586925193 /nfs/dbraw/zinc/92/51/93/586925193.db2.gz ZXRATMVZVHMXAN-VXGBXAGGSA-N 2 2 212.337 0.831 20 0 BCADLP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)C2CC2)C1 ZINC000819024071 586925195 /nfs/dbraw/zinc/92/51/95/586925195.db2.gz ZXRATMVZVHMXAN-VXGBXAGGSA-N 2 2 212.337 0.831 20 0 BCADLP O[C@H](C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000819039940 586926830 /nfs/dbraw/zinc/92/68/30/586926830.db2.gz VJZGYFFUIPACCU-CHWSQXEVSA-N 2 2 224.348 0.831 20 0 BCADLP O[C@H](C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000819039940 586926833 /nfs/dbraw/zinc/92/68/33/586926833.db2.gz VJZGYFFUIPACCU-CHWSQXEVSA-N 2 2 224.348 0.831 20 0 BCADLP C[NH+](C)[C@]1(C[NH2+]C[C@@H](O)C2CC2)CCSC1 ZINC000819131260 586932376 /nfs/dbraw/zinc/93/23/76/586932376.db2.gz NBSQMDIITZHTAE-NEPJUHHUSA-N 2 2 244.404 0.784 20 0 BCADLP O[C@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000819244483 586942762 /nfs/dbraw/zinc/94/27/62/586942762.db2.gz KRELFYNLRMTPMP-GHMZBOCLSA-N 2 2 221.304 0.558 20 0 BCADLP O=C(C[NH+]1CCCC1)NCc1c[nH+]c[nH]1 ZINC000820164585 587030535 /nfs/dbraw/zinc/03/05/35/587030535.db2.gz GRGHNSXXLGIOCS-UHFFFAOYSA-N 2 2 208.265 0.122 20 0 BCADLP O=C(C[NH+]1CCCC1)NCc1c[nH]c[nH+]1 ZINC000820164585 587030537 /nfs/dbraw/zinc/03/05/37/587030537.db2.gz GRGHNSXXLGIOCS-UHFFFAOYSA-N 2 2 208.265 0.122 20 0 BCADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cnnn1C ZINC000820810563 587073838 /nfs/dbraw/zinc/07/38/38/587073838.db2.gz ZGQDMIZZSQRFAT-WDEREUQCSA-N 2 2 237.351 0.808 20 0 BCADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cnnn1C ZINC000820810563 587073840 /nfs/dbraw/zinc/07/38/40/587073840.db2.gz ZGQDMIZZSQRFAT-WDEREUQCSA-N 2 2 237.351 0.808 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000822154221 587156996 /nfs/dbraw/zinc/15/69/96/587156996.db2.gz BUXACCORPJVYBK-QWRGUYRKSA-N 2 2 248.330 0.695 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000822154221 587156997 /nfs/dbraw/zinc/15/69/97/587156997.db2.gz BUXACCORPJVYBK-QWRGUYRKSA-N 2 2 248.330 0.695 20 0 BCADLP Cn1c[nH+]cc1Cc1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000822890936 587191412 /nfs/dbraw/zinc/19/14/12/587191412.db2.gz CMSYPLARDLYEPZ-SECBINFHSA-N 2 2 247.302 0.861 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1c1nc(Cc2c[nH+]cn2C)no1 ZINC000822891075 587191722 /nfs/dbraw/zinc/19/17/22/587191722.db2.gz FKAGSUMKHMMNHT-WCBMZHEXSA-N 2 2 247.302 0.859 20 0 BCADLP Cn1c[nH+]c(/C=C/C(=O)NCC2([NH+](C)C)CC2)c1 ZINC000822931421 587193963 /nfs/dbraw/zinc/19/39/63/587193963.db2.gz MRLPZQQMFOXZOY-SNAWJCMRSA-N 2 2 248.330 0.644 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)C1(C[NH+](C)C)CC1 ZINC000822996801 587197066 /nfs/dbraw/zinc/19/70/66/587197066.db2.gz CVLBDJRHSUYWNE-UHFFFAOYSA-N 2 2 236.319 0.378 20 0 BCADLP O=C(C[NH+]1CCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000823345812 587217267 /nfs/dbraw/zinc/21/72/67/587217267.db2.gz AWUWDCXZWOIFIY-SNVBAGLBSA-N 2 2 234.303 0.020 20 0 BCADLP C[C@@H]1C[NH+]=C(NC(=O)C2(C[NH+](C)C)CC2)S1 ZINC000823806570 587240905 /nfs/dbraw/zinc/24/09/05/587240905.db2.gz CULFZMOXUFCHDS-MRVPVSSYSA-N 2 2 241.360 0.936 20 0 BCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000824047213 587251228 /nfs/dbraw/zinc/25/12/28/587251228.db2.gz WTSGACFKOHJNGV-LLVKDONJSA-N 2 2 248.330 0.410 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CCC3(C2)OCCO3)n1C ZINC000824702598 587283703 /nfs/dbraw/zinc/28/37/03/587283703.db2.gz QOGCETVQUKTUGP-UHFFFAOYSA-N 2 2 237.303 0.677 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CCC3(C2)OCCO3)n1C ZINC000824702598 587283704 /nfs/dbraw/zinc/28/37/04/587283704.db2.gz QOGCETVQUKTUGP-UHFFFAOYSA-N 2 2 237.303 0.677 20 0 BCADLP C[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000826600027 587356355 /nfs/dbraw/zinc/35/63/55/587356355.db2.gz OFTUOYBTRBCYSF-VIFPVBQESA-N 2 2 222.292 0.163 20 0 BCADLP C[N@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000826600027 587356356 /nfs/dbraw/zinc/35/63/56/587356356.db2.gz OFTUOYBTRBCYSF-VIFPVBQESA-N 2 2 222.292 0.163 20 0 BCADLP C[NH+](C)CC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000826724524 587360201 /nfs/dbraw/zinc/36/02/01/587360201.db2.gz LSYLKEQKPSKCPJ-CYBMUJFWSA-N 2 2 247.342 0.851 20 0 BCADLP C[NH+](C)CC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000826724524 587360202 /nfs/dbraw/zinc/36/02/02/587360202.db2.gz LSYLKEQKPSKCPJ-CYBMUJFWSA-N 2 2 247.342 0.851 20 0 BCADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCNC1=O ZINC000826774516 587361764 /nfs/dbraw/zinc/36/17/64/587361764.db2.gz VIJXQSDDLSOZIP-LBPRGKRZSA-N 2 2 233.315 0.801 20 0 BCADLP CC(C)[N@H+](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000827591755 587391353 /nfs/dbraw/zinc/39/13/53/587391353.db2.gz WKBGXVSFTUDMCK-UHFFFAOYSA-N 2 2 224.308 0.409 20 0 BCADLP CC(C)[N@@H+](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000827591755 587391354 /nfs/dbraw/zinc/39/13/54/587391354.db2.gz WKBGXVSFTUDMCK-UHFFFAOYSA-N 2 2 224.308 0.409 20 0 BCADLP Cn1c[nH+]c(/C=C/C(=O)NC23CC[NH+](CC2)C3)c1 ZINC000828003070 587416044 /nfs/dbraw/zinc/41/60/44/587416044.db2.gz GGAWSFBRRLPSNE-NSCUHMNNSA-N 2 2 246.314 0.398 20 0 BCADLP C[N@@H+]1CCCC12CC[NH+](CC[S@@](C)=O)CC2 ZINC000828127195 587419983 /nfs/dbraw/zinc/41/99/83/587419983.db2.gz GKWOAFYROINLIW-MRXNPFEDSA-N 2 2 244.404 0.925 20 0 BCADLP C[N@H+]1CCCC12CC[NH+](CC[S@@](C)=O)CC2 ZINC000828127195 587419984 /nfs/dbraw/zinc/41/99/84/587419984.db2.gz GKWOAFYROINLIW-MRXNPFEDSA-N 2 2 244.404 0.925 20 0 BCADLP C[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)CC[N@@H+]1C ZINC000828773892 587461250 /nfs/dbraw/zinc/46/12/50/587461250.db2.gz KBJLVHBOZQEGLW-SNVBAGLBSA-N 2 2 225.336 0.243 20 0 BCADLP C[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)CC[N@H+]1C ZINC000828773892 587461252 /nfs/dbraw/zinc/46/12/52/587461252.db2.gz KBJLVHBOZQEGLW-SNVBAGLBSA-N 2 2 225.336 0.243 20 0 BCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000829450297 587498086 /nfs/dbraw/zinc/49/80/86/587498086.db2.gz PXTNLXJTPURZHP-ZYOFXKKJSA-N 2 2 248.330 0.644 20 0 BCADLP CC[N@H+]1CC[C@@H]1CNC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000829450297 587498087 /nfs/dbraw/zinc/49/80/87/587498087.db2.gz PXTNLXJTPURZHP-ZYOFXKKJSA-N 2 2 248.330 0.644 20 0 BCADLP CCn1nc(C)c(C[NH2+]C[C@H](C)C[NH+](C)C)n1 ZINC000830402415 587550331 /nfs/dbraw/zinc/55/03/31/587550331.db2.gz VXDGLRLOZHEIKT-JTQLQIEISA-N 2 2 239.367 0.894 20 0 BCADLP C[C@@]1(NC(=O)N[C@@H]2CCn3cc[nH+]c32)CC[NH2+]C1 ZINC000831092125 587585676 /nfs/dbraw/zinc/58/56/76/587585676.db2.gz IXDOBJGOWVRELS-BXKDBHETSA-N 2 2 249.318 0.379 20 0 BCADLP CC[N@@H+]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000831142962 587587676 /nfs/dbraw/zinc/58/76/76/587587676.db2.gz XWQDEVJGRICNIS-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP CC[N@H+]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000831142962 587587677 /nfs/dbraw/zinc/58/76/77/587587677.db2.gz XWQDEVJGRICNIS-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP C[C@H](C[NH3+])C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000832140600 587646065 /nfs/dbraw/zinc/64/60/65/587646065.db2.gz QXOUPWBMHHWJTD-RKDXNWHRSA-N 2 2 222.292 0.668 20 0 BCADLP CCN(CCC[NH+](C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC000832819930 587692218 /nfs/dbraw/zinc/69/22/18/587692218.db2.gz IRWOHJVBESKICK-UHFFFAOYSA-N 2 2 238.335 0.752 20 0 BCADLP C[C@@H](CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000834299739 587750705 /nfs/dbraw/zinc/75/07/05/587750705.db2.gz ZAOYZWQSYTYCLX-JQWIXIFHSA-N 2 2 239.363 0.524 20 0 BCADLP C[C@@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000834299739 587750706 /nfs/dbraw/zinc/75/07/06/587750706.db2.gz ZAOYZWQSYTYCLX-JQWIXIFHSA-N 2 2 239.363 0.524 20 0 BCADLP [NH3+]CC[N@H+](CCO)Cc1ccc2c(c1)COC2 ZINC000841059838 587935224 /nfs/dbraw/zinc/93/52/24/587935224.db2.gz XSCGTCBZUNTIAR-UHFFFAOYSA-N 2 2 236.315 0.470 20 0 BCADLP [NH3+]CC[N@@H+](CCO)Cc1ccc2c(c1)COC2 ZINC000841059838 587935225 /nfs/dbraw/zinc/93/52/25/587935225.db2.gz XSCGTCBZUNTIAR-UHFFFAOYSA-N 2 2 236.315 0.470 20 0 BCADLP [NH3+]CCc1ccc(C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000841035304 587937295 /nfs/dbraw/zinc/93/72/95/587937295.db2.gz ZNGQNDCGYKNQFH-ZDUSSCGKSA-N 3 2 219.332 0.639 20 0 BCADLP CCn1ncc(C[NH2+]C[C@@H](C)C[NH+](C)C)n1 ZINC000842211118 588007805 /nfs/dbraw/zinc/00/78/05/588007805.db2.gz KPSNYZUDZQHVQG-SNVBAGLBSA-N 2 2 225.340 0.585 20 0 BCADLP COc1ncncc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000842672404 588051000 /nfs/dbraw/zinc/05/10/00/588051000.db2.gz ZDKSJXBKDIEXAM-JTQLQIEISA-N 2 2 247.302 0.860 20 0 BCADLP C[C@H](O)c1ncc(C[N@H+](C)CCC[NH3+])s1 ZINC000843050365 588077052 /nfs/dbraw/zinc/07/70/52/588077052.db2.gz JNRWYKSNRWEPMS-QMMMGPOBSA-N 2 2 229.349 0.977 20 0 BCADLP C[C@H](O)c1ncc(C[N@@H+](C)CCC[NH3+])s1 ZINC000843050365 588077054 /nfs/dbraw/zinc/07/70/54/588077054.db2.gz JNRWYKSNRWEPMS-QMMMGPOBSA-N 2 2 229.349 0.977 20 0 BCADLP C([C@@H]1CCC[NH2+]1)[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000843067358 588078394 /nfs/dbraw/zinc/07/83/94/588078394.db2.gz YKQQYCBDJQIWCC-SRVKXCTJSA-N 2 2 242.388 0.945 20 0 BCADLP C([C@@H]1CCC[NH2+]1)[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000843067358 588078396 /nfs/dbraw/zinc/07/83/96/588078396.db2.gz YKQQYCBDJQIWCC-SRVKXCTJSA-N 2 2 242.388 0.945 20 0 BCADLP CCCS(=O)(=O)CC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000843356318 588102883 /nfs/dbraw/zinc/10/28/83/588102883.db2.gz TXTGOATYTSTRHU-NSHDSACASA-N 2 2 248.392 0.528 20 0 BCADLP CCCCOC(=O)CC[N@H+](C)[C@H](C)C[NH3+] ZINC000843353575 588103013 /nfs/dbraw/zinc/10/30/13/588103013.db2.gz LMYWGWKQQZXKTJ-SNVBAGLBSA-N 2 2 216.325 0.999 20 0 BCADLP CCCCOC(=O)CC[N@@H+](C)[C@H](C)C[NH3+] ZINC000843353575 588103014 /nfs/dbraw/zinc/10/30/14/588103014.db2.gz LMYWGWKQQZXKTJ-SNVBAGLBSA-N 2 2 216.325 0.999 20 0 BCADLP CCCCOC(=O)CC[N@H+](C)[C@@H](C)C[NH3+] ZINC000843353573 588103328 /nfs/dbraw/zinc/10/33/28/588103328.db2.gz LMYWGWKQQZXKTJ-JTQLQIEISA-N 2 2 216.325 0.999 20 0 BCADLP CCCCOC(=O)CC[N@@H+](C)[C@@H](C)C[NH3+] ZINC000843353573 588103329 /nfs/dbraw/zinc/10/33/29/588103329.db2.gz LMYWGWKQQZXKTJ-JTQLQIEISA-N 2 2 216.325 0.999 20 0 BCADLP C[C@H]([NH2+]CCC[NH3+])c1nnnn1C1CC1 ZINC000843364356 588104570 /nfs/dbraw/zinc/10/45/70/588104570.db2.gz DQGISCZAOYEJGH-ZETCQYMHSA-N 2 2 210.285 0.007 20 0 BCADLP CCCOC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000843381703 588105540 /nfs/dbraw/zinc/10/55/40/588105540.db2.gz GOTMLAUEFSYNQD-JQWIXIFHSA-N 2 2 228.336 0.999 20 0 BCADLP CCCOC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000843381703 588105542 /nfs/dbraw/zinc/10/55/42/588105542.db2.gz GOTMLAUEFSYNQD-JQWIXIFHSA-N 2 2 228.336 0.999 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000843487927 588114787 /nfs/dbraw/zinc/11/47/87/588114787.db2.gz MHWRBNRYDAYBMY-LLVKDONJSA-N 2 2 240.282 0.080 20 0 BCADLP CC[NH2+]CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000843493027 588115366 /nfs/dbraw/zinc/11/53/66/588115366.db2.gz BWEONTGTTFLCQB-SECBINFHSA-N 2 2 222.292 0.683 20 0 BCADLP CC[NH2+]CC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000844177626 588171869 /nfs/dbraw/zinc/17/18/69/588171869.db2.gz NXACCFRDYKTJBU-UHFFFAOYSA-N 2 2 236.319 0.656 20 0 BCADLP Cc1cccn2cc(CC(=O)N[C@@H](C)C[NH3+])[nH+]c12 ZINC000844197025 588173404 /nfs/dbraw/zinc/17/34/04/588173404.db2.gz UKVMCUBDNOSFTR-JTQLQIEISA-N 2 2 246.314 0.649 20 0 BCADLP CCCN(C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000844226066 588174379 /nfs/dbraw/zinc/17/43/79/588174379.db2.gz BVGXSZJZJLCKMC-JTQLQIEISA-N 2 2 228.340 0.023 20 0 BCADLP CCCN(C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000844226066 588174380 /nfs/dbraw/zinc/17/43/80/588174380.db2.gz BVGXSZJZJLCKMC-JTQLQIEISA-N 2 2 228.340 0.023 20 0 BCADLP c1ncn(CC[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)n1 ZINC000844226312 588174426 /nfs/dbraw/zinc/17/44/26/588174426.db2.gz MHYCJKXZYQACKV-LLVKDONJSA-N 2 2 221.308 0.106 20 0 BCADLP c1ncn(CC[N@H+]2CC[C@]3(CCC[NH2+]3)C2)n1 ZINC000844226312 588174427 /nfs/dbraw/zinc/17/44/27/588174427.db2.gz MHYCJKXZYQACKV-LLVKDONJSA-N 2 2 221.308 0.106 20 0 BCADLP COC(=O)CC1([NH2+]CC[NH+]2CCCC2)CC1 ZINC000844388019 588188639 /nfs/dbraw/zinc/18/86/39/588188639.db2.gz VHYSGILUDJZULL-UHFFFAOYSA-N 2 2 226.320 0.768 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(F)nc1 ZINC000846668714 588281668 /nfs/dbraw/zinc/28/16/68/588281668.db2.gz KIQMEEVVPZVDAK-VIFPVBQESA-N 2 2 240.282 0.438 20 0 BCADLP CCCCCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000846668031 588281748 /nfs/dbraw/zinc/28/17/48/588281748.db2.gz RFLLFYJMPNEFAQ-LLVKDONJSA-N 2 2 229.368 0.962 20 0 BCADLP C[C@@H](C[NH3+])NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000846675827 588282108 /nfs/dbraw/zinc/28/21/08/588282108.db2.gz YQNCQNOMONPHQH-VIFPVBQESA-N 2 2 236.319 0.225 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC[S@](C)=O)C1 ZINC000846838620 588292127 /nfs/dbraw/zinc/29/21/27/588292127.db2.gz QNUIIYGBNPVEMI-HWPZZCPQSA-N 2 2 241.360 0.588 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC[S@](C)=O)C1 ZINC000846838620 588292128 /nfs/dbraw/zinc/29/21/28/588292128.db2.gz QNUIIYGBNPVEMI-HWPZZCPQSA-N 2 2 241.360 0.588 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000846868648 588294458 /nfs/dbraw/zinc/29/44/58/588294458.db2.gz TXBWHADDKARZGN-WCQYABFASA-N 2 2 235.331 0.667 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000846868648 588294459 /nfs/dbraw/zinc/29/44/59/588294459.db2.gz TXBWHADDKARZGN-WCQYABFASA-N 2 2 235.331 0.667 20 0 BCADLP [NH2+]=C(NCCCn1cc[nH+]c1)N1CCC1 ZINC000848980446 588423341 /nfs/dbraw/zinc/42/33/41/588423341.db2.gz MWKBXCSLDBBOEZ-UHFFFAOYSA-N 2 2 207.281 0.503 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H](CO)C2CC2)n1C ZINC000850137016 588521425 /nfs/dbraw/zinc/52/14/25/588521425.db2.gz IFSVESMGEMAPDI-NSHDSACASA-N 2 2 209.293 0.589 20 0 BCADLP CON(C)CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000850480873 588551124 /nfs/dbraw/zinc/55/11/24/588551124.db2.gz WDXVLZPVJSSJLQ-PWSUYJOCSA-N 2 2 227.352 0.552 20 0 BCADLP CON(C)CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000850480873 588551125 /nfs/dbraw/zinc/55/11/25/588551125.db2.gz WDXVLZPVJSSJLQ-PWSUYJOCSA-N 2 2 227.352 0.552 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@@H]2CCC(=O)O2)C1 ZINC000851868827 588637068 /nfs/dbraw/zinc/63/70/68/588637068.db2.gz VRVVQUIHPBOYIE-QWRGUYRKSA-N 2 2 249.314 0.915 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@@H]2CCC(=O)O2)C1 ZINC000851868827 588637069 /nfs/dbraw/zinc/63/70/69/588637069.db2.gz VRVVQUIHPBOYIE-QWRGUYRKSA-N 2 2 249.314 0.915 20 0 BCADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC[S@](C)=O)C2 ZINC000852104964 588663590 /nfs/dbraw/zinc/66/35/90/588663590.db2.gz HLJPSCIKVVBHAX-LRDDRELGSA-N 2 2 244.404 0.783 20 0 BCADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC[S@](C)=O)C2 ZINC000852104964 588663591 /nfs/dbraw/zinc/66/35/91/588663591.db2.gz HLJPSCIKVVBHAX-LRDDRELGSA-N 2 2 244.404 0.783 20 0 BCADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC[S@](C)=O)C2 ZINC000852104964 588663592 /nfs/dbraw/zinc/66/35/92/588663592.db2.gz HLJPSCIKVVBHAX-LRDDRELGSA-N 2 2 244.404 0.783 20 0 BCADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC[S@](C)=O)C2 ZINC000852104964 588663593 /nfs/dbraw/zinc/66/35/93/588663593.db2.gz HLJPSCIKVVBHAX-LRDDRELGSA-N 2 2 244.404 0.783 20 0 BCADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC1OCCO1)C2 ZINC000852105401 588664174 /nfs/dbraw/zinc/66/41/74/588664174.db2.gz JQYDXWJLNRDOAT-CYBMUJFWSA-N 2 2 240.347 0.777 20 0 BCADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC1OCCO1)C2 ZINC000852105401 588664175 /nfs/dbraw/zinc/66/41/75/588664175.db2.gz JQYDXWJLNRDOAT-CYBMUJFWSA-N 2 2 240.347 0.777 20 0 BCADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC1OCCO1)C2 ZINC000852105401 588664176 /nfs/dbraw/zinc/66/41/76/588664176.db2.gz JQYDXWJLNRDOAT-CYBMUJFWSA-N 2 2 240.347 0.777 20 0 BCADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC1OCCO1)C2 ZINC000852105401 588664177 /nfs/dbraw/zinc/66/41/77/588664177.db2.gz JQYDXWJLNRDOAT-CYBMUJFWSA-N 2 2 240.347 0.777 20 0 BCADLP CC(=O)CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852710841 588697051 /nfs/dbraw/zinc/69/70/51/588697051.db2.gz WVEKPTBPTOBDSZ-ZDUSSCGKSA-N 2 2 240.347 0.497 20 0 BCADLP CC(=O)CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000852710841 588697052 /nfs/dbraw/zinc/69/70/52/588697052.db2.gz WVEKPTBPTOBDSZ-ZDUSSCGKSA-N 2 2 240.347 0.497 20 0 BCADLP CO[C@@H](C[N@H+](CC[NH3+])CCO)C1CCCC1 ZINC000852746851 588699014 /nfs/dbraw/zinc/69/90/14/588699014.db2.gz RTUJNURBWRGVHP-LBPRGKRZSA-N 2 2 230.352 0.445 20 0 BCADLP CO[C@@H](C[N@@H+](CC[NH3+])CCO)C1CCCC1 ZINC000852746851 588699015 /nfs/dbraw/zinc/69/90/15/588699015.db2.gz RTUJNURBWRGVHP-LBPRGKRZSA-N 2 2 230.352 0.445 20 0 BCADLP c1ccc([C@H]2CC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)nc1 ZINC000852750225 588700033 /nfs/dbraw/zinc/70/00/33/588700033.db2.gz ONISAQTVKNWIBH-STQMWFEESA-N 2 2 247.342 0.859 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852754339 588700431 /nfs/dbraw/zinc/70/04/31/588700431.db2.gz TWUYSPZQOOGEPY-QMMMGPOBSA-N 2 2 209.293 0.203 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852754339 588700432 /nfs/dbraw/zinc/70/04/32/588700432.db2.gz TWUYSPZQOOGEPY-QMMMGPOBSA-N 2 2 209.293 0.203 20 0 BCADLP CCC/C=C\C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000852797844 588703644 /nfs/dbraw/zinc/70/36/44/588703644.db2.gz CEZUZXLPBLOOFJ-GZTOBOFZSA-N 2 2 225.336 0.444 20 0 BCADLP CCC/C=C\C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000852797844 588703645 /nfs/dbraw/zinc/70/36/45/588703645.db2.gz CEZUZXLPBLOOFJ-GZTOBOFZSA-N 2 2 225.336 0.444 20 0 BCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[NH3+])ccn12 ZINC000852878111 588710317 /nfs/dbraw/zinc/71/03/17/588710317.db2.gz IKHITHWMHKRRDM-QMMMGPOBSA-N 2 2 232.287 0.720 20 0 BCADLP C[NH2+]CCOCC[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000863544505 589298054 /nfs/dbraw/zinc/29/80/54/589298054.db2.gz WDWMGJYOKVQYMX-LLVKDONJSA-N 2 2 238.335 0.613 20 0 BCADLP CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000863547385 589298367 /nfs/dbraw/zinc/29/83/67/589298367.db2.gz KDYFRNVJTBULAH-LPEHRKFASA-N 2 2 229.324 0.125 20 0 BCADLP CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000863547381 589298408 /nfs/dbraw/zinc/29/84/08/589298408.db2.gz KDYFRNVJTBULAH-BBBLOLIVSA-N 2 2 229.324 0.125 20 0 BCADLP CNC(=O)c1cccc(C[N@H+](C)C[C@@H](C)[NH3+])c1 ZINC000863567559 589300316 /nfs/dbraw/zinc/30/03/16/589300316.db2.gz DPXGYMQYMCBVOW-SNVBAGLBSA-N 2 2 235.331 0.825 20 0 BCADLP CNC(=O)c1cccc(C[N@@H+](C)C[C@@H](C)[NH3+])c1 ZINC000863567559 589300317 /nfs/dbraw/zinc/30/03/17/589300317.db2.gz DPXGYMQYMCBVOW-SNVBAGLBSA-N 2 2 235.331 0.825 20 0 BCADLP CC(C)(C)N1CC[C@H]([NH2+]Cc2c[nH+]c[nH]2)C1=O ZINC000864049828 589334376 /nfs/dbraw/zinc/33/43/76/589334376.db2.gz MBDWKGZXWMZVIM-JTQLQIEISA-N 2 2 236.319 0.899 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H]2C(=O)NCC2(C)C)n1C ZINC000864052507 589334962 /nfs/dbraw/zinc/33/49/62/589334962.db2.gz MWWPIUHXMGZTTG-SNVBAGLBSA-N 2 2 236.319 0.343 20 0 BCADLP C[C@@H]1C[C@@H]1NC(=[NH2+])NCCc1cn(C)c[nH+]1 ZINC000864466742 589371516 /nfs/dbraw/zinc/37/15/16/589371516.db2.gz ONRCFWNPKSWOGJ-SCZZXKLOSA-N 2 2 221.308 0.485 20 0 BCADLP CC(=O)NCC1CCC([NH2+]CC[NH+](C)C)CC1 ZINC000865397194 589431708 /nfs/dbraw/zinc/43/17/08/589431708.db2.gz DNZKVDYXFOODMP-UHFFFAOYSA-N 2 2 241.379 0.833 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)CO1 ZINC000865658978 589455037 /nfs/dbraw/zinc/45/50/37/589455037.db2.gz BNPXSIXQBBINFJ-GRYCIOLGSA-N 2 2 242.363 0.599 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)CO1 ZINC000865658978 589455038 /nfs/dbraw/zinc/45/50/38/589455038.db2.gz BNPXSIXQBBINFJ-GRYCIOLGSA-N 2 2 242.363 0.599 20 0 BCADLP Cc1cccn2c(C[NH2+]C[C@@H](O)[C@@H](C)O)c[nH+]c12 ZINC000865738681 589459649 /nfs/dbraw/zinc/45/96/49/589459649.db2.gz JCSPCQWZGLPVKF-ZYHUDNBSSA-N 2 2 249.314 0.474 20 0 BCADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H](O)[C@H](C)O)n2c1 ZINC000865739991 589460301 /nfs/dbraw/zinc/46/03/01/589460301.db2.gz YXEJGCUTZSPEDR-CMPLNLGQSA-N 2 2 249.314 0.474 20 0 BCADLP C[N@@H+]1CCN(C(=O)/C=C/c2ccco2)[C@H](C[NH3+])C1 ZINC000120759878 589462349 /nfs/dbraw/zinc/46/23/49/589462349.db2.gz JIQZTTUEMWNDHC-SGUJLRQBSA-N 2 2 249.314 0.394 20 0 BCADLP C[N@H+]1CCN(C(=O)/C=C/c2ccco2)[C@H](C[NH3+])C1 ZINC000120759878 589462350 /nfs/dbraw/zinc/46/23/50/589462350.db2.gz JIQZTTUEMWNDHC-SGUJLRQBSA-N 2 2 249.314 0.394 20 0 BCADLP Cc1nc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)nc(N)[nH+]1 ZINC000866210014 589480669 /nfs/dbraw/zinc/48/06/69/589480669.db2.gz XWVMZDODRAGSCV-VHSXEESVSA-N 2 2 248.334 0.293 20 0 BCADLP Cc1nc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)nc(N)[nH+]1 ZINC000866210014 589480670 /nfs/dbraw/zinc/48/06/70/589480670.db2.gz XWVMZDODRAGSCV-VHSXEESVSA-N 2 2 248.334 0.293 20 0 BCADLP Cc1nc(N)nc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)[nH+]1 ZINC000866210014 589480671 /nfs/dbraw/zinc/48/06/71/589480671.db2.gz XWVMZDODRAGSCV-VHSXEESVSA-N 2 2 248.334 0.293 20 0 BCADLP Cc1nc(N)nc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)[nH+]1 ZINC000866210014 589480672 /nfs/dbraw/zinc/48/06/72/589480672.db2.gz XWVMZDODRAGSCV-VHSXEESVSA-N 2 2 248.334 0.293 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866414805 589491758 /nfs/dbraw/zinc/49/17/58/589491758.db2.gz SYQONEFYDGTCMH-UTUOFQBUSA-N 2 2 244.379 0.845 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866414805 589491760 /nfs/dbraw/zinc/49/17/60/589491760.db2.gz SYQONEFYDGTCMH-UTUOFQBUSA-N 2 2 244.379 0.845 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)CCc1ccc(C(N)=O)cc1 ZINC000866659906 589508133 /nfs/dbraw/zinc/50/81/33/589508133.db2.gz XMRSKUATUWCXHR-JTQLQIEISA-N 2 2 235.331 0.607 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)CCc1ccc(C(N)=O)cc1 ZINC000866659906 589508135 /nfs/dbraw/zinc/50/81/35/589508135.db2.gz XMRSKUATUWCXHR-JTQLQIEISA-N 2 2 235.331 0.607 20 0 BCADLP Cc1cc(C)c(CN(CC[NH3+])CCO)c(C)[nH+]1 ZINC000866660546 589508248 /nfs/dbraw/zinc/50/82/48/589508248.db2.gz JXPXISOMBXBGGF-UHFFFAOYSA-N 2 2 237.347 0.760 20 0 BCADLP CC1(C)C[C@@H](O)C[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000866702709 589513208 /nfs/dbraw/zinc/51/32/08/589513208.db2.gz FMNOEGYUODDUMG-GHMZBOCLSA-N 2 2 228.336 0.068 20 0 BCADLP CC1(C)C[C@@H](O)C[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000866702709 589513210 /nfs/dbraw/zinc/51/32/10/589513210.db2.gz FMNOEGYUODDUMG-GHMZBOCLSA-N 2 2 228.336 0.068 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCN(C)c2ncccc2C1 ZINC000866727173 589516691 /nfs/dbraw/zinc/51/66/91/589516691.db2.gz GNCLUGRRHSBFAW-UHFFFAOYSA-N 2 2 234.347 0.943 20 0 BCADLP C[NH2+]CCC[N@H+]1CCN(C)c2ncccc2C1 ZINC000866727173 589516692 /nfs/dbraw/zinc/51/66/92/589516692.db2.gz GNCLUGRRHSBFAW-UHFFFAOYSA-N 2 2 234.347 0.943 20 0 BCADLP C[C@@H]([NH3+])C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000867998804 589543027 /nfs/dbraw/zinc/54/30/27/589543027.db2.gz INUWKPGRCSIADO-BXKDBHETSA-N 2 2 233.315 0.637 20 0 BCADLP C[C@@H]([NH3+])C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000867998804 589543028 /nfs/dbraw/zinc/54/30/28/589543028.db2.gz INUWKPGRCSIADO-BXKDBHETSA-N 2 2 233.315 0.637 20 0 BCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C1([NH3+])CC1 ZINC000867998401 589543137 /nfs/dbraw/zinc/54/31/37/589543137.db2.gz BJQCEDPVSZFBLJ-LBPRGKRZSA-N 2 2 245.326 0.781 20 0 BCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C1([NH3+])CC1 ZINC000867998401 589543138 /nfs/dbraw/zinc/54/31/38/589543138.db2.gz BJQCEDPVSZFBLJ-LBPRGKRZSA-N 2 2 245.326 0.781 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000868140179 589550321 /nfs/dbraw/zinc/55/03/21/589550321.db2.gz LJOCMRJRAGCAFF-MGCOHNPYSA-N 2 2 234.303 0.671 20 0 BCADLP Cc1cc(NC(=O)NC[C@H]2C[C@H]([NH3+])C2)cc[nH+]1 ZINC000868140337 589550333 /nfs/dbraw/zinc/55/03/33/589550333.db2.gz NZOJLRNKJMRURQ-MGCOHNPYSA-N 2 2 234.303 0.671 20 0 BCADLP Cc1cc(NC(=O)NC[C@H]2C[C@H]([NH3+])C2)c(C)c[nH+]1 ZINC000868140445 589550533 /nfs/dbraw/zinc/55/05/33/589550533.db2.gz PEEVSWIZBSKSRW-XYPYZODXSA-N 2 2 248.330 0.979 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)CC[NH2+]CC1CC1 ZINC000870951391 589701270 /nfs/dbraw/zinc/70/12/70/589701270.db2.gz RPJFALFUHQVSFG-UHFFFAOYSA-N 2 2 236.319 0.758 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)CC[NH2+]CC1CC1 ZINC000870951391 589701271 /nfs/dbraw/zinc/70/12/71/589701271.db2.gz RPJFALFUHQVSFG-UHFFFAOYSA-N 2 2 236.319 0.758 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@H]2C[C@H]([NH3+])C2)c[nH+]1 ZINC000870970725 589703292 /nfs/dbraw/zinc/70/32/92/589703292.db2.gz GYKUQCCBMPACGT-ZKCHVHJHSA-N 2 2 208.265 0.185 20 0 BCADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCOC[C@H]2O)C[N@@H+]1C1CC1 ZINC000872141364 589882731 /nfs/dbraw/zinc/88/27/31/589882731.db2.gz TVUURINJQVKRPU-YRRQLQLVSA-N 2 2 240.347 0.351 20 0 BCADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCOC[C@H]2O)C[N@H+]1C1CC1 ZINC000872141364 589882734 /nfs/dbraw/zinc/88/27/34/589882734.db2.gz TVUURINJQVKRPU-YRRQLQLVSA-N 2 2 240.347 0.351 20 0 BCADLP [NH3+]CC[N@H+](CCO)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000872143450 589883420 /nfs/dbraw/zinc/88/34/20/589883420.db2.gz MOYWJTDKOGIOAC-WOPDTQHZSA-N 2 2 228.336 0.197 20 0 BCADLP [NH3+]CC[N@@H+](CCO)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000872143450 589883423 /nfs/dbraw/zinc/88/34/23/589883423.db2.gz MOYWJTDKOGIOAC-WOPDTQHZSA-N 2 2 228.336 0.197 20 0 BCADLP C[NH2+]CCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872153008 589884875 /nfs/dbraw/zinc/88/48/75/589884875.db2.gz XUZUGBHQCLYEPA-RKDXNWHRSA-N 3 2 239.285 0.665 20 0 BCADLP C[NH2+]CCC[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872153008 589884877 /nfs/dbraw/zinc/88/48/77/589884877.db2.gz XUZUGBHQCLYEPA-RKDXNWHRSA-N 3 2 239.285 0.665 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000872149464 589885325 /nfs/dbraw/zinc/88/53/25/589885325.db2.gz OLZNHYGNFDKNAX-RWMBFGLXSA-N 3 2 223.364 0.527 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000872149464 589885327 /nfs/dbraw/zinc/88/53/27/589885327.db2.gz OLZNHYGNFDKNAX-RWMBFGLXSA-N 3 2 223.364 0.527 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cccnc1N)C2 ZINC000872154467 589885818 /nfs/dbraw/zinc/88/58/18/589885818.db2.gz QQCWIYVHPOZZSO-WCQYABFASA-N 2 2 232.331 0.705 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1cccnc1N)C2 ZINC000872154467 589885820 /nfs/dbraw/zinc/88/58/20/589885820.db2.gz QQCWIYVHPOZZSO-WCQYABFASA-N 2 2 232.331 0.705 20 0 BCADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]CC2(O)CCC2)C1 ZINC000872218408 589895933 /nfs/dbraw/zinc/89/59/33/589895933.db2.gz NKZFQSPIQITPSS-NSHDSACASA-N 2 2 242.363 0.336 20 0 BCADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]CC2(O)CCC2)C1 ZINC000872218408 589895935 /nfs/dbraw/zinc/89/59/35/589895935.db2.gz NKZFQSPIQITPSS-NSHDSACASA-N 2 2 242.363 0.336 20 0 BCADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000873064882 589982048 /nfs/dbraw/zinc/98/20/48/589982048.db2.gz LEOARSVSAJETIS-NEPJUHHUSA-N 2 2 239.363 0.729 20 0 BCADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000873064882 589982050 /nfs/dbraw/zinc/98/20/50/589982050.db2.gz LEOARSVSAJETIS-NEPJUHHUSA-N 2 2 239.363 0.729 20 0 BCADLP Nc1cnc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cn1 ZINC000873200388 589993243 /nfs/dbraw/zinc/99/32/43/589993243.db2.gz AEWIEZJDTABUGC-UHFFFAOYSA-N 2 2 247.346 0.775 20 0 BCADLP Nc1cnc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cn1 ZINC000873200388 589993245 /nfs/dbraw/zinc/99/32/45/589993245.db2.gz AEWIEZJDTABUGC-UHFFFAOYSA-N 2 2 247.346 0.775 20 0 BCADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(N)cn2)CC[N@@H+]1C ZINC000873206946 589994468 /nfs/dbraw/zinc/99/44/68/589994468.db2.gz GROBBGCPRCJAPI-CMPLNLGQSA-N 2 2 249.362 0.973 20 0 BCADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(N)cn2)CC[N@H+]1C ZINC000873206946 589994469 /nfs/dbraw/zinc/99/44/69/589994469.db2.gz GROBBGCPRCJAPI-CMPLNLGQSA-N 2 2 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GZEYCPDXWLPWLG-NEPJUHHUSA-N 2 2 244.379 0.704 20 0 BCADLP COC[C@H](C)C[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000877665082 590388747 /nfs/dbraw/zinc/38/87/47/590388747.db2.gz GZEYCPDXWLPWLG-NEPJUHHUSA-N 2 2 244.379 0.704 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cn[nH]c3)CC[C@H]21 ZINC000877739976 590407497 /nfs/dbraw/zinc/40/74/97/590407497.db2.gz PWELBSGCLCQFDL-VXGBXAGGSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cn[nH]c3)CC[C@H]21 ZINC000877739976 590407492 /nfs/dbraw/zinc/40/74/92/590407492.db2.gz PWELBSGCLCQFDL-VXGBXAGGSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cn[nH]c3)CC[C@H]21 ZINC000877739976 590407494 /nfs/dbraw/zinc/40/74/94/590407494.db2.gz PWELBSGCLCQFDL-VXGBXAGGSA-N 2 2 220.320 0.936 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cn[nH]c3)CC[C@H]21 ZINC000877739976 590407499 /nfs/dbraw/zinc/40/74/99/590407499.db2.gz PWELBSGCLCQFDL-VXGBXAGGSA-N 2 2 220.320 0.936 20 0 BCADLP c1cn(C2CC[NH+](CCn3cnnn3)CC2)c[nH+]1 ZINC000878172330 590515289 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590812810 /nfs/dbraw/zinc/81/28/10/590812810.db2.gz AVKQYSQHKAIDJD-JQWIXIFHSA-N 2 2 235.335 0.373 20 0 BCADLP C[N@H+]1CC[C@H]2C[NH+](CCc3cn[nH]n3)CC[C@@H]21 ZINC000879578118 590812814 /nfs/dbraw/zinc/81/28/14/590812814.db2.gz AVKQYSQHKAIDJD-JQWIXIFHSA-N 2 2 235.335 0.373 20 0 BCADLP C[NH+]1CC[C@H]2C[N@H+](CCc3cn[nH]n3)CC[C@@H]21 ZINC000879578118 590812818 /nfs/dbraw/zinc/81/28/18/590812818.db2.gz AVKQYSQHKAIDJD-JQWIXIFHSA-N 2 2 235.335 0.373 20 0 BCADLP C[NH+]1CC[C@H]2C[N@@H+](CCc3cn[nH]n3)CC[C@@H]21 ZINC000879578118 590812821 /nfs/dbraw/zinc/81/28/21/590812821.db2.gz AVKQYSQHKAIDJD-JQWIXIFHSA-N 2 2 235.335 0.373 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCCNC3=O)CC[C@@H]21 ZINC000879577511 590813341 /nfs/dbraw/zinc/81/33/41/590813341.db2.gz JTIJXMBRWWWLTC-GRYCIOLGSA-N 2 2 237.347 0.291 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCCNC3=O)CC[C@@H]21 ZINC000879577511 590813346 /nfs/dbraw/zinc/81/33/46/590813346.db2.gz JTIJXMBRWWWLTC-GRYCIOLGSA-N 2 2 237.347 0.291 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)CC[C@@H]21 ZINC000879577511 590813348 /nfs/dbraw/zinc/81/33/48/590813348.db2.gz JTIJXMBRWWWLTC-GRYCIOLGSA-N 2 2 237.347 0.291 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)CC[C@@H]21 ZINC000879577511 590813351 /nfs/dbraw/zinc/81/33/51/590813351.db2.gz JTIJXMBRWWWLTC-GRYCIOLGSA-N 2 2 237.347 0.291 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573998 590815026 /nfs/dbraw/zinc/81/50/26/590815026.db2.gz VOVCZMNZDXEBGY-AXFHLTTASA-N 2 2 225.336 0.276 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573998 590815030 /nfs/dbraw/zinc/81/50/30/590815030.db2.gz VOVCZMNZDXEBGY-AXFHLTTASA-N 2 2 225.336 0.276 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573998 590815035 /nfs/dbraw/zinc/81/50/35/590815035.db2.gz VOVCZMNZDXEBGY-AXFHLTTASA-N 2 2 225.336 0.276 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573998 590815038 /nfs/dbraw/zinc/81/50/38/590815038.db2.gz VOVCZMNZDXEBGY-AXFHLTTASA-N 2 2 225.336 0.276 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](CC3OCCO3)CC[C@@H]21 ZINC000879579980 590817405 /nfs/dbraw/zinc/81/74/05/590817405.db2.gz CQAAQZNYTVWKSV-MNOVXSKESA-N 2 2 226.320 0.385 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](CC3OCCO3)CC[C@@H]21 ZINC000879579980 590817406 /nfs/dbraw/zinc/81/74/06/590817406.db2.gz CQAAQZNYTVWKSV-MNOVXSKESA-N 2 2 226.320 0.385 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](CC3OCCO3)CC[C@@H]21 ZINC000879579980 590817407 /nfs/dbraw/zinc/81/74/07/590817407.db2.gz CQAAQZNYTVWKSV-MNOVXSKESA-N 2 2 226.320 0.385 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](CC3OCCO3)CC[C@@H]21 ZINC000879579980 590817408 /nfs/dbraw/zinc/81/74/08/590817408.db2.gz CQAAQZNYTVWKSV-MNOVXSKESA-N 2 2 226.320 0.385 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccnn1C ZINC000879687223 590848521 /nfs/dbraw/zinc/84/85/21/590848521.db2.gz PPTJYIBEZAMIQL-QWRGUYRKSA-N 2 2 240.351 0.383 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccnn1C ZINC000879687223 590848523 /nfs/dbraw/zinc/84/85/23/590848523.db2.gz PPTJYIBEZAMIQL-QWRGUYRKSA-N 2 2 240.351 0.383 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccnn1C ZINC000879687222 590848725 /nfs/dbraw/zinc/84/87/25/590848725.db2.gz PPTJYIBEZAMIQL-MNOVXSKESA-N 2 2 240.351 0.383 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccnn1C ZINC000879687222 590848727 /nfs/dbraw/zinc/84/87/27/590848727.db2.gz PPTJYIBEZAMIQL-MNOVXSKESA-N 2 2 240.351 0.383 20 0 BCADLP CN(C)C(=O)CC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880132932 590933999 /nfs/dbraw/zinc/93/39/99/590933999.db2.gz RDMGQQYBVDBKOD-RYUDHWBXSA-N 2 2 239.363 0.633 20 0 BCADLP CN(C)C(=O)CC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880132932 590933997 /nfs/dbraw/zinc/93/39/97/590933997.db2.gz RDMGQQYBVDBKOD-RYUDHWBXSA-N 2 2 239.363 0.633 20 0 BCADLP CN(C)C(=O)CC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880132932 590934000 /nfs/dbraw/zinc/93/40/00/590934000.db2.gz RDMGQQYBVDBKOD-RYUDHWBXSA-N 2 2 239.363 0.633 20 0 BCADLP CN(C)C(=O)CC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880132932 590934002 /nfs/dbraw/zinc/93/40/02/590934002.db2.gz RDMGQQYBVDBKOD-RYUDHWBXSA-N 2 2 239.363 0.633 20 0 BCADLP CC(=O)NCCC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880134520 590936264 /nfs/dbraw/zinc/93/62/64/590936264.db2.gz SUXRDERETIBXND-QWHCGFSZSA-N 2 2 239.363 0.681 20 0 BCADLP CC(=O)NCCC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880134520 590936266 /nfs/dbraw/zinc/93/62/66/590936266.db2.gz SUXRDERETIBXND-QWHCGFSZSA-N 2 2 239.363 0.681 20 0 BCADLP CC(=O)NCCC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880134520 590936269 /nfs/dbraw/zinc/93/62/69/590936269.db2.gz SUXRDERETIBXND-QWHCGFSZSA-N 2 2 239.363 0.681 20 0 BCADLP CC(=O)NCCC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880134520 590936272 /nfs/dbraw/zinc/93/62/72/590936272.db2.gz SUXRDERETIBXND-QWHCGFSZSA-N 2 2 239.363 0.681 20 0 BCADLP COC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880136166 590938021 /nfs/dbraw/zinc/93/80/21/590938021.db2.gz HFRVLBNTPYCYHT-QJPTWQEYSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880136166 590938023 /nfs/dbraw/zinc/93/80/23/590938023.db2.gz HFRVLBNTPYCYHT-QJPTWQEYSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@@H](O)C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880136166 590938024 /nfs/dbraw/zinc/93/80/24/590938024.db2.gz HFRVLBNTPYCYHT-QJPTWQEYSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@@H](O)C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880136166 590938025 /nfs/dbraw/zinc/93/80/25/590938025.db2.gz HFRVLBNTPYCYHT-QJPTWQEYSA-N 2 2 228.336 0.162 20 0 BCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H]1COCCO1 ZINC000880142825 590942740 /nfs/dbraw/zinc/94/27/40/590942740.db2.gz UYAWOIZZXWHAER-YNEHKIRRSA-N 2 2 240.347 0.570 20 0 BCADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H]1COCCO1 ZINC000880142825 590942745 /nfs/dbraw/zinc/94/27/45/590942745.db2.gz UYAWOIZZXWHAER-YNEHKIRRSA-N 2 2 240.347 0.570 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H]1COCCO1 ZINC000880142825 590942747 /nfs/dbraw/zinc/94/27/47/590942747.db2.gz UYAWOIZZXWHAER-YNEHKIRRSA-N 2 2 240.347 0.570 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@H]1COCCO1 ZINC000880142825 590942755 /nfs/dbraw/zinc/94/27/55/590942755.db2.gz UYAWOIZZXWHAER-YNEHKIRRSA-N 2 2 240.347 0.570 20 0 BCADLP CNC(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259255 590978987 /nfs/dbraw/zinc/97/89/87/590978987.db2.gz OMZCYDORUYFWSR-NSHDSACASA-N 2 2 248.330 0.338 20 0 BCADLP CNC(=O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259255 590978991 /nfs/dbraw/zinc/97/89/91/590978991.db2.gz OMZCYDORUYFWSR-NSHDSACASA-N 2 2 248.330 0.338 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000128360416 591005773 /nfs/dbraw/zinc/00/57/73/591005773.db2.gz VCQBHAIJSWOVHT-KKOKHZNYSA-N 2 2 242.363 0.502 20 0 BCADLP C[C@@H]1CC[C@H](CO)[N@@H+]1CCc1c[nH+]cn1C ZINC000880435319 591035807 /nfs/dbraw/zinc/03/58/07/591035807.db2.gz NSVDQOADHUWGKA-ZYHUDNBSSA-N 2 2 223.320 0.808 20 0 BCADLP C[C@@H]1CC[C@H](CO)[N@H+]1CCc1c[nH+]cn1C ZINC000880435319 591035811 /nfs/dbraw/zinc/03/58/11/591035811.db2.gz NSVDQOADHUWGKA-ZYHUDNBSSA-N 2 2 223.320 0.808 20 0 BCADLP C[C@@H]([NH3+])c1cn(Cc2ccc(N(C)C)[nH+]c2)nn1 ZINC000881381265 591197592 /nfs/dbraw/zinc/19/75/92/591197592.db2.gz USWKXOPENOWMTQ-SECBINFHSA-N 2 2 246.318 0.807 20 0 BCADLP Cc1[nH+]cnc(N2CCC([NH3+])(CO)CC2)c1C ZINC000881983868 591285753 /nfs/dbraw/zinc/28/57/53/591285753.db2.gz FETRKXOBFVOKIQ-UHFFFAOYSA-N 2 2 236.319 0.383 20 0 BCADLP Cc1[nH+]cnc(NC[C@]2(O)CC[N@@H+](C)C2)c1C ZINC000882191104 591314652 /nfs/dbraw/zinc/31/46/52/591314652.db2.gz WTVIPNXZPLXNAP-GFCCVEGCSA-N 2 2 236.319 0.572 20 0 BCADLP Cc1[nH+]cnc(NC[C@]2(O)CC[N@H+](C)C2)c1C ZINC000882191104 591314654 /nfs/dbraw/zinc/31/46/54/591314654.db2.gz WTVIPNXZPLXNAP-GFCCVEGCSA-N 2 2 236.319 0.572 20 0 BCADLP [NH3+][C@@H](CC(=O)NCc1c[nH+]c[nH]1)C1CC1 ZINC000129918821 591418353 /nfs/dbraw/zinc/41/83/53/591418353.db2.gz LAMCETCRPVSTOL-VIFPVBQESA-N 2 2 208.265 0.153 20 0 BCADLP [NH3+][C@@H](CC(=O)NCc1c[nH]c[nH+]1)C1CC1 ZINC000129918821 591418357 /nfs/dbraw/zinc/41/83/57/591418357.db2.gz LAMCETCRPVSTOL-VIFPVBQESA-N 2 2 208.265 0.153 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C[C@H]([NH3+])C1CC1 ZINC000129901845 591418702 /nfs/dbraw/zinc/41/87/02/591418702.db2.gz DBPGHGNFYRRDCZ-VIFPVBQESA-N 2 2 222.292 0.496 20 0 BCADLP C[N@H+](CCO[NH+]=C(N)CO)Cc1ccccc1 ZINC000883012431 591512088 /nfs/dbraw/zinc/51/20/88/591512088.db2.gz GFAZUYPYOPNUQE-UHFFFAOYSA-N 2 2 237.303 0.609 20 0 BCADLP C[N@@H+](CCO[NH+]=C(N)CO)Cc1ccccc1 ZINC000883012431 591512090 /nfs/dbraw/zinc/51/20/90/591512090.db2.gz GFAZUYPYOPNUQE-UHFFFAOYSA-N 2 2 237.303 0.609 20 0 BCADLP CON(C)CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000883170989 591560407 /nfs/dbraw/zinc/56/04/07/591560407.db2.gz LECRBKJILSSCIO-UHFFFAOYSA-N 2 2 224.308 0.412 20 0 BCADLP CO[C@H]1C[C@H](C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000883262943 591599865 /nfs/dbraw/zinc/59/98/65/591599865.db2.gz BDAOAZNDBLZTIA-KKOKHZNYSA-N 2 2 212.337 0.951 20 0 BCADLP CO[C@H]1C[C@H](C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000883262943 591599868 /nfs/dbraw/zinc/59/98/68/591599868.db2.gz BDAOAZNDBLZTIA-KKOKHZNYSA-N 2 2 212.337 0.951 20 0 BCADLP CC[N@@H+]1CC[C@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000883358948 591629260 /nfs/dbraw/zinc/62/92/60/591629260.db2.gz UQTWXCORRXBSQN-NSHDSACASA-N 2 2 221.304 0.971 20 0 BCADLP CC[N@H+]1CC[C@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000883358948 591629263 /nfs/dbraw/zinc/62/92/63/591629263.db2.gz UQTWXCORRXBSQN-NSHDSACASA-N 2 2 221.304 0.971 20 0 BCADLP CC[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000883358947 591629392 /nfs/dbraw/zinc/62/93/92/591629392.db2.gz UQTWXCORRXBSQN-LLVKDONJSA-N 2 2 221.304 0.971 20 0 BCADLP CC[N@H+]1CC[C@@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000883358947 591629395 /nfs/dbraw/zinc/62/93/95/591629395.db2.gz UQTWXCORRXBSQN-LLVKDONJSA-N 2 2 221.304 0.971 20 0 BCADLP [NH3+][C@H]1CC[N@H+](C[C@@H]2CCC3(CCOCC3)O2)C1 ZINC000883417331 591653339 /nfs/dbraw/zinc/65/33/39/591653339.db2.gz WYUGCVGNEAMZMR-RYUDHWBXSA-N 2 2 240.347 0.748 20 0 BCADLP [NH3+][C@H]1CC[N@@H+](C[C@@H]2CCC3(CCOCC3)O2)C1 ZINC000883417331 591653341 /nfs/dbraw/zinc/65/33/41/591653341.db2.gz WYUGCVGNEAMZMR-RYUDHWBXSA-N 2 2 240.347 0.748 20 0 BCADLP [NH3+]CC[N@H+](CCO)C[C@H]1CCC2(CCC2)O1 ZINC000883424889 591659096 /nfs/dbraw/zinc/65/90/96/591659096.db2.gz GJSBSJPUFGPGRO-LLVKDONJSA-N 2 2 228.336 0.341 20 0 BCADLP [NH3+]CC[N@@H+](CCO)C[C@H]1CCC2(CCC2)O1 ZINC000883424889 591659098 /nfs/dbraw/zinc/65/90/98/591659098.db2.gz GJSBSJPUFGPGRO-LLVKDONJSA-N 2 2 228.336 0.341 20 0 BCADLP Cc1nonc1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000883441061 591668320 /nfs/dbraw/zinc/66/83/20/591668320.db2.gz GQQFXNDRZUEIJS-BDAKNGLRSA-N 2 2 210.281 0.593 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCC[S@](C)=O)CC[N@@H+]1C ZINC000133881319 591866676 /nfs/dbraw/zinc/86/66/76/591866676.db2.gz OFGVQYIYCOQWNW-UEKVPHQBSA-N 2 2 232.393 0.827 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCC[S@](C)=O)CC[N@H+]1C ZINC000133881319 591866682 /nfs/dbraw/zinc/86/66/82/591866682.db2.gz OFGVQYIYCOQWNW-UEKVPHQBSA-N 2 2 232.393 0.827 20 0 BCADLP CCC(O)(CC)C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000134043999 591877323 /nfs/dbraw/zinc/87/73/23/591877323.db2.gz HANNJVXRHKTKIC-NWDGAFQWSA-N 2 2 244.379 0.894 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000884365323 591917252 /nfs/dbraw/zinc/91/72/52/591917252.db2.gz HQSVIGGILRBWTL-OYBPUVFXSA-N 2 2 248.330 0.755 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000884365323 591917255 /nfs/dbraw/zinc/91/72/55/591917255.db2.gz HQSVIGGILRBWTL-OYBPUVFXSA-N 2 2 248.330 0.755 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H](C[NH3+])OC ZINC000884412346 591928291 /nfs/dbraw/zinc/92/82/91/591928291.db2.gz OILJUQSYVFWUBD-IUCAKERBSA-N 2 2 240.307 0.054 20 0 BCADLP Cc1cn(C(C)(C)C(=O)N(C)C[C@H](C)[NH3+])c[nH+]1 ZINC000884445494 591934568 /nfs/dbraw/zinc/93/45/68/591934568.db2.gz OTAWGTQKRINSRT-VIFPVBQESA-N 2 2 238.335 0.732 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H](CO)C[C@@H]1CCCO1 ZINC000886225674 592180240 /nfs/dbraw/zinc/18/02/40/592180240.db2.gz APDYEFXAZVZSCL-VOAKCMCISA-N 2 2 242.363 0.456 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H](CO)C[C@@H]1CCCO1 ZINC000886225674 592180241 /nfs/dbraw/zinc/18/02/41/592180241.db2.gz APDYEFXAZVZSCL-VOAKCMCISA-N 2 2 242.363 0.456 20 0 BCADLP Cc1cn[nH]c1C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000886829848 592351636 /nfs/dbraw/zinc/35/16/36/592351636.db2.gz IAQPEKLAXIUGBR-NSHDSACASA-N 2 2 208.309 0.935 20 0 BCADLP Cc1c[nH]nc1C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000886829848 592351641 /nfs/dbraw/zinc/35/16/41/592351641.db2.gz IAQPEKLAXIUGBR-NSHDSACASA-N 2 2 208.309 0.935 20 0 BCADLP [NH3+]CC[N@H+](CCO)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886832710 592354843 /nfs/dbraw/zinc/35/48/43/592354843.db2.gz LWCDBTFFOJQEFR-NEPJUHHUSA-N 2 2 228.336 0.197 20 0 BCADLP [NH3+]CC[N@@H+](CCO)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886832710 592354845 /nfs/dbraw/zinc/35/48/45/592354845.db2.gz LWCDBTFFOJQEFR-NEPJUHHUSA-N 2 2 228.336 0.197 20 0 BCADLP CC[N@H+](C[C@H]1CCc2ncnn21)[C@@H]1CC[NH2+]C1 ZINC000886846666 592363198 /nfs/dbraw/zinc/36/31/98/592363198.db2.gz JIDXGCJXIHINMU-GHMZBOCLSA-N 2 2 235.335 0.449 20 0 BCADLP CC[N@@H+](C[C@H]1CCc2ncnn21)[C@@H]1CC[NH2+]C1 ZINC000886846666 592363204 /nfs/dbraw/zinc/36/32/04/592363204.db2.gz JIDXGCJXIHINMU-GHMZBOCLSA-N 2 2 235.335 0.449 20 0 BCADLP c1nnn2c1C[N@H+](C[C@H]1CC[NH2+]C1)CCC2 ZINC000886857858 592369163 /nfs/dbraw/zinc/36/91/63/592369163.db2.gz CUHVAHOTRAHXFS-JTQLQIEISA-N 2 2 221.308 0.093 20 0 BCADLP c1nnn2c1C[N@@H+](C[C@H]1CC[NH2+]C1)CCC2 ZINC000886857858 592369169 /nfs/dbraw/zinc/36/91/69/592369169.db2.gz CUHVAHOTRAHXFS-JTQLQIEISA-N 2 2 221.308 0.093 20 0 BCADLP CC[S@](=O)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223449861 592532535 /nfs/dbraw/zinc/53/25/35/592532535.db2.gz UKXVJSDXPFSRNC-PGUXBMHVSA-N 2 2 232.393 0.827 20 0 BCADLP CC[S@](=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223449861 592532536 /nfs/dbraw/zinc/53/25/36/592532536.db2.gz UKXVJSDXPFSRNC-PGUXBMHVSA-N 2 2 232.393 0.827 20 0 BCADLP CC[N@H+](CC(=O)NCc1cn(C)c[nH+]1)C1CC1 ZINC000890110786 592684300 /nfs/dbraw/zinc/68/43/00/592684300.db2.gz UYACPGKLMYRVTM-UHFFFAOYSA-N 2 2 236.319 0.521 20 0 BCADLP CC[N@@H+](CC(=O)NCc1cn(C)c[nH+]1)C1CC1 ZINC000890110786 592684303 /nfs/dbraw/zinc/68/43/03/592684303.db2.gz UYACPGKLMYRVTM-UHFFFAOYSA-N 2 2 236.319 0.521 20 0 BCADLP CC(C)[N@H+](C)CC(=O)NCc1cn(C)c[nH+]1 ZINC000890114544 592685670 /nfs/dbraw/zinc/68/56/70/592685670.db2.gz OTOTUADUTQDLAT-UHFFFAOYSA-N 2 2 224.308 0.377 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)NCc1cn(C)c[nH+]1 ZINC000890114544 592685673 /nfs/dbraw/zinc/68/56/73/592685673.db2.gz OTOTUADUTQDLAT-UHFFFAOYSA-N 2 2 224.308 0.377 20 0 BCADLP CC[C@@H]1C[N@H+](Cc2nonc2C)CC[C@@H]1[NH3+] ZINC000122861033 592713079 /nfs/dbraw/zinc/71/30/79/592713079.db2.gz XTZSOOAAHVAUQD-ZJUUUORDSA-N 2 2 224.308 0.937 20 0 BCADLP CC[C@@H]1C[N@@H+](Cc2nonc2C)CC[C@@H]1[NH3+] ZINC000122861033 592713085 /nfs/dbraw/zinc/71/30/85/592713085.db2.gz XTZSOOAAHVAUQD-ZJUUUORDSA-N 2 2 224.308 0.937 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000925704277 634384342 /nfs/dbraw/zinc/38/43/42/634384342.db2.gz FOTQKLAUKGUEAJ-ZJUUUORDSA-N 3 2 247.333 0.961 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCNCC1(F)F ZINC000925704277 634384349 /nfs/dbraw/zinc/38/43/49/634384349.db2.gz FOTQKLAUKGUEAJ-ZJUUUORDSA-N 2 2 247.333 0.961 20 0 BCADLP C(C[NH2+][C@H]1C[NH2+]CCOC1)C[C@H]1CCC[NH2+]1 ZINC000925705161 634385795 /nfs/dbraw/zinc/38/57/95/634385795.db2.gz IBNNACODVYJZOG-NEPJUHHUSA-N 3 2 227.352 0.097 20 0 BCADLP C(C[NH2+][C@@H]1C[NH2+]CCOC1)C[C@H]1CCC[NH2+]1 ZINC000925705164 634387062 /nfs/dbraw/zinc/38/70/62/634387062.db2.gz IBNNACODVYJZOG-VXGBXAGGSA-N 3 2 227.352 0.097 20 0 BCADLP O=C1CC[C@H]2C[N@H+](C[C@H]3CCC[NH2+]3)CC[C@H]2N1 ZINC000299933218 634402290 /nfs/dbraw/zinc/40/22/90/634402290.db2.gz CUYFTCIGONGRPQ-QJPTWQEYSA-N 2 2 237.347 0.339 20 0 BCADLP O=C1CC[C@H]2C[N@@H+](C[C@H]3CCC[NH2+]3)CC[C@H]2N1 ZINC000299933218 634402293 /nfs/dbraw/zinc/40/22/93/634402293.db2.gz CUYFTCIGONGRPQ-QJPTWQEYSA-N 2 2 237.347 0.339 20 0 BCADLP CC1(C)CO[C@H](CC[NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925775454 635249657 /nfs/dbraw/zinc/24/96/57/635249657.db2.gz QLLZZXINEZXTBO-NWDGAFQWSA-N 2 2 242.363 0.770 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000225445318 635407751 /nfs/dbraw/zinc/40/77/51/635407751.db2.gz AGZOSUWAGXSBJE-RKDXNWHRSA-N 2 2 240.269 0.841 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000225445318 635407771 /nfs/dbraw/zinc/40/77/71/635407771.db2.gz AGZOSUWAGXSBJE-RKDXNWHRSA-N 2 2 240.269 0.841 20 0 BCADLP CN(CC[NH+]1CCOCC1)C[C@H]1CCC[NH2+]1 ZINC000234270142 635551783 /nfs/dbraw/zinc/55/17/83/635551783.db2.gz LRIQQFUJEMHDIJ-GFCCVEGCSA-N 2 2 227.352 0.002 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000155887670 632118728 /nfs/dbraw/zinc/11/87/28/632118728.db2.gz UPGQKKHIQHKMPX-NEPJUHHUSA-N 2 2 241.379 0.927 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000155887670 632118732 /nfs/dbraw/zinc/11/87/32/632118732.db2.gz UPGQKKHIQHKMPX-NEPJUHHUSA-N 2 2 241.379 0.927 20 0 BCADLP CC[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972617433 632533744 /nfs/dbraw/zinc/53/37/44/632533744.db2.gz CHYWDBMPIQDVHL-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972617433 632533752 /nfs/dbraw/zinc/53/37/52/632533752.db2.gz CHYWDBMPIQDVHL-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP CCS(=O)(=O)CC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000309461984 633096959 /nfs/dbraw/zinc/09/69/59/633096959.db2.gz PAOVUQQZPBDRGZ-SNVBAGLBSA-N 2 2 236.381 0.384 20 0 BCADLP C[C@H]1[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000928445455 635948996 /nfs/dbraw/zinc/94/89/96/635948996.db2.gz YLSCNTZACWUHPU-VHSXEESVSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@H]1[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000928445455 635948998 /nfs/dbraw/zinc/94/89/98/635948998.db2.gz YLSCNTZACWUHPU-VHSXEESVSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+]1C)n1cc[nH+]c1 ZINC000928552736 636086644 /nfs/dbraw/zinc/08/66/44/636086644.db2.gz LAGWVALJNZFDJD-QWRGUYRKSA-N 2 2 236.319 0.655 20 0 BCADLP C[C@@H](CC(=O)NC[C@@H]1CC[N@H+]1C)n1cc[nH+]c1 ZINC000928552736 636086647 /nfs/dbraw/zinc/08/66/47/636086647.db2.gz LAGWVALJNZFDJD-QWRGUYRKSA-N 2 2 236.319 0.655 20 0 BCADLP C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000928555264 636092565 /nfs/dbraw/zinc/09/25/65/636092565.db2.gz MNQROLWCTGRGHW-QWRGUYRKSA-N 2 2 248.330 0.266 20 0 BCADLP C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000928555264 636092569 /nfs/dbraw/zinc/09/25/69/636092569.db2.gz MNQROLWCTGRGHW-QWRGUYRKSA-N 2 2 248.330 0.266 20 0 BCADLP C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000928555267 636092838 /nfs/dbraw/zinc/09/28/38/636092838.db2.gz MNQROLWCTGRGHW-WDEREUQCSA-N 2 2 248.330 0.266 20 0 BCADLP C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000928555267 636092842 /nfs/dbraw/zinc/09/28/42/636092842.db2.gz MNQROLWCTGRGHW-WDEREUQCSA-N 2 2 248.330 0.266 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000309377090 633904416 /nfs/dbraw/zinc/90/44/16/633904416.db2.gz RATXVDXFFHBJJG-GARJFASQSA-N 2 2 226.320 0.431 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000309377090 633904419 /nfs/dbraw/zinc/90/44/19/633904419.db2.gz RATXVDXFFHBJJG-GARJFASQSA-N 2 2 226.320 0.431 20 0 BCADLP COC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000309377090 633904421 /nfs/dbraw/zinc/90/44/21/633904421.db2.gz RATXVDXFFHBJJG-GARJFASQSA-N 2 2 226.320 0.431 20 0 BCADLP COC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000309377090 633904423 /nfs/dbraw/zinc/90/44/23/633904423.db2.gz RATXVDXFFHBJJG-GARJFASQSA-N 2 2 226.320 0.431 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925533843 633929253 /nfs/dbraw/zinc/92/92/53/633929253.db2.gz HIARMJOMXITSIW-LLVKDONJSA-N 3 2 222.336 0.922 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925533844 633929607 /nfs/dbraw/zinc/92/96/07/633929607.db2.gz HIARMJOMXITSIW-NSHDSACASA-N 3 2 222.336 0.922 20 0 BCADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCn3ncnc32)C12CCC2 ZINC000925542697 633965166 /nfs/dbraw/zinc/96/51/66/633965166.db2.gz QSCHKIQSKBAYBA-MXWKQRLJSA-N 2 2 247.346 0.973 20 0 BCADLP C[C@H]1COCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309982502 634025484 /nfs/dbraw/zinc/02/54/84/634025484.db2.gz BWBNESQQSGYCSK-OLZOCXBDSA-N 2 2 242.363 0.411 20 0 BCADLP C[C@H]1COCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309982502 634025487 /nfs/dbraw/zinc/02/54/87/634025487.db2.gz BWBNESQQSGYCSK-OLZOCXBDSA-N 2 2 242.363 0.411 20 0 BCADLP OCCC[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000309982875 634026882 /nfs/dbraw/zinc/02/68/82/634026882.db2.gz BRIIQUXDJLHKBF-CYBMUJFWSA-N 2 2 242.363 0.290 20 0 BCADLP OCCC[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000309982875 634026887 /nfs/dbraw/zinc/02/68/87/634026887.db2.gz BRIIQUXDJLHKBF-CYBMUJFWSA-N 2 2 242.363 0.290 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925607171 634137954 /nfs/dbraw/zinc/13/79/54/634137954.db2.gz AGJFSFKJSVRZBM-IJLUTSLNSA-N 3 2 243.395 0.405 20 0 BCADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCOCCO)c1ccccc1 ZINC000925609481 634146975 /nfs/dbraw/zinc/14/69/75/634146975.db2.gz BPJVXXYJGMOKTB-DGCLKSJQSA-N 2 2 238.331 0.673 20 0 BCADLP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925621199 634180717 /nfs/dbraw/zinc/18/07/17/634180717.db2.gz CXSOIUVBSFXBKT-TUAOUCFPSA-N 2 2 230.352 0.362 20 0 BCADLP C[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925676482 634265110 /nfs/dbraw/zinc/26/51/10/634265110.db2.gz MPSWVEDHTOXAME-IJLUTSLNSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@@H](O)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925676482 634265112 /nfs/dbraw/zinc/26/51/12/634265112.db2.gz MPSWVEDHTOXAME-IJLUTSLNSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@@H](O)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925676484 634266102 /nfs/dbraw/zinc/26/61/02/634266102.db2.gz MPSWVEDHTOXAME-WOPDTQHZSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@@H](O)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925676484 634266104 /nfs/dbraw/zinc/26/61/04/634266104.db2.gz MPSWVEDHTOXAME-WOPDTQHZSA-N 2 2 212.337 0.974 20 0 BCADLP Cn1nccc1[C@H](O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925891363 635618042 /nfs/dbraw/zinc/61/80/42/635618042.db2.gz VDMNXTWENKBZIL-MNOVXSKESA-N 2 2 238.335 0.184 20 0 BCADLP CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000989493156 636859220 /nfs/dbraw/zinc/85/92/20/636859220.db2.gz RNGWNUMKFPLDLH-KOLCDFICSA-N 2 2 236.319 0.551 20 0 BCADLP CCOC[C@H](C)[NH2+]C[C@@H](C[NH+](C)C)OCC ZINC000926959332 636970667 /nfs/dbraw/zinc/97/06/67/636970667.db2.gz AXSBXXVYXDPSCO-RYUDHWBXSA-N 2 2 232.368 0.968 20 0 BCADLP CCOC[C@@H](C)[NH2+]C[C@@H](C[NH+](C)C)OCC ZINC000926959326 636970788 /nfs/dbraw/zinc/97/07/88/636970788.db2.gz AXSBXXVYXDPSCO-NEPJUHHUSA-N 2 2 232.368 0.968 20 0 BCADLP C[C@@]1(C[NH2+]Cc2cnc(N)cn2)CCC[NH2+]C1 ZINC000873211879 636981225 /nfs/dbraw/zinc/98/12/25/636981225.db2.gz FXLXORUMGDMOSR-GFCCVEGCSA-N 2 2 235.335 0.538 20 0 BCADLP CC1(C)C[N@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1[NH3+] ZINC000903559761 637368588 /nfs/dbraw/zinc/36/85/88/637368588.db2.gz GKCQDLZTBAOKKO-UWVGGRQHSA-N 2 2 235.335 0.435 20 0 BCADLP CC1(C)C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1[NH3+] ZINC000903559761 637368593 /nfs/dbraw/zinc/36/85/93/637368593.db2.gz GKCQDLZTBAOKKO-UWVGGRQHSA-N 2 2 235.335 0.435 20 0 BCADLP CC1(C)C[NH2+]C[C@H]1[NH2+]CC1=CCCOC1 ZINC000904462648 637405845 /nfs/dbraw/zinc/40/58/45/637405845.db2.gz YAXWPFXMIMXKCR-LLVKDONJSA-N 2 2 210.321 0.921 20 0 BCADLP C[C@](O)(C[NH2+][C@@H]1CCn2cc[nH+]c2C1)C(F)F ZINC000905216819 637699229 /nfs/dbraw/zinc/69/92/29/637699229.db2.gz HTBYSZILVSWOIY-KCJUWKMLSA-N 2 2 245.273 0.804 20 0 BCADLP CCC[N@H+](C)Cc1nc(C2([NH3+])CC2)no1 ZINC000905322348 637746123 /nfs/dbraw/zinc/74/61/23/637746123.db2.gz RZVPQMSOXRWMDD-UHFFFAOYSA-N 2 2 210.281 0.859 20 0 BCADLP CCC[N@@H+](C)Cc1nc(C2([NH3+])CC2)no1 ZINC000905322348 637746131 /nfs/dbraw/zinc/74/61/31/637746131.db2.gz RZVPQMSOXRWMDD-UHFFFAOYSA-N 2 2 210.281 0.859 20 0 BCADLP C[C@@H](Nc1cc(N(C)C)[nH+]cn1)[C@H](C)[NH3+] ZINC000905636849 637867457 /nfs/dbraw/zinc/86/74/57/637867457.db2.gz DOYVCKKNPJUYAG-JGVFFNPUSA-N 2 2 209.297 0.690 20 0 BCADLP CN(C)c1cc(N2CC[C@@H](F)[C@H]([NH3+])C2)nc[nH+]1 ZINC000905640626 637880448 /nfs/dbraw/zinc/88/04/48/637880448.db2.gz WWLPSAHGRYZPOQ-RKDXNWHRSA-N 2 2 239.298 0.418 20 0 BCADLP CC1(C)CC[N@H+](CC[NH2+]CCC(N)=O)C1 ZINC000905677029 637886436 /nfs/dbraw/zinc/88/64/36/637886436.db2.gz AEFJQWXVMDGRGE-UHFFFAOYSA-N 2 2 213.325 0.183 20 0 BCADLP CC1(C)CC[N@@H+](CC[NH2+]CCC(N)=O)C1 ZINC000905677029 637886438 /nfs/dbraw/zinc/88/64/38/637886438.db2.gz AEFJQWXVMDGRGE-UHFFFAOYSA-N 2 2 213.325 0.183 20 0 BCADLP CN(C)c1cc(N(C)[C@@H](C[NH3+])C2CC2)nc[nH+]1 ZINC000906095257 638052691 /nfs/dbraw/zinc/05/26/91/638052691.db2.gz WJCOKHHMJYNKHG-JTQLQIEISA-N 2 2 235.335 0.716 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000906095816 638052905 /nfs/dbraw/zinc/05/29/05/638052905.db2.gz ZLPYKNNXBSETET-YUMQZZPRSA-N 2 2 237.307 0.749 20 0 BCADLP COc1c(N)nc[nH+]c1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000906095816 638052917 /nfs/dbraw/zinc/05/29/17/638052917.db2.gz ZLPYKNNXBSETET-YUMQZZPRSA-N 2 2 237.307 0.749 20 0 BCADLP COC(=O)c1cc(C[NH2+]C2CC([NH3+])C2)oc1C ZINC000906510729 638183999 /nfs/dbraw/zinc/18/39/99/638183999.db2.gz SSOWSQDUYQXLCZ-UHFFFAOYSA-N 2 2 238.287 0.954 20 0 BCADLP [NH3+]C1CC([NH2+]Cc2nccn2C2CC2)C1 ZINC000906511473 638185450 /nfs/dbraw/zinc/18/54/50/638185450.db2.gz VRXUYBLLALZRET-UHFFFAOYSA-N 2 2 206.293 0.797 20 0 BCADLP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1=CC[N@H+](C)CC1 ZINC000907282225 638341706 /nfs/dbraw/zinc/34/17/06/638341706.db2.gz NCRMLRHWJOZVIF-JTQLQIEISA-N 2 2 248.330 0.719 20 0 BCADLP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1=CC[N@@H+](C)CC1 ZINC000907282225 638341714 /nfs/dbraw/zinc/34/17/14/638341714.db2.gz NCRMLRHWJOZVIF-JTQLQIEISA-N 2 2 248.330 0.719 20 0 BCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000908364105 638670159 /nfs/dbraw/zinc/67/01/59/638670159.db2.gz WNWPTJGLINXSCR-CYBMUJFWSA-N 2 2 248.330 0.506 20 0 BCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000908364105 638670160 /nfs/dbraw/zinc/67/01/60/638670160.db2.gz WNWPTJGLINXSCR-CYBMUJFWSA-N 2 2 248.330 0.506 20 0 BCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911620058 639683098 /nfs/dbraw/zinc/68/30/98/639683098.db2.gz PAKMFVOTARARCR-ZJUUUORDSA-N 2 2 236.319 0.538 20 0 BCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911620058 639683104 /nfs/dbraw/zinc/68/31/04/639683104.db2.gz PAKMFVOTARARCR-ZJUUUORDSA-N 2 2 236.319 0.538 20 0 BCADLP [NH3+][C@@H](CC(=O)NCC1CC[NH2+]CC1)C(F)F ZINC000911672794 639698476 /nfs/dbraw/zinc/69/84/76/639698476.db2.gz NMVYNLVUAHFYCQ-QMMMGPOBSA-N 2 2 235.278 0.085 20 0 BCADLP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000911652824 639710215 /nfs/dbraw/zinc/71/02/15/639710215.db2.gz ZWJDDZJGKDQABH-NXEZZACHSA-N 2 2 234.303 0.005 20 0 BCADLP CC[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000911687160 639723015 /nfs/dbraw/zinc/72/30/15/639723015.db2.gz DFCFZMUDVPDAHM-JTQLQIEISA-N 2 2 238.335 0.704 20 0 BCADLP CC[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000911687160 639723036 /nfs/dbraw/zinc/72/30/36/639723036.db2.gz DFCFZMUDVPDAHM-JTQLQIEISA-N 2 2 238.335 0.704 20 0 BCADLP CC[NH2+]CCCNC(=O)C[C@H]([NH3+])C(F)F ZINC000911688581 639728536 /nfs/dbraw/zinc/72/85/36/639728536.db2.gz RDOSGFJUEKNHNK-ZETCQYMHSA-N 2 2 223.267 0.085 20 0 BCADLP O=C(N[C@@H]1CC[NH2+]C1)c1cc2c[nH+]ccc2[nH]1 ZINC000911697358 639731097 /nfs/dbraw/zinc/73/10/97/639731097.db2.gz AJEDGVCWFISYRY-SECBINFHSA-N 2 2 230.271 0.655 20 0 BCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911673329 639734865 /nfs/dbraw/zinc/73/48/65/639734865.db2.gz LNLMZAXIXFTUOK-NXEZZACHSA-N 2 2 236.319 0.457 20 0 BCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911673329 639734872 /nfs/dbraw/zinc/73/48/72/639734872.db2.gz LNLMZAXIXFTUOK-NXEZZACHSA-N 2 2 236.319 0.457 20 0 BCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCC[NH2+]C1 ZINC000911718151 639743646 /nfs/dbraw/zinc/74/36/46/639743646.db2.gz IGHVVEKLYZALPE-ZJUUUORDSA-N 2 2 236.319 0.457 20 0 BCADLP [NH3+][C@H](CC(=O)NC[C@H]1CCC[NH2+]C1)C(F)F ZINC000911706155 639761010 /nfs/dbraw/zinc/76/10/10/639761010.db2.gz FABYPEIKYIRCOL-JGVFFNPUSA-N 2 2 235.278 0.085 20 0 BCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@H](C)[NH3+] ZINC000911739741 639767293 /nfs/dbraw/zinc/76/72/93/639767293.db2.gz CQIVUQVRNWAMTJ-BDAKNGLRSA-N 2 2 224.308 0.442 20 0 BCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@H](C)[NH3+] ZINC000911739741 639767300 /nfs/dbraw/zinc/76/73/00/639767300.db2.gz CQIVUQVRNWAMTJ-BDAKNGLRSA-N 2 2 224.308 0.442 20 0 BCADLP C[NH2+]CC1CCN(C(=O)C[C@@H]([NH3+])C(F)F)CC1 ZINC000911778268 639797924 /nfs/dbraw/zinc/79/79/24/639797924.db2.gz PFISSHJROAULNW-SECBINFHSA-N 2 2 249.305 0.427 20 0 BCADLP C[C@@H](C[NH3+])N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000911814352 639803836 /nfs/dbraw/zinc/80/38/36/639803836.db2.gz RPSGRBZKMIPKBL-QMMMGPOBSA-N 2 2 232.287 0.982 20 0 BCADLP C[C@@H]1CN(C(=O)C[C@@H]([NH3+])C(F)F)C[C@@H](C)[NH2+]1 ZINC000911798655 639820396 /nfs/dbraw/zinc/82/03/96/639820396.db2.gz VUVHINKQYNPLOK-BWZBUEFSSA-N 2 2 235.278 0.178 20 0 BCADLP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911812355 639834400 /nfs/dbraw/zinc/83/44/00/639834400.db2.gz YDUXQPJINVGVAV-NXEZZACHSA-N 2 2 236.319 0.251 20 0 BCADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[NH2+]1 ZINC000911812707 639834980 /nfs/dbraw/zinc/83/49/80/639834980.db2.gz USXJRLLBNHQGJG-SECBINFHSA-N 2 2 244.298 0.997 20 0 BCADLP CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@H]([NH3+])C(F)F ZINC000911832968 639843983 /nfs/dbraw/zinc/84/39/83/639843983.db2.gz QKJAQBCHTAVPQB-OIBJUYFYSA-N 2 2 237.294 0.459 20 0 BCADLP CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@@H]([NH3+])C(F)F ZINC000911832966 639844393 /nfs/dbraw/zinc/84/43/93/639844393.db2.gz QKJAQBCHTAVPQB-GMSGAONNSA-N 2 2 237.294 0.459 20 0 BCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000911835235 639846962 /nfs/dbraw/zinc/84/69/62/639846962.db2.gz SMMYDQCFTBAOJW-LDYMZIIASA-N 2 2 236.319 0.442 20 0 BCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000911835235 639846963 /nfs/dbraw/zinc/84/69/63/639846963.db2.gz SMMYDQCFTBAOJW-LDYMZIIASA-N 2 2 236.319 0.442 20 0 BCADLP CC(C)C[C@@H](C[NH3+])NC(=O)C[C@H]([NH3+])C(F)F ZINC000911817514 639850838 /nfs/dbraw/zinc/85/08/38/639850838.db2.gz DTWQPDGWUWDHPA-YUMQZZPRSA-N 2 2 237.294 0.459 20 0 BCADLP CN(C(=O)C[C@@H]([NH3+])C(F)F)C1CCC([NH3+])CC1 ZINC000911865020 639851804 /nfs/dbraw/zinc/85/18/04/639851804.db2.gz PSKBCPQTWDWYBD-AMDVSUOASA-N 2 2 249.305 0.697 20 0 BCADLP [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911847088 639855867 /nfs/dbraw/zinc/85/58/67/639855867.db2.gz UZFPVKGJDSKCJO-GHMZBOCLSA-N 2 2 248.330 0.395 20 0 BCADLP CCCC[C@@H](C[NH3+])NC(=O)C[C@@H]([NH3+])C(F)F ZINC000911880255 639866253 /nfs/dbraw/zinc/86/62/53/639866253.db2.gz LEHHRBCCMZEYOZ-JGVFFNPUSA-N 2 2 237.294 0.603 20 0 BCADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1CCn1cc[nH+]c1 ZINC000931040558 640035559 /nfs/dbraw/zinc/03/55/59/640035559.db2.gz FDBQMDAAFMNNOF-NEPJUHHUSA-N 2 2 222.336 0.908 20 0 BCADLP C[C@H]1[C@H]([NH+](C)C)CCN1Cc1c[nH+]cn1C ZINC000931046877 640041199 /nfs/dbraw/zinc/04/11/99/640041199.db2.gz WUGIZECMADPXBB-CMPLNLGQSA-N 2 2 222.336 0.945 20 0 BCADLP C[C@@]1(NC(=O)Cn2cc[nH+]c2)C[NH+]2CCC1CC2 ZINC000912375457 640046829 /nfs/dbraw/zinc/04/68/29/640046829.db2.gz WLQPDORSNNFEEH-CYBMUJFWSA-N 2 2 248.330 0.484 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@](C)(O)C(F)F)C[C@H]21 ZINC000931275834 640125448 /nfs/dbraw/zinc/12/54/48/640125448.db2.gz ALNZMQLSGBQURB-SJQPAMGKSA-N 2 2 234.290 0.494 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@](C)(O)C(F)F)C[C@H]21 ZINC000931275834 640125455 /nfs/dbraw/zinc/12/54/55/640125455.db2.gz ALNZMQLSGBQURB-SJQPAMGKSA-N 2 2 234.290 0.494 20 0 BCADLP C[N@@H+]1C[C@]2(C)C[NH+]([C@@H]3CCNC3=O)C[C@]2(C)C1 ZINC000931310749 640146298 /nfs/dbraw/zinc/14/62/98/640146298.db2.gz MUEYSTZJWCWKBG-RTXFEEFZSA-N 2 2 237.347 0.149 20 0 BCADLP C[N@H+]1C[C@]2(C)C[NH+]([C@@H]3CCNC3=O)C[C@]2(C)C1 ZINC000931310749 640146309 /nfs/dbraw/zinc/14/63/09/640146309.db2.gz MUEYSTZJWCWKBG-RTXFEEFZSA-N 2 2 237.347 0.149 20 0 BCADLP C[NH+]1C[C@]2(C)C[N@@H+]([C@@H]3CCNC3=O)C[C@]2(C)C1 ZINC000931310749 640146317 /nfs/dbraw/zinc/14/63/17/640146317.db2.gz MUEYSTZJWCWKBG-RTXFEEFZSA-N 2 2 237.347 0.149 20 0 BCADLP C[NH+]1C[C@]2(C)C[N@H+]([C@@H]3CCNC3=O)C[C@]2(C)C1 ZINC000931310749 640146328 /nfs/dbraw/zinc/14/63/28/640146328.db2.gz MUEYSTZJWCWKBG-RTXFEEFZSA-N 2 2 237.347 0.149 20 0 BCADLP C[NH+](C)C1(C)CC[NH+](CCn2cnnn2)CC1 ZINC000931354519 640167615 /nfs/dbraw/zinc/16/76/15/640167615.db2.gz LHKGGDAWDPIERK-UHFFFAOYSA-N 2 2 238.339 0.089 20 0 BCADLP Cn1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)nn1 ZINC000931440219 640207240 /nfs/dbraw/zinc/20/72/40/640207240.db2.gz RMTCIHXAWLLJSR-MNOVXSKESA-N 2 2 235.335 0.199 20 0 BCADLP Cn1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)nn1 ZINC000931440219 640207246 /nfs/dbraw/zinc/20/72/46/640207246.db2.gz RMTCIHXAWLLJSR-MNOVXSKESA-N 2 2 235.335 0.199 20 0 BCADLP Cn1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)nn1 ZINC000931440219 640207250 /nfs/dbraw/zinc/20/72/50/640207250.db2.gz RMTCIHXAWLLJSR-MNOVXSKESA-N 2 2 235.335 0.199 20 0 BCADLP Cn1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)nn1 ZINC000931440219 640207255 /nfs/dbraw/zinc/20/72/55/640207255.db2.gz RMTCIHXAWLLJSR-MNOVXSKESA-N 2 2 235.335 0.199 20 0 BCADLP CCn1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)nn1 ZINC000931442686 640208118 /nfs/dbraw/zinc/20/81/18/640208118.db2.gz LUHSHGDRZMNOKR-NWDGAFQWSA-N 2 2 249.362 0.682 20 0 BCADLP CCn1cc(C[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)nn1 ZINC000931442686 640208119 /nfs/dbraw/zinc/20/81/19/640208119.db2.gz LUHSHGDRZMNOKR-NWDGAFQWSA-N 2 2 249.362 0.682 20 0 BCADLP CCn1cc(C[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)nn1 ZINC000931442686 640208121 /nfs/dbraw/zinc/20/81/21/640208121.db2.gz LUHSHGDRZMNOKR-NWDGAFQWSA-N 2 2 249.362 0.682 20 0 BCADLP CCn1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)nn1 ZINC000931442686 640208122 /nfs/dbraw/zinc/20/81/22/640208122.db2.gz LUHSHGDRZMNOKR-NWDGAFQWSA-N 2 2 249.362 0.682 20 0 BCADLP CC1([NH+]2CCCC2)CC[NH+](C[C@H](O)CO)CC1 ZINC000931466684 640226416 /nfs/dbraw/zinc/22/64/16/640226416.db2.gz XKYGLDSKZQCERP-LBPRGKRZSA-N 2 2 242.363 0.290 20 0 BCADLP C[C@H](CO)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931514583 640242877 /nfs/dbraw/zinc/24/28/77/640242877.db2.gz BYUIHYNUEGZBMU-VIFPVBQESA-N 2 2 221.304 0.650 20 0 BCADLP C[C@H](CO)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931514583 640242883 /nfs/dbraw/zinc/24/28/83/640242883.db2.gz BYUIHYNUEGZBMU-VIFPVBQESA-N 2 2 221.304 0.650 20 0 BCADLP c1cn(CCCN2CCn3cc[nH+]c32)c[nH+]1 ZINC000931522976 640255966 /nfs/dbraw/zinc/25/59/66/640255966.db2.gz UJTGELUXBWIOIU-UHFFFAOYSA-N 2 2 217.276 0.990 20 0 BCADLP COC[C@H](C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2)OC ZINC000931717720 640335222 /nfs/dbraw/zinc/33/52/22/640335222.db2.gz BFOSAYNTGRCWSC-AGIUHOORSA-N 2 2 242.363 0.816 20 0 BCADLP COC[C@H](C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2)OC ZINC000931717720 640335229 /nfs/dbraw/zinc/33/52/29/640335229.db2.gz BFOSAYNTGRCWSC-AGIUHOORSA-N 2 2 242.363 0.816 20 0 BCADLP COC[C@H](C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2)OC ZINC000931717720 640335238 /nfs/dbraw/zinc/33/52/38/640335238.db2.gz BFOSAYNTGRCWSC-AGIUHOORSA-N 2 2 242.363 0.816 20 0 BCADLP COC[C@H](C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2)OC ZINC000931717720 640335244 /nfs/dbraw/zinc/33/52/44/640335244.db2.gz BFOSAYNTGRCWSC-AGIUHOORSA-N 2 2 242.363 0.816 20 0 BCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC000913534029 640388383 /nfs/dbraw/zinc/38/83/83/640388383.db2.gz JSSAEHGHZAXFQQ-PHIMTYICSA-N 2 2 234.303 0.188 20 0 BCADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC000913534029 640388390 /nfs/dbraw/zinc/38/83/90/640388390.db2.gz JSSAEHGHZAXFQQ-PHIMTYICSA-N 2 2 234.303 0.188 20 0 BCADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc[nH]2)C1 ZINC000054765262 640409042 /nfs/dbraw/zinc/40/90/42/640409042.db2.gz VZRUPHZEXQMSLZ-JTQLQIEISA-N 2 2 208.309 0.841 20 0 BCADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc[nH]2)C1 ZINC000054765262 640409046 /nfs/dbraw/zinc/40/90/46/640409046.db2.gz VZRUPHZEXQMSLZ-JTQLQIEISA-N 2 2 208.309 0.841 20 0 BCADLP [NH3+]Cc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000058006718 640663507 /nfs/dbraw/zinc/66/35/07/640663507.db2.gz ZQUYUYALURMKPB-UHFFFAOYSA-N 3 2 219.332 0.941 20 0 BCADLP [NH3+]Cc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000058006718 640663515 /nfs/dbraw/zinc/66/35/15/640663515.db2.gz ZQUYUYALURMKPB-UHFFFAOYSA-N 3 2 219.332 0.941 20 0 BCADLP CC(C)NC(=[NH2+])NCC[NH+]1CCSCC1 ZINC000226757635 640792366 /nfs/dbraw/zinc/79/23/66/640792366.db2.gz PZCIGMHTOCTYOK-UHFFFAOYSA-N 2 2 230.381 0.558 20 0 BCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CC)C1 ZINC001030400813 640822341 /nfs/dbraw/zinc/82/23/41/640822341.db2.gz GTZCLWXMKOUPHL-GFCCVEGCSA-N 2 2 239.363 0.681 20 0 BCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CC)C1 ZINC001030400813 640822344 /nfs/dbraw/zinc/82/23/44/640822344.db2.gz GTZCLWXMKOUPHL-GFCCVEGCSA-N 2 2 239.363 0.681 20 0 BCADLP CN1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000061988621 641012503 /nfs/dbraw/zinc/01/25/03/641012503.db2.gz OTIAWGDRZLNCOE-LBPRGKRZSA-N 2 2 223.364 0.907 20 0 BCADLP CCC[C@](C)(O)C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000230680726 641079427 /nfs/dbraw/zinc/07/94/27/641079427.db2.gz FILIUAKCTOCYMR-XQQFMLRXSA-N 2 2 244.379 0.894 20 0 BCADLP C([C@@H]1C[C@H]2COC[C@@H]2O1)[N@@H+]1CCC[NH2+]CC1 ZINC000675080156 641342250 /nfs/dbraw/zinc/34/22/50/641342250.db2.gz NPDWVIUINJRRPW-SRVKXCTJSA-N 2 2 226.320 0.086 20 0 BCADLP C([C@@H]1C[C@H]2COC[C@@H]2O1)[N@H+]1CCC[NH2+]CC1 ZINC000675080156 641342255 /nfs/dbraw/zinc/34/22/55/641342255.db2.gz NPDWVIUINJRRPW-SRVKXCTJSA-N 2 2 226.320 0.086 20 0 BCADLP CC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001030845510 641379365 /nfs/dbraw/zinc/37/93/65/641379365.db2.gz IJVIKAVNEUEGKP-QWRGUYRKSA-N 2 2 239.363 0.537 20 0 BCADLP CC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001030845510 641379371 /nfs/dbraw/zinc/37/93/71/641379371.db2.gz IJVIKAVNEUEGKP-QWRGUYRKSA-N 2 2 239.363 0.537 20 0 BCADLP CC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001030963648 641527148 /nfs/dbraw/zinc/52/71/48/641527148.db2.gz PDCFLPTXWMWKOJ-ONGXEEELSA-N 2 2 225.336 0.004 20 0 BCADLP CC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001030963648 641527152 /nfs/dbraw/zinc/52/71/52/641527152.db2.gz PDCFLPTXWMWKOJ-ONGXEEELSA-N 2 2 225.336 0.004 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000225446348 641708561 /nfs/dbraw/zinc/70/85/61/641708561.db2.gz VSCJZAMNIHYDEM-JGVFFNPUSA-N 2 2 226.242 0.451 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000225446348 641708569 /nfs/dbraw/zinc/70/85/69/641708569.db2.gz VSCJZAMNIHYDEM-JGVFFNPUSA-N 2 2 226.242 0.451 20 0 BCADLP CCC[N@H+](C[C@@H](O)COC)[C@H]1CC[NH2+]C1 ZINC000250125378 641754299 /nfs/dbraw/zinc/75/42/99/641754299.db2.gz ZBVJDNOIOVAXMP-WDEREUQCSA-N 2 2 216.325 0.068 20 0 BCADLP CCC[N@@H+](C[C@@H](O)COC)[C@H]1CC[NH2+]C1 ZINC000250125378 641754304 /nfs/dbraw/zinc/75/43/04/641754304.db2.gz ZBVJDNOIOVAXMP-WDEREUQCSA-N 2 2 216.325 0.068 20 0 BCADLP C[NH+]1CCC([NH2+]CC2(C)OCCCO2)CC1 ZINC000190670894 641880104 /nfs/dbraw/zinc/88/01/04/641880104.db2.gz LQSSCKXZYANHAH-UHFFFAOYSA-N 2 2 228.336 0.823 20 0 BCADLP CC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001031440137 642142057 /nfs/dbraw/zinc/14/20/57/642142057.db2.gz QOHRZXPDMFFYKD-LBPRGKRZSA-N 2 2 239.363 0.681 20 0 BCADLP CC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001031440137 642142059 /nfs/dbraw/zinc/14/20/59/642142059.db2.gz QOHRZXPDMFFYKD-LBPRGKRZSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444789573 642186102 /nfs/dbraw/zinc/18/61/02/642186102.db2.gz FELAWVGXLUNHKD-VHSXEESVSA-N 2 2 236.319 0.473 20 0 BCADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444789573 642186107 /nfs/dbraw/zinc/18/61/07/642186107.db2.gz FELAWVGXLUNHKD-VHSXEESVSA-N 2 2 236.319 0.473 20 0 BCADLP C[N@H+](CC[NH3+])C[C@H](O)CC(F)(F)F ZINC000307931432 642347845 /nfs/dbraw/zinc/34/78/45/642347845.db2.gz CBSQHWKXFVJKSM-ZCFIWIBFSA-N 2 2 200.204 0.190 20 0 BCADLP C[N@@H+](CC[NH3+])C[C@H](O)CC(F)(F)F ZINC000307931432 642347851 /nfs/dbraw/zinc/34/78/51/642347851.db2.gz CBSQHWKXFVJKSM-ZCFIWIBFSA-N 2 2 200.204 0.190 20 0 BCADLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000353498391 642381929 /nfs/dbraw/zinc/38/19/29/642381929.db2.gz AFUDCVZYUKYUIJ-GXSJLCMTSA-N 2 2 238.335 0.299 20 0 BCADLP FCCn1cc(C[NH2+]CCn2cc[nH+]c2)cn1 ZINC000921484602 642634751 /nfs/dbraw/zinc/63/47/51/642634751.db2.gz QZUJLPOCIDRIFK-UHFFFAOYSA-N 2 2 237.282 0.839 20 0 BCADLP CC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001031744865 642744772 /nfs/dbraw/zinc/74/47/72/642744772.db2.gz UWQPMNXKDPXMFU-GHMZBOCLSA-N 2 2 248.330 0.581 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCF)C1 ZINC001010383127 642863893 /nfs/dbraw/zinc/86/38/93/642863893.db2.gz RKJQDUCYKBIQFW-GHMZBOCLSA-N 2 2 243.326 0.241 20 0 BCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCF)C1 ZINC001010383127 642863894 /nfs/dbraw/zinc/86/38/94/642863894.db2.gz RKJQDUCYKBIQFW-GHMZBOCLSA-N 2 2 243.326 0.241 20 0 BCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001010383127 642863897 /nfs/dbraw/zinc/86/38/97/642863897.db2.gz RKJQDUCYKBIQFW-GHMZBOCLSA-N 2 2 243.326 0.241 20 0 BCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001010383127 642863898 /nfs/dbraw/zinc/86/38/98/642863898.db2.gz RKJQDUCYKBIQFW-GHMZBOCLSA-N 2 2 243.326 0.241 20 0 BCADLP COC(OC)[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000070622328 643047604 /nfs/dbraw/zinc/04/76/04/643047604.db2.gz NVHKGAPMKGWOJK-VIFPVBQESA-N 2 2 216.325 0.678 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)CCOCC(F)(F)F ZINC000082594921 643350731 /nfs/dbraw/zinc/35/07/31/643350731.db2.gz MBJUAVQUGSVQBI-ZETCQYMHSA-N 2 2 214.231 0.844 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)CCOCC(F)(F)F ZINC000082594921 643350736 /nfs/dbraw/zinc/35/07/36/643350736.db2.gz MBJUAVQUGSVQBI-ZETCQYMHSA-N 2 2 214.231 0.844 20 0 BCADLP CC[NH+](CC)CC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000082667114 643363870 /nfs/dbraw/zinc/36/38/70/643363870.db2.gz MALXZGWKHNYIFL-LLVKDONJSA-N 2 2 227.352 0.587 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001021126705 643405190 /nfs/dbraw/zinc/40/51/90/643405190.db2.gz VHLDZWFIEAOCGM-MGCOHNPYSA-N 2 2 240.282 0.089 20 0 BCADLP CCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000970340079 643416499 /nfs/dbraw/zinc/41/64/99/643416499.db2.gz OZZNWCBEJQHTMK-SNVBAGLBSA-N 2 2 236.319 0.553 20 0 BCADLP Cc1cc(NCCn2cc[nH+]c2)nc(N)[nH+]1 ZINC000084148499 643647094 /nfs/dbraw/zinc/64/70/94/643647094.db2.gz LAFMILGVKQVOPH-UHFFFAOYSA-N 2 2 218.264 0.676 20 0 BCADLP CC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001000313728 643773889 /nfs/dbraw/zinc/77/38/89/643773889.db2.gz TVHXNDNBFWLIPV-JTQLQIEISA-N 2 2 236.319 0.553 20 0 BCADLP COCC(COC)[NH+]1CCC([NH+](C)C)CC1 ZINC000929262355 643860201 /nfs/dbraw/zinc/86/02/01/643860201.db2.gz KORWKUSLMAWPTL-UHFFFAOYSA-N 2 2 230.352 0.674 20 0 BCADLP COC(=O)/C=C(\C)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000929311372 644065728 /nfs/dbraw/zinc/06/57/28/644065728.db2.gz CJDLQUMDLVOSTA-HJUGMNLHSA-N 2 2 224.304 0.257 20 0 BCADLP COC(=O)/C=C(/C)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000929311371 644066084 /nfs/dbraw/zinc/06/60/84/644066084.db2.gz CJDLQUMDLVOSTA-FPZBOGFLSA-N 2 2 224.304 0.257 20 0 BCADLP COC(=O)/C=C(/C)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000929311371 644066092 /nfs/dbraw/zinc/06/60/92/644066092.db2.gz CJDLQUMDLVOSTA-FPZBOGFLSA-N 2 2 224.304 0.257 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923282434 644315295 /nfs/dbraw/zinc/31/52/95/644315295.db2.gz WCHYQWWWHUARQO-NWDGAFQWSA-N 3 2 239.363 0.178 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923282434 644315297 /nfs/dbraw/zinc/31/52/97/644315297.db2.gz WCHYQWWWHUARQO-NWDGAFQWSA-N 3 2 239.363 0.178 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923282436 644317662 /nfs/dbraw/zinc/31/76/62/644317662.db2.gz WCHYQWWWHUARQO-VXGBXAGGSA-N 3 2 239.363 0.178 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923282436 644317664 /nfs/dbraw/zinc/31/76/64/644317664.db2.gz WCHYQWWWHUARQO-VXGBXAGGSA-N 3 2 239.363 0.178 20 0 BCADLP C[C@@H]1C[N@H+](CCC[NH2+]C2CC2)CC[C@H]1[NH3+] ZINC000923289325 644322483 /nfs/dbraw/zinc/32/24/83/644322483.db2.gz GXWHWCBWVBXNLH-ZYHUDNBSSA-N 3 2 211.353 0.798 20 0 BCADLP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC2)CC[C@H]1[NH3+] ZINC000923289325 644322488 /nfs/dbraw/zinc/32/24/88/644322488.db2.gz GXWHWCBWVBXNLH-ZYHUDNBSSA-N 3 2 211.353 0.798 20 0 BCADLP CC(C)COC[C@@H](O)C[N@H+](C)[C@H](C)C[NH3+] ZINC000923289455 644324013 /nfs/dbraw/zinc/32/40/13/644324013.db2.gz IWSJJLQPHMEMPT-MNOVXSKESA-N 2 2 218.341 0.299 20 0 BCADLP CC(C)COC[C@@H](O)C[N@@H+](C)[C@H](C)C[NH3+] ZINC000923289455 644324020 /nfs/dbraw/zinc/32/40/20/644324020.db2.gz IWSJJLQPHMEMPT-MNOVXSKESA-N 2 2 218.341 0.299 20 0 BCADLP C[C@H]1C[N@H+](CCC[NH2+]C2CC2)CC[C@H]1[NH3+] ZINC000923289320 644324707 /nfs/dbraw/zinc/32/47/07/644324707.db2.gz GXWHWCBWVBXNLH-CMPLNLGQSA-N 3 2 211.353 0.798 20 0 BCADLP C[C@H]1C[N@@H+](CCC[NH2+]C2CC2)CC[C@H]1[NH3+] ZINC000923289320 644324711 /nfs/dbraw/zinc/32/47/11/644324711.db2.gz GXWHWCBWVBXNLH-CMPLNLGQSA-N 3 2 211.353 0.798 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H](O)CCOC(C)C ZINC000923294896 644332195 /nfs/dbraw/zinc/33/21/95/644332195.db2.gz QFBYDUCFRUSTQJ-CHWSQXEVSA-N 2 2 244.379 0.846 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H](O)CCOC(C)C ZINC000923294896 644332199 /nfs/dbraw/zinc/33/21/99/644332199.db2.gz QFBYDUCFRUSTQJ-CHWSQXEVSA-N 2 2 244.379 0.846 20 0 BCADLP C[C@@](C[NH3+])([NH2+]C[C@@H](O)C(F)(F)F)C1CC1 ZINC000923295452 644332495 /nfs/dbraw/zinc/33/24/95/644332495.db2.gz APLKXTSEXNVUFF-SFYZADRCSA-N 2 2 226.242 0.627 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H](O)CCOC(C)C ZINC000923294899 644332950 /nfs/dbraw/zinc/33/29/50/644332950.db2.gz QFBYDUCFRUSTQJ-STQMWFEESA-N 2 2 244.379 0.846 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H](O)CCOC(C)C ZINC000923294899 644332958 /nfs/dbraw/zinc/33/29/58/644332958.db2.gz QFBYDUCFRUSTQJ-STQMWFEESA-N 2 2 244.379 0.846 20 0 BCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC000923312993 644341145 /nfs/dbraw/zinc/34/11/45/644341145.db2.gz ANQZLCLKOMWJDE-NWDGAFQWSA-N 2 2 248.330 0.647 20 0 BCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC000923312993 644341148 /nfs/dbraw/zinc/34/11/48/644341148.db2.gz ANQZLCLKOMWJDE-NWDGAFQWSA-N 2 2 248.330 0.647 20 0 BCADLP C(C[NH2+]C1CC1)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923331319 644347389 /nfs/dbraw/zinc/34/73/89/644347389.db2.gz JJKSCNJOZCBDIE-CYBMUJFWSA-N 3 2 223.364 0.814 20 0 BCADLP C(C[NH2+]C1CC1)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923331319 644347392 /nfs/dbraw/zinc/34/73/92/644347392.db2.gz JJKSCNJOZCBDIE-CYBMUJFWSA-N 3 2 223.364 0.814 20 0 BCADLP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923321082 644349102 /nfs/dbraw/zinc/34/91/02/644349102.db2.gz JZUQGTODMOZERF-VOAKCMCISA-N 3 2 241.379 0.111 20 0 BCADLP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923321082 644349109 /nfs/dbraw/zinc/34/91/09/644349109.db2.gz JZUQGTODMOZERF-VOAKCMCISA-N 3 2 241.379 0.111 20 0 BCADLP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923321082 644349115 /nfs/dbraw/zinc/34/91/15/644349115.db2.gz JZUQGTODMOZERF-VOAKCMCISA-N 3 2 241.379 0.111 20 0 BCADLP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923321082 644349120 /nfs/dbraw/zinc/34/91/20/644349120.db2.gz JZUQGTODMOZERF-VOAKCMCISA-N 3 2 241.379 0.111 20 0 BCADLP C[N@@H+](Cc1cc[nH]n1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923320967 644349755 /nfs/dbraw/zinc/34/97/55/644349755.db2.gz AKZTYJUCKRWKOR-LLVKDONJSA-N 2 2 236.319 0.220 20 0 BCADLP C[N@H+](Cc1cc[nH]n1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923320967 644349759 /nfs/dbraw/zinc/34/97/59/644349759.db2.gz AKZTYJUCKRWKOR-LLVKDONJSA-N 2 2 236.319 0.220 20 0 BCADLP C[C@H](O)C[N@H+](CC[NH3+])CCc1ccccc1 ZINC000923351635 644366337 /nfs/dbraw/zinc/36/63/37/644366337.db2.gz MVQSXLLDKSFYIL-LBPRGKRZSA-N 2 2 222.332 0.871 20 0 BCADLP C[C@H](O)C[N@@H+](CC[NH3+])CCc1ccccc1 ZINC000923351635 644366342 /nfs/dbraw/zinc/36/63/42/644366342.db2.gz MVQSXLLDKSFYIL-LBPRGKRZSA-N 2 2 222.332 0.871 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1[NH3+] ZINC000923365537 644375521 /nfs/dbraw/zinc/37/55/21/644375521.db2.gz FSFPQLQTAVHQPU-KWCYVHTRSA-N 2 2 234.343 0.869 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1[NH3+] ZINC000923365537 644375523 /nfs/dbraw/zinc/37/55/23/644375523.db2.gz FSFPQLQTAVHQPU-KWCYVHTRSA-N 2 2 234.343 0.869 20 0 BCADLP CCOCC[C@H](O)C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000923367072 644377165 /nfs/dbraw/zinc/37/71/65/644377165.db2.gz ROAFBTPYROMYQK-GARJFASQSA-N 2 2 216.325 0.053 20 0 BCADLP CCOCC[C@H](O)C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000923367072 644377171 /nfs/dbraw/zinc/37/71/71/644377171.db2.gz ROAFBTPYROMYQK-GARJFASQSA-N 2 2 216.325 0.053 20 0 BCADLP CSC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923367296 644378122 /nfs/dbraw/zinc/37/81/22/644378122.db2.gz GEJHMZJBEKMUPM-YIZRAAEISA-N 2 2 204.339 0.132 20 0 BCADLP CSC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923367296 644378125 /nfs/dbraw/zinc/37/81/25/644378125.db2.gz GEJHMZJBEKMUPM-YIZRAAEISA-N 2 2 204.339 0.132 20 0 BCADLP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H](O)C(F)(F)F ZINC000923368814 644381311 /nfs/dbraw/zinc/38/13/11/644381311.db2.gz UBWCZGFLERTROT-BQBZGAKWSA-N 2 2 228.258 0.873 20 0 BCADLP C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1(C[NH3+])CCC1 ZINC000923362891 644386542 /nfs/dbraw/zinc/38/65/42/644386542.db2.gz QFZCZWJRDKGMPT-NSHDSACASA-N 3 2 239.363 0.178 20 0 BCADLP C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1(C[NH3+])CCC1 ZINC000923362891 644386549 /nfs/dbraw/zinc/38/65/49/644386549.db2.gz QFZCZWJRDKGMPT-NSHDSACASA-N 3 2 239.363 0.178 20 0 BCADLP CSC[C@H](O)C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000923379768 644391206 /nfs/dbraw/zinc/39/12/06/644391206.db2.gz LYFHHUZMJJPNPF-GHMZBOCLSA-N 2 2 230.377 0.538 20 0 BCADLP CSC[C@H](O)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000923379768 644391209 /nfs/dbraw/zinc/39/12/09/644391209.db2.gz LYFHHUZMJJPNPF-GHMZBOCLSA-N 2 2 230.377 0.538 20 0 BCADLP CC[N@H+](CC[NH3+])C[C@@H](O)Cc1ccccc1 ZINC000923402557 644406916 /nfs/dbraw/zinc/40/69/16/644406916.db2.gz YCTNPEUWSXJLLX-ZDUSSCGKSA-N 2 2 222.332 0.871 20 0 BCADLP CC[N@@H+](CC[NH3+])C[C@@H](O)Cc1ccccc1 ZINC000923402557 644406920 /nfs/dbraw/zinc/40/69/20/644406920.db2.gz YCTNPEUWSXJLLX-ZDUSSCGKSA-N 2 2 222.332 0.871 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000923410182 644411843 /nfs/dbraw/zinc/41/18/43/644411843.db2.gz KXYAWBDBCHZKOG-DGCLKSJQSA-N 2 2 222.332 0.869 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000923410182 644411846 /nfs/dbraw/zinc/41/18/46/644411846.db2.gz KXYAWBDBCHZKOG-DGCLKSJQSA-N 2 2 222.332 0.869 20 0 BCADLP CCOCC[C@@H](O)C[N@H+](CC)[C@H]1CC[NH2+]C1 ZINC000923426591 644421411 /nfs/dbraw/zinc/42/14/11/644421411.db2.gz TYBOYYWIUDUHBH-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP CCOCC[C@@H](O)C[N@@H+](CC)[C@H]1CC[NH2+]C1 ZINC000923426591 644421416 /nfs/dbraw/zinc/42/14/16/644421416.db2.gz TYBOYYWIUDUHBH-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000923430551 644425102 /nfs/dbraw/zinc/42/51/02/644425102.db2.gz NBRRFGWKNPPOOX-NEPJUHHUSA-N 2 2 244.379 0.832 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000923430551 644425109 /nfs/dbraw/zinc/42/51/09/644425109.db2.gz NBRRFGWKNPPOOX-NEPJUHHUSA-N 2 2 244.379 0.832 20 0 BCADLP C(C[N@@H+]1CCNCC[NH2+]CC1)[C@@H]1CCCCO1 ZINC000923460760 644445476 /nfs/dbraw/zinc/44/54/76/644445476.db2.gz QQOAWQDBLWXFIT-ZDUSSCGKSA-N 2 2 241.379 0.440 20 0 BCADLP C(C[N@H+]1CCNCC[NH2+]CC1)[C@@H]1CCCCO1 ZINC000923460760 644445484 /nfs/dbraw/zinc/44/54/84/644445484.db2.gz QQOAWQDBLWXFIT-ZDUSSCGKSA-N 2 2 241.379 0.440 20 0 BCADLP C(CN1CC[NH2+]CC[NH2+]CC1)[C@@H]1CCCCO1 ZINC000923460760 644445490 /nfs/dbraw/zinc/44/54/90/644445490.db2.gz QQOAWQDBLWXFIT-ZDUSSCGKSA-N 2 2 241.379 0.440 20 0 BCADLP CCSCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923461910 644447555 /nfs/dbraw/zinc/44/75/55/644447555.db2.gz YOIPNAPJMJKDMZ-UHFFFAOYSA-N 2 2 217.382 0.234 20 0 BCADLP CO[C@H](C[N@@H+]1CCC[C@]([NH3+])(CO)C1)C1CCC1 ZINC000923475582 644454075 /nfs/dbraw/zinc/45/40/75/644454075.db2.gz YJAWUWVYUUPVBP-CHWSQXEVSA-N 2 2 242.363 0.587 20 0 BCADLP CO[C@H](C[N@H+]1CCC[C@]([NH3+])(CO)C1)C1CCC1 ZINC000923475582 644454080 /nfs/dbraw/zinc/45/40/80/644454080.db2.gz YJAWUWVYUUPVBP-CHWSQXEVSA-N 2 2 242.363 0.587 20 0 BCADLP CC(C)OCCC[N@@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923476089 644454836 /nfs/dbraw/zinc/45/48/36/644454836.db2.gz GEOJNUIZKDDGPL-LBPRGKRZSA-N 2 2 230.352 0.587 20 0 BCADLP CC(C)OCCC[N@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923476089 644454840 /nfs/dbraw/zinc/45/48/40/644454840.db2.gz GEOJNUIZKDDGPL-LBPRGKRZSA-N 2 2 230.352 0.587 20 0 BCADLP Cc1nc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)no1 ZINC000923498012 644473373 /nfs/dbraw/zinc/47/33/73/644473373.db2.gz NDSJKFNCSMEVTF-WPRPVWTQSA-N 2 2 224.308 0.795 20 0 BCADLP Cc1nc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)no1 ZINC000923498012 644473376 /nfs/dbraw/zinc/47/33/76/644473376.db2.gz NDSJKFNCSMEVTF-WPRPVWTQSA-N 2 2 224.308 0.795 20 0 BCADLP C(C[NH2+]C1CC1)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515976 644480758 /nfs/dbraw/zinc/48/07/58/644480758.db2.gz PKNQOWNIVMZPJM-NWDGAFQWSA-N 3 2 223.364 0.670 20 0 BCADLP C(C[NH2+]C1CC1)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515976 644480761 /nfs/dbraw/zinc/48/07/61/644480761.db2.gz PKNQOWNIVMZPJM-NWDGAFQWSA-N 3 2 223.364 0.670 20 0 BCADLP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1[NH3+] ZINC000923512637 644482914 /nfs/dbraw/zinc/48/29/14/644482914.db2.gz RXIBGLPVUNUAGZ-MWLCHTKSSA-N 2 2 221.304 0.164 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1[NH3+] ZINC000923512637 644482915 /nfs/dbraw/zinc/48/29/15/644482915.db2.gz RXIBGLPVUNUAGZ-MWLCHTKSSA-N 2 2 221.304 0.164 20 0 BCADLP COC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923529571 644485368 /nfs/dbraw/zinc/48/53/68/644485368.db2.gz AJHXRVOTIAARKK-VXGBXAGGSA-N 2 2 228.336 0.212 20 0 BCADLP COC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923529571 644485373 /nfs/dbraw/zinc/48/53/73/644485373.db2.gz AJHXRVOTIAARKK-VXGBXAGGSA-N 2 2 228.336 0.212 20 0 BCADLP CSC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530429 644487486 /nfs/dbraw/zinc/48/74/86/644487486.db2.gz ISSSMDMNFAYJMY-NWDGAFQWSA-N 2 2 244.404 0.928 20 0 BCADLP CSC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530429 644487494 /nfs/dbraw/zinc/48/74/94/644487494.db2.gz ISSSMDMNFAYJMY-NWDGAFQWSA-N 2 2 244.404 0.928 20 0 BCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC3OCCO3)C2)C1 ZINC000795318026 644809977 /nfs/dbraw/zinc/80/99/77/644809977.db2.gz XMMQNUBFJFJMQZ-GFCCVEGCSA-N 2 2 226.320 0.387 20 0 BCADLP C[N@H+]1CC[C@@]2(CC[NH+](CC3OCCO3)C2)C1 ZINC000795318026 644809982 /nfs/dbraw/zinc/80/99/82/644809982.db2.gz XMMQNUBFJFJMQZ-GFCCVEGCSA-N 2 2 226.320 0.387 20 0 BCADLP C[NH+]1CC[C@@]2(CC[N@H+](CC3OCCO3)C2)C1 ZINC000795318026 644809984 /nfs/dbraw/zinc/80/99/84/644809984.db2.gz XMMQNUBFJFJMQZ-GFCCVEGCSA-N 2 2 226.320 0.387 20 0 BCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC3OCCO3)C2)C1 ZINC000795318026 644809988 /nfs/dbraw/zinc/80/99/88/644809988.db2.gz XMMQNUBFJFJMQZ-GFCCVEGCSA-N 2 2 226.320 0.387 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000304337036 644893928 /nfs/dbraw/zinc/89/39/28/644893928.db2.gz IIJBPBZGDRJTKC-LLVKDONJSA-N 2 2 225.336 0.278 20 0 BCADLP Cc1nonc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252867478 644918343 /nfs/dbraw/zinc/91/83/43/644918343.db2.gz QXJQPJNRWWJHDN-GARJFASQSA-N 2 2 236.319 0.937 20 0 BCADLP Cc1nonc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252867478 644918351 /nfs/dbraw/zinc/91/83/51/644918351.db2.gz QXJQPJNRWWJHDN-GARJFASQSA-N 2 2 236.319 0.937 20 0 BCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[N@H+]1C ZINC000928552969 645806205 /nfs/dbraw/zinc/80/62/05/645806205.db2.gz CTKCVVLZVYRFJC-SNVBAGLBSA-N 2 2 222.292 0.012 20 0 BCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[N@@H+]1C ZINC000928552969 645806213 /nfs/dbraw/zinc/80/62/13/645806213.db2.gz CTKCVVLZVYRFJC-SNVBAGLBSA-N 2 2 222.292 0.012 20 0 BCADLP Cc1[nH]c(C[N@@H+]2CCC[C@@H]2CO)c(C)[nH+]1 ZINC000929359039 646093344 /nfs/dbraw/zinc/09/33/44/646093344.db2.gz PMLAVVCALYTVGI-SNVBAGLBSA-N 2 2 209.293 0.983 20 0 BCADLP Cc1[nH]c(C[N@H+]2CCC[C@@H]2CO)c(C)[nH+]1 ZINC000929359039 646093349 /nfs/dbraw/zinc/09/33/49/646093349.db2.gz PMLAVVCALYTVGI-SNVBAGLBSA-N 2 2 209.293 0.983 20 0 BCADLP C[C@H](CO)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924752904 646097353 /nfs/dbraw/zinc/09/73/53/646097353.db2.gz IEXAJZRIPZNLJM-WOPDTQHZSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@H](CO)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924752904 646097362 /nfs/dbraw/zinc/09/73/62/646097362.db2.gz IEXAJZRIPZNLJM-WOPDTQHZSA-N 2 2 212.337 0.974 20 0 BCADLP COCC[C@](C)(O)C[NH2+][C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000925083692 646180434 /nfs/dbraw/zinc/18/04/34/646180434.db2.gz DJODFBAAOUWXKR-AVGNSLFASA-N 2 2 242.363 0.458 20 0 BCADLP COCC[C@](C)(O)C[NH2+][C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000925083692 646180437 /nfs/dbraw/zinc/18/04/37/646180437.db2.gz DJODFBAAOUWXKR-AVGNSLFASA-N 2 2 242.363 0.458 20 0 BCADLP CCOCCCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925483010 646293839 /nfs/dbraw/zinc/29/38/39/646293839.db2.gz ZETCNLUMNMDYES-NSHDSACASA-N 2 2 216.325 0.381 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1NCCC[NH+]1CCOCC1 ZINC000925494265 646302072 /nfs/dbraw/zinc/30/20/72/646302072.db2.gz JKWPPIIQSJZYRY-LBPRGKRZSA-N 2 2 241.379 0.439 20 0 BCADLP O=C(NCC[NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925506755 646306496 /nfs/dbraw/zinc/30/64/96/646306496.db2.gz XERPRUCBTZNMGR-LLVKDONJSA-N 2 2 237.347 0.387 20 0 BCADLP C(C[C@@H]1CCCO1)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925536422 646315454 /nfs/dbraw/zinc/31/54/54/646315454.db2.gz OXSPQXJKIIFIHV-QWRGUYRKSA-N 2 2 214.309 0.134 20 0 BCADLP C[C@H](O)[C@@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000929804624 646326329 /nfs/dbraw/zinc/32/63/29/646326329.db2.gz XBZXSGBZTDNHBZ-JQWIXIFHSA-N 2 2 239.319 0.262 20 0 BCADLP C[C@H](O)[C@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000929804723 646326337 /nfs/dbraw/zinc/32/63/37/646326337.db2.gz XVHIRYKUVAWWFM-GXSJLCMTSA-N 2 2 239.319 0.331 20 0 BCADLP C[C@@H](O)[C@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000929804727 646327374 /nfs/dbraw/zinc/32/73/74/646327374.db2.gz XVHIRYKUVAWWFM-MWLCHTKSSA-N 2 2 239.319 0.331 20 0 BCADLP COCCOCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925565437 646338160 /nfs/dbraw/zinc/33/81/60/646338160.db2.gz RCOYETBITMVZEO-JTQLQIEISA-N 2 2 216.325 0.380 20 0 BCADLP CCn1cnnc1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925570965 646340195 /nfs/dbraw/zinc/34/01/95/646340195.db2.gz CBINSBRQIQMWID-NSHDSACASA-N 2 2 249.362 0.715 20 0 BCADLP FC(F)(F)CCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925604153 646354797 /nfs/dbraw/zinc/35/47/97/646354797.db2.gz IHXOPFQEOZTMBS-MRVPVSSYSA-N 2 2 226.242 0.907 20 0 BCADLP COC[C@@H](CCO)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925612179 646359639 /nfs/dbraw/zinc/35/96/39/646359639.db2.gz RJPIPECMKOQROV-NEPJUHHUSA-N 2 2 242.363 0.648 20 0 BCADLP OCC1CCC([NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925612269 646359816 /nfs/dbraw/zinc/35/98/16/646359816.db2.gz QLNWTRSGYYOZGH-MCIGGMRASA-N 2 2 228.336 0.116 20 0 BCADLP CC(C)COC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925612110 646360047 /nfs/dbraw/zinc/36/00/47/646360047.db2.gz ISLWDSDSINLNNF-RYUDHWBXSA-N 2 2 244.379 0.750 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H](O)C1CCOCC1 ZINC000925617996 646364387 /nfs/dbraw/zinc/36/43/87/646364387.db2.gz FDUXLCDBXLHVBZ-DRZSPHRISA-N 2 2 242.363 0.504 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H](O)COCC1CC1 ZINC000925616471 646365932 /nfs/dbraw/zinc/36/59/32/646365932.db2.gz MTWKYYVPVFNBBX-RYUDHWBXSA-N 2 2 242.363 0.504 20 0 BCADLP C1COCC[C@H]([NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925636443 646372800 /nfs/dbraw/zinc/37/28/00/646372800.db2.gz SMASLAVHAIMXDM-GHMZBOCLSA-N 2 2 214.309 0.134 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[NH2+]CCOC2)CCO1 ZINC000925629315 646375039 /nfs/dbraw/zinc/37/50/39/646375039.db2.gz JBVZVEUXBUBYHW-VWYCJHECSA-N 2 2 214.309 0.132 20 0 BCADLP C[C@H]([NH2+][C@@H]1C[NH2+]CCOC1)[C@H]1CCCOC1 ZINC000925630446 646376020 /nfs/dbraw/zinc/37/60/20/646376020.db2.gz BQMPFIIQAFUZNU-SDDRHHMPSA-N 2 2 228.336 0.380 20 0 BCADLP C1CC1[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CCOC2)CCO1 ZINC000925640295 646382814 /nfs/dbraw/zinc/38/28/14/646382814.db2.gz RMTJELQPGMCWBD-UPJWGTAASA-N 2 2 240.347 0.522 20 0 BCADLP CCOC1CC(CC[NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925650774 646389101 /nfs/dbraw/zinc/38/91/01/646389101.db2.gz YEVLMHOTVLWZDO-OTTFEQOBSA-N 2 2 242.363 0.770 20 0 BCADLP C([NH2+][C@@H]1C[NH2+]CCOC1)[C@@H]1CCSC1 ZINC000925652063 646391470 /nfs/dbraw/zinc/39/14/70/646391470.db2.gz BTCGKJSNWASSEG-VHSXEESVSA-N 2 2 216.350 0.318 20 0 BCADLP CC(C)[C@H]([NH2+][C@@H]1C[NH2+]CCOC1)C(C)(C)O ZINC000925655995 646393513 /nfs/dbraw/zinc/39/35/13/646393513.db2.gz CKXSVPMURLAILV-MNOVXSKESA-N 2 2 230.352 0.360 20 0 BCADLP CSC1(C[NH2+][C@@H]2C[NH2+]CCOC2)CCC1 ZINC000925657982 646394108 /nfs/dbraw/zinc/39/41/08/646394108.db2.gz QERQFKUXUVMVPV-SNVBAGLBSA-N 2 2 230.377 0.850 20 0 BCADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]CCOC1)C(C)(C)O ZINC000925677264 646404268 /nfs/dbraw/zinc/40/42/68/646404268.db2.gz WVPNYBZSXHZGMV-NXEZZACHSA-N 2 2 216.325 0.114 20 0 BCADLP C([NH2+][C@@H]1C[NH2+]CCOC1)[C@@H]1CC12CCOCC2 ZINC000925681243 646409319 /nfs/dbraw/zinc/40/93/19/646409319.db2.gz MVDTWOOTXWKWFK-NWDGAFQWSA-N 2 2 240.347 0.381 20 0 BCADLP COCC1CCC([NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925690607 646415874 /nfs/dbraw/zinc/41/58/74/646415874.db2.gz MONKJNHRXRQWJK-BPCQOVAHSA-N 2 2 242.363 0.770 20 0 BCADLP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925699024 646423814 /nfs/dbraw/zinc/42/38/14/646423814.db2.gz IJAXWSVFHZMPPS-JHJVBQTASA-N 3 2 241.379 0.330 20 0 BCADLP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2C[NH2+]CCO2)C1 ZINC000925704008 646428931 /nfs/dbraw/zinc/42/89/31/646428931.db2.gz FSHGCBAJXSEIIP-IJLUTSLNSA-N 3 2 241.379 0.470 20 0 BCADLP CC(=O)N1CC[C@@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925722776 646447538 /nfs/dbraw/zinc/44/75/38/646447538.db2.gz YNNIHQYQMZCIOW-JLLWLGSASA-N 2 2 225.336 0.337 20 0 BCADLP C1CC12CCC[C@@H]2[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925724745 646449299 /nfs/dbraw/zinc/44/92/99/646449299.db2.gz LRZBHJUVEONUPV-QWRGUYRKSA-N 2 2 210.321 0.897 20 0 BCADLP CCC[C@@H](CCO)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925724779 646449901 /nfs/dbraw/zinc/44/99/01/646449901.db2.gz MUSQBGDWIASPQF-WDEREUQCSA-N 2 2 216.325 0.116 20 0 BCADLP C[C@@H]([NH3+])[C@H]([NH2+]C1CC(C(N)=O)C1)c1ccccc1 ZINC000925728996 646454485 /nfs/dbraw/zinc/45/44/85/646454485.db2.gz NDPQEJCHJQSZFC-QWCHVHKLSA-N 2 2 247.342 0.928 20 0 BCADLP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925772263 646468534 /nfs/dbraw/zinc/46/85/34/646468534.db2.gz HMTPDJJHRFVLEN-NAWOPXAZSA-N 2 2 224.348 0.857 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000925771969 646473194 /nfs/dbraw/zinc/47/31/94/646473194.db2.gz OPQUFSXKDVWLLU-GWOFURMSSA-N 2 2 246.376 0.150 20 0 BCADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cnn(C)n1 ZINC000925811668 646490047 /nfs/dbraw/zinc/49/00/47/646490047.db2.gz DTUSEZCGGZRWHU-VHSXEESVSA-N 2 2 246.318 0.677 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816873 646491382 /nfs/dbraw/zinc/49/13/82/646491382.db2.gz KKTKGEPXFCFNQF-YPMHNXCESA-N 3 2 240.395 0.140 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816872 646492633 /nfs/dbraw/zinc/49/26/33/646492633.db2.gz KKTKGEPXFCFNQF-WCQYABFASA-N 3 2 240.395 0.140 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925834587 646503274 /nfs/dbraw/zinc/50/32/74/646503274.db2.gz ZBWYXMFRWFQGNV-KVSVUVNWSA-N 2 2 240.347 0.378 20 0 BCADLP C1=CCC(CC[NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925834594 646503366 /nfs/dbraw/zinc/50/33/66/646503366.db2.gz ZDNJPSBTKDGRPN-GFCCVEGCSA-N 2 2 210.321 0.921 20 0 BCADLP CCO[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)C[NH+](C)C ZINC000925836230 646503955 /nfs/dbraw/zinc/50/39/55/646503955.db2.gz JCJGWZHDTDMCHM-RWMBFGLXSA-N 3 2 243.395 0.813 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CCOC2)CCS1 ZINC000925860702 646514611 /nfs/dbraw/zinc/51/46/11/646514611.db2.gz JTHGOIZYHGCRDH-OUAUKWLOSA-N 2 2 230.377 0.849 20 0 BCADLP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cnn(C)n1 ZINC000926207944 646595476 /nfs/dbraw/zinc/59/54/76/646595476.db2.gz XYLWDRSSBMJSKU-SECBINFHSA-N 2 2 234.307 0.442 20 0 BCADLP C[C@@H]1COC[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000926223028 646597761 /nfs/dbraw/zinc/59/77/61/646597761.db2.gz AGZRIKSROLGKIY-VWYCJHECSA-N 2 2 221.304 0.822 20 0 BCADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cnn(C)n1 ZINC000926231241 646599992 /nfs/dbraw/zinc/59/99/92/646599992.db2.gz YMCZWPVROWAQQI-UWVGGRQHSA-N 2 2 246.318 0.677 20 0 BCADLP C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000714249043 712480688 /nfs/dbraw/zinc/48/06/88/712480688.db2.gz UAOCKBKPJXDZKA-NAKRPEOUSA-N 2 2 246.376 0.292 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CCCCC[NH3+] ZINC000036999366 712528648 /nfs/dbraw/zinc/52/86/48/712528648.db2.gz QFFZIEJRQDBEDD-LLVKDONJSA-N 2 2 238.335 0.907 20 0 BCADLP C[C@H]([NH2+]CC1(C)OCCO1)[C@@H]1CCCC[NH2+]1 ZINC000716888293 712580519 /nfs/dbraw/zinc/58/05/19/712580519.db2.gz NODHBQPJROVMGV-QWRGUYRKSA-N 2 2 228.336 0.870 20 0 BCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCCO ZINC000720352461 712832811 /nfs/dbraw/zinc/83/28/11/712832811.db2.gz PWWYNAXESODLDA-NWDGAFQWSA-N 2 2 212.337 0.927 20 0 BCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCCO ZINC000720352461 712832814 /nfs/dbraw/zinc/83/28/14/712832814.db2.gz PWWYNAXESODLDA-NWDGAFQWSA-N 2 2 212.337 0.927 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCCO ZINC000720352461 712832815 /nfs/dbraw/zinc/83/28/15/712832815.db2.gz PWWYNAXESODLDA-NWDGAFQWSA-N 2 2 212.337 0.927 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCCO ZINC000720352461 712832816 /nfs/dbraw/zinc/83/28/16/712832816.db2.gz PWWYNAXESODLDA-NWDGAFQWSA-N 2 2 212.337 0.927 20 0 BCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCCOCC1 ZINC000380458932 712900825 /nfs/dbraw/zinc/90/08/25/712900825.db2.gz XLAQZLUGXODKGB-LBPRGKRZSA-N 2 2 228.336 0.165 20 0 BCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCCOCC1 ZINC000380458932 712900826 /nfs/dbraw/zinc/90/08/26/712900826.db2.gz XLAQZLUGXODKGB-LBPRGKRZSA-N 2 2 228.336 0.165 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)CCO[C@H]1CCOC1 ZINC000724917218 710748815 /nfs/dbraw/zinc/74/88/15/710748815.db2.gz XJQOPBNOCVJILY-UWVGGRQHSA-N 2 2 202.298 0.071 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)CCO[C@H]1CCOC1 ZINC000724917218 710748817 /nfs/dbraw/zinc/74/88/17/710748817.db2.gz XJQOPBNOCVJILY-UWVGGRQHSA-N 2 2 202.298 0.071 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCO[C@@H]1CCOC1 ZINC000724926761 710749504 /nfs/dbraw/zinc/74/95/04/710749504.db2.gz UKZSGJVZPRPJEI-XQQFMLRXSA-N 2 2 242.363 0.994 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCO[C@@H]1CCOC1 ZINC000724926761 710749505 /nfs/dbraw/zinc/74/95/05/710749505.db2.gz UKZSGJVZPRPJEI-XQQFMLRXSA-N 2 2 242.363 0.994 20 0 BCADLP [NH3+][C@H]1CCCCC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000724934625 710750493 /nfs/dbraw/zinc/75/04/93/710750493.db2.gz DEWPPSQKUJJXDL-QWHCGFSZSA-N 2 2 242.363 0.995 20 0 BCADLP [NH3+][C@H]1CCCCC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000724934625 710750499 /nfs/dbraw/zinc/75/04/99/710750499.db2.gz DEWPPSQKUJJXDL-QWHCGFSZSA-N 2 2 242.363 0.995 20 0 BCADLP CCOC(=O)/C=C\C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000393815534 711175845 /nfs/dbraw/zinc/17/58/45/711175845.db2.gz GBZVQMFMKBUMRG-WZQADMAKSA-N 2 2 224.304 0.257 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCC3OCCCO3)C[C@H]21 ZINC000395023144 711199525 /nfs/dbraw/zinc/19/95/25/711199525.db2.gz NVALLXORXKYXPN-PJXYFTJBSA-N 2 2 240.347 0.631 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCC3OCCCO3)C[C@H]21 ZINC000395023144 711199526 /nfs/dbraw/zinc/19/95/26/711199526.db2.gz NVALLXORXKYXPN-PJXYFTJBSA-N 2 2 240.347 0.631 20 0 BCADLP COCCOCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396618989 711361360 /nfs/dbraw/zinc/36/13/60/711361360.db2.gz HCTIVFJZVRYTCE-WDEREUQCSA-N 2 2 216.325 0.380 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000396615090 711361868 /nfs/dbraw/zinc/36/18/68/711361868.db2.gz SCBMUDAEABAILO-CHWSQXEVSA-N 2 2 241.379 0.439 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1NCCC[NH+]1CCOCC1 ZINC000396615090 711361870 /nfs/dbraw/zinc/36/18/70/711361870.db2.gz SCBMUDAEABAILO-CHWSQXEVSA-N 2 2 241.379 0.439 20 0 BCADLP CCN1C[C@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)CC1=O ZINC000396687417 711364446 /nfs/dbraw/zinc/36/44/46/711364446.db2.gz YWWFJILSLPMOHO-AXFHLTTASA-N 2 2 225.336 0.337 20 0 BCADLP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000397970416 711398500 /nfs/dbraw/zinc/39/85/00/711398500.db2.gz MLQXWFKDDHSSIH-UWVGGRQHSA-N 2 2 236.319 0.515 20 0 BCADLP C[N@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)CC(C)(C)[NH3+] ZINC000724600585 710743977 /nfs/dbraw/zinc/74/39/77/710743977.db2.gz NUCBPBRJDAATRW-OUAUKWLOSA-N 2 2 228.336 0.459 20 0 BCADLP C[N@@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)CC(C)(C)[NH3+] ZINC000724600585 710743981 /nfs/dbraw/zinc/74/39/81/710743981.db2.gz NUCBPBRJDAATRW-OUAUKWLOSA-N 2 2 228.336 0.459 20 0 BCADLP CC[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001045330276 710838512 /nfs/dbraw/zinc/83/85/12/710838512.db2.gz UMSTXJSGKNBVRG-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP Cc1n[nH]c(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)n1 ZINC000392449217 711147013 /nfs/dbraw/zinc/14/70/13/711147013.db2.gz IWNQSYNGKZDGJV-CXWACVEQSA-N 2 2 247.346 0.242 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000396715970 711366672 /nfs/dbraw/zinc/36/66/72/711366672.db2.gz OHVPCCOUFYIUOW-MVWJERBFSA-N 2 2 212.337 0.878 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC000396731645 711368598 /nfs/dbraw/zinc/36/85/98/711368598.db2.gz YVLJYXYBUXPPHB-GXSJLCMTSA-N 2 2 225.336 0.243 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC000396731650 711369127 /nfs/dbraw/zinc/36/91/27/711369127.db2.gz YVLJYXYBUXPPHB-MWLCHTKSSA-N 2 2 225.336 0.243 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCNC(=O)C1CC1 ZINC000396731647 711369450 /nfs/dbraw/zinc/36/94/50/711369450.db2.gz YVLJYXYBUXPPHB-KOLCDFICSA-N 2 2 225.336 0.243 20 0 BCADLP COC[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000309064400 711661263 /nfs/dbraw/zinc/66/12/63/711661263.db2.gz YGXQCCGUGZQDQK-BDAKNGLRSA-N 2 2 222.279 0.937 20 0 BCADLP COC[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000309064400 711661264 /nfs/dbraw/zinc/66/12/64/711661264.db2.gz YGXQCCGUGZQDQK-BDAKNGLRSA-N 2 2 222.279 0.937 20 0 BCADLP C[C@H]([NH2+]CCn1cc[nH+]c1)C(C)(C)CO ZINC000924554214 711668096 /nfs/dbraw/zinc/66/80/96/711668096.db2.gz UZJZBWNYGMBRQS-JTQLQIEISA-N 2 2 211.309 0.880 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCC1(C)OCCO1 ZINC000393740428 711677172 /nfs/dbraw/zinc/67/71/72/711677172.db2.gz BIAWCBBMBCVITO-WDEREUQCSA-N 2 2 228.336 0.679 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC1(C)OCCO1 ZINC000393740428 711677175 /nfs/dbraw/zinc/67/71/75/711677175.db2.gz BIAWCBBMBCVITO-WDEREUQCSA-N 2 2 228.336 0.679 20 0 BCADLP CN1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)CC1=O ZINC000925593713 711704269 /nfs/dbraw/zinc/70/42/69/711704269.db2.gz IFMXSMPIIFCGGH-MNOVXSKESA-N 2 2 237.347 0.481 20 0 BCADLP Cc1cc(C)n(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)n1 ZINC000931278115 711709507 /nfs/dbraw/zinc/70/95/07/711709507.db2.gz YEUWHCPKEGNYNA-WDNDVIMCSA-N 2 2 248.374 0.992 20 0 BCADLP Cc1cc(C)n(CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)n1 ZINC000931278115 711709509 /nfs/dbraw/zinc/70/95/09/711709509.db2.gz YEUWHCPKEGNYNA-WDNDVIMCSA-N 2 2 248.374 0.992 20 0 BCADLP CC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027245092 711717108 /nfs/dbraw/zinc/71/71/08/711717108.db2.gz LDOKKCHLWLGSOQ-LLVKDONJSA-N 2 2 236.319 0.341 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925787924 711751710 /nfs/dbraw/zinc/75/17/10/711751710.db2.gz WXJVFQKPNKJKTD-WRWGMCAJSA-N 3 2 223.364 0.701 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925787918 711751985 /nfs/dbraw/zinc/75/19/85/711751985.db2.gz WXJVFQKPNKJKTD-NOOOWODRSA-N 3 2 223.364 0.701 20 0 BCADLP C[C@@H]([NH2+]CCO[C@@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000925875597 711761594 /nfs/dbraw/zinc/76/15/94/711761594.db2.gz VDAWFQCAPFRWDJ-JHJVBQTASA-N 2 2 242.363 0.912 20 0 BCADLP Cn1c[nH+]cc1CC(=O)N1CC([NH+]2CCCC2)C1 ZINC000898604310 711802064 /nfs/dbraw/zinc/80/20/64/711802064.db2.gz WTLRQLPESXISGH-UHFFFAOYSA-N 2 2 248.330 0.269 20 0 BCADLP CC(=O)N1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000700404832 711991909 /nfs/dbraw/zinc/99/19/09/711991909.db2.gz WBWGDRAXAMPLIK-ZDUSSCGKSA-N 2 2 239.363 0.540 20 0 BCADLP CCO[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000701671171 712026345 /nfs/dbraw/zinc/02/63/45/712026345.db2.gz DJCXWOMBMBLUBA-OLZOCXBDSA-N 2 2 242.363 0.552 20 0 BCADLP CCO[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000701671171 712026346 /nfs/dbraw/zinc/02/63/46/712026346.db2.gz DJCXWOMBMBLUBA-OLZOCXBDSA-N 2 2 242.363 0.552 20 0 BCADLP CCO[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000701671171 712026350 /nfs/dbraw/zinc/02/63/50/712026350.db2.gz DJCXWOMBMBLUBA-OLZOCXBDSA-N 2 2 242.363 0.552 20 0 BCADLP CCO[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000701671171 712026351 /nfs/dbraw/zinc/02/63/51/712026351.db2.gz DJCXWOMBMBLUBA-OLZOCXBDSA-N 2 2 242.363 0.552 20 0 BCADLP CNc1cc(N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)nc[nH+]1 ZINC000702432667 712053173 /nfs/dbraw/zinc/05/31/73/712053173.db2.gz ZVIHCDXTSGZCJO-GXFFZTMASA-N 2 2 247.346 0.906 20 0 BCADLP CNc1cc(N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)nc[nH+]1 ZINC000702432667 712053175 /nfs/dbraw/zinc/05/31/75/712053175.db2.gz ZVIHCDXTSGZCJO-GXFFZTMASA-N 2 2 247.346 0.906 20 0 BCADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000702572611 712055539 /nfs/dbraw/zinc/05/55/39/712055539.db2.gz GZBAPKLPZWUKCT-GXTWGEPZSA-N 2 2 247.342 0.725 20 0 BCADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000702572611 712055541 /nfs/dbraw/zinc/05/55/41/712055541.db2.gz GZBAPKLPZWUKCT-GXTWGEPZSA-N 2 2 247.342 0.725 20 0 BCADLP Cc1nc(N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc[nH+]1 ZINC000703537855 712078818 /nfs/dbraw/zinc/07/88/18/712078818.db2.gz CFCKOXKQIVGDLG-CMPLNLGQSA-N 2 2 218.304 0.831 20 0 BCADLP C[N@@H+](Cc1ccc(N)nn1)C[C@@H]1CC[NH+](C)C1 ZINC000703952753 712092755 /nfs/dbraw/zinc/09/27/55/712092755.db2.gz QTCUZFYHVHQUJL-SNVBAGLBSA-N 2 2 235.335 0.442 20 0 BCADLP C[N@H+](Cc1ccc(N)nn1)C[C@@H]1CC[NH+](C)C1 ZINC000703952753 712092756 /nfs/dbraw/zinc/09/27/56/712092756.db2.gz QTCUZFYHVHQUJL-SNVBAGLBSA-N 2 2 235.335 0.442 20 0 BCADLP C[NH+](Cc1ccc(N)nn1)C[C@@H]1CC[N@H+](C)C1 ZINC000703952753 712092757 /nfs/dbraw/zinc/09/27/57/712092757.db2.gz QTCUZFYHVHQUJL-SNVBAGLBSA-N 2 2 235.335 0.442 20 0 BCADLP C[NH+](Cc1ccc(N)nn1)C[C@@H]1CC[N@@H+](C)C1 ZINC000703952753 712092759 /nfs/dbraw/zinc/09/27/59/712092759.db2.gz QTCUZFYHVHQUJL-SNVBAGLBSA-N 2 2 235.335 0.442 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705629495 712133616 /nfs/dbraw/zinc/13/36/16/712133616.db2.gz OVQLCBBFBJVKOT-WCFLWFBJSA-N 2 2 239.363 0.524 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705629495 712133618 /nfs/dbraw/zinc/13/36/18/712133618.db2.gz OVQLCBBFBJVKOT-WCFLWFBJSA-N 2 2 239.363 0.524 20 0 BCADLP CC[C@@H](C(N)=O)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000705629495 712133620 /nfs/dbraw/zinc/13/36/20/712133620.db2.gz OVQLCBBFBJVKOT-WCFLWFBJSA-N 2 2 239.363 0.524 20 0 BCADLP CC[C@@H](C(N)=O)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000705629495 712133622 /nfs/dbraw/zinc/13/36/22/712133622.db2.gz OVQLCBBFBJVKOT-WCFLWFBJSA-N 2 2 239.363 0.524 20 0 BCADLP C[N@H+](CCn1cccn1)C[C@H]([NH3+])CC(F)F ZINC000707397188 712170352 /nfs/dbraw/zinc/17/03/52/712170352.db2.gz SMZVJABDQRPFBB-SECBINFHSA-N 2 2 232.278 0.797 20 0 BCADLP C[N@@H+](CCn1cccn1)C[C@H]([NH3+])CC(F)F ZINC000707397188 712170354 /nfs/dbraw/zinc/17/03/54/712170354.db2.gz SMZVJABDQRPFBB-SECBINFHSA-N 2 2 232.278 0.797 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ncc[nH]3)C[C@@H]2C1 ZINC000709059750 712206579 /nfs/dbraw/zinc/20/65/79/712206579.db2.gz JCLVZMLUEXKHOJ-MNOVXSKESA-N 2 2 220.320 0.793 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ncc[nH]3)C[C@@H]2C1 ZINC000709059750 712206580 /nfs/dbraw/zinc/20/65/80/712206580.db2.gz JCLVZMLUEXKHOJ-MNOVXSKESA-N 2 2 220.320 0.793 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ncc[nH]3)C[C@@H]2C1 ZINC000709059750 712206582 /nfs/dbraw/zinc/20/65/82/712206582.db2.gz JCLVZMLUEXKHOJ-MNOVXSKESA-N 2 2 220.320 0.793 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ncc[nH]3)C[C@@H]2C1 ZINC000709059750 712206583 /nfs/dbraw/zinc/20/65/83/712206583.db2.gz JCLVZMLUEXKHOJ-MNOVXSKESA-N 2 2 220.320 0.793 20 0 BCADLP CC1(C)C[NH2+]C[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000711331101 712295048 /nfs/dbraw/zinc/29/50/48/712295048.db2.gz LZTOTYJLFPTNME-SNVBAGLBSA-N 2 2 236.319 0.245 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CF)C1 ZINC000711449832 712301668 /nfs/dbraw/zinc/30/16/68/712301668.db2.gz HRAVPQRIPHQXKL-VXGBXAGGSA-N 2 2 232.343 0.981 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CF)C1 ZINC000711449832 712301671 /nfs/dbraw/zinc/30/16/71/712301671.db2.gz HRAVPQRIPHQXKL-VXGBXAGGSA-N 2 2 232.343 0.981 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](CF)C1 ZINC000711449832 712301673 /nfs/dbraw/zinc/30/16/73/712301673.db2.gz HRAVPQRIPHQXKL-VXGBXAGGSA-N 2 2 232.343 0.981 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](CF)C1 ZINC000711449832 712301676 /nfs/dbraw/zinc/30/16/76/712301676.db2.gz HRAVPQRIPHQXKL-VXGBXAGGSA-N 2 2 232.343 0.981 20 0 BCADLP CC[NH+]1CCC(NC[C@H]2CC[N@H+]2C)CC1 ZINC000712613934 712437902 /nfs/dbraw/zinc/43/79/02/712437902.db2.gz PSWKKSBGEGMUPF-GFCCVEGCSA-N 2 2 211.353 0.764 20 0 BCADLP CCN1CC[C@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000712576968 712448080 /nfs/dbraw/zinc/44/80/80/712448080.db2.gz COHMWTPILNNNBQ-QWHCGFSZSA-N 2 2 241.379 0.127 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713184051 712453989 /nfs/dbraw/zinc/45/39/89/712453989.db2.gz GZBRWYMEZQPJCH-NOHGZBONSA-N 2 2 248.330 0.515 20 0 BCADLP CCn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)nn1 ZINC000714434891 712486590 /nfs/dbraw/zinc/48/65/90/712486590.db2.gz OIYYVXFYSPGYOV-UHTWSYAYSA-N 2 2 249.362 0.857 20 0 BCADLP CCn1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)nn1 ZINC000714434891 712486592 /nfs/dbraw/zinc/48/65/92/712486592.db2.gz OIYYVXFYSPGYOV-UHTWSYAYSA-N 2 2 249.362 0.857 20 0 BCADLP CCn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)nn1 ZINC000714434871 712486669 /nfs/dbraw/zinc/48/66/69/712486669.db2.gz OIYYVXFYSPGYOV-CYZMBNFOSA-N 2 2 249.362 0.857 20 0 BCADLP CCn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)nn1 ZINC000714434871 712486671 /nfs/dbraw/zinc/48/66/71/712486671.db2.gz OIYYVXFYSPGYOV-CYZMBNFOSA-N 2 2 249.362 0.857 20 0 BCADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C[NH3+] ZINC000036999250 712528951 /nfs/dbraw/zinc/52/89/51/712528951.db2.gz NXGDNXUVDXKEJI-VIFPVBQESA-N 2 2 224.308 0.373 20 0 BCADLP C[NH2+]CC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000036999282 712528960 /nfs/dbraw/zinc/52/89/60/712528960.db2.gz WHWDZHDDUYYBRT-JTQLQIEISA-N 2 2 238.335 0.633 20 0 BCADLP Cc1cn[nH]c1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000716454118 712561914 /nfs/dbraw/zinc/56/19/14/712561914.db2.gz VAYXMWBKZBVKIU-NXEZZACHSA-N 2 2 208.309 0.934 20 0 BCADLP Cc1c[nH]nc1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000716454118 712561915 /nfs/dbraw/zinc/56/19/15/712561915.db2.gz VAYXMWBKZBVKIU-NXEZZACHSA-N 2 2 208.309 0.934 20 0 BCADLP C[C@@H]([NH2+]CC1(C)OCCO1)[C@H]1CCC[NH2+]1 ZINC000716903181 712581150 /nfs/dbraw/zinc/58/11/50/712581150.db2.gz JFIXLTYJGLCDNG-NXEZZACHSA-N 2 2 214.309 0.480 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000826984701 712592952 /nfs/dbraw/zinc/59/29/52/712592952.db2.gz OKZHSOORHCLIFF-GXSJLCMTSA-N 2 2 240.282 0.089 20 0 BCADLP Cc1[nH]c(C[N@H+]2C[C@H](C)[C@H](O)C2)c(C)[nH+]1 ZINC000930163220 712616008 /nfs/dbraw/zinc/61/60/08/712616008.db2.gz RFNVOGBNLFYPPS-WRWORJQWSA-N 2 2 209.293 0.839 20 0 BCADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1(Cl)CC1 ZINC000717308333 712646251 /nfs/dbraw/zinc/64/62/51/712646251.db2.gz OXDYVFZAGWHXOB-IUCAKERBSA-N 2 2 220.744 0.658 20 0 BCADLP CC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717428366 712657547 /nfs/dbraw/zinc/65/75/47/712657547.db2.gz YKNSDLVLBZFICJ-WOPDTQHZSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717428366 712657549 /nfs/dbraw/zinc/65/75/49/712657549.db2.gz YKNSDLVLBZFICJ-WOPDTQHZSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000717428366 712657551 /nfs/dbraw/zinc/65/75/51/712657551.db2.gz YKNSDLVLBZFICJ-WOPDTQHZSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000717428366 712657552 /nfs/dbraw/zinc/65/75/52/712657552.db2.gz YKNSDLVLBZFICJ-WOPDTQHZSA-N 2 2 212.337 0.926 20 0 BCADLP OC[C@H](CC(F)F)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000717826261 712682091 /nfs/dbraw/zinc/68/20/91/712682091.db2.gz VVRNIKQCCOFNJR-YAZVNUIRSA-N 2 2 246.301 0.589 20 0 BCADLP C[C@H](O)CC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000720352871 712833044 /nfs/dbraw/zinc/83/30/44/712833044.db2.gz RIISWOXWOQHTLK-SRVKXCTJSA-N 2 2 212.337 0.926 20 0 BCADLP C[C@H](O)CC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000720352871 712833045 /nfs/dbraw/zinc/83/30/45/712833045.db2.gz RIISWOXWOQHTLK-SRVKXCTJSA-N 2 2 212.337 0.926 20 0 BCADLP C[C@H](O)CC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720352871 712833046 /nfs/dbraw/zinc/83/30/46/712833046.db2.gz RIISWOXWOQHTLK-SRVKXCTJSA-N 2 2 212.337 0.926 20 0 BCADLP C[C@H](O)CC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720352871 712833047 /nfs/dbraw/zinc/83/30/47/712833047.db2.gz RIISWOXWOQHTLK-SRVKXCTJSA-N 2 2 212.337 0.926 20 0 BCADLP CCOC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720709294 712862055 /nfs/dbraw/zinc/86/20/55/712862055.db2.gz AZXUNRCSKZIALD-NXEZZACHSA-N 2 2 216.325 0.053 20 0 BCADLP CCOC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720709294 712862057 /nfs/dbraw/zinc/86/20/57/712862057.db2.gz AZXUNRCSKZIALD-NXEZZACHSA-N 2 2 216.325 0.053 20 0 BCADLP CCOC[C@@H](O)C[N@H+](CC[NH2+]C)C(C)C ZINC000720750217 712863724 /nfs/dbraw/zinc/86/37/24/712863724.db2.gz WSWPOFQKASELHC-NSHDSACASA-N 2 2 218.341 0.314 20 0 BCADLP CCOC[C@@H](O)C[N@@H+](CC[NH2+]C)C(C)C ZINC000720750217 712863727 /nfs/dbraw/zinc/86/37/27/712863727.db2.gz WSWPOFQKASELHC-NSHDSACASA-N 2 2 218.341 0.314 20 0 BCADLP C[NH2+]CCN(Cc1c[nH+]cn1C)C(C)C ZINC000720770881 712864882 /nfs/dbraw/zinc/86/48/82/712864882.db2.gz RPUNXZFNRVOWSB-UHFFFAOYSA-N 2 2 210.325 0.850 20 0 BCADLP Cc1c[nH+]c(N2CCN3CC[NH2+]C[C@@H]3C2)cc1C ZINC001164404955 718841242 /nfs/dbraw/zinc/84/12/42/718841242.db2.gz NSNZMLODGWOCPL-CYBMUJFWSA-N 2 2 246.358 0.792 20 0 BCADLP COc1cc[nH+]c(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC001164667574 719371660 /nfs/dbraw/zinc/37/16/60/719371660.db2.gz KNHZCWSQRYJWAL-NWDGAFQWSA-N 2 2 249.314 0.609 20 0 BCADLP COc1cc[nH+]c(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC001164667574 719371662 /nfs/dbraw/zinc/37/16/62/719371662.db2.gz KNHZCWSQRYJWAL-NWDGAFQWSA-N 2 2 249.314 0.609 20 0 BCADLP COc1cc[nH+]c(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC001164667576 719372085 /nfs/dbraw/zinc/37/20/85/719372085.db2.gz KNHZCWSQRYJWAL-VXGBXAGGSA-N 2 2 249.314 0.609 20 0 BCADLP COc1cc[nH+]c(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC001164667576 719372087 /nfs/dbraw/zinc/37/20/87/719372087.db2.gz KNHZCWSQRYJWAL-VXGBXAGGSA-N 2 2 249.314 0.609 20 0 BCADLP CCC(CC)(C[NH3+])C(=O)NCc1[nH]cc[nH+]1 ZINC000070646424 168322831 /nfs/dbraw/zinc/32/28/31/168322831.db2.gz VBIXWTYWNSJMRX-UHFFFAOYSA-N 2 2 224.308 0.791 20 0 BCADLP C[NH2+]Cc1noc(C[C@H]2CCC[NH2+]C2)n1 ZINC000258117815 349492856 /nfs/dbraw/zinc/49/28/56/349492856.db2.gz TXAOOAYGVXMYKE-MRVPVSSYSA-N 2 2 210.281 0.331 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649320715 398144163 /nfs/dbraw/zinc/14/41/63/398144163.db2.gz YUOXKRXMEJKRLQ-IEBDPFPHSA-N 2 2 217.272 0.501 20 0 BCADLP CC(C)[C@H](CO)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336691116 187321765 /nfs/dbraw/zinc/32/17/65/187321765.db2.gz PDBZRTDKDNOHDZ-MXWKQRLJSA-N 2 2 200.326 0.543 20 0 BCADLP CC(C)[C@H](CO)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336691116 187321766 /nfs/dbraw/zinc/32/17/66/187321766.db2.gz PDBZRTDKDNOHDZ-MXWKQRLJSA-N 2 2 200.326 0.543 20 0 BCADLP COC[C@]1(C)C[N@H+](CCn2cc[nH+]c2)CCO1 ZINC000626176188 346816629 /nfs/dbraw/zinc/81/66/29/346816629.db2.gz HLIBOWYZPAVOLU-LBPRGKRZSA-N 2 2 239.319 0.620 20 0 BCADLP COC[C@]1(C)C[N@@H+](CCn2cc[nH+]c2)CCO1 ZINC000626176188 346816633 /nfs/dbraw/zinc/81/66/33/346816633.db2.gz HLIBOWYZPAVOLU-LBPRGKRZSA-N 2 2 239.319 0.620 20 0 BCADLP COCCOCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422907609 398157008 /nfs/dbraw/zinc/15/70/08/398157008.db2.gz XFHDEHJLJFCDOK-MNOVXSKESA-N 2 2 216.325 0.237 20 0 BCADLP Cc1cc(C[NH2+]CCC[NH2+]C2CC2)nn1C ZINC000300827474 178019877 /nfs/dbraw/zinc/01/98/77/178019877.db2.gz DWMLZYYZKFYRSI-UHFFFAOYSA-N 2 2 222.336 0.960 20 0 BCADLP C[NH+](C)[C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000558643731 398183148 /nfs/dbraw/zinc/18/31/48/398183148.db2.gz RTOODMHTLRJJOS-LLVKDONJSA-N 2 2 236.319 0.340 20 0 BCADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CCn1cc[nH+]c1 ZINC000277466198 398175656 /nfs/dbraw/zinc/17/56/56/398175656.db2.gz JGWFZHJFHSVNOR-WDEREUQCSA-N 2 2 236.319 0.482 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]C[C@@H](C)COC ZINC000188543627 346819073 /nfs/dbraw/zinc/81/90/73/346819073.db2.gz LXGULNNLEZIYKS-LLVKDONJSA-N 2 2 218.341 0.173 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]C[C@@H](C)COC ZINC000188543627 346819077 /nfs/dbraw/zinc/81/90/77/346819077.db2.gz LXGULNNLEZIYKS-LLVKDONJSA-N 2 2 218.341 0.173 20 0 BCADLP CC1(C)NC(=O)CC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000338591145 187326915 /nfs/dbraw/zinc/32/69/15/187326915.db2.gz CMAXFOZJDQKKJJ-NSHDSACASA-N 2 2 239.363 0.729 20 0 BCADLP Cc1cc(NC(=O)CC[N@@H+]2CC[C@H]([NH3+])C2)no1 ZINC000050242568 178128570 /nfs/dbraw/zinc/12/85/70/178128570.db2.gz QIALPYYSVRQZLA-VIFPVBQESA-N 2 2 238.291 0.345 20 0 BCADLP Cc1cc(NC(=O)CC[N@H+]2CC[C@H]([NH3+])C2)no1 ZINC000050242568 178128572 /nfs/dbraw/zinc/12/85/72/178128572.db2.gz QIALPYYSVRQZLA-VIFPVBQESA-N 2 2 238.291 0.345 20 0 BCADLP Cc1[nH+]cccc1Cn1cc(CC[NH3+])nn1 ZINC000380679042 398205461 /nfs/dbraw/zinc/20/54/61/398205461.db2.gz FOYCFWZJZRRDIS-UHFFFAOYSA-N 2 2 217.276 0.531 20 0 BCADLP Cc1cc(NC(=O)C[NH2+]CC2([NH3+])CCC2)on1 ZINC000342135715 178133248 /nfs/dbraw/zinc/13/32/48/178133248.db2.gz LCLPLTYNFVCKJT-UHFFFAOYSA-N 2 2 238.291 0.393 20 0 BCADLP Cc1cc(NC(=O)C[C@H]2C[NH2+]CCO2)cc[nH+]1 ZINC000092349847 178134240 /nfs/dbraw/zinc/13/42/40/178134240.db2.gz YDXLTLWIFNRYNF-NSHDSACASA-N 2 2 235.287 0.707 20 0 BCADLP Cc1cc(NC(=O)C[C@H]2COCC[NH2+]2)cc[nH+]1 ZINC000129348729 178134746 /nfs/dbraw/zinc/13/47/46/178134746.db2.gz HRFHRFFYVWVMBO-NSHDSACASA-N 2 2 235.287 0.707 20 0 BCADLP Cc1cc(NC(=O)[C@H]2C[N@H+](C)CCO2)cc[nH+]1 ZINC000081386624 178148522 /nfs/dbraw/zinc/14/85/22/178148522.db2.gz HAZPYXLHWLCUQN-LLVKDONJSA-N 2 2 235.287 0.659 20 0 BCADLP Cc1cc(NC(=O)[C@H]2C[N@@H+](C)CCO2)cc[nH+]1 ZINC000081386624 178148524 /nfs/dbraw/zinc/14/85/24/178148524.db2.gz HAZPYXLHWLCUQN-LLVKDONJSA-N 2 2 235.287 0.659 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H](CO)CC(F)F ZINC000336767386 136221289 /nfs/dbraw/zinc/22/12/89/136221289.db2.gz SZZYSILKFKMHIZ-IWSPIJDZSA-N 2 2 222.279 0.542 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H](CO)CC(F)F ZINC000336767386 136221290 /nfs/dbraw/zinc/22/12/90/136221290.db2.gz SZZYSILKFKMHIZ-IWSPIJDZSA-N 2 2 222.279 0.542 20 0 BCADLP CCn1cc(C[N@H+](C)C[C@H]2CC[NH2+]C2)cn1 ZINC000649413544 398212064 /nfs/dbraw/zinc/21/20/64/398212064.db2.gz HMAQSYUZJKDVTE-NSHDSACASA-N 2 2 222.336 0.944 20 0 BCADLP CCn1cc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)cn1 ZINC000649413544 398212066 /nfs/dbraw/zinc/21/20/66/398212066.db2.gz HMAQSYUZJKDVTE-NSHDSACASA-N 2 2 222.336 0.944 20 0 BCADLP Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC[NH3+] ZINC000649414317 398212968 /nfs/dbraw/zinc/21/29/68/398212968.db2.gz STTBLUSOHZJHDA-LLVKDONJSA-N 2 2 208.309 0.824 20 0 BCADLP Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC[NH3+] ZINC000649414317 398212969 /nfs/dbraw/zinc/21/29/69/398212969.db2.gz STTBLUSOHZJHDA-LLVKDONJSA-N 2 2 208.309 0.824 20 0 BCADLP Cc1cc(NC[C@@](C)(O)C[NH+](C)C)nc[nH+]1 ZINC000132929341 178166474 /nfs/dbraw/zinc/16/64/74/178166474.db2.gz JZDAZPNUNBKDHQ-LLVKDONJSA-N 2 2 224.308 0.510 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@H]1COC(C)(C)C1 ZINC000396908079 262826166 /nfs/dbraw/zinc/82/61/66/262826166.db2.gz BEOFYLZEELLGKN-LLVKDONJSA-N 2 2 230.352 0.722 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@H]1COC(C)(C)C1 ZINC000396908079 262826167 /nfs/dbraw/zinc/82/61/67/262826167.db2.gz BEOFYLZEELLGKN-LLVKDONJSA-N 2 2 230.352 0.722 20 0 BCADLP CC[N@H+](CC[NH3+])CCn1nc(C)cc1C ZINC000386800113 398220315 /nfs/dbraw/zinc/22/03/15/398220315.db2.gz PWJJBAOBLFMTGJ-UHFFFAOYSA-N 2 2 210.325 0.781 20 0 BCADLP CC[N@@H+](CC[NH3+])CCn1nc(C)cc1C ZINC000386800113 398220317 /nfs/dbraw/zinc/22/03/17/398220317.db2.gz PWJJBAOBLFMTGJ-UHFFFAOYSA-N 2 2 210.325 0.781 20 0 BCADLP CC(C)(C[NH3+])NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000262519096 187331346 /nfs/dbraw/zinc/33/13/46/187331346.db2.gz VIBWZKUMPBDJOR-UHFFFAOYSA-N 2 2 246.314 0.730 20 0 BCADLP C[C@@H](CC[NH+](C)C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000276420448 538932379 /nfs/dbraw/zinc/93/23/79/538932379.db2.gz JSVBXBVCPDANSZ-JTQLQIEISA-N 2 2 238.335 0.799 20 0 BCADLP C[C@@H](CC[NH+](C)C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000276420448 538932381 /nfs/dbraw/zinc/93/23/81/538932381.db2.gz JSVBXBVCPDANSZ-JTQLQIEISA-N 2 2 238.335 0.799 20 0 BCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N(C)CC1CC1 ZINC000430572402 398228951 /nfs/dbraw/zinc/22/89/51/398228951.db2.gz JUVCITHYZFBRBU-ZDUSSCGKSA-N 2 2 241.379 0.818 20 0 BCADLP Cn1cc(C[NH2+][C@](C)(C[NH3+])C2CC2)cn1 ZINC000430573931 398229255 /nfs/dbraw/zinc/22/92/55/398229255.db2.gz NFHYGZJIODQGJC-LLVKDONJSA-N 2 2 208.309 0.637 20 0 BCADLP CNC(=O)c1cccc(C[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC000430568630 398229284 /nfs/dbraw/zinc/22/92/84/398229284.db2.gz GAQXHBUHHBEUIK-ZDUSSCGKSA-N 2 2 247.342 0.969 20 0 BCADLP CNC(=O)c1cccc(C[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC000430568630 398229288 /nfs/dbraw/zinc/22/92/88/398229288.db2.gz GAQXHBUHHBEUIK-ZDUSSCGKSA-N 2 2 247.342 0.969 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](OC)C1 ZINC000381178489 398232993 /nfs/dbraw/zinc/23/29/93/398232993.db2.gz VQYCHVIRTCJLSH-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](OC)C1 ZINC000381178489 398232995 /nfs/dbraw/zinc/23/29/95/398232995.db2.gz VQYCHVIRTCJLSH-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](OC)C1 ZINC000381178489 398232998 /nfs/dbraw/zinc/23/29/98/398232998.db2.gz VQYCHVIRTCJLSH-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](OC)C1 ZINC000381178489 398233001 /nfs/dbraw/zinc/23/30/01/398233001.db2.gz VQYCHVIRTCJLSH-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP C[C@@]([NH2+]C[C@H]1CC[NH2+]C1)(C(N)=O)c1ccccc1 ZINC000647992053 398243760 /nfs/dbraw/zinc/24/37/60/398243760.db2.gz ZMBSHULVIKYZTL-FZMZJTMJSA-N 2 2 247.342 0.586 20 0 BCADLP C[C@]([NH2+]C[C@@H]1CC[NH2+]C1)(C(N)=O)c1ccccc1 ZINC000647992052 398243773 /nfs/dbraw/zinc/24/37/73/398243773.db2.gz ZMBSHULVIKYZTL-BXUZGUMPSA-N 2 2 247.342 0.586 20 0 BCADLP C[NH2+][C@@H]1CCCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000575783208 398240902 /nfs/dbraw/zinc/24/09/02/398240902.db2.gz QMHBHUGFDRLEAK-SSDOTTSWSA-N 2 2 241.726 0.900 20 0 BCADLP COc1cccc(C[N@H+](C)C[C@H](O)C[NH3+])c1F ZINC000310591507 488176637 /nfs/dbraw/zinc/17/66/37/488176637.db2.gz ZNROBXVRLJNNNO-SNVBAGLBSA-N 2 2 242.294 0.586 20 0 BCADLP COc1cccc(C[N@@H+](C)C[C@H](O)C[NH3+])c1F ZINC000310591507 488176643 /nfs/dbraw/zinc/17/66/43/488176643.db2.gz ZNROBXVRLJNNNO-SNVBAGLBSA-N 2 2 242.294 0.586 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000390771419 398246239 /nfs/dbraw/zinc/24/62/39/398246239.db2.gz WINNLCPGBVQJHJ-NWDGAFQWSA-N 3 2 211.353 0.527 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000390771419 398246242 /nfs/dbraw/zinc/24/62/42/398246242.db2.gz WINNLCPGBVQJHJ-NWDGAFQWSA-N 3 2 211.353 0.527 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H](C)C[C@H](C)[NH3+])c[nH+]1 ZINC000576755908 365677915 /nfs/dbraw/zinc/67/79/15/365677915.db2.gz CCFIUDREMFGWCM-BQBZGAKWSA-N 2 2 210.281 0.574 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CC[C@@H](C)O)C1 ZINC000379914126 365666188 /nfs/dbraw/zinc/66/61/88/365666188.db2.gz ARRWDJOQFBXTPF-GHMZBOCLSA-N 2 2 216.325 0.068 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+]CC[C@@H](C)O)C1 ZINC000379914126 365666193 /nfs/dbraw/zinc/66/61/93/365666193.db2.gz ARRWDJOQFBXTPF-GHMZBOCLSA-N 2 2 216.325 0.068 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H](C)C[C@@H](C)[NH3+])c[nH+]1 ZINC000576755912 365677943 /nfs/dbraw/zinc/67/79/43/365677943.db2.gz CCFIUDREMFGWCM-RNFRBKRXSA-N 2 2 210.281 0.574 20 0 BCADLP c1c[nH+]c(Cn2cc(C[NH2+]C3CC3)nn2)[nH]1 ZINC000381503691 398260408 /nfs/dbraw/zinc/26/04/08/398260408.db2.gz DJWCELPGXJWBJL-UHFFFAOYSA-N 2 2 218.264 0.302 20 0 BCADLP C[C@@H](O)[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000166070019 361848048 /nfs/dbraw/zinc/84/80/48/361848048.db2.gz MYHPBQCHVHHCMF-GHMZBOCLSA-N 2 2 209.293 0.586 20 0 BCADLP C[C@@H](O)[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000166070019 361848052 /nfs/dbraw/zinc/84/80/52/361848052.db2.gz MYHPBQCHVHHCMF-GHMZBOCLSA-N 2 2 209.293 0.586 20 0 BCADLP CSC[C@H]1CCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000400007449 398290226 /nfs/dbraw/zinc/29/02/26/398290226.db2.gz SPSWSKOCLROYCW-GHMZBOCLSA-N 2 2 230.377 0.802 20 0 BCADLP CSC[C@H]1CCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000400007449 398290228 /nfs/dbraw/zinc/29/02/28/398290228.db2.gz SPSWSKOCLROYCW-GHMZBOCLSA-N 2 2 230.377 0.802 20 0 BCADLP CC(C)CNC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000036301433 342809064 /nfs/dbraw/zinc/80/90/64/342809064.db2.gz XPUXSCDQEHHICJ-UHFFFAOYSA-N 2 2 227.352 0.442 20 0 BCADLP CC(C)CNC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000036301433 342809065 /nfs/dbraw/zinc/80/90/65/342809065.db2.gz XPUXSCDQEHHICJ-UHFFFAOYSA-N 2 2 227.352 0.442 20 0 BCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000336468363 342806599 /nfs/dbraw/zinc/80/65/99/342806599.db2.gz GFOSSECLYOOCPK-LBPRGKRZSA-N 2 2 239.363 0.635 20 0 BCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000336468363 342806601 /nfs/dbraw/zinc/80/66/01/342806601.db2.gz GFOSSECLYOOCPK-LBPRGKRZSA-N 2 2 239.363 0.635 20 0 BCADLP Cc1c[nH]nc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000380279682 538988760 /nfs/dbraw/zinc/98/87/60/538988760.db2.gz YRAURVBYUHNXOJ-NXEZZACHSA-N 2 2 206.293 0.369 20 0 BCADLP OCCC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCOC2)C1 ZINC000449394584 398294611 /nfs/dbraw/zinc/29/46/11/398294611.db2.gz GRCBWHWCWXVWKQ-CHWSQXEVSA-N 2 2 242.363 0.602 20 0 BCADLP OCCC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCOC2)C1 ZINC000449394584 398294613 /nfs/dbraw/zinc/29/46/13/398294613.db2.gz GRCBWHWCWXVWKQ-CHWSQXEVSA-N 2 2 242.363 0.602 20 0 BCADLP OCCC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCOC2)C1 ZINC000449394785 398294902 /nfs/dbraw/zinc/29/49/02/398294902.db2.gz GRCBWHWCWXVWKQ-OLZOCXBDSA-N 2 2 242.363 0.602 20 0 BCADLP OCCC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCOC2)C1 ZINC000449394785 398294903 /nfs/dbraw/zinc/29/49/03/398294903.db2.gz GRCBWHWCWXVWKQ-OLZOCXBDSA-N 2 2 242.363 0.602 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000381419402 539000293 /nfs/dbraw/zinc/00/02/93/539000293.db2.gz VLBRHPXZBJPARA-ONGXEEELSA-N 2 2 225.336 0.324 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000381419402 539000294 /nfs/dbraw/zinc/00/02/94/539000294.db2.gz VLBRHPXZBJPARA-ONGXEEELSA-N 2 2 225.336 0.324 20 0 BCADLP Cc1cnn(C)c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000390657866 539027050 /nfs/dbraw/zinc/02/70/50/539027050.db2.gz RHUNPPDVBNDVBY-GHMZBOCLSA-N 2 2 220.320 0.380 20 0 BCADLP Cc1cnn(C)c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000390657868 539027092 /nfs/dbraw/zinc/02/70/92/539027092.db2.gz RHUNPPDVBNDVBY-QWRGUYRKSA-N 2 2 220.320 0.380 20 0 BCADLP c1c[nH+]c(Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)[nH]1 ZINC000640754637 361992271 /nfs/dbraw/zinc/99/22/71/361992271.db2.gz MPFMIASVBOTZOU-SNVBAGLBSA-N 2 2 246.318 0.592 20 0 BCADLP CC(C)(C)CNC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000625102161 342856292 /nfs/dbraw/zinc/85/62/92/342856292.db2.gz XBJJPIJQJNHAQR-PHIMTYICSA-N 2 2 239.363 0.300 20 0 BCADLP CC(C)(C)CNC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000625102161 342856294 /nfs/dbraw/zinc/85/62/94/342856294.db2.gz XBJJPIJQJNHAQR-PHIMTYICSA-N 2 2 239.363 0.300 20 0 BCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCC[C@H]1O ZINC000333784435 398317160 /nfs/dbraw/zinc/31/71/60/398317160.db2.gz FDEHLRBYMNBKLQ-WUHRBBMRSA-N 2 2 242.363 0.647 20 0 BCADLP COC(=O)CCC[NH+]1CCC([NH+](C)C)CC1 ZINC000036192533 342896100 /nfs/dbraw/zinc/89/61/00/342896100.db2.gz TYHHULILYORESZ-UHFFFAOYSA-N 2 2 228.336 0.966 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)C)C[C@H]1C ZINC000351518116 136246340 /nfs/dbraw/zinc/24/63/40/136246340.db2.gz LAZUFZQVPLFALP-VXGBXAGGSA-N 2 2 241.379 0.879 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)C)C[C@H]1C ZINC000351518116 136246341 /nfs/dbraw/zinc/24/63/41/136246341.db2.gz LAZUFZQVPLFALP-VXGBXAGGSA-N 2 2 241.379 0.879 20 0 BCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)C)C[C@H]1C ZINC000351518116 136246342 /nfs/dbraw/zinc/24/63/42/136246342.db2.gz LAZUFZQVPLFALP-VXGBXAGGSA-N 2 2 241.379 0.879 20 0 BCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)C)C[C@H]1C ZINC000351518116 136246343 /nfs/dbraw/zinc/24/63/43/136246343.db2.gz LAZUFZQVPLFALP-VXGBXAGGSA-N 2 2 241.379 0.879 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC=C(C)C1 ZINC000583389878 398336792 /nfs/dbraw/zinc/33/67/92/398336792.db2.gz ZFLWRFNKVZQDHO-LBPRGKRZSA-N 2 2 212.337 0.951 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC=C(C)C1 ZINC000583389878 398336793 /nfs/dbraw/zinc/33/67/93/398336793.db2.gz ZFLWRFNKVZQDHO-LBPRGKRZSA-N 2 2 212.337 0.951 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC=C(C)C1 ZINC000583389878 398336794 /nfs/dbraw/zinc/33/67/94/398336794.db2.gz ZFLWRFNKVZQDHO-LBPRGKRZSA-N 2 2 212.337 0.951 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC=C(C)C1 ZINC000583389878 398336795 /nfs/dbraw/zinc/33/67/95/398336795.db2.gz ZFLWRFNKVZQDHO-LBPRGKRZSA-N 2 2 212.337 0.951 20 0 BCADLP CNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248162621 398339217 /nfs/dbraw/zinc/33/92/17/398339217.db2.gz SJNPXSPUIODELJ-WDEREUQCSA-N 2 2 225.336 0.149 20 0 BCADLP CNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248162621 398339218 /nfs/dbraw/zinc/33/92/18/398339218.db2.gz SJNPXSPUIODELJ-WDEREUQCSA-N 2 2 225.336 0.149 20 0 BCADLP CNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248162621 398339219 /nfs/dbraw/zinc/33/92/19/398339219.db2.gz SJNPXSPUIODELJ-WDEREUQCSA-N 2 2 225.336 0.149 20 0 BCADLP CNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248162621 398339220 /nfs/dbraw/zinc/33/92/20/398339220.db2.gz SJNPXSPUIODELJ-WDEREUQCSA-N 2 2 225.336 0.149 20 0 BCADLP CCC[C@](C)([NH3+])C(=O)N1CC[NH+](C)CC1 ZINC000037481151 342938132 /nfs/dbraw/zinc/93/81/32/342938132.db2.gz LIUNWLSYWXZBJV-NSHDSACASA-N 2 2 213.325 0.278 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000493321478 529550487 /nfs/dbraw/zinc/55/04/87/529550487.db2.gz MBCIKUSESNNJPG-MVIFTORASA-N 2 2 248.330 0.866 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000493425580 529550544 /nfs/dbraw/zinc/55/05/44/529550544.db2.gz DKDBWRVJACXJPX-ZWNMCFTASA-N 2 2 248.330 0.737 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N[C@H]1CCC[NH2+]C1 ZINC000493662040 529556512 /nfs/dbraw/zinc/55/65/12/529556512.db2.gz WNEFAMJLQUFATN-QRGHLMKCSA-N 2 2 248.330 0.784 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000493323410 529557190 /nfs/dbraw/zinc/55/71/90/529557190.db2.gz PTWJPYUKJSOALO-DOGVGXBMSA-N 2 2 248.330 0.737 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)NC(C)(C)C[NH3+] ZINC000493060538 529558964 /nfs/dbraw/zinc/55/89/64/529558964.db2.gz YGKKPYRBVVRYQB-WAYWQWQTSA-N 2 2 236.319 0.770 20 0 BCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H](C)C[NH3+] ZINC000357241195 187215025 /nfs/dbraw/zinc/21/50/25/187215025.db2.gz MTLHBQIYJWMADL-JTQLQIEISA-N 2 2 238.335 0.750 20 0 BCADLP CC(=O)N1CCC([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000358411489 187215774 /nfs/dbraw/zinc/21/57/74/187215774.db2.gz YYEPDNDQJQSVSD-GXFFZTMASA-N 2 2 239.363 0.537 20 0 BCADLP CC(=O)N1CCC([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000358411489 187215776 /nfs/dbraw/zinc/21/57/76/187215776.db2.gz YYEPDNDQJQSVSD-GXFFZTMASA-N 2 2 239.363 0.537 20 0 BCADLP CCN(C#N)CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000602782782 349748521 /nfs/dbraw/zinc/74/85/21/349748521.db2.gz AHCBSHLXBWFSPE-LBPRGKRZSA-N 2 2 224.352 0.673 20 0 BCADLP CCN(C#N)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000602782782 349748525 /nfs/dbraw/zinc/74/85/25/349748525.db2.gz AHCBSHLXBWFSPE-LBPRGKRZSA-N 2 2 224.352 0.673 20 0 BCADLP CC(C)[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000082668960 167382501 /nfs/dbraw/zinc/38/25/01/167382501.db2.gz LROYDUMCJJSZRO-VXGBXAGGSA-N 2 2 213.369 0.866 20 0 BCADLP CC(C)[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000082668960 167382502 /nfs/dbraw/zinc/38/25/02/167382502.db2.gz LROYDUMCJJSZRO-VXGBXAGGSA-N 2 2 213.369 0.866 20 0 BCADLP COC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847796 349782708 /nfs/dbraw/zinc/78/27/08/349782708.db2.gz WHLWYUSLXCRSPZ-UHFFFAOYSA-N 2 2 249.314 0.767 20 0 BCADLP COC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847796 349782712 /nfs/dbraw/zinc/78/27/12/349782712.db2.gz WHLWYUSLXCRSPZ-UHFFFAOYSA-N 2 2 249.314 0.767 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000309459294 259343283 /nfs/dbraw/zinc/34/32/83/259343283.db2.gz OKCQHZOKKRKDKZ-NKWVEPMBSA-N 2 2 208.265 0.586 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCO[C@@](C)(CC)C1 ZINC000520952804 259345634 /nfs/dbraw/zinc/34/56/34/259345634.db2.gz HWSKODARYBDUAK-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@@](C)(CC)C1 ZINC000520952804 259345636 /nfs/dbraw/zinc/34/56/36/259345636.db2.gz HWSKODARYBDUAK-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000520952804 259345637 /nfs/dbraw/zinc/34/56/37/259345637.db2.gz HWSKODARYBDUAK-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCO[C@@](C)(CC)C1 ZINC000520952804 259345639 /nfs/dbraw/zinc/34/56/39/259345639.db2.gz HWSKODARYBDUAK-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCO[C@@](C)(CC)C1 ZINC000520952802 259345701 /nfs/dbraw/zinc/34/57/01/259345701.db2.gz HWSKODARYBDUAK-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCO[C@@](C)(CC)C1 ZINC000520952802 259345702 /nfs/dbraw/zinc/34/57/02/259345702.db2.gz HWSKODARYBDUAK-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000520952802 259345704 /nfs/dbraw/zinc/34/57/04/259345704.db2.gz HWSKODARYBDUAK-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCO[C@@](C)(CC)C1 ZINC000520952802 259345706 /nfs/dbraw/zinc/34/57/06/259345706.db2.gz HWSKODARYBDUAK-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCO[C@](C)(CC)C1 ZINC000520952798 259345749 /nfs/dbraw/zinc/34/57/49/259345749.db2.gz HWSKODARYBDUAK-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCO[C@](C)(CC)C1 ZINC000520952798 259345750 /nfs/dbraw/zinc/34/57/50/259345750.db2.gz HWSKODARYBDUAK-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCO[C@](C)(CC)C1 ZINC000520952798 259345752 /nfs/dbraw/zinc/34/57/52/259345752.db2.gz HWSKODARYBDUAK-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCO[C@](C)(CC)C1 ZINC000520952798 259345754 /nfs/dbraw/zinc/34/57/54/259345754.db2.gz HWSKODARYBDUAK-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCO[C@](C)(CC)C1 ZINC000520952803 259345804 /nfs/dbraw/zinc/34/58/04/259345804.db2.gz HWSKODARYBDUAK-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@](C)(CC)C1 ZINC000520952803 259345806 /nfs/dbraw/zinc/34/58/06/259345806.db2.gz HWSKODARYBDUAK-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@](C)(CC)C1 ZINC000520952803 259345808 /nfs/dbraw/zinc/34/58/08/259345808.db2.gz HWSKODARYBDUAK-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCO[C@](C)(CC)C1 ZINC000520952803 259345810 /nfs/dbraw/zinc/34/58/10/259345810.db2.gz HWSKODARYBDUAK-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP Cn1cnc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000236139679 343079817 /nfs/dbraw/zinc/07/98/17/343079817.db2.gz HZRLVFCBYVIFDQ-RKDXNWHRSA-N 2 2 209.297 0.175 20 0 BCADLP FCCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000402798641 343111820 /nfs/dbraw/zinc/11/18/20/343111820.db2.gz OIVKWQFIBDXFGV-UHFFFAOYSA-N 2 2 212.272 0.891 20 0 BCADLP C[NH+]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000170040117 136270138 /nfs/dbraw/zinc/27/01/38/136270138.db2.gz ZEJYOHLTSWPYDT-LLVKDONJSA-N 2 2 248.330 0.220 20 0 BCADLP Cc1cccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000122563329 343160342 /nfs/dbraw/zinc/16/03/42/343160342.db2.gz HAIUFMXLAALAHI-ZDUSSCGKSA-N 2 2 247.342 0.710 20 0 BCADLP Cc1cccc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000122563329 343160343 /nfs/dbraw/zinc/16/03/43/343160343.db2.gz HAIUFMXLAALAHI-ZDUSSCGKSA-N 2 2 247.342 0.710 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1CCCCC1 ZINC000124599182 343163375 /nfs/dbraw/zinc/16/33/75/343163375.db2.gz VAAPDYJQGXXKMH-VXGBXAGGSA-N 2 2 239.363 0.811 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1CCCCC1 ZINC000124599182 343163377 /nfs/dbraw/zinc/16/33/77/343163377.db2.gz VAAPDYJQGXXKMH-VXGBXAGGSA-N 2 2 239.363 0.811 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000133608089 343185466 /nfs/dbraw/zinc/18/54/66/343185466.db2.gz RNIBRKNROLGCML-ZJUUUORDSA-N 2 2 213.325 0.323 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000133608089 343185469 /nfs/dbraw/zinc/18/54/69/343185469.db2.gz RNIBRKNROLGCML-ZJUUUORDSA-N 2 2 213.325 0.323 20 0 BCADLP CO[C@H]1CC[N@H+](CCCF)[C@H](C[NH3+])C1 ZINC000159323836 343201887 /nfs/dbraw/zinc/20/18/87/343201887.db2.gz QOZAQORMZCDYCW-UWVGGRQHSA-N 2 2 204.289 0.784 20 0 BCADLP CO[C@H]1CC[N@@H+](CCCF)[C@H](C[NH3+])C1 ZINC000159323836 343201889 /nfs/dbraw/zinc/20/18/89/343201889.db2.gz QOZAQORMZCDYCW-UWVGGRQHSA-N 2 2 204.289 0.784 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@H](C)CC[NH+](C)C ZINC000134852777 343190844 /nfs/dbraw/zinc/19/08/44/343190844.db2.gz KNULTAPTMONGOD-MRVPVSSYSA-N 2 2 239.323 0.820 20 0 BCADLP COc1c(N)nc[nH+]c1N[C@H](C)CC[NH+](C)C ZINC000134852777 343190846 /nfs/dbraw/zinc/19/08/46/343190846.db2.gz KNULTAPTMONGOD-MRVPVSSYSA-N 2 2 239.323 0.820 20 0 BCADLP CC1(C)C[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CCO1 ZINC000634685900 343224728 /nfs/dbraw/zinc/22/47/28/343224728.db2.gz XPXOPZRSQHTPNH-NWDGAFQWSA-N 2 2 242.363 0.600 20 0 BCADLP CC1(C)C[C@@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)CCO1 ZINC000634685900 343224730 /nfs/dbraw/zinc/22/47/30/343224730.db2.gz XPXOPZRSQHTPNH-NWDGAFQWSA-N 2 2 242.363 0.600 20 0 BCADLP COc1cc[nH+]c(Cn2cc(CC[NH3+])nn2)c1 ZINC000641030605 362144751 /nfs/dbraw/zinc/14/47/51/362144751.db2.gz BSNXDJXUQXHRMB-UHFFFAOYSA-N 2 2 233.275 0.231 20 0 BCADLP CC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334198805 187250160 /nfs/dbraw/zinc/25/01/60/187250160.db2.gz OSMWEBOGMSBBSV-NSHDSACASA-N 2 2 239.363 0.633 20 0 BCADLP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](F)[C@H]([NH3+])C2)O1 ZINC000634688504 343248012 /nfs/dbraw/zinc/24/80/12/343248012.db2.gz UYZJLMXDHRAYQW-GWOFURMSSA-N 2 2 216.300 0.925 20 0 BCADLP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H](F)[C@H]([NH3+])C2)O1 ZINC000634688504 343248013 /nfs/dbraw/zinc/24/80/13/343248013.db2.gz UYZJLMXDHRAYQW-GWOFURMSSA-N 2 2 216.300 0.925 20 0 BCADLP C[C@H]1CC[C@@H](C[N@@H+]2CC[C@@H](F)[C@H]([NH3+])C2)O1 ZINC000634688507 343248088 /nfs/dbraw/zinc/24/80/88/343248088.db2.gz UYZJLMXDHRAYQW-UKKRHICBSA-N 2 2 216.300 0.925 20 0 BCADLP C[C@H]1CC[C@@H](C[N@H+]2CC[C@@H](F)[C@H]([NH3+])C2)O1 ZINC000634688507 343248090 /nfs/dbraw/zinc/24/80/90/343248090.db2.gz UYZJLMXDHRAYQW-UKKRHICBSA-N 2 2 216.300 0.925 20 0 BCADLP Nc1ccc(NC(=O)C2CC[NH2+]CC2)c[nH+]1 ZINC000238133072 343250548 /nfs/dbraw/zinc/25/05/48/343250548.db2.gz WOZWOHCQMLLVLR-UHFFFAOYSA-N 2 2 220.276 0.602 20 0 BCADLP CCCC[C@H](C(=O)OC)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000608991198 343253061 /nfs/dbraw/zinc/25/30/61/343253061.db2.gz LHFKTZHDUVEXOV-GRYCIOLGSA-N 2 2 240.347 0.869 20 0 BCADLP CCCC[C@H](C(=O)OC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000608991198 343253063 /nfs/dbraw/zinc/25/30/63/343253063.db2.gz LHFKTZHDUVEXOV-GRYCIOLGSA-N 2 2 240.347 0.869 20 0 BCADLP Cn1c[nH+]cc1CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000121345747 343267197 /nfs/dbraw/zinc/26/71/97/343267197.db2.gz YRCHNAWUVCYEJT-NSHDSACASA-N 2 2 236.319 0.173 20 0 BCADLP c1[nH]cc(Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)[nH+]1 ZINC000641035712 362147499 /nfs/dbraw/zinc/14/74/99/362147499.db2.gz WFHSOJSVUNFLIF-VIFPVBQESA-N 2 2 232.291 0.202 20 0 BCADLP C[NH2+]C(C)(C)c1cn(Cc2c[nH+]cn2C)nn1 ZINC000641037635 362150173 /nfs/dbraw/zinc/15/01/73/362150173.db2.gz BVOWQZLHWAXQOA-UHFFFAOYSA-N 2 2 234.307 0.514 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCCC[NH2+]1 ZINC000036999319 343330107 /nfs/dbraw/zinc/33/01/07/343330107.db2.gz JVYRBNWAIPAAJH-WDEREUQCSA-N 2 2 236.319 0.530 20 0 BCADLP C[C@H]([NH3+])CCC(=O)NCCn1cc[nH+]c1 ZINC000069839863 343292480 /nfs/dbraw/zinc/29/24/80/343292480.db2.gz ROZCSQVLUUHPGM-VIFPVBQESA-N 2 2 210.281 0.127 20 0 BCADLP C[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C[C@H]1CO ZINC000621373262 343314196 /nfs/dbraw/zinc/31/41/96/343314196.db2.gz FQHOFJOSUFRVMC-RYUDHWBXSA-N 2 2 237.347 0.913 20 0 BCADLP C[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)C[C@H]1CO ZINC000621373262 343314198 /nfs/dbraw/zinc/31/41/98/343314198.db2.gz FQHOFJOSUFRVMC-RYUDHWBXSA-N 2 2 237.347 0.913 20 0 BCADLP Cc1c(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cnn1C ZINC000335635448 136300556 /nfs/dbraw/zinc/30/05/56/136300556.db2.gz LLKWXSWZDUCIGU-JOYOIKCWSA-N 2 2 222.336 0.816 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnn(C)c1 ZINC000037157030 343337407 /nfs/dbraw/zinc/33/74/07/343337407.db2.gz BLLYGNFYZJIZDU-JTQLQIEISA-N 2 2 219.292 0.795 20 0 BCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1[nH]cc[nH+]1 ZINC000070646714 343337718 /nfs/dbraw/zinc/33/77/18/343337718.db2.gz IDNNENMRCGLFRJ-IONNQARKSA-N 2 2 210.281 0.399 20 0 BCADLP O=C1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)CN1C1CC1 ZINC000335648872 136304810 /nfs/dbraw/zinc/30/48/10/136304810.db2.gz IAPWKYYWQRABCC-UWVGGRQHSA-N 2 2 223.320 0.091 20 0 BCADLP Cn1nccc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000335640857 136308522 /nfs/dbraw/zinc/30/85/22/136308522.db2.gz BLTXEZOUWCWOGT-SNVBAGLBSA-N 2 2 208.309 0.652 20 0 BCADLP Cc1cc(Cn2cc(CC[NH3+])nn2)cc[nH+]1 ZINC000641090299 362215062 /nfs/dbraw/zinc/21/50/62/362215062.db2.gz WTNXHKMROFFQLR-UHFFFAOYSA-N 2 2 217.276 0.531 20 0 BCADLP CCC[N@H+](C)CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351110414 136367981 /nfs/dbraw/zinc/36/79/81/136367981.db2.gz CIVSWHFZXVPPQS-QJPTWQEYSA-N 2 2 239.363 0.524 20 0 BCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351110414 136367982 /nfs/dbraw/zinc/36/79/82/136367982.db2.gz CIVSWHFZXVPPQS-QJPTWQEYSA-N 2 2 239.363 0.524 20 0 BCADLP C[N@@H+]1CCN(C(=O)Nc2ccccn2)[C@@H](C[NH3+])C1 ZINC000623066441 349810351 /nfs/dbraw/zinc/81/03/51/349810351.db2.gz HTFANVHHALTNES-JTQLQIEISA-N 2 2 249.318 0.188 20 0 BCADLP C[N@H+]1CCN(C(=O)Nc2ccccn2)[C@@H](C[NH3+])C1 ZINC000623066441 349810355 /nfs/dbraw/zinc/81/03/55/349810355.db2.gz HTFANVHHALTNES-JTQLQIEISA-N 2 2 249.318 0.188 20 0 BCADLP C[N@@H+]1CCN(C(=O)Nc2ccccn2)[C@H](C[NH3+])C1 ZINC000623066442 349810044 /nfs/dbraw/zinc/81/00/44/349810044.db2.gz HTFANVHHALTNES-SNVBAGLBSA-N 2 2 249.318 0.188 20 0 BCADLP C[N@H+]1CCN(C(=O)Nc2ccccn2)[C@H](C[NH3+])C1 ZINC000623066442 349810046 /nfs/dbraw/zinc/81/00/46/349810046.db2.gz HTFANVHHALTNES-SNVBAGLBSA-N 2 2 249.318 0.188 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCSC1 ZINC000379937739 365749329 /nfs/dbraw/zinc/74/93/29/365749329.db2.gz XXOCXAQBLFSQLC-GHMZBOCLSA-N 2 2 232.393 0.736 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCSC1 ZINC000379937739 365749330 /nfs/dbraw/zinc/74/93/30/365749330.db2.gz XXOCXAQBLFSQLC-GHMZBOCLSA-N 2 2 232.393 0.736 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCSC1 ZINC000379937739 365749334 /nfs/dbraw/zinc/74/93/34/365749334.db2.gz XXOCXAQBLFSQLC-GHMZBOCLSA-N 2 2 232.393 0.736 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000379937739 365749338 /nfs/dbraw/zinc/74/93/38/365749338.db2.gz XXOCXAQBLFSQLC-GHMZBOCLSA-N 2 2 232.393 0.736 20 0 BCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)[NH+](C)C ZINC000616486848 343472342 /nfs/dbraw/zinc/47/23/42/343472342.db2.gz HRAZZVQDHQCAEC-ZJUUUORDSA-N 2 2 238.335 0.655 20 0 BCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)[NH+](C)C ZINC000616486848 343472343 /nfs/dbraw/zinc/47/23/43/343472343.db2.gz HRAZZVQDHQCAEC-ZJUUUORDSA-N 2 2 238.335 0.655 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@H]2O)n1C ZINC000570057895 323048718 /nfs/dbraw/zinc/04/87/18/323048718.db2.gz KDZOIVREWFCQPY-GHMZBOCLSA-N 2 2 209.293 0.732 20 0 BCADLP Cc1ncccc1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000310473384 343508003 /nfs/dbraw/zinc/50/80/03/343508003.db2.gz ZXLFOJRKYLIGIS-ZDUSSCGKSA-N 2 2 234.347 0.465 20 0 BCADLP Cc1ncccc1CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000310473384 343508006 /nfs/dbraw/zinc/50/80/06/343508006.db2.gz ZXLFOJRKYLIGIS-ZDUSSCGKSA-N 2 2 234.347 0.465 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccoc1 ZINC000580550948 365755772 /nfs/dbraw/zinc/75/57/72/365755772.db2.gz KQQRECLMVIMZKG-ONGXEEELSA-N 2 2 210.277 0.919 20 0 BCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnnn1C ZINC000577026127 365773788 /nfs/dbraw/zinc/77/37/88/365773788.db2.gz ITJZORMDUZQACS-PWSUYJOCSA-N 2 2 237.351 0.587 20 0 BCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnnn1C ZINC000577026127 365773793 /nfs/dbraw/zinc/77/37/93/365773793.db2.gz ITJZORMDUZQACS-PWSUYJOCSA-N 2 2 237.351 0.587 20 0 BCADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnnn1C ZINC000577026127 365773799 /nfs/dbraw/zinc/77/37/99/365773799.db2.gz ITJZORMDUZQACS-PWSUYJOCSA-N 2 2 237.351 0.587 20 0 BCADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnnn1C ZINC000577026127 365773802 /nfs/dbraw/zinc/77/38/02/365773802.db2.gz ITJZORMDUZQACS-PWSUYJOCSA-N 2 2 237.351 0.587 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1nccn1C ZINC000049235510 343594220 /nfs/dbraw/zinc/59/42/20/343594220.db2.gz LHFPXDSCSXGZEQ-JTQLQIEISA-N 2 2 219.292 0.795 20 0 BCADLP Cc1cccnc1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000311106432 343638327 /nfs/dbraw/zinc/63/83/27/343638327.db2.gz DILMSFFYZUHFPM-ZDUSSCGKSA-N 2 2 249.358 0.935 20 0 BCADLP Cc1cccnc1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000311106432 343638330 /nfs/dbraw/zinc/63/83/30/343638330.db2.gz DILMSFFYZUHFPM-ZDUSSCGKSA-N 2 2 249.358 0.935 20 0 BCADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000335868399 344035828 /nfs/dbraw/zinc/03/58/28/344035828.db2.gz ACXLKFKPGSDTKK-NEPJUHHUSA-N 2 2 239.363 0.491 20 0 BCADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000335868399 344035829 /nfs/dbraw/zinc/03/58/29/344035829.db2.gz ACXLKFKPGSDTKK-NEPJUHHUSA-N 2 2 239.363 0.491 20 0 BCADLP Nc1ncc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000309070961 349826385 /nfs/dbraw/zinc/82/63/85/349826385.db2.gz CXADLYAWQCQMNB-OCAPTIKFSA-N 2 2 224.333 0.377 20 0 BCADLP Nc1ncc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000309070961 349826388 /nfs/dbraw/zinc/82/63/88/349826388.db2.gz CXADLYAWQCQMNB-OCAPTIKFSA-N 2 2 224.333 0.377 20 0 BCADLP CCC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624333028 343716265 /nfs/dbraw/zinc/71/62/65/343716265.db2.gz GRAZIIMXODWFRP-MNOVXSKESA-N 2 2 200.326 0.831 20 0 BCADLP CCC[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624333028 343716266 /nfs/dbraw/zinc/71/62/66/343716266.db2.gz GRAZIIMXODWFRP-MNOVXSKESA-N 2 2 200.326 0.831 20 0 BCADLP COCCC[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624335583 343717748 /nfs/dbraw/zinc/71/77/48/343717748.db2.gz VXAHTGSBHLIZCQ-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP COCCC[C@H](C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624335583 343717750 /nfs/dbraw/zinc/71/77/50/343717750.db2.gz VXAHTGSBHLIZCQ-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)[C@@H]1CCOC1 ZINC000624335610 343718328 /nfs/dbraw/zinc/71/83/28/343718328.db2.gz WGELKLYGHXEOJL-UTUOFQBUSA-N 2 2 228.336 0.068 20 0 BCADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)[C@@H]1CCOC1 ZINC000624335610 343718329 /nfs/dbraw/zinc/71/83/29/343718329.db2.gz WGELKLYGHXEOJL-UTUOFQBUSA-N 2 2 228.336 0.068 20 0 BCADLP C[NH2+]Cc1noc([C@H]2CCCCC[NH2+]2)n1 ZINC000576941601 343767114 /nfs/dbraw/zinc/76/71/14/343767114.db2.gz DZBBITDBTOXQPH-MRVPVSSYSA-N 2 2 210.281 0.994 20 0 BCADLP CN(CC[NH+]1CCCC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493579841 529907752 /nfs/dbraw/zinc/90/77/52/529907752.db2.gz BOBCSLCCIZNNHQ-PLNGDYQASA-N 2 2 248.330 0.977 20 0 BCADLP CC(C)(F)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000634723337 343885049 /nfs/dbraw/zinc/88/50/49/343885049.db2.gz KSAXGRQBOCAZDX-JTQLQIEISA-N 2 2 218.316 0.781 20 0 BCADLP C[N@H+](CCNC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000493233983 529912509 /nfs/dbraw/zinc/91/25/09/529912509.db2.gz CZFZBGFPVCTEAD-DJWKRKHSSA-N 2 2 234.303 0.633 20 0 BCADLP C[N@@H+](CCNC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000493233983 529912512 /nfs/dbraw/zinc/91/25/12/529912512.db2.gz CZFZBGFPVCTEAD-DJWKRKHSSA-N 2 2 234.303 0.633 20 0 BCADLP Cc1c[nH+]cn1CC(=O)N1CCn2cc[nH+]c2C1 ZINC000625490488 343886454 /nfs/dbraw/zinc/88/64/54/343886454.db2.gz JZBVVJUPZWQKAR-UHFFFAOYSA-N 2 2 245.286 0.430 20 0 BCADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCn1cccn1)C2 ZINC000621781185 343906100 /nfs/dbraw/zinc/90/61/00/343906100.db2.gz ABDYVGAYGXDSJA-NWDGAFQWSA-N 2 2 220.320 0.696 20 0 BCADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCn1cccn1)C2 ZINC000621781185 343906102 /nfs/dbraw/zinc/90/61/02/343906102.db2.gz ABDYVGAYGXDSJA-NWDGAFQWSA-N 2 2 220.320 0.696 20 0 BCADLP C[C@@H](O)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625544292 343931447 /nfs/dbraw/zinc/93/14/47/343931447.db2.gz NWIOPEIHFYSQQI-LLVKDONJSA-N 2 2 228.336 0.164 20 0 BCADLP CCn1ncnc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000570582851 323063935 /nfs/dbraw/zinc/06/39/35/323063935.db2.gz LITWXUYTHXTIEX-ZJUUUORDSA-N 2 2 223.324 0.658 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000335892909 344044986 /nfs/dbraw/zinc/04/49/86/344044986.db2.gz WOSGDDPOMKPAFH-SECBINFHSA-N 2 2 247.289 0.148 20 0 BCADLP CC[NH+]1CCN(Cc2[nH]cc(C)[nH+]2)CC1 ZINC000628118611 343968468 /nfs/dbraw/zinc/96/84/68/343968468.db2.gz AIOFEMHFGMHURD-UHFFFAOYSA-N 2 2 208.309 0.856 20 0 BCADLP Cc1cc(NC[C@H]2COCC[N@H+]2C)cc[nH+]1 ZINC000624620476 344107347 /nfs/dbraw/zinc/10/73/47/344107347.db2.gz DUYBVRNVMYQWHS-LBPRGKRZSA-N 2 2 221.304 0.554 20 0 BCADLP Cc1cc(NC[C@H]2COCC[N@@H+]2C)cc[nH+]1 ZINC000624620476 344107351 /nfs/dbraw/zinc/10/73/51/344107351.db2.gz DUYBVRNVMYQWHS-LBPRGKRZSA-N 2 2 221.304 0.554 20 0 BCADLP Cc1c[nH+]ccc1NC[C@H]1COCC[N@H+]1C ZINC000624620470 344107758 /nfs/dbraw/zinc/10/77/58/344107758.db2.gz DQQOKIQMRLBJFK-NSHDSACASA-N 2 2 221.304 0.554 20 0 BCADLP Cc1c[nH+]ccc1NC[C@H]1COCC[N@@H+]1C ZINC000624620470 344107761 /nfs/dbraw/zinc/10/77/61/344107761.db2.gz DQQOKIQMRLBJFK-NSHDSACASA-N 2 2 221.304 0.554 20 0 BCADLP Cn1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)nn1 ZINC000634732885 344108242 /nfs/dbraw/zinc/10/82/42/344108242.db2.gz RFNRMHWRGXETDI-SNVBAGLBSA-N 2 2 237.351 0.683 20 0 BCADLP Cc1n[nH]cc1C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634733414 344113291 /nfs/dbraw/zinc/11/32/91/344113291.db2.gz FEBNYYMGOZKOTD-NEPJUHHUSA-N 2 2 220.320 0.950 20 0 BCADLP Nc1ncc(C[NH+]2CCC([NH3+])CC2)s1 ZINC000306360533 344127400 /nfs/dbraw/zinc/12/74/00/344127400.db2.gz MUVPVNPJTRXAEF-UHFFFAOYSA-N 2 2 212.322 0.648 20 0 BCADLP CC[C@@H]([NH3+])C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000130372691 344133661 /nfs/dbraw/zinc/13/36/61/344133661.db2.gz LBVXRKSMTZVEIW-VHSXEESVSA-N 2 2 224.308 0.373 20 0 BCADLP CCN(CC[NH3+])C(=O)Nc1cc(C)[nH+]cc1C ZINC000625873868 344275587 /nfs/dbraw/zinc/27/55/87/344275587.db2.gz FIPMOBFTDGGUNB-UHFFFAOYSA-N 2 2 236.319 0.933 20 0 BCADLP Cc1cc(C)n(CC[N@H+]2C[C@H]([NH3+])C[C@@H]2C)n1 ZINC000385208742 344376393 /nfs/dbraw/zinc/37/63/93/344376393.db2.gz CZKPFHGVXSCNHT-CMPLNLGQSA-N 2 2 222.336 0.921 20 0 BCADLP Cc1cc(C)n(CC[N@@H+]2C[C@H]([NH3+])C[C@@H]2C)n1 ZINC000385208742 344376396 /nfs/dbraw/zinc/37/63/96/344376396.db2.gz CZKPFHGVXSCNHT-CMPLNLGQSA-N 2 2 222.336 0.921 20 0 BCADLP Cc1cnn(CC[N@H+]2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000385216070 344377210 /nfs/dbraw/zinc/37/72/10/344377210.db2.gz ZSCIBBSJMGRYKX-QWRGUYRKSA-N 2 2 208.309 0.613 20 0 BCADLP Cc1cnn(CC[N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000385216070 344377212 /nfs/dbraw/zinc/37/72/12/344377212.db2.gz ZSCIBBSJMGRYKX-QWRGUYRKSA-N 2 2 208.309 0.613 20 0 BCADLP C[NH2+]C1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000634808657 344393044 /nfs/dbraw/zinc/39/30/44/344393044.db2.gz YJQUDSUAMFZJNR-UHFFFAOYSA-N 2 2 249.318 0.469 20 0 BCADLP C[NH2+]C1CCN(c2[nH+]cnc3c2OCCN3)CC1 ZINC000634808657 344393046 /nfs/dbraw/zinc/39/30/46/344393046.db2.gz YJQUDSUAMFZJNR-UHFFFAOYSA-N 2 2 249.318 0.469 20 0 BCADLP [NH3+]CC1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000634808619 344393340 /nfs/dbraw/zinc/39/33/40/344393340.db2.gz XPKSEOAFTNKRKI-UHFFFAOYSA-N 2 2 249.318 0.456 20 0 BCADLP [NH3+]CC1CCN(c2[nH+]cnc3c2OCCN3)CC1 ZINC000634808619 344393342 /nfs/dbraw/zinc/39/33/42/344393342.db2.gz XPKSEOAFTNKRKI-UHFFFAOYSA-N 2 2 249.318 0.456 20 0 BCADLP C[C@@H]([NH3+])C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000381268594 344477709 /nfs/dbraw/zinc/47/77/09/344477709.db2.gz UWMCGGWAAGOYRN-SNVBAGLBSA-N 3 2 215.341 0.163 20 0 BCADLP C[C@H]([NH2+]CC(=O)NCC1CC1)[C@H]1CCC[NH2+]1 ZINC000400327610 344486437 /nfs/dbraw/zinc/48/64/37/344486437.db2.gz FAYVVVHGJLVNDY-GXSJLCMTSA-N 2 2 225.336 0.243 20 0 BCADLP Cc1nc(C[NH+]2CCC(C[NH3+])CC2)no1 ZINC000044514328 344541463 /nfs/dbraw/zinc/54/14/63/344541463.db2.gz VMKJYBRJJDVEFC-UHFFFAOYSA-N 2 2 210.281 0.549 20 0 BCADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CC(=O)NC)C1 ZINC000309404768 347056725 /nfs/dbraw/zinc/05/67/25/347056725.db2.gz ARHHYPSNIQCJAB-GHMZBOCLSA-N 2 2 227.352 0.585 20 0 BCADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CC(=O)NC)C1 ZINC000309404768 347056726 /nfs/dbraw/zinc/05/67/26/347056726.db2.gz ARHHYPSNIQCJAB-GHMZBOCLSA-N 2 2 227.352 0.585 20 0 BCADLP OC[C@]12CCC[C@H]1C[N@H+](CCn1cc[nH+]c1)C2 ZINC000626014813 344673185 /nfs/dbraw/zinc/67/31/85/344673185.db2.gz VLUADDSVICRXCU-QWHCGFSZSA-N 2 2 235.331 0.978 20 0 BCADLP OC[C@]12CCC[C@H]1C[N@@H+](CCn1cc[nH+]c1)C2 ZINC000626014813 344673187 /nfs/dbraw/zinc/67/31/87/344673187.db2.gz VLUADDSVICRXCU-QWHCGFSZSA-N 2 2 235.331 0.978 20 0 BCADLP CC[N@@H+]1CCC[C@@H]1CNCc1[nH]cc[nH+]1 ZINC000049714585 344683266 /nfs/dbraw/zinc/68/32/66/344683266.db2.gz FZJINWLTDNBNIK-SNVBAGLBSA-N 2 2 208.309 0.984 20 0 BCADLP CC[N@H+]1CCC[C@@H]1CNCc1[nH]cc[nH+]1 ZINC000049714585 344683269 /nfs/dbraw/zinc/68/32/69/344683269.db2.gz FZJINWLTDNBNIK-SNVBAGLBSA-N 2 2 208.309 0.984 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)C[C@H]1C[C@@H](O)C1 ZINC000626045903 344695624 /nfs/dbraw/zinc/69/56/24/344695624.db2.gz HABXZOIDOUIJQD-PHIMTYICSA-N 2 2 209.293 0.586 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)C[C@H]1C[C@@H](O)C1 ZINC000626045903 344695625 /nfs/dbraw/zinc/69/56/25/344695625.db2.gz HABXZOIDOUIJQD-PHIMTYICSA-N 2 2 209.293 0.586 20 0 BCADLP C[C@@H](O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000578139876 344714733 /nfs/dbraw/zinc/71/47/33/344714733.db2.gz HRVRLBSURNDOBZ-ZJUUUORDSA-N 2 2 209.293 0.590 20 0 BCADLP C[C@@H](O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000578139876 344714734 /nfs/dbraw/zinc/71/47/34/344714734.db2.gz HRVRLBSURNDOBZ-ZJUUUORDSA-N 2 2 209.293 0.590 20 0 BCADLP C[N@@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1(C)C ZINC000493590635 530066013 /nfs/dbraw/zinc/06/60/13/530066013.db2.gz BZNJCUKKAOVWCU-SNAWJCMRSA-N 2 2 248.330 0.976 20 0 BCADLP C[N@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1(C)C ZINC000493590635 530066014 /nfs/dbraw/zinc/06/60/14/530066014.db2.gz BZNJCUKKAOVWCU-SNAWJCMRSA-N 2 2 248.330 0.976 20 0 BCADLP O[C@@H]1CCC[NH+](CCC[N@H+]2CCC[C@H](O)C2)C1 ZINC000077247087 344814067 /nfs/dbraw/zinc/81/40/67/344814067.db2.gz WCWSSFWZZBNRSC-BETUJISGSA-N 2 2 242.363 0.290 20 0 BCADLP O[C@@H]1CCC[NH+](CCC[N@@H+]2CCC[C@H](O)C2)C1 ZINC000077247087 344814069 /nfs/dbraw/zinc/81/40/69/344814069.db2.gz WCWSSFWZZBNRSC-BETUJISGSA-N 2 2 242.363 0.290 20 0 BCADLP O[C@@H]1CCC[N@@H+](CCC[NH+]2CCC[C@H](O)C2)C1 ZINC000077247087 344814070 /nfs/dbraw/zinc/81/40/70/344814070.db2.gz WCWSSFWZZBNRSC-BETUJISGSA-N 2 2 242.363 0.290 20 0 BCADLP O[C@@H]1CCC[N@H+](CCC[NH+]2CCC[C@H](O)C2)C1 ZINC000077247087 344814072 /nfs/dbraw/zinc/81/40/72/344814072.db2.gz WCWSSFWZZBNRSC-BETUJISGSA-N 2 2 242.363 0.290 20 0 BCADLP Cc1c[nH]c(CN2CC[NH+](C[C@H](C)O)CC2)[nH+]1 ZINC000628162735 344862110 /nfs/dbraw/zinc/86/21/10/344862110.db2.gz BSDNBUKWGURPMW-NSHDSACASA-N 2 2 238.335 0.217 20 0 BCADLP C[NH2+]Cc1noc(C[C@@H]2CCCC[C@H]2[NH3+])n1 ZINC000583440313 344964344 /nfs/dbraw/zinc/96/43/44/344964344.db2.gz YZXSLFLJSGWBJD-DTWKUNHWSA-N 2 2 224.308 0.849 20 0 BCADLP C[NH2+]Cc1noc(C[C@@H]2CCCC[C@@H]2[NH3+])n1 ZINC000583440314 344964419 /nfs/dbraw/zinc/96/44/19/344964419.db2.gz YZXSLFLJSGWBJD-IUCAKERBSA-N 2 2 224.308 0.849 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000154303151 345026143 /nfs/dbraw/zinc/02/61/43/345026143.db2.gz XXNMEYNELWPRSA-MROQNXINSA-N 3 2 243.395 0.227 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000154303151 345026147 /nfs/dbraw/zinc/02/61/47/345026147.db2.gz XXNMEYNELWPRSA-MROQNXINSA-N 3 2 243.395 0.227 20 0 BCADLP Cn1c[nH+]c(CCNc2cc(CO)cc[nH+]2)c1 ZINC000641626708 362556908 /nfs/dbraw/zinc/55/69/08/362556908.db2.gz FKBFOFYKPHPXON-UHFFFAOYSA-N 2 2 232.287 0.962 20 0 BCADLP C[C@H](O)C[C@@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993377 345189779 /nfs/dbraw/zinc/18/97/79/345189779.db2.gz SFFPEMOQDDLLHU-QCXCNERSSA-N 2 2 224.348 0.974 20 0 BCADLP C[C@H](O)C[C@@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993377 345189781 /nfs/dbraw/zinc/18/97/81/345189781.db2.gz SFFPEMOQDDLLHU-QCXCNERSSA-N 2 2 224.348 0.974 20 0 BCADLP C[NH2+]C1CC[NH+](C[C@@H](C[NH3+])C(C)C)CC1 ZINC000634990952 345174113 /nfs/dbraw/zinc/17/41/13/345174113.db2.gz IXBLWQUWADFZCY-LLVKDONJSA-N 3 2 213.369 0.901 20 0 BCADLP NC(=O)C[N@H+](CC12CC(C1)C[NH2+]2)C1CCCC1 ZINC000634991902 345179221 /nfs/dbraw/zinc/17/92/21/345179221.db2.gz WCMGALFSGFXFDS-UHFFFAOYSA-N 2 2 237.347 0.468 20 0 BCADLP NC(=O)C[N@@H+](CC12CC(C1)C[NH2+]2)C1CCCC1 ZINC000634991902 345179223 /nfs/dbraw/zinc/17/92/23/345179223.db2.gz WCMGALFSGFXFDS-UHFFFAOYSA-N 2 2 237.347 0.468 20 0 BCADLP O=C1CCCN1[C@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994473 345181749 /nfs/dbraw/zinc/18/17/49/345181749.db2.gz DWVUDUPOLVBWDL-LXVYMNJGSA-N 2 2 249.358 0.435 20 0 BCADLP O=C1CCCN1[C@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994473 345181753 /nfs/dbraw/zinc/18/17/53/345181753.db2.gz DWVUDUPOLVBWDL-LXVYMNJGSA-N 2 2 249.358 0.435 20 0 BCADLP COCCO[C@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634995267 345184491 /nfs/dbraw/zinc/18/44/91/345184491.db2.gz ZHYGBQZCCBENBU-CPCZMJQVSA-N 2 2 240.347 0.476 20 0 BCADLP COCCO[C@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634995267 345184492 /nfs/dbraw/zinc/18/44/92/345184492.db2.gz ZHYGBQZCCBENBU-CPCZMJQVSA-N 2 2 240.347 0.476 20 0 BCADLP CCN(C)C(=O)[C@@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634996890 345186110 /nfs/dbraw/zinc/18/61/10/345186110.db2.gz XUCGCDJHKXGTTC-GRZMOONWSA-N 2 2 225.336 0.195 20 0 BCADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634996107 345186699 /nfs/dbraw/zinc/18/66/99/345186699.db2.gz ZLKUPKMTGDCAIU-AKJDGMEZSA-N 3 2 223.364 0.716 20 0 BCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634950125 345126696 /nfs/dbraw/zinc/12/66/96/345126696.db2.gz JUMIMETZXWQITQ-NWDGAFQWSA-N 2 2 239.363 0.729 20 0 BCADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634950125 345126698 /nfs/dbraw/zinc/12/66/98/345126698.db2.gz JUMIMETZXWQITQ-NWDGAFQWSA-N 2 2 239.363 0.729 20 0 BCADLP CC[N@H+](CC[NH2+][C@H]1CCNC(=O)CC1)C1CC1 ZINC000634958597 345132468 /nfs/dbraw/zinc/13/24/68/345132468.db2.gz UVHSARQOUYFZRI-LLVKDONJSA-N 2 2 239.363 0.729 20 0 BCADLP CC[N@@H+](CC[NH2+][C@H]1CCNC(=O)CC1)C1CC1 ZINC000634958597 345132471 /nfs/dbraw/zinc/13/24/71/345132471.db2.gz UVHSARQOUYFZRI-LLVKDONJSA-N 2 2 239.363 0.729 20 0 BCADLP Cc1n[nH]cc1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000635001151 345203034 /nfs/dbraw/zinc/20/30/34/345203034.db2.gz IJLUEAAMKHJIJO-UHFFFAOYSA-N 2 2 238.335 0.264 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NCC1CCC1 ZINC000566569125 345219271 /nfs/dbraw/zinc/21/92/71/345219271.db2.gz ISEQXQDNILLSNJ-PWSUYJOCSA-N 2 2 239.363 0.714 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NCC1CCC1 ZINC000566569125 345219272 /nfs/dbraw/zinc/21/92/72/345219272.db2.gz ISEQXQDNILLSNJ-PWSUYJOCSA-N 2 2 239.363 0.714 20 0 BCADLP CCCC[C@@H](C[NH3+])NC(=O)CCn1cc[nH+]c1 ZINC000130405792 345274720 /nfs/dbraw/zinc/27/47/20/345274720.db2.gz ABJMTXLIMLAROS-NSHDSACASA-N 2 2 238.335 0.907 20 0 BCADLP CCCC[C@@H]([NH3+])C(=O)NCCc1[nH]cc[nH+]1 ZINC000159105556 345409746 /nfs/dbraw/zinc/40/97/46/345409746.db2.gz HCFLPMDXUBYYOA-SECBINFHSA-N 2 2 224.308 0.586 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)C1(C[NH+](C)C)CC1 ZINC000635497218 345399818 /nfs/dbraw/zinc/39/98/18/345399818.db2.gz XAHCOTIHAATSIB-UHFFFAOYSA-N 2 2 236.319 0.378 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081633386 345488630 /nfs/dbraw/zinc/48/86/30/345488630.db2.gz RRJLEDWTEOOXDW-ZYHUDNBSSA-N 2 2 239.363 0.524 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081633386 345488632 /nfs/dbraw/zinc/48/86/32/345488632.db2.gz RRJLEDWTEOOXDW-ZYHUDNBSSA-N 2 2 239.363 0.524 20 0 BCADLP C[C@H](C(N)=O)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081633386 345488634 /nfs/dbraw/zinc/48/86/34/345488634.db2.gz RRJLEDWTEOOXDW-ZYHUDNBSSA-N 2 2 239.363 0.524 20 0 BCADLP C[C@H](C(N)=O)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081633386 345488636 /nfs/dbraw/zinc/48/86/36/345488636.db2.gz RRJLEDWTEOOXDW-ZYHUDNBSSA-N 2 2 239.363 0.524 20 0 BCADLP C[NH+](C)CC1(C(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000635549516 345603161 /nfs/dbraw/zinc/60/31/61/345603161.db2.gz AFDOCPPICYWZAW-UHFFFAOYSA-N 2 2 222.292 0.368 20 0 BCADLP C[N@@H+]1CC[C@@H](CC(=O)NCc2[nH]cc[nH+]2)C1 ZINC000635551156 345625808 /nfs/dbraw/zinc/62/58/08/345625808.db2.gz LRNWWUATRNIVCT-VIFPVBQESA-N 2 2 222.292 0.368 20 0 BCADLP C[N@H+]1CC[C@@H](CC(=O)NCc2[nH]cc[nH+]2)C1 ZINC000635551156 345625810 /nfs/dbraw/zinc/62/58/10/345625810.db2.gz LRNWWUATRNIVCT-VIFPVBQESA-N 2 2 222.292 0.368 20 0 BCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)CC(C)(C)C ZINC000093171013 345657952 /nfs/dbraw/zinc/65/79/52/345657952.db2.gz LVSGQCLDFHVDAS-UHFFFAOYSA-N 2 2 241.379 0.738 20 0 BCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC(C)(C)C ZINC000093171013 345657956 /nfs/dbraw/zinc/65/79/56/345657956.db2.gz LVSGQCLDFHVDAS-UHFFFAOYSA-N 2 2 241.379 0.738 20 0 BCADLP Nc1cnccc1C[NH2+]CC[NH+]1CCCC1 ZINC000641703261 362612160 /nfs/dbraw/zinc/61/21/60/362612160.db2.gz LHQMEWLGHAZIKW-UHFFFAOYSA-N 2 2 220.320 0.849 20 0 BCADLP Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1 ZINC000211136751 345737460 /nfs/dbraw/zinc/73/74/60/345737460.db2.gz WSPBSEPOWVVAJG-AWEZNQCLSA-N 2 2 233.359 0.988 20 0 BCADLP C[N@@H+]1CC[C@@H](CC(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000635565057 345787841 /nfs/dbraw/zinc/78/78/41/345787841.db2.gz KTTKNTJXYYBDSC-NSHDSACASA-N 2 2 248.330 0.608 20 0 BCADLP C[N@H+]1CC[C@@H](CC(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000635565057 345787845 /nfs/dbraw/zinc/78/78/45/345787845.db2.gz KTTKNTJXYYBDSC-NSHDSACASA-N 2 2 248.330 0.608 20 0 BCADLP C[C@H](CNC(=O)[C@@H](C)[NH+](C)C)Cn1cc[nH+]c1 ZINC000635593077 345884994 /nfs/dbraw/zinc/88/49/94/345884994.db2.gz SXANJEDMTURINE-GHMZBOCLSA-N 2 2 238.335 0.586 20 0 BCADLP COC(=O)[C@@H](C)[N@@H+](C)CCn1cc[nH+]c1 ZINC000280512643 345912446 /nfs/dbraw/zinc/91/24/46/345912446.db2.gz DDZMGYURHYISOA-SECBINFHSA-N 2 2 211.265 0.376 20 0 BCADLP CCC[NH2+][C@@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662935705 537935244 /nfs/dbraw/zinc/93/52/44/537935244.db2.gz XZOOAYHIKASPFJ-UWVGGRQHSA-N 2 2 238.335 0.985 20 0 BCADLP C[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000586754190 346060702 /nfs/dbraw/zinc/06/07/02/346060702.db2.gz YMYUIESIOULUHE-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cnc2cnccn12 ZINC000333088411 187365285 /nfs/dbraw/zinc/36/52/85/187365285.db2.gz CANFJLBUFNBEPX-NSHDSACASA-N 2 2 245.330 0.959 20 0 BCADLP C[C@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[NH+](C)C ZINC000635821338 346076940 /nfs/dbraw/zinc/07/69/40/346076940.db2.gz VYUOPMLHPWOBKG-NXEZZACHSA-N 2 2 236.319 0.264 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](O)C1 ZINC000313986200 323105097 /nfs/dbraw/zinc/10/50/97/323105097.db2.gz JSZSQAJOJNPXNE-NSHDSACASA-N 2 2 209.293 0.419 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](O)C1 ZINC000313986200 323105098 /nfs/dbraw/zinc/10/50/98/323105098.db2.gz JSZSQAJOJNPXNE-NSHDSACASA-N 2 2 209.293 0.419 20 0 BCADLP [NH3+]CC[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000563269870 323107175 /nfs/dbraw/zinc/10/71/75/323107175.db2.gz ZTCGZGPAAJGZFJ-RKDXNWHRSA-N 2 2 202.323 0.151 20 0 BCADLP [NH3+]CC[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000563269870 323107176 /nfs/dbraw/zinc/10/71/76/323107176.db2.gz ZTCGZGPAAJGZFJ-RKDXNWHRSA-N 2 2 202.323 0.151 20 0 BCADLP CCn1cc[nH+]c1CNC(=O)[C@@H](C)[NH+](C)C ZINC000635982950 346136831 /nfs/dbraw/zinc/13/68/31/346136831.db2.gz JPGGUJVYCFPYAP-SECBINFHSA-N 2 2 224.308 0.469 20 0 BCADLP Cc1ncc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)o1 ZINC000628239642 346200247 /nfs/dbraw/zinc/20/02/47/346200247.db2.gz ZGJWDIZZGKSPMG-LLVKDONJSA-N 2 2 225.292 0.139 20 0 BCADLP Cc1ncc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)o1 ZINC000628239642 346200249 /nfs/dbraw/zinc/20/02/49/346200249.db2.gz ZGJWDIZZGKSPMG-LLVKDONJSA-N 2 2 225.292 0.139 20 0 BCADLP C[N@@H+]1CC[C@@H]([NH2+]C2(C(N)=O)CC2)CC1(C)C ZINC000628238078 346195151 /nfs/dbraw/zinc/19/51/51/346195151.db2.gz KIESFSIEGHWRCL-SECBINFHSA-N 2 2 225.336 0.467 20 0 BCADLP C[N@H+]1CC[C@@H]([NH2+]C2(C(N)=O)CC2)CC1(C)C ZINC000628238078 346195152 /nfs/dbraw/zinc/19/51/52/346195152.db2.gz KIESFSIEGHWRCL-SECBINFHSA-N 2 2 225.336 0.467 20 0 BCADLP CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1CCC1 ZINC000563351060 323120206 /nfs/dbraw/zinc/12/02/06/323120206.db2.gz VLNRILXGXCBEDM-ZDUSSCGKSA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1CCC1 ZINC000563351060 323120207 /nfs/dbraw/zinc/12/02/07/323120207.db2.gz VLNRILXGXCBEDM-ZDUSSCGKSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1CCC1 ZINC000563351060 323120208 /nfs/dbraw/zinc/12/02/08/323120208.db2.gz VLNRILXGXCBEDM-ZDUSSCGKSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1CCC1 ZINC000563351060 323120209 /nfs/dbraw/zinc/12/02/09/323120209.db2.gz VLNRILXGXCBEDM-ZDUSSCGKSA-N 2 2 244.379 0.800 20 0 BCADLP [NH3+]CCCCC(=O)NCCCn1cc[nH+]c1 ZINC000069732903 349954766 /nfs/dbraw/zinc/95/47/66/349954766.db2.gz RAFVZVLIAXBSOT-UHFFFAOYSA-N 2 2 224.308 0.518 20 0 BCADLP CC[NH+](CC)CCNC(=O)Cn1cc[nH+]c1 ZINC000582036437 347091003 /nfs/dbraw/zinc/09/10/03/347091003.db2.gz HBXIATSUBLYFLG-UHFFFAOYSA-N 2 2 224.308 0.341 20 0 BCADLP C[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C[C@@H]1C[NH3+] ZINC000641797960 362738551 /nfs/dbraw/zinc/73/85/51/362738551.db2.gz AXXRPFLJMCBUHV-RYUDHWBXSA-N 3 2 236.363 0.879 20 0 BCADLP C[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)C[C@@H]1C[NH3+] ZINC000641797960 362738556 /nfs/dbraw/zinc/73/85/56/362738556.db2.gz AXXRPFLJMCBUHV-RYUDHWBXSA-N 3 2 236.363 0.879 20 0 BCADLP Cn1c[nH+]cc1CC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000641797509 362742747 /nfs/dbraw/zinc/74/27/47/362742747.db2.gz DBMVXPCHKLMMCK-LBPRGKRZSA-N 3 2 222.336 0.680 20 0 BCADLP Cn1cncc1CC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000641797509 362742754 /nfs/dbraw/zinc/74/27/54/362742754.db2.gz DBMVXPCHKLMMCK-LBPRGKRZSA-N 2 2 222.336 0.680 20 0 BCADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCc1c[nH+]cn1C ZINC000641798165 362743016 /nfs/dbraw/zinc/74/30/16/362743016.db2.gz LWOKWSJFLIHHSB-WDEREUQCSA-N 3 2 222.336 0.632 20 0 BCADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCc1c[nH+]cn1C ZINC000641798165 362743022 /nfs/dbraw/zinc/74/30/22/362743022.db2.gz LWOKWSJFLIHHSB-WDEREUQCSA-N 3 2 222.336 0.632 20 0 BCADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCc1c[nH+]cn1C ZINC000641798164 362743091 /nfs/dbraw/zinc/74/30/91/362743091.db2.gz LWOKWSJFLIHHSB-QWRGUYRKSA-N 3 2 222.336 0.632 20 0 BCADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCc1c[nH+]cn1C ZINC000641798164 362743096 /nfs/dbraw/zinc/74/30/96/362743096.db2.gz LWOKWSJFLIHHSB-QWRGUYRKSA-N 3 2 222.336 0.632 20 0 BCADLP CCc1nc(C)c(C[N@H+](C)C[C@@H](O)C[NH3+])o1 ZINC000641798337 362744672 /nfs/dbraw/zinc/74/46/72/362744672.db2.gz FVDFXBVDLFZFRU-VIFPVBQESA-N 2 2 227.308 0.297 20 0 BCADLP CCc1nc(C)c(C[N@@H+](C)C[C@@H](O)C[NH3+])o1 ZINC000641798337 362744684 /nfs/dbraw/zinc/74/46/84/362744684.db2.gz FVDFXBVDLFZFRU-VIFPVBQESA-N 2 2 227.308 0.297 20 0 BCADLP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)on1 ZINC000641799778 362749814 /nfs/dbraw/zinc/74/98/14/362749814.db2.gz ZBPDQCJUFZHECI-RKDXNWHRSA-N 2 2 225.292 0.852 20 0 BCADLP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)on1 ZINC000641799778 362749818 /nfs/dbraw/zinc/74/98/18/362749818.db2.gz ZBPDQCJUFZHECI-RKDXNWHRSA-N 2 2 225.292 0.852 20 0 BCADLP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)on1 ZINC000641796951 362739648 /nfs/dbraw/zinc/73/96/48/362739648.db2.gz NKBKTWRHXWJEML-SCZZXKLOSA-N 2 2 225.292 0.852 20 0 BCADLP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)on1 ZINC000641796951 362739653 /nfs/dbraw/zinc/73/96/53/362739653.db2.gz NKBKTWRHXWJEML-SCZZXKLOSA-N 2 2 225.292 0.852 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000641796755 362740097 /nfs/dbraw/zinc/74/00/97/362740097.db2.gz JALKGKSQPLCIFG-NSHDSACASA-N 3 2 222.336 0.776 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000641796755 362740100 /nfs/dbraw/zinc/74/01/00/362740100.db2.gz JALKGKSQPLCIFG-NSHDSACASA-N 3 2 222.336 0.776 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000641796972 362741662 /nfs/dbraw/zinc/74/16/62/362741662.db2.gz OCLOSVIZJYOGKO-LBPRGKRZSA-N 3 2 236.363 0.894 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000641796972 362741663 /nfs/dbraw/zinc/74/16/63/362741663.db2.gz OCLOSVIZJYOGKO-LBPRGKRZSA-N 3 2 236.363 0.894 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000641808385 362762759 /nfs/dbraw/zinc/76/27/59/362762759.db2.gz URILMTXDNICXBC-WOPDTQHZSA-N 2 2 247.342 0.928 20 0 BCADLP CC[N@H+](Cc1ccccn1)C[C@](C)(O)C[NH2+]C ZINC000580083694 346515883 /nfs/dbraw/zinc/51/58/83/346515883.db2.gz DMCZJUOCYNOUAQ-CYBMUJFWSA-N 2 2 237.347 0.874 20 0 BCADLP CC[N@@H+](Cc1ccccn1)C[C@](C)(O)C[NH2+]C ZINC000580083694 346515886 /nfs/dbraw/zinc/51/58/86/346515886.db2.gz DMCZJUOCYNOUAQ-CYBMUJFWSA-N 2 2 237.347 0.874 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ncnn1CCF ZINC000641801582 362756941 /nfs/dbraw/zinc/75/69/41/362756941.db2.gz SUTSVZXRKKNWEX-BDAKNGLRSA-N 2 2 241.314 0.463 20 0 BCADLP COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000603434942 349967899 /nfs/dbraw/zinc/96/78/99/349967899.db2.gz VDYDOGPAKSBQPB-VWYCJHECSA-N 2 2 244.310 0.571 20 0 BCADLP COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000603434942 349967902 /nfs/dbraw/zinc/96/79/02/349967902.db2.gz VDYDOGPAKSBQPB-VWYCJHECSA-N 2 2 244.310 0.571 20 0 BCADLP Cc1cc(CNC(=O)CC[NH3+])cc(C)[nH+]1 ZINC000580713227 346591838 /nfs/dbraw/zinc/59/18/38/346591838.db2.gz AJXVHGPDOGSLRU-UHFFFAOYSA-N 2 2 207.277 0.663 20 0 BCADLP COC[C@H](C)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000187746409 346605888 /nfs/dbraw/zinc/60/58/88/346605888.db2.gz WATLLXXYBHAMSN-GHMZBOCLSA-N 2 2 200.326 0.953 20 0 BCADLP COC[C@H](C)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000187746409 346605891 /nfs/dbraw/zinc/60/58/91/346605891.db2.gz WATLLXXYBHAMSN-GHMZBOCLSA-N 2 2 200.326 0.953 20 0 BCADLP Cc1cccc(NCCC[N@H+]2CCNC(=O)C2)[nH+]1 ZINC000278821992 179144036 /nfs/dbraw/zinc/14/40/36/179144036.db2.gz UBINSRDSDBUTJR-UHFFFAOYSA-N 2 2 248.330 0.624 20 0 BCADLP OC1CC[NH+](CCC[NH2+]Cc2cn[nH]c2)CC1 ZINC000589843514 346743712 /nfs/dbraw/zinc/74/37/12/346743712.db2.gz NVRKIEDQOZJMQQ-UHFFFAOYSA-N 2 2 238.335 0.346 20 0 BCADLP CCC(F)(F)C[N@H+](C)CCOCC[NH3+] ZINC000641819070 362770828 /nfs/dbraw/zinc/77/08/28/362770828.db2.gz HGCDLHKXSSWYRP-UHFFFAOYSA-N 2 2 210.268 0.939 20 0 BCADLP CCC(F)(F)C[N@@H+](C)CCOCC[NH3+] ZINC000641819070 362770834 /nfs/dbraw/zinc/77/08/34/362770834.db2.gz HGCDLHKXSSWYRP-UHFFFAOYSA-N 2 2 210.268 0.939 20 0 BCADLP C[C@]1(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]C1 ZINC000622003577 370654615 /nfs/dbraw/zinc/65/46/15/370654615.db2.gz BXUUITCPGKAGGY-FRRDWIJNSA-N 3 2 223.364 0.799 20 0 BCADLP C[C@]1(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]C1 ZINC000622003577 370654621 /nfs/dbraw/zinc/65/46/21/370654621.db2.gz BXUUITCPGKAGGY-FRRDWIJNSA-N 3 2 223.364 0.799 20 0 BCADLP C[C@]1(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]C1 ZINC000622003578 370653904 /nfs/dbraw/zinc/65/39/04/370653904.db2.gz BXUUITCPGKAGGY-RWMBFGLXSA-N 3 2 223.364 0.799 20 0 BCADLP C[C@]1(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]C1 ZINC000622003578 370653905 /nfs/dbraw/zinc/65/39/05/370653905.db2.gz BXUUITCPGKAGGY-RWMBFGLXSA-N 3 2 223.364 0.799 20 0 BCADLP COc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)on1 ZINC000641819027 362771434 /nfs/dbraw/zinc/77/14/34/362771434.db2.gz GIPOZVRMXDPEJU-RKDXNWHRSA-N 2 2 225.292 0.710 20 0 BCADLP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)on1 ZINC000641819027 362771436 /nfs/dbraw/zinc/77/14/36/362771436.db2.gz GIPOZVRMXDPEJU-RKDXNWHRSA-N 2 2 225.292 0.710 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)CC(C)(C)[NH3+] ZINC000641822972 362772008 /nfs/dbraw/zinc/77/20/08/362772008.db2.gz OMLMWQKKBFIXIH-UHFFFAOYSA-N 3 2 210.325 0.632 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)CC(C)(C)[NH3+] ZINC000641822972 362772013 /nfs/dbraw/zinc/77/20/13/362772013.db2.gz OMLMWQKKBFIXIH-UHFFFAOYSA-N 3 2 210.325 0.632 20 0 BCADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000250611036 362812602 /nfs/dbraw/zinc/81/26/02/362812602.db2.gz MQYJCJHAUZGVAV-WDEREUQCSA-N 2 2 225.336 0.339 20 0 BCADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000250611036 362812609 /nfs/dbraw/zinc/81/26/09/362812609.db2.gz MQYJCJHAUZGVAV-WDEREUQCSA-N 2 2 225.336 0.339 20 0 BCADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCNC(=O)C1 ZINC000250454584 362805300 /nfs/dbraw/zinc/80/53/00/362805300.db2.gz ZYOGYOZZVDQBIJ-RYUDHWBXSA-N 2 2 239.363 0.729 20 0 BCADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCNC(=O)C1 ZINC000250454584 362805304 /nfs/dbraw/zinc/80/53/04/362805304.db2.gz ZYOGYOZZVDQBIJ-RYUDHWBXSA-N 2 2 239.363 0.729 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cnn(C)c1 ZINC000310442274 347282931 /nfs/dbraw/zinc/28/29/31/347282931.db2.gz WCTTUXRNAPDSAM-ZYHUDNBSSA-N 2 2 240.351 0.383 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cnn(C)c1 ZINC000310442274 347282935 /nfs/dbraw/zinc/28/29/35/347282935.db2.gz WCTTUXRNAPDSAM-ZYHUDNBSSA-N 2 2 240.351 0.383 20 0 BCADLP C[N@H+](CCC[NH3+])CC(=O)NC(C)(C)C ZINC000019834696 347360580 /nfs/dbraw/zinc/36/05/80/347360580.db2.gz VLBZIJZDWZTNML-UHFFFAOYSA-N 2 2 201.314 0.182 20 0 BCADLP C[N@@H+](CCC[NH3+])CC(=O)NC(C)(C)C ZINC000019834696 347360583 /nfs/dbraw/zinc/36/05/83/347360583.db2.gz VLBZIJZDWZTNML-UHFFFAOYSA-N 2 2 201.314 0.182 20 0 BCADLP Cc1cccc2[nH+]c(CNC(=O)[C@H]3CC[NH2+]3)cn21 ZINC000336424152 179230609 /nfs/dbraw/zinc/23/06/09/179230609.db2.gz BPZMAIRCQMFQDY-LLVKDONJSA-N 2 2 244.298 0.621 20 0 BCADLP Cc1[nH+]ccn1CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616922073 347452539 /nfs/dbraw/zinc/45/25/39/347452539.db2.gz OMBNOXZHMJLKOA-UHFFFAOYSA-N 2 2 233.275 0.573 20 0 BCADLP Cc1[nH+]ccn1CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616922073 347452540 /nfs/dbraw/zinc/45/25/40/347452540.db2.gz OMBNOXZHMJLKOA-UHFFFAOYSA-N 2 2 233.275 0.573 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCNC(=O)CC1 ZINC000396665243 362827745 /nfs/dbraw/zinc/82/77/45/362827745.db2.gz VRGUTMYITIZRLX-GHMZBOCLSA-N 2 2 225.336 0.339 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCNC(=O)CC1 ZINC000396665243 362827748 /nfs/dbraw/zinc/82/77/48/362827748.db2.gz VRGUTMYITIZRLX-GHMZBOCLSA-N 2 2 225.336 0.339 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000616925395 347456595 /nfs/dbraw/zinc/45/65/95/347456595.db2.gz GKVPZLUOBTUDER-SNVBAGLBSA-N 2 2 222.292 0.462 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CCC[N@H+]1C ZINC000616925395 347456596 /nfs/dbraw/zinc/45/65/96/347456596.db2.gz GKVPZLUOBTUDER-SNVBAGLBSA-N 2 2 222.292 0.462 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000616925395 347456599 /nfs/dbraw/zinc/45/65/99/347456599.db2.gz GKVPZLUOBTUDER-SNVBAGLBSA-N 2 2 222.292 0.462 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000396743379 362832289 /nfs/dbraw/zinc/83/22/89/362832289.db2.gz VBLMYDDKCOLCSV-RYUDHWBXSA-N 2 2 239.363 0.729 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000396743379 362832293 /nfs/dbraw/zinc/83/22/93/362832293.db2.gz VBLMYDDKCOLCSV-RYUDHWBXSA-N 2 2 239.363 0.729 20 0 BCADLP C[NH+](C)CC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590725065 347495588 /nfs/dbraw/zinc/49/55/88/347495588.db2.gz BGJZPNPHARXIAG-NSHDSACASA-N 2 2 236.319 0.608 20 0 BCADLP C[N@@H+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1(C)C ZINC000493091170 347523005 /nfs/dbraw/zinc/52/30/05/347523005.db2.gz YQPCFUVJOFSIBL-SNAWJCMRSA-N 2 2 248.330 0.976 20 0 BCADLP C[N@H+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1(C)C ZINC000493091170 347523007 /nfs/dbraw/zinc/52/30/07/347523007.db2.gz YQPCFUVJOFSIBL-SNAWJCMRSA-N 2 2 248.330 0.976 20 0 BCADLP CC(C)CNC(=[NH2+])NC[C@H]1C[N@H+](C)CCO1 ZINC000082431889 347592043 /nfs/dbraw/zinc/59/20/43/347592043.db2.gz SYAYOVZDNRDYHR-JTQLQIEISA-N 2 2 228.340 0.087 20 0 BCADLP CC(C)CNC(=[NH2+])NC[C@H]1C[N@@H+](C)CCO1 ZINC000082431889 347592046 /nfs/dbraw/zinc/59/20/46/347592046.db2.gz SYAYOVZDNRDYHR-JTQLQIEISA-N 2 2 228.340 0.087 20 0 BCADLP COC(=O)CC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591447830 347663617 /nfs/dbraw/zinc/66/36/17/347663617.db2.gz AKIJJBBEHSZBDU-ZJUUUORDSA-N 2 2 212.293 0.233 20 0 BCADLP COC(=O)CC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591447830 347663619 /nfs/dbraw/zinc/66/36/19/347663619.db2.gz AKIJJBBEHSZBDU-ZJUUUORDSA-N 2 2 212.293 0.233 20 0 BCADLP OCCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867612 347707605 /nfs/dbraw/zinc/70/76/05/347707605.db2.gz QBYLLYCAHAEGNZ-NSHDSACASA-N 2 2 209.293 0.902 20 0 BCADLP OCCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867612 347707607 /nfs/dbraw/zinc/70/76/07/347707607.db2.gz QBYLLYCAHAEGNZ-NSHDSACASA-N 2 2 209.293 0.902 20 0 BCADLP CCNC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591916153 347708567 /nfs/dbraw/zinc/70/85/67/347708567.db2.gz YNINGAVTFBEBTH-NSHDSACASA-N 2 2 236.319 0.656 20 0 BCADLP CCNC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591916153 347708569 /nfs/dbraw/zinc/70/85/69/347708569.db2.gz YNINGAVTFBEBTH-NSHDSACASA-N 2 2 236.319 0.656 20 0 BCADLP CCOC(=O)CC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591449567 347664497 /nfs/dbraw/zinc/66/44/97/347664497.db2.gz WICZSAPMFMJARV-QWRGUYRKSA-N 2 2 226.320 0.623 20 0 BCADLP CCOC(=O)CC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591449567 347664499 /nfs/dbraw/zinc/66/44/99/347664499.db2.gz WICZSAPMFMJARV-QWRGUYRKSA-N 2 2 226.320 0.623 20 0 BCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cnnn1C ZINC000346693356 535065745 /nfs/dbraw/zinc/06/57/45/535065745.db2.gz MMDRPWJJPGYJMI-LLVKDONJSA-N 2 2 225.340 0.620 20 0 BCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cnnn1C ZINC000346693356 535065753 /nfs/dbraw/zinc/06/57/53/535065753.db2.gz MMDRPWJJPGYJMI-LLVKDONJSA-N 2 2 225.340 0.620 20 0 BCADLP CCOC(=O)[C@@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000592485194 347786185 /nfs/dbraw/zinc/78/61/85/347786185.db2.gz QWZRLWQHHWDFIC-SECBINFHSA-N 2 2 214.309 0.751 20 0 BCADLP CC[C@@H](C)[N@@H+](CC(=O)OC)C[C@@H]1CC[NH2+]C1 ZINC000592495845 347788270 /nfs/dbraw/zinc/78/82/70/347788270.db2.gz SBJLPYQWLBJOTF-GHMZBOCLSA-N 2 2 228.336 0.869 20 0 BCADLP CC[C@@H](C)[N@H+](CC(=O)OC)C[C@@H]1CC[NH2+]C1 ZINC000592495845 347788274 /nfs/dbraw/zinc/78/82/74/347788274.db2.gz SBJLPYQWLBJOTF-GHMZBOCLSA-N 2 2 228.336 0.869 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N[C@H](C)CC[NH3+] ZINC000493400135 347791379 /nfs/dbraw/zinc/79/13/79/347791379.db2.gz IVXVEFCUCUTRAS-ORAHPGNNSA-N 2 2 236.319 0.770 20 0 BCADLP O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2CCCn1cc[nH+]c1 ZINC000593098798 347856228 /nfs/dbraw/zinc/85/62/28/347856228.db2.gz DWKYITYSLNUSKZ-XMZIXOGTSA-N 2 2 239.344 0.478 20 0 BCADLP O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2CCCn1cc[nH+]c1 ZINC000593098798 347856230 /nfs/dbraw/zinc/85/62/30/347856230.db2.gz DWKYITYSLNUSKZ-XMZIXOGTSA-N 2 2 239.344 0.478 20 0 BCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593100481 347857244 /nfs/dbraw/zinc/85/72/44/347857244.db2.gz NRCJXQVHWAFTMW-YWDSYVAPSA-N 2 2 242.388 0.676 20 0 BCADLP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593100481 347857246 /nfs/dbraw/zinc/85/72/46/347857246.db2.gz NRCJXQVHWAFTMW-YWDSYVAPSA-N 2 2 242.388 0.676 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593100481 347857248 /nfs/dbraw/zinc/85/72/48/347857248.db2.gz NRCJXQVHWAFTMW-YWDSYVAPSA-N 2 2 242.388 0.676 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593100481 347857250 /nfs/dbraw/zinc/85/72/50/347857250.db2.gz NRCJXQVHWAFTMW-YWDSYVAPSA-N 2 2 242.388 0.676 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593101842 347857405 /nfs/dbraw/zinc/85/74/05/347857405.db2.gz RDIGNRZZVKUCTL-MMPTUQATSA-N 2 2 239.344 0.397 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593101842 347857408 /nfs/dbraw/zinc/85/74/08/347857408.db2.gz RDIGNRZZVKUCTL-MMPTUQATSA-N 2 2 239.344 0.397 20 0 BCADLP Cn1nccc1C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000577374655 365937358 /nfs/dbraw/zinc/93/73/58/365937358.db2.gz FXOJKSUZQBRXTK-NSHDSACASA-N 2 2 208.309 0.637 20 0 BCADLP C[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000577382467 365940422 /nfs/dbraw/zinc/94/04/22/365940422.db2.gz KFWKVOLDNXSHMK-QWRGUYRKSA-N 2 2 236.319 0.655 20 0 BCADLP CS[C@H](C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593905568 347968695 /nfs/dbraw/zinc/96/86/95/347968695.db2.gz WDKWTSLNDFNKKF-BDAKNGLRSA-N 2 2 233.381 0.133 20 0 BCADLP [NH3+]CC(F)(F)CC(=O)NCc1[nH]cc[nH+]1 ZINC000567175651 323173412 /nfs/dbraw/zinc/17/34/12/323173412.db2.gz ZCQJJDIQQNHYAJ-UHFFFAOYSA-N 2 2 218.207 0.010 20 0 BCADLP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000594952912 348147866 /nfs/dbraw/zinc/14/78/66/348147866.db2.gz FCDZGZYALQHWPS-ZRUFSTJUSA-N 2 2 228.336 0.724 20 0 BCADLP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000594953538 348148557 /nfs/dbraw/zinc/14/85/57/348148557.db2.gz IBEMUHQPKWFHIF-XWLWVQCSSA-N 2 2 228.336 0.724 20 0 BCADLP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000594920034 348154030 /nfs/dbraw/zinc/15/40/30/348154030.db2.gz RGSWHBCWXPWXDA-OUAUKWLOSA-N 2 2 237.303 0.670 20 0 BCADLP CS[C@H](CO)[C@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000594921156 348155077 /nfs/dbraw/zinc/15/50/77/348155077.db2.gz JDKUJIDVYMXCRP-GZMMTYOYSA-N 2 2 243.376 0.931 20 0 BCADLP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC[NH+](C)C ZINC000594922179 348155552 /nfs/dbraw/zinc/15/55/52/348155552.db2.gz HZAGAKUMTYZADW-LPEHRKFASA-N 2 2 214.309 0.335 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000382215232 490136783 /nfs/dbraw/zinc/13/67/83/490136783.db2.gz LRPVSNHOSRURDR-OOCWMUITSA-N 2 2 210.321 0.846 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000382215232 490136789 /nfs/dbraw/zinc/13/67/89/490136789.db2.gz LRPVSNHOSRURDR-OOCWMUITSA-N 2 2 210.321 0.846 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000595154337 348201483 /nfs/dbraw/zinc/20/14/83/348201483.db2.gz TWZMXBPLHVJVEU-VXGBXAGGSA-N 2 2 249.362 0.609 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000595154337 348201487 /nfs/dbraw/zinc/20/14/87/348201487.db2.gz TWZMXBPLHVJVEU-VXGBXAGGSA-N 2 2 249.362 0.609 20 0 BCADLP C[C@@H]1CSCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000251688290 362898354 /nfs/dbraw/zinc/89/83/54/362898354.db2.gz IEFOVABKVLLNMO-NXEZZACHSA-N 2 2 216.350 0.412 20 0 BCADLP C[C@@H]1CSCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000251688290 362898358 /nfs/dbraw/zinc/89/83/58/362898358.db2.gz IEFOVABKVLLNMO-NXEZZACHSA-N 2 2 216.350 0.412 20 0 BCADLP COC(=O)C[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000595892112 348390875 /nfs/dbraw/zinc/39/08/75/348390875.db2.gz KSNRKQLWVUGBAR-MNOVXSKESA-N 2 2 242.319 0.002 20 0 BCADLP CC(C)NC(=O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000129781702 490169041 /nfs/dbraw/zinc/16/90/41/490169041.db2.gz LJASLXNAIAERIA-QWRGUYRKSA-N 2 2 227.352 0.583 20 0 BCADLP CC(C)NC(=O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000129781702 490169048 /nfs/dbraw/zinc/16/90/48/490169048.db2.gz LJASLXNAIAERIA-QWRGUYRKSA-N 2 2 227.352 0.583 20 0 BCADLP COC(=O)CC1([NH2+]Cc2c[nH+]c(C)n2C)CC1 ZINC000597157677 348665976 /nfs/dbraw/zinc/66/59/76/348665976.db2.gz HQPGBCWHTFNQKD-UHFFFAOYSA-N 2 2 237.303 0.914 20 0 BCADLP COC(=O)[C@H](C)C[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000596991725 348644106 /nfs/dbraw/zinc/64/41/06/348644106.db2.gz NYWSUXURLQGEPP-SECBINFHSA-N 2 2 239.319 0.969 20 0 BCADLP COC(=O)[C@H](C)C[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000596991725 348644109 /nfs/dbraw/zinc/64/41/09/348644109.db2.gz NYWSUXURLQGEPP-SECBINFHSA-N 2 2 239.319 0.969 20 0 BCADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cn(C)nn1 ZINC000054860970 348716727 /nfs/dbraw/zinc/71/67/27/348716727.db2.gz NHLCQJXGLFAPEJ-VIFPVBQESA-N 2 2 211.313 0.245 20 0 BCADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cn(C)nn1 ZINC000054860973 348717006 /nfs/dbraw/zinc/71/70/06/348717006.db2.gz NHLCQJXGLFAPEJ-SECBINFHSA-N 2 2 211.313 0.245 20 0 BCADLP C[NH2+]CCNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000420161486 192166107 /nfs/dbraw/zinc/16/61/07/192166107.db2.gz WAEAKJDAILZJMW-UHFFFAOYSA-N 2 2 243.314 0.900 20 0 BCADLP C[NH2+]CCNc1cc[nH+]c2ccncc12 ZINC000420156021 192164303 /nfs/dbraw/zinc/16/43/03/192164303.db2.gz MACAKZQIOHQKLR-UHFFFAOYSA-N 2 2 202.261 0.683 20 0 BCADLP CCOC(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598684734 349015801 /nfs/dbraw/zinc/01/58/01/349015801.db2.gz YEFDDBDGAKFQJC-JQWIXIFHSA-N 2 2 226.320 0.753 20 0 BCADLP CCOC(=O)CC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598684734 349015805 /nfs/dbraw/zinc/01/58/05/349015805.db2.gz YEFDDBDGAKFQJC-JQWIXIFHSA-N 2 2 226.320 0.753 20 0 BCADLP CC[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000383604209 349124839 /nfs/dbraw/zinc/12/48/39/349124839.db2.gz RBLHOMJXPZPHJG-STQMWFEESA-N 2 2 244.379 0.657 20 0 BCADLP CC[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000383604209 349124844 /nfs/dbraw/zinc/12/48/44/349124844.db2.gz RBLHOMJXPZPHJG-STQMWFEESA-N 2 2 244.379 0.657 20 0 BCADLP CC[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000383604209 349124847 /nfs/dbraw/zinc/12/48/47/349124847.db2.gz RBLHOMJXPZPHJG-STQMWFEESA-N 2 2 244.379 0.657 20 0 BCADLP CC[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000383604209 349124851 /nfs/dbraw/zinc/12/48/51/349124851.db2.gz RBLHOMJXPZPHJG-STQMWFEESA-N 2 2 244.379 0.657 20 0 BCADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000251616272 349189207 /nfs/dbraw/zinc/18/92/07/349189207.db2.gz PZBMAKLJVNBBNB-GXSJLCMTSA-N 2 2 225.336 0.134 20 0 BCADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000251616272 349189209 /nfs/dbraw/zinc/18/92/09/349189209.db2.gz PZBMAKLJVNBBNB-GXSJLCMTSA-N 2 2 225.336 0.134 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000250400881 349170801 /nfs/dbraw/zinc/17/08/01/349170801.db2.gz SKLUKIFSVJSGGH-RWMBFGLXSA-N 3 2 240.395 0.092 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000250400881 349170805 /nfs/dbraw/zinc/17/08/05/349170805.db2.gz SKLUKIFSVJSGGH-RWMBFGLXSA-N 3 2 240.395 0.092 20 0 BCADLP COC[C@@H](O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000601835845 349362988 /nfs/dbraw/zinc/36/29/88/349362988.db2.gz DTKSFXHTVPCBBZ-RYUDHWBXSA-N 2 2 239.319 0.527 20 0 BCADLP COC[C@@H](O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000601835845 349362992 /nfs/dbraw/zinc/36/29/92/349362992.db2.gz DTKSFXHTVPCBBZ-RYUDHWBXSA-N 2 2 239.319 0.527 20 0 BCADLP CCc1noc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000252771097 490267932 /nfs/dbraw/zinc/26/79/32/490267932.db2.gz LLERNUDTKLMGDS-IUCAKERBSA-N 2 2 224.308 0.801 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C(=O)OC)C1 ZINC000070800204 350059281 /nfs/dbraw/zinc/05/92/81/350059281.db2.gz MVPKXTDAEKYNPT-RKDXNWHRSA-N 2 2 200.282 0.089 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(=O)OC)C1 ZINC000070800204 350059284 /nfs/dbraw/zinc/05/92/84/350059284.db2.gz MVPKXTDAEKYNPT-RKDXNWHRSA-N 2 2 200.282 0.089 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC000070799895 350061039 /nfs/dbraw/zinc/06/10/39/350061039.db2.gz RLSLUFRXIKUFDK-LLVKDONJSA-N 2 2 225.336 0.150 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000070799895 350061042 /nfs/dbraw/zinc/06/10/42/350061042.db2.gz RLSLUFRXIKUFDK-LLVKDONJSA-N 2 2 225.336 0.150 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCOCCO)C[N@@H+]1C1CC1 ZINC000132200060 191027676 /nfs/dbraw/zinc/02/76/76/191027676.db2.gz DZWZHIZCXHNKTC-QWRGUYRKSA-N 2 2 228.336 0.210 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCOCCO)C[N@H+]1C1CC1 ZINC000132200060 191027678 /nfs/dbraw/zinc/02/76/78/191027678.db2.gz DZWZHIZCXHNKTC-QWRGUYRKSA-N 2 2 228.336 0.210 20 0 BCADLP Cn1cncc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334175217 538057571 /nfs/dbraw/zinc/05/75/71/538057571.db2.gz BORTZZVYBBEMRV-ZDUSSCGKSA-N 2 2 234.347 0.996 20 0 BCADLP Cn1cncc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334175217 538057579 /nfs/dbraw/zinc/05/75/79/538057579.db2.gz BORTZZVYBBEMRV-ZDUSSCGKSA-N 2 2 234.347 0.996 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334175217 538057589 /nfs/dbraw/zinc/05/75/89/538057589.db2.gz BORTZZVYBBEMRV-ZDUSSCGKSA-N 2 2 234.347 0.996 20 0 BCADLP CC(C)[NH+]1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000036190096 191052530 /nfs/dbraw/zinc/05/25/30/191052530.db2.gz SOPIBLRGCWRBKX-JTQLQIEISA-N 2 2 243.376 0.202 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000362856252 180119676 /nfs/dbraw/zinc/11/96/76/180119676.db2.gz QOADADJVNLYKCE-PSASIEDQSA-N 2 2 236.319 0.532 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000362856252 180119678 /nfs/dbraw/zinc/11/96/78/180119678.db2.gz QOADADJVNLYKCE-PSASIEDQSA-N 2 2 236.319 0.532 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000334274247 180120794 /nfs/dbraw/zinc/12/07/94/180120794.db2.gz QGRIEJDSNJNYDN-SECBINFHSA-N 2 2 222.292 0.286 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000334274247 180120797 /nfs/dbraw/zinc/12/07/97/180120797.db2.gz QGRIEJDSNJNYDN-SECBINFHSA-N 2 2 222.292 0.286 20 0 BCADLP COC1CCC([N@H+](C)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000130302784 490370672 /nfs/dbraw/zinc/37/06/72/490370672.db2.gz OROGIHPESUNNGT-BPCQOVAHSA-N 2 2 242.363 0.864 20 0 BCADLP COC1CCC([N@@H+](C)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000130302784 490370677 /nfs/dbraw/zinc/37/06/77/490370677.db2.gz OROGIHPESUNNGT-BPCQOVAHSA-N 2 2 242.363 0.864 20 0 BCADLP Cc1[nH+]ccn1CCC[NH+]1CCOCC1 ZINC000175530927 180240065 /nfs/dbraw/zinc/24/00/65/180240065.db2.gz IBOVHEAYBUJLNG-UHFFFAOYSA-N 2 2 209.293 0.914 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nnn(C)n1 ZINC000194441393 180234936 /nfs/dbraw/zinc/23/49/36/180234936.db2.gz WLFKHDBORJILRR-UHFFFAOYSA-N 2 2 249.322 0.237 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nnn(C)n1 ZINC000194441393 180234939 /nfs/dbraw/zinc/23/49/39/180234939.db2.gz WLFKHDBORJILRR-UHFFFAOYSA-N 2 2 249.322 0.237 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1C(N)=O ZINC000270848751 180249239 /nfs/dbraw/zinc/24/92/39/180249239.db2.gz PEXHYSWCPHZALT-NSHDSACASA-N 2 2 236.319 0.531 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1C(N)=O ZINC000270848751 180249242 /nfs/dbraw/zinc/24/92/42/180249242.db2.gz PEXHYSWCPHZALT-NSHDSACASA-N 2 2 236.319 0.531 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1CO ZINC000050116958 180252235 /nfs/dbraw/zinc/25/22/35/180252235.db2.gz VNNWJCSVRLHIFK-NSHDSACASA-N 2 2 209.293 0.648 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1CO ZINC000050116958 180252237 /nfs/dbraw/zinc/25/22/37/180252237.db2.gz VNNWJCSVRLHIFK-NSHDSACASA-N 2 2 209.293 0.648 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338371813 180254277 /nfs/dbraw/zinc/25/42/77/180254277.db2.gz RXWKLDAACFSZDE-TXEJJXNPSA-N 2 2 237.303 0.291 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338371813 180254278 /nfs/dbraw/zinc/25/42/78/180254278.db2.gz RXWKLDAACFSZDE-TXEJJXNPSA-N 2 2 237.303 0.291 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C)[C@H]1CO ZINC000276036594 180255374 /nfs/dbraw/zinc/25/53/74/180255374.db2.gz MUBKAZHWBQKZDY-ZYHUDNBSSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C)[C@H]1CO ZINC000276036594 180255377 /nfs/dbraw/zinc/25/53/77/180255377.db2.gz MUBKAZHWBQKZDY-ZYHUDNBSSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCNC(=O)C1 ZINC000269719353 180240720 /nfs/dbraw/zinc/24/07/20/180240720.db2.gz SYUSLIJTBKBTKC-UHFFFAOYSA-N 2 2 222.292 0.013 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+]1CCNC(=O)C1 ZINC000269719353 180240725 /nfs/dbraw/zinc/24/07/25/180240725.db2.gz SYUSLIJTBKBTKC-UHFFFAOYSA-N 2 2 222.292 0.013 20 0 BCADLP Cc1[nH+]cn(C[C@H](O)C[NH+]2CCOCC2)c1C ZINC000304009235 180287631 /nfs/dbraw/zinc/28/76/31/180287631.db2.gz DYMBEYSWHGYSRL-GFCCVEGCSA-N 2 2 239.319 0.193 20 0 BCADLP CC[NH+]1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000037977226 350297740 /nfs/dbraw/zinc/29/77/40/350297740.db2.gz LRRAGOODMUDMLG-UHFFFAOYSA-N 2 2 222.336 0.994 20 0 BCADLP [NH3+][C@@H]1C[C@@H]1C(=O)NCCCCn1cc[nH+]c1 ZINC000050465512 350343641 /nfs/dbraw/zinc/34/36/41/350343641.db2.gz IYUPJBVMNBXCLA-VHSXEESVSA-N 2 2 222.292 0.127 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+]CC2(O)CCCC2)C1 ZINC000328217947 350393929 /nfs/dbraw/zinc/39/39/29/350393929.db2.gz XLAOQPZWGFGTGK-NSHDSACASA-N 2 2 212.337 0.975 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+]CC2(O)CCCC2)C1 ZINC000328217947 350393930 /nfs/dbraw/zinc/39/39/30/350393930.db2.gz XLAOQPZWGFGTGK-NSHDSACASA-N 2 2 212.337 0.975 20 0 BCADLP Cc1ncsc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336769733 180319437 /nfs/dbraw/zinc/31/94/37/180319437.db2.gz SKBSOQNZPGIAED-NSHDSACASA-N 2 2 241.360 0.608 20 0 BCADLP Cc1ncsc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336769733 180319440 /nfs/dbraw/zinc/31/94/40/180319440.db2.gz SKBSOQNZPGIAED-NSHDSACASA-N 2 2 241.360 0.608 20 0 BCADLP Cc1nn(C)cc1C[N@H+](C)C1CC([NH3+])C1 ZINC000335479207 180372957 /nfs/dbraw/zinc/37/29/57/180372957.db2.gz UBVIPBSFQVLFPU-UHFFFAOYSA-N 2 2 208.309 0.650 20 0 BCADLP Cc1nn(C)cc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000335479207 180372958 /nfs/dbraw/zinc/37/29/58/180372958.db2.gz UBVIPBSFQVLFPU-UHFFFAOYSA-N 2 2 208.309 0.650 20 0 BCADLP CNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177057120 365960285 /nfs/dbraw/zinc/96/02/85/365960285.db2.gz ULKCHYWIWOAADY-UWVGGRQHSA-N 2 2 213.325 0.147 20 0 BCADLP CNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177057120 365960291 /nfs/dbraw/zinc/96/02/91/365960291.db2.gz ULKCHYWIWOAADY-UWVGGRQHSA-N 2 2 213.325 0.147 20 0 BCADLP CNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177057120 365960296 /nfs/dbraw/zinc/96/02/96/365960296.db2.gz ULKCHYWIWOAADY-UWVGGRQHSA-N 2 2 213.325 0.147 20 0 BCADLP CNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177057120 365960301 /nfs/dbraw/zinc/96/03/01/365960301.db2.gz ULKCHYWIWOAADY-UWVGGRQHSA-N 2 2 213.325 0.147 20 0 BCADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000361231221 180379869 /nfs/dbraw/zinc/37/98/69/180379869.db2.gz SIFAQXQPQBOXCZ-KOLCDFICSA-N 2 2 240.351 0.302 20 0 BCADLP CSCC[C@@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000163600360 350553066 /nfs/dbraw/zinc/55/30/66/350553066.db2.gz APUMHWYOYGKSTD-SECBINFHSA-N 2 2 242.348 0.080 20 0 BCADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)NCCF)CC1 ZINC000337420194 350584546 /nfs/dbraw/zinc/58/45/46/350584546.db2.gz FKNFYAPVYJVGRO-JTQLQIEISA-N 2 2 245.342 0.535 20 0 BCADLP C[C@H](O)C[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000563362798 350824765 /nfs/dbraw/zinc/82/47/65/350824765.db2.gz BZHJMQWTRIRZKL-RYUDHWBXSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H](O)C[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000563362798 350824785 /nfs/dbraw/zinc/82/47/85/350824785.db2.gz BZHJMQWTRIRZKL-RYUDHWBXSA-N 2 2 242.363 0.552 20 0 BCADLP Cn1c[nH+]cc1CC[NH2+]Cc1cc2n(n1)CCC2 ZINC000623085909 350843702 /nfs/dbraw/zinc/84/37/02/350843702.db2.gz MVLSORSKASZJAS-UHFFFAOYSA-N 2 2 245.330 0.895 20 0 BCADLP Cc1ncsc1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000250953830 350888126 /nfs/dbraw/zinc/88/81/26/350888126.db2.gz IULGXGPWDJYWGW-SNVBAGLBSA-N 2 2 240.376 0.526 20 0 BCADLP Cc1ncsc1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000250953830 350888128 /nfs/dbraw/zinc/88/81/28/350888128.db2.gz IULGXGPWDJYWGW-SNVBAGLBSA-N 2 2 240.376 0.526 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079512265 351068020 /nfs/dbraw/zinc/06/80/20/351068020.db2.gz WPDVDBUGULFCQJ-PWSUYJOCSA-N 2 2 236.319 0.530 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079512262 351068084 /nfs/dbraw/zinc/06/80/84/351068084.db2.gz WPDVDBUGULFCQJ-JQWIXIFHSA-N 2 2 236.319 0.530 20 0 BCADLP CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC([NH3+])CC1 ZINC000034939787 351355759 /nfs/dbraw/zinc/35/57/59/351355759.db2.gz GSMUECLARWLJRR-ZJUUUORDSA-N 2 2 227.352 0.713 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000637805929 351642305 /nfs/dbraw/zinc/64/23/05/351642305.db2.gz RIMAYDVQINWVDF-SECBINFHSA-N 2 2 222.292 0.129 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000637805929 351642307 /nfs/dbraw/zinc/64/23/07/351642307.db2.gz RIMAYDVQINWVDF-SECBINFHSA-N 2 2 222.292 0.129 20 0 BCADLP C[NH2+]CCCNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000637806446 351642886 /nfs/dbraw/zinc/64/28/86/351642886.db2.gz SKVJRFGFQBILJQ-UHFFFAOYSA-N 2 2 246.314 0.982 20 0 BCADLP CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000637809679 351646154 /nfs/dbraw/zinc/64/61/54/351646154.db2.gz VGHIEDWDKZISNY-NXEZZACHSA-N 2 2 236.319 0.629 20 0 BCADLP CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000637809679 351646156 /nfs/dbraw/zinc/64/61/56/351646156.db2.gz VGHIEDWDKZISNY-NXEZZACHSA-N 2 2 236.319 0.629 20 0 BCADLP COC[C@@H](C[NH2+]Cc1c[nH+]c(C)n1C)OC ZINC000577747035 366052081 /nfs/dbraw/zinc/05/20/81/366052081.db2.gz PBXUMRPVUZPYDX-LLVKDONJSA-N 2 2 227.308 0.480 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000637839179 351689751 /nfs/dbraw/zinc/68/97/51/351689751.db2.gz AMCRAUXMVIOZGQ-QMMMGPOBSA-N 2 2 222.292 0.081 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)C[NH3+] ZINC000637840299 351695661 /nfs/dbraw/zinc/69/56/61/351695661.db2.gz FNPMYAASQPFMHN-SSDOTTSWSA-N 2 2 210.281 0.066 20 0 BCADLP CCc1c[nH]c(CC(=O)N(C)[C@H](C)C[NH3+])[nH+]1 ZINC000637844392 351700054 /nfs/dbraw/zinc/70/00/54/351700054.db2.gz NAWLSWWFFCPAKH-MRVPVSSYSA-N 2 2 224.308 0.320 20 0 BCADLP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000637843997 351703394 /nfs/dbraw/zinc/70/33/94/351703394.db2.gz IGRAXNZAZHGRPE-DJLDLDEBSA-N 2 2 222.292 0.319 20 0 BCADLP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000637843997 351703395 /nfs/dbraw/zinc/70/33/95/351703395.db2.gz IGRAXNZAZHGRPE-DJLDLDEBSA-N 2 2 222.292 0.319 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000637827896 351670600 /nfs/dbraw/zinc/67/06/00/351670600.db2.gz VRXMMCFBCWNLBL-VIFPVBQESA-N 2 2 222.292 0.129 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000637827896 351670602 /nfs/dbraw/zinc/67/06/02/351670602.db2.gz VRXMMCFBCWNLBL-VIFPVBQESA-N 2 2 222.292 0.129 20 0 BCADLP CC[NH+]1CCC([NH2+][C@H](C)c2nncn2C)CC1 ZINC000037016766 358466354 /nfs/dbraw/zinc/46/63/54/358466354.db2.gz JJHCSKSWGNWLBN-SNVBAGLBSA-N 2 2 237.351 0.950 20 0 BCADLP CC[NH2+][C@@H](C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000638051476 351928641 /nfs/dbraw/zinc/92/86/41/351928641.db2.gz IWVCSQOBARKREQ-JTQLQIEISA-N 2 2 246.314 0.949 20 0 BCADLP C[C@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)Cn1cc[nH+]c1 ZINC000638075728 351947954 /nfs/dbraw/zinc/94/79/54/351947954.db2.gz HCXUINIJOKTLJL-ZYHUDNBSSA-N 2 2 248.330 0.683 20 0 BCADLP CC[NH2+][C@H](C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000638072092 351943923 /nfs/dbraw/zinc/94/39/23/351943923.db2.gz CDWDOQHKSMRNFV-VHSXEESVSA-N 2 2 224.308 0.386 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638072363 351944553 /nfs/dbraw/zinc/94/45/53/351944553.db2.gz FNHQRKAOHXLUSW-KOLCDFICSA-N 2 2 234.303 0.435 20 0 BCADLP OCC[N@H+](CCCn1cc[nH+]c1)CC(F)F ZINC000194854485 351903684 /nfs/dbraw/zinc/90/36/84/351903684.db2.gz DZALBKFRIHFVNE-UHFFFAOYSA-N 2 2 233.262 0.833 20 0 BCADLP OCC[N@@H+](CCCn1cc[nH+]c1)CC(F)F ZINC000194854485 351903689 /nfs/dbraw/zinc/90/36/89/351903689.db2.gz DZALBKFRIHFVNE-UHFFFAOYSA-N 2 2 233.262 0.833 20 0 BCADLP Cc1cn2ccc(C(=O)NC[C@H](C)C[NH3+])cc2[nH+]1 ZINC000638144816 352007591 /nfs/dbraw/zinc/00/75/91/352007591.db2.gz OKJBLCPVOPRERS-SECBINFHSA-N 2 2 246.314 0.967 20 0 BCADLP CCC[NH2+]CCNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000638146364 352010730 /nfs/dbraw/zinc/01/07/30/352010730.db2.gz OCMPETPSXJLZLD-UHFFFAOYSA-N 2 2 238.335 0.630 20 0 BCADLP CC[NH2+][C@@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000638097851 351978691 /nfs/dbraw/zinc/97/86/91/351978691.db2.gz HUBFLXGXWMOBLO-VIFPVBQESA-N 2 2 207.277 0.748 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000638199592 352063332 /nfs/dbraw/zinc/06/33/32/352063332.db2.gz DJSBIPXTSBZHMI-CMPLNLGQSA-N 2 2 248.330 0.471 20 0 BCADLP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638213793 352075957 /nfs/dbraw/zinc/07/59/57/352075957.db2.gz PJMNRHUKGRFNST-OPRDCNLKSA-N 2 2 236.319 0.627 20 0 BCADLP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638213793 352075958 /nfs/dbraw/zinc/07/59/58/352075958.db2.gz PJMNRHUKGRFNST-OPRDCNLKSA-N 2 2 236.319 0.627 20 0 BCADLP [NH3+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000638154672 352015184 /nfs/dbraw/zinc/01/51/84/352015184.db2.gz PTQGWFGGMQBNBM-BBBLOLIVSA-N 2 2 234.303 0.367 20 0 BCADLP [NH3+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000638154672 352015185 /nfs/dbraw/zinc/01/51/85/352015185.db2.gz PTQGWFGGMQBNBM-BBBLOLIVSA-N 2 2 234.303 0.367 20 0 BCADLP CC(C)C[C@H](C(=O)NC[C@H](C)[NH3+])n1cc[nH+]c1 ZINC000638211913 352074118 /nfs/dbraw/zinc/07/41/18/352074118.db2.gz VCPRBNDQZTUGOT-WDEREUQCSA-N 2 2 238.335 0.934 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000638257752 352101157 /nfs/dbraw/zinc/10/11/57/352101157.db2.gz WHYOJIFZPZKPAP-NKWVEPMBSA-N 2 2 210.281 0.113 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000638257752 352101160 /nfs/dbraw/zinc/10/11/60/352101160.db2.gz WHYOJIFZPZKPAP-NKWVEPMBSA-N 2 2 210.281 0.113 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000638257751 352101563 /nfs/dbraw/zinc/10/15/63/352101563.db2.gz WHYOJIFZPZKPAP-BQBZGAKWSA-N 2 2 210.281 0.113 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000638257751 352101566 /nfs/dbraw/zinc/10/15/66/352101566.db2.gz WHYOJIFZPZKPAP-BQBZGAKWSA-N 2 2 210.281 0.113 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000638265177 352105036 /nfs/dbraw/zinc/10/50/36/352105036.db2.gz CIYUZMSUHBDREK-CMPLNLGQSA-N 2 2 248.330 0.471 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000638270684 352107352 /nfs/dbraw/zinc/10/73/52/352107352.db2.gz LETCSQYXGDQASL-SNVBAGLBSA-N 2 2 236.319 0.517 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000638270684 352107355 /nfs/dbraw/zinc/10/73/55/352107355.db2.gz LETCSQYXGDQASL-SNVBAGLBSA-N 2 2 236.319 0.517 20 0 BCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638369819 352180358 /nfs/dbraw/zinc/18/03/58/352180358.db2.gz VAQJDOXBABEKEA-SGIHWFKDSA-N 2 2 236.319 0.755 20 0 BCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638369819 352180361 /nfs/dbraw/zinc/18/03/61/352180361.db2.gz VAQJDOXBABEKEA-SGIHWFKDSA-N 2 2 236.319 0.755 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000638368970 352181062 /nfs/dbraw/zinc/18/10/62/352181062.db2.gz CPBBZMMBACLOMR-JGVFFNPUSA-N 2 2 224.308 0.503 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000638368970 352181063 /nfs/dbraw/zinc/18/10/63/352181063.db2.gz CPBBZMMBACLOMR-JGVFFNPUSA-N 2 2 224.308 0.503 20 0 BCADLP C[NH2+]C[C@H](C)NC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000638431525 352239352 /nfs/dbraw/zinc/23/93/52/352239352.db2.gz FTKBUGGHTSTHEW-VIFPVBQESA-N 2 2 246.314 0.980 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)CS1 ZINC000252117990 363124581 /nfs/dbraw/zinc/12/45/81/363124581.db2.gz KLESITKRKPYQMH-WOPDTQHZSA-N 2 2 243.420 0.716 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)CS1 ZINC000252117990 363124587 /nfs/dbraw/zinc/12/45/87/363124587.db2.gz KLESITKRKPYQMH-WOPDTQHZSA-N 2 2 243.420 0.716 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC2CC1(C[NH3+])C2 ZINC000638417454 352226728 /nfs/dbraw/zinc/22/67/28/352226728.db2.gz HHEIIMXHCZWQIW-UHFFFAOYSA-N 2 2 234.303 0.210 20 0 BCADLP C[C@H]1C[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)c2[nH+]ccn21 ZINC000627053105 363171764 /nfs/dbraw/zinc/17/17/64/363171764.db2.gz XOFFKFCZSAMEGB-AEJSXWLSSA-N 2 2 249.318 0.550 20 0 BCADLP CO[C@H](C[NH2+]C[C@H]1CCC[N@@H+]1C)[C@H]1CCOC1 ZINC000638442707 352252129 /nfs/dbraw/zinc/25/21/29/352252129.db2.gz BFQFNEFJECLFNT-YNEHKIRRSA-N 2 2 242.363 0.722 20 0 BCADLP CO[C@H](C[NH2+]C[C@H]1CCC[N@H+]1C)[C@H]1CCOC1 ZINC000638442707 352252132 /nfs/dbraw/zinc/25/21/32/352252132.db2.gz BFQFNEFJECLFNT-YNEHKIRRSA-N 2 2 242.363 0.722 20 0 BCADLP CCc1c[nH]c(CC(=O)N(CC)CC[NH3+])[nH+]1 ZINC000638516156 352343701 /nfs/dbraw/zinc/34/37/01/352343701.db2.gz KHHWLCRZCDXIGC-UHFFFAOYSA-N 2 2 224.308 0.322 20 0 BCADLP CCN(CC[NH3+])C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000638516562 352344816 /nfs/dbraw/zinc/34/48/16/352344816.db2.gz URYHEPAYGBVASC-JTQLQIEISA-N 2 2 236.319 0.253 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000638572173 352400447 /nfs/dbraw/zinc/40/04/47/352400447.db2.gz WKYYOHWMBBFTIZ-WDEREUQCSA-N 2 2 236.319 0.530 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCC[C@H]2CCO2)C1 ZINC000638636662 352478808 /nfs/dbraw/zinc/47/88/08/352478808.db2.gz GIGQNOGCLXHHLH-STQMWFEESA-N 2 2 242.363 0.866 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+]CCC[C@H]2CCO2)C1 ZINC000638636662 352478809 /nfs/dbraw/zinc/47/88/09/352478809.db2.gz GIGQNOGCLXHHLH-STQMWFEESA-N 2 2 242.363 0.866 20 0 BCADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000041051032 352601218 /nfs/dbraw/zinc/60/12/18/352601218.db2.gz GSJVCWRYWKUQSV-NXEZZACHSA-N 2 2 224.308 0.373 20 0 BCADLP C[C@@H](CC(=O)N[C@@H]1CC[NH2+][C@H]1C)n1cc[nH+]c1 ZINC000638764780 352704092 /nfs/dbraw/zinc/70/40/92/352704092.db2.gz HSUCUMYRXUAQOJ-GARJFASQSA-N 2 2 236.319 0.701 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000334251478 352887904 /nfs/dbraw/zinc/88/79/04/352887904.db2.gz IKRCRCUWHICFQA-RYUDHWBXSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000334251478 352887905 /nfs/dbraw/zinc/88/79/05/352887905.db2.gz IKRCRCUWHICFQA-RYUDHWBXSA-N 2 2 234.347 0.946 20 0 BCADLP CC[C@@](C)(NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000638858410 353035173 /nfs/dbraw/zinc/03/51/73/353035173.db2.gz PBKOMABUHAZEKW-DGCLKSJQSA-N 2 2 241.379 0.960 20 0 BCADLP CC(C)(C)NC(=[NH2+])NCCn1cc[nH+]c1 ZINC000052043393 187986746 /nfs/dbraw/zinc/98/67/46/187986746.db2.gz IQDTWGHMHRUGLU-UHFFFAOYSA-N 2 2 209.297 0.796 20 0 BCADLP C[C@H](CC(=O)N1C[C@@H]([NH3+])C[C@H]1C)n1cc[nH+]c1 ZINC000638928277 353088607 /nfs/dbraw/zinc/08/86/07/353088607.db2.gz HCXQJIMBWIPLFJ-MXWKQRLJSA-N 2 2 236.319 0.782 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000638930147 353090973 /nfs/dbraw/zinc/09/09/73/353090973.db2.gz IULCNQIXSXMDSQ-VWYCJHECSA-N 2 2 248.330 0.394 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638928540 353098088 /nfs/dbraw/zinc/09/80/88/353098088.db2.gz AUEXPQCVRNRQSN-APPZFPTMSA-N 2 2 222.292 0.209 20 0 BCADLP C(C[NH+]1CCOCC1)N1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000062619359 188013320 /nfs/dbraw/zinc/01/33/20/188013320.db2.gz AXOUMJNMEGCTGC-OLZOCXBDSA-N 2 2 239.363 0.145 20 0 BCADLP CC(C)[N@H+](CCO)CCc1c[nH+]cn1C ZINC000290118243 188035505 /nfs/dbraw/zinc/03/55/05/188035505.db2.gz TZVGUMAVCTXEJX-UHFFFAOYSA-N 2 2 211.309 0.665 20 0 BCADLP CC(C)[N@@H+](CCO)CCc1c[nH+]cn1C ZINC000290118243 188035507 /nfs/dbraw/zinc/03/55/07/188035507.db2.gz TZVGUMAVCTXEJX-UHFFFAOYSA-N 2 2 211.309 0.665 20 0 BCADLP CC(C)[N@H+](C)CC(=O)N(C)Cc1[nH+]ccn1C ZINC000299541732 188041699 /nfs/dbraw/zinc/04/16/99/188041699.db2.gz UMGUBPSJPWLTQX-UHFFFAOYSA-N 2 2 238.335 0.719 20 0 BCADLP C[C@@H](CC1CCC1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000638996290 353232265 /nfs/dbraw/zinc/23/22/65/353232265.db2.gz KTLRXVMIYIGZPA-JQWIXIFHSA-N 2 2 241.379 0.960 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000639016327 353271523 /nfs/dbraw/zinc/27/15/23/353271523.db2.gz GDYHHSSJTWUMBZ-JTQLQIEISA-N 2 2 236.319 0.756 20 0 BCADLP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000134559986 538113512 /nfs/dbraw/zinc/11/35/12/538113512.db2.gz RKFZLSWRRGRAPW-WPRPVWTQSA-N 2 2 226.324 0.291 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000639016636 353273879 /nfs/dbraw/zinc/27/38/79/353273879.db2.gz MCRXFSFUWBQRLW-OCAPTIKFSA-N 2 2 208.265 0.105 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000639012744 353266781 /nfs/dbraw/zinc/26/67/81/353266781.db2.gz CLFDSSMPJWAEIE-VIFPVBQESA-N 2 2 222.292 0.366 20 0 BCADLP C[C@H]1C[N@H+](C)CCN1Cc1[nH+]ccn1C ZINC000071863858 188258597 /nfs/dbraw/zinc/25/85/97/188258597.db2.gz JVPYCVNCAYVOTN-JTQLQIEISA-N 2 2 208.309 0.556 20 0 BCADLP C[C@H]1C[N@@H+](C)CCN1Cc1[nH+]ccn1C ZINC000071863858 188258599 /nfs/dbraw/zinc/25/85/99/188258599.db2.gz JVPYCVNCAYVOTN-JTQLQIEISA-N 2 2 208.309 0.556 20 0 BCADLP C[C@H]1C[N@H+](CC(=O)NC(C)(C)C)CC[C@H]1[NH3+] ZINC000251771768 353288296 /nfs/dbraw/zinc/28/82/96/353288296.db2.gz MLJKJGFCCZGGRS-VHSXEESVSA-N 2 2 227.352 0.570 20 0 BCADLP C[C@H]1C[N@@H+](CC(=O)NC(C)(C)C)CC[C@H]1[NH3+] ZINC000251771768 353288299 /nfs/dbraw/zinc/28/82/99/353288299.db2.gz MLJKJGFCCZGGRS-VHSXEESVSA-N 2 2 227.352 0.570 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000360623282 188242423 /nfs/dbraw/zinc/24/24/23/188242423.db2.gz WQXBCWZVZNEUSS-NSHDSACASA-N 2 2 238.335 0.728 20 0 BCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC000360623282 188242426 /nfs/dbraw/zinc/24/24/26/188242426.db2.gz WQXBCWZVZNEUSS-NSHDSACASA-N 2 2 238.335 0.728 20 0 BCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC1=[NH+]CCS1 ZINC000368104304 188246396 /nfs/dbraw/zinc/24/63/96/188246396.db2.gz DROBGEQQQSUXKM-BDAKNGLRSA-N 2 2 241.360 0.840 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C2(C(N)=O)CC2)CC[N@@H+]1C ZINC000639043111 353326513 /nfs/dbraw/zinc/32/65/13/353326513.db2.gz PGVCBVYLMLCDBS-RKDXNWHRSA-N 2 2 211.309 0.077 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C2(C(N)=O)CC2)CC[N@H+]1C ZINC000639043111 353326518 /nfs/dbraw/zinc/32/65/18/353326518.db2.gz PGVCBVYLMLCDBS-RKDXNWHRSA-N 2 2 211.309 0.077 20 0 BCADLP Cc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)sn1 ZINC000639049418 353344520 /nfs/dbraw/zinc/34/45/20/353344520.db2.gz QUNDFPQWRCXLBZ-LLVKDONJSA-N 2 2 241.360 0.608 20 0 BCADLP Cc1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)sn1 ZINC000639049418 353344521 /nfs/dbraw/zinc/34/45/21/353344521.db2.gz QUNDFPQWRCXLBZ-LLVKDONJSA-N 2 2 241.360 0.608 20 0 BCADLP c1cn(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c[nH+]1 ZINC000085283196 538116137 /nfs/dbraw/zinc/11/61/37/538116137.db2.gz PHXKUNMSBKKKAA-GHMZBOCLSA-N 3 2 206.293 0.034 20 0 BCADLP O=C1C[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)CCCN1 ZINC000639071198 353386862 /nfs/dbraw/zinc/38/68/62/353386862.db2.gz HRUBKXUSQHTXOV-QWRGUYRKSA-N 2 2 248.330 0.456 20 0 BCADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)NC ZINC000336775310 353441081 /nfs/dbraw/zinc/44/10/81/353441081.db2.gz YRHWOVKDGMBMEW-MNOVXSKESA-N 2 2 227.352 0.585 20 0 BCADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)NC ZINC000336775310 353441083 /nfs/dbraw/zinc/44/10/83/353441083.db2.gz YRHWOVKDGMBMEW-MNOVXSKESA-N 2 2 227.352 0.585 20 0 BCADLP CCCC[C@@H]([NH3+])C(=O)N(C)Cc1[nH+]ccn1C ZINC000037823029 358478834 /nfs/dbraw/zinc/47/88/34/358478834.db2.gz NRWWDEZTISIDOZ-SNVBAGLBSA-N 2 2 238.335 0.896 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000136192102 353612966 /nfs/dbraw/zinc/61/29/66/353612966.db2.gz CLAFBUDWMTZPFI-ZDUSSCGKSA-N 2 2 239.363 0.683 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H](C)OC ZINC000308980298 353774161 /nfs/dbraw/zinc/77/41/61/353774161.db2.gz DQACBLXUKGZRRT-WDEREUQCSA-N 2 2 218.341 0.266 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H](C)OC ZINC000308980298 353774163 /nfs/dbraw/zinc/77/41/63/353774163.db2.gz DQACBLXUKGZRRT-WDEREUQCSA-N 2 2 218.341 0.266 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H](C)OC ZINC000308980298 353774167 /nfs/dbraw/zinc/77/41/67/353774167.db2.gz DQACBLXUKGZRRT-WDEREUQCSA-N 2 2 218.341 0.266 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H](C)OC ZINC000308980298 353774171 /nfs/dbraw/zinc/77/41/71/353774171.db2.gz DQACBLXUKGZRRT-WDEREUQCSA-N 2 2 218.341 0.266 20 0 BCADLP Cn1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)nn1 ZINC000343735156 353990111 /nfs/dbraw/zinc/99/01/11/353990111.db2.gz FTRRWTOZRXMPKD-UHFFFAOYSA-N 2 2 249.362 0.922 20 0 BCADLP C[C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC[NH2+]1 ZINC000623176084 354003617 /nfs/dbraw/zinc/00/36/17/354003617.db2.gz DNQITJLGOZKPAB-QWRGUYRKSA-N 2 2 248.330 0.266 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCc1cnn(C)c1 ZINC000343951754 354070450 /nfs/dbraw/zinc/07/04/50/354070450.db2.gz NTTDMQLPBXFXHI-AAEUAGOBSA-N 2 2 236.363 0.892 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCc1cnn(C)c1 ZINC000343951754 354070454 /nfs/dbraw/zinc/07/04/54/354070454.db2.gz NTTDMQLPBXFXHI-AAEUAGOBSA-N 2 2 236.363 0.892 20 0 BCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H](C)C[NH+](C)C ZINC000639168513 354075397 /nfs/dbraw/zinc/07/53/97/354075397.db2.gz SGZVTXJEHFRLSR-WOPDTQHZSA-N 2 2 241.379 0.973 20 0 BCADLP Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC000344052976 354124245 /nfs/dbraw/zinc/12/42/45/354124245.db2.gz DUNOHPVDPSJLHF-MVWJERBFSA-N 2 2 249.362 0.441 20 0 BCADLP Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC000344052976 354124248 /nfs/dbraw/zinc/12/42/48/354124248.db2.gz DUNOHPVDPSJLHF-MVWJERBFSA-N 2 2 249.362 0.441 20 0 BCADLP CC[C@@H]([NH3+])CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623179090 354147568 /nfs/dbraw/zinc/14/75/68/354147568.db2.gz WEDXNILOXMAYMK-VHSXEESVSA-N 2 2 236.319 0.299 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000449734762 202011754 /nfs/dbraw/zinc/01/17/54/202011754.db2.gz DINCOKQZWUPHLK-FIQHERPVSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000449734762 202011758 /nfs/dbraw/zinc/01/17/58/202011758.db2.gz DINCOKQZWUPHLK-FIQHERPVSA-N 2 2 212.337 0.687 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]C[C@@](C)(O)CCOC)[C@@H](C)C1 ZINC000344316346 354221954 /nfs/dbraw/zinc/22/19/54/354221954.db2.gz JWECGUVMQHPMQX-AVGNSLFASA-N 2 2 244.379 0.704 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@](C)(O)CCOC)[C@@H](C)C1 ZINC000344316346 354221955 /nfs/dbraw/zinc/22/19/55/354221955.db2.gz JWECGUVMQHPMQX-AVGNSLFASA-N 2 2 244.379 0.704 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000344668294 354341615 /nfs/dbraw/zinc/34/16/15/354341615.db2.gz JRXFDRNXPWPFEY-IRUJWGPZSA-N 2 2 234.347 0.807 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000344668294 354341617 /nfs/dbraw/zinc/34/16/17/354341617.db2.gz JRXFDRNXPWPFEY-IRUJWGPZSA-N 2 2 234.347 0.807 20 0 BCADLP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC[NH3+])C1 ZINC000345550272 354710775 /nfs/dbraw/zinc/71/07/75/354710775.db2.gz GWXVFSNBAFPMIV-NWDGAFQWSA-N 2 2 241.379 0.962 20 0 BCADLP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC[NH3+])C1 ZINC000345550272 354710778 /nfs/dbraw/zinc/71/07/78/354710778.db2.gz GWXVFSNBAFPMIV-NWDGAFQWSA-N 2 2 241.379 0.962 20 0 BCADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000346671836 355008105 /nfs/dbraw/zinc/00/81/05/355008105.db2.gz VWWABARGYJNPFI-LBPRGKRZSA-N 2 2 243.314 0.800 20 0 BCADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000346671836 355008108 /nfs/dbraw/zinc/00/81/08/355008108.db2.gz VWWABARGYJNPFI-LBPRGKRZSA-N 2 2 243.314 0.800 20 0 BCADLP [NH3+][C@@H]1CCN(Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000346688436 355013547 /nfs/dbraw/zinc/01/35/47/355013547.db2.gz ODTKCFSTXZWTAW-MRVPVSSYSA-N 2 2 248.252 0.978 20 0 BCADLP Cn1nnc2cc(C[N@@H+]3CC[C@@H]([NH3+])C3)ccc21 ZINC000346634589 355014779 /nfs/dbraw/zinc/01/47/79/355014779.db2.gz GMLPFPYUKQMSBC-SNVBAGLBSA-N 2 2 231.303 0.501 20 0 BCADLP Cn1nnc2cc(C[N@H+]3CC[C@@H]([NH3+])C3)ccc21 ZINC000346634589 355014782 /nfs/dbraw/zinc/01/47/82/355014782.db2.gz GMLPFPYUKQMSBC-SNVBAGLBSA-N 2 2 231.303 0.501 20 0 BCADLP CC1(C(=O)NCc2cn3ccccc3[nH+]2)C[NH2+]C1 ZINC000335196276 355028844 /nfs/dbraw/zinc/02/88/44/355028844.db2.gz NXWUPVJSJDTHDM-UHFFFAOYSA-N 2 2 244.298 0.560 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@H]2CCC[NH2+]2)c[nH+]1 ZINC000335213459 355050895 /nfs/dbraw/zinc/05/08/95/355050895.db2.gz BBTPHMXCFXIMSI-MRVPVSSYSA-N 2 2 208.265 0.200 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000449756866 202023996 /nfs/dbraw/zinc/02/39/96/202023996.db2.gz XDVJXUTVDMAVOE-XPXLGCRWSA-N 2 2 210.321 0.582 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000449756866 202023997 /nfs/dbraw/zinc/02/39/97/202023997.db2.gz XDVJXUTVDMAVOE-XPXLGCRWSA-N 2 2 210.321 0.582 20 0 BCADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(=O)NC ZINC000639241700 355228262 /nfs/dbraw/zinc/22/82/62/355228262.db2.gz LMVFWIQIGKWRHI-VWYCJHECSA-N 2 2 227.352 0.583 20 0 BCADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)NC ZINC000639241700 355228265 /nfs/dbraw/zinc/22/82/65/355228265.db2.gz LMVFWIQIGKWRHI-VWYCJHECSA-N 2 2 227.352 0.583 20 0 BCADLP CN(C(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1)C1CC1 ZINC000113515201 355251872 /nfs/dbraw/zinc/25/18/72/355251872.db2.gz JBRWVRXUANJILS-LLVKDONJSA-N 2 2 239.363 0.491 20 0 BCADLP CN(C(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1)C1CC1 ZINC000113515201 355251873 /nfs/dbraw/zinc/25/18/73/355251873.db2.gz JBRWVRXUANJILS-LLVKDONJSA-N 2 2 239.363 0.491 20 0 BCADLP CSC[C@H](O)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000584346216 355367704 /nfs/dbraw/zinc/36/77/04/355367704.db2.gz XCQHUOMGXOUQLM-NXEZZACHSA-N 2 2 229.349 0.585 20 0 BCADLP C[NH+]1CCC([N@@H+]2CCc3n[nH]cc3C2)CC1 ZINC000623238627 355383352 /nfs/dbraw/zinc/38/33/52/355383352.db2.gz NXADVBIPDBWECN-UHFFFAOYSA-N 2 2 220.320 0.862 20 0 BCADLP CC[C@H]([NH3+])C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000335818813 355510462 /nfs/dbraw/zinc/51/04/62/355510462.db2.gz OQWARNIDVGVDTL-JTQLQIEISA-N 2 2 236.319 0.853 20 0 BCADLP CC[C@H]([NH3+])C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335818813 355510465 /nfs/dbraw/zinc/51/04/65/355510465.db2.gz OQWARNIDVGVDTL-JTQLQIEISA-N 2 2 236.319 0.853 20 0 BCADLP C[C@H](CC(=O)N1CC([NH+](C)C)C1)n1cc[nH+]c1 ZINC000583569025 355632854 /nfs/dbraw/zinc/63/28/54/355632854.db2.gz HURKUUTVLDYRIQ-SNVBAGLBSA-N 2 2 236.319 0.607 20 0 BCADLP C[C@H](O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335886880 355678137 /nfs/dbraw/zinc/67/81/37/355678137.db2.gz RFXZTXZANFBKMW-VIFPVBQESA-N 2 2 209.293 0.970 20 0 BCADLP Cc1[nH]c(CN2CC[N@@H+](C)C[C@@H]2CO)[nH+]c1C ZINC000639334694 355765054 /nfs/dbraw/zinc/76/50/54/355765054.db2.gz URRDOZPQMMIECE-LLVKDONJSA-N 2 2 238.335 0.135 20 0 BCADLP Cc1[nH]c(CN2CC[N@H+](C)C[C@@H]2CO)[nH+]c1C ZINC000639334694 355765057 /nfs/dbraw/zinc/76/50/57/355765057.db2.gz URRDOZPQMMIECE-LLVKDONJSA-N 2 2 238.335 0.135 20 0 BCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623254341 355853054 /nfs/dbraw/zinc/85/30/54/355853054.db2.gz ZDEKOTKMMRMYSB-JTQLQIEISA-N 2 2 245.286 0.129 20 0 BCADLP [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000336031451 134058169 /nfs/dbraw/zinc/05/81/69/134058169.db2.gz JCALNLZFCOZWPC-DTWKUNHWSA-N 2 2 247.289 0.181 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@H]1C ZINC000583638621 355940460 /nfs/dbraw/zinc/94/04/60/355940460.db2.gz CUKGADQBTGTACD-MXWKQRLJSA-N 2 2 200.326 0.782 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@H]1C ZINC000583638621 355940464 /nfs/dbraw/zinc/94/04/64/355940464.db2.gz CUKGADQBTGTACD-MXWKQRLJSA-N 2 2 200.326 0.782 20 0 BCADLP CCC1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653075244 491085684 /nfs/dbraw/zinc/08/56/84/491085684.db2.gz KUNFSFVAYVCMBD-GFCCVEGCSA-N 2 2 241.379 0.914 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)COC(C)C)C1 ZINC000389307156 355961010 /nfs/dbraw/zinc/96/10/10/355961010.db2.gz FNHPGQPCDPZZLN-NEPJUHHUSA-N 2 2 230.352 0.456 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)COC(C)C)C1 ZINC000389307156 355961011 /nfs/dbraw/zinc/96/10/11/355961011.db2.gz FNHPGQPCDPZZLN-NEPJUHHUSA-N 2 2 230.352 0.456 20 0 BCADLP NC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000372588928 181230954 /nfs/dbraw/zinc/23/09/54/181230954.db2.gz YINGZQBHOOXVHC-LBPRGKRZSA-N 2 2 239.363 0.670 20 0 BCADLP NC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000372588928 181230956 /nfs/dbraw/zinc/23/09/56/181230956.db2.gz YINGZQBHOOXVHC-LBPRGKRZSA-N 2 2 239.363 0.670 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2nnc(C3CC3)n2C)C1 ZINC000351863554 356099942 /nfs/dbraw/zinc/09/99/42/356099942.db2.gz UKAGEOUGFCLPLJ-KOLCDFICSA-N 2 2 249.362 0.862 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2nnc(C3CC3)n2C)C1 ZINC000351863554 356099949 /nfs/dbraw/zinc/09/99/49/356099949.db2.gz UKAGEOUGFCLPLJ-KOLCDFICSA-N 2 2 249.362 0.862 20 0 BCADLP CN(c1cc(N2CCCCC2)[nH+]cn1)C1C[NH2+]C1 ZINC000420267029 192193241 /nfs/dbraw/zinc/19/32/41/192193241.db2.gz WQENMMYSTDQQQZ-UHFFFAOYSA-N 2 2 247.346 0.875 20 0 BCADLP Nc1[nH+]cnc(N2CCC[C@@H]([NH3+])C2)c1Cl ZINC000420251993 192188006 /nfs/dbraw/zinc/18/80/06/192188006.db2.gz YPLOPHNYNDWZGS-ZCFIWIBFSA-N 2 2 227.699 0.640 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000639457224 356242214 /nfs/dbraw/zinc/24/22/14/356242214.db2.gz QSEGXHYFPOAKBG-PHIMTYICSA-N 3 2 220.320 0.114 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000639457224 356242215 /nfs/dbraw/zinc/24/22/15/356242215.db2.gz QSEGXHYFPOAKBG-PHIMTYICSA-N 3 2 220.320 0.114 20 0 BCADLP Cc1nc(N2CC[NH2+]C[C@](C)(F)C2)cc[nH+]1 ZINC000420262647 192191074 /nfs/dbraw/zinc/19/10/74/192191074.db2.gz MWCWKUBDMNHRIE-NSHDSACASA-N 2 2 224.283 0.923 20 0 BCADLP C[C@H]1C[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765261 356329331 /nfs/dbraw/zinc/32/93/31/356329331.db2.gz YSFIXPLIXQOLTM-RYUDHWBXSA-N 2 2 241.379 0.642 20 0 BCADLP C[C@H]1C[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765261 356329335 /nfs/dbraw/zinc/32/93/35/356329335.db2.gz YSFIXPLIXQOLTM-RYUDHWBXSA-N 2 2 241.379 0.642 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000639498052 356326427 /nfs/dbraw/zinc/32/64/27/356326427.db2.gz WIQJRJDLKJPBAG-NSHDSACASA-N 2 2 236.319 0.125 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)[C@H]1CCN(C)C1=O ZINC000639498052 356326429 /nfs/dbraw/zinc/32/64/29/356326429.db2.gz WIQJRJDLKJPBAG-NSHDSACASA-N 2 2 236.319 0.125 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623265817 356299308 /nfs/dbraw/zinc/29/93/08/356299308.db2.gz LLHKYCPIAZCMPC-MWLCHTKSSA-N 2 2 234.303 0.018 20 0 BCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623265817 356299312 /nfs/dbraw/zinc/29/93/12/356299312.db2.gz LLHKYCPIAZCMPC-MWLCHTKSSA-N 2 2 234.303 0.018 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)CCn1cccn1 ZINC000639487263 356303051 /nfs/dbraw/zinc/30/30/51/356303051.db2.gz YNPVSNADKFAKQB-UHFFFAOYSA-N 2 2 233.319 0.791 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)CCn1cccn1 ZINC000639487263 356303054 /nfs/dbraw/zinc/30/30/54/356303054.db2.gz YNPVSNADKFAKQB-UHFFFAOYSA-N 2 2 233.319 0.791 20 0 BCADLP CC(C)c1nc(N(C)CC[NH3+])nc(N(C)C)[nH+]1 ZINC000420283884 192199191 /nfs/dbraw/zinc/19/91/91/192199191.db2.gz OCYQRISPUOXNRG-UHFFFAOYSA-N 2 2 238.339 0.456 20 0 BCADLP CCCCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000420281642 192200487 /nfs/dbraw/zinc/20/04/87/192200487.db2.gz ACSAGEJBGWTUBO-NWDGAFQWSA-N 2 2 241.379 0.962 20 0 BCADLP CCCCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000420281642 192200490 /nfs/dbraw/zinc/20/04/90/192200490.db2.gz ACSAGEJBGWTUBO-NWDGAFQWSA-N 2 2 241.379 0.962 20 0 BCADLP CO[C@@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767301 356328606 /nfs/dbraw/zinc/32/86/06/356328606.db2.gz OAXZQORLJMRAJX-NSHDSACASA-N 2 2 245.367 0.021 20 0 BCADLP CO[C@@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767301 356328608 /nfs/dbraw/zinc/32/86/08/356328608.db2.gz OAXZQORLJMRAJX-NSHDSACASA-N 2 2 245.367 0.021 20 0 BCADLP C[C@@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH+](C)C ZINC000617758732 356314757 /nfs/dbraw/zinc/31/47/57/356314757.db2.gz VMRGBLKDSHSGGJ-JTQLQIEISA-N 2 2 238.335 0.799 20 0 BCADLP C[C@@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH+](C)C ZINC000617758732 356314759 /nfs/dbraw/zinc/31/47/59/356314759.db2.gz VMRGBLKDSHSGGJ-JTQLQIEISA-N 2 2 238.335 0.799 20 0 BCADLP C[C@H]1C[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768910 356330996 /nfs/dbraw/zinc/33/09/96/356330996.db2.gz YSFIXPLIXQOLTM-NWDGAFQWSA-N 2 2 241.379 0.642 20 0 BCADLP C[C@H]1C[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768910 356330999 /nfs/dbraw/zinc/33/09/99/356330999.db2.gz YSFIXPLIXQOLTM-NWDGAFQWSA-N 2 2 241.379 0.642 20 0 BCADLP C[C@@H]1CC[N@H+](CCOCC[NH3+])[C@H](C[NH3+])C1 ZINC000420344721 192215352 /nfs/dbraw/zinc/21/53/52/192215352.db2.gz UJMONSZXPOQMNJ-MNOVXSKESA-N 3 2 215.341 0.021 20 0 BCADLP C[C@@H]1CC[N@@H+](CCOCC[NH3+])[C@H](C[NH3+])C1 ZINC000420344721 192215354 /nfs/dbraw/zinc/21/53/54/192215354.db2.gz UJMONSZXPOQMNJ-MNOVXSKESA-N 3 2 215.341 0.021 20 0 BCADLP C[C@@H]1CC[N@H+](CCOCC[NH3+])[C@@H](C[NH3+])C1 ZINC000420344720 192215422 /nfs/dbraw/zinc/21/54/22/192215422.db2.gz UJMONSZXPOQMNJ-GHMZBOCLSA-N 3 2 215.341 0.021 20 0 BCADLP C[C@@H]1CC[N@@H+](CCOCC[NH3+])[C@@H](C[NH3+])C1 ZINC000420344720 192215424 /nfs/dbraw/zinc/21/54/24/192215424.db2.gz UJMONSZXPOQMNJ-GHMZBOCLSA-N 3 2 215.341 0.021 20 0 BCADLP COCCC[N@@H+]1CC[NH2+]C[C@](C)(F)C1 ZINC000420345461 192216371 /nfs/dbraw/zinc/21/63/71/192216371.db2.gz ZMVMJDXSQKBNJM-JTQLQIEISA-N 2 2 204.289 0.656 20 0 BCADLP COCCC[N@H+]1CC[NH2+]C[C@](C)(F)C1 ZINC000420345461 192216374 /nfs/dbraw/zinc/21/63/74/192216374.db2.gz ZMVMJDXSQKBNJM-JTQLQIEISA-N 2 2 204.289 0.656 20 0 BCADLP CCCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768389 356330092 /nfs/dbraw/zinc/33/00/92/356330092.db2.gz AEBLBXDALRCVAA-UHFFFAOYSA-N 2 2 229.368 0.786 20 0 BCADLP CCCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768389 356330094 /nfs/dbraw/zinc/33/00/94/356330094.db2.gz AEBLBXDALRCVAA-UHFFFAOYSA-N 2 2 229.368 0.786 20 0 BCADLP CC[C@@H](C)NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420370456 192226718 /nfs/dbraw/zinc/22/67/18/192226718.db2.gz VTVRHRQONSIUGT-ZJUUUORDSA-N 2 2 229.368 0.864 20 0 BCADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)N1CCCCC1 ZINC000420370489 192227085 /nfs/dbraw/zinc/22/70/85/192227085.db2.gz VZUYOYKDWRONLR-NSHDSACASA-N 2 2 241.379 0.962 20 0 BCADLP C[C@@H]1C[N@H+](CCN(C)[C@@H](C[NH3+])C2CC2)CCO1 ZINC000420323020 192227782 /nfs/dbraw/zinc/22/77/82/192227782.db2.gz XNNDPLUCLDFREE-YPMHNXCESA-N 2 2 241.379 0.376 20 0 BCADLP C[C@@H]1C[N@@H+](CCN(C)[C@@H](C[NH3+])C2CC2)CCO1 ZINC000420323020 192227785 /nfs/dbraw/zinc/22/77/85/192227785.db2.gz XNNDPLUCLDFREE-YPMHNXCESA-N 2 2 241.379 0.376 20 0 BCADLP C[C@@H]1CN(CC[N@H+](C)[C@@H](C[NH3+])C2CC2)CCO1 ZINC000420323020 192227787 /nfs/dbraw/zinc/22/77/87/192227787.db2.gz XNNDPLUCLDFREE-YPMHNXCESA-N 2 2 241.379 0.376 20 0 BCADLP C[C@@H]1CN(CC[N@@H+](C)[C@@H](C[NH3+])C2CC2)CCO1 ZINC000420323020 192227789 /nfs/dbraw/zinc/22/77/89/192227789.db2.gz XNNDPLUCLDFREE-YPMHNXCESA-N 2 2 241.379 0.376 20 0 BCADLP CCN(C)C(=O)CC[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000420322081 192228467 /nfs/dbraw/zinc/22/84/67/192228467.db2.gz SCXFLDMFQJCRNT-LBPRGKRZSA-N 2 2 239.363 0.681 20 0 BCADLP CCN(C)C(=O)CC[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000420322081 192228469 /nfs/dbraw/zinc/22/84/69/192228469.db2.gz SCXFLDMFQJCRNT-LBPRGKRZSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@H]1CN(CC[N@H+](C)C2(C[NH3+])CCC2)CCO1 ZINC000420327140 192229489 /nfs/dbraw/zinc/22/94/89/192229489.db2.gz KRBXPEBNGDKUEX-LBPRGKRZSA-N 2 2 241.379 0.520 20 0 BCADLP C[C@H]1CN(CC[N@@H+](C)C2(C[NH3+])CCC2)CCO1 ZINC000420327140 192229491 /nfs/dbraw/zinc/22/94/91/192229491.db2.gz KRBXPEBNGDKUEX-LBPRGKRZSA-N 2 2 241.379 0.520 20 0 BCADLP C[C@@H]1CN(CC[N@H+](C)C2(C[NH3+])CCC2)CCO1 ZINC000420327138 192230311 /nfs/dbraw/zinc/23/03/11/192230311.db2.gz KRBXPEBNGDKUEX-GFCCVEGCSA-N 2 2 241.379 0.520 20 0 BCADLP C[C@@H]1CN(CC[N@@H+](C)C2(C[NH3+])CCC2)CCO1 ZINC000420327138 192230313 /nfs/dbraw/zinc/23/03/13/192230313.db2.gz KRBXPEBNGDKUEX-GFCCVEGCSA-N 2 2 241.379 0.520 20 0 BCADLP CCCNC(=O)[C@H](C)[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420361721 192222911 /nfs/dbraw/zinc/22/29/11/192222911.db2.gz IHUNUCHZEJVVJR-FIQHERPVSA-N 2 2 241.379 0.877 20 0 BCADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)NCC1CCC1 ZINC000420364591 192224336 /nfs/dbraw/zinc/22/43/36/192224336.db2.gz PHLCQSIPBITPKB-LLVKDONJSA-N 2 2 241.379 0.866 20 0 BCADLP CC(=O)N(C[C@@H]1CCC[N@H+]1C[C@H](C)[NH3+])C1CC1 ZINC000420366576 192225257 /nfs/dbraw/zinc/22/52/57/192225257.db2.gz GFACSBVQGAWRKC-GWCFXTLKSA-N 2 2 239.363 0.809 20 0 BCADLP CC(=O)N(C[C@@H]1CCC[N@@H+]1C[C@H](C)[NH3+])C1CC1 ZINC000420366576 192225260 /nfs/dbraw/zinc/22/52/60/192225260.db2.gz GFACSBVQGAWRKC-GWCFXTLKSA-N 2 2 239.363 0.809 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000420369617 192225581 /nfs/dbraw/zinc/22/55/81/192225581.db2.gz XVUCAVLSOWESPT-NSHDSACASA-N 2 2 200.326 0.953 20 0 BCADLP C[NH2+]CCC[N@H+]1CCO[C@H](C(C)C)C1 ZINC000420369617 192225583 /nfs/dbraw/zinc/22/55/83/192225583.db2.gz XVUCAVLSOWESPT-NSHDSACASA-N 2 2 200.326 0.953 20 0 BCADLP C[N@H+](CC[NH3+])CCC(=O)NC1CCCC1 ZINC000420367917 192225591 /nfs/dbraw/zinc/22/55/91/192225591.db2.gz ALAXTIJLIUEOJZ-UHFFFAOYSA-N 2 2 213.325 0.326 20 0 BCADLP C[N@@H+](CC[NH3+])CCC(=O)NC1CCCC1 ZINC000420367917 192225593 /nfs/dbraw/zinc/22/55/93/192225593.db2.gz ALAXTIJLIUEOJZ-UHFFFAOYSA-N 2 2 213.325 0.326 20 0 BCADLP C[C@H](c1nnnn1C)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420403848 192238268 /nfs/dbraw/zinc/23/82/68/192238268.db2.gz LIECITQDIWJFIS-BBBLOLIVSA-N 2 2 238.339 0.188 20 0 BCADLP C[C@H](c1nnnn1C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420403848 192238271 /nfs/dbraw/zinc/23/82/71/192238271.db2.gz LIECITQDIWJFIS-BBBLOLIVSA-N 2 2 238.339 0.188 20 0 BCADLP C[C@H](c1nnnn1C)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420403850 192238565 /nfs/dbraw/zinc/23/85/65/192238565.db2.gz LIECITQDIWJFIS-OPRDCNLKSA-N 2 2 238.339 0.188 20 0 BCADLP C[C@H](c1nnnn1C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420403850 192238568 /nfs/dbraw/zinc/23/85/68/192238568.db2.gz LIECITQDIWJFIS-OPRDCNLKSA-N 2 2 238.339 0.188 20 0 BCADLP Cn1ccnc1C[N@H+](C)CCc1c[nH+]cn1C ZINC000639550231 356421496 /nfs/dbraw/zinc/42/14/96/356421496.db2.gz YGLYCTMJJRWDSY-UHFFFAOYSA-N 2 2 233.319 0.828 20 0 BCADLP Cn1ccnc1C[N@@H+](C)CCc1c[nH+]cn1C ZINC000639550231 356421498 /nfs/dbraw/zinc/42/14/98/356421498.db2.gz YGLYCTMJJRWDSY-UHFFFAOYSA-N 2 2 233.319 0.828 20 0 BCADLP CCCNC(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420373970 192231189 /nfs/dbraw/zinc/23/11/89/192231189.db2.gz RPNPQGFWIYRNAZ-HOSYDEDBSA-N 2 2 227.352 0.489 20 0 BCADLP NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000275593018 181281282 /nfs/dbraw/zinc/28/12/82/181281282.db2.gz JSFGHFYMPQICFA-QWRGUYRKSA-N 2 2 236.319 0.517 20 0 BCADLP NC(=O)[C@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000275593027 181280863 /nfs/dbraw/zinc/28/08/63/181280863.db2.gz JSFGHFYMPQICFA-WDEREUQCSA-N 2 2 236.319 0.517 20 0 BCADLP C[C@@H](O)[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639574920 356497606 /nfs/dbraw/zinc/49/76/06/356497606.db2.gz XHZMDXKFZKXWSE-GHMZBOCLSA-N 2 2 223.320 0.665 20 0 BCADLP C[C@@H](O)[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639574920 356497611 /nfs/dbraw/zinc/49/76/11/356497611.db2.gz XHZMDXKFZKXWSE-GHMZBOCLSA-N 2 2 223.320 0.665 20 0 BCADLP CC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000639629180 356544049 /nfs/dbraw/zinc/54/40/49/356544049.db2.gz RHIRHUVZDFWZFM-UHFFFAOYSA-N 2 2 208.265 0.121 20 0 BCADLP Cc1cc(C)c(C[NH2+]C(CO)CO)c(C)[nH+]1 ZINC000639661644 356570509 /nfs/dbraw/zinc/57/05/09/356570509.db2.gz CLOFRGFMXCHUDB-UHFFFAOYSA-N 2 2 224.304 0.450 20 0 BCADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000623300985 356575059 /nfs/dbraw/zinc/57/50/59/356575059.db2.gz BEFIHWAKCYPQSS-QWRGUYRKSA-N 2 2 248.330 0.266 20 0 BCADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000623300985 356575063 /nfs/dbraw/zinc/57/50/63/356575063.db2.gz BEFIHWAKCYPQSS-QWRGUYRKSA-N 2 2 248.330 0.266 20 0 BCADLP C[C@@H]1CC[C@H](O)C[N@@H+]1CCc1c[nH+]cn1C ZINC000639686927 356596594 /nfs/dbraw/zinc/59/65/94/356596594.db2.gz PXHOIBQRWYMPHM-PWSUYJOCSA-N 2 2 223.320 0.808 20 0 BCADLP C[C@@H]1CC[C@H](O)C[N@H+]1CCc1c[nH+]cn1C ZINC000639686927 356596599 /nfs/dbraw/zinc/59/65/99/356596599.db2.gz PXHOIBQRWYMPHM-PWSUYJOCSA-N 2 2 223.320 0.808 20 0 BCADLP CC(C)N1CC[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1=O ZINC000422982498 192518158 /nfs/dbraw/zinc/51/81/58/192518158.db2.gz QXLBJYISHKPVAM-SDDRHHMPSA-N 2 2 239.363 0.726 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+]C[C@H]2CC=CCC2)C1 ZINC000623756772 356661361 /nfs/dbraw/zinc/66/13/61/356661361.db2.gz FGIZNMKRZSEQHK-QWHCGFSZSA-N 2 2 224.348 0.999 20 0 BCADLP O[C@@H]1CC[N@@H+](CC[NH2+]C[C@H]2CC=CCC2)C1 ZINC000623756772 356661365 /nfs/dbraw/zinc/66/13/65/356661365.db2.gz FGIZNMKRZSEQHK-QWHCGFSZSA-N 2 2 224.348 0.999 20 0 BCADLP C[C@@H]([NH3+])C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000167653814 134153178 /nfs/dbraw/zinc/15/31/78/134153178.db2.gz YEDBONMEIDMNNZ-SNVBAGLBSA-N 2 2 233.315 0.812 20 0 BCADLP C[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000167653814 134153179 /nfs/dbraw/zinc/15/31/79/134153179.db2.gz YEDBONMEIDMNNZ-SNVBAGLBSA-N 2 2 233.315 0.812 20 0 BCADLP CC[C@H](C)NC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088287604 356657092 /nfs/dbraw/zinc/65/70/92/356657092.db2.gz GBHDGDYMZWOKKP-HBNTYKKESA-N 2 2 225.336 0.052 20 0 BCADLP CCCCOC[C@H](O)C[NH2+][C@@H]1CC[N@H+](CC)C1 ZINC000389423841 356659980 /nfs/dbraw/zinc/65/99/80/356659980.db2.gz WEQDNDKRVCEREX-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP CCCCOC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](CC)C1 ZINC000389423841 356659985 /nfs/dbraw/zinc/65/99/85/356659985.db2.gz WEQDNDKRVCEREX-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCCn2ccnn2)C[N@@H+]1C1CC1 ZINC000168141712 134156239 /nfs/dbraw/zinc/15/62/39/134156239.db2.gz YUNSQULSRMSBGX-RYUDHWBXSA-N 2 2 249.362 0.883 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCCn2ccnn2)C[N@H+]1C1CC1 ZINC000168141712 134156240 /nfs/dbraw/zinc/15/62/40/134156240.db2.gz YUNSQULSRMSBGX-RYUDHWBXSA-N 2 2 249.362 0.883 20 0 BCADLP C[C@H]1CC[N@H+](CC(=O)NCC2CC2)C[C@@H]1C[NH3+] ZINC000167766510 134153835 /nfs/dbraw/zinc/15/38/35/134153835.db2.gz MVJLHENFASHNCA-JQWIXIFHSA-N 2 2 239.363 0.429 20 0 BCADLP C[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C[C@@H]1C[NH3+] ZINC000167766510 134153836 /nfs/dbraw/zinc/15/38/36/134153836.db2.gz MVJLHENFASHNCA-JQWIXIFHSA-N 2 2 239.363 0.429 20 0 BCADLP CC(=O)[C@](C)(O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000450430430 202163146 /nfs/dbraw/zinc/16/31/46/202163146.db2.gz RSQYUOGLSCAAJQ-QWHCGFSZSA-N 2 2 242.363 0.600 20 0 BCADLP CC(=O)[C@](C)(O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000450430430 202163149 /nfs/dbraw/zinc/16/31/49/202163149.db2.gz RSQYUOGLSCAAJQ-QWHCGFSZSA-N 2 2 242.363 0.600 20 0 BCADLP CC(=O)[C@](C)(O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000450430430 202163152 /nfs/dbraw/zinc/16/31/52/202163152.db2.gz RSQYUOGLSCAAJQ-QWHCGFSZSA-N 2 2 242.363 0.600 20 0 BCADLP CC(=O)[C@](C)(O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000450430430 202163155 /nfs/dbraw/zinc/16/31/55/202163155.db2.gz RSQYUOGLSCAAJQ-QWHCGFSZSA-N 2 2 242.363 0.600 20 0 BCADLP CC1CC([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000166626033 538620196 /nfs/dbraw/zinc/62/01/96/538620196.db2.gz CJSPJVWUDXKBPY-UHFFFAOYSA-N 2 2 225.336 0.149 20 0 BCADLP Cn1c[nH+]c(CN2CC[C@H]([NH+](C)C)C2)c1 ZINC000639804933 356771616 /nfs/dbraw/zinc/77/16/16/356771616.db2.gz JDSZSRLKBKLSJI-NSHDSACASA-N 2 2 208.309 0.556 20 0 BCADLP CO[C@H]1C[N@H+](CCCn2cc[nH+]c2C)CCO1 ZINC000639832743 356818216 /nfs/dbraw/zinc/81/82/16/356818216.db2.gz CSAYWGUQBRLYCS-GFCCVEGCSA-N 2 2 239.319 0.886 20 0 BCADLP CO[C@H]1C[N@@H+](CCCn2cc[nH+]c2C)CCO1 ZINC000639832743 356818221 /nfs/dbraw/zinc/81/82/21/356818221.db2.gz CSAYWGUQBRLYCS-GFCCVEGCSA-N 2 2 239.319 0.886 20 0 BCADLP CO[C@@H]1C[N@H+](CCn2cc[nH+]c2)CCO1 ZINC000639833805 356819980 /nfs/dbraw/zinc/81/99/80/356819980.db2.gz LXGRBMOIPLAPFQ-JTQLQIEISA-N 2 2 211.265 0.188 20 0 BCADLP CO[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CCO1 ZINC000639833805 356819983 /nfs/dbraw/zinc/81/99/83/356819983.db2.gz LXGRBMOIPLAPFQ-JTQLQIEISA-N 2 2 211.265 0.188 20 0 BCADLP Cn1ccc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000623758974 356820159 /nfs/dbraw/zinc/82/01/59/356820159.db2.gz UZIXMFFIYWGBAI-GFCCVEGCSA-N 2 2 223.320 0.181 20 0 BCADLP Cn1ccc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)c1 ZINC000623758974 356820163 /nfs/dbraw/zinc/82/01/63/356820163.db2.gz UZIXMFFIYWGBAI-GFCCVEGCSA-N 2 2 223.320 0.181 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC000351485572 538708508 /nfs/dbraw/zinc/70/85/08/538708508.db2.gz JYMOYAKJZIBVMB-SNVBAGLBSA-N 2 2 247.302 0.744 20 0 BCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000361982519 356940317 /nfs/dbraw/zinc/94/03/17/356940317.db2.gz USYCICGVDKSLKF-NSHDSACASA-N 2 2 200.326 0.905 20 0 BCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000361982519 356940320 /nfs/dbraw/zinc/94/03/20/356940320.db2.gz USYCICGVDKSLKF-NSHDSACASA-N 2 2 200.326 0.905 20 0 BCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000423202725 192625957 /nfs/dbraw/zinc/62/59/57/192625957.db2.gz LDKKKSMTMHWUCD-GHMZBOCLSA-N 2 2 227.352 0.585 20 0 BCADLP O=C(Nc1ccn2cc[nH+]c2c1)N[C@H]1CC[NH2+]C1 ZINC000582313075 357052621 /nfs/dbraw/zinc/05/26/21/357052621.db2.gz XVOKPEOZMRJBKI-JTQLQIEISA-N 2 2 245.286 0.818 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000389945575 357073047 /nfs/dbraw/zinc/07/30/47/357073047.db2.gz QMTNWGNVYQRVOM-UWVGGRQHSA-N 2 2 213.325 0.182 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000389945575 357073050 /nfs/dbraw/zinc/07/30/50/357073050.db2.gz QMTNWGNVYQRVOM-UWVGGRQHSA-N 2 2 213.325 0.182 20 0 BCADLP CCc1nnc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)[nH]1 ZINC000392482704 357153009 /nfs/dbraw/zinc/15/30/09/357153009.db2.gz ZHIOWMFGBWUZRK-DTWKUNHWSA-N 2 2 223.324 0.727 20 0 BCADLP Cc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)ccn1 ZINC000391179910 357125424 /nfs/dbraw/zinc/12/54/24/357125424.db2.gz LMMQKMGJJAWLLD-CQSZACIVSA-N 2 2 249.358 0.936 20 0 BCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]CC2(F)CC2)C1 ZINC000393681382 357292553 /nfs/dbraw/zinc/29/25/53/357292553.db2.gz DSCLZGVELQIAEG-SNVBAGLBSA-N 2 2 202.273 0.145 20 0 BCADLP C[N@H+]1CC[C@@](O)(C[NH2+]CC2(F)CC2)C1 ZINC000393681382 357292555 /nfs/dbraw/zinc/29/25/55/357292555.db2.gz DSCLZGVELQIAEG-SNVBAGLBSA-N 2 2 202.273 0.145 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000582722040 357371603 /nfs/dbraw/zinc/37/16/03/357371603.db2.gz LPWJAKXVTPJMOO-NSHDSACASA-N 2 2 246.318 0.799 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000582722040 357371606 /nfs/dbraw/zinc/37/16/06/357371606.db2.gz LPWJAKXVTPJMOO-NSHDSACASA-N 2 2 246.318 0.799 20 0 BCADLP COC[C@@H](O)CC[NH2+]Cc1c[nH+]c(C)n1C ZINC000582676976 357357963 /nfs/dbraw/zinc/35/79/63/357357963.db2.gz JMFQAFWWWIVBQR-NSHDSACASA-N 2 2 227.308 0.216 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H](C)C[S@](C)=O)n1C ZINC000582675810 357361255 /nfs/dbraw/zinc/36/12/55/357361255.db2.gz ACZYXYINNXXVKJ-GLEZIHRCSA-N 2 2 229.349 0.585 20 0 BCADLP C[NH+](C)C1CC([NH2+]Cc2cnc3cnccn23)C1 ZINC000582856977 357421837 /nfs/dbraw/zinc/42/18/37/357421837.db2.gz VLKFWDMTVDOTAY-UHFFFAOYSA-N 2 2 245.330 0.912 20 0 BCADLP c1ncc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000157714089 538836260 /nfs/dbraw/zinc/83/62/60/538836260.db2.gz YCJKCUQQHDNOPA-DTORHVGOSA-N 2 2 209.318 0.794 20 0 BCADLP c1ncc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000157714089 538836261 /nfs/dbraw/zinc/83/62/61/538836261.db2.gz YCJKCUQQHDNOPA-DTORHVGOSA-N 2 2 209.318 0.794 20 0 BCADLP Cc1nn(C)c(C)c1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000086109474 357853741 /nfs/dbraw/zinc/85/37/41/357853741.db2.gz ZJQRFKIAHOZYNY-NSHDSACASA-N 2 2 222.336 0.879 20 0 BCADLP CO[C@@H]1C[N@H+](C[C@@H]([NH3+])CC(C)C)C[C@@H]1OC ZINC000234804717 357831090 /nfs/dbraw/zinc/83/10/90/357831090.db2.gz UUNVNUQIUBYUKI-SDDRHHMPSA-N 2 2 230.352 0.705 20 0 BCADLP CO[C@@H]1C[N@@H+](C[C@@H]([NH3+])CC(C)C)C[C@@H]1OC ZINC000234804717 357831095 /nfs/dbraw/zinc/83/10/95/357831095.db2.gz UUNVNUQIUBYUKI-SDDRHHMPSA-N 2 2 230.352 0.705 20 0 BCADLP C[NH2+]CC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000193128207 357861110 /nfs/dbraw/zinc/86/11/10/357861110.db2.gz ITTLMOBUEMUNJI-UHFFFAOYSA-N 2 2 244.298 0.708 20 0 BCADLP C[C@@H]1CCCN(Cc2c[nH+]cn2C)[C@@H]1C[NH3+] ZINC000085170888 134224508 /nfs/dbraw/zinc/22/45/08/134224508.db2.gz HGLNFLSAZSXMSQ-ZYHUDNBSSA-N 2 2 222.336 0.979 20 0 BCADLP COC(=O)c1coc(C[N@H+](C)CCC[NH3+])c1 ZINC000583812174 357957606 /nfs/dbraw/zinc/95/76/06/357957606.db2.gz UNWNTVUGSAOPCD-UHFFFAOYSA-N 2 2 226.276 0.847 20 0 BCADLP COC(=O)c1coc(C[N@@H+](C)CCC[NH3+])c1 ZINC000583812174 357957609 /nfs/dbraw/zinc/95/76/09/357957609.db2.gz UNWNTVUGSAOPCD-UHFFFAOYSA-N 2 2 226.276 0.847 20 0 BCADLP COC(=O)CC1([NH2+]CCn2cc[nH+]c2)CC1 ZINC000584472915 357990383 /nfs/dbraw/zinc/99/03/83/357990383.db2.gz KAUNHHUWJMGORQ-UHFFFAOYSA-N 2 2 223.276 0.568 20 0 BCADLP C[N@H+](C[C@H](O)C[NH2+]C1CC(F)(F)C1)C1CC1 ZINC000584465395 357992925 /nfs/dbraw/zinc/99/29/25/357992925.db2.gz GISUDTWUEBXMKE-SNVBAGLBSA-N 2 2 234.290 0.829 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH2+]C1CC(F)(F)C1)C1CC1 ZINC000584465395 357992928 /nfs/dbraw/zinc/99/29/28/357992928.db2.gz GISUDTWUEBXMKE-SNVBAGLBSA-N 2 2 234.290 0.829 20 0 BCADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]C1CC1 ZINC000036262883 358024775 /nfs/dbraw/zinc/02/47/75/358024775.db2.gz ZEVHSUUVAUAPDZ-UHFFFAOYSA-N 2 2 236.319 0.532 20 0 BCADLP CC1([NH+]2CCCC2)CC[NH+](CCO)CC1 ZINC000639982934 358026096 /nfs/dbraw/zinc/02/60/96/358026096.db2.gz YGRYCGIMIVUYIY-UHFFFAOYSA-N 2 2 212.337 0.929 20 0 BCADLP CCC1([NH+](C)C)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000640018156 358080898 /nfs/dbraw/zinc/08/08/98/358080898.db2.gz UKOOOHPSFANJHA-LLVKDONJSA-N 2 2 239.363 0.681 20 0 BCADLP CCn1ccnc1C[NH2+]CCn1cc[nH+]c1 ZINC000051924091 358101706 /nfs/dbraw/zinc/10/17/06/358101706.db2.gz HCSOEGZPUMTABS-UHFFFAOYSA-N 2 2 219.292 0.889 20 0 BCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH+]1CCC1 ZINC000584738845 358164709 /nfs/dbraw/zinc/16/47/09/358164709.db2.gz VACGJHFPWJROSG-UHFFFAOYSA-N 2 2 222.292 0.164 20 0 BCADLP [NH3+]CC1(CC(=O)NCCc2[nH]cc[nH+]2)CC1 ZINC000584779047 358176168 /nfs/dbraw/zinc/17/61/68/358176168.db2.gz MRYLOJLSWPDRMC-UHFFFAOYSA-N 2 2 222.292 0.197 20 0 BCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C[NH3+])c1ccccc1 ZINC000040428832 358235726 /nfs/dbraw/zinc/23/57/26/358235726.db2.gz RSEKQGATUPXARX-LBPRGKRZSA-N 2 2 244.298 0.584 20 0 BCADLP CC(C)COC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000226061707 358332693 /nfs/dbraw/zinc/33/26/93/358332693.db2.gz WDCHLANNPQTUPZ-QWHCGFSZSA-N 2 2 244.379 0.704 20 0 BCADLP CC(C)COC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000226061707 358332699 /nfs/dbraw/zinc/33/26/99/358332699.db2.gz WDCHLANNPQTUPZ-QWHCGFSZSA-N 2 2 244.379 0.704 20 0 BCADLP C[N@@H+]1CCN(Cc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000226615707 358341424 /nfs/dbraw/zinc/34/14/24/358341424.db2.gz KPSXBIQUCJHFIG-ZDUSSCGKSA-N 2 2 237.322 0.900 20 0 BCADLP C[N@H+]1CCN(Cc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000226615707 358341428 /nfs/dbraw/zinc/34/14/28/358341428.db2.gz KPSXBIQUCJHFIG-ZDUSSCGKSA-N 2 2 237.322 0.900 20 0 BCADLP C[N@@H+]1CCN(Cc2ccncc2)[C@@H](C[NH3+])C1 ZINC000226616654 358341812 /nfs/dbraw/zinc/34/18/12/358341812.db2.gz IBVHMKDJELOHLC-LBPRGKRZSA-N 2 2 220.320 0.156 20 0 BCADLP C[N@H+]1CCN(Cc2ccncc2)[C@@H](C[NH3+])C1 ZINC000226616654 358341815 /nfs/dbraw/zinc/34/18/15/358341815.db2.gz IBVHMKDJELOHLC-LBPRGKRZSA-N 2 2 220.320 0.156 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@H+](C[C@H]2CCCCO2)CCO1 ZINC000252685209 366417663 /nfs/dbraw/zinc/41/76/63/366417663.db2.gz HRHHYBPHDQBXCL-QJPTWQEYSA-N 2 2 228.336 0.604 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@@H+](C[C@H]2CCCCO2)CCO1 ZINC000252685209 366417671 /nfs/dbraw/zinc/41/76/71/366417671.db2.gz HRHHYBPHDQBXCL-QJPTWQEYSA-N 2 2 228.336 0.604 20 0 BCADLP Cn1cnnc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228548321 358377271 /nfs/dbraw/zinc/37/72/71/358377271.db2.gz QFXOAJRORSZRKZ-HBNTYKKESA-N 2 2 235.335 0.374 20 0 BCADLP Cn1cnnc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228548321 358377273 /nfs/dbraw/zinc/37/72/73/358377273.db2.gz QFXOAJRORSZRKZ-HBNTYKKESA-N 2 2 235.335 0.374 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC(C)C)C1 ZINC000173914680 134276458 /nfs/dbraw/zinc/27/64/58/134276458.db2.gz YVQJJPJNQYRXAS-GFCCVEGCSA-N 2 2 241.379 0.785 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC(C)C)C1 ZINC000173914680 134276459 /nfs/dbraw/zinc/27/64/59/134276459.db2.gz YVQJJPJNQYRXAS-GFCCVEGCSA-N 2 2 241.379 0.785 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC(C)C)C1 ZINC000173914680 134276460 /nfs/dbraw/zinc/27/64/60/134276460.db2.gz YVQJJPJNQYRXAS-GFCCVEGCSA-N 2 2 241.379 0.785 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC(C)C)C1 ZINC000173914680 134276461 /nfs/dbraw/zinc/27/64/61/134276461.db2.gz YVQJJPJNQYRXAS-GFCCVEGCSA-N 2 2 241.379 0.785 20 0 BCADLP C[NH+]1CCC([NH2+][C@H]2CCN(C3CC3)C2)CC1 ZINC000044683922 358551176 /nfs/dbraw/zinc/55/11/76/358551176.db2.gz UFTRTGALTASFIG-LBPRGKRZSA-N 2 2 223.364 0.907 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129739462 358594940 /nfs/dbraw/zinc/59/49/40/358594940.db2.gz PYXVEKKEEIQLNR-VWYCJHECSA-N 2 2 227.352 0.583 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129739462 358594945 /nfs/dbraw/zinc/59/49/45/358594945.db2.gz PYXVEKKEEIQLNR-VWYCJHECSA-N 2 2 227.352 0.583 20 0 BCADLP CC(C)NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000133303439 358750955 /nfs/dbraw/zinc/75/09/55/358750955.db2.gz DVDYOTPJEKKBNE-LLVKDONJSA-N 2 2 229.368 0.816 20 0 BCADLP CC(C)NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000133303439 358750957 /nfs/dbraw/zinc/75/09/57/358750957.db2.gz DVDYOTPJEKKBNE-LLVKDONJSA-N 2 2 229.368 0.816 20 0 BCADLP COC(=O)[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000050048624 358710384 /nfs/dbraw/zinc/71/03/84/358710384.db2.gz AUPLJZWXGOCQDK-LLVKDONJSA-N 2 2 237.303 0.829 20 0 BCADLP COC(=O)[C@H]1CCC[N@H+]1CCn1cc[nH+]c1C ZINC000050048624 358710388 /nfs/dbraw/zinc/71/03/88/358710388.db2.gz AUPLJZWXGOCQDK-LLVKDONJSA-N 2 2 237.303 0.829 20 0 BCADLP CCOC(=O)C[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000050063846 358711683 /nfs/dbraw/zinc/71/16/83/358711683.db2.gz OEKPYRLLTJQPGY-UHFFFAOYSA-N 2 2 237.303 0.911 20 0 BCADLP CCOC(=O)C[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000050063846 358711684 /nfs/dbraw/zinc/71/16/84/358711684.db2.gz OEKPYRLLTJQPGY-UHFFFAOYSA-N 2 2 237.303 0.911 20 0 BCADLP CC(C)OC[C@H](CO)[N@H+](C)Cc1c[nH+]cn1C ZINC000578282541 366474379 /nfs/dbraw/zinc/47/43/79/366474379.db2.gz HUEXPAZPKTYAIA-LBPRGKRZSA-N 2 2 241.335 0.638 20 0 BCADLP CC(C)OC[C@H](CO)[N@@H+](C)Cc1c[nH+]cn1C ZINC000578282541 366474384 /nfs/dbraw/zinc/47/43/84/366474384.db2.gz HUEXPAZPKTYAIA-LBPRGKRZSA-N 2 2 241.335 0.638 20 0 BCADLP C[NH+]1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000086402728 358967112 /nfs/dbraw/zinc/96/71/12/358967112.db2.gz OATUVQZPPOPFEH-JQWIXIFHSA-N 3 2 211.353 0.940 20 0 BCADLP CC[NH+]1CCC([NH2+]CCN(C)CCOC)CC1 ZINC000061374953 358932881 /nfs/dbraw/zinc/93/28/81/358932881.db2.gz LKJIGGDJNYIYDU-UHFFFAOYSA-N 2 2 243.395 0.639 20 0 BCADLP C[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000071207229 359073781 /nfs/dbraw/zinc/07/37/81/359073781.db2.gz VWNVPBNXPORPAU-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718107 359088836 /nfs/dbraw/zinc/08/88/36/359088836.db2.gz JCCDXSBWJWATPO-VXGBXAGGSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718107 359088840 /nfs/dbraw/zinc/08/88/40/359088840.db2.gz JCCDXSBWJWATPO-VXGBXAGGSA-N 2 2 239.363 0.668 20 0 BCADLP CC(C)C[C@@H]([NH3+])C(=O)NCc1[nH+]ccn1C ZINC000070854874 359064676 /nfs/dbraw/zinc/06/46/76/359064676.db2.gz DFYWFJYOXYRGPS-SECBINFHSA-N 2 2 224.308 0.410 20 0 BCADLP CC(C)[C@@H](C[NH3+])C(=O)NCc1[nH+]ccn1C ZINC000070854597 359065307 /nfs/dbraw/zinc/06/53/07/359065307.db2.gz QLJGTYIZPVYVCA-SECBINFHSA-N 2 2 224.308 0.267 20 0 BCADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)[C@@H](C)CO1 ZINC000246594329 359149839 /nfs/dbraw/zinc/14/98/39/359149839.db2.gz OJTRLQYECCTDFY-QWRGUYRKSA-N 2 2 209.293 0.992 20 0 BCADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)[C@@H](C)CO1 ZINC000246594329 359149843 /nfs/dbraw/zinc/14/98/43/359149843.db2.gz OJTRLQYECCTDFY-QWRGUYRKSA-N 2 2 209.293 0.992 20 0 BCADLP CCNC(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861018 359230705 /nfs/dbraw/zinc/23/07/05/359230705.db2.gz SSELNFHUYCENFZ-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP CCNC(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861018 359230706 /nfs/dbraw/zinc/23/07/06/359230706.db2.gz SSELNFHUYCENFZ-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP CCNC(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075861018 359230707 /nfs/dbraw/zinc/23/07/07/359230707.db2.gz SSELNFHUYCENFZ-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP CCNC(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075861018 359230709 /nfs/dbraw/zinc/23/07/09/359230709.db2.gz SSELNFHUYCENFZ-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP C[C@@H](C(N)=O)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860327 359230741 /nfs/dbraw/zinc/23/07/41/359230741.db2.gz OOFTWFZKHBHXLZ-QWRGUYRKSA-N 2 2 227.352 0.666 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860327 359230743 /nfs/dbraw/zinc/23/07/43/359230743.db2.gz OOFTWFZKHBHXLZ-QWRGUYRKSA-N 2 2 227.352 0.666 20 0 BCADLP C[C@@H](C(N)=O)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860327 359230745 /nfs/dbraw/zinc/23/07/45/359230745.db2.gz OOFTWFZKHBHXLZ-QWRGUYRKSA-N 2 2 227.352 0.666 20 0 BCADLP C[C@@H](C(N)=O)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860327 359230747 /nfs/dbraw/zinc/23/07/47/359230747.db2.gz OOFTWFZKHBHXLZ-QWRGUYRKSA-N 2 2 227.352 0.666 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247117170 359214911 /nfs/dbraw/zinc/21/49/11/359214911.db2.gz IYGDGIQNVZSCDA-NEPJUHHUSA-N 2 2 241.379 0.785 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247117170 359214914 /nfs/dbraw/zinc/21/49/14/359214914.db2.gz IYGDGIQNVZSCDA-NEPJUHHUSA-N 2 2 241.379 0.785 20 0 BCADLP Cc1ccnc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)c1 ZINC000423512712 192800073 /nfs/dbraw/zinc/80/00/73/192800073.db2.gz KYLRXWADRHVNGS-CHWSQXEVSA-N 2 2 248.374 0.944 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]CC1(C)CC1 ZINC000379612729 359566554 /nfs/dbraw/zinc/56/65/54/359566554.db2.gz WBHFLKRJCDSNSZ-UHFFFAOYSA-N 2 2 200.326 0.690 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]CC1(C)CC1 ZINC000379612729 359566558 /nfs/dbraw/zinc/56/65/58/359566558.db2.gz WBHFLKRJCDSNSZ-UHFFFAOYSA-N 2 2 200.326 0.690 20 0 BCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC000580480980 359577446 /nfs/dbraw/zinc/57/74/46/359577446.db2.gz XCXZUGJEZOXFOK-NWDGAFQWSA-N 2 2 248.330 0.436 20 0 BCADLP C[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC000580480980 359577449 /nfs/dbraw/zinc/57/74/49/359577449.db2.gz XCXZUGJEZOXFOK-NWDGAFQWSA-N 2 2 248.330 0.436 20 0 BCADLP CN(C)c1nc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc[nH+]1 ZINC000450777780 202264612 /nfs/dbraw/zinc/26/46/12/202264612.db2.gz KJBACTMIIRSXIL-WDEREUQCSA-N 2 2 247.346 0.683 20 0 BCADLP CN(C)c1nc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc[nH+]1 ZINC000450777780 202264616 /nfs/dbraw/zinc/26/46/16/202264616.db2.gz KJBACTMIIRSXIL-WDEREUQCSA-N 2 2 247.346 0.683 20 0 BCADLP Cn1cncc1C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430583600 192879873 /nfs/dbraw/zinc/87/98/73/192879873.db2.gz NGRMBBCIFZPDGB-LLVKDONJSA-N 2 2 208.309 0.637 20 0 BCADLP CCn1nnc(C)c1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000451170344 202369072 /nfs/dbraw/zinc/36/90/72/202369072.db2.gz DFCQUQINVGHWRK-SNVBAGLBSA-N 2 2 239.367 0.894 20 0 BCADLP C[N@H+](CC[C@H]1CCC[NH+]1C)C(C)(C)C(N)=O ZINC000451138560 202362016 /nfs/dbraw/zinc/36/20/16/202362016.db2.gz ZXQCZDMSNGWYHX-SNVBAGLBSA-N 2 2 227.352 0.666 20 0 BCADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)C(C)(C)C(N)=O ZINC000451138560 202362019 /nfs/dbraw/zinc/36/20/19/202362019.db2.gz ZXQCZDMSNGWYHX-SNVBAGLBSA-N 2 2 227.352 0.666 20 0 BCADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)C(C)(C)C(N)=O ZINC000451138560 202362021 /nfs/dbraw/zinc/36/20/21/202362021.db2.gz ZXQCZDMSNGWYHX-SNVBAGLBSA-N 2 2 227.352 0.666 20 0 BCADLP C[NH+](CC[C@H]1CCC[N@H+]1C)C(C)(C)C(N)=O ZINC000451138560 202362023 /nfs/dbraw/zinc/36/20/23/202362023.db2.gz ZXQCZDMSNGWYHX-SNVBAGLBSA-N 2 2 227.352 0.666 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(O)(CC)CC1 ZINC000578545172 366595523 /nfs/dbraw/zinc/59/55/23/366595523.db2.gz HTYZBVULZVLCGK-GFCCVEGCSA-N 2 2 244.379 0.536 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(O)(CC)CC1 ZINC000578545172 366595527 /nfs/dbraw/zinc/59/55/27/366595527.db2.gz HTYZBVULZVLCGK-GFCCVEGCSA-N 2 2 244.379 0.536 20 0 BCADLP CC(C)[C@@H](NC(=O)[C@@H](C)[NH3+])c1[nH]cc[nH+]1 ZINC000578887801 366668860 /nfs/dbraw/zinc/66/88/60/366668860.db2.gz LISHYSVHRLQPMH-HTQZYQBOSA-N 2 2 210.281 0.570 20 0 BCADLP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nn1 ZINC000090714565 360084645 /nfs/dbraw/zinc/08/46/45/360084645.db2.gz GBGVPSYYVXXTGF-ZYHUDNBSSA-N 2 2 235.335 0.532 20 0 BCADLP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)nn1 ZINC000090714565 360084648 /nfs/dbraw/zinc/08/46/48/360084648.db2.gz GBGVPSYYVXXTGF-ZYHUDNBSSA-N 2 2 235.335 0.532 20 0 BCADLP CC[N@@H+]1CCN(C(=O)C2([NH+](C)C)CC2)C[C@H]1C ZINC000612954892 360213695 /nfs/dbraw/zinc/21/36/95/360213695.db2.gz WIUCAFABHPOEIR-LLVKDONJSA-N 2 2 239.363 0.633 20 0 BCADLP CC[N@H+]1CCN(C(=O)C2([NH+](C)C)CC2)C[C@H]1C ZINC000612954892 360213699 /nfs/dbraw/zinc/21/36/99/360213699.db2.gz WIUCAFABHPOEIR-LLVKDONJSA-N 2 2 239.363 0.633 20 0 BCADLP Cn1nncc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597031 360262425 /nfs/dbraw/zinc/26/24/25/360262425.db2.gz ZOZGRCMQJHLPHJ-GFCCVEGCSA-N 2 2 249.362 0.733 20 0 BCADLP Cn1nncc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597031 360262430 /nfs/dbraw/zinc/26/24/30/360262430.db2.gz ZOZGRCMQJHLPHJ-GFCCVEGCSA-N 2 2 249.362 0.733 20 0 BCADLP Cn1nncc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597032 360263143 /nfs/dbraw/zinc/26/31/43/360263143.db2.gz ZOZGRCMQJHLPHJ-LBPRGKRZSA-N 2 2 249.362 0.733 20 0 BCADLP Cn1nncc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597032 360263146 /nfs/dbraw/zinc/26/31/46/360263146.db2.gz ZOZGRCMQJHLPHJ-LBPRGKRZSA-N 2 2 249.362 0.733 20 0 BCADLP C[C@@H](CCO)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000097439778 360372284 /nfs/dbraw/zinc/37/22/84/360372284.db2.gz HNUHVSYXPRHQDS-JTQLQIEISA-N 2 2 240.351 0.594 20 0 BCADLP C[NH+](C)C1CN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000613118415 360374804 /nfs/dbraw/zinc/37/48/04/360374804.db2.gz RTLTXZVTFJXAJE-VIFPVBQESA-N 2 2 248.330 0.287 20 0 BCADLP C[NH+](C)C1CN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000613118415 360374806 /nfs/dbraw/zinc/37/48/06/360374806.db2.gz RTLTXZVTFJXAJE-VIFPVBQESA-N 2 2 248.330 0.287 20 0 BCADLP CCC[NH+]1CCC([NH2+]C2(C(N)=O)CC2)CC1 ZINC000309520797 491149869 /nfs/dbraw/zinc/14/98/69/491149869.db2.gz CBABHOJEIWPCHV-UHFFFAOYSA-N 2 2 225.336 0.468 20 0 BCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)CC[C@H]1[NH3+] ZINC000430916970 192896672 /nfs/dbraw/zinc/89/66/72/192896672.db2.gz IRKLDBHOICTIMI-ZYHUDNBSSA-N 2 2 239.363 0.572 20 0 BCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)CC[C@H]1[NH3+] ZINC000430916970 192896675 /nfs/dbraw/zinc/89/66/75/192896675.db2.gz IRKLDBHOICTIMI-ZYHUDNBSSA-N 2 2 239.363 0.572 20 0 BCADLP c1ncn(-c2ccc(C[NH2+][C@@H]3CC[NH2+]C3)cc2)n1 ZINC000629408404 361059528 /nfs/dbraw/zinc/05/95/28/361059528.db2.gz PBCYIGMHLSSXGS-GFCCVEGCSA-N 2 2 243.314 0.719 20 0 BCADLP CC(C)(C[NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424175179 200875790 /nfs/dbraw/zinc/87/57/90/200875790.db2.gz NOHGGLSXOXLPBD-QMMMGPOBSA-N 2 2 249.305 0.332 20 0 BCADLP COc1cncc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000629521571 361118095 /nfs/dbraw/zinc/11/80/95/361118095.db2.gz VHKVFIKDVODSNY-UWVGGRQHSA-N 2 2 236.319 0.654 20 0 BCADLP COc1cncc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000629521571 361118099 /nfs/dbraw/zinc/11/80/99/361118099.db2.gz VHKVFIKDVODSNY-UWVGGRQHSA-N 2 2 236.319 0.654 20 0 BCADLP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629518880 361119173 /nfs/dbraw/zinc/11/91/73/361119173.db2.gz CHKJVYFHORXAQR-NEPJUHHUSA-N 3 2 241.379 0.601 20 0 BCADLP C[C@H](O)[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000578987617 366687111 /nfs/dbraw/zinc/68/71/11/366687111.db2.gz IZMQRFXJWGCPNC-SRVKXCTJSA-N 2 2 228.336 0.068 20 0 BCADLP C[C@H](O)[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000578987617 366687119 /nfs/dbraw/zinc/68/71/19/366687119.db2.gz IZMQRFXJWGCPNC-SRVKXCTJSA-N 2 2 228.336 0.068 20 0 BCADLP C[N@H+](CC(=O)NCC(C)(C)C)C1CC[NH2+]CC1 ZINC000629509864 361104702 /nfs/dbraw/zinc/10/47/02/361104702.db2.gz PMYMYDGLXFUBMJ-UHFFFAOYSA-N 2 2 241.379 0.833 20 0 BCADLP C[N@@H+](CC(=O)NCC(C)(C)C)C1CC[NH2+]CC1 ZINC000629509864 361104705 /nfs/dbraw/zinc/10/47/05/361104705.db2.gz PMYMYDGLXFUBMJ-UHFFFAOYSA-N 2 2 241.379 0.833 20 0 BCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000629510256 361106984 /nfs/dbraw/zinc/10/69/84/361106984.db2.gz OWYKQFMGJBSLTF-GXSJLCMTSA-N 2 2 237.351 0.776 20 0 BCADLP CCn1nnc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000629510256 361106989 /nfs/dbraw/zinc/10/69/89/361106989.db2.gz OWYKQFMGJBSLTF-GXSJLCMTSA-N 2 2 237.351 0.776 20 0 BCADLP C[NH2+][C@@H]1CCC[N@H+](CCOC2CCOCC2)C1 ZINC000629510709 361108775 /nfs/dbraw/zinc/10/87/75/361108775.db2.gz DWAWEVYIIZZOKB-GFCCVEGCSA-N 2 2 242.363 0.866 20 0 BCADLP C[NH2+][C@@H]1CCC[N@@H+](CCOC2CCOCC2)C1 ZINC000629510709 361108778 /nfs/dbraw/zinc/10/87/78/361108778.db2.gz DWAWEVYIIZZOKB-GFCCVEGCSA-N 2 2 242.363 0.866 20 0 BCADLP C[N@H+](CCOC1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000629510873 361108950 /nfs/dbraw/zinc/10/89/50/361108950.db2.gz WFUPBWVZEZAKLQ-LLVKDONJSA-N 2 2 228.336 0.476 20 0 BCADLP C[N@@H+](CCOC1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000629510873 361108952 /nfs/dbraw/zinc/10/89/52/361108952.db2.gz WFUPBWVZEZAKLQ-LLVKDONJSA-N 2 2 228.336 0.476 20 0 BCADLP Nc1ncccc1C[NH2+]CC1([NH3+])CCC1 ZINC000629519378 361120353 /nfs/dbraw/zinc/12/03/53/361120353.db2.gz PXNLMOQAZSBSAP-UHFFFAOYSA-N 2 2 206.293 0.635 20 0 BCADLP COc1cncc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000629516564 361114821 /nfs/dbraw/zinc/11/48/21/361114821.db2.gz KNQYRUIQDVODKV-VHSXEESVSA-N 2 2 236.319 0.654 20 0 BCADLP COc1cncc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000629516564 361114822 /nfs/dbraw/zinc/11/48/22/361114822.db2.gz KNQYRUIQDVODKV-VHSXEESVSA-N 2 2 236.319 0.654 20 0 BCADLP CCn1nnc(C)c1C[NH+]1CCC(C)([NH3+])CC1 ZINC000629527095 361132449 /nfs/dbraw/zinc/13/24/49/361132449.db2.gz JXGWHGRPZQBHIY-UHFFFAOYSA-N 2 2 237.351 0.920 20 0 BCADLP Nc1ncccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000629528552 361136731 /nfs/dbraw/zinc/13/67/31/361136731.db2.gz BUXOQNFYNUPRDO-PHIMTYICSA-N 2 2 218.304 0.315 20 0 BCADLP Nc1ncccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000629528552 361136733 /nfs/dbraw/zinc/13/67/33/361136733.db2.gz BUXOQNFYNUPRDO-PHIMTYICSA-N 2 2 218.304 0.315 20 0 BCADLP C[NH2+]CCOCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000629531444 361149131 /nfs/dbraw/zinc/14/91/31/361149131.db2.gz LEZNMITWLLIEMH-NEPJUHHUSA-N 3 2 229.368 0.343 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1COCCN1C)[C@H]1CCCC[NH2+]1 ZINC000629532884 361155323 /nfs/dbraw/zinc/15/53/23/361155323.db2.gz XCRYUSCMWOXHGA-JHJVBQTASA-N 2 2 241.379 0.437 20 0 BCADLP C[C@H](c1ccccn1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000579126061 366719369 /nfs/dbraw/zinc/71/93/69/366719369.db2.gz JFFKUKUYIYVZJD-ZJUUUORDSA-N 2 2 209.293 0.394 20 0 BCADLP C[C@H](c1ccccn1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000579126061 366719373 /nfs/dbraw/zinc/71/93/73/366719373.db2.gz JFFKUKUYIYVZJD-ZJUUUORDSA-N 2 2 209.293 0.394 20 0 BCADLP CSCCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000162688932 361360364 /nfs/dbraw/zinc/36/03/64/361360364.db2.gz JXVOCJXLPIADLR-SNVBAGLBSA-N 2 2 245.392 0.231 20 0 BCADLP CSCCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000162688932 361360367 /nfs/dbraw/zinc/36/03/67/361360367.db2.gz JXVOCJXLPIADLR-SNVBAGLBSA-N 2 2 245.392 0.231 20 0 BCADLP CCC[N@H+](CCn1cc[nH+]c1)CC(N)=O ZINC000429152409 201072716 /nfs/dbraw/zinc/07/27/16/201072716.db2.gz AMERGNXSCHBWTQ-UHFFFAOYSA-N 2 2 210.281 0.080 20 0 BCADLP CCC[N@@H+](CCn1cc[nH+]c1)CC(N)=O ZINC000429152409 201072719 /nfs/dbraw/zinc/07/27/19/201072719.db2.gz AMERGNXSCHBWTQ-UHFFFAOYSA-N 2 2 210.281 0.080 20 0 BCADLP CCC[N@H+](CC[C@H]1CCC[NH+]1C)CC(N)=O ZINC000429120029 201067772 /nfs/dbraw/zinc/06/77/72/201067772.db2.gz BRQMJGCSLCDLCX-LLVKDONJSA-N 2 2 227.352 0.668 20 0 BCADLP CCC[N@@H+](CC[C@H]1CCC[NH+]1C)CC(N)=O ZINC000429120029 201067774 /nfs/dbraw/zinc/06/77/74/201067774.db2.gz BRQMJGCSLCDLCX-LLVKDONJSA-N 2 2 227.352 0.668 20 0 BCADLP CCC[NH+](CC[C@H]1CCC[N@@H+]1C)CC(N)=O ZINC000429120029 201067778 /nfs/dbraw/zinc/06/77/78/201067778.db2.gz BRQMJGCSLCDLCX-LLVKDONJSA-N 2 2 227.352 0.668 20 0 BCADLP CCC[NH+](CC[C@H]1CCC[N@H+]1C)CC(N)=O ZINC000429120029 201067781 /nfs/dbraw/zinc/06/77/81/201067781.db2.gz BRQMJGCSLCDLCX-LLVKDONJSA-N 2 2 227.352 0.668 20 0 BCADLP [NH3+]C1(C[NH2+]CC(=O)NC2CCCC2)CCC1 ZINC000342126982 181331301 /nfs/dbraw/zinc/33/13/01/181331301.db2.gz FUBVBWZKKGUPRD-UHFFFAOYSA-N 2 2 225.336 0.516 20 0 BCADLP Cc1ccncc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000629539410 361404570 /nfs/dbraw/zinc/40/45/70/361404570.db2.gz XMHGBEKIHDZNLG-LLVKDONJSA-N 2 2 209.293 0.141 20 0 BCADLP Cc1ccncc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000629539410 361404572 /nfs/dbraw/zinc/40/45/72/361404572.db2.gz XMHGBEKIHDZNLG-LLVKDONJSA-N 2 2 209.293 0.141 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629540265 361398639 /nfs/dbraw/zinc/39/86/39/361398639.db2.gz OGMGCGJSBFGVKY-NAWOPXAZSA-N 3 2 241.379 0.469 20 0 BCADLP COc1cncc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])n1 ZINC000629538916 361403366 /nfs/dbraw/zinc/40/33/66/361403366.db2.gz OHVDBMMJAZKEQB-GHMZBOCLSA-N 2 2 236.319 0.845 20 0 BCADLP C[C@@H]1C[N@H+](CCOC2CCOCC2)C[C@H]1[NH3+] ZINC000629535240 361410383 /nfs/dbraw/zinc/41/03/83/361410383.db2.gz FMNBCQJANWBFKC-ZYHUDNBSSA-N 2 2 228.336 0.461 20 0 BCADLP C[C@@H]1C[N@@H+](CCOC2CCOCC2)C[C@H]1[NH3+] ZINC000629535240 361410386 /nfs/dbraw/zinc/41/03/86/361410386.db2.gz FMNBCQJANWBFKC-ZYHUDNBSSA-N 2 2 228.336 0.461 20 0 BCADLP Cc1cncc(C[NH2+]C2(CO)CC[NH2+]CC2)c1 ZINC000629543853 361413183 /nfs/dbraw/zinc/41/31/83/361413183.db2.gz FYOLVHDQPFTMMI-UHFFFAOYSA-N 2 2 235.331 0.594 20 0 BCADLP C/C=C/C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000629540547 361414520 /nfs/dbraw/zinc/41/45/20/361414520.db2.gz VIMXICWDHHHICE-JGLYPNHGSA-N 2 2 210.321 0.919 20 0 BCADLP C[NH2+]CCC[N@H+](C)Cc1cccnc1N ZINC000629534608 361407698 /nfs/dbraw/zinc/40/76/98/361407698.db2.gz AOUOLZXAHXVWDD-UHFFFAOYSA-N 2 2 208.309 0.705 20 0 BCADLP C[NH2+]CCC[N@@H+](C)Cc1cccnc1N ZINC000629534608 361407705 /nfs/dbraw/zinc/40/77/05/361407705.db2.gz AOUOLZXAHXVWDD-UHFFFAOYSA-N 2 2 208.309 0.705 20 0 BCADLP C[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1[nH+]ccn1C ZINC000629544922 361424257 /nfs/dbraw/zinc/42/42/57/361424257.db2.gz NVVJDEVNDIRUJH-IVZWLZJFSA-N 2 2 208.309 0.821 20 0 BCADLP CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000629553290 361437224 /nfs/dbraw/zinc/43/72/24/361437224.db2.gz FYFPNNHJFRWDLF-MXWKQRLJSA-N 2 2 246.376 0.294 20 0 BCADLP c1c[nH+]c([C@H](N[C@@H]2CC[NH2+]C2)c2cccnc2)[nH]1 ZINC000629553207 361437537 /nfs/dbraw/zinc/43/75/37/361437537.db2.gz OSKZAZAIQWTTKF-VXGBXAGGSA-N 2 2 243.314 0.846 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)N[C@@H]1CC[NH2+]C1 ZINC000629553599 361438793 /nfs/dbraw/zinc/43/87/93/361438793.db2.gz AUYIUYHSJDHAGW-NXEZZACHSA-N 2 2 208.309 0.916 20 0 BCADLP C[C@@H](CCCC[NH3+])[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000629556646 361450292 /nfs/dbraw/zinc/45/02/92/361450292.db2.gz WIVQZHKLCIVBEH-RYUDHWBXSA-N 3 2 229.368 0.160 20 0 BCADLP C[C@@H](CCCC[NH3+])[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000629556646 361450293 /nfs/dbraw/zinc/45/02/93/361450293.db2.gz WIVQZHKLCIVBEH-RYUDHWBXSA-N 3 2 229.368 0.160 20 0 BCADLP Cc1nnc([C@H](C)[N@H+](C)CCOCC[NH3+])[nH]1 ZINC000629581030 361470665 /nfs/dbraw/zinc/47/06/65/361470665.db2.gz KFYTWHAFEHDIMH-QMMMGPOBSA-N 2 2 227.312 0.081 20 0 BCADLP Cc1nnc([C@H](C)[N@@H+](C)CCOCC[NH3+])[nH]1 ZINC000629581030 361470668 /nfs/dbraw/zinc/47/06/68/361470668.db2.gz KFYTWHAFEHDIMH-QMMMGPOBSA-N 2 2 227.312 0.081 20 0 BCADLP C[C@H](C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1)CS(C)(=O)=O ZINC000430942675 201159754 /nfs/dbraw/zinc/15/97/54/201159754.db2.gz DHJCLQGWNSCMEF-GMTAPVOTSA-N 2 2 248.392 0.336 20 0 BCADLP C[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1)CS(C)(=O)=O ZINC000430942675 201159757 /nfs/dbraw/zinc/15/97/57/201159757.db2.gz DHJCLQGWNSCMEF-GMTAPVOTSA-N 2 2 248.392 0.336 20 0 BCADLP CC[N@H+](CC[NH3+])CCO[C@H]1CC1(F)F ZINC000629560168 361454490 /nfs/dbraw/zinc/45/44/90/361454490.db2.gz XKFDULQKZOHUGS-QMMMGPOBSA-N 2 2 208.252 0.691 20 0 BCADLP CC[N@@H+](CC[NH3+])CCO[C@H]1CC1(F)F ZINC000629560168 361454495 /nfs/dbraw/zinc/45/44/95/361454495.db2.gz XKFDULQKZOHUGS-QMMMGPOBSA-N 2 2 208.252 0.691 20 0 BCADLP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629655747 361560024 /nfs/dbraw/zinc/56/00/24/361560024.db2.gz YCPHYMAFWJIJCN-NWDGAFQWSA-N 3 2 241.379 0.615 20 0 BCADLP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629655750 361560202 /nfs/dbraw/zinc/56/02/02/361560202.db2.gz YCPHYMAFWJIJCN-VXGBXAGGSA-N 3 2 241.379 0.615 20 0 BCADLP COCC[NH2+]CC[NH2+]CC1=CCCOC1 ZINC000629648148 361538876 /nfs/dbraw/zinc/53/88/76/361538876.db2.gz PVIJJGULEVZQLZ-UHFFFAOYSA-N 2 2 214.309 0.159 20 0 BCADLP C[C@@H]1CC[C@H]([NH2+]C[C@]2(C)CC[NH2+]C2)C[NH2+]1 ZINC000629659740 361564734 /nfs/dbraw/zinc/56/47/34/361564734.db2.gz GAJHHDYZNKVVMM-GRYCIOLGSA-N 3 2 211.353 0.716 20 0 BCADLP C[C@@H]([NH3+])[C@H]1C[N@H+](CC2=CCCOC2)CCO1 ZINC000629652025 361549417 /nfs/dbraw/zinc/54/94/17/361549417.db2.gz SPYRLCYATXMUMN-ZYHUDNBSSA-N 2 2 226.320 0.381 20 0 BCADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CC2=CCCOC2)CCO1 ZINC000629652025 361549420 /nfs/dbraw/zinc/54/94/20/361549420.db2.gz SPYRLCYATXMUMN-ZYHUDNBSSA-N 2 2 226.320 0.381 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CC2=CCCOC2)CCO1 ZINC000629652023 361549521 /nfs/dbraw/zinc/54/95/21/361549521.db2.gz SPYRLCYATXMUMN-JQWIXIFHSA-N 2 2 226.320 0.381 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC2=CCCOC2)CCO1 ZINC000629652023 361549523 /nfs/dbraw/zinc/54/95/23/361549523.db2.gz SPYRLCYATXMUMN-JQWIXIFHSA-N 2 2 226.320 0.381 20 0 BCADLP C[NH2+]CCOCC[N@H+](C)Cc1cc[nH]n1 ZINC000629652601 361551687 /nfs/dbraw/zinc/55/16/87/361551687.db2.gz JJSOXCOCZJSFSQ-UHFFFAOYSA-N 2 2 212.297 0.078 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)Cc1cc[nH]n1 ZINC000629652601 361551692 /nfs/dbraw/zinc/55/16/92/361551692.db2.gz JJSOXCOCZJSFSQ-UHFFFAOYSA-N 2 2 212.297 0.078 20 0 BCADLP O=C1[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)CCN1C1CCC1 ZINC000629673874 361596573 /nfs/dbraw/zinc/59/65/73/361596573.db2.gz LTTGZVWPTPZLNX-PWSUYJOCSA-N 2 2 237.347 0.481 20 0 BCADLP C[NH2+]CCC[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000435870451 201291109 /nfs/dbraw/zinc/29/11/09/201291109.db2.gz GDLVWOFTWWPLSW-MNOVXSKESA-N 2 2 225.336 0.339 20 0 BCADLP C[NH2+]CCC[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000435870451 201291112 /nfs/dbraw/zinc/29/11/12/201291112.db2.gz GDLVWOFTWWPLSW-MNOVXSKESA-N 2 2 225.336 0.339 20 0 BCADLP C[C@@H]1CSCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000070621646 361649851 /nfs/dbraw/zinc/64/98/51/361649851.db2.gz IEFOVABKVLLNMO-ZJUUUORDSA-N 2 2 216.350 0.412 20 0 BCADLP C[C@@H]1CSCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000070621646 361649853 /nfs/dbraw/zinc/64/98/53/361649853.db2.gz IEFOVABKVLLNMO-ZJUUUORDSA-N 2 2 216.350 0.412 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000435873524 201292652 /nfs/dbraw/zinc/29/26/52/201292652.db2.gz DVOSJKVWNYYTDB-LBPRGKRZSA-N 2 2 238.335 0.193 20 0 BCADLP C[NH2+]CCC[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000435873524 201292654 /nfs/dbraw/zinc/29/26/54/201292654.db2.gz DVOSJKVWNYYTDB-LBPRGKRZSA-N 2 2 238.335 0.193 20 0 BCADLP COCC[N@@H+]1CC[C@H](N[C@@H](C)C[NH+](C)C)C1 ZINC000328269762 363870069 /nfs/dbraw/zinc/87/00/69/363870069.db2.gz PDQONFFRGGCOKF-RYUDHWBXSA-N 2 2 229.368 0.247 20 0 BCADLP COCC[N@H+]1CC[C@H](N[C@@H](C)C[NH+](C)C)C1 ZINC000328269762 363870076 /nfs/dbraw/zinc/87/00/76/363870076.db2.gz PDQONFFRGGCOKF-RYUDHWBXSA-N 2 2 229.368 0.247 20 0 BCADLP CC[C@@H]1C[N@H+](CC(=O)OC)CC[C@@H]1[NH3+] ZINC000122836076 363887653 /nfs/dbraw/zinc/88/76/53/363887653.db2.gz CKSJTEGLCYDFQA-BDAKNGLRSA-N 2 2 200.282 0.219 20 0 BCADLP CC[C@@H]1C[N@@H+](CC(=O)OC)CC[C@@H]1[NH3+] ZINC000122836076 363887657 /nfs/dbraw/zinc/88/76/57/363887657.db2.gz CKSJTEGLCYDFQA-BDAKNGLRSA-N 2 2 200.282 0.219 20 0 BCADLP [NH3+]CC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000237967817 181351389 /nfs/dbraw/zinc/35/13/89/181351389.db2.gz SEMRBZAXSZPQMS-UHFFFAOYSA-N 2 2 239.344 0.181 20 0 BCADLP [NH3+]CC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000237967817 181351391 /nfs/dbraw/zinc/35/13/91/181351391.db2.gz SEMRBZAXSZPQMS-UHFFFAOYSA-N 2 2 239.344 0.181 20 0 BCADLP c1cc2[nH+]ccc(NC[C@@H]3COCC[NH2+]3)c2cn1 ZINC000630531580 364218456 /nfs/dbraw/zinc/21/84/56/364218456.db2.gz BYYDFEVFPDZUMT-SNVBAGLBSA-N 2 2 244.298 0.452 20 0 BCADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccnn2C)C[NH2+]1 ZINC000398967512 364377701 /nfs/dbraw/zinc/37/77/01/364377701.db2.gz SHGAGJHOKIFJBU-VHSXEESVSA-N 2 2 208.309 0.650 20 0 BCADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](CC)C(N)=O)C1 ZINC000245442201 364536636 /nfs/dbraw/zinc/53/66/36/364536636.db2.gz WCFKDCLJQNNMDY-VXGBXAGGSA-N 2 2 241.379 0.914 20 0 BCADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](CC)C(N)=O)C1 ZINC000245442201 364536639 /nfs/dbraw/zinc/53/66/39/364536639.db2.gz WCFKDCLJQNNMDY-VXGBXAGGSA-N 2 2 241.379 0.914 20 0 BCADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](CC)C(N)=O)C1 ZINC000245442201 364536644 /nfs/dbraw/zinc/53/66/44/364536644.db2.gz WCFKDCLJQNNMDY-VXGBXAGGSA-N 2 2 241.379 0.914 20 0 BCADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](CC)C(N)=O)C1 ZINC000245442201 364536647 /nfs/dbraw/zinc/53/66/47/364536647.db2.gz WCFKDCLJQNNMDY-VXGBXAGGSA-N 2 2 241.379 0.914 20 0 BCADLP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000615299976 364680121 /nfs/dbraw/zinc/68/01/21/364680121.db2.gz CJWYUKYWUWSPTO-WDEREUQCSA-N 2 2 236.319 0.434 20 0 BCADLP C[C@@H]1CC[C@H](NCc2c[nH+]cn2C)C[NH2+]1 ZINC000399013911 364722781 /nfs/dbraw/zinc/72/27/81/364722781.db2.gz BLXMOTLNRKCOFR-ZJUUUORDSA-N 2 2 208.309 0.650 20 0 BCADLP CN(C)c1ccc(CNC(=O)C2([NH3+])CCC2)c[nH+]1 ZINC000573319925 364796867 /nfs/dbraw/zinc/79/68/67/364796867.db2.gz CULASXMBPSDTBV-UHFFFAOYSA-N 2 2 248.330 0.645 20 0 BCADLP C[C@@H](CC(=O)N(C)C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399077776 364782560 /nfs/dbraw/zinc/78/25/60/364782560.db2.gz QPWFHEVLPWCJFG-VWYCJHECSA-N 2 2 227.352 0.583 20 0 BCADLP Cc1[nH]ccc1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000573564735 364863438 /nfs/dbraw/zinc/86/34/38/364863438.db2.gz MTOAFPJBHLELAX-JTQLQIEISA-N 2 2 236.319 0.038 20 0 BCADLP Cc1[nH]ccc1C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000573564735 364863430 /nfs/dbraw/zinc/86/34/30/364863430.db2.gz MTOAFPJBHLELAX-JTQLQIEISA-N 2 2 236.319 0.038 20 0 BCADLP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000328461719 364853717 /nfs/dbraw/zinc/85/37/17/364853717.db2.gz HLYZABZBROROIK-QJPTWQEYSA-N 2 2 212.337 0.831 20 0 BCADLP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000328461719 364853719 /nfs/dbraw/zinc/85/37/19/364853719.db2.gz HLYZABZBROROIK-QJPTWQEYSA-N 2 2 212.337 0.831 20 0 BCADLP CCCCOCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653075258 487527940 /nfs/dbraw/zinc/52/79/40/487527940.db2.gz LCIATQQRCNZCGB-LLVKDONJSA-N 2 2 245.367 0.198 20 0 BCADLP Cc1ccnc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000328306439 364825144 /nfs/dbraw/zinc/82/51/44/364825144.db2.gz VSIZZLBFECJQMG-CQSZACIVSA-N 2 2 249.358 0.935 20 0 BCADLP Cc1ccnc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000328306439 364825150 /nfs/dbraw/zinc/82/51/50/364825150.db2.gz VSIZZLBFECJQMG-CQSZACIVSA-N 2 2 249.358 0.935 20 0 BCADLP [NH3+]CCCCC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000573476369 364843252 /nfs/dbraw/zinc/84/32/52/364843252.db2.gz CIIQAVCIIUXGBT-SECBINFHSA-N 2 2 249.305 0.476 20 0 BCADLP [NH3+]CCCCC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000573476370 364843332 /nfs/dbraw/zinc/84/33/32/364843332.db2.gz CIIQAVCIIUXGBT-VIFPVBQESA-N 2 2 249.305 0.476 20 0 BCADLP COc1ncccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000095009486 541388299 /nfs/dbraw/zinc/38/82/99/541388299.db2.gz ORXUHTWBYAAKSW-RYUDHWBXSA-N 2 2 233.315 0.741 20 0 BCADLP [NH3+]CCCC(=O)NCCCNc1cccc[nH+]1 ZINC000262665083 181371634 /nfs/dbraw/zinc/37/16/34/181371634.db2.gz PELIYRBKLXZFPS-UHFFFAOYSA-N 2 2 236.319 0.739 20 0 BCADLP O=C(Cn1cc[nH+]c1)NCCC[NH+]1CCCC1 ZINC000573773147 364912584 /nfs/dbraw/zinc/91/25/84/364912584.db2.gz NYGYFNZPKVWGOJ-UHFFFAOYSA-N 2 2 236.319 0.485 20 0 BCADLP [NH3+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000237804229 181381966 /nfs/dbraw/zinc/38/19/66/181381966.db2.gz TXIVDYMBDIHSFF-UHFFFAOYSA-N 2 2 245.286 0.346 20 0 BCADLP [NH3+]CC[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000110826666 181391310 /nfs/dbraw/zinc/39/13/10/181391310.db2.gz XZRQKFXGKGYXMQ-UHFFFAOYSA-N 2 2 247.342 0.840 20 0 BCADLP CCOC(=O)C1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000574876718 365156643 /nfs/dbraw/zinc/15/66/43/365156643.db2.gz DFWMMFFTXCNIST-VIFPVBQESA-N 2 2 214.309 0.609 20 0 BCADLP CSC[C@@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000574806085 365147940 /nfs/dbraw/zinc/14/79/40/365147940.db2.gz UPDSJDPHDWEDFL-ZJUUUORDSA-N 2 2 241.360 0.511 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000574813956 365150542 /nfs/dbraw/zinc/15/05/42/365150542.db2.gz SBGOGMKPUBDCGM-KCJUWKMLSA-N 2 2 220.276 0.086 20 0 BCADLP C[C@@H]1CC[N@H+](CC(=O)NCc2[nH+]ccn2C)C1 ZINC000575163751 365224859 /nfs/dbraw/zinc/22/48/59/365224859.db2.gz UVNPZSMJKYWGBS-SNVBAGLBSA-N 2 2 236.319 0.378 20 0 BCADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2[nH+]ccn2C)C1 ZINC000575163751 365224863 /nfs/dbraw/zinc/22/48/63/365224863.db2.gz UVNPZSMJKYWGBS-SNVBAGLBSA-N 2 2 236.319 0.378 20 0 BCADLP CCOC1CC(O)(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000444014375 193032924 /nfs/dbraw/zinc/03/29/24/193032924.db2.gz PHJCDZFGIPMHMT-GMKTYKIGSA-N 2 2 242.363 0.456 20 0 BCADLP CCOC1CC(O)(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000444014375 193032925 /nfs/dbraw/zinc/03/29/25/193032925.db2.gz PHJCDZFGIPMHMT-GMKTYKIGSA-N 2 2 242.363 0.456 20 0 BCADLP C[C@H]1CC[N@H+](CC(=O)NCc2[nH+]ccn2C)C1 ZINC000575163749 365225985 /nfs/dbraw/zinc/22/59/85/365225985.db2.gz UVNPZSMJKYWGBS-JTQLQIEISA-N 2 2 236.319 0.378 20 0 BCADLP C[C@H]1CC[N@@H+](CC(=O)NCc2[nH+]ccn2C)C1 ZINC000575163749 365225989 /nfs/dbraw/zinc/22/59/89/365225989.db2.gz UVNPZSMJKYWGBS-JTQLQIEISA-N 2 2 236.319 0.378 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C1CC[NH+](C)CC1 ZINC000443456356 193022430 /nfs/dbraw/zinc/02/24/30/193022430.db2.gz QBEBFXOOXQEZAT-UHFFFAOYSA-N 2 2 236.319 0.676 20 0 BCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CC[NH2+]1 ZINC000444178104 193039202 /nfs/dbraw/zinc/03/92/02/193039202.db2.gz BDJUGHOXQXACMP-SNVBAGLBSA-N 2 2 234.303 0.126 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444176732 193039249 /nfs/dbraw/zinc/03/92/49/193039249.db2.gz QTLLGBIWCIYFPX-NTZNESFSSA-N 2 2 248.330 0.387 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444266027 193043256 /nfs/dbraw/zinc/04/32/56/193043256.db2.gz COHCKPRWHAYGPB-BXKDBHETSA-N 2 2 234.303 0.334 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C1CCCC1 ZINC000379851429 365316209 /nfs/dbraw/zinc/31/62/09/365316209.db2.gz DVRJZIKESNRMPZ-ZDUSSCGKSA-N 2 2 244.379 0.800 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C1CCCC1 ZINC000379851429 365316215 /nfs/dbraw/zinc/31/62/15/365316215.db2.gz DVRJZIKESNRMPZ-ZDUSSCGKSA-N 2 2 244.379 0.800 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C1CCCC1 ZINC000379851429 365316219 /nfs/dbraw/zinc/31/62/19/365316219.db2.gz DVRJZIKESNRMPZ-ZDUSSCGKSA-N 2 2 244.379 0.800 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C1CCCC1 ZINC000379851429 365316222 /nfs/dbraw/zinc/31/62/22/365316222.db2.gz DVRJZIKESNRMPZ-ZDUSSCGKSA-N 2 2 244.379 0.800 20 0 BCADLP COCc1noc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000575749310 365351906 /nfs/dbraw/zinc/35/19/06/365351906.db2.gz PFLZNXFSWPETKE-IUCAKERBSA-N 2 2 240.307 0.385 20 0 BCADLP COCc1noc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000575749310 365351908 /nfs/dbraw/zinc/35/19/08/365351908.db2.gz PFLZNXFSWPETKE-IUCAKERBSA-N 2 2 240.307 0.385 20 0 BCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH+](C)C ZINC000575759560 365356705 /nfs/dbraw/zinc/35/67/05/365356705.db2.gz VFQVBPZWPWNKTM-JTQLQIEISA-N 2 2 238.335 0.656 20 0 BCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH+](C)C ZINC000575759560 365356708 /nfs/dbraw/zinc/35/67/08/365356708.db2.gz VFQVBPZWPWNKTM-JTQLQIEISA-N 2 2 238.335 0.656 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H](CO)C(C)C)n1C ZINC000575762744 365358476 /nfs/dbraw/zinc/35/84/76/365358476.db2.gz FKWMXEOOAGCBHX-LLVKDONJSA-N 2 2 211.309 0.835 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCOC[C@]1(C)CC ZINC000575932384 365420772 /nfs/dbraw/zinc/42/07/72/365420772.db2.gz JLCXQPSRARCNRH-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCOC[C@]1(C)CC ZINC000575932384 365420774 /nfs/dbraw/zinc/42/07/74/365420774.db2.gz JLCXQPSRARCNRH-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCOC[C@]1(C)CC ZINC000575932384 365420777 /nfs/dbraw/zinc/42/07/77/365420777.db2.gz JLCXQPSRARCNRH-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCOC[C@]1(C)CC ZINC000575932384 365420779 /nfs/dbraw/zinc/42/07/79/365420779.db2.gz JLCXQPSRARCNRH-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CF ZINC000575879066 365404067 /nfs/dbraw/zinc/40/40/67/365404067.db2.gz IDSHXXIXMXFUDF-QWRGUYRKSA-N 2 2 218.316 0.733 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CF ZINC000575879066 365404073 /nfs/dbraw/zinc/40/40/73/365404073.db2.gz IDSHXXIXMXFUDF-QWRGUYRKSA-N 2 2 218.316 0.733 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1CF ZINC000575879066 365404077 /nfs/dbraw/zinc/40/40/77/365404077.db2.gz IDSHXXIXMXFUDF-QWRGUYRKSA-N 2 2 218.316 0.733 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1CF ZINC000575879066 365404085 /nfs/dbraw/zinc/40/40/85/365404085.db2.gz IDSHXXIXMXFUDF-QWRGUYRKSA-N 2 2 218.316 0.733 20 0 BCADLP Cc1cnn(C)c1C[NH2+]C1CC([NH+](C)C)C1 ZINC000579732120 366998372 /nfs/dbraw/zinc/99/83/72/366998372.db2.gz REWAUTVHDQPGEX-UHFFFAOYSA-N 2 2 222.336 0.911 20 0 BCADLP Cc1noc(CCC[N@@H+](C)[C@H](C)C[NH3+])n1 ZINC000579714553 366989321 /nfs/dbraw/zinc/98/93/21/366989321.db2.gz GDIITTUJKHOJNQ-MRVPVSSYSA-N 2 2 212.297 0.590 20 0 BCADLP Cc1noc(CCC[N@H+](C)[C@H](C)C[NH3+])n1 ZINC000579714553 366989324 /nfs/dbraw/zinc/98/93/24/366989324.db2.gz GDIITTUJKHOJNQ-MRVPVSSYSA-N 2 2 212.297 0.590 20 0 BCADLP COCC[NH2+]CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000579733115 366997915 /nfs/dbraw/zinc/99/79/15/366997915.db2.gz FHELTUBREYSTPC-MNOVXSKESA-N 3 2 215.341 0.082 20 0 BCADLP C[NH2+]CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000579830693 367036098 /nfs/dbraw/zinc/03/60/98/367036098.db2.gz JNSWXHTZIZBZSE-UHFFFAOYSA-N 2 2 245.286 0.217 20 0 BCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000622309178 370836902 /nfs/dbraw/zinc/83/69/02/370836902.db2.gz GOFWGTKZMKTVCS-JTQLQIEISA-N 2 2 247.302 0.593 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000581022297 367239400 /nfs/dbraw/zinc/23/94/00/367239400.db2.gz RDRRIZXEMFJXKK-SQLBVSGCSA-N 2 2 225.336 0.454 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000581022297 367239406 /nfs/dbraw/zinc/23/94/06/367239406.db2.gz RDRRIZXEMFJXKK-SQLBVSGCSA-N 2 2 225.336 0.454 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)n1C ZINC000581261425 367313134 /nfs/dbraw/zinc/31/31/34/367313134.db2.gz QYDVEYQCFXQZEB-NEPJUHHUSA-N 2 2 239.319 0.358 20 0 BCADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH3+] ZINC000381700290 367449288 /nfs/dbraw/zinc/44/92/88/367449288.db2.gz GXFPYRPRTGCQKA-DTWKUNHWSA-N 2 2 210.281 0.125 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CC(C)(C)C ZINC000383600789 367642741 /nfs/dbraw/zinc/64/27/41/367642741.db2.gz QFFISTZCSSQSQZ-GFCCVEGCSA-N 2 2 246.395 0.903 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CC(C)(C)C ZINC000383600789 367642744 /nfs/dbraw/zinc/64/27/44/367642744.db2.gz QFFISTZCSSQSQZ-GFCCVEGCSA-N 2 2 246.395 0.903 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CC(C)(C)C ZINC000383600789 367642752 /nfs/dbraw/zinc/64/27/52/367642752.db2.gz QFFISTZCSSQSQZ-GFCCVEGCSA-N 2 2 246.395 0.903 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CC(C)(C)C ZINC000383600789 367642757 /nfs/dbraw/zinc/64/27/57/367642757.db2.gz QFFISTZCSSQSQZ-GFCCVEGCSA-N 2 2 246.395 0.903 20 0 BCADLP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000383644570 367646878 /nfs/dbraw/zinc/64/68/78/367646878.db2.gz CDKUAMJBUBDWQD-AAEUAGOBSA-N 3 2 243.395 0.371 20 0 BCADLP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000383644570 367646881 /nfs/dbraw/zinc/64/68/81/367646881.db2.gz CDKUAMJBUBDWQD-AAEUAGOBSA-N 3 2 243.395 0.371 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000581608443 367631692 /nfs/dbraw/zinc/63/16/92/367631692.db2.gz GIWODDXQYXEWTN-ZJUUUORDSA-N 2 2 221.308 0.310 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000581608443 367631696 /nfs/dbraw/zinc/63/16/96/367631696.db2.gz GIWODDXQYXEWTN-ZJUUUORDSA-N 2 2 221.308 0.310 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000581608440 367632209 /nfs/dbraw/zinc/63/22/09/367632209.db2.gz GIWODDXQYXEWTN-NXEZZACHSA-N 2 2 221.308 0.310 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000581608440 367632215 /nfs/dbraw/zinc/63/22/15/367632215.db2.gz GIWODDXQYXEWTN-NXEZZACHSA-N 2 2 221.308 0.310 20 0 BCADLP CC1=CC[N@H+](CC[NH2+]CCC(N)=O)CC1 ZINC000581722027 367785200 /nfs/dbraw/zinc/78/52/00/367785200.db2.gz BWZVMVJVHALWRE-UHFFFAOYSA-N 2 2 211.309 0.103 20 0 BCADLP CC1=CC[N@@H+](CC[NH2+]CCC(N)=O)CC1 ZINC000581722027 367785203 /nfs/dbraw/zinc/78/52/03/367785203.db2.gz BWZVMVJVHALWRE-UHFFFAOYSA-N 2 2 211.309 0.103 20 0 BCADLP Cc1csc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000087613771 367915503 /nfs/dbraw/zinc/91/55/03/367915503.db2.gz NRUVRSRKDUFTTC-JTQLQIEISA-N 2 2 240.376 0.526 20 0 BCADLP Cc1csc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000087613771 367915505 /nfs/dbraw/zinc/91/55/05/367915505.db2.gz NRUVRSRKDUFTTC-JTQLQIEISA-N 2 2 240.376 0.526 20 0 BCADLP CC(C)CCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000087613531 367917070 /nfs/dbraw/zinc/91/70/70/367917070.db2.gz WIUSHXJJVOTLOZ-LLVKDONJSA-N 2 2 227.352 0.524 20 0 BCADLP CC(C)CCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000087613531 367917073 /nfs/dbraw/zinc/91/70/73/367917073.db2.gz WIUSHXJJVOTLOZ-LLVKDONJSA-N 2 2 227.352 0.524 20 0 BCADLP CC(C)CCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613530 367917097 /nfs/dbraw/zinc/91/70/97/367917097.db2.gz WIUSHXJJVOTLOZ-NSHDSACASA-N 2 2 227.352 0.524 20 0 BCADLP CC(C)CCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613530 367917100 /nfs/dbraw/zinc/91/71/00/367917100.db2.gz WIUSHXJJVOTLOZ-NSHDSACASA-N 2 2 227.352 0.524 20 0 BCADLP CCC[C@@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613498 367917160 /nfs/dbraw/zinc/91/71/60/367917160.db2.gz YBHFVENNOITXJS-MNOVXSKESA-N 2 2 227.352 0.524 20 0 BCADLP CCC[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613498 367917162 /nfs/dbraw/zinc/91/71/62/367917162.db2.gz YBHFVENNOITXJS-MNOVXSKESA-N 2 2 227.352 0.524 20 0 BCADLP CCC[C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613499 367917285 /nfs/dbraw/zinc/91/72/85/367917285.db2.gz YBHFVENNOITXJS-QWRGUYRKSA-N 2 2 227.352 0.524 20 0 BCADLP CCC[C@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613499 367917288 /nfs/dbraw/zinc/91/72/88/367917288.db2.gz YBHFVENNOITXJS-QWRGUYRKSA-N 2 2 227.352 0.524 20 0 BCADLP C[N@@H+]1CCN(Cc2cccnc2)[C@H](C[NH3+])C1 ZINC000087613470 367917395 /nfs/dbraw/zinc/91/73/95/367917395.db2.gz SVMSUIIEGZXGGC-GFCCVEGCSA-N 2 2 220.320 0.156 20 0 BCADLP C[N@H+]1CCN(Cc2cccnc2)[C@H](C[NH3+])C1 ZINC000087613470 367917396 /nfs/dbraw/zinc/91/73/96/367917396.db2.gz SVMSUIIEGZXGGC-GFCCVEGCSA-N 2 2 220.320 0.156 20 0 BCADLP C[C@H]([NH2+]C[C@H]1COCCO1)[C@H]1CCCC[NH2+]1 ZINC000386561391 367992406 /nfs/dbraw/zinc/99/24/06/367992406.db2.gz JDQQBVMYAYVZEV-SDDRHHMPSA-N 2 2 228.336 0.522 20 0 BCADLP COC[C@H](CCO)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386601794 368000020 /nfs/dbraw/zinc/00/00/20/368000020.db2.gz UZPLNWKJRYLNRF-SDDRHHMPSA-N 2 2 230.352 0.504 20 0 BCADLP C[C@H]([NH2+]CCOCCO)[C@H]1CCCC[NH2+]1 ZINC000386607197 368000299 /nfs/dbraw/zinc/00/02/99/368000299.db2.gz VXWPGOXPQAUQLZ-WDEREUQCSA-N 2 2 216.325 0.116 20 0 BCADLP CC[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000082304325 368669351 /nfs/dbraw/zinc/66/93/51/368669351.db2.gz OTULRGWDGVLKPZ-UHFFFAOYSA-N 2 2 222.292 0.047 20 0 BCADLP C[C@H](O)CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000082993696 368731151 /nfs/dbraw/zinc/73/11/51/368731151.db2.gz WRKLXKOQCCAWCC-VIFPVBQESA-N 2 2 226.324 0.347 20 0 BCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000086271971 368877909 /nfs/dbraw/zinc/87/79/09/368877909.db2.gz SKHIEGYSZYCWJN-IUCAKERBSA-N 2 2 222.292 0.034 20 0 BCADLP Cc1[nH]c2ccc(Cn3nnnc3C[NH3+])cc2[nH+]1 ZINC000084070510 368847033 /nfs/dbraw/zinc/84/70/33/368847033.db2.gz HGQLLYRCJQDCDO-UHFFFAOYSA-N 2 2 243.274 0.365 20 0 BCADLP Cc1[nH]c2cc(Cn3nnnc3C[NH3+])ccc2[nH+]1 ZINC000084070510 368847038 /nfs/dbraw/zinc/84/70/38/368847038.db2.gz HGQLLYRCJQDCDO-UHFFFAOYSA-N 2 2 243.274 0.365 20 0 BCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2ccccn2)C1 ZINC000631823788 368984355 /nfs/dbraw/zinc/98/43/55/368984355.db2.gz NYKODJVTHPPDHO-QWRGUYRKSA-N 2 2 248.330 0.689 20 0 BCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2ccccn2)C1 ZINC000631823788 368984358 /nfs/dbraw/zinc/98/43/58/368984358.db2.gz NYKODJVTHPPDHO-QWRGUYRKSA-N 2 2 248.330 0.689 20 0 BCADLP [NH3+]C1(C[NH2+]CC(=O)Nc2ccccn2)CCC1 ZINC000631823723 368983180 /nfs/dbraw/zinc/98/31/80/368983180.db2.gz MKGOSQXDTZGTJV-UHFFFAOYSA-N 2 2 234.303 0.491 20 0 BCADLP [NH3+][C@H]1CCCCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000631835633 369048413 /nfs/dbraw/zinc/04/84/13/369048413.db2.gz WNQBZEZXNHMEKR-ZDUSSCGKSA-N 3 2 240.395 0.095 20 0 BCADLP [NH3+][C@H]1CCCCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000631835633 369048418 /nfs/dbraw/zinc/04/84/18/369048418.db2.gz WNQBZEZXNHMEKR-ZDUSSCGKSA-N 3 2 240.395 0.095 20 0 BCADLP [NH3+][C@@H]1CCCCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000631835249 369042047 /nfs/dbraw/zinc/04/20/47/369042047.db2.gz PTJUHRIZKXLONG-ZJUUUORDSA-N 2 2 211.309 0.078 20 0 BCADLP [NH3+][C@@H]1CCCCC[N@H+]([C@H]2CCNC2=O)C1 ZINC000631835249 369042055 /nfs/dbraw/zinc/04/20/55/369042055.db2.gz PTJUHRIZKXLONG-ZJUUUORDSA-N 2 2 211.309 0.078 20 0 BCADLP c1c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)nc2ncccn12 ZINC000107855913 369363022 /nfs/dbraw/zinc/36/30/22/369363022.db2.gz RNUVEMNJDYRBRN-GHMZBOCLSA-N 2 2 243.314 0.381 20 0 BCADLP CCn1nccc1CC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631861542 369469513 /nfs/dbraw/zinc/46/95/13/369469513.db2.gz DBYUNUUWMIVLPH-WDEREUQCSA-N 2 2 222.336 0.867 20 0 BCADLP CCn1nccc1CC[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631861542 369469518 /nfs/dbraw/zinc/46/95/18/369469518.db2.gz DBYUNUUWMIVLPH-WDEREUQCSA-N 2 2 222.336 0.867 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631861974 369474580 /nfs/dbraw/zinc/47/45/80/369474580.db2.gz KGSUWZQXJCPKAQ-UWVGGRQHSA-N 2 2 213.325 0.276 20 0 BCADLP COC(=O)C(C)(C)[NH2+]CCCc1c[nH+]cn1C ZINC000568168727 326318882 /nfs/dbraw/zinc/31/88/82/326318882.db2.gz PTRWTCKSQAZQEI-UHFFFAOYSA-N 2 2 239.319 0.894 20 0 BCADLP CC(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[NH2+]1 ZINC000621154826 370127206 /nfs/dbraw/zinc/12/72/06/370127206.db2.gz SXRVZFBKHCXNOA-LLVKDONJSA-N 2 2 236.319 0.340 20 0 BCADLP C[C@H]1CC[N@H+](CCn2cc[nH+]c2)C[C@@H]1CO ZINC000621372158 370309259 /nfs/dbraw/zinc/30/92/59/370309259.db2.gz QKRNBVAALMLAHW-NWDGAFQWSA-N 2 2 223.320 0.833 20 0 BCADLP C[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C[C@@H]1CO ZINC000621372158 370309263 /nfs/dbraw/zinc/30/92/63/370309263.db2.gz QKRNBVAALMLAHW-NWDGAFQWSA-N 2 2 223.320 0.833 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)C1CC1 ZINC000310520294 370350518 /nfs/dbraw/zinc/35/05/18/370350518.db2.gz LVIFPYIUHZRPFY-DGCLKSJQSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)C1CC1 ZINC000310520294 370350523 /nfs/dbraw/zinc/35/05/23/370350523.db2.gz LVIFPYIUHZRPFY-DGCLKSJQSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)C1CC1 ZINC000310520294 370350525 /nfs/dbraw/zinc/35/05/25/370350525.db2.gz LVIFPYIUHZRPFY-DGCLKSJQSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)C1CC1 ZINC000310520294 370350528 /nfs/dbraw/zinc/35/05/28/370350528.db2.gz LVIFPYIUHZRPFY-DGCLKSJQSA-N 2 2 244.379 0.656 20 0 BCADLP C[C@H](CNC(=O)C(C)(C)c1c[nH]c[nH+]1)[NH+](C)C ZINC000621539133 370383586 /nfs/dbraw/zinc/38/35/86/370383586.db2.gz HHZVUGCKBWVYOA-SECBINFHSA-N 2 2 238.335 0.754 20 0 BCADLP CC(=O)N1CC[C@@H]([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000621387796 370330699 /nfs/dbraw/zinc/33/06/99/370330699.db2.gz OTHQWGIYCNVBKH-YUSALJHKSA-N 2 2 225.336 0.147 20 0 BCADLP CC(=O)N1CC[C@@H]([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000621387796 370330704 /nfs/dbraw/zinc/33/07/04/370330704.db2.gz OTHQWGIYCNVBKH-YUSALJHKSA-N 2 2 225.336 0.147 20 0 BCADLP Cc1nccnc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000621720078 370471193 /nfs/dbraw/zinc/47/11/93/370471193.db2.gz JDSVRJICTNPJPS-PHIMTYICSA-N 2 2 218.304 0.436 20 0 BCADLP Cc1nccnc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000621720078 370471197 /nfs/dbraw/zinc/47/11/97/370471197.db2.gz JDSVRJICTNPJPS-PHIMTYICSA-N 2 2 218.304 0.436 20 0 BCADLP CCn1cc(CC[N@@H+]2CC[C@H]([NH3+])C2)cn1 ZINC000621774364 370520266 /nfs/dbraw/zinc/52/02/66/370520266.db2.gz ROLVIGVUQRWANC-NSHDSACASA-N 2 2 208.309 0.479 20 0 BCADLP CCn1cc(CC[N@H+]2CC[C@H]([NH3+])C2)cn1 ZINC000621774364 370520272 /nfs/dbraw/zinc/52/02/72/370520272.db2.gz ROLVIGVUQRWANC-NSHDSACASA-N 2 2 208.309 0.479 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621784282 370536462 /nfs/dbraw/zinc/53/64/62/370536462.db2.gz MIQWJCCXXYPRSP-SCVCMEIPSA-N 2 2 225.336 0.276 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621784282 370536464 /nfs/dbraw/zinc/53/64/64/370536464.db2.gz MIQWJCCXXYPRSP-SCVCMEIPSA-N 2 2 225.336 0.276 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CC(=O)N1CCCC1)C2 ZINC000621784416 370536561 /nfs/dbraw/zinc/53/65/61/370536561.db2.gz ONMSBMQZPGHZEJ-YPMHNXCESA-N 2 2 237.347 0.422 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CC(=O)N1CCCC1)C2 ZINC000621784416 370536565 /nfs/dbraw/zinc/53/65/65/370536565.db2.gz ONMSBMQZPGHZEJ-YPMHNXCESA-N 2 2 237.347 0.422 20 0 BCADLP [NH3+][C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCCC1)C2 ZINC000621784413 370536574 /nfs/dbraw/zinc/53/65/74/370536574.db2.gz ONMSBMQZPGHZEJ-AAEUAGOBSA-N 2 2 237.347 0.422 20 0 BCADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCCC1)C2 ZINC000621784413 370536577 /nfs/dbraw/zinc/53/65/77/370536577.db2.gz ONMSBMQZPGHZEJ-AAEUAGOBSA-N 2 2 237.347 0.422 20 0 BCADLP Cc1cc(C[N@H+](C)C[C@@H](O)C[NH3+])ccn1 ZINC000621776512 370524177 /nfs/dbraw/zinc/52/41/77/370524177.db2.gz NLLBITBXCGMPFA-NSHDSACASA-N 2 2 209.293 0.141 20 0 BCADLP Cc1cc(C[N@@H+](C)C[C@@H](O)C[NH3+])ccn1 ZINC000621776512 370524179 /nfs/dbraw/zinc/52/41/79/370524179.db2.gz NLLBITBXCGMPFA-NSHDSACASA-N 2 2 209.293 0.141 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000621777302 370525428 /nfs/dbraw/zinc/52/54/28/370525428.db2.gz ABNXYQHTMGUWHA-XQQFMLRXSA-N 3 2 223.364 0.799 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000621777302 370525430 /nfs/dbraw/zinc/52/54/30/370525430.db2.gz ABNXYQHTMGUWHA-XQQFMLRXSA-N 3 2 223.364 0.799 20 0 BCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621780979 370528927 /nfs/dbraw/zinc/52/89/27/370528927.db2.gz YBCQZTBKAAXAFQ-GMXVVIOVSA-N 2 2 239.363 0.714 20 0 BCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621780979 370528932 /nfs/dbraw/zinc/52/89/32/370528932.db2.gz YBCQZTBKAAXAFQ-GMXVVIOVSA-N 2 2 239.363 0.714 20 0 BCADLP Cn1c[nH+]cc1CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621782832 370529785 /nfs/dbraw/zinc/52/97/85/370529785.db2.gz SXWOLRDIAZHYSP-JQWIXIFHSA-N 2 2 220.320 0.733 20 0 BCADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCN1CCOCC1)C2 ZINC000621782987 370532061 /nfs/dbraw/zinc/53/20/61/370532061.db2.gz VNLFTLNSESHFRU-CHWSQXEVSA-N 2 2 239.363 0.132 20 0 BCADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCN1CCOCC1)C2 ZINC000621782987 370532065 /nfs/dbraw/zinc/53/20/65/370532065.db2.gz VNLFTLNSESHFRU-CHWSQXEVSA-N 2 2 239.363 0.132 20 0 BCADLP [NH3+][C@@]12CCC[C@@H]1CN(CC[NH+]1CCOCC1)C2 ZINC000621782987 370532070 /nfs/dbraw/zinc/53/20/70/370532070.db2.gz VNLFTLNSESHFRU-CHWSQXEVSA-N 2 2 239.363 0.132 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621782350 370532574 /nfs/dbraw/zinc/53/25/74/370532574.db2.gz PDRBVRZRFNZBCT-WCQYABFASA-N 2 2 239.363 0.668 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621782350 370532577 /nfs/dbraw/zinc/53/25/77/370532577.db2.gz PDRBVRZRFNZBCT-WCQYABFASA-N 2 2 239.363 0.668 20 0 BCADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631051297 371115484 /nfs/dbraw/zinc/11/54/84/371115484.db2.gz DGJMBNKTMCSZGQ-NSHDSACASA-N 2 2 221.304 0.971 20 0 BCADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631051297 371115491 /nfs/dbraw/zinc/11/54/91/371115491.db2.gz DGJMBNKTMCSZGQ-NSHDSACASA-N 2 2 221.304 0.971 20 0 BCADLP C[N@@H+](Cc1ccccc1C#N)C[C@H](O)C[NH3+] ZINC000390165303 371190217 /nfs/dbraw/zinc/19/02/17/371190217.db2.gz DVUWEYJBTVIMTG-GFCCVEGCSA-N 2 2 219.288 0.310 20 0 BCADLP C[N@H+](Cc1ccccc1C#N)C[C@H](O)C[NH3+] ZINC000390165303 371190219 /nfs/dbraw/zinc/19/02/19/371190219.db2.gz DVUWEYJBTVIMTG-GFCCVEGCSA-N 2 2 219.288 0.310 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000624219634 371408889 /nfs/dbraw/zinc/40/88/89/371408889.db2.gz ZYAPDPUHENGLGW-YRRQLQLVSA-N 2 2 224.348 0.830 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000624219634 371408892 /nfs/dbraw/zinc/40/88/92/371408892.db2.gz ZYAPDPUHENGLGW-YRRQLQLVSA-N 2 2 224.348 0.830 20 0 BCADLP CC(C)[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624226554 371413292 /nfs/dbraw/zinc/41/32/92/371413292.db2.gz UFCZJRKROALZAV-WDEREUQCSA-N 2 2 200.326 0.687 20 0 BCADLP CC(C)[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624226554 371413297 /nfs/dbraw/zinc/41/32/97/371413297.db2.gz UFCZJRKROALZAV-WDEREUQCSA-N 2 2 200.326 0.687 20 0 BCADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCOC1 ZINC000624228590 371416549 /nfs/dbraw/zinc/41/65/49/371416549.db2.gz WGELKLYGHXEOJL-QJPTWQEYSA-N 2 2 228.336 0.068 20 0 BCADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)[C@@H]1CCOC1 ZINC000624228590 371416552 /nfs/dbraw/zinc/41/65/52/371416552.db2.gz WGELKLYGHXEOJL-QJPTWQEYSA-N 2 2 228.336 0.068 20 0 BCADLP COCCC[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624228570 371416567 /nfs/dbraw/zinc/41/65/67/371416567.db2.gz VXAHTGSBHLIZCQ-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP COCCC[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624228570 371416570 /nfs/dbraw/zinc/41/65/70/371416570.db2.gz VXAHTGSBHLIZCQ-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP C[C@@H](Cc1ccoc1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624339314 371488085 /nfs/dbraw/zinc/48/80/85/371488085.db2.gz OBVHOEFKVAMYFW-AAEUAGOBSA-N 2 2 238.331 0.867 20 0 BCADLP C[C@@H](Cc1ccoc1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624339314 371488093 /nfs/dbraw/zinc/48/80/93/371488093.db2.gz OBVHOEFKVAMYFW-AAEUAGOBSA-N 2 2 238.331 0.867 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)[C@@H]1C ZINC000624339033 371488185 /nfs/dbraw/zinc/48/81/85/371488185.db2.gz KJVMSAIIEUSWEK-WYUUTHIRSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)[C@@H]1C ZINC000624339033 371488189 /nfs/dbraw/zinc/48/81/89/371488189.db2.gz KJVMSAIIEUSWEK-WYUUTHIRSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000624272839 371454479 /nfs/dbraw/zinc/45/44/79/371454479.db2.gz RDVOHWMEKHOVSO-MNOVXSKESA-N 2 2 223.324 0.350 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000624272839 371454482 /nfs/dbraw/zinc/45/44/82/371454482.db2.gz RDVOHWMEKHOVSO-MNOVXSKESA-N 2 2 223.324 0.350 20 0 BCADLP C[C@@H](C(=O)N1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000627369430 371587392 /nfs/dbraw/zinc/58/73/92/371587392.db2.gz SRGBFFDDQUTHBN-QMMMGPOBSA-N 2 2 222.292 0.245 20 0 BCADLP C[C@@H](C(=O)N1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000627369430 371587398 /nfs/dbraw/zinc/58/73/98/371587398.db2.gz SRGBFFDDQUTHBN-QMMMGPOBSA-N 2 2 222.292 0.245 20 0 BCADLP CCOC(=O)[C@H](CC)[N@H+](C)CCC[NH3+] ZINC000227748307 371928868 /nfs/dbraw/zinc/92/88/68/371928868.db2.gz GFDRAYHQPDROOD-VIFPVBQESA-N 2 2 202.298 0.609 20 0 BCADLP CCOC(=O)[C@H](CC)[N@@H+](C)CCC[NH3+] ZINC000227748307 371928874 /nfs/dbraw/zinc/92/88/74/371928874.db2.gz GFDRAYHQPDROOD-VIFPVBQESA-N 2 2 202.298 0.609 20 0 BCADLP O[C@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000631251047 372260137 /nfs/dbraw/zinc/26/01/37/372260137.db2.gz GJAOXJWTQKTARR-QWRGUYRKSA-N 2 2 221.304 0.832 20 0 BCADLP c1nc2n(n1)[C@@H](C[N@H+](C1CC1)[C@@H]1CC[NH2+]C1)CC2 ZINC000631822795 372600367 /nfs/dbraw/zinc/60/03/67/372600367.db2.gz OPHCZJDRCZEVRT-VXGBXAGGSA-N 2 2 247.346 0.592 20 0 BCADLP c1nc2n(n1)[C@@H](C[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1)CC2 ZINC000631822795 372600373 /nfs/dbraw/zinc/60/03/73/372600373.db2.gz OPHCZJDRCZEVRT-VXGBXAGGSA-N 2 2 247.346 0.592 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCN1CCCC1=O ZINC000631858936 372658474 /nfs/dbraw/zinc/65/84/74/372658474.db2.gz GNXFGGKEQUDYIC-NXEZZACHSA-N 2 2 211.309 0.030 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCN1CCCC1=O ZINC000631858936 372658475 /nfs/dbraw/zinc/65/84/75/372658475.db2.gz GNXFGGKEQUDYIC-NXEZZACHSA-N 2 2 211.309 0.030 20 0 BCADLP C[C@@H]1C[N@H+](Cc2nc(C3CC3)nn2C)C[C@H]1C[NH3+] ZINC000631836634 372625895 /nfs/dbraw/zinc/62/58/95/372625895.db2.gz CWQPGLADZUAUHW-MWLCHTKSSA-N 2 2 249.362 0.719 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2nc(C3CC3)nn2C)C[C@H]1C[NH3+] ZINC000631836634 372625897 /nfs/dbraw/zinc/62/58/97/372625897.db2.gz CWQPGLADZUAUHW-MWLCHTKSSA-N 2 2 249.362 0.719 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC000631860256 372659226 /nfs/dbraw/zinc/65/92/26/372659226.db2.gz WKUHZFIZYPAAGP-MWLCHTKSSA-N 2 2 221.304 0.307 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1Cc1ccn(C)c(=O)c1 ZINC000631860256 372659237 /nfs/dbraw/zinc/65/92/37/372659237.db2.gz WKUHZFIZYPAAGP-MWLCHTKSSA-N 2 2 221.304 0.307 20 0 BCADLP C[N@H+](CC(=O)Nc1ccccn1)C1CC([NH3+])C1 ZINC000631826892 372605538 /nfs/dbraw/zinc/60/55/38/372605538.db2.gz ZEOFKJPHNQOOQB-UHFFFAOYSA-N 2 2 234.303 0.442 20 0 BCADLP C[N@@H+](CC(=O)Nc1ccccn1)C1CC([NH3+])C1 ZINC000631826892 372605544 /nfs/dbraw/zinc/60/55/44/372605544.db2.gz ZEOFKJPHNQOOQB-UHFFFAOYSA-N 2 2 234.303 0.442 20 0 BCADLP c1nc2n(n1)[C@H](C[N@@H+]1CC[C@@H]3[NH2+]CC[C@H]3C1)CC2 ZINC000631826744 372605927 /nfs/dbraw/zinc/60/59/27/372605927.db2.gz WGRKIQATHJYKAF-SRVKXCTJSA-N 2 2 247.346 0.449 20 0 BCADLP c1nc2n(n1)[C@H](C[N@H+]1CC[C@@H]3[NH2+]CC[C@H]3C1)CC2 ZINC000631826744 372605932 /nfs/dbraw/zinc/60/59/32/372605932.db2.gz WGRKIQATHJYKAF-SRVKXCTJSA-N 2 2 247.346 0.449 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCC(=O)Nc1cccnc1 ZINC000631861012 372661661 /nfs/dbraw/zinc/66/16/61/372661661.db2.gz UANPXPHBRSCIJR-MNOVXSKESA-N 2 2 248.330 0.832 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCC(=O)Nc1cccnc1 ZINC000631861012 372661666 /nfs/dbraw/zinc/66/16/66/372661666.db2.gz UANPXPHBRSCIJR-MNOVXSKESA-N 2 2 248.330 0.832 20 0 BCADLP COC[C@H](C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C)OC ZINC000631861897 372663618 /nfs/dbraw/zinc/66/36/18/372663618.db2.gz JSGBVFSJIXACOQ-AEJSXWLSSA-N 2 2 202.298 0.069 20 0 BCADLP COC[C@H](C[N@H+]1C[C@H]([NH3+])C[C@@H]1C)OC ZINC000631861897 372663619 /nfs/dbraw/zinc/66/36/19/372663619.db2.gz JSGBVFSJIXACOQ-AEJSXWLSSA-N 2 2 202.298 0.069 20 0 BCADLP OCC[NH2+]C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000631862934 372664976 /nfs/dbraw/zinc/66/49/76/372664976.db2.gz VQUMMFKFKLLWSV-LBPRGKRZSA-N 3 2 241.379 0.032 20 0 BCADLP CC1(F)CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631866935 372668491 /nfs/dbraw/zinc/66/84/91/372668491.db2.gz DLCKYRQHSSRGFY-JTQLQIEISA-N 2 2 216.300 0.799 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000375935229 181950544 /nfs/dbraw/zinc/95/05/44/181950544.db2.gz VEORQNLHONWFNW-VXGBXAGGSA-N 2 2 248.330 0.484 20 0 BCADLP CCNC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631889423 372684117 /nfs/dbraw/zinc/68/41/17/372684117.db2.gz JJWHWBKOCRAQJA-MNOVXSKESA-N 2 2 225.336 0.196 20 0 BCADLP CCNC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631889423 372684126 /nfs/dbraw/zinc/68/41/26/372684126.db2.gz JJWHWBKOCRAQJA-MNOVXSKESA-N 2 2 225.336 0.196 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000632927022 373224376 /nfs/dbraw/zinc/22/43/76/373224376.db2.gz ICWGTSGXGBNGKZ-VHSXEESVSA-N 2 2 234.303 0.765 20 0 BCADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000040673133 373593204 /nfs/dbraw/zinc/59/32/04/373593204.db2.gz AQADPJIXIVSHEE-ZDUSSCGKSA-N 2 2 247.342 0.969 20 0 BCADLP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000040673133 373593212 /nfs/dbraw/zinc/59/32/12/373593212.db2.gz AQADPJIXIVSHEE-ZDUSSCGKSA-N 2 2 247.342 0.969 20 0 BCADLP O=C(NCCCn1cc[nH+]c1)[C@H]1CCC[NH2+]C1 ZINC000020506389 182178743 /nfs/dbraw/zinc/17/87/43/182178743.db2.gz TXAOLMBOZTZWMA-NSHDSACASA-N 2 2 236.319 0.389 20 0 BCADLP O=C(NCCCn1cc[nH+]c1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364149547 182179210 /nfs/dbraw/zinc/17/92/10/182179210.db2.gz ZWMXZHXKCXXBGN-DGCLKSJQSA-N 2 2 248.330 0.389 20 0 BCADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1CCC[NH2+]1 ZINC000020363012 182176693 /nfs/dbraw/zinc/17/66/93/182176693.db2.gz PFJJFMVWYRDXNE-JTQLQIEISA-N 2 2 222.292 0.141 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000124121186 182274084 /nfs/dbraw/zinc/27/40/84/182274084.db2.gz BWAURJRQGTTXKF-GFCCVEGCSA-N 2 2 248.330 0.900 20 0 BCADLP O=C(NCc1cn2c([nH+]1)CCCC2)[C@H]1CCC[NH2+]1 ZINC000083935041 182269061 /nfs/dbraw/zinc/26/90/61/182269061.db2.gz GDHQSUQRMWSPND-LLVKDONJSA-N 2 2 248.330 0.588 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(N)=O)C[C@H]1C ZINC000354225656 170018158 /nfs/dbraw/zinc/01/81/58/170018158.db2.gz SMEDKQXWJASUSU-ZJUUUORDSA-N 2 2 213.325 0.276 20 0 BCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(N)=O)C[C@H]1C ZINC000354225656 170018159 /nfs/dbraw/zinc/01/81/59/170018159.db2.gz SMEDKQXWJASUSU-ZJUUUORDSA-N 2 2 213.325 0.276 20 0 BCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(N)=O)C[C@H]1C ZINC000354225656 170018160 /nfs/dbraw/zinc/01/81/60/170018160.db2.gz SMEDKQXWJASUSU-ZJUUUORDSA-N 2 2 213.325 0.276 20 0 BCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(N)=O)C[C@H]1C ZINC000354225656 170018162 /nfs/dbraw/zinc/01/81/62/170018162.db2.gz SMEDKQXWJASUSU-ZJUUUORDSA-N 2 2 213.325 0.276 20 0 BCADLP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449392341 206096417 /nfs/dbraw/zinc/09/64/17/206096417.db2.gz JWHGTSQQLYXULC-AVGNSLFASA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449392341 206096421 /nfs/dbraw/zinc/09/64/21/206096421.db2.gz JWHGTSQQLYXULC-AVGNSLFASA-N 2 2 242.363 0.600 20 0 BCADLP C[C@H]1CN(CC[NH2+]C(C)(C)C[NH+](C)C)CCO1 ZINC000459545782 206133394 /nfs/dbraw/zinc/13/33/94/206133394.db2.gz HDPBDVVTXKCDSI-LBPRGKRZSA-N 2 2 243.395 0.637 20 0 BCADLP CCOC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531223 170219132 /nfs/dbraw/zinc/21/91/32/170219132.db2.gz WJFLADBWBDOYKA-SECBINFHSA-N 2 2 200.282 0.220 20 0 BCADLP CCOC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531223 170219133 /nfs/dbraw/zinc/21/91/33/170219133.db2.gz WJFLADBWBDOYKA-SECBINFHSA-N 2 2 200.282 0.220 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246164383 535449555 /nfs/dbraw/zinc/44/95/55/535449555.db2.gz OTGRPABLCJZRAA-QWRGUYRKSA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246164383 535449559 /nfs/dbraw/zinc/44/95/59/535449559.db2.gz OTGRPABLCJZRAA-QWRGUYRKSA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@@H](C(N)=O)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246164383 535449560 /nfs/dbraw/zinc/44/95/60/535449560.db2.gz OTGRPABLCJZRAA-QWRGUYRKSA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@@H](C(N)=O)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246164383 535449566 /nfs/dbraw/zinc/44/95/66/535449566.db2.gz OTGRPABLCJZRAA-QWRGUYRKSA-N 2 2 227.352 0.524 20 0 BCADLP OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000364325492 183129154 /nfs/dbraw/zinc/12/91/54/183129154.db2.gz QCRDCDNXVASKPZ-NWDGAFQWSA-N 2 2 247.298 0.262 20 0 BCADLP OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000364325492 183129156 /nfs/dbraw/zinc/12/91/56/183129156.db2.gz QCRDCDNXVASKPZ-NWDGAFQWSA-N 2 2 247.298 0.262 20 0 BCADLP OC[C@H]1CC[C@H](CO)[NH+]1CCCn1cc[nH+]c1 ZINC000287455029 183153442 /nfs/dbraw/zinc/15/34/42/183153442.db2.gz QXRHNAMCTITYFB-VXGBXAGGSA-N 2 2 239.319 0.091 20 0 BCADLP CCC[N@H+](C)CC(=O)NCc1[nH+]ccn1C ZINC000359265164 169073566 /nfs/dbraw/zinc/07/35/66/169073566.db2.gz QQZHJLLODVINRP-UHFFFAOYSA-N 2 2 224.308 0.378 20 0 BCADLP CCC[N@@H+](C)CC(=O)NCc1[nH+]ccn1C ZINC000359265164 169073569 /nfs/dbraw/zinc/07/35/69/169073569.db2.gz QQZHJLLODVINRP-UHFFFAOYSA-N 2 2 224.308 0.378 20 0 BCADLP CCCN(CC[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000071332056 169160085 /nfs/dbraw/zinc/16/00/85/169160085.db2.gz WJCKZKFIBPMTFY-ZDUSSCGKSA-N 2 2 241.379 0.393 20 0 BCADLP CCC[NH+]1CCN(Cc2c[nH+]cn2C)CC1 ZINC000176999450 169202482 /nfs/dbraw/zinc/20/24/82/169202482.db2.gz USYXEKREGHWMDV-UHFFFAOYSA-N 2 2 222.336 0.948 20 0 BCADLP c1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)on1 ZINC000335913530 183347479 /nfs/dbraw/zinc/34/74/79/183347479.db2.gz GPYCOOKOJWBJDL-KOLCDFICSA-N 2 2 207.277 0.858 20 0 BCADLP c1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)on1 ZINC000335913530 183347481 /nfs/dbraw/zinc/34/74/81/183347481.db2.gz GPYCOOKOJWBJDL-KOLCDFICSA-N 2 2 207.277 0.858 20 0 BCADLP CCCNC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000036300927 169217982 /nfs/dbraw/zinc/21/79/82/169217982.db2.gz FFQMTZBHGYBJFT-UHFFFAOYSA-N 2 2 213.325 0.196 20 0 BCADLP CCCNC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000036300927 169217984 /nfs/dbraw/zinc/21/79/84/169217984.db2.gz FFQMTZBHGYBJFT-UHFFFAOYSA-N 2 2 213.325 0.196 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227071560 169222072 /nfs/dbraw/zinc/22/20/72/169222072.db2.gz VKUABSKEZAGRPK-UWVGGRQHSA-N 2 2 213.325 0.182 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227071560 169222074 /nfs/dbraw/zinc/22/20/74/169222074.db2.gz VKUABSKEZAGRPK-UWVGGRQHSA-N 2 2 213.325 0.182 20 0 BCADLP CCC[C@@H](C(=O)NCc1[nH]cc[nH+]1)[NH+](C)C ZINC000162102776 169345421 /nfs/dbraw/zinc/34/54/21/169345421.db2.gz QRLBSRYKGLOPQE-VIFPVBQESA-N 2 2 224.308 0.756 20 0 BCADLP CCC[C@@H]([NH3+])C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000236958113 169389621 /nfs/dbraw/zinc/38/96/21/169389621.db2.gz OHNLHASXLILODF-WDEREUQCSA-N 2 2 238.335 0.763 20 0 BCADLP CC(C)[C@H](NC(=O)CCC[NH3+])c1[nH]cc[nH+]1 ZINC000566193701 383824736 /nfs/dbraw/zinc/82/47/36/383824736.db2.gz IWZIFPMGEPIRHL-JTQLQIEISA-N 2 2 224.308 0.962 20 0 BCADLP COC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000069627110 383834161 /nfs/dbraw/zinc/83/41/61/383834161.db2.gz XRQCKMKAKUPBFM-DTWKUNHWSA-N 2 2 200.282 0.219 20 0 BCADLP COC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000069627110 383834165 /nfs/dbraw/zinc/83/41/65/383834165.db2.gz XRQCKMKAKUPBFM-DTWKUNHWSA-N 2 2 200.282 0.219 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000069626992 383834841 /nfs/dbraw/zinc/83/48/41/383834841.db2.gz VGUNYJDQKMCDLX-LPEHRKFASA-N 2 2 214.309 0.607 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000069626992 383834848 /nfs/dbraw/zinc/83/48/48/383834848.db2.gz VGUNYJDQKMCDLX-LPEHRKFASA-N 2 2 214.309 0.607 20 0 BCADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCCc1c[nH+]cn1C ZINC000315044128 383924792 /nfs/dbraw/zinc/92/47/92/383924792.db2.gz XWFREJXTRLVAHX-QWRGUYRKSA-N 3 2 222.336 0.774 20 0 BCADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCCc1c[nH+]cn1C ZINC000315044128 383924796 /nfs/dbraw/zinc/92/47/96/383924796.db2.gz XWFREJXTRLVAHX-QWRGUYRKSA-N 3 2 222.336 0.774 20 0 BCADLP CC[C@H]([NH3+])C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000037027615 383930495 /nfs/dbraw/zinc/93/04/95/383930495.db2.gz WGXWYLQWKGDSAK-JTQLQIEISA-N 2 2 245.286 0.943 20 0 BCADLP Cc1noc(C)c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088287672 383891711 /nfs/dbraw/zinc/89/17/11/383891711.db2.gz UNBNMHQFDAVMGH-GHMZBOCLSA-N 2 2 221.304 0.943 20 0 BCADLP [NH3+]C[C@H]1CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000089090923 383933921 /nfs/dbraw/zinc/93/39/21/383933921.db2.gz RFOGVXOAQIBNRV-GHMZBOCLSA-N 2 2 236.319 0.517 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)CO1 ZINC000647214230 383979056 /nfs/dbraw/zinc/97/90/56/383979056.db2.gz SXDJDFYMQLLRIL-AGIUHOORSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)CO1 ZINC000647214230 383979062 /nfs/dbraw/zinc/97/90/62/383979062.db2.gz SXDJDFYMQLLRIL-AGIUHOORSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)CO1 ZINC000647214233 383979324 /nfs/dbraw/zinc/97/93/24/383979324.db2.gz SXDJDFYMQLLRIL-UPJWGTAASA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)CO1 ZINC000647214233 383979331 /nfs/dbraw/zinc/97/93/31/383979331.db2.gz SXDJDFYMQLLRIL-UPJWGTAASA-N 2 2 242.363 0.600 20 0 BCADLP [NH3+][C@@H]1CCN(Cc2c[nH+]c3ccccn23)C1 ZINC000089201022 383944206 /nfs/dbraw/zinc/94/42/06/383944206.db2.gz MZVHODRCSLZPPI-SNVBAGLBSA-N 2 2 216.288 0.867 20 0 BCADLP C[C@@]1(C(=O)NCc2[nH]cc[nH+]2)CC[NH2+]C1 ZINC000070646672 383947124 /nfs/dbraw/zinc/94/71/24/383947124.db2.gz BVDFGDCQXMXTCL-SNVBAGLBSA-N 2 2 208.265 0.026 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1CCC1(C)C)C1CC1 ZINC000558460077 384021504 /nfs/dbraw/zinc/02/15/04/384021504.db2.gz WXJRZJHGJCENIO-NSHDSACASA-N 2 2 212.337 0.926 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC1(C)C)C1CC1 ZINC000558460077 384021513 /nfs/dbraw/zinc/02/15/13/384021513.db2.gz WXJRZJHGJCENIO-NSHDSACASA-N 2 2 212.337 0.926 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC1(C)C)C1CC1 ZINC000558460077 384021520 /nfs/dbraw/zinc/02/15/20/384021520.db2.gz WXJRZJHGJCENIO-NSHDSACASA-N 2 2 212.337 0.926 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+]1CCC1(C)C)C1CC1 ZINC000558460077 384021524 /nfs/dbraw/zinc/02/15/24/384021524.db2.gz WXJRZJHGJCENIO-NSHDSACASA-N 2 2 212.337 0.926 20 0 BCADLP Cc1cc(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)[nH]n1 ZINC000644902349 384035211 /nfs/dbraw/zinc/03/52/11/384035211.db2.gz VPRZNVWBZHAQKB-UHFFFAOYSA-N 2 2 248.334 0.807 20 0 BCADLP C[C@@H](C(=O)N(C)CCCn1cc[nH+]c1)[C@H](C)[NH3+] ZINC000565479331 384097381 /nfs/dbraw/zinc/09/73/81/384097381.db2.gz VPSLXOZDLRUURY-MNOVXSKESA-N 2 2 238.335 0.715 20 0 BCADLP C[NH2+][C@@H](C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000569472927 384099575 /nfs/dbraw/zinc/09/95/75/384099575.db2.gz SVSSJEGAWJGKPG-VIFPVBQESA-N 2 2 232.287 0.558 20 0 BCADLP C[NH2+]CCC[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000569487122 384111108 /nfs/dbraw/zinc/11/11/08/384111108.db2.gz CCIOYXVRGMJSAL-UHFFFAOYSA-N 2 2 239.323 0.299 20 0 BCADLP C[NH+](C)C1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000336553038 384115530 /nfs/dbraw/zinc/11/55/30/384115530.db2.gz NCMBEHZNYKKLMH-NSHDSACASA-N 2 2 225.336 0.291 20 0 BCADLP C[C@@]1(C(=O)NCc2[nH]cc[nH+]2)CCC[NH2+]C1 ZINC000070646734 384128364 /nfs/dbraw/zinc/12/83/64/384128364.db2.gz KJJTUEFSFARWTE-LLVKDONJSA-N 2 2 222.292 0.416 20 0 BCADLP CC[C@@H](COC)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449389712 384151509 /nfs/dbraw/zinc/15/15/09/384151509.db2.gz DROPWOBNEMJVAO-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP CC[C@@H](COC)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449389712 384151515 /nfs/dbraw/zinc/15/15/15/384151515.db2.gz DROPWOBNEMJVAO-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000071276079 384159249 /nfs/dbraw/zinc/15/92/49/384159249.db2.gz FUPMSKOQUFXGQE-LBPRGKRZSA-N 2 2 236.319 0.426 20 0 BCADLP COC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449397732 384175997 /nfs/dbraw/zinc/17/59/97/384175997.db2.gz VYROPXMPTSAOPR-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP COC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449397732 384176000 /nfs/dbraw/zinc/17/60/00/384176000.db2.gz VYROPXMPTSAOPR-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCOC1 ZINC000449395769 384167202 /nfs/dbraw/zinc/16/72/02/384167202.db2.gz QVAOCTOPAMUJOD-NEPJUHHUSA-N 2 2 228.336 0.212 20 0 BCADLP OCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCOC1 ZINC000449395769 384167204 /nfs/dbraw/zinc/16/72/04/384167204.db2.gz QVAOCTOPAMUJOD-NEPJUHHUSA-N 2 2 228.336 0.212 20 0 BCADLP C[NH+](C)CCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000041287825 384185359 /nfs/dbraw/zinc/18/53/59/384185359.db2.gz JLLSBOHQVPGKIW-UHFFFAOYSA-N 2 2 246.314 0.555 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221296789 384200820 /nfs/dbraw/zinc/20/08/20/384200820.db2.gz BKOAZKZVKYEDJN-MNOVXSKESA-N 2 2 227.352 0.442 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221296789 384200826 /nfs/dbraw/zinc/20/08/26/384200826.db2.gz BKOAZKZVKYEDJN-MNOVXSKESA-N 2 2 227.352 0.442 20 0 BCADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)CS(C)(=O)=O ZINC000081900909 384211665 /nfs/dbraw/zinc/21/16/65/384211665.db2.gz FBOMVVZNLZZLBQ-NXEZZACHSA-N 2 2 236.381 0.349 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CCCCNC1=O)[C@H]1CCC[NH2+]1 ZINC000333258117 384258730 /nfs/dbraw/zinc/25/87/30/384258730.db2.gz IJAROIIXPXHEOG-GMTAPVOTSA-N 2 2 225.336 0.385 20 0 BCADLP Cn1ncnc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228473474 384258785 /nfs/dbraw/zinc/25/87/85/384258785.db2.gz NQEFFVWWGCAVSM-HBNTYKKESA-N 2 2 235.335 0.374 20 0 BCADLP Cn1ncnc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228473474 384258793 /nfs/dbraw/zinc/25/87/93/384258793.db2.gz NQEFFVWWGCAVSM-HBNTYKKESA-N 2 2 235.335 0.374 20 0 BCADLP C[C@H](C[NH3+])CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000237538591 384273829 /nfs/dbraw/zinc/27/38/29/384273829.db2.gz UQMVQDRLVVZVJU-SNVBAGLBSA-N 2 2 246.314 0.588 20 0 BCADLP Cn1nncc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352546304 384306169 /nfs/dbraw/zinc/30/61/69/384306169.db2.gz SRDXPIIZXIRUAW-SNVBAGLBSA-N 2 2 223.324 0.518 20 0 BCADLP Cn1nncc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352546304 384306174 /nfs/dbraw/zinc/30/61/74/384306174.db2.gz SRDXPIIZXIRUAW-SNVBAGLBSA-N 2 2 223.324 0.518 20 0 BCADLP COCC(C)(C)C[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647507515 384310032 /nfs/dbraw/zinc/31/00/32/384310032.db2.gz RFFQLRXIEDJQFH-WDEREUQCSA-N 2 2 230.352 0.707 20 0 BCADLP COCC(C)(C)C[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647507515 384310040 /nfs/dbraw/zinc/31/00/40/384310040.db2.gz RFFQLRXIEDJQFH-WDEREUQCSA-N 2 2 230.352 0.707 20 0 BCADLP COCC(C)(C)C[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647507513 384312225 /nfs/dbraw/zinc/31/22/25/384312225.db2.gz RFFQLRXIEDJQFH-MNOVXSKESA-N 2 2 230.352 0.707 20 0 BCADLP COCC(C)(C)C[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647507513 384312230 /nfs/dbraw/zinc/31/22/30/384312230.db2.gz RFFQLRXIEDJQFH-MNOVXSKESA-N 2 2 230.352 0.707 20 0 BCADLP COC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000119634822 384292302 /nfs/dbraw/zinc/29/23/02/384292302.db2.gz VEBXOUHCPLRKRE-UHFFFAOYSA-N 2 2 223.276 0.693 20 0 BCADLP Cn1cnnc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000536321383 384303827 /nfs/dbraw/zinc/30/38/27/384303827.db2.gz VCWNROHDVODIQZ-UHFFFAOYSA-N 2 2 237.351 0.589 20 0 BCADLP Cc1cc(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc(C)[nH+]1 ZINC000648179480 384337276 /nfs/dbraw/zinc/33/72/76/384337276.db2.gz YUTVVGKXWOUTJU-ITGUQSILSA-N 2 2 245.326 0.780 20 0 BCADLP C[C@@H](NC[C@@]1(O)CC[N@H+](C)C1)c1[nH]cc[nH+]1 ZINC000330364052 384363016 /nfs/dbraw/zinc/36/30/16/384363016.db2.gz COYIDTUTTJATSV-KOLCDFICSA-N 2 2 224.308 0.127 20 0 BCADLP C[C@@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1[nH]cc[nH+]1 ZINC000330364052 384363019 /nfs/dbraw/zinc/36/30/19/384363019.db2.gz COYIDTUTTJATSV-KOLCDFICSA-N 2 2 224.308 0.127 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccnn1C ZINC000335644676 384414607 /nfs/dbraw/zinc/41/46/07/384414607.db2.gz XGLPJDDITVWYLD-GXSJLCMTSA-N 2 2 208.309 0.650 20 0 BCADLP c1cc(C[NH2+]CCCn2cc[nH+]c2)n[nH]1 ZINC000036900296 384462750 /nfs/dbraw/zinc/46/27/50/384462750.db2.gz ZQEWZSIIDVXZLJ-UHFFFAOYSA-N 2 2 205.265 0.786 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150782917 384506800 /nfs/dbraw/zinc/50/68/00/384506800.db2.gz CHSHSWHZWCEHKX-LBPRGKRZSA-N 2 2 239.363 0.492 20 0 BCADLP CN(C)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150782917 384506804 /nfs/dbraw/zinc/50/68/04/384506804.db2.gz CHSHSWHZWCEHKX-LBPRGKRZSA-N 2 2 239.363 0.492 20 0 BCADLP C[NH+](C)[C@@H]1CCCN(CCn2cc[nH+]c2)C1 ZINC000161772092 384525661 /nfs/dbraw/zinc/52/56/61/384525661.db2.gz KOALWBDZJXXSJX-GFCCVEGCSA-N 2 2 222.336 0.909 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@@H](C[NH+](C)C)C1 ZINC000172196002 384547478 /nfs/dbraw/zinc/54/74/78/384547478.db2.gz LYCZKAJDCVYXMH-NSHDSACASA-N 2 2 222.336 0.804 20 0 BCADLP FC(F)COCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428032301 384555427 /nfs/dbraw/zinc/55/54/27/384555427.db2.gz JOPIHCABQUTRIC-VHSXEESVSA-N 2 2 234.290 0.952 20 0 BCADLP FC(F)COCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428032301 384555440 /nfs/dbraw/zinc/55/54/40/384555440.db2.gz JOPIHCABQUTRIC-VHSXEESVSA-N 2 2 234.290 0.952 20 0 BCADLP FC(F)COCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428032302 384555604 /nfs/dbraw/zinc/55/56/04/384555604.db2.gz JOPIHCABQUTRIC-ZJUUUORDSA-N 2 2 234.290 0.952 20 0 BCADLP FC(F)COCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428032302 384555607 /nfs/dbraw/zinc/55/56/07/384555607.db2.gz JOPIHCABQUTRIC-ZJUUUORDSA-N 2 2 234.290 0.952 20 0 BCADLP C[NH2+]CCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000151220203 384560522 /nfs/dbraw/zinc/56/05/22/384560522.db2.gz HUXKTIJMVPBVKV-UHFFFAOYSA-N 2 2 232.287 0.212 20 0 BCADLP Cc1nc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)nc(N)[nH+]1 ZINC000306113284 384573209 /nfs/dbraw/zinc/57/32/09/384573209.db2.gz VDUQQTWJWSPLDL-UWVGGRQHSA-N 2 2 248.334 0.801 20 0 BCADLP Cc1nc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)nc(N)[nH+]1 ZINC000306113284 384573218 /nfs/dbraw/zinc/57/32/18/384573218.db2.gz VDUQQTWJWSPLDL-UWVGGRQHSA-N 2 2 248.334 0.801 20 0 BCADLP Cc1nc(N)nc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)[nH+]1 ZINC000306113284 384573223 /nfs/dbraw/zinc/57/32/23/384573223.db2.gz VDUQQTWJWSPLDL-UWVGGRQHSA-N 2 2 248.334 0.801 20 0 BCADLP Cc1nc(N)nc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)[nH+]1 ZINC000306113284 384573230 /nfs/dbraw/zinc/57/32/30/384573230.db2.gz VDUQQTWJWSPLDL-UWVGGRQHSA-N 2 2 248.334 0.801 20 0 BCADLP OC[C@H]1CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000293019382 384577270 /nfs/dbraw/zinc/57/72/70/384577270.db2.gz FIEASECTPHHFFP-LBPRGKRZSA-N 2 2 223.320 0.978 20 0 BCADLP OC[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000293019382 384577274 /nfs/dbraw/zinc/57/72/74/384577274.db2.gz FIEASECTPHHFFP-LBPRGKRZSA-N 2 2 223.320 0.978 20 0 BCADLP COC(=O)[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000050048595 384586116 /nfs/dbraw/zinc/58/61/16/384586116.db2.gz UCLSQKYQJACSAP-NSHDSACASA-N 2 2 237.303 0.911 20 0 BCADLP COC(=O)[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000050048595 384586123 /nfs/dbraw/zinc/58/61/23/384586123.db2.gz UCLSQKYQJACSAP-NSHDSACASA-N 2 2 237.303 0.911 20 0 BCADLP O=C(NCC[NH2+]C1CC1)c1ccc2[nH+]ccn2c1 ZINC000178795092 384588562 /nfs/dbraw/zinc/58/85/62/384588562.db2.gz XCCJLSKALWDEIT-UHFFFAOYSA-N 2 2 244.298 0.816 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647534420 384645634 /nfs/dbraw/zinc/64/56/34/384645634.db2.gz NICGXMVXYMUGEJ-JQWIXIFHSA-N 2 2 220.320 0.604 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000564822691 384645746 /nfs/dbraw/zinc/64/57/46/384645746.db2.gz KYMVLKBBYSIQCQ-WHOHXGKFSA-N 2 2 228.336 0.114 20 0 BCADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc[nH]n2)C1 ZINC000044533577 384658713 /nfs/dbraw/zinc/65/87/13/384658713.db2.gz MZDXGTZSGRFKCF-SNVBAGLBSA-N 2 2 208.309 0.841 20 0 BCADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc[nH]n2)C1 ZINC000044533577 384658721 /nfs/dbraw/zinc/65/87/21/384658721.db2.gz MZDXGTZSGRFKCF-SNVBAGLBSA-N 2 2 208.309 0.841 20 0 BCADLP Cn1c[nH+]cc1C[NH2+][C@H]1CCCCNC1=O ZINC000082394179 384677437 /nfs/dbraw/zinc/67/74/37/384677437.db2.gz AQQLNUKSRWBPOW-JTQLQIEISA-N 2 2 222.292 0.178 20 0 BCADLP Cc1ccncc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000162752710 384679083 /nfs/dbraw/zinc/67/90/83/384679083.db2.gz WVELJWINEGUREE-CQSZACIVSA-N 2 2 249.358 0.936 20 0 BCADLP COC1CC[NH+](CC[NH2+][C@H]2CO[C@@H](C)C2)CC1 ZINC000647190077 384692775 /nfs/dbraw/zinc/69/27/75/384692775.db2.gz HGRARPVWLCRUDC-NWDGAFQWSA-N 2 2 242.363 0.864 20 0 BCADLP Nc1ccc(NC(=O)C[C@H]2CCC[NH2+]2)c[nH+]1 ZINC000151688460 384704748 /nfs/dbraw/zinc/70/47/48/384704748.db2.gz PXUHYHVYKBBNEY-MRVPVSSYSA-N 2 2 220.276 0.744 20 0 BCADLP C[C@@H]1C[N@H+](Cc2ccnn2C)CC[C@@H]1[NH3+] ZINC000086884340 384711525 /nfs/dbraw/zinc/71/15/25/384711525.db2.gz HZEXWUFMKGSUIZ-KOLCDFICSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2ccnn2C)CC[C@@H]1[NH3+] ZINC000086884340 384711530 /nfs/dbraw/zinc/71/15/30/384711530.db2.gz HZEXWUFMKGSUIZ-KOLCDFICSA-N 2 2 208.309 0.589 20 0 BCADLP COC[C@H](C)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000308513685 384778063 /nfs/dbraw/zinc/77/80/63/384778063.db2.gz LTOHJJHVQXVWAF-GMTAPVOTSA-N 2 2 200.326 0.809 20 0 BCADLP COC[C@H](C)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000308513685 384778069 /nfs/dbraw/zinc/77/80/69/384778069.db2.gz LTOHJJHVQXVWAF-GMTAPVOTSA-N 2 2 200.326 0.809 20 0 BCADLP [NH3+]CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(F)F ZINC000647547439 384737846 /nfs/dbraw/zinc/73/78/46/384737846.db2.gz WUJKWDMASNELDX-DBIOUOCHSA-N 3 2 247.333 0.947 20 0 BCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CCC[NH2+]1 ZINC000053253733 384779371 /nfs/dbraw/zinc/77/93/71/384779371.db2.gz MXGIIOAQAAZTON-SNVBAGLBSA-N 2 2 222.292 0.141 20 0 BCADLP [NH3+]CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(F)F ZINC000647547441 384740077 /nfs/dbraw/zinc/74/00/77/384740077.db2.gz WUJKWDMASNELDX-YTWAJWBKSA-N 3 2 247.333 0.947 20 0 BCADLP COCC[NH2+]CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647547448 384741090 /nfs/dbraw/zinc/74/10/90/384741090.db2.gz WYHKKXCTJCLIRL-YNEHKIRRSA-N 3 2 241.379 0.200 20 0 BCADLP CC(C)N1CC[C@H]([NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)C1=O ZINC000647549796 384747444 /nfs/dbraw/zinc/74/74/44/384747444.db2.gz RABVJVMFTKLZOL-SRVKXCTJSA-N 2 2 239.363 0.583 20 0 BCADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647548188 384750920 /nfs/dbraw/zinc/75/09/20/384750920.db2.gz YLYCUSIWFBNNIU-LBELIVKGSA-N 3 2 241.354 0.664 20 0 BCADLP C[C@]1([NH2+]CCCn2cc[nH+]c2)CCOC1=O ZINC000289582041 384755450 /nfs/dbraw/zinc/75/54/50/384755450.db2.gz PDKVPGLTINRBKB-NSHDSACASA-N 2 2 223.276 0.568 20 0 BCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccncc1 ZINC000125912646 384758371 /nfs/dbraw/zinc/75/83/71/384758371.db2.gz MJTPAXBWJIMCQN-GFCCVEGCSA-N 2 2 223.320 0.484 20 0 BCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647550984 384766411 /nfs/dbraw/zinc/76/64/11/384766411.db2.gz RKOUNYNKHVINDZ-DCAQKATOSA-N 2 2 248.392 0.397 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000647550940 384766656 /nfs/dbraw/zinc/76/66/56/384766656.db2.gz PSXSNWFKLRHOQA-AXFHLTTASA-N 2 2 237.347 0.337 20 0 BCADLP C[N@@H+]1CCN(C[C@H]2CCSC2)[C@H](C[NH3+])C1 ZINC000300234909 384827417 /nfs/dbraw/zinc/82/74/17/384827417.db2.gz XUUSDPJCDAETBT-GHMZBOCLSA-N 2 2 229.393 0.314 20 0 BCADLP C[N@H+]1CCN(C[C@H]2CCSC2)[C@H](C[NH3+])C1 ZINC000300234909 384827421 /nfs/dbraw/zinc/82/74/21/384827421.db2.gz XUUSDPJCDAETBT-GHMZBOCLSA-N 2 2 229.393 0.314 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000518200701 384789015 /nfs/dbraw/zinc/78/90/15/384789015.db2.gz PDSXHJJUKOORGD-LBPRGKRZSA-N 3 2 240.351 0.175 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000518200701 384789023 /nfs/dbraw/zinc/78/90/23/384789023.db2.gz PDSXHJJUKOORGD-LBPRGKRZSA-N 3 2 240.351 0.175 20 0 BCADLP COC(=O)CCC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000601330059 384790514 /nfs/dbraw/zinc/79/05/14/384790514.db2.gz PXAFBCYZEFPZAN-BDAKNGLRSA-N 2 2 200.282 0.361 20 0 BCADLP COC(=O)CCC[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000601330059 384790518 /nfs/dbraw/zinc/79/05/18/384790518.db2.gz PXAFBCYZEFPZAN-BDAKNGLRSA-N 2 2 200.282 0.361 20 0 BCADLP C[N@@H+](Cc1ccccc1F)C[C@@H](O)C[NH3+] ZINC000042436744 384793205 /nfs/dbraw/zinc/79/32/05/384793205.db2.gz SGMLYLNZHZAMMP-JTQLQIEISA-N 2 2 212.268 0.577 20 0 BCADLP C[N@H+](Cc1ccccc1F)C[C@@H](O)C[NH3+] ZINC000042436744 384793213 /nfs/dbraw/zinc/79/32/13/384793213.db2.gz SGMLYLNZHZAMMP-JTQLQIEISA-N 2 2 212.268 0.577 20 0 BCADLP C[N@H+](CCn1cccn1)[C@H](C[NH3+])C1CC1 ZINC000126708121 384797517 /nfs/dbraw/zinc/79/75/17/384797517.db2.gz OSNQKEIRSBKAEF-LLVKDONJSA-N 2 2 208.309 0.552 20 0 BCADLP C[N@@H+](CCn1cccn1)[C@H](C[NH3+])C1CC1 ZINC000126708121 384797524 /nfs/dbraw/zinc/79/75/24/384797524.db2.gz OSNQKEIRSBKAEF-LLVKDONJSA-N 2 2 208.309 0.552 20 0 BCADLP c1cn(CC[N@@H+]2CCc3n[nH]cc3C2)c[nH+]1 ZINC000163474051 384810475 /nfs/dbraw/zinc/81/04/75/384810475.db2.gz FLSJPXWJZULFOV-UHFFFAOYSA-N 2 2 217.276 0.665 20 0 BCADLP c1cn(CC[N@H+]2CCc3n[nH]cc3C2)c[nH+]1 ZINC000163474051 384810485 /nfs/dbraw/zinc/81/04/85/384810485.db2.gz FLSJPXWJZULFOV-UHFFFAOYSA-N 2 2 217.276 0.665 20 0 BCADLP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)C[C@H](C)OC ZINC000361557468 384811075 /nfs/dbraw/zinc/81/10/75/384811075.db2.gz AIFSCRIMCZQBAB-WCQYABFASA-N 2 2 244.379 0.798 20 0 BCADLP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C[C@H](C)OC ZINC000361557468 384811080 /nfs/dbraw/zinc/81/10/80/384811080.db2.gz AIFSCRIMCZQBAB-WCQYABFASA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)C[C@H](C)OC ZINC000361557468 384811091 /nfs/dbraw/zinc/81/10/91/384811091.db2.gz AIFSCRIMCZQBAB-WCQYABFASA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C[C@H](C)OC ZINC000361557468 384811101 /nfs/dbraw/zinc/81/11/01/384811101.db2.gz AIFSCRIMCZQBAB-WCQYABFASA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)(C)[C@@H](CO)[NH2+]CCn1cc[nH+]c1 ZINC000278932625 384875989 /nfs/dbraw/zinc/87/59/89/384875989.db2.gz XKEKOJMRNWANKD-SNVBAGLBSA-N 2 2 211.309 0.880 20 0 BCADLP CCOCC[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000308620241 384876520 /nfs/dbraw/zinc/87/65/20/384876520.db2.gz SVTCZLZNIUIIIO-MNOVXSKESA-N 2 2 200.326 0.953 20 0 BCADLP CCOCC[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000308620241 384876527 /nfs/dbraw/zinc/87/65/27/384876527.db2.gz SVTCZLZNIUIIIO-MNOVXSKESA-N 2 2 200.326 0.953 20 0 BCADLP CC[N@H+](C)CC[NH2+][C@H](C)CC(=O)NC ZINC000308628346 384878729 /nfs/dbraw/zinc/87/87/29/384878729.db2.gz XUXVFGXKQBAANT-SECBINFHSA-N 2 2 201.314 0.052 20 0 BCADLP CC[N@@H+](C)CC[NH2+][C@H](C)CC(=O)NC ZINC000308628346 384878733 /nfs/dbraw/zinc/87/87/33/384878733.db2.gz XUXVFGXKQBAANT-SECBINFHSA-N 2 2 201.314 0.052 20 0 BCADLP COC(=O)[C@]1(C)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000186372584 384840023 /nfs/dbraw/zinc/84/00/23/384840023.db2.gz JVGRDWDNWHGTMG-LBPRGKRZSA-N 2 2 237.303 0.911 20 0 BCADLP COC(=O)[C@]1(C)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000186372584 384840029 /nfs/dbraw/zinc/84/00/29/384840029.db2.gz JVGRDWDNWHGTMG-LBPRGKRZSA-N 2 2 237.303 0.911 20 0 BCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000557151381 384846881 /nfs/dbraw/zinc/84/68/81/384846881.db2.gz FWCGSVDWFUOLTB-GHMZBOCLSA-N 2 2 236.319 0.434 20 0 BCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000557151381 384846887 /nfs/dbraw/zinc/84/68/87/384846887.db2.gz FWCGSVDWFUOLTB-GHMZBOCLSA-N 2 2 236.319 0.434 20 0 BCADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccn(C)n1 ZINC000112344430 384857140 /nfs/dbraw/zinc/85/71/40/384857140.db2.gz QNXWKAHLUVTVLE-JTQLQIEISA-N 2 2 210.325 0.850 20 0 BCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH+](C)C ZINC000557466800 384956548 /nfs/dbraw/zinc/95/65/48/384956548.db2.gz KKBXCSZWECFUSV-JTQLQIEISA-N 2 2 224.308 0.197 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407319839 384900533 /nfs/dbraw/zinc/90/05/33/384900533.db2.gz VRZGOCCBIRCROR-QWRGUYRKSA-N 2 2 248.330 0.899 20 0 BCADLP OC1(C[NH2+][C@H]2CC[N@H+](CC3CC3)C2)CCC1 ZINC000644556698 384958561 /nfs/dbraw/zinc/95/85/61/384958561.db2.gz LXFPFRYKEJLZGI-LBPRGKRZSA-N 2 2 224.348 0.975 20 0 BCADLP OC1(C[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CCC1 ZINC000644556698 384958568 /nfs/dbraw/zinc/95/85/68/384958568.db2.gz LXFPFRYKEJLZGI-LBPRGKRZSA-N 2 2 224.348 0.975 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000310244469 384920818 /nfs/dbraw/zinc/92/08/18/384920818.db2.gz JHDHQMYPLUTEQS-RYUDHWBXSA-N 2 2 239.363 0.444 20 0 BCADLP CCCCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000310244469 384920825 /nfs/dbraw/zinc/92/08/25/384920825.db2.gz JHDHQMYPLUTEQS-RYUDHWBXSA-N 2 2 239.363 0.444 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)CO1 ZINC000647203515 384925903 /nfs/dbraw/zinc/92/59/03/384925903.db2.gz IIHDJSQQNYTGKO-GMTAPVOTSA-N 2 2 221.304 0.965 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000257744927 384925909 /nfs/dbraw/zinc/92/59/09/384925909.db2.gz DQVWIRSTXWFLEH-NWDGAFQWSA-N 2 2 227.352 0.130 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000257744927 384925916 /nfs/dbraw/zinc/92/59/16/384925916.db2.gz DQVWIRSTXWFLEH-NWDGAFQWSA-N 2 2 227.352 0.130 20 0 BCADLP Cc1ccccc1C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000258824699 384938664 /nfs/dbraw/zinc/93/86/64/384938664.db2.gz CPKCVFVKWNMCON-AWEZNQCLSA-N 2 2 233.359 0.988 20 0 BCADLP CCOC[C@H](O)C[NH2+][C@H](CC)C[NH+]1CCCC1 ZINC000644569437 384965832 /nfs/dbraw/zinc/96/58/32/384965832.db2.gz PLWUFURQMUJSCF-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP CC[C@@H](C)NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577145 384967006 /nfs/dbraw/zinc/96/70/06/384967006.db2.gz WOCISMUAJMIWSN-KXNHARMFSA-N 2 2 239.363 0.441 20 0 BCADLP CC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577145 384967015 /nfs/dbraw/zinc/96/70/15/384967015.db2.gz WOCISMUAJMIWSN-KXNHARMFSA-N 2 2 239.363 0.441 20 0 BCADLP C[C@@H](O)C[NH2+]CCCNc1cccc[nH+]1 ZINC000644570804 384969606 /nfs/dbraw/zinc/96/96/06/384969606.db2.gz QOZINOMEEGJNHR-SNVBAGLBSA-N 2 2 209.293 0.854 20 0 BCADLP CC[C@@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000644572033 384981135 /nfs/dbraw/zinc/98/11/35/384981135.db2.gz YAHBQYKKXVPBOR-VXGBXAGGSA-N 2 2 230.352 0.315 20 0 BCADLP CC(C)(C)CCNC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000156838856 384990803 /nfs/dbraw/zinc/99/08/03/384990803.db2.gz FLBPWVKFAZSIPZ-UHFFFAOYSA-N 2 2 241.379 0.962 20 0 BCADLP C[NH+]1CCC([NH2+]Cc2ncccc2O)CC1 ZINC000309980429 384994690 /nfs/dbraw/zinc/99/46/90/384994690.db2.gz VXDWPEGLFQGVSE-UHFFFAOYSA-N 2 2 221.304 0.971 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000310337597 384995609 /nfs/dbraw/zinc/99/56/09/384995609.db2.gz NENBILQDITWMAM-NEPJUHHUSA-N 2 2 239.363 0.587 20 0 BCADLP CCCCNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000310337597 384995614 /nfs/dbraw/zinc/99/56/14/384995614.db2.gz NENBILQDITWMAM-NEPJUHHUSA-N 2 2 239.363 0.587 20 0 BCADLP NC(=O)CC[NH2+]Cc1ccn2cc[nH+]c2c1 ZINC000644597927 384999558 /nfs/dbraw/zinc/99/95/58/384999558.db2.gz BGJQUKBIBCBEQM-UHFFFAOYSA-N 2 2 218.260 0.299 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000129356315 384999581 /nfs/dbraw/zinc/99/95/81/384999581.db2.gz WUCOXAJZVHRETG-RKDXNWHRSA-N 2 2 211.309 0.077 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000129356315 384999586 /nfs/dbraw/zinc/99/95/86/384999586.db2.gz WUCOXAJZVHRETG-RKDXNWHRSA-N 2 2 211.309 0.077 20 0 BCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccns1 ZINC000404445379 385005497 /nfs/dbraw/zinc/00/54/97/385005497.db2.gz DRZBDAFHHNGAIQ-SNVBAGLBSA-N 2 2 229.349 0.545 20 0 BCADLP C[N@@H+]1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC000646914096 385064258 /nfs/dbraw/zinc/06/42/58/385064258.db2.gz PKPDKXBRGWVOSO-MNOVXSKESA-N 2 2 234.303 0.046 20 0 BCADLP C[N@H+]1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC000646914096 385064262 /nfs/dbraw/zinc/06/42/62/385064262.db2.gz PKPDKXBRGWVOSO-MNOVXSKESA-N 2 2 234.303 0.046 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000646933978 385073143 /nfs/dbraw/zinc/07/31/43/385073143.db2.gz LWEGLRBADLXNCY-CMPLNLGQSA-N 2 2 248.330 0.423 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000646933978 385073154 /nfs/dbraw/zinc/07/31/54/385073154.db2.gz LWEGLRBADLXNCY-CMPLNLGQSA-N 2 2 248.330 0.423 20 0 BCADLP C([NH2+][C@H]1CC[C@H]1C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423548140 385025610 /nfs/dbraw/zinc/02/56/10/385025610.db2.gz DRGDLZBOMOLWHI-SRVKXCTJSA-N 2 2 210.321 0.753 20 0 BCADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423544876 385025860 /nfs/dbraw/zinc/02/58/60/385025860.db2.gz CNDPEMSJDMQECJ-SRVKXCTJSA-N 2 2 212.337 0.999 20 0 BCADLP Cc1c(C[NH2+]C2CC[NH+](C)CC2)cnn1C ZINC000086551924 385027260 /nfs/dbraw/zinc/02/72/60/385027260.db2.gz DCAZPDABOXVAEN-UHFFFAOYSA-N 2 2 222.336 0.912 20 0 BCADLP c1c[nH+]c(Cn2cc([C@H]3CCC[NH2+]C3)nn2)[nH]1 ZINC000404585955 385034992 /nfs/dbraw/zinc/03/49/92/385034992.db2.gz DBKAUTSYABVBJR-VIFPVBQESA-N 2 2 232.291 0.517 20 0 BCADLP CO[C@H](C[NH3+])C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000227358366 385123681 /nfs/dbraw/zinc/12/36/81/385123681.db2.gz MZAVARGYRNFPFN-LLVKDONJSA-N 2 2 248.286 0.784 20 0 BCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000162215268 385126768 /nfs/dbraw/zinc/12/67/68/385126768.db2.gz BBERJUQNVULBGD-SNVBAGLBSA-N 2 2 236.381 0.351 20 0 BCADLP O=C1NCC[C@@H]1[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000566246089 385136026 /nfs/dbraw/zinc/13/60/26/385136026.db2.gz DKDDQYBOVMOHTQ-LBPRGKRZSA-N 2 2 237.347 0.339 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227068217 385087181 /nfs/dbraw/zinc/08/71/81/385087181.db2.gz IZZPEGKWHABLAP-SDDRHHMPSA-N 2 2 241.379 0.816 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227068217 385087189 /nfs/dbraw/zinc/08/71/89/385087189.db2.gz IZZPEGKWHABLAP-SDDRHHMPSA-N 2 2 241.379 0.816 20 0 BCADLP Cn1c[nH+]cc1Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000404842108 385104377 /nfs/dbraw/zinc/10/43/77/385104377.db2.gz KHHIDORJHUCPQF-JTQLQIEISA-N 2 2 246.318 0.527 20 0 BCADLP CC[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)C(=O)NC ZINC000449770073 385188632 /nfs/dbraw/zinc/18/86/32/385188632.db2.gz FHEDMEASSDQLDF-LLVKDONJSA-N 2 2 246.314 0.949 20 0 BCADLP NC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157313466 385147362 /nfs/dbraw/zinc/14/73/62/385147362.db2.gz QLSYZNHATCAEBK-NSHDSACASA-N 2 2 225.336 0.422 20 0 BCADLP NC(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157313466 385147366 /nfs/dbraw/zinc/14/73/66/385147366.db2.gz QLSYZNHATCAEBK-NSHDSACASA-N 2 2 225.336 0.422 20 0 BCADLP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000165581727 385147891 /nfs/dbraw/zinc/14/78/91/385147891.db2.gz CVVKBIQTHHSSEW-GHMZBOCLSA-N 2 2 238.335 0.619 20 0 BCADLP C[C@H]([NH3+])CNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000647020825 385149262 /nfs/dbraw/zinc/14/92/62/385149262.db2.gz NPIFENVRDYARKE-QUBYGPBYSA-N 2 2 243.257 0.428 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@H](C[NH+](C)C)C1 ZINC000177073771 385179001 /nfs/dbraw/zinc/17/90/01/385179001.db2.gz HCGGVHCVWWNYPM-NSHDSACASA-N 2 2 222.336 0.804 20 0 BCADLP Cn1cncc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000177073771 385179005 /nfs/dbraw/zinc/17/90/05/385179005.db2.gz HCGGVHCVWWNYPM-NSHDSACASA-N 2 2 222.336 0.804 20 0 BCADLP Cn1cncc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000177073771 385179011 /nfs/dbraw/zinc/17/90/11/385179011.db2.gz HCGGVHCVWWNYPM-NSHDSACASA-N 2 2 222.336 0.804 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCn1cccn1 ZINC000044387965 385206170 /nfs/dbraw/zinc/20/61/70/385206170.db2.gz UNMOJTXIUXRYQA-NSHDSACASA-N 2 2 208.309 0.696 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@H+]1CCn1cccn1 ZINC000044387965 385206175 /nfs/dbraw/zinc/20/61/75/385206175.db2.gz UNMOJTXIUXRYQA-NSHDSACASA-N 2 2 208.309 0.696 20 0 BCADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000019843100 385255960 /nfs/dbraw/zinc/25/59/60/385255960.db2.gz WOUVCOCRMHSXFN-NSHDSACASA-N 2 2 225.336 0.183 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC000178207955 385206596 /nfs/dbraw/zinc/20/65/96/385206596.db2.gz WEZSSIYXXZJOEJ-WDEREUQCSA-N 2 2 225.336 0.149 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC000178207955 385206599 /nfs/dbraw/zinc/20/65/99/385206599.db2.gz WEZSSIYXXZJOEJ-WDEREUQCSA-N 2 2 225.336 0.149 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000178207955 385206604 /nfs/dbraw/zinc/20/66/04/385206604.db2.gz WEZSSIYXXZJOEJ-WDEREUQCSA-N 2 2 225.336 0.149 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000178207955 385206608 /nfs/dbraw/zinc/20/66/08/385206608.db2.gz WEZSSIYXXZJOEJ-WDEREUQCSA-N 2 2 225.336 0.149 20 0 BCADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)NCC2CC2)C1 ZINC000019843100 385255953 /nfs/dbraw/zinc/25/59/53/385255953.db2.gz WOUVCOCRMHSXFN-NSHDSACASA-N 2 2 225.336 0.183 20 0 BCADLP Nc1ccc(NC(=O)C[C@@H]2CC[NH2+]C2)c[nH+]1 ZINC000189904361 385324093 /nfs/dbraw/zinc/32/40/93/385324093.db2.gz LRPCHHLYYGEWGU-QMMMGPOBSA-N 2 2 220.276 0.602 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1COCC1(C)C ZINC000313063762 385317638 /nfs/dbraw/zinc/31/76/38/385317638.db2.gz KTMHATJZCCJMQF-GRYCIOLGSA-N 2 2 242.363 0.768 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000644733248 385337218 /nfs/dbraw/zinc/33/72/18/385337218.db2.gz NILLQEHJYDYLES-JQWIXIFHSA-N 2 2 220.320 0.556 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000644733248 385337221 /nfs/dbraw/zinc/33/72/21/385337221.db2.gz NILLQEHJYDYLES-JQWIXIFHSA-N 2 2 220.320 0.556 20 0 BCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CC(=O)NC2CC2)[C@H]1C ZINC000316902046 385339763 /nfs/dbraw/zinc/33/97/63/385339763.db2.gz SLBKZZRXRQDTOC-SCVCMEIPSA-N 2 2 239.363 0.713 20 0 BCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CC(=O)NC2CC2)[C@H]1C ZINC000316902046 385339769 /nfs/dbraw/zinc/33/97/69/385339769.db2.gz SLBKZZRXRQDTOC-SCVCMEIPSA-N 2 2 239.363 0.713 20 0 BCADLP C[C@@H](C(=O)NCCCn1cc[nH+]c1)[C@H](C)[NH3+] ZINC000165073011 385346254 /nfs/dbraw/zinc/34/62/54/385346254.db2.gz DVEKPCIZSOKXRP-ZJUUUORDSA-N 2 2 224.308 0.373 20 0 BCADLP C[N@H+]1C[C@H]2CCN(Cc3c[nH]c[nH+]3)[C@H]2C1 ZINC000644733728 385355141 /nfs/dbraw/zinc/35/51/41/385355141.db2.gz LHLXMPGXAYPOBS-KOLCDFICSA-N 2 2 206.293 0.546 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000165173261 385355695 /nfs/dbraw/zinc/35/56/95/385355695.db2.gz PVOIWAYIEXGBMJ-OPRDCNLKSA-N 2 2 224.308 0.371 20 0 BCADLP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)nn1C ZINC000647496288 385386191 /nfs/dbraw/zinc/38/61/91/385386191.db2.gz DCSDJCKRWSSUKD-JOYOIKCWSA-N 2 2 222.336 0.898 20 0 BCADLP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)nn1C ZINC000647496288 385386192 /nfs/dbraw/zinc/38/61/92/385386192.db2.gz DCSDJCKRWSSUKD-JOYOIKCWSA-N 2 2 222.336 0.898 20 0 BCADLP CC[C@H](O)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000309041741 385386795 /nfs/dbraw/zinc/38/67/95/385386795.db2.gz LPYPRLRBRDIPQP-DLOVCJGASA-N 2 2 212.337 0.830 20 0 BCADLP CC[C@H](O)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000309041741 385386801 /nfs/dbraw/zinc/38/68/01/385386801.db2.gz LPYPRLRBRDIPQP-DLOVCJGASA-N 2 2 212.337 0.830 20 0 BCADLP Cn1ncnc1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405242050 385402320 /nfs/dbraw/zinc/40/23/20/385402320.db2.gz WRRYKLLDHYPXNZ-JGVFFNPUSA-N 2 2 209.297 0.031 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)CC[N@@H+]1C ZINC000155853157 385418716 /nfs/dbraw/zinc/41/87/16/385418716.db2.gz NVGCPYRMTYIQKV-ONGXEEELSA-N 2 2 225.336 0.337 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)CC[N@H+]1C ZINC000155853157 385418722 /nfs/dbraw/zinc/41/87/22/385418722.db2.gz NVGCPYRMTYIQKV-ONGXEEELSA-N 2 2 225.336 0.337 20 0 BCADLP C[NH+](C)CC(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000170752405 385441902 /nfs/dbraw/zinc/44/19/02/385441902.db2.gz OFFLTWZNZWHNKI-UHFFFAOYSA-N 2 2 245.286 0.767 20 0 BCADLP C[C@@H](C[NH3+])N(C)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000179185115 385448382 /nfs/dbraw/zinc/44/83/82/385448382.db2.gz RKKCNQIFCPBWIJ-JTQLQIEISA-N 2 2 246.314 0.682 20 0 BCADLP C[NH+]1CCC([NH2+]CC2([S@@](C)=O)CC2)CC1 ZINC000309190242 385457295 /nfs/dbraw/zinc/45/72/95/385457295.db2.gz PMTDLTCVJKUIKL-OAHLLOKOSA-N 2 2 230.377 0.581 20 0 BCADLP Cn1nccc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000179636534 385479614 /nfs/dbraw/zinc/47/96/14/385479614.db2.gz QHAAJBKASWWCQU-LLVKDONJSA-N 2 2 222.336 0.804 20 0 BCADLP Cn1nccc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000179636534 385479619 /nfs/dbraw/zinc/47/96/19/385479619.db2.gz QHAAJBKASWWCQU-LLVKDONJSA-N 2 2 222.336 0.804 20 0 BCADLP C[C@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000195149149 385461870 /nfs/dbraw/zinc/46/18/70/385461870.db2.gz MRXDYFSZLDFKBM-JTQLQIEISA-N 2 2 248.330 0.645 20 0 BCADLP CN(c1nc[nH+]c(N)c1Cl)C1CC[NH2+]CC1 ZINC000642992848 385495926 /nfs/dbraw/zinc/49/59/26/385495926.db2.gz BSTCMGFZPPDNFX-UHFFFAOYSA-N 2 2 241.726 0.900 20 0 BCADLP CN(c1[nH+]cnc(N)c1Cl)C1CC[NH2+]CC1 ZINC000642992848 385495927 /nfs/dbraw/zinc/49/59/27/385495927.db2.gz BSTCMGFZPPDNFX-UHFFFAOYSA-N 2 2 241.726 0.900 20 0 BCADLP C[N@@H+]1CCN(c2cc3c(nn2)CCC3)[C@@H](C[NH3+])C1 ZINC000643016880 385513349 /nfs/dbraw/zinc/51/33/49/385513349.db2.gz XFKIOASZKINKLZ-NSHDSACASA-N 2 2 247.346 0.044 20 0 BCADLP C[N@H+]1CCN(c2cc3c(nn2)CCC3)[C@@H](C[NH3+])C1 ZINC000643016880 385513354 /nfs/dbraw/zinc/51/33/54/385513354.db2.gz XFKIOASZKINKLZ-NSHDSACASA-N 2 2 247.346 0.044 20 0 BCADLP C[C@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000157979710 385541843 /nfs/dbraw/zinc/54/18/43/385541843.db2.gz WJKZWHAEYKBMEE-UWVGGRQHSA-N 2 2 234.303 0.124 20 0 BCADLP C[C@@H]1CN(c2nc[nH+]c(N)c2Cl)[C@H](C)C[NH2+]1 ZINC000643023164 385519529 /nfs/dbraw/zinc/51/95/29/385519529.db2.gz ZMIRGMKXWHRXHO-RNFRBKRXSA-N 2 2 241.726 0.899 20 0 BCADLP Cc1nc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc[nH+]1 ZINC000643030817 385527437 /nfs/dbraw/zinc/52/74/37/385527437.db2.gz AQWIFOZIUYUTJT-WDEREUQCSA-N 2 2 218.304 0.973 20 0 BCADLP C[NH+]1CCC([NH2+][C@H](CO)[C@@H]2CCCO2)CC1 ZINC000309468414 385597454 /nfs/dbraw/zinc/59/74/54/385597454.db2.gz QBJUSFKIPFBSGD-NEPJUHHUSA-N 2 2 228.336 0.210 20 0 BCADLP CC(C)(CC(N)=O)[NH2+]CCn1cc[nH+]c1 ZINC000336675856 385599792 /nfs/dbraw/zinc/59/97/92/385599792.db2.gz ALSFOFHSIOGNOF-UHFFFAOYSA-N 2 2 210.281 0.127 20 0 BCADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)[nH]1 ZINC000414849086 385617595 /nfs/dbraw/zinc/61/75/95/385617595.db2.gz QPDRAZXZEVLWQU-SECBINFHSA-N 2 2 237.303 0.643 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]C1CCOCC1 ZINC000184538289 385674056 /nfs/dbraw/zinc/67/40/56/385674056.db2.gz LRZXTPZYZYPKJD-UHFFFAOYSA-N 2 2 216.325 0.069 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]C1CCOCC1 ZINC000184538289 385674060 /nfs/dbraw/zinc/67/40/60/385674060.db2.gz LRZXTPZYZYPKJD-UHFFFAOYSA-N 2 2 216.325 0.069 20 0 BCADLP C[C@H](C[NH2+]C1CC[NH+](C)CC1)C[NH+](C)C ZINC000336685215 385683968 /nfs/dbraw/zinc/68/39/68/385683968.db2.gz KPGUCINXASEHKU-LLVKDONJSA-N 3 2 213.369 0.868 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)C[C@H]1C)C(=O)NCCF ZINC000337557301 385702332 /nfs/dbraw/zinc/70/23/32/385702332.db2.gz SDEKAMYQCQPZEG-VWYCJHECSA-N 2 2 245.342 0.390 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)C(=O)NCCF ZINC000337557301 385702337 /nfs/dbraw/zinc/70/23/37/385702337.db2.gz SDEKAMYQCQPZEG-VWYCJHECSA-N 2 2 245.342 0.390 20 0 BCADLP C[N@@H+](Cc1cc(F)cc(F)c1)C[C@H](O)C[NH3+] ZINC000336735572 385703155 /nfs/dbraw/zinc/70/31/55/385703155.db2.gz IBJNDZNZDFXWEN-LLVKDONJSA-N 2 2 230.258 0.716 20 0 BCADLP C[N@H+](Cc1cc(F)cc(F)c1)C[C@H](O)C[NH3+] ZINC000336735572 385703161 /nfs/dbraw/zinc/70/31/61/385703161.db2.gz IBJNDZNZDFXWEN-LLVKDONJSA-N 2 2 230.258 0.716 20 0 BCADLP CO[C@H](C)CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336656656 385786315 /nfs/dbraw/zinc/78/63/15/385786315.db2.gz ORDYDTFRMMCWEL-HBNTYKKESA-N 2 2 200.326 0.951 20 0 BCADLP CO[C@H](C)CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336656656 385786316 /nfs/dbraw/zinc/78/63/16/385786316.db2.gz ORDYDTFRMMCWEL-HBNTYKKESA-N 2 2 200.326 0.951 20 0 BCADLP COC[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000270835815 385751052 /nfs/dbraw/zinc/75/10/52/385751052.db2.gz DUFQWSDOLAWSLH-LLVKDONJSA-N 2 2 209.293 0.851 20 0 BCADLP COC[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000270835815 385751056 /nfs/dbraw/zinc/75/10/56/385751056.db2.gz DUFQWSDOLAWSLH-LLVKDONJSA-N 2 2 209.293 0.851 20 0 BCADLP COCC[C@H](CO)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000282321714 385752399 /nfs/dbraw/zinc/75/23/99/385752399.db2.gz TVKGLSZXDOTTGR-LLVKDONJSA-N 2 2 249.314 0.821 20 0 BCADLP CO[C@H]1CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000270855938 385753345 /nfs/dbraw/zinc/75/33/45/385753345.db2.gz JACFGTGTNDMNIR-NSHDSACASA-N 2 2 209.293 0.912 20 0 BCADLP CO[C@H]1CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000270855938 385753348 /nfs/dbraw/zinc/75/33/48/385753348.db2.gz JACFGTGTNDMNIR-NSHDSACASA-N 2 2 209.293 0.912 20 0 BCADLP COC[C@@H]1C[N@H+](CCn2cc[nH+]c2C)CCO1 ZINC000270853670 385753638 /nfs/dbraw/zinc/75/36/38/385753638.db2.gz IIWIJBQOUPYHAY-LBPRGKRZSA-N 2 2 239.319 0.539 20 0 BCADLP COC[C@@H]1C[N@@H+](CCn2cc[nH+]c2C)CCO1 ZINC000270853670 385753644 /nfs/dbraw/zinc/75/36/44/385753644.db2.gz IIWIJBQOUPYHAY-LBPRGKRZSA-N 2 2 239.319 0.539 20 0 BCADLP COC(=O)C[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000270890780 385755401 /nfs/dbraw/zinc/75/54/01/385755401.db2.gz PDVSTEBWJLSWRX-UHFFFAOYSA-N 2 2 223.276 0.521 20 0 BCADLP COC(=O)C[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000270890780 385755405 /nfs/dbraw/zinc/75/54/05/385755405.db2.gz PDVSTEBWJLSWRX-UHFFFAOYSA-N 2 2 223.276 0.521 20 0 BCADLP CCn1nccc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000414863324 385759499 /nfs/dbraw/zinc/75/94/99/385759499.db2.gz IKCAALYBZISTQK-JTQLQIEISA-N 2 2 208.309 0.745 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000186577508 385771600 /nfs/dbraw/zinc/77/16/00/385771600.db2.gz HUIUCPWREKSWMV-NWDGAFQWSA-N 2 2 230.352 0.315 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000186577508 385771608 /nfs/dbraw/zinc/77/16/08/385771608.db2.gz HUIUCPWREKSWMV-NWDGAFQWSA-N 2 2 230.352 0.315 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H]1CCO[C@@H]1C ZINC000186579507 385774259 /nfs/dbraw/zinc/77/42/59/385774259.db2.gz UPXKUAIRONHBKQ-MNOVXSKESA-N 2 2 216.325 0.068 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CCO[C@@H]1C ZINC000186579507 385774261 /nfs/dbraw/zinc/77/42/61/385774261.db2.gz UPXKUAIRONHBKQ-MNOVXSKESA-N 2 2 216.325 0.068 20 0 BCADLP COC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000309660759 385778527 /nfs/dbraw/zinc/77/85/27/385778527.db2.gz RFUYYIREGIFXHC-YUSALJHKSA-N 2 2 228.336 0.066 20 0 BCADLP COC[C@H](O)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000309660759 385778534 /nfs/dbraw/zinc/77/85/34/385778534.db2.gz RFUYYIREGIFXHC-YUSALJHKSA-N 2 2 228.336 0.066 20 0 BCADLP O=C1CC[C@@H]([NH2+]CCn2cc[nH+]c2)C2(CCC2)N1 ZINC000282739992 385782793 /nfs/dbraw/zinc/78/27/93/385782793.db2.gz JEMREVGDUBYQNT-LLVKDONJSA-N 2 2 248.330 0.674 20 0 BCADLP CCOC[C@@H](O)C[NH2+]Cc1ccn2cc[nH+]c2c1 ZINC000521426967 385813288 /nfs/dbraw/zinc/81/32/88/385813288.db2.gz WGFQKOYDFVSVRN-LBPRGKRZSA-N 2 2 249.314 0.821 20 0 BCADLP C[C@@H](C[NH3+])NC(=O)c1ccc2[nH+]ccn2c1 ZINC000262540357 385857533 /nfs/dbraw/zinc/85/75/33/385857533.db2.gz RRKDQPVFGAPVKO-QMMMGPOBSA-N 2 2 218.260 0.411 20 0 BCADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]CC1(O)CCC1 ZINC000521436382 385831287 /nfs/dbraw/zinc/83/12/87/385831287.db2.gz VORDCEIMBYAZHD-GFCCVEGCSA-N 2 2 242.363 0.338 20 0 BCADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]CC1(O)CCC1 ZINC000521436382 385831292 /nfs/dbraw/zinc/83/12/92/385831292.db2.gz VORDCEIMBYAZHD-GFCCVEGCSA-N 2 2 242.363 0.338 20 0 BCADLP CC[NH2+][C@H](C)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000414956101 385838335 /nfs/dbraw/zinc/83/83/35/385838335.db2.gz NCYJETTVOZDKQR-SNVBAGLBSA-N 2 2 235.331 0.873 20 0 BCADLP C[NH+](C)C1CN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000271741270 385848283 /nfs/dbraw/zinc/84/82/83/385848283.db2.gz QXADLLPQPPOZPH-UHFFFAOYSA-N 2 2 217.276 0.708 20 0 BCADLP CS[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@H]1[NH+](C)C ZINC000271791164 385851122 /nfs/dbraw/zinc/85/11/22/385851122.db2.gz AIDGNQIPCNEYPV-NXEZZACHSA-N 2 2 240.376 0.887 20 0 BCADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC000644843185 385884560 /nfs/dbraw/zinc/88/45/60/385884560.db2.gz GEZMDDIFRHFMLR-LBPRGKRZSA-N 2 2 220.320 0.937 20 0 BCADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC000644843185 385884562 /nfs/dbraw/zinc/88/45/62/385884562.db2.gz GEZMDDIFRHFMLR-LBPRGKRZSA-N 2 2 220.320 0.937 20 0 BCADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC000644843185 385884565 /nfs/dbraw/zinc/88/45/65/385884565.db2.gz GEZMDDIFRHFMLR-LBPRGKRZSA-N 2 2 220.320 0.937 20 0 BCADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC000644843185 385884567 /nfs/dbraw/zinc/88/45/67/385884567.db2.gz GEZMDDIFRHFMLR-LBPRGKRZSA-N 2 2 220.320 0.937 20 0 BCADLP COC(=O)c1ccc(C[NH2+]CC2([NH3+])CCC2)[nH]1 ZINC000414875203 385893617 /nfs/dbraw/zinc/89/36/17/385893617.db2.gz JMDFGDGKTNFBRD-UHFFFAOYSA-N 2 2 237.303 0.772 20 0 BCADLP Cc1cccc(CNC(=O)C[N@H+](C)CCC[NH3+])c1 ZINC000647848552 385898734 /nfs/dbraw/zinc/89/87/34/385898734.db2.gz UBRNHZUHJCOSRJ-UHFFFAOYSA-N 2 2 249.358 0.892 20 0 BCADLP Cc1cccc(CNC(=O)C[N@@H+](C)CCC[NH3+])c1 ZINC000647848552 385898736 /nfs/dbraw/zinc/89/87/36/385898736.db2.gz UBRNHZUHJCOSRJ-UHFFFAOYSA-N 2 2 249.358 0.892 20 0 BCADLP Cc1cc[nH+]c(NC[C@H]2C[NH2+]CCN2C)c1 ZINC000394723391 385909227 /nfs/dbraw/zinc/90/92/27/385909227.db2.gz DBIWSHKDGAGHOK-LLVKDONJSA-N 2 2 220.320 0.706 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000122312397 385910517 /nfs/dbraw/zinc/91/05/17/385910517.db2.gz JLMPNBFEADPZIE-VXGBXAGGSA-N 2 2 222.336 0.955 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000122312397 385910521 /nfs/dbraw/zinc/91/05/21/385910521.db2.gz JLMPNBFEADPZIE-VXGBXAGGSA-N 2 2 222.336 0.955 20 0 BCADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CC(=O)NC ZINC000341985054 385913535 /nfs/dbraw/zinc/91/35/35/385913535.db2.gz ZJMHUFIQESWJEC-VXGBXAGGSA-N 2 2 241.379 0.975 20 0 BCADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CC(=O)NC ZINC000341985054 385913541 /nfs/dbraw/zinc/91/35/41/385913541.db2.gz ZJMHUFIQESWJEC-VXGBXAGGSA-N 2 2 241.379 0.975 20 0 BCADLP CSCC[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336720208 385862233 /nfs/dbraw/zinc/86/22/33/385862233.db2.gz ZPMFWODIVUNBLO-LLVKDONJSA-N 2 2 232.393 0.736 20 0 BCADLP CSCC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336720208 385862237 /nfs/dbraw/zinc/86/22/37/385862237.db2.gz ZPMFWODIVUNBLO-LLVKDONJSA-N 2 2 232.393 0.736 20 0 BCADLP CSCC[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336720208 385862240 /nfs/dbraw/zinc/86/22/40/385862240.db2.gz ZPMFWODIVUNBLO-LLVKDONJSA-N 2 2 232.393 0.736 20 0 BCADLP CSCC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336720208 385862243 /nfs/dbraw/zinc/86/22/43/385862243.db2.gz ZPMFWODIVUNBLO-LLVKDONJSA-N 2 2 232.393 0.736 20 0 BCADLP Cc1[nH]c(C(=O)NCC2=CC[N@H+](C)CC2)c[nH+]1 ZINC000271938630 385862348 /nfs/dbraw/zinc/86/23/48/385862348.db2.gz WLWDFZWHTHSGJM-UHFFFAOYSA-N 2 2 234.303 0.710 20 0 BCADLP Cc1[nH]c(C(=O)NCC2=CC[N@@H+](C)CC2)c[nH+]1 ZINC000271938630 385862350 /nfs/dbraw/zinc/86/23/50/385862350.db2.gz WLWDFZWHTHSGJM-UHFFFAOYSA-N 2 2 234.303 0.710 20 0 BCADLP C[NH+](C)C1CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000284341750 385863397 /nfs/dbraw/zinc/86/33/97/385863397.db2.gz JKBRHTTZVOKUEC-ONEGZZNKSA-N 2 2 220.276 0.195 20 0 BCADLP Cn1ccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1=O ZINC000647813455 385866027 /nfs/dbraw/zinc/86/60/27/385866027.db2.gz OPCDUQKNVPQKJV-LLVKDONJSA-N 2 2 221.304 0.308 20 0 BCADLP Cn1ccc(C[N@H+]2CCC[C@@H]([NH3+])C2)cc1=O ZINC000647813455 385866031 /nfs/dbraw/zinc/86/60/31/385866031.db2.gz OPCDUQKNVPQKJV-LLVKDONJSA-N 2 2 221.304 0.308 20 0 BCADLP C([C@H]1CC[NH2+]C1)[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814298 385869024 /nfs/dbraw/zinc/86/90/24/385869024.db2.gz HJIAZKYYDMCWDU-NSHDSACASA-N 3 2 223.364 0.812 20 0 BCADLP C([C@H]1CC[NH2+]C1)[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814298 385869027 /nfs/dbraw/zinc/86/90/27/385869027.db2.gz HJIAZKYYDMCWDU-NSHDSACASA-N 3 2 223.364 0.812 20 0 BCADLP C[NH2+][C@@H]1CCC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000647830608 385872049 /nfs/dbraw/zinc/87/20/49/385872049.db2.gz VXJBYCKOCPEVIY-GFCCVEGCSA-N 2 2 235.331 0.569 20 0 BCADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000647830608 385872050 /nfs/dbraw/zinc/87/20/50/385872050.db2.gz VXJBYCKOCPEVIY-GFCCVEGCSA-N 2 2 235.331 0.569 20 0 BCADLP Cn1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])cc1=O ZINC000647827763 385875986 /nfs/dbraw/zinc/87/59/86/385875986.db2.gz YDANAUTWSAQPDW-LBPRGKRZSA-N 2 2 235.331 0.699 20 0 BCADLP Cn1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])cc1=O ZINC000647827763 385875990 /nfs/dbraw/zinc/87/59/90/385875990.db2.gz YDANAUTWSAQPDW-LBPRGKRZSA-N 2 2 235.331 0.699 20 0 BCADLP Cc1nc(C)c(C[NH2+]C[C@](C)(O)C[NH+](C)C)o1 ZINC000647926064 385977541 /nfs/dbraw/zinc/97/75/41/385977541.db2.gz SRIRCPICHRRDQY-LBPRGKRZSA-N 2 2 241.335 0.694 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335021138 385979931 /nfs/dbraw/zinc/97/99/31/385979931.db2.gz CGLUMENDNYUKPP-VXGBXAGGSA-N 3 2 225.380 0.916 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335021138 385979932 /nfs/dbraw/zinc/97/99/32/385979932.db2.gz CGLUMENDNYUKPP-VXGBXAGGSA-N 3 2 225.380 0.916 20 0 BCADLP COc1cccc(C[C@@H](C)[NH2+][C@H]2CC[NH2+]C2)n1 ZINC000414881135 385989393 /nfs/dbraw/zinc/98/93/93/385989393.db2.gz KUKISCWIVLGTOV-PWSUYJOCSA-N 2 2 235.331 0.973 20 0 BCADLP CCN(CC)C(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000647924972 385964254 /nfs/dbraw/zinc/96/42/54/385964254.db2.gz ZMLDOIUSISAOJW-UHFFFAOYSA-N 2 2 227.352 0.668 20 0 BCADLP CC(C)OCCC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647864283 385967108 /nfs/dbraw/zinc/96/71/08/385967108.db2.gz SWTCBGYIJJKWSA-NEPJUHHUSA-N 2 2 230.352 0.850 20 0 BCADLP CC(C)OCCC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647864283 385967114 /nfs/dbraw/zinc/96/71/14/385967114.db2.gz SWTCBGYIJJKWSA-NEPJUHHUSA-N 2 2 230.352 0.850 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CC1([NH+](C)C)CCC1 ZINC000336747441 385971554 /nfs/dbraw/zinc/97/15/54/385971554.db2.gz CLNUIUOZXJJNOH-VIFPVBQESA-N 2 2 213.325 0.324 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@H+](CC[C@H]2CCCCO2)CCO1 ZINC000647865698 385997434 /nfs/dbraw/zinc/99/74/34/385997434.db2.gz QGSVJOXQUJMTDE-YNEHKIRRSA-N 2 2 242.363 0.994 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CC[C@H]2CCCCO2)CCO1 ZINC000647865698 385997442 /nfs/dbraw/zinc/99/74/42/385997442.db2.gz QGSVJOXQUJMTDE-YNEHKIRRSA-N 2 2 242.363 0.994 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@H+](CC[C@@H]2CCCCO2)CCO1 ZINC000647865696 385997874 /nfs/dbraw/zinc/99/78/74/385997874.db2.gz QGSVJOXQUJMTDE-RWMBFGLXSA-N 2 2 242.363 0.994 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CC[C@@H]2CCCCO2)CCO1 ZINC000647865696 385997879 /nfs/dbraw/zinc/99/78/79/385997879.db2.gz QGSVJOXQUJMTDE-RWMBFGLXSA-N 2 2 242.363 0.994 20 0 BCADLP CCC[C@H]([NH3+])c1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000309271422 386001820 /nfs/dbraw/zinc/00/18/20/386001820.db2.gz DDASAFPPLXVCBQ-QMMMGPOBSA-N 2 2 220.280 0.849 20 0 BCADLP CN(C)c1cc[nH+]cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000273439495 386001845 /nfs/dbraw/zinc/00/18/45/386001845.db2.gz ASSHDAJOIBDICT-UHFFFAOYSA-N 2 2 245.286 0.801 20 0 BCADLP CC[C@@H]([NH3+])C[NH2+]Cc1cc(C(=O)OC)co1 ZINC000414974853 386003196 /nfs/dbraw/zinc/00/31/96/386003196.db2.gz FCXPGPRUZGEGDK-SECBINFHSA-N 2 2 226.276 0.893 20 0 BCADLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(C(=O)OC)o1 ZINC000414975046 386005649 /nfs/dbraw/zinc/00/56/49/386005649.db2.gz FPZWVBDLPAQNTB-QMMMGPOBSA-N 2 2 226.276 0.893 20 0 BCADLP Cc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+]C2)n1 ZINC000414881959 386008561 /nfs/dbraw/zinc/00/85/61/386008561.db2.gz LSASKSHSTKWGKG-SECBINFHSA-N 2 2 207.277 0.547 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000336770302 386010916 /nfs/dbraw/zinc/01/09/16/386010916.db2.gz WLHAOUDTFATOSY-UTLUCORTSA-N 2 2 213.325 0.323 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000336770302 386010922 /nfs/dbraw/zinc/01/09/22/386010922.db2.gz WLHAOUDTFATOSY-UTLUCORTSA-N 2 2 213.325 0.323 20 0 BCADLP [NH3+]CC[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000309599019 386018492 /nfs/dbraw/zinc/01/84/92/386018492.db2.gz JLPQZAKRQKITGG-UHFFFAOYSA-N 2 2 206.289 0.752 20 0 BCADLP [NH3+]CC[N@H+]1CCc2ccc(O)cc2CC1 ZINC000309599019 386018494 /nfs/dbraw/zinc/01/84/94/386018494.db2.gz JLPQZAKRQKITGG-UHFFFAOYSA-N 2 2 206.289 0.752 20 0 BCADLP CCn1ncnc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000309761085 386031109 /nfs/dbraw/zinc/03/11/09/386031109.db2.gz MOCIRCYFYXHHFQ-SNVBAGLBSA-N 2 2 225.340 0.585 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC(C)(C)F ZINC000638812962 385996312 /nfs/dbraw/zinc/99/63/12/385996312.db2.gz QAQSZPZMKOIEKW-MRVPVSSYSA-N 2 2 219.304 0.130 20 0 BCADLP O=C1CC[C@@H]2C[N@H+](CCn3cc[nH+]c3)CCN12 ZINC000334455895 386108509 /nfs/dbraw/zinc/10/85/09/386108509.db2.gz XBRZBVMVECZIOW-LLVKDONJSA-N 2 2 234.303 0.190 20 0 BCADLP O=C1CC[C@@H]2C[N@@H+](CCn3cc[nH+]c3)CCN12 ZINC000334455895 386108517 /nfs/dbraw/zinc/10/85/17/386108517.db2.gz XBRZBVMVECZIOW-LLVKDONJSA-N 2 2 234.303 0.190 20 0 BCADLP C[C@@H](C[NH+](C)C)NC(=O)CCn1cc[nH+]c1 ZINC000287335046 386113771 /nfs/dbraw/zinc/11/37/71/386113771.db2.gz YHHRELCZBOZRLT-JTQLQIEISA-N 2 2 224.308 0.340 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000415380582 386068375 /nfs/dbraw/zinc/06/83/75/386068375.db2.gz HDFXVFFQUXTQOS-SNVBAGLBSA-N 2 2 234.303 0.671 20 0 BCADLP CCC[N@H+](C)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000345224978 386074015 /nfs/dbraw/zinc/07/40/15/386074015.db2.gz UNMGKQJDVAXNAK-UHFFFAOYSA-N 2 2 224.308 0.410 20 0 BCADLP CCC[N@@H+](C)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000345224978 386074019 /nfs/dbraw/zinc/07/40/19/386074019.db2.gz UNMGKQJDVAXNAK-UHFFFAOYSA-N 2 2 224.308 0.410 20 0 BCADLP CC[C@H]([NH3+])CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000415397136 386074154 /nfs/dbraw/zinc/07/41/54/386074154.db2.gz PAALLPCQBIGRAH-VIFPVBQESA-N 2 2 222.292 0.671 20 0 BCADLP CCc1nc(NC[C@H]2COCC[NH2+]2)cc(C)[nH+]1 ZINC000310284501 386169102 /nfs/dbraw/zinc/16/91/02/386169102.db2.gz ZPBIZYVHDQPFLR-JTQLQIEISA-N 2 2 236.319 0.748 20 0 BCADLP CC[C@@](C)(C[NH2+]CC[N@H+](C)CCOC)OC ZINC000319827977 386190859 /nfs/dbraw/zinc/19/08/59/386190859.db2.gz IUOIZNYQTBWWGZ-LBPRGKRZSA-N 2 2 232.368 0.969 20 0 BCADLP CC[C@@](C)(C[NH2+]CC[N@@H+](C)CCOC)OC ZINC000319827977 386190863 /nfs/dbraw/zinc/19/08/63/386190863.db2.gz IUOIZNYQTBWWGZ-LBPRGKRZSA-N 2 2 232.368 0.969 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000414689502 386178486 /nfs/dbraw/zinc/17/84/86/386178486.db2.gz FSYUYSVBWBOYCZ-QWHCGFSZSA-N 2 2 244.379 0.833 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000414689502 386178489 /nfs/dbraw/zinc/17/84/89/386178489.db2.gz FSYUYSVBWBOYCZ-QWHCGFSZSA-N 2 2 244.379 0.833 20 0 BCADLP COC(=O)c1coc(C[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000414895278 386183130 /nfs/dbraw/zinc/18/31/30/386183130.db2.gz WPKYCQIZAPLROB-LLVKDONJSA-N 2 2 238.287 0.893 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)CC(C)(CO)CO ZINC000414691907 386187385 /nfs/dbraw/zinc/18/73/85/386187385.db2.gz CCUBDVWFQCHLLA-LLVKDONJSA-N 2 2 232.368 0.283 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)CC(C)(CO)CO ZINC000414691907 386187388 /nfs/dbraw/zinc/18/73/88/386187388.db2.gz CCUBDVWFQCHLLA-LLVKDONJSA-N 2 2 232.368 0.283 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC=C(C)CC1 ZINC000647969427 386188492 /nfs/dbraw/zinc/18/84/92/386188492.db2.gz XUEVUCGSZGSTRS-GFCCVEGCSA-N 2 2 212.337 0.951 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC=C(C)CC1 ZINC000647969427 386188495 /nfs/dbraw/zinc/18/84/95/386188495.db2.gz XUEVUCGSZGSTRS-GFCCVEGCSA-N 2 2 212.337 0.951 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC=C(C)CC1 ZINC000647969427 386188500 /nfs/dbraw/zinc/18/85/00/386188500.db2.gz XUEVUCGSZGSTRS-GFCCVEGCSA-N 2 2 212.337 0.951 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC=C(C)CC1 ZINC000647969427 386188503 /nfs/dbraw/zinc/18/85/03/386188503.db2.gz XUEVUCGSZGSTRS-GFCCVEGCSA-N 2 2 212.337 0.951 20 0 BCADLP CC[C@@H](C(=O)N1CC[NH+](C)CC1)[NH+](CC)CC ZINC000345848732 386126102 /nfs/dbraw/zinc/12/61/02/386126102.db2.gz PZPNBNUDZQPXDI-LBPRGKRZSA-N 2 2 241.379 0.881 20 0 BCADLP C[N@@H+](CCNC(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000287693912 386142073 /nfs/dbraw/zinc/14/20/73/386142073.db2.gz ZONXIMZJPVYHLY-UHFFFAOYSA-N 2 2 236.319 0.553 20 0 BCADLP C[C@H]1C[N@H+](CC(C)(C)[NH3+])C[C@H]1N1CCOCC1 ZINC000346980573 386204051 /nfs/dbraw/zinc/20/40/51/386204051.db2.gz LZZJIFJLCJDXJO-NWDGAFQWSA-N 2 2 241.379 0.376 20 0 BCADLP C[C@H]1C[N@@H+](CC(C)(C)[NH3+])C[C@H]1N1CCOCC1 ZINC000346980573 386204056 /nfs/dbraw/zinc/20/40/56/386204056.db2.gz LZZJIFJLCJDXJO-NWDGAFQWSA-N 2 2 241.379 0.376 20 0 BCADLP C[C@@H](C[NH2+]Cc1ccn(C)n1)C[NH+](C)C ZINC000291768170 386213501 /nfs/dbraw/zinc/21/35/01/386213501.db2.gz SMGIWYLSMFXUTB-JTQLQIEISA-N 2 2 210.325 0.707 20 0 BCADLP C[NH+](C)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000288555115 386214392 /nfs/dbraw/zinc/21/43/92/386214392.db2.gz QTEBECMZVXRUBR-UHFFFAOYSA-N 2 2 222.292 0.115 20 0 BCADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000414710391 386227631 /nfs/dbraw/zinc/22/76/31/386227631.db2.gz QUOJOTGLPLVLQF-LLVKDONJSA-N 2 2 241.379 0.962 20 0 BCADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000414710391 386227633 /nfs/dbraw/zinc/22/76/33/386227633.db2.gz QUOJOTGLPLVLQF-LLVKDONJSA-N 2 2 241.379 0.962 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](CCO)C1CC1 ZINC000289017131 386252481 /nfs/dbraw/zinc/25/24/81/386252481.db2.gz AJYQMUIEDGVYDP-UHFFFAOYSA-N 2 2 209.293 0.419 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](CCO)C1CC1 ZINC000289017131 386252484 /nfs/dbraw/zinc/25/24/84/386252484.db2.gz AJYQMUIEDGVYDP-UHFFFAOYSA-N 2 2 209.293 0.419 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cnc(N(C)C)nc2)C1 ZINC000347106110 386252741 /nfs/dbraw/zinc/25/27/41/386252741.db2.gz NYIYEGWQNCHMCK-NSHDSACASA-N 2 2 249.362 0.584 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cnc(N(C)C)nc2)C1 ZINC000347106110 386252744 /nfs/dbraw/zinc/25/27/44/386252744.db2.gz NYIYEGWQNCHMCK-NSHDSACASA-N 2 2 249.362 0.584 20 0 BCADLP C[C@](C[NH3+])([NH2+]CC(=O)N1CCCCC1)C1CC1 ZINC000430541620 386256621 /nfs/dbraw/zinc/25/66/21/386256621.db2.gz BQURVGJSNRVPOT-CYBMUJFWSA-N 2 2 239.363 0.716 20 0 BCADLP CSCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000336664050 386284297 /nfs/dbraw/zinc/28/42/97/386284297.db2.gz DRYKRLMHUUKCCO-UHFFFAOYSA-N 2 2 240.376 0.905 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)CCOCCO ZINC000414738059 386317068 /nfs/dbraw/zinc/31/70/68/386317068.db2.gz BDXVUEXEHZBGMR-LLVKDONJSA-N 2 2 218.341 0.301 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)CCOCCO ZINC000414738059 386317071 /nfs/dbraw/zinc/31/70/71/386317071.db2.gz BDXVUEXEHZBGMR-LLVKDONJSA-N 2 2 218.341 0.301 20 0 BCADLP C[C@@H](O)CC[N@H+](C)CCc1c[nH+]cn1C ZINC000289510069 386320401 /nfs/dbraw/zinc/32/04/01/386320401.db2.gz FJMVGLFRWIXRJF-SNVBAGLBSA-N 2 2 211.309 0.665 20 0 BCADLP C[C@@H](O)CC[N@@H+](C)CCc1c[nH+]cn1C ZINC000289510069 386320402 /nfs/dbraw/zinc/32/04/02/386320402.db2.gz FJMVGLFRWIXRJF-SNVBAGLBSA-N 2 2 211.309 0.665 20 0 BCADLP COC(=O)[C@@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000289510091 386321063 /nfs/dbraw/zinc/32/10/63/386321063.db2.gz FKANLYWFZDONIO-NSHDSACASA-N 2 2 237.303 0.600 20 0 BCADLP COC(=O)[C@@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000289510091 386321070 /nfs/dbraw/zinc/32/10/70/386321070.db2.gz FKANLYWFZDONIO-NSHDSACASA-N 2 2 237.303 0.600 20 0 BCADLP CCC[C@@]1(C)C(=O)NCC[N@H+]1CCC[NH3+] ZINC000414739045 386321649 /nfs/dbraw/zinc/32/16/49/386321649.db2.gz IRZRDTLTPDXOTF-NSHDSACASA-N 2 2 213.325 0.326 20 0 BCADLP CCC[C@@]1(C)C(=O)NCC[N@@H+]1CCC[NH3+] ZINC000414739045 386321654 /nfs/dbraw/zinc/32/16/54/386321654.db2.gz IRZRDTLTPDXOTF-NSHDSACASA-N 2 2 213.325 0.326 20 0 BCADLP Cc1cnc(C[N@@H+](C)C2CC[NH2+]CC2)cn1 ZINC000347153395 386263747 /nfs/dbraw/zinc/26/37/47/386263747.db2.gz CGEJNZSVQKVEOY-UHFFFAOYSA-N 2 2 220.320 0.969 20 0 BCADLP Cc1cnc(C[N@H+](C)C2CC[NH2+]CC2)cn1 ZINC000347153395 386263751 /nfs/dbraw/zinc/26/37/51/386263751.db2.gz CGEJNZSVQKVEOY-UHFFFAOYSA-N 2 2 220.320 0.969 20 0 BCADLP C[NH+](C)CCCCNC(=O)CCn1cc[nH+]c1 ZINC000264733329 386266212 /nfs/dbraw/zinc/26/62/12/386266212.db2.gz FKEATGWOSODLAA-UHFFFAOYSA-N 2 2 238.335 0.731 20 0 BCADLP Cc1[nH]c(C(=O)NCC[N@@H+](C)C2CC2)c[nH+]1 ZINC000264726994 386268120 /nfs/dbraw/zinc/26/81/20/386268120.db2.gz PZQKEENBNURJOD-UHFFFAOYSA-N 2 2 222.292 0.542 20 0 BCADLP Cc1[nH]c(C(=O)NCC[N@H+](C)C2CC2)c[nH+]1 ZINC000264726994 386268125 /nfs/dbraw/zinc/26/81/25/386268125.db2.gz PZQKEENBNURJOD-UHFFFAOYSA-N 2 2 222.292 0.542 20 0 BCADLP CC(C)(C)[NH2+]CC[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000414746305 386343050 /nfs/dbraw/zinc/34/30/50/386343050.db2.gz SENAVONDPLWPCI-JTQLQIEISA-N 2 2 212.337 0.831 20 0 BCADLP CC(C)(C)[NH2+]CC[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000414746305 386343056 /nfs/dbraw/zinc/34/30/56/386343056.db2.gz SENAVONDPLWPCI-JTQLQIEISA-N 2 2 212.337 0.831 20 0 BCADLP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000289692339 386343840 /nfs/dbraw/zinc/34/38/40/386343840.db2.gz BCZXQUVXLTUAHE-GXSJLCMTSA-N 2 2 236.319 0.660 20 0 BCADLP C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC[NH2+]C(C)(C)C ZINC000414747477 386354424 /nfs/dbraw/zinc/35/44/24/386354424.db2.gz UHICTVGWAUYEPI-ZJUUUORDSA-N 2 2 227.352 0.489 20 0 BCADLP COC[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000647989560 386358959 /nfs/dbraw/zinc/35/89/59/386358959.db2.gz FWAMJZBOYSRFAD-SRVKXCTJSA-N 2 2 228.336 0.332 20 0 BCADLP COC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000647989560 386358962 /nfs/dbraw/zinc/35/89/62/386358962.db2.gz FWAMJZBOYSRFAD-SRVKXCTJSA-N 2 2 228.336 0.332 20 0 BCADLP CN(C)c1ncc(C[N@H+](C)C[C@H]2CC[NH2+]C2)cn1 ZINC000647989619 386362609 /nfs/dbraw/zinc/36/26/09/386362609.db2.gz OESLUIOCUNXMNJ-NSHDSACASA-N 2 2 249.362 0.584 20 0 BCADLP CN(C)c1ncc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)cn1 ZINC000647989619 386362613 /nfs/dbraw/zinc/36/26/13/386362613.db2.gz OESLUIOCUNXMNJ-NSHDSACASA-N 2 2 249.362 0.584 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCc2cn(C)c[nH+]2)CO1 ZINC000401915327 386371071 /nfs/dbraw/zinc/37/10/71/386371071.db2.gz WHVPTKTUVUOEJW-ONGXEEELSA-N 2 2 209.293 0.730 20 0 BCADLP OCC1([NH2+]CC[NH+]2CCCCC2)CCOCC1 ZINC000347373645 386371728 /nfs/dbraw/zinc/37/17/28/386371728.db2.gz XXDTWDXJWMQIBL-UHFFFAOYSA-N 2 2 242.363 0.603 20 0 BCADLP CC[C@H]([NH3+])C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000236908022 386326066 /nfs/dbraw/zinc/32/60/66/386326066.db2.gz LBVXRKSMTZVEIW-UWVGGRQHSA-N 2 2 224.308 0.373 20 0 BCADLP CC(C)C[C@@H]([NH3+])CN1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000414742735 386329246 /nfs/dbraw/zinc/32/92/46/386329246.db2.gz NUUWVIKKGBTPGF-OLZOCXBDSA-N 2 2 241.379 0.376 20 0 BCADLP CC(C)C[C@@H]([NH3+])CN1CC[N@H+]2CCOC[C@@H]2C1 ZINC000414742735 386329248 /nfs/dbraw/zinc/32/92/48/386329248.db2.gz NUUWVIKKGBTPGF-OLZOCXBDSA-N 2 2 241.379 0.376 20 0 BCADLP CC(C)C[C@H]([NH3+])CN1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000414742741 386330179 /nfs/dbraw/zinc/33/01/79/386330179.db2.gz NUUWVIKKGBTPGF-STQMWFEESA-N 2 2 241.379 0.376 20 0 BCADLP CC(C)C[C@H]([NH3+])CN1CC[N@H+]2CCOC[C@@H]2C1 ZINC000414742741 386330188 /nfs/dbraw/zinc/33/01/88/386330188.db2.gz NUUWVIKKGBTPGF-STQMWFEESA-N 2 2 241.379 0.376 20 0 BCADLP COC[C@H](CO)[NH2+]CCCc1c[nH+]ccc1C ZINC000289585739 386330381 /nfs/dbraw/zinc/33/03/81/386330381.db2.gz IFYRDWJBYNBJIV-ZDUSSCGKSA-N 2 2 238.331 0.920 20 0 BCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(OC)C1 ZINC000347340381 386335595 /nfs/dbraw/zinc/33/55/95/386335595.db2.gz ODRLDNNJRVBECZ-CPCZMJQVSA-N 2 2 242.363 0.864 20 0 BCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C1CC(OC)C1 ZINC000347340381 386335600 /nfs/dbraw/zinc/33/56/00/386335600.db2.gz ODRLDNNJRVBECZ-CPCZMJQVSA-N 2 2 242.363 0.864 20 0 BCADLP COC[C@@H](C)[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336718414 386440056 /nfs/dbraw/zinc/44/00/56/386440056.db2.gz DKBLIFVGFVREMD-LLVKDONJSA-N 2 2 238.335 0.562 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000519425616 386442490 /nfs/dbraw/zinc/44/24/90/386442490.db2.gz YYINDPNPXSQRSV-ZBOXLXRLSA-N 2 2 239.363 0.666 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000519425616 386442496 /nfs/dbraw/zinc/44/24/96/386442496.db2.gz YYINDPNPXSQRSV-ZBOXLXRLSA-N 2 2 239.363 0.666 20 0 BCADLP Cc1[nH+]cc(C[NH2+]Cc2cnc(C)[nH]c2=O)n1C ZINC000519426911 386444075 /nfs/dbraw/zinc/44/40/75/386444075.db2.gz RYMFVFBWEAINRI-UHFFFAOYSA-N 2 2 247.302 0.822 20 0 BCADLP [NH3+]CCNC(=O)NCCCNc1cccc[nH+]1 ZINC000417080338 386449156 /nfs/dbraw/zinc/44/91/56/386449156.db2.gz OPOJGFXXJLOKKB-UHFFFAOYSA-N 2 2 237.307 0.142 20 0 BCADLP Cc1ccc2[nH+]cc(CN(CC[NH3+])CCO)n2c1 ZINC000414907108 386387888 /nfs/dbraw/zinc/38/78/88/386387888.db2.gz DDTKCJCIENEAQJ-UHFFFAOYSA-N 2 2 248.330 0.396 20 0 BCADLP COC(=O)[C@@H](C)C[N@H+](C)CCc1c[nH+]cn1C ZINC000290043964 386388276 /nfs/dbraw/zinc/38/82/76/386388276.db2.gz OFSUDQNYDOCGOW-JTQLQIEISA-N 2 2 239.319 0.704 20 0 BCADLP COC(=O)[C@@H](C)C[N@@H+](C)CCc1c[nH+]cn1C ZINC000290043964 386388278 /nfs/dbraw/zinc/38/82/78/386388278.db2.gz OFSUDQNYDOCGOW-JTQLQIEISA-N 2 2 239.319 0.704 20 0 BCADLP CO[C@@H](C[NH3+])C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000290077522 386390923 /nfs/dbraw/zinc/39/09/23/386390923.db2.gz IRAVHAZKVYTLBR-JTQLQIEISA-N 2 2 248.286 0.555 20 0 BCADLP Cn1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cn1 ZINC000335279965 386395176 /nfs/dbraw/zinc/39/51/76/386395176.db2.gz KNLSVDJXRFFGEZ-GHMZBOCLSA-N 2 2 208.309 0.780 20 0 BCADLP CCOCCC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000166088624 386398986 /nfs/dbraw/zinc/39/89/86/386398986.db2.gz JPKUEXNTIBMUFU-RYUDHWBXSA-N 2 2 230.352 0.770 20 0 BCADLP CCN(CC)C(=O)C1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000442651729 386400009 /nfs/dbraw/zinc/40/00/09/386400009.db2.gz RMSDVGOVTWTYTC-LLVKDONJSA-N 2 2 241.379 0.914 20 0 BCADLP COC[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CCO1 ZINC000290156599 386401000 /nfs/dbraw/zinc/40/10/00/386401000.db2.gz XCSSECXTXZXAPV-LBPRGKRZSA-N 2 2 239.319 0.310 20 0 BCADLP COC[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CCO1 ZINC000290156599 386401002 /nfs/dbraw/zinc/40/10/02/386401002.db2.gz XCSSECXTXZXAPV-LBPRGKRZSA-N 2 2 239.319 0.310 20 0 BCADLP C[C@]1(C(=O)Nc2ccc(N)[nH+]c2)CCC[NH2+]C1 ZINC000237772713 386408589 /nfs/dbraw/zinc/40/85/89/386408589.db2.gz XDGUMJJWDWXDFI-LBPRGKRZSA-N 2 2 234.303 0.992 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000414762408 386425612 /nfs/dbraw/zinc/42/56/12/386425612.db2.gz LBOWGQRLQKYQGK-IJLUTSLNSA-N 2 2 239.363 0.570 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000414762408 386425618 /nfs/dbraw/zinc/42/56/18/386425618.db2.gz LBOWGQRLQKYQGK-IJLUTSLNSA-N 2 2 239.363 0.570 20 0 BCADLP Cc1cccn2c(C[NH2+]C[C@@H](O)CO)c[nH+]c12 ZINC000347510798 386427990 /nfs/dbraw/zinc/42/79/90/386427990.db2.gz WZSMOQWXHRLRKT-LLVKDONJSA-N 2 2 235.287 0.086 20 0 BCADLP C[NH2+]CC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000430705807 386434656 /nfs/dbraw/zinc/43/46/56/386434656.db2.gz SEBFCMFQSJIZLI-UHFFFAOYSA-N 2 2 236.319 0.098 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000299569256 386467618 /nfs/dbraw/zinc/46/76/18/386467618.db2.gz TYPWTGDRTDZLPE-MNOVXSKESA-N 2 2 236.319 0.482 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000299569256 386467622 /nfs/dbraw/zinc/46/76/22/386467622.db2.gz TYPWTGDRTDZLPE-MNOVXSKESA-N 2 2 236.319 0.482 20 0 BCADLP Cc1c[nH+]c(CN[C@H](C)C[NH+](C)C)n1C ZINC000336735512 386469843 /nfs/dbraw/zinc/46/98/43/386469843.db2.gz OIXXWQYDWWBOKQ-SECBINFHSA-N 2 2 210.325 0.768 20 0 BCADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccno2)CC1 ZINC000266908244 386480077 /nfs/dbraw/zinc/48/00/77/386480077.db2.gz IJEAOMUPKDUPJC-UHFFFAOYSA-N 2 2 247.302 0.730 20 0 BCADLP CO[C@H](C[NH3+])C(=O)Nc1cc[nH+]c(C)c1 ZINC000227390437 386482226 /nfs/dbraw/zinc/48/22/26/386482226.db2.gz MNHSLBMSCAJJSZ-SECBINFHSA-N 2 2 209.249 0.302 20 0 BCADLP C[C@@H]([NH2+]CC(=O)NCC(F)F)[C@H]1CCCC[NH2+]1 ZINC000393699023 386484864 /nfs/dbraw/zinc/48/48/64/386484864.db2.gz ANIIGYFUWFFDHP-RKDXNWHRSA-N 2 2 249.305 0.488 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C[N@@H+](C)C(C)C ZINC000267071602 386492479 /nfs/dbraw/zinc/49/24/79/386492479.db2.gz BGILVKGLEFGSEH-UHFFFAOYSA-N 2 2 224.308 0.675 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C[N@H+](C)C(C)C ZINC000267071602 386492485 /nfs/dbraw/zinc/49/24/85/386492485.db2.gz BGILVKGLEFGSEH-UHFFFAOYSA-N 2 2 224.308 0.675 20 0 BCADLP C[NH+](C)C1(C[NH2+][C@H]2CCC(=O)NC2(C)C)CC1 ZINC000417355821 386493738 /nfs/dbraw/zinc/49/37/38/386493738.db2.gz OKJBWJUDUWZDDU-JTQLQIEISA-N 2 2 239.363 0.727 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](C)C1 ZINC000415020030 386508811 /nfs/dbraw/zinc/50/88/11/386508811.db2.gz APZXROIHRNQVDO-BNDIWNMDSA-N 3 2 223.364 0.524 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](C)C1 ZINC000415020030 386508816 /nfs/dbraw/zinc/50/88/16/386508816.db2.gz APZXROIHRNQVDO-BNDIWNMDSA-N 3 2 223.364 0.524 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H](C)CC[NH+](C)C)c[nH+]1 ZINC000267200034 386510050 /nfs/dbraw/zinc/51/00/50/386510050.db2.gz LIIQMWUBTFTEAV-MRVPVSSYSA-N 2 2 224.308 0.788 20 0 BCADLP [NH3+]CCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000519644111 386511628 /nfs/dbraw/zinc/51/16/28/386511628.db2.gz LGNABZQGGIZCNA-UHFFFAOYSA-N 2 2 245.286 0.346 20 0 BCADLP Cc1cn[nH]c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000335449145 386516321 /nfs/dbraw/zinc/51/63/21/386516321.db2.gz VZLBNUHJATURER-UWVGGRQHSA-N 2 2 208.309 0.887 20 0 BCADLP Cc1cn[nH]c1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000335449145 386516324 /nfs/dbraw/zinc/51/63/24/386516324.db2.gz VZLBNUHJATURER-UWVGGRQHSA-N 2 2 208.309 0.887 20 0 BCADLP Cc1c[nH]nc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000335449145 386516326 /nfs/dbraw/zinc/51/63/26/386516326.db2.gz VZLBNUHJATURER-UWVGGRQHSA-N 2 2 208.309 0.887 20 0 BCADLP Cc1c[nH]nc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000335449145 386516331 /nfs/dbraw/zinc/51/63/31/386516331.db2.gz VZLBNUHJATURER-UWVGGRQHSA-N 2 2 208.309 0.887 20 0 BCADLP Cc1cn[nH]c1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000335448059 386517137 /nfs/dbraw/zinc/51/71/37/386517137.db2.gz LHUDGYUEKGMEDO-LLVKDONJSA-N 2 2 208.309 0.889 20 0 BCADLP Cc1cn[nH]c1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000335448059 386517141 /nfs/dbraw/zinc/51/71/41/386517141.db2.gz LHUDGYUEKGMEDO-LLVKDONJSA-N 2 2 208.309 0.889 20 0 BCADLP Cc1c[nH]nc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000335448059 386517143 /nfs/dbraw/zinc/51/71/43/386517143.db2.gz LHUDGYUEKGMEDO-LLVKDONJSA-N 2 2 208.309 0.889 20 0 BCADLP Cc1c[nH]nc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000335448059 386517149 /nfs/dbraw/zinc/51/71/49/386517149.db2.gz LHUDGYUEKGMEDO-LLVKDONJSA-N 2 2 208.309 0.889 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000227861540 386521027 /nfs/dbraw/zinc/52/10/27/386521027.db2.gz DPDOFVATAXKGGA-OUAUKWLOSA-N 2 2 236.319 0.515 20 0 BCADLP CN(C)c1cc(NC(=O)C[NH+](C)C)cc[nH+]1 ZINC000267280386 386522008 /nfs/dbraw/zinc/52/20/08/386522008.db2.gz VNPMCWDPDXCIQJ-UHFFFAOYSA-N 2 2 222.292 0.648 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CNc3ccnn3C2)C1 ZINC000648043831 386525307 /nfs/dbraw/zinc/52/53/07/386525307.db2.gz ISRIPMYCURAOFO-NWDGAFQWSA-N 2 2 249.362 0.609 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2CNc3ccnn3C2)C1 ZINC000648043831 386525313 /nfs/dbraw/zinc/52/53/13/386525313.db2.gz ISRIPMYCURAOFO-NWDGAFQWSA-N 2 2 249.362 0.609 20 0 BCADLP CC(C)C[C@H]([NH3+])C[NH2+][C@H]1CCN(C(C)C)C1=O ZINC000415076682 386577404 /nfs/dbraw/zinc/57/74/04/386577404.db2.gz DIDPBNKMYMGYSH-RYUDHWBXSA-N 2 2 241.379 0.959 20 0 BCADLP C[NH+](C)C/C=C/C(=O)N1CCn2c[nH+]cc2C1 ZINC000291825092 386587101 /nfs/dbraw/zinc/58/71/01/386587101.db2.gz FGQGDBJQOULIPP-ONEGZZNKSA-N 2 2 234.303 0.343 20 0 BCADLP CC1(C)C[N@H+](CCN[C@H]2CC[NH2+]C2)CCO1 ZINC000415079107 386589281 /nfs/dbraw/zinc/58/92/81/386589281.db2.gz HOHIOIDNVQSFRA-NSHDSACASA-N 2 2 227.352 0.049 20 0 BCADLP CC1(C)C[N@@H+](CCN[C@H]2CC[NH2+]C2)CCO1 ZINC000415079107 386589287 /nfs/dbraw/zinc/58/92/87/386589287.db2.gz HOHIOIDNVQSFRA-NSHDSACASA-N 2 2 227.352 0.049 20 0 BCADLP CC1(C)CN(CC[NH2+][C@H]2CC[NH2+]C2)CCO1 ZINC000415079107 386589292 /nfs/dbraw/zinc/58/92/92/386589292.db2.gz HOHIOIDNVQSFRA-NSHDSACASA-N 2 2 227.352 0.049 20 0 BCADLP CCCCC[N@H+](CCO)Cc1noc(C[NH3+])n1 ZINC000337042972 386592870 /nfs/dbraw/zinc/59/28/70/386592870.db2.gz CQHLHZYVOGRYGT-UHFFFAOYSA-N 2 2 242.323 0.513 20 0 BCADLP CCCCC[N@@H+](CCO)Cc1noc(C[NH3+])n1 ZINC000337042972 386592875 /nfs/dbraw/zinc/59/28/75/386592875.db2.gz CQHLHZYVOGRYGT-UHFFFAOYSA-N 2 2 242.323 0.513 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C[NH+](C)C)C1 ZINC000339726492 386534631 /nfs/dbraw/zinc/53/46/31/386534631.db2.gz WYNOFHWRLPSDMB-JTQLQIEISA-N 2 2 236.319 0.298 20 0 BCADLP Cc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)nn1C ZINC000414789582 386535159 /nfs/dbraw/zinc/53/51/59/386535159.db2.gz FJEYVTJORZDFGJ-LLVKDONJSA-N 2 2 210.325 0.801 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@]1(C)C[NH3+] ZINC000415057637 386538689 /nfs/dbraw/zinc/53/86/89/386538689.db2.gz QMPDMINUEQGIOT-FRRDWIJNSA-N 3 2 225.380 0.903 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@]1(C)C[NH3+] ZINC000415057637 386538694 /nfs/dbraw/zinc/53/86/94/386538694.db2.gz QMPDMINUEQGIOT-FRRDWIJNSA-N 3 2 225.380 0.903 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000519706732 386539680 /nfs/dbraw/zinc/53/96/80/386539680.db2.gz JJSRDIUZSAUGHK-VIFPVBQESA-N 2 2 237.307 0.303 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000519706732 386539685 /nfs/dbraw/zinc/53/96/85/386539685.db2.gz JJSRDIUZSAUGHK-VIFPVBQESA-N 2 2 237.307 0.303 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000399385789 386540443 /nfs/dbraw/zinc/54/04/43/386540443.db2.gz QDLDQPQVVSXYSO-KCJUWKMLSA-N 2 2 238.335 0.954 20 0 BCADLP CC1(C(=O)N2CCC(n3cc[nH+]c3)CC2)C[NH2+]C1 ZINC000335461112 386543304 /nfs/dbraw/zinc/54/33/04/386543304.db2.gz DXSDRKCTFFATBP-UHFFFAOYSA-N 2 2 248.330 0.656 20 0 BCADLP C[NH+](C)C1(C[NH2+]C[C@@H]2CNc3ccnn3C2)CC1 ZINC000648044637 386544496 /nfs/dbraw/zinc/54/44/96/386544496.db2.gz OQWPPXKTCSHICM-LLVKDONJSA-N 2 2 249.362 0.609 20 0 BCADLP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415068077 386549339 /nfs/dbraw/zinc/54/93/39/386549339.db2.gz VDZNMZDYHJTLEP-RNWYCLNJSA-N 3 2 209.337 0.324 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCN1CCOCC1 ZINC000063196022 386552962 /nfs/dbraw/zinc/55/29/62/386552962.db2.gz QLDZJGCITVNLNU-STQMWFEESA-N 2 2 241.379 0.520 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCN1CCOCC1 ZINC000063196022 386552965 /nfs/dbraw/zinc/55/29/65/386552965.db2.gz QLDZJGCITVNLNU-STQMWFEESA-N 2 2 241.379 0.520 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCCCN1CC[NH+]1CCOCC1 ZINC000063196022 386552968 /nfs/dbraw/zinc/55/29/68/386552968.db2.gz QLDZJGCITVNLNU-STQMWFEESA-N 2 2 241.379 0.520 20 0 BCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1[nH+]ccn1C ZINC000519774468 386554384 /nfs/dbraw/zinc/55/43/84/386554384.db2.gz RWSXZAXUDBZXLJ-DTWKUNHWSA-N 2 2 239.323 0.345 20 0 BCADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cnc(N(C)C)nc1 ZINC000414802801 386597613 /nfs/dbraw/zinc/59/76/13/386597613.db2.gz VYAVVWXEVIWPIM-LLVKDONJSA-N 2 2 237.351 0.616 20 0 BCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415071845 386562622 /nfs/dbraw/zinc/56/26/22/386562622.db2.gz LAATYLDXYGCOLX-WDEREUQCSA-N 2 2 248.392 0.541 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CCCNc1cccc[nH+]1 ZINC000267613519 386562726 /nfs/dbraw/zinc/56/27/26/386562726.db2.gz RYNBQQYXQNRYPN-JTQLQIEISA-N 2 2 236.319 0.737 20 0 BCADLP O=C1NCC[C@@H]1[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904042 386564854 /nfs/dbraw/zinc/56/48/54/386564854.db2.gz VJHRPTWLILMQII-TUAOUCFPSA-N 2 2 237.347 0.339 20 0 BCADLP O=C1NCC[C@@H]1[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904042 386564856 /nfs/dbraw/zinc/56/48/56/386564856.db2.gz VJHRPTWLILMQII-TUAOUCFPSA-N 2 2 237.347 0.339 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000519830989 386565813 /nfs/dbraw/zinc/56/58/13/386565813.db2.gz ZBUAEQQKHIGLRY-QWHCGFSZSA-N 3 2 225.380 0.917 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000519830989 386565820 /nfs/dbraw/zinc/56/58/20/386565820.db2.gz ZBUAEQQKHIGLRY-QWHCGFSZSA-N 3 2 225.380 0.917 20 0 BCADLP C(C[NH+]1CCOCC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000123545404 386567644 /nfs/dbraw/zinc/56/76/44/386567644.db2.gz ZTJQNQGSUVYEGU-OLZOCXBDSA-N 2 2 239.363 0.145 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H]1CCCOCC1 ZINC000336780772 386570145 /nfs/dbraw/zinc/57/01/45/386570145.db2.gz SAKOPURGMBPRLY-LBPRGKRZSA-N 2 2 230.352 0.459 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CCCOCC1 ZINC000336780772 386570151 /nfs/dbraw/zinc/57/01/51/386570151.db2.gz SAKOPURGMBPRLY-LBPRGKRZSA-N 2 2 230.352 0.459 20 0 BCADLP C[N@H+](C[C@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647903659 386570240 /nfs/dbraw/zinc/57/02/40/386570240.db2.gz NWTRJQWEOYPQGD-ACJTYDJDSA-N 3 2 223.364 0.811 20 0 BCADLP C[N@@H+](C[C@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647903659 386570245 /nfs/dbraw/zinc/57/02/45/386570245.db2.gz NWTRJQWEOYPQGD-ACJTYDJDSA-N 3 2 223.364 0.811 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000335410335 386573903 /nfs/dbraw/zinc/57/39/03/386573903.db2.gz PTNBHHNJWQFGAQ-VIFPVBQESA-N 2 2 222.292 0.448 20 0 BCADLP Cc1ccc(C[C@@H](CO)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000415110332 386621122 /nfs/dbraw/zinc/62/11/22/386621122.db2.gz SNPVQRQSHILTGA-KGLIPLIRSA-N 2 2 234.343 0.850 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000415109787 386622043 /nfs/dbraw/zinc/62/20/43/386622043.db2.gz MJFWXPMKVCHTKL-NWDGAFQWSA-N 2 2 230.352 0.179 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@](O)(CO)C1 ZINC000415109787 386622045 /nfs/dbraw/zinc/62/20/45/386622045.db2.gz MJFWXPMKVCHTKL-NWDGAFQWSA-N 2 2 230.352 0.179 20 0 BCADLP COC(=O)c1coc(C[NH2+]CC(C)(C)[NH3+])c1 ZINC000414808858 386624067 /nfs/dbraw/zinc/62/40/67/386624067.db2.gz UNDYMNPOBWQBON-UHFFFAOYSA-N 2 2 226.276 0.893 20 0 BCADLP C[N@H+](CC[NH3+])Cc1ccc(-n2cncn2)cc1 ZINC000415102322 386624778 /nfs/dbraw/zinc/62/47/78/386624778.db2.gz DNCMQGRFOQXHOU-UHFFFAOYSA-N 2 2 231.303 0.658 20 0 BCADLP C[N@@H+](CC[NH3+])Cc1ccc(-n2cncn2)cc1 ZINC000415102322 386624784 /nfs/dbraw/zinc/62/47/84/386624784.db2.gz DNCMQGRFOQXHOU-UHFFFAOYSA-N 2 2 231.303 0.658 20 0 BCADLP c1c(CC[NH2+][C@H]2CC[NH2+]C2)nc2ccccn12 ZINC000415106743 386626484 /nfs/dbraw/zinc/62/64/84/386626484.db2.gz NFTIFPUHNIHJQS-NSHDSACASA-N 2 2 230.315 0.828 20 0 BCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH+](C)C ZINC000292353507 386655646 /nfs/dbraw/zinc/65/56/46/386655646.db2.gz LDNXUKKILQBAFY-LLVKDONJSA-N 2 2 238.335 0.587 20 0 BCADLP C[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000415138972 386631885 /nfs/dbraw/zinc/63/18/85/386631885.db2.gz ZJULGMKNBGSMDW-FRRDWIJNSA-N 3 2 225.380 0.903 20 0 BCADLP C[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000415138972 386631889 /nfs/dbraw/zinc/63/18/89/386631889.db2.gz ZJULGMKNBGSMDW-FRRDWIJNSA-N 3 2 225.380 0.903 20 0 BCADLP CC(=O)N1CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000179312677 386635389 /nfs/dbraw/zinc/63/53/89/386635389.db2.gz FWACLBBEBVIIIT-UHFFFAOYSA-N 2 2 236.319 0.437 20 0 BCADLP Cc1n[nH]cc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000228726453 386605560 /nfs/dbraw/zinc/60/55/60/386605560.db2.gz FJBGDUINYHNWBR-LLVKDONJSA-N 2 2 226.324 0.120 20 0 BCADLP C[C@@H](CC[NH+](C)C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000279244807 386654959 /nfs/dbraw/zinc/65/49/59/386654959.db2.gz SEOMFXMTUJEUEN-JTQLQIEISA-N 2 2 238.335 0.799 20 0 BCADLP C[NH+](C)CC[NH2+]C1CCN(CC(F)F)CC1 ZINC000336781608 386606372 /nfs/dbraw/zinc/60/63/72/386606372.db2.gz VDCMBPZJLALJJE-UHFFFAOYSA-N 2 2 235.322 0.867 20 0 BCADLP C[NH2+]CC[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000414818909 386668485 /nfs/dbraw/zinc/66/84/85/386668485.db2.gz GFDDQWSTIRWNBZ-UHFFFAOYSA-N 2 2 234.347 0.991 20 0 BCADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000414822155 386671237 /nfs/dbraw/zinc/67/12/37/386671237.db2.gz MRENSVCVAWEWBS-QJPTWQEYSA-N 3 2 211.353 0.716 20 0 BCADLP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[NH2+]2)c[nH]1 ZINC000414820829 386673990 /nfs/dbraw/zinc/67/39/90/386673990.db2.gz BIGXLSKABLAULM-JTQLQIEISA-N 2 2 237.303 0.643 20 0 BCADLP C[C@@H]1C[C@@H](CNCC(F)(F)C[NH3+])CC[NH2+]1 ZINC000414927023 386688322 /nfs/dbraw/zinc/68/83/22/386688322.db2.gz KQFXAOMHXMETSI-BDAKNGLRSA-N 2 2 221.295 0.558 20 0 BCADLP C[C@H]1C[C@H](CNCC(F)(F)C[NH3+])CC[NH2+]1 ZINC000414927024 386688356 /nfs/dbraw/zinc/68/83/56/386688356.db2.gz KQFXAOMHXMETSI-DTWKUNHWSA-N 2 2 221.295 0.558 20 0 BCADLP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1CCNC1=O ZINC000337279269 386697455 /nfs/dbraw/zinc/69/74/55/386697455.db2.gz UCHTXCXYGHALDH-LLVKDONJSA-N 2 2 225.336 0.293 20 0 BCADLP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCNC1=O ZINC000337279269 386697458 /nfs/dbraw/zinc/69/74/58/386697458.db2.gz UCHTXCXYGHALDH-LLVKDONJSA-N 2 2 225.336 0.293 20 0 BCADLP C[N@H+](CCC[NH+]1CCCC1)[C@H]1CCNC1=O ZINC000337279272 386699595 /nfs/dbraw/zinc/69/95/95/386699595.db2.gz UCHTXCXYGHALDH-NSHDSACASA-N 2 2 225.336 0.293 20 0 BCADLP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCNC1=O ZINC000337279272 386699603 /nfs/dbraw/zinc/69/96/03/386699603.db2.gz UCHTXCXYGHALDH-NSHDSACASA-N 2 2 225.336 0.293 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000044529644 386724566 /nfs/dbraw/zinc/72/45/66/386724566.db2.gz ITSKTOIKRLECAV-LLVKDONJSA-N 2 2 245.330 0.900 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000044529644 386724571 /nfs/dbraw/zinc/72/45/71/386724571.db2.gz ITSKTOIKRLECAV-LLVKDONJSA-N 2 2 245.330 0.900 20 0 BCADLP [NH3+]C1(CC(=O)NCCNc2cccc[nH+]2)CCC1 ZINC000645331183 386727170 /nfs/dbraw/zinc/72/71/70/386727170.db2.gz AIHYHMDBERTXMD-UHFFFAOYSA-N 2 2 248.330 0.881 20 0 BCADLP CC[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000269229387 386763437 /nfs/dbraw/zinc/76/34/37/386763437.db2.gz HDWOILCFIWOXSC-JTQLQIEISA-N 2 2 236.319 0.501 20 0 BCADLP CC[C@H]([NH3+])C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000269227810 386764908 /nfs/dbraw/zinc/76/49/08/386764908.db2.gz ATMKQBZRGUDXDG-JTQLQIEISA-N 2 2 236.319 0.853 20 0 BCADLP CSCC[C@H](CO)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336664420 386765324 /nfs/dbraw/zinc/76/53/24/386765324.db2.gz CQXBSXTVDZJVAP-HBNTYKKESA-N 2 2 232.393 0.640 20 0 BCADLP CSCC[C@H](CO)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336664420 386765330 /nfs/dbraw/zinc/76/53/30/386765330.db2.gz CQXBSXTVDZJVAP-HBNTYKKESA-N 2 2 232.393 0.640 20 0 BCADLP CC(C)[C@@H]([NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000269247379 386766294 /nfs/dbraw/zinc/76/62/94/386766294.db2.gz FHKCQQMGVMGOEE-GFCCVEGCSA-N 2 2 246.314 0.934 20 0 BCADLP CN(C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000348923495 386767070 /nfs/dbraw/zinc/76/70/70/386767070.db2.gz WUIQAUSIXPRZPW-UHFFFAOYSA-N 2 2 230.356 0.141 20 0 BCADLP CN(C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000348923495 386767076 /nfs/dbraw/zinc/76/70/76/386767076.db2.gz WUIQAUSIXPRZPW-UHFFFAOYSA-N 2 2 230.356 0.141 20 0 BCADLP O=C1NCC[C@H]1[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269253534 386767559 /nfs/dbraw/zinc/76/75/59/386767559.db2.gz CLUQFIWGGAKRNJ-VHSXEESVSA-N 2 2 234.303 0.478 20 0 BCADLP O=C1NCC[C@H]1[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269253534 386767561 /nfs/dbraw/zinc/76/75/61/386767561.db2.gz CLUQFIWGGAKRNJ-VHSXEESVSA-N 2 2 234.303 0.478 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@H]1CCOC[C@H]1C ZINC000192528081 386791110 /nfs/dbraw/zinc/79/11/10/386791110.db2.gz LCIXMTOKEBVGOZ-NEPJUHHUSA-N 2 2 230.352 0.579 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@H]1CCOC[C@H]1C ZINC000192528081 386791115 /nfs/dbraw/zinc/79/11/15/386791115.db2.gz LCIXMTOKEBVGOZ-NEPJUHHUSA-N 2 2 230.352 0.579 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@@H]1CCOC[C@H]1C ZINC000192528104 386791648 /nfs/dbraw/zinc/79/16/48/386791648.db2.gz LCIXMTOKEBVGOZ-VXGBXAGGSA-N 2 2 230.352 0.579 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@@H]1CCOC[C@H]1C ZINC000192528104 386791656 /nfs/dbraw/zinc/79/16/56/386791656.db2.gz LCIXMTOKEBVGOZ-VXGBXAGGSA-N 2 2 230.352 0.579 20 0 BCADLP CC[NH2+]CC[NH2+]CCC(C)(C)C(=O)OC ZINC000414846617 386817717 /nfs/dbraw/zinc/81/77/17/386817717.db2.gz NRQLIJYWBJASBF-UHFFFAOYSA-N 2 2 216.325 0.775 20 0 BCADLP c1cnn(CC[N@@H+]2CCn3c[nH+]cc3C2)c1 ZINC000647939146 386804101 /nfs/dbraw/zinc/80/41/01/386804101.db2.gz COXOCGRKZNBBIQ-UHFFFAOYSA-N 2 2 217.276 0.595 20 0 BCADLP c1cnn(CC[N@H+]2CCn3c[nH+]cc3C2)c1 ZINC000647939146 386804107 /nfs/dbraw/zinc/80/41/07/386804107.db2.gz COXOCGRKZNBBIQ-UHFFFAOYSA-N 2 2 217.276 0.595 20 0 BCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[NH+](C2CC2)CC1 ZINC000329868866 386811277 /nfs/dbraw/zinc/81/12/77/386811277.db2.gz XYKZSPDNKLLRQT-UHFFFAOYSA-N 2 2 248.330 0.649 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000417388912 386834044 /nfs/dbraw/zinc/83/40/44/386834044.db2.gz OZXARYSCZBPPND-OUAUKWLOSA-N 2 2 247.333 0.866 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000417388912 386834054 /nfs/dbraw/zinc/83/40/54/386834054.db2.gz OZXARYSCZBPPND-OUAUKWLOSA-N 2 2 247.333 0.866 20 0 BCADLP CCN(C)C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000357734075 386835836 /nfs/dbraw/zinc/83/58/36/386835836.db2.gz RAJDNCRVYUIPIW-RYUDHWBXSA-N 2 2 241.379 0.879 20 0 BCADLP CCN(C)C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000357734075 386835839 /nfs/dbraw/zinc/83/58/39/386835839.db2.gz RAJDNCRVYUIPIW-RYUDHWBXSA-N 2 2 241.379 0.879 20 0 BCADLP CCN(C)C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000357734075 386835842 /nfs/dbraw/zinc/83/58/42/386835842.db2.gz RAJDNCRVYUIPIW-RYUDHWBXSA-N 2 2 241.379 0.879 20 0 BCADLP CCN(C)C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000357734075 386835847 /nfs/dbraw/zinc/83/58/47/386835847.db2.gz RAJDNCRVYUIPIW-RYUDHWBXSA-N 2 2 241.379 0.879 20 0 BCADLP CC(C)n1c[nH+]cc1C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000425338821 386841199 /nfs/dbraw/zinc/84/11/99/386841199.db2.gz QJCPAMFUYVBBGC-CMPLNLGQSA-N 2 2 239.319 0.392 20 0 BCADLP CC(C)n1c[nH+]cc1C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000425338821 386841202 /nfs/dbraw/zinc/84/12/02/386841202.db2.gz QJCPAMFUYVBBGC-CMPLNLGQSA-N 2 2 239.319 0.392 20 0 BCADLP Cc1ccncc1[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000357778303 386843664 /nfs/dbraw/zinc/84/36/64/386843664.db2.gz NEXLGESZQLBWIJ-RYUDHWBXSA-N 2 2 237.347 0.963 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H]1CC[C@@H]1SC ZINC000425337370 386852119 /nfs/dbraw/zinc/85/21/19/386852119.db2.gz MRLONLUNCFZHMS-QWRGUYRKSA-N 2 2 232.393 0.784 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CC[C@@H]1SC ZINC000425337370 386852123 /nfs/dbraw/zinc/85/21/23/386852123.db2.gz MRLONLUNCFZHMS-QWRGUYRKSA-N 2 2 232.393 0.784 20 0 BCADLP COc1cccc(C[N@H+](CC[NH3+])CCO)c1 ZINC000414940372 386880492 /nfs/dbraw/zinc/88/04/92/386880492.db2.gz XQZMFIPLLQLYQC-UHFFFAOYSA-N 2 2 224.304 0.448 20 0 BCADLP COc1cccc(C[N@@H+](CC[NH3+])CCO)c1 ZINC000414940372 386880496 /nfs/dbraw/zinc/88/04/96/386880496.db2.gz XQZMFIPLLQLYQC-UHFFFAOYSA-N 2 2 224.304 0.448 20 0 BCADLP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000334849606 386898521 /nfs/dbraw/zinc/89/85/21/386898521.db2.gz XEBMAEPMNZEWKF-VHSXEESVSA-N 3 2 233.306 0.573 20 0 BCADLP CC[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)[NH+](C)C ZINC000335760905 386899063 /nfs/dbraw/zinc/89/90/63/386899063.db2.gz SWGOYPXHQUUMSQ-WDEREUQCSA-N 2 2 227.352 0.489 20 0 BCADLP CC(=O)[C@](C)(O)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000330859741 386904952 /nfs/dbraw/zinc/90/49/52/386904952.db2.gz PBBDVNCUGMZBKK-CYBMUJFWSA-N 2 2 242.363 0.789 20 0 BCADLP CC[NH+]1CCC([NH2+][C@@H]2CCCN(C)C2=O)CC1 ZINC000335767218 386909505 /nfs/dbraw/zinc/90/95/05/386909505.db2.gz IFTDRFMQKVVONG-GFCCVEGCSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccnn1C ZINC000334865439 386921964 /nfs/dbraw/zinc/92/19/64/386921964.db2.gz SZNJDTUXAKHLMJ-GXSJLCMTSA-N 2 2 208.309 0.508 20 0 BCADLP Cc1n[nH]cc1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000334872200 386933579 /nfs/dbraw/zinc/93/35/79/386933579.db2.gz BBKLDBNBGXFXQI-SNVBAGLBSA-N 2 2 208.309 0.948 20 0 BCADLP Cn1ncc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000368125121 386944825 /nfs/dbraw/zinc/94/48/25/386944825.db2.gz VEWUUIWVUIJKLA-JTQLQIEISA-N 2 2 246.318 0.918 20 0 BCADLP Cn1ncc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000368125121 386944831 /nfs/dbraw/zinc/94/48/31/386944831.db2.gz VEWUUIWVUIJKLA-JTQLQIEISA-N 2 2 246.318 0.918 20 0 BCADLP CC[C@H](NC[C@H](O)C[NH+](C)C)c1[nH+]ccn1C ZINC000341696355 386953567 /nfs/dbraw/zinc/95/35/67/386953567.db2.gz DZZVPTIPGXCUTK-QWRGUYRKSA-N 2 2 240.351 0.383 20 0 BCADLP Cc1cc(NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc[nH+]1 ZINC000334823566 386953657 /nfs/dbraw/zinc/95/36/57/386953657.db2.gz JAESGNXNPLBEDH-ONGXEEELSA-N 2 2 234.303 0.765 20 0 BCADLP C[C@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)[NH+](C)C ZINC000336745338 386985821 /nfs/dbraw/zinc/98/58/21/386985821.db2.gz QRSHMUTZSFNWMF-NXEZZACHSA-N 2 2 227.352 0.583 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000334820430 386949107 /nfs/dbraw/zinc/94/91/07/386949107.db2.gz HXALCUGPTWUWJH-IUCAKERBSA-N 2 2 222.292 0.669 20 0 BCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCCCC1 ZINC000107579385 387032637 /nfs/dbraw/zinc/03/26/37/387032637.db2.gz GSJZOYABYAIVAB-TXEJJXNPSA-N 2 2 237.347 0.150 20 0 BCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCCCC1 ZINC000107579385 387032640 /nfs/dbraw/zinc/03/26/40/387032640.db2.gz GSJZOYABYAIVAB-TXEJJXNPSA-N 2 2 237.347 0.150 20 0 BCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000333463043 387037998 /nfs/dbraw/zinc/03/79/98/387037998.db2.gz GXDDRVLYHLVQBV-UMSGYPCISA-N 3 2 241.379 0.613 20 0 BCADLP c1nc(N2C[C@H]3C[NH2+]C[C@H]3C2)cc(NC2CC2)[nH+]1 ZINC000333495978 387039116 /nfs/dbraw/zinc/03/91/16/387039116.db2.gz HFTFMFLCCCIBAD-AOOOYVTPSA-N 2 2 245.330 0.707 20 0 BCADLP c1nc(NC2CC2)cc(N2C[C@H]3C[NH2+]C[C@H]3C2)[nH+]1 ZINC000333495978 387039125 /nfs/dbraw/zinc/03/91/25/387039125.db2.gz HFTFMFLCCCIBAD-AOOOYVTPSA-N 2 2 245.330 0.707 20 0 BCADLP COC(=O)C1(C[NH2+]C(C)(C)C[NH+](C)C)CC1 ZINC000459559845 387056470 /nfs/dbraw/zinc/05/64/70/387056470.db2.gz MNSOENQHUXNESO-UHFFFAOYSA-N 2 2 228.336 0.869 20 0 BCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000359123054 387057230 /nfs/dbraw/zinc/05/72/30/387057230.db2.gz RFMFLANLXBRDPD-NSHDSACASA-N 2 2 236.319 0.900 20 0 BCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000359123054 387057232 /nfs/dbraw/zinc/05/72/32/387057232.db2.gz RFMFLANLXBRDPD-NSHDSACASA-N 2 2 236.319 0.900 20 0 BCADLP CCOC(=O)CC[N@@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000514603718 387009451 /nfs/dbraw/zinc/00/94/51/387009451.db2.gz ZTQSNRVFRZZXBH-GHMZBOCLSA-N 2 2 244.335 0.378 20 0 BCADLP CCOC(=O)CC[N@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000514603718 387009454 /nfs/dbraw/zinc/00/94/54/387009454.db2.gz ZTQSNRVFRZZXBH-GHMZBOCLSA-N 2 2 244.335 0.378 20 0 BCADLP CCOC(=O)CC[N@@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000514603723 387009614 /nfs/dbraw/zinc/00/96/14/387009614.db2.gz ZTQSNRVFRZZXBH-WDEREUQCSA-N 2 2 244.335 0.378 20 0 BCADLP CCOC(=O)CC[N@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000514603723 387009617 /nfs/dbraw/zinc/00/96/17/387009617.db2.gz ZTQSNRVFRZZXBH-WDEREUQCSA-N 2 2 244.335 0.378 20 0 BCADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CC[NH2+]CC1 ZINC000519113376 387010570 /nfs/dbraw/zinc/01/05/70/387010570.db2.gz DGWTZRHKASWGFI-UHFFFAOYSA-N 2 2 245.286 0.771 20 0 BCADLP Cc1cc(NC(=O)N[C@@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000333179678 387020911 /nfs/dbraw/zinc/02/09/11/387020911.db2.gz PLIUFFCTQLYTNN-LLVKDONJSA-N 2 2 234.303 0.685 20 0 BCADLP C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000053204422 387021175 /nfs/dbraw/zinc/02/11/75/387021175.db2.gz PFZAEKIFGJUBAH-LBPRGKRZSA-N 2 2 227.352 0.002 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCC2CC2)C1 ZINC000111695685 387084994 /nfs/dbraw/zinc/08/49/94/387084994.db2.gz CVHYDVRJHQMMIE-ZYHUDNBSSA-N 2 2 239.363 0.572 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000111695685 387084998 /nfs/dbraw/zinc/08/49/98/387084998.db2.gz CVHYDVRJHQMMIE-ZYHUDNBSSA-N 2 2 239.363 0.572 20 0 BCADLP CC[C@@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000334996802 387088747 /nfs/dbraw/zinc/08/87/47/387088747.db2.gz UYNFIVOIIFGJGW-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP CC[C@@H](C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000334996802 387088751 /nfs/dbraw/zinc/08/87/51/387088751.db2.gz UYNFIVOIIFGJGW-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000127233560 387098993 /nfs/dbraw/zinc/09/89/93/387098993.db2.gz FXPOHFLNBCZPGK-WDEREUQCSA-N 2 2 245.330 0.898 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000127233560 387098996 /nfs/dbraw/zinc/09/89/96/387098996.db2.gz FXPOHFLNBCZPGK-WDEREUQCSA-N 2 2 245.330 0.898 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]CC1(SC)CC1 ZINC000336767192 387123163 /nfs/dbraw/zinc/12/31/63/387123163.db2.gz SJGVQZZVJQLGCG-UHFFFAOYSA-N 2 2 232.393 0.786 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]CC1(SC)CC1 ZINC000336767192 387123168 /nfs/dbraw/zinc/12/31/68/387123168.db2.gz SJGVQZZVJQLGCG-UHFFFAOYSA-N 2 2 232.393 0.786 20 0 BCADLP Cc1cc(NC(=O)CC2(C[NH3+])CC2)cc[nH+]1 ZINC000423315331 387154201 /nfs/dbraw/zinc/15/42/01/387154201.db2.gz ZNNUPPQWBAWACZ-UHFFFAOYSA-N 2 2 219.288 0.879 20 0 BCADLP CC[C@@H]([NH2+]CC[NH2+]CCOC)c1cnn(C)c1 ZINC000423320178 387161172 /nfs/dbraw/zinc/16/11/72/387161172.db2.gz DEETYBCGWNRDLS-GFCCVEGCSA-N 2 2 240.351 0.697 20 0 BCADLP COCC[NH2+]CC[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000423330073 387173635 /nfs/dbraw/zinc/17/36/35/387173635.db2.gz LVUBBWHFRQPIAE-GMTAPVOTSA-N 2 2 200.326 0.857 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCC[NH3+] ZINC000423333036 387177299 /nfs/dbraw/zinc/17/72/99/387177299.db2.gz NTPUJCPJCZFXHC-PWSUYJOCSA-N 3 2 211.353 0.798 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCC[NH3+] ZINC000423333036 387177304 /nfs/dbraw/zinc/17/73/04/387177304.db2.gz NTPUJCPJCZFXHC-PWSUYJOCSA-N 3 2 211.353 0.798 20 0 BCADLP C[C@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000571910257 387204598 /nfs/dbraw/zinc/20/45/98/387204598.db2.gz NWWLMKSECTXVQB-JQWIXIFHSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000571910257 387204603 /nfs/dbraw/zinc/20/46/03/387204603.db2.gz NWWLMKSECTXVQB-JQWIXIFHSA-N 2 2 212.337 0.974 20 0 BCADLP [NH3+][C@H]1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000571940713 387206544 /nfs/dbraw/zinc/20/65/44/387206544.db2.gz YWRAJZAVHSGEQI-VIFPVBQESA-N 2 2 245.286 0.899 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)CC1(O)CCC1 ZINC000353493667 387215567 /nfs/dbraw/zinc/21/55/67/387215567.db2.gz XNDVHJVYIIQFJG-UHFFFAOYSA-N 2 2 209.293 0.730 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)CC1(O)CCC1 ZINC000353493667 387215571 /nfs/dbraw/zinc/21/55/71/387215571.db2.gz XNDVHJVYIIQFJG-UHFFFAOYSA-N 2 2 209.293 0.730 20 0 BCADLP CC[C@@H](C)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093173256 387218325 /nfs/dbraw/zinc/21/83/25/387218325.db2.gz IYRXZQXLKZIYJV-GFCCVEGCSA-N 2 2 241.379 0.738 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423367888 387220748 /nfs/dbraw/zinc/22/07/48/387220748.db2.gz ROMDDMUGDPKCAU-MMWGEVLESA-N 2 2 200.326 0.997 20 0 BCADLP Cc1noc([C@@H](C)[N@H+](C)CCOCC[NH3+])n1 ZINC000572059952 387225057 /nfs/dbraw/zinc/22/50/57/387225057.db2.gz HYMSEGCGFVVFKG-MRVPVSSYSA-N 2 2 228.296 0.346 20 0 BCADLP Cc1noc([C@@H](C)[N@@H+](C)CCOCC[NH3+])n1 ZINC000572059952 387225061 /nfs/dbraw/zinc/22/50/61/387225061.db2.gz HYMSEGCGFVVFKG-MRVPVSSYSA-N 2 2 228.296 0.346 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+](CCCS(C)(=O)=O)C1 ZINC000063015323 387228808 /nfs/dbraw/zinc/22/88/08/387228808.db2.gz TXXGUJVZTIIROC-LLVKDONJSA-N 2 2 248.392 0.353 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+](CCCS(C)(=O)=O)C1 ZINC000063015323 387228816 /nfs/dbraw/zinc/22/88/16/387228816.db2.gz TXXGUJVZTIIROC-LLVKDONJSA-N 2 2 248.392 0.353 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)[C@H]1C[C@H]1C ZINC000321468301 387231311 /nfs/dbraw/zinc/23/13/11/387231311.db2.gz DAOBZOZJAHILGB-XQHKEYJVSA-N 2 2 225.380 0.866 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)[C@H]1C[C@H]1C ZINC000321468301 387231315 /nfs/dbraw/zinc/23/13/15/387231315.db2.gz DAOBZOZJAHILGB-XQHKEYJVSA-N 2 2 225.380 0.866 20 0 BCADLP COC(=O)[C@H]([NH2+]CCn1cc[nH+]c1C)C1CC1 ZINC000285210875 387251089 /nfs/dbraw/zinc/25/10/89/387251089.db2.gz XCTMUXLFUCYUJD-LLVKDONJSA-N 2 2 237.303 0.733 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]Cc2ccn(C)n2)CC[N@@H+]1C ZINC000097604736 387251723 /nfs/dbraw/zinc/25/17/23/387251723.db2.gz ICGDEIDLIZWORE-GHMZBOCLSA-N 2 2 222.336 0.992 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]Cc2ccn(C)n2)CC[N@H+]1C ZINC000097604736 387251728 /nfs/dbraw/zinc/25/17/28/387251728.db2.gz ICGDEIDLIZWORE-GHMZBOCLSA-N 2 2 222.336 0.992 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)n1C ZINC000514677939 387313302 /nfs/dbraw/zinc/31/33/02/387313302.db2.gz LWFIWEYXVMCDDJ-GHMZBOCLSA-N 2 2 223.320 0.978 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423374838 387255094 /nfs/dbraw/zinc/25/50/94/387255094.db2.gz TZJPVGXUNAJLLP-KKOKHZNYSA-N 3 2 211.353 0.844 20 0 BCADLP Cn1cncc1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000572175638 387257416 /nfs/dbraw/zinc/25/74/16/387257416.db2.gz QGCSIWBDQJASAP-UHFFFAOYSA-N 2 2 246.318 0.465 20 0 BCADLP COC(C)(C)[C@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000302361512 387281339 /nfs/dbraw/zinc/28/13/39/387281339.db2.gz GRZRNFAEHWNQMP-RYUDHWBXSA-N 2 2 243.395 0.635 20 0 BCADLP COC(C)(C)[C@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000302361512 387281342 /nfs/dbraw/zinc/28/13/42/387281342.db2.gz GRZRNFAEHWNQMP-RYUDHWBXSA-N 2 2 243.395 0.635 20 0 BCADLP COC(C)(C)[C@@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000302361510 387281486 /nfs/dbraw/zinc/28/14/86/387281486.db2.gz GRZRNFAEHWNQMP-NEPJUHHUSA-N 2 2 243.395 0.635 20 0 BCADLP COC(C)(C)[C@@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000302361510 387281491 /nfs/dbraw/zinc/28/14/91/387281491.db2.gz GRZRNFAEHWNQMP-NEPJUHHUSA-N 2 2 243.395 0.635 20 0 BCADLP CCn1cc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cn1 ZINC000423437834 387288294 /nfs/dbraw/zinc/28/82/94/387288294.db2.gz QWAVPWGDKXJZQL-YJQGPUDQSA-N 2 2 220.320 0.771 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000423443685 387293510 /nfs/dbraw/zinc/29/35/10/387293510.db2.gz XFUFBOFPLGYHOD-MFKMUULPSA-N 2 2 247.342 0.727 20 0 BCADLP C=Cn1cc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cn1 ZINC000234318320 387309010 /nfs/dbraw/zinc/30/90/10/387309010.db2.gz RQNDCWQBQKNHPK-CYBMUJFWSA-N 2 2 249.362 0.319 20 0 BCADLP C=Cn1cc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cn1 ZINC000234318320 387309014 /nfs/dbraw/zinc/30/90/14/387309014.db2.gz RQNDCWQBQKNHPK-CYBMUJFWSA-N 2 2 249.362 0.319 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccco1 ZINC000423527585 387355960 /nfs/dbraw/zinc/35/59/60/387355960.db2.gz RYPICNWBTUTLOT-ZJUUUORDSA-N 2 2 210.277 0.919 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000354291046 387356500 /nfs/dbraw/zinc/35/65/00/387356500.db2.gz ZVJKJMYBDMKWTB-SECBINFHSA-N 2 2 232.287 0.688 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502430 387365884 /nfs/dbraw/zinc/36/58/84/387365884.db2.gz GBXAAVOYKAAIAV-SDDRHHMPSA-N 3 2 211.353 0.846 20 0 BCADLP COC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)C1CCCC1 ZINC000423576014 387380172 /nfs/dbraw/zinc/38/01/72/387380172.db2.gz QVQPGSYMLZDUAU-OLZOCXBDSA-N 2 2 242.363 0.770 20 0 BCADLP C[C@H](Cc1ccoc1)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423577450 387380307 /nfs/dbraw/zinc/38/03/07/387380307.db2.gz SHYZKMCAVUOBIB-PWSUYJOCSA-N 2 2 224.304 0.789 20 0 BCADLP COC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)C1CCCC1 ZINC000423576016 387380358 /nfs/dbraw/zinc/38/03/58/387380358.db2.gz QVQPGSYMLZDUAU-STQMWFEESA-N 2 2 242.363 0.770 20 0 BCADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423580716 387383111 /nfs/dbraw/zinc/38/31/11/387383111.db2.gz YEQZKSYXXHPQQL-XQQFMLRXSA-N 2 2 242.363 0.770 20 0 BCADLP C[C@@H](CCCC[NH3+])NC(=O)CCn1cc[nH+]c1 ZINC000292130651 387341869 /nfs/dbraw/zinc/34/18/69/387341869.db2.gz RKJIOFVDDCPJTB-NSHDSACASA-N 2 2 238.335 0.907 20 0 BCADLP CC(C)[NH2+]CCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000572354559 387342940 /nfs/dbraw/zinc/34/29/40/387342940.db2.gz DJNBGLWCVBSCGB-RYUDHWBXSA-N 3 2 213.369 0.962 20 0 BCADLP COC[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)C(C)C ZINC000423511666 387348768 /nfs/dbraw/zinc/34/87/68/387348768.db2.gz ATNGJFQXCIZSHH-GHMZBOCLSA-N 2 2 216.325 0.235 20 0 BCADLP Cc1cncc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)c1 ZINC000423517095 387350226 /nfs/dbraw/zinc/35/02/26/387350226.db2.gz NYRASLOKDHJNIF-JSGCOSHPSA-N 2 2 248.374 0.944 20 0 BCADLP Cc1cc(N2CCO[C@@H](C[NH3+])C2)nc(C2CC2)[nH+]1 ZINC000515814867 387424833 /nfs/dbraw/zinc/42/48/33/387424833.db2.gz YOSWGBRUVFPWBU-NSHDSACASA-N 2 2 248.330 0.826 20 0 BCADLP C[C@H]([NH2+]CC(=O)NC1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000643469796 387428552 /nfs/dbraw/zinc/42/85/52/387428552.db2.gz PMBPSAOXLZISSJ-JQWIXIFHSA-N 2 2 239.363 0.775 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000521446763 387447759 /nfs/dbraw/zinc/44/77/59/387447759.db2.gz NXIPPDFLBMMYPJ-GUBZILKMSA-N 2 2 216.350 0.540 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000521446763 387447764 /nfs/dbraw/zinc/44/77/64/387447764.db2.gz NXIPPDFLBMMYPJ-GUBZILKMSA-N 2 2 216.350 0.540 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H](C[NH3+])C2CCCC2)c[nH+]1 ZINC000423969077 387459978 /nfs/dbraw/zinc/45/99/78/387459978.db2.gz VNJFAUJLAXPPNO-SNVBAGLBSA-N 2 2 236.319 0.965 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H](C)CCCC[NH3+])c[nH+]1 ZINC000423650085 387392325 /nfs/dbraw/zinc/39/23/25/387392325.db2.gz JUADRCCVZBMLNC-QMMMGPOBSA-N 2 2 224.308 0.965 20 0 BCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000361220948 387417870 /nfs/dbraw/zinc/41/78/70/387417870.db2.gz PIBNKROJONHCCJ-JQWIXIFHSA-N 2 2 239.363 0.714 20 0 BCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000361220948 387417872 /nfs/dbraw/zinc/41/78/72/387417872.db2.gz PIBNKROJONHCCJ-JQWIXIFHSA-N 2 2 239.363 0.714 20 0 BCADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)[C@@H]1CCC[NH2+]1 ZINC000643474904 387496290 /nfs/dbraw/zinc/49/62/90/387496290.db2.gz MDAMZZNTSZATSU-VOAKCMCISA-N 2 2 241.379 0.436 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1COC(C)(C)C1 ZINC000396864582 387507714 /nfs/dbraw/zinc/50/77/14/387507714.db2.gz SYKWFFLZSDBPJH-NEPJUHHUSA-N 2 2 241.379 0.389 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1COC(C)(C)C1 ZINC000396864582 387507723 /nfs/dbraw/zinc/50/77/23/387507723.db2.gz SYKWFFLZSDBPJH-NEPJUHHUSA-N 2 2 241.379 0.389 20 0 BCADLP COC[C@H]([NH2+]CC[NH2+]C1CC1)C(C)C ZINC000643506850 387463436 /nfs/dbraw/zinc/46/34/36/387463436.db2.gz KDHQYROTQGTUED-NSHDSACASA-N 2 2 200.326 0.999 20 0 BCADLP Cc1[nH+]c2ccccc2n1CC(=O)N(C)CC[NH3+] ZINC000423998255 387463904 /nfs/dbraw/zinc/46/39/04/387463904.db2.gz AQUDZCZMFWTRSU-UHFFFAOYSA-N 2 2 246.314 0.762 20 0 BCADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]CC1(C)COC1 ZINC000352747659 387472405 /nfs/dbraw/zinc/47/24/05/387472405.db2.gz FRIXXPTWVNYROU-GFCCVEGCSA-N 2 2 242.363 0.723 20 0 BCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)NCC1CC1 ZINC000430556901 387628153 /nfs/dbraw/zinc/62/81/53/387628153.db2.gz LSAONUUOIDEEDY-LBPRGKRZSA-N 2 2 227.352 0.476 20 0 BCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCO)C1 ZINC000123645960 387589461 /nfs/dbraw/zinc/58/94/61/387589461.db2.gz KKULTBFRUQDPEY-LLVKDONJSA-N 2 2 223.320 0.667 20 0 BCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCO)C1 ZINC000123645960 387589468 /nfs/dbraw/zinc/58/94/68/387589468.db2.gz KKULTBFRUQDPEY-LLVKDONJSA-N 2 2 223.320 0.667 20 0 BCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N(C)C1CC1 ZINC000123732094 387592191 /nfs/dbraw/zinc/59/21/91/387592191.db2.gz ZDEOCHAWRPZVBO-GFCCVEGCSA-N 2 2 241.379 0.912 20 0 BCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N(C)C1CC1 ZINC000123732094 387592194 /nfs/dbraw/zinc/59/21/94/387592194.db2.gz ZDEOCHAWRPZVBO-GFCCVEGCSA-N 2 2 241.379 0.912 20 0 BCADLP C[N@H+](CC[NH3+])Cc1ccc2c[nH]nc2c1 ZINC000162918098 387598694 /nfs/dbraw/zinc/59/86/94/387598694.db2.gz IJWSTAHZJLJHDJ-UHFFFAOYSA-N 2 2 204.277 0.953 20 0 BCADLP C[N@@H+](CC[NH3+])Cc1ccc2c[nH]nc2c1 ZINC000162918098 387598701 /nfs/dbraw/zinc/59/87/01/387598701.db2.gz IJWSTAHZJLJHDJ-UHFFFAOYSA-N 2 2 204.277 0.953 20 0 BCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCC[NH3+] ZINC000422707623 387621846 /nfs/dbraw/zinc/62/18/46/387621846.db2.gz WSOQINRXDDGKKF-QWHCGFSZSA-N 3 2 243.395 0.814 20 0 BCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCC[NH3+] ZINC000422707623 387621852 /nfs/dbraw/zinc/62/18/52/387621852.db2.gz WSOQINRXDDGKKF-QWHCGFSZSA-N 3 2 243.395 0.814 20 0 BCADLP C[C@@H](CC(=O)N(C)C)[NH2+]CC[N@H+]1CC=CCC1 ZINC000355522164 387547607 /nfs/dbraw/zinc/54/76/07/387547607.db2.gz BNUTWUFQOJQANS-LBPRGKRZSA-N 2 2 239.363 0.705 20 0 BCADLP C[C@@H](CC(=O)N(C)C)[NH2+]CC[N@@H+]1CC=CCC1 ZINC000355522164 387547610 /nfs/dbraw/zinc/54/76/10/387547610.db2.gz BNUTWUFQOJQANS-LBPRGKRZSA-N 2 2 239.363 0.705 20 0 BCADLP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000361928253 387554548 /nfs/dbraw/zinc/55/45/48/387554548.db2.gz VWCITQDMAZAAQD-FDYHWXHSSA-N 2 2 242.363 0.720 20 0 BCADLP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000361928253 387554555 /nfs/dbraw/zinc/55/45/55/387554555.db2.gz VWCITQDMAZAAQD-FDYHWXHSSA-N 2 2 242.363 0.720 20 0 BCADLP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000361928255 387554811 /nfs/dbraw/zinc/55/48/11/387554811.db2.gz VWCITQDMAZAAQD-LPWJVIDDSA-N 2 2 242.363 0.720 20 0 BCADLP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000361928255 387554817 /nfs/dbraw/zinc/55/48/17/387554817.db2.gz VWCITQDMAZAAQD-LPWJVIDDSA-N 2 2 242.363 0.720 20 0 BCADLP CC[NH+](CC)CCN1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000119981949 387558244 /nfs/dbraw/zinc/55/82/44/387558244.db2.gz NSDTZZHTVIASRC-QWHCGFSZSA-N 2 2 241.379 0.343 20 0 BCADLP CC[NH+](CC)CCN1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000119981949 387558247 /nfs/dbraw/zinc/55/82/47/387558247.db2.gz NSDTZZHTVIASRC-QWHCGFSZSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccccn1 ZINC000037889238 387568557 /nfs/dbraw/zinc/56/85/57/387568557.db2.gz ISDMZJWHMJCZGF-QWRGUYRKSA-N 2 2 223.320 0.655 20 0 BCADLP CC(C)CNC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430587077 387630101 /nfs/dbraw/zinc/63/01/01/387630101.db2.gz YAQRDSZRRQZLNW-GFCCVEGCSA-N 2 2 227.352 0.476 20 0 BCADLP C[C@H]1CCC[N@H+](CCN2CCCC2=O)[C@@H]1C[NH3+] ZINC000430582691 387631625 /nfs/dbraw/zinc/63/16/25/387631625.db2.gz WWQPFLJYJNKMTJ-NWDGAFQWSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@H]1CCC[N@@H+](CCN2CCCC2=O)[C@@H]1C[NH3+] ZINC000430582691 387631628 /nfs/dbraw/zinc/63/16/28/387631628.db2.gz WWQPFLJYJNKMTJ-NWDGAFQWSA-N 2 2 239.363 0.668 20 0 BCADLP CC[C@H](C)NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430588174 387631773 /nfs/dbraw/zinc/63/17/73/387631773.db2.gz YRDWVBMCAVXHGP-CABZTGNLSA-N 2 2 227.352 0.618 20 0 BCADLP C[C@@H]([NH2+]CCN1CCOC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422720385 387632796 /nfs/dbraw/zinc/63/27/96/387632796.db2.gz SJXSRQYYWSHGNE-UPJWGTAASA-N 2 2 241.379 0.437 20 0 BCADLP C[C@H](C[N@H+](C)C1CC[NH2+]CC1)CS(C)(=O)=O ZINC000430620269 387635087 /nfs/dbraw/zinc/63/50/87/387635087.db2.gz BAKBQIKLZCSLBH-SNVBAGLBSA-N 2 2 248.392 0.351 20 0 BCADLP C[C@H](C[N@@H+](C)C1CC[NH2+]CC1)CS(C)(=O)=O ZINC000430620269 387635089 /nfs/dbraw/zinc/63/50/89/387635089.db2.gz BAKBQIKLZCSLBH-SNVBAGLBSA-N 2 2 248.392 0.351 20 0 BCADLP CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430642545 387635098 /nfs/dbraw/zinc/63/50/98/387635098.db2.gz OZBXCODZKHBDRB-GFCCVEGCSA-N 2 2 239.363 0.526 20 0 BCADLP CN(CC1CC1)C(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430642545 387635100 /nfs/dbraw/zinc/63/51/00/387635100.db2.gz OZBXCODZKHBDRB-GFCCVEGCSA-N 2 2 239.363 0.526 20 0 BCADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C(=O)N1CCCC1 ZINC000400754700 387638008 /nfs/dbraw/zinc/63/80/08/387638008.db2.gz WQFDYDVBMSRICI-SRVKXCTJSA-N 2 2 239.363 0.727 20 0 BCADLP COCCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422731413 387639903 /nfs/dbraw/zinc/63/99/03/387639903.db2.gz LNVXRWQMZGWLRR-VXGBXAGGSA-N 2 2 228.336 0.380 20 0 BCADLP CC(C)[C@H](C[NH3+])C(=O)NCCc1[nH]cc[nH+]1 ZINC000125029615 387640906 /nfs/dbraw/zinc/64/09/06/387640906.db2.gz RYSVYXZKWPJTDD-VIFPVBQESA-N 2 2 224.308 0.299 20 0 BCADLP C([NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@@H]1CCCO1 ZINC000422748940 387653792 /nfs/dbraw/zinc/65/37/92/387653792.db2.gz WUIIKNUQFHFSLU-RWMBFGLXSA-N 2 2 240.347 0.522 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000362786452 387658771 /nfs/dbraw/zinc/65/87/71/387658771.db2.gz UIXHDNQORMCBQA-MNOVXSKESA-N 2 2 233.315 0.948 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000362786452 387658776 /nfs/dbraw/zinc/65/87/76/387658776.db2.gz UIXHDNQORMCBQA-MNOVXSKESA-N 2 2 233.315 0.948 20 0 BCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422758171 387660941 /nfs/dbraw/zinc/66/09/41/387660941.db2.gz NPYYBIWORGQOPP-IJLUTSLNSA-N 3 2 211.353 0.940 20 0 BCADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422758171 387660943 /nfs/dbraw/zinc/66/09/43/387660943.db2.gz NPYYBIWORGQOPP-IJLUTSLNSA-N 3 2 211.353 0.940 20 0 BCADLP C[C@H]1C[N@H+](CC(=O)NCC2CCC2)CC[C@H]1[NH3+] ZINC000430916966 387661245 /nfs/dbraw/zinc/66/12/45/387661245.db2.gz IRKLDBHOICTIMI-CMPLNLGQSA-N 2 2 239.363 0.572 20 0 BCADLP C[C@H]1C[N@@H+](CC(=O)NCC2CCC2)CC[C@H]1[NH3+] ZINC000430916966 387661249 /nfs/dbraw/zinc/66/12/49/387661249.db2.gz IRKLDBHOICTIMI-CMPLNLGQSA-N 2 2 239.363 0.572 20 0 BCADLP C[C@H](CN1CCCC1=O)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422762380 387664132 /nfs/dbraw/zinc/66/41/32/387664132.db2.gz NPEBFZKOBVSDQX-TUAOUCFPSA-N 2 2 239.363 0.585 20 0 BCADLP C[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])C[NH+]1CCOCC1 ZINC000422769070 387667853 /nfs/dbraw/zinc/66/78/53/387667853.db2.gz SQOXGHWFWHRXES-AGIUHOORSA-N 3 2 243.395 0.670 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422774991 387673062 /nfs/dbraw/zinc/67/30/62/387673062.db2.gz ZGXHUCDCCSCEKA-GUBZILKMSA-N 2 2 213.325 0.099 20 0 BCADLP O=C([C@H]1CC[NH2+]C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000431045631 387673216 /nfs/dbraw/zinc/67/32/16/387673216.db2.gz RLTFPLDBPPSYDV-NSHDSACASA-N 2 2 248.330 0.725 20 0 BCADLP O=C([C@@H]1CC[NH2+]C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000431045630 387673607 /nfs/dbraw/zinc/67/36/07/387673607.db2.gz RLTFPLDBPPSYDV-LLVKDONJSA-N 2 2 248.330 0.725 20 0 BCADLP CC(C)[C@H](O)CC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422779421 387677671 /nfs/dbraw/zinc/67/76/71/387677671.db2.gz IQYNZKPBIOCCHW-JHJVBQTASA-N 2 2 244.379 0.750 20 0 BCADLP COC(=O)[C@@H](C)[NH2+][C@H]1CCc2[nH+]c(C)cn2C1 ZINC000377824354 387752887 /nfs/dbraw/zinc/75/28/87/387752887.db2.gz RHBZLOGPJDPQRK-ZJUUUORDSA-N 2 2 237.303 0.657 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367438706 387708766 /nfs/dbraw/zinc/70/87/66/387708766.db2.gz ORZSHZABKCQJSC-SECBINFHSA-N 2 2 236.319 0.573 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]CC2(O)CCC2)n1C ZINC000127355896 387712379 /nfs/dbraw/zinc/71/23/79/387712379.db2.gz OLFGNNXKWITEMW-UHFFFAOYSA-N 2 2 238.335 0.491 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000527789906 387715036 /nfs/dbraw/zinc/71/50/36/387715036.db2.gz QGCGSBRXTVPYCJ-QTAHKJALSA-N 2 2 210.321 0.705 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000527789906 387715041 /nfs/dbraw/zinc/71/50/41/387715041.db2.gz QGCGSBRXTVPYCJ-QTAHKJALSA-N 2 2 210.321 0.705 20 0 BCADLP CC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCNC1=O ZINC000440965427 387720596 /nfs/dbraw/zinc/72/05/96/387720596.db2.gz ZYGBDMXETZUDIL-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCNC1=O ZINC000440965427 387720598 /nfs/dbraw/zinc/72/05/98/387720598.db2.gz ZYGBDMXETZUDIL-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCNC1=O ZINC000440965427 387720600 /nfs/dbraw/zinc/72/06/00/387720600.db2.gz ZYGBDMXETZUDIL-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP CC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H]1CCNC1=O ZINC000440965427 387720604 /nfs/dbraw/zinc/72/06/04/387720604.db2.gz ZYGBDMXETZUDIL-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422830237 387723810 /nfs/dbraw/zinc/72/38/10/387723810.db2.gz CJFRRCWRJYHVIQ-CMPLNLGQSA-N 3 2 222.336 0.779 20 0 BCADLP COCC[N@H+](C)CCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422848134 387733845 /nfs/dbraw/zinc/73/38/45/387733845.db2.gz SNPJDISCMZKOBH-OLZOCXBDSA-N 3 2 243.395 0.542 20 0 BCADLP COCC[N@@H+](C)CCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422848134 387733849 /nfs/dbraw/zinc/73/38/49/387733849.db2.gz SNPJDISCMZKOBH-OLZOCXBDSA-N 3 2 243.395 0.542 20 0 BCADLP C1CC1[C@H]([NH2+][C@@H]1CCCOC1)[C@H]1C[NH2+]CCO1 ZINC000422858194 387741554 /nfs/dbraw/zinc/74/15/54/387741554.db2.gz HZJMTCUKTLYTIL-UPJWGTAASA-N 2 2 240.347 0.522 20 0 BCADLP C[C@@H](C[NH3+])CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000441617076 387772234 /nfs/dbraw/zinc/77/22/34/387772234.db2.gz YYXJQRACNHWGMJ-VIFPVBQESA-N 2 2 232.287 0.659 20 0 BCADLP CC[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)[C@@H]1CCC[NH2+]1 ZINC000422959228 387812099 /nfs/dbraw/zinc/81/20/99/387812099.db2.gz RDGHLWZHIPFZLW-AXFHLTTASA-N 2 2 225.336 0.337 20 0 BCADLP C1CC1[C@H]([NH2+][C@H]1CCSC1)[C@@H]1C[NH2+]CCO1 ZINC000422917641 387773880 /nfs/dbraw/zinc/77/38/80/387773880.db2.gz FJCKWOURBAATRW-SRVKXCTJSA-N 2 2 242.388 0.849 20 0 BCADLP CC(C)N1C[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)CC1=O ZINC000422918919 387776264 /nfs/dbraw/zinc/77/62/64/387776264.db2.gz IZTJYVHPDZEHQF-IJLUTSLNSA-N 2 2 239.363 0.726 20 0 BCADLP CCn1nncc1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000527918763 387787605 /nfs/dbraw/zinc/78/76/05/387787605.db2.gz DHJVDINMVLHJFO-PWSUYJOCSA-N 2 2 237.351 0.728 20 0 BCADLP CCn1nncc1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000527918763 387787610 /nfs/dbraw/zinc/78/76/10/387787610.db2.gz DHJVDINMVLHJFO-PWSUYJOCSA-N 2 2 237.351 0.728 20 0 BCADLP CC[C@](C)(O)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422983189 387793673 /nfs/dbraw/zinc/79/36/73/387793673.db2.gz YVBRSQPCXYJOSY-UPJWGTAASA-N 2 2 242.363 0.504 20 0 BCADLP CC(C)N1CC[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1=O ZINC000422982501 387793719 /nfs/dbraw/zinc/79/37/19/387793719.db2.gz QXLBJYISHKPVAM-UTUOFQBUSA-N 2 2 239.363 0.726 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@]1(O)CCSC1 ZINC000422990999 387800415 /nfs/dbraw/zinc/80/04/15/387800415.db2.gz CEABJHNHEXFHBP-GMTAPVOTSA-N 2 2 230.377 0.442 20 0 BCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccoc1 ZINC000309503242 387809030 /nfs/dbraw/zinc/80/90/30/387809030.db2.gz BKWBMWSDKICXOB-CMPLNLGQSA-N 2 2 224.304 0.997 20 0 BCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccoc1 ZINC000309503242 387809032 /nfs/dbraw/zinc/80/90/32/387809032.db2.gz BKWBMWSDKICXOB-CMPLNLGQSA-N 2 2 224.304 0.997 20 0 BCADLP COc1cccc(CC[NH2+][C@@H]2CC[NH2+]C2)n1 ZINC000423006708 387829704 /nfs/dbraw/zinc/82/97/04/387829704.db2.gz OYCFPMCMUVTUSM-LLVKDONJSA-N 2 2 221.304 0.584 20 0 BCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nnc(C2CC2)n1C ZINC000442760398 387834921 /nfs/dbraw/zinc/83/49/21/387834921.db2.gz NJJGDBCWJGDMBP-ZJUUUORDSA-N 2 2 249.362 0.862 20 0 BCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nnc(C2CC2)n1C ZINC000442760398 387834924 /nfs/dbraw/zinc/83/49/24/387834924.db2.gz NJJGDBCWJGDMBP-ZJUUUORDSA-N 2 2 249.362 0.862 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@](C)(O)C(F)(F)F ZINC000423016464 387840479 /nfs/dbraw/zinc/84/04/79/387840479.db2.gz SZJLQRUXHJAYMR-HLTSFMKQSA-N 2 2 240.269 0.887 20 0 BCADLP Cc1ncc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c(=O)[nH]1 ZINC000423035634 387850846 /nfs/dbraw/zinc/85/08/46/387850846.db2.gz SCWCSRVFZCLXQQ-KWQFWETISA-N 2 2 236.319 0.578 20 0 BCADLP O=C(Cn1cc[nH+]c1)N1CC[NH+](C2CC2)CC1 ZINC000582579902 387852300 /nfs/dbraw/zinc/85/23/00/387852300.db2.gz DHIKLSISJXXARE-UHFFFAOYSA-N 2 2 234.303 0.190 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC(=O)N[C@@H]2C)C1 ZINC000442876092 387854778 /nfs/dbraw/zinc/85/47/78/387854778.db2.gz UQXMOPVQEMJLRD-WHOHXGKFSA-N 2 2 239.363 0.583 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC(=O)N[C@@H]2C)C1 ZINC000442876092 387854781 /nfs/dbraw/zinc/85/47/81/387854781.db2.gz UQXMOPVQEMJLRD-WHOHXGKFSA-N 2 2 239.363 0.583 20 0 BCADLP CC(C)OCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423041901 387854947 /nfs/dbraw/zinc/85/49/47/387854947.db2.gz YBXIPMJGZMKCLU-GHMZBOCLSA-N 2 2 200.326 0.999 20 0 BCADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC000423043533 387856299 /nfs/dbraw/zinc/85/62/99/387856299.db2.gz OXSOPYUZMUGVPJ-VXGBXAGGSA-N 2 2 239.363 0.762 20 0 BCADLP Cc1c[nH+]ccc1CC[NH2+]C1(C(N)=O)CC1 ZINC000645847937 387859072 /nfs/dbraw/zinc/85/90/72/387859072.db2.gz UIEHAAPNXLNCFA-UHFFFAOYSA-N 2 2 219.288 0.540 20 0 BCADLP CC(C)NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193622052 387860143 /nfs/dbraw/zinc/86/01/43/387860143.db2.gz QLWXSMRHPKRRGQ-PHIMTYICSA-N 2 2 225.336 0.004 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193622052 387860147 /nfs/dbraw/zinc/86/01/47/387860147.db2.gz QLWXSMRHPKRRGQ-PHIMTYICSA-N 2 2 225.336 0.004 20 0 BCADLP CC(C)NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193622052 387860154 /nfs/dbraw/zinc/86/01/54/387860154.db2.gz QLWXSMRHPKRRGQ-PHIMTYICSA-N 2 2 225.336 0.004 20 0 BCADLP CC(C)NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193622052 387860156 /nfs/dbraw/zinc/86/01/56/387860156.db2.gz QLWXSMRHPKRRGQ-PHIMTYICSA-N 2 2 225.336 0.004 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193604975 387860204 /nfs/dbraw/zinc/86/02/04/387860204.db2.gz SPZOYQRSIJOZDV-TXEJJXNPSA-N 2 2 239.363 0.348 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193604975 387860211 /nfs/dbraw/zinc/86/02/11/387860211.db2.gz SPZOYQRSIJOZDV-TXEJJXNPSA-N 2 2 239.363 0.348 20 0 BCADLP CCN(CC)C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193604975 387860214 /nfs/dbraw/zinc/86/02/14/387860214.db2.gz SPZOYQRSIJOZDV-TXEJJXNPSA-N 2 2 239.363 0.348 20 0 BCADLP CCN(CC)C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193604975 387860219 /nfs/dbraw/zinc/86/02/19/387860219.db2.gz SPZOYQRSIJOZDV-TXEJJXNPSA-N 2 2 239.363 0.348 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534896 387861329 /nfs/dbraw/zinc/86/13/29/387861329.db2.gz FJWGISXWDRJDHL-IJLUTSLNSA-N 3 2 223.364 0.668 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534896 387861332 /nfs/dbraw/zinc/86/13/32/387861332.db2.gz FJWGISXWDRJDHL-IJLUTSLNSA-N 3 2 223.364 0.668 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCOCC(F)F ZINC000423072933 387874438 /nfs/dbraw/zinc/87/44/38/387874438.db2.gz QQFZJWAHLIBVBL-IUCAKERBSA-N 2 2 222.279 0.856 20 0 BCADLP CO[C@H](C)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423063682 387866697 /nfs/dbraw/zinc/86/66/97/387866697.db2.gz XEZWZOAZKQXGMH-ADEWGFFLSA-N 2 2 228.336 0.378 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000423067111 387870276 /nfs/dbraw/zinc/87/02/76/387870276.db2.gz GJIOUQWIQSFBDN-YFKTTZPYSA-N 2 2 230.352 0.766 20 0 BCADLP CC(C)C(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000442659133 387814497 /nfs/dbraw/zinc/81/44/97/387814497.db2.gz KJDHGZHDMOHEPE-NEPJUHHUSA-N 2 2 241.379 0.818 20 0 BCADLP CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000442659133 387814502 /nfs/dbraw/zinc/81/45/02/387814502.db2.gz KJDHGZHDMOHEPE-NEPJUHHUSA-N 2 2 241.379 0.818 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000442655684 387815249 /nfs/dbraw/zinc/81/52/49/387815249.db2.gz CYVMCQJRWDKNKC-LLVKDONJSA-N 2 2 235.335 0.336 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000442655684 387815255 /nfs/dbraw/zinc/81/52/55/387815255.db2.gz CYVMCQJRWDKNKC-LLVKDONJSA-N 2 2 235.335 0.336 20 0 BCADLP CC(C)C(=O)N[C@@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000442660079 387816121 /nfs/dbraw/zinc/81/61/21/387816121.db2.gz LSWSUJVVFPKDNO-GHMZBOCLSA-N 2 2 227.352 0.570 20 0 BCADLP CC(C)C(=O)N[C@@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000442660079 387816125 /nfs/dbraw/zinc/81/61/25/387816125.db2.gz LSWSUJVVFPKDNO-GHMZBOCLSA-N 2 2 227.352 0.570 20 0 BCADLP COCCCOC1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000442662631 387817494 /nfs/dbraw/zinc/81/74/94/387817494.db2.gz FPEDPLRULNUWDO-NSHDSACASA-N 2 2 230.352 0.851 20 0 BCADLP CC[C@@H]([NH2+][C@@H](C)C(=O)NCCF)[C@@H]1CCC[NH2+]1 ZINC000423113757 387895679 /nfs/dbraw/zinc/89/56/79/387895679.db2.gz LEMGHHWNVNOUDC-AXFHLTTASA-N 2 2 245.342 0.581 20 0 BCADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538391 387876550 /nfs/dbraw/zinc/87/65/50/387876550.db2.gz JDQMZCODOILRNF-FIQHERPVSA-N 3 2 229.343 0.664 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538325 387878160 /nfs/dbraw/zinc/87/81/60/387878160.db2.gz GWFKRSVDNAXBAV-XWLWVQCSSA-N 3 2 215.316 0.403 20 0 BCADLP C=Cn1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cn1 ZINC000194394743 387879131 /nfs/dbraw/zinc/87/91/31/387879131.db2.gz IWWQNXVGABWVCL-GFCCVEGCSA-N 2 2 238.335 0.386 20 0 BCADLP CCn1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1=O ZINC000423085301 387880394 /nfs/dbraw/zinc/88/03/94/387880394.db2.gz JUKCXXRLHVETPE-WCQYABFASA-N 2 2 249.358 0.956 20 0 BCADLP CC[C@H]([NH2+]CC(=O)NCC(F)F)[C@@H]1CCC[NH2+]1 ZINC000423092574 387882487 /nfs/dbraw/zinc/88/24/87/387882487.db2.gz CKOHHZLFYZPUTD-IUCAKERBSA-N 2 2 249.305 0.488 20 0 BCADLP CC[C@H]([NH2+]C[C@@H](O)C(F)F)[C@@H]1CCC[NH2+]1 ZINC000423093814 387884599 /nfs/dbraw/zinc/88/45/99/387884599.db2.gz IMZAUHYUSBJDGY-XHNCKOQMSA-N 2 2 222.279 0.733 20 0 BCADLP CC[C@@H]([NH2+]C[C@H](O)C(F)F)[C@@H]1CCC[NH2+]1 ZINC000423093813 387885861 /nfs/dbraw/zinc/88/58/61/387885861.db2.gz IMZAUHYUSBJDGY-VGMNWLOBSA-N 2 2 222.279 0.733 20 0 BCADLP CC[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)OC ZINC000423140563 387918017 /nfs/dbraw/zinc/91/80/17/387918017.db2.gz MRKKSEJUSCQLOD-HBNTYKKESA-N 2 2 200.326 0.999 20 0 BCADLP C[C@@H](CC(=O)N(C)C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154600588 387900457 /nfs/dbraw/zinc/90/04/57/387900457.db2.gz VFVKZJRFPSBWFA-QWRGUYRKSA-N 2 2 227.352 0.537 20 0 BCADLP C[C@@H](CC(=O)N(C)C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154600588 387900462 /nfs/dbraw/zinc/90/04/62/387900462.db2.gz VFVKZJRFPSBWFA-QWRGUYRKSA-N 2 2 227.352 0.537 20 0 BCADLP CC1(C)C[NH2+][C@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000645786676 387910226 /nfs/dbraw/zinc/91/02/26/387910226.db2.gz RNEIIAICJFXXRW-NSHDSACASA-N 2 2 237.347 0.291 20 0 BCADLP CC[C@H]([NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)C(=O)NC ZINC000423157135 387935961 /nfs/dbraw/zinc/93/59/61/387935961.db2.gz AJXFHMHFTJNCIF-VWYCJHECSA-N 2 2 227.352 0.631 20 0 BCADLP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000423144167 387921574 /nfs/dbraw/zinc/92/15/74/387921574.db2.gz GFFBCMLRKMNGDE-STQMWFEESA-N 3 2 243.395 0.550 20 0 BCADLP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000423144167 387921576 /nfs/dbraw/zinc/92/15/76/387921576.db2.gz GFFBCMLRKMNGDE-STQMWFEESA-N 3 2 243.395 0.550 20 0 BCADLP [NH3+][C@H]1CCCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000178323717 387924620 /nfs/dbraw/zinc/92/46/20/387924620.db2.gz MRZITRJJNNGLAM-NSHDSACASA-N 2 2 244.298 0.898 20 0 BCADLP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000423164370 387948369 /nfs/dbraw/zinc/94/83/69/387948369.db2.gz OHMMLCMLBAZOIT-WUHRBBMRSA-N 2 2 242.363 0.911 20 0 BCADLP CC[N@H+](C)CC[NH2+]C1CC(CC(=O)OC)C1 ZINC000424268974 387948839 /nfs/dbraw/zinc/94/88/39/387948839.db2.gz LTRZGHHCSYSOSU-UHFFFAOYSA-N 2 2 228.336 0.869 20 0 BCADLP CC[N@@H+](C)CC[NH2+]C1CC(CC(=O)OC)C1 ZINC000424268974 387948842 /nfs/dbraw/zinc/94/88/42/387948842.db2.gz LTRZGHHCSYSOSU-UHFFFAOYSA-N 2 2 228.336 0.869 20 0 BCADLP c1cn(CCN2CC[N@@H+]3CCC[C@H]3C2)c[nH+]1 ZINC000245573918 387961154 /nfs/dbraw/zinc/96/11/54/387961154.db2.gz AJEGMROLBUDOLW-LBPRGKRZSA-N 2 2 220.320 0.663 20 0 BCADLP c1cn(CCN2CC[N@H+]3CCC[C@H]3C2)c[nH+]1 ZINC000245573918 387961156 /nfs/dbraw/zinc/96/11/56/387961156.db2.gz AJEGMROLBUDOLW-LBPRGKRZSA-N 2 2 220.320 0.663 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H]1C1CC1)C1CC1 ZINC000453015294 387962357 /nfs/dbraw/zinc/96/23/57/387962357.db2.gz LPWZVKHBKLRAFH-CHWSQXEVSA-N 2 2 224.348 0.926 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H]1C1CC1)C1CC1 ZINC000453015294 387962359 /nfs/dbraw/zinc/96/23/59/387962359.db2.gz LPWZVKHBKLRAFH-CHWSQXEVSA-N 2 2 224.348 0.926 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H]1C1CC1)C1CC1 ZINC000453015294 387962361 /nfs/dbraw/zinc/96/23/61/387962361.db2.gz LPWZVKHBKLRAFH-CHWSQXEVSA-N 2 2 224.348 0.926 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H]1C1CC1)C1CC1 ZINC000453015294 387962363 /nfs/dbraw/zinc/96/23/63/387962363.db2.gz LPWZVKHBKLRAFH-CHWSQXEVSA-N 2 2 224.348 0.926 20 0 BCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423179961 387966548 /nfs/dbraw/zinc/96/65/48/387966548.db2.gz DOVLZUBZBZMOAL-VXGBXAGGSA-N 2 2 241.379 0.975 20 0 BCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000423202726 387989137 /nfs/dbraw/zinc/98/91/37/387989137.db2.gz LDKKKSMTMHWUCD-MNOVXSKESA-N 2 2 227.352 0.585 20 0 BCADLP COC(=O)CC1CC([NH2+]CC[NH+](C)C)C1 ZINC000424349401 387985348 /nfs/dbraw/zinc/98/53/48/387985348.db2.gz NCEJHUBSBCMALP-UHFFFAOYSA-N 2 2 214.309 0.479 20 0 BCADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423232281 388016651 /nfs/dbraw/zinc/01/66/51/388016651.db2.gz IBIWTWUUVBEEBD-UTUOFQBUSA-N 3 2 211.353 0.716 20 0 BCADLP CC[NH2+]CC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000423238852 388022994 /nfs/dbraw/zinc/02/29/94/388022994.db2.gz FJPCDMMZQZQJEN-LLVKDONJSA-N 2 2 222.336 0.997 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254771 388037618 /nfs/dbraw/zinc/03/76/18/388037618.db2.gz ZJBAUUPREIVOLS-IJLUTSLNSA-N 3 2 211.353 0.526 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254771 388037622 /nfs/dbraw/zinc/03/76/22/388037622.db2.gz ZJBAUUPREIVOLS-IJLUTSLNSA-N 3 2 211.353 0.526 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000453275633 388031528 /nfs/dbraw/zinc/03/15/28/388031528.db2.gz XBAXDTFMSMFTEX-XQQFMLRXSA-N 2 2 244.379 0.846 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000453275633 388031530 /nfs/dbraw/zinc/03/15/30/388031530.db2.gz XBAXDTFMSMFTEX-XQQFMLRXSA-N 2 2 244.379 0.846 20 0 BCADLP C[NH2+]C[C@H](C)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423274569 388055114 /nfs/dbraw/zinc/05/51/14/388055114.db2.gz MBOQGGIPACBTMR-QJPTWQEYSA-N 3 2 213.369 0.962 20 0 BCADLP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423274567 388055192 /nfs/dbraw/zinc/05/51/92/388055192.db2.gz MBOQGGIPACBTMR-GRYCIOLGSA-N 3 2 213.369 0.962 20 0 BCADLP Cn1ncnc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000083972580 388068707 /nfs/dbraw/zinc/06/87/07/388068707.db2.gz PEOLNSCTVJGRGE-JTQLQIEISA-N 2 2 223.324 0.518 20 0 BCADLP Cn1ncnc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000083972580 388068708 /nfs/dbraw/zinc/06/87/08/388068708.db2.gz PEOLNSCTVJGRGE-JTQLQIEISA-N 2 2 223.324 0.518 20 0 BCADLP CCOC(=O)[C@@H](CC)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085283491 388085824 /nfs/dbraw/zinc/08/58/24/388085824.db2.gz VIXNCHXULPMQCI-OUAUKWLOSA-N 2 2 226.320 0.479 20 0 BCADLP CCOC(=O)[C@@H](CC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085283491 388085826 /nfs/dbraw/zinc/08/58/26/388085826.db2.gz VIXNCHXULPMQCI-OUAUKWLOSA-N 2 2 226.320 0.479 20 0 BCADLP CO[C@H](C)CC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000336660029 388088000 /nfs/dbraw/zinc/08/80/00/388088000.db2.gz BAGJCPCHAQHLET-QJPTWQEYSA-N 2 2 230.352 0.768 20 0 BCADLP CC1(C)C[NH2+][C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000645969459 388100341 /nfs/dbraw/zinc/10/03/41/388100341.db2.gz PNOKHPLZWPFVPU-MRVPVSSYSA-N 2 2 208.265 0.024 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645928854 388167574 /nfs/dbraw/zinc/16/75/74/388167574.db2.gz OGFRTIJMOFYBED-VIFPVBQESA-N 2 2 222.292 0.034 20 0 BCADLP CC(C)n1ncnc1C[NH2+]CCc1c[nH+]cn1C ZINC000401772733 388168565 /nfs/dbraw/zinc/16/85/65/388168565.db2.gz PPDKCPRCXGRLAQ-UHFFFAOYSA-N 2 2 248.334 0.925 20 0 BCADLP CN(CCCn1cc[nH+]c1)C(=O)CC(C)(C)[NH3+] ZINC000646253033 388170907 /nfs/dbraw/zinc/17/09/07/388170907.db2.gz LCZUZYSVKJEFOS-UHFFFAOYSA-N 2 2 238.335 0.859 20 0 BCADLP CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000646045598 388131478 /nfs/dbraw/zinc/13/14/78/388131478.db2.gz QDJRWVRVSMJJRX-UHFFFAOYSA-N 2 2 201.314 0.006 20 0 BCADLP CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000646045598 388131481 /nfs/dbraw/zinc/13/14/81/388131481.db2.gz QDJRWVRVSMJJRX-UHFFFAOYSA-N 2 2 201.314 0.006 20 0 BCADLP CC[C@H](COC)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449389709 388191551 /nfs/dbraw/zinc/19/15/51/388191551.db2.gz DROPWOBNEMJVAO-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP CC[C@H](COC)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449389709 388191554 /nfs/dbraw/zinc/19/15/54/388191554.db2.gz DROPWOBNEMJVAO-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP CCOC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449396572 388194127 /nfs/dbraw/zinc/19/41/27/388194127.db2.gz SHNPKRRKSKPSOX-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP CCOC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449396572 388194128 /nfs/dbraw/zinc/19/41/28/388194128.db2.gz SHNPKRRKSKPSOX-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)[C@@H](C)O ZINC000449543206 388228571 /nfs/dbraw/zinc/22/85/71/388228571.db2.gz NWTFMFXQIMHZIO-ZRUFSTJUSA-N 2 2 200.326 0.686 20 0 BCADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)[C@@H](C)O ZINC000449543206 388228572 /nfs/dbraw/zinc/22/85/72/388228572.db2.gz NWTFMFXQIMHZIO-ZRUFSTJUSA-N 2 2 200.326 0.686 20 0 BCADLP C[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@H](C)[N@H+]1CCO ZINC000449547929 388230080 /nfs/dbraw/zinc/23/00/80/388230080.db2.gz ZCAOKMBYDWCKSL-PHIMTYICSA-N 2 2 238.335 0.297 20 0 BCADLP C[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@H](C)[N@@H+]1CCO ZINC000449547929 388230082 /nfs/dbraw/zinc/23/00/82/388230082.db2.gz ZCAOKMBYDWCKSL-PHIMTYICSA-N 2 2 238.335 0.297 20 0 BCADLP Cc1nc(N2CC[N@H+](CCO)[C@@H](C)C2)cc[nH+]1 ZINC000490049830 388232709 /nfs/dbraw/zinc/23/27/09/388232709.db2.gz ZBIMKEISBRWJOF-JTQLQIEISA-N 2 2 236.319 0.288 20 0 BCADLP Cc1nc(N2CC[N@@H+](CCO)[C@@H](C)C2)cc[nH+]1 ZINC000490049830 388232710 /nfs/dbraw/zinc/23/27/10/388232710.db2.gz ZBIMKEISBRWJOF-JTQLQIEISA-N 2 2 236.319 0.288 20 0 BCADLP C[NH+](C)C/C=C\C(=O)NCCn1cc[nH+]c1 ZINC000491873437 388325427 /nfs/dbraw/zinc/32/54/27/388325427.db2.gz TZOGOVBRTQQPHQ-ARJAWSKDSA-N 2 2 222.292 0.117 20 0 BCADLP CNC(=O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230023077 388348470 /nfs/dbraw/zinc/34/84/70/388348470.db2.gz YZCOUSFISQPULM-UHFFFAOYSA-N 2 2 235.331 0.583 20 0 BCADLP CNC(=O)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230023077 388348473 /nfs/dbraw/zinc/34/84/73/388348473.db2.gz YZCOUSFISQPULM-UHFFFAOYSA-N 2 2 235.331 0.583 20 0 BCADLP COC[C@H](C)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000163339195 388361205 /nfs/dbraw/zinc/36/12/05/388361205.db2.gz DGDACUNHUXIJOM-NEPJUHHUSA-N 2 2 229.368 0.104 20 0 BCADLP COC[C@H](C)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000163339195 388361207 /nfs/dbraw/zinc/36/12/07/388361207.db2.gz DGDACUNHUXIJOM-NEPJUHHUSA-N 2 2 229.368 0.104 20 0 BCADLP CO[C@@H]1COC[C@@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000572737409 388368966 /nfs/dbraw/zinc/36/89/66/388368966.db2.gz ZZPUEBMOWFSABQ-WDEREUQCSA-N 2 2 225.292 0.232 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC2(C[NH3+])CC2)C1 ZINC000572879710 388383340 /nfs/dbraw/zinc/38/33/40/388383340.db2.gz SWSNHQNGLDTCHI-MNOVXSKESA-N 3 2 211.353 0.785 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC2(C[NH3+])CC2)C1 ZINC000572879710 388383342 /nfs/dbraw/zinc/38/33/42/388383342.db2.gz SWSNHQNGLDTCHI-MNOVXSKESA-N 3 2 211.353 0.785 20 0 BCADLP C[NH+](C)CC(C)(C)[NH2+]CCc1cnccn1 ZINC000402616126 388391906 /nfs/dbraw/zinc/39/19/06/388391906.db2.gz ZMMAESCTTRNNDX-UHFFFAOYSA-N 2 2 222.336 0.949 20 0 BCADLP CC[N@H+](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000572973259 388401097 /nfs/dbraw/zinc/40/10/97/388401097.db2.gz RMFPTVINWDXIIV-SNVBAGLBSA-N 2 2 238.335 0.656 20 0 BCADLP CC[N@@H+](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000572973259 388401099 /nfs/dbraw/zinc/40/10/99/388401099.db2.gz RMFPTVINWDXIIV-SNVBAGLBSA-N 2 2 238.335 0.656 20 0 BCADLP CC[N@H+](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000572973259 388401101 /nfs/dbraw/zinc/40/11/01/388401101.db2.gz RMFPTVINWDXIIV-SNVBAGLBSA-N 2 2 238.335 0.656 20 0 BCADLP CC[N@@H+](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000572973259 388401102 /nfs/dbraw/zinc/40/11/02/388401102.db2.gz RMFPTVINWDXIIV-SNVBAGLBSA-N 2 2 238.335 0.656 20 0 BCADLP COC(=O)CC[NH2+]C(C)(C)C[NH+](C)C ZINC000308580209 388443609 /nfs/dbraw/zinc/44/36/09/388443609.db2.gz UWDZQRHOKPCGBD-UHFFFAOYSA-N 2 2 202.298 0.479 20 0 BCADLP CC[C@@H](CO)[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000308592798 388443945 /nfs/dbraw/zinc/44/39/45/388443945.db2.gz LBFFIVSYKJVSBC-DCAQKATOSA-N 2 2 200.326 0.687 20 0 BCADLP CC[C@@H](CO)[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000308592798 388443946 /nfs/dbraw/zinc/44/39/46/388443946.db2.gz LBFFIVSYKJVSBC-DCAQKATOSA-N 2 2 200.326 0.687 20 0 BCADLP C[C@@H](O)C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308634935 388445625 /nfs/dbraw/zinc/44/56/25/388445625.db2.gz MJFDYSVMXJQEAE-SNVBAGLBSA-N 2 2 200.326 0.831 20 0 BCADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCCC1 ZINC000335312132 388449812 /nfs/dbraw/zinc/44/98/12/388449812.db2.gz BTPJYJHURLKVMK-NEPJUHHUSA-N 2 2 237.347 0.293 20 0 BCADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCCC1 ZINC000335312132 388449813 /nfs/dbraw/zinc/44/98/13/388449813.db2.gz BTPJYJHURLKVMK-NEPJUHHUSA-N 2 2 237.347 0.293 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(C)C2)C[N@@H+]1C1CC1 ZINC000336669707 388461525 /nfs/dbraw/zinc/46/15/25/388461525.db2.gz APEPACRCMPSPCN-OUAUKWLOSA-N 2 2 237.347 0.432 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(C)C2)C[N@H+]1C1CC1 ZINC000336669707 388461527 /nfs/dbraw/zinc/46/15/27/388461527.db2.gz APEPACRCMPSPCN-OUAUKWLOSA-N 2 2 237.347 0.432 20 0 BCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000245535972 388422237 /nfs/dbraw/zinc/42/22/37/388422237.db2.gz LBMSABPWOQZGLO-NEPJUHHUSA-N 2 2 239.363 0.491 20 0 BCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000245535972 388422241 /nfs/dbraw/zinc/42/22/41/388422241.db2.gz LBMSABPWOQZGLO-NEPJUHHUSA-N 2 2 239.363 0.491 20 0 BCADLP Cc1cc(NC(=O)N[C@H]2CCC[NH2+]C2)c(C)c[nH+]1 ZINC000573220417 388434290 /nfs/dbraw/zinc/43/42/90/388434290.db2.gz WIASCJBJBDYLHN-NSHDSACASA-N 2 2 248.330 0.994 20 0 BCADLP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2nc3ncccn3n2)C1 ZINC000517041365 256813027 /nfs/dbraw/zinc/81/30/27/256813027.db2.gz OINMFOCEDXXPCJ-UWVGGRQHSA-N 2 2 246.318 0.484 20 0 BCADLP c1[nH]nc(-c2cccnc2)c1C[NH2+][C@H]1CC[NH2+]C1 ZINC000516878678 388522853 /nfs/dbraw/zinc/52/28/53/388522853.db2.gz SLBAMDLOIBRGAF-LBPRGKRZSA-N 2 2 243.314 0.923 20 0 BCADLP C[NH2+]Cc1noc(CC[C@H]2CC[NH2+]C2)n1 ZINC000516926712 388524670 /nfs/dbraw/zinc/52/46/70/388524670.db2.gz XUWWFYRZLNPDNW-QMMMGPOBSA-N 2 2 210.281 0.331 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@H]1O ZINC000351714145 388532724 /nfs/dbraw/zinc/53/27/24/388532724.db2.gz ZLZULYQMLJVEBD-RTXFEEFZSA-N 2 2 242.363 0.144 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@H]1O ZINC000351714145 388532727 /nfs/dbraw/zinc/53/27/27/388532727.db2.gz ZLZULYQMLJVEBD-RTXFEEFZSA-N 2 2 242.363 0.144 20 0 BCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@@H]1O ZINC000351714145 388532731 /nfs/dbraw/zinc/53/27/31/388532731.db2.gz ZLZULYQMLJVEBD-RTXFEEFZSA-N 2 2 242.363 0.144 20 0 BCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@@H]1O ZINC000351714145 388532732 /nfs/dbraw/zinc/53/27/32/388532732.db2.gz ZLZULYQMLJVEBD-RTXFEEFZSA-N 2 2 242.363 0.144 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1C(N)=O ZINC000245572839 388590896 /nfs/dbraw/zinc/59/08/96/388590896.db2.gz HBDZGHMRDFRMAH-NEPJUHHUSA-N 2 2 239.363 0.811 20 0 BCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1C(N)=O ZINC000245572839 388590897 /nfs/dbraw/zinc/59/08/97/388590897.db2.gz HBDZGHMRDFRMAH-NEPJUHHUSA-N 2 2 239.363 0.811 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@H]1C(N)=O ZINC000245572839 388590899 /nfs/dbraw/zinc/59/08/99/388590899.db2.gz HBDZGHMRDFRMAH-NEPJUHHUSA-N 2 2 239.363 0.811 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@H]1C(N)=O ZINC000245572839 388590901 /nfs/dbraw/zinc/59/09/01/388590901.db2.gz HBDZGHMRDFRMAH-NEPJUHHUSA-N 2 2 239.363 0.811 20 0 BCADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CCNC1=O ZINC000245689107 388598596 /nfs/dbraw/zinc/59/85/96/388598596.db2.gz OWZNLGOPBBLUIY-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CCNC1=O ZINC000245689107 388598599 /nfs/dbraw/zinc/59/85/99/388598599.db2.gz OWZNLGOPBBLUIY-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCNC1=O ZINC000245689107 388598601 /nfs/dbraw/zinc/59/86/01/388598601.db2.gz OWZNLGOPBBLUIY-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@H]1CCNC1=O ZINC000245689107 388598604 /nfs/dbraw/zinc/59/86/04/388598604.db2.gz OWZNLGOPBBLUIY-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP CCC(=O)N[C@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000261580316 135221211 /nfs/dbraw/zinc/22/12/11/135221211.db2.gz MXVLTVVPMMJAJH-UWVGGRQHSA-N 2 2 213.325 0.324 20 0 BCADLP CCC(=O)N[C@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000261580316 135221213 /nfs/dbraw/zinc/22/12/13/135221213.db2.gz MXVLTVVPMMJAJH-UWVGGRQHSA-N 2 2 213.325 0.324 20 0 BCADLP C[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)C[C@H]1[NH3+] ZINC000521010026 388559880 /nfs/dbraw/zinc/55/98/80/388559880.db2.gz FYFBCGUEFCQRFG-PSASIEDQSA-N 2 2 233.319 0.834 20 0 BCADLP CCC(C)(C)CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000646832036 388562524 /nfs/dbraw/zinc/56/25/24/388562524.db2.gz ZZXFPOQUGXTBMD-LLVKDONJSA-N 2 2 241.379 0.914 20 0 BCADLP COCC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528729235 388563411 /nfs/dbraw/zinc/56/34/11/388563411.db2.gz HIAMCIQEKAKVAF-UHFFFAOYSA-N 2 2 242.363 0.820 20 0 BCADLP CC(C)[C@@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000521267533 388567018 /nfs/dbraw/zinc/56/70/18/388567018.db2.gz RSGMXJZZDSHLMQ-NSHDSACASA-N 2 2 238.335 0.549 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@@H]1COCC[NH2+]1 ZINC000530181714 388623235 /nfs/dbraw/zinc/62/32/35/388623235.db2.gz MTLUUIVYUIGJQF-NQBHXWOUSA-N 2 2 239.363 0.047 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@@H]1COCC[NH2+]1 ZINC000530181714 388623238 /nfs/dbraw/zinc/62/32/38/388623238.db2.gz MTLUUIVYUIGJQF-NQBHXWOUSA-N 2 2 239.363 0.047 20 0 BCADLP CC[C@H]([NH2+]Cc1cnnn1CC)[C@@H]1CCC[NH2+]1 ZINC000530212355 388627480 /nfs/dbraw/zinc/62/74/80/388627480.db2.gz RDXYPLGCSFWGSZ-RYUDHWBXSA-N 2 2 237.351 0.918 20 0 BCADLP CC[C@@H]([NH2+]Cc1cnnn1CC)[C@@H]1CCC[NH2+]1 ZINC000530212354 388627574 /nfs/dbraw/zinc/62/75/74/388627574.db2.gz RDXYPLGCSFWGSZ-NEPJUHHUSA-N 2 2 237.351 0.918 20 0 BCADLP CCn1ncc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)n1 ZINC000530213473 388628859 /nfs/dbraw/zinc/62/88/59/388628859.db2.gz VSZWHTKXSOPKHT-CMPLNLGQSA-N 2 2 237.351 0.776 20 0 BCADLP O=C1Nc2ccccc2C[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000530220709 388632825 /nfs/dbraw/zinc/63/28/25/388632825.db2.gz CWSMUOCYRXNZHT-CYBMUJFWSA-N 2 2 245.326 0.891 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC12CC(C1)CO2 ZINC000530224751 388634411 /nfs/dbraw/zinc/63/44/11/388634411.db2.gz YBYORFLLVVKXAI-IGJPJIBNSA-N 2 2 240.347 0.522 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154600924 388634602 /nfs/dbraw/zinc/63/46/02/388634602.db2.gz VFVKZJRFPSBWFA-GHMZBOCLSA-N 2 2 227.352 0.537 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154600924 388634604 /nfs/dbraw/zinc/63/46/04/388634604.db2.gz VFVKZJRFPSBWFA-GHMZBOCLSA-N 2 2 227.352 0.537 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000530233340 388636357 /nfs/dbraw/zinc/63/63/57/388636357.db2.gz FASGPHUZOHKHAO-LLVKDONJSA-N 2 2 236.319 0.929 20 0 BCADLP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000530233340 388636359 /nfs/dbraw/zinc/63/63/59/388636359.db2.gz FASGPHUZOHKHAO-LLVKDONJSA-N 2 2 236.319 0.929 20 0 BCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000551921750 388647687 /nfs/dbraw/zinc/64/76/87/388647687.db2.gz JXNMGFGQIRDKAU-NXEZZACHSA-N 2 2 248.330 0.335 20 0 BCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000551921750 388647689 /nfs/dbraw/zinc/64/76/89/388647689.db2.gz JXNMGFGQIRDKAU-NXEZZACHSA-N 2 2 248.330 0.335 20 0 BCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000551921750 388647690 /nfs/dbraw/zinc/64/76/90/388647690.db2.gz JXNMGFGQIRDKAU-NXEZZACHSA-N 2 2 248.330 0.335 20 0 BCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000551921750 388647693 /nfs/dbraw/zinc/64/76/93/388647693.db2.gz JXNMGFGQIRDKAU-NXEZZACHSA-N 2 2 248.330 0.335 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000229642952 388798400 /nfs/dbraw/zinc/79/84/00/388798400.db2.gz SLUJQTUAWCSIST-GARJFASQSA-N 2 2 200.326 0.951 20 0 BCADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000229642956 388798541 /nfs/dbraw/zinc/79/85/41/388798541.db2.gz SLUJQTUAWCSIST-OUAUKWLOSA-N 2 2 200.326 0.951 20 0 BCADLP COc1cc[nH+]cc1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000554366807 388811595 /nfs/dbraw/zinc/81/15/95/388811595.db2.gz JKERRUOBYLPZFA-SNVBAGLBSA-N 2 2 249.314 0.658 20 0 BCADLP COc1cc[nH+]cc1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000554366807 388811599 /nfs/dbraw/zinc/81/15/99/388811599.db2.gz JKERRUOBYLPZFA-SNVBAGLBSA-N 2 2 249.314 0.658 20 0 BCADLP COCCOCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000129592439 388854704 /nfs/dbraw/zinc/85/47/04/388854704.db2.gz CCDCFCWJUHMPKI-RYUDHWBXSA-N 2 2 242.363 0.864 20 0 BCADLP COCCOCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000129592439 388854709 /nfs/dbraw/zinc/85/47/09/388854709.db2.gz CCDCFCWJUHMPKI-RYUDHWBXSA-N 2 2 242.363 0.864 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)CC[N@@H+]1C ZINC000129661885 388863319 /nfs/dbraw/zinc/86/33/19/388863319.db2.gz OYTGZFIXSMDBGO-NWDGAFQWSA-N 3 2 222.336 0.955 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)CC[N@H+]1C ZINC000129661885 388863321 /nfs/dbraw/zinc/86/33/21/388863321.db2.gz OYTGZFIXSMDBGO-NWDGAFQWSA-N 3 2 222.336 0.955 20 0 BCADLP C[C@@H](C[NH3+])CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000564664540 388883445 /nfs/dbraw/zinc/88/34/45/388883445.db2.gz UTPHIUBXEOZATB-UWVGGRQHSA-N 2 2 224.308 0.545 20 0 BCADLP C[NH2+]Cc1noc(CCC2CC[NH2+]CC2)n1 ZINC000564798570 388889676 /nfs/dbraw/zinc/88/96/76/388889676.db2.gz XZIYORHJYPZPOK-UHFFFAOYSA-N 2 2 224.308 0.721 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@H](C)O ZINC000564868187 388896322 /nfs/dbraw/zinc/89/63/22/388896322.db2.gz DECNJYROVSEIOV-HRDYMLBCSA-N 2 2 209.293 0.626 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@H](C)O ZINC000564868187 388896326 /nfs/dbraw/zinc/89/63/26/388896326.db2.gz DECNJYROVSEIOV-HRDYMLBCSA-N 2 2 209.293 0.626 20 0 BCADLP CC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000565174717 388922068 /nfs/dbraw/zinc/92/20/68/388922068.db2.gz YKNSDLVLBZFICJ-QJPTWQEYSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000565174717 388922069 /nfs/dbraw/zinc/92/20/69/388922069.db2.gz YKNSDLVLBZFICJ-QJPTWQEYSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000565174717 388922071 /nfs/dbraw/zinc/92/20/71/388922071.db2.gz YKNSDLVLBZFICJ-QJPTWQEYSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000565174717 388922072 /nfs/dbraw/zinc/92/20/72/388922072.db2.gz YKNSDLVLBZFICJ-QJPTWQEYSA-N 2 2 212.337 0.926 20 0 BCADLP CC(=O)N1CC([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000565218234 388927087 /nfs/dbraw/zinc/92/70/87/388927087.db2.gz MGFZXPSYKKQBID-NOZJJQNGSA-N 2 2 237.347 0.289 20 0 BCADLP CC[NH2+]CCCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000565249796 388932195 /nfs/dbraw/zinc/93/21/95/388932195.db2.gz ITVIMVWGJPHOCD-UHFFFAOYSA-N 2 2 239.323 0.551 20 0 BCADLP CC[NH2+]CCCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000565249796 388932198 /nfs/dbraw/zinc/93/21/98/388932198.db2.gz ITVIMVWGJPHOCD-UHFFFAOYSA-N 2 2 239.323 0.551 20 0 BCADLP [NH3+]CCOCC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000564989455 388904942 /nfs/dbraw/zinc/90/49/42/388904942.db2.gz LMRYWDQQRIYWDD-STQMWFEESA-N 3 2 241.379 0.568 20 0 BCADLP [NH3+]CCOCC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000564989455 388904944 /nfs/dbraw/zinc/90/49/44/388904944.db2.gz LMRYWDQQRIYWDD-STQMWFEESA-N 3 2 241.379 0.568 20 0 BCADLP COCC[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000153320696 388961276 /nfs/dbraw/zinc/96/12/76/388961276.db2.gz UGTSLFSEOHHBQG-STQMWFEESA-N 2 2 244.379 0.969 20 0 BCADLP CC(C)[NH2+]Cc1nc(C2([NH3+])CCC2)no1 ZINC000565312945 388937793 /nfs/dbraw/zinc/93/77/93/388937793.db2.gz FDIOHCUIJZVQEL-UHFFFAOYSA-N 2 2 210.281 0.906 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000565363663 388939165 /nfs/dbraw/zinc/93/91/65/388939165.db2.gz NYPWGKXIVLLITG-CHWSQXEVSA-N 3 2 225.380 0.917 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000565363663 388939169 /nfs/dbraw/zinc/93/91/69/388939169.db2.gz NYPWGKXIVLLITG-CHWSQXEVSA-N 3 2 225.380 0.917 20 0 BCADLP C[C@@H](CC(=O)N1CC[NH2+]C[C@@H]1C)n1cc[nH+]c1 ZINC000565956579 388980606 /nfs/dbraw/zinc/98/06/06/388980606.db2.gz ARLHANYFGJVNGA-QWRGUYRKSA-N 2 2 236.319 0.655 20 0 BCADLP CC[C@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@H]1O ZINC000272011284 389027946 /nfs/dbraw/zinc/02/79/46/389027946.db2.gz JXQRVGDTQBPELM-NWDGAFQWSA-N 2 2 223.320 0.976 20 0 BCADLP CC[C@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@H]1O ZINC000272011284 389027948 /nfs/dbraw/zinc/02/79/48/389027948.db2.gz JXQRVGDTQBPELM-NWDGAFQWSA-N 2 2 223.320 0.976 20 0 BCADLP CCC[C@H]([NH3+])C(=O)NCc1[nH]c[nH+]c1C ZINC000269267299 389008266 /nfs/dbraw/zinc/00/82/66/389008266.db2.gz QFAGZZNBOUUCDF-QMMMGPOBSA-N 2 2 210.281 0.462 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000269264418 389008689 /nfs/dbraw/zinc/00/86/89/389008689.db2.gz OJLNWPLXYIIZQZ-ZJUUUORDSA-N 2 2 236.319 0.852 20 0 BCADLP Cc1cccc(N2CC[N@@H+]3CCOC[C@H]3C2)[nH+]1 ZINC000354818031 132270223 /nfs/dbraw/zinc/27/02/23/132270223.db2.gz KVDAGHHQMVNJIH-GFCCVEGCSA-N 2 2 233.315 0.911 20 0 BCADLP Cc1cccc(N2CC[N@H+]3CCOC[C@H]3C2)[nH+]1 ZINC000354818031 132270226 /nfs/dbraw/zinc/27/02/26/132270226.db2.gz KVDAGHHQMVNJIH-GFCCVEGCSA-N 2 2 233.315 0.911 20 0 BCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1c[nH+]cn1C ZINC000335946481 134020539 /nfs/dbraw/zinc/02/05/39/134020539.db2.gz SMOJESAACRWMLQ-QWRGUYRKSA-N 2 2 222.336 0.945 20 0 BCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1c[nH+]cn1C ZINC000335946481 134020540 /nfs/dbraw/zinc/02/05/40/134020540.db2.gz SMOJESAACRWMLQ-QWRGUYRKSA-N 2 2 222.336 0.945 20 0 BCADLP O=C(NC[C@@H]1CCC[NH2+]C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000336031414 134058279 /nfs/dbraw/zinc/05/82/79/134058279.db2.gz BIZLLANXHHHGDO-RKDXNWHRSA-N 2 2 247.289 0.099 20 0 BCADLP O=C(NC[C@H]1CCC[NH2+]C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000336031412 134058376 /nfs/dbraw/zinc/05/83/76/134058376.db2.gz BIZLLANXHHHGDO-DTWKUNHWSA-N 2 2 247.289 0.099 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000336170978 134115072 /nfs/dbraw/zinc/11/50/72/134115072.db2.gz SDOPUCBWVMKMDQ-MNOVXSKESA-N 2 2 208.309 0.867 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000336170978 134115073 /nfs/dbraw/zinc/11/50/73/134115073.db2.gz SDOPUCBWVMKMDQ-MNOVXSKESA-N 2 2 208.309 0.867 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000336170955 134115199 /nfs/dbraw/zinc/11/51/99/134115199.db2.gz PSOXGDGDQRLYOS-MNOVXSKESA-N 2 2 225.336 0.420 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000336170955 134115200 /nfs/dbraw/zinc/11/52/00/134115200.db2.gz PSOXGDGDQRLYOS-MNOVXSKESA-N 2 2 225.336 0.420 20 0 BCADLP CCn1c[nH+]cc1CNC[C@H](C)[NH+](C)C ZINC000085183669 134224681 /nfs/dbraw/zinc/22/46/81/134224681.db2.gz QHRFNJPTXXSROR-JTQLQIEISA-N 2 2 210.325 0.943 20 0 BCADLP C[C@H]1CO[C@H](CO)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000168608281 134231522 /nfs/dbraw/zinc/23/15/22/134231522.db2.gz FVWYMBDTTGHWBN-RYUDHWBXSA-N 2 2 239.319 0.355 20 0 BCADLP C[C@H]1CO[C@H](CO)C[N@H+]1CCCn1cc[nH+]c1 ZINC000168608281 134231523 /nfs/dbraw/zinc/23/15/23/134231523.db2.gz FVWYMBDTTGHWBN-RYUDHWBXSA-N 2 2 239.319 0.355 20 0 BCADLP C[C@@H]1CO[C@H](CO)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000168608171 134231666 /nfs/dbraw/zinc/23/16/66/134231666.db2.gz FVWYMBDTTGHWBN-NEPJUHHUSA-N 2 2 239.319 0.355 20 0 BCADLP C[C@@H]1CO[C@H](CO)C[N@H+]1CCCn1cc[nH+]c1 ZINC000168608171 134231667 /nfs/dbraw/zinc/23/16/67/134231667.db2.gz FVWYMBDTTGHWBN-NEPJUHHUSA-N 2 2 239.319 0.355 20 0 BCADLP COC[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000173536506 134275471 /nfs/dbraw/zinc/27/54/71/134275471.db2.gz OVVFYJSJNPDDFT-QWHCGFSZSA-N 2 2 242.363 0.675 20 0 BCADLP COC[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000173536506 134275472 /nfs/dbraw/zinc/27/54/72/134275472.db2.gz OVVFYJSJNPDDFT-QWHCGFSZSA-N 2 2 242.363 0.675 20 0 BCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC000177033433 134293475 /nfs/dbraw/zinc/29/34/75/134293475.db2.gz UWDPPBLLHORTNS-NSHDSACASA-N 2 2 227.352 0.396 20 0 BCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC000177033433 134293476 /nfs/dbraw/zinc/29/34/76/134293476.db2.gz UWDPPBLLHORTNS-NSHDSACASA-N 2 2 227.352 0.396 20 0 BCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC000177033433 134293477 /nfs/dbraw/zinc/29/34/77/134293477.db2.gz UWDPPBLLHORTNS-NSHDSACASA-N 2 2 227.352 0.396 20 0 BCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC000177033433 134293478 /nfs/dbraw/zinc/29/34/78/134293478.db2.gz UWDPPBLLHORTNS-NSHDSACASA-N 2 2 227.352 0.396 20 0 BCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H](C)[NH3+] ZINC000178809849 134315135 /nfs/dbraw/zinc/31/51/35/134315135.db2.gz HMRGWJKIGUFDDK-VIFPVBQESA-N 2 2 224.308 0.503 20 0 BCADLP CC(=O)N1CCC([NH2+]C[C@H]2CCC[N@H+]2C)CC1 ZINC000221149380 134316880 /nfs/dbraw/zinc/31/68/80/134316880.db2.gz SQPCSZNMUZABBO-CYBMUJFWSA-N 2 2 239.363 0.681 20 0 BCADLP CC(=O)N1CCC([NH2+]C[C@H]2CCC[N@@H+]2C)CC1 ZINC000221149380 134316881 /nfs/dbraw/zinc/31/68/81/134316881.db2.gz SQPCSZNMUZABBO-CYBMUJFWSA-N 2 2 239.363 0.681 20 0 BCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC1CC1 ZINC000180440230 134327481 /nfs/dbraw/zinc/32/74/81/134327481.db2.gz LRDITSPIEKCZFJ-UHFFFAOYSA-N 2 2 225.336 0.102 20 0 BCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)CC1CC1 ZINC000180440230 134327482 /nfs/dbraw/zinc/32/74/82/134327482.db2.gz LRDITSPIEKCZFJ-UHFFFAOYSA-N 2 2 225.336 0.102 20 0 BCADLP CCn1cnnc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222027313 134329179 /nfs/dbraw/zinc/32/91/79/134329179.db2.gz KNEZPDMFAAGYLY-WDEREUQCSA-N 2 2 237.351 0.870 20 0 BCADLP CCn1cnnc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222027313 134329180 /nfs/dbraw/zinc/32/91/80/134329180.db2.gz KNEZPDMFAAGYLY-WDEREUQCSA-N 2 2 237.351 0.870 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)CC[N@@H+]1C ZINC000222608302 134333870 /nfs/dbraw/zinc/33/38/70/134333870.db2.gz IBYJUUMRZORNSY-HRDYMLBCSA-N 2 2 240.269 0.982 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)CC[N@H+]1C ZINC000222608302 134333871 /nfs/dbraw/zinc/33/38/71/134333871.db2.gz IBYJUUMRZORNSY-HRDYMLBCSA-N 2 2 240.269 0.982 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)[C@@H]1CCOC1 ZINC000223417635 134339541 /nfs/dbraw/zinc/33/95/41/134339541.db2.gz VMZDGVYMYKODQZ-XQQFMLRXSA-N 2 2 241.379 0.247 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)[C@@H]1CCOC1 ZINC000223417635 134339542 /nfs/dbraw/zinc/33/95/42/134339542.db2.gz VMZDGVYMYKODQZ-XQQFMLRXSA-N 2 2 241.379 0.247 20 0 BCADLP C[C@H](O)CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000223585601 134340815 /nfs/dbraw/zinc/34/08/15/134340815.db2.gz ZFKFLMFPSVKJIE-VWYCJHECSA-N 2 2 212.337 0.972 20 0 BCADLP C[C@H](O)CC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000223585601 134340816 /nfs/dbraw/zinc/34/08/16/134340816.db2.gz ZFKFLMFPSVKJIE-VWYCJHECSA-N 2 2 212.337 0.972 20 0 BCADLP CC[C@@H](COC)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000070656830 135008109 /nfs/dbraw/zinc/00/81/09/135008109.db2.gz CNDGKVXNCHBXNW-NWDGAFQWSA-N 2 2 229.368 0.247 20 0 BCADLP CC[C@@H](COC)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000070656830 135008111 /nfs/dbraw/zinc/00/81/11/135008111.db2.gz CNDGKVXNCHBXNW-NWDGAFQWSA-N 2 2 229.368 0.247 20 0 BCADLP CC(C)[C@@](C)(O)C[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000248430989 135009150 /nfs/dbraw/zinc/00/91/50/135009150.db2.gz WXHWIVCTRUXBSA-STQMWFEESA-N 2 2 244.379 0.656 20 0 BCADLP CC(C)[C@@](C)(O)C[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000248430989 135009152 /nfs/dbraw/zinc/00/91/52/135009152.db2.gz WXHWIVCTRUXBSA-STQMWFEESA-N 2 2 244.379 0.656 20 0 BCADLP CO[C@H](C)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248434947 135009212 /nfs/dbraw/zinc/00/92/12/135009212.db2.gz RIWBTNSTGKOQGJ-OLZOCXBDSA-N 2 2 242.363 0.675 20 0 BCADLP CO[C@H](C)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248434947 135009215 /nfs/dbraw/zinc/00/92/15/135009215.db2.gz RIWBTNSTGKOQGJ-OLZOCXBDSA-N 2 2 242.363 0.675 20 0 BCADLP O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CCCn1cc[nH+]c1 ZINC000249613807 135041891 /nfs/dbraw/zinc/04/18/91/135041891.db2.gz SLOHFNBDAHBUJO-QSLWVIQJSA-N 2 2 247.342 0.974 20 0 BCADLP O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2CCCn1cc[nH+]c1 ZINC000249613807 135041893 /nfs/dbraw/zinc/04/18/93/135041893.db2.gz SLOHFNBDAHBUJO-QSLWVIQJSA-N 2 2 247.342 0.974 20 0 BCADLP O[C@@H]1CCC[C@H]1C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000250656568 135057027 /nfs/dbraw/zinc/05/70/27/135057027.db2.gz OEHHPOYFDCDVMZ-GMXVVIOVSA-N 2 2 224.348 0.974 20 0 BCADLP O[C@@H]1CCC[C@H]1C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000250656568 135057030 /nfs/dbraw/zinc/05/70/30/135057030.db2.gz OEHHPOYFDCDVMZ-GMXVVIOVSA-N 2 2 224.348 0.974 20 0 BCADLP C[NH+](C)CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000251123208 135064460 /nfs/dbraw/zinc/06/44/60/135064460.db2.gz FLRXZNLSQCUWQQ-HBNTYKKESA-N 2 2 212.337 0.951 20 0 BCADLP OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000086730035 135095271 /nfs/dbraw/zinc/09/52/71/135095271.db2.gz GZLRFRBGMXAHBJ-CHWSQXEVSA-N 2 2 220.316 0.542 20 0 BCADLP COC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000252712860 135100399 /nfs/dbraw/zinc/10/03/99/135100399.db2.gz NPEFRPYVKBVGFZ-JBLDHEPKSA-N 2 2 228.336 0.209 20 0 BCADLP COC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000252712860 135100401 /nfs/dbraw/zinc/10/04/01/135100401.db2.gz NPEFRPYVKBVGFZ-JBLDHEPKSA-N 2 2 228.336 0.209 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cn1 ZINC000257708903 135100518 /nfs/dbraw/zinc/10/05/18/135100518.db2.gz SFTPAPVNJAPAGY-ZDUSSCGKSA-N 2 2 234.347 0.996 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cn1 ZINC000257708903 135100522 /nfs/dbraw/zinc/10/05/22/135100522.db2.gz SFTPAPVNJAPAGY-ZDUSSCGKSA-N 2 2 234.347 0.996 20 0 BCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)CC[C@@H]1[NH3+] ZINC000086887048 135100648 /nfs/dbraw/zinc/10/06/48/135100648.db2.gz VOKCQMVFBZWHEZ-KOLCDFICSA-N 2 2 225.336 0.276 20 0 BCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)CC[C@@H]1[NH3+] ZINC000086887048 135100651 /nfs/dbraw/zinc/10/06/51/135100651.db2.gz VOKCQMVFBZWHEZ-KOLCDFICSA-N 2 2 225.336 0.276 20 0 BCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)CC[C@@H]1[NH3+] ZINC000086886337 135100891 /nfs/dbraw/zinc/10/08/91/135100891.db2.gz GCDJRJSGWORBAR-MNOVXSKESA-N 2 2 225.336 0.278 20 0 BCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)CC[C@@H]1[NH3+] ZINC000086886337 135100892 /nfs/dbraw/zinc/10/08/92/135100892.db2.gz GCDJRJSGWORBAR-MNOVXSKESA-N 2 2 225.336 0.278 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NCc1[nH]cc[nH+]1 ZINC000252740085 135105518 /nfs/dbraw/zinc/10/55/18/135105518.db2.gz GIKGRWPVQYYTPK-GXSJLCMTSA-N 2 2 220.320 0.982 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NCc1[nH]cc[nH+]1 ZINC000252740085 135105520 /nfs/dbraw/zinc/10/55/20/135105520.db2.gz GIKGRWPVQYYTPK-GXSJLCMTSA-N 2 2 220.320 0.982 20 0 BCADLP [NH3+]CC[N@H+](CCO)CCC1CCCC1 ZINC000261532173 135109117 /nfs/dbraw/zinc/10/91/17/135109117.db2.gz JMKCFQIPWUISCF-UHFFFAOYSA-N 2 2 200.326 0.820 20 0 BCADLP [NH3+]CC[N@@H+](CCO)CCC1CCCC1 ZINC000261532173 135109118 /nfs/dbraw/zinc/10/91/18/135109118.db2.gz JMKCFQIPWUISCF-UHFFFAOYSA-N 2 2 200.326 0.820 20 0 BCADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)c2ccccc21 ZINC000252787582 135109779 /nfs/dbraw/zinc/10/97/79/135109779.db2.gz QOUKPKPKKGJBLQ-FRRDWIJNSA-N 2 2 245.326 0.999 20 0 BCADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000252961122 135118039 /nfs/dbraw/zinc/11/80/39/135118039.db2.gz NYWPMZZRILMBFW-UPJWGTAASA-N 3 2 243.395 0.683 20 0 BCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cnnn1C ZINC000253189721 135124262 /nfs/dbraw/zinc/12/42/62/135124262.db2.gz KMXCVRSLSFBBRE-MWLCHTKSSA-N 2 2 223.324 0.245 20 0 BCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cnnn1C ZINC000253189721 135124264 /nfs/dbraw/zinc/12/42/64/135124264.db2.gz KMXCVRSLSFBBRE-MWLCHTKSSA-N 2 2 223.324 0.245 20 0 BCADLP CC(C)N(C)C(=O)C1CC[NH+](CC[NH3+])CC1 ZINC000258705004 135133526 /nfs/dbraw/zinc/13/35/26/135133526.db2.gz LMQULQWRMHRHOO-UHFFFAOYSA-N 2 2 227.352 0.524 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000257640716 135137853 /nfs/dbraw/zinc/13/78/53/135137853.db2.gz AXJAQRDYOCLOSM-LBPRGKRZSA-N 2 2 220.320 0.606 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000257640716 135137854 /nfs/dbraw/zinc/13/78/54/135137854.db2.gz AXJAQRDYOCLOSM-LBPRGKRZSA-N 2 2 220.320 0.606 20 0 BCADLP Cc1n[nH]cc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000257757875 135141508 /nfs/dbraw/zinc/14/15/08/135141508.db2.gz WZFMSIFMWVXLOB-CYBMUJFWSA-N 2 2 249.362 0.198 20 0 BCADLP c1cncc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000257757893 135142025 /nfs/dbraw/zinc/14/20/25/135142025.db2.gz WZUCYMGKFNIIIJ-CQSZACIVSA-N 2 2 246.358 0.561 20 0 BCADLP C[N@@H+](Cc1nnc[nH]1)CC1CC[NH2+]CC1 ZINC000261529675 135156738 /nfs/dbraw/zinc/15/67/38/135156738.db2.gz BIHWLHBTDNVSNR-UHFFFAOYSA-N 2 2 209.297 0.236 20 0 BCADLP C[N@H+](Cc1nnc[nH]1)CC1CC[NH2+]CC1 ZINC000261529675 135156740 /nfs/dbraw/zinc/15/67/40/135156740.db2.gz BIHWLHBTDNVSNR-UHFFFAOYSA-N 2 2 209.297 0.236 20 0 BCADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cnn(C)c1 ZINC000261537463 135173953 /nfs/dbraw/zinc/17/39/53/135173953.db2.gz VQYYIHZYJDXTIK-NSHDSACASA-N 2 2 210.325 0.883 20 0 BCADLP CC1(C)CCC[N@@H+]1Cc1noc(C[NH3+])n1 ZINC000261538320 135175288 /nfs/dbraw/zinc/17/52/88/135175288.db2.gz XSASQXPUAPVNCL-UHFFFAOYSA-N 2 2 210.281 0.903 20 0 BCADLP CC1(C)CCC[N@H+]1Cc1noc(C[NH3+])n1 ZINC000261538320 135175289 /nfs/dbraw/zinc/17/52/89/135175289.db2.gz XSASQXPUAPVNCL-UHFFFAOYSA-N 2 2 210.281 0.903 20 0 BCADLP C[C@H]1[NH2+]CCN(Cc2c[nH+]cn2C)[C@H]1C ZINC000261540846 135180139 /nfs/dbraw/zinc/18/01/39/135180139.db2.gz FIWQAESMWARWTI-ZJUUUORDSA-N 2 2 208.309 0.602 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261541864 135181992 /nfs/dbraw/zinc/18/19/92/135181992.db2.gz BRDFVLPIXLGXEM-YPMHNXCESA-N 2 2 239.363 0.587 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261541864 135181994 /nfs/dbraw/zinc/18/19/94/135181994.db2.gz BRDFVLPIXLGXEM-YPMHNXCESA-N 2 2 239.363 0.587 20 0 BCADLP CCC[C@](C)(O)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000261544947 135186006 /nfs/dbraw/zinc/18/60/06/135186006.db2.gz FILIUAKCTOCYMR-AGIUHOORSA-N 2 2 244.379 0.894 20 0 BCADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000261548583 135187420 /nfs/dbraw/zinc/18/74/20/135187420.db2.gz JRRJOBVNNUKECI-QWRGUYRKSA-N 2 2 236.319 0.387 20 0 BCADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000261548584 135187582 /nfs/dbraw/zinc/18/75/82/135187582.db2.gz JRRJOBVNNUKECI-WDEREUQCSA-N 2 2 236.319 0.387 20 0 BCADLP CN(C(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1CC1 ZINC000261548891 135187664 /nfs/dbraw/zinc/18/76/64/135187664.db2.gz JYAKGNFFLIHRLE-PWSUYJOCSA-N 2 2 237.347 0.291 20 0 BCADLP CN(C(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1CC1 ZINC000261548891 135187666 /nfs/dbraw/zinc/18/76/66/135187666.db2.gz JYAKGNFFLIHRLE-PWSUYJOCSA-N 2 2 237.347 0.291 20 0 BCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261550275 135188996 /nfs/dbraw/zinc/18/89/96/135188996.db2.gz LDXMISJXRHAEKH-GWCFXTLKSA-N 2 2 237.347 0.339 20 0 BCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261550275 135188997 /nfs/dbraw/zinc/18/89/97/135188997.db2.gz LDXMISJXRHAEKH-GWCFXTLKSA-N 2 2 237.347 0.339 20 0 BCADLP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000084227066 135193565 /nfs/dbraw/zinc/19/35/65/135193565.db2.gz OEHHPOYFDCDVMZ-DMDPSCGWSA-N 2 2 224.348 0.974 20 0 BCADLP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000084227066 135193567 /nfs/dbraw/zinc/19/35/67/135193567.db2.gz OEHHPOYFDCDVMZ-DMDPSCGWSA-N 2 2 224.348 0.974 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261556105 135196452 /nfs/dbraw/zinc/19/64/52/135196452.db2.gz QHKZXNWQEFVHSH-SDDRHHMPSA-N 2 2 239.363 0.442 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261556105 135196454 /nfs/dbraw/zinc/19/64/54/135196454.db2.gz QHKZXNWQEFVHSH-SDDRHHMPSA-N 2 2 239.363 0.442 20 0 BCADLP Cc1c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cnn1C ZINC000261556431 135196835 /nfs/dbraw/zinc/19/68/35/135196835.db2.gz QRBBGUSUEBNWPI-WCQYABFASA-N 2 2 234.347 0.770 20 0 BCADLP Cc1c(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cnn1C ZINC000261556431 135196836 /nfs/dbraw/zinc/19/68/36/135196836.db2.gz QRBBGUSUEBNWPI-WCQYABFASA-N 2 2 234.347 0.770 20 0 BCADLP Cn1nccc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261561787 135202915 /nfs/dbraw/zinc/20/29/15/135202915.db2.gz AVAMPRZWZJPLLB-LBPRGKRZSA-N 2 2 220.320 0.606 20 0 BCADLP Cn1nccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261561787 135202916 /nfs/dbraw/zinc/20/29/16/135202916.db2.gz AVAMPRZWZJPLLB-LBPRGKRZSA-N 2 2 220.320 0.606 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261561366 135202940 /nfs/dbraw/zinc/20/29/40/135202940.db2.gz VGGNFSGARWBQKC-SRVKXCTJSA-N 2 2 239.363 0.585 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261561366 135202941 /nfs/dbraw/zinc/20/29/41/135202941.db2.gz VGGNFSGARWBQKC-SRVKXCTJSA-N 2 2 239.363 0.585 20 0 BCADLP Cc1cccc(C[N@H+](CC[NH3+])CCO)c1 ZINC000261561799 135202983 /nfs/dbraw/zinc/20/29/83/135202983.db2.gz AVSODFZVNNOTTC-UHFFFAOYSA-N 2 2 208.305 0.748 20 0 BCADLP Cc1cccc(C[N@@H+](CC[NH3+])CCO)c1 ZINC000261561799 135202984 /nfs/dbraw/zinc/20/29/84/135202984.db2.gz AVSODFZVNNOTTC-UHFFFAOYSA-N 2 2 208.305 0.748 20 0 BCADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000261562873 135204785 /nfs/dbraw/zinc/20/47/85/135204785.db2.gz WQGFWQRCTGDJPG-CYBMUJFWSA-N 2 2 239.363 0.716 20 0 BCADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000261562873 135204786 /nfs/dbraw/zinc/20/47/86/135204786.db2.gz WQGFWQRCTGDJPG-CYBMUJFWSA-N 2 2 239.363 0.716 20 0 BCADLP Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc[nH+]1 ZINC000261564786 135206801 /nfs/dbraw/zinc/20/68/01/135206801.db2.gz CRGRRCAAMGRUQD-GHMZBOCLSA-N 2 2 218.304 0.831 20 0 BCADLP Cc1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)nc[nH+]1 ZINC000261564787 135206842 /nfs/dbraw/zinc/20/68/42/135206842.db2.gz CRGRRCAAMGRUQD-MNOVXSKESA-N 2 2 218.304 0.831 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000261565223 135207051 /nfs/dbraw/zinc/20/70/51/135207051.db2.gz CYNDAOQULWSVQY-ZJUUUORDSA-N 2 2 213.325 0.311 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000261565223 135207052 /nfs/dbraw/zinc/20/70/52/135207052.db2.gz CYNDAOQULWSVQY-ZJUUUORDSA-N 2 2 213.325 0.311 20 0 BCADLP [NH3+][C@@H]1CCC[N@H+](CCN2CCCC2=O)C1 ZINC000261569520 135211399 /nfs/dbraw/zinc/21/13/99/135211399.db2.gz GIQTXWITJAQKDE-SNVBAGLBSA-N 2 2 211.309 0.032 20 0 BCADLP [NH3+][C@@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC000261569520 135211400 /nfs/dbraw/zinc/21/14/00/135211400.db2.gz GIQTXWITJAQKDE-SNVBAGLBSA-N 2 2 211.309 0.032 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261569723 135212538 /nfs/dbraw/zinc/21/25/38/135212538.db2.gz GMRSYLSTDISALX-GHMZBOCLSA-N 2 2 225.336 0.052 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261569723 135212540 /nfs/dbraw/zinc/21/25/40/135212540.db2.gz GMRSYLSTDISALX-GHMZBOCLSA-N 2 2 225.336 0.052 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261571239 135212948 /nfs/dbraw/zinc/21/29/48/135212948.db2.gz KYSPRCASQDFRDP-RYUDHWBXSA-N 2 2 248.330 0.341 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000261572015 135213973 /nfs/dbraw/zinc/21/39/73/135213973.db2.gz HZAVZJQRIRODCM-NEPJUHHUSA-N 2 2 220.320 0.604 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000261572015 135213974 /nfs/dbraw/zinc/21/39/74/135213974.db2.gz HZAVZJQRIRODCM-NEPJUHHUSA-N 2 2 220.320 0.604 20 0 BCADLP Cc1cnn(CC[N@@H+](C)[C@H](C[NH3+])C2CC2)c1 ZINC000261578584 135219947 /nfs/dbraw/zinc/21/99/47/135219947.db2.gz LSYSVHHKAHIFLE-GFCCVEGCSA-N 2 2 222.336 0.861 20 0 BCADLP Cc1cnn(CC[N@H+](C)[C@H](C[NH3+])C2CC2)c1 ZINC000261578584 135219948 /nfs/dbraw/zinc/21/99/48/135219948.db2.gz LSYSVHHKAHIFLE-GFCCVEGCSA-N 2 2 222.336 0.861 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261579613 135220931 /nfs/dbraw/zinc/22/09/31/135220931.db2.gz MKEGZLAMQHZGTQ-GFCCVEGCSA-N 2 2 225.336 0.196 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261579613 135220932 /nfs/dbraw/zinc/22/09/32/135220932.db2.gz MKEGZLAMQHZGTQ-GFCCVEGCSA-N 2 2 225.336 0.196 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261581259 135222789 /nfs/dbraw/zinc/22/27/89/135222789.db2.gz QMHOXXKNCFICOT-NWDGAFQWSA-N 2 2 248.330 0.484 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261589987 135230718 /nfs/dbraw/zinc/23/07/18/135230718.db2.gz UGYOBFXBCPOQBK-WDEREUQCSA-N 2 2 225.336 0.196 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261589987 135230720 /nfs/dbraw/zinc/23/07/20/135230720.db2.gz UGYOBFXBCPOQBK-WDEREUQCSA-N 2 2 225.336 0.196 20 0 BCADLP C[C@@H]1CC[N@H+](Cc2cnn(C)n2)C[C@H]1C[NH3+] ZINC000261592262 135233001 /nfs/dbraw/zinc/23/30/01/135233001.db2.gz VTGJJLVGQIWJNQ-NXEZZACHSA-N 2 2 223.324 0.232 20 0 BCADLP C[C@@H]1CC[N@@H+](Cc2cnn(C)n2)C[C@H]1C[NH3+] ZINC000261592262 135233003 /nfs/dbraw/zinc/23/30/03/135233003.db2.gz VTGJJLVGQIWJNQ-NXEZZACHSA-N 2 2 223.324 0.232 20 0 BCADLP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000261719758 135247486 /nfs/dbraw/zinc/24/74/86/135247486.db2.gz GUSAJNBJCUSHNI-NXEZZACHSA-N 2 2 236.319 0.853 20 0 BCADLP Cc1ccn2cc(CNC(=O)C[C@H](C)[NH3+])[nH+]c2c1 ZINC000261736121 135248893 /nfs/dbraw/zinc/24/88/93/135248893.db2.gz GFICHDVMXKJAHF-JTQLQIEISA-N 2 2 246.314 0.996 20 0 BCADLP C[C@@H]([NH3+])CC(=O)NCc1ccc[nH+]c1N(C)C ZINC000261740039 135248972 /nfs/dbraw/zinc/24/89/72/135248972.db2.gz GNMPBFBDKPRVAE-SECBINFHSA-N 2 2 236.319 0.501 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000261749276 135249933 /nfs/dbraw/zinc/24/99/33/135249933.db2.gz CCIQLSAJBIRZPE-JTQLQIEISA-N 2 2 225.336 0.420 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000261749276 135249934 /nfs/dbraw/zinc/24/99/34/135249934.db2.gz CCIQLSAJBIRZPE-JTQLQIEISA-N 2 2 225.336 0.420 20 0 BCADLP C[C@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CC(=O)N1C ZINC000261765550 135251125 /nfs/dbraw/zinc/25/11/25/135251125.db2.gz LUVVACOSHFLIDX-CMPLNLGQSA-N 2 2 225.336 0.149 20 0 BCADLP C[C@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CC(=O)N1C ZINC000261765550 135251127 /nfs/dbraw/zinc/25/11/27/135251127.db2.gz LUVVACOSHFLIDX-CMPLNLGQSA-N 2 2 225.336 0.149 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000261825832 135255950 /nfs/dbraw/zinc/25/59/50/135255950.db2.gz VANXJZRSOCHZDR-GFCCVEGCSA-N 2 2 227.352 0.572 20 0 BCADLP CCN(CC)C(=O)C[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261866343 135257971 /nfs/dbraw/zinc/25/79/71/135257971.db2.gz NZRXAOCADUOKHI-CYBMUJFWSA-N 2 2 241.379 0.786 20 0 BCADLP CCN(CC)C(=O)C[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261866343 135257973 /nfs/dbraw/zinc/25/79/73/135257973.db2.gz NZRXAOCADUOKHI-CYBMUJFWSA-N 2 2 241.379 0.786 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000261890687 135260795 /nfs/dbraw/zinc/26/07/95/135260795.db2.gz XKLMIUQHWSNJDQ-GUBZILKMSA-N 2 2 225.336 0.310 20 0 BCADLP CC(C)([NH3+])C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000261890687 135260796 /nfs/dbraw/zinc/26/07/96/135260796.db2.gz XKLMIUQHWSNJDQ-GUBZILKMSA-N 2 2 225.336 0.310 20 0 BCADLP C[C@@H]([NH3+])C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000261922682 135263418 /nfs/dbraw/zinc/26/34/18/135263418.db2.gz XTQWDWAAMXIFED-MRVPVSSYSA-N 2 2 222.292 0.463 20 0 BCADLP C[C@@H]([NH3+])C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000261922682 135263419 /nfs/dbraw/zinc/26/34/19/135263419.db2.gz XTQWDWAAMXIFED-MRVPVSSYSA-N 2 2 222.292 0.463 20 0 BCADLP CC(C)n1cc[nH+]c1CN(CC[NH3+])CCO ZINC000342424514 135270572 /nfs/dbraw/zinc/27/05/72/135270572.db2.gz RIGZTVDSYNFPCZ-UHFFFAOYSA-N 2 2 226.324 0.217 20 0 BCADLP C[C@@]1(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)CC[NH2+]C1 ZINC000261998236 135271741 /nfs/dbraw/zinc/27/17/41/135271741.db2.gz LBLMULPGAUBNST-GRYCIOLGSA-N 2 2 226.320 0.086 20 0 BCADLP C[C@@]1(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)CC[NH2+]C1 ZINC000261998236 135271743 /nfs/dbraw/zinc/27/17/43/135271743.db2.gz LBLMULPGAUBNST-GRYCIOLGSA-N 2 2 226.320 0.086 20 0 BCADLP C[C@]1(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)CC[NH2+]C1 ZINC000262009231 135272025 /nfs/dbraw/zinc/27/20/25/135272025.db2.gz MDGMWHLLOOBZRD-AAEUAGOBSA-N 2 2 237.347 0.293 20 0 BCADLP C[C@]1(C[N@H+]2CCN3C(=O)CC[C@H]3C2)CC[NH2+]C1 ZINC000262009231 135272026 /nfs/dbraw/zinc/27/20/26/135272026.db2.gz MDGMWHLLOOBZRD-AAEUAGOBSA-N 2 2 237.347 0.293 20 0 BCADLP CC[C@@H]1C(=O)NCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262084074 135277515 /nfs/dbraw/zinc/27/75/15/135277515.db2.gz UCRZCKZBLDQEDZ-ZYHUDNBSSA-N 2 2 225.336 0.196 20 0 BCADLP CC[C@@H]1C(=O)NCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262084074 135277516 /nfs/dbraw/zinc/27/75/16/135277516.db2.gz UCRZCKZBLDQEDZ-ZYHUDNBSSA-N 2 2 225.336 0.196 20 0 BCADLP CC1(C)COCC[N@@H+]1CCNC1=[NH+]CCCN1 ZINC000262185664 135284416 /nfs/dbraw/zinc/28/44/16/135284416.db2.gz XMVYKLAHUZQIRG-UHFFFAOYSA-N 2 2 240.351 0.036 20 0 BCADLP CC1(C)COCC[N@H+]1CCNC1=[NH+]CCCN1 ZINC000262185664 135284418 /nfs/dbraw/zinc/28/44/18/135284418.db2.gz XMVYKLAHUZQIRG-UHFFFAOYSA-N 2 2 240.351 0.036 20 0 BCADLP CN(C)c1[nH+]cccc1CNC(=O)C1([NH3+])CC1 ZINC000262703696 135315094 /nfs/dbraw/zinc/31/50/94/135315094.db2.gz KRNZKBUWHAJQRU-UHFFFAOYSA-N 2 2 234.303 0.255 20 0 BCADLP COc1cc[nH+]cc1NC(=O)C[C@H](C[NH3+])OC ZINC000262764213 135317192 /nfs/dbraw/zinc/31/71/92/135317192.db2.gz GSXUPYHXMGPNMH-MRVPVSSYSA-N 2 2 239.275 0.393 20 0 BCADLP Cc1c[nH+]c(CN2CC[N@@H+](C)C[C@@H]2C)n1C ZINC000342798507 135321464 /nfs/dbraw/zinc/32/14/64/135321464.db2.gz UUBZUWAGWNZZAD-NSHDSACASA-N 2 2 222.336 0.864 20 0 BCADLP Cc1c[nH+]c(CN2CC[N@H+](C)C[C@@H]2C)n1C ZINC000342798507 135321465 /nfs/dbraw/zinc/32/14/65/135321465.db2.gz UUBZUWAGWNZZAD-NSHDSACASA-N 2 2 222.336 0.864 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH+]2CCC1CC2 ZINC000334166105 135323751 /nfs/dbraw/zinc/32/37/51/135323751.db2.gz ANMHFOMOUAMMOS-UHFFFAOYSA-N 2 2 248.330 0.567 20 0 BCADLP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000262933075 135324129 /nfs/dbraw/zinc/32/41/29/135324129.db2.gz HZDKAHJXWAWYJX-CABZTGNLSA-N 2 2 236.319 0.934 20 0 BCADLP CC[NH+](CC)CCOC1CC[NH+](CC[NH3+])CC1 ZINC000262987417 135325953 /nfs/dbraw/zinc/32/59/53/135325953.db2.gz NGULZEFDUQOXIS-UHFFFAOYSA-N 3 2 243.395 0.768 20 0 BCADLP [NH3+]CC[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000263039848 135328998 /nfs/dbraw/zinc/32/89/98/135328998.db2.gz SQXDQJMDTGNYEM-UHFFFAOYSA-N 2 2 245.330 0.867 20 0 BCADLP Cc1cc(NC(=O)N2CCC[C@@H]2C[NH3+])cc[nH+]1 ZINC000334823662 135833445 /nfs/dbraw/zinc/83/34/45/135833445.db2.gz KNVFYZAAXORSSW-LLVKDONJSA-N 2 2 234.303 0.767 20 0 BCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC000335282941 136000491 /nfs/dbraw/zinc/00/04/91/136000491.db2.gz ZPXWIZSPOKREJL-VXGBXAGGSA-N 2 2 239.363 0.858 20 0 BCADLP CC(=O)[C@](C)(O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000347781822 136009080 /nfs/dbraw/zinc/00/90/80/136009080.db2.gz KSGGBZSZGCUTPB-GFCCVEGCSA-N 2 2 239.319 0.545 20 0 BCADLP CC(=O)[C@](C)(O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000347781822 136009081 /nfs/dbraw/zinc/00/90/81/136009081.db2.gz KSGGBZSZGCUTPB-GFCCVEGCSA-N 2 2 239.319 0.545 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1CCOC[C@H]1C ZINC000347775881 136009133 /nfs/dbraw/zinc/00/91/33/136009133.db2.gz LDFGMVMPKHKWNP-UPJWGTAASA-N 2 2 241.379 0.247 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1CCOC[C@H]1C ZINC000347775881 136009134 /nfs/dbraw/zinc/00/91/34/136009134.db2.gz LDFGMVMPKHKWNP-UPJWGTAASA-N 2 2 241.379 0.247 20 0 BCADLP C[C@H](C[S@](C)=O)[N@H+](C)CCc1c[nH+]cn1C ZINC000347797327 136010131 /nfs/dbraw/zinc/01/01/31/136010131.db2.gz YJCJCTQDYALESF-HWPZZCPQSA-N 2 2 243.376 0.661 20 0 BCADLP C[C@H](C[S@](C)=O)[N@@H+](C)CCc1c[nH+]cn1C ZINC000347797327 136010132 /nfs/dbraw/zinc/01/01/32/136010132.db2.gz YJCJCTQDYALESF-HWPZZCPQSA-N 2 2 243.376 0.661 20 0 BCADLP Cc1cc[nH+]c(N2CC[N@@H+]3CCOC[C@@H]3C2)c1 ZINC000347889776 136015317 /nfs/dbraw/zinc/01/53/17/136015317.db2.gz XKSLTRINILDALO-LBPRGKRZSA-N 2 2 233.315 0.911 20 0 BCADLP Cc1cc[nH+]c(N2CC[N@H+]3CCOC[C@@H]3C2)c1 ZINC000347889776 136015318 /nfs/dbraw/zinc/01/53/18/136015318.db2.gz XKSLTRINILDALO-LBPRGKRZSA-N 2 2 233.315 0.911 20 0 BCADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NC3CC3)C2)C1 ZINC000335306120 136020980 /nfs/dbraw/zinc/02/09/80/136020980.db2.gz IGLSFKFJWDOJKM-ZDUSSCGKSA-N 2 2 237.347 0.293 20 0 BCADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NC3CC3)C2)C1 ZINC000335306120 136020981 /nfs/dbraw/zinc/02/09/81/136020981.db2.gz IGLSFKFJWDOJKM-ZDUSSCGKSA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NC3CC3)C2)C1 ZINC000335306120 136020982 /nfs/dbraw/zinc/02/09/82/136020982.db2.gz IGLSFKFJWDOJKM-ZDUSSCGKSA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NC3CC3)C2)C1 ZINC000335306120 136020983 /nfs/dbraw/zinc/02/09/83/136020983.db2.gz IGLSFKFJWDOJKM-ZDUSSCGKSA-N 2 2 237.347 0.293 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000335343942 136065331 /nfs/dbraw/zinc/06/53/31/136065331.db2.gz DHYIFEIDNKMOEU-DTORHVGOSA-N 2 2 222.292 0.116 20 0 BCADLP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCNC1=O ZINC000348311825 136067612 /nfs/dbraw/zinc/06/76/12/136067612.db2.gz JPCYIFXIFSVFLU-MNOVXSKESA-N 2 2 225.336 0.291 20 0 BCADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCNC1=O ZINC000348311825 136067613 /nfs/dbraw/zinc/06/76/13/136067613.db2.gz JPCYIFXIFSVFLU-MNOVXSKESA-N 2 2 225.336 0.291 20 0 BCADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]1CCNC1=O ZINC000348311825 136067614 /nfs/dbraw/zinc/06/76/14/136067614.db2.gz JPCYIFXIFSVFLU-MNOVXSKESA-N 2 2 225.336 0.291 20 0 BCADLP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]1CCNC1=O ZINC000348311825 136067615 /nfs/dbraw/zinc/06/76/15/136067615.db2.gz JPCYIFXIFSVFLU-MNOVXSKESA-N 2 2 225.336 0.291 20 0 BCADLP CC(C)[C@@H]1C[NH2+]CCN1CC[NH+]1CCOCC1 ZINC000062620443 322859764 /nfs/dbraw/zinc/85/97/64/322859764.db2.gz FVLJVYWZTAVVRV-ZDUSSCGKSA-N 2 2 241.379 0.248 20 0 BCADLP CC[C@H](CO)[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000336653032 397832357 /nfs/dbraw/zinc/83/23/57/397832357.db2.gz LBFFIVSYKJVSBC-GMTAPVOTSA-N 2 2 200.326 0.687 20 0 BCADLP CC[C@H](CO)[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000336653032 397832360 /nfs/dbraw/zinc/83/23/60/397832360.db2.gz LBFFIVSYKJVSBC-GMTAPVOTSA-N 2 2 200.326 0.687 20 0 BCADLP Cc1nc(NC[C@H]2CCC[N@@H+](C)C2)nc(N)[nH+]1 ZINC000302637282 397957521 /nfs/dbraw/zinc/95/75/21/397957521.db2.gz RZENCPAGIVGUTP-SECBINFHSA-N 2 2 236.323 0.516 20 0 BCADLP Cc1nc(NC[C@H]2CCC[N@H+](C)C2)nc(N)[nH+]1 ZINC000302637282 397957524 /nfs/dbraw/zinc/95/75/24/397957524.db2.gz RZENCPAGIVGUTP-SECBINFHSA-N 2 2 236.323 0.516 20 0 BCADLP Cc1nc(N)nc(NC[C@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000302637282 397957526 /nfs/dbraw/zinc/95/75/26/397957526.db2.gz RZENCPAGIVGUTP-SECBINFHSA-N 2 2 236.323 0.516 20 0 BCADLP Cc1nc(N)nc(NC[C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000302637282 397957530 /nfs/dbraw/zinc/95/75/30/397957530.db2.gz RZENCPAGIVGUTP-SECBINFHSA-N 2 2 236.323 0.516 20 0 BCADLP O=C1OCC[C@@H]2CC[N@H+](CCCn3cc[nH+]c3)[C@@H]12 ZINC000364338977 397895361 /nfs/dbraw/zinc/89/53/61/397895361.db2.gz BZDPDYAHAJOMBH-NWDGAFQWSA-N 2 2 249.314 0.911 20 0 BCADLP O=C1OCC[C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)[C@@H]12 ZINC000364338977 397895363 /nfs/dbraw/zinc/89/53/63/397895363.db2.gz BZDPDYAHAJOMBH-NWDGAFQWSA-N 2 2 249.314 0.911 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537788 397918642 /nfs/dbraw/zinc/91/86/42/397918642.db2.gz QVBJRIALPKFUFU-JXUBOQSCSA-N 2 2 204.289 0.699 20 0 BCADLP CC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000197745197 398015268 /nfs/dbraw/zinc/01/52/68/398015268.db2.gz GAJKXINJCFVPGD-UHFFFAOYSA-N 2 2 219.288 0.793 20 0 BCADLP CCn1ncnc1C[NH2+]CCn1cc[nH+]c1C ZINC000383836563 398042292 /nfs/dbraw/zinc/04/22/92/398042292.db2.gz JUMQZTLJAKGOSZ-UHFFFAOYSA-N 2 2 234.307 0.593 20 0 BCADLP CCO[C@H]1COCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000362018497 397978090 /nfs/dbraw/zinc/97/80/90/397978090.db2.gz DVTVQTLEWZRPHR-RYUDHWBXSA-N 2 2 239.319 0.667 20 0 BCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000389766135 397988113 /nfs/dbraw/zinc/98/81/13/397988113.db2.gz AHAIMPUEJWGGTN-LLVKDONJSA-N 2 2 248.330 0.532 20 0 BCADLP COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1c[nH+]cn1C ZINC000649762691 398091769 /nfs/dbraw/zinc/09/17/69/398091769.db2.gz UMUXKZVJGSMCSO-MWLCHTKSSA-N 2 2 225.292 0.002 20 0 BCADLP COC[C@H]1C[C@@H](O)C[N@H+]1Cc1c[nH+]cn1C ZINC000649762691 398091771 /nfs/dbraw/zinc/09/17/71/398091771.db2.gz UMUXKZVJGSMCSO-MWLCHTKSSA-N 2 2 225.292 0.002 20 0 BCADLP CC(C)[C@@H]([NH3+])C(=O)NCCNc1cccc[nH+]1 ZINC000292646293 398107751 /nfs/dbraw/zinc/10/77/51/398107751.db2.gz ZWTHUOKWVIXULJ-LLVKDONJSA-N 2 2 236.319 0.593 20 0 BCADLP C[C@H]1C[C@H]([NH2+]Cc2ncc[nH]2)CC[N@@H+]1C ZINC000090720679 398111523 /nfs/dbraw/zinc/11/15/23/398111523.db2.gz VDZZCQGVVPKLSI-VHSXEESVSA-N 2 2 208.309 0.982 20 0 BCADLP C[C@H]1C[C@H]([NH2+]Cc2ncc[nH]2)CC[N@H+]1C ZINC000090720679 398111525 /nfs/dbraw/zinc/11/15/25/398111525.db2.gz VDZZCQGVVPKLSI-VHSXEESVSA-N 2 2 208.309 0.982 20 0 BCADLP C[C@H]1C[C@H](NCc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000090720679 398111527 /nfs/dbraw/zinc/11/15/27/398111527.db2.gz VDZZCQGVVPKLSI-VHSXEESVSA-N 2 2 208.309 0.982 20 0 BCADLP C[C@H]1C[C@H](NCc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000090720679 398111528 /nfs/dbraw/zinc/11/15/28/398111528.db2.gz VDZZCQGVVPKLSI-VHSXEESVSA-N 2 2 208.309 0.982 20 0 BCADLP COCC(COC)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000385027353 398127857 /nfs/dbraw/zinc/12/78/57/398127857.db2.gz JRDOLXHZKPUDFI-QWRGUYRKSA-N 2 2 230.352 0.720 20 0 BCADLP COCC(COC)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000385027353 398127859 /nfs/dbraw/zinc/12/78/59/398127859.db2.gz JRDOLXHZKPUDFI-QWRGUYRKSA-N 2 2 230.352 0.720 20 0 BCADLP CC(C)NC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118843188 167049663 /nfs/dbraw/zinc/04/96/63/167049663.db2.gz FYQHMIJXTUMPNC-LBPRGKRZSA-N 2 2 241.379 0.785 20 0 BCADLP CC(C)NC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118843188 167049667 /nfs/dbraw/zinc/04/96/67/167049667.db2.gz FYQHMIJXTUMPNC-LBPRGKRZSA-N 2 2 241.379 0.785 20 0 BCADLP CC(C)NC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000118843188 167049671 /nfs/dbraw/zinc/04/96/71/167049671.db2.gz FYQHMIJXTUMPNC-LBPRGKRZSA-N 2 2 241.379 0.785 20 0 BCADLP CC(C)NC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118843188 167049672 /nfs/dbraw/zinc/04/96/72/167049672.db2.gz FYQHMIJXTUMPNC-LBPRGKRZSA-N 2 2 241.379 0.785 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250347640 487529132 /nfs/dbraw/zinc/52/91/32/487529132.db2.gz RIQMOKVIUUYOGK-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP CN(C)C(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250347640 487529139 /nfs/dbraw/zinc/52/91/39/487529139.db2.gz RIQMOKVIUUYOGK-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP CC(C)[NH2+]CC[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000367462095 167107253 /nfs/dbraw/zinc/10/72/53/167107253.db2.gz CUDOTFZGOCTKHS-AAEUAGOBSA-N 2 2 239.363 0.631 20 0 BCADLP C[C@H]([NH3+])[C@H](C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000565479332 322905139 /nfs/dbraw/zinc/90/51/39/322905139.db2.gz VPSLXOZDLRUURY-QWRGUYRKSA-N 2 2 238.335 0.715 20 0 BCADLP CC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152916612 487585988 /nfs/dbraw/zinc/58/59/88/487585988.db2.gz LGVKHOAPUORENA-GHMZBOCLSA-N 2 2 248.330 0.514 20 0 BCADLP COC[C@H](C)[NH2+]CC[NH+]1CCC(OC)CC1 ZINC000053380288 487590217 /nfs/dbraw/zinc/59/02/17/487590217.db2.gz RRRIPKFJHAJXJI-NSHDSACASA-N 2 2 230.352 0.722 20 0 BCADLP C[C@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@H]1C ZINC000653092775 487593163 /nfs/dbraw/zinc/59/31/63/487593163.db2.gz KZRXPHQWBOOWTR-AXFHLTTASA-N 2 2 227.352 0.380 20 0 BCADLP Cc1c[nH+]ccc1CC[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000568170814 322919255 /nfs/dbraw/zinc/91/92/55/322919255.db2.gz UYPLXJRWSZUKJJ-ZDUSSCGKSA-N 2 2 249.314 0.167 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](Cc2snnc2C)C1 ZINC000308972913 487603182 /nfs/dbraw/zinc/60/31/82/487603182.db2.gz HHZRLUSGIVXWPC-SECBINFHSA-N 2 2 226.349 0.888 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2snnc2C)C1 ZINC000308972913 487603189 /nfs/dbraw/zinc/60/31/89/487603189.db2.gz HHZRLUSGIVXWPC-SECBINFHSA-N 2 2 226.349 0.888 20 0 BCADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nc(N(C)C)no1 ZINC000662263407 409555557 /nfs/dbraw/zinc/55/55/57/409555557.db2.gz ARNOGLRAMYKGOY-DTWKUNHWSA-N 2 2 239.323 0.305 20 0 BCADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nc(N(C)C)no1 ZINC000662263407 409555562 /nfs/dbraw/zinc/55/55/62/409555562.db2.gz ARNOGLRAMYKGOY-DTWKUNHWSA-N 2 2 239.323 0.305 20 0 BCADLP C[NH2+]CCC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662264792 409560204 /nfs/dbraw/zinc/56/02/04/409560204.db2.gz LZDDVIZSLFKZHP-ZDUSSCGKSA-N 3 2 241.379 0.296 20 0 BCADLP CCCCC[N@H+](CCO)C[C@@H]1C[NH2+]CCO1 ZINC000662249538 409547897 /nfs/dbraw/zinc/54/78/97/409547897.db2.gz WNOHFGQPUKFDHH-LBPRGKRZSA-N 2 2 230.352 0.459 20 0 BCADLP CCCCC[N@@H+](CCO)C[C@@H]1C[NH2+]CCO1 ZINC000662249538 409547905 /nfs/dbraw/zinc/54/79/05/409547905.db2.gz WNOHFGQPUKFDHH-LBPRGKRZSA-N 2 2 230.352 0.459 20 0 BCADLP CCOC[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662254441 409552211 /nfs/dbraw/zinc/55/22/11/409552211.db2.gz HZCPKOPNOBOMQN-STQMWFEESA-N 2 2 242.363 0.723 20 0 BCADLP CCOC[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662254441 409552223 /nfs/dbraw/zinc/55/22/23/409552223.db2.gz HZCPKOPNOBOMQN-STQMWFEESA-N 2 2 242.363 0.723 20 0 BCADLP C[C@H]1CCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653088865 409618535 /nfs/dbraw/zinc/61/85/35/409618535.db2.gz PNYPCLZWFFWNNL-UWVGGRQHSA-N 2 2 213.325 0.276 20 0 BCADLP CN(CC(C)(C)C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653075210 409585032 /nfs/dbraw/zinc/58/50/32/409585032.db2.gz JNNMNZGWHAGQBZ-SNVBAGLBSA-N 2 2 229.368 0.770 20 0 BCADLP CC[C@H](C)[C@@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653076832 409590419 /nfs/dbraw/zinc/59/04/19/409590419.db2.gz GMWGRGMPBRBISE-HBNTYKKESA-N 2 2 229.368 0.816 20 0 BCADLP C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H]1C ZINC000653083432 409606683 /nfs/dbraw/zinc/60/66/83/409606683.db2.gz YWIYJKZKIDVHEZ-UTUOFQBUSA-N 2 2 241.379 0.912 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCCC1(C)C ZINC000653091949 409677016 /nfs/dbraw/zinc/67/70/16/409677016.db2.gz NWOGHACFHARUFT-GHMZBOCLSA-N 2 2 241.379 0.960 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1(C)CC1 ZINC000653095829 409711792 /nfs/dbraw/zinc/71/17/92/409711792.db2.gz XNPMTJVZDNESDN-VIFPVBQESA-N 2 2 213.325 0.182 20 0 BCADLP CC[C@H]([NH2+]C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000662381843 409683925 /nfs/dbraw/zinc/68/39/25/409683925.db2.gz HJUXKSRCOBTHRB-UWVGGRQHSA-N 2 2 224.308 0.386 20 0 BCADLP CO[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000653099168 409738041 /nfs/dbraw/zinc/73/80/41/409738041.db2.gz HKKMRELQKFHBDP-QWRGUYRKSA-N 2 2 245.367 0.053 20 0 BCADLP CC[C@]1(C)CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653099559 409741724 /nfs/dbraw/zinc/74/17/24/409741724.db2.gz UHMWJMLCECJPCF-WCQYABFASA-N 2 2 241.379 0.914 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc[nH]c1=O ZINC000653114471 409829883 /nfs/dbraw/zinc/82/98/83/409829883.db2.gz JGRGZGHKAXSKDC-MRVPVSSYSA-N 2 2 238.291 0.005 20 0 BCADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H]1CCSC1 ZINC000653125669 409835153 /nfs/dbraw/zinc/83/51/53/409835153.db2.gz PXOPUVUTHKDJAE-VHSXEESVSA-N 2 2 245.392 0.229 20 0 BCADLP CC[C@@H]([NH2+]C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000662690272 409835616 /nfs/dbraw/zinc/83/56/16/409835616.db2.gz ZHOGBETYTCXQLO-GHMZBOCLSA-N 2 2 238.335 0.633 20 0 BCADLP C[C@@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)Cn1cc[nH+]c1 ZINC000662688531 409836057 /nfs/dbraw/zinc/83/60/57/409836057.db2.gz PQEDOAFDRBIYFP-DCAQKATOSA-N 2 2 236.319 0.373 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccco1 ZINC000653125711 409837402 /nfs/dbraw/zinc/83/74/02/409837402.db2.gz VTAZYRFJGFKNHS-SNVBAGLBSA-N 2 2 225.292 0.175 20 0 BCADLP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H]1C ZINC000653102523 409795730 /nfs/dbraw/zinc/79/57/30/409795730.db2.gz ZTYQQQKYSQVTJP-VWYCJHECSA-N 2 2 227.352 0.522 20 0 BCADLP Cc1ccnc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653104624 409798594 /nfs/dbraw/zinc/79/85/94/409798594.db2.gz NDCPMKSFUFSOGS-SNVBAGLBSA-N 2 2 236.319 0.608 20 0 BCADLP COC(C)(C)CN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653104229 409799092 /nfs/dbraw/zinc/79/90/92/409799092.db2.gz CNGKXXIVBBJEFC-SNVBAGLBSA-N 2 2 245.367 0.149 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H](C)C[NH2+]C ZINC000662899254 409971247 /nfs/dbraw/zinc/97/12/47/409971247.db2.gz FDNWYLFTCKYNNB-VHSXEESVSA-N 2 2 238.335 0.936 20 0 BCADLP C[C@H](C[NH3+])C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662933186 409979827 /nfs/dbraw/zinc/97/98/27/409979827.db2.gz IDWHJZPKRYNHAP-HTQZYQBOSA-N 2 2 210.281 0.192 20 0 BCADLP C[C@H](C[NH3+])C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662933188 409981559 /nfs/dbraw/zinc/98/15/59/409981559.db2.gz IDWHJZPKRYNHAP-SFYZADRCSA-N 2 2 210.281 0.192 20 0 BCADLP C[C@H](NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)c1[nH+]ccn1C ZINC000662934871 409982665 /nfs/dbraw/zinc/98/26/65/409982665.db2.gz RAAOJWGNIMZASX-OUJBWJOFSA-N 2 2 248.330 0.597 20 0 BCADLP C[NH+](C)[C@@H]1CCCN(Cc2c[nH+]c[nH]2)C1 ZINC000092938499 410102112 /nfs/dbraw/zinc/10/21/12/410102112.db2.gz LYROFTCIIQOHSA-LLVKDONJSA-N 2 2 208.309 0.936 20 0 BCADLP C[NH+](C)[C@@H]1CCCN(Cc2c[nH]c[nH+]2)C1 ZINC000092938499 410102120 /nfs/dbraw/zinc/10/21/20/410102120.db2.gz LYROFTCIIQOHSA-LLVKDONJSA-N 2 2 208.309 0.936 20 0 BCADLP C[C@@H]1SCC[C@@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653176257 410152006 /nfs/dbraw/zinc/15/20/06/410152006.db2.gz ODUSVDCMOYANFI-AEJSXWLSSA-N 2 2 245.392 0.276 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000653165991 410131559 /nfs/dbraw/zinc/13/15/59/410131559.db2.gz PRMMRXLFOKRIHY-LMLFDSFASA-N 2 2 225.336 0.180 20 0 BCADLP C[C@H](C[NH3+])N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655415461 410217999 /nfs/dbraw/zinc/21/79/99/410217999.db2.gz NVXFCAOGUZMALW-ZJUUUORDSA-N 2 2 236.319 0.251 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000661091159 410162817 /nfs/dbraw/zinc/16/28/17/410162817.db2.gz WBTOURSZBKULOT-GFCCVEGCSA-N 2 2 238.335 0.297 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000661091159 410162823 /nfs/dbraw/zinc/16/28/23/410162823.db2.gz WBTOURSZBKULOT-GFCCVEGCSA-N 2 2 238.335 0.297 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000661091159 410162828 /nfs/dbraw/zinc/16/28/28/410162828.db2.gz WBTOURSZBKULOT-GFCCVEGCSA-N 2 2 238.335 0.297 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000661091159 410162832 /nfs/dbraw/zinc/16/28/32/410162832.db2.gz WBTOURSZBKULOT-GFCCVEGCSA-N 2 2 238.335 0.297 20 0 BCADLP CNC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000158081879 410173984 /nfs/dbraw/zinc/17/39/84/410173984.db2.gz OHQLMLCYAZZZBI-JTQLQIEISA-N 2 2 213.325 0.006 20 0 BCADLP CNC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000158081879 410173992 /nfs/dbraw/zinc/17/39/92/410173992.db2.gz OHQLMLCYAZZZBI-JTQLQIEISA-N 2 2 213.325 0.006 20 0 BCADLP CNC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000158081879 410173997 /nfs/dbraw/zinc/17/39/97/410173997.db2.gz OHQLMLCYAZZZBI-JTQLQIEISA-N 2 2 213.325 0.006 20 0 BCADLP CNC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000158081879 410174002 /nfs/dbraw/zinc/17/40/02/410174002.db2.gz OHQLMLCYAZZZBI-JTQLQIEISA-N 2 2 213.325 0.006 20 0 BCADLP C[C@@H](C[NH3+])N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655415459 410219017 /nfs/dbraw/zinc/21/90/17/410219017.db2.gz NVXFCAOGUZMALW-UWVGGRQHSA-N 2 2 236.319 0.251 20 0 BCADLP C[NH2+][C@@H](C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000655445540 410268326 /nfs/dbraw/zinc/26/83/26/410268326.db2.gz ARKJKTWAGZFKNJ-NSHDSACASA-N 2 2 247.342 0.726 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655451517 410283431 /nfs/dbraw/zinc/28/34/31/410283431.db2.gz RWHWWYQDAYRIQI-GWCFXTLKSA-N 2 2 248.330 0.724 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CC(=O)N(C)C ZINC000663513170 410283890 /nfs/dbraw/zinc/28/38/90/410283890.db2.gz IYGHGNJYUAOSLT-DTWKUNHWSA-N 2 2 201.314 0.051 20 0 BCADLP C[C@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[NH2+]1 ZINC000655416238 410221863 /nfs/dbraw/zinc/22/18/63/410221863.db2.gz ZZUGUNCKXLGXOE-WDEREUQCSA-N 2 2 248.330 0.266 20 0 BCADLP Nc1ccc(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)c[nH+]1 ZINC000655416401 410223791 /nfs/dbraw/zinc/22/37/91/410223791.db2.gz SBAKSLDDUNMSQW-GWCFXTLKSA-N 2 2 246.314 0.992 20 0 BCADLP [NH3+]C[C@H]1CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655417243 410225077 /nfs/dbraw/zinc/22/50/77/410225077.db2.gz HJRJBNPSTOPIHZ-WDEREUQCSA-N 2 2 248.330 0.395 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCOC[C@@H]1C ZINC000309256629 410668171 /nfs/dbraw/zinc/66/81/71/410668171.db2.gz OKPYHNRTIUNCJB-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCOC[C@@H]1C ZINC000309256629 410668175 /nfs/dbraw/zinc/66/81/75/410668175.db2.gz OKPYHNRTIUNCJB-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCOC[C@@H]1C ZINC000309256629 410668178 /nfs/dbraw/zinc/66/81/78/410668178.db2.gz OKPYHNRTIUNCJB-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCOC[C@@H]1C ZINC000309256629 410668182 /nfs/dbraw/zinc/66/81/82/410668182.db2.gz OKPYHNRTIUNCJB-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP C[C@H]1CCCN(C(=O)C[N@H+](C)CCC[NH3+])C1 ZINC000134163548 410701337 /nfs/dbraw/zinc/70/13/37/410701337.db2.gz ILVYPGZGMQFRJC-NSHDSACASA-N 2 2 227.352 0.526 20 0 BCADLP C[C@H]1CCCN(C(=O)C[N@@H+](C)CCC[NH3+])C1 ZINC000134163548 410701344 /nfs/dbraw/zinc/70/13/44/410701344.db2.gz ILVYPGZGMQFRJC-NSHDSACASA-N 2 2 227.352 0.526 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655478368 410712138 /nfs/dbraw/zinc/71/21/38/410712138.db2.gz RZXSPRNORNFDMY-DCAQKATOSA-N 2 2 248.330 0.394 20 0 BCADLP C[NH2+][C@@H](C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000655470186 410687108 /nfs/dbraw/zinc/68/71/08/410687108.db2.gz ORTRGCPFVPRWNA-QWRGUYRKSA-N 2 2 248.330 0.384 20 0 BCADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccnn1C ZINC000665280155 410754403 /nfs/dbraw/zinc/75/44/03/410754403.db2.gz UQPUCOHVWYQAPO-GRZMOONWSA-N 2 2 220.320 0.823 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227068968 167054621 /nfs/dbraw/zinc/05/46/21/167054621.db2.gz RBTWPSQATNWGQD-VHSXEESVSA-N 2 2 213.325 0.180 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227068968 167054624 /nfs/dbraw/zinc/05/46/24/167054624.db2.gz RBTWPSQATNWGQD-VHSXEESVSA-N 2 2 213.325 0.180 20 0 BCADLP CC(C)[NH2+]C1CC[NH+](CCn2cncn2)CC1 ZINC000336718074 167095756 /nfs/dbraw/zinc/09/57/56/167095756.db2.gz WTFNZDRYMBXVMP-UHFFFAOYSA-N 2 2 237.351 0.741 20 0 BCADLP CC(C)OCC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000049259302 167235862 /nfs/dbraw/zinc/23/58/62/167235862.db2.gz ZABOJYWMRVAGFP-JTQLQIEISA-N 2 2 202.298 0.071 20 0 BCADLP CC(C)OCC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000049259302 167235863 /nfs/dbraw/zinc/23/58/63/167235863.db2.gz ZABOJYWMRVAGFP-JTQLQIEISA-N 2 2 202.298 0.071 20 0 BCADLP CC(C)OC[C@H](O)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000049235164 167270118 /nfs/dbraw/zinc/27/01/18/167270118.db2.gz SNFZXWRMZBMQRP-NWDGAFQWSA-N 2 2 241.335 0.647 20 0 BCADLP CC(C)[C@@H](C)NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342148635 167372090 /nfs/dbraw/zinc/37/20/90/167372090.db2.gz XISLRPHCKPEYCL-SNVBAGLBSA-N 2 2 227.352 0.618 20 0 BCADLP O=C1CC[C@H]2C[N@H+](CCn3cc[nH+]c3)CC[C@@H]2N1 ZINC000661596157 410984830 /nfs/dbraw/zinc/98/48/30/410984830.db2.gz ARJKBNSZAABOLM-RYUDHWBXSA-N 2 2 248.330 0.484 20 0 BCADLP O=C1CC[C@H]2C[N@@H+](CCn3cc[nH+]c3)CC[C@@H]2N1 ZINC000661596157 410984835 /nfs/dbraw/zinc/98/48/35/410984835.db2.gz ARJKBNSZAABOLM-RYUDHWBXSA-N 2 2 248.330 0.484 20 0 BCADLP Cc1cc(CO)cc(N2CC([NH+](C)C)C2)[nH+]1 ZINC000382628212 411066425 /nfs/dbraw/zinc/06/64/25/411066425.db2.gz JHTXNSIIVVTTJR-UHFFFAOYSA-N 2 2 221.304 0.633 20 0 BCADLP CCc1nn(C)cc1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000300046821 411078890 /nfs/dbraw/zinc/07/88/90/411078890.db2.gz AGHAYALISJTOIS-MWLCHTKSSA-N 2 2 222.336 0.762 20 0 BCADLP CCc1nn(C)cc1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000300046821 411078891 /nfs/dbraw/zinc/07/88/91/411078891.db2.gz AGHAYALISJTOIS-MWLCHTKSSA-N 2 2 222.336 0.762 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]C2COCCOC2)CC[N@@H+]1C ZINC000309327297 411029257 /nfs/dbraw/zinc/02/92/57/411029257.db2.gz RQOGEZNKODRGHT-QWRGUYRKSA-N 2 2 228.336 0.474 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]C2COCCOC2)CC[N@H+]1C ZINC000309327297 411029261 /nfs/dbraw/zinc/02/92/61/411029261.db2.gz RQOGEZNKODRGHT-QWRGUYRKSA-N 2 2 228.336 0.474 20 0 BCADLP CC(C)[C@@H](C(=O)NCCn1cc[nH+]c1)[C@@H](C)[NH3+] ZINC000399357356 411035170 /nfs/dbraw/zinc/03/51/70/411035170.db2.gz AEEHECLFZDJOOQ-GHMZBOCLSA-N 2 2 238.335 0.619 20 0 BCADLP Cc1cccc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)[nH+]1 ZINC000651451253 411036155 /nfs/dbraw/zinc/03/61/55/411036155.db2.gz LDXGDDLSUPITPG-GFCCVEGCSA-N 2 2 233.315 0.645 20 0 BCADLP Cc1cccc(N2CC([N@H+]3CC[C@@H](O)C3)C2)[nH+]1 ZINC000651451253 411036159 /nfs/dbraw/zinc/03/61/59/411036159.db2.gz LDXGDDLSUPITPG-GFCCVEGCSA-N 2 2 233.315 0.645 20 0 BCADLP CCn1c[nH+]cc1C[N@@H+]1C[C@H](O)C[C@H]1COC ZINC000651937308 411151788 /nfs/dbraw/zinc/15/17/88/411151788.db2.gz CQOMWIGGAOQSRY-CMPLNLGQSA-N 2 2 239.319 0.485 20 0 BCADLP CCn1c[nH+]cc1C[N@H+]1C[C@H](O)C[C@H]1COC ZINC000651937308 411151791 /nfs/dbraw/zinc/15/17/91/411151791.db2.gz CQOMWIGGAOQSRY-CMPLNLGQSA-N 2 2 239.319 0.485 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000657898784 411159123 /nfs/dbraw/zinc/15/91/23/411159123.db2.gz FSHQSTOUDYGEQB-VXGBXAGGSA-N 2 2 237.351 0.598 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000657898784 411159129 /nfs/dbraw/zinc/15/91/29/411159129.db2.gz FSHQSTOUDYGEQB-VXGBXAGGSA-N 2 2 237.351 0.598 20 0 BCADLP C[NH2+]Cc1cn(Cc2cc(OC)cc(C)[nH+]2)nn1 ZINC000214266089 411119436 /nfs/dbraw/zinc/11/94/36/411119436.db2.gz JLMNCJZHQPIXSN-UHFFFAOYSA-N 2 2 247.302 0.758 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000309381021 411120815 /nfs/dbraw/zinc/12/08/15/411120815.db2.gz DIDQKLCHAYJUDQ-TUAOUCFPSA-N 3 2 211.353 0.655 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000309381021 411120817 /nfs/dbraw/zinc/12/08/17/411120817.db2.gz DIDQKLCHAYJUDQ-TUAOUCFPSA-N 3 2 211.353 0.655 20 0 BCADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCOC2)C[N@@H+]1C1CC1 ZINC000130312451 411174619 /nfs/dbraw/zinc/17/46/19/411174619.db2.gz UPNNWGHIUFTQFF-HBNTYKKESA-N 2 2 210.321 0.990 20 0 BCADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCOC2)C[N@H+]1C1CC1 ZINC000130312451 411174620 /nfs/dbraw/zinc/17/46/20/411174620.db2.gz UPNNWGHIUFTQFF-HBNTYKKESA-N 2 2 210.321 0.990 20 0 BCADLP O=C(CC[NH2+]C1CC1)Nc1cc[nH+]cc1O ZINC000655608431 411176789 /nfs/dbraw/zinc/17/67/89/411176789.db2.gz CFVNWWKAMAHHGV-UHFFFAOYSA-N 2 2 221.260 0.290 20 0 BCADLP c1cn(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c[nH+]1 ZINC000401117424 411177144 /nfs/dbraw/zinc/17/71/44/411177144.db2.gz IQXUACAQLSGQLO-YNEHKIRRSA-N 3 2 234.347 0.861 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658093488 411243450 /nfs/dbraw/zinc/24/34/50/411243450.db2.gz VDBSZGURZFXAPC-NXEZZACHSA-N 2 2 227.352 0.713 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658093488 411243451 /nfs/dbraw/zinc/24/34/51/411243451.db2.gz VDBSZGURZFXAPC-NXEZZACHSA-N 2 2 227.352 0.713 20 0 BCADLP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nn1C ZINC000309909137 411189918 /nfs/dbraw/zinc/18/99/18/411189918.db2.gz LOFHAZTYMCBINK-PHIMTYICSA-N 2 2 220.320 0.380 20 0 BCADLP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nn1C ZINC000309909137 411189921 /nfs/dbraw/zinc/18/99/21/411189921.db2.gz LOFHAZTYMCBINK-PHIMTYICSA-N 2 2 220.320 0.380 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000658020353 411199831 /nfs/dbraw/zinc/19/98/31/411199831.db2.gz UZXZVUPYWGNVID-UWVGGRQHSA-N 2 2 246.318 0.537 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000658020353 411199834 /nfs/dbraw/zinc/19/98/34/411199834.db2.gz UZXZVUPYWGNVID-UWVGGRQHSA-N 2 2 246.318 0.537 20 0 BCADLP C[C@H]([NH3+])[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000420271331 411200294 /nfs/dbraw/zinc/20/02/94/411200294.db2.gz VNTPMAPPXTWXIO-YUMQZZPRSA-N 2 2 206.293 1.502 20 0 BCADLP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC000656197730 411203229 /nfs/dbraw/zinc/20/32/29/411203229.db2.gz FHSIHYLSFOYJMH-BDAKNGLRSA-N 2 2 236.323 0.368 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424190608 411245341 /nfs/dbraw/zinc/24/53/41/411245341.db2.gz PVQWLSYQRUPWNQ-GRYCIOLGSA-N 2 2 239.363 0.395 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000652338640 411203875 /nfs/dbraw/zinc/20/38/75/411203875.db2.gz KFPSGHXJWYKFME-CHWSQXEVSA-N 3 2 243.395 0.230 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000652338640 411203877 /nfs/dbraw/zinc/20/38/77/411203877.db2.gz KFPSGHXJWYKFME-CHWSQXEVSA-N 3 2 243.395 0.230 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000652338640 411203878 /nfs/dbraw/zinc/20/38/78/411203878.db2.gz KFPSGHXJWYKFME-CHWSQXEVSA-N 3 2 243.395 0.230 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000652338640 411203881 /nfs/dbraw/zinc/20/38/81/411203881.db2.gz KFPSGHXJWYKFME-CHWSQXEVSA-N 3 2 243.395 0.230 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424190608 411245343 /nfs/dbraw/zinc/24/53/43/411245343.db2.gz PVQWLSYQRUPWNQ-GRYCIOLGSA-N 2 2 239.363 0.395 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000652341127 411205337 /nfs/dbraw/zinc/20/53/37/411205337.db2.gz ICSKUAQXHRNRNN-STQMWFEESA-N 3 2 241.379 0.032 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000652341127 411205340 /nfs/dbraw/zinc/20/53/40/411205340.db2.gz ICSKUAQXHRNRNN-STQMWFEESA-N 3 2 241.379 0.032 20 0 BCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000652339743 411205682 /nfs/dbraw/zinc/20/56/82/411205682.db2.gz KNUYJHUFYNTWCP-QWRGUYRKSA-N 2 2 234.347 0.998 20 0 BCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000652339743 411205684 /nfs/dbraw/zinc/20/56/84/411205684.db2.gz KNUYJHUFYNTWCP-QWRGUYRKSA-N 2 2 234.347 0.998 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@@](C)(O)C[NH2+]C)CC[C@H]1[NH3+] ZINC000652340732 411205758 /nfs/dbraw/zinc/20/57/58/411205758.db2.gz HPQVTTLCBANUNU-UTUOFQBUSA-N 3 2 229.368 0.016 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@@](C)(O)C[NH2+]C)CC[C@H]1[NH3+] ZINC000652340732 411205761 /nfs/dbraw/zinc/20/57/61/411205761.db2.gz HPQVTTLCBANUNU-UTUOFQBUSA-N 3 2 229.368 0.016 20 0 BCADLP CC(C)OC[C@H]([NH3+])C(=O)Nc1ccc(N)[nH+]c1 ZINC000659294496 411220884 /nfs/dbraw/zinc/22/08/84/411220884.db2.gz KRRPSMSQCBNNCU-VIFPVBQESA-N 2 2 238.291 0.355 20 0 BCADLP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)nn1 ZINC000310299939 411232312 /nfs/dbraw/zinc/23/23/12/411232312.db2.gz BHZDLQVMONTXDC-JQWIXIFHSA-N 2 2 235.335 0.376 20 0 BCADLP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)nn1 ZINC000310299939 411232315 /nfs/dbraw/zinc/23/23/15/411232315.db2.gz BHZDLQVMONTXDC-JQWIXIFHSA-N 2 2 235.335 0.376 20 0 BCADLP C[C@@H](C(=O)NC(C)(C)c1[nH]cc[nH+]1)[NH+](C)C ZINC000652411783 411233606 /nfs/dbraw/zinc/23/36/06/411233606.db2.gz RVQDJVZDZGMOKA-QMMMGPOBSA-N 2 2 224.308 0.711 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CCC(C)C ZINC000310524634 411239522 /nfs/dbraw/zinc/23/95/22/411239522.db2.gz MSZVYQGLGGIQLD-CYBMUJFWSA-N 2 2 246.395 0.903 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CCC(C)C ZINC000310524634 411239525 /nfs/dbraw/zinc/23/95/25/411239525.db2.gz MSZVYQGLGGIQLD-CYBMUJFWSA-N 2 2 246.395 0.903 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CCC(C)C ZINC000310524634 411239530 /nfs/dbraw/zinc/23/95/30/411239530.db2.gz MSZVYQGLGGIQLD-CYBMUJFWSA-N 2 2 246.395 0.903 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CCC(C)C ZINC000310524634 411239531 /nfs/dbraw/zinc/23/95/31/411239531.db2.gz MSZVYQGLGGIQLD-CYBMUJFWSA-N 2 2 246.395 0.903 20 0 BCADLP C[C@H]([NH3+])C[NH+]1CCC(OCCCO)CC1 ZINC000309408424 411241842 /nfs/dbraw/zinc/24/18/42/411241842.db2.gz IEEZRPDDJSHJDH-JTQLQIEISA-N 2 2 216.325 0.197 20 0 BCADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000400956625 411166621 /nfs/dbraw/zinc/16/66/21/411166621.db2.gz YVXIOHQQDOCLKX-RWMBFGLXSA-N 3 2 248.374 0.940 20 0 BCADLP C[NH+](C)C[C@H](O)CN[C@H]1CCCn2cc[nH+]c21 ZINC000655712989 411267101 /nfs/dbraw/zinc/26/71/01/411267101.db2.gz SXQDJFFNIYDXHP-MNOVXSKESA-N 2 2 238.335 0.230 20 0 BCADLP CCOC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000656701767 411327433 /nfs/dbraw/zinc/32/74/33/411327433.db2.gz BTPFOWHQMLEXJH-VXGBXAGGSA-N 2 2 244.379 0.846 20 0 BCADLP CCOC[C@H](O)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000656701767 411327436 /nfs/dbraw/zinc/32/74/36/411327436.db2.gz BTPFOWHQMLEXJH-VXGBXAGGSA-N 2 2 244.379 0.846 20 0 BCADLP CC[C@@H]([NH3+])c1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656459414 411268737 /nfs/dbraw/zinc/26/87/37/411268737.db2.gz SZIJHAVXDREZSM-SNVBAGLBSA-N 2 2 233.275 0.564 20 0 BCADLP C[C@@H]([NH3+])Cn1cc(C[NH+]2CCSCC2)nn1 ZINC000656464960 411271317 /nfs/dbraw/zinc/27/13/17/411271317.db2.gz YDELLFXFJPNGSD-SECBINFHSA-N 2 2 241.364 0.174 20 0 BCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070645704 411271859 /nfs/dbraw/zinc/27/18/59/411271859.db2.gz GRZDCOZCZDTPDY-WPRPVWTQSA-N 2 2 224.308 0.742 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)CCC[NH3+] ZINC000656474170 411277064 /nfs/dbraw/zinc/27/70/64/411277064.db2.gz PWYRNKONKDBNTC-JTQLQIEISA-N 2 2 239.323 0.262 20 0 BCADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC000401677466 411280071 /nfs/dbraw/zinc/28/00/71/411280071.db2.gz FCKUAFBEIYFVCN-UWVGGRQHSA-N 2 2 208.309 0.508 20 0 BCADLP C[C@H]1C[N@H+](CCNC2=[NH+]CCCN2)[C@@H](C)CO1 ZINC000656508537 411288895 /nfs/dbraw/zinc/28/88/95/411288895.db2.gz KWSHWAWSWFOHEH-QWRGUYRKSA-N 2 2 240.351 0.035 20 0 BCADLP C[C@H]1C[N@@H+](CCNC2=[NH+]CCCN2)[C@@H](C)CO1 ZINC000656508537 411288896 /nfs/dbraw/zinc/28/88/96/411288896.db2.gz KWSHWAWSWFOHEH-QWRGUYRKSA-N 2 2 240.351 0.035 20 0 BCADLP CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc(N)[nH+]c1 ZINC000433166018 411289571 /nfs/dbraw/zinc/28/95/71/411289571.db2.gz DSCMHLPLXJDPQY-SECBINFHSA-N 2 2 222.292 0.833 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723907 411291653 /nfs/dbraw/zinc/29/16/53/411291653.db2.gz YGWBRFZCQXONOO-YNEHKIRRSA-N 2 2 242.363 0.144 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723907 411291655 /nfs/dbraw/zinc/29/16/55/411291655.db2.gz YGWBRFZCQXONOO-YNEHKIRRSA-N 2 2 242.363 0.144 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723907 411291657 /nfs/dbraw/zinc/29/16/57/411291657.db2.gz YGWBRFZCQXONOO-YNEHKIRRSA-N 2 2 242.363 0.144 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723907 411291659 /nfs/dbraw/zinc/29/16/59/411291659.db2.gz YGWBRFZCQXONOO-YNEHKIRRSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H](CCO)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655723923 411297327 /nfs/dbraw/zinc/29/73/27/411297327.db2.gz JIVOZAWVXSVWDR-WCQYABFASA-N 2 2 242.363 0.600 20 0 BCADLP C[C@H]1C[NH2+]C[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000401759490 411318191 /nfs/dbraw/zinc/31/81/91/411318191.db2.gz HCCNBXBRYJMGRE-NEPJUHHUSA-N 3 2 222.336 0.861 20 0 BCADLP C[C@H]1C[NH2+]C[C@@H]([NH2+]CCCn2ccnc2)C1 ZINC000401759490 411318193 /nfs/dbraw/zinc/31/81/93/411318193.db2.gz HCCNBXBRYJMGRE-NEPJUHHUSA-N 2 2 222.336 0.861 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cn2cncn2)C1 ZINC000658285727 411322792 /nfs/dbraw/zinc/32/27/92/411322792.db2.gz NFCBLBSEROAZKJ-NWDGAFQWSA-N 2 2 237.351 0.741 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)Cn2cncn2)C1 ZINC000658285727 411322794 /nfs/dbraw/zinc/32/27/94/411322794.db2.gz NFCBLBSEROAZKJ-NWDGAFQWSA-N 2 2 237.351 0.741 20 0 BCADLP C[NH+](C)CCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000656437319 411248654 /nfs/dbraw/zinc/24/86/54/411248654.db2.gz MIVLDEYGLIYNQH-UHFFFAOYSA-N 2 2 234.307 0.475 20 0 BCADLP Cc1cc(NC(=O)NCC23CC(C2)C[NH2+]3)cc[nH+]1 ZINC000659005017 411366227 /nfs/dbraw/zinc/36/62/27/411366227.db2.gz HDVVBDNQVVCWRI-UHFFFAOYSA-N 2 2 246.314 0.685 20 0 BCADLP Cn1nccc1CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660581677 411334638 /nfs/dbraw/zinc/33/46/38/411334638.db2.gz IBQRZEIWBJTEGB-UHFFFAOYSA-N 2 2 231.303 0.675 20 0 BCADLP Cn1nccc1CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000660581677 411334643 /nfs/dbraw/zinc/33/46/43/411334643.db2.gz IBQRZEIWBJTEGB-UHFFFAOYSA-N 2 2 231.303 0.675 20 0 BCADLP c1cn(CCC[N@@H+]2CCn3cncc3C2)c[nH+]1 ZINC000660582271 411335524 /nfs/dbraw/zinc/33/55/24/411335524.db2.gz NZWUMECOFZDEBV-UHFFFAOYSA-N 2 2 231.303 0.986 20 0 BCADLP c1cn(CCC[N@H+]2CCn3cncc3C2)c[nH+]1 ZINC000660582271 411335527 /nfs/dbraw/zinc/33/55/27/411335527.db2.gz NZWUMECOFZDEBV-UHFFFAOYSA-N 2 2 231.303 0.986 20 0 BCADLP C[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000656702748 411338629 /nfs/dbraw/zinc/33/86/29/411338629.db2.gz SHUZYZONCATJPN-NXEZZACHSA-N 2 2 200.326 0.830 20 0 BCADLP C[C@@H](O)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000656702748 411338634 /nfs/dbraw/zinc/33/86/34/411338634.db2.gz SHUZYZONCATJPN-NXEZZACHSA-N 2 2 200.326 0.830 20 0 BCADLP C[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000656702755 411338705 /nfs/dbraw/zinc/33/87/05/411338705.db2.gz SHUZYZONCATJPN-UWVGGRQHSA-N 2 2 200.326 0.830 20 0 BCADLP C[C@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000656702755 411338708 /nfs/dbraw/zinc/33/87/08/411338708.db2.gz SHUZYZONCATJPN-UWVGGRQHSA-N 2 2 200.326 0.830 20 0 BCADLP Cc1[nH+]ccn1CCn1cc(C[NH2+]C2CC2)nn1 ZINC000052576119 411376277 /nfs/dbraw/zinc/37/62/77/411376277.db2.gz JEDAOVZULOGJJC-UHFFFAOYSA-N 2 2 246.318 0.735 20 0 BCADLP CC1CC[NH+](CC(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000137150899 168178158 /nfs/dbraw/zinc/17/81/58/168178158.db2.gz UEFBXTKMVBCGNL-UHFFFAOYSA-N 2 2 236.319 0.758 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCCn2cncn2)n1C ZINC000657300231 411455844 /nfs/dbraw/zinc/45/58/44/411455844.db2.gz BZSYDUARJNPJME-UHFFFAOYSA-N 2 2 234.307 0.500 20 0 BCADLP C[C@@H](CC(=O)N1CCC[C@H]([NH3+])C1)n1cc[nH+]c1 ZINC000653043034 411401475 /nfs/dbraw/zinc/40/14/75/411401475.db2.gz VOONGMJUPIJSOT-QWRGUYRKSA-N 2 2 236.319 0.784 20 0 BCADLP [NH3+]CC1(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC000404687116 411404382 /nfs/dbraw/zinc/40/43/82/411404382.db2.gz MNBWTJBDJQBZHW-UHFFFAOYSA-N 2 2 236.319 0.518 20 0 BCADLP CC(C)CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653056724 411406797 /nfs/dbraw/zinc/40/67/97/411406797.db2.gz WMZNGUGECXUWLL-JTQLQIEISA-N 2 2 215.341 0.428 20 0 BCADLP CCCCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653055580 411406958 /nfs/dbraw/zinc/40/69/58/411406958.db2.gz HLFQDQDSMNVDSF-SNVBAGLBSA-N 2 2 215.341 0.572 20 0 BCADLP CC(C)N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653057179 411408517 /nfs/dbraw/zinc/40/85/17/411408517.db2.gz SARPGDHNPCWQGV-SECBINFHSA-N 2 2 201.314 0.132 20 0 BCADLP Cc1ccccc1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653060510 411409334 /nfs/dbraw/zinc/40/93/34/411409334.db2.gz GLNVKLYUHQQGIB-CYBMUJFWSA-N 2 2 249.358 0.890 20 0 BCADLP CC(C)CCN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653067586 411411536 /nfs/dbraw/zinc/41/15/36/411411536.db2.gz FMLKGZLEXOMTPG-LLVKDONJSA-N 2 2 229.368 0.770 20 0 BCADLP C[C@@H](C1CC1)N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653070568 411412812 /nfs/dbraw/zinc/41/28/12/411412812.db2.gz AZHYQPHLYAUQRC-GXSJLCMTSA-N 2 2 227.352 0.522 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422749246 411418496 /nfs/dbraw/zinc/41/84/96/411418496.db2.gz YEWSGXVGEPIBRQ-JCIQBVFBSA-N 2 2 210.321 0.894 20 0 BCADLP CCO[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1C[NH3+] ZINC000405497649 411431900 /nfs/dbraw/zinc/43/19/00/411431900.db2.gz BNUCCRHAWLHCJZ-ZYHUDNBSSA-N 2 2 238.335 0.216 20 0 BCADLP CCO[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1C[NH3+] ZINC000405497649 411431905 /nfs/dbraw/zinc/43/19/05/411431905.db2.gz BNUCCRHAWLHCJZ-ZYHUDNBSSA-N 2 2 238.335 0.216 20 0 BCADLP CCO[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1C[NH3+] ZINC000405497649 411431910 /nfs/dbraw/zinc/43/19/10/411431910.db2.gz BNUCCRHAWLHCJZ-ZYHUDNBSSA-N 2 2 238.335 0.216 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC=CCC1 ZINC000653609870 411438367 /nfs/dbraw/zinc/43/83/67/411438367.db2.gz HWBLSEQLTLULKV-LBPRGKRZSA-N 2 2 228.336 0.187 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC=CCC1 ZINC000653609870 411438370 /nfs/dbraw/zinc/43/83/70/411438370.db2.gz HWBLSEQLTLULKV-LBPRGKRZSA-N 2 2 228.336 0.187 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC=CCC1 ZINC000653609870 411438373 /nfs/dbraw/zinc/43/83/73/411438373.db2.gz HWBLSEQLTLULKV-LBPRGKRZSA-N 2 2 228.336 0.187 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC=CCC1 ZINC000653609870 411438376 /nfs/dbraw/zinc/43/83/76/411438376.db2.gz HWBLSEQLTLULKV-LBPRGKRZSA-N 2 2 228.336 0.187 20 0 BCADLP C1C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CO1 ZINC000655736880 411443763 /nfs/dbraw/zinc/44/37/63/411443763.db2.gz HTYQPGMNUWDZMC-CHWSQXEVSA-N 2 2 240.347 0.618 20 0 BCADLP C[NH2+]C[C@@H](C)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659626887 411444156 /nfs/dbraw/zinc/44/41/56/411444156.db2.gz DUUSPGKKSFZTSB-BDAKNGLRSA-N 2 2 239.323 0.388 20 0 BCADLP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659626890 411444245 /nfs/dbraw/zinc/44/42/45/411444245.db2.gz DUUSPGKKSFZTSB-IUCAKERBSA-N 2 2 239.323 0.388 20 0 BCADLP C[C@@H](NC(=O)N(C)CCC[NH3+])c1[nH+]ccn1C ZINC000659628153 411444580 /nfs/dbraw/zinc/44/45/80/411444580.db2.gz MCAGEIFVDDBZOE-SECBINFHSA-N 2 2 239.323 0.471 20 0 BCADLP C[C@H](NC(=O)N(C)[C@@H](C)C[NH3+])c1[nH+]ccn1C ZINC000659628358 411444752 /nfs/dbraw/zinc/44/47/52/411444752.db2.gz OXAPWEBWFZYHQX-IUCAKERBSA-N 2 2 239.323 0.470 20 0 BCADLP CC[C@@H](CO)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657287866 411447228 /nfs/dbraw/zinc/44/72/28/411447228.db2.gz YZEXIUCPEGNYTN-VIFPVBQESA-N 2 2 209.293 0.690 20 0 BCADLP C[C@H]1CC[N@H+](CC(=O)NCc2c[nH+]c[nH]2)C1 ZINC000654819372 411450237 /nfs/dbraw/zinc/45/02/37/411450237.db2.gz GQJSOJCQZWIPFD-VIFPVBQESA-N 2 2 222.292 0.368 20 0 BCADLP C[C@H]1CC[N@@H+](CC(=O)NCc2c[nH+]c[nH]2)C1 ZINC000654819372 411450240 /nfs/dbraw/zinc/45/02/40/411450240.db2.gz GQJSOJCQZWIPFD-VIFPVBQESA-N 2 2 222.292 0.368 20 0 BCADLP C[C@H]1CC[N@H+](CC(=O)NCc2c[nH]c[nH+]2)C1 ZINC000654819372 411450243 /nfs/dbraw/zinc/45/02/43/411450243.db2.gz GQJSOJCQZWIPFD-VIFPVBQESA-N 2 2 222.292 0.368 20 0 BCADLP C[C@H]1CC[N@@H+](CC(=O)NCc2c[nH]c[nH+]2)C1 ZINC000654819372 411450246 /nfs/dbraw/zinc/45/02/46/411450246.db2.gz GQJSOJCQZWIPFD-VIFPVBQESA-N 2 2 222.292 0.368 20 0 BCADLP Cn1c[nH+]c(CC[NH2+]Cc2cnn3c2CCC3)c1 ZINC000657489454 411532556 /nfs/dbraw/zinc/53/25/56/411532556.db2.gz SSYWVYZLTDYJFU-UHFFFAOYSA-N 2 2 245.330 0.895 20 0 BCADLP CN1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)CC1=O ZINC000657342487 411469335 /nfs/dbraw/zinc/46/93/35/411469335.db2.gz ZROYPJJFXRRMJQ-VIFPVBQESA-N 2 2 234.303 0.150 20 0 BCADLP COC[C@@](C)(O)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657369207 411483485 /nfs/dbraw/zinc/48/34/85/411483485.db2.gz AMNCILRMZJMERH-LBPRGKRZSA-N 2 2 239.319 0.316 20 0 BCADLP COC[C@@H](CCO)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657370502 411483878 /nfs/dbraw/zinc/48/38/78/411483878.db2.gz OOYDZTPAMVTDQO-SNVBAGLBSA-N 2 2 239.319 0.316 20 0 BCADLP CN1C[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)CCC1=O ZINC000657371153 411485089 /nfs/dbraw/zinc/48/50/89/411485089.db2.gz OOSDQSYDKCLCGZ-SNVBAGLBSA-N 2 2 248.330 0.540 20 0 BCADLP Oc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1 ZINC000415094606 411490526 /nfs/dbraw/zinc/49/05/26/411490526.db2.gz KLBOJQBKZZLCNK-LBPRGKRZSA-N 2 2 222.288 0.470 20 0 BCADLP COC[C@@](C)(CO)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657389362 411491108 /nfs/dbraw/zinc/49/11/08/411491108.db2.gz KTDBBDJBWULRMF-GFCCVEGCSA-N 2 2 239.319 0.316 20 0 BCADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)C(=O)N(C)C ZINC000657388878 411491539 /nfs/dbraw/zinc/49/15/39/411491539.db2.gz PRXYATNXQDXJGY-SECBINFHSA-N 2 2 236.319 0.396 20 0 BCADLP COC[C@@](C)(CCO)[NH2+]Cc1c[nH+]c(C)n1C ZINC000657390082 411491595 /nfs/dbraw/zinc/49/15/95/411491595.db2.gz SLHLAYKFGHARBB-GFCCVEGCSA-N 2 2 241.335 0.606 20 0 BCADLP CCN(C)C(=O)[C@H](C)[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000415116938 411492212 /nfs/dbraw/zinc/49/22/12/411492212.db2.gz ZZHZAWRBIKCVTR-QWRGUYRKSA-N 2 2 229.368 0.816 20 0 BCADLP CCN(C)C(=O)[C@@H](C)[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000415116937 411492507 /nfs/dbraw/zinc/49/25/07/411492507.db2.gz ZZHZAWRBIKCVTR-MNOVXSKESA-N 2 2 229.368 0.816 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H](CO)CC2CC2)n1C ZINC000657415727 411499782 /nfs/dbraw/zinc/49/97/82/411499782.db2.gz GTUMCDIFIFZMJE-NSHDSACASA-N 2 2 223.320 0.979 20 0 BCADLP CCN1CC[C@@H]([N@@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000659925633 411499954 /nfs/dbraw/zinc/49/99/54/411499954.db2.gz KCHNWUYZLBKGIL-VXGBXAGGSA-N 2 2 239.363 0.491 20 0 BCADLP CCN1CC[C@@H]([N@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000659925633 411499957 /nfs/dbraw/zinc/49/99/57/411499957.db2.gz KCHNWUYZLBKGIL-VXGBXAGGSA-N 2 2 239.363 0.491 20 0 BCADLP CCN1CC[C@H]([N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000659925631 411500376 /nfs/dbraw/zinc/50/03/76/411500376.db2.gz KCHNWUYZLBKGIL-RYUDHWBXSA-N 2 2 239.363 0.491 20 0 BCADLP CCN1CC[C@H]([N@H+]2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000659925631 411500377 /nfs/dbraw/zinc/50/03/77/411500377.db2.gz KCHNWUYZLBKGIL-RYUDHWBXSA-N 2 2 239.363 0.491 20 0 BCADLP O[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)C(F)(F)F ZINC000657448563 411509860 /nfs/dbraw/zinc/50/98/60/411509860.db2.gz SDCRUJTZUGPECF-MRVPVSSYSA-N 2 2 249.236 0.842 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)n1C ZINC000657445814 411512896 /nfs/dbraw/zinc/51/28/96/411512896.db2.gz LBYHDNOHAWNZDB-ZYHUDNBSSA-N 2 2 223.320 0.979 20 0 BCADLP O=C1CCC[C@H](C[NH2+]Cc2c[nH+]c3n2CCC3)N1 ZINC000657453151 411514828 /nfs/dbraw/zinc/51/48/28/411514828.db2.gz WFSPLJJZNYKLAG-SNVBAGLBSA-N 2 2 248.330 0.588 20 0 BCADLP CC[C@H]([NH3+])CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659547155 411517281 /nfs/dbraw/zinc/51/72/81/411517281.db2.gz BKLFDRBKCILYHW-IUCAKERBSA-N 2 2 239.323 0.518 20 0 BCADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCc3cn[nH]n3)C2)[nH]1 ZINC000660078248 411534957 /nfs/dbraw/zinc/53/49/57/411534957.db2.gz SLOMUVPIDFLLEG-JTQLQIEISA-N 2 2 246.318 0.950 20 0 BCADLP c1c[nH+]c([C@H]2CCC[N@H+](CCc3cn[nH]n3)C2)[nH]1 ZINC000660078248 411534958 /nfs/dbraw/zinc/53/49/58/411534958.db2.gz SLOMUVPIDFLLEG-JTQLQIEISA-N 2 2 246.318 0.950 20 0 BCADLP C[C@H]1C[C@@H]([NH+](C)CCc2c[nH]nn2)CC[N@@H+]1C ZINC000659984667 411520244 /nfs/dbraw/zinc/52/02/44/411520244.db2.gz QRSYZCGGVHCSIK-JQWIXIFHSA-N 2 2 237.351 0.762 20 0 BCADLP C[C@H]1C[C@@H]([NH+](C)CCc2c[nH]nn2)CC[N@H+]1C ZINC000659984667 411520245 /nfs/dbraw/zinc/52/02/45/411520245.db2.gz QRSYZCGGVHCSIK-JQWIXIFHSA-N 2 2 237.351 0.762 20 0 BCADLP C[C@H]1C[C@@H]([N@H+](C)CCc2c[nH]nn2)CC[NH+]1C ZINC000659984667 411520247 /nfs/dbraw/zinc/52/02/47/411520247.db2.gz QRSYZCGGVHCSIK-JQWIXIFHSA-N 2 2 237.351 0.762 20 0 BCADLP C[C@H]1C[C@@H]([N@@H+](C)CCc2c[nH]nn2)CC[NH+]1C ZINC000659984667 411520249 /nfs/dbraw/zinc/52/02/49/411520249.db2.gz QRSYZCGGVHCSIK-JQWIXIFHSA-N 2 2 237.351 0.762 20 0 BCADLP C[C@H]1C[C@@H]([NH+](C)CCc2cn[nH]n2)CC[N@@H+]1C ZINC000659984667 411520251 /nfs/dbraw/zinc/52/02/51/411520251.db2.gz QRSYZCGGVHCSIK-JQWIXIFHSA-N 2 2 237.351 0.762 20 0 BCADLP C[C@H]1C[C@@H]([NH+](C)CCc2cn[nH]n2)CC[N@H+]1C ZINC000659984667 411520253 /nfs/dbraw/zinc/52/02/53/411520253.db2.gz QRSYZCGGVHCSIK-JQWIXIFHSA-N 2 2 237.351 0.762 20 0 BCADLP C[C@H]1C[C@@H]([N@H+](C)CCc2cn[nH]n2)CC[NH+]1C ZINC000659984667 411520254 /nfs/dbraw/zinc/52/02/54/411520254.db2.gz QRSYZCGGVHCSIK-JQWIXIFHSA-N 2 2 237.351 0.762 20 0 BCADLP C[C@H]1C[C@@H]([N@@H+](C)CCc2cn[nH]n2)CC[NH+]1C ZINC000659984667 411520256 /nfs/dbraw/zinc/52/02/56/411520256.db2.gz QRSYZCGGVHCSIK-JQWIXIFHSA-N 2 2 237.351 0.762 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806241 411520348 /nfs/dbraw/zinc/52/03/48/411520348.db2.gz SIBDIQIARPEBPU-FVCCEPFGSA-N 3 2 225.380 0.866 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806241 411520351 /nfs/dbraw/zinc/52/03/51/411520351.db2.gz SIBDIQIARPEBPU-FVCCEPFGSA-N 3 2 225.380 0.866 20 0 BCADLP c1[nH+]c2n(c1C[NH2+]C1COCCOC1)CCC2 ZINC000657472201 411522838 /nfs/dbraw/zinc/52/28/38/411522838.db2.gz OUZWKGXLXHUEKT-UHFFFAOYSA-N 2 2 237.303 0.334 20 0 BCADLP COCC1(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000655819155 411525525 /nfs/dbraw/zinc/52/55/25/411525525.db2.gz WNXZOLOTBQEHQZ-WDEREUQCSA-N 2 2 212.337 0.953 20 0 BCADLP COCC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000655819155 411525528 /nfs/dbraw/zinc/52/55/28/411525528.db2.gz WNXZOLOTBQEHQZ-WDEREUQCSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000655829607 411530541 /nfs/dbraw/zinc/53/05/41/411530541.db2.gz NURAJSNHKBDCHS-CKYFFXLPSA-N 2 2 249.362 0.212 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000655829607 411530542 /nfs/dbraw/zinc/53/05/42/411530542.db2.gz NURAJSNHKBDCHS-CKYFFXLPSA-N 2 2 249.362 0.212 20 0 BCADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc[nH]n2)C1 ZINC000037484307 170007901 /nfs/dbraw/zinc/00/79/01/170007901.db2.gz XAHMHRJIFYSNBI-JTQLQIEISA-N 2 2 208.309 0.841 20 0 BCADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc[nH]n2)C1 ZINC000037484307 170007902 /nfs/dbraw/zinc/00/79/02/170007902.db2.gz XAHMHRJIFYSNBI-JTQLQIEISA-N 2 2 208.309 0.841 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC)C[C@H]1C ZINC000362174127 170010169 /nfs/dbraw/zinc/01/01/69/170010169.db2.gz UDXARDLGGYGIGK-GHMZBOCLSA-N 2 2 227.352 0.537 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC)C[C@H]1C ZINC000362174127 170010170 /nfs/dbraw/zinc/01/01/70/170010170.db2.gz UDXARDLGGYGIGK-GHMZBOCLSA-N 2 2 227.352 0.537 20 0 BCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC)C[C@H]1C ZINC000362174127 170010172 /nfs/dbraw/zinc/01/01/72/170010172.db2.gz UDXARDLGGYGIGK-GHMZBOCLSA-N 2 2 227.352 0.537 20 0 BCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC)C[C@H]1C ZINC000362174127 170010173 /nfs/dbraw/zinc/01/01/73/170010173.db2.gz UDXARDLGGYGIGK-GHMZBOCLSA-N 2 2 227.352 0.537 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCN2CCC2)C1 ZINC000309026430 170029987 /nfs/dbraw/zinc/02/99/87/170029987.db2.gz AVSASNDOYQXZNG-NEPJUHHUSA-N 2 2 211.353 0.622 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCN2CCC2)C1 ZINC000309026430 170029988 /nfs/dbraw/zinc/02/99/88/170029988.db2.gz AVSASNDOYQXZNG-NEPJUHHUSA-N 2 2 211.353 0.622 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCOCCOC)C1 ZINC000309467870 170030342 /nfs/dbraw/zinc/03/03/42/170030342.db2.gz PYTPWMPMZKECPH-NEPJUHHUSA-N 2 2 230.352 0.579 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCOCCOC)C1 ZINC000309467870 170030344 /nfs/dbraw/zinc/03/03/44/170030344.db2.gz PYTPWMPMZKECPH-NEPJUHHUSA-N 2 2 230.352 0.579 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCc2cnccn2)C1 ZINC000341271713 170031531 /nfs/dbraw/zinc/03/15/31/170031531.db2.gz VUMIBYOPAXSREU-DGCLKSJQSA-N 2 2 234.347 0.949 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCc2cnccn2)C1 ZINC000341271713 170031532 /nfs/dbraw/zinc/03/15/32/170031532.db2.gz VUMIBYOPAXSREU-DGCLKSJQSA-N 2 2 234.347 0.949 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCOCCOC)C1 ZINC000309467873 170032178 /nfs/dbraw/zinc/03/21/78/170032178.db2.gz PYTPWMPMZKECPH-VXGBXAGGSA-N 2 2 230.352 0.579 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCOCCOC)C1 ZINC000309467873 170032180 /nfs/dbraw/zinc/03/21/80/170032180.db2.gz PYTPWMPMZKECPH-VXGBXAGGSA-N 2 2 230.352 0.579 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCn2cncn2)C1 ZINC000336671725 170032284 /nfs/dbraw/zinc/03/22/84/170032284.db2.gz AAJDZKUYOLWVCY-GHMZBOCLSA-N 2 2 223.324 0.208 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCn2cncn2)C1 ZINC000336671725 170032286 /nfs/dbraw/zinc/03/22/86/170032286.db2.gz AAJDZKUYOLWVCY-GHMZBOCLSA-N 2 2 223.324 0.208 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CC(C)(C)C(N)=O)[C@@H](C)C1 ZINC000309956136 170034897 /nfs/dbraw/zinc/03/48/97/170034897.db2.gz IKLAPQQHZOZWKM-UWVGGRQHSA-N 2 2 227.352 0.428 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]CC(C)(C)C(N)=O)[C@@H](C)C1 ZINC000309956136 170034899 /nfs/dbraw/zinc/03/48/99/170034899.db2.gz IKLAPQQHZOZWKM-UWVGGRQHSA-N 2 2 227.352 0.428 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H](C)CO)[C@@H](C)C1 ZINC000336669345 170036135 /nfs/dbraw/zinc/03/61/35/170036135.db2.gz XRCUVPHCXYVFII-VWYCJHECSA-N 2 2 200.326 0.545 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2)[C@@H](C)C1 ZINC000309929023 170037626 /nfs/dbraw/zinc/03/76/26/170037626.db2.gz WYNKKARYLCQAFU-AXFHLTTASA-N 2 2 225.336 0.195 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2)[C@@H](C)C1 ZINC000309929023 170037627 /nfs/dbraw/zinc/03/76/27/170037627.db2.gz WYNKKARYLCQAFU-AXFHLTTASA-N 2 2 225.336 0.195 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC[C@@H](C)O)C1 ZINC000308537451 170038187 /nfs/dbraw/zinc/03/81/87/170038187.db2.gz SXEVONCYGYLIAU-HBNTYKKESA-N 2 2 200.326 0.687 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC[C@@H](C)O)C1 ZINC000308537451 170038189 /nfs/dbraw/zinc/03/81/89/170038189.db2.gz SXEVONCYGYLIAU-HBNTYKKESA-N 2 2 200.326 0.687 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)COC)C1 ZINC000308500527 170039816 /nfs/dbraw/zinc/03/98/16/170039816.db2.gz GGQCAVLAUSZRAK-HBNTYKKESA-N 2 2 200.326 0.951 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)COC)C1 ZINC000308500527 170039817 /nfs/dbraw/zinc/03/98/17/170039817.db2.gz GGQCAVLAUSZRAK-HBNTYKKESA-N 2 2 200.326 0.951 20 0 BCADLP CCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000362179281 170055209 /nfs/dbraw/zinc/05/52/09/170055209.db2.gz FPGOUCAXIMGMLG-VXGBXAGGSA-N 2 2 241.379 0.927 20 0 BCADLP CCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000362179281 170055212 /nfs/dbraw/zinc/05/52/12/170055212.db2.gz FPGOUCAXIMGMLG-VXGBXAGGSA-N 2 2 241.379 0.927 20 0 BCADLP CCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000362179281 170055214 /nfs/dbraw/zinc/05/52/14/170055214.db2.gz FPGOUCAXIMGMLG-VXGBXAGGSA-N 2 2 241.379 0.927 20 0 BCADLP CCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000362179281 170055215 /nfs/dbraw/zinc/05/52/15/170055215.db2.gz FPGOUCAXIMGMLG-VXGBXAGGSA-N 2 2 241.379 0.927 20 0 BCADLP CCNC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267497270 170058261 /nfs/dbraw/zinc/05/82/61/170058261.db2.gz RGLMGQJPBBXWJK-UHFFFAOYSA-N 2 2 236.319 0.725 20 0 BCADLP CCNC(=O)C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000040601207 170059743 /nfs/dbraw/zinc/05/97/43/170059743.db2.gz WOBJURVVGWCDHI-JTQLQIEISA-N 2 2 213.325 0.054 20 0 BCADLP CCNC(=O)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000040601207 170059744 /nfs/dbraw/zinc/05/97/44/170059744.db2.gz WOBJURVVGWCDHI-JTQLQIEISA-N 2 2 213.325 0.054 20 0 BCADLP CC(C)n1c[nH+]cc1C[NH2+][C@H]1CCNC1=O ZINC000657525354 411543088 /nfs/dbraw/zinc/54/30/88/411543088.db2.gz YLBOYASITOIIJV-JTQLQIEISA-N 2 2 222.292 0.442 20 0 BCADLP CCNC(=O)[C@H]([NH2+]C1CC[NH+](C)CC1)C(C)C ZINC000354067875 170098491 /nfs/dbraw/zinc/09/84/91/170098491.db2.gz HRYSYFJQTAYSGG-GFCCVEGCSA-N 2 2 241.379 0.831 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849720 411538040 /nfs/dbraw/zinc/53/80/40/411538040.db2.gz PPSVUWXJXLCTRI-IJLUTSLNSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849720 411538043 /nfs/dbraw/zinc/53/80/43/411538043.db2.gz PPSVUWXJXLCTRI-IJLUTSLNSA-N 2 2 239.363 0.857 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)[C@H]1CCOC1 ZINC000657541058 411546761 /nfs/dbraw/zinc/54/67/61/411546761.db2.gz JKCAZCBFJLPNDQ-YVECIDJPSA-N 2 2 242.363 0.578 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)[C@H]1CCOC1 ZINC000657541058 411546763 /nfs/dbraw/zinc/54/67/63/411546763.db2.gz JKCAZCBFJLPNDQ-YVECIDJPSA-N 2 2 242.363 0.578 20 0 BCADLP CCOC(=O)C(C)(C)[NH2+]CCn1cc[nH+]c1 ZINC000270910254 170187242 /nfs/dbraw/zinc/18/72/42/170187242.db2.gz SRRKRXXCGZMUPC-UHFFFAOYSA-N 2 2 225.292 0.814 20 0 BCADLP CCOC(=O)CC[N@@H+](C)CCn1cc[nH+]c1 ZINC000050067285 170203991 /nfs/dbraw/zinc/20/39/91/170203991.db2.gz ZJXVZIYKYMHFCP-UHFFFAOYSA-N 2 2 225.292 0.768 20 0 BCADLP CCOC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000069626804 170220096 /nfs/dbraw/zinc/22/00/96/170220096.db2.gz DHWSNMYBIPJSJU-ZJUUUORDSA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000069626804 170220097 /nfs/dbraw/zinc/22/00/97/170220097.db2.gz DHWSNMYBIPJSJU-ZJUUUORDSA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000371085926 170221069 /nfs/dbraw/zinc/22/10/69/170221069.db2.gz HUGCPJREMUDKHR-JTQLQIEISA-N 2 2 237.303 0.773 20 0 BCADLP CCOC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000371085926 170221070 /nfs/dbraw/zinc/22/10/70/170221070.db2.gz HUGCPJREMUDKHR-JTQLQIEISA-N 2 2 237.303 0.773 20 0 BCADLP CCOC(=O)[C@@H](CC)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000227082404 170249899 /nfs/dbraw/zinc/24/98/99/170249899.db2.gz JQWLLWRXPVCEOR-WDEREUQCSA-N 2 2 228.336 0.999 20 0 BCADLP CCOC(=O)[C@@H](CC)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000227082404 170249900 /nfs/dbraw/zinc/24/99/00/170249900.db2.gz JQWLLWRXPVCEOR-WDEREUQCSA-N 2 2 228.336 0.999 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070074609 170266508 /nfs/dbraw/zinc/26/65/08/170266508.db2.gz AAUYIPMWDYCMME-VWYCJHECSA-N 2 2 228.336 0.997 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070074609 170266509 /nfs/dbraw/zinc/26/65/09/170266509.db2.gz AAUYIPMWDYCMME-VWYCJHECSA-N 2 2 228.336 0.997 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000250665017 170266614 /nfs/dbraw/zinc/26/66/14/170266614.db2.gz HSRAJVREWUPWBZ-GUBZILKMSA-N 2 2 214.309 0.607 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000250665017 170266616 /nfs/dbraw/zinc/26/66/16/170266616.db2.gz HSRAJVREWUPWBZ-GUBZILKMSA-N 2 2 214.309 0.607 20 0 BCADLP CCOC(=O)[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000050064413 170280927 /nfs/dbraw/zinc/28/09/27/170280927.db2.gz XMANJLMCBDWZPQ-LLVKDONJSA-N 2 2 237.303 0.911 20 0 BCADLP CCOC(=O)[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000050064413 170280930 /nfs/dbraw/zinc/28/09/30/170280930.db2.gz XMANJLMCBDWZPQ-LLVKDONJSA-N 2 2 237.303 0.911 20 0 BCADLP CCOC1CC([NH2+][C@H]2CC[N@H+](CCOC)C2)C1 ZINC000328339601 170330477 /nfs/dbraw/zinc/33/04/77/170330477.db2.gz KLWVTZMEPKAZAJ-HIFPTAJRSA-N 2 2 242.363 0.864 20 0 BCADLP CCOC1CC([NH2+][C@H]2CC[N@@H+](CCOC)C2)C1 ZINC000328339601 170330479 /nfs/dbraw/zinc/33/04/79/170330479.db2.gz KLWVTZMEPKAZAJ-HIFPTAJRSA-N 2 2 242.363 0.864 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000657707948 411585374 /nfs/dbraw/zinc/58/53/74/411585374.db2.gz WKAMVIRTCWVQQS-WRWGMCAJSA-N 2 2 224.348 0.830 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000657707948 411585375 /nfs/dbraw/zinc/58/53/75/411585375.db2.gz WKAMVIRTCWVQQS-WRWGMCAJSA-N 2 2 224.348 0.830 20 0 BCADLP C[C@@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660472372 411590416 /nfs/dbraw/zinc/59/04/16/411590416.db2.gz FMPYADPLIPBXAT-OLZOCXBDSA-N 2 2 242.363 0.554 20 0 BCADLP C[C@@H](O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660472372 411590418 /nfs/dbraw/zinc/59/04/18/411590418.db2.gz FMPYADPLIPBXAT-OLZOCXBDSA-N 2 2 242.363 0.554 20 0 BCADLP c1cn(CC[N@@H+]2CCn3cncc3C2)c[nH+]1 ZINC000660582281 411602786 /nfs/dbraw/zinc/60/27/86/411602786.db2.gz OJVRYOUNQPJTNN-UHFFFAOYSA-N 2 2 217.276 0.595 20 0 BCADLP c1cn(CC[N@H+]2CCn3cncc3C2)c[nH+]1 ZINC000660582281 411602788 /nfs/dbraw/zinc/60/27/88/411602788.db2.gz OJVRYOUNQPJTNN-UHFFFAOYSA-N 2 2 217.276 0.595 20 0 BCADLP OCCCCC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660580223 411602948 /nfs/dbraw/zinc/60/29/48/411602948.db2.gz NCUIJCMDMZRRIN-UHFFFAOYSA-N 2 2 209.293 0.861 20 0 BCADLP OCCCCC[N@H+]1CCn2c[nH+]cc2C1 ZINC000660580223 411602949 /nfs/dbraw/zinc/60/29/49/411602949.db2.gz NCUIJCMDMZRRIN-UHFFFAOYSA-N 2 2 209.293 0.861 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+]CC[NH+]1CCCCC1 ZINC000657831414 411609221 /nfs/dbraw/zinc/60/92/21/411609221.db2.gz XVMFIUVORFTGDB-GFCCVEGCSA-N 2 2 237.351 0.742 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000657843767 411610740 /nfs/dbraw/zinc/61/07/40/411610740.db2.gz HHPAJSLUUYNDNM-QWRGUYRKSA-N 2 2 223.324 0.350 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000657843767 411610741 /nfs/dbraw/zinc/61/07/41/411610741.db2.gz HHPAJSLUUYNDNM-QWRGUYRKSA-N 2 2 223.324 0.350 20 0 BCADLP CC1(C)C[N@H+](C[C@H]2C[NH2+]CCO2)CCS1 ZINC000133318549 411709842 /nfs/dbraw/zinc/70/98/42/411709842.db2.gz JIQCSVFPFRJLCD-SNVBAGLBSA-N 2 2 230.377 0.802 20 0 BCADLP CC1(C)C[N@@H+](C[C@H]2C[NH2+]CCO2)CCS1 ZINC000133318549 411709845 /nfs/dbraw/zinc/70/98/45/411709845.db2.gz JIQCSVFPFRJLCD-SNVBAGLBSA-N 2 2 230.377 0.802 20 0 BCADLP CC[C@@H](C)[N@H+](CC)CC(=O)N1CC[NH+](C)CC1 ZINC000661105853 411711392 /nfs/dbraw/zinc/71/13/92/411711392.db2.gz JXTJSWWJCVQXKD-GFCCVEGCSA-N 2 2 241.379 0.881 20 0 BCADLP Cc1cc(NC[C@H]2C[NH2+]CCO2)nc(C2CC2)[nH+]1 ZINC000333625357 411653462 /nfs/dbraw/zinc/65/34/62/411653462.db2.gz FTARYHYHQVDUSS-LLVKDONJSA-N 2 2 248.330 1.063 20 0 BCADLP C[N@H+](CCC[NH3+])CC(=O)Nc1nccs1 ZINC000133217863 411657827 /nfs/dbraw/zinc/65/78/27/411657827.db2.gz FFQFAJBSAOMNLO-UHFFFAOYSA-N 2 2 228.321 0.362 20 0 BCADLP C[N@@H+](CCC[NH3+])CC(=O)Nc1nccs1 ZINC000133217863 411657830 /nfs/dbraw/zinc/65/78/30/411657830.db2.gz FFQFAJBSAOMNLO-UHFFFAOYSA-N 2 2 228.321 0.362 20 0 BCADLP C[N@H+](CC(C)(C)C[NH3+])C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494012 411672569 /nfs/dbraw/zinc/67/25/69/411672569.db2.gz GQLYJCFMIGOYFQ-PWSUYJOCSA-N 3 2 211.353 0.513 20 0 BCADLP C[N@@H+](CC(C)(C)C[NH3+])C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494012 411672573 /nfs/dbraw/zinc/67/25/73/411672573.db2.gz GQLYJCFMIGOYFQ-PWSUYJOCSA-N 3 2 211.353 0.513 20 0 BCADLP CCn1nccc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663499532 411682907 /nfs/dbraw/zinc/68/29/07/411682907.db2.gz YEQIPTPDCFWVAY-UHFFFAOYSA-N 2 2 220.320 0.745 20 0 BCADLP CCn1cc(C[NH2+]CC23CC(C2)C[NH2+]3)cn1 ZINC000663501142 411686046 /nfs/dbraw/zinc/68/60/46/411686046.db2.gz ADHSIHAINDQIIK-UHFFFAOYSA-N 2 2 220.320 0.745 20 0 BCADLP Cc1n[nH]c(C)c1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663501959 411686483 /nfs/dbraw/zinc/68/64/83/411686483.db2.gz LVEPHUUQXSIEQQ-UHFFFAOYSA-N 2 2 220.320 0.868 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccccc1-n1cncn1 ZINC000663508655 411690008 /nfs/dbraw/zinc/69/00/08/411690008.db2.gz RFKUUYDVQYKZNS-NSHDSACASA-N 2 2 245.330 0.965 20 0 BCADLP CC1(C[N@@H+]2CCOC3(C[NH2+]C3)C2)CCC1 ZINC000663511833 411691781 /nfs/dbraw/zinc/69/17/81/411691781.db2.gz WWNLKVLIZVBLQH-UHFFFAOYSA-N 2 2 210.321 0.851 20 0 BCADLP CC1(C[N@H+]2CCOC3(C[NH2+]C3)C2)CCC1 ZINC000663511833 411691784 /nfs/dbraw/zinc/69/17/84/411691784.db2.gz WWNLKVLIZVBLQH-UHFFFAOYSA-N 2 2 210.321 0.851 20 0 BCADLP Cc1c[nH+]c(C)nc1NC[C@H](C)[NH+](C)C ZINC000568249473 411734822 /nfs/dbraw/zinc/73/48/22/411734822.db2.gz RFZKZIRICXEVQH-VIFPVBQESA-N 2 2 208.309 1.455 20 0 BCADLP Cc1c[nH+]c(C)nc1NC[C@](C)(O)C[NH+](C)C ZINC000558533275 411736877 /nfs/dbraw/zinc/73/68/77/411736877.db2.gz AJKBORUPMCRWAD-LBPRGKRZSA-N 2 2 238.335 0.818 20 0 BCADLP C[NH+](C)C[C@H](CO)Nc1[nH+]cnc2[nH]ccc21 ZINC000663910819 411771551 /nfs/dbraw/zinc/77/15/51/411771551.db2.gz OWZKDXWEDOYBSA-MRVPVSSYSA-N 2 2 235.291 0.292 20 0 BCADLP Cc1nc(N[C@@H](C)CN2CC[NH+](C)CC2)cc[nH+]1 ZINC000361017929 411786433 /nfs/dbraw/zinc/78/64/33/411786433.db2.gz PYEJMXLZIBDHOW-NSHDSACASA-N 2 2 249.362 0.833 20 0 BCADLP Cc1cc(N2CC(C[NH+](C)C)C2)nc[nH+]1 ZINC000663950471 411788470 /nfs/dbraw/zinc/78/84/70/411788470.db2.gz KDBLSTJMYVCQSY-UHFFFAOYSA-N 2 2 206.293 0.783 20 0 BCADLP OC[C@H]([NH2+]CCn1cc[nH+]c1)C1CCC1 ZINC000661151925 411720074 /nfs/dbraw/zinc/72/00/74/411720074.db2.gz SBUUYBSIOCOJPY-NSHDSACASA-N 2 2 209.293 0.634 20 0 BCADLP C[C@@]12COC[C@H]1C[N@H+](CCn1cc[nH+]c1)C2 ZINC000661699323 411845353 /nfs/dbraw/zinc/84/53/53/411845353.db2.gz JSOWHZXZLPQWEZ-VXGBXAGGSA-N 2 2 221.304 0.851 20 0 BCADLP C[C@@]12COC[C@H]1C[N@@H+](CCn1cc[nH+]c1)C2 ZINC000661699323 411845354 /nfs/dbraw/zinc/84/53/54/411845354.db2.gz JSOWHZXZLPQWEZ-VXGBXAGGSA-N 2 2 221.304 0.851 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NC(C)(C)C ZINC000133595380 411851749 /nfs/dbraw/zinc/85/17/49/411851749.db2.gz HYRQBKVMVUQCPI-ZJUUUORDSA-N 2 2 227.352 0.713 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NC(C)(C)C ZINC000133595380 411851752 /nfs/dbraw/zinc/85/17/52/411851752.db2.gz HYRQBKVMVUQCPI-ZJUUUORDSA-N 2 2 227.352 0.713 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCC(=O)N(C)CC1 ZINC000661805569 411886024 /nfs/dbraw/zinc/88/60/24/411886024.db2.gz MHFATSWMIOYLQX-UHFFFAOYSA-N 2 2 236.319 0.127 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC(=O)N(C)CC1 ZINC000661805569 411886026 /nfs/dbraw/zinc/88/60/26/411886026.db2.gz MHFATSWMIOYLQX-UHFFFAOYSA-N 2 2 236.319 0.127 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCOC[C@H]1CO ZINC000314883775 411888870 /nfs/dbraw/zinc/88/88/70/411888870.db2.gz LVMKUERFTRLYFU-GFCCVEGCSA-N 2 2 239.319 0.046 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CCOC[C@H]1CO ZINC000314883775 411888875 /nfs/dbraw/zinc/88/88/75/411888875.db2.gz LVMKUERFTRLYFU-GFCCVEGCSA-N 2 2 239.319 0.046 20 0 BCADLP O[C@@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)C12CCC2 ZINC000661829480 411893514 /nfs/dbraw/zinc/89/35/14/411893514.db2.gz CAJUDHPKCGOLRG-GHMZBOCLSA-N 2 2 221.304 0.776 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cnc(N)s2)C1 ZINC000576346532 411902841 /nfs/dbraw/zinc/90/28/41/411902841.db2.gz LSUAATSGSPEYPH-SECBINFHSA-N 2 2 240.376 1.157 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cnc(N)s2)C1 ZINC000576346532 411902844 /nfs/dbraw/zinc/90/28/44/411902844.db2.gz LSUAATSGSPEYPH-SECBINFHSA-N 2 2 240.376 1.157 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cnc(N)s1 ZINC000414932946 411904106 /nfs/dbraw/zinc/90/41/06/411904106.db2.gz RNLPJOXPPIJMLQ-APPZFPTMSA-N 2 2 226.349 0.813 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000417781930 411905253 /nfs/dbraw/zinc/90/52/53/411905253.db2.gz KSXNDFZCUBMDEN-SCZZXKLOSA-N 2 2 234.303 0.990 20 0 BCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1ccnc(N)c1 ZINC000420357050 411906198 /nfs/dbraw/zinc/90/61/98/411906198.db2.gz DCUPSVMUVMSLGE-GBIKHYSHSA-N 2 2 234.347 1.140 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(N)nc1 ZINC000647547070 411907790 /nfs/dbraw/zinc/90/77/90/411907790.db2.gz MLDQXNZXLFQBAI-MWLCHTKSSA-N 2 2 220.320 0.751 20 0 BCADLP C[C@@H]1C[NH2+]CCN1Cc1cc[nH+]c(N)c1 ZINC000420295967 411909247 /nfs/dbraw/zinc/90/92/47/411909247.db2.gz PSIPJTBNDZZBIL-SECBINFHSA-N 2 2 206.293 0.458 20 0 BCADLP Cc1cc(N(C)CC2C[NH+](C)C2)nc[nH+]1 ZINC000664328549 411922960 /nfs/dbraw/zinc/92/29/60/411922960.db2.gz DKAOSFAIMMUNKT-UHFFFAOYSA-N 2 2 206.293 0.783 20 0 BCADLP C[C@H]1CC[C@@H]([NH2+]Cc2cnc(N)s2)C[NH2+]1 ZINC000629660115 411930235 /nfs/dbraw/zinc/93/02/35/411930235.db2.gz NXXVBUCZSCWUBI-JGVFFNPUSA-N 2 2 226.349 0.955 20 0 BCADLP C[C@H]1[NH2+]CCN(Cc2cc[nH+]c(N)c2)[C@@H]1C ZINC000420306402 411932857 /nfs/dbraw/zinc/93/28/57/411932857.db2.gz HICUQBSDWJBLNK-NXEZZACHSA-N 2 2 220.320 0.846 20 0 BCADLP Nc1cc(CN(C2CC2)[C@@H]2CC[NH2+]C2)cc[nH+]1 ZINC000420324266 411941353 /nfs/dbraw/zinc/94/13/53/411941353.db2.gz UWTQENAPEMRAFL-GFCCVEGCSA-N 2 2 232.331 0.990 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cnc(N)s1 ZINC000573000818 411875007 /nfs/dbraw/zinc/87/50/07/411875007.db2.gz TYMDQFFCWLEGCO-RITPCOANSA-N 2 2 200.311 0.551 20 0 BCADLP C[N@H+](Cc1ccnc(N)c1)[C@@H](C[NH3+])C1CC1 ZINC000563149715 411883067 /nfs/dbraw/zinc/88/30/67/411883067.db2.gz HMVNAVBLWWMSFT-NSHDSACASA-N 2 2 220.320 0.833 20 0 BCADLP C[N@@H+](Cc1ccnc(N)c1)[C@@H](C[NH3+])C1CC1 ZINC000563149715 411883071 /nfs/dbraw/zinc/88/30/71/411883071.db2.gz HMVNAVBLWWMSFT-NSHDSACASA-N 2 2 220.320 0.833 20 0 BCADLP C[C@@H]([NH3+])CCC(=O)Nc1ccc(N)[nH+]c1 ZINC000381457382 411883443 /nfs/dbraw/zinc/88/34/43/411883443.db2.gz JSPBVUFVJPGTPF-SSDOTTSWSA-N 2 2 208.265 0.730 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cnc(N)s1 ZINC000629653742 411884060 /nfs/dbraw/zinc/88/40/60/411884060.db2.gz MWBQLSIAIRCXPI-DTWKUNHWSA-N 2 2 226.349 0.955 20 0 BCADLP Nc1ncc(C[NH2+][C@@H]2CCCC[NH2+]C2)s1 ZINC000415070478 411964128 /nfs/dbraw/zinc/96/41/28/411964128.db2.gz ITQJARKVRDDFPQ-MRVPVSSYSA-N 2 2 226.349 0.957 20 0 BCADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)C[C@]1(C)CO ZINC000662140554 412001723 /nfs/dbraw/zinc/00/17/23/412001723.db2.gz CQTDZJQNFGZEBL-NWDGAFQWSA-N 2 2 223.320 0.833 20 0 BCADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@]1(C)CO ZINC000662140554 412001726 /nfs/dbraw/zinc/00/17/26/412001726.db2.gz CQTDZJQNFGZEBL-NWDGAFQWSA-N 2 2 223.320 0.833 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662029884 411946304 /nfs/dbraw/zinc/94/63/04/411946304.db2.gz CMJHDUKRTXKOPM-NEPJUHHUSA-N 2 2 235.331 0.931 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662029884 411946306 /nfs/dbraw/zinc/94/63/06/411946306.db2.gz CMJHDUKRTXKOPM-NEPJUHHUSA-N 2 2 235.331 0.931 20 0 BCADLP Cn1c[nH+]cc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662038815 411955228 /nfs/dbraw/zinc/95/52/28/411955228.db2.gz TXJOLOGUZJGHHP-MNOVXSKESA-N 2 2 221.304 0.888 20 0 BCADLP Cn1c[nH+]cc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662038815 411955230 /nfs/dbraw/zinc/95/52/30/411955230.db2.gz TXJOLOGUZJGHHP-MNOVXSKESA-N 2 2 221.304 0.888 20 0 BCADLP Nc1ccc(NC(=O)[C@H]([NH3+])C2CCC2)c[nH+]1 ZINC000422545718 411956531 /nfs/dbraw/zinc/95/65/31/411956531.db2.gz XOGDEEHWQVWSPN-SNVBAGLBSA-N 2 2 220.276 0.730 20 0 BCADLP Nc1ccc(NC(=O)CCC2C[NH2+]C2)c[nH+]1 ZINC000637828758 411957061 /nfs/dbraw/zinc/95/70/61/411957061.db2.gz GWZZZYHCQIIHNJ-UHFFFAOYSA-N 2 2 220.276 0.602 20 0 BCADLP Nc1ccc(NC(=O)C2([NH3+])CCC2)c[nH+]1 ZINC000576636740 411957596 /nfs/dbraw/zinc/95/75/96/411957596.db2.gz GRVCDCHQFHTIMT-UHFFFAOYSA-N 2 2 206.249 0.484 20 0 BCADLP Nc1ccc(NC(=O)C2=CC[C@H]([NH3+])C2)c[nH+]1 ZINC000637829240 411958397 /nfs/dbraw/zinc/95/83/97/411958397.db2.gz ZQOZQRTZZTWDHG-QMMMGPOBSA-N 2 2 218.260 0.650 20 0 BCADLP Nc1ccc(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)c[nH+]1 ZINC000372430929 411958834 /nfs/dbraw/zinc/95/88/34/411958834.db2.gz IYZRIFQBKXCMON-SKDRFNHKSA-N 2 2 232.287 0.602 20 0 BCADLP Nc1ncc(C[NH2+]C[C@H]2C[NH2+]CCCO2)s1 ZINC000566230252 411961423 /nfs/dbraw/zinc/96/14/23/411961423.db2.gz VNCOIHUQDIIQFT-MRVPVSSYSA-N 2 2 242.348 0.193 20 0 BCADLP Cc1nc(N2CC[NH+]3CCC2CC3)nc(N)[nH+]1 ZINC000631238035 411963038 /nfs/dbraw/zinc/96/30/38/411963038.db2.gz FCNDFHPEMYGFJZ-UHFFFAOYSA-N 2 2 234.307 0.047 20 0 BCADLP Nc1ncc(C[NH2+]C[C@H]2CCCC[NH2+]2)s1 ZINC000647546656 411963317 /nfs/dbraw/zinc/96/33/17/411963317.db2.gz UTPNENQYFSNKGF-MRVPVSSYSA-N 2 2 226.349 0.957 20 0 BCADLP CN1CCC[C@@H]([N@@H+]2CCC[C@@H]([NH3+])C2)C1=O ZINC000662234081 412031782 /nfs/dbraw/zinc/03/17/82/412031782.db2.gz HXLGXODGGLCWRB-NXEZZACHSA-N 2 2 211.309 0.030 20 0 BCADLP CN1CCC[C@@H]([N@H+]2CCC[C@@H]([NH3+])C2)C1=O ZINC000662234081 412031784 /nfs/dbraw/zinc/03/17/84/412031784.db2.gz HXLGXODGGLCWRB-NXEZZACHSA-N 2 2 211.309 0.030 20 0 BCADLP CCN1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1=O ZINC000662240017 412036506 /nfs/dbraw/zinc/03/65/06/412036506.db2.gz HSOHQUSSALZWLO-SNVBAGLBSA-N 2 2 211.309 0.030 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)CCO[C@@H]1CC1(F)F ZINC000662242544 412038129 /nfs/dbraw/zinc/03/81/29/412038129.db2.gz BULCXLOIRUIPSC-HTQZYQBOSA-N 2 2 208.252 0.690 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)CCO[C@@H]1CC1(F)F ZINC000662242544 412038130 /nfs/dbraw/zinc/03/81/30/412038130.db2.gz BULCXLOIRUIPSC-HTQZYQBOSA-N 2 2 208.252 0.690 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662245003 412040773 /nfs/dbraw/zinc/04/07/73/412040773.db2.gz KUDDVUYHBQVMOI-SRVKXCTJSA-N 3 2 227.352 0.034 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662245114 412040911 /nfs/dbraw/zinc/04/09/11/412040911.db2.gz KOEIUCSQBFPCBY-NEPJUHHUSA-N 3 2 239.363 0.191 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662245002 412041011 /nfs/dbraw/zinc/04/10/11/412041011.db2.gz KUDDVUYHBQVMOI-SDDRHHMPSA-N 3 2 227.352 0.034 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662245001 412041418 /nfs/dbraw/zinc/04/14/18/412041418.db2.gz KUDDVUYHBQVMOI-QJPTWQEYSA-N 3 2 227.352 0.034 20 0 BCADLP CCc1nnc([C@@H](C)[N@@H+]2CC[C@@H](C[NH3+])C2)[nH]1 ZINC000662245134 412042069 /nfs/dbraw/zinc/04/20/69/412042069.db2.gz RQDUMKQZQDCGRA-BDAKNGLRSA-N 2 2 223.324 0.709 20 0 BCADLP CCc1nnc([C@@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)[nH]1 ZINC000662245134 412042071 /nfs/dbraw/zinc/04/20/71/412042071.db2.gz RQDUMKQZQDCGRA-BDAKNGLRSA-N 2 2 223.324 0.709 20 0 BCADLP CCCC[N@H+](CCOC)C[C@@H]1C[NH2+]CCO1 ZINC000662254936 412048819 /nfs/dbraw/zinc/04/88/19/412048819.db2.gz MXMIHXGEIYKWMP-LBPRGKRZSA-N 2 2 230.352 0.723 20 0 BCADLP CCCC[N@@H+](CCOC)C[C@@H]1C[NH2+]CCO1 ZINC000662254936 412048822 /nfs/dbraw/zinc/04/88/22/412048822.db2.gz MXMIHXGEIYKWMP-LBPRGKRZSA-N 2 2 230.352 0.723 20 0 BCADLP CC[N@H+](C[C@H]1CCOC1)C[C@H]1C[NH2+]CCO1 ZINC000662252249 412048997 /nfs/dbraw/zinc/04/89/97/412048997.db2.gz MXFOWASFEHAIOT-VXGBXAGGSA-N 2 2 228.336 0.333 20 0 BCADLP CC[N@@H+](C[C@H]1CCOC1)C[C@H]1C[NH2+]CCO1 ZINC000662252249 412048998 /nfs/dbraw/zinc/04/89/98/412048998.db2.gz MXFOWASFEHAIOT-VXGBXAGGSA-N 2 2 228.336 0.333 20 0 BCADLP COC[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662259163 412052979 /nfs/dbraw/zinc/05/29/79/412052979.db2.gz RDDJUDDNNZJFSF-QWRGUYRKSA-N 2 2 214.309 0.086 20 0 BCADLP COC[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662259163 412052981 /nfs/dbraw/zinc/05/29/81/412052981.db2.gz RDDJUDDNNZJFSF-QWRGUYRKSA-N 2 2 214.309 0.086 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000662259285 412054253 /nfs/dbraw/zinc/05/42/53/412054253.db2.gz UIDWIPAPUKWFPX-RYUDHWBXSA-N 2 2 226.320 0.087 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000662259285 412054256 /nfs/dbraw/zinc/05/42/56/412054256.db2.gz UIDWIPAPUKWFPX-RYUDHWBXSA-N 2 2 226.320 0.087 20 0 BCADLP C[N@@H+](Cc1cc[nH]n1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662263894 412056729 /nfs/dbraw/zinc/05/67/29/412056729.db2.gz QCKKIFZUUBIEOH-NSHDSACASA-N 2 2 236.319 0.363 20 0 BCADLP C[N@H+](Cc1cc[nH]n1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662263894 412056732 /nfs/dbraw/zinc/05/67/32/412056732.db2.gz QCKKIFZUUBIEOH-NSHDSACASA-N 2 2 236.319 0.363 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)CC1=CCSC1 ZINC000662265359 412057520 /nfs/dbraw/zinc/05/75/20/412057520.db2.gz XPHBYTWQWDXURT-LBPRGKRZSA-N 2 2 244.404 0.904 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CC1=CCSC1 ZINC000662265359 412057522 /nfs/dbraw/zinc/05/75/22/412057522.db2.gz XPHBYTWQWDXURT-LBPRGKRZSA-N 2 2 244.404 0.904 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CC1=CCSC1 ZINC000662265359 412057525 /nfs/dbraw/zinc/05/75/25/412057525.db2.gz XPHBYTWQWDXURT-LBPRGKRZSA-N 2 2 244.404 0.904 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CC1=CCSC1 ZINC000662265359 412057527 /nfs/dbraw/zinc/05/75/27/412057527.db2.gz XPHBYTWQWDXURT-LBPRGKRZSA-N 2 2 244.404 0.904 20 0 BCADLP CC[C@@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@H]1O ZINC000272011319 171081517 /nfs/dbraw/zinc/08/15/17/171081517.db2.gz JXQRVGDTQBPELM-VXGBXAGGSA-N 2 2 223.320 0.976 20 0 BCADLP CC[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@H]1O ZINC000272011319 171081520 /nfs/dbraw/zinc/08/15/20/171081520.db2.gz JXQRVGDTQBPELM-VXGBXAGGSA-N 2 2 223.320 0.976 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)CC[C@H]1[NH3+] ZINC000662270757 412062467 /nfs/dbraw/zinc/06/24/67/412062467.db2.gz MWJJVOMOZOFUFA-GRYCIOLGSA-N 3 2 227.352 0.034 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)CC[C@H]1[NH3+] ZINC000662270757 412062468 /nfs/dbraw/zinc/06/24/68/412062468.db2.gz MWJJVOMOZOFUFA-GRYCIOLGSA-N 3 2 227.352 0.034 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000290201213 171149234 /nfs/dbraw/zinc/14/92/34/171149234.db2.gz RIPFHSBDWARGPU-ZJUUUORDSA-N 2 2 236.319 0.424 20 0 BCADLP CC[C@@](C)([NH2+]CCn1cc[nH+]c1)C(=O)OC ZINC000293252928 171175931 /nfs/dbraw/zinc/17/59/31/171175931.db2.gz RNPUFJMHCQTTFT-LLVKDONJSA-N 2 2 225.292 0.814 20 0 BCADLP Cc1nocc1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000662281857 412072271 /nfs/dbraw/zinc/07/22/71/412072271.db2.gz QHQNMTJPOSRZKW-LLVKDONJSA-N 2 2 225.292 0.533 20 0 BCADLP Cc1nocc1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000662281857 412072276 /nfs/dbraw/zinc/07/22/76/412072276.db2.gz QHQNMTJPOSRZKW-LLVKDONJSA-N 2 2 225.292 0.533 20 0 BCADLP CC[C@H](C(=O)NCc1[nH]c[nH+]c1C)[NH+](C)C ZINC000330422442 171231218 /nfs/dbraw/zinc/23/12/18/171231218.db2.gz HNGMLJIOGSFBNA-SNVBAGLBSA-N 2 2 224.308 0.675 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)[C@@H]1CCCOC1 ZINC000662281724 412073382 /nfs/dbraw/zinc/07/33/82/412073382.db2.gz LJOSDBNKFWOVLD-QJPTWQEYSA-N 2 2 228.336 0.380 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000361936424 171242408 /nfs/dbraw/zinc/24/24/08/171242408.db2.gz FAVLSDYZIAHTAQ-GFCCVEGCSA-N 2 2 239.363 0.811 20 0 BCADLP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC([NH2+]C)CC1 ZINC000037536906 171331108 /nfs/dbraw/zinc/33/11/08/171331108.db2.gz XEUDQKLYRFKZIA-WDEREUQCSA-N 2 2 241.379 0.973 20 0 BCADLP [NH3+]CC[N@H+](CCCC1CCCC1)C[C@H](O)CO ZINC000662289159 412079137 /nfs/dbraw/zinc/07/91/37/412079137.db2.gz PHHJVOHUGZNJJO-ZDUSSCGKSA-N 2 2 244.379 0.571 20 0 BCADLP [NH3+]CC[N@@H+](CCCC1CCCC1)C[C@H](O)CO ZINC000662289159 412079138 /nfs/dbraw/zinc/07/91/38/412079138.db2.gz PHHJVOHUGZNJJO-ZDUSSCGKSA-N 2 2 244.379 0.571 20 0 BCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000036999418 171371299 /nfs/dbraw/zinc/37/12/99/171371299.db2.gz XQEVGOFTPCKMSZ-GARJFASQSA-N 2 2 238.335 0.761 20 0 BCADLP [NH3+]CC12CC(C1)C[N@@H+]2CCOC[C@@H]1CCCO1 ZINC000662304633 412089832 /nfs/dbraw/zinc/08/98/32/412089832.db2.gz SGMZATMJRTZDPM-CPCZMJQVSA-N 2 2 240.347 0.605 20 0 BCADLP [NH3+]CC12CC(C1)C[N@H+]2CCOC[C@@H]1CCCO1 ZINC000662304633 412089836 /nfs/dbraw/zinc/08/98/36/412089836.db2.gz SGMZATMJRTZDPM-CPCZMJQVSA-N 2 2 240.347 0.605 20 0 BCADLP C[C@@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)[C@H](C[NH3+])C1 ZINC000662312122 412094568 /nfs/dbraw/zinc/09/45/68/412094568.db2.gz SAVMPCPCGNQTDU-YPMHNXCESA-N 2 2 249.358 0.945 20 0 BCADLP C[C@@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)[C@H](C[NH3+])C1 ZINC000662312122 412094570 /nfs/dbraw/zinc/09/45/70/412094570.db2.gz SAVMPCPCGNQTDU-YPMHNXCESA-N 2 2 249.358 0.945 20 0 BCADLP C[NH+](C)C1(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000665105825 412096708 /nfs/dbraw/zinc/09/67/08/412096708.db2.gz FGPQFJDVHYFVGK-UHFFFAOYSA-N 2 2 236.319 0.484 20 0 BCADLP C[NH+](C)CCC[C@H]1C[N@H+](CCC[NH3+])CCO1 ZINC000662327644 412105072 /nfs/dbraw/zinc/10/50/72/412105072.db2.gz SFJSAKLXQOFUAJ-LBPRGKRZSA-N 3 2 229.368 0.378 20 0 BCADLP C[NH+](C)CCC[C@H]1C[N@@H+](CCC[NH3+])CCO1 ZINC000662327644 412105075 /nfs/dbraw/zinc/10/50/75/412105075.db2.gz SFJSAKLXQOFUAJ-LBPRGKRZSA-N 3 2 229.368 0.378 20 0 BCADLP C[N@H+](C[C@@H]1CC1(C)C)C[C@@H]1C[NH2+]CCO1 ZINC000662332559 412106190 /nfs/dbraw/zinc/10/61/90/412106190.db2.gz XACZHAOACPYSNS-QWRGUYRKSA-N 2 2 212.337 0.953 20 0 BCADLP C[N@@H+](C[C@@H]1CC1(C)C)C[C@@H]1C[NH2+]CCO1 ZINC000662332559 412106194 /nfs/dbraw/zinc/10/61/94/412106194.db2.gz XACZHAOACPYSNS-QWRGUYRKSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H](CS(C)(=O)=O)[NH2+]CC1([NH3+])CCCC1 ZINC000665247753 412192757 /nfs/dbraw/zinc/19/27/57/412192757.db2.gz JJKWFGXYHCTIOJ-VIFPVBQESA-N 2 2 234.365 0.281 20 0 BCADLP C[C@H](CCNc1cc(CO)cc[nH+]1)[NH+](C)C ZINC000641657337 412199066 /nfs/dbraw/zinc/19/90/66/412199066.db2.gz UBTGIAXSVJNURO-SNVBAGLBSA-N 2 2 223.320 1.326 20 0 BCADLP CC[C@H]([NH2+]C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000662530393 412205304 /nfs/dbraw/zinc/20/53/04/412205304.db2.gz OOUHVHOCTXDGET-QMMMGPOBSA-N 2 2 210.281 0.066 20 0 BCADLP COc1ccnc(C[NH2+][C@@H](C)C2C[NH2+]C2)c1F ZINC000665266984 412210926 /nfs/dbraw/zinc/21/09/26/412210926.db2.gz NMFICNCDODIMQE-QMMMGPOBSA-N 2 2 239.294 0.927 20 0 BCADLP Nc1ccc(NC(=O)CC2([NH3+])CC2)c[nH+]1 ZINC000662411534 412155309 /nfs/dbraw/zinc/15/53/09/412155309.db2.gz JYFVHQGRMPLHMS-UHFFFAOYSA-N 2 2 206.249 0.484 20 0 BCADLP CC(C)([NH3+])C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000346814087 412257335 /nfs/dbraw/zinc/25/73/35/412257335.db2.gz BMCKBUIPMIMWIW-UHFFFAOYSA-N 2 2 249.362 1.090 20 0 BCADLP [NH3+][C@H]1C[C@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000662659537 412259408 /nfs/dbraw/zinc/25/94/08/412259408.db2.gz NDRIGBMNFBZSTH-MGCOHNPYSA-N 2 2 222.292 0.127 20 0 BCADLP C[C@H]1C[C@@H](CNc2ccc(CO)c[nH+]2)CC[NH2+]1 ZINC000415100748 412268105 /nfs/dbraw/zinc/26/81/05/412268105.db2.gz HFJJHPVTCAAUKZ-QWRGUYRKSA-N 2 2 235.331 1.374 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)C1([NH2+]C2CC2)CCC1 ZINC000662732228 412286705 /nfs/dbraw/zinc/28/67/05/412286705.db2.gz PABIXYHDGCKWQH-UHFFFAOYSA-N 2 2 234.303 0.701 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)CC[N@@H+]1C ZINC000665277761 412220791 /nfs/dbraw/zinc/22/07/91/412220791.db2.gz KVEANKJZDYRMEA-IGJPJIBNSA-N 3 2 223.364 0.811 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)CC[N@H+]1C ZINC000665277761 412220795 /nfs/dbraw/zinc/22/07/95/412220795.db2.gz KVEANKJZDYRMEA-IGJPJIBNSA-N 3 2 223.364 0.811 20 0 BCADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665280224 412224959 /nfs/dbraw/zinc/22/49/59/412224959.db2.gz WEUURQTWAJCFHU-ZFQMDJOTSA-N 3 2 223.364 0.846 20 0 BCADLP C[NH2+]C[C@@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662584478 412228627 /nfs/dbraw/zinc/22/86/27/412228627.db2.gz BDYXSQFUZVEXNF-MRVPVSSYSA-N 2 2 210.281 0.224 20 0 BCADLP C[NH2+]C[C@@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662584478 412228630 /nfs/dbraw/zinc/22/86/30/412228630.db2.gz BDYXSQFUZVEXNF-MRVPVSSYSA-N 2 2 210.281 0.224 20 0 BCADLP C[C@H]([NH2+][C@@H]1CCC[C@H]1[NH3+])c1nccn1C ZINC000665283803 412229519 /nfs/dbraw/zinc/22/95/19/412229519.db2.gz VLRBLLNOFHQIPL-IVZWLZJFSA-N 2 2 208.309 0.951 20 0 BCADLP C[C@H](N[C@@H]1CCC[C@H]1[NH3+])c1[nH+]ccn1C ZINC000665283803 412229521 /nfs/dbraw/zinc/22/95/21/412229521.db2.gz VLRBLLNOFHQIPL-IVZWLZJFSA-N 2 2 208.309 0.951 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)CC[NH2+]C1CC1 ZINC000662586061 412230011 /nfs/dbraw/zinc/23/00/11/412230011.db2.gz OMVIBRXRMXLYRZ-UHFFFAOYSA-N 2 2 222.292 0.510 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)CC[NH2+]C1CC1 ZINC000662586061 412230014 /nfs/dbraw/zinc/23/00/14/412230014.db2.gz OMVIBRXRMXLYRZ-UHFFFAOYSA-N 2 2 222.292 0.510 20 0 BCADLP CC(C)[NH2+]CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662586631 412231043 /nfs/dbraw/zinc/23/10/43/412231043.db2.gz XLMVOOVCAXLYDY-UHFFFAOYSA-N 2 2 210.281 0.366 20 0 BCADLP CC(C)[NH2+]CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662586631 412231044 /nfs/dbraw/zinc/23/10/44/412231044.db2.gz XLMVOOVCAXLYDY-UHFFFAOYSA-N 2 2 210.281 0.366 20 0 BCADLP CC(C)[C@H](C(=O)N(C)Cc1c[nH+]c[nH]1)[C@H](C)[NH3+] ZINC000662586176 412231188 /nfs/dbraw/zinc/23/11/88/412231188.db2.gz PZFSGAHTQUMVBI-ONGXEEELSA-N 2 2 238.335 0.988 20 0 BCADLP CC(C)[C@H](C(=O)N(C)Cc1c[nH]c[nH+]1)[C@H](C)[NH3+] ZINC000662586176 412231191 /nfs/dbraw/zinc/23/11/91/412231191.db2.gz PZFSGAHTQUMVBI-ONGXEEELSA-N 2 2 238.335 0.988 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000665296325 412242967 /nfs/dbraw/zinc/24/29/67/412242967.db2.gz QYCZSSPQHOLLDN-AXFHLTTASA-N 2 2 248.392 0.540 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cn(C)nc1C ZINC000665295379 412243457 /nfs/dbraw/zinc/24/34/57/412243457.db2.gz COVAONCVSRBPAO-RKDXNWHRSA-N 2 2 210.325 0.987 20 0 BCADLP C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000665299533 412247536 /nfs/dbraw/zinc/24/75/36/412247536.db2.gz OUDMPECMMUYSCS-AEJSXWLSSA-N 2 2 234.365 0.150 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCOCCF ZINC000665298889 412248100 /nfs/dbraw/zinc/24/81/00/412248100.db2.gz BUVBBIOHWFAGQD-NXEZZACHSA-N 2 2 204.289 0.560 20 0 BCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOCCF ZINC000665299238 412248427 /nfs/dbraw/zinc/24/84/27/412248427.db2.gz JBSRNMSYFDMXTA-QWRGUYRKSA-N 2 2 234.315 0.329 20 0 BCADLP CC[C@@]1(C(=O)N(C)Cc2c[nH+]c[nH]2)CCC[NH2+]1 ZINC000662838249 412316538 /nfs/dbraw/zinc/31/65/38/412316538.db2.gz FTFFUAIPTBEBLC-LBPRGKRZSA-N 2 2 236.319 0.900 20 0 BCADLP CC[C@@]1(C(=O)N(C)Cc2c[nH]c[nH+]2)CCC[NH2+]1 ZINC000662838249 412316542 /nfs/dbraw/zinc/31/65/42/412316542.db2.gz FTFFUAIPTBEBLC-LBPRGKRZSA-N 2 2 236.319 0.900 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662838021 412317006 /nfs/dbraw/zinc/31/70/06/412317006.db2.gz BRBBFTXTIBLVHX-SNVBAGLBSA-N 2 2 236.319 0.756 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662838021 412317007 /nfs/dbraw/zinc/31/70/07/412317007.db2.gz BRBBFTXTIBLVHX-SNVBAGLBSA-N 2 2 236.319 0.756 20 0 BCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000662839737 412318243 /nfs/dbraw/zinc/31/82/43/412318243.db2.gz WMJXKQZXWUQIHZ-MWLCHTKSSA-N 2 2 236.319 0.756 20 0 BCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000662839737 412318245 /nfs/dbraw/zinc/31/82/45/412318245.db2.gz WMJXKQZXWUQIHZ-MWLCHTKSSA-N 2 2 236.319 0.756 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H]1CCC[NH2+]1 ZINC000662899619 412339579 /nfs/dbraw/zinc/33/95/79/412339579.db2.gz GYUNBEVLYKTXMR-NXEZZACHSA-N 2 2 236.319 0.832 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)CC1([NH3+])CC1 ZINC000662903211 412340876 /nfs/dbraw/zinc/34/08/76/412340876.db2.gz XHPIWOGDCTYOQA-SECBINFHSA-N 2 2 236.319 0.962 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1CC2(CCC2)C1 ZINC000662905894 412341006 /nfs/dbraw/zinc/34/10/06/412341006.db2.gz HJXMCIIVNLRESX-LLVKDONJSA-N 2 2 239.363 0.714 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@]1(C)CC1(C)C ZINC000662917727 412344525 /nfs/dbraw/zinc/34/45/25/412344525.db2.gz XDEBPNCVAKFASI-BXKDBHETSA-N 2 2 227.352 0.570 20 0 BCADLP C[C@H](NC(=O)CCC[NH3+])c1[nH+]ccn1C ZINC000662932416 412347748 /nfs/dbraw/zinc/34/77/48/412347748.db2.gz ADGLKTVOMOLNHO-QMMMGPOBSA-N 2 2 210.281 0.336 20 0 BCADLP C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)c1[nH+]ccn1C ZINC000662935759 412349148 /nfs/dbraw/zinc/34/91/48/412349148.db2.gz ZCSPVNKDHADNKI-VHSXEESVSA-N 2 2 236.319 0.739 20 0 BCADLP CC(C)[NH2+]CC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662933990 412349909 /nfs/dbraw/zinc/34/99/09/412349909.db2.gz LHXJWHKKMWQINP-VIFPVBQESA-N 2 2 224.308 0.595 20 0 BCADLP CC[C@H]([NH2+]C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662935775 412350113 /nfs/dbraw/zinc/35/01/13/412350113.db2.gz ZGWWJXUPCULHDT-IUCAKERBSA-N 2 2 224.308 0.595 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1CC(C)(C)C1 ZINC000662947246 412350596 /nfs/dbraw/zinc/35/05/96/412350596.db2.gz LNCKYSSAXTUMBO-SNVBAGLBSA-N 2 2 227.352 0.570 20 0 BCADLP C[NH2+]CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000420153322 412291093 /nfs/dbraw/zinc/29/10/93/412291093.db2.gz GJDGICMQUPHAML-UHFFFAOYSA-N 2 2 206.293 1.294 20 0 BCADLP CC[C@H]([NH2+]C)C(=O)NCc1[nH]c[nH+]c1C ZINC000662753764 412291891 /nfs/dbraw/zinc/29/18/91/412291891.db2.gz WWRFUDSLBXZSKE-QMMMGPOBSA-N 2 2 210.281 0.332 20 0 BCADLP Cn1cc[nH+]c1[C@H]1N(C(=O)CC[NH3+])CC1(C)C ZINC000662760503 412292907 /nfs/dbraw/zinc/29/29/07/412292907.db2.gz WRKHOKPWJLGXQU-SNVBAGLBSA-N 2 2 236.319 0.678 20 0 BCADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[NH3+])ccn12 ZINC000662775871 412298872 /nfs/dbraw/zinc/29/88/72/412298872.db2.gz ZFZYJLZMJMSVAZ-QMMMGPOBSA-N 2 2 232.287 0.720 20 0 BCADLP CC(C)([NH3+])c1cc(C(=O)NCc2c[nH+]c[nH]2)on1 ZINC000662793479 412304889 /nfs/dbraw/zinc/30/48/89/412304889.db2.gz XBHVGRRITMVYEN-UHFFFAOYSA-N 2 2 249.274 0.522 20 0 BCADLP CC(C)([NH3+])c1cc(C(=O)NCc2c[nH]c[nH+]2)on1 ZINC000662793479 412304893 /nfs/dbraw/zinc/30/48/93/412304893.db2.gz XBHVGRRITMVYEN-UHFFFAOYSA-N 2 2 249.274 0.522 20 0 BCADLP Cn1cc[nH+]c1[C@H]1N(C(=O)C[NH3+])CC1(C)C ZINC000663023151 412374067 /nfs/dbraw/zinc/37/40/67/412374067.db2.gz RZDRLPSNCBQXLR-SECBINFHSA-N 2 2 222.292 0.288 20 0 BCADLP CCn1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cn1 ZINC000228725572 172172601 /nfs/dbraw/zinc/17/26/01/172172601.db2.gz RAYKBQWUEDSURK-GFCCVEGCSA-N 2 2 240.351 0.305 20 0 BCADLP CCn1ccnc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000054743842 172220328 /nfs/dbraw/zinc/22/03/28/172220328.db2.gz PXPFTGZTRPPWFI-SNVBAGLBSA-N 2 2 208.309 0.684 20 0 BCADLP CCn1ccnc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000054743842 172220330 /nfs/dbraw/zinc/22/03/30/172220330.db2.gz PXPFTGZTRPPWFI-SNVBAGLBSA-N 2 2 208.309 0.684 20 0 BCADLP CCn1cc[nH+]c1CNCCC[NH+](C)C ZINC000022861969 172224547 /nfs/dbraw/zinc/22/45/47/172224547.db2.gz JEVLOKKACDAYIW-UHFFFAOYSA-N 2 2 210.325 0.944 20 0 BCADLP CCn1ccnc1C[NH2+]CCC[NH+](C)C ZINC000022861969 172224549 /nfs/dbraw/zinc/22/45/49/172224549.db2.gz JEVLOKKACDAYIW-UHFFFAOYSA-N 2 2 210.325 0.944 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918059 172365083 /nfs/dbraw/zinc/36/50/83/172365083.db2.gz RIQMOKVIUUYOGK-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP CN(C)C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918059 172365084 /nfs/dbraw/zinc/36/50/84/172365084.db2.gz RIQMOKVIUUYOGK-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP C[NH+](C)C/C=C/C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371447934 172399430 /nfs/dbraw/zinc/39/94/30/172399430.db2.gz PCWSMOGTXQGONE-FSIBCCDJSA-N 2 2 248.330 0.501 20 0 BCADLP C[NH+](C)CC=CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371447934 172399432 /nfs/dbraw/zinc/39/94/32/172399432.db2.gz PCWSMOGTXQGONE-FSIBCCDJSA-N 2 2 248.330 0.501 20 0 BCADLP C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000044564440 173003912 /nfs/dbraw/zinc/00/39/12/173003912.db2.gz AIRYXXIIXHUMNI-ZJUUUORDSA-N 2 2 243.376 0.249 20 0 BCADLP C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000044564440 173003914 /nfs/dbraw/zinc/00/39/14/173003914.db2.gz AIRYXXIIXHUMNI-ZJUUUORDSA-N 2 2 243.376 0.249 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000218141048 173032815 /nfs/dbraw/zinc/03/28/15/173032815.db2.gz SHEQMXWFDITMHU-CYBMUJFWSA-N 2 2 247.342 0.969 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000218141048 173032817 /nfs/dbraw/zinc/03/28/17/173032817.db2.gz SHEQMXWFDITMHU-CYBMUJFWSA-N 2 2 247.342 0.969 20 0 BCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC(O)(C2CC2)C1 ZINC000375711297 173049711 /nfs/dbraw/zinc/04/97/11/173049711.db2.gz LSLNTNYFLHTGAR-LBPRGKRZSA-N 2 2 224.348 0.927 20 0 BCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC(O)(C2CC2)C1 ZINC000375711297 173049713 /nfs/dbraw/zinc/04/97/13/173049713.db2.gz LSLNTNYFLHTGAR-LBPRGKRZSA-N 2 2 224.348 0.927 20 0 BCADLP Cn1nncc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000362637497 173059404 /nfs/dbraw/zinc/05/94/04/173059404.db2.gz GBYBYJINFSHWMD-AAEUAGOBSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1nncc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000362637497 173059406 /nfs/dbraw/zinc/05/94/06/173059406.db2.gz GBYBYJINFSHWMD-AAEUAGOBSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1nncc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000362637497 173059408 /nfs/dbraw/zinc/05/94/08/173059408.db2.gz GBYBYJINFSHWMD-AAEUAGOBSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1nncc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000362637497 173059410 /nfs/dbraw/zinc/05/94/10/173059410.db2.gz GBYBYJINFSHWMD-AAEUAGOBSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000377883970 173059553 /nfs/dbraw/zinc/05/95/53/173059553.db2.gz LWRIBVKRDHZMKJ-AAEUAGOBSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000377883970 173059556 /nfs/dbraw/zinc/05/95/56/173059556.db2.gz LWRIBVKRDHZMKJ-AAEUAGOBSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000377883970 173059557 /nfs/dbraw/zinc/05/95/57/173059557.db2.gz LWRIBVKRDHZMKJ-AAEUAGOBSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000377883970 173059560 /nfs/dbraw/zinc/05/95/60/173059560.db2.gz LWRIBVKRDHZMKJ-AAEUAGOBSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1nncc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339436384 173062411 /nfs/dbraw/zinc/06/24/11/173062411.db2.gz BGJBPGUXWHDJSA-ZDUSSCGKSA-N 2 2 249.362 0.733 20 0 BCADLP Cn1nncc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339436384 173062413 /nfs/dbraw/zinc/06/24/13/173062413.db2.gz BGJBPGUXWHDJSA-ZDUSSCGKSA-N 2 2 249.362 0.733 20 0 BCADLP Cn1nncc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339436384 173062417 /nfs/dbraw/zinc/06/24/17/173062417.db2.gz BGJBPGUXWHDJSA-ZDUSSCGKSA-N 2 2 249.362 0.733 20 0 BCADLP Cn1nncc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339436384 173062419 /nfs/dbraw/zinc/06/24/19/173062419.db2.gz BGJBPGUXWHDJSA-ZDUSSCGKSA-N 2 2 249.362 0.733 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]CC(C)(C)C ZINC000082668939 173074952 /nfs/dbraw/zinc/07/49/52/173074952.db2.gz HUKAJWOCUIYWJB-LLVKDONJSA-N 2 2 213.369 0.868 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]CC(C)(C)C ZINC000082668939 173074953 /nfs/dbraw/zinc/07/49/53/173074953.db2.gz HUKAJWOCUIYWJB-LLVKDONJSA-N 2 2 213.369 0.868 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1cccc(O)c1 ZINC000225329377 173075189 /nfs/dbraw/zinc/07/51/89/173075189.db2.gz NQHQUZWLRJOYFD-ZDUSSCGKSA-N 2 2 249.358 0.728 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1cccc(O)c1 ZINC000225329377 173075192 /nfs/dbraw/zinc/07/51/92/173075192.db2.gz NQHQUZWLRJOYFD-ZDUSSCGKSA-N 2 2 249.358 0.728 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1cc[nH]c1 ZINC000080774083 173075611 /nfs/dbraw/zinc/07/56/11/173075611.db2.gz DJSWAHOFNISWDM-GFCCVEGCSA-N 2 2 222.336 0.350 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1cc[nH]c1 ZINC000080774083 173075614 /nfs/dbraw/zinc/07/56/14/173075614.db2.gz DJSWAHOFNISWDM-GFCCVEGCSA-N 2 2 222.336 0.350 20 0 BCADLP Cn1nncc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366537043 173141763 /nfs/dbraw/zinc/14/17/63/173141763.db2.gz UWXUWZNRXMQPKO-GFCCVEGCSA-N 2 2 235.335 0.343 20 0 BCADLP Cn1nncc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366537043 173141766 /nfs/dbraw/zinc/14/17/66/173141766.db2.gz UWXUWZNRXMQPKO-GFCCVEGCSA-N 2 2 235.335 0.343 20 0 BCADLP Cn1nncc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366537043 173141767 /nfs/dbraw/zinc/14/17/67/173141767.db2.gz UWXUWZNRXMQPKO-GFCCVEGCSA-N 2 2 235.335 0.343 20 0 BCADLP Cn1nncc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366537043 173141770 /nfs/dbraw/zinc/14/17/70/173141770.db2.gz UWXUWZNRXMQPKO-GFCCVEGCSA-N 2 2 235.335 0.343 20 0 BCADLP Cn1cnnc1C[NH2+][C@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367623248 173155115 /nfs/dbraw/zinc/15/51/15/173155115.db2.gz VJAFCCHPECNZSR-GRYCIOLGSA-N 2 2 249.362 0.778 20 0 BCADLP Cn1cnnc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367623248 173155117 /nfs/dbraw/zinc/15/51/17/173155117.db2.gz VJAFCCHPECNZSR-GRYCIOLGSA-N 2 2 249.362 0.778 20 0 BCADLP C[N@@H+]1CC[C@H]2CC[NH+](CCOCCO)[C@@H]2C1 ZINC000370532531 173160214 /nfs/dbraw/zinc/16/02/14/173160214.db2.gz BBKJSAVPYOIXJH-NWDGAFQWSA-N 2 2 228.336 0.021 20 0 BCADLP C[N@H+]1CC[C@H]2CC[NH+](CCOCCO)[C@@H]2C1 ZINC000370532531 173160215 /nfs/dbraw/zinc/16/02/15/173160215.db2.gz BBKJSAVPYOIXJH-NWDGAFQWSA-N 2 2 228.336 0.021 20 0 BCADLP C[NH+]1CC[C@H]2CC[N@H+](CCOCCO)[C@@H]2C1 ZINC000370532531 173160217 /nfs/dbraw/zinc/16/02/17/173160217.db2.gz BBKJSAVPYOIXJH-NWDGAFQWSA-N 2 2 228.336 0.021 20 0 BCADLP C[NH+]1CC[C@H]2CC[N@@H+](CCOCCO)[C@@H]2C1 ZINC000370532531 173160219 /nfs/dbraw/zinc/16/02/19/173160219.db2.gz BBKJSAVPYOIXJH-NWDGAFQWSA-N 2 2 228.336 0.021 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000370149854 173160639 /nfs/dbraw/zinc/16/06/39/173160639.db2.gz IMTPMGPGQDLNJI-AAEUAGOBSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000370149854 173160641 /nfs/dbraw/zinc/16/06/41/173160641.db2.gz IMTPMGPGQDLNJI-AAEUAGOBSA-N 2 2 234.347 0.946 20 0 BCADLP C[N@H+]1C[C@H]2CN(C(=O)C=Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC000282839145 173196725 /nfs/dbraw/zinc/19/67/25/173196725.db2.gz RIIRQJRKUDYONG-GOYQAJIHSA-N 2 2 246.314 0.443 20 0 BCADLP C[N@@H+]1C[C@H]2CN(C(=O)C=Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC000282839145 173196727 /nfs/dbraw/zinc/19/67/27/173196727.db2.gz RIIRQJRKUDYONG-GOYQAJIHSA-N 2 2 246.314 0.443 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000365873026 173198531 /nfs/dbraw/zinc/19/85/31/173198531.db2.gz LJPGXPLSAJBELA-HZSPNIEDSA-N 3 2 237.391 0.964 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000365873026 173198533 /nfs/dbraw/zinc/19/85/33/173198533.db2.gz LJPGXPLSAJBELA-HZSPNIEDSA-N 3 2 237.391 0.964 20 0 BCADLP C[NH+]1C[C@@H]2C[N@@H+](CC[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC000365873026 173198534 /nfs/dbraw/zinc/19/85/34/173198534.db2.gz LJPGXPLSAJBELA-HZSPNIEDSA-N 3 2 237.391 0.964 20 0 BCADLP C[NH+]1C[C@@H]2C[N@H+](CC[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC000365873026 173198535 /nfs/dbraw/zinc/19/85/35/173198535.db2.gz LJPGXPLSAJBELA-HZSPNIEDSA-N 3 2 237.391 0.964 20 0 BCADLP CNC(=O)CCC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336748134 173242122 /nfs/dbraw/zinc/24/21/22/173242122.db2.gz CKSUVOBAYDIFKP-VHSXEESVSA-N 2 2 213.325 0.052 20 0 BCADLP CNC(=O)CCC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336748134 173242125 /nfs/dbraw/zinc/24/21/25/173242125.db2.gz CKSUVOBAYDIFKP-VHSXEESVSA-N 2 2 213.325 0.052 20 0 BCADLP CNC(=O)CCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336748131 173244026 /nfs/dbraw/zinc/24/40/26/173244026.db2.gz CKSUVOBAYDIFKP-UWVGGRQHSA-N 2 2 213.325 0.052 20 0 BCADLP CNC(=O)CCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336748131 173244027 /nfs/dbraw/zinc/24/40/27/173244027.db2.gz CKSUVOBAYDIFKP-UWVGGRQHSA-N 2 2 213.325 0.052 20 0 BCADLP CNC(=O)CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000181091782 173247826 /nfs/dbraw/zinc/24/78/26/173247826.db2.gz XDVXMXHKNMWPPL-UHFFFAOYSA-N 2 2 224.308 0.341 20 0 BCADLP CNC(=O)CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181091782 173247827 /nfs/dbraw/zinc/24/78/27/173247827.db2.gz XDVXMXHKNMWPPL-UHFFFAOYSA-N 2 2 224.308 0.341 20 0 BCADLP CNC(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337284336 173266954 /nfs/dbraw/zinc/26/69/54/173266954.db2.gz YWCZCKJHCIMBHS-UHFFFAOYSA-N 2 2 213.325 0.150 20 0 BCADLP CNC(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337284336 173266955 /nfs/dbraw/zinc/26/69/55/173266955.db2.gz YWCZCKJHCIMBHS-UHFFFAOYSA-N 2 2 213.325 0.150 20 0 BCADLP CNC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373115902 173273750 /nfs/dbraw/zinc/27/37/50/173273750.db2.gz PJYOYYKFZCWHPZ-SNVBAGLBSA-N 2 2 236.319 0.346 20 0 BCADLP CNC(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373115902 173273751 /nfs/dbraw/zinc/27/37/51/173273751.db2.gz PJYOYYKFZCWHPZ-SNVBAGLBSA-N 2 2 236.319 0.346 20 0 BCADLP CNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000355339907 173274861 /nfs/dbraw/zinc/27/48/61/173274861.db2.gz ITPGKNDNVKERLE-GFCCVEGCSA-N 2 2 239.363 0.396 20 0 BCADLP CNC(=O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000355339907 173274862 /nfs/dbraw/zinc/27/48/62/173274862.db2.gz ITPGKNDNVKERLE-GFCCVEGCSA-N 2 2 239.363 0.396 20 0 BCADLP CNC(=O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000355339907 173274863 /nfs/dbraw/zinc/27/48/63/173274863.db2.gz ITPGKNDNVKERLE-GFCCVEGCSA-N 2 2 239.363 0.396 20 0 BCADLP CNC(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000355339907 173274864 /nfs/dbraw/zinc/27/48/64/173274864.db2.gz ITPGKNDNVKERLE-GFCCVEGCSA-N 2 2 239.363 0.396 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]CC(C)(C)[NH+](C)C ZINC000309169131 173280195 /nfs/dbraw/zinc/28/01/95/173280195.db2.gz KNBYXXJZWAYHHP-SECBINFHSA-N 2 2 215.341 0.441 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]CC[N@H+](C)CCCOC ZINC000341954229 173280474 /nfs/dbraw/zinc/28/04/74/173280474.db2.gz AZDQYVBXHBPKJH-LLVKDONJSA-N 2 2 245.367 0.069 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]CC[N@@H+](C)CCCOC ZINC000341954229 173280475 /nfs/dbraw/zinc/28/04/75/173280475.db2.gz AZDQYVBXHBPKJH-LLVKDONJSA-N 2 2 245.367 0.069 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC000356543878 173280552 /nfs/dbraw/zinc/28/05/52/173280552.db2.gz CSFFMBMMOFSOTR-GFCCVEGCSA-N 2 2 241.379 0.977 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]CC[N@H+](C)CCCOC ZINC000341954248 173281980 /nfs/dbraw/zinc/28/19/80/173281980.db2.gz AZDQYVBXHBPKJH-NSHDSACASA-N 2 2 245.367 0.069 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]CC[N@@H+](C)CCCOC ZINC000341954248 173281981 /nfs/dbraw/zinc/28/19/81/173281981.db2.gz AZDQYVBXHBPKJH-NSHDSACASA-N 2 2 245.367 0.069 20 0 BCADLP CNC(=O)[C@@H]([NH2+]Cc1c[nH+]c[nH]1)C(C)C ZINC000125021823 173296928 /nfs/dbraw/zinc/29/69/28/173296928.db2.gz WAHQDIMISSGRQB-VIFPVBQESA-N 2 2 210.281 0.270 20 0 BCADLP C[NH2+]C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000335622364 173322999 /nfs/dbraw/zinc/32/29/99/173322999.db2.gz ASHXYMUEXPPADD-LLVKDONJSA-N 3 2 211.353 0.670 20 0 BCADLP C[NH2+]C1CCN(Cc2[nH+]ccn2C)CC1 ZINC000070853623 173323336 /nfs/dbraw/zinc/32/33/36/173323336.db2.gz FPRNSHLQEQLFNI-UHFFFAOYSA-N 2 2 208.309 0.604 20 0 BCADLP C[NH2+]C1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC000037469308 173324180 /nfs/dbraw/zinc/32/41/80/173324180.db2.gz MPWUDQSLMKQXLC-SECBINFHSA-N 2 2 213.325 0.147 20 0 BCADLP C[NH2+]C1CC[NH+]([C@@H](C)C(=O)NCC(C)C)CC1 ZINC000037536890 173324238 /nfs/dbraw/zinc/32/42/38/173324238.db2.gz ZEFIXXINWBTRDG-NSHDSACASA-N 2 2 241.379 0.831 20 0 BCADLP C[NH2+]CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C ZINC000124972725 173345668 /nfs/dbraw/zinc/34/56/68/173345668.db2.gz PZQYXFKLSOMQKJ-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP C[NH2+]CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C ZINC000124972725 173345669 /nfs/dbraw/zinc/34/56/69/173345669.db2.gz PZQYXFKLSOMQKJ-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP C[NH2+]CCC[N@H+](C)CC(=O)N1CCC[C@H](C)C1 ZINC000121972944 173346235 /nfs/dbraw/zinc/34/62/35/173346235.db2.gz IMQMIGSQAFOSGD-LBPRGKRZSA-N 2 2 241.379 0.786 20 0 BCADLP C[NH2+]CCC[N@@H+](C)CC(=O)N1CCC[C@H](C)C1 ZINC000121972944 173346236 /nfs/dbraw/zinc/34/62/36/173346236.db2.gz IMQMIGSQAFOSGD-LBPRGKRZSA-N 2 2 241.379 0.786 20 0 BCADLP C[NH2+]CC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000161243240 173355695 /nfs/dbraw/zinc/35/56/95/173355695.db2.gz GIZXLTRYHRPYTC-UHFFFAOYSA-N 2 2 222.288 0.767 20 0 BCADLP C[NH2+]C[C@@H](C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000262680102 173363520 /nfs/dbraw/zinc/36/35/20/173363520.db2.gz WSAGMYAGYGNUBO-SNVBAGLBSA-N 2 2 246.314 0.806 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC000040601220 173367962 /nfs/dbraw/zinc/36/79/62/173367962.db2.gz PLNFAOPHERBXHB-JTQLQIEISA-N 2 2 213.325 0.006 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC000040601220 173367964 /nfs/dbraw/zinc/36/79/64/173367964.db2.gz PLNFAOPHERBXHB-JTQLQIEISA-N 2 2 213.325 0.006 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCc1cnn(C)c1 ZINC000226428432 173369012 /nfs/dbraw/zinc/36/90/12/173369012.db2.gz DMHDMGYIQGHOSO-LBPRGKRZSA-N 2 2 222.336 0.646 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCc1cnn(C)c1 ZINC000226428432 173369013 /nfs/dbraw/zinc/36/90/13/173369013.db2.gz DMHDMGYIQGHOSO-LBPRGKRZSA-N 2 2 222.336 0.646 20 0 BCADLP C[NH2+]C[C@H](C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000262680101 173374931 /nfs/dbraw/zinc/37/49/31/173374931.db2.gz WSAGMYAGYGNUBO-JTQLQIEISA-N 2 2 246.314 0.806 20 0 BCADLP C[NH2+]C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC000122579066 173379877 /nfs/dbraw/zinc/37/98/77/173379877.db2.gz SSVYPASQPVHYEJ-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N[C@@H](C)C(C)C)C1 ZINC000071147474 173380973 /nfs/dbraw/zinc/38/09/73/173380973.db2.gz RQGXULMLOUEPOI-NWDGAFQWSA-N 2 2 241.379 0.688 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)C(C)C)C1 ZINC000071147474 173380975 /nfs/dbraw/zinc/38/09/75/173380975.db2.gz RQGXULMLOUEPOI-NWDGAFQWSA-N 2 2 241.379 0.688 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCC(C)C)C1 ZINC000070799870 173380999 /nfs/dbraw/zinc/38/09/99/173380999.db2.gz KDKOGRPGYXMYRP-LLVKDONJSA-N 2 2 227.352 0.300 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCC(C)C)C1 ZINC000070799870 173381000 /nfs/dbraw/zinc/38/10/00/173381000.db2.gz KDKOGRPGYXMYRP-LLVKDONJSA-N 2 2 227.352 0.300 20 0 BCADLP COC1(C[NH2+]C[C@@H](C)[NH+](C)C)CCOCC1 ZINC000336770197 174002149 /nfs/dbraw/zinc/00/21/49/174002149.db2.gz SVLPXPMMECZHJU-LLVKDONJSA-N 2 2 230.352 0.722 20 0 BCADLP COCCCOCC[N@H+](C)CC(C)(C)[NH3+] ZINC000336722753 174254149 /nfs/dbraw/zinc/25/41/49/174254149.db2.gz AVICZQRPDZUGEG-UHFFFAOYSA-N 2 2 218.341 0.709 20 0 BCADLP COCCCOCC[N@@H+](C)CC(C)(C)[NH3+] ZINC000336722753 174254150 /nfs/dbraw/zinc/25/41/50/174254150.db2.gz AVICZQRPDZUGEG-UHFFFAOYSA-N 2 2 218.341 0.709 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000356874530 174277199 /nfs/dbraw/zinc/27/71/99/174277199.db2.gz QLOPRQQDONDPFH-QWHCGFSZSA-N 2 2 244.379 0.969 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000356874530 174277200 /nfs/dbraw/zinc/27/72/00/174277200.db2.gz QLOPRQQDONDPFH-QWHCGFSZSA-N 2 2 244.379 0.969 20 0 BCADLP COCC[NH+](CCOC)C[C@H]1CCC[NH2+]1 ZINC000042442980 174296253 /nfs/dbraw/zinc/29/62/53/174296253.db2.gz RERZJODWSCBKQM-LLVKDONJSA-N 2 2 216.325 0.333 20 0 BCADLP COCC[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000336722837 174298085 /nfs/dbraw/zinc/29/80/85/174298085.db2.gz TWCZIAYUKALNMB-CYBMUJFWSA-N 2 2 242.363 0.552 20 0 BCADLP COCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000336722837 174298086 /nfs/dbraw/zinc/29/80/86/174298086.db2.gz TWCZIAYUKALNMB-CYBMUJFWSA-N 2 2 242.363 0.552 20 0 BCADLP COCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000336722837 174298088 /nfs/dbraw/zinc/29/80/88/174298088.db2.gz TWCZIAYUKALNMB-CYBMUJFWSA-N 2 2 242.363 0.552 20 0 BCADLP COCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000336722837 174298089 /nfs/dbraw/zinc/29/80/89/174298089.db2.gz TWCZIAYUKALNMB-CYBMUJFWSA-N 2 2 242.363 0.552 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCC[C@@H](C)O)C1 ZINC000336673065 174312793 /nfs/dbraw/zinc/31/27/93/174312793.db2.gz AIHFSOGHKWYXPQ-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCC[C@@H](C)O)C1 ZINC000336673065 174312795 /nfs/dbraw/zinc/31/27/95/174312795.db2.gz AIHFSOGHKWYXPQ-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C[C@H](C)O)C1 ZINC000336779154 174314163 /nfs/dbraw/zinc/31/41/63/174314163.db2.gz NICYHHGXKCINQZ-SRVKXCTJSA-N 2 2 230.352 0.456 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C[C@H](C)O)C1 ZINC000336779154 174314165 /nfs/dbraw/zinc/31/41/65/174314165.db2.gz NICYHHGXKCINQZ-SRVKXCTJSA-N 2 2 230.352 0.456 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCCCO)C1 ZINC000336753956 174314761 /nfs/dbraw/zinc/31/47/61/174314761.db2.gz HDVDTTWVYXMBQJ-NSHDSACASA-N 2 2 216.325 0.069 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+]CCCCO)C1 ZINC000336753956 174314763 /nfs/dbraw/zinc/31/47/63/174314763.db2.gz HDVDTTWVYXMBQJ-NSHDSACASA-N 2 2 216.325 0.069 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC000336673060 174314938 /nfs/dbraw/zinc/31/49/38/174314938.db2.gz AIHFSOGHKWYXPQ-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC000336673060 174314939 /nfs/dbraw/zinc/31/49/39/174314939.db2.gz AIHFSOGHKWYXPQ-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCC[C@H](C)CO)C1 ZINC000336903943 174315305 /nfs/dbraw/zinc/31/53/05/174315305.db2.gz VQLHJGFUXKAEGL-STQMWFEESA-N 2 2 244.379 0.705 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+]CCC[C@H](C)CO)C1 ZINC000336903943 174315306 /nfs/dbraw/zinc/31/53/06/174315306.db2.gz VQLHJGFUXKAEGL-STQMWFEESA-N 2 2 244.379 0.705 20 0 BCADLP COCC[N@H+]1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC000266422635 174316242 /nfs/dbraw/zinc/31/62/42/174316242.db2.gz SFBQTTSKZNCORB-NSHDSACASA-N 2 2 236.319 0.918 20 0 BCADLP COCC[NH2+]CC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000053388747 174333341 /nfs/dbraw/zinc/33/33/41/174333341.db2.gz REFRDRBHLUBMIR-QWRGUYRKSA-N 2 2 216.325 0.380 20 0 BCADLP COCCOCC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000070531753 174353342 /nfs/dbraw/zinc/35/33/42/174353342.db2.gz OFEJASHPWGLVTR-LLVKDONJSA-N 2 2 216.325 0.463 20 0 BCADLP COCCOCC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000070531753 174353343 /nfs/dbraw/zinc/35/33/43/174353343.db2.gz OFEJASHPWGLVTR-LLVKDONJSA-N 2 2 216.325 0.463 20 0 BCADLP COCCO[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000189709708 174366637 /nfs/dbraw/zinc/36/66/37/174366637.db2.gz HLAFLYDVSKRPEQ-LBPRGKRZSA-N 2 2 239.319 0.620 20 0 BCADLP COCCO[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000189709708 174366638 /nfs/dbraw/zinc/36/66/38/174366638.db2.gz HLAFLYDVSKRPEQ-LBPRGKRZSA-N 2 2 239.319 0.620 20 0 BCADLP Cn1c[nH+]cc1Cn1cc(CCCC[NH3+])nn1 ZINC000228373306 487629622 /nfs/dbraw/zinc/62/96/22/487629622.db2.gz MHOOZHGAQHTEPS-UHFFFAOYSA-N 2 2 234.307 0.341 20 0 BCADLP COc1cc[nH+]cc1NC(=O)[C@@H](C[NH3+])OC ZINC000353423825 175375251 /nfs/dbraw/zinc/37/52/51/175375251.db2.gz DQPDPSVNETYSRE-SECBINFHSA-N 2 2 225.248 0.002 20 0 BCADLP C[C@@H]([NH3+])CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000178642448 175804896 /nfs/dbraw/zinc/80/48/96/175804896.db2.gz AMMWFJMBKOXDMI-SECBINFHSA-N 2 2 232.287 0.801 20 0 BCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C[NH3+])CC1 ZINC000082254673 176030138 /nfs/dbraw/zinc/03/01/38/176030138.db2.gz VGLVRMPFXWQYSI-NSHDSACASA-N 2 2 248.330 0.246 20 0 BCADLP C[C@@H](c1nnnn1C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000189785053 176041077 /nfs/dbraw/zinc/04/10/77/176041077.db2.gz JTZZNJQTMBJVRM-JTQLQIEISA-N 2 2 249.322 0.490 20 0 BCADLP C[C@@H](c1nnnn1C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000189785053 176041078 /nfs/dbraw/zinc/04/10/78/176041078.db2.gz JTZZNJQTMBJVRM-JTQLQIEISA-N 2 2 249.322 0.490 20 0 BCADLP C[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)[C@@H]1CO ZINC000305694103 176100495 /nfs/dbraw/zinc/10/04/95/176100495.db2.gz STSFTIBUYZZOLG-VXGBXAGGSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)[C@@H]1CO ZINC000305694103 176100496 /nfs/dbraw/zinc/10/04/96/176100496.db2.gz STSFTIBUYZZOLG-VXGBXAGGSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000071207230 176149714 /nfs/dbraw/zinc/14/97/14/176149714.db2.gz VWNVPBNXPORPAU-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)[C@H]1CO ZINC000248892882 176172071 /nfs/dbraw/zinc/17/20/71/176172071.db2.gz FZONMVFZMVXDQH-MNOVXSKESA-N 2 2 209.293 0.586 20 0 BCADLP C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@H]1CO ZINC000248892882 176172073 /nfs/dbraw/zinc/17/20/73/176172073.db2.gz FZONMVFZMVXDQH-MNOVXSKESA-N 2 2 209.293 0.586 20 0 BCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)[C@H](C)C[NH2+]1 ZINC000086468217 176245900 /nfs/dbraw/zinc/24/59/00/176245900.db2.gz VYKMGGYILAQSHI-GHMZBOCLSA-N 2 2 236.319 0.482 20 0 BCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000336398433 176266473 /nfs/dbraw/zinc/26/64/73/176266473.db2.gz NUFNPQCFEAWTDQ-RKDXNWHRSA-N 2 2 247.289 0.146 20 0 BCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000336398433 176266474 /nfs/dbraw/zinc/26/64/74/176266474.db2.gz NUFNPQCFEAWTDQ-RKDXNWHRSA-N 2 2 247.289 0.146 20 0 BCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000226401369 176267393 /nfs/dbraw/zinc/26/73/93/176267393.db2.gz MBVOUCDMELLELD-YPMHNXCESA-N 2 2 247.342 0.849 20 0 BCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000226401369 176267394 /nfs/dbraw/zinc/26/73/94/176267394.db2.gz MBVOUCDMELLELD-YPMHNXCESA-N 2 2 247.342 0.849 20 0 BCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC000122720858 176269433 /nfs/dbraw/zinc/26/94/33/176269433.db2.gz GVLFYSNFAOKPCA-PWSUYJOCSA-N 2 2 222.336 0.850 20 0 BCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC000122720858 176269434 /nfs/dbraw/zinc/26/94/34/176269434.db2.gz GVLFYSNFAOKPCA-PWSUYJOCSA-N 2 2 222.336 0.850 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCSCCCO ZINC000336768394 176272685 /nfs/dbraw/zinc/27/26/85/176272685.db2.gz UPZNUWJMPIDJDN-MNOVXSKESA-N 2 2 232.393 0.642 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCSCCCO ZINC000336768394 176272686 /nfs/dbraw/zinc/27/26/86/176272686.db2.gz UPZNUWJMPIDJDN-MNOVXSKESA-N 2 2 232.393 0.642 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)OCCO ZINC000309765683 176272710 /nfs/dbraw/zinc/27/27/10/176272710.db2.gz JNSHXNDGKSLOLE-MNOVXSKESA-N 2 2 230.352 0.314 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)OCCO ZINC000309765683 176272711 /nfs/dbraw/zinc/27/27/11/176272711.db2.gz JNSHXNDGKSLOLE-MNOVXSKESA-N 2 2 230.352 0.314 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC(C)(C)O ZINC000336656057 176273029 /nfs/dbraw/zinc/27/30/29/176273029.db2.gz OFMXASAWYZIXCT-ZJUUUORDSA-N 2 2 200.326 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC(C)(C)O ZINC000336656057 176273030 /nfs/dbraw/zinc/27/30/30/176273030.db2.gz OFMXASAWYZIXCT-ZJUUUORDSA-N 2 2 200.326 0.687 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCn1cnnc1C1CC1 ZINC000358032017 176273336 /nfs/dbraw/zinc/27/33/36/176273336.db2.gz BGTXPJWATHITSQ-PWSUYJOCSA-N 2 2 249.362 0.695 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCn1cnnc1C1CC1 ZINC000358032017 176273339 /nfs/dbraw/zinc/27/33/39/176273339.db2.gz BGTXPJWATHITSQ-PWSUYJOCSA-N 2 2 249.362 0.695 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1cnn(C)c1 ZINC000336779476 176273404 /nfs/dbraw/zinc/27/34/04/176273404.db2.gz OJZQCACYKYORQG-PWSUYJOCSA-N 2 2 222.336 0.502 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1cnn(C)c1 ZINC000336779476 176273406 /nfs/dbraw/zinc/27/34/06/176273406.db2.gz OJZQCACYKYORQG-PWSUYJOCSA-N 2 2 222.336 0.502 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000309120686 176273457 /nfs/dbraw/zinc/27/34/57/176273457.db2.gz NPLMPBSKIFEULI-JLLWLGSASA-N 2 2 212.337 0.545 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000309120686 176273459 /nfs/dbraw/zinc/27/34/59/176273459.db2.gz NPLMPBSKIFEULI-JLLWLGSASA-N 2 2 212.337 0.545 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000309111667 176273531 /nfs/dbraw/zinc/27/35/31/176273531.db2.gz JXSCQCYNUYGIHM-WYUUTHIRSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000309111667 176273533 /nfs/dbraw/zinc/27/35/33/176273533.db2.gz JXSCQCYNUYGIHM-WYUUTHIRSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000309111665 176273573 /nfs/dbraw/zinc/27/35/73/176273573.db2.gz JXSCQCYNUYGIHM-KXNHARMFSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000309111665 176273574 /nfs/dbraw/zinc/27/35/74/176273574.db2.gz JXSCQCYNUYGIHM-KXNHARMFSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CCCOC1 ZINC000336748764 176273662 /nfs/dbraw/zinc/27/36/62/176273662.db2.gz DRSYNHXZNVGMIM-UTUOFQBUSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CCCOC1 ZINC000336748764 176273664 /nfs/dbraw/zinc/27/36/64/176273664.db2.gz DRSYNHXZNVGMIM-UTUOFQBUSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CC[C@@H](CO)O1 ZINC000340419544 176273703 /nfs/dbraw/zinc/27/37/03/176273703.db2.gz KAINLBGUAWVSGE-RHYQMDGZSA-N 2 2 228.336 0.066 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CC[C@@H](CO)O1 ZINC000340419544 176273704 /nfs/dbraw/zinc/27/37/04/176273704.db2.gz KAINLBGUAWVSGE-RHYQMDGZSA-N 2 2 228.336 0.066 20 0 BCADLP C[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)[C@H]1CCOC1 ZINC000336756456 176274626 /nfs/dbraw/zinc/27/46/26/176274626.db2.gz JKQCCHBYZZFHHK-WYUUTHIRSA-N 2 2 212.337 0.951 20 0 BCADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)[C@H]1CCOC1 ZINC000336756456 176274628 /nfs/dbraw/zinc/27/46/28/176274628.db2.gz JKQCCHBYZZFHHK-WYUUTHIRSA-N 2 2 212.337 0.951 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCOCC1CC1 ZINC000309094690 176276636 /nfs/dbraw/zinc/27/66/36/176276636.db2.gz CJLDGASGBAXFGE-ZYHUDNBSSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCOCC1CC1 ZINC000309094690 176276638 /nfs/dbraw/zinc/27/66/38/176276638.db2.gz CJLDGASGBAXFGE-ZYHUDNBSSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1CN(C)C[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000309136372 176276814 /nfs/dbraw/zinc/27/68/14/176276814.db2.gz SDWGEJSFNVTGNY-GHMZBOCLSA-N 2 2 208.309 0.423 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H](CO)C1CCOCC1 ZINC000360797455 176276947 /nfs/dbraw/zinc/27/69/47/176276947.db2.gz BHVDHFOISGCUNL-RAIGVLPGSA-N 2 2 242.363 0.314 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H](CO)C1CCOCC1 ZINC000360797455 176276948 /nfs/dbraw/zinc/27/69/48/176276948.db2.gz BHVDHFOISGCUNL-RAIGVLPGSA-N 2 2 242.363 0.314 20 0 BCADLP C[C@@H]1CN(C)C[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000309744145 176277419 /nfs/dbraw/zinc/27/74/19/176277419.db2.gz FCBGGTXBLRFEEC-VXGBXAGGSA-N 2 2 222.336 0.813 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000309744145 176277420 /nfs/dbraw/zinc/27/74/20/176277420.db2.gz FCBGGTXBLRFEEC-VXGBXAGGSA-N 3 2 222.336 0.813 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000309744145 176277422 /nfs/dbraw/zinc/27/74/22/176277422.db2.gz FCBGGTXBLRFEEC-VXGBXAGGSA-N 3 2 222.336 0.813 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H](O)C(F)F ZINC000308661816 176277507 /nfs/dbraw/zinc/27/75/07/176277507.db2.gz QGWQROVUXRDFKZ-BWZBUEFSSA-N 2 2 208.252 0.152 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H](O)C(F)F ZINC000308661816 176277508 /nfs/dbraw/zinc/27/75/08/176277508.db2.gz QGWQROVUXRDFKZ-BWZBUEFSSA-N 2 2 208.252 0.152 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1CCSCC1 ZINC000336780446 176277637 /nfs/dbraw/zinc/27/76/37/176277637.db2.gz RIMYUWBDOVHHKV-VXGBXAGGSA-N 2 2 243.420 0.575 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1CCSCC1 ZINC000336780446 176277639 /nfs/dbraw/zinc/27/76/39/176277639.db2.gz RIMYUWBDOVHHKV-VXGBXAGGSA-N 2 2 243.420 0.575 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@](C)(O)C1CC1 ZINC000336764634 176277694 /nfs/dbraw/zinc/27/76/94/176277694.db2.gz QICWIBUPLXUYNM-JLLWLGSASA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@](C)(O)C1CC1 ZINC000336764634 176277695 /nfs/dbraw/zinc/27/76/95/176277695.db2.gz QICWIBUPLXUYNM-JLLWLGSASA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000361232273 176279350 /nfs/dbraw/zinc/27/93/50/176279350.db2.gz XXNMEYNELWPRSA-LPWJVIDDSA-N 3 2 243.395 0.227 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000361232273 176279351 /nfs/dbraw/zinc/27/93/51/176279351.db2.gz XXNMEYNELWPRSA-LPWJVIDDSA-N 3 2 243.395 0.227 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cnnn1C ZINC000352598978 176279662 /nfs/dbraw/zinc/27/96/62/176279662.db2.gz WRHUFCFWCITYIO-CKYFFXLPSA-N 2 2 237.351 0.633 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cnnn1C ZINC000352598978 176279663 /nfs/dbraw/zinc/27/96/63/176279663.db2.gz WRHUFCFWCITYIO-CKYFFXLPSA-N 2 2 237.351 0.633 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1COCCO1 ZINC000358235409 176282189 /nfs/dbraw/zinc/28/21/89/176282189.db2.gz RWEWKYDJURMOOW-RAIGVLPGSA-N 2 2 240.347 0.474 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1COCCO1 ZINC000358235409 176282190 /nfs/dbraw/zinc/28/21/90/176282190.db2.gz RWEWKYDJURMOOW-RAIGVLPGSA-N 2 2 240.347 0.474 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@@H]1C ZINC000339584162 176296010 /nfs/dbraw/zinc/29/60/10/176296010.db2.gz YJDMBDGTBUWWTJ-FOGDFJRCSA-N 2 2 212.337 0.782 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@@H]1C ZINC000339584162 176296011 /nfs/dbraw/zinc/29/60/11/176296011.db2.gz YJDMBDGTBUWWTJ-FOGDFJRCSA-N 2 2 212.337 0.782 20 0 BCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)[C@@H]1C ZINC000339584162 176296012 /nfs/dbraw/zinc/29/60/12/176296012.db2.gz YJDMBDGTBUWWTJ-FOGDFJRCSA-N 2 2 212.337 0.782 20 0 BCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)[C@@H]1C ZINC000339584162 176296013 /nfs/dbraw/zinc/29/60/13/176296013.db2.gz YJDMBDGTBUWWTJ-FOGDFJRCSA-N 2 2 212.337 0.782 20 0 BCADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@@H]1CO ZINC000362091221 176296444 /nfs/dbraw/zinc/29/64/44/176296444.db2.gz SIXJKWVKOIAUTO-GHMZBOCLSA-N 2 2 209.293 0.443 20 0 BCADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@@H]1CO ZINC000362091221 176296445 /nfs/dbraw/zinc/29/64/45/176296445.db2.gz SIXJKWVKOIAUTO-GHMZBOCLSA-N 2 2 209.293 0.443 20 0 BCADLP C[C@@H]1COCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000192128771 176340641 /nfs/dbraw/zinc/34/06/41/176340641.db2.gz KEWZOBVBEUPYSV-MNOVXSKESA-N 2 2 209.293 0.898 20 0 BCADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC2CC2)CC[N@@H+]1C ZINC000123796840 176370779 /nfs/dbraw/zinc/37/07/79/176370779.db2.gz GFFUGUXFLZFVIA-PWSUYJOCSA-N 2 2 239.363 0.680 20 0 BCADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC2CC2)CC[N@H+]1C ZINC000123796840 176370780 /nfs/dbraw/zinc/37/07/80/176370780.db2.gz GFFUGUXFLZFVIA-PWSUYJOCSA-N 2 2 239.363 0.680 20 0 BCADLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NC2CC2)CC[NH+]1C ZINC000123796840 176370781 /nfs/dbraw/zinc/37/07/81/176370781.db2.gz GFFUGUXFLZFVIA-PWSUYJOCSA-N 2 2 239.363 0.680 20 0 BCADLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NC2CC2)CC[NH+]1C ZINC000123796840 176370782 /nfs/dbraw/zinc/37/07/82/176370782.db2.gz GFFUGUXFLZFVIA-PWSUYJOCSA-N 2 2 239.363 0.680 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cnc(N(C)C)nc1 ZINC000333166070 176458195 /nfs/dbraw/zinc/45/81/95/176458195.db2.gz OVFWUBNORABWCH-JQWIXIFHSA-N 2 2 249.362 0.773 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+]Cc1ccc(=O)[nH]c1 ZINC000235111018 487636142 /nfs/dbraw/zinc/63/61/42/487636142.db2.gz JISVHSWUZGTVBJ-VIFPVBQESA-N 2 2 209.293 0.415 20 0 BCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C[NH3+])CC1 ZINC000082254674 177046191 /nfs/dbraw/zinc/04/61/91/177046191.db2.gz VGLVRMPFXWQYSI-LLVKDONJSA-N 2 2 248.330 0.246 20 0 BCADLP C[C@H]1C(=O)NCC[N@H+]1CCCn1cc[nH+]c1 ZINC000183171711 177059645 /nfs/dbraw/zinc/05/96/45/177059645.db2.gz MKXYHNAPWZUWQH-JTQLQIEISA-N 2 2 222.292 0.094 20 0 BCADLP C[C@H]1C(=O)NCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000183171711 177059646 /nfs/dbraw/zinc/05/96/46/177059646.db2.gz MKXYHNAPWZUWQH-JTQLQIEISA-N 2 2 222.292 0.094 20 0 BCADLP C[C@H]1CC(=O)NCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000371199029 177062780 /nfs/dbraw/zinc/06/27/80/177062780.db2.gz QMMXNEYTGAODFH-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@H]1CC(=O)NCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000371199029 177062781 /nfs/dbraw/zinc/06/27/81/177062781.db2.gz QMMXNEYTGAODFH-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@H]1CC(=O)NCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000371199029 177062782 /nfs/dbraw/zinc/06/27/82/177062782.db2.gz QMMXNEYTGAODFH-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@H]1CC(=O)NCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000371199029 177062783 /nfs/dbraw/zinc/06/27/83/177062783.db2.gz QMMXNEYTGAODFH-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@H]1CCN(C(=O)C2C[NH2+]C2)C[C@H]1n1cc[nH+]c1 ZINC000367861622 177145936 /nfs/dbraw/zinc/14/59/36/177145936.db2.gz STQOTCSDJSOMPA-CMPLNLGQSA-N 2 2 248.330 0.512 20 0 BCADLP C[C@H]1CC[NH2+][C@H](C(=O)NCc2[nH+]ccn2C)C1 ZINC000127197799 177176667 /nfs/dbraw/zinc/17/66/67/177176667.db2.gz NTHQIMUPJWQNTM-UWVGGRQHSA-N 2 2 236.319 0.424 20 0 BCADLP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC[NH2+]C(C)(C)C ZINC000042438691 177181891 /nfs/dbraw/zinc/18/18/91/177181891.db2.gz MEJQVZRAMMROSD-WDEREUQCSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC[NH2+]C(C)(C)C ZINC000042438691 177181893 /nfs/dbraw/zinc/18/18/93/177181893.db2.gz MEJQVZRAMMROSD-WDEREUQCSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H](C)[N@H+]1C ZINC000294120706 177210759 /nfs/dbraw/zinc/21/07/59/177210759.db2.gz ZSLMWWHLHFLFAS-UZPIOYONSA-N 2 2 248.330 0.974 20 0 BCADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H](C)[N@@H+]1C ZINC000294120706 177210761 /nfs/dbraw/zinc/21/07/61/177210761.db2.gz ZSLMWWHLHFLFAS-UZPIOYONSA-N 2 2 248.330 0.974 20 0 BCADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000336398432 177232294 /nfs/dbraw/zinc/23/22/94/177232294.db2.gz NUFNPQCFEAWTDQ-IUCAKERBSA-N 2 2 247.289 0.146 20 0 BCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000336398432 177232295 /nfs/dbraw/zinc/23/22/95/177232295.db2.gz NUFNPQCFEAWTDQ-IUCAKERBSA-N 2 2 247.289 0.146 20 0 BCADLP C[C@H](CN1CCCC1=O)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000358024576 177235744 /nfs/dbraw/zinc/23/57/44/177235744.db2.gz RCIWNMQHSRLFHV-TUAOUCFPSA-N 2 2 239.363 0.537 20 0 BCADLP C[C@H](CN1CCCC1=O)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000358024576 177235745 /nfs/dbraw/zinc/23/57/45/177235745.db2.gz RCIWNMQHSRLFHV-TUAOUCFPSA-N 2 2 239.363 0.537 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1=CCCOC1 ZINC000309098955 177235874 /nfs/dbraw/zinc/23/58/74/177235874.db2.gz DXGZZYFEVUTGFI-JQWIXIFHSA-N 2 2 210.321 0.873 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1=CCCOC1 ZINC000309098955 177235876 /nfs/dbraw/zinc/23/58/76/177235876.db2.gz DXGZZYFEVUTGFI-JQWIXIFHSA-N 2 2 210.321 0.873 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCC(=O)N(C)C ZINC000336725057 177236027 /nfs/dbraw/zinc/23/60/27/177236027.db2.gz BIJIUDGCDJYPIR-QWRGUYRKSA-N 2 2 227.352 0.395 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCC(=O)N(C)C ZINC000336725057 177236030 /nfs/dbraw/zinc/23/60/30/177236030.db2.gz BIJIUDGCDJYPIR-QWRGUYRKSA-N 2 2 227.352 0.395 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000358084260 177236153 /nfs/dbraw/zinc/23/61/53/177236153.db2.gz MCIHZZCYJNAVJN-GWCFXTLKSA-N 2 2 247.342 0.825 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000358084260 177236155 /nfs/dbraw/zinc/23/61/55/177236155.db2.gz MCIHZZCYJNAVJN-GWCFXTLKSA-N 2 2 247.342 0.825 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)OCCO ZINC000309765684 177236189 /nfs/dbraw/zinc/23/61/89/177236189.db2.gz JNSHXNDGKSLOLE-QWRGUYRKSA-N 2 2 230.352 0.314 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)OCCO ZINC000309765684 177236190 /nfs/dbraw/zinc/23/61/90/177236190.db2.gz JNSHXNDGKSLOLE-QWRGUYRKSA-N 2 2 230.352 0.314 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000336782400 177236334 /nfs/dbraw/zinc/23/63/34/177236334.db2.gz XMICIKYXLYTSRV-STQMWFEESA-N 2 2 223.364 0.788 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000336782400 177236335 /nfs/dbraw/zinc/23/63/35/177236335.db2.gz XMICIKYXLYTSRV-STQMWFEESA-N 2 2 223.364 0.788 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000362782111 177237209 /nfs/dbraw/zinc/23/72/09/177237209.db2.gz PRTIZROTJHVFBM-WDEREUQCSA-N 2 2 248.330 0.423 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000362782111 177237210 /nfs/dbraw/zinc/23/72/10/177237210.db2.gz PRTIZROTJHVFBM-WDEREUQCSA-N 2 2 248.330 0.423 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000336506043 177237231 /nfs/dbraw/zinc/23/72/31/177237231.db2.gz OZAJKTBKNFUXGS-WCQYABFASA-N 3 2 225.380 0.868 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000336506043 177237232 /nfs/dbraw/zinc/23/72/32/177237232.db2.gz OZAJKTBKNFUXGS-WCQYABFASA-N 3 2 225.380 0.868 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCC(=O)NC(C)(C)C ZINC000358137410 177237330 /nfs/dbraw/zinc/23/73/30/177237330.db2.gz UUUJFPCWFDJCAF-WDEREUQCSA-N 2 2 241.379 0.831 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC(=O)NC(C)(C)C ZINC000358137410 177237331 /nfs/dbraw/zinc/23/73/31/177237331.db2.gz UUUJFPCWFDJCAF-WDEREUQCSA-N 2 2 241.379 0.831 20 0 BCADLP C[C@@H](O)C[N@@H+]1CCN(Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000192813551 177255813 /nfs/dbraw/zinc/25/58/13/177255813.db2.gz UXBZIDWOULEUIS-WDEREUQCSA-N 2 2 238.335 0.297 20 0 BCADLP C[C@@H](O)C[N@H+]1CCN(Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000192813551 177255814 /nfs/dbraw/zinc/25/58/14/177255814.db2.gz UXBZIDWOULEUIS-WDEREUQCSA-N 2 2 238.335 0.297 20 0 BCADLP C[C@H]1COCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000192128778 177295171 /nfs/dbraw/zinc/29/51/71/177295171.db2.gz KEWZOBVBEUPYSV-QWRGUYRKSA-N 2 2 209.293 0.898 20 0 BCADLP C[C@H]1C[C@H]([NH2+]Cc2ccnn2C)CC[N@@H+]1C ZINC000093232516 177370856 /nfs/dbraw/zinc/37/08/56/177370856.db2.gz CDQADHWRPKOBBI-WDEREUQCSA-N 2 2 222.336 0.992 20 0 BCADLP C[C@H]1C[C@H]([NH2+]Cc2ccnn2C)CC[N@H+]1C ZINC000093232516 177370858 /nfs/dbraw/zinc/37/08/58/177370858.db2.gz CDQADHWRPKOBBI-WDEREUQCSA-N 2 2 222.336 0.992 20 0 BCADLP C[C@]1(C(=O)NCCn2cc[nH+]c2)CCCC[NH2+]1 ZINC000136194871 177455114 /nfs/dbraw/zinc/45/51/14/177455114.db2.gz LXAPRCQAVXHOPK-GFCCVEGCSA-N 2 2 236.319 0.532 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280779232 177529189 /nfs/dbraw/zinc/52/91/89/177529189.db2.gz IDQMDKAMDWMKMM-ZWNOBZJWSA-N 2 2 248.330 0.724 20 0 BCADLP Cn1ccnc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000383560819 487640138 /nfs/dbraw/zinc/64/01/38/487640138.db2.gz IFVFLBQLXMXYGQ-AAEUAGOBSA-N 2 2 234.347 0.981 20 0 BCADLP Cn1ccnc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000383560819 487640141 /nfs/dbraw/zinc/64/01/41/487640141.db2.gz IFVFLBQLXMXYGQ-AAEUAGOBSA-N 2 2 234.347 0.981 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCOC[C@@H]1CCOC1 ZINC000674882778 487642774 /nfs/dbraw/zinc/64/27/74/487642774.db2.gz YNQYGJPUKIIRHN-JHJVBQTASA-N 2 2 242.363 0.579 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCOC[C@@H]1CCOC1 ZINC000674882778 487642778 /nfs/dbraw/zinc/64/27/78/487642778.db2.gz YNQYGJPUKIIRHN-JHJVBQTASA-N 2 2 242.363 0.579 20 0 BCADLP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000226016906 487643672 /nfs/dbraw/zinc/64/36/72/487643672.db2.gz MMGHKXWGJLSOGM-NEPJUHHUSA-N 3 2 229.368 0.424 20 0 BCADLP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000226016906 487643673 /nfs/dbraw/zinc/64/36/73/487643673.db2.gz MMGHKXWGJLSOGM-NEPJUHHUSA-N 3 2 229.368 0.424 20 0 BCADLP C[NH+](C)[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492763255 226048299 /nfs/dbraw/zinc/04/82/99/226048299.db2.gz IYSSEHNMYQBDOU-DLRQAJBASA-N 2 2 234.303 0.585 20 0 BCADLP CN(CC[NH+](C)C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492808782 226057110 /nfs/dbraw/zinc/05/71/10/226057110.db2.gz DWVHKOYSTNVAJB-PLNGDYQASA-N 2 2 222.292 0.443 20 0 BCADLP C[NH+](C)C[C@@H]1CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492871257 226072712 /nfs/dbraw/zinc/07/27/12/226072712.db2.gz WYJGSYWPBUVEKN-FJOGCWAESA-N 2 2 248.330 0.976 20 0 BCADLP O=C(C=Cc1c[nH]c[nH+]1)N1CC[NH+]2CCC1CC2 ZINC000493088818 226123365 /nfs/dbraw/zinc/12/33/65/226123365.db2.gz VCCLYTLUQPTMLU-OWOJBTEDSA-N 2 2 246.314 0.730 20 0 BCADLP CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCC[N@@H+](C)C1 ZINC000493341147 226190469 /nfs/dbraw/zinc/19/04/69/226190469.db2.gz UVJHTUPRUJUCHX-FJOGCWAESA-N 2 2 248.330 0.976 20 0 BCADLP C[NH+](C)[C@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493193522 226151114 /nfs/dbraw/zinc/15/11/14/226151114.db2.gz SQRHAUSEKCEHEI-FSIBCCDJSA-N 2 2 234.303 0.585 20 0 BCADLP C[NH+](C)[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000493265244 226170159 /nfs/dbraw/zinc/17/01/59/226170159.db2.gz MNLSPONUDLPVBN-FYJFLYSWSA-N 2 2 248.330 0.879 20 0 BCADLP CN(C(=O)/C=C/c1[nH]cc[nH+]1)C1CC[NH+](C)CC1 ZINC000493394588 226204225 /nfs/dbraw/zinc/20/42/25/226204225.db2.gz CWJSSRFJCOTFMR-ONEGZZNKSA-N 2 2 248.330 0.976 20 0 BCADLP Cn1nccc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494416777 226264701 /nfs/dbraw/zinc/26/47/01/226264701.db2.gz VIDCRMAJHARLTD-JTQLQIEISA-N 2 2 231.303 0.721 20 0 BCADLP Cn1cc([C@H](CO)[NH2+]CCCn2cc[nH+]c2)cn1 ZINC000494810237 226269977 /nfs/dbraw/zinc/26/99/77/226269977.db2.gz RBQVRSCKVHVZEP-LBPRGKRZSA-N 2 2 249.318 0.330 20 0 BCADLP CN1C[C@@H](C[N@@H+]2CC[C@H](C[NH+](C)C)C2)OC1=O ZINC000496434856 226304806 /nfs/dbraw/zinc/30/48/06/226304806.db2.gz FSWHYJKNAXAXOX-MNOVXSKESA-N 2 2 241.335 0.321 20 0 BCADLP CN1C[C@@H](C[N@H+]2CC[C@H](C[NH+](C)C)C2)OC1=O ZINC000496434856 226304807 /nfs/dbraw/zinc/30/48/07/226304807.db2.gz FSWHYJKNAXAXOX-MNOVXSKESA-N 2 2 241.335 0.321 20 0 BCADLP CC(C)[NH2+][C@H]1CCC[N@H+](CC2(CO)COC2)C1 ZINC000674907766 487649935 /nfs/dbraw/zinc/64/99/35/487649935.db2.gz RYNMTTXVAVKQIB-LBPRGKRZSA-N 2 2 242.363 0.458 20 0 BCADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CC2(CO)COC2)C1 ZINC000674907766 487649939 /nfs/dbraw/zinc/64/99/39/487649939.db2.gz RYNMTTXVAVKQIB-LBPRGKRZSA-N 2 2 242.363 0.458 20 0 BCADLP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000680827496 487650274 /nfs/dbraw/zinc/65/02/74/487650274.db2.gz ZOYDCSCNYXXSMD-JOYOIKCWSA-N 2 2 238.335 0.435 20 0 BCADLP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000680827496 487650278 /nfs/dbraw/zinc/65/02/78/487650278.db2.gz ZOYDCSCNYXXSMD-JOYOIKCWSA-N 2 2 238.335 0.435 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000660809899 487667210 /nfs/dbraw/zinc/66/72/10/487667210.db2.gz AIGRSHUAQCHGBQ-ZYHUDNBSSA-N 2 2 239.319 0.273 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000660809899 487667217 /nfs/dbraw/zinc/66/72/17/487667217.db2.gz AIGRSHUAQCHGBQ-ZYHUDNBSSA-N 2 2 239.319 0.273 20 0 BCADLP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@H]1[NH3+] ZINC000314925468 487670115 /nfs/dbraw/zinc/67/01/15/487670115.db2.gz QBBBQMYRKUNPEO-ZYHUDNBSSA-N 3 2 222.336 0.632 20 0 BCADLP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@H]1[NH3+] ZINC000314925468 487670117 /nfs/dbraw/zinc/67/01/17/487670117.db2.gz QBBBQMYRKUNPEO-ZYHUDNBSSA-N 3 2 222.336 0.632 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H]([NH3+])C1 ZINC000315053373 487670146 /nfs/dbraw/zinc/67/01/46/487670146.db2.gz JOXXSYPHUNNIMN-JTQLQIEISA-N 3 2 208.309 0.386 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H]([NH3+])C1 ZINC000315053373 487670150 /nfs/dbraw/zinc/67/01/50/487670150.db2.gz JOXXSYPHUNNIMN-JTQLQIEISA-N 3 2 208.309 0.386 20 0 BCADLP CCCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613624 487671879 /nfs/dbraw/zinc/67/18/79/487671879.db2.gz FUUVNPOMCKVLSF-JTQLQIEISA-N 2 2 228.340 0.071 20 0 BCADLP CCCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613624 487671881 /nfs/dbraw/zinc/67/18/81/487671881.db2.gz FUUVNPOMCKVLSF-JTQLQIEISA-N 2 2 228.340 0.071 20 0 BCADLP C[NH+](C)C[C@]1(O)CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000639761140 487674260 /nfs/dbraw/zinc/67/42/60/487674260.db2.gz KHLTWPNTVRGKMH-GFCCVEGCSA-N 2 2 238.335 0.298 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCO[C@H](C)C1 ZINC000384031436 487688814 /nfs/dbraw/zinc/68/88/14/487688814.db2.gz STYNNCKFPMNSBJ-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCO[C@H](C)C1 ZINC000384031436 487688816 /nfs/dbraw/zinc/68/88/16/487688816.db2.gz STYNNCKFPMNSBJ-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCO[C@H](C)C1 ZINC000384031436 487688820 /nfs/dbraw/zinc/68/88/20/487688820.db2.gz STYNNCKFPMNSBJ-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCO[C@H](C)C1 ZINC000384031436 487688821 /nfs/dbraw/zinc/68/88/21/487688821.db2.gz STYNNCKFPMNSBJ-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP Cn1nncc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000394877441 487694452 /nfs/dbraw/zinc/69/44/52/487694452.db2.gz PLKCBAVPAQVUPU-AAEUAGOBSA-N 2 2 249.362 0.779 20 0 BCADLP Cn1nncc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000394877441 487694457 /nfs/dbraw/zinc/69/44/57/487694457.db2.gz PLKCBAVPAQVUPU-AAEUAGOBSA-N 2 2 249.362 0.779 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)CC(C)(C)[NH3+] ZINC000082777050 487696595 /nfs/dbraw/zinc/69/65/95/487696595.db2.gz MZWOAWOSWQYMIS-UHFFFAOYSA-N 2 2 210.281 0.164 20 0 BCADLP C[C@H](C[NH2+][C@H]1CCCNC(=O)C1)[NH+](C)C ZINC000082667529 487715179 /nfs/dbraw/zinc/71/51/79/487715179.db2.gz MTBZGAHYVMSRPJ-ZJUUUORDSA-N 2 2 213.325 0.195 20 0 BCADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000082667591 487716345 /nfs/dbraw/zinc/71/63/45/487716345.db2.gz RNAZBIUDTUYLST-NSHDSACASA-N 2 2 227.352 0.585 20 0 BCADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000082667591 487716347 /nfs/dbraw/zinc/71/63/47/487716347.db2.gz RNAZBIUDTUYLST-NSHDSACASA-N 2 2 227.352 0.585 20 0 BCADLP CC[C@]1(C(=O)NCc2c[nH+]c[nH]2)CCC[NH2+]1 ZINC000215342019 487722757 /nfs/dbraw/zinc/72/27/57/487722757.db2.gz DOIMTWABKLKUGF-LLVKDONJSA-N 2 2 222.292 0.558 20 0 BCADLP CC[C@]1(C(=O)NCc2c[nH]c[nH+]2)CCC[NH2+]1 ZINC000215342019 487722759 /nfs/dbraw/zinc/72/27/59/487722759.db2.gz DOIMTWABKLKUGF-LLVKDONJSA-N 2 2 222.292 0.558 20 0 BCADLP C[C@H](O)[C@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903901981 584820424 /nfs/dbraw/zinc/82/04/24/584820424.db2.gz CHLSPNSNPKMUTG-XHNCKOQMSA-N 2 2 222.279 0.672 20 0 BCADLP C[C@H](O)[C@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903901981 584820425 /nfs/dbraw/zinc/82/04/25/584820425.db2.gz CHLSPNSNPKMUTG-XHNCKOQMSA-N 2 2 222.279 0.672 20 0 BCADLP CCN(CCO)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000681108863 487728340 /nfs/dbraw/zinc/72/83/40/487728340.db2.gz NHUZSIYEBQYOEM-STQMWFEESA-N 2 2 243.395 0.373 20 0 BCADLP CCN(CCO)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000681108863 487728346 /nfs/dbraw/zinc/72/83/46/487728346.db2.gz NHUZSIYEBQYOEM-STQMWFEESA-N 2 2 243.395 0.373 20 0 BCADLP C[N@H+](C[C@H]1CCCCO1)C[C@H]1C[NH2+]CCO1 ZINC000250365425 487730821 /nfs/dbraw/zinc/73/08/21/487730821.db2.gz FSKFQXVLMVMAEA-VXGBXAGGSA-N 2 2 228.336 0.476 20 0 BCADLP C[N@@H+](C[C@H]1CCCCO1)C[C@H]1C[NH2+]CCO1 ZINC000250365425 487730829 /nfs/dbraw/zinc/73/08/29/487730829.db2.gz FSKFQXVLMVMAEA-VXGBXAGGSA-N 2 2 228.336 0.476 20 0 BCADLP Cc1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])cn1 ZINC000405588872 487733517 /nfs/dbraw/zinc/73/35/17/487733517.db2.gz KNDFCQCNYKZWEO-NSHDSACASA-N 2 2 209.293 0.141 20 0 BCADLP Cc1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])cn1 ZINC000405588872 487733522 /nfs/dbraw/zinc/73/35/22/487733522.db2.gz KNDFCQCNYKZWEO-NSHDSACASA-N 2 2 209.293 0.141 20 0 BCADLP CN(CC[NH+](C)C)c1nc[nH+]c2c1OCCN2 ZINC000665704464 487735886 /nfs/dbraw/zinc/73/58/86/487735886.db2.gz CEKAHJGHCBKBFX-UHFFFAOYSA-N 2 2 237.307 0.279 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@H+](CCc2cnn(C)c2)CCO1 ZINC000226432757 487744305 /nfs/dbraw/zinc/74/43/05/487744305.db2.gz JOMUZOFTSLQXCR-CMPLNLGQSA-N 2 2 238.335 0.011 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCc2cnn(C)c2)CCO1 ZINC000226432757 487744310 /nfs/dbraw/zinc/74/43/10/487744310.db2.gz JOMUZOFTSLQXCR-CMPLNLGQSA-N 2 2 238.335 0.011 20 0 BCADLP Cc1nc(NC[C@@H](C)[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000676076946 487810539 /nfs/dbraw/zinc/81/05/39/487810539.db2.gz ISICCKHBJURTHF-MRVPVSSYSA-N 2 2 238.339 0.608 20 0 BCADLP [NH3+]CCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000414705119 487819010 /nfs/dbraw/zinc/81/90/10/487819010.db2.gz LBZTUMGFSDHIBB-GFCCVEGCSA-N 3 2 221.304 0.884 20 0 BCADLP [NH3+]CCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000414705119 487819015 /nfs/dbraw/zinc/81/90/15/487819015.db2.gz LBZTUMGFSDHIBB-GFCCVEGCSA-N 3 2 221.304 0.884 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N(C)CC1C[NH+](C)C1 ZINC000666493634 487820311 /nfs/dbraw/zinc/82/03/11/487820311.db2.gz KUDBGJGDNOBANU-UHFFFAOYSA-N 2 2 248.330 0.837 20 0 BCADLP C[C@@H]1C[C@H](C)C[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000252212854 487823344 /nfs/dbraw/zinc/82/33/44/487823344.db2.gz YNULJWRYWLOTNB-GRYCIOLGSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[C@H](C)C[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000252212854 487823350 /nfs/dbraw/zinc/82/33/50/487823350.db2.gz YNULJWRYWLOTNB-GRYCIOLGSA-N 2 2 212.337 0.953 20 0 BCADLP Cn1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)nn1 ZINC000671760115 487829069 /nfs/dbraw/zinc/82/90/69/487829069.db2.gz DXAZLPHWOMWLSP-FRRDWIJNSA-N 2 2 249.362 0.778 20 0 BCADLP Cn1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)nn1 ZINC000671760115 487829072 /nfs/dbraw/zinc/82/90/72/487829072.db2.gz DXAZLPHWOMWLSP-FRRDWIJNSA-N 2 2 249.362 0.778 20 0 BCADLP C[C@@H]1C[C@H]([N@@H+](C)CC[S@@](C)=O)CC[NH+]1C ZINC000827976023 587414572 /nfs/dbraw/zinc/41/45/72/587414572.db2.gz NQLUFLLXRRXVAD-UEKVPHQBSA-N 2 2 232.393 0.779 20 0 BCADLP [NH3+]CCCNc1ccc(N2CCOCC2)c[nH+]1 ZINC000415084983 487835937 /nfs/dbraw/zinc/83/59/37/487835937.db2.gz PJZNIDUHCCLWSJ-UHFFFAOYSA-N 2 2 236.319 0.101 20 0 BCADLP C[C@@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)CCS1 ZINC000252978950 487841222 /nfs/dbraw/zinc/84/12/22/487841222.db2.gz FKFBGMRJAYWSAV-NXEZZACHSA-N 2 2 216.350 0.412 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)CCS1 ZINC000252978950 487841225 /nfs/dbraw/zinc/84/12/25/487841225.db2.gz FKFBGMRJAYWSAV-NXEZZACHSA-N 2 2 216.350 0.412 20 0 BCADLP CC[C@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)CCS1 ZINC000253079827 487846454 /nfs/dbraw/zinc/84/64/54/487846454.db2.gz UYIHKEUCFBABKT-MNOVXSKESA-N 2 2 230.377 0.802 20 0 BCADLP CC[C@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)CCS1 ZINC000253079827 487846458 /nfs/dbraw/zinc/84/64/58/487846458.db2.gz UYIHKEUCFBABKT-MNOVXSKESA-N 2 2 230.377 0.802 20 0 BCADLP C[C@@H](CNC(=O)CC(C)(C)[NH3+])Cn1cc[nH+]c1 ZINC000178721204 487848893 /nfs/dbraw/zinc/84/88/93/487848893.db2.gz MSYYPWMUJBOREQ-JTQLQIEISA-N 2 2 238.335 0.763 20 0 BCADLP CCCCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000668164631 487856087 /nfs/dbraw/zinc/85/60/87/487856087.db2.gz WTCBCTDIGGUHTG-NSHDSACASA-N 2 2 242.367 0.461 20 0 BCADLP CCCCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000668164631 487856094 /nfs/dbraw/zinc/85/60/94/487856094.db2.gz WTCBCTDIGGUHTG-NSHDSACASA-N 2 2 242.367 0.461 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000666697389 487861935 /nfs/dbraw/zinc/86/19/35/487861935.db2.gz ZCOBGVOJZRYOGY-RYUDHWBXSA-N 2 2 237.351 0.898 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000666697389 487861939 /nfs/dbraw/zinc/86/19/39/487861939.db2.gz ZCOBGVOJZRYOGY-RYUDHWBXSA-N 2 2 237.351 0.898 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000666697388 487862152 /nfs/dbraw/zinc/86/21/52/487862152.db2.gz ZCOBGVOJZRYOGY-NWDGAFQWSA-N 2 2 237.351 0.898 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000666697388 487862153 /nfs/dbraw/zinc/86/21/53/487862153.db2.gz ZCOBGVOJZRYOGY-NWDGAFQWSA-N 2 2 237.351 0.898 20 0 BCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770224 487876621 /nfs/dbraw/zinc/87/66/21/487876621.db2.gz PSWVEQZMXDWGOR-GHMZBOCLSA-N 2 2 248.392 0.541 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000663238759 487879034 /nfs/dbraw/zinc/87/90/34/487879034.db2.gz CUPPDQHGMVVWRX-YUMQZZPRSA-N 2 2 237.307 0.620 20 0 BCADLP COc1c(N)nc[nH+]c1N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000663238759 487879038 /nfs/dbraw/zinc/87/90/38/487879038.db2.gz CUPPDQHGMVVWRX-YUMQZZPRSA-N 2 2 237.307 0.620 20 0 BCADLP CC1(C)CN(Cc2[nH]cc[nH+]2)CC[N@@H+]1CCO ZINC000682035998 487887221 /nfs/dbraw/zinc/88/72/21/487887221.db2.gz GQTXRSHZEVHXQK-UHFFFAOYSA-N 2 2 238.335 0.298 20 0 BCADLP CC1(C)CN(Cc2[nH]cc[nH+]2)CC[N@H+]1CCO ZINC000682035998 487887226 /nfs/dbraw/zinc/88/72/26/487887226.db2.gz GQTXRSHZEVHXQK-UHFFFAOYSA-N 2 2 238.335 0.298 20 0 BCADLP CCc1nn(C)cc1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666945284 487910667 /nfs/dbraw/zinc/91/06/67/487910667.db2.gz ILBHXHLZRHILOX-QWRGUYRKSA-N 2 2 240.326 0.772 20 0 BCADLP C[C@H]1OCC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946488 487911049 /nfs/dbraw/zinc/91/10/49/487911049.db2.gz FJXSZOFUXOPLTK-KATARQTJSA-N 2 2 202.273 0.453 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000080530544 487911425 /nfs/dbraw/zinc/91/14/25/487911425.db2.gz OYHJZXBDKOTKSI-NXEZZACHSA-N 2 2 236.319 0.886 20 0 BCADLP C[C@H]1OCC[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946489 487911518 /nfs/dbraw/zinc/91/15/18/487911518.db2.gz FJXSZOFUXOPLTK-XFWSIPNHSA-N 2 2 202.273 0.453 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)CC1CC[NH2+]CC1 ZINC000080530690 487912764 /nfs/dbraw/zinc/91/27/64/487912764.db2.gz ZGHXQNIKFBVBKP-UHFFFAOYSA-N 2 2 236.319 0.758 20 0 BCADLP Cc1cc(C[NH2+][C@@](C)(C[NH3+])C2CC2)nn1C ZINC000652335889 487924394 /nfs/dbraw/zinc/92/43/94/487924394.db2.gz OKSUIYZGNKDMBK-LBPRGKRZSA-N 2 2 222.336 0.946 20 0 BCADLP CC[C@H](NC(=O)[C@H](C)[NH+](C)C)c1[nH]cc[nH+]1 ZINC000682363720 487939121 /nfs/dbraw/zinc/93/91/21/487939121.db2.gz UOQNTEYQJDAAFJ-IUCAKERBSA-N 2 2 224.308 0.927 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000569458463 322966890 /nfs/dbraw/zinc/96/68/90/322966890.db2.gz LQYNWZKGKICNSM-ZWNOBZJWSA-N 2 2 248.330 0.378 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000569458458 322966965 /nfs/dbraw/zinc/96/69/65/322966965.db2.gz LQYNWZKGKICNSM-GWCFXTLKSA-N 2 2 248.330 0.378 20 0 BCADLP COC[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)C1CC1 ZINC000397247963 322976194 /nfs/dbraw/zinc/97/61/94/322976194.db2.gz BPQPJTZOVBDOKI-WXHSDQCUSA-N 2 2 242.363 0.768 20 0 BCADLP C[N@H+](CCOC[C@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC000564729265 323011481 /nfs/dbraw/zinc/01/14/81/323011481.db2.gz OSVHWKUXOBGLOD-VXGBXAGGSA-N 2 2 228.336 0.476 20 0 BCADLP C[N@@H+](CCOC[C@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC000564729265 323011482 /nfs/dbraw/zinc/01/14/82/323011482.db2.gz OSVHWKUXOBGLOD-VXGBXAGGSA-N 2 2 228.336 0.476 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H](CO)CC(F)F)n1C ZINC000567628121 323033773 /nfs/dbraw/zinc/03/37/73/323033773.db2.gz KIOHFMRIYJJIGN-MRVPVSSYSA-N 2 2 233.262 0.834 20 0 BCADLP C[NH2+]Cc1noc(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000569723439 323038728 /nfs/dbraw/zinc/03/87/28/323038728.db2.gz HFMNWHXBUWRZQX-PBINXNQUSA-N 2 2 236.319 0.862 20 0 BCADLP CCCNC(=O)CC[NH2+]Cc1c[nH+]c(C)n1C ZINC000569826182 323042124 /nfs/dbraw/zinc/04/21/24/323042124.db2.gz QRDMQYXFXFKQTE-UHFFFAOYSA-N 2 2 238.335 0.734 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCCOCCO)n1C ZINC000570345389 323057024 /nfs/dbraw/zinc/05/70/24/323057024.db2.gz LPQCIUBVGJASAK-UHFFFAOYSA-N 2 2 227.308 0.217 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCCc1nc(C)no1 ZINC000570632943 323065604 /nfs/dbraw/zinc/06/56/04/323065604.db2.gz MQIDTGHBQJQXED-LLVKDONJSA-N 2 2 238.335 0.994 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1CCCc1nc(C)no1 ZINC000570632943 323065605 /nfs/dbraw/zinc/06/56/05/323065605.db2.gz MQIDTGHBQJQXED-LLVKDONJSA-N 2 2 238.335 0.994 20 0 BCADLP C[NH2+]Cc1noc(C[C@@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000570800423 323071029 /nfs/dbraw/zinc/07/10/29/323071029.db2.gz OTPDCCIRUSROEQ-NXEZZACHSA-N 2 2 238.335 0.967 20 0 BCADLP CCn1cc[nH+]c1CNC[C@H]([NH3+])C(C)C ZINC000570909002 323073885 /nfs/dbraw/zinc/07/38/85/323073885.db2.gz ZFNJQMBKMCHDHF-JTQLQIEISA-N 2 2 210.325 0.976 20 0 BCADLP NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000570920713 323074365 /nfs/dbraw/zinc/07/43/65/323074365.db2.gz VBPXGCWZQHXKLG-SNVBAGLBSA-N 2 2 225.336 0.468 20 0 BCADLP NC(=O)CC[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000570920713 323074366 /nfs/dbraw/zinc/07/43/66/323074366.db2.gz VBPXGCWZQHXKLG-SNVBAGLBSA-N 2 2 225.336 0.468 20 0 BCADLP COc1ccc[nH+]c1NC[C@](C)(O)C[NH+](C)C ZINC000227931350 323077266 /nfs/dbraw/zinc/07/72/66/323077266.db2.gz UKQXHJDFCSPATB-LBPRGKRZSA-N 2 2 239.319 0.815 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCCC1 ZINC000308638762 323080742 /nfs/dbraw/zinc/08/07/42/323080742.db2.gz CANUNPYGNPTAIL-NSHDSACASA-N 2 2 200.326 0.785 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCCC1 ZINC000308638762 323080743 /nfs/dbraw/zinc/08/07/43/323080743.db2.gz CANUNPYGNPTAIL-NSHDSACASA-N 2 2 200.326 0.785 20 0 BCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000570959630 323101619 /nfs/dbraw/zinc/10/16/19/323101619.db2.gz BATXOHVYGVYRHK-BDAKNGLRSA-N 2 2 239.323 0.345 20 0 BCADLP C[C@H](C(=O)NCCn1cc[nH+]c1)[NH+]1CC(C)C1 ZINC000570984606 323102628 /nfs/dbraw/zinc/10/26/28/323102628.db2.gz WVRWJAFVUJQCMI-LLVKDONJSA-N 2 2 236.319 0.340 20 0 BCADLP CC[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000571014407 323103657 /nfs/dbraw/zinc/10/36/57/323103657.db2.gz OHHPDYLEYAVDIK-UHFFFAOYSA-N 2 2 236.319 0.437 20 0 BCADLP CC[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000571014407 323103658 /nfs/dbraw/zinc/10/36/58/323103658.db2.gz OHHPDYLEYAVDIK-UHFFFAOYSA-N 2 2 236.319 0.437 20 0 BCADLP CC(=O)N[C@@H](C)C1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000571047001 323105209 /nfs/dbraw/zinc/10/52/09/323105209.db2.gz DVVFVRAIBUJGLO-ZJUUUORDSA-N 2 2 227.352 0.570 20 0 BCADLP [NH3+]CC[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000563269855 323107258 /nfs/dbraw/zinc/10/72/58/323107258.db2.gz ZTCGZGPAAJGZFJ-BDAKNGLRSA-N 2 2 202.323 0.151 20 0 BCADLP [NH3+]CC[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000563269855 323107259 /nfs/dbraw/zinc/10/72/59/323107259.db2.gz ZTCGZGPAAJGZFJ-BDAKNGLRSA-N 2 2 202.323 0.151 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000531729200 323111713 /nfs/dbraw/zinc/11/17/13/323111713.db2.gz NDLJHFNSMMEGLF-VXGBXAGGSA-N 2 2 241.379 0.785 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000531729200 323111714 /nfs/dbraw/zinc/11/17/14/323111714.db2.gz NDLJHFNSMMEGLF-VXGBXAGGSA-N 2 2 241.379 0.785 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[NH2+]C(C)(C)C(=O)N(C)C ZINC000563435789 323125476 /nfs/dbraw/zinc/12/54/76/323125476.db2.gz GGMKMBXICNWSPM-SNVBAGLBSA-N 2 2 229.368 0.816 20 0 BCADLP COC[C@@]1(C[NH2+]CC2(F)CC2)CCC[NH2+]1 ZINC000563452448 323126907 /nfs/dbraw/zinc/12/69/07/323126907.db2.gz SUVIFWRFSXKMLB-NSHDSACASA-N 2 2 216.300 0.847 20 0 BCADLP CCn1cc[nH+]c1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000310126459 323128280 /nfs/dbraw/zinc/12/82/80/323128280.db2.gz GBAKGRTWNAARFM-NEPJUHHUSA-N 2 2 234.347 0.944 20 0 BCADLP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2nnc3n2CCC3)C1 ZINC000571226610 323138913 /nfs/dbraw/zinc/13/89/13/323138913.db2.gz RPHOIIKIGNAFRK-ZJUUUORDSA-N 2 2 235.335 0.584 20 0 BCADLP C[C@@H](O)CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000571340682 323141904 /nfs/dbraw/zinc/14/19/04/323141904.db2.gz KFXUZSXLCVITLD-GHMZBOCLSA-N 2 2 223.320 0.980 20 0 BCADLP C[C@@H](O)CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000571340682 323141905 /nfs/dbraw/zinc/14/19/05/323141905.db2.gz KFXUZSXLCVITLD-GHMZBOCLSA-N 2 2 223.320 0.980 20 0 BCADLP Cc1[nH+]ccn1CCNC(=O)Cn1cc[nH+]c1 ZINC000571342471 323141983 /nfs/dbraw/zinc/14/19/83/323141983.db2.gz GKZGDOFCTKNSFL-UHFFFAOYSA-N 2 2 233.275 0.204 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000535311853 323170396 /nfs/dbraw/zinc/17/03/96/323170396.db2.gz AKBLYHGPZUTDGE-WDEREUQCSA-N 2 2 248.330 0.440 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000535311853 323170397 /nfs/dbraw/zinc/17/03/97/323170397.db2.gz AKBLYHGPZUTDGE-WDEREUQCSA-N 2 2 248.330 0.440 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]CC1(F)CC1 ZINC000308622530 323176502 /nfs/dbraw/zinc/17/65/02/323176502.db2.gz URKJWBHNAMGDDS-UHFFFAOYSA-N 2 2 204.289 0.392 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]CC1(F)CC1 ZINC000308622530 323176503 /nfs/dbraw/zinc/17/65/03/323176503.db2.gz URKJWBHNAMGDDS-UHFFFAOYSA-N 2 2 204.289 0.392 20 0 BCADLP Cn1cc[nH+]c1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000530177107 323205288 /nfs/dbraw/zinc/20/52/88/323205288.db2.gz GJIUZFUUFCOHMD-SNVBAGLBSA-N 2 2 220.320 0.794 20 0 BCADLP C[NH2+][C@@H](C)C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000563976826 323338094 /nfs/dbraw/zinc/33/80/94/323338094.db2.gz VHMWIUHMWOFTDO-JTQLQIEISA-N 2 2 246.314 0.867 20 0 BCADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]CCC(N)=O)CCC2 ZINC000571909744 323505944 /nfs/dbraw/zinc/50/59/44/323505944.db2.gz CBCFAHIUHTWLOC-SNVBAGLBSA-N 2 2 236.319 0.534 20 0 BCADLP CC(C)[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000571992284 323519008 /nfs/dbraw/zinc/51/90/08/323519008.db2.gz CUEQYHWXBBGIGU-VXGBXAGGSA-N 2 2 212.337 0.999 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H](C)C[C@H](C)O)n1C ZINC000516194386 324116911 /nfs/dbraw/zinc/11/69/11/324116911.db2.gz GBYMJOXCZVBUMW-BDAKNGLRSA-N 2 2 211.309 0.978 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H](C)C[C@H](C)O)n1C ZINC000516194388 324117052 /nfs/dbraw/zinc/11/70/52/324117052.db2.gz GBYMJOXCZVBUMW-IUCAKERBSA-N 2 2 211.309 0.978 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)NCCn1cc[nH+]c1 ZINC000195311253 324202113 /nfs/dbraw/zinc/20/21/13/324202113.db2.gz KCPLGHIOHSOEJY-UHFFFAOYSA-N 2 2 224.308 0.340 20 0 BCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(F)cn2)C1 ZINC000529545548 324335145 /nfs/dbraw/zinc/33/51/45/324335145.db2.gz XTFMMYCXZZCXJU-LBPRGKRZSA-N 2 2 239.294 0.377 20 0 BCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(F)cn2)C1 ZINC000529545548 324335147 /nfs/dbraw/zinc/33/51/47/324335147.db2.gz XTFMMYCXZZCXJU-LBPRGKRZSA-N 2 2 239.294 0.377 20 0 BCADLP C[C@@H](NC(=O)NCC[NH+](C)C)c1[nH+]ccn1C ZINC000667253117 487963247 /nfs/dbraw/zinc/96/32/47/487963247.db2.gz YKRFJKIOJPHECS-SECBINFHSA-N 2 2 239.323 0.342 20 0 BCADLP CC1(C)C[NH+](CC(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000654791170 487965125 /nfs/dbraw/zinc/96/51/25/487965125.db2.gz BCRTYAXBPROPHW-UHFFFAOYSA-N 2 2 248.330 0.608 20 0 BCADLP CCn1cc[nH+]c1CNC[C@@](C)(O)C[NH+](C)C ZINC000228722348 324920854 /nfs/dbraw/zinc/92/08/54/324920854.db2.gz CKYYVRKSSOWEOO-GFCCVEGCSA-N 2 2 240.351 0.305 20 0 BCADLP [NH3+]Cc1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC000131206472 325125320 /nfs/dbraw/zinc/12/53/20/325125320.db2.gz CIDJAVDBYORYQN-NSHDSACASA-N 2 2 235.287 0.072 20 0 BCADLP C[C@@]1(CO)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000544761332 325158932 /nfs/dbraw/zinc/15/89/32/325158932.db2.gz GGTKIKKOWZKBJW-NSHDSACASA-N 2 2 209.293 0.730 20 0 BCADLP C[C@@]1(CO)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000544761332 325158935 /nfs/dbraw/zinc/15/89/35/325158935.db2.gz GGTKIKKOWZKBJW-NSHDSACASA-N 2 2 209.293 0.730 20 0 BCADLP C[C@@H](O)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000133700744 325310574 /nfs/dbraw/zinc/31/05/74/325310574.db2.gz ZFKFLMFPSVKJIE-HBNTYKKESA-N 2 2 212.337 0.972 20 0 BCADLP C[C@@H](O)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000133700744 325310576 /nfs/dbraw/zinc/31/05/76/325310576.db2.gz ZFKFLMFPSVKJIE-HBNTYKKESA-N 2 2 212.337 0.972 20 0 BCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]C(C)(C)C ZINC000548520609 325466390 /nfs/dbraw/zinc/46/63/90/325466390.db2.gz VMJRXKBCUQZWNG-UHFFFAOYSA-N 2 2 238.335 0.467 20 0 BCADLP C[C@@H](CC(=O)NC[C@@H]1CCC[NH2+]1)n1cc[nH+]c1 ZINC000565147863 325861630 /nfs/dbraw/zinc/86/16/30/325861630.db2.gz OSLDUPFBOSYSDM-QWRGUYRKSA-N 2 2 236.319 0.702 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H](CC[NH3+])C(F)F)c[nH+]1 ZINC000566212500 326014192 /nfs/dbraw/zinc/01/41/92/326014192.db2.gz FVNHFPPWXVBSJY-LURJTMIESA-N 2 2 232.234 0.430 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000566245388 326022376 /nfs/dbraw/zinc/02/23/76/326022376.db2.gz PBSIOPVWNFCFTI-MNOVXSKESA-N 3 2 227.352 0.021 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000566245388 326022378 /nfs/dbraw/zinc/02/23/78/326022378.db2.gz PBSIOPVWNFCFTI-MNOVXSKESA-N 3 2 227.352 0.021 20 0 BCADLP C[NH2+]CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000566288930 326029210 /nfs/dbraw/zinc/02/92/10/326029210.db2.gz KFAHWBYKELEATJ-UHFFFAOYSA-N 2 2 246.314 0.521 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000566363177 326037460 /nfs/dbraw/zinc/03/74/60/326037460.db2.gz GPEHTKGWUBSUQH-VIFPVBQESA-N 2 2 236.319 0.855 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000566363177 326037463 /nfs/dbraw/zinc/03/74/63/326037463.db2.gz GPEHTKGWUBSUQH-VIFPVBQESA-N 2 2 236.319 0.855 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OC(C)C)C1 ZINC000566428382 326045082 /nfs/dbraw/zinc/04/50/82/326045082.db2.gz DTCWJDJYEXESTO-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OC(C)C)C1 ZINC000566428382 326045084 /nfs/dbraw/zinc/04/50/84/326045084.db2.gz DTCWJDJYEXESTO-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000566428382 326045086 /nfs/dbraw/zinc/04/50/86/326045086.db2.gz DTCWJDJYEXESTO-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000566428382 326045088 /nfs/dbraw/zinc/04/50/88/326045088.db2.gz DTCWJDJYEXESTO-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP C[C@H]([NH3+])C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000566562271 326064176 /nfs/dbraw/zinc/06/41/76/326064176.db2.gz SJMHCOITZFBEHJ-DRZSPHRISA-N 3 2 241.379 0.552 20 0 BCADLP COC[C@@]1(C[NH2+]C[C@]2(C)CC[NH2+]C2)CCC[NH2+]1 ZINC000566973637 326098293 /nfs/dbraw/zinc/09/82/93/326098293.db2.gz NAOBZXGHBIBWGI-OLZOCXBDSA-N 3 2 241.379 0.344 20 0 BCADLP C[N@H+](CC1(C[NH3+])CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000567269636 326154009 /nfs/dbraw/zinc/15/40/09/326154009.db2.gz PRIGZUVTTWDYEY-FOSCPWQOSA-N 3 2 223.364 0.940 20 0 BCADLP C[N@@H+](CC1(C[NH3+])CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000567269636 326154012 /nfs/dbraw/zinc/15/40/12/326154012.db2.gz PRIGZUVTTWDYEY-FOSCPWQOSA-N 3 2 223.364 0.940 20 0 BCADLP COCC[N@H+](C)CCNCc1c[nH+]c(C)n1C ZINC000567407883 326185417 /nfs/dbraw/zinc/18/54/17/326185417.db2.gz NOHLCKVYIPQRJJ-UHFFFAOYSA-N 2 2 240.351 0.396 20 0 BCADLP COCC[N@@H+](C)CCNCc1c[nH+]c(C)n1C ZINC000567407883 326185419 /nfs/dbraw/zinc/18/54/19/326185419.db2.gz NOHLCKVYIPQRJJ-UHFFFAOYSA-N 2 2 240.351 0.396 20 0 BCADLP NC(=O)CC[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000567699681 326247392 /nfs/dbraw/zinc/24/73/92/326247392.db2.gz XXSGKZDIXMFYTA-NSHDSACASA-N 2 2 225.336 0.468 20 0 BCADLP NC(=O)CC[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000567699681 326247393 /nfs/dbraw/zinc/24/73/93/326247393.db2.gz XXSGKZDIXMFYTA-NSHDSACASA-N 2 2 225.336 0.468 20 0 BCADLP Cc1cc(NC(=O)NC[C@H](C)C[NH3+])c(C)c[nH+]1 ZINC000567712265 326249776 /nfs/dbraw/zinc/24/97/76/326249776.db2.gz YKDAECNEXUOOAI-MRVPVSSYSA-N 2 2 236.319 0.837 20 0 BCADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000313248525 326260224 /nfs/dbraw/zinc/26/02/24/326260224.db2.gz BRKBAUUIBAZTFJ-WDEREUQCSA-N 3 2 222.336 0.822 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](Cc2ccccn2)CCCO1 ZINC000313356646 326264171 /nfs/dbraw/zinc/26/41/71/326264171.db2.gz ORTUBHZVCCCMJF-LBPRGKRZSA-N 2 2 221.304 0.631 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccccn2)CCCO1 ZINC000313356646 326264172 /nfs/dbraw/zinc/26/41/72/326264172.db2.gz ORTUBHZVCCCMJF-LBPRGKRZSA-N 2 2 221.304 0.631 20 0 BCADLP [NH3+][C@H]1CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000568051539 326300847 /nfs/dbraw/zinc/30/08/47/326300847.db2.gz PZAYWYJZYXQTDC-AWEZNQCLSA-N 3 2 231.343 0.865 20 0 BCADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000568051539 326300849 /nfs/dbraw/zinc/30/08/49/326300849.db2.gz PZAYWYJZYXQTDC-AWEZNQCLSA-N 3 2 231.343 0.865 20 0 BCADLP CCC(=O)N1CCC[N@H+](CC(C)(C)[NH3+])CC1 ZINC000568089222 326306715 /nfs/dbraw/zinc/30/67/15/326306715.db2.gz MYKAURMTJXTNID-UHFFFAOYSA-N 2 2 227.352 0.668 20 0 BCADLP CCC(=O)N1CCC[N@@H+](CC(C)(C)[NH3+])CC1 ZINC000568089222 326306717 /nfs/dbraw/zinc/30/67/17/326306717.db2.gz MYKAURMTJXTNID-UHFFFAOYSA-N 2 2 227.352 0.668 20 0 BCADLP COc1coc(C[N@H+](C)C2CC([NH3+])C2)cc1=O ZINC000568392591 326351516 /nfs/dbraw/zinc/35/15/16/326351516.db2.gz MLTLWAUNLPMRLA-UHFFFAOYSA-N 2 2 238.287 0.570 20 0 BCADLP COc1coc(C[N@@H+](C)C2CC([NH3+])C2)cc1=O ZINC000568392591 326351518 /nfs/dbraw/zinc/35/15/18/326351518.db2.gz MLTLWAUNLPMRLA-UHFFFAOYSA-N 2 2 238.287 0.570 20 0 BCADLP O[C@@H]1COC[C@H]1[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000568722708 326373602 /nfs/dbraw/zinc/37/36/02/326373602.db2.gz VDYSOEUMHSLVSZ-GMTAPVOTSA-N 2 2 237.303 0.349 20 0 BCADLP O[C@@H]1COC[C@H]1[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000568722708 326373603 /nfs/dbraw/zinc/37/36/03/326373603.db2.gz VDYSOEUMHSLVSZ-GMTAPVOTSA-N 2 2 237.303 0.349 20 0 BCADLP CC(C)N(C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000568766506 326376421 /nfs/dbraw/zinc/37/64/21/326376421.db2.gz AKPVECRENKIBHP-SNVBAGLBSA-N 2 2 228.340 0.021 20 0 BCADLP CC(C)N(C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000568766506 326376422 /nfs/dbraw/zinc/37/64/22/326376422.db2.gz AKPVECRENKIBHP-SNVBAGLBSA-N 2 2 228.340 0.021 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C[C@]1(C)CC[NH2+]C1 ZINC000568782631 326377487 /nfs/dbraw/zinc/37/74/87/326377487.db2.gz WHMHKFOGEWJODJ-LLVKDONJSA-N 2 2 208.309 0.841 20 0 BCADLP CCO[C@@H]1C[C@@H]1[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000568868728 326380185 /nfs/dbraw/zinc/38/01/85/326380185.db2.gz CMSQLSPCWPVUNP-QNWHQSFQSA-N 2 2 240.347 0.520 20 0 BCADLP CN(CCCn1cc[nH+]c1)C(=O)C(C)(C)[NH3+] ZINC000568982064 326384424 /nfs/dbraw/zinc/38/44/24/326384424.db2.gz DBDKLCQIYHNWCU-UHFFFAOYSA-N 2 2 224.308 0.469 20 0 BCADLP C[NH2+]CCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000573089832 326429005 /nfs/dbraw/zinc/42/90/05/326429005.db2.gz SKONGQHPTYQAMO-UHFFFAOYSA-N 2 2 249.305 0.299 20 0 BCADLP Cc1cc(NC(=O)NC/C=C/C[NH3+])c(C)c[nH+]1 ZINC000667301952 487982491 /nfs/dbraw/zinc/98/24/91/487982491.db2.gz SGHCZHBCTZZZLW-ONEGZZNKSA-N 2 2 234.303 0.757 20 0 BCADLP C[NH+](C)C1(C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000667359571 487985421 /nfs/dbraw/zinc/98/54/21/487985421.db2.gz FPTWBMMHTQAKSP-UHFFFAOYSA-N 2 2 237.347 0.387 20 0 BCADLP CC[N@@H+]1CCN(CC[NH+]2CCOCC2)C[C@@H]1C ZINC000677192002 487997025 /nfs/dbraw/zinc/99/70/25/487997025.db2.gz OXPQEFGXBAKOTD-ZDUSSCGKSA-N 2 2 241.379 0.345 20 0 BCADLP CC[N@H+]1CCN(CC[NH+]2CCOCC2)C[C@@H]1C ZINC000677192002 487997028 /nfs/dbraw/zinc/99/70/28/487997028.db2.gz OXPQEFGXBAKOTD-ZDUSSCGKSA-N 2 2 241.379 0.345 20 0 BCADLP CC[C@@H]([NH3+])c1cn(CCn2cc[nH+]c2)nn1 ZINC000229933773 487999748 /nfs/dbraw/zinc/99/97/48/487999748.db2.gz GRRIGDAESGQOPA-SECBINFHSA-N 2 2 220.280 0.585 20 0 BCADLP NC(=O)C[N@H+](Cc1cc[nH+]c(N)c1)C1CCCC1 ZINC000052726748 488004167 /nfs/dbraw/zinc/00/41/67/488004167.db2.gz MLILKTKAMUOHLS-UHFFFAOYSA-N 2 2 248.330 0.894 20 0 BCADLP NC(=O)C[N@@H+](Cc1cc[nH+]c(N)c1)C1CCCC1 ZINC000052726748 488004170 /nfs/dbraw/zinc/00/41/70/488004170.db2.gz MLILKTKAMUOHLS-UHFFFAOYSA-N 2 2 248.330 0.894 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]CC(C)(C)CO)n1C ZINC000135080648 488013805 /nfs/dbraw/zinc/01/38/05/488013805.db2.gz ZXHKOXPDGHVFPF-UHFFFAOYSA-N 2 2 240.351 0.594 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000147434812 488023564 /nfs/dbraw/zinc/02/35/64/488023564.db2.gz SQXZKZXRZBTSMG-MNOVXSKESA-N 2 2 227.352 0.572 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000147434812 488023569 /nfs/dbraw/zinc/02/35/69/488023569.db2.gz SQXZKZXRZBTSMG-MNOVXSKESA-N 2 2 227.352 0.572 20 0 BCADLP O[C@@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667495287 488027372 /nfs/dbraw/zinc/02/73/72/488027372.db2.gz BQECNEBGFKKXEO-CYBMUJFWSA-N 2 2 244.298 0.834 20 0 BCADLP O[C@@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667495287 488027374 /nfs/dbraw/zinc/02/73/74/488027374.db2.gz BQECNEBGFKKXEO-CYBMUJFWSA-N 2 2 244.298 0.834 20 0 BCADLP CCC[C@H]([NH3+])c1cn(Cc2[nH+]ccn2C)nn1 ZINC000229972106 488027701 /nfs/dbraw/zinc/02/77/01/488027701.db2.gz QQBYJWBPRYUKLF-VIFPVBQESA-N 2 2 234.307 0.860 20 0 BCADLP Cn1nccc1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000236086264 488039940 /nfs/dbraw/zinc/03/99/40/488039940.db2.gz CEZBQCNLPZBCJX-SNVBAGLBSA-N 2 2 208.309 0.652 20 0 BCADLP C([N@@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2)[C@]12C[C@H]1C[NH2+]C2 ZINC000663496866 488045923 /nfs/dbraw/zinc/04/59/23/488045923.db2.gz ZZQUZFOXKUPTSA-QNWHQSFQSA-N 3 2 221.348 0.422 20 0 BCADLP C([N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2)[C@]12C[C@H]1C[NH2+]C2 ZINC000663496866 488045925 /nfs/dbraw/zinc/04/59/25/488045925.db2.gz ZZQUZFOXKUPTSA-QNWHQSFQSA-N 3 2 221.348 0.422 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCOC1 ZINC000401676074 488046647 /nfs/dbraw/zinc/04/66/47/488046647.db2.gz SSRZYIQHWDBMCO-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCOC1 ZINC000401676074 488046652 /nfs/dbraw/zinc/04/66/52/488046652.db2.gz SSRZYIQHWDBMCO-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCCOC1 ZINC000401676074 488046657 /nfs/dbraw/zinc/04/66/57/488046657.db2.gz SSRZYIQHWDBMCO-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCCOC1 ZINC000401676074 488046662 /nfs/dbraw/zinc/04/66/62/488046662.db2.gz SSRZYIQHWDBMCO-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP COCC[N@H+](CCO)Cc1c[nH+]c2n1CCC2 ZINC000667590436 488053278 /nfs/dbraw/zinc/05/32/78/488053278.db2.gz VYRHWEKGOGMFIW-UHFFFAOYSA-N 2 2 239.319 0.270 20 0 BCADLP COCC[N@@H+](CCO)Cc1c[nH+]c2n1CCC2 ZINC000667590436 488053284 /nfs/dbraw/zinc/05/32/84/488053284.db2.gz VYRHWEKGOGMFIW-UHFFFAOYSA-N 2 2 239.319 0.270 20 0 BCADLP O=c1ccc(C[NH2+]CC[NH+]2CCCC2)c[nH]1 ZINC000236412608 488060043 /nfs/dbraw/zinc/06/00/43/488060043.db2.gz CPPXVIMNGKJVBJ-UHFFFAOYSA-N 2 2 221.304 0.560 20 0 BCADLP CCc1noc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000166213719 488060257 /nfs/dbraw/zinc/06/02/57/488060257.db2.gz LLERNUDTKLMGDS-RKDXNWHRSA-N 2 2 224.308 0.801 20 0 BCADLP CCc1noc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000166213719 488060263 /nfs/dbraw/zinc/06/02/63/488060263.db2.gz LLERNUDTKLMGDS-RKDXNWHRSA-N 2 2 224.308 0.801 20 0 BCADLP Cn1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000310109287 488069305 /nfs/dbraw/zinc/06/93/05/488069305.db2.gz DVNLRNHLSKINQX-AAEUAGOBSA-N 2 2 234.347 0.981 20 0 BCADLP Cn1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000310109287 488069311 /nfs/dbraw/zinc/06/93/11/488069311.db2.gz DVNLRNHLSKINQX-AAEUAGOBSA-N 2 2 234.347 0.981 20 0 BCADLP Cc1[nH+]ccn1CCNC(=O)C1([NH+](C)C)CC1 ZINC000667662553 488078413 /nfs/dbraw/zinc/07/84/13/488078413.db2.gz NGALKOATGXZRKT-UHFFFAOYSA-N 2 2 236.319 0.402 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@](C)(O)C2)n1C ZINC000667688196 488088222 /nfs/dbraw/zinc/08/82/22/488088222.db2.gz IPVDUAVIDNVQJJ-NSHDSACASA-N 2 2 209.293 0.685 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@](C)(O)C2)n1C ZINC000667688196 488088225 /nfs/dbraw/zinc/08/82/25/488088225.db2.gz IPVDUAVIDNVQJJ-NSHDSACASA-N 2 2 209.293 0.685 20 0 BCADLP C[NH+](C)C1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000682517602 488090071 /nfs/dbraw/zinc/09/00/71/488090071.db2.gz CHPQSVHTTXLPGH-SNVBAGLBSA-N 2 2 248.330 0.218 20 0 BCADLP Cn1ncc(C2CC2)c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000667713011 488098357 /nfs/dbraw/zinc/09/83/57/488098357.db2.gz VITFUZRJQXBKDH-TXEJJXNPSA-N 2 2 246.358 0.949 20 0 BCADLP Cn1ncc(C2CC2)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000667713011 488098360 /nfs/dbraw/zinc/09/83/60/488098360.db2.gz VITFUZRJQXBKDH-TXEJJXNPSA-N 2 2 246.358 0.949 20 0 BCADLP Cn1ncc(C2CC2)c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000667713010 488098595 /nfs/dbraw/zinc/09/85/95/488098595.db2.gz VITFUZRJQXBKDH-RYUDHWBXSA-N 2 2 246.358 0.949 20 0 BCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000092954799 488105087 /nfs/dbraw/zinc/10/50/87/488105087.db2.gz GWWBHKLCRNGUCT-NXEZZACHSA-N 2 2 236.319 0.377 20 0 BCADLP Cn1ncnc1CN1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674249650 487536792 /nfs/dbraw/zinc/53/67/92/487536792.db2.gz DBDBUQLKZJFGBT-NSHDSACASA-N 2 2 246.318 0.849 20 0 BCADLP Cn1ncnc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674249650 487536800 /nfs/dbraw/zinc/53/68/00/487536800.db2.gz DBDBUQLKZJFGBT-NSHDSACASA-N 2 2 246.318 0.849 20 0 BCADLP Cn1ncnc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674249650 487536805 /nfs/dbraw/zinc/53/68/05/487536805.db2.gz DBDBUQLKZJFGBT-NSHDSACASA-N 2 2 246.318 0.849 20 0 BCADLP C[C@@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[NH+](C)C ZINC000681755575 487538817 /nfs/dbraw/zinc/53/88/17/487538817.db2.gz VYUOPMLHPWOBKG-VHSXEESVSA-N 2 2 236.319 0.264 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccnn1C ZINC000168846357 487542903 /nfs/dbraw/zinc/54/29/03/487542903.db2.gz LOYDZAIQYIKBKW-UWVGGRQHSA-N 2 2 208.309 0.732 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccnn1C ZINC000168846357 487542912 /nfs/dbraw/zinc/54/29/12/487542912.db2.gz LOYDZAIQYIKBKW-UWVGGRQHSA-N 2 2 208.309 0.732 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C[C@H](O)C1CC1)C1CC1 ZINC000685566373 487548387 /nfs/dbraw/zinc/54/83/87/487548387.db2.gz MKQDHQBTSPGQDY-STQMWFEESA-N 2 2 242.363 0.144 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+](C)C[C@H](O)C1CC1)C1CC1 ZINC000685566373 487548390 /nfs/dbraw/zinc/54/83/90/487548390.db2.gz MKQDHQBTSPGQDY-STQMWFEESA-N 2 2 242.363 0.144 20 0 BCADLP C[NH+](C[C@H](O)C1CC1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000685566373 487548394 /nfs/dbraw/zinc/54/83/94/487548394.db2.gz MKQDHQBTSPGQDY-STQMWFEESA-N 2 2 242.363 0.144 20 0 BCADLP C[NH+](C[C@H](O)C1CC1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000685566373 487548396 /nfs/dbraw/zinc/54/83/96/487548396.db2.gz MKQDHQBTSPGQDY-STQMWFEESA-N 2 2 242.363 0.144 20 0 BCADLP CCO[C@@H]1C[N@H+](Cc2coc(C)n2)C[C@H]1C[NH3+] ZINC000405519818 487484796 /nfs/dbraw/zinc/48/47/96/487484796.db2.gz IPJIZVPNHPIDRR-ZYHUDNBSSA-N 2 2 239.319 0.779 20 0 BCADLP CCO[C@@H]1C[N@@H+](Cc2coc(C)n2)C[C@H]1C[NH3+] ZINC000405519818 487484801 /nfs/dbraw/zinc/48/48/01/487484801.db2.gz IPJIZVPNHPIDRR-ZYHUDNBSSA-N 2 2 239.319 0.779 20 0 BCADLP CCC[N@@H+]1CC[C@H](NCc2[nH]cc[nH+]2)C1 ZINC000393957288 487486548 /nfs/dbraw/zinc/48/65/48/487486548.db2.gz YAUQNOXWLCCLSQ-JTQLQIEISA-N 2 2 208.309 0.984 20 0 BCADLP CCC[N@H+]1CC[C@H](NCc2[nH]cc[nH+]2)C1 ZINC000393957288 487486552 /nfs/dbraw/zinc/48/65/52/487486552.db2.gz YAUQNOXWLCCLSQ-JTQLQIEISA-N 2 2 208.309 0.984 20 0 BCADLP C[C@H](O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000685000535 487489290 /nfs/dbraw/zinc/48/92/90/487489290.db2.gz RILRDZBKYUREBB-WDEREUQCSA-N 2 2 209.293 0.901 20 0 BCADLP C[C@H](O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000685000535 487489294 /nfs/dbraw/zinc/48/92/94/487489294.db2.gz RILRDZBKYUREBB-WDEREUQCSA-N 2 2 209.293 0.901 20 0 BCADLP COC[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000300059094 487500592 /nfs/dbraw/zinc/50/05/92/487500592.db2.gz ZXDHFJKFZGNLHZ-VXGBXAGGSA-N 2 2 228.336 0.333 20 0 BCADLP COC[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000300059094 487500596 /nfs/dbraw/zinc/50/05/96/487500596.db2.gz ZXDHFJKFZGNLHZ-VXGBXAGGSA-N 2 2 228.336 0.333 20 0 BCADLP C[NH2+][C@H]1CCC[N@H+](C[C@H](COC)OC)C1 ZINC000300369245 487511620 /nfs/dbraw/zinc/51/16/20/487511620.db2.gz CEESVVWUUPBLSY-WDEREUQCSA-N 2 2 216.325 0.332 20 0 BCADLP C[NH2+][C@H]1CCC[N@@H+](C[C@H](COC)OC)C1 ZINC000300369245 487511622 /nfs/dbraw/zinc/51/16/22/487511622.db2.gz CEESVVWUUPBLSY-WDEREUQCSA-N 2 2 216.325 0.332 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CC1([NH3+])CCC1 ZINC000094293645 487525564 /nfs/dbraw/zinc/52/55/64/487525564.db2.gz MZXMDMXVQRNTJC-SNVBAGLBSA-N 2 2 236.319 0.659 20 0 BCADLP C[N@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCC[NH+](C)C1 ZINC000259031279 488147021 /nfs/dbraw/zinc/14/70/21/488147021.db2.gz ZQWAMEQOZKOCPA-OLZOCXBDSA-N 3 2 225.380 0.870 20 0 BCADLP C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCC[NH+](C)C1 ZINC000259031279 488147028 /nfs/dbraw/zinc/14/70/28/488147028.db2.gz ZQWAMEQOZKOCPA-OLZOCXBDSA-N 3 2 225.380 0.870 20 0 BCADLP C[NH+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCC[N@H+](C)C1 ZINC000259031279 488147035 /nfs/dbraw/zinc/14/70/35/488147035.db2.gz ZQWAMEQOZKOCPA-OLZOCXBDSA-N 3 2 225.380 0.870 20 0 BCADLP C[NH+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCC[N@@H+](C)C1 ZINC000259031279 488147042 /nfs/dbraw/zinc/14/70/42/488147042.db2.gz ZQWAMEQOZKOCPA-OLZOCXBDSA-N 3 2 225.380 0.870 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC(N)=O)C1 ZINC000393920196 490040924 /nfs/dbraw/zinc/04/09/24/490040924.db2.gz GBKALCBABQXHDR-VHSXEESVSA-N 2 2 213.325 0.324 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC(N)=O)C1 ZINC000393920196 490040926 /nfs/dbraw/zinc/04/09/26/490040926.db2.gz GBKALCBABQXHDR-VHSXEESVSA-N 2 2 213.325 0.324 20 0 BCADLP Cc1nc2[nH]ccc2c(N2C[C@@H]3C[NH2+]C[C@H]3C2)[nH+]1 ZINC000674336554 487561485 /nfs/dbraw/zinc/56/14/85/487561485.db2.gz JBMKFJYAWXWWLM-UWVGGRQHSA-N 2 2 243.314 0.922 20 0 BCADLP c1nc2ccccn2c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000675246733 487683552 /nfs/dbraw/zinc/68/35/52/487683552.db2.gz VMKFTWJNTTUAPC-RYUDHWBXSA-N 2 2 242.326 0.986 20 0 BCADLP C[NH2+]Cc1cn(Cc2cn3ccccc3[nH+]2)nn1 ZINC000090295305 487927548 /nfs/dbraw/zinc/92/75/48/487927548.db2.gz RMUGSIGJARNMSF-UHFFFAOYSA-N 2 2 242.286 0.694 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)CC[NH2+]1 ZINC000663499575 488047641 /nfs/dbraw/zinc/04/76/41/488047641.db2.gz DFSCQTFGDACJSK-UZEXVOJHSA-N 3 2 209.337 0.469 20 0 BCADLP Cn1nccc1CC[N@@H+]1CCC[NH2+]CC1 ZINC000230745373 488150578 /nfs/dbraw/zinc/15/05/78/488150578.db2.gz PKFUWWYTCXXCDI-UHFFFAOYSA-N 2 2 208.309 0.258 20 0 BCADLP Cn1nccc1CC[N@H+]1CCC[NH2+]CC1 ZINC000230745373 488150580 /nfs/dbraw/zinc/15/05/80/488150580.db2.gz PKFUWWYTCXXCDI-UHFFFAOYSA-N 2 2 208.309 0.258 20 0 BCADLP CCn1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)nn1 ZINC000404419399 488157267 /nfs/dbraw/zinc/15/72/67/488157267.db2.gz BIWYJPVYJFXOEB-WDEREUQCSA-N 2 2 237.351 0.870 20 0 BCADLP CCn1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)nn1 ZINC000404419399 488157269 /nfs/dbraw/zinc/15/72/69/488157269.db2.gz BIWYJPVYJFXOEB-WDEREUQCSA-N 2 2 237.351 0.870 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000085358075 488163778 /nfs/dbraw/zinc/16/37/78/488163778.db2.gz IRYALHLGWDCINB-WDEREUQCSA-N 2 2 236.319 0.517 20 0 BCADLP O=C(C[C@H]1CSCC[NH2+]1)NCc1c[nH+]c[nH]1 ZINC000085614876 488190068 /nfs/dbraw/zinc/19/00/68/488190068.db2.gz OATJJLOGUSFYSA-QMMMGPOBSA-N 2 2 240.332 0.121 20 0 BCADLP O=C(C[C@H]1CSCC[NH2+]1)NCc1c[nH]c[nH+]1 ZINC000085614876 488190072 /nfs/dbraw/zinc/19/00/72/488190072.db2.gz OATJJLOGUSFYSA-QMMMGPOBSA-N 2 2 240.332 0.121 20 0 BCADLP CO[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000299901830 488194083 /nfs/dbraw/zinc/19/40/83/488194083.db2.gz BWJYYGZYJYYZQT-GHMZBOCLSA-N 2 2 214.309 0.086 20 0 BCADLP CO[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000299901830 488194087 /nfs/dbraw/zinc/19/40/87/488194087.db2.gz BWJYYGZYJYYZQT-GHMZBOCLSA-N 2 2 214.309 0.086 20 0 BCADLP COc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)sn1 ZINC000399024959 488227063 /nfs/dbraw/zinc/22/70/63/488227063.db2.gz HBNMJMAHGZXGAW-IUCAKERBSA-N 2 2 239.344 0.803 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c[nH+]1 ZINC000683903894 488242530 /nfs/dbraw/zinc/24/25/30/488242530.db2.gz KLBIBAXQHVZZGR-MWLCHTKSSA-N 2 2 236.319 0.931 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000672250495 488247993 /nfs/dbraw/zinc/24/79/93/488247993.db2.gz VDEVQCDLUGRTIQ-GFCCVEGCSA-N 2 2 239.363 0.680 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000672250495 488247994 /nfs/dbraw/zinc/24/79/94/488247994.db2.gz VDEVQCDLUGRTIQ-GFCCVEGCSA-N 2 2 239.363 0.680 20 0 BCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000672770113 488265828 /nfs/dbraw/zinc/26/58/28/488265828.db2.gz YJTAXRZEEQFUQX-SNVBAGLBSA-N 2 2 236.319 0.173 20 0 BCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000672770113 488265829 /nfs/dbraw/zinc/26/58/29/488265829.db2.gz YJTAXRZEEQFUQX-SNVBAGLBSA-N 2 2 236.319 0.173 20 0 BCADLP O=C(CCCn1cc[nH+]c1)NCCc1[nH]cc[nH+]1 ZINC000673666133 488301481 /nfs/dbraw/zinc/30/14/81/488301481.db2.gz CQQQEMMENZWKJM-UHFFFAOYSA-N 2 2 247.302 0.745 20 0 BCADLP C[NH+](C)CCCCC(=O)NCCc1[nH]cc[nH+]1 ZINC000673666390 488301629 /nfs/dbraw/zinc/30/16/29/488301629.db2.gz MVUMCENFMRSHGY-UHFFFAOYSA-N 2 2 238.335 0.800 20 0 BCADLP C[NH+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000673670609 488302058 /nfs/dbraw/zinc/30/20/58/488302058.db2.gz HIHOCGHZSOKURS-LLVKDONJSA-N 2 2 236.319 0.293 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000673667393 488302353 /nfs/dbraw/zinc/30/23/53/488302353.db2.gz XAUUUJYTTBGFES-LBPRGKRZSA-N 2 2 248.330 0.484 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000673667393 488302357 /nfs/dbraw/zinc/30/23/57/488302357.db2.gz XAUUUJYTTBGFES-LBPRGKRZSA-N 2 2 248.330 0.484 20 0 BCADLP CC[N@@H+]1CCN(Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000684619784 488333884 /nfs/dbraw/zinc/33/38/84/488333884.db2.gz OQXQJDMAOCVSAP-SNVBAGLBSA-N 2 2 208.309 0.936 20 0 BCADLP CC[N@H+]1CCN(Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000684619784 488333887 /nfs/dbraw/zinc/33/38/87/488333887.db2.gz OQXQJDMAOCVSAP-SNVBAGLBSA-N 2 2 208.309 0.936 20 0 BCADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cn[nH]c3)[C@H]2C1 ZINC000679364584 488347161 /nfs/dbraw/zinc/34/71/61/488347161.db2.gz HLYCEXSMESDVJP-RYUDHWBXSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cn[nH]c3)[C@H]2C1 ZINC000679364584 488347163 /nfs/dbraw/zinc/34/71/63/488347163.db2.gz HLYCEXSMESDVJP-RYUDHWBXSA-N 2 2 220.320 0.936 20 0 BCADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cn[nH]c3)[C@H]2C1 ZINC000679364584 488347165 /nfs/dbraw/zinc/34/71/65/488347165.db2.gz HLYCEXSMESDVJP-RYUDHWBXSA-N 2 2 220.320 0.936 20 0 BCADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cn[nH]c3)[C@H]2C1 ZINC000679364584 488347166 /nfs/dbraw/zinc/34/71/66/488347166.db2.gz HLYCEXSMESDVJP-RYUDHWBXSA-N 2 2 220.320 0.936 20 0 BCADLP CCc1nn(C)cc1C[NH2+]CC1([NH3+])CCC1 ZINC000666828784 490098182 /nfs/dbraw/zinc/09/81/82/490098182.db2.gz VBOASFMDUYGMGY-UHFFFAOYSA-N 2 2 222.336 0.954 20 0 BCADLP CCNC(=O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129718107 490164517 /nfs/dbraw/zinc/16/45/17/490164517.db2.gz FVNILHOZGYAYNX-ZJUUUORDSA-N 2 2 213.325 0.195 20 0 BCADLP CCNC(=O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129718107 490164521 /nfs/dbraw/zinc/16/45/21/490164521.db2.gz FVNILHOZGYAYNX-ZJUUUORDSA-N 2 2 213.325 0.195 20 0 BCADLP C[N@H+](CC1CCOCC1)C[C@@H]1C[NH2+]CCO1 ZINC000070650516 490230743 /nfs/dbraw/zinc/23/07/43/490230743.db2.gz FTNZTKJHSXQLIM-LBPRGKRZSA-N 2 2 228.336 0.333 20 0 BCADLP C[N@@H+](CC1CCOCC1)C[C@@H]1C[NH2+]CCO1 ZINC000070650516 490230749 /nfs/dbraw/zinc/23/07/49/490230749.db2.gz FTNZTKJHSXQLIM-LBPRGKRZSA-N 2 2 228.336 0.333 20 0 BCADLP CCc1noc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000252771097 490267928 /nfs/dbraw/zinc/26/79/28/490267928.db2.gz LLERNUDTKLMGDS-IUCAKERBSA-N 2 2 224.308 0.801 20 0 BCADLP CCCNC(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221785174 490425974 /nfs/dbraw/zinc/42/59/74/490425974.db2.gz BHVCQSJXUIUUJT-WDEREUQCSA-N 2 2 227.352 0.585 20 0 BCADLP CCCNC(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221785174 490425977 /nfs/dbraw/zinc/42/59/77/490425977.db2.gz BHVCQSJXUIUUJT-WDEREUQCSA-N 2 2 227.352 0.585 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1C[NH2+]CCO1 ZINC000126655916 490511253 /nfs/dbraw/zinc/51/12/53/490511253.db2.gz NFPZKPSPRYHUAE-GFCCVEGCSA-N 3 2 238.335 0.193 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1C[NH2+]CCO1 ZINC000126655916 490511260 /nfs/dbraw/zinc/51/12/60/490511260.db2.gz NFPZKPSPRYHUAE-GFCCVEGCSA-N 3 2 238.335 0.193 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CNCCO1 ZINC000126655916 490511264 /nfs/dbraw/zinc/51/12/64/490511264.db2.gz NFPZKPSPRYHUAE-GFCCVEGCSA-N 2 2 238.335 0.193 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CNCCO1 ZINC000126655916 490511269 /nfs/dbraw/zinc/51/12/69/490511269.db2.gz NFPZKPSPRYHUAE-GFCCVEGCSA-N 2 2 238.335 0.193 20 0 BCADLP Cc1nccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000131252503 490625673 /nfs/dbraw/zinc/62/56/73/490625673.db2.gz OUWSONNXSLQJEW-PHIMTYICSA-N 2 2 218.304 0.436 20 0 BCADLP Cc1nccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000131252503 490625678 /nfs/dbraw/zinc/62/56/78/490625678.db2.gz OUWSONNXSLQJEW-PHIMTYICSA-N 2 2 218.304 0.436 20 0 BCADLP CC(C)n1cc(C[NH2+]CCn2cc[nH+]c2)nn1 ZINC000289774640 490669457 /nfs/dbraw/zinc/66/94/57/490669457.db2.gz PLQCXRKSOATRAC-UHFFFAOYSA-N 2 2 234.307 0.845 20 0 BCADLP C[NH2+]CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000662399020 491099788 /nfs/dbraw/zinc/09/97/88/491099788.db2.gz YHPUYBQRIHYVMW-UHFFFAOYSA-N 2 2 246.314 0.982 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660652323 491103536 /nfs/dbraw/zinc/10/35/36/491103536.db2.gz IREDNRJRVAXPJD-CYBMUJFWSA-N 2 2 239.363 0.492 20 0 BCADLP CN(C)C(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660652323 491103538 /nfs/dbraw/zinc/10/35/38/491103538.db2.gz IREDNRJRVAXPJD-CYBMUJFWSA-N 2 2 239.363 0.492 20 0 BCADLP CN(C)C(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660652323 491103539 /nfs/dbraw/zinc/10/35/39/491103539.db2.gz IREDNRJRVAXPJD-CYBMUJFWSA-N 2 2 239.363 0.492 20 0 BCADLP CN(C)C(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660652323 491103541 /nfs/dbraw/zinc/10/35/41/491103541.db2.gz IREDNRJRVAXPJD-CYBMUJFWSA-N 2 2 239.363 0.492 20 0 BCADLP CC(C)(O)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625546804 491120418 /nfs/dbraw/zinc/12/04/18/491120418.db2.gz TWIQXIQNVSQAFE-UHFFFAOYSA-N 2 2 242.363 0.554 20 0 BCADLP C[N@H+](CC1C[NH+](C)C1)C[C@@H]1CNc2ccnn2C1 ZINC000668538749 491127355 /nfs/dbraw/zinc/12/73/55/491127355.db2.gz BRAFQHHSULCKDD-NSHDSACASA-N 2 2 249.362 0.418 20 0 BCADLP C[N@@H+](CC1C[NH+](C)C1)C[C@@H]1CNc2ccnn2C1 ZINC000668538749 491127356 /nfs/dbraw/zinc/12/73/56/491127356.db2.gz BRAFQHHSULCKDD-NSHDSACASA-N 2 2 249.362 0.418 20 0 BCADLP CN(Cc1c[nH+]c2n1CCC2)CC1C[NH+](C)C1 ZINC000668539415 491127423 /nfs/dbraw/zinc/12/74/23/491127423.db2.gz VMWIAPXIZMFVPK-UHFFFAOYSA-N 2 2 234.347 0.823 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)O)C[N@@H+]1C1CC1 ZINC000133448894 491154484 /nfs/dbraw/zinc/15/44/84/491154484.db2.gz MSZUQGNBGXSHNQ-ZJUUUORDSA-N 2 2 212.337 0.972 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)O)C[N@H+]1C1CC1 ZINC000133448894 491154485 /nfs/dbraw/zinc/15/44/85/491154485.db2.gz MSZUQGNBGXSHNQ-ZJUUUORDSA-N 2 2 212.337 0.972 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000134269228 491162621 /nfs/dbraw/zinc/16/26/21/491162621.db2.gz WSGZCMXVWPSGLY-VXGBXAGGSA-N 2 2 222.336 0.955 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000134269228 491162622 /nfs/dbraw/zinc/16/26/22/491162622.db2.gz WSGZCMXVWPSGLY-VXGBXAGGSA-N 2 2 222.336 0.955 20 0 BCADLP C[C@@H](C[NH+](C)C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493261091 533729361 /nfs/dbraw/zinc/72/93/61/533729361.db2.gz JOUHRAKZASTQKZ-MOVJSRMASA-N 2 2 222.292 0.489 20 0 BCADLP Cc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)n(C)n1 ZINC000400392624 533731852 /nfs/dbraw/zinc/73/18/52/533731852.db2.gz JGCAOWFOCWWCQA-ZYHUDNBSSA-N 2 2 222.336 0.959 20 0 BCADLP COC(=O)N1CC([NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000496623160 533932252 /nfs/dbraw/zinc/93/22/52/533932252.db2.gz LYSUAAREPWYXHS-KOLCDFICSA-N 2 2 241.335 0.557 20 0 BCADLP COC(=O)N1CC([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000496220110 533934703 /nfs/dbraw/zinc/93/47/03/533934703.db2.gz VNJLNGVAUFOXMB-WPRPVWTQSA-N 2 2 227.308 0.025 20 0 BCADLP CC[C@@]1(O)CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351618407 536085008 /nfs/dbraw/zinc/08/50/08/536085008.db2.gz GQLSPQYFVLGLDA-QWHCGFSZSA-N 2 2 242.363 0.288 20 0 BCADLP CC[C@@]1(O)CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351618407 536085010 /nfs/dbraw/zinc/08/50/10/536085010.db2.gz GQLSPQYFVLGLDA-QWHCGFSZSA-N 2 2 242.363 0.288 20 0 BCADLP CC[C@@]1(O)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351618407 536085011 /nfs/dbraw/zinc/08/50/11/536085011.db2.gz GQLSPQYFVLGLDA-QWHCGFSZSA-N 2 2 242.363 0.288 20 0 BCADLP CC[C@@]1(O)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351618407 536085012 /nfs/dbraw/zinc/08/50/12/536085012.db2.gz GQLSPQYFVLGLDA-QWHCGFSZSA-N 2 2 242.363 0.288 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493182634 534275606 /nfs/dbraw/zinc/27/56/06/534275606.db2.gz BPPCBRWXVXADCM-XKFHPXPTSA-N 2 2 248.330 0.974 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493182634 534275608 /nfs/dbraw/zinc/27/56/08/534275608.db2.gz BPPCBRWXVXADCM-XKFHPXPTSA-N 2 2 248.330 0.974 20 0 BCADLP CN(C)C(=O)C[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261539142 536166890 /nfs/dbraw/zinc/16/68/90/536166890.db2.gz BSBGPQHNRMJJCT-LLVKDONJSA-N 2 2 213.325 0.006 20 0 BCADLP CN(C)C(=O)C[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261539142 536166892 /nfs/dbraw/zinc/16/68/92/536166892.db2.gz BSBGPQHNRMJJCT-LLVKDONJSA-N 2 2 213.325 0.006 20 0 BCADLP C[C@@H](NC(=O)N(C)Cc1[nH]cc[nH+]1)[C@H](C)[NH3+] ZINC000892140942 582799199 /nfs/dbraw/zinc/79/91/99/582799199.db2.gz FQSHSBCMYUGORU-JGVFFNPUSA-N 2 2 225.296 0.287 20 0 BCADLP CC(=O)NC[C@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000261571605 534483331 /nfs/dbraw/zinc/48/33/31/534483331.db2.gz HPAVCIOEWNCPHM-MWLCHTKSSA-N 2 2 213.325 0.182 20 0 BCADLP CC(=O)NC[C@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000261571605 534483336 /nfs/dbraw/zinc/48/33/36/534483336.db2.gz HPAVCIOEWNCPHM-MWLCHTKSSA-N 2 2 213.325 0.182 20 0 BCADLP CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CC[NH3+])C1 ZINC000262984709 534503110 /nfs/dbraw/zinc/50/31/10/534503110.db2.gz MZAHFPVEKKIFKR-NSHDSACASA-N 2 2 241.379 0.819 20 0 BCADLP CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000262984709 534503115 /nfs/dbraw/zinc/50/31/15/534503115.db2.gz MZAHFPVEKKIFKR-NSHDSACASA-N 2 2 241.379 0.819 20 0 BCADLP O=C(/C=C/c1[nH]cc[nH+]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000493485847 534786334 /nfs/dbraw/zinc/78/63/34/534786334.db2.gz CJSSKCLALDQUPW-PGLGOXFNSA-N 2 2 246.314 0.730 20 0 BCADLP O=C(/C=C/c1[nH]cc[nH+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000493485847 534786342 /nfs/dbraw/zinc/78/63/42/534786342.db2.gz CJSSKCLALDQUPW-PGLGOXFNSA-N 2 2 246.314 0.730 20 0 BCADLP O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000493798143 534805264 /nfs/dbraw/zinc/80/52/64/534805264.db2.gz WCRHZAQQPIFIAJ-WYEHYUNLSA-N 2 2 246.314 0.776 20 0 BCADLP O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000493798143 534805270 /nfs/dbraw/zinc/80/52/70/534805270.db2.gz WCRHZAQQPIFIAJ-WYEHYUNLSA-N 2 2 246.314 0.776 20 0 BCADLP COCCOC[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000892441610 582887936 /nfs/dbraw/zinc/88/79/36/582887936.db2.gz PRNQZUULXUUNHZ-NSHDSACASA-N 2 2 227.308 0.524 20 0 BCADLP CCN(C)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400548505 527727837 /nfs/dbraw/zinc/72/78/37/527727837.db2.gz WROFPGGLKPQSFP-ZJUUUORDSA-N 2 2 213.325 0.195 20 0 BCADLP CC[N@@H+]1CC[C@H](NC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493076442 527837231 /nfs/dbraw/zinc/83/72/31/527837231.db2.gz XRWIEKFEFYWDNH-FSIBCCDJSA-N 2 2 234.303 0.633 20 0 BCADLP CC[N@H+]1CC[C@H](NC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493076442 527837233 /nfs/dbraw/zinc/83/72/33/527837233.db2.gz XRWIEKFEFYWDNH-FSIBCCDJSA-N 2 2 234.303 0.633 20 0 BCADLP CCN1C[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CC1=O ZINC000400336509 527992059 /nfs/dbraw/zinc/99/20/59/527992059.db2.gz GEMOXHIXGNWUQU-HBNTYKKESA-N 2 2 225.336 0.337 20 0 BCADLP CCC[NH+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492863824 528237563 /nfs/dbraw/zinc/23/75/63/528237563.db2.gz SUSZRTMNNNJLGI-ARJAWSKDSA-N 2 2 248.330 0.977 20 0 BCADLP CC(C)[C@@H](CO)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000308658712 528481465 /nfs/dbraw/zinc/48/14/65/528481465.db2.gz PDBZRTDKDNOHDZ-GMTAPVOTSA-N 2 2 200.326 0.543 20 0 BCADLP CC(C)[C@@H](CO)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000308658712 528481470 /nfs/dbraw/zinc/48/14/70/528481470.db2.gz PDBZRTDKDNOHDZ-GMTAPVOTSA-N 2 2 200.326 0.543 20 0 BCADLP CC(C)N1CCC[C@H]([N@@H+]2CCC[NH2+]CC2)C1=O ZINC000335342601 535178987 /nfs/dbraw/zinc/17/89/87/535178987.db2.gz XMXYYWIVKPJCPF-LBPRGKRZSA-N 2 2 239.363 0.681 20 0 BCADLP CC(C)N1CCC[C@H]([N@H+]2CCC[NH2+]CC2)C1=O ZINC000335342601 535178990 /nfs/dbraw/zinc/17/89/90/535178990.db2.gz XMXYYWIVKPJCPF-LBPRGKRZSA-N 2 2 239.363 0.681 20 0 BCADLP CC1(O)CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000088023531 535195506 /nfs/dbraw/zinc/19/55/06/535195506.db2.gz LGPGQNDJJNQFRU-UHFFFAOYSA-N 2 2 209.293 0.730 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261548595 535434783 /nfs/dbraw/zinc/43/47/83/535434783.db2.gz JSCCFAXUDVMGMN-NWDGAFQWSA-N 2 2 239.363 0.396 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261548595 535434787 /nfs/dbraw/zinc/43/47/87/535434787.db2.gz JSCCFAXUDVMGMN-NWDGAFQWSA-N 2 2 239.363 0.396 20 0 BCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)C1(C)C ZINC000261540996 535504078 /nfs/dbraw/zinc/50/40/78/535504078.db2.gz IDIVZZHGQCYSSU-SDDRHHMPSA-N 2 2 242.363 0.768 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163799520 535626543 /nfs/dbraw/zinc/62/65/43/535626543.db2.gz LBDWLDRIANBSRY-GARJFASQSA-N 2 2 228.336 0.855 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163799520 535626547 /nfs/dbraw/zinc/62/65/47/535626547.db2.gz LBDWLDRIANBSRY-GARJFASQSA-N 2 2 228.336 0.855 20 0 BCADLP CC[C@@H](O)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000367047712 535813590 /nfs/dbraw/zinc/81/35/90/535813590.db2.gz LXWRVMABNHBOFQ-QJPTWQEYSA-N 2 2 212.337 0.783 20 0 BCADLP CC[C@@H](O)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000367047712 535813591 /nfs/dbraw/zinc/81/35/91/535813591.db2.gz LXWRVMABNHBOFQ-QJPTWQEYSA-N 2 2 212.337 0.783 20 0 BCADLP CC[C@@H](O)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000367047712 535813592 /nfs/dbraw/zinc/81/35/92/535813592.db2.gz LXWRVMABNHBOFQ-QJPTWQEYSA-N 2 2 212.337 0.783 20 0 BCADLP CC[C@@H](O)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000367047712 535813593 /nfs/dbraw/zinc/81/35/93/535813593.db2.gz LXWRVMABNHBOFQ-QJPTWQEYSA-N 2 2 212.337 0.783 20 0 BCADLP CC[C@@H](O)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000367047713 535813622 /nfs/dbraw/zinc/81/36/22/535813622.db2.gz LXWRVMABNHBOFQ-TUAOUCFPSA-N 2 2 212.337 0.783 20 0 BCADLP CC[C@@H](O)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000367047713 535813623 /nfs/dbraw/zinc/81/36/23/535813623.db2.gz LXWRVMABNHBOFQ-TUAOUCFPSA-N 2 2 212.337 0.783 20 0 BCADLP CC[C@@H](O)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000367047713 535813624 /nfs/dbraw/zinc/81/36/24/535813624.db2.gz LXWRVMABNHBOFQ-TUAOUCFPSA-N 2 2 212.337 0.783 20 0 BCADLP CC[C@@H](O)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000367047713 535813625 /nfs/dbraw/zinc/81/36/25/535813625.db2.gz LXWRVMABNHBOFQ-TUAOUCFPSA-N 2 2 212.337 0.783 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250344394 535954421 /nfs/dbraw/zinc/95/44/21/535954421.db2.gz FHYHZIZHPBDJHO-RWMBFGLXSA-N 3 2 241.379 0.125 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250344394 535954425 /nfs/dbraw/zinc/95/44/25/535954425.db2.gz FHYHZIZHPBDJHO-RWMBFGLXSA-N 3 2 241.379 0.125 20 0 BCADLP CN(C)C(=O)C[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261539143 536166006 /nfs/dbraw/zinc/16/60/06/536166006.db2.gz BSBGPQHNRMJJCT-NSHDSACASA-N 2 2 213.325 0.006 20 0 BCADLP CN(C)C(=O)C[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261539143 536166009 /nfs/dbraw/zinc/16/60/09/536166009.db2.gz BSBGPQHNRMJJCT-NSHDSACASA-N 2 2 213.325 0.006 20 0 BCADLP CCn1c[nH+]cc1CN(C)CC1C[NH+](C)C1 ZINC000668539141 566301900 /nfs/dbraw/zinc/30/19/00/566301900.db2.gz MZKREURHLZNXSV-UHFFFAOYSA-N 2 2 222.336 0.896 20 0 BCADLP COCCOC[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000893354439 583120122 /nfs/dbraw/zinc/12/01/22/583120122.db2.gz KZETYDQZBYKMGW-OLZOCXBDSA-N 2 2 244.379 0.969 20 0 BCADLP COCCOC[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000893354439 583120124 /nfs/dbraw/zinc/12/01/24/583120124.db2.gz KZETYDQZBYKMGW-OLZOCXBDSA-N 2 2 244.379 0.969 20 0 BCADLP CC(=O)OC[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000893354534 583120583 /nfs/dbraw/zinc/12/05/83/583120583.db2.gz NENZNMHDVGYZLU-MNOVXSKESA-N 2 2 228.336 0.869 20 0 BCADLP CC[N@H+](CCO)Cc1c(C)cc[nH+]c1N ZINC000893870737 583235824 /nfs/dbraw/zinc/23/58/24/583235824.db2.gz BBFWCBULLUPVAA-UHFFFAOYSA-N 2 2 209.293 0.786 20 0 BCADLP CC[N@@H+](CCO)Cc1c(C)cc[nH+]c1N ZINC000893870737 583235827 /nfs/dbraw/zinc/23/58/27/583235827.db2.gz BBFWCBULLUPVAA-UHFFFAOYSA-N 2 2 209.293 0.786 20 0 BCADLP CC[NH+]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000854121023 588775469 /nfs/dbraw/zinc/77/54/69/588775469.db2.gz CHOXGBZKNRDMCD-UHFFFAOYSA-N 2 2 222.292 0.116 20 0 BCADLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ncccn1 ZINC000854226932 588780628 /nfs/dbraw/zinc/78/06/28/588780628.db2.gz FWOVOJCORSCCIQ-QWRGUYRKSA-N 2 2 220.320 0.954 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cc(C)nn1C ZINC000854232330 588781377 /nfs/dbraw/zinc/78/13/77/588781377.db2.gz PPBMYWPEJDJMJZ-ZJUUUORDSA-N 2 2 210.325 0.987 20 0 BCADLP CC[N@@H+]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000854423426 588786514 /nfs/dbraw/zinc/78/65/14/588786514.db2.gz VPUYGMBECRCVAR-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP CC[N@H+]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000854423426 588786515 /nfs/dbraw/zinc/78/65/15/588786515.db2.gz VPUYGMBECRCVAR-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000854600501 588796690 /nfs/dbraw/zinc/79/66/90/588796690.db2.gz WLXIGBICRRJWQF-VHSXEESVSA-N 2 2 234.303 0.115 20 0 BCADLP C[N@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000854600501 588796691 /nfs/dbraw/zinc/79/66/91/588796691.db2.gz WLXIGBICRRJWQF-VHSXEESVSA-N 2 2 234.303 0.115 20 0 BCADLP C[N@@H+]1C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000854600499 588796758 /nfs/dbraw/zinc/79/67/58/588796758.db2.gz WLXIGBICRRJWQF-NXEZZACHSA-N 2 2 234.303 0.115 20 0 BCADLP C[N@H+]1C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000854600499 588796759 /nfs/dbraw/zinc/79/67/59/588796759.db2.gz WLXIGBICRRJWQF-NXEZZACHSA-N 2 2 234.303 0.115 20 0 BCADLP C[NH+](C)C1(C(=O)N[C@H]2CCn3cc[nH+]c32)CC1 ZINC000854684750 588801100 /nfs/dbraw/zinc/80/11/00/588801100.db2.gz DNZIRDNASIWGDT-VIFPVBQESA-N 2 2 234.303 0.538 20 0 BCADLP CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854944277 588817656 /nfs/dbraw/zinc/81/76/56/588817656.db2.gz JHGWNJDLGRQKSD-VIFPVBQESA-N 2 2 222.292 0.163 20 0 BCADLP CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854944277 588817657 /nfs/dbraw/zinc/81/76/57/588817657.db2.gz JHGWNJDLGRQKSD-VIFPVBQESA-N 2 2 222.292 0.163 20 0 BCADLP CC(C)=CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855415870 588832093 /nfs/dbraw/zinc/83/20/93/588832093.db2.gz AIKMLOZJPPWBKN-UHFFFAOYSA-N 2 2 241.379 0.952 20 0 BCADLP CC(C)=CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855415870 588832094 /nfs/dbraw/zinc/83/20/94/588832094.db2.gz AIKMLOZJPPWBKN-UHFFFAOYSA-N 2 2 241.379 0.952 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cnn(C)n2)[C@H](C)C1 ZINC000806167366 582517838 /nfs/dbraw/zinc/51/78/38/582517838.db2.gz SQFAVGWIZIVLHQ-ZYHUDNBSSA-N 2 2 237.351 0.635 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cnn(C)n2)[C@H](C)C1 ZINC000806167366 582517839 /nfs/dbraw/zinc/51/78/39/582517839.db2.gz SQFAVGWIZIVLHQ-ZYHUDNBSSA-N 2 2 237.351 0.635 20 0 BCADLP C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000806936569 582653205 /nfs/dbraw/zinc/65/32/05/582653205.db2.gz ADMRYTIRCOGFCH-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000806936569 582653207 /nfs/dbraw/zinc/65/32/07/582653207.db2.gz ADMRYTIRCOGFCH-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)NCCC(C)(C)[NH3+] ZINC000891510148 582693648 /nfs/dbraw/zinc/69/36/48/582693648.db2.gz YUYSVCPHHCNASJ-UHFFFAOYSA-N 2 2 239.323 0.347 20 0 BCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000892200437 582807433 /nfs/dbraw/zinc/80/74/33/582807433.db2.gz QDLBHHCMRMKAHF-IUCAKERBSA-N 2 2 239.323 0.677 20 0 BCADLP CCN(CC)C(=[NH2+])NCC[NH+]1CCSCC1 ZINC000849005663 582822398 /nfs/dbraw/zinc/82/23/98/582822398.db2.gz ORWZOEMXJCOUKY-UHFFFAOYSA-N 2 2 244.408 0.901 20 0 BCADLP COCCOC[C@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000892665833 582945551 /nfs/dbraw/zinc/94/55/51/582945551.db2.gz VOZOVSHXWCPNFT-RYUDHWBXSA-N 2 2 230.352 0.722 20 0 BCADLP COCCOC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000892665833 582945554 /nfs/dbraw/zinc/94/55/54/582945554.db2.gz VOZOVSHXWCPNFT-RYUDHWBXSA-N 2 2 230.352 0.722 20 0 BCADLP O[C@H]1C[C@@H]([NH2+]CC[NH+]2CCCC2)C12CCC2 ZINC000852585602 583015362 /nfs/dbraw/zinc/01/53/62/583015362.db2.gz ILJGOMLVAKMUFG-NEPJUHHUSA-N 2 2 224.348 0.975 20 0 BCADLP O[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c[nH]2)C12CCC2 ZINC000852583353 583015425 /nfs/dbraw/zinc/01/54/25/583015425.db2.gz UWSOEXSBLZAGOE-VHSXEESVSA-N 2 2 207.277 0.803 20 0 BCADLP c1c[nH+]c(N2CC[NH+](CC3CC3)CC2)[nH]1 ZINC000395120805 583041972 /nfs/dbraw/zinc/04/19/72/583041972.db2.gz GMRMEQYKJQULRM-UHFFFAOYSA-N 2 2 206.293 0.942 20 0 BCADLP CC(=O)OC[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000893354534 583120580 /nfs/dbraw/zinc/12/05/80/583120580.db2.gz NENZNMHDVGYZLU-MNOVXSKESA-N 2 2 228.336 0.869 20 0 BCADLP CC(=O)OC[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000893707813 583207594 /nfs/dbraw/zinc/20/75/94/583207594.db2.gz YTBXCDNQTZYLHB-KOLCDFICSA-N 2 2 237.303 0.739 20 0 BCADLP Cc1cc[nH+]c(N)c1CN1CC[NH+](C)CC1 ZINC000893863531 583234618 /nfs/dbraw/zinc/23/46/18/583234618.db2.gz FPDDPTGWKRKVDM-UHFFFAOYSA-N 2 2 220.320 0.720 20 0 BCADLP Cc1ncoc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000894098385 583303212 /nfs/dbraw/zinc/30/32/12/583303212.db2.gz ZVRCPYPYZVQUMM-AOOOYVTPSA-N 2 2 207.277 0.634 20 0 BCADLP Cc1ncoc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000894098385 583303213 /nfs/dbraw/zinc/30/32/13/583303213.db2.gz ZVRCPYPYZVQUMM-AOOOYVTPSA-N 2 2 207.277 0.634 20 0 BCADLP C[N@@H+]1CC[C@H]2CN(Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC000877744725 583345698 /nfs/dbraw/zinc/34/56/98/583345698.db2.gz XGZCYTJFBXAWIL-QWRGUYRKSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@H+]1CC[C@H]2CN(Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC000877744725 583345700 /nfs/dbraw/zinc/34/57/00/583345700.db2.gz XGZCYTJFBXAWIL-QWRGUYRKSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@@H+]1CC[C@@H]2CN(Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC000877744723 583346257 /nfs/dbraw/zinc/34/62/57/583346257.db2.gz XGZCYTJFBXAWIL-GHMZBOCLSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@H+]1CC[C@@H]2CN(Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC000877744723 583346261 /nfs/dbraw/zinc/34/62/61/583346261.db2.gz XGZCYTJFBXAWIL-GHMZBOCLSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2CCC2=O)C1 ZINC000857235932 588900070 /nfs/dbraw/zinc/90/00/70/588900070.db2.gz VNTADMFTXQUWJJ-NWDGAFQWSA-N 2 2 237.347 0.592 20 0 BCADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2CCC2=O)C1 ZINC000857235932 588900071 /nfs/dbraw/zinc/90/00/71/588900071.db2.gz VNTADMFTXQUWJJ-NWDGAFQWSA-N 2 2 237.347 0.592 20 0 BCADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CN2CCC2=O)C1 ZINC000857235932 588900072 /nfs/dbraw/zinc/90/00/72/588900072.db2.gz VNTADMFTXQUWJJ-NWDGAFQWSA-N 2 2 237.347 0.592 20 0 BCADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CN2CCC2=O)C1 ZINC000857235932 588900073 /nfs/dbraw/zinc/90/00/73/588900073.db2.gz VNTADMFTXQUWJJ-NWDGAFQWSA-N 2 2 237.347 0.592 20 0 BCADLP CC[S@](=O)CC[NH2+]Cc1c(C)cc[nH+]c1N ZINC000894260841 583399473 /nfs/dbraw/zinc/39/94/73/583399473.db2.gz OTMAKDJIQSQKDR-INIZCTEOSA-N 2 2 241.360 0.830 20 0 BCADLP C[C@H]1CC[N@H+](CN2CCC2=O)C[C@H]1n1cc[nH+]c1 ZINC000857235232 588898795 /nfs/dbraw/zinc/89/87/95/588898795.db2.gz PQDVEMAFCJUPKK-NWDGAFQWSA-N 2 2 248.330 0.956 20 0 BCADLP C[C@H]1CC[N@@H+](CN2CCC2=O)C[C@H]1n1cc[nH+]c1 ZINC000857235232 588898797 /nfs/dbraw/zinc/89/87/97/588898797.db2.gz PQDVEMAFCJUPKK-NWDGAFQWSA-N 2 2 248.330 0.956 20 0 BCADLP CON(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879582285 583440557 /nfs/dbraw/zinc/44/05/57/583440557.db2.gz RDOQOJGTRWWYGP-QWRGUYRKSA-N 2 2 241.335 0.032 20 0 BCADLP CON(C)C(=O)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879582285 583440558 /nfs/dbraw/zinc/44/05/58/583440558.db2.gz RDOQOJGTRWWYGP-QWRGUYRKSA-N 2 2 241.335 0.032 20 0 BCADLP CON(C)C(=O)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879582285 583440562 /nfs/dbraw/zinc/44/05/62/583440562.db2.gz RDOQOJGTRWWYGP-QWRGUYRKSA-N 2 2 241.335 0.032 20 0 BCADLP CON(C)C(=O)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879582285 583440565 /nfs/dbraw/zinc/44/05/65/583440565.db2.gz RDOQOJGTRWWYGP-QWRGUYRKSA-N 2 2 241.335 0.032 20 0 BCADLP C[N@@H+]1CCOC[C@H]1CNc1nccn2c[nH+]cc12 ZINC000894762154 583518142 /nfs/dbraw/zinc/51/81/42/583518142.db2.gz ZMEOVJAQXSNUGJ-SNVBAGLBSA-N 2 2 247.302 0.472 20 0 BCADLP C[N@H+]1CCOC[C@H]1CNc1nccn2c[nH+]cc12 ZINC000894762154 583518143 /nfs/dbraw/zinc/51/81/43/583518143.db2.gz ZMEOVJAQXSNUGJ-SNVBAGLBSA-N 2 2 247.302 0.472 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000894838487 583529334 /nfs/dbraw/zinc/52/93/34/583529334.db2.gz PTIGPRFNUMZJQQ-GDNZZTSVSA-N 2 2 233.315 0.642 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000894838487 583529336 /nfs/dbraw/zinc/52/93/36/583529336.db2.gz PTIGPRFNUMZJQQ-GDNZZTSVSA-N 2 2 233.315 0.642 20 0 BCADLP COCCOC[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000894843806 583530541 /nfs/dbraw/zinc/53/05/41/583530541.db2.gz RBTDWBHQDSQYNW-NSHDSACASA-N 2 2 241.335 0.604 20 0 BCADLP c1[nH+]c2n(c1C[NH2+]C[C@@H]1COCO1)CCC2 ZINC000894888272 583547362 /nfs/dbraw/zinc/54/73/62/583547362.db2.gz JZYHZWCVDQNGQK-SNVBAGLBSA-N 2 2 223.276 0.292 20 0 BCADLP CC[C@H]1C[N@H+](CCS(=O)(=O)CC)CC[C@@H]1[NH3+] ZINC000147527529 583577410 /nfs/dbraw/zinc/57/74/10/583577410.db2.gz ZKRSUBGAHWJCMI-QWRGUYRKSA-N 2 2 248.392 0.480 20 0 BCADLP CC[C@H]1C[N@@H+](CCS(=O)(=O)CC)CC[C@@H]1[NH3+] ZINC000147527529 583577412 /nfs/dbraw/zinc/57/74/12/583577412.db2.gz ZKRSUBGAHWJCMI-QWRGUYRKSA-N 2 2 248.392 0.480 20 0 BCADLP CC[C@@H](C[NH2+]Cc1c[nH+]c[nH]1)C(=O)OC ZINC000895127534 583598454 /nfs/dbraw/zinc/59/84/54/583598454.db2.gz MATLBXRLBWYHCX-QMMMGPOBSA-N 2 2 211.265 0.699 20 0 BCADLP O=C1C[C@H](C[NH2+]Cc2c[nH+]c[nH]2)CN1C1CC1 ZINC000895146916 583604909 /nfs/dbraw/zinc/60/49/09/583604909.db2.gz NFKXQMKBOIFMRB-SECBINFHSA-N 2 2 234.303 0.510 20 0 BCADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)C1N=NC(=O)N1C ZINC000895177413 583616342 /nfs/dbraw/zinc/61/63/42/583616342.db2.gz RTBSJLKTSYEDIC-QMMMGPOBSA-N 2 2 239.323 0.266 20 0 BCADLP CC1(C)CNC(=O)[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000895321292 583649535 /nfs/dbraw/zinc/64/95/35/583649535.db2.gz MHRHFSSKINAROR-LLVKDONJSA-N 2 2 248.330 0.444 20 0 BCADLP Cc1cc(CO)cc(NC[C@H]2CC[N@H+]2C)[nH+]1 ZINC000895769280 583724252 /nfs/dbraw/zinc/72/42/52/583724252.db2.gz QNRXDGANHPYVJZ-LLVKDONJSA-N 2 2 221.304 0.998 20 0 BCADLP Cc1cc(CO)cc(NC[C@H]2CC[N@@H+]2C)[nH+]1 ZINC000895769280 583724253 /nfs/dbraw/zinc/72/42/53/583724253.db2.gz QNRXDGANHPYVJZ-LLVKDONJSA-N 2 2 221.304 0.998 20 0 BCADLP CN(C)c1cc[nH+]c(NC[C@H]2CC[N@@H+]2C)n1 ZINC000895771855 583725188 /nfs/dbraw/zinc/72/51/88/583725188.db2.gz RAOWZLLJAGGMNF-SECBINFHSA-N 2 2 221.308 0.659 20 0 BCADLP CN(C)c1cc[nH+]c(NC[C@H]2CC[N@H+]2C)n1 ZINC000895771855 583725189 /nfs/dbraw/zinc/72/51/89/583725189.db2.gz RAOWZLLJAGGMNF-SECBINFHSA-N 2 2 221.308 0.659 20 0 BCADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCn3c[nH+]cc32)C1 ZINC000857978740 588925677 /nfs/dbraw/zinc/92/56/77/588925677.db2.gz JQLXKKHDRLSIGY-UWVGGRQHSA-N 2 2 234.303 0.396 20 0 BCADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCn3c[nH+]cc32)C1 ZINC000857978740 588925678 /nfs/dbraw/zinc/92/56/78/588925678.db2.gz JQLXKKHDRLSIGY-UWVGGRQHSA-N 2 2 234.303 0.396 20 0 BCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCn3c[nH+]cc32)C1 ZINC000857978742 588925972 /nfs/dbraw/zinc/92/59/72/588925972.db2.gz JQLXKKHDRLSIGY-ZJUUUORDSA-N 2 2 234.303 0.396 20 0 BCADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCn3c[nH+]cc32)C1 ZINC000857978742 588925973 /nfs/dbraw/zinc/92/59/73/588925973.db2.gz JQLXKKHDRLSIGY-ZJUUUORDSA-N 2 2 234.303 0.396 20 0 BCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCn3c[nH+]cc32)CC[N@@H+]1C ZINC000857976245 588926179 /nfs/dbraw/zinc/92/61/79/588926179.db2.gz AHRQSUFPVMIIGP-MXWKQRLJSA-N 2 2 248.330 0.784 20 0 BCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCn3c[nH+]cc32)CC[N@H+]1C ZINC000857976245 588926181 /nfs/dbraw/zinc/92/61/81/588926181.db2.gz AHRQSUFPVMIIGP-MXWKQRLJSA-N 2 2 248.330 0.784 20 0 BCADLP COCC1C[NH+](Cc2c[nH+]c(C)n2C)C1 ZINC000895974289 583756852 /nfs/dbraw/zinc/75/68/52/583756852.db2.gz DUYNALGSVVSOQZ-UHFFFAOYSA-N 2 2 209.293 0.807 20 0 BCADLP CC[N@H+](CC(=O)N[C@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857981302 588927900 /nfs/dbraw/zinc/92/79/00/588927900.db2.gz ZFZVNZRPSWDOHA-NSHDSACASA-N 2 2 248.330 0.928 20 0 BCADLP CC[N@@H+](CC(=O)N[C@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857981302 588927901 /nfs/dbraw/zinc/92/79/01/588927901.db2.gz ZFZVNZRPSWDOHA-NSHDSACASA-N 2 2 248.330 0.928 20 0 BCADLP CCO[C@H](C[NH2+][C@H](C)COC(C)=O)C[NH+](C)C ZINC000896878412 583844306 /nfs/dbraw/zinc/84/43/06/583844306.db2.gz PQDQBHNUIMIJLA-ZYHUDNBSSA-N 2 2 246.351 0.494 20 0 BCADLP CCO[C@H](C[NH2+][C@@H](C)COC(C)=O)C[NH+](C)C ZINC000896878408 583844545 /nfs/dbraw/zinc/84/45/45/583844545.db2.gz PQDQBHNUIMIJLA-CMPLNLGQSA-N 2 2 246.351 0.494 20 0 BCADLP CCO[C@@H](C[NH2+]C1CSC1)C[NH+](C)C ZINC000896879921 583845071 /nfs/dbraw/zinc/84/50/71/583845071.db2.gz IUKSIILYPRKKSD-JTQLQIEISA-N 2 2 218.366 0.658 20 0 BCADLP CON(C)C(=O)[C@@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000858323942 588945403 /nfs/dbraw/zinc/94/54/03/588945403.db2.gz PESZQDBTPYJOOM-MRVPVSSYSA-N 2 2 240.307 0.226 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)CO1 ZINC000865658981 584026211 /nfs/dbraw/zinc/02/62/11/584026211.db2.gz BNPXSIXQBBINFJ-WOPDTQHZSA-N 2 2 242.363 0.599 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)CO1 ZINC000865658981 584026212 /nfs/dbraw/zinc/02/62/12/584026212.db2.gz BNPXSIXQBBINFJ-WOPDTQHZSA-N 2 2 242.363 0.599 20 0 BCADLP C[C@@H]1C[N@H+](Cc2c[nH+]c3n2CCC3)C[C@H]1O ZINC000897679410 584037200 /nfs/dbraw/zinc/03/72/00/584037200.db2.gz KDQVMXDUYLHNFB-MWLCHTKSSA-N 2 2 221.304 0.642 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2c[nH+]c3n2CCC3)C[C@H]1O ZINC000897679410 584037202 /nfs/dbraw/zinc/03/72/02/584037202.db2.gz KDQVMXDUYLHNFB-MWLCHTKSSA-N 2 2 221.304 0.642 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@]2(C)CCNC2=O)n1C ZINC000897867752 584055407 /nfs/dbraw/zinc/05/54/07/584055407.db2.gz AKOUUJLGFIXCGC-LLVKDONJSA-N 2 2 222.292 0.097 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CC(CCO)C1 ZINC000898008816 584070961 /nfs/dbraw/zinc/07/09/61/584070961.db2.gz VVPDLKHXYICVID-XKGSQUFQSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CC(CCO)C1 ZINC000898008816 584070963 /nfs/dbraw/zinc/07/09/63/584070963.db2.gz VVPDLKHXYICVID-XKGSQUFQSA-N 2 2 212.337 0.687 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C2CC(CCO)C2)n1C ZINC000898016156 584074682 /nfs/dbraw/zinc/07/46/82/584074682.db2.gz YPWAGNHROVHYFV-UHFFFAOYSA-N 2 2 223.320 0.979 20 0 BCADLP C[C@H]1CC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000858468853 588957843 /nfs/dbraw/zinc/95/78/43/588957843.db2.gz MKKHICVXGWUENH-TUAOUCFPSA-N 2 2 239.363 0.714 20 0 BCADLP C[C@H]1CC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000858468853 588957844 /nfs/dbraw/zinc/95/78/44/588957844.db2.gz MKKHICVXGWUENH-TUAOUCFPSA-N 2 2 239.363 0.714 20 0 BCADLP C[C@@H]1CC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000858468857 588957908 /nfs/dbraw/zinc/95/79/08/588957908.db2.gz MKKHICVXGWUENH-WOPDTQHZSA-N 2 2 239.363 0.714 20 0 BCADLP C[C@@H]1CC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000858468857 588957909 /nfs/dbraw/zinc/95/79/09/588957909.db2.gz MKKHICVXGWUENH-WOPDTQHZSA-N 2 2 239.363 0.714 20 0 BCADLP COC(=O)C1=CC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000858474106 588958285 /nfs/dbraw/zinc/95/82/85/588958285.db2.gz VHEQMKVVJUCXRM-ZMLRMANQSA-N 2 2 238.331 0.788 20 0 BCADLP COC(=O)C1=CC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000858474106 588958287 /nfs/dbraw/zinc/95/82/87/588958287.db2.gz VHEQMKVVJUCXRM-ZMLRMANQSA-N 2 2 238.331 0.788 20 0 BCADLP C[C@H](NC(=[NH2+])NCCc1cn(C)c[nH+]1)C1CC1 ZINC000899272425 584192089 /nfs/dbraw/zinc/19/20/89/584192089.db2.gz GOAQDPIOYFXGDG-VIFPVBQESA-N 2 2 235.335 0.875 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000858549713 588964898 /nfs/dbraw/zinc/96/48/98/588964898.db2.gz ZTAQQDOEPXFVGM-JHJVBQTASA-N 2 2 224.348 0.831 20 0 BCADLP O[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000858549713 588964899 /nfs/dbraw/zinc/96/48/99/588964899.db2.gz ZTAQQDOEPXFVGM-JHJVBQTASA-N 2 2 224.348 0.831 20 0 BCADLP Cc1cc(C)[nH+]c(Cn2nnnc2C[NH3+])c1 ZINC000899633408 584221444 /nfs/dbraw/zinc/22/14/44/584221444.db2.gz XCJGSMREDVZCQE-UHFFFAOYSA-N 2 2 218.264 0.192 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000858602450 588968937 /nfs/dbraw/zinc/96/89/37/588968937.db2.gz ZTAQQDOEPXFVGM-RWMBFGLXSA-N 2 2 224.348 0.831 20 0 BCADLP O[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000858602450 588968939 /nfs/dbraw/zinc/96/89/39/588968939.db2.gz ZTAQQDOEPXFVGM-RWMBFGLXSA-N 2 2 224.348 0.831 20 0 BCADLP CC[NH+](CC)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000899932708 584257222 /nfs/dbraw/zinc/25/72/22/584257222.db2.gz WRINTXAZPQDXPL-UHFFFAOYSA-N 2 2 238.335 0.800 20 0 BCADLP CC[NH+](CC)CCCNC(=O)Cc1c[nH+]c[nH]1 ZINC000899932708 584257224 /nfs/dbraw/zinc/25/72/24/584257224.db2.gz WRINTXAZPQDXPL-UHFFFAOYSA-N 2 2 238.335 0.800 20 0 BCADLP CON(C)C(=O)[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000858587711 588969682 /nfs/dbraw/zinc/96/96/82/588969682.db2.gz VVVCLZBORGFMBM-HBNTYKKESA-N 2 2 243.351 0.467 20 0 BCADLP CON(C)C(=O)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000858587711 588969683 /nfs/dbraw/zinc/96/96/83/588969683.db2.gz VVVCLZBORGFMBM-HBNTYKKESA-N 2 2 243.351 0.467 20 0 BCADLP CC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC000900699875 584342534 /nfs/dbraw/zinc/34/25/34/584342534.db2.gz OCKCKJIKCAIIRD-UHFFFAOYSA-N 2 2 238.335 0.799 20 0 BCADLP CC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC000900699875 584342535 /nfs/dbraw/zinc/34/25/35/584342535.db2.gz OCKCKJIKCAIIRD-UHFFFAOYSA-N 2 2 238.335 0.799 20 0 BCADLP CC[N@H+](CCNC(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC000900699875 584342537 /nfs/dbraw/zinc/34/25/37/584342537.db2.gz OCKCKJIKCAIIRD-UHFFFAOYSA-N 2 2 238.335 0.799 20 0 BCADLP CC[N@@H+](CCNC(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC000900699875 584342539 /nfs/dbraw/zinc/34/25/39/584342539.db2.gz OCKCKJIKCAIIRD-UHFFFAOYSA-N 2 2 238.335 0.799 20 0 BCADLP C[C@@H]1CN(C(=O)CNc2cccc[nH+]2)CC[N@@H+]1C ZINC000900849024 584357343 /nfs/dbraw/zinc/35/73/43/584357343.db2.gz WCSTWFZMCKOOTI-LLVKDONJSA-N 2 2 248.330 0.656 20 0 BCADLP C[C@@H]1CN(C(=O)CNc2cccc[nH+]2)CC[N@H+]1C ZINC000900849024 584357346 /nfs/dbraw/zinc/35/73/46/584357346.db2.gz WCSTWFZMCKOOTI-LLVKDONJSA-N 2 2 248.330 0.656 20 0 BCADLP CN(CCC[NH+](C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC000901327842 584423825 /nfs/dbraw/zinc/42/38/25/584423825.db2.gz WEJLQFXGCFMJJM-UHFFFAOYSA-N 2 2 224.308 0.362 20 0 BCADLP CCn1c[nH+]c(CNC[C@H](C)[NH+](C)C)c1 ZINC000902193807 584536458 /nfs/dbraw/zinc/53/64/58/584536458.db2.gz BZDUNZGCZWOSNW-JTQLQIEISA-N 2 2 210.325 0.943 20 0 BCADLP CC[NH2+]CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902390308 584581111 /nfs/dbraw/zinc/58/11/11/584581111.db2.gz JPSOJSDTSYESEM-NSHDSACASA-N 3 2 213.369 0.964 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902398918 584585884 /nfs/dbraw/zinc/58/58/84/584585884.db2.gz LYIKISKLEISASZ-QWRGUYRKSA-N 3 2 213.369 0.962 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902398917 584585924 /nfs/dbraw/zinc/58/59/24/584585924.db2.gz LYIKISKLEISASZ-MNOVXSKESA-N 3 2 213.369 0.962 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCON ZINC000902418815 584591966 /nfs/dbraw/zinc/59/19/66/584591966.db2.gz NMGJFYQZFUIEEL-ONGXEEELSA-N 2 2 213.325 0.339 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCON ZINC000902418815 584591969 /nfs/dbraw/zinc/59/19/69/584591969.db2.gz NMGJFYQZFUIEEL-ONGXEEELSA-N 2 2 213.325 0.339 20 0 BCADLP COC[C@@H](CCC[NH3+])[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902440827 584597009 /nfs/dbraw/zinc/59/70/09/584597009.db2.gz APBPXNRDBSSDRY-MNOVXSKESA-N 3 2 229.368 0.328 20 0 BCADLP C[C@@H](Cc1cnccn1)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902443256 584598255 /nfs/dbraw/zinc/59/82/55/584598255.db2.gz KWSCTGVNHULJHT-JQWIXIFHSA-N 2 2 234.347 0.995 20 0 BCADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cnn(CCF)c1 ZINC000902447037 584604339 /nfs/dbraw/zinc/60/43/39/584604339.db2.gz QNQQFPBBRMUQPL-WDEREUQCSA-N 2 2 226.299 0.822 20 0 BCADLP CCOC[C@H](C)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902448373 584605830 /nfs/dbraw/zinc/60/58/30/584605830.db2.gz DPDKZXAXOHYUAX-VHSXEESVSA-N 2 2 200.326 0.999 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902449751 584606132 /nfs/dbraw/zinc/60/61/32/584606132.db2.gz PUWJFGFFRCAPRJ-BBBLOLIVSA-N 2 2 200.326 0.997 20 0 BCADLP C[C@H](NCc1cn(C)c[nH+]1)[C@@H]1CCC[NH2+]1 ZINC000902459598 584610848 /nfs/dbraw/zinc/61/08/48/584610848.db2.gz CVDTWMIPKLGADM-ONGXEEELSA-N 2 2 208.309 0.650 20 0 BCADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461730 584611240 /nfs/dbraw/zinc/61/12/40/584611240.db2.gz QJSIYTCAYOTOKK-KIJLLGNVSA-N 3 2 223.364 0.857 20 0 BCADLP CC1(C)CCC[C@H](C[NH2+][C@H]2C[NH2+]CCOC2)O1 ZINC000902460870 584611417 /nfs/dbraw/zinc/61/14/17/584611417.db2.gz JRFYNECGWHLWEI-NWDGAFQWSA-N 2 2 242.363 0.912 20 0 BCADLP CC1(C)CCC[C@@H](C[NH2+][C@H]2C[NH2+]CCOC2)O1 ZINC000902460871 584611461 /nfs/dbraw/zinc/61/14/61/584611461.db2.gz JRFYNECGWHLWEI-RYUDHWBXSA-N 2 2 242.363 0.912 20 0 BCADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902460596 584611483 /nfs/dbraw/zinc/61/14/83/584611483.db2.gz HLCMVSWISFISSM-KIJLLGNVSA-N 3 2 223.364 0.986 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461255 584611509 /nfs/dbraw/zinc/61/15/09/584611509.db2.gz NFKNZTYZHMWRSZ-PREPNJAASA-N 3 2 209.337 0.596 20 0 BCADLP c1cn2c([nH+]1)[C@H](N[C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)CC2 ZINC000902461285 584611722 /nfs/dbraw/zinc/61/17/22/584611722.db2.gz NRXHYLHHNRBSAP-LNFKQOIKSA-N 2 2 218.304 0.810 20 0 BCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cn(C)cn1 ZINC000902462971 584612424 /nfs/dbraw/zinc/61/24/24/584612424.db2.gz YGVFKBIAHPWDJW-QWRGUYRKSA-N 2 2 238.335 0.277 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466813 584614306 /nfs/dbraw/zinc/61/43/06/584614306.db2.gz NFKNZTYZHMWRSZ-KZZRWZIVSA-N 3 2 209.337 0.596 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466815 584614915 /nfs/dbraw/zinc/61/49/15/584614915.db2.gz NFKNZTYZHMWRSZ-MTVMDMGHSA-N 3 2 209.337 0.596 20 0 BCADLP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1csc(N)n1 ZINC000902499228 584619773 /nfs/dbraw/zinc/61/97/73/584619773.db2.gz IMNHZIHLMKVNBQ-NKWVEPMBSA-N 2 2 214.338 0.941 20 0 BCADLP C(C[NH+]1CCCC1)[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903059440 584722855 /nfs/dbraw/zinc/72/28/55/584722855.db2.gz XOYLMRDMOVRAAM-STQMWFEESA-N 2 2 240.347 0.620 20 0 BCADLP C[NH+](C)CC[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903172120 584732544 /nfs/dbraw/zinc/73/25/44/584732544.db2.gz VUZDBDYNSLMXAH-QWRGUYRKSA-N 2 2 214.309 0.086 20 0 BCADLP COC[C@@H](C[N@H+](CC[NH3+])CCO)C(C)C ZINC000903448681 584771288 /nfs/dbraw/zinc/77/12/88/584771288.db2.gz JCLXSWMCEPSEFS-LLVKDONJSA-N 2 2 218.341 0.158 20 0 BCADLP COC[C@@H](C[N@@H+](CC[NH3+])CCO)C(C)C ZINC000903448681 584771289 /nfs/dbraw/zinc/77/12/89/584771289.db2.gz JCLXSWMCEPSEFS-LLVKDONJSA-N 2 2 218.341 0.158 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CCN1C ZINC000903324977 584747233 /nfs/dbraw/zinc/74/72/33/584747233.db2.gz WNPKMCVCUFUGDF-RAIGVLPGSA-N 2 2 223.364 0.763 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CCN1C ZINC000903324977 584747235 /nfs/dbraw/zinc/74/72/35/584747235.db2.gz WNPKMCVCUFUGDF-RAIGVLPGSA-N 2 2 223.364 0.763 20 0 BCADLP CN(C)C(=O)C1CC[NH+](C[C@H]2CCC[NH2+]2)CC1 ZINC000903426753 584761163 /nfs/dbraw/zinc/76/11/63/584761163.db2.gz MQUMCGOXHLIHCW-GFCCVEGCSA-N 2 2 239.363 0.539 20 0 BCADLP CC(C)[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903434363 584762405 /nfs/dbraw/zinc/76/24/05/584762405.db2.gz DWUMZHYMDVRREJ-GRYCIOLGSA-N 2 2 239.363 0.298 20 0 BCADLP CC(C)[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903434363 584762406 /nfs/dbraw/zinc/76/24/06/584762406.db2.gz DWUMZHYMDVRREJ-GRYCIOLGSA-N 2 2 239.363 0.298 20 0 BCADLP c1ncn([C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]3)C2)n1 ZINC000903457723 584764902 /nfs/dbraw/zinc/76/49/02/584764902.db2.gz ZNOSQXHLAWGZST-MNOVXSKESA-N 2 2 221.308 0.277 20 0 BCADLP c1ncn([C@H]2CC[N@H+](C[C@H]3CCC[NH2+]3)C2)n1 ZINC000903457723 584764903 /nfs/dbraw/zinc/76/49/03/584764903.db2.gz ZNOSQXHLAWGZST-MNOVXSKESA-N 2 2 221.308 0.277 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000903460111 584766552 /nfs/dbraw/zinc/76/65/52/584766552.db2.gz XLCBWBFIRDMNSP-WRWGMCAJSA-N 3 2 211.353 0.701 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000903464135 584767399 /nfs/dbraw/zinc/76/73/99/584767399.db2.gz AWLSJNFTNBENKY-YVECIDJPSA-N 3 2 223.364 0.655 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000903464135 584767401 /nfs/dbraw/zinc/76/74/01/584767401.db2.gz AWLSJNFTNBENKY-YVECIDJPSA-N 3 2 223.364 0.655 20 0 BCADLP Cn1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1=O ZINC000903469356 584774562 /nfs/dbraw/zinc/77/45/62/584774562.db2.gz SYNFNQPGAFOJLW-LBPRGKRZSA-N 2 2 247.342 0.760 20 0 BCADLP O=C(C[NH2+][C@H]1CC[NH2+]C12CCC2)N1CCCC1 ZINC000903470511 584774954 /nfs/dbraw/zinc/77/49/54/584774954.db2.gz MPOMKNFBTLEKQS-NSHDSACASA-N 2 2 237.347 0.483 20 0 BCADLP CN1CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1=O ZINC000903472014 584775867 /nfs/dbraw/zinc/77/58/67/584775867.db2.gz PFJDMMAZWLLRHZ-GHMZBOCLSA-N 2 2 237.347 0.481 20 0 BCADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C(N)=O ZINC000903471980 584776162 /nfs/dbraw/zinc/77/61/62/584776162.db2.gz ODHXHIQKAAGFFC-RKDXNWHRSA-N 2 2 211.309 0.125 20 0 BCADLP CCN(C)C(=O)CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903472703 584776329 /nfs/dbraw/zinc/77/63/29/584776329.db2.gz VCQXJDNLNDHJJK-LLVKDONJSA-N 2 2 239.363 0.729 20 0 BCADLP Cn1c[nH+]cc1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903472265 584776340 /nfs/dbraw/zinc/77/63/40/584776340.db2.gz QJCGIGOTQOTSFG-GFCCVEGCSA-N 3 2 234.347 0.837 20 0 BCADLP CN1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1=O ZINC000903472017 584776352 /nfs/dbraw/zinc/77/63/52/584776352.db2.gz PFJDMMAZWLLRHZ-WDEREUQCSA-N 2 2 237.347 0.481 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000903478717 584778114 /nfs/dbraw/zinc/77/81/14/584778114.db2.gz MMDVORRPGZGJNR-KXUCPTDWSA-N 2 2 234.290 0.808 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000903478717 584778115 /nfs/dbraw/zinc/77/81/15/584778115.db2.gz MMDVORRPGZGJNR-KXUCPTDWSA-N 2 2 234.290 0.808 20 0 BCADLP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@@H]1CC[NH2+]C1 ZINC000903465157 584779238 /nfs/dbraw/zinc/77/92/38/584779238.db2.gz DYTMKCQTULNAST-GHMZBOCLSA-N 3 2 209.337 0.470 20 0 BCADLP CC[C@H](C)NC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903465775 584779626 /nfs/dbraw/zinc/77/96/26/584779626.db2.gz MJBSVCCLMCCBDR-WDEREUQCSA-N 2 2 239.363 0.775 20 0 BCADLP CCCNC(=O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903485170 584779666 /nfs/dbraw/zinc/77/96/66/584779666.db2.gz KEXFTPPLNMGWPR-NSHDSACASA-N 2 2 239.363 0.777 20 0 BCADLP CC(C)OC(=O)CC[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903557277 584783288 /nfs/dbraw/zinc/78/32/88/584783288.db2.gz MNNJUAJDROLKQZ-SNVBAGLBSA-N 2 2 228.336 0.997 20 0 BCADLP CC(C)OC(=O)CC[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903557277 584783290 /nfs/dbraw/zinc/78/32/90/584783290.db2.gz MNNJUAJDROLKQZ-SNVBAGLBSA-N 2 2 228.336 0.997 20 0 BCADLP C[NH2+]CC[N@H+](Cc1ccn(C)c(=O)c1)C(C)C ZINC000903572036 584784018 /nfs/dbraw/zinc/78/40/18/584784018.db2.gz DGUVRVSWTTVMDC-UHFFFAOYSA-N 2 2 237.347 0.815 20 0 BCADLP C[NH2+]CC[N@@H+](Cc1ccn(C)c(=O)c1)C(C)C ZINC000903572036 584784019 /nfs/dbraw/zinc/78/40/19/584784019.db2.gz DGUVRVSWTTVMDC-UHFFFAOYSA-N 2 2 237.347 0.815 20 0 BCADLP C[NH2+]CC[N@H+](C[C@@H]1CCc2ncnn21)C(C)C ZINC000903575672 584784150 /nfs/dbraw/zinc/78/41/50/584784150.db2.gz QVAOSXCVZOQRED-NSHDSACASA-N 2 2 237.351 0.695 20 0 BCADLP C[NH2+]CC[N@@H+](C[C@@H]1CCc2ncnn21)C(C)C ZINC000903575672 584784155 /nfs/dbraw/zinc/78/41/55/584784155.db2.gz QVAOSXCVZOQRED-NSHDSACASA-N 2 2 237.351 0.695 20 0 BCADLP [NH3+][C@H]1CC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903712858 584793788 /nfs/dbraw/zinc/79/37/88/584793788.db2.gz AIUNUQYWHIUKBO-RYUDHWBXSA-N 3 2 239.363 0.178 20 0 BCADLP [NH3+][C@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903712858 584793789 /nfs/dbraw/zinc/79/37/89/584793789.db2.gz AIUNUQYWHIUKBO-RYUDHWBXSA-N 3 2 239.363 0.178 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000903752479 584795386 /nfs/dbraw/zinc/79/53/86/584795386.db2.gz TYDWYZWFNYSMQL-LMLFDSFASA-N 2 2 226.320 0.465 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000903752479 584795387 /nfs/dbraw/zinc/79/53/87/584795387.db2.gz TYDWYZWFNYSMQL-LMLFDSFASA-N 2 2 226.320 0.465 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@H]1[NH3+] ZINC000903752699 584795567 /nfs/dbraw/zinc/79/55/67/584795567.db2.gz UGMJRCISYXXQQE-YVECIDJPSA-N 3 2 239.363 0.034 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@H]1[NH3+] ZINC000903752699 584795569 /nfs/dbraw/zinc/79/55/69/584795569.db2.gz UGMJRCISYXXQQE-YVECIDJPSA-N 3 2 239.363 0.034 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903752751 584796012 /nfs/dbraw/zinc/79/60/12/584796012.db2.gz WGKINCIQGUGJFB-RNJOBUHISA-N 3 2 239.363 0.177 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903752751 584796014 /nfs/dbraw/zinc/79/60/14/584796014.db2.gz WGKINCIQGUGJFB-RNJOBUHISA-N 3 2 239.363 0.177 20 0 BCADLP C[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)CC(C)(C)[NH3+] ZINC000903766881 584797545 /nfs/dbraw/zinc/79/75/45/584797545.db2.gz CLTDXQSJLCSQDT-WCQYABFASA-N 3 2 241.379 0.424 20 0 BCADLP C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)CC(C)(C)[NH3+] ZINC000903766881 584797546 /nfs/dbraw/zinc/79/75/46/584797546.db2.gz CLTDXQSJLCSQDT-WCQYABFASA-N 3 2 241.379 0.424 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903774920 584799243 /nfs/dbraw/zinc/79/92/43/584799243.db2.gz CECRWCRRDDOCIC-NEPJUHHUSA-N 3 2 241.379 0.424 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903774920 584799244 /nfs/dbraw/zinc/79/92/44/584799244.db2.gz CECRWCRRDDOCIC-NEPJUHHUSA-N 3 2 241.379 0.424 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903778648 584799689 /nfs/dbraw/zinc/79/96/89/584799689.db2.gz QJQXIFQQOKQYIH-YVECIDJPSA-N 3 2 239.363 0.177 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903778648 584799690 /nfs/dbraw/zinc/79/96/90/584799690.db2.gz QJQXIFQQOKQYIH-YVECIDJPSA-N 3 2 239.363 0.177 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000903782332 584800218 /nfs/dbraw/zinc/80/02/18/584800218.db2.gz KWYOQXTULVXLES-UTUOFQBUSA-N 3 2 241.379 0.159 20 0 BCADLP [NH3+][C@H]1CCC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903786457 584800240 /nfs/dbraw/zinc/80/02/40/584800240.db2.gz JDJRVSMBLBLIFC-AVGNSLFASA-N 3 2 239.363 0.178 20 0 BCADLP [NH3+][C@H]1CCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903786457 584800241 /nfs/dbraw/zinc/80/02/41/584800241.db2.gz JDJRVSMBLBLIFC-AVGNSLFASA-N 3 2 239.363 0.178 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903784282 584800344 /nfs/dbraw/zinc/80/03/44/584800344.db2.gz MZMXWSCWHKSEAN-UPJWGTAASA-N 3 2 239.363 0.178 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903784282 584800346 /nfs/dbraw/zinc/80/03/46/584800346.db2.gz MZMXWSCWHKSEAN-UPJWGTAASA-N 3 2 239.363 0.178 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903784281 584800479 /nfs/dbraw/zinc/80/04/79/584800479.db2.gz MZMXWSCWHKSEAN-JHJVBQTASA-N 3 2 239.363 0.178 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903784281 584800481 /nfs/dbraw/zinc/80/04/81/584800481.db2.gz MZMXWSCWHKSEAN-JHJVBQTASA-N 3 2 239.363 0.178 20 0 BCADLP COCCOCC[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903798262 584801801 /nfs/dbraw/zinc/80/18/01/584801801.db2.gz MVKYASRUPGZVSR-CHWSQXEVSA-N 2 2 242.363 0.853 20 0 BCADLP COCCOCC[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903798262 584801802 /nfs/dbraw/zinc/80/18/02/584801802.db2.gz MVKYASRUPGZVSR-CHWSQXEVSA-N 2 2 242.363 0.853 20 0 BCADLP Cn1c[nH+]cc1CN[C@H]1C[NH2+]CC1(C)C ZINC000903821721 584803956 /nfs/dbraw/zinc/80/39/56/584803956.db2.gz QQHPZZBMHNPKMH-JTQLQIEISA-N 2 2 208.309 0.508 20 0 BCADLP [NH3+]CC[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000903831309 584805269 /nfs/dbraw/zinc/80/52/69/584805269.db2.gz HQYUJPBZYDSRLW-VIFPVBQESA-N 2 2 211.334 0.966 20 0 BCADLP [NH3+]CC[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000903831309 584805270 /nfs/dbraw/zinc/80/52/70/584805270.db2.gz HQYUJPBZYDSRLW-VIFPVBQESA-N 2 2 211.334 0.966 20 0 BCADLP C[C@H]1CCOCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000903830935 584805411 /nfs/dbraw/zinc/80/54/11/584805411.db2.gz BQNLJHUBFUEYHJ-QWRGUYRKSA-N 2 2 214.309 0.086 20 0 BCADLP C[C@H]1CCOCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000903830935 584805412 /nfs/dbraw/zinc/80/54/12/584805412.db2.gz BQNLJHUBFUEYHJ-QWRGUYRKSA-N 2 2 214.309 0.086 20 0 BCADLP O[C@@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C[C@@H]1F ZINC000903838542 584806787 /nfs/dbraw/zinc/80/67/87/584806787.db2.gz CECKNERKUWLXCI-SDDRHHMPSA-N 2 2 230.327 0.781 20 0 BCADLP O[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C[C@@H]1F ZINC000903838542 584806789 /nfs/dbraw/zinc/80/67/89/584806789.db2.gz CECKNERKUWLXCI-SDDRHHMPSA-N 2 2 230.327 0.781 20 0 BCADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1nnnn1C1CC1)C2 ZINC000903847005 584807602 /nfs/dbraw/zinc/80/76/02/584807602.db2.gz RTEDUYQICAJYOD-QXEWZRGKSA-N 2 2 248.334 0.320 20 0 BCADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1nnnn1C1CC1)C2 ZINC000903847005 584807604 /nfs/dbraw/zinc/80/76/04/584807604.db2.gz RTEDUYQICAJYOD-QXEWZRGKSA-N 2 2 248.334 0.320 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903852734 584808257 /nfs/dbraw/zinc/80/82/57/584808257.db2.gz ARTMXSKXLVLVDY-ZYHUDNBSSA-N 2 2 220.320 0.733 20 0 BCADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCn1cncn1 ZINC000903855076 584809080 /nfs/dbraw/zinc/80/90/80/584809080.db2.gz LCCDLFOLJVPMLJ-WDEREUQCSA-N 2 2 221.308 0.091 20 0 BCADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCn1cncn1 ZINC000903855076 584809081 /nfs/dbraw/zinc/80/90/81/584809081.db2.gz LCCDLFOLJVPMLJ-WDEREUQCSA-N 2 2 221.308 0.091 20 0 BCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@@H](O)C(F)(F)F ZINC000903856974 584810307 /nfs/dbraw/zinc/81/03/07/584810307.db2.gz BPHCYXCGFZSXFZ-IWSPIJDZSA-N 2 2 238.253 0.723 20 0 BCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@@H](O)C(F)(F)F ZINC000903856974 584810308 /nfs/dbraw/zinc/81/03/08/584810308.db2.gz BPHCYXCGFZSXFZ-IWSPIJDZSA-N 2 2 238.253 0.723 20 0 BCADLP Cn1ccc(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1=O ZINC000903863974 584813443 /nfs/dbraw/zinc/81/34/43/584813443.db2.gz FJKPFMNMBDVUHK-AWEZNQCLSA-N 2 2 247.342 0.713 20 0 BCADLP Cn1ccc(C[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1=O ZINC000903863974 584813444 /nfs/dbraw/zinc/81/34/44/584813444.db2.gz FJKPFMNMBDVUHK-AWEZNQCLSA-N 2 2 247.342 0.713 20 0 BCADLP O=C1CCCN1CC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903863582 584813487 /nfs/dbraw/zinc/81/34/87/584813487.db2.gz CANNFLLBWBKCRD-ZDUSSCGKSA-N 2 2 237.347 0.437 20 0 BCADLP O=C1CCCN1CC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903863582 584813488 /nfs/dbraw/zinc/81/34/88/584813488.db2.gz CANNFLLBWBKCRD-ZDUSSCGKSA-N 2 2 237.347 0.437 20 0 BCADLP CC[C@@H]1C(=O)NCCC[N@H+]1CCC[NH2+]C ZINC000903882105 584817881 /nfs/dbraw/zinc/81/78/81/584817881.db2.gz KXUVJAWXHQCHJJ-SNVBAGLBSA-N 2 2 213.325 0.196 20 0 BCADLP CC[C@@H]1C(=O)NCCC[N@@H+]1CCC[NH2+]C ZINC000903882105 584817883 /nfs/dbraw/zinc/81/78/83/584817883.db2.gz KXUVJAWXHQCHJJ-SNVBAGLBSA-N 2 2 213.325 0.196 20 0 BCADLP COC(=O)[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903883852 584818491 /nfs/dbraw/zinc/81/84/91/584818491.db2.gz KQLVCGJFITXRAG-HTQZYQBOSA-N 2 2 236.262 0.464 20 0 BCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903883852 584818492 /nfs/dbraw/zinc/81/84/92/584818492.db2.gz KQLVCGJFITXRAG-HTQZYQBOSA-N 2 2 236.262 0.464 20 0 BCADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@H]1CO ZINC000903885986 584819284 /nfs/dbraw/zinc/81/92/84/584819284.db2.gz NAYYNWJEQGQNOY-YUMQZZPRSA-N 2 2 208.252 0.426 20 0 BCADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@H]1CO ZINC000903885986 584819285 /nfs/dbraw/zinc/81/92/85/584819285.db2.gz NAYYNWJEQGQNOY-YUMQZZPRSA-N 2 2 208.252 0.426 20 0 BCADLP C[C@@H]1C[N@H+](C[C@H]([NH3+])CC(F)F)CC[C@H]1O ZINC000903908330 584821816 /nfs/dbraw/zinc/82/18/16/584821816.db2.gz GXMHCSQNDXBSKO-IWSPIJDZSA-N 2 2 222.279 0.672 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@H]([NH3+])CC(F)F)CC[C@H]1O ZINC000903908330 584821817 /nfs/dbraw/zinc/82/18/17/584821817.db2.gz GXMHCSQNDXBSKO-IWSPIJDZSA-N 2 2 222.279 0.672 20 0 BCADLP C[C@@]1(CO)CCC[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903908756 584822121 /nfs/dbraw/zinc/82/21/21/584822121.db2.gz PEXUFJSHGNMEHK-WPRPVWTQSA-N 2 2 222.279 0.816 20 0 BCADLP C[C@@]1(CO)CCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903908756 584822122 /nfs/dbraw/zinc/82/21/22/584822122.db2.gz PEXUFJSHGNMEHK-WPRPVWTQSA-N 2 2 222.279 0.816 20 0 BCADLP [NH3+][C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)CC(F)F ZINC000903920575 584823159 /nfs/dbraw/zinc/82/31/59/584823159.db2.gz WCNQDSCVLKORSP-VGMNWLOBSA-N 3 2 221.295 0.828 20 0 BCADLP C[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)C[C@@H]1CO ZINC000903933851 584825270 /nfs/dbraw/zinc/82/52/70/584825270.db2.gz WVKDIIIBWYENQR-OPRDCNLKSA-N 2 2 236.306 0.919 20 0 BCADLP C[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)C[C@@H]1CO ZINC000903933851 584825272 /nfs/dbraw/zinc/82/52/72/584825272.db2.gz WVKDIIIBWYENQR-OPRDCNLKSA-N 2 2 236.306 0.919 20 0 BCADLP COC[C@H]([NH2+][C@@H]1CC[NH2+]C1)[C@@H]1CCCOC1 ZINC000903960163 584827652 /nfs/dbraw/zinc/82/76/52/584827652.db2.gz YCSQZSOBIWRRGP-UTUOFQBUSA-N 2 2 228.336 0.380 20 0 BCADLP CCC1([NH3+])CC[NH+](CC2(C[NH3+])CC2)CC1 ZINC000903946599 584829368 /nfs/dbraw/zinc/82/93/68/584829368.db2.gz WPFPUBPHBPCAKJ-UHFFFAOYSA-N 3 2 211.353 0.929 20 0 BCADLP C[C@]1(C[N@@H+]2CCCn3nncc3C2)CC[NH2+]C1 ZINC000903949443 584830158 /nfs/dbraw/zinc/83/01/58/584830158.db2.gz ASWYIQNRHBZXQP-LBPRGKRZSA-N 2 2 235.335 0.483 20 0 BCADLP C[C@]1(C[N@H+]2CCCn3nncc3C2)CC[NH2+]C1 ZINC000903949443 584830159 /nfs/dbraw/zinc/83/01/59/584830159.db2.gz ASWYIQNRHBZXQP-LBPRGKRZSA-N 2 2 235.335 0.483 20 0 BCADLP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000903955872 584832058 /nfs/dbraw/zinc/83/20/58/584832058.db2.gz BOEGUWGUZBLTKJ-GHMZBOCLSA-N 3 2 247.333 0.963 20 0 BCADLP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000903955874 584832160 /nfs/dbraw/zinc/83/21/60/584832160.db2.gz BOEGUWGUZBLTKJ-QWRGUYRKSA-N 3 2 247.333 0.963 20 0 BCADLP Nc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)nn1 ZINC000904299324 584860070 /nfs/dbraw/zinc/86/00/70/584860070.db2.gz BFDHVTBHNBPWQB-UHFFFAOYSA-N 2 2 247.346 0.775 20 0 BCADLP Nc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)nn1 ZINC000904299324 584860072 /nfs/dbraw/zinc/86/00/72/584860072.db2.gz BFDHVTBHNBPWQB-UHFFFAOYSA-N 2 2 247.346 0.775 20 0 BCADLP CC[C@@H]1C(=O)NCC[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000904315917 584860127 /nfs/dbraw/zinc/86/01/27/584860127.db2.gz INVWAVLKCZPWOU-DGCLKSJQSA-N 2 2 239.363 0.587 20 0 BCADLP CC[C@@H]1C(=O)NCC[N@@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000904315917 584860128 /nfs/dbraw/zinc/86/01/28/584860128.db2.gz INVWAVLKCZPWOU-DGCLKSJQSA-N 2 2 239.363 0.587 20 0 BCADLP CC[C@H]1C(=O)NCC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000904315916 584860180 /nfs/dbraw/zinc/86/01/80/584860180.db2.gz INVWAVLKCZPWOU-AAEUAGOBSA-N 2 2 239.363 0.587 20 0 BCADLP CC[C@H]1C(=O)NCC[N@@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000904315916 584860181 /nfs/dbraw/zinc/86/01/81/584860181.db2.gz INVWAVLKCZPWOU-AAEUAGOBSA-N 2 2 239.363 0.587 20 0 BCADLP C[NH+]1CCC([N@H+](CCO)C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904302473 584862081 /nfs/dbraw/zinc/86/20/81/584862081.db2.gz UQQLRQSFWRJPFI-TXEJJXNPSA-N 3 2 241.379 0.112 20 0 BCADLP C[NH+]1CCC([N@@H+](CCO)C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904302473 584862082 /nfs/dbraw/zinc/86/20/82/584862082.db2.gz UQQLRQSFWRJPFI-TXEJJXNPSA-N 3 2 241.379 0.112 20 0 BCADLP CCCC[N@H+](CC(N)=O)C[C@]1(C)CCC[NH2+]C1 ZINC000904313268 584863457 /nfs/dbraw/zinc/86/34/57/584863457.db2.gz XTZMLSBQAOIVCX-CYBMUJFWSA-N 2 2 241.379 0.964 20 0 BCADLP CCCC[N@@H+](CC(N)=O)C[C@]1(C)CCC[NH2+]C1 ZINC000904313268 584863458 /nfs/dbraw/zinc/86/34/58/584863458.db2.gz XTZMLSBQAOIVCX-CYBMUJFWSA-N 2 2 241.379 0.964 20 0 BCADLP COCC[N@H+](CC(F)F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904317877 584863951 /nfs/dbraw/zinc/86/39/51/584863951.db2.gz ZVPYQOOAPUZWOD-DTORHVGOSA-N 2 2 222.279 0.937 20 0 BCADLP COCC[N@@H+](CC(F)F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904317877 584863952 /nfs/dbraw/zinc/86/39/52/584863952.db2.gz ZVPYQOOAPUZWOD-DTORHVGOSA-N 2 2 222.279 0.937 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(N)nn2)C1 ZINC000904333806 584866525 /nfs/dbraw/zinc/86/65/25/584866525.db2.gz GUVFDNOXIFNVBQ-NSHDSACASA-N 2 2 221.308 0.230 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(N)nn2)C1 ZINC000904333806 584866526 /nfs/dbraw/zinc/86/65/26/584866526.db2.gz GUVFDNOXIFNVBQ-NSHDSACASA-N 2 2 221.308 0.230 20 0 BCADLP CC[N@H+](CC(N)=O)C[C@]1(C)CCC[NH2+]C1 ZINC000904339990 584866926 /nfs/dbraw/zinc/86/69/26/584866926.db2.gz CKAUWQUSXJCUMB-LLVKDONJSA-N 2 2 213.325 0.183 20 0 BCADLP CC[N@@H+](CC(N)=O)C[C@]1(C)CCC[NH2+]C1 ZINC000904339990 584866927 /nfs/dbraw/zinc/86/69/27/584866927.db2.gz CKAUWQUSXJCUMB-LLVKDONJSA-N 2 2 213.325 0.183 20 0 BCADLP Nc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)nn1 ZINC000904351128 584869290 /nfs/dbraw/zinc/86/92/90/584869290.db2.gz UGRXNDCYIUBUSU-GFCCVEGCSA-N 2 2 233.319 0.244 20 0 BCADLP Nc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)nn1 ZINC000904351128 584869291 /nfs/dbraw/zinc/86/92/91/584869291.db2.gz UGRXNDCYIUBUSU-GFCCVEGCSA-N 2 2 233.319 0.244 20 0 BCADLP Nc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)nn1 ZINC000904351129 584869350 /nfs/dbraw/zinc/86/93/50/584869350.db2.gz UGRXNDCYIUBUSU-LBPRGKRZSA-N 2 2 233.319 0.244 20 0 BCADLP Nc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)nn1 ZINC000904351129 584869351 /nfs/dbraw/zinc/86/93/51/584869351.db2.gz UGRXNDCYIUBUSU-LBPRGKRZSA-N 2 2 233.319 0.244 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N)nn2)CC[NH2+]1 ZINC000904355395 584870892 /nfs/dbraw/zinc/87/08/92/584870892.db2.gz NANRGLZAJTXFOD-IUCAKERBSA-N 2 2 221.308 0.289 20 0 BCADLP C[C@@]1(C[NH2+]C[C@H]([NH3+])C2CC2)CCC[NH2+]C1 ZINC000904355726 584871144 /nfs/dbraw/zinc/87/11/44/584871144.db2.gz QWVHZJICDOGQCB-NWDGAFQWSA-N 3 2 211.353 0.703 20 0 BCADLP [NH3+]CC[NH+]1CCC(Nc2ccc(C[NH3+])cc2)CC1 ZINC000904356048 584871333 /nfs/dbraw/zinc/87/13/33/584871333.db2.gz SEGFXMYJKKNEGF-UHFFFAOYSA-N 3 2 248.374 0.980 20 0 BCADLP Nc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)nn1 ZINC000904358970 584872412 /nfs/dbraw/zinc/87/24/12/584872412.db2.gz VQTYCZWMEROIEV-NSHDSACASA-N 2 2 235.335 0.666 20 0 BCADLP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000904368724 584872505 /nfs/dbraw/zinc/87/25/05/584872505.db2.gz MQMDTCPAGRYNOE-SRVKXCTJSA-N 2 2 244.379 0.568 20 0 BCADLP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000904368724 584872506 /nfs/dbraw/zinc/87/25/06/584872506.db2.gz MQMDTCPAGRYNOE-SRVKXCTJSA-N 2 2 244.379 0.568 20 0 BCADLP CC(C)([NH3+])C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000904391521 584875483 /nfs/dbraw/zinc/87/54/83/584875483.db2.gz HUBCSMKTBNPRMV-NSHDSACASA-N 3 2 241.379 0.554 20 0 BCADLP CCC1([NH3+])CC[NH+](Cc2ccc(N)nn2)CC1 ZINC000904386244 584877905 /nfs/dbraw/zinc/87/79/05/584877905.db2.gz UCKHGHXAPVDMBA-UHFFFAOYSA-N 2 2 235.335 0.762 20 0 BCADLP CCn1cc[nH+]c1CN1CCC[C@]([NH3+])(CO)C1 ZINC000904402960 584878231 /nfs/dbraw/zinc/87/82/31/584878231.db2.gz XPGISLGKPGJJCD-GFCCVEGCSA-N 2 2 238.335 0.189 20 0 BCADLP Cc1cc(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc[nH+]1 ZINC000904398460 584880066 /nfs/dbraw/zinc/88/00/66/584880066.db2.gz PUQXWRKQEXDZLG-ADEWGFFLSA-N 2 2 246.314 0.826 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904398816 584880601 /nfs/dbraw/zinc/88/06/01/584880601.db2.gz UALKJNZVXSQLCO-ADEWGFFLSA-N 2 2 246.314 0.826 20 0 BCADLP C[C@@H]1C[N@H+](C[C@]23C[C@H]2C[NH2+]C3)C[C@H]1C[NH3+] ZINC000904419395 584881958 /nfs/dbraw/zinc/88/19/58/584881958.db2.gz UZAVMOWLAZTQDB-WISYIIOYSA-N 3 2 209.337 0.123 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@]23C[C@H]2C[NH2+]C3)C[C@H]1C[NH3+] ZINC000904419395 584881959 /nfs/dbraw/zinc/88/19/59/584881959.db2.gz UZAVMOWLAZTQDB-WISYIIOYSA-N 3 2 209.337 0.123 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420719 584882136 /nfs/dbraw/zinc/88/21/36/584882136.db2.gz UTLCQWPHUPZABW-YNEHKIRRSA-N 3 2 225.380 0.901 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420719 584882138 /nfs/dbraw/zinc/88/21/38/584882138.db2.gz UTLCQWPHUPZABW-YNEHKIRRSA-N 3 2 225.380 0.901 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876753485 584886839 /nfs/dbraw/zinc/88/68/39/584886839.db2.gz LKCDOMOIXYPBNH-KOLCDFICSA-N 2 2 237.278 0.698 20 0 BCADLP C[C@H]1CC(=O)N(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000738227702 585042082 /nfs/dbraw/zinc/04/20/82/585042082.db2.gz OLURWBURPRZMEO-NWDGAFQWSA-N 2 2 239.363 0.696 20 0 BCADLP C[C@H]1CC(=O)N(C[N@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000738227702 585042083 /nfs/dbraw/zinc/04/20/83/585042083.db2.gz OLURWBURPRZMEO-NWDGAFQWSA-N 2 2 239.363 0.696 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@H+](CN2CCCC2=O)C1 ZINC000738227752 585042176 /nfs/dbraw/zinc/04/21/76/585042176.db2.gz OTEJTGFFLLGDBH-LLVKDONJSA-N 2 2 225.336 0.450 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@@H+](CN2CCCC2=O)C1 ZINC000738227752 585042177 /nfs/dbraw/zinc/04/21/77/585042177.db2.gz OTEJTGFFLLGDBH-LLVKDONJSA-N 2 2 225.336 0.450 20 0 BCADLP C[C@H](O)C[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000742370507 585124959 /nfs/dbraw/zinc/12/49/59/585124959.db2.gz YGHZWRLDCYLBPO-AAEUAGOBSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@H](O)C[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000742370507 585124960 /nfs/dbraw/zinc/12/49/60/585124960.db2.gz YGHZWRLDCYLBPO-AAEUAGOBSA-N 2 2 242.363 0.600 20 0 BCADLP Cn1nncc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000751146256 585224481 /nfs/dbraw/zinc/22/44/81/585224481.db2.gz BYJCBUQGBAUQQU-UHFFFAOYSA-N 2 2 249.362 0.779 20 0 BCADLP O=C(NCC[NH+]1CCC1)c1cccc2[nH+]ccn21 ZINC000752296007 585244770 /nfs/dbraw/zinc/24/47/70/585244770.db2.gz NQSOAIMWAWSUJZ-UHFFFAOYSA-N 2 2 244.298 0.770 20 0 BCADLP CC[C@H](C(=O)N1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000754466483 585285110 /nfs/dbraw/zinc/28/51/10/585285110.db2.gz ADSDRVOHODXCES-WDEREUQCSA-N 2 2 227.352 0.489 20 0 BCADLP CC[C@H](C(=O)N1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000754466483 585285111 /nfs/dbraw/zinc/28/51/11/585285111.db2.gz ADSDRVOHODXCES-WDEREUQCSA-N 2 2 227.352 0.489 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000759844786 585381279 /nfs/dbraw/zinc/38/12/79/585381279.db2.gz VVZBWNHLBYUQKT-NXEZZACHSA-N 2 2 235.287 0.525 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000759844786 585381280 /nfs/dbraw/zinc/38/12/80/585381280.db2.gz VVZBWNHLBYUQKT-NXEZZACHSA-N 2 2 235.287 0.525 20 0 BCADLP CON(C)C(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000759977356 585383585 /nfs/dbraw/zinc/38/35/85/585383585.db2.gz PFLZBEBHUFGELN-NSHDSACASA-N 2 2 243.351 0.422 20 0 BCADLP CON(C)C(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000759977356 585383586 /nfs/dbraw/zinc/38/35/86/585383586.db2.gz PFLZBEBHUFGELN-NSHDSACASA-N 2 2 243.351 0.422 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C1([NH+](C)C)CCC1 ZINC000763043011 585442102 /nfs/dbraw/zinc/44/21/02/585442102.db2.gz ALFTYGMBNDRIPM-UHFFFAOYSA-N 2 2 236.319 0.852 20 0 BCADLP C[NH+](C)C1(C(=O)NCCc2[nH]cc[nH+]2)CCC1 ZINC000763044480 585442223 /nfs/dbraw/zinc/44/22/23/585442223.db2.gz LSBDKYRZKNXDKZ-UHFFFAOYSA-N 2 2 236.319 0.553 20 0 BCADLP CC(C)[C@@H](C(=O)N1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000769144824 585550127 /nfs/dbraw/zinc/55/01/27/585550127.db2.gz YBUJIBXACOOAIE-NEPJUHHUSA-N 2 2 241.379 0.735 20 0 BCADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc[nH]n1 ZINC000300921386 585702553 /nfs/dbraw/zinc/70/25/53/585702553.db2.gz YTYULPLDBCPALI-SNVBAGLBSA-N 2 2 208.309 0.887 20 0 BCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CC=CCC1 ZINC000778970207 585743614 /nfs/dbraw/zinc/74/36/14/585743614.db2.gz ZQKIAMCLEGCXSH-LBPRGKRZSA-N 2 2 210.321 0.705 20 0 BCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CC=CCC1 ZINC000778970207 585743615 /nfs/dbraw/zinc/74/36/15/585743615.db2.gz ZQKIAMCLEGCXSH-LBPRGKRZSA-N 2 2 210.321 0.705 20 0 BCADLP NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000782534804 585820047 /nfs/dbraw/zinc/82/00/47/585820047.db2.gz IEXJNCGLTYRFDJ-RYUDHWBXSA-N 2 2 239.363 0.716 20 0 BCADLP OC[C@]12C[C@H]1C[N@H+](CCCn1cc[nH+]c1)C2 ZINC000782632941 585823545 /nfs/dbraw/zinc/82/35/45/585823545.db2.gz MXQVGIXXTOKBQS-NWDGAFQWSA-N 2 2 221.304 0.587 20 0 BCADLP OC[C@]12C[C@H]1C[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000782632941 585823546 /nfs/dbraw/zinc/82/35/46/585823546.db2.gz MXQVGIXXTOKBQS-NWDGAFQWSA-N 2 2 221.304 0.587 20 0 BCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[NH+]2CCCC2)C1 ZINC000783971520 585846333 /nfs/dbraw/zinc/84/63/33/585846333.db2.gz GTHHVBAJUAHZSV-NSHDSACASA-N 2 2 248.330 0.789 20 0 BCADLP C[N@@H+]1CCCC12CC[NH+](CC1OCCO1)CC2 ZINC000784259504 585853526 /nfs/dbraw/zinc/85/35/26/585853526.db2.gz XZTDABZHVYOWHM-UHFFFAOYSA-N 2 2 240.347 0.920 20 0 BCADLP C[N@H+]1CCCC12CC[NH+](CC1OCCO1)CC2 ZINC000784259504 585853527 /nfs/dbraw/zinc/85/35/27/585853527.db2.gz XZTDABZHVYOWHM-UHFFFAOYSA-N 2 2 240.347 0.920 20 0 BCADLP CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000794577400 586045041 /nfs/dbraw/zinc/04/50/41/586045041.db2.gz QLGBIMAKBFAILN-NWDGAFQWSA-N 2 2 239.363 0.587 20 0 BCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000794577399 586045093 /nfs/dbraw/zinc/04/50/93/586045093.db2.gz QLGBIMAKBFAILN-NEPJUHHUSA-N 2 2 239.363 0.587 20 0 BCADLP COC(=O)[C@H]1[C@@H]2C[N@H+](CCn3cc[nH+]c3C)C[C@@H]21 ZINC000794985808 586061661 /nfs/dbraw/zinc/06/16/61/586061661.db2.gz FZDAHLXQTQDZOJ-GDNZZTSVSA-N 2 2 249.314 0.542 20 0 BCADLP C[S@](=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000798197461 586140442 /nfs/dbraw/zinc/14/04/42/586140442.db2.gz SYWBLAYVXZMAIK-LRDDRELGSA-N 2 2 244.404 0.783 20 0 BCADLP C[S@](=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000798197461 586140443 /nfs/dbraw/zinc/14/04/43/586140443.db2.gz SYWBLAYVXZMAIK-LRDDRELGSA-N 2 2 244.404 0.783 20 0 BCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](C)[C@@H](C)C2)CCO1 ZINC000800367013 586213967 /nfs/dbraw/zinc/21/39/67/586213967.db2.gz QVEMJHMTMUCFIQ-QWHCGFSZSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](C)[C@@H](C)C2)CCO1 ZINC000800367013 586213970 /nfs/dbraw/zinc/21/39/70/586213970.db2.gz QVEMJHMTMUCFIQ-QWHCGFSZSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1C[NH+](CCN2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC000800367013 586213972 /nfs/dbraw/zinc/21/39/72/586213972.db2.gz QVEMJHMTMUCFIQ-QWHCGFSZSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC000800367013 586213974 /nfs/dbraw/zinc/21/39/74/586213974.db2.gz QVEMJHMTMUCFIQ-QWHCGFSZSA-N 2 2 241.379 0.343 20 0 BCADLP CC(C)c1nc(N[C@@H](CO)C[NH+](C)C)cc[nH+]1 ZINC000809341175 586503410 /nfs/dbraw/zinc/50/34/10/586503410.db2.gz NODUWUNCYADGSJ-SNVBAGLBSA-N 2 2 238.335 0.934 20 0 BCADLP C[C@@H]1CCOCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000809972484 586527347 /nfs/dbraw/zinc/52/73/47/586527347.db2.gz JFILBDHRQHQDOF-DGCLKSJQSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1CCOCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000809972484 586527348 /nfs/dbraw/zinc/52/73/48/586527348.db2.gz JFILBDHRQHQDOF-DGCLKSJQSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1CCOCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000809972484 586527350 /nfs/dbraw/zinc/52/73/50/586527350.db2.gz JFILBDHRQHQDOF-DGCLKSJQSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1CCOCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000809972484 586527352 /nfs/dbraw/zinc/52/73/52/586527352.db2.gz JFILBDHRQHQDOF-DGCLKSJQSA-N 2 2 242.363 0.552 20 0 BCADLP Cn1cnc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000810171939 586536370 /nfs/dbraw/zinc/53/63/70/586536370.db2.gz ZDLNIFHBHQPUEN-VIFPVBQESA-N 2 2 231.303 0.790 20 0 BCADLP Cn1cnc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000810171939 586536371 /nfs/dbraw/zinc/53/63/71/586536371.db2.gz ZDLNIFHBHQPUEN-VIFPVBQESA-N 2 2 231.303 0.790 20 0 BCADLP Cn1ncc(C[NH2+]CCCNc2cccc[nH+]2)n1 ZINC000815129035 586668779 /nfs/dbraw/zinc/66/87/79/586668779.db2.gz RTJQKIYLNZCJLE-UHFFFAOYSA-N 2 2 246.318 0.802 20 0 BCADLP Cc1c[nH+]cn1CC(=O)OCc1cc[nH+]c(N)c1 ZINC000859948191 589073345 /nfs/dbraw/zinc/07/33/45/589073345.db2.gz WDEAUEFMRYXGJS-UHFFFAOYSA-N 2 2 246.270 0.912 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(C)OCCO1 ZINC000817917233 586840173 /nfs/dbraw/zinc/84/01/73/586840173.db2.gz OQLIFTMCFSBKCU-NXEZZACHSA-N 2 2 214.309 0.337 20 0 BCADLP CCn1nc(C)c(C[NH2+][C@@H](C)C2C[NH2+]C2)n1 ZINC000818615049 586903214 /nfs/dbraw/zinc/90/32/14/586903214.db2.gz LBPFMMDGDQNLLI-QMMMGPOBSA-N 2 2 223.324 0.304 20 0 BCADLP CCn1nc(C)c(C[NH2+][C@H](C)C[C@H](C)[NH3+])n1 ZINC000818615940 586907180 /nfs/dbraw/zinc/90/71/80/586907180.db2.gz RRLQCFMOYWEMMC-DTWKUNHWSA-N 2 2 225.340 0.822 20 0 BCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)C1CC1 ZINC000819018247 586924585 /nfs/dbraw/zinc/92/45/85/586924585.db2.gz RKPHFNUZCSFPDF-QWHCGFSZSA-N 2 2 242.363 0.458 20 0 BCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)C1CC1 ZINC000819018247 586924587 /nfs/dbraw/zinc/92/45/87/586924587.db2.gz RKPHFNUZCSFPDF-QWHCGFSZSA-N 2 2 242.363 0.458 20 0 BCADLP C[NH+](C)[C@@]1(C[NH2+]C[C@H](O)C2CC2)CCSC1 ZINC000819131261 586932801 /nfs/dbraw/zinc/93/28/01/586932801.db2.gz NBSQMDIITZHTAE-NWDGAFQWSA-N 2 2 244.404 0.784 20 0 BCADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cnnn1C ZINC000820807177 587073620 /nfs/dbraw/zinc/07/36/20/587073620.db2.gz BOHGFTOGYXTISG-WDEREUQCSA-N 2 2 249.362 0.950 20 0 BCADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cnnn1C ZINC000820807177 587073622 /nfs/dbraw/zinc/07/36/22/587073622.db2.gz BOHGFTOGYXTISG-WDEREUQCSA-N 2 2 249.362 0.950 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cnnn1C ZINC000820807175 587073630 /nfs/dbraw/zinc/07/36/30/587073630.db2.gz BOHGFTOGYXTISG-MNOVXSKESA-N 2 2 249.362 0.950 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cnnn1C ZINC000820807175 587073632 /nfs/dbraw/zinc/07/36/32/587073632.db2.gz BOHGFTOGYXTISG-MNOVXSKESA-N 2 2 249.362 0.950 20 0 BCADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cnnn1C ZINC000820805850 587073691 /nfs/dbraw/zinc/07/36/91/587073691.db2.gz SRIVTUPCHOFPED-SECBINFHSA-N 2 2 220.280 0.362 20 0 BCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000821106832 587095943 /nfs/dbraw/zinc/09/59/43/587095943.db2.gz WVUJDNJTBLSFPZ-SNVBAGLBSA-N 2 2 248.330 0.479 20 0 BCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000821106832 587095945 /nfs/dbraw/zinc/09/59/45/587095945.db2.gz WVUJDNJTBLSFPZ-SNVBAGLBSA-N 2 2 248.330 0.479 20 0 BCADLP C[NH+](C)CC1(C(=O)N[C@H]2CCn3cc[nH+]c32)CC1 ZINC000823236893 587210588 /nfs/dbraw/zinc/21/05/88/587210588.db2.gz HZRFZVRCURKBPX-JTQLQIEISA-N 2 2 248.330 0.786 20 0 BCADLP O=C(C[NH+]1CCCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000823345811 587217215 /nfs/dbraw/zinc/21/72/15/587217215.db2.gz AWUWDCXZWOIFIY-JTQLQIEISA-N 2 2 234.303 0.020 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000823663890 587235748 /nfs/dbraw/zinc/23/57/48/587235748.db2.gz NDOLXFBPOXDICH-SECBINFHSA-N 2 2 234.303 0.305 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000823663890 587235749 /nfs/dbraw/zinc/23/57/49/587235749.db2.gz NDOLXFBPOXDICH-SECBINFHSA-N 2 2 234.303 0.305 20 0 BCADLP C[C@H]1C[NH+]=C(NC(=O)C[C@@H]2CC[N@H+](C)C2)S1 ZINC000823807068 587240988 /nfs/dbraw/zinc/24/09/88/587240988.db2.gz PPCYAXMEASEUNW-IUCAKERBSA-N 2 2 241.360 0.936 20 0 BCADLP C[C@H]1C[NH+]=C(NC(=O)C[C@@H]2CC[N@@H+](C)C2)S1 ZINC000823807068 587240990 /nfs/dbraw/zinc/24/09/90/587240990.db2.gz PPCYAXMEASEUNW-IUCAKERBSA-N 2 2 241.360 0.936 20 0 BCADLP C[C@H]1C[NH+]=C(NC(=O)C[C@H]2CC[N@H+](C)C2)S1 ZINC000823807067 587241084 /nfs/dbraw/zinc/24/10/84/587241084.db2.gz PPCYAXMEASEUNW-DTWKUNHWSA-N 2 2 241.360 0.936 20 0 BCADLP C[C@H]1C[NH+]=C(NC(=O)C[C@H]2CC[N@@H+](C)C2)S1 ZINC000823807067 587241085 /nfs/dbraw/zinc/24/10/85/587241085.db2.gz PPCYAXMEASEUNW-DTWKUNHWSA-N 2 2 241.360 0.936 20 0 BCADLP C[C@H](C(=O)NC1=[NH+]C[C@H](C)S1)[NH+](C)C ZINC000823806737 587241150 /nfs/dbraw/zinc/24/11/50/587241150.db2.gz HRDVCZQKDCSFPA-NKWVEPMBSA-N 2 2 215.322 0.544 20 0 BCADLP C[S@@](=O)CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000827877233 587406936 /nfs/dbraw/zinc/40/69/36/587406936.db2.gz QOXDOIXCWWRDAZ-BDJLRTHQSA-N 2 2 241.360 0.899 20 0 BCADLP C[S@@](=O)CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000827877233 587406938 /nfs/dbraw/zinc/40/69/38/587406938.db2.gz QOXDOIXCWWRDAZ-BDJLRTHQSA-N 2 2 241.360 0.899 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@H+](CC[S@](C)=O)C1 ZINC000827919984 587409875 /nfs/dbraw/zinc/40/98/75/587409875.db2.gz RWNASUIBAJGPBJ-YGRLFVJLSA-N 2 2 218.366 0.248 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@@H+](CC[S@](C)=O)C1 ZINC000827919984 587409876 /nfs/dbraw/zinc/40/98/76/587409876.db2.gz RWNASUIBAJGPBJ-YGRLFVJLSA-N 2 2 218.366 0.248 20 0 BCADLP C[C@@H]1C[C@H]([NH+](C)CC[S@@](C)=O)CC[N@@H+]1C ZINC000827976023 587414569 /nfs/dbraw/zinc/41/45/69/587414569.db2.gz NQLUFLLXRRXVAD-UEKVPHQBSA-N 2 2 232.393 0.779 20 0 BCADLP C[C@@H]1C[C@H]([NH+](C)CC[S@@](C)=O)CC[N@H+]1C ZINC000827976023 587414570 /nfs/dbraw/zinc/41/45/70/587414570.db2.gz NQLUFLLXRRXVAD-UEKVPHQBSA-N 2 2 232.393 0.779 20 0 BCADLP C[C@@H]1C[C@H]([N@H+](C)CC[S@@](C)=O)CC[NH+]1C ZINC000827976023 587414571 /nfs/dbraw/zinc/41/45/71/587414571.db2.gz NQLUFLLXRRXVAD-UEKVPHQBSA-N 2 2 232.393 0.779 20 0 BCADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC[S@@](C)=O)C2)C1 ZINC000828575725 587451032 /nfs/dbraw/zinc/45/10/32/587451032.db2.gz OTXLZRUMFBUCNQ-MLGOLLRUSA-N 2 2 244.404 0.783 20 0 BCADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC[S@@](C)=O)C2)C1 ZINC000828575725 587451033 /nfs/dbraw/zinc/45/10/33/587451033.db2.gz OTXLZRUMFBUCNQ-MLGOLLRUSA-N 2 2 244.404 0.783 20 0 BCADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC[S@@](C)=O)C2)C1 ZINC000828575725 587451034 /nfs/dbraw/zinc/45/10/34/587451034.db2.gz OTXLZRUMFBUCNQ-MLGOLLRUSA-N 2 2 244.404 0.783 20 0 BCADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC[S@@](C)=O)C2)C1 ZINC000828575725 587451035 /nfs/dbraw/zinc/45/10/35/587451035.db2.gz OTXLZRUMFBUCNQ-MLGOLLRUSA-N 2 2 244.404 0.783 20 0 BCADLP C[N@H+](CCC[NH+]1CCCC1)CC[S@](C)=O ZINC000829443999 587497796 /nfs/dbraw/zinc/49/77/96/587497796.db2.gz PBTPQKMFVGBROZ-HNNXBMFYSA-N 2 2 232.393 0.783 20 0 BCADLP C[N@@H+](CCC[NH+]1CCCC1)CC[S@](C)=O ZINC000829443999 587497797 /nfs/dbraw/zinc/49/77/97/587497797.db2.gz PBTPQKMFVGBROZ-HNNXBMFYSA-N 2 2 232.393 0.783 20 0 BCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000829450295 587498299 /nfs/dbraw/zinc/49/82/99/587498299.db2.gz PXTNLXJTPURZHP-QMAVJUDZSA-N 2 2 248.330 0.644 20 0 BCADLP CC[N@H+]1CC[C@@H]1CNC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000829450295 587498301 /nfs/dbraw/zinc/49/83/01/587498301.db2.gz PXTNLXJTPURZHP-QMAVJUDZSA-N 2 2 248.330 0.644 20 0 BCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1=CC[N@H+](C)CC1 ZINC000831937450 587637778 /nfs/dbraw/zinc/63/77/78/587637778.db2.gz UZROIVLZWVHYPK-SNVBAGLBSA-N 2 2 248.330 0.719 20 0 BCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1=CC[N@@H+](C)CC1 ZINC000831937450 587637779 /nfs/dbraw/zinc/63/77/79/587637779.db2.gz UZROIVLZWVHYPK-SNVBAGLBSA-N 2 2 248.330 0.719 20 0 BCADLP O=C(C[NH2+]C1CC1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000832139804 587646006 /nfs/dbraw/zinc/64/60/06/587646006.db2.gz FPSHKNKMVKROFK-SNVBAGLBSA-N 2 2 234.303 0.825 20 0 BCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000837437416 587873032 /nfs/dbraw/zinc/87/30/32/587873032.db2.gz KMSZOFHTTXIRJI-SNVBAGLBSA-N 2 2 236.319 0.354 20 0 BCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000837437416 587873033 /nfs/dbraw/zinc/87/30/33/587873033.db2.gz KMSZOFHTTXIRJI-SNVBAGLBSA-N 2 2 236.319 0.354 20 0 BCADLP C[C@@H](C[NH3+])[NH2+]Cc1cn2cccc(F)c2n1 ZINC000841063560 587941820 /nfs/dbraw/zinc/94/18/20/587941820.db2.gz NFHFBTYIILMKSO-QMMMGPOBSA-N 2 2 222.267 0.910 20 0 BCADLP Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841077419 587945028 /nfs/dbraw/zinc/94/50/28/587945028.db2.gz LHNFDLSGCRFINL-MYJAWHEDSA-N 2 2 240.738 0.689 20 0 BCADLP C([C@@H]1CCC[NH2+]1)[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000843067315 588078785 /nfs/dbraw/zinc/07/87/85/588078785.db2.gz YKQQYCBDJQIWCC-SDDRHHMPSA-N 2 2 242.388 0.945 20 0 BCADLP C([C@@H]1CCC[NH2+]1)[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000843067315 588078787 /nfs/dbraw/zinc/07/87/87/588078787.db2.gz YKQQYCBDJQIWCC-SDDRHHMPSA-N 2 2 242.388 0.945 20 0 BCADLP CN(Cc1ccc(-n2cc[nH+]c2)nc1)C1C[NH2+]C1 ZINC000843125177 588083940 /nfs/dbraw/zinc/08/39/40/588083940.db2.gz ZNJBGZIIJKQIHP-UHFFFAOYSA-N 2 2 243.314 0.671 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC000843126007 588084389 /nfs/dbraw/zinc/08/43/89/588084389.db2.gz MHYNXNIMVDYUHV-DDHJBXDOSA-N 3 2 211.353 0.857 20 0 BCADLP Cc1ccc(Cc2noc(CC[NH3+])n2)c[nH+]1 ZINC000843183151 588089350 /nfs/dbraw/zinc/08/93/50/588089350.db2.gz KWHJQFSBSMDMLK-UHFFFAOYSA-N 2 2 218.260 0.865 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCCCC[NH3+] ZINC000843344030 588101428 /nfs/dbraw/zinc/10/14/28/588101428.db2.gz MQIXIQWDVLALHC-CHWSQXEVSA-N 3 2 243.395 0.862 20 0 BCADLP CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000843347200 588102203 /nfs/dbraw/zinc/10/22/03/588102203.db2.gz CXQPTDGXHLWYJH-QWRGUYRKSA-N 2 2 228.336 0.999 20 0 BCADLP CCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000843347200 588102204 /nfs/dbraw/zinc/10/22/04/588102204.db2.gz CXQPTDGXHLWYJH-QWRGUYRKSA-N 2 2 228.336 0.999 20 0 BCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC000843348385 588102529 /nfs/dbraw/zinc/10/25/29/588102529.db2.gz MHCLBGCVTLGGHB-JTQLQIEISA-N 2 2 249.314 0.611 20 0 BCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC000843348385 588102530 /nfs/dbraw/zinc/10/25/30/588102530.db2.gz MHCLBGCVTLGGHB-JTQLQIEISA-N 2 2 249.314 0.611 20 0 BCADLP C[NH2+]CC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000844168153 588171032 /nfs/dbraw/zinc/17/10/32/588171032.db2.gz NJAQQSKBOUOQRN-UHFFFAOYSA-N 2 2 245.286 0.103 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844181592 588172202 /nfs/dbraw/zinc/17/22/02/588172202.db2.gz UDNJJSCFGHWQTL-LLVKDONJSA-N 2 2 249.314 0.519 20 0 BCADLP CC[NH2+]CC(=O)NCc1ccc[nH+]c1N(C)C ZINC000844171521 588172256 /nfs/dbraw/zinc/17/22/56/588172256.db2.gz JVBASNRFTXIGPN-UHFFFAOYSA-N 2 2 236.319 0.373 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844181593 588172318 /nfs/dbraw/zinc/17/23/18/588172318.db2.gz UDNJJSCFGHWQTL-NSHDSACASA-N 2 2 249.314 0.519 20 0 BCADLP [NH3+]CCCCCC[N@@H+]1CCN2C(=O)N=NC2C1 ZINC000846221392 588261269 /nfs/dbraw/zinc/26/12/69/588261269.db2.gz YEUZVFOWHVQHBH-UHFFFAOYSA-N 2 2 239.323 0.318 20 0 BCADLP [NH3+]CCCCCC[N@H+]1CCN2C(=O)N=NC2C1 ZINC000846221392 588261270 /nfs/dbraw/zinc/26/12/70/588261270.db2.gz YEUZVFOWHVQHBH-UHFFFAOYSA-N 2 2 239.323 0.318 20 0 BCADLP [NH3+]CCCCCC[N@@H+]1CCn2c(n[nH]c2=O)C1 ZINC000846221392 588261271 /nfs/dbraw/zinc/26/12/71/588261271.db2.gz YEUZVFOWHVQHBH-UHFFFAOYSA-N 2 2 239.323 0.318 20 0 BCADLP [NH3+]CCCCCC[N@H+]1CCn2c(n[nH]c2=O)C1 ZINC000846221392 588261272 /nfs/dbraw/zinc/26/12/72/588261272.db2.gz YEUZVFOWHVQHBH-UHFFFAOYSA-N 2 2 239.323 0.318 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCC1CCC1 ZINC000846671254 588281692 /nfs/dbraw/zinc/28/16/92/588281692.db2.gz PPVNEFWPSUDWGS-LLVKDONJSA-N 2 2 227.352 0.572 20 0 BCADLP CSCC[C@@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000846670663 588281851 /nfs/dbraw/zinc/28/18/51/588281851.db2.gz HFXJUECNWZVMOR-NXEZZACHSA-N 2 2 247.408 0.523 20 0 BCADLP C[C@H](CC(=O)N[C@@H](C)C[NH3+])n1cc[nH+]c1 ZINC000846675404 588282089 /nfs/dbraw/zinc/28/20/89/588282089.db2.gz RPQHNDNEHVFQJW-DTWKUNHWSA-N 2 2 210.281 0.298 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@H](O)C2CC2)C1 ZINC000846838281 588292119 /nfs/dbraw/zinc/29/21/19/588292119.db2.gz MZFVHHSNELSBKZ-VXGBXAGGSA-N 2 2 235.331 0.980 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H](O)C2CC2)C1 ZINC000846838281 588292120 /nfs/dbraw/zinc/29/21/20/588292120.db2.gz MZFVHHSNELSBKZ-VXGBXAGGSA-N 2 2 235.331 0.980 20 0 BCADLP CON1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000846975091 588299619 /nfs/dbraw/zinc/29/96/19/588299619.db2.gz KBIFFYWDQIBKFE-UHFFFAOYSA-N 2 2 238.335 0.532 20 0 BCADLP C[NH2+][C@@H](C)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000848429639 588383564 /nfs/dbraw/zinc/38/35/64/588383564.db2.gz UHFBVEZKKPZAPM-IUCAKERBSA-N 2 2 222.292 0.681 20 0 BCADLP CC(C)(CNC(=[NH2+])N1CCC1)[NH+]1CCOCC1 ZINC000848981666 588424205 /nfs/dbraw/zinc/42/42/05/588424205.db2.gz OKLMHBKOIKNGDX-UHFFFAOYSA-N 2 2 240.351 0.327 20 0 BCADLP CCN(CC)C(=[NH2+])NCC[N@@H+]1CCCOCC1 ZINC000849021140 588438872 /nfs/dbraw/zinc/43/88/72/588438872.db2.gz TXJZWSWHRYEHOD-UHFFFAOYSA-N 2 2 242.367 0.575 20 0 BCADLP CCN(CC)C(=[NH2+])NCC[N@H+]1CCCOCC1 ZINC000849021140 588438873 /nfs/dbraw/zinc/43/88/73/588438873.db2.gz TXJZWSWHRYEHOD-UHFFFAOYSA-N 2 2 242.367 0.575 20 0 BCADLP [NH2+]=C(NCc1c[nH+]c2n1CCCC2)N1CCC1 ZINC000849026870 588440952 /nfs/dbraw/zinc/44/09/52/588440952.db2.gz KJUICYIDIKWRSV-UHFFFAOYSA-N 2 2 233.319 0.949 20 0 BCADLP CN(C(=[NH2+])NCCc1cn(C)c[nH+]1)C1CC1 ZINC000849039896 588447198 /nfs/dbraw/zinc/44/71/98/588447198.db2.gz XPDUNTOHWOQPRZ-UHFFFAOYSA-N 2 2 221.308 0.581 20 0 BCADLP C[C@H]([NH3+])c1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000849148981 588455939 /nfs/dbraw/zinc/45/59/39/588455939.db2.gz ARAMUZMBUAPMPC-ZETCQYMHSA-N 2 2 219.248 0.174 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CCN(C=O)CC2)C1 ZINC000850557636 588560165 /nfs/dbraw/zinc/56/01/65/588560165.db2.gz XEIWBJULOHKBBU-CYBMUJFWSA-N 2 2 239.363 0.681 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CCN(C=O)CC2)C1 ZINC000850557636 588560167 /nfs/dbraw/zinc/56/01/67/588560167.db2.gz XEIWBJULOHKBBU-CYBMUJFWSA-N 2 2 239.363 0.681 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC000851867562 588636631 /nfs/dbraw/zinc/63/66/31/588636631.db2.gz IRWGSCBQAGYHML-VIFPVBQESA-N 2 2 233.275 0.793 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC000851867562 588636632 /nfs/dbraw/zinc/63/66/32/588636632.db2.gz IRWGSCBQAGYHML-VIFPVBQESA-N 2 2 233.275 0.793 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C[C@@H](O)C[NH+]1CCCC1 ZINC000852283831 588676174 /nfs/dbraw/zinc/67/61/74/588676174.db2.gz CBBMSYBKIZWQTL-GFCCVEGCSA-N 2 2 238.335 0.298 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C[C@@H](O)C[NH+]1CCCC1 ZINC000852283831 588676175 /nfs/dbraw/zinc/67/61/75/588676175.db2.gz CBBMSYBKIZWQTL-GFCCVEGCSA-N 2 2 238.335 0.298 20 0 BCADLP COCC[N@H+](CCF)CCc1c[nH+]cn1C ZINC000852479317 588683394 /nfs/dbraw/zinc/68/33/94/588683394.db2.gz CCPSWBVUMBISQJ-UHFFFAOYSA-N 2 2 229.299 0.881 20 0 BCADLP COCC[N@@H+](CCF)CCc1c[nH+]cn1C ZINC000852479317 588683395 /nfs/dbraw/zinc/68/33/95/588683395.db2.gz CCPSWBVUMBISQJ-UHFFFAOYSA-N 2 2 229.299 0.881 20 0 BCADLP O=C(CCn1cc[nH+]c1)NCC[C@H]1CC[NH2+]C1 ZINC000110796456 588696366 /nfs/dbraw/zinc/69/63/66/588696366.db2.gz WHYGKTFFTDDFNT-LLVKDONJSA-N 2 2 236.319 0.389 20 0 BCADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H]1C[NH2+]CCO1 ZINC000852746410 588698936 /nfs/dbraw/zinc/69/89/36/588698936.db2.gz KYDFVSGESVQIGX-WVMKXHBISA-N 3 2 239.363 0.319 20 0 BCADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1C[NH2+]CCO1 ZINC000852746410 588698937 /nfs/dbraw/zinc/69/89/37/588698937.db2.gz KYDFVSGESVQIGX-WVMKXHBISA-N 3 2 239.363 0.319 20 0 BCADLP COC(=O)[C@@]1(F)CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000852753810 588700691 /nfs/dbraw/zinc/70/06/91/588700691.db2.gz SKUIJPVGARAGHE-MWLCHTKSSA-N 2 2 230.283 0.183 20 0 BCADLP COC(=O)[C@@]1(F)CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000852753810 588700692 /nfs/dbraw/zinc/70/06/92/588700692.db2.gz SKUIJPVGARAGHE-MWLCHTKSSA-N 2 2 230.283 0.183 20 0 BCADLP COC(=O)[C@]1(F)CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000852753811 588700727 /nfs/dbraw/zinc/70/07/27/588700727.db2.gz SKUIJPVGARAGHE-ONGXEEELSA-N 2 2 230.283 0.183 20 0 BCADLP COC(=O)[C@]1(F)CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000852753811 588700728 /nfs/dbraw/zinc/70/07/28/588700728.db2.gz SKUIJPVGARAGHE-ONGXEEELSA-N 2 2 230.283 0.183 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852754338 588700753 /nfs/dbraw/zinc/70/07/53/588700753.db2.gz TWUYSPZQOOGEPY-MRVPVSSYSA-N 2 2 209.293 0.203 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852754338 588700754 /nfs/dbraw/zinc/70/07/54/588700754.db2.gz TWUYSPZQOOGEPY-MRVPVSSYSA-N 2 2 209.293 0.203 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1C=CCC1 ZINC000852847875 588708128 /nfs/dbraw/zinc/70/81/28/588708128.db2.gz WEOYWUVQCJVAJW-VHSXEESVSA-N 2 2 211.309 0.100 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C=C1CC[NH2+]CC1 ZINC000852860154 588709192 /nfs/dbraw/zinc/70/91/92/588709192.db2.gz LIRUJMMSZGCDGO-LLVKDONJSA-N 2 2 248.330 0.698 20 0 BCADLP Cc1c[nH]c(CN2CCC[N@@H+](C)CC2)[nH+]1 ZINC000862210387 589194342 /nfs/dbraw/zinc/19/43/42/589194342.db2.gz KKFZXXZTEBONGH-UHFFFAOYSA-N 2 2 208.309 0.856 20 0 BCADLP Cc1c[nH]c(CN2CCC[N@H+](C)CC2)[nH+]1 ZINC000862210387 589194344 /nfs/dbraw/zinc/19/43/44/589194344.db2.gz KKFZXXZTEBONGH-UHFFFAOYSA-N 2 2 208.309 0.856 20 0 BCADLP COC(=O)C1=CC[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000863542314 589297427 /nfs/dbraw/zinc/29/74/27/589297427.db2.gz PCXJYVZOFNEBCT-USWWRNFRSA-N 2 2 238.331 0.836 20 0 BCADLP C[NH+](C)CC1(O)CC[NH+](Cc2cnc[nH]2)CC1 ZINC000864050180 589335010 /nfs/dbraw/zinc/33/50/10/589335010.db2.gz XRKFGHYTEGPQET-UHFFFAOYSA-N 2 2 238.335 0.298 20 0 BCADLP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[NH+]1CCSCC1 ZINC000864458778 589368377 /nfs/dbraw/zinc/36/83/77/589368377.db2.gz SIBYPPWUMVYQKC-NXEZZACHSA-N 2 2 242.392 0.558 20 0 BCADLP CC(C)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866412607 589490914 /nfs/dbraw/zinc/49/09/14/589490914.db2.gz AHYMSIAHAYZYHH-JTQLQIEISA-N 2 2 200.326 0.830 20 0 BCADLP CC(C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866412607 589490916 /nfs/dbraw/zinc/49/09/16/589490916.db2.gz AHYMSIAHAYZYHH-JTQLQIEISA-N 2 2 200.326 0.830 20 0 BCADLP C[C@@H](CCO)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866413293 589491034 /nfs/dbraw/zinc/49/10/34/589491034.db2.gz GTZDGZYLVYMEGI-QWRGUYRKSA-N 2 2 230.352 0.192 20 0 BCADLP C[C@@H](CCO)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866413293 589491035 /nfs/dbraw/zinc/49/10/35/589491035.db2.gz GTZDGZYLVYMEGI-QWRGUYRKSA-N 2 2 230.352 0.192 20 0 BCADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCOC2)C1 ZINC000866413335 589491132 /nfs/dbraw/zinc/49/11/32/589491132.db2.gz HKOOHIWPEJTQDR-NWDGAFQWSA-N 2 2 242.363 0.600 20 0 BCADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCOC2)C1 ZINC000866413335 589491134 /nfs/dbraw/zinc/49/11/34/589491134.db2.gz HKOOHIWPEJTQDR-NWDGAFQWSA-N 2 2 242.363 0.600 20 0 BCADLP CCOC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866413020 589491300 /nfs/dbraw/zinc/49/13/00/589491300.db2.gz DYRLCPJSWSCPAY-NEPJUHHUSA-N 2 2 244.379 0.846 20 0 BCADLP CCOC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866413020 589491301 /nfs/dbraw/zinc/49/13/01/589491301.db2.gz DYRLCPJSWSCPAY-NEPJUHHUSA-N 2 2 244.379 0.846 20 0 BCADLP CO[C@@H](C)[C@@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866414807 589491849 /nfs/dbraw/zinc/49/18/49/589491849.db2.gz SYQONEFYDGTCMH-WOPDTQHZSA-N 2 2 244.379 0.845 20 0 BCADLP CO[C@@H](C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866414807 589491850 /nfs/dbraw/zinc/49/18/50/589491850.db2.gz SYQONEFYDGTCMH-WOPDTQHZSA-N 2 2 244.379 0.845 20 0 BCADLP Cc1cccnc1NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000866659864 589508176 /nfs/dbraw/zinc/50/81/76/589508176.db2.gz WDWRBLOTXJCJCK-NSHDSACASA-N 2 2 248.330 0.609 20 0 BCADLP Cc1cccnc1NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000866659864 589508177 /nfs/dbraw/zinc/50/81/77/589508177.db2.gz WDWRBLOTXJCJCK-NSHDSACASA-N 2 2 248.330 0.609 20 0 BCADLP NC(=O)c1ccc(CC[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000866659804 589508320 /nfs/dbraw/zinc/50/83/20/589508320.db2.gz UYHRUEYFYGVCFQ-LBPRGKRZSA-N 2 2 233.315 0.361 20 0 BCADLP NC(=O)c1ccc(CC[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000866659804 589508322 /nfs/dbraw/zinc/50/83/22/589508322.db2.gz UYHRUEYFYGVCFQ-LBPRGKRZSA-N 2 2 233.315 0.361 20 0 BCADLP c1nc2n(n1)[C@@H](C[N@@H+]1CC[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC000866666729 589509809 /nfs/dbraw/zinc/50/98/09/589509809.db2.gz VZOFSRPRUSNWBR-MXWKQRLJSA-N 2 2 233.319 0.059 20 0 BCADLP c1nc2n(n1)[C@@H](C[N@H+]1CC[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC000866666729 589509810 /nfs/dbraw/zinc/50/98/10/589509810.db2.gz VZOFSRPRUSNWBR-MXWKQRLJSA-N 2 2 233.319 0.059 20 0 BCADLP CCn1ncc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000866672779 589510707 /nfs/dbraw/zinc/51/07/07/589510707.db2.gz RHVKNQAGROWHBV-NXEZZACHSA-N 2 2 223.324 0.325 20 0 BCADLP CCn1ncc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000866672779 589510708 /nfs/dbraw/zinc/51/07/08/589510708.db2.gz RHVKNQAGROWHBV-NXEZZACHSA-N 2 2 223.324 0.325 20 0 BCADLP OCC[NH2+]C1CC[NH+](CCOC(F)F)CC1 ZINC000866682407 589511206 /nfs/dbraw/zinc/51/12/06/589511206.db2.gz MUXSHJDTUJTVGM-UHFFFAOYSA-N 2 2 238.278 0.272 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000866704406 589513707 /nfs/dbraw/zinc/51/37/07/589513707.db2.gz UJIAKHCBNXKUJY-WOPDTQHZSA-N 2 2 242.388 0.660 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000866704406 589513709 /nfs/dbraw/zinc/51/37/09/589513709.db2.gz UJIAKHCBNXKUJY-WOPDTQHZSA-N 2 2 242.388 0.660 20 0 BCADLP COC(=O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866709436 589514814 /nfs/dbraw/zinc/51/48/14/589514814.db2.gz XRAHLHMMVTXXJR-GFCCVEGCSA-N 2 2 228.336 0.856 20 0 BCADLP COC(=O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866709436 589514815 /nfs/dbraw/zinc/51/48/15/589514815.db2.gz XRAHLHMMVTXXJR-GFCCVEGCSA-N 2 2 228.336 0.856 20 0 BCADLP Nc1cc(CN2CCC[C@H]3[NH2+]CC[C@H]32)cc[nH+]1 ZINC000866723836 589515588 /nfs/dbraw/zinc/51/55/88/589515588.db2.gz JCXDWDPRMALROX-VXGBXAGGSA-N 2 2 232.331 0.990 20 0 BCADLP c1nc2n(n1)[C@H](C[N@@H+]1CCC[C@H]3[NH2+]CC[C@H]31)CC2 ZINC000866723306 589515973 /nfs/dbraw/zinc/51/59/73/589515973.db2.gz GLJBHCULXFXUNA-QJPTWQEYSA-N 2 2 247.346 0.592 20 0 BCADLP c1nc2n(n1)[C@H](C[N@H+]1CCC[C@H]3[NH2+]CC[C@H]31)CC2 ZINC000866723306 589515975 /nfs/dbraw/zinc/51/59/75/589515975.db2.gz GLJBHCULXFXUNA-QJPTWQEYSA-N 2 2 247.346 0.592 20 0 BCADLP C[C@@H]([NH3+])C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000867998807 589543190 /nfs/dbraw/zinc/54/31/90/589543190.db2.gz INUWKPGRCSIADO-SKDRFNHKSA-N 2 2 233.315 0.637 20 0 BCADLP C[C@@H]([NH3+])C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000867998807 589543192 /nfs/dbraw/zinc/54/31/92/589543192.db2.gz INUWKPGRCSIADO-SKDRFNHKSA-N 2 2 233.315 0.637 20 0 BCADLP C[C@@H](CC(=O)N1CC[C@@](C)([NH3+])C1)n1cc[nH+]c1 ZINC000868080549 589549041 /nfs/dbraw/zinc/54/90/41/589549041.db2.gz WPZHTBQGCNBGFU-CMPLNLGQSA-N 2 2 236.319 0.784 20 0 BCADLP C[C@H](CC(=O)N1CC[C@](C)([NH3+])C1)n1cc[nH+]c1 ZINC000868080551 589549103 /nfs/dbraw/zinc/54/91/03/589549103.db2.gz WPZHTBQGCNBGFU-PWSUYJOCSA-N 2 2 236.319 0.784 20 0 BCADLP [NH3+][C@H]1C[C@H](CNC(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000870970610 589703000 /nfs/dbraw/zinc/70/30/00/589703000.db2.gz BUGUAIUUFYELLB-HOMQSWHASA-N 2 2 244.298 0.801 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H](C)C2CC[NH2+]CC2)c[nH+]1 ZINC000870985935 589706106 /nfs/dbraw/zinc/70/61/06/589706106.db2.gz KSPCSJJKSATCQG-MRVPVSSYSA-N 2 2 236.319 0.836 20 0 BCADLP C[NH2+]CC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000871019604 589712943 /nfs/dbraw/zinc/71/29/43/589712943.db2.gz AHQCZGXPEWIGBT-UHFFFAOYSA-N 2 2 234.303 0.079 20 0 BCADLP C[C@H]([NH3+])C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000871021848 589713873 /nfs/dbraw/zinc/71/38/73/589713873.db2.gz WXNPJLMLQRTJEN-VIFPVBQESA-N 2 2 234.303 0.207 20 0 BCADLP CC1(C)CO[C@@H](C[N@H+](CC[NH3+])CCO)C1 ZINC000872142718 589883165 /nfs/dbraw/zinc/88/31/65/589883165.db2.gz BFUIEJVUVCRIMH-SNVBAGLBSA-N 2 2 216.325 0.055 20 0 BCADLP CC1(C)CO[C@@H](C[N@@H+](CC[NH3+])CCO)C1 ZINC000872142718 589883167 /nfs/dbraw/zinc/88/31/67/589883167.db2.gz BFUIEJVUVCRIMH-SNVBAGLBSA-N 2 2 216.325 0.055 20 0 BCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153769 589885206 /nfs/dbraw/zinc/88/52/06/589885206.db2.gz IMYXHIFXUHUOKM-WCQYABFASA-N 2 2 249.362 0.648 20 0 BCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153769 589885208 /nfs/dbraw/zinc/88/52/08/589885208.db2.gz IMYXHIFXUHUOKM-WCQYABFASA-N 2 2 249.362 0.648 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCOC(F)F)C2 ZINC000872153459 589885316 /nfs/dbraw/zinc/88/53/16/589885316.db2.gz CFURWBVTLUJPFS-WCBMZHEXSA-N 2 2 220.263 0.767 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCOC(F)F)C2 ZINC000872153459 589885317 /nfs/dbraw/zinc/88/53/17/589885317.db2.gz CFURWBVTLUJPFS-WCBMZHEXSA-N 2 2 220.263 0.767 20 0 BCADLP COCC1([N@H+](C)C[C@H]2C[NH2+]CCO2)CCC1 ZINC000872158169 589886201 /nfs/dbraw/zinc/88/62/01/589886201.db2.gz YTCIKIVZRKYIIN-LLVKDONJSA-N 2 2 228.336 0.476 20 0 BCADLP COCC1([N@@H+](C)C[C@H]2C[NH2+]CCO2)CCC1 ZINC000872158169 589886203 /nfs/dbraw/zinc/88/62/03/589886203.db2.gz YTCIKIVZRKYIIN-LLVKDONJSA-N 2 2 228.336 0.476 20 0 BCADLP Nc1cnc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000873210736 589995537 /nfs/dbraw/zinc/99/55/37/589995537.db2.gz PYCBDSHQRICBNY-MWLCHTKSSA-N 2 2 233.319 0.243 20 0 BCADLP Nc1cnc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000873210736 589995538 /nfs/dbraw/zinc/99/55/38/589995538.db2.gz PYCBDSHQRICBNY-MWLCHTKSSA-N 2 2 233.319 0.243 20 0 BCADLP C[C@H](C[NH3+])[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211855 589996052 /nfs/dbraw/zinc/99/60/52/589996052.db2.gz FKFBQSWCIDHRCW-MRVPVSSYSA-N 3 2 225.361 0.831 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(N)cn2)CC[NH2+]1 ZINC000873212506 589996466 /nfs/dbraw/zinc/99/64/66/589996466.db2.gz MQTMTJGTBSIHJZ-IUCAKERBSA-N 2 2 221.308 0.289 20 0 BCADLP O=C1CCC2=C(CC[N@H+](CC34CC(C3)C[NH2+]4)C2)N1 ZINC000873213751 589996789 /nfs/dbraw/zinc/99/67/89/589996789.db2.gz OSEJAQFEKUWEIK-UHFFFAOYSA-N 2 2 247.342 0.608 20 0 BCADLP O=C1CCC2=C(CC[N@@H+](CC34CC(C3)C[NH2+]4)C2)N1 ZINC000873213751 589996791 /nfs/dbraw/zinc/99/67/91/589996791.db2.gz OSEJAQFEKUWEIK-UHFFFAOYSA-N 2 2 247.342 0.608 20 0 BCADLP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnc(N)cn1 ZINC000873213320 589997197 /nfs/dbraw/zinc/99/71/97/589997197.db2.gz VGMLKUMWYJOZDP-WPRPVWTQSA-N 2 2 221.308 0.146 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000873255697 590010933 /nfs/dbraw/zinc/01/09/33/590010933.db2.gz IHOWCSVJMMMFAC-DDHJBXDOSA-N 3 2 223.364 0.939 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000873255697 590010937 /nfs/dbraw/zinc/01/09/37/590010937.db2.gz IHOWCSVJMMMFAC-DDHJBXDOSA-N 3 2 223.364 0.939 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000873281803 590018704 /nfs/dbraw/zinc/01/87/04/590018704.db2.gz BTPRQNWPKLZTHK-ZJUUUORDSA-N 2 2 213.325 0.324 20 0 BCADLP Cc1nonc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000873295519 590023791 /nfs/dbraw/zinc/02/37/91/590023791.db2.gz JFZRWKGVWLZMIU-BDAKNGLRSA-N 2 2 210.281 0.595 20 0 BCADLP Cc1nonc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000873295521 590023888 /nfs/dbraw/zinc/02/38/88/590023888.db2.gz JFZRWKGVWLZMIU-IUCAKERBSA-N 2 2 210.281 0.595 20 0 BCADLP O[C@H]1C[C@H](C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000873296196 590024099 /nfs/dbraw/zinc/02/40/99/590024099.db2.gz CRMDWNYQMXHFEI-JHEVNIALSA-N 2 2 240.347 0.114 20 0 BCADLP Cc1nonc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000873295522 590024491 /nfs/dbraw/zinc/02/44/91/590024491.db2.gz JFZRWKGVWLZMIU-RKDXNWHRSA-N 2 2 210.281 0.595 20 0 BCADLP Cc1nonc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000873295386 590024514 /nfs/dbraw/zinc/02/45/14/590024514.db2.gz HGDHFHGYFUVVTR-NXEZZACHSA-N 2 2 224.308 0.985 20 0 BCADLP O=C(C[NH+]1CCCC1)NCCCn1cc[nH+]c1 ZINC000873732868 590069199 /nfs/dbraw/zinc/06/91/99/590069199.db2.gz NQFQELXNQKEWBB-UHFFFAOYSA-N 2 2 236.319 0.485 20 0 BCADLP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC000874831274 590143184 /nfs/dbraw/zinc/14/31/84/590143184.db2.gz YYWSYVCXUOHKFB-MNOVXSKESA-N 2 2 248.330 0.647 20 0 BCADLP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC000874831274 590143187 /nfs/dbraw/zinc/14/31/87/590143187.db2.gz YYWSYVCXUOHKFB-MNOVXSKESA-N 2 2 248.330 0.647 20 0 BCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccoc1 ZINC000125903647 590196935 /nfs/dbraw/zinc/19/69/35/590196935.db2.gz JADAVEOJZOGLQY-NSHDSACASA-N 2 2 212.293 0.682 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876753482 590238181 /nfs/dbraw/zinc/23/81/81/590238181.db2.gz LKCDOMOIXYPBNH-GXSJLCMTSA-N 2 2 237.278 0.698 20 0 BCADLP C[NH2+]CCN(C)C(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000876791348 590241437 /nfs/dbraw/zinc/24/14/37/590241437.db2.gz CLVPNDGZXIYDKJ-UHFFFAOYSA-N 2 2 246.314 0.934 20 0 BCADLP O=C(/C=C/[C@H]1CCC[NH2+]C1)NCc1c[nH+]c[nH]1 ZINC000876882502 590252710 /nfs/dbraw/zinc/25/27/10/590252710.db2.gz JTIOERFAVGMCNV-HMDXOVGESA-N 2 2 234.303 0.582 20 0 BCADLP O=C(C=C[C@H]1CCC[NH2+]C1)NCc1c[nH]c[nH+]1 ZINC000876882502 590252711 /nfs/dbraw/zinc/25/27/11/590252711.db2.gz JTIOERFAVGMCNV-HMDXOVGESA-N 2 2 234.303 0.582 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876956282 590260981 /nfs/dbraw/zinc/26/09/81/590260981.db2.gz ITJHNGIIQWGKIJ-DOGVGXBMSA-N 2 2 248.330 0.924 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876956282 590260983 /nfs/dbraw/zinc/26/09/83/590260983.db2.gz ITJHNGIIQWGKIJ-DOGVGXBMSA-N 2 2 248.330 0.924 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876956916 590261030 /nfs/dbraw/zinc/26/10/30/590261030.db2.gz RMAYJESOMAPTPB-NXEZZACHSA-N 2 2 236.319 0.742 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876956916 590261031 /nfs/dbraw/zinc/26/10/31/590261031.db2.gz RMAYJESOMAPTPB-NXEZZACHSA-N 2 2 236.319 0.742 20 0 BCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000877020183 590269890 /nfs/dbraw/zinc/26/98/90/590269890.db2.gz YWHJPTYAEPHFOQ-WOPDTQHZSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000877020183 590269891 /nfs/dbraw/zinc/26/98/91/590269891.db2.gz YWHJPTYAEPHFOQ-WOPDTQHZSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@@H]([NH3+])CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000877105941 590284793 /nfs/dbraw/zinc/28/47/93/590284793.db2.gz TXUJOBBKHXWCSQ-NXEZZACHSA-N 2 2 224.308 0.640 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000877233260 590301683 /nfs/dbraw/zinc/30/16/83/590301683.db2.gz PUWDSFZTIQWSAM-DOGVGXBMSA-N 2 2 248.330 0.924 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877741318 590408581 /nfs/dbraw/zinc/40/85/81/590408581.db2.gz ANVFUEVNMQGKFY-YPMHNXCESA-N 2 2 234.347 0.946 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877741318 590408584 /nfs/dbraw/zinc/40/85/84/590408584.db2.gz ANVFUEVNMQGKFY-YPMHNXCESA-N 2 2 234.347 0.946 20 0 BCADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc[nH]n3)CC[C@@H]21 ZINC000877744664 590412264 /nfs/dbraw/zinc/41/22/64/590412264.db2.gz WNJRIQFWTMVGTJ-JQWIXIFHSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cc[nH]n3)CC[C@@H]21 ZINC000877744664 590412265 /nfs/dbraw/zinc/41/22/65/590412265.db2.gz WNJRIQFWTMVGTJ-JQWIXIFHSA-N 2 2 220.320 0.936 20 0 BCADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cc[nH]n3)CC[C@@H]21 ZINC000877744664 590412266 /nfs/dbraw/zinc/41/22/66/590412266.db2.gz WNJRIQFWTMVGTJ-JQWIXIFHSA-N 2 2 220.320 0.936 20 0 BCADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc[nH]n3)CC[C@@H]21 ZINC000877744664 590412267 /nfs/dbraw/zinc/41/22/67/590412267.db2.gz WNJRIQFWTMVGTJ-JQWIXIFHSA-N 2 2 220.320 0.936 20 0 BCADLP CC[NH+]1CCC([N@H+](C)CCn2cnnn2)CC1 ZINC000878164645 590511860 /nfs/dbraw/zinc/51/18/60/590511860.db2.gz LSUHKILGQULQNK-UHFFFAOYSA-N 2 2 238.339 0.089 20 0 BCADLP CC[NH+]1CCC([N@@H+](C)CCn2cnnn2)CC1 ZINC000878164645 590511863 /nfs/dbraw/zinc/51/18/63/590511863.db2.gz LSUHKILGQULQNK-UHFFFAOYSA-N 2 2 238.339 0.089 20 0 BCADLP CO[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000878165858 590513233 /nfs/dbraw/zinc/51/32/33/590513233.db2.gz GEUAAHHUCYPLHX-LLVKDONJSA-N 2 2 209.293 0.683 20 0 BCADLP CO[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000878165858 590513235 /nfs/dbraw/zinc/51/32/35/590513235.db2.gz GEUAAHHUCYPLHX-LLVKDONJSA-N 2 2 209.293 0.683 20 0 BCADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCn3cnnn3)C2)[nH]1 ZINC000878252288 590529913 /nfs/dbraw/zinc/52/99/13/590529913.db2.gz HNFOYVBJVCWKTJ-SNVBAGLBSA-N 2 2 247.306 0.276 20 0 BCADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCn3cnnn3)C2)[nH]1 ZINC000878252288 590529915 /nfs/dbraw/zinc/52/99/15/590529915.db2.gz HNFOYVBJVCWKTJ-SNVBAGLBSA-N 2 2 247.306 0.276 20 0 BCADLP C[C@H]1CN(CCc2c[nH+]cn2C)CC[N@@H+]1C ZINC000878316435 590543302 /nfs/dbraw/zinc/54/33/02/590543302.db2.gz JAEYDSZDMLVSLQ-NSHDSACASA-N 2 2 222.336 0.599 20 0 BCADLP C[C@H]1CN(CCc2c[nH+]cn2C)CC[N@H+]1C ZINC000878316435 590543305 /nfs/dbraw/zinc/54/33/05/590543305.db2.gz JAEYDSZDMLVSLQ-NSHDSACASA-N 2 2 222.336 0.599 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000878482614 590577543 /nfs/dbraw/zinc/57/75/43/590577543.db2.gz VFYYBNWLTRQFPF-CMPLNLGQSA-N 2 2 221.304 0.277 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000878482614 590577544 /nfs/dbraw/zinc/57/75/44/590577544.db2.gz VFYYBNWLTRQFPF-CMPLNLGQSA-N 2 2 221.304 0.277 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000878669505 590606571 /nfs/dbraw/zinc/60/65/71/590606571.db2.gz FMDKROQKTRRXNT-LLVKDONJSA-N 2 2 245.273 0.665 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000878669505 590606572 /nfs/dbraw/zinc/60/65/72/590606572.db2.gz FMDKROQKTRRXNT-LLVKDONJSA-N 2 2 245.273 0.665 20 0 BCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570332 590806349 /nfs/dbraw/zinc/80/63/49/590806349.db2.gz GUPRADCCJNOJDN-NWDGAFQWSA-N 2 2 239.363 0.491 20 0 BCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570332 590806350 /nfs/dbraw/zinc/80/63/50/590806350.db2.gz GUPRADCCJNOJDN-NWDGAFQWSA-N 2 2 239.363 0.491 20 0 BCADLP CCN(C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879570332 590806351 /nfs/dbraw/zinc/80/63/51/590806351.db2.gz GUPRADCCJNOJDN-NWDGAFQWSA-N 2 2 239.363 0.491 20 0 BCADLP CCN(C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879570332 590806352 /nfs/dbraw/zinc/80/63/52/590806352.db2.gz GUPRADCCJNOJDN-NWDGAFQWSA-N 2 2 239.363 0.491 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879566621 590807057 /nfs/dbraw/zinc/80/70/57/590807057.db2.gz HYMBHAJENIFSGI-WDEREUQCSA-N 2 2 225.336 0.101 20 0 BCADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879566621 590807059 /nfs/dbraw/zinc/80/70/59/590807059.db2.gz HYMBHAJENIFSGI-WDEREUQCSA-N 2 2 225.336 0.101 20 0 BCADLP CN(C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879566621 590807061 /nfs/dbraw/zinc/80/70/61/590807061.db2.gz HYMBHAJENIFSGI-WDEREUQCSA-N 2 2 225.336 0.101 20 0 BCADLP CN(C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879566621 590807063 /nfs/dbraw/zinc/80/70/63/590807063.db2.gz HYMBHAJENIFSGI-WDEREUQCSA-N 2 2 225.336 0.101 20 0 BCADLP C[N@@H+]1CC[C@H]2C[NH+](CC(=O)N3CCC3)CC[C@@H]21 ZINC000879573315 590811513 /nfs/dbraw/zinc/81/15/13/590811513.db2.gz WIKGRTIXWYXRAJ-RYUDHWBXSA-N 2 2 237.347 0.245 20 0 BCADLP C[N@H+]1CC[C@H]2C[NH+](CC(=O)N3CCC3)CC[C@@H]21 ZINC000879573315 590811517 /nfs/dbraw/zinc/81/15/17/590811517.db2.gz WIKGRTIXWYXRAJ-RYUDHWBXSA-N 2 2 237.347 0.245 20 0 BCADLP C[NH+]1CC[C@H]2C[N@H+](CC(=O)N3CCC3)CC[C@@H]21 ZINC000879573315 590811524 /nfs/dbraw/zinc/81/15/24/590811524.db2.gz WIKGRTIXWYXRAJ-RYUDHWBXSA-N 2 2 237.347 0.245 20 0 BCADLP C[NH+]1CC[C@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]21 ZINC000879573315 590811533 /nfs/dbraw/zinc/81/15/33/590811533.db2.gz WIKGRTIXWYXRAJ-RYUDHWBXSA-N 2 2 237.347 0.245 20 0 BCADLP Cn1c[nH+]c(CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000879580446 590820762 /nfs/dbraw/zinc/82/07/62/590820762.db2.gz HROAGBSQGVMHNW-AAEUAGOBSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1c[nH+]c(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000879580446 590820763 /nfs/dbraw/zinc/82/07/63/590820763.db2.gz HROAGBSQGVMHNW-AAEUAGOBSA-N 2 2 234.347 0.946 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](CC[S@@](C)=O)CC[C@H]21 ZINC000879580830 590820827 /nfs/dbraw/zinc/82/08/27/590820827.db2.gz LCPOBNZDANGBJL-UEKVPHQBSA-N 2 2 230.377 0.391 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](CC[S@@](C)=O)CC[C@H]21 ZINC000879580830 590820830 /nfs/dbraw/zinc/82/08/30/590820830.db2.gz LCPOBNZDANGBJL-UEKVPHQBSA-N 2 2 230.377 0.391 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](CC[S@@](C)=O)CC[C@H]21 ZINC000879580830 590820831 /nfs/dbraw/zinc/82/08/31/590820831.db2.gz LCPOBNZDANGBJL-UEKVPHQBSA-N 2 2 230.377 0.391 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](CC[S@@](C)=O)CC[C@H]21 ZINC000879580830 590820834 /nfs/dbraw/zinc/82/08/34/590820834.db2.gz LCPOBNZDANGBJL-UEKVPHQBSA-N 2 2 230.377 0.391 20 0 BCADLP CON(C)C(=O)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879582283 590821577 /nfs/dbraw/zinc/82/15/77/590821577.db2.gz RDOQOJGTRWWYGP-MNOVXSKESA-N 2 2 241.335 0.032 20 0 BCADLP CON(C)C(=O)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879582283 590821579 /nfs/dbraw/zinc/82/15/79/590821579.db2.gz RDOQOJGTRWWYGP-MNOVXSKESA-N 2 2 241.335 0.032 20 0 BCADLP CON(C)C(=O)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879582283 590821582 /nfs/dbraw/zinc/82/15/82/590821582.db2.gz RDOQOJGTRWWYGP-MNOVXSKESA-N 2 2 241.335 0.032 20 0 BCADLP CON(C)C(=O)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879582283 590821584 /nfs/dbraw/zinc/82/15/84/590821584.db2.gz RDOQOJGTRWWYGP-MNOVXSKESA-N 2 2 241.335 0.032 20 0 BCADLP Cn1c[nH+]c(CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000879580448 590821649 /nfs/dbraw/zinc/82/16/49/590821649.db2.gz HROAGBSQGVMHNW-WCQYABFASA-N 2 2 234.347 0.946 20 0 BCADLP Cn1c[nH+]c(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000879580448 590821650 /nfs/dbraw/zinc/82/16/50/590821650.db2.gz HROAGBSQGVMHNW-WCQYABFASA-N 2 2 234.347 0.946 20 0 BCADLP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879610866 590829490 /nfs/dbraw/zinc/82/94/90/590829490.db2.gz VMMHGIVGQLAOQN-NEPJUHHUSA-N 2 2 230.352 0.146 20 0 BCADLP CC[NH+](CC)CCC[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879610866 590829494 /nfs/dbraw/zinc/82/94/94/590829494.db2.gz VMMHGIVGQLAOQN-NEPJUHHUSA-N 2 2 230.352 0.146 20 0 BCADLP CC1(C)C[C@@H](O)C[N@H+](CCn2cc[nH+]c2)C1 ZINC000879622923 590836787 /nfs/dbraw/zinc/83/67/87/590836787.db2.gz PJBZIGZNBLISDY-LLVKDONJSA-N 2 2 223.320 0.976 20 0 BCADLP CC1(C)C[C@@H](O)C[N@@H+](CCn2cc[nH+]c2)C1 ZINC000879622923 590836788 /nfs/dbraw/zinc/83/67/88/590836788.db2.gz PJBZIGZNBLISDY-LLVKDONJSA-N 2 2 223.320 0.976 20 0 BCADLP COCCOCC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880133117 590934972 /nfs/dbraw/zinc/93/49/72/590934972.db2.gz NCUVTLYYTIWEQJ-QWHCGFSZSA-N 2 2 242.363 0.818 20 0 BCADLP COCCOCC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880133117 590934973 /nfs/dbraw/zinc/93/49/73/590934973.db2.gz NCUVTLYYTIWEQJ-QWHCGFSZSA-N 2 2 242.363 0.818 20 0 BCADLP COCCOCC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880133117 590934976 /nfs/dbraw/zinc/93/49/76/590934976.db2.gz NCUVTLYYTIWEQJ-QWHCGFSZSA-N 2 2 242.363 0.818 20 0 BCADLP COCCOCC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880133117 590934978 /nfs/dbraw/zinc/93/49/78/590934978.db2.gz NCUVTLYYTIWEQJ-QWHCGFSZSA-N 2 2 242.363 0.818 20 0 BCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC2(C1)OCCO2 ZINC000128278619 590955629 /nfs/dbraw/zinc/95/56/29/590955629.db2.gz MRGDMIPQDCTKCJ-LBPRGKRZSA-N 2 2 240.347 0.920 20 0 BCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC2(C1)OCCO2 ZINC000128278619 590955630 /nfs/dbraw/zinc/95/56/30/590955630.db2.gz MRGDMIPQDCTKCJ-LBPRGKRZSA-N 2 2 240.347 0.920 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC2(C1)OCCO2 ZINC000128278619 590955631 /nfs/dbraw/zinc/95/56/31/590955631.db2.gz MRGDMIPQDCTKCJ-LBPRGKRZSA-N 2 2 240.347 0.920 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC2(C1)OCCO2 ZINC000128278619 590955634 /nfs/dbraw/zinc/95/56/34/590955634.db2.gz MRGDMIPQDCTKCJ-LBPRGKRZSA-N 2 2 240.347 0.920 20 0 BCADLP C[S@](=O)CC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473775 591053489 /nfs/dbraw/zinc/05/34/89/591053489.db2.gz NUBQXIRIMLIVDM-INIZCTEOSA-N 2 2 244.404 0.925 20 0 BCADLP OC[C@H]1C=CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000880489120 591065337 /nfs/dbraw/zinc/06/53/37/591065337.db2.gz QMCQUTINLSTDPW-LLVKDONJSA-N 2 2 207.277 0.506 20 0 BCADLP OC[C@H]1C=CC[N@H+]1CCCn1cc[nH+]c1 ZINC000880489120 591065340 /nfs/dbraw/zinc/06/53/40/591065340.db2.gz QMCQUTINLSTDPW-LLVKDONJSA-N 2 2 207.277 0.506 20 0 BCADLP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)C2)C[N@@H+]1C1CC1 ZINC000130312658 591457210 /nfs/dbraw/zinc/45/72/10/591457210.db2.gz BGLNJNZJRBPGSP-UTUOFQBUSA-N 2 2 223.364 0.905 20 0 BCADLP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)C2)C[N@H+]1C1CC1 ZINC000130312658 591457213 /nfs/dbraw/zinc/45/72/13/591457213.db2.gz BGLNJNZJRBPGSP-UTUOFQBUSA-N 2 2 223.364 0.905 20 0 BCADLP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)C2)C[NH+]1C1CC1 ZINC000130312658 591457216 /nfs/dbraw/zinc/45/72/16/591457216.db2.gz BGLNJNZJRBPGSP-UTUOFQBUSA-N 2 2 223.364 0.905 20 0 BCADLP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)C2)C[NH+]1C1CC1 ZINC000130312658 591457219 /nfs/dbraw/zinc/45/72/19/591457219.db2.gz BGLNJNZJRBPGSP-UTUOFQBUSA-N 2 2 223.364 0.905 20 0 BCADLP CO[C@H]1C[C@H](C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000883262940 591599485 /nfs/dbraw/zinc/59/94/85/591599485.db2.gz BDAOAZNDBLZTIA-BJDJZHNGSA-N 2 2 212.337 0.951 20 0 BCADLP CO[C@H]1C[C@H](C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000883262940 591599488 /nfs/dbraw/zinc/59/94/88/591599488.db2.gz BDAOAZNDBLZTIA-BJDJZHNGSA-N 2 2 212.337 0.951 20 0 BCADLP CCN1CC[C@@H]1C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000883354899 591625577 /nfs/dbraw/zinc/62/55/77/591625577.db2.gz DQHROURGEWQMBZ-QJPTWQEYSA-N 2 2 211.353 0.620 20 0 BCADLP CCN1CC[C@@H]1C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000883354899 591625581 /nfs/dbraw/zinc/62/55/81/591625581.db2.gz DQHROURGEWQMBZ-QJPTWQEYSA-N 2 2 211.353 0.620 20 0 BCADLP [NH3+]CC[N@H+](CCO)C[C@@H]1CCC2(CCC2)O1 ZINC000883424890 591659392 /nfs/dbraw/zinc/65/93/92/591659392.db2.gz GJSBSJPUFGPGRO-NSHDSACASA-N 2 2 228.336 0.341 20 0 BCADLP [NH3+]CC[N@@H+](CCO)C[C@@H]1CCC2(CCC2)O1 ZINC000883424890 591659395 /nfs/dbraw/zinc/65/93/95/591659395.db2.gz GJSBSJPUFGPGRO-NSHDSACASA-N 2 2 228.336 0.341 20 0 BCADLP Cc1cn(C(C)(C)C(=O)N2CC[NH2+]CC2)c[nH+]1 ZINC000884008015 591795876 /nfs/dbraw/zinc/79/58/76/591795876.db2.gz YYICZVJWLIIDNY-UHFFFAOYSA-N 2 2 236.319 0.358 20 0 BCADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H]([NH3+])C2)c[nH+]1 ZINC000884020391 591801875 /nfs/dbraw/zinc/80/18/75/591801875.db2.gz XEUJIYCBGJOANH-JTQLQIEISA-N 2 2 236.319 0.486 20 0 BCADLP C[NH2+]CCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000884243089 591881201 /nfs/dbraw/zinc/88/12/01/591881201.db2.gz UTRYNCPKKWPXAS-UHFFFAOYSA-N 2 2 238.335 0.604 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884363498 591916849 /nfs/dbraw/zinc/91/68/49/591916849.db2.gz DGGJQGUDYZBUGD-NXEZZACHSA-N 2 2 236.319 0.503 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884363498 591916852 /nfs/dbraw/zinc/91/68/52/591916852.db2.gz DGGJQGUDYZBUGD-NXEZZACHSA-N 2 2 236.319 0.503 20 0 BCADLP Cc1cn(C(C)(C)C(=O)N(C)C[C@@H](C)[NH3+])c[nH+]1 ZINC000884445493 591936843 /nfs/dbraw/zinc/93/68/43/591936843.db2.gz OTAWGTQKRINSRT-SECBINFHSA-N 2 2 238.335 0.732 20 0 BCADLP CCc1nc(N[C@H](CO)C[NH+](C)C)cc[nH+]1 ZINC000884508714 591960946 /nfs/dbraw/zinc/96/09/46/591960946.db2.gz NDAYZMDUFMFVAH-VIFPVBQESA-N 2 2 224.308 0.373 20 0 BCADLP Cc1cc(NCC[N@H+](C)CCO)nc[nH+]1 ZINC000884824795 592022324 /nfs/dbraw/zinc/02/23/24/592022324.db2.gz OBXJRZMNCVVEEZ-UHFFFAOYSA-N 2 2 210.281 0.121 20 0 BCADLP Cc1cc(NCC[N@@H+](C)CCO)nc[nH+]1 ZINC000884824795 592022328 /nfs/dbraw/zinc/02/23/28/592022328.db2.gz OBXJRZMNCVVEEZ-UHFFFAOYSA-N 2 2 210.281 0.121 20 0 BCADLP CC[N@H+](CCS(C)(=O)=O)C[C@@H]1CCC[NH2+]C1 ZINC000220380283 592306294 /nfs/dbraw/zinc/30/62/94/592306294.db2.gz NHVNCCHYXGOSPH-LLVKDONJSA-N 2 2 248.392 0.353 20 0 BCADLP CC[N@@H+](CCS(C)(=O)=O)C[C@@H]1CCC[NH2+]C1 ZINC000220380283 592306297 /nfs/dbraw/zinc/30/62/97/592306297.db2.gz NHVNCCHYXGOSPH-LLVKDONJSA-N 2 2 248.392 0.353 20 0 BCADLP CC[N@H+](CCOCC(F)F)[C@@H]1CC[NH2+]C1 ZINC000886850333 592366243 /nfs/dbraw/zinc/36/62/43/592366243.db2.gz ASNCIKWCBHZFBO-SECBINFHSA-N 2 2 222.279 0.952 20 0 BCADLP CC[N@@H+](CCOCC(F)F)[C@@H]1CC[NH2+]C1 ZINC000886850333 592366250 /nfs/dbraw/zinc/36/62/50/592366250.db2.gz ASNCIKWCBHZFBO-SECBINFHSA-N 2 2 222.279 0.952 20 0 BCADLP c1nnn2c1C[N@H+](C[C@@H]1CC[NH2+]C1)CCC2 ZINC000886857859 592369634 /nfs/dbraw/zinc/36/96/34/592369634.db2.gz CUHVAHOTRAHXFS-SNVBAGLBSA-N 2 2 221.308 0.093 20 0 BCADLP c1nnn2c1C[N@@H+](C[C@@H]1CC[NH2+]C1)CCC2 ZINC000886857859 592369640 /nfs/dbraw/zinc/36/96/40/592369640.db2.gz CUHVAHOTRAHXFS-SNVBAGLBSA-N 2 2 221.308 0.093 20 0 BCADLP COC(=O)N[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000886856264 592370146 /nfs/dbraw/zinc/37/01/46/592370146.db2.gz MHBIHBNRUYDOGD-JTQLQIEISA-N 2 2 238.291 0.313 20 0 BCADLP COC(=O)N[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000886856264 592370152 /nfs/dbraw/zinc/37/01/52/592370152.db2.gz MHBIHBNRUYDOGD-JTQLQIEISA-N 2 2 238.291 0.313 20 0 BCADLP [NH2+]=C(NCCn1cc[nH+]c1)NCC(F)F ZINC000887347022 592483789 /nfs/dbraw/zinc/48/37/89/592483789.db2.gz CASWCTBAHROLIH-UHFFFAOYSA-N 2 2 217.223 0.262 20 0 BCADLP C[C@@H](CC(=O)NCc1cn(C)c[nH+]1)n1cc[nH+]c1 ZINC000890103725 592680526 /nfs/dbraw/zinc/68/05/26/592680526.db2.gz CDMALRPOENNHKO-JTQLQIEISA-N 2 2 247.302 0.884 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000925704276 634383637 /nfs/dbraw/zinc/38/36/37/634383637.db2.gz FOTQKLAUKGUEAJ-VHSXEESVSA-N 3 2 247.333 0.961 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCNCC1(F)F ZINC000925704276 634383644 /nfs/dbraw/zinc/38/36/44/634383644.db2.gz FOTQKLAUKGUEAJ-VHSXEESVSA-N 2 2 247.333 0.961 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000925704275 634384006 /nfs/dbraw/zinc/38/40/06/634384006.db2.gz FOTQKLAUKGUEAJ-UWVGGRQHSA-N 3 2 247.333 0.961 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCNCC1(F)F ZINC000925704275 634384008 /nfs/dbraw/zinc/38/40/08/634384008.db2.gz FOTQKLAUKGUEAJ-UWVGGRQHSA-N 2 2 247.333 0.961 20 0 BCADLP C(C[NH2+][C@@H]1C[NH2+]CCOC1)C[C@@H]1CCC[NH2+]1 ZINC000925705162 634386293 /nfs/dbraw/zinc/38/62/93/634386293.db2.gz IBNNACODVYJZOG-NWDGAFQWSA-N 3 2 227.352 0.097 20 0 BCADLP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C12CCC2 ZINC000925709632 634401363 /nfs/dbraw/zinc/40/13/63/634401363.db2.gz ORHJUXFBXCHMFQ-IJLUTSLNSA-N 3 2 239.363 0.224 20 0 BCADLP C[C@H](C[NH2+][C@H]1C[NH2+]CCOC1)CC(F)F ZINC000925713426 634417459 /nfs/dbraw/zinc/41/74/59/634417459.db2.gz RZVUYIFEBMUNHX-IUCAKERBSA-N 2 2 222.279 0.856 20 0 BCADLP FC1(F)C[C@@H]1CC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925720055 634458543 /nfs/dbraw/zinc/45/85/43/634458543.db2.gz DXTGBSJTSBKDGV-DTWKUNHWSA-N 2 2 220.263 0.610 20 0 BCADLP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3CNOC3)CC[NH2+]2)cc1 ZINC000925860485 635554324 /nfs/dbraw/zinc/55/43/24/635554324.db2.gz RAQMBANDAKEEMP-MJBXVCDLSA-N 2 2 247.342 0.973 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCOC1CCOCC1 ZINC000925878210 635604035 /nfs/dbraw/zinc/60/40/35/635604035.db2.gz RKKQARJXEGSTIN-YPMHNXCESA-N 2 2 242.363 0.912 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCOC[C@@H](C)C1 ZINC000309215908 631969961 /nfs/dbraw/zinc/96/99/61/631969961.db2.gz FOBSWSNLPDNXNQ-NWDGAFQWSA-N 2 2 230.352 0.267 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCOC[C@@H](C)C1 ZINC000309215908 631969966 /nfs/dbraw/zinc/96/99/66/631969966.db2.gz FOBSWSNLPDNXNQ-NWDGAFQWSA-N 2 2 230.352 0.267 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCOC[C@@H](C)C1 ZINC000309215908 631969971 /nfs/dbraw/zinc/96/99/71/631969971.db2.gz FOBSWSNLPDNXNQ-NWDGAFQWSA-N 2 2 230.352 0.267 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCOC[C@@H](C)C1 ZINC000309215908 631969975 /nfs/dbraw/zinc/96/99/75/631969975.db2.gz FOBSWSNLPDNXNQ-NWDGAFQWSA-N 2 2 230.352 0.267 20 0 BCADLP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001022886730 632030080 /nfs/dbraw/zinc/03/00/80/632030080.db2.gz HYDCODGFJCBCND-AOOOYVTPSA-N 2 2 236.319 0.597 20 0 BCADLP CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000052020223 632042602 /nfs/dbraw/zinc/04/26/02/632042602.db2.gz MZCFLJYOAPAUGM-NSHDSACASA-N 2 2 241.383 0.002 20 0 BCADLP CC1(C)CNC(=O)[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000926448686 632065405 /nfs/dbraw/zinc/06/54/05/632065405.db2.gz AVWJQOAYZIERGL-GZMMTYOYSA-N 2 2 248.330 0.381 20 0 BCADLP C#CCC[NH+]1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000078704219 635814778 /nfs/dbraw/zinc/81/47/78/635814778.db2.gz LKDRIEGXCOKIIZ-LBPRGKRZSA-N 2 2 237.347 0.104 20 0 BCADLP C1=CC[C@@H]2C[N@@H+](C[C@H]3C[NH2+]CCO3)C[C@@H]2C1 ZINC000309516020 632435343 /nfs/dbraw/zinc/43/53/43/632435343.db2.gz RMXKWKWCMXDSFU-FRRDWIJNSA-N 2 2 222.332 0.873 20 0 BCADLP C1=CC[C@@H]2C[N@H+](C[C@H]3C[NH2+]CCO3)C[C@@H]2C1 ZINC000309516020 632435346 /nfs/dbraw/zinc/43/53/46/632435346.db2.gz RMXKWKWCMXDSFU-FRRDWIJNSA-N 2 2 222.332 0.873 20 0 BCADLP CCS(=O)(=O)CC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250260172 632541921 /nfs/dbraw/zinc/54/19/21/632541921.db2.gz ZDFIWCGQGHXHHN-QWRGUYRKSA-N 2 2 248.392 0.480 20 0 BCADLP CCS(=O)(=O)CC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250260172 632541926 /nfs/dbraw/zinc/54/19/26/632541926.db2.gz ZDFIWCGQGHXHHN-QWRGUYRKSA-N 2 2 248.392 0.480 20 0 BCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251895492 632551751 /nfs/dbraw/zinc/55/17/51/632551751.db2.gz VXVARSVZGKEONN-GRYCIOLGSA-N 2 2 241.379 0.816 20 0 BCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251895492 632551759 /nfs/dbraw/zinc/55/17/59/632551759.db2.gz VXVARSVZGKEONN-GRYCIOLGSA-N 2 2 241.379 0.816 20 0 BCADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1cnnn1C ZINC000924538460 632777018 /nfs/dbraw/zinc/77/70/18/632777018.db2.gz AAUDUZPXKBNZGN-SECBINFHSA-N 2 2 211.313 0.417 20 0 BCADLP Cn1cnnc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000154684628 632839973 /nfs/dbraw/zinc/83/99/73/632839973.db2.gz NUBVRKPRRXCCCD-UHFFFAOYSA-N 2 2 237.351 0.589 20 0 BCADLP Cn1cnnc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000154684628 632839978 /nfs/dbraw/zinc/83/99/78/632839978.db2.gz NUBVRKPRRXCCCD-UHFFFAOYSA-N 2 2 237.351 0.589 20 0 BCADLP OCCOCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924568440 632901049 /nfs/dbraw/zinc/90/10/49/632901049.db2.gz CJRQEDREMZIJGN-CHWSQXEVSA-N 2 2 242.363 0.602 20 0 BCADLP OCCOCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924568440 632901054 /nfs/dbraw/zinc/90/10/54/632901054.db2.gz CJRQEDREMZIJGN-CHWSQXEVSA-N 2 2 242.363 0.602 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335538809 635880354 /nfs/dbraw/zinc/88/03/54/635880354.db2.gz LRDJOKBESSHOQI-LBPRGKRZSA-N 2 2 220.320 0.748 20 0 BCADLP FC1(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000309573398 633202260 /nfs/dbraw/zinc/20/22/60/633202260.db2.gz NTZRSFSLTUBAFP-MNOVXSKESA-N 2 2 228.311 0.941 20 0 BCADLP FC1(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000309573398 633202264 /nfs/dbraw/zinc/20/22/64/633202264.db2.gz NTZRSFSLTUBAFP-MNOVXSKESA-N 2 2 228.311 0.941 20 0 BCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC000928434466 635929116 /nfs/dbraw/zinc/92/91/16/635929116.db2.gz DWFUJWSHWHEYLC-KOLCDFICSA-N 2 2 236.319 0.171 20 0 BCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1C ZINC000928434466 635929120 /nfs/dbraw/zinc/92/91/20/635929120.db2.gz DWFUJWSHWHEYLC-KOLCDFICSA-N 2 2 236.319 0.171 20 0 BCADLP C[C@H](CC(=O)NC[C@H]1CC[N@@H+]1C)n1cc[nH+]c1 ZINC000928552731 636086613 /nfs/dbraw/zinc/08/66/13/636086613.db2.gz LAGWVALJNZFDJD-GHMZBOCLSA-N 2 2 236.319 0.655 20 0 BCADLP C[C@H](CC(=O)NC[C@H]1CC[N@H+]1C)n1cc[nH+]c1 ZINC000928552731 636086617 /nfs/dbraw/zinc/08/66/17/636086617.db2.gz LAGWVALJNZFDJD-GHMZBOCLSA-N 2 2 236.319 0.655 20 0 BCADLP CSCC[C@H](C)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925508059 633842453 /nfs/dbraw/zinc/84/24/53/633842453.db2.gz DGEKNGALDUXHPA-VHSXEESVSA-N 2 2 218.366 0.706 20 0 BCADLP CC(C)COCCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925516005 633859416 /nfs/dbraw/zinc/85/94/16/633859416.db2.gz BHTQXSYTWVXITH-GFCCVEGCSA-N 2 2 230.352 0.627 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC2OCCO2)C1 ZINC000182404261 633945238 /nfs/dbraw/zinc/94/52/38/633945238.db2.gz JUKWIWQPUIOGIF-NSHDSACASA-N 2 2 228.336 0.633 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2OCCO2)C1 ZINC000182404261 633945242 /nfs/dbraw/zinc/94/52/42/633945242.db2.gz JUKWIWQPUIOGIF-NSHDSACASA-N 2 2 228.336 0.633 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC2OCCO2)C1 ZINC000182404261 633945244 /nfs/dbraw/zinc/94/52/44/633945244.db2.gz JUKWIWQPUIOGIF-NSHDSACASA-N 2 2 228.336 0.633 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2OCCO2)C1 ZINC000182404261 633945250 /nfs/dbraw/zinc/94/52/50/633945250.db2.gz JUKWIWQPUIOGIF-NSHDSACASA-N 2 2 228.336 0.633 20 0 BCADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CCOC1)C1CCOCC1 ZINC000925539681 633948963 /nfs/dbraw/zinc/94/89/63/633948963.db2.gz XQFGCPCIXHXOMK-OLZOCXBDSA-N 2 2 242.363 0.770 20 0 BCADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCCn3ncnc32)C12CCC2 ZINC000925542690 633965498 /nfs/dbraw/zinc/96/54/98/633965498.db2.gz QSCHKIQSKBAYBA-HBNTYKKESA-N 2 2 247.346 0.973 20 0 BCADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCn3ncnc32)C12CCC2 ZINC000925542682 633966204 /nfs/dbraw/zinc/96/62/04/633966204.db2.gz QSCHKIQSKBAYBA-GMTAPVOTSA-N 2 2 247.346 0.973 20 0 BCADLP CC[C@@H]([NH2+][C@H]1C[NH2+]CCOC1)C(C)C ZINC000925584685 634088557 /nfs/dbraw/zinc/08/85/57/634088557.db2.gz LGVBQALMUVREGP-WDEREUQCSA-N 2 2 200.326 0.999 20 0 BCADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]CCOC1)C(C)C ZINC000925584323 634091704 /nfs/dbraw/zinc/09/17/04/634091704.db2.gz LGVBQALMUVREGP-GHMZBOCLSA-N 2 2 200.326 0.999 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000925615151 634159172 /nfs/dbraw/zinc/15/91/72/634159172.db2.gz MIBONJHAANPSLK-HBNTYKKESA-N 2 2 210.321 0.654 20 0 BCADLP OC[C@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925616293 634161222 /nfs/dbraw/zinc/16/12/22/634161222.db2.gz QLNWTRSGYYOZGH-SRVKXCTJSA-N 2 2 228.336 0.116 20 0 BCADLP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925621194 634180746 /nfs/dbraw/zinc/18/07/46/634180746.db2.gz CXSOIUVBSFXBKT-QJPTWQEYSA-N 2 2 230.352 0.362 20 0 BCADLP CC[C@H](C[C@@H](C)CO)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925621204 634180761 /nfs/dbraw/zinc/18/07/61/634180761.db2.gz CXSOIUVBSFXBKT-UTUOFQBUSA-N 2 2 230.352 0.362 20 0 BCADLP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000925660832 634227003 /nfs/dbraw/zinc/22/70/03/634227003.db2.gz BIRSKQZEDZYCLY-BJDJZHNGSA-N 2 2 210.321 0.848 20 0 BCADLP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000925660832 634227005 /nfs/dbraw/zinc/22/70/05/634227005.db2.gz BIRSKQZEDZYCLY-BJDJZHNGSA-N 2 2 210.321 0.848 20 0 BCADLP C[C@@H](O)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925676481 634264721 /nfs/dbraw/zinc/26/47/21/634264721.db2.gz MPSWVEDHTOXAME-GRYCIOLGSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@@H](O)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925676481 634264728 /nfs/dbraw/zinc/26/47/28/634264728.db2.gz MPSWVEDHTOXAME-GRYCIOLGSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925676483 634266191 /nfs/dbraw/zinc/26/61/91/634266191.db2.gz MPSWVEDHTOXAME-UTUOFQBUSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@@H](O)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925676483 634266199 /nfs/dbraw/zinc/26/61/99/634266199.db2.gz MPSWVEDHTOXAME-UTUOFQBUSA-N 2 2 212.337 0.974 20 0 BCADLP C([NH2+][C@H]1C[NH2+]CCOC1)[C@@H]1C[C@H]1C1CC1 ZINC000925689320 634306475 /nfs/dbraw/zinc/30/64/75/634306475.db2.gz FWDGMJANILZYKU-SRVKXCTJSA-N 2 2 210.321 0.611 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925693057 634324587 /nfs/dbraw/zinc/32/45/87/634324587.db2.gz NYZULJNCAWEFSW-CLSQCYNNSA-N 3 2 235.375 0.700 20 0 BCADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C12CCC2 ZINC000925700043 634368156 /nfs/dbraw/zinc/36/81/56/634368156.db2.gz MXYWGICMAHLVLJ-TUAOUCFPSA-N 3 2 223.364 0.988 20 0 BCADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C12CCC2 ZINC000925700042 634369312 /nfs/dbraw/zinc/36/93/12/634369312.db2.gz MXYWGICMAHLVLJ-QJPTWQEYSA-N 3 2 223.364 0.988 20 0 BCADLP Cn1nccc1[C@@H](O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925891372 635618513 /nfs/dbraw/zinc/61/85/13/635618513.db2.gz VDMNXTWENKBZIL-QWRGUYRKSA-N 2 2 238.335 0.184 20 0 BCADLP O=C([C@H]1CCC[NH2+]1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000169813041 636575547 /nfs/dbraw/zinc/57/55/47/636575547.db2.gz ZHPAQKBRMLQGIZ-GHMZBOCLSA-N 2 2 248.330 0.868 20 0 BCADLP O=C([C@@H]1CCC[NH2+]1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000169813042 636575591 /nfs/dbraw/zinc/57/55/91/636575591.db2.gz ZHPAQKBRMLQGIZ-QWRGUYRKSA-N 2 2 248.330 0.868 20 0 BCADLP CC[NH+](CC)CC[NH2+]C1CCN(OC)CC1 ZINC000323081259 636897074 /nfs/dbraw/zinc/89/70/74/636897074.db2.gz UCVVWMXZUXFECR-UHFFFAOYSA-N 2 2 229.368 0.944 20 0 BCADLP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCF)C1)[NH+](C)C ZINC000898502711 637046607 /nfs/dbraw/zinc/04/66/07/637046607.db2.gz CHTFXEJZACZOCV-WDEREUQCSA-N 2 2 245.342 0.487 20 0 BCADLP C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCF)C1)[NH+](C)C ZINC000898502711 637046615 /nfs/dbraw/zinc/04/66/15/637046615.db2.gz CHTFXEJZACZOCV-WDEREUQCSA-N 2 2 245.342 0.487 20 0 BCADLP C[C@@H]1C[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@H]1[NH3+] ZINC000903789080 637383995 /nfs/dbraw/zinc/38/39/95/637383995.db2.gz UGMJRCISYXXQQE-LPWJVIDDSA-N 3 2 239.363 0.034 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@H]1[NH3+] ZINC000903789080 637384002 /nfs/dbraw/zinc/38/40/02/637384002.db2.gz UGMJRCISYXXQQE-LPWJVIDDSA-N 3 2 239.363 0.034 20 0 BCADLP O[C@@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C[C@@H]1F ZINC000903841368 637385110 /nfs/dbraw/zinc/38/51/10/637385110.db2.gz XAHJBYFRGDSVOY-LPEHRKFASA-N 2 2 202.273 0.001 20 0 BCADLP O[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C[C@@H]1F ZINC000903841368 637385117 /nfs/dbraw/zinc/38/51/17/637385117.db2.gz XAHJBYFRGDSVOY-LPEHRKFASA-N 2 2 202.273 0.001 20 0 BCADLP Oc1cncc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000904432859 637400140 /nfs/dbraw/zinc/40/01/40/637400140.db2.gz HXZPZXSYXOOGAX-UHFFFAOYSA-N 2 2 207.277 0.629 20 0 BCADLP CN(C)c1cc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nc[nH+]1 ZINC000905632609 637865291 /nfs/dbraw/zinc/86/52/91/637865291.db2.gz GAQHTSZBSLMXOO-PHIMTYICSA-N 2 2 247.346 0.873 20 0 BCADLP CN(C)c1cc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)nc[nH+]1 ZINC000905649569 637870134 /nfs/dbraw/zinc/87/01/34/637870134.db2.gz OBQCBDUTWWFDCP-AOOOYVTPSA-N 2 2 233.319 0.483 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH2+]C/C=C/Cl)C1CC1 ZINC000905707430 637890323 /nfs/dbraw/zinc/89/03/23/637890323.db2.gz JLMMIIFUGDVAPG-FWYAXHSGSA-N 2 2 218.728 0.784 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH2+]C/C=C/Cl)C1CC1 ZINC000905707430 637890325 /nfs/dbraw/zinc/89/03/25/637890325.db2.gz JLMMIIFUGDVAPG-FWYAXHSGSA-N 2 2 218.728 0.784 20 0 BCADLP C[NH+](C)CCc1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905818002 637944426 /nfs/dbraw/zinc/94/44/26/637944426.db2.gz YZDGJCJPFMFHHT-UHFFFAOYSA-N 2 2 246.318 0.408 20 0 BCADLP CN(C)c1cc(N2CCC[C@H]3C[NH2+]C[C@H]32)nc[nH+]1 ZINC000906094047 638050843 /nfs/dbraw/zinc/05/08/43/638050843.db2.gz LKQXURKSEZICIV-WDEREUQCSA-N 2 2 247.346 0.731 20 0 BCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH+](C)C ZINC000908346375 638660012 /nfs/dbraw/zinc/66/00/12/638660012.db2.gz LLGZRUDHROVZPY-VIFPVBQESA-N 2 2 224.308 0.266 20 0 BCADLP [NH3+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000911648667 639704225 /nfs/dbraw/zinc/70/42/25/639704225.db2.gz SRWZODLBULYTHR-UHFFFAOYSA-N 2 2 218.260 0.642 20 0 BCADLP [NH3+][C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000911652825 639708992 /nfs/dbraw/zinc/70/89/92/639708992.db2.gz ZWJDDZJGKDQABH-VHSXEESVSA-N 2 2 234.303 0.005 20 0 BCADLP C[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000911654771 639709701 /nfs/dbraw/zinc/70/97/01/639709701.db2.gz BHVOMCXWRMXEHW-SNVBAGLBSA-N 2 2 244.298 0.997 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000911683002 639726152 /nfs/dbraw/zinc/72/61/52/639726152.db2.gz DRTGFEJVISHNIF-NXEZZACHSA-N 2 2 236.319 0.681 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000911683005 639726504 /nfs/dbraw/zinc/72/65/04/639726504.db2.gz DRTGFEJVISHNIF-ZJUUUORDSA-N 2 2 236.319 0.681 20 0 BCADLP C[C@H](NC(=O)C[C@H]([NH3+])C(F)F)[C@@H]1CCC[NH2+]C1 ZINC000911725668 639752328 /nfs/dbraw/zinc/75/23/28/639752328.db2.gz OFEIEQYPNNBLAE-YIZRAAEISA-N 2 2 249.305 0.473 20 0 BCADLP C[C@H]([NH3+])CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000911739743 639766399 /nfs/dbraw/zinc/76/63/99/639766399.db2.gz CQIVUQVRNWAMTJ-IUCAKERBSA-N 2 2 224.308 0.442 20 0 BCADLP C[C@H]([NH3+])CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000911739743 639766403 /nfs/dbraw/zinc/76/64/03/639766403.db2.gz CQIVUQVRNWAMTJ-IUCAKERBSA-N 2 2 224.308 0.442 20 0 BCADLP CCCN(C(=O)C[C@H]([NH3+])C(F)F)[C@H]1CC[NH2+]C1 ZINC000911768407 639792865 /nfs/dbraw/zinc/79/28/65/639792865.db2.gz QECBWWCYRYICKU-IUCAKERBSA-N 2 2 249.305 0.569 20 0 BCADLP CCCN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CC[NH2+]C1 ZINC000911768443 639794114 /nfs/dbraw/zinc/79/41/14/639794114.db2.gz QPGGUVSNFQAGTM-JTQLQIEISA-N 2 2 236.319 0.553 20 0 BCADLP CCC(CC)(C[NH3+])NC(=O)C[C@@H]([NH3+])C(F)F ZINC000911799493 639820179 /nfs/dbraw/zinc/82/01/79/639820179.db2.gz ILLZTGNABLTSMU-SSDOTTSWSA-N 2 2 237.294 0.603 20 0 BCADLP C[C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[NH2+]1 ZINC000911801586 639822658 /nfs/dbraw/zinc/82/26/58/639822658.db2.gz CXJRGBCNVRYLSM-WDEREUQCSA-N 2 2 248.330 0.266 20 0 BCADLP C[C@@](C[NH3+])(NC(=O)C[C@@H]([NH3+])C(F)F)C1CC1 ZINC000911802344 639824514 /nfs/dbraw/zinc/82/45/14/639824514.db2.gz JCYVLGXQXPKZNS-XCBNKYQSSA-N 2 2 235.278 0.213 20 0 BCADLP Cc1cc(NC(=O)NC[C@H]2CC[N@H+]2C)c(C)c[nH+]1 ZINC000930628076 639830394 /nfs/dbraw/zinc/83/03/94/639830394.db2.gz XGJWEZGXFNZJDR-LLVKDONJSA-N 2 2 248.330 0.946 20 0 BCADLP Cc1cc(NC(=O)NC[C@H]2CC[N@@H+]2C)c(C)c[nH+]1 ZINC000930628076 639830395 /nfs/dbraw/zinc/83/03/95/639830395.db2.gz XGJWEZGXFNZJDR-LLVKDONJSA-N 2 2 248.330 0.946 20 0 BCADLP CC(C)C[C@H](C[NH3+])NC(=O)C[C@@H]([NH3+])C(F)F ZINC000911817511 639849872 /nfs/dbraw/zinc/84/98/72/639849872.db2.gz DTWQPDGWUWDHPA-HTQZYQBOSA-N 2 2 237.294 0.459 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C[C@H]([NH3+])C(F)F)C1 ZINC000911818654 639850548 /nfs/dbraw/zinc/85/05/48/639850548.db2.gz AORTWOQPBCNFCY-CIUDSAMLSA-N 2 2 249.305 0.555 20 0 BCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]([NH3+])C(F)F ZINC000911867103 639851950 /nfs/dbraw/zinc/85/19/50/639851950.db2.gz FQRVRDDTLFHQQY-YUMQZZPRSA-N 2 2 235.278 0.179 20 0 BCADLP CC(C)([NH3+])CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911849163 639858646 /nfs/dbraw/zinc/85/86/46/639858646.db2.gz ZZVKUFGEOPSWBQ-SECBINFHSA-N 2 2 236.319 0.299 20 0 BCADLP CCCC[C@@H](C[NH3+])NC(=O)Cc1[nH]cc[nH+]1 ZINC000911879922 639865030 /nfs/dbraw/zinc/86/50/30/639865030.db2.gz QRTLQWYVMFYZDF-VIFPVBQESA-N 2 2 224.308 0.586 20 0 BCADLP O=C(Cn1cc[nH+]c1)N1CC([NH+]2CCCC2)C1 ZINC000912321920 640028930 /nfs/dbraw/zinc/02/89/30/640028930.db2.gz MJZPELFZQLRDEE-UHFFFAOYSA-N 2 2 234.303 0.190 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCC(=O)O3)C[C@H]21 ZINC000931277063 640125565 /nfs/dbraw/zinc/12/55/65/640125565.db2.gz HGQZHOYTHDICTE-UXCLJVHYSA-N 2 2 224.304 0.184 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCC(=O)O3)C[C@H]21 ZINC000931277063 640125570 /nfs/dbraw/zinc/12/55/70/640125570.db2.gz HGQZHOYTHDICTE-UXCLJVHYSA-N 2 2 224.304 0.184 20 0 BCADLP CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931281051 640135742 /nfs/dbraw/zinc/13/57/42/640135742.db2.gz MSFGFOQLXKYTKO-WHOHXGKFSA-N 2 2 237.347 0.099 20 0 BCADLP CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931281051 640135747 /nfs/dbraw/zinc/13/57/47/640135747.db2.gz MSFGFOQLXKYTKO-WHOHXGKFSA-N 2 2 237.347 0.099 20 0 BCADLP CCNC(=O)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931282256 640137803 /nfs/dbraw/zinc/13/78/03/640137803.db2.gz NQVMEBBFVWBZMD-IAZYJMLFSA-N 2 2 225.336 0.004 20 0 BCADLP CCNC(=O)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931282256 640137806 /nfs/dbraw/zinc/13/78/06/640137806.db2.gz NQVMEBBFVWBZMD-IAZYJMLFSA-N 2 2 225.336 0.004 20 0 BCADLP CCOC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931434207 640201436 /nfs/dbraw/zinc/20/14/36/640201436.db2.gz PXNHAULTASIABV-GRYCIOLGSA-N 2 2 240.347 0.822 20 0 BCADLP CCOC(=O)[C@@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931434207 640201440 /nfs/dbraw/zinc/20/14/40/640201440.db2.gz PXNHAULTASIABV-GRYCIOLGSA-N 2 2 240.347 0.822 20 0 BCADLP CCOC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931434207 640201444 /nfs/dbraw/zinc/20/14/44/640201444.db2.gz PXNHAULTASIABV-GRYCIOLGSA-N 2 2 240.347 0.822 20 0 BCADLP CCOC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931434207 640201451 /nfs/dbraw/zinc/20/14/51/640201451.db2.gz PXNHAULTASIABV-GRYCIOLGSA-N 2 2 240.347 0.822 20 0 BCADLP Cn1c[nH+]cc1CN1CCc2[nH+]ccc(N)c2C1 ZINC000931512158 640240763 /nfs/dbraw/zinc/24/07/63/640240763.db2.gz FQJDBWKHSAJMJG-UHFFFAOYSA-N 2 2 243.314 0.956 20 0 BCADLP C[C@@H](O)CC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517536 640246628 /nfs/dbraw/zinc/24/66/28/640246628.db2.gz AQKAHFMIPXUMFG-SECBINFHSA-N 2 2 221.304 0.793 20 0 BCADLP C[C@@H](O)CC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517536 640246634 /nfs/dbraw/zinc/24/66/34/640246634.db2.gz AQKAHFMIPXUMFG-SECBINFHSA-N 2 2 221.304 0.793 20 0 BCADLP c1cn2c([nH+]1)N(CCC[NH+]1CCOCC1)CC2 ZINC000931522602 640257547 /nfs/dbraw/zinc/25/75/47/640257547.db2.gz QFDZQFQSZDQPEM-UHFFFAOYSA-N 2 2 236.319 0.425 20 0 BCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1COCCO1 ZINC000931719308 640335166 /nfs/dbraw/zinc/33/51/66/640335166.db2.gz JIFDCWJWEHJQMO-YNEHKIRRSA-N 2 2 240.347 0.570 20 0 BCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1COCCO1 ZINC000931719308 640335170 /nfs/dbraw/zinc/33/51/70/640335170.db2.gz JIFDCWJWEHJQMO-YNEHKIRRSA-N 2 2 240.347 0.570 20 0 BCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H]1COCCO1 ZINC000931719308 640335178 /nfs/dbraw/zinc/33/51/78/640335178.db2.gz JIFDCWJWEHJQMO-YNEHKIRRSA-N 2 2 240.347 0.570 20 0 BCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H]1COCCO1 ZINC000931719308 640335186 /nfs/dbraw/zinc/33/51/86/640335186.db2.gz JIFDCWJWEHJQMO-YNEHKIRRSA-N 2 2 240.347 0.570 20 0 BCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1CNC(=O)C1 ZINC000931718700 640335487 /nfs/dbraw/zinc/33/54/87/640335487.db2.gz DEWJQTZXHXGLQG-SDDRHHMPSA-N 2 2 237.347 0.291 20 0 BCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1CNC(=O)C1 ZINC000931718700 640335494 /nfs/dbraw/zinc/33/54/94/640335494.db2.gz DEWJQTZXHXGLQG-SDDRHHMPSA-N 2 2 237.347 0.291 20 0 BCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H]1CNC(=O)C1 ZINC000931718700 640335498 /nfs/dbraw/zinc/33/54/98/640335498.db2.gz DEWJQTZXHXGLQG-SDDRHHMPSA-N 2 2 237.347 0.291 20 0 BCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H]1CNC(=O)C1 ZINC000931718700 640335502 /nfs/dbraw/zinc/33/55/02/640335502.db2.gz DEWJQTZXHXGLQG-SDDRHHMPSA-N 2 2 237.347 0.291 20 0 BCADLP CCNC(=O)CC[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931726306 640338651 /nfs/dbraw/zinc/33/86/51/640338651.db2.gz LOKBOEGSUBFKCK-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP CCNC(=O)CC[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931726306 640338655 /nfs/dbraw/zinc/33/86/55/640338655.db2.gz LOKBOEGSUBFKCK-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP CCNC(=O)CC[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931726306 640338661 /nfs/dbraw/zinc/33/86/61/640338661.db2.gz LOKBOEGSUBFKCK-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP CCNC(=O)CC[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931726306 640338665 /nfs/dbraw/zinc/33/86/65/640338665.db2.gz LOKBOEGSUBFKCK-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP CNC(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719647 640341438 /nfs/dbraw/zinc/34/14/38/640341438.db2.gz XQWLBSCCSSWTHQ-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP CNC(=O)CCC[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719647 640341442 /nfs/dbraw/zinc/34/14/42/640341442.db2.gz XQWLBSCCSSWTHQ-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP CNC(=O)CCC[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931719647 640341446 /nfs/dbraw/zinc/34/14/46/640341446.db2.gz XQWLBSCCSSWTHQ-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP CNC(=O)CCC[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931719647 640341453 /nfs/dbraw/zinc/34/14/53/640341453.db2.gz XQWLBSCCSSWTHQ-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP COC[C@@H]1COCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000933336154 640706359 /nfs/dbraw/zinc/70/63/59/640706359.db2.gz QZBURUXKJFNRKJ-GFCCVEGCSA-N 2 2 239.319 0.620 20 0 BCADLP COC[C@@H]1COCC[N@H+]1CCCn1cc[nH+]c1 ZINC000933336154 640706366 /nfs/dbraw/zinc/70/63/66/640706366.db2.gz QZBURUXKJFNRKJ-GFCCVEGCSA-N 2 2 239.319 0.620 20 0 BCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000167367314 640714093 /nfs/dbraw/zinc/71/40/93/640714093.db2.gz ZOPBNIUPCFITLP-GHMZBOCLSA-N 2 2 225.336 0.149 20 0 BCADLP Cn1cc(CC[N@@H+]2CCC[NH2+]CC2)cn1 ZINC000226414420 640758904 /nfs/dbraw/zinc/75/89/04/640758904.db2.gz SPHHWDWLERLKCI-UHFFFAOYSA-N 2 2 208.309 0.258 20 0 BCADLP Cn1cc(CC[N@H+]2CCC[NH2+]CC2)cn1 ZINC000226414420 640758908 /nfs/dbraw/zinc/75/89/08/640758908.db2.gz SPHHWDWLERLKCI-UHFFFAOYSA-N 2 2 208.309 0.258 20 0 BCADLP CC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001030532970 640900111 /nfs/dbraw/zinc/90/01/11/640900111.db2.gz BGABGAJVWLSLNR-NSHDSACASA-N 2 2 225.336 0.291 20 0 BCADLP CC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001030532970 640900116 /nfs/dbraw/zinc/90/01/16/640900116.db2.gz BGABGAJVWLSLNR-NSHDSACASA-N 2 2 225.336 0.291 20 0 BCADLP Cc1cnc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000061321534 640953024 /nfs/dbraw/zinc/95/30/24/640953024.db2.gz WDWRYORVVDUMPI-JTQLQIEISA-N 2 2 206.293 0.566 20 0 BCADLP Cc1cnc(C[N@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000061321534 640953029 /nfs/dbraw/zinc/95/30/29/640953029.db2.gz WDWRYORVVDUMPI-JTQLQIEISA-N 2 2 206.293 0.566 20 0 BCADLP CO[C@@H]1CC[C@H]1[N@H+](C)CCn1cc[nH+]c1 ZINC000934114653 641081071 /nfs/dbraw/zinc/08/10/71/641081071.db2.gz KWEMWPGSBSUMRG-GHMZBOCLSA-N 2 2 209.293 0.992 20 0 BCADLP CO[C@@H]1CC[C@H]1[N@@H+](C)CCn1cc[nH+]c1 ZINC000934114653 641081076 /nfs/dbraw/zinc/08/10/76/641081076.db2.gz KWEMWPGSBSUMRG-GHMZBOCLSA-N 2 2 209.293 0.992 20 0 BCADLP C[NH2+]C[C@H]1CCCC[N@@H+]1CCC(=O)N(C)C ZINC000063169330 641143592 /nfs/dbraw/zinc/14/35/92/641143592.db2.gz LDLGJVHFUVUZJH-LLVKDONJSA-N 2 2 227.352 0.539 20 0 BCADLP C[NH2+]C[C@H]1CCCC[N@H+]1CCC(=O)N(C)C ZINC000063169330 641143595 /nfs/dbraw/zinc/14/35/95/641143595.db2.gz LDLGJVHFUVUZJH-LLVKDONJSA-N 2 2 227.352 0.539 20 0 BCADLP CC[NH+]1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001030683572 641200299 /nfs/dbraw/zinc/20/02/99/641200299.db2.gz PGLZJYKVAVZHNN-UHFFFAOYSA-N 2 2 222.292 0.012 20 0 BCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC12CC[NH+](CC1)C2 ZINC000913629690 641431923 /nfs/dbraw/zinc/43/19/23/641431923.db2.gz JAQZUZUHBZADCL-NSHDSACASA-N 2 2 237.347 0.435 20 0 BCADLP C[N@H+]1CCCC[C@H]1C(=O)NC12CC[NH+](CC1)C2 ZINC000913629690 641431927 /nfs/dbraw/zinc/43/19/27/641431927.db2.gz JAQZUZUHBZADCL-NSHDSACASA-N 2 2 237.347 0.435 20 0 BCADLP C[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC000913760940 641468633 /nfs/dbraw/zinc/46/86/33/641468633.db2.gz UJWGLDYEHQOEMF-JQWIXIFHSA-N 2 2 248.330 0.505 20 0 BCADLP CCC[NH+]1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001030958832 641523595 /nfs/dbraw/zinc/52/35/95/641523595.db2.gz VXIPSDNUMSVTBL-LLVKDONJSA-N 2 2 239.363 0.539 20 0 BCADLP CCC[NH+]1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001030958832 641523599 /nfs/dbraw/zinc/52/35/99/641523599.db2.gz VXIPSDNUMSVTBL-LLVKDONJSA-N 2 2 239.363 0.539 20 0 BCADLP CC[NH+]1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001030958059 641523923 /nfs/dbraw/zinc/52/39/23/641523923.db2.gz BSEWFNNFYYWTOQ-JTQLQIEISA-N 2 2 225.336 0.149 20 0 BCADLP CC[NH+]1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001030958059 641523928 /nfs/dbraw/zinc/52/39/28/641523928.db2.gz BSEWFNNFYYWTOQ-JTQLQIEISA-N 2 2 225.336 0.149 20 0 BCADLP CC[NH+]1CC(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001030963867 641528338 /nfs/dbraw/zinc/52/83/38/641528338.db2.gz BZSFMLWLTVZLRD-UHFFFAOYSA-N 2 2 239.363 0.539 20 0 BCADLP CC[NH+]1CC(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001030963867 641528348 /nfs/dbraw/zinc/52/83/48/641528348.db2.gz BZSFMLWLTVZLRD-UHFFFAOYSA-N 2 2 239.363 0.539 20 0 BCADLP CC(C)(C)[NH2+]CCC(=O)NCCn1cc[nH+]c1 ZINC000041120054 641543254 /nfs/dbraw/zinc/54/32/54/641543254.db2.gz AAVGYANBLUGGCC-UHFFFAOYSA-N 2 2 238.335 0.778 20 0 BCADLP CC[NH+]1CC(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001031143246 641733000 /nfs/dbraw/zinc/73/30/00/641733000.db2.gz NFPNECHNWYSZOF-UHFFFAOYSA-N 2 2 239.363 0.539 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000948761370 641823547 /nfs/dbraw/zinc/82/35/47/641823547.db2.gz HKXINSWSIJVATB-LBPRGKRZSA-N 2 2 239.363 0.491 20 0 BCADLP O=C(C[NH+]1CCCC1)NC1C[NH+](CCCF)C1 ZINC001031389490 642055974 /nfs/dbraw/zinc/05/59/74/642055974.db2.gz PECKQYFDUJRSTR-UHFFFAOYSA-N 2 2 243.326 0.242 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)C[C@H](O)CC(F)(F)F ZINC000307945612 642352652 /nfs/dbraw/zinc/35/26/52/642352652.db2.gz ZXWOISRTPKMFGM-NKWVEPMBSA-N 2 2 214.231 0.579 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@H](O)CC(F)(F)F ZINC000307945612 642352658 /nfs/dbraw/zinc/35/26/58/642352658.db2.gz ZXWOISRTPKMFGM-NKWVEPMBSA-N 2 2 214.231 0.579 20 0 BCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962296969 642726627 /nfs/dbraw/zinc/72/66/27/642726627.db2.gz XUDJFZWIJPQGCB-PJXYFTJBSA-N 2 2 248.330 0.029 20 0 BCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962296969 642726636 /nfs/dbraw/zinc/72/66/36/642726636.db2.gz XUDJFZWIJPQGCB-PJXYFTJBSA-N 2 2 248.330 0.029 20 0 BCADLP COC(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000306168934 642727898 /nfs/dbraw/zinc/72/78/98/642727898.db2.gz COQBORQFNVNYKJ-VHSXEESVSA-N 2 2 212.293 0.043 20 0 BCADLP COC(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000306168934 642727905 /nfs/dbraw/zinc/72/79/05/642727905.db2.gz COQBORQFNVNYKJ-VHSXEESVSA-N 2 2 212.293 0.043 20 0 BCADLP COC(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000306168934 642727912 /nfs/dbraw/zinc/72/79/12/642727912.db2.gz COQBORQFNVNYKJ-VHSXEESVSA-N 2 2 212.293 0.043 20 0 BCADLP COC(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000306168934 642727917 /nfs/dbraw/zinc/72/79/17/642727917.db2.gz COQBORQFNVNYKJ-VHSXEESVSA-N 2 2 212.293 0.043 20 0 BCADLP CCOC[C@H](O)C[N@@H+]1CCCC[C@@H]1C[NH2+]C ZINC000068953563 642813656 /nfs/dbraw/zinc/81/36/56/642813656.db2.gz KHXBSQSOYTZLQR-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP CCOC[C@H](O)C[N@H+]1CCCC[C@@H]1C[NH2+]C ZINC000068953563 642813660 /nfs/dbraw/zinc/81/36/60/642813660.db2.gz KHXBSQSOYTZLQR-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001018949721 643016943 /nfs/dbraw/zinc/01/69/43/643016943.db2.gz LKSGFEUBPGUVHJ-NSHDSACASA-N 2 2 236.319 0.553 20 0 BCADLP CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001018949721 643016952 /nfs/dbraw/zinc/01/69/52/643016952.db2.gz LKSGFEUBPGUVHJ-NSHDSACASA-N 2 2 236.319 0.553 20 0 BCADLP CCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001019562188 643039067 /nfs/dbraw/zinc/03/90/67/643039067.db2.gz OZZNWCBEJQHTMK-JTQLQIEISA-N 2 2 236.319 0.553 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]CCF)C1 ZINC001019565813 643039543 /nfs/dbraw/zinc/03/95/43/643039543.db2.gz CGNYTSFHYNBOPP-VIFPVBQESA-N 2 2 240.282 0.112 20 0 BCADLP c1cn(CCC[N@@H+]2CCC3(C2)OCCO3)c[nH+]1 ZINC000182891712 643070817 /nfs/dbraw/zinc/07/08/17/643070817.db2.gz MSWQGUWZLIALSO-UHFFFAOYSA-N 2 2 237.303 0.722 20 0 BCADLP c1cn(CCC[N@H+]2CCC3(C2)OCCO3)c[nH+]1 ZINC000182891712 643070826 /nfs/dbraw/zinc/07/08/26/643070826.db2.gz MSWQGUWZLIALSO-UHFFFAOYSA-N 2 2 237.303 0.722 20 0 BCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]CC2CC2)C1 ZINC001020635061 643249198 /nfs/dbraw/zinc/24/91/98/643249198.db2.gz CSCLFBHYJOMJSV-XYPYZODXSA-N 2 2 248.330 0.599 20 0 BCADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCO2)C1(C)C ZINC000233786475 643268158 /nfs/dbraw/zinc/26/81/58/643268158.db2.gz IDIVZZHGQCYSSU-QJPTWQEYSA-N 2 2 242.363 0.768 20 0 BCADLP CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000970105335 643297106 /nfs/dbraw/zinc/29/71/06/643297106.db2.gz LZNUBHYPFMRBFJ-SNVBAGLBSA-N 2 2 236.319 0.553 20 0 BCADLP CC[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001020982098 643361462 /nfs/dbraw/zinc/36/14/62/643361462.db2.gz YAFIQSWETJBTSL-MGCOHNPYSA-N 2 2 236.319 0.517 20 0 BCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]CC2CC2)C1 ZINC000970856570 643576179 /nfs/dbraw/zinc/57/61/79/643576179.db2.gz NUUYMVOQWBRFPQ-GFCCVEGCSA-N 2 2 248.330 0.484 20 0 BCADLP C[NH2+]C[C@H]1CCCCN1Cc1c[nH+]cn1C ZINC000085170786 643689363 /nfs/dbraw/zinc/68/93/63/643689363.db2.gz NECLOHJVNGJUBC-LLVKDONJSA-N 2 2 222.336 0.994 20 0 BCADLP COC(C[NH+]1CCC([NH+](C)C)CC1)OC ZINC000085351048 643747628 /nfs/dbraw/zinc/74/76/28/643747628.db2.gz KFDRUWGZUVLPTG-UHFFFAOYSA-N 2 2 216.325 0.631 20 0 BCADLP CCO[C@H](C[NH2+][C@@H]1CCOC1)C[NH+](C)C ZINC000922757556 644087093 /nfs/dbraw/zinc/08/70/93/644087093.db2.gz HYYPPDMDAWDENF-GHMZBOCLSA-N 2 2 216.325 0.332 20 0 BCADLP COC(=O)/C=C(\C)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000929311374 644065145 /nfs/dbraw/zinc/06/51/45/644065145.db2.gz CJDLQUMDLVOSTA-YOFDESEISA-N 2 2 224.304 0.257 20 0 BCADLP COC(=O)/C=C(\C)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000929311374 644065149 /nfs/dbraw/zinc/06/51/49/644065149.db2.gz CJDLQUMDLVOSTA-YOFDESEISA-N 2 2 224.304 0.257 20 0 BCADLP CCC[N@H+](C[C@@H](O)CSC)[C@@H]1CC[NH2+]C1 ZINC000923283562 644308680 /nfs/dbraw/zinc/30/86/80/644308680.db2.gz BYUUMBZTURCCGG-GHMZBOCLSA-N 2 2 232.393 0.784 20 0 BCADLP CCC[N@@H+](C[C@@H](O)CSC)[C@@H]1CC[NH2+]C1 ZINC000923283562 644308683 /nfs/dbraw/zinc/30/86/83/644308683.db2.gz BYUUMBZTURCCGG-GHMZBOCLSA-N 2 2 232.393 0.784 20 0 BCADLP CCOCCOCC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000923280184 644312082 /nfs/dbraw/zinc/31/20/82/644312082.db2.gz HQCDCEZJTLNLOR-GFCCVEGCSA-N 2 2 230.352 0.853 20 0 BCADLP CCOCCOCC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000923280184 644312084 /nfs/dbraw/zinc/31/20/84/644312084.db2.gz HQCDCEZJTLNLOR-GFCCVEGCSA-N 2 2 230.352 0.853 20 0 BCADLP CC(C)COC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000923280225 644312753 /nfs/dbraw/zinc/31/27/53/644312753.db2.gz FVKCAVTXKVPPGZ-WDEREUQCSA-N 2 2 216.325 0.053 20 0 BCADLP CC(C)COC[C@H](O)C[N@H+]1CC[C@H]([NH3+])C1 ZINC000923280225 644312758 /nfs/dbraw/zinc/31/27/58/644312758.db2.gz FVKCAVTXKVPPGZ-WDEREUQCSA-N 2 2 216.325 0.053 20 0 BCADLP CSC[C@H](O)C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000923280126 644312777 /nfs/dbraw/zinc/31/27/77/644312777.db2.gz DKCHNBPLZMAUPE-DTWKUNHWSA-N 2 2 204.339 0.133 20 0 BCADLP CSC[C@H](O)C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000923280126 644312781 /nfs/dbraw/zinc/31/27/81/644312781.db2.gz DKCHNBPLZMAUPE-DTWKUNHWSA-N 2 2 204.339 0.133 20 0 BCADLP CC(C)COC[C@H](O)C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000923282104 644315312 /nfs/dbraw/zinc/31/53/12/644315312.db2.gz QDGKBEFERZXZGG-VXGBXAGGSA-N 2 2 230.352 0.443 20 0 BCADLP CC(C)COC[C@H](O)C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000923282104 644315314 /nfs/dbraw/zinc/31/53/14/644315314.db2.gz QDGKBEFERZXZGG-VXGBXAGGSA-N 2 2 230.352 0.443 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@H+](C)[C@H](C)C[NH3+] ZINC000923291508 644318314 /nfs/dbraw/zinc/31/83/14/644318314.db2.gz SYBZSSHLJLZJAV-GHMZBOCLSA-N 2 2 218.341 0.441 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@@H+](C)[C@H](C)C[NH3+] ZINC000923291508 644318320 /nfs/dbraw/zinc/31/83/20/644318320.db2.gz SYBZSSHLJLZJAV-GHMZBOCLSA-N 2 2 218.341 0.441 20 0 BCADLP CSC[C@H](O)C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000923292313 644328578 /nfs/dbraw/zinc/32/85/78/644328578.db2.gz HRHLEHHAVFWSBL-DTWKUNHWSA-N 2 2 204.339 0.133 20 0 BCADLP CSC[C@H](O)C[N@H+]1CCC[C@H]1C[NH3+] ZINC000923292313 644328586 /nfs/dbraw/zinc/32/85/86/644328586.db2.gz HRHLEHHAVFWSBL-DTWKUNHWSA-N 2 2 204.339 0.133 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923294590 644332449 /nfs/dbraw/zinc/33/24/49/644332449.db2.gz KEYQKDMGEJPASZ-NWDGAFQWSA-N 3 2 239.363 0.049 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923294590 644332451 /nfs/dbraw/zinc/33/24/51/644332451.db2.gz KEYQKDMGEJPASZ-NWDGAFQWSA-N 3 2 239.363 0.049 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](O)COCC(C)C ZINC000923294586 644333068 /nfs/dbraw/zinc/33/30/68/644333068.db2.gz KDCDSMFVGVSYGD-STQMWFEESA-N 2 2 244.379 0.704 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H](O)COCC(C)C ZINC000923294586 644333072 /nfs/dbraw/zinc/33/30/72/644333072.db2.gz KDCDSMFVGVSYGD-STQMWFEESA-N 2 2 244.379 0.704 20 0 BCADLP C[C@@](C[NH3+])([NH2+]C[C@H](O)C(F)(F)F)C1CC1 ZINC000923295454 644333672 /nfs/dbraw/zinc/33/36/72/644333672.db2.gz APLKXTSEXNVUFF-YUMQZZPRSA-N 2 2 226.242 0.627 20 0 BCADLP C[N@H+](CCC[NH2+]C1CC1)[C@@H]1CCCCNC1=O ZINC000923310415 644346418 /nfs/dbraw/zinc/34/64/18/644346418.db2.gz GVEKAXPTOOPRFY-GFCCVEGCSA-N 2 2 239.363 0.729 20 0 BCADLP C[N@@H+](CCC[NH2+]C1CC1)[C@@H]1CCCCNC1=O ZINC000923310415 644346422 /nfs/dbraw/zinc/34/64/22/644346422.db2.gz GVEKAXPTOOPRFY-GFCCVEGCSA-N 2 2 239.363 0.729 20 0 BCADLP Cc1ncc(C[N@@H+](C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)s1 ZINC000923322484 644351141 /nfs/dbraw/zinc/35/11/41/644351141.db2.gz OLTJSNNNNCNORL-LSJOCFKGSA-N 2 2 241.360 0.734 20 0 BCADLP Cc1ncc(C[N@H+](C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)s1 ZINC000923322484 644351151 /nfs/dbraw/zinc/35/11/51/644351151.db2.gz OLTJSNNNNCNORL-LSJOCFKGSA-N 2 2 241.360 0.734 20 0 BCADLP [NH3+]CC[N@H+](CCO)C[C@H](O)CC1CCCC1 ZINC000923332983 644355587 /nfs/dbraw/zinc/35/55/87/644355587.db2.gz YTJNUBZWAMDILH-GFCCVEGCSA-N 2 2 230.352 0.181 20 0 BCADLP [NH3+]CC[N@@H+](CCO)C[C@H](O)CC1CCCC1 ZINC000923332983 644355592 /nfs/dbraw/zinc/35/55/92/644355592.db2.gz YTJNUBZWAMDILH-GFCCVEGCSA-N 2 2 230.352 0.181 20 0 BCADLP [NH3+]C1(C[NH2+]C[C@H](O)C(F)(F)F)CCC1 ZINC000923332007 644360934 /nfs/dbraw/zinc/36/09/34/644360934.db2.gz KNJDVKOAVYCAGR-LURJTMIESA-N 2 2 212.215 0.381 20 0 BCADLP C[C@@H](O)C[N@H+](CC[NH3+])CCc1ccccc1 ZINC000923351633 644367530 /nfs/dbraw/zinc/36/75/30/644367530.db2.gz MVQSXLLDKSFYIL-GFCCVEGCSA-N 2 2 222.332 0.871 20 0 BCADLP C[C@@H](O)C[N@@H+](CC[NH3+])CCc1ccccc1 ZINC000923351633 644367536 /nfs/dbraw/zinc/36/75/36/644367536.db2.gz MVQSXLLDKSFYIL-GFCCVEGCSA-N 2 2 222.332 0.871 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1[NH3+] ZINC000923365541 644376586 /nfs/dbraw/zinc/37/65/86/644376586.db2.gz FSFPQLQTAVHQPU-XBFCOCLRSA-N 2 2 234.343 0.869 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1[NH3+] ZINC000923365541 644376588 /nfs/dbraw/zinc/37/65/88/644376588.db2.gz FSFPQLQTAVHQPU-XBFCOCLRSA-N 2 2 234.343 0.869 20 0 BCADLP CC(C)OCC[C@H](O)C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000923366450 644378872 /nfs/dbraw/zinc/37/88/72/644378872.db2.gz MPUBIPWVORBDHZ-SDDRHHMPSA-N 2 2 230.352 0.441 20 0 BCADLP CC(C)OCC[C@H](O)C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000923366450 644378876 /nfs/dbraw/zinc/37/88/76/644378876.db2.gz MPUBIPWVORBDHZ-SDDRHHMPSA-N 2 2 230.352 0.441 20 0 BCADLP C[N@H+](CC[NH3+])C[C@@H](O)CCc1ccccc1 ZINC000923380515 644394483 /nfs/dbraw/zinc/39/44/83/644394483.db2.gz XOAFLRLSYPMZEV-ZDUSSCGKSA-N 2 2 222.332 0.871 20 0 BCADLP C[N@@H+](CC[NH3+])C[C@@H](O)CCc1ccccc1 ZINC000923380515 644394487 /nfs/dbraw/zinc/39/44/87/644394487.db2.gz XOAFLRLSYPMZEV-ZDUSSCGKSA-N 2 2 222.332 0.871 20 0 BCADLP C(CO[C@@H]1CCOC1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923399083 644404732 /nfs/dbraw/zinc/40/47/32/644404732.db2.gz NXMLSTBEAZYFSR-NEPJUHHUSA-N 2 2 240.347 0.666 20 0 BCADLP CC1(C)CC(CN2CC[NH2+]CC[NH2+]CC2)C1 ZINC000923460098 644437554 /nfs/dbraw/zinc/43/75/54/644437554.db2.gz LOQIBGPECSAEEY-UHFFFAOYSA-N 2 2 225.380 0.917 20 0 BCADLP C(C[N@@H+]1CCNCC[NH2+]CC1)[C@@H]1CCCO1 ZINC000923460046 644443903 /nfs/dbraw/zinc/44/39/03/644443903.db2.gz OZXCEDNAQKXGCB-LBPRGKRZSA-N 2 2 227.352 0.050 20 0 BCADLP C(C[N@H+]1CCNCC[NH2+]CC1)[C@@H]1CCCO1 ZINC000923460046 644443908 /nfs/dbraw/zinc/44/39/08/644443908.db2.gz OZXCEDNAQKXGCB-LBPRGKRZSA-N 2 2 227.352 0.050 20 0 BCADLP C(CN1CC[NH2+]CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000923460046 644443914 /nfs/dbraw/zinc/44/39/14/644443914.db2.gz OZXCEDNAQKXGCB-LBPRGKRZSA-N 2 2 227.352 0.050 20 0 BCADLP C1=CCC(CN2CC[NH2+]CC[NH2+]CC2)C1 ZINC000923461295 644445156 /nfs/dbraw/zinc/44/51/56/644445156.db2.gz VMEXTJSQXJFBHV-UHFFFAOYSA-N 2 2 209.337 0.447 20 0 BCADLP CCO[C@@H](C[N@@H+]1CCC[C@]([NH3+])(CO)C1)C1CC1 ZINC000923475194 644453940 /nfs/dbraw/zinc/45/39/40/644453940.db2.gz OJVZODFKUYOPJF-QWHCGFSZSA-N 2 2 242.363 0.587 20 0 BCADLP CCO[C@@H](C[N@H+]1CCC[C@]([NH3+])(CO)C1)C1CC1 ZINC000923475194 644453944 /nfs/dbraw/zinc/45/39/44/644453944.db2.gz OJVZODFKUYOPJF-QWHCGFSZSA-N 2 2 242.363 0.587 20 0 BCADLP Cc1nc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)no1 ZINC000923498011 644474040 /nfs/dbraw/zinc/47/40/40/644474040.db2.gz NDSJKFNCSMEVTF-WCBMZHEXSA-N 2 2 224.308 0.795 20 0 BCADLP Cc1nc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)no1 ZINC000923498011 644474044 /nfs/dbraw/zinc/47/40/44/644474044.db2.gz NDSJKFNCSMEVTF-WCBMZHEXSA-N 2 2 224.308 0.795 20 0 BCADLP Cc1noc([C@@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000923514208 644476911 /nfs/dbraw/zinc/47/69/11/644476911.db2.gz WRZIDSAANZLXKE-NQMVMOMDSA-N 2 2 224.308 0.966 20 0 BCADLP Cc1noc([C@@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000923514208 644476915 /nfs/dbraw/zinc/47/69/15/644476915.db2.gz WRZIDSAANZLXKE-NQMVMOMDSA-N 2 2 224.308 0.966 20 0 BCADLP Cc1nnsc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515330 644481461 /nfs/dbraw/zinc/48/14/61/644481461.db2.gz DBBWJTAASURUJC-VHSXEESVSA-N 2 2 238.360 0.888 20 0 BCADLP Cc1nnsc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515330 644481464 /nfs/dbraw/zinc/48/14/64/644481464.db2.gz DBBWJTAASURUJC-VHSXEESVSA-N 2 2 238.360 0.888 20 0 BCADLP COC[C@H](O)C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923529568 644485484 /nfs/dbraw/zinc/48/54/84/644485484.db2.gz AJHXRVOTIAARKK-NEPJUHHUSA-N 2 2 228.336 0.212 20 0 BCADLP COC[C@H](O)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923529568 644485488 /nfs/dbraw/zinc/48/54/88/644485488.db2.gz AJHXRVOTIAARKK-NEPJUHHUSA-N 2 2 228.336 0.212 20 0 BCADLP C[NH2+]CCC[N@@H+]1C2CCC1(C(N)=O)CC2 ZINC000923531457 644488079 /nfs/dbraw/zinc/48/80/79/644488079.db2.gz QPESIDUJPBYEIM-UHFFFAOYSA-N 2 2 211.309 0.078 20 0 BCADLP C[NH2+]CCC[N@H+]1C2CCC1(C(N)=O)CC2 ZINC000923531457 644488085 /nfs/dbraw/zinc/48/80/85/644488085.db2.gz QPESIDUJPBYEIM-UHFFFAOYSA-N 2 2 211.309 0.078 20 0 BCADLP C[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)CC[C@H]1[NH3+] ZINC000251654778 644815701 /nfs/dbraw/zinc/81/57/01/644815701.db2.gz GPHCXKKOGQUHEH-PRJMDXOYSA-N 2 2 226.242 0.579 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)CC[C@H]1[NH3+] ZINC000251654778 644815705 /nfs/dbraw/zinc/81/57/05/644815705.db2.gz GPHCXKKOGQUHEH-PRJMDXOYSA-N 2 2 226.242 0.579 20 0 BCADLP [NH3+][C@@H](CC1CC1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000304342579 644893346 /nfs/dbraw/zinc/89/33/46/644893346.db2.gz JDMNTUQRIACUBZ-VIFPVBQESA-N 2 2 222.292 0.196 20 0 BCADLP C[C@@H]1CC[N@H+](Cc2nccn2C)C[C@H]1C[NH3+] ZINC000253191569 644943857 /nfs/dbraw/zinc/94/38/57/644943857.db2.gz MHGFBGAHTRHPMT-GHMZBOCLSA-N 2 2 222.336 0.837 20 0 BCADLP C[C@@H]1CC[N@@H+](Cc2nccn2C)C[C@H]1C[NH3+] ZINC000253191569 644943858 /nfs/dbraw/zinc/94/38/58/644943858.db2.gz MHGFBGAHTRHPMT-GHMZBOCLSA-N 2 2 222.336 0.837 20 0 BCADLP CC[NH+](CC)CCC[N@@H+]1CCCN(C=O)CC1 ZINC000821278522 645032868 /nfs/dbraw/zinc/03/28/68/645032868.db2.gz CEFBYRRBLKRLNL-UHFFFAOYSA-N 2 2 241.379 0.882 20 0 BCADLP CC[NH+](CC)CCC[N@H+]1CCCN(C=O)CC1 ZINC000821278522 645032875 /nfs/dbraw/zinc/03/28/75/645032875.db2.gz CEFBYRRBLKRLNL-UHFFFAOYSA-N 2 2 241.379 0.882 20 0 BCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ncccn1 ZINC000926710975 645375691 /nfs/dbraw/zinc/37/56/91/645375691.db2.gz UPHKKQYNTGZRNK-QYJAPNMZSA-N 2 2 232.331 0.906 20 0 BCADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ncccn1 ZINC000926710975 645375697 /nfs/dbraw/zinc/37/56/97/645375697.db2.gz UPHKKQYNTGZRNK-QYJAPNMZSA-N 2 2 232.331 0.906 20 0 BCADLP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000926771349 645416894 /nfs/dbraw/zinc/41/68/94/645416894.db2.gz QPJKTSWFJIUQJT-TUAOUCFPSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000926771349 645416900 /nfs/dbraw/zinc/41/69/00/645416900.db2.gz QPJKTSWFJIUQJT-TUAOUCFPSA-N 2 2 239.363 0.727 20 0 BCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928552968 645807360 /nfs/dbraw/zinc/80/73/60/645807360.db2.gz CTKCVVLZVYRFJC-JTQLQIEISA-N 2 2 222.292 0.012 20 0 BCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928552968 645807366 /nfs/dbraw/zinc/80/73/66/645807366.db2.gz CTKCVVLZVYRFJC-JTQLQIEISA-N 2 2 222.292 0.012 20 0 BCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[N@@H+]1C ZINC000928559635 645820311 /nfs/dbraw/zinc/82/03/11/645820311.db2.gz LIZZNKUUGFGZAE-LLVKDONJSA-N 2 2 236.319 0.173 20 0 BCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[N@H+]1C ZINC000928559635 645820317 /nfs/dbraw/zinc/82/03/17/645820317.db2.gz LIZZNKUUGFGZAE-LLVKDONJSA-N 2 2 236.319 0.173 20 0 BCADLP CC[NH+]1CCC([NH2+][C@H](C)c2cnnn2C)CC1 ZINC000924570930 646071244 /nfs/dbraw/zinc/07/12/44/646071244.db2.gz SADLNKRWXUQKPF-SNVBAGLBSA-N 2 2 237.351 0.950 20 0 BCADLP c1ncn(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000924825333 646112292 /nfs/dbraw/zinc/11/22/92/646112292.db2.gz QLDSJNCEFHSWBP-OLZOCXBDSA-N 2 2 249.362 0.885 20 0 BCADLP c1ncn(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000924825333 646112296 /nfs/dbraw/zinc/11/22/96/646112296.db2.gz QLDSJNCEFHSWBP-OLZOCXBDSA-N 2 2 249.362 0.885 20 0 BCADLP Cc1[nH]c(C[N@@H+]2CCC[C@H]2CO)c(C)[nH+]1 ZINC000929521940 646170052 /nfs/dbraw/zinc/17/00/52/646170052.db2.gz PMLAVVCALYTVGI-JTQLQIEISA-N 2 2 209.293 0.983 20 0 BCADLP Cc1[nH]c(C[N@H+]2CCC[C@H]2CO)c(C)[nH+]1 ZINC000929521940 646170058 /nfs/dbraw/zinc/17/00/58/646170058.db2.gz PMLAVVCALYTVGI-JTQLQIEISA-N 2 2 209.293 0.983 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cnnn1C ZINC000925140151 646193309 /nfs/dbraw/zinc/19/33/09/646193309.db2.gz ITZVLRPGSVSLLY-VWYCJHECSA-N 2 2 237.351 0.948 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cnnn1C ZINC000925140151 646193313 /nfs/dbraw/zinc/19/33/13/646193313.db2.gz ITZVLRPGSVSLLY-VWYCJHECSA-N 2 2 237.351 0.948 20 0 BCADLP CON1CC[C@@H]([N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000929638041 646215845 /nfs/dbraw/zinc/21/58/45/646215845.db2.gz ULHRLIJJPUHQNK-WDEREUQCSA-N 2 2 241.335 0.032 20 0 BCADLP CON1CC[C@@H]([N@H+]2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000929638041 646215854 /nfs/dbraw/zinc/21/58/54/646215854.db2.gz ULHRLIJJPUHQNK-WDEREUQCSA-N 2 2 241.335 0.032 20 0 BCADLP CCCNC(=O)CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925496957 646302117 /nfs/dbraw/zinc/30/21/17/646302117.db2.gz YJLIFSWPRTVGKO-LLVKDONJSA-N 2 2 239.363 0.777 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC000925499507 646303745 /nfs/dbraw/zinc/30/37/45/646303745.db2.gz ZPVCCKDQOSZVHP-RYUDHWBXSA-N 2 2 242.363 0.912 20 0 BCADLP CC[NH+]1CCC([N@H+](C)C[C@H]2COCCO2)CC1 ZINC000929778624 646304677 /nfs/dbraw/zinc/30/46/77/646304677.db2.gz JOINXUOYFQVWFK-ZDUSSCGKSA-N 2 2 242.363 0.818 20 0 BCADLP CC[NH+]1CCC([N@@H+](C)C[C@H]2COCCO2)CC1 ZINC000929778624 646304683 /nfs/dbraw/zinc/30/46/83/646304683.db2.gz JOINXUOYFQVWFK-ZDUSSCGKSA-N 2 2 242.363 0.818 20 0 BCADLP CC1(C)[C@H]([NH2+][C@@H]2C[NH2+]CCOC2)[C@@H]2CCO[C@H]21 ZINC000925521232 646314987 /nfs/dbraw/zinc/31/49/87/646314987.db2.gz JCHZVYNNBILBFG-WRWGMCAJSA-N 2 2 240.347 0.378 20 0 BCADLP CC(C)C[C@@H](CCO)C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925525408 646315083 /nfs/dbraw/zinc/31/50/83/646315083.db2.gz COMLURRRINTFAA-CHWSQXEVSA-N 2 2 244.379 0.609 20 0 BCADLP CSC(C)(C)C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925529170 646317646 /nfs/dbraw/zinc/31/76/46/646317646.db2.gz ZJRUPLWVRPJSMR-SECBINFHSA-N 2 2 218.366 0.706 20 0 BCADLP C[C@@H](O)[C@@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000929804725 646327503 /nfs/dbraw/zinc/32/75/03/646327503.db2.gz XVHIRYKUVAWWFM-KOLCDFICSA-N 2 2 239.319 0.331 20 0 BCADLP C[C@H](O)[C@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000929804621 646328047 /nfs/dbraw/zinc/32/80/47/646328047.db2.gz XBZXSGBZTDNHBZ-CMPLNLGQSA-N 2 2 239.319 0.262 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCNc1cnccn1 ZINC000925559546 646333090 /nfs/dbraw/zinc/33/30/90/646333090.db2.gz VXAXQNZSTFVAJK-JTQLQIEISA-N 2 2 235.335 0.619 20 0 BCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)[C@@H](C)O ZINC000929814352 646334054 /nfs/dbraw/zinc/33/40/54/646334054.db2.gz NPXOEFUSXFMPID-FVCCEPFGSA-N 2 2 242.363 0.287 20 0 BCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)[C@@H](C)O ZINC000929814352 646334056 /nfs/dbraw/zinc/33/40/56/646334056.db2.gz NPXOEFUSXFMPID-FVCCEPFGSA-N 2 2 242.363 0.287 20 0 BCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)[C@@H](C)O ZINC000929814352 646334058 /nfs/dbraw/zinc/33/40/58/646334058.db2.gz NPXOEFUSXFMPID-FVCCEPFGSA-N 2 2 242.363 0.287 20 0 BCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)[C@@H](C)O ZINC000929814352 646334061 /nfs/dbraw/zinc/33/40/61/646334061.db2.gz NPXOEFUSXFMPID-FVCCEPFGSA-N 2 2 242.363 0.287 20 0 BCADLP CC[C@H](C)[C@H](C)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925564067 646338447 /nfs/dbraw/zinc/33/84/47/646338447.db2.gz QURHRDGONHAUEL-DCAQKATOSA-N 2 2 200.326 0.999 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCOC[C@@H]1CCOC1 ZINC000925568957 646338567 /nfs/dbraw/zinc/33/85/67/646338567.db2.gz YYVPBJWBYGAAGR-NEPJUHHUSA-N 2 2 242.363 0.770 20 0 BCADLP C[C@H]([NH3+])[C@H]([NH2+]CCn1cncn1)c1ccccc1 ZINC000925588848 646349458 /nfs/dbraw/zinc/34/94/58/646349458.db2.gz AMPRVFWHEHQIFK-AAEUAGOBSA-N 2 2 245.330 0.956 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCS(C)(=O)=O ZINC000925592487 646349483 /nfs/dbraw/zinc/34/94/83/646349483.db2.gz WHTVQODEEUTPHT-VIFPVBQESA-N 2 2 234.365 0.151 20 0 BCADLP C1=CC[C@@H](C[NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925618613 646351890 /nfs/dbraw/zinc/35/18/90/646351890.db2.gz XAAMUQIOZJXWJV-VXGBXAGGSA-N 2 2 210.321 0.921 20 0 BCADLP COC[C@H](CCO)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925612180 646359471 /nfs/dbraw/zinc/35/94/71/646359471.db2.gz RJPIPECMKOQROV-NWDGAFQWSA-N 2 2 242.363 0.648 20 0 BCADLP CC(C)COC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925612112 646360462 /nfs/dbraw/zinc/36/04/62/646360462.db2.gz ISLWDSDSINLNNF-VXGBXAGGSA-N 2 2 244.379 0.750 20 0 BCADLP CSC1(C[NH2+][C@H]2C[NH2+]CCOC2)CCC1 ZINC000925657979 646395199 /nfs/dbraw/zinc/39/51/99/646395199.db2.gz QERQFKUXUVMVPV-JTQLQIEISA-N 2 2 230.377 0.850 20 0 BCADLP CC[C@@H]([NH2+][C@H]1C[NH2+]CCOC1)C(C)(C)O ZINC000925677266 646405857 /nfs/dbraw/zinc/40/58/57/646405857.db2.gz WVPNYBZSXHZGMV-VHSXEESVSA-N 2 2 216.325 0.114 20 0 BCADLP CC1(C)[C@@H]([NH2+]CCC[NH3+])[C@@H]2CCC[NH2+][C@@H]21 ZINC000925690330 646411662 /nfs/dbraw/zinc/41/16/62/646411662.db2.gz JBVAEYSXRXWKCY-VWYCJHECSA-N 3 2 211.353 0.701 20 0 BCADLP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C12CCC2 ZINC000925690695 646416867 /nfs/dbraw/zinc/41/68/67/646416867.db2.gz GUCQEHMAMKGBML-TUAOUCFPSA-N 3 2 223.364 0.846 20 0 BCADLP CC[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CCOC2)CCO1 ZINC000925704543 646427051 /nfs/dbraw/zinc/42/70/51/646427051.db2.gz HOUQTZKYJNGDKM-QJPTWQEYSA-N 2 2 228.336 0.522 20 0 BCADLP C[NH+](C)C1CCC([NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925704937 646428702 /nfs/dbraw/zinc/42/87/02/646428702.db2.gz ITRKNAXLQNUXTJ-OTTFEQOBSA-N 3 2 241.379 0.437 20 0 BCADLP CN1CCOC[C@H]1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925717983 646442345 /nfs/dbraw/zinc/44/23/45/646442345.db2.gz MIGXPGJMQGYGFL-GHMZBOCLSA-N 2 2 227.352 0.047 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000925719028 646444683 /nfs/dbraw/zinc/44/46/83/646444683.db2.gz PWGYQVRGVHXNSE-MNOVXSKESA-N 3 2 215.341 0.082 20 0 BCADLP CN1CCOC[C@@H]1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925719345 646444747 /nfs/dbraw/zinc/44/47/47/646444747.db2.gz RYDMBCDGSLETKJ-RYUDHWBXSA-N 2 2 239.363 0.191 20 0 BCADLP Cc1[nH]c(C[N@H+]2C[C@H](O)C[C@@H]2C)c(C)[nH+]1 ZINC000930124789 646447112 /nfs/dbraw/zinc/44/71/12/646447112.db2.gz KCANODHGROQBHM-OIBJUYFYSA-N 2 2 209.293 0.982 20 0 BCADLP Cc1[nH]c(C[N@@H+]2C[C@H](O)C[C@@H]2C)c(C)[nH+]1 ZINC000930124789 646447114 /nfs/dbraw/zinc/44/71/14/646447114.db2.gz KCANODHGROQBHM-OIBJUYFYSA-N 2 2 209.293 0.982 20 0 BCADLP C(C[C@H]1CCCS1)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925723461 646447657 /nfs/dbraw/zinc/44/76/57/646447657.db2.gz VXOVCTHCOPVQEW-GHMZBOCLSA-N 2 2 230.377 0.850 20 0 BCADLP C(C[C@@H]1CCSC1)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925725163 646450227 /nfs/dbraw/zinc/45/02/27/646450227.db2.gz QSYNCWRRLIMZNO-GHMZBOCLSA-N 2 2 230.377 0.708 20 0 BCADLP C([NH2+][C@@H]1C[NH2+]CCOC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925726991 646451962 /nfs/dbraw/zinc/45/19/62/646451962.db2.gz MNIICGIXIXBSFZ-YVECIDJPSA-N 3 2 239.363 0.095 20 0 BCADLP CCC1([NH3+])CC[NH+]([C@@H](C)C2C[NH2+]C2)CC1 ZINC000925760877 646465957 /nfs/dbraw/zinc/46/59/57/646465957.db2.gz QYSWGJHWCAMXEC-JTQLQIEISA-N 3 2 211.353 0.798 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000925771972 646472964 /nfs/dbraw/zinc/47/29/64/646472964.db2.gz OPQUFSXKDVWLLU-NAKRPEOUSA-N 2 2 246.376 0.150 20 0 BCADLP CCOCCOCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925875769 646525611 /nfs/dbraw/zinc/52/56/11/646525611.db2.gz WETPHYXXCRFZLO-NEPJUHHUSA-N 2 2 230.352 0.770 20 0 BCADLP CC[NH+](CC)CC1CC[NH+](CC[NH3+])CC1 ZINC000034248898 646532431 /nfs/dbraw/zinc/53/24/31/646532431.db2.gz ZWMWXEWQEHHLEQ-UHFFFAOYSA-N 3 2 213.369 0.999 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCc2nnn(C)c2C1 ZINC000925892659 646534682 /nfs/dbraw/zinc/53/46/82/646534682.db2.gz DFBZJYROSQSWDD-CKYFFXLPSA-N 2 2 249.362 0.260 20 0 BCADLP C[C@@H]1COC[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000926223026 646597475 /nfs/dbraw/zinc/59/74/75/646597475.db2.gz AGZRIKSROLGKIY-OUAUKWLOSA-N 2 2 221.304 0.822 20 0 BCADLP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+][C@@H](C)C[NH+](C)C ZINC000926424330 646635859 /nfs/dbraw/zinc/63/58/59/646635859.db2.gz PLZLSDXBOZZTDC-DCAQKATOSA-N 2 2 227.352 0.583 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cnn(C)n1 ZINC000926449795 646641252 /nfs/dbraw/zinc/64/12/52/646641252.db2.gz IDOOLSHFUFWLRV-RKDXNWHRSA-N 2 2 246.318 0.746 20 0 BCADLP C[C@H](C[NH2+][C@@H](C)c1cnnn1C)C[NH+](C)C ZINC000926476064 646650547 /nfs/dbraw/zinc/65/05/47/646650547.db2.gz XCXDMTSFZUIKBY-ZJUUUORDSA-N 2 2 225.340 0.663 20 0 BCADLP Cc1cn(C)nc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000723961070 711547625 /nfs/dbraw/zinc/54/76/25/711547625.db2.gz ATRXTUCPPIMNLP-GXSJLCMTSA-N 2 2 222.336 0.898 20 0 BCADLP Cc1cn(C)nc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000723961070 711547628 /nfs/dbraw/zinc/54/76/28/711547628.db2.gz ATRXTUCPPIMNLP-GXSJLCMTSA-N 2 2 222.336 0.898 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724643321 711603590 /nfs/dbraw/zinc/60/35/90/711603590.db2.gz NZONDGCGNUWXGM-WISYIIOYSA-N 2 2 226.320 0.213 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724643321 711603592 /nfs/dbraw/zinc/60/35/92/711603592.db2.gz NZONDGCGNUWXGM-WISYIIOYSA-N 2 2 226.320 0.213 20 0 BCADLP CC(C)C(=O)NCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396612594 711702655 /nfs/dbraw/zinc/70/26/55/711702655.db2.gz KMVVELFWYGOMKT-GHMZBOCLSA-N 2 2 227.352 0.489 20 0 BCADLP COCC(COC)[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000388287952 711861690 /nfs/dbraw/zinc/86/16/90/711861690.db2.gz RDHKHVDFPLIMNL-SNVBAGLBSA-N 2 2 216.325 0.317 20 0 BCADLP COCC(COC)[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000388287952 711861692 /nfs/dbraw/zinc/86/16/92/711861692.db2.gz RDHKHVDFPLIMNL-SNVBAGLBSA-N 2 2 216.325 0.317 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1COCCN1C ZINC000700176849 711871010 /nfs/dbraw/zinc/87/10/10/711871010.db2.gz OMRDJFDCQBAIFA-QJPTWQEYSA-N 2 2 227.352 0.047 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479158 712334313 /nfs/dbraw/zinc/33/43/13/712334313.db2.gz NAFRNGOPTFTEPT-NSHDSACASA-N 3 2 222.336 0.633 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479158 712334314 /nfs/dbraw/zinc/33/43/14/712334314.db2.gz NAFRNGOPTFTEPT-NSHDSACASA-N 3 2 222.336 0.633 20 0 BCADLP C[C@@H]1C[C@@H](NC[C@H]2CC[NH+]2C)CC[N@@H+]1C ZINC000712611926 712437216 /nfs/dbraw/zinc/43/72/16/712437216.db2.gz APQVUBRRUUTMFL-GRYCIOLGSA-N 2 2 211.353 0.763 20 0 BCADLP C[C@@H]1C[C@@H](NC[C@H]2CC[NH+]2C)CC[N@H+]1C ZINC000712611926 712437217 /nfs/dbraw/zinc/43/72/17/712437217.db2.gz APQVUBRRUUTMFL-GRYCIOLGSA-N 2 2 211.353 0.763 20 0 BCADLP C[C@@H]1C[C@@H](NC[C@H]2CC[N@@H+]2C)CC[NH+]1C ZINC000712611926 712437218 /nfs/dbraw/zinc/43/72/18/712437218.db2.gz APQVUBRRUUTMFL-GRYCIOLGSA-N 2 2 211.353 0.763 20 0 BCADLP C[C@@H]1C[C@@H](NC[C@H]2CC[N@H+]2C)CC[NH+]1C ZINC000712611926 712437219 /nfs/dbraw/zinc/43/72/19/712437219.db2.gz APQVUBRRUUTMFL-GRYCIOLGSA-N 2 2 211.353 0.763 20 0 BCADLP CC[N@@H+]1CC[C@H]1CNC1CC[NH+](C)CC1 ZINC000712540449 712443295 /nfs/dbraw/zinc/44/32/95/712443295.db2.gz BDNHJDQYHLGWFS-LBPRGKRZSA-N 2 2 211.353 0.764 20 0 BCADLP CC[N@H+]1CC[C@H]1CNC1CC[NH+](C)CC1 ZINC000712540449 712443296 /nfs/dbraw/zinc/44/32/96/712443296.db2.gz BDNHJDQYHLGWFS-LBPRGKRZSA-N 2 2 211.353 0.764 20 0 BCADLP C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000714249037 712480762 /nfs/dbraw/zinc/48/07/62/712480762.db2.gz UAOCKBKPJXDZKA-DBIOUOCHSA-N 2 2 246.376 0.292 20 0 BCADLP C[C@@H](CC[NH2+]C1CC(S(C)(=O)=O)C1)[NH+](C)C ZINC000716094075 712549957 /nfs/dbraw/zinc/54/99/57/712549957.db2.gz MZYCMMBHHXCYCZ-WHXUTIOJSA-N 2 2 248.392 0.492 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000380144403 712699151 /nfs/dbraw/zinc/69/91/51/712699151.db2.gz WKXYSXIHSDOCQF-VHSXEESVSA-N 2 2 213.325 0.324 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000380144403 712699153 /nfs/dbraw/zinc/69/91/53/712699153.db2.gz WKXYSXIHSDOCQF-VHSXEESVSA-N 2 2 213.325 0.324 20 0 BCADLP Cc1oncc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000380149345 712700065 /nfs/dbraw/zinc/70/00/65/712700065.db2.gz AGDTXAPJNCTNMT-QWRGUYRKSA-N 2 2 207.277 0.634 20 0 BCADLP Cc1nc(N[C@@H]2CC[N@H+](C)[C@H]2C)nc(N)[nH+]1 ZINC000719350363 712805373 /nfs/dbraw/zinc/80/53/73/712805373.db2.gz SPLLUDFEYRMPBM-POYBYMJQSA-N 2 2 222.296 0.267 20 0 BCADLP Cc1nc(N[C@@H]2CC[N@@H+](C)[C@H]2C)nc(N)[nH+]1 ZINC000719350363 712805375 /nfs/dbraw/zinc/80/53/75/712805375.db2.gz SPLLUDFEYRMPBM-POYBYMJQSA-N 2 2 222.296 0.267 20 0 BCADLP C[NH2+]CC[N@@H+](CCc1ccnn1C)C(C)C ZINC000720740930 712862917 /nfs/dbraw/zinc/86/29/17/712862917.db2.gz QUCJYOOXTFMUTO-UHFFFAOYSA-N 2 2 224.352 0.892 20 0 BCADLP CC(C)NC(=O)C[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721039878 712887485 /nfs/dbraw/zinc/88/74/85/712887485.db2.gz KXKFKUVDSTTXFI-MNOVXSKESA-N 2 2 227.352 0.298 20 0 BCADLP CC[N@@H+](CC(=O)N(C)C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721039242 712887664 /nfs/dbraw/zinc/88/76/64/712887664.db2.gz DPJMBMWUSKRECY-MNOVXSKESA-N 2 2 227.352 0.252 20 0 BCADLP CC[N@H+](CC(=O)N(C)C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721039242 712887667 /nfs/dbraw/zinc/88/76/67/712887667.db2.gz DPJMBMWUSKRECY-MNOVXSKESA-N 2 2 227.352 0.252 20 0 BCADLP COC[C@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000381224130 710610884 /nfs/dbraw/zinc/61/08/84/710610884.db2.gz HYDNFCLDGPEAIQ-NSHDSACASA-N 2 2 228.336 0.210 20 0 BCADLP CCCC[N@H+](CCC[NH2+]C1CC1)CC(N)=O ZINC000382524424 710945862 /nfs/dbraw/zinc/94/58/62/710945862.db2.gz DEQRITWFTSMGGO-UHFFFAOYSA-N 2 2 227.352 0.716 20 0 BCADLP CCCC[N@@H+](CCC[NH2+]C1CC1)CC(N)=O ZINC000382524424 710945868 /nfs/dbraw/zinc/94/58/68/710945868.db2.gz DEQRITWFTSMGGO-UHFFFAOYSA-N 2 2 227.352 0.716 20 0 BCADLP CCOC(=O)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385016604 711002868 /nfs/dbraw/zinc/00/28/68/711002868.db2.gz XDMQJOFFDSENHR-IAZYJMLFSA-N 2 2 226.320 0.431 20 0 BCADLP CCOC(=O)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385016604 711002873 /nfs/dbraw/zinc/00/28/73/711002873.db2.gz XDMQJOFFDSENHR-IAZYJMLFSA-N 2 2 226.320 0.431 20 0 BCADLP CC(C)[N@H+](CCC[NH2+]C1CC1)CC(N)=O ZINC000382506107 710971376 /nfs/dbraw/zinc/97/13/76/710971376.db2.gz XEQJIHQGSTWQCM-UHFFFAOYSA-N 2 2 213.325 0.324 20 0 BCADLP CC(C)[N@@H+](CCC[NH2+]C1CC1)CC(N)=O ZINC000382506107 710971381 /nfs/dbraw/zinc/97/13/81/710971381.db2.gz XEQJIHQGSTWQCM-UHFFFAOYSA-N 2 2 213.325 0.324 20 0 BCADLP C[C@]1(C[NH3+])CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000382532497 710973040 /nfs/dbraw/zinc/97/30/40/710973040.db2.gz JNZXIUIWZAHQMQ-GFCCVEGCSA-N 3 2 211.353 0.799 20 0 BCADLP C[C@]1(C[NH3+])CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000382532497 710973046 /nfs/dbraw/zinc/97/30/46/710973046.db2.gz JNZXIUIWZAHQMQ-GFCCVEGCSA-N 3 2 211.353 0.799 20 0 BCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000384630104 710994223 /nfs/dbraw/zinc/99/42/23/710994223.db2.gz ZVQDPYJMAVDBTE-LBPRGKRZSA-N 2 2 239.363 0.681 20 0 BCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CC1 ZINC000384630104 710994225 /nfs/dbraw/zinc/99/42/25/710994225.db2.gz ZVQDPYJMAVDBTE-LBPRGKRZSA-N 2 2 239.363 0.681 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)CC[NH2+]C(C)(C)C ZINC000388522447 711062878 /nfs/dbraw/zinc/06/28/78/711062878.db2.gz YBNRVMLGSRKEBN-UHFFFAOYSA-N 2 2 238.335 0.815 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]([NH3+])CC1CC1 ZINC000393847508 711177085 /nfs/dbraw/zinc/17/70/85/711177085.db2.gz HFNXUDSOXGULKL-MWLCHTKSSA-N 2 2 236.319 0.515 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000396615093 711361554 /nfs/dbraw/zinc/36/15/54/711361554.db2.gz SCBMUDAEABAILO-QWHCGFSZSA-N 2 2 241.379 0.439 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1NCCC[NH+]1CCOCC1 ZINC000396615093 711361558 /nfs/dbraw/zinc/36/15/58/711361558.db2.gz SCBMUDAEABAILO-QWHCGFSZSA-N 2 2 241.379 0.439 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCSCCCO ZINC000396569690 711355758 /nfs/dbraw/zinc/35/57/58/711355758.db2.gz KVWRISXQYCUJFO-GHMZBOCLSA-N 2 2 232.393 0.832 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000396587815 711357430 /nfs/dbraw/zinc/35/74/30/711357430.db2.gz AYOOATVLPUPGEK-VXGBXAGGSA-N 3 2 229.368 0.295 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1COCCO1 ZINC000396602137 711360105 /nfs/dbraw/zinc/36/01/05/711360105.db2.gz BHOPWWDAWLELDZ-AXFHLTTASA-N 2 2 214.309 0.132 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000396715982 711366251 /nfs/dbraw/zinc/36/62/51/711366251.db2.gz OHVPCCOUFYIUOW-WCQGTBRESA-N 2 2 212.337 0.878 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccnn1C ZINC000381044878 710598729 /nfs/dbraw/zinc/59/87/29/710598729.db2.gz DCCZENCBTNQDBH-CMPLNLGQSA-N 2 2 222.336 0.502 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccnn1C ZINC000381044878 710598731 /nfs/dbraw/zinc/59/87/31/710598731.db2.gz DCCZENCBTNQDBH-CMPLNLGQSA-N 2 2 222.336 0.502 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](C)CCO[C@H]1CCOC1 ZINC000724917220 710746098 /nfs/dbraw/zinc/74/60/98/710746098.db2.gz XJQOPBNOCVJILY-ZJUUUORDSA-N 2 2 202.298 0.071 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](C)CCO[C@H]1CCOC1 ZINC000724917220 710746102 /nfs/dbraw/zinc/74/61/02/710746102.db2.gz XJQOPBNOCVJILY-ZJUUUORDSA-N 2 2 202.298 0.071 20 0 BCADLP CC[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049082630 710894490 /nfs/dbraw/zinc/89/44/90/710894490.db2.gz KORUBOIFBCBHGD-PHIMTYICSA-N 2 2 248.330 0.362 20 0 BCADLP CC[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049082630 710894496 /nfs/dbraw/zinc/89/44/96/710894496.db2.gz KORUBOIFBCBHGD-PHIMTYICSA-N 2 2 248.330 0.362 20 0 BCADLP Cc1nc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n[nH]1 ZINC000392393146 711147708 /nfs/dbraw/zinc/14/77/08/711147708.db2.gz WSBBFKJDSDLNJV-YOGCLGLASA-N 2 2 249.362 0.870 20 0 BCADLP Cc1nc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n[nH]1 ZINC000392393146 711147711 /nfs/dbraw/zinc/14/77/11/711147711.db2.gz WSBBFKJDSDLNJV-YOGCLGLASA-N 2 2 249.362 0.870 20 0 BCADLP Cc1nnc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[nH]1 ZINC000392393146 711147715 /nfs/dbraw/zinc/14/77/15/711147715.db2.gz WSBBFKJDSDLNJV-YOGCLGLASA-N 2 2 249.362 0.870 20 0 BCADLP Cc1nnc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[nH]1 ZINC000392393146 711147718 /nfs/dbraw/zinc/14/77/18/711147718.db2.gz WSBBFKJDSDLNJV-YOGCLGLASA-N 2 2 249.362 0.870 20 0 BCADLP CON(C)C(=O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000397523135 711385097 /nfs/dbraw/zinc/38/50/97/711385097.db2.gz FVMNXMLHDOUXQB-WDEREUQCSA-N 2 2 241.335 0.223 20 0 BCADLP CON(C)C(=O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000397523135 711385099 /nfs/dbraw/zinc/38/50/99/711385099.db2.gz FVMNXMLHDOUXQB-WDEREUQCSA-N 2 2 241.335 0.223 20 0 BCADLP CC[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001020819132 711468115 /nfs/dbraw/zinc/46/81/15/711468115.db2.gz OZXJFRFXTFFLEB-KYZUINATSA-N 2 2 222.292 0.209 20 0 BCADLP Cc1cc(N)nc(N2CCC[N@@H+](C)CC2)[nH+]1 ZINC000891438735 711520607 /nfs/dbraw/zinc/52/06/07/711520607.db2.gz STRFTQJEKPEKKO-UHFFFAOYSA-N 2 2 221.308 0.509 20 0 BCADLP Cc1cc(N)nc(N2CCC[N@H+](C)CC2)[nH+]1 ZINC000891438735 711520609 /nfs/dbraw/zinc/52/06/09/711520609.db2.gz STRFTQJEKPEKKO-UHFFFAOYSA-N 2 2 221.308 0.509 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724564700 711592787 /nfs/dbraw/zinc/59/27/87/711592787.db2.gz WDYLUNHFGFJDGT-VOAKCMCISA-N 2 2 240.347 0.604 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724564700 711592790 /nfs/dbraw/zinc/59/27/90/711592790.db2.gz WDYLUNHFGFJDGT-VOAKCMCISA-N 2 2 240.347 0.604 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724596498 711596601 /nfs/dbraw/zinc/59/66/01/711596601.db2.gz WDYLUNHFGFJDGT-NDBYEHHHSA-N 2 2 240.347 0.604 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@H+]1C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724596498 711596604 /nfs/dbraw/zinc/59/66/04/711596604.db2.gz WDYLUNHFGFJDGT-NDBYEHHHSA-N 2 2 240.347 0.604 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)CCO[C@H]1CCOC1 ZINC000724935329 711631024 /nfs/dbraw/zinc/63/10/24/711631024.db2.gz HOMMVNOKFQCNTF-ZJUUUORDSA-N 2 2 202.298 0.071 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)CCO[C@H]1CCOC1 ZINC000724935329 711631025 /nfs/dbraw/zinc/63/10/25/711631025.db2.gz HOMMVNOKFQCNTF-ZJUUUORDSA-N 2 2 202.298 0.071 20 0 BCADLP CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000396615507 711702767 /nfs/dbraw/zinc/70/27/67/711702767.db2.gz VMDPGZWLHRNNGE-JTQLQIEISA-N 2 2 222.292 0.094 20 0 BCADLP Cn1c[nH+]c(CCNC(=[NH2+])NC2CC2)c1 ZINC000313463142 711726414 /nfs/dbraw/zinc/72/64/14/711726414.db2.gz OXRVBAWGBXJHEF-UHFFFAOYSA-N 2 2 207.281 0.239 20 0 BCADLP CO[C@@H]1COCC[C@@H]1[N@H+](C)C[C@H]1CCC[NH2+]1 ZINC000310134105 711740007 /nfs/dbraw/zinc/74/00/07/711740007.db2.gz BLNKGXVCVQTUHY-GRYCIOLGSA-N 2 2 228.336 0.474 20 0 BCADLP CO[C@@H]1COCC[C@@H]1[N@@H+](C)C[C@H]1CCC[NH2+]1 ZINC000310134105 711740009 /nfs/dbraw/zinc/74/00/09/711740009.db2.gz BLNKGXVCVQTUHY-GRYCIOLGSA-N 2 2 228.336 0.474 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000227707002 711832616 /nfs/dbraw/zinc/83/26/16/711832616.db2.gz UNBUIGDRYDGMFN-GJMOJQLCSA-N 2 2 226.242 0.721 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000227707002 711832617 /nfs/dbraw/zinc/83/26/17/711832617.db2.gz UNBUIGDRYDGMFN-GJMOJQLCSA-N 2 2 226.242 0.721 20 0 BCADLP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032733062 711934580 /nfs/dbraw/zinc/93/45/80/711934580.db2.gz ILESSLPGNLDOSV-RYUDHWBXSA-N 2 2 248.330 0.268 20 0 BCADLP CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032733062 711934581 /nfs/dbraw/zinc/93/45/81/711934581.db2.gz ILESSLPGNLDOSV-RYUDHWBXSA-N 2 2 248.330 0.268 20 0 BCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033453813 711992000 /nfs/dbraw/zinc/99/20/00/711992000.db2.gz AAWYQHRIQYOHPA-NSHDSACASA-N 2 2 236.319 0.505 20 0 BCADLP CC[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033453813 711992001 /nfs/dbraw/zinc/99/20/01/711992001.db2.gz AAWYQHRIQYOHPA-NSHDSACASA-N 2 2 236.319 0.505 20 0 BCADLP CC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C(=O)NC ZINC000700420703 711992951 /nfs/dbraw/zinc/99/29/51/711992951.db2.gz WRKFTSPQQIVVDG-KTWSDMTRSA-N 2 2 237.347 0.097 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCOCCF ZINC000702653538 712058602 /nfs/dbraw/zinc/05/86/02/712058602.db2.gz FTQKYWCKIZBNSH-VHSXEESVSA-N 2 2 204.289 0.703 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705629496 712133353 /nfs/dbraw/zinc/13/33/53/712133353.db2.gz OVQLCBBFBJVKOT-WXHSDQCUSA-N 2 2 239.363 0.524 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711281508 712293258 /nfs/dbraw/zinc/29/32/58/712293258.db2.gz KTROZOPZANZERY-VIFPVBQESA-N 2 2 236.319 0.580 20 0 BCADLP CC1(C)C[NH2+]C[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000711316590 712294157 /nfs/dbraw/zinc/29/41/57/712294157.db2.gz PBXSTXMVZCWBAX-VIFPVBQESA-N 2 2 236.319 0.314 20 0 BCADLP CCOCC[N@H+](C)C[C@H]([NH3+])CC(F)F ZINC000379544488 712387714 /nfs/dbraw/zinc/38/77/14/712387714.db2.gz USGJKOBESXQWIH-MRVPVSSYSA-N 2 2 210.268 0.937 20 0 BCADLP CCOCC[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000379544488 712387716 /nfs/dbraw/zinc/38/77/16/712387716.db2.gz USGJKOBESXQWIH-MRVPVSSYSA-N 2 2 210.268 0.937 20 0 BCADLP C[C@@H]1C[C@H](NC[C@@H]2CC[NH+]2C)CC[N@@H+]1C ZINC000712611929 712437336 /nfs/dbraw/zinc/43/73/36/712437336.db2.gz APQVUBRRUUTMFL-UTUOFQBUSA-N 2 2 211.353 0.763 20 0 BCADLP C[C@@H]1C[C@H](NC[C@@H]2CC[NH+]2C)CC[N@H+]1C ZINC000712611929 712437338 /nfs/dbraw/zinc/43/73/38/712437338.db2.gz APQVUBRRUUTMFL-UTUOFQBUSA-N 2 2 211.353 0.763 20 0 BCADLP C[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+]2C)CC[NH+]1C ZINC000712611929 712437339 /nfs/dbraw/zinc/43/73/39/712437339.db2.gz APQVUBRRUUTMFL-UTUOFQBUSA-N 2 2 211.353 0.763 20 0 BCADLP C[C@@H]1C[C@H](NC[C@@H]2CC[N@H+]2C)CC[NH+]1C ZINC000712611929 712437340 /nfs/dbraw/zinc/43/73/40/712437340.db2.gz APQVUBRRUUTMFL-UTUOFQBUSA-N 2 2 211.353 0.763 20 0 BCADLP CNc1cc(NC[C@@H]2CC[N@@H+]2C)nc[nH+]1 ZINC000712542220 712443340 /nfs/dbraw/zinc/44/33/40/712443340.db2.gz XOAPHBNVHLKCHL-QMMMGPOBSA-N 2 2 207.281 0.634 20 0 BCADLP CNc1cc(NC[C@@H]2CC[N@H+]2C)nc[nH+]1 ZINC000712542220 712443341 /nfs/dbraw/zinc/44/33/41/712443341.db2.gz XOAPHBNVHLKCHL-QMMMGPOBSA-N 2 2 207.281 0.634 20 0 BCADLP CCN1CC[C@@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000712576967 712448348 /nfs/dbraw/zinc/44/83/48/712448348.db2.gz COHMWTPILNNNBQ-OLZOCXBDSA-N 2 2 241.379 0.127 20 0 BCADLP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000712981136 712450736 /nfs/dbraw/zinc/45/07/36/712450736.db2.gz NUKWDONUBWHBEB-DMDPSCGWSA-N 2 2 248.330 0.517 20 0 BCADLP CCCn1cc(C[NH2+]CCc2c[nH+]cn2C)nn1 ZINC000714475032 712491257 /nfs/dbraw/zinc/49/12/57/712491257.db2.gz CUHMUHCVQJMGDE-UHFFFAOYSA-N 2 2 248.334 0.754 20 0 BCADLP CCn1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)nn1 ZINC000714925133 712500593 /nfs/dbraw/zinc/50/05/93/712500593.db2.gz WPSAHGFPLBDMFW-JTQLQIEISA-N 2 2 234.307 0.673 20 0 BCADLP CCN(C)C(=O)C[NH2+]C1CC[NH+](C)CC1 ZINC000037267328 712564968 /nfs/dbraw/zinc/56/49/68/712564968.db2.gz VHLWVOOEEVDKFK-UHFFFAOYSA-N 2 2 213.325 0.149 20 0 BCADLP C[C@@H](CO)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717424172 712658121 /nfs/dbraw/zinc/65/81/21/712658121.db2.gz BAXVGYHOVFAFGL-UTUOFQBUSA-N 2 2 212.337 0.783 20 0 BCADLP C[C@@H](CO)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717424172 712658122 /nfs/dbraw/zinc/65/81/22/712658122.db2.gz BAXVGYHOVFAFGL-UTUOFQBUSA-N 2 2 212.337 0.783 20 0 BCADLP C[C@@H](CO)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000717424172 712658123 /nfs/dbraw/zinc/65/81/23/712658123.db2.gz BAXVGYHOVFAFGL-UTUOFQBUSA-N 2 2 212.337 0.783 20 0 BCADLP C[C@@H](CO)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000717424172 712658124 /nfs/dbraw/zinc/65/81/24/712658124.db2.gz BAXVGYHOVFAFGL-UTUOFQBUSA-N 2 2 212.337 0.783 20 0 BCADLP COC(=O)CC[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717493489 712659868 /nfs/dbraw/zinc/65/98/68/712659868.db2.gz MBIJLAXXHFCNTI-MNOVXSKESA-N 2 2 226.320 0.718 20 0 BCADLP COC(=O)CC[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717493489 712659869 /nfs/dbraw/zinc/65/98/69/712659869.db2.gz MBIJLAXXHFCNTI-MNOVXSKESA-N 2 2 226.320 0.718 20 0 BCADLP COC(=O)CC[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000717493489 712659870 /nfs/dbraw/zinc/65/98/70/712659870.db2.gz MBIJLAXXHFCNTI-MNOVXSKESA-N 2 2 226.320 0.718 20 0 BCADLP COC(=O)CC[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000717493489 712659871 /nfs/dbraw/zinc/65/98/71/712659871.db2.gz MBIJLAXXHFCNTI-MNOVXSKESA-N 2 2 226.320 0.718 20 0 BCADLP C[NH2+]CC[N@H+](CCc1ccnn1C)C(C)C ZINC000720740930 712862915 /nfs/dbraw/zinc/86/29/15/712862915.db2.gz QUCJYOOXTFMUTO-UHFFFAOYSA-N 2 2 224.352 0.892 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720788443 712865564 /nfs/dbraw/zinc/86/55/64/712865564.db2.gz KRGXGYFSXQWQMS-JBLDHEPKSA-N 2 2 225.336 0.004 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720788443 712865565 /nfs/dbraw/zinc/86/55/65/712865565.db2.gz KRGXGYFSXQWQMS-JBLDHEPKSA-N 2 2 225.336 0.004 20 0 BCADLP CC(C)NC(=O)C[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721039878 712887484 /nfs/dbraw/zinc/88/74/84/712887484.db2.gz KXKFKUVDSTTXFI-MNOVXSKESA-N 2 2 227.352 0.298 20 0 BCADLP CC[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000721038136 712887590 /nfs/dbraw/zinc/88/75/90/712887590.db2.gz NZOIOIPALXWWKQ-OUAUKWLOSA-N 2 2 225.336 0.052 20 0 BCADLP CC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000721038136 712887592 /nfs/dbraw/zinc/88/75/92/712887592.db2.gz NZOIOIPALXWWKQ-OUAUKWLOSA-N 2 2 225.336 0.052 20 0 BCADLP CCO[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000380055808 488169217 /nfs/dbraw/zinc/16/92/17/488169217.db2.gz WRXSEMCSTMOHDJ-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CC1(C)C ZINC000572420253 398141938 /nfs/dbraw/zinc/14/19/38/398141938.db2.gz SEPFEDCJXDOYKD-NEPJUHHUSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CC1(C)C ZINC000572420253 398141941 /nfs/dbraw/zinc/14/19/41/398141941.db2.gz SEPFEDCJXDOYKD-NEPJUHHUSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CC1(C)C ZINC000572420253 398141946 /nfs/dbraw/zinc/14/19/46/398141946.db2.gz SEPFEDCJXDOYKD-NEPJUHHUSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CC1(C)C ZINC000572420253 398141948 /nfs/dbraw/zinc/14/19/48/398141948.db2.gz SEPFEDCJXDOYKD-NEPJUHHUSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C1 ZINC000378729357 346817173 /nfs/dbraw/zinc/81/71/73/346817173.db2.gz KIEHZEYRRPDNDP-UTLUCORTSA-N 2 2 234.290 0.950 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C1 ZINC000378729357 346817178 /nfs/dbraw/zinc/81/71/78/346817178.db2.gz KIEHZEYRRPDNDP-UTLUCORTSA-N 2 2 234.290 0.950 20 0 BCADLP CC(=O)N1CC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000336779578 187322787 /nfs/dbraw/zinc/32/27/87/187322787.db2.gz OTHQWGIYCNVBKH-USWWRNFRSA-N 2 2 225.336 0.147 20 0 BCADLP CC(=O)N1CC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000336779578 187322789 /nfs/dbraw/zinc/32/27/89/187322789.db2.gz OTHQWGIYCNVBKH-USWWRNFRSA-N 2 2 225.336 0.147 20 0 BCADLP C[C@@H](CCO)[N@H+](C)CCc1c[nH+]cn1C ZINC000649870974 398153312 /nfs/dbraw/zinc/15/33/12/398153312.db2.gz OSUCXNBECGVBFE-JTQLQIEISA-N 2 2 211.309 0.665 20 0 BCADLP C[C@@H](CCO)[N@@H+](C)CCc1c[nH+]cn1C ZINC000649870974 398153314 /nfs/dbraw/zinc/15/33/14/398153314.db2.gz OSUCXNBECGVBFE-JTQLQIEISA-N 2 2 211.309 0.665 20 0 BCADLP CO[C@H]1CC[N@H+](CCn2cccn2)[C@H](C[NH3+])C1 ZINC000161168006 398167635 /nfs/dbraw/zinc/16/76/35/398167635.db2.gz ZKJYETISWRKYFG-RYUDHWBXSA-N 2 2 238.335 0.321 20 0 BCADLP CO[C@H]1CC[N@@H+](CCn2cccn2)[C@H](C[NH3+])C1 ZINC000161168006 398167638 /nfs/dbraw/zinc/16/76/38/398167638.db2.gz ZKJYETISWRKYFG-RYUDHWBXSA-N 2 2 238.335 0.321 20 0 BCADLP C[C@H](C[NH2+]Cc1ncnn1C)C[NH+](C)C ZINC000379807250 398167900 /nfs/dbraw/zinc/16/79/00/398167900.db2.gz OHUJQDNANITFDR-SECBINFHSA-N 2 2 211.313 0.102 20 0 BCADLP COC[C@H](CC(C)C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415094957 398160787 /nfs/dbraw/zinc/16/07/87/398160787.db2.gz KZVVPIXDISQLLD-RYUDHWBXSA-N 2 2 230.352 0.626 20 0 BCADLP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415094955 398160801 /nfs/dbraw/zinc/16/08/01/398160801.db2.gz KZVVPIXDISQLLD-NEPJUHHUSA-N 2 2 230.352 0.626 20 0 BCADLP C[NH2+]C[C@H]1CCCN1c1nc[nH+]c(N)c1Cl ZINC000576256101 365540848 /nfs/dbraw/zinc/54/08/48/365540848.db2.gz KVGTWAPVTCNYNO-SSDOTTSWSA-N 2 2 241.726 0.900 20 0 BCADLP CCN(CC)C(=O)[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342136623 398189379 /nfs/dbraw/zinc/18/93/79/398189379.db2.gz HLGCSKKBZYZXJN-SNVBAGLBSA-N 2 2 227.352 0.714 20 0 BCADLP C[C@H](O)[C@H](C)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000520397555 398190910 /nfs/dbraw/zinc/19/09/10/398190910.db2.gz IQHLJGJFDXPISS-DCAQKATOSA-N 2 2 232.393 0.783 20 0 BCADLP CCC[C@@H](C[NH2+]C[C@@H]1C[N@H+](C)CCN1C)OC ZINC000386177545 398198514 /nfs/dbraw/zinc/19/85/14/398198514.db2.gz XOKPZBJTQFVWPW-OLZOCXBDSA-N 2 2 243.395 0.637 20 0 BCADLP CCC[C@@H](C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C)OC ZINC000386177545 398198516 /nfs/dbraw/zinc/19/85/16/398198516.db2.gz XOKPZBJTQFVWPW-OLZOCXBDSA-N 2 2 243.395 0.637 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCOC(C)(C)C1 ZINC000576285497 365552429 /nfs/dbraw/zinc/55/24/29/365552429.db2.gz KDWDGUDNHLVTBO-LLVKDONJSA-N 2 2 216.325 0.068 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCOC(C)(C)C1 ZINC000576285497 365552431 /nfs/dbraw/zinc/55/24/31/365552431.db2.gz KDWDGUDNHLVTBO-LLVKDONJSA-N 2 2 216.325 0.068 20 0 BCADLP COC[C@H](C)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000576344710 365572602 /nfs/dbraw/zinc/57/26/02/365572602.db2.gz ZNACYRHJBAQZAE-OLZOCXBDSA-N 2 2 244.379 0.705 20 0 BCADLP COC[C@H](C)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000576344710 365572610 /nfs/dbraw/zinc/57/26/10/365572610.db2.gz ZNACYRHJBAQZAE-OLZOCXBDSA-N 2 2 244.379 0.705 20 0 BCADLP Cc1cc(C)n(CC[N@@H+]2CCC[C@H]([NH3+])C2)n1 ZINC000386747427 398219045 /nfs/dbraw/zinc/21/90/45/398219045.db2.gz FQQLMJZPLFKESV-LBPRGKRZSA-N 2 2 222.336 0.923 20 0 BCADLP Cc1cc(C)n(CC[N@H+]2CCC[C@H]([NH3+])C2)n1 ZINC000386747427 398219049 /nfs/dbraw/zinc/21/90/49/398219049.db2.gz FQQLMJZPLFKESV-LBPRGKRZSA-N 2 2 222.336 0.923 20 0 BCADLP Cn1cc(CC[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cn1 ZINC000649419572 398220473 /nfs/dbraw/zinc/22/04/73/398220473.db2.gz WIBQOWFGDBQRFM-STQMWFEESA-N 2 2 234.347 0.646 20 0 BCADLP Cn1cc(CC[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cn1 ZINC000649419572 398220477 /nfs/dbraw/zinc/22/04/77/398220477.db2.gz WIBQOWFGDBQRFM-STQMWFEESA-N 2 2 234.347 0.646 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000639017081 398222532 /nfs/dbraw/zinc/22/25/32/398222532.db2.gz RFOBMECXFKLWGK-ZJUUUORDSA-N 2 2 236.319 0.756 20 0 BCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000334317552 136225302 /nfs/dbraw/zinc/22/53/02/136225302.db2.gz QPIRVTMACBGXHE-GHMZBOCLSA-N 2 2 225.336 0.243 20 0 BCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000334317552 136225303 /nfs/dbraw/zinc/22/53/03/136225303.db2.gz QPIRVTMACBGXHE-GHMZBOCLSA-N 2 2 225.336 0.243 20 0 BCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000334317552 136225304 /nfs/dbraw/zinc/22/53/04/136225304.db2.gz QPIRVTMACBGXHE-GHMZBOCLSA-N 2 2 225.336 0.243 20 0 BCADLP C[N@H+](CCNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000280706143 538937751 /nfs/dbraw/zinc/93/77/51/538937751.db2.gz WSWLLSXOHRGRSN-UHFFFAOYSA-N 2 2 236.319 0.553 20 0 BCADLP C[N@@H+](CCNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000280706143 538937753 /nfs/dbraw/zinc/93/77/53/538937753.db2.gz WSWLLSXOHRGRSN-UHFFFAOYSA-N 2 2 236.319 0.553 20 0 BCADLP C[N@@H+](CCNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000280706143 538937756 /nfs/dbraw/zinc/93/77/56/538937756.db2.gz WSWLLSXOHRGRSN-UHFFFAOYSA-N 2 2 236.319 0.553 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](C)O)C1 ZINC000379914127 365665802 /nfs/dbraw/zinc/66/58/02/365665802.db2.gz ARRWDJOQFBXTPF-MNOVXSKESA-N 2 2 216.325 0.068 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)O)C1 ZINC000379914127 365665811 /nfs/dbraw/zinc/66/58/11/365665811.db2.gz ARRWDJOQFBXTPF-MNOVXSKESA-N 2 2 216.325 0.068 20 0 BCADLP CC[C@@H](C(=O)NCc1c[nH+]cn1C)[NH+](C)C ZINC000291123254 538947803 /nfs/dbraw/zinc/94/78/03/538947803.db2.gz DPCLHLOBZNAIPS-JTQLQIEISA-N 2 2 224.308 0.377 20 0 BCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000647178655 398264840 /nfs/dbraw/zinc/26/48/40/398264840.db2.gz BMQXTODLIDORJV-RWMBFGLXSA-N 2 2 242.363 0.864 20 0 BCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000647178655 398264845 /nfs/dbraw/zinc/26/48/45/398264845.db2.gz BMQXTODLIDORJV-RWMBFGLXSA-N 2 2 242.363 0.864 20 0 BCADLP C[C@H](C[NH2+][C@H]1CO[C@H](C)C1)C[NH+]1CCOCC1 ZINC000647185001 398267194 /nfs/dbraw/zinc/26/71/94/398267194.db2.gz LLXCHYRNGXYYFI-JHJVBQTASA-N 2 2 242.363 0.722 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1(CO)CCCC1 ZINC000386345926 398264916 /nfs/dbraw/zinc/26/49/16/398264916.db2.gz SZPAOIJCPMIBAX-LLVKDONJSA-N 2 2 212.337 0.975 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1(CO)CCCC1 ZINC000386345926 398264919 /nfs/dbraw/zinc/26/49/19/398264919.db2.gz SZPAOIJCPMIBAX-LLVKDONJSA-N 2 2 212.337 0.975 20 0 BCADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]2O)C[N@@H+]1C1CC1 ZINC000378751500 346827163 /nfs/dbraw/zinc/82/71/63/346827163.db2.gz VCUUSNTXWYEOBI-LUTQBAROSA-N 2 2 210.321 0.725 20 0 BCADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]2O)C[N@H+]1C1CC1 ZINC000378751500 346827164 /nfs/dbraw/zinc/82/71/64/346827164.db2.gz VCUUSNTXWYEOBI-LUTQBAROSA-N 2 2 210.321 0.725 20 0 BCADLP CSCC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000166123858 361848318 /nfs/dbraw/zinc/84/83/18/361848318.db2.gz MFGDCQFXNVLWGI-ZJUUUORDSA-N 2 2 218.366 0.706 20 0 BCADLP C[C@@H](C(=O)NCc1[nH+]ccn1C)[C@H](C)[NH3+] ZINC000165447470 361840685 /nfs/dbraw/zinc/84/06/85/361840685.db2.gz JHMNWAKSYXCTBR-SFYZADRCSA-N 2 2 210.281 0.020 20 0 BCADLP C[N@H+](CCNC(N)=[NH2+])Cc1ccccc1 ZINC000002019307 342714477 /nfs/dbraw/zinc/71/44/77/342714477.db2.gz SDERWXCAJHTXAR-UHFFFAOYSA-N 2 2 206.293 0.601 20 0 BCADLP C[N@@H+](CCNC(N)=[NH2+])Cc1ccccc1 ZINC000002019307 342714478 /nfs/dbraw/zinc/71/44/78/342714478.db2.gz SDERWXCAJHTXAR-UHFFFAOYSA-N 2 2 206.293 0.601 20 0 BCADLP CC(C)[C@@H](C(=O)NCCc1[nH]cc[nH+]1)[C@H](C)[NH3+] ZINC000399606549 342739403 /nfs/dbraw/zinc/73/94/03/342739403.db2.gz WUVNHRLQFPNGQR-GXSJLCMTSA-N 2 2 238.335 0.688 20 0 BCADLP CC[C@H]1CC[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000518211039 398284929 /nfs/dbraw/zinc/28/49/29/398284929.db2.gz BUBKDNRAHHGLME-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CC[C@H]1CC[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000518211039 398284934 /nfs/dbraw/zinc/28/49/34/398284934.db2.gz BUBKDNRAHHGLME-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CC[C@H]1CC[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC000518211039 398284938 /nfs/dbraw/zinc/28/49/38/398284938.db2.gz BUBKDNRAHHGLME-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CC[C@H]1CC[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000518211039 398284944 /nfs/dbraw/zinc/28/49/44/398284944.db2.gz BUBKDNRAHHGLME-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP C[N@H+](CC(=O)N1CCCCC1)C1CC[NH2+]CC1 ZINC000036301371 342808990 /nfs/dbraw/zinc/80/89/90/342808990.db2.gz JRJPDRBCSXDKMI-UHFFFAOYSA-N 2 2 239.363 0.683 20 0 BCADLP C[N@@H+](CC(=O)N1CCCCC1)C1CC[NH2+]CC1 ZINC000036301371 342808991 /nfs/dbraw/zinc/80/89/91/342808991.db2.gz JRJPDRBCSXDKMI-UHFFFAOYSA-N 2 2 239.363 0.683 20 0 BCADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOC1 ZINC000449391289 398293904 /nfs/dbraw/zinc/29/39/04/398293904.db2.gz YADHHCUBVRARMG-QWHCGFSZSA-N 2 2 242.363 0.602 20 0 BCADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOC1 ZINC000449391289 398293908 /nfs/dbraw/zinc/29/39/08/398293908.db2.gz YADHHCUBVRARMG-QWHCGFSZSA-N 2 2 242.363 0.602 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000381419387 539000380 /nfs/dbraw/zinc/00/03/80/539000380.db2.gz VLBRHPXZBJPARA-GXSJLCMTSA-N 2 2 225.336 0.324 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000381419387 539000381 /nfs/dbraw/zinc/00/03/81/539000381.db2.gz VLBRHPXZBJPARA-GXSJLCMTSA-N 2 2 225.336 0.324 20 0 BCADLP Cn1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000082303946 259323501 /nfs/dbraw/zinc/32/35/01/259323501.db2.gz AYAKQPOECJQZHE-GHMZBOCLSA-N 2 2 206.293 0.071 20 0 BCADLP Oc1cccc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)c1 ZINC000623836006 342842555 /nfs/dbraw/zinc/84/25/55/342842555.db2.gz HHYCAMWHGVTBIV-ZDUSSCGKSA-N 2 2 236.315 0.548 20 0 BCADLP Oc1cccc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)c1 ZINC000623836006 342842557 /nfs/dbraw/zinc/84/25/57/342842557.db2.gz HHYCAMWHGVTBIV-ZDUSSCGKSA-N 2 2 236.315 0.548 20 0 BCADLP CC[NH+]1CCN(C(=O)c2coc(C[NH3+])c2)CC1 ZINC000188023465 342866554 /nfs/dbraw/zinc/86/65/54/342866554.db2.gz MGIAZGXLLNQGET-UHFFFAOYSA-N 2 2 237.303 0.516 20 0 BCADLP CC(C)(C)CNC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000625102147 342856153 /nfs/dbraw/zinc/85/61/53/342856153.db2.gz XBJJPIJQJNHAQR-GHMZBOCLSA-N 2 2 239.363 0.300 20 0 BCADLP CC(C)(C)CNC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000625102162 342856379 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CCn1cc[nH+]c1/C=C\C(=O)N1CC[NH2+][C@H](C)C1 ZINC000493102176 529557639 /nfs/dbraw/zinc/55/76/39/529557639.db2.gz DKDBWRVJACXJPX-DOGVGXBMSA-N 2 2 248.330 0.737 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCCCO2)CCO1 ZINC000042373623 342997695 /nfs/dbraw/zinc/99/76/95/342997695.db2.gz FDRYTLVDMZNRCX-GHMZBOCLSA-N 2 2 214.309 0.215 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCCCO2)CCO1 ZINC000042373623 342997696 /nfs/dbraw/zinc/99/76/96/342997696.db2.gz FDRYTLVDMZNRCX-GHMZBOCLSA-N 2 2 214.309 0.215 20 0 BCADLP O[C@@H](C[NH2+]CCn1cc[nH+]c1)C(F)(F)F ZINC000082680916 362100189 /nfs/dbraw/zinc/10/01/89/362100189.db2.gz BWRZMQWFPRARAO-ZETCQYMHSA-N 2 2 223.198 0.396 20 0 BCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000092951098 343148893 /nfs/dbraw/zinc/14/88/93/343148893.db2.gz VEPHQEBYCFZSKV-QWRGUYRKSA-N 2 2 236.319 0.387 20 0 BCADLP C[N@@H+]1CCN(Cc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000122475551 343159547 /nfs/dbraw/zinc/15/95/47/343159547.db2.gz KPSXBIQUCJHFIG-CYBMUJFWSA-N 2 2 237.322 0.900 20 0 BCADLP C[N@H+]1CCN(Cc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000122475551 343159548 /nfs/dbraw/zinc/15/95/48/343159548.db2.gz KPSXBIQUCJHFIG-CYBMUJFWSA-N 2 2 237.322 0.900 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccn(C)n2)C1 ZINC000123780666 343166176 /nfs/dbraw/zinc/16/61/76/343166176.db2.gz PWZCXSIXPDDZPN-MNOVXSKESA-N 2 2 222.336 0.979 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccn(C)n2)C1 ZINC000123780666 343166177 /nfs/dbraw/zinc/16/61/77/343166177.db2.gz PWZCXSIXPDDZPN-MNOVXSKESA-N 2 2 222.336 0.979 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000133610387 343185439 /nfs/dbraw/zinc/18/54/39/343185439.db2.gz XFHSPAQFBQJSAM-WDEREUQCSA-N 2 2 227.352 0.714 20 0 BCADLP CCCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000133610387 343185442 /nfs/dbraw/zinc/18/54/42/343185442.db2.gz XFHSPAQFBQJSAM-WDEREUQCSA-N 2 2 227.352 0.714 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H](C)C(=O)NC(C)C)n1C ZINC000569709342 323038086 /nfs/dbraw/zinc/03/80/86/323038086.db2.gz BUPCYBKPFJQDAO-VIFPVBQESA-N 2 2 238.335 0.731 20 0 BCADLP C[N@@H+]1CCN(C(=O)c2ccccc2)[C@H](C[NH3+])C1 ZINC000158238842 343200755 /nfs/dbraw/zinc/20/07/55/343200755.db2.gz MFBXDYROTPPGAR-GFCCVEGCSA-N 2 2 233.315 0.402 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NC1CC1 ZINC000133596840 343191019 /nfs/dbraw/zinc/19/10/19/343191019.db2.gz WNCUZTMMGWPLRY-DTWKUNHWSA-N 2 2 211.309 0.077 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NC1CC1 ZINC000133596840 343191022 /nfs/dbraw/zinc/19/10/22/343191022.db2.gz WNCUZTMMGWPLRY-DTWKUNHWSA-N 2 2 211.309 0.077 20 0 BCADLP C[N@H+](C[C@@H]1CCCCO1)C[C@@H]1C[NH2+]CCO1 ZINC000043802666 488209064 /nfs/dbraw/zinc/20/90/64/488209064.db2.gz FSKFQXVLMVMAEA-RYUDHWBXSA-N 2 2 228.336 0.476 20 0 BCADLP C[N@@H+](C[C@@H]1CCCCO1)C[C@@H]1C[NH2+]CCO1 ZINC000043802666 488209067 /nfs/dbraw/zinc/20/90/67/488209067.db2.gz FSKFQXVLMVMAEA-RYUDHWBXSA-N 2 2 228.336 0.476 20 0 BCADLP C[C@H]1CC[C@H](C[N@@H+]2CC[C@@H](F)[C@H]([NH3+])C2)O1 ZINC000634688506 343248155 /nfs/dbraw/zinc/24/81/55/343248155.db2.gz UYZJLMXDHRAYQW-LNFKQOIKSA-N 2 2 216.300 0.925 20 0 BCADLP C[C@H]1CC[C@H](C[N@H+]2CC[C@@H](F)[C@H]([NH3+])C2)O1 ZINC000634688506 343248157 /nfs/dbraw/zinc/24/81/57/343248157.db2.gz UYZJLMXDHRAYQW-LNFKQOIKSA-N 2 2 216.300 0.925 20 0 BCADLP COCC[N@H+](CC(C)C)C[C@@H]1C[NH2+]CCO1 ZINC000043802879 488209681 /nfs/dbraw/zinc/20/96/81/488209681.db2.gz NMVLLVWGCLUGNB-LBPRGKRZSA-N 2 2 230.352 0.579 20 0 BCADLP COCC[N@@H+](CC(C)C)C[C@@H]1C[NH2+]CCO1 ZINC000043802879 488209684 /nfs/dbraw/zinc/20/96/84/488209684.db2.gz NMVLLVWGCLUGNB-LBPRGKRZSA-N 2 2 230.352 0.579 20 0 BCADLP Cn1c[nH+]cc1Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000641037944 362149841 /nfs/dbraw/zinc/14/98/41/362149841.db2.gz JDVNNVRRQNABCZ-SNVBAGLBSA-N 2 2 246.318 0.212 20 0 BCADLP Cn1c[nH+]c(Cn2cc(C3CC[NH2+]CC3)nn2)c1 ZINC000641054398 362164383 /nfs/dbraw/zinc/16/43/83/362164383.db2.gz YKOMVNQCPJCWHO-UHFFFAOYSA-N 2 2 246.318 0.527 20 0 BCADLP Cn1c[nH+]c(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)c1 ZINC000641053732 362164700 /nfs/dbraw/zinc/16/47/00/362164700.db2.gz MZQJELHEJOTUSA-SNVBAGLBSA-N 2 2 246.318 0.212 20 0 BCADLP Cc1c(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cnn1C ZINC000335635440 136300823 /nfs/dbraw/zinc/30/08/23/136300823.db2.gz LLKWXSWZDUCIGU-BXKDBHETSA-N 2 2 222.336 0.816 20 0 BCADLP Cc1c(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cnn1C ZINC000335635451 136300834 /nfs/dbraw/zinc/30/08/34/136300834.db2.gz LLKWXSWZDUCIGU-SKDRFNHKSA-N 2 2 222.336 0.816 20 0 BCADLP CCC[C@H]([NH3+])C(=O)NCc1[nH+]ccn1C ZINC000070854938 343338817 /nfs/dbraw/zinc/33/88/17/343338817.db2.gz WYEUWCWXOMIFOB-QMMMGPOBSA-N 2 2 210.281 0.164 20 0 BCADLP Cn1cc(C[NH2+][C@@H]2CCCC[NH2+]C2)cn1 ZINC000335641515 136308543 /nfs/dbraw/zinc/30/85/43/136308543.db2.gz GYLDATZXVRTZNE-LLVKDONJSA-N 2 2 208.309 0.652 20 0 BCADLP CSCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602876209 349807330 /nfs/dbraw/zinc/80/73/30/349807330.db2.gz GABGCEXNSFPOSM-NSHDSACASA-N 2 2 232.393 0.738 20 0 BCADLP CSCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602876209 349807333 /nfs/dbraw/zinc/80/73/33/349807333.db2.gz GABGCEXNSFPOSM-NSHDSACASA-N 2 2 232.393 0.738 20 0 BCADLP CCOC(=O)[C@@H]1CCCC[N@@H+]1CCC[NH3+] ZINC000034623188 136319604 /nfs/dbraw/zinc/31/96/04/136319604.db2.gz YTFYFWODGCAORH-JTQLQIEISA-N 2 2 214.309 0.753 20 0 BCADLP CCOC(=O)[C@@H]1CCCC[N@H+]1CCC[NH3+] ZINC000034623188 136319605 /nfs/dbraw/zinc/31/96/05/136319605.db2.gz YTFYFWODGCAORH-JTQLQIEISA-N 2 2 214.309 0.753 20 0 BCADLP COC[C@](C)(CC(=O)OC)[NH2+]Cc1c[nH+]c[nH]1 ZINC000350273105 136357315 /nfs/dbraw/zinc/35/73/15/136357315.db2.gz ZGDWQLHKBFZZGX-NSHDSACASA-N 2 2 241.291 0.468 20 0 BCADLP C[C@@H](C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C)[NH+](C)C ZINC000678216820 488219647 /nfs/dbraw/zinc/21/96/47/488219647.db2.gz ICHKKQPBEYPIFO-DCAQKATOSA-N 2 2 227.352 0.488 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@](C)(F)C1)C1CC1 ZINC000351575253 136369281 /nfs/dbraw/zinc/36/92/81/136369281.db2.gz SEPNPKOEDXOTEU-VXGBXAGGSA-N 2 2 230.327 0.875 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@](C)(F)C1)C1CC1 ZINC000351575253 136369282 /nfs/dbraw/zinc/36/92/82/136369282.db2.gz SEPNPKOEDXOTEU-VXGBXAGGSA-N 2 2 230.327 0.875 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@](C)(F)C1)C1CC1 ZINC000351575253 136369283 /nfs/dbraw/zinc/36/92/83/136369283.db2.gz SEPNPKOEDXOTEU-VXGBXAGGSA-N 2 2 230.327 0.875 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@](C)(F)C1)C1CC1 ZINC000351575253 136369284 /nfs/dbraw/zinc/36/92/84/136369284.db2.gz SEPNPKOEDXOTEU-VXGBXAGGSA-N 2 2 230.327 0.875 20 0 BCADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NCC1CC1 ZINC000261542469 136374495 /nfs/dbraw/zinc/37/44/95/136374495.db2.gz CGLFVILNLJTRBY-RYUDHWBXSA-N 2 2 237.347 0.196 20 0 BCADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NCC1CC1 ZINC000261542469 136374496 /nfs/dbraw/zinc/37/44/96/136374496.db2.gz CGLFVILNLJTRBY-RYUDHWBXSA-N 2 2 237.347 0.196 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCSC1 ZINC000379937746 365748404 /nfs/dbraw/zinc/74/84/04/365748404.db2.gz XXOCXAQBLFSQLC-MNOVXSKESA-N 2 2 232.393 0.736 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCSC1 ZINC000379937746 365748406 /nfs/dbraw/zinc/74/84/06/365748406.db2.gz XXOCXAQBLFSQLC-MNOVXSKESA-N 2 2 232.393 0.736 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCSC1 ZINC000379937746 365748417 /nfs/dbraw/zinc/74/84/17/365748417.db2.gz XXOCXAQBLFSQLC-MNOVXSKESA-N 2 2 232.393 0.736 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000379937746 365748426 /nfs/dbraw/zinc/74/84/26/365748426.db2.gz XXOCXAQBLFSQLC-MNOVXSKESA-N 2 2 232.393 0.736 20 0 BCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)[NH+](C)C ZINC000616486847 343472457 /nfs/dbraw/zinc/47/24/57/343472457.db2.gz HRAZZVQDHQCAEC-UWVGGRQHSA-N 2 2 238.335 0.655 20 0 BCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)[NH+](C)C ZINC000616486847 343472458 /nfs/dbraw/zinc/47/24/58/343472458.db2.gz HRAZZVQDHQCAEC-UWVGGRQHSA-N 2 2 238.335 0.655 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H]1C ZINC000310549312 343530190 /nfs/dbraw/zinc/53/01/90/343530190.db2.gz UAPOAFLPYVXWJO-AGIUHOORSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H]1C ZINC000310549312 343530192 /nfs/dbraw/zinc/53/01/92/343530192.db2.gz UAPOAFLPYVXWJO-AGIUHOORSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000310549312 343530193 /nfs/dbraw/zinc/53/01/93/343530193.db2.gz UAPOAFLPYVXWJO-AGIUHOORSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000310549312 343530195 /nfs/dbraw/zinc/53/01/95/343530195.db2.gz UAPOAFLPYVXWJO-AGIUHOORSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C[C@H]1C ZINC000310549315 343530198 /nfs/dbraw/zinc/53/01/98/343530198.db2.gz UAPOAFLPYVXWJO-XQQFMLRXSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C[C@H]1C ZINC000310549315 343530199 /nfs/dbraw/zinc/53/01/99/343530199.db2.gz UAPOAFLPYVXWJO-XQQFMLRXSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000310549315 343530201 /nfs/dbraw/zinc/53/02/01/343530201.db2.gz UAPOAFLPYVXWJO-XQQFMLRXSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)C[C@H]1C ZINC000310549315 343530202 /nfs/dbraw/zinc/53/02/02/343530202.db2.gz UAPOAFLPYVXWJO-XQQFMLRXSA-N 2 2 244.379 0.656 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccoc1 ZINC000580550945 365755214 /nfs/dbraw/zinc/75/52/14/365755214.db2.gz KQQRECLMVIMZKG-GXSJLCMTSA-N 2 2 210.277 0.919 20 0 BCADLP CC(C)NC(=O)NCC[NH2+]C(C)(C)C[NH+](C)C ZINC000580558936 365764800 /nfs/dbraw/zinc/76/48/00/365764800.db2.gz URUGKGLZICTMEN-UHFFFAOYSA-N 2 2 244.383 0.624 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)CC1CC[NH2+]CC1 ZINC000379964284 365767110 /nfs/dbraw/zinc/76/71/10/365767110.db2.gz FOJXSSTWSQWADV-UHFFFAOYSA-N 2 2 236.319 0.724 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[NH+]1CCSCC1 ZINC000043802040 187267697 /nfs/dbraw/zinc/26/76/97/187267697.db2.gz LVUGOVUEAMGIDJ-VIFPVBQESA-N 2 2 202.323 0.024 20 0 BCADLP COc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)sn1 ZINC000399024962 488227012 /nfs/dbraw/zinc/22/70/12/488227012.db2.gz HBNMJMAHGZXGAW-RKDXNWHRSA-N 2 2 239.344 0.803 20 0 BCADLP COC[C@@H]([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000087479420 343650732 /nfs/dbraw/zinc/65/07/32/343650732.db2.gz FKQMXVIVSLXOPK-LLVKDONJSA-N 2 2 209.293 0.898 20 0 BCADLP CC[C@H](C(=O)OC)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000379944400 343658593 /nfs/dbraw/zinc/65/85/93/343658593.db2.gz QDESUNRMEHMVLW-OPRDCNLKSA-N 2 2 212.293 0.089 20 0 BCADLP CC[C@H](C(=O)OC)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000379944398 343658673 /nfs/dbraw/zinc/65/86/73/343658673.db2.gz QDESUNRMEHMVLW-LPEHRKFASA-N 2 2 212.293 0.089 20 0 BCADLP CC[N@H+](CC(C)C)C[C@H](O)C[NH+](C)CCOC ZINC000380121661 343681152 /nfs/dbraw/zinc/68/11/52/343681152.db2.gz BVPGSOUOQNHHQM-CYBMUJFWSA-N 2 2 246.395 0.903 20 0 BCADLP CC[N@@H+](CC(C)C)C[C@H](O)C[NH+](C)CCOC ZINC000380121661 343681154 /nfs/dbraw/zinc/68/11/54/343681154.db2.gz BVPGSOUOQNHHQM-CYBMUJFWSA-N 2 2 246.395 0.903 20 0 BCADLP CC[NH+](CC(C)C)C[C@H](O)C[N@H+](C)CCOC ZINC000380121661 343681157 /nfs/dbraw/zinc/68/11/57/343681157.db2.gz BVPGSOUOQNHHQM-CYBMUJFWSA-N 2 2 246.395 0.903 20 0 BCADLP CC[NH+](CC(C)C)C[C@H](O)C[N@@H+](C)CCOC ZINC000380121661 343681160 /nfs/dbraw/zinc/68/11/60/343681160.db2.gz BVPGSOUOQNHHQM-CYBMUJFWSA-N 2 2 246.395 0.903 20 0 BCADLP CN(C)C(=O)CC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434539 343735290 /nfs/dbraw/zinc/73/52/90/343735290.db2.gz AARLTWGPZSFKKS-UHFFFAOYSA-N 2 2 222.292 0.246 20 0 BCADLP CN(C)C(=O)CC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434539 343735292 /nfs/dbraw/zinc/73/52/92/343735292.db2.gz AARLTWGPZSFKKS-UHFFFAOYSA-N 2 2 222.292 0.246 20 0 BCADLP COC[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309118632 346967722 /nfs/dbraw/zinc/96/77/22/346967722.db2.gz SBLGEVYNVASZBA-KOLCDFICSA-N 2 2 216.325 0.066 20 0 BCADLP COC[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309118632 346967724 /nfs/dbraw/zinc/96/77/24/346967724.db2.gz SBLGEVYNVASZBA-KOLCDFICSA-N 2 2 216.325 0.066 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC12CCC2 ZINC000584121786 343762761 /nfs/dbraw/zinc/76/27/61/343762761.db2.gz XVIZUCHRDSUXHL-NSHDSACASA-N 2 2 212.337 0.927 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC12CCC2 ZINC000584121786 343762763 /nfs/dbraw/zinc/76/27/63/343762763.db2.gz XVIZUCHRDSUXHL-NSHDSACASA-N 2 2 212.337 0.927 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC12CCC2 ZINC000584121786 343762766 /nfs/dbraw/zinc/76/27/66/343762766.db2.gz XVIZUCHRDSUXHL-NSHDSACASA-N 2 2 212.337 0.927 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC12CCC2 ZINC000584121786 343762768 /nfs/dbraw/zinc/76/27/68/343762768.db2.gz XVIZUCHRDSUXHL-NSHDSACASA-N 2 2 212.337 0.927 20 0 BCADLP CN(CC[N@H+](C)C1CC1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493753666 529900953 /nfs/dbraw/zinc/90/09/53/529900953.db2.gz MNJXFMGAPCPAHQ-AATRIKPKSA-N 2 2 248.330 0.976 20 0 BCADLP CN(CC[N@@H+](C)C1CC1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493753666 529900954 /nfs/dbraw/zinc/90/09/54/529900954.db2.gz MNJXFMGAPCPAHQ-AATRIKPKSA-N 2 2 248.330 0.976 20 0 BCADLP CC(C)(F)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000634723338 343885248 /nfs/dbraw/zinc/88/52/48/343885248.db2.gz KSAXGRQBOCAZDX-SNVBAGLBSA-N 2 2 218.316 0.781 20 0 BCADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCn1cccn1)C2 ZINC000621781187 343906064 /nfs/dbraw/zinc/90/60/64/343906064.db2.gz ABDYVGAYGXDSJA-VXGBXAGGSA-N 2 2 220.320 0.696 20 0 BCADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCn1cccn1)C2 ZINC000621781187 343906065 /nfs/dbraw/zinc/90/60/65/343906065.db2.gz ABDYVGAYGXDSJA-VXGBXAGGSA-N 2 2 220.320 0.696 20 0 BCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493174981 529949240 /nfs/dbraw/zinc/94/92/40/529949240.db2.gz YNIYOLUBGILSBV-FJOGCWAESA-N 2 2 248.330 0.976 20 0 BCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493174981 529949242 /nfs/dbraw/zinc/94/92/42/529949242.db2.gz YNIYOLUBGILSBV-FJOGCWAESA-N 2 2 248.330 0.976 20 0 BCADLP CN(C)c1ccc(Cn2cc(CC[NH3+])nn2)c[nH+]1 ZINC000641176820 362254422 /nfs/dbraw/zinc/25/44/22/362254422.db2.gz AIUIHCYFOUFIEL-UHFFFAOYSA-N 2 2 246.318 0.289 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C1CCC1 ZINC000381100274 343973585 /nfs/dbraw/zinc/97/35/85/343973585.db2.gz XPVHQVRYHBLQDB-LBPRGKRZSA-N 2 2 230.352 0.410 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C1CCC1 ZINC000381100274 343973588 /nfs/dbraw/zinc/97/35/88/343973588.db2.gz XPVHQVRYHBLQDB-LBPRGKRZSA-N 2 2 230.352 0.410 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C1CCC1 ZINC000381100274 343973589 /nfs/dbraw/zinc/97/35/89/343973589.db2.gz XPVHQVRYHBLQDB-LBPRGKRZSA-N 2 2 230.352 0.410 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C1CCC1 ZINC000381100274 343973592 /nfs/dbraw/zinc/97/35/92/343973592.db2.gz XPVHQVRYHBLQDB-LBPRGKRZSA-N 2 2 230.352 0.410 20 0 BCADLP CC[C@@H]1C[N@H+](CC(=O)OC)CC[C@H]1[NH3+] ZINC000251583780 344072312 /nfs/dbraw/zinc/07/23/12/344072312.db2.gz CKSJTEGLCYDFQA-RKDXNWHRSA-N 2 2 200.282 0.219 20 0 BCADLP CC[C@@H]1C[N@@H+](CC(=O)OC)CC[C@H]1[NH3+] ZINC000251583780 344072316 /nfs/dbraw/zinc/07/23/16/344072316.db2.gz CKSJTEGLCYDFQA-RKDXNWHRSA-N 2 2 200.282 0.219 20 0 BCADLP Cc1c[nH+]ccc1NC[C@@H]1COCC[N@H+]1C ZINC000624620469 344107381 /nfs/dbraw/zinc/10/73/81/344107381.db2.gz DQQOKIQMRLBJFK-LLVKDONJSA-N 2 2 221.304 0.554 20 0 BCADLP Cc1c[nH+]ccc1NC[C@@H]1COCC[N@@H+]1C ZINC000624620469 344107384 /nfs/dbraw/zinc/10/73/84/344107384.db2.gz DQQOKIQMRLBJFK-LLVKDONJSA-N 2 2 221.304 0.554 20 0 BCADLP CCc1cc(NC[C@H]2COCC[N@@H+]2C)cc[nH+]1 ZINC000624622192 344109326 /nfs/dbraw/zinc/10/93/26/344109326.db2.gz SRPWLSOQOVXWLV-ZDUSSCGKSA-N 2 2 235.331 0.808 20 0 BCADLP CCc1cc(NC[C@H]2COCC[N@H+]2C)cc[nH+]1 ZINC000624622192 344109328 /nfs/dbraw/zinc/10/93/28/344109328.db2.gz SRPWLSOQOVXWLV-ZDUSSCGKSA-N 2 2 235.331 0.808 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[NH+]1CCSCC1 ZINC000043802043 344222412 /nfs/dbraw/zinc/22/24/12/344222412.db2.gz LVUGOVUEAMGIDJ-SECBINFHSA-N 2 2 202.323 0.024 20 0 BCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493174980 529966272 /nfs/dbraw/zinc/96/62/72/529966272.db2.gz YNIYOLUBGILSBV-BTDICHCPSA-N 2 2 248.330 0.976 20 0 BCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493174980 529966273 /nfs/dbraw/zinc/96/62/73/529966273.db2.gz YNIYOLUBGILSBV-BTDICHCPSA-N 2 2 248.330 0.976 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCCC1 ZINC000309364193 347042031 /nfs/dbraw/zinc/04/20/31/347042031.db2.gz DLFHKBSLGUPHEM-GFCCVEGCSA-N 2 2 230.352 0.411 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCCC1 ZINC000309364193 347042035 /nfs/dbraw/zinc/04/20/35/347042035.db2.gz DLFHKBSLGUPHEM-GFCCVEGCSA-N 2 2 230.352 0.411 20 0 BCADLP CCN(CC[NH3+])C(=O)Nc1cc[nH+]c(C)c1 ZINC000625873721 344273964 /nfs/dbraw/zinc/27/39/64/344273964.db2.gz UJMIACHSIJWRNG-UHFFFAOYSA-N 2 2 222.292 0.624 20 0 BCADLP Cc1cnc(C[NH2+]CCn2cc[nH+]c2)o1 ZINC000395248874 362375017 /nfs/dbraw/zinc/37/50/17/362375017.db2.gz BLCQQFBPVHILBR-UHFFFAOYSA-N 2 2 206.249 0.969 20 0 BCADLP Cc1[nH]c(C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)c[nH+]1 ZINC000634768449 344280803 /nfs/dbraw/zinc/28/08/03/344280803.db2.gz KPGUUYBBSDPUQC-SKDRFNHKSA-N 2 2 234.303 0.590 20 0 BCADLP c1cn(CCC[N@@H+]2C[C@@H]3COC[C@@H]3C2)c[nH+]1 ZINC000634780213 344316229 /nfs/dbraw/zinc/31/62/29/344316229.db2.gz XIXDCGBPMKZESQ-TXEJJXNPSA-N 2 2 221.304 0.851 20 0 BCADLP c1cn(CCC[N@H+]2C[C@@H]3COC[C@@H]3C2)c[nH+]1 ZINC000634780213 344316232 /nfs/dbraw/zinc/31/62/32/344316232.db2.gz XIXDCGBPMKZESQ-TXEJJXNPSA-N 2 2 221.304 0.851 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1CNc1cc[nH+]cc1F ZINC000641371595 362380211 /nfs/dbraw/zinc/38/02/11/362380211.db2.gz SCKBWPDRSOCFTE-JTQLQIEISA-N 2 2 238.310 0.300 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1CNc1cc[nH+]cc1F ZINC000641371595 362380212 /nfs/dbraw/zinc/38/02/12/362380212.db2.gz SCKBWPDRSOCFTE-JTQLQIEISA-N 2 2 238.310 0.300 20 0 BCADLP Cc1cc(C)n(CC[N@H+]2C[C@H]([NH3+])C[C@H]2C)n1 ZINC000385208773 344376253 /nfs/dbraw/zinc/37/62/53/344376253.db2.gz CZKPFHGVXSCNHT-ZYHUDNBSSA-N 2 2 222.336 0.921 20 0 BCADLP Cc1cc(C)n(CC[N@@H+]2C[C@H]([NH3+])C[C@H]2C)n1 ZINC000385208773 344376256 /nfs/dbraw/zinc/37/62/56/344376256.db2.gz CZKPFHGVXSCNHT-ZYHUDNBSSA-N 2 2 222.336 0.921 20 0 BCADLP CN(c1nc[nH+]c(N)c1Cl)[C@H](C[NH3+])C1CC1 ZINC000634811348 344396609 /nfs/dbraw/zinc/39/66/09/344396609.db2.gz BWCWKZRXPNOGTM-SSDOTTSWSA-N 2 2 241.726 0.886 20 0 BCADLP C[C@@H]1CN(c2nc[nH+]c3c2OCCN3)C[C@@H]1C[NH3+] ZINC000634812109 344397569 /nfs/dbraw/zinc/39/75/69/344397569.db2.gz AGGQSEYSOZMROC-BDAKNGLRSA-N 2 2 249.318 0.312 20 0 BCADLP C[C@@H]1CN(c2[nH+]cnc3c2OCCN3)C[C@@H]1C[NH3+] ZINC000634812109 344397571 /nfs/dbraw/zinc/39/75/71/344397571.db2.gz AGGQSEYSOZMROC-BDAKNGLRSA-N 2 2 249.318 0.312 20 0 BCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000600952705 344401832 /nfs/dbraw/zinc/40/18/32/344401832.db2.gz CMAJNBHLSFSLPH-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP C[N@H+]1CCCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000600952705 344401836 /nfs/dbraw/zinc/40/18/36/344401836.db2.gz CMAJNBHLSFSLPH-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H]1CC[NH2+]C1 ZINC000625885356 344403440 /nfs/dbraw/zinc/40/34/40/344403440.db2.gz XVOKPEOZMRJBKI-SNVBAGLBSA-N 2 2 245.286 0.818 20 0 BCADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)NC)CC1 ZINC000042220896 344447219 /nfs/dbraw/zinc/44/72/19/344447219.db2.gz GOGCOOQOGWBOSM-SECBINFHSA-N 2 2 213.325 0.195 20 0 BCADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H]1CO ZINC000042433536 344452919 /nfs/dbraw/zinc/45/29/19/344452919.db2.gz MLIWIUNCWYASJF-JTQLQIEISA-N 2 2 200.326 0.831 20 0 BCADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H]1CO ZINC000042433536 344452922 /nfs/dbraw/zinc/45/29/22/344452922.db2.gz MLIWIUNCWYASJF-JTQLQIEISA-N 2 2 200.326 0.831 20 0 BCADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CC(N)=O ZINC000309953416 344478282 /nfs/dbraw/zinc/47/82/82/344478282.db2.gz HEOCXEGGOFUSAU-QWRGUYRKSA-N 2 2 227.352 0.714 20 0 BCADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CC(N)=O ZINC000309953416 344478285 /nfs/dbraw/zinc/47/82/85/344478285.db2.gz HEOCXEGGOFUSAU-QWRGUYRKSA-N 2 2 227.352 0.714 20 0 BCADLP Cc1ccncc1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000381173660 344482384 /nfs/dbraw/zinc/48/23/84/344482384.db2.gz MSNLBGQMSBDUCO-AWEZNQCLSA-N 2 2 249.358 0.935 20 0 BCADLP C[C@@H]([NH2+]CC(=O)NCC1CC1)[C@@H]1CCC[NH2+]1 ZINC000400327611 344486421 /nfs/dbraw/zinc/48/64/21/344486421.db2.gz FAYVVVHGJLVNDY-KOLCDFICSA-N 2 2 225.336 0.243 20 0 BCADLP C[C@@H]([NH2+]CC(=O)NCC1CC1)[C@H]1CCC[NH2+]1 ZINC000400327614 344486492 /nfs/dbraw/zinc/48/64/92/344486492.db2.gz FAYVVVHGJLVNDY-MWLCHTKSSA-N 2 2 225.336 0.243 20 0 BCADLP CCOC(=O)[C@H](CC)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000085283493 344516684 /nfs/dbraw/zinc/51/66/84/344516684.db2.gz VIXNCHXULPMQCI-MXWKQRLJSA-N 2 2 226.320 0.479 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CCCC[NH2+]1 ZINC000037822966 344592801 /nfs/dbraw/zinc/59/28/01/344592801.db2.gz BNBSGFNWDWWOLR-SNVBAGLBSA-N 2 2 236.319 0.521 20 0 BCADLP C[NH+](C)C[C@@](C)(O)CNc1cc[nH+]cc1F ZINC000641458552 362434156 /nfs/dbraw/zinc/43/41/56/362434156.db2.gz CSFXFIFZJLYJQM-NSHDSACASA-N 2 2 227.283 0.367 20 0 BCADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(=O)NC)C1 ZINC000309404771 347056513 /nfs/dbraw/zinc/05/65/13/347056513.db2.gz ARHHYPSNIQCJAB-WDEREUQCSA-N 2 2 227.352 0.585 20 0 BCADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(=O)NC)C1 ZINC000309404771 347056515 /nfs/dbraw/zinc/05/65/15/347056515.db2.gz ARHHYPSNIQCJAB-WDEREUQCSA-N 2 2 227.352 0.585 20 0 BCADLP C[C@@H]1C[N@H+](CCN2CC[C@H]([NH3+])[C@H](C)C2)CCO1 ZINC000573966911 344578915 /nfs/dbraw/zinc/57/89/15/344578915.db2.gz AHBBVKDOHBXBGF-UPJWGTAASA-N 2 2 241.379 0.376 20 0 BCADLP C[C@@H]1C[N@@H+](CCN2CC[C@H]([NH3+])[C@H](C)C2)CCO1 ZINC000573966911 344578917 /nfs/dbraw/zinc/57/89/17/344578917.db2.gz AHBBVKDOHBXBGF-UPJWGTAASA-N 2 2 241.379 0.376 20 0 BCADLP C[NH+](C)C[C@@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000641485928 362456203 /nfs/dbraw/zinc/45/62/03/362456203.db2.gz UHCLTMVFVCRDFH-LBPRGKRZSA-N 2 2 235.331 0.962 20 0 BCADLP CCC1([NH+]2CCOCC2)CC[NH+](CCO)CC1 ZINC000626088343 344731725 /nfs/dbraw/zinc/73/17/25/344731725.db2.gz UXUGLHRJBOXLPJ-UHFFFAOYSA-N 2 2 242.363 0.556 20 0 BCADLP [NH3+][C@@H]1CC[N@H+](CCCOCC(F)(F)F)C1 ZINC000050244012 344744582 /nfs/dbraw/zinc/74/45/82/344744582.db2.gz BFBJPOLHAUJKBJ-MRVPVSSYSA-N 2 2 226.242 0.988 20 0 BCADLP [NH3+][C@@H]1CC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000050244012 344744583 /nfs/dbraw/zinc/74/45/83/344744583.db2.gz BFBJPOLHAUJKBJ-MRVPVSSYSA-N 2 2 226.242 0.988 20 0 BCADLP Cn1c[nH+]c(CN2CC[NH+](CCCF)CC2)c1 ZINC000626070412 344713278 /nfs/dbraw/zinc/71/32/78/344713278.db2.gz MXFKUBTYQYEDQC-UHFFFAOYSA-N 2 2 240.326 0.897 20 0 BCADLP C[N@@H+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C(C)(C)C1 ZINC000493146077 530066028 /nfs/dbraw/zinc/06/60/28/530066028.db2.gz GSBXMMXCILSAEB-SNAWJCMRSA-N 2 2 248.330 0.976 20 0 BCADLP C[N@H+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C(C)(C)C1 ZINC000493146077 530066029 /nfs/dbraw/zinc/06/60/29/530066029.db2.gz GSBXMMXCILSAEB-SNAWJCMRSA-N 2 2 248.330 0.976 20 0 BCADLP C[N@@H+]1CCC[C@@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492812987 530054948 /nfs/dbraw/zinc/05/49/48/530054948.db2.gz OEIHGVQKGLSAEX-ZWNMCFTASA-N 2 2 248.330 0.881 20 0 BCADLP C[N@H+]1CCC[C@@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492812987 530054949 /nfs/dbraw/zinc/05/49/49/530054949.db2.gz OEIHGVQKGLSAEX-ZWNMCFTASA-N 2 2 248.330 0.881 20 0 BCADLP C[N@@H+]1CCC[C@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492812720 530063086 /nfs/dbraw/zinc/06/30/86/530063086.db2.gz NMUPJANNMOIMGZ-WYGGZMRJSA-N 2 2 234.303 0.633 20 0 BCADLP C[N@H+]1CCC[C@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492812720 530063087 /nfs/dbraw/zinc/06/30/87/530063087.db2.gz NMUPJANNMOIMGZ-WYGGZMRJSA-N 2 2 234.303 0.633 20 0 BCADLP CCCC[N@H+](C)CC[NH2+]CCC(N)=O ZINC000562994129 323078673 /nfs/dbraw/zinc/07/86/73/323078673.db2.gz VNYUGEFSASYKQN-UHFFFAOYSA-N 2 2 201.314 0.183 20 0 BCADLP CCCC[N@@H+](C)CC[NH2+]CCC(N)=O ZINC000562994129 323078674 /nfs/dbraw/zinc/07/86/74/323078674.db2.gz VNYUGEFSASYKQN-UHFFFAOYSA-N 2 2 201.314 0.183 20 0 BCADLP Cc1c[nH]c(CN2CC[N@@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000628167466 344878152 /nfs/dbraw/zinc/87/81/52/344878152.db2.gz OZAQHOMWDIOFPZ-LLVKDONJSA-N 2 2 220.320 0.998 20 0 BCADLP Cc1c[nH]c(CN2CC[N@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000628167466 344878154 /nfs/dbraw/zinc/87/81/54/344878154.db2.gz OZAQHOMWDIOFPZ-LLVKDONJSA-N 2 2 220.320 0.998 20 0 BCADLP Cc1ncc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000628191375 344945933 /nfs/dbraw/zinc/94/59/33/344945933.db2.gz ISRVPGUSIKAXHG-AOOOYVTPSA-N 2 2 207.277 0.634 20 0 BCADLP Cc1ncc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000628191375 344945936 /nfs/dbraw/zinc/94/59/36/344945936.db2.gz ISRVPGUSIKAXHG-AOOOYVTPSA-N 2 2 207.277 0.634 20 0 BCADLP CCn1cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)cn1 ZINC000154325283 345024682 /nfs/dbraw/zinc/02/46/82/345024682.db2.gz CGECPWLVMJIFPB-ZYHUDNBSSA-N 2 2 240.351 0.476 20 0 BCADLP C[NH2+]CCC[N@H+](C)C[C@H](C[NH3+])C(C)C ZINC000634996594 345189956 /nfs/dbraw/zinc/18/99/56/345189956.db2.gz OOOZNELNCCYQSR-NSHDSACASA-N 3 2 201.358 0.759 20 0 BCADLP C[NH2+]CCC[N@@H+](C)C[C@H](C[NH3+])C(C)C ZINC000634996594 345189958 /nfs/dbraw/zinc/18/99/58/345189958.db2.gz OOOZNELNCCYQSR-NSHDSACASA-N 3 2 201.358 0.759 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC34CC(C3)C[NH2+]4)C[C@H]21 ZINC000634991689 345178428 /nfs/dbraw/zinc/17/84/28/345178428.db2.gz OBWPURSSIWWJQS-DEULPLRUSA-N 3 2 235.375 0.798 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC34CC(C3)C[NH2+]4)C[C@H]21 ZINC000634991689 345178430 /nfs/dbraw/zinc/17/84/30/345178430.db2.gz OBWPURSSIWWJQS-DEULPLRUSA-N 3 2 235.375 0.798 20 0 BCADLP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634991765 345178567 /nfs/dbraw/zinc/17/85/67/345178567.db2.gz QUOMVDIMYSYXDN-URAGZPLESA-N 2 2 237.347 0.324 20 0 BCADLP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634991765 345178569 /nfs/dbraw/zinc/17/85/69/345178569.db2.gz QUOMVDIMYSYXDN-URAGZPLESA-N 2 2 237.347 0.324 20 0 BCADLP CO[C@@H]1CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634992673 345180759 /nfs/dbraw/zinc/18/07/59/345180759.db2.gz XFIHLDNOWDVHOY-MOENNCHZSA-N 2 2 210.321 0.849 20 0 BCADLP CO[C@@H]1CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634992673 345180762 /nfs/dbraw/zinc/18/07/62/345180762.db2.gz XFIHLDNOWDVHOY-MOENNCHZSA-N 2 2 210.321 0.849 20 0 BCADLP CO[C@H]1CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634992672 345180913 /nfs/dbraw/zinc/18/09/13/345180913.db2.gz XFIHLDNOWDVHOY-CXQJBGSLSA-N 2 2 210.321 0.849 20 0 BCADLP CO[C@H]1CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634992672 345180916 /nfs/dbraw/zinc/18/09/16/345180916.db2.gz XFIHLDNOWDVHOY-CXQJBGSLSA-N 2 2 210.321 0.849 20 0 BCADLP NC(=O)C[C@H]1CCCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992738 345181246 /nfs/dbraw/zinc/18/12/46/345181246.db2.gz ZBZHUONWSLMISS-QWKFWESOSA-N 2 2 237.347 0.468 20 0 BCADLP NC(=O)C[C@H]1CCCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992738 345181248 /nfs/dbraw/zinc/18/12/48/345181248.db2.gz ZBZHUONWSLMISS-QWKFWESOSA-N 2 2 237.347 0.468 20 0 BCADLP [NH3+]CC1(C[NH2+]CCC[NH2+]Cc2cccnc2)CC1 ZINC000634994599 345181974 /nfs/dbraw/zinc/18/19/74/345181974.db2.gz IRBLRBJINBLSPF-UHFFFAOYSA-N 3 2 248.374 0.890 20 0 BCADLP C([N@@H+]1C[C@@H]2C[C@H]1CS2)C12CC(C1)C[NH2+]2 ZINC000634996809 345182024 /nfs/dbraw/zinc/18/20/24/345182024.db2.gz VXXXFOSSVHFZPA-SEQHWMEXSA-N 2 2 210.346 0.928 20 0 BCADLP C([N@H+]1C[C@@H]2C[C@H]1CS2)C12CC(C1)C[NH2+]2 ZINC000634996809 345182025 /nfs/dbraw/zinc/18/20/25/345182025.db2.gz VXXXFOSSVHFZPA-SEQHWMEXSA-N 2 2 210.346 0.928 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000634994981 345183688 /nfs/dbraw/zinc/18/36/88/345183688.db2.gz RKVUFJCNWBJHQH-UPJWGTAASA-N 3 2 225.380 0.901 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000634994981 345183692 /nfs/dbraw/zinc/18/36/92/345183692.db2.gz RKVUFJCNWBJHQH-UPJWGTAASA-N 3 2 225.380 0.901 20 0 BCADLP O=C1C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)CN1C1CC1 ZINC000634996862 345184569 /nfs/dbraw/zinc/18/45/69/345184569.db2.gz XISXEHMZEOWACY-RUETXSTFSA-N 2 2 235.331 0.091 20 0 BCADLP COC[C@]1(C[NH2+]C[C@H](C[NH3+])C(C)C)CCC[NH2+]1 ZINC000634995722 345185038 /nfs/dbraw/zinc/18/50/38/345185038.db2.gz NBTPBFNRNCDZEN-QWHCGFSZSA-N 3 2 243.395 0.576 20 0 BCADLP [NH3+]Cc1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000634996933 345186934 /nfs/dbraw/zinc/18/69/34/345186934.db2.gz ZCWIDRFLOXVZRE-UHFFFAOYSA-N 3 2 231.343 0.987 20 0 BCADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCNC(=O)CC1 ZINC000634950124 345126716 /nfs/dbraw/zinc/12/67/16/345126716.db2.gz JUMIMETZXWQITQ-NEPJUHHUSA-N 2 2 239.363 0.729 20 0 BCADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCNC(=O)CC1 ZINC000634950124 345126717 /nfs/dbraw/zinc/12/67/17/345126717.db2.gz JUMIMETZXWQITQ-NEPJUHHUSA-N 2 2 239.363 0.729 20 0 BCADLP C[C@H](C[NH2+][C@@H]1CCNC(=O)CC1)[N@H+](C)C1CC1 ZINC000634959793 345132980 /nfs/dbraw/zinc/13/29/80/345132980.db2.gz BBWIBZCZTIWODA-MNOVXSKESA-N 2 2 239.363 0.727 20 0 BCADLP C[C@H](C[NH2+][C@@H]1CCNC(=O)CC1)[N@@H+](C)C1CC1 ZINC000634959793 345132982 /nfs/dbraw/zinc/13/29/82/345132982.db2.gz BBWIBZCZTIWODA-MNOVXSKESA-N 2 2 239.363 0.727 20 0 BCADLP CC(C)[C@@H](C[NH3+])C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634996420 345187783 /nfs/dbraw/zinc/18/77/83/345187783.db2.gz JFRMVSKGKIMMJJ-CXQJBGSLSA-N 3 2 211.353 0.559 20 0 BCADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000634966489 345139552 /nfs/dbraw/zinc/13/95/52/345139552.db2.gz OCORQYVDFBFMAH-VXGBXAGGSA-N 2 2 239.363 0.587 20 0 BCADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000634966489 345139553 /nfs/dbraw/zinc/13/95/53/345139553.db2.gz OCORQYVDFBFMAH-VXGBXAGGSA-N 2 2 239.363 0.587 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000634996576 345188621 /nfs/dbraw/zinc/18/86/21/345188621.db2.gz OIKGNHTWLUKEMF-NEPJUHHUSA-N 3 2 229.368 0.267 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000634996576 345188623 /nfs/dbraw/zinc/18/86/23/345188623.db2.gz OIKGNHTWLUKEMF-NEPJUHHUSA-N 3 2 229.368 0.267 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@@]2(CC)CCC[NH2+]2)CC1 ZINC000128731022 345244171 /nfs/dbraw/zinc/24/41/71/345244171.db2.gz QLWWVMKTWHQBMF-CYBMUJFWSA-N 2 2 239.363 0.683 20 0 BCADLP Cc1cn[nH]c1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999717 345200526 /nfs/dbraw/zinc/20/05/26/345200526.db2.gz YHNKYDXKAGQLTG-NXEZZACHSA-N 2 2 208.309 0.745 20 0 BCADLP Cc1cn[nH]c1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999717 345200528 /nfs/dbraw/zinc/20/05/28/345200528.db2.gz YHNKYDXKAGQLTG-NXEZZACHSA-N 2 2 208.309 0.745 20 0 BCADLP C[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1C[NH3+] ZINC000634999805 345201203 /nfs/dbraw/zinc/20/12/03/345201203.db2.gz ZFTWTNMOCBRWPV-NXEZZACHSA-N 2 2 208.309 0.447 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1C[NH3+] ZINC000634999805 345201206 /nfs/dbraw/zinc/20/12/06/345201206.db2.gz ZFTWTNMOCBRWPV-NXEZZACHSA-N 2 2 208.309 0.447 20 0 BCADLP C[C@@]1(C[NH+]2CCC([NH2+]CCO)CC2)CC[NH2+]C1 ZINC000635002221 345204107 /nfs/dbraw/zinc/20/41/07/345204107.db2.gz LDVWWWMTBSYBFV-CYBMUJFWSA-N 3 2 241.379 0.032 20 0 BCADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCc1[nH]cc[nH+]1 ZINC000158547925 345344980 /nfs/dbraw/zinc/34/49/80/345344980.db2.gz HWQRFCVMWCHVQO-PSASIEDQSA-N 2 2 224.308 0.442 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158527665 345345859 /nfs/dbraw/zinc/34/58/59/345345859.db2.gz KCINCTNLYNWAIV-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158527665 345345861 /nfs/dbraw/zinc/34/58/61/345345861.db2.gz KCINCTNLYNWAIV-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP CCNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158527665 345345864 /nfs/dbraw/zinc/34/58/64/345345864.db2.gz KCINCTNLYNWAIV-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP CCNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158527665 345345865 /nfs/dbraw/zinc/34/58/65/345345865.db2.gz KCINCTNLYNWAIV-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP CC(C)[N@H+](CCn1cc[nH+]c1)CC(N)=O ZINC000162246418 187302250 /nfs/dbraw/zinc/30/22/50/187302250.db2.gz NZUMSDXTPKIXFB-UHFFFAOYSA-N 2 2 210.281 0.079 20 0 BCADLP CC(C)[N@@H+](CCn1cc[nH+]c1)CC(N)=O ZINC000162246418 187302251 /nfs/dbraw/zinc/30/22/51/187302251.db2.gz NZUMSDXTPKIXFB-UHFFFAOYSA-N 2 2 210.281 0.079 20 0 BCADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NC1CC1 ZINC000080960576 345455562 /nfs/dbraw/zinc/45/55/62/345455562.db2.gz RNQNJGYXKBMIAC-SNVBAGLBSA-N 2 2 248.330 0.868 20 0 BCADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NC1CC1 ZINC000080960576 345455563 /nfs/dbraw/zinc/45/55/63/345455563.db2.gz RNQNJGYXKBMIAC-SNVBAGLBSA-N 2 2 248.330 0.868 20 0 BCADLP CC(=O)N1CC([NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC000575329640 345394076 /nfs/dbraw/zinc/39/40/76/345394076.db2.gz NHIYYNAMJLFVDR-UHFFFAOYSA-N 2 2 248.330 0.468 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081633383 345488700 /nfs/dbraw/zinc/48/87/00/345488700.db2.gz RRJLEDWTEOOXDW-CMPLNLGQSA-N 2 2 239.363 0.524 20 0 BCADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081633383 345488702 /nfs/dbraw/zinc/48/87/02/345488702.db2.gz RRJLEDWTEOOXDW-CMPLNLGQSA-N 2 2 239.363 0.524 20 0 BCADLP C[C@@H](C(N)=O)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081633383 345488706 /nfs/dbraw/zinc/48/87/06/345488706.db2.gz RRJLEDWTEOOXDW-CMPLNLGQSA-N 2 2 239.363 0.524 20 0 BCADLP C[C@@H](C(N)=O)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081633383 345488708 /nfs/dbraw/zinc/48/87/08/345488708.db2.gz RRJLEDWTEOOXDW-CMPLNLGQSA-N 2 2 239.363 0.524 20 0 BCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NCc1ccco1 ZINC000107573606 345540450 /nfs/dbraw/zinc/54/04/50/345540450.db2.gz AKKXQUQHSFOZOI-GHMZBOCLSA-N 2 2 249.314 0.047 20 0 BCADLP CCOC[C@H](O)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000068951858 349932610 /nfs/dbraw/zinc/93/26/10/349932610.db2.gz YZULZPUCWQUODG-WDEREUQCSA-N 2 2 227.308 0.259 20 0 BCADLP CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000223492704 345749419 /nfs/dbraw/zinc/74/94/19/345749419.db2.gz LTASAIPIGUCYJH-ZDUSSCGKSA-N 2 2 239.363 0.633 20 0 BCADLP CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000223492704 345749421 /nfs/dbraw/zinc/74/94/21/345749421.db2.gz LTASAIPIGUCYJH-ZDUSSCGKSA-N 2 2 239.363 0.633 20 0 BCADLP CC(C)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000212243755 345726658 /nfs/dbraw/zinc/72/66/58/345726658.db2.gz KBFNANXAKZFLDT-LLVKDONJSA-N 2 2 200.326 0.831 20 0 BCADLP CC(C)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000212243755 345726661 /nfs/dbraw/zinc/72/66/61/345726661.db2.gz KBFNANXAKZFLDT-LLVKDONJSA-N 2 2 200.326 0.831 20 0 BCADLP CCc1c[nH]c(CC(=O)N(C)CC[NH+](C)C)[nH+]1 ZINC000635640609 345913522 /nfs/dbraw/zinc/91/35/22/345913522.db2.gz KYVCXBKYUBVULF-UHFFFAOYSA-N 2 2 238.335 0.535 20 0 BCADLP CC(C)[C@@](C)([NH2+]CCCn1cc[nH+]c1)C(N)=O ZINC000289376124 187361646 /nfs/dbraw/zinc/36/16/46/187361646.db2.gz PNZYNNYSRVOOFX-GFCCVEGCSA-N 2 2 238.335 0.763 20 0 BCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000570959634 323101569 /nfs/dbraw/zinc/10/15/69/323101569.db2.gz BATXOHVYGVYRHK-IUCAKERBSA-N 2 2 239.323 0.345 20 0 BCADLP C[C@H](C(=O)N(C)CCCn1cc[nH+]c1)[NH+](C)C ZINC000635704980 345991459 /nfs/dbraw/zinc/99/14/59/345991459.db2.gz QALKKVMQCWSUQH-LLVKDONJSA-N 2 2 238.335 0.682 20 0 BCADLP C[C@H](C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000635756719 346050972 /nfs/dbraw/zinc/05/09/72/346050972.db2.gz ICHKKQPBEYPIFO-HBNTYKKESA-N 2 2 227.352 0.488 20 0 BCADLP C[C@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C)[NH+](C)C ZINC000635762777 346052540 /nfs/dbraw/zinc/05/25/40/346052540.db2.gz QPMSBYNXPYIDIV-OUAUKWLOSA-N 2 2 227.352 0.488 20 0 BCADLP C[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C)[NH+](C)C ZINC000635762777 346052544 /nfs/dbraw/zinc/05/25/44/346052544.db2.gz QPMSBYNXPYIDIV-OUAUKWLOSA-N 2 2 227.352 0.488 20 0 BCADLP O=C(Cn1cc[nH+]c1)NCC[NH+]1CCCC1 ZINC000673632002 488298807 /nfs/dbraw/zinc/29/88/07/488298807.db2.gz DWAXOPASPUINFV-UHFFFAOYSA-N 2 2 222.292 0.095 20 0 BCADLP C[C@H](C(=O)N[C@@H]1CCc2c[nH+]cn2C1)[NH+](C)C ZINC000635917381 346109083 /nfs/dbraw/zinc/10/90/83/346109083.db2.gz AWRSGFDDHWBGTJ-NXEZZACHSA-N 2 2 236.319 0.264 20 0 BCADLP CCc1c[nH]c(CC(=O)N[C@@H](C)C[NH+](C)C)[nH+]1 ZINC000635928657 346111000 /nfs/dbraw/zinc/11/10/00/346111000.db2.gz KUQCXVVMJJSPQO-VIFPVBQESA-N 2 2 238.335 0.581 20 0 BCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635928307 346117497 /nfs/dbraw/zinc/11/74/97/346117497.db2.gz CYMLVACGOZDRLZ-IVZWLZJFSA-N 2 2 236.319 0.580 20 0 BCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635928307 346117498 /nfs/dbraw/zinc/11/74/98/346117498.db2.gz CYMLVACGOZDRLZ-IVZWLZJFSA-N 2 2 236.319 0.580 20 0 BCADLP C[NH+](C)CC1(C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000635946110 346119416 /nfs/dbraw/zinc/11/94/16/346119416.db2.gz ZLNRDSBLBIQTLI-UHFFFAOYSA-N 2 2 248.330 0.567 20 0 BCADLP COc1cc[nH+]cc1CNC(=O)[C@@H](C)[NH+](C)C ZINC000635958573 346133163 /nfs/dbraw/zinc/13/31/63/346133163.db2.gz YZASRRKGMXFEGR-SECBINFHSA-N 2 2 237.303 0.657 20 0 BCADLP C[NH+](C)CC1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000635984996 346138129 /nfs/dbraw/zinc/13/81/29/346138129.db2.gz FECVSPHNGSHSJB-SNVBAGLBSA-N 2 2 248.330 0.266 20 0 BCADLP Cc1c[nH]c(CN2CC[C@H]([NH+](C)C)C2)[nH+]1 ZINC000628278134 346287358 /nfs/dbraw/zinc/28/73/58/346287358.db2.gz BHPBVGMRWTXMSH-JTQLQIEISA-N 2 2 208.309 0.854 20 0 BCADLP C[C@H](C(=O)N[C@@H](C)c1[nH+]ccn1C)[NH+](C)C ZINC000636211576 346355048 /nfs/dbraw/zinc/35/50/48/346355048.db2.gz KMIPQIBIQCPMKX-DTWKUNHWSA-N 2 2 224.308 0.547 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCC(C)(C)O)n1C ZINC000567124924 323123037 /nfs/dbraw/zinc/12/30/37/323123037.db2.gz XCKOJWITZZYKCE-UHFFFAOYSA-N 2 2 211.309 0.979 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC(=O)N(C)C2)n1C ZINC000574928006 346416363 /nfs/dbraw/zinc/41/63/63/346416363.db2.gz FHZSCUZXJSDLQW-SNVBAGLBSA-N 2 2 236.319 0.439 20 0 BCADLP C[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000200360145 346421201 /nfs/dbraw/zinc/42/12/01/346421201.db2.gz WQEXMOLJEITDFL-UHFFFAOYSA-N 2 2 222.292 0.047 20 0 BCADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CC[C@H]1[NH3+] ZINC000641795869 362737179 /nfs/dbraw/zinc/73/71/79/362737179.db2.gz APDPFBASMYPSBI-ZYHUDNBSSA-N 3 2 222.336 0.632 20 0 BCADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CC[C@H]1[NH3+] ZINC000641795869 362737184 /nfs/dbraw/zinc/73/71/84/362737184.db2.gz APDPFBASMYPSBI-ZYHUDNBSSA-N 3 2 222.336 0.632 20 0 BCADLP Cn1c[nH+]cc1CC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000641798305 362738507 /nfs/dbraw/zinc/73/85/07/362738507.db2.gz FFYJPMLWPJMLFK-UHFFFAOYSA-N 3 2 234.347 0.791 20 0 BCADLP COc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)on1 ZINC000641797521 362743193 /nfs/dbraw/zinc/74/31/93/362743193.db2.gz DGMMKOUKNBDODP-LBPRGKRZSA-N 2 2 237.303 0.869 20 0 BCADLP COc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)on1 ZINC000641797521 362743196 /nfs/dbraw/zinc/74/31/96/362743196.db2.gz DGMMKOUKNBDODP-LBPRGKRZSA-N 2 2 237.303 0.869 20 0 BCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCc1c[nH+]cn1C ZINC000641798162 362743280 /nfs/dbraw/zinc/74/32/80/362743280.db2.gz LWOKWSJFLIHHSB-MNOVXSKESA-N 3 2 222.336 0.632 20 0 BCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCc1c[nH+]cn1C ZINC000641798162 362743283 /nfs/dbraw/zinc/74/32/83/362743283.db2.gz LWOKWSJFLIHHSB-MNOVXSKESA-N 3 2 222.336 0.632 20 0 BCADLP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)on1 ZINC000641799676 362748961 /nfs/dbraw/zinc/74/89/61/362748961.db2.gz ZBPDQCJUFZHECI-DTWKUNHWSA-N 2 2 225.292 0.852 20 0 BCADLP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)on1 ZINC000641799676 362748965 /nfs/dbraw/zinc/74/89/65/362748965.db2.gz ZBPDQCJUFZHECI-DTWKUNHWSA-N 2 2 225.292 0.852 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000641797178 362741470 /nfs/dbraw/zinc/74/14/70/362741470.db2.gz WZZVOFKBNLXGEY-SNVBAGLBSA-N 3 2 208.309 0.386 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000641797178 362741476 /nfs/dbraw/zinc/74/14/76/362741476.db2.gz WZZVOFKBNLXGEY-SNVBAGLBSA-N 3 2 208.309 0.386 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)C1 ZINC000580095794 346523509 /nfs/dbraw/zinc/52/35/09/346523509.db2.gz HTYQLJTWIVOCGC-IJLUTSLNSA-N 3 2 211.353 0.988 20 0 BCADLP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)C1 ZINC000580095793 346523632 /nfs/dbraw/zinc/52/36/32/346523632.db2.gz HTYQLJTWIVOCGC-GRYCIOLGSA-N 3 2 211.353 0.988 20 0 BCADLP CCC[C@@H](C)CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000162452586 346523798 /nfs/dbraw/zinc/52/37/98/346523798.db2.gz PEKZCIMLRYNKOY-NEPJUHHUSA-N 2 2 241.379 0.914 20 0 BCADLP CCC[C@@H](C)CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000162452586 346523799 /nfs/dbraw/zinc/52/37/99/346523799.db2.gz PEKZCIMLRYNKOY-NEPJUHHUSA-N 2 2 241.379 0.914 20 0 BCADLP CCC(F)(F)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000641800399 362751416 /nfs/dbraw/zinc/75/14/16/362751416.db2.gz XHQLATSBFIDXFL-UHFFFAOYSA-N 2 2 222.279 0.817 20 0 BCADLP COc1cncc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)n1 ZINC000641801467 362755087 /nfs/dbraw/zinc/75/50/87/362755087.db2.gz QYXSUCRAVDKHRQ-VHSXEESVSA-N 2 2 236.319 0.701 20 0 BCADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ncnn1CCF ZINC000641801584 362756199 /nfs/dbraw/zinc/75/61/99/362756199.db2.gz SUTSVZXRKKNWEX-IUCAKERBSA-N 2 2 241.314 0.463 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)CO1 ZINC000402161065 349972478 /nfs/dbraw/zinc/97/24/78/349972478.db2.gz QRJVEQNSPFLOPY-VHSXEESVSA-N 2 2 238.335 0.753 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C(C)(C)C1 ZINC000387825328 347100637 /nfs/dbraw/zinc/10/06/37/347100637.db2.gz XECBUIHELZQWFB-QWRGUYRKSA-N 2 2 230.352 0.002 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C(C)(C)C1 ZINC000387825328 347100639 /nfs/dbraw/zinc/10/06/39/347100639.db2.gz XECBUIHELZQWFB-QWRGUYRKSA-N 2 2 230.352 0.002 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000387825328 347100640 /nfs/dbraw/zinc/10/06/40/347100640.db2.gz XECBUIHELZQWFB-QWRGUYRKSA-N 2 2 230.352 0.002 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000387825328 347100641 /nfs/dbraw/zinc/10/06/41/347100641.db2.gz XECBUIHELZQWFB-QWRGUYRKSA-N 2 2 230.352 0.002 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)Nc1cc[nH+]cc1C(N)=O ZINC000580138168 346549322 /nfs/dbraw/zinc/54/93/22/346549322.db2.gz GQXASUMUWWYHSS-VIFPVBQESA-N 2 2 245.286 0.300 20 0 BCADLP COC[C@H](O)C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000582057297 347152882 /nfs/dbraw/zinc/15/28/82/347152882.db2.gz CIGPJEAPKHQSGF-GFCCVEGCSA-N 2 2 249.314 0.474 20 0 BCADLP C[C@@H](O)CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000571340683 323141923 /nfs/dbraw/zinc/14/19/23/323141923.db2.gz KFXUZSXLCVITLD-MNOVXSKESA-N 2 2 223.320 0.980 20 0 BCADLP C[C@@H](O)CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000571340683 323141924 /nfs/dbraw/zinc/14/19/24/323141924.db2.gz KFXUZSXLCVITLD-MNOVXSKESA-N 2 2 223.320 0.980 20 0 BCADLP CC[C@@H](C[N@H+](C)C1CC[NH+](CCO)CC1)OC ZINC000419224492 192106507 /nfs/dbraw/zinc/10/65/07/192106507.db2.gz ZOQKNJIXIPQXPZ-ZDUSSCGKSA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@@H](C[N@@H+](C)C1CC[NH+](CCO)CC1)OC ZINC000419224492 192106509 /nfs/dbraw/zinc/10/65/09/192106509.db2.gz ZOQKNJIXIPQXPZ-ZDUSSCGKSA-N 2 2 244.379 0.800 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000396743377 362832485 /nfs/dbraw/zinc/83/24/85/362832485.db2.gz VBLMYDDKCOLCSV-NEPJUHHUSA-N 2 2 239.363 0.729 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000396743377 362832490 /nfs/dbraw/zinc/83/24/90/362832490.db2.gz VBLMYDDKCOLCSV-NEPJUHHUSA-N 2 2 239.363 0.729 20 0 BCADLP CSC[C@@H](O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000188166457 259395875 /nfs/dbraw/zinc/39/58/75/259395875.db2.gz CLBNEXDPHBMCRZ-NSHDSACASA-N 2 2 243.376 0.929 20 0 BCADLP CSC[C@@H](O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000188166457 259395877 /nfs/dbraw/zinc/39/58/77/259395877.db2.gz CLBNEXDPHBMCRZ-NSHDSACASA-N 2 2 243.376 0.929 20 0 BCADLP CN(CC[NH3+])C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000577232679 365893201 /nfs/dbraw/zinc/89/32/01/365893201.db2.gz PKAZBLZHVYLFKB-UHFFFAOYSA-N 2 2 233.275 0.757 20 0 BCADLP COC(=O)CC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591447829 347663725 /nfs/dbraw/zinc/66/37/25/347663725.db2.gz AKIJJBBEHSZBDU-VHSXEESVSA-N 2 2 212.293 0.233 20 0 BCADLP COC(=O)CC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591447829 347663729 /nfs/dbraw/zinc/66/37/29/347663729.db2.gz AKIJJBBEHSZBDU-VHSXEESVSA-N 2 2 212.293 0.233 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591430246 347655348 /nfs/dbraw/zinc/65/53/48/347655348.db2.gz QQHOLZBZTLCDAV-GHMZBOCLSA-N 2 2 236.319 0.340 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591430246 347655350 /nfs/dbraw/zinc/65/53/50/347655350.db2.gz QQHOLZBZTLCDAV-GHMZBOCLSA-N 2 2 236.319 0.340 20 0 BCADLP O=C(CC[NH2+]C1CC1)NCCNc1cccc[nH+]1 ZINC000577411033 365949840 /nfs/dbraw/zinc/94/98/40/365949840.db2.gz HDLNWKLDJIIYHZ-UHFFFAOYSA-N 2 2 248.330 0.752 20 0 BCADLP CC[NH+]1CCN(Cc2c[nH+]cn2C)CC1 ZINC000176980246 365952075 /nfs/dbraw/zinc/95/20/75/365952075.db2.gz QCKWCWLMTOVDRV-UHFFFAOYSA-N 2 2 208.309 0.558 20 0 BCADLP Cc1cccn2cc(CNC(=O)C(C)(C)[NH3+])[nH+]c12 ZINC000083909179 179355935 /nfs/dbraw/zinc/35/59/35/179355935.db2.gz HQMUYLJMMKXBJT-UHFFFAOYSA-N 2 2 246.314 0.996 20 0 BCADLP Cc1cccn2cc(CNC(=O)C[NH3+])[nH+]c12 ZINC000083909174 179356608 /nfs/dbraw/zinc/35/66/08/179356608.db2.gz SGRHKAXFINFTKQ-UHFFFAOYSA-N 2 2 218.260 0.218 20 0 BCADLP Cc1cccn2cc(CC(=O)NCC[NH3+])[nH+]c12 ZINC000031946273 179357440 /nfs/dbraw/zinc/35/74/40/179357440.db2.gz VDEFWLBJVLOHLX-UHFFFAOYSA-N 2 2 232.287 0.260 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000594918195 348153491 /nfs/dbraw/zinc/15/34/91/348153491.db2.gz PMRGTNSACZUVBQ-DDHJBXDOSA-N 2 2 240.347 0.868 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000594918195 348153494 /nfs/dbraw/zinc/15/34/94/348153494.db2.gz PMRGTNSACZUVBQ-DDHJBXDOSA-N 2 2 240.347 0.868 20 0 BCADLP CS[C@@H](CO)[C@@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000594921157 348155025 /nfs/dbraw/zinc/15/50/25/348155025.db2.gz JDKUJIDVYMXCRP-KCJUWKMLSA-N 2 2 243.376 0.931 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251631332 362893424 /nfs/dbraw/zinc/89/34/24/362893424.db2.gz FKXNPRZRHVGOSK-HRDYMLBCSA-N 2 2 200.282 0.217 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251631332 362893428 /nfs/dbraw/zinc/89/34/28/362893428.db2.gz FKXNPRZRHVGOSK-HRDYMLBCSA-N 2 2 200.282 0.217 20 0 BCADLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000309098974 349985634 /nfs/dbraw/zinc/98/56/34/349985634.db2.gz DXPWKKWDBQCOMM-VXNVDRBHSA-N 2 2 208.265 0.024 20 0 BCADLP COC[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000053389521 348393535 /nfs/dbraw/zinc/39/35/35/348393535.db2.gz RSXYPMZQFCFUPV-MNOVXSKESA-N 2 2 200.326 0.953 20 0 BCADLP COC[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000053389521 348393539 /nfs/dbraw/zinc/39/35/39/348393539.db2.gz RSXYPMZQFCFUPV-MNOVXSKESA-N 2 2 200.326 0.953 20 0 BCADLP CC(C)OC(=O)CC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000595903516 348395128 /nfs/dbraw/zinc/39/51/28/348395128.db2.gz KZKZUMWJZKNVBV-UHFFFAOYSA-N 2 2 226.320 0.751 20 0 BCADLP CC(C)OC(=O)CC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000595903516 348395131 /nfs/dbraw/zinc/39/51/31/348395131.db2.gz KZKZUMWJZKNVBV-UHFFFAOYSA-N 2 2 226.320 0.751 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCC[C@@]1(COC)C(=O)OC ZINC000595905550 348396430 /nfs/dbraw/zinc/39/64/30/348396430.db2.gz VEJNUYBCNOKAEX-GFCCVEGCSA-N 2 2 244.335 0.250 20 0 BCADLP C[NH2+]CCC[N@H+]1CCC[C@@]1(COC)C(=O)OC ZINC000595905550 348396434 /nfs/dbraw/zinc/39/64/34/348396434.db2.gz VEJNUYBCNOKAEX-GFCCVEGCSA-N 2 2 244.335 0.250 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CSC)C1 ZINC000596065497 348436295 /nfs/dbraw/zinc/43/62/95/348436295.db2.gz JFOZPERELFCPLU-WDEREUQCSA-N 2 2 232.393 0.784 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CSC)C1 ZINC000596065497 348436296 /nfs/dbraw/zinc/43/62/96/348436296.db2.gz JFOZPERELFCPLU-WDEREUQCSA-N 2 2 232.393 0.784 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CSC)C1 ZINC000596065496 348436308 /nfs/dbraw/zinc/43/63/08/348436308.db2.gz JFOZPERELFCPLU-QWRGUYRKSA-N 2 2 232.393 0.784 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CSC)C1 ZINC000596065496 348436309 /nfs/dbraw/zinc/43/63/09/348436309.db2.gz JFOZPERELFCPLU-QWRGUYRKSA-N 2 2 232.393 0.784 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000596107082 348441172 /nfs/dbraw/zinc/44/11/72/348441172.db2.gz PWMYGVNYYWDYSY-MRVPVSSYSA-N 2 2 225.292 0.499 20 0 BCADLP COC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536066824 323195641 /nfs/dbraw/zinc/19/56/41/323195641.db2.gz JXFWSDYMAYVZDU-SECBINFHSA-N 2 2 223.276 0.382 20 0 BCADLP COC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536066824 323195642 /nfs/dbraw/zinc/19/56/42/323195642.db2.gz JXFWSDYMAYVZDU-SECBINFHSA-N 2 2 223.276 0.382 20 0 BCADLP C[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000308827418 348760239 /nfs/dbraw/zinc/76/02/39/348760239.db2.gz IIPRVVYEXZGOMU-UHFFFAOYSA-N 2 2 214.309 0.623 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCS[C@H](C)C1 ZINC000308861835 348908980 /nfs/dbraw/zinc/90/89/80/348908980.db2.gz PNLVVQCXAQJSTO-GHMZBOCLSA-N 2 2 232.393 0.736 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCS[C@H](C)C1 ZINC000308861835 348908983 /nfs/dbraw/zinc/90/89/83/348908983.db2.gz PNLVVQCXAQJSTO-GHMZBOCLSA-N 2 2 232.393 0.736 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCS[C@H](C)C1 ZINC000308861835 348908986 /nfs/dbraw/zinc/90/89/86/348908986.db2.gz PNLVVQCXAQJSTO-GHMZBOCLSA-N 2 2 232.393 0.736 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCS[C@H](C)C1 ZINC000308861835 348908988 /nfs/dbraw/zinc/90/89/88/348908988.db2.gz PNLVVQCXAQJSTO-GHMZBOCLSA-N 2 2 232.393 0.736 20 0 BCADLP CCOC(=O)CC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598684738 349015868 /nfs/dbraw/zinc/01/58/68/349015868.db2.gz YEFDDBDGAKFQJC-ZYHUDNBSSA-N 2 2 226.320 0.753 20 0 BCADLP CCOC(=O)CC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598684738 349015872 /nfs/dbraw/zinc/01/58/72/349015872.db2.gz YEFDDBDGAKFQJC-ZYHUDNBSSA-N 2 2 226.320 0.753 20 0 BCADLP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000598993795 349072837 /nfs/dbraw/zinc/07/28/37/349072837.db2.gz PMRGTNSACZUVBQ-WHOHXGKFSA-N 2 2 240.347 0.868 20 0 BCADLP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000598993795 349072839 /nfs/dbraw/zinc/07/28/39/349072839.db2.gz PMRGTNSACZUVBQ-WHOHXGKFSA-N 2 2 240.347 0.868 20 0 BCADLP CC[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000251791035 349191234 /nfs/dbraw/zinc/19/12/34/349191234.db2.gz JURYBWYOUHFJQX-NXEZZACHSA-N 2 2 213.325 0.134 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000252681740 349210005 /nfs/dbraw/zinc/21/00/05/349210005.db2.gz AVXNBPXTNAMXEB-MNOVXSKESA-N 2 2 227.352 0.666 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000252681740 349210008 /nfs/dbraw/zinc/21/00/08/349210008.db2.gz AVXNBPXTNAMXEB-MNOVXSKESA-N 2 2 227.352 0.666 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+]C2CCCCC2)C1 ZINC000308959597 349202803 /nfs/dbraw/zinc/20/28/03/349202803.db2.gz YPKLOEIBLQYSCQ-LBPRGKRZSA-N 2 2 212.337 0.975 20 0 BCADLP O[C@H]1CC[N@@H+](CC[NH2+]C2CCCCC2)C1 ZINC000308959597 349202804 /nfs/dbraw/zinc/20/28/04/349202804.db2.gz YPKLOEIBLQYSCQ-LBPRGKRZSA-N 2 2 212.337 0.975 20 0 BCADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCNC(=O)C2)CC1 ZINC000397914193 362946996 /nfs/dbraw/zinc/94/69/96/362946996.db2.gz CROKKXLKNJEKPB-SNVBAGLBSA-N 2 2 225.336 0.339 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C(=O)OC)C1 ZINC000070800202 350059685 /nfs/dbraw/zinc/05/96/85/350059685.db2.gz MVPKXTDAEKYNPT-DTWKUNHWSA-N 2 2 200.282 0.089 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(=O)OC)C1 ZINC000070800202 350059688 /nfs/dbraw/zinc/05/96/88/350059688.db2.gz MVPKXTDAEKYNPT-DTWKUNHWSA-N 2 2 200.282 0.089 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)CC[NH2+]C1CC1 ZINC000070854930 350068922 /nfs/dbraw/zinc/06/89/22/350068922.db2.gz CZCLSDNOKRVJAT-UHFFFAOYSA-N 2 2 222.292 0.178 20 0 BCADLP CCn1cc[nH+]c1CN(C)[C@H]1CC[NH2+]C1 ZINC000070896140 350071231 /nfs/dbraw/zinc/07/12/31/350071231.db2.gz NEZGLYNTDMTJHG-JTQLQIEISA-N 2 2 208.309 0.697 20 0 BCADLP Cc1cc(C[N@H+](C)CCN2CC[NH2+]CC2)no1 ZINC000071150659 350089471 /nfs/dbraw/zinc/08/94/71/350089471.db2.gz OEOMKCNDRAYOAW-UHFFFAOYSA-N 2 2 238.335 0.320 20 0 BCADLP Cc1cc(C[N@@H+](C)CCN2CC[NH2+]CC2)no1 ZINC000071150659 350089476 /nfs/dbraw/zinc/08/94/76/350089476.db2.gz OEOMKCNDRAYOAW-UHFFFAOYSA-N 2 2 238.335 0.320 20 0 BCADLP CC(C)(C)[C@H]([NH2+]CCn1cc[nH+]c1)C(N)=O ZINC000132025715 191023299 /nfs/dbraw/zinc/02/32/99/191023299.db2.gz ALZIJFYUMLBKOL-SECBINFHSA-N 2 2 224.308 0.373 20 0 BCADLP Cc1nc2n(n1)CC[N@H+](CCn1cc[nH+]c1C)C2 ZINC000328676175 180112847 /nfs/dbraw/zinc/11/28/47/180112847.db2.gz RKVRRDOIBYPMOK-UHFFFAOYSA-N 2 2 246.318 0.607 20 0 BCADLP Cc1nc2n(n1)CC[N@@H+](CCn1cc[nH+]c1C)C2 ZINC000328676175 180112849 /nfs/dbraw/zinc/11/28/49/180112849.db2.gz RKVRRDOIBYPMOK-UHFFFAOYSA-N 2 2 246.318 0.607 20 0 BCADLP Cn1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000304506501 350161084 /nfs/dbraw/zinc/16/10/84/350161084.db2.gz JAOSVUFCBUEJAM-GFCCVEGCSA-N 2 2 220.320 0.606 20 0 BCADLP Cn1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000304506501 350161085 /nfs/dbraw/zinc/16/10/85/350161085.db2.gz JAOSVUFCBUEJAM-GFCCVEGCSA-N 2 2 220.320 0.606 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](O)C1 ZINC000313986198 350166831 /nfs/dbraw/zinc/16/68/31/350166831.db2.gz JSZSQAJOJNPXNE-LLVKDONJSA-N 2 2 209.293 0.419 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](O)C1 ZINC000313986198 350166835 /nfs/dbraw/zinc/16/68/35/350166835.db2.gz JSZSQAJOJNPXNE-LLVKDONJSA-N 2 2 209.293 0.419 20 0 BCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C[NH3+] ZINC000237759573 180103721 /nfs/dbraw/zinc/10/37/21/180103721.db2.gz CPBOKGFALXMHJI-UHFFFAOYSA-N 2 2 246.314 0.810 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000362856253 180120158 /nfs/dbraw/zinc/12/01/58/180120158.db2.gz QOADADJVNLYKCE-SCZZXKLOSA-N 2 2 236.319 0.532 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000362856253 180120162 /nfs/dbraw/zinc/12/01/62/180120162.db2.gz QOADADJVNLYKCE-SCZZXKLOSA-N 2 2 236.319 0.532 20 0 BCADLP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cn1 ZINC000309608903 180152672 /nfs/dbraw/zinc/15/26/72/180152672.db2.gz ZKMKODJJONMEIY-LBPRGKRZSA-N 2 2 220.320 0.969 20 0 BCADLP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cn1 ZINC000309608903 180152677 /nfs/dbraw/zinc/15/26/77/180152677.db2.gz ZKMKODJJONMEIY-LBPRGKRZSA-N 2 2 220.320 0.969 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000427508681 191079003 /nfs/dbraw/zinc/07/90/03/191079003.db2.gz DPPOKKJQZDDNKM-JQWIXIFHSA-N 2 2 248.330 0.423 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000427508681 191079005 /nfs/dbraw/zinc/07/90/05/191079005.db2.gz DPPOKKJQZDDNKM-JQWIXIFHSA-N 2 2 248.330 0.423 20 0 BCADLP CCC[N@H+](CC)C[C@@H](O)C[NH+](C)CCOC ZINC000309225262 350212679 /nfs/dbraw/zinc/21/26/79/350212679.db2.gz HLEBVDTVBGJNDA-LBPRGKRZSA-N 2 2 232.368 0.657 20 0 BCADLP CCC[N@@H+](CC)C[C@@H](O)C[NH+](C)CCOC ZINC000309225262 350212681 /nfs/dbraw/zinc/21/26/81/350212681.db2.gz HLEBVDTVBGJNDA-LBPRGKRZSA-N 2 2 232.368 0.657 20 0 BCADLP CCC[NH+](CC)C[C@@H](O)C[N@H+](C)CCOC ZINC000309225262 350212682 /nfs/dbraw/zinc/21/26/82/350212682.db2.gz HLEBVDTVBGJNDA-LBPRGKRZSA-N 2 2 232.368 0.657 20 0 BCADLP CCC[NH+](CC)C[C@@H](O)C[N@@H+](C)CCOC ZINC000309225262 350212684 /nfs/dbraw/zinc/21/26/84/350212684.db2.gz HLEBVDTVBGJNDA-LBPRGKRZSA-N 2 2 232.368 0.657 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCNC(=O)CC1 ZINC000269952511 180239472 /nfs/dbraw/zinc/23/94/72/180239472.db2.gz VQPNRMGQOBAFOS-UHFFFAOYSA-N 2 2 236.319 0.404 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+]1CCNC(=O)CC1 ZINC000269952511 180239474 /nfs/dbraw/zinc/23/94/74/180239474.db2.gz VQPNRMGQOBAFOS-UHFFFAOYSA-N 2 2 236.319 0.404 20 0 BCADLP Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@@H](C)[NH3+] ZINC000037765510 180230928 /nfs/dbraw/zinc/23/09/28/180230928.db2.gz RNNVDMBQFVGIJB-MRVPVSSYSA-N 2 2 245.286 0.861 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](O)C1 ZINC000050103564 180250045 /nfs/dbraw/zinc/25/00/45/180250045.db2.gz SCXYXPOKETVFQT-LLVKDONJSA-N 2 2 209.293 0.648 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](O)C1 ZINC000050103564 180250047 /nfs/dbraw/zinc/25/00/47/180250047.db2.gz SCXYXPOKETVFQT-LLVKDONJSA-N 2 2 209.293 0.648 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+]C1CC[NH+](C)CC1 ZINC000049330066 180260422 /nfs/dbraw/zinc/26/04/22/180260422.db2.gz HMKJTZLIMDRCHL-UHFFFAOYSA-N 3 2 222.336 0.875 20 0 BCADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000331317372 180282205 /nfs/dbraw/zinc/28/22/05/180282205.db2.gz GDWDZBFJXHAIMD-GHMZBOCLSA-N 2 2 238.335 0.358 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000133218798 191104906 /nfs/dbraw/zinc/10/49/06/191104906.db2.gz ULHLTFJSWGJPCO-VXGBXAGGSA-N 2 2 230.352 0.579 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000133218798 191104909 /nfs/dbraw/zinc/10/49/09/191104909.db2.gz ULHLTFJSWGJPCO-VXGBXAGGSA-N 2 2 230.352 0.579 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000300359947 490557956 /nfs/dbraw/zinc/55/79/56/490557956.db2.gz SJRDWOYUKJAOMQ-OUAUKWLOSA-N 2 2 212.337 0.830 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000300359947 490557961 /nfs/dbraw/zinc/55/79/61/490557961.db2.gz SJRDWOYUKJAOMQ-OUAUKWLOSA-N 2 2 212.337 0.830 20 0 BCADLP CC[C@@H](C(N)=O)[NH+]1CCC([NH+](C)C)CC1 ZINC000061679061 350524861 /nfs/dbraw/zinc/52/48/61/350524861.db2.gz SCXQWGUBTLSQRC-JTQLQIEISA-N 2 2 213.325 0.276 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000070583824 350543515 /nfs/dbraw/zinc/54/35/15/350543515.db2.gz PEULEHKYDSBXMI-GHMZBOCLSA-N 2 2 225.336 0.149 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000070583824 350543518 /nfs/dbraw/zinc/54/35/18/350543518.db2.gz PEULEHKYDSBXMI-GHMZBOCLSA-N 2 2 225.336 0.149 20 0 BCADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ncnn2C)CC1 ZINC000353305268 350837278 /nfs/dbraw/zinc/83/72/78/350837278.db2.gz MPPXQPSHDKIWJO-JTQLQIEISA-N 2 2 237.351 0.950 20 0 BCADLP Cc1cc(C[NH2+]CCc2c[nH+]cn2C)nn1C ZINC000623086138 350843662 /nfs/dbraw/zinc/84/36/62/350843662.db2.gz ZQIUFLXOPDABQU-UHFFFAOYSA-N 2 2 233.319 0.794 20 0 BCADLP C[C@H]([NH3+])C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000571088215 350861031 /nfs/dbraw/zinc/86/10/31/350861031.db2.gz QYIOOIYEPLKNCL-JTQLQIEISA-N 2 2 227.352 0.524 20 0 BCADLP C[C@]1(C(=O)NCCCn2cc[nH+]c2)CCC[NH2+]1 ZINC000079511543 351067696 /nfs/dbraw/zinc/06/76/96/351067696.db2.gz DYIXJYLAEOLFLO-GFCCVEGCSA-N 2 2 236.319 0.532 20 0 BCADLP C[C@@H]([NH2+]C1CC1)C(=O)NCCn1cc[nH+]c1 ZINC000382937760 351074566 /nfs/dbraw/zinc/07/45/66/351074566.db2.gz HRTGPPONIJRWOU-SECBINFHSA-N 2 2 222.292 0.140 20 0 BCADLP Cc1nn(C)cc1C[NH2+]C1CC([NH+](C)C)C1 ZINC000577625620 366024038 /nfs/dbraw/zinc/02/40/38/366024038.db2.gz NVCFOCNVWSIWBH-UHFFFAOYSA-N 2 2 222.336 0.911 20 0 BCADLP CCC[C@H]([NH3+])C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000036999443 358465774 /nfs/dbraw/zinc/46/57/74/358465774.db2.gz DXILIYGNMSSOHU-UWVGGRQHSA-N 2 2 224.308 0.515 20 0 BCADLP CCc1c[nH]c(CC(=O)NC(C)(C)C[NH3+])[nH+]1 ZINC000637831370 351684836 /nfs/dbraw/zinc/68/48/36/351684836.db2.gz XCVWUQOQGGCSOQ-UHFFFAOYSA-N 2 2 224.308 0.368 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH3+])CC(C)C ZINC000637844402 351699727 /nfs/dbraw/zinc/69/97/27/351699727.db2.gz NGDOVECNFPOPMN-JTQLQIEISA-N 2 2 238.335 0.750 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H](C[NH3+])CC(C)C ZINC000637844402 351699732 /nfs/dbraw/zinc/69/97/32/351699732.db2.gz NGDOVECNFPOPMN-JTQLQIEISA-N 2 2 238.335 0.750 20 0 BCADLP CCc1c[nH]c(CC(=O)NC[C@@H]([NH3+])C(C)C)[nH+]1 ZINC000637848121 351708134 /nfs/dbraw/zinc/70/81/34/351708134.db2.gz GZNFMQUDVPAEDY-SNVBAGLBSA-N 2 2 238.335 0.614 20 0 BCADLP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000637848857 351705831 /nfs/dbraw/zinc/70/58/31/351705831.db2.gz LEGGJFVVRNBQDB-OPRDCNLKSA-N 2 2 236.319 0.613 20 0 BCADLP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000637848857 351705837 /nfs/dbraw/zinc/70/58/37/351705837.db2.gz LEGGJFVVRNBQDB-OPRDCNLKSA-N 2 2 236.319 0.613 20 0 BCADLP O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000637828354 351675025 /nfs/dbraw/zinc/67/50/25/351675025.db2.gz ZBRMDDGAOCKYEJ-OPRDCNLKSA-N 2 2 234.303 0.381 20 0 BCADLP O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000637828354 351675029 /nfs/dbraw/zinc/67/50/29/351675029.db2.gz ZBRMDDGAOCKYEJ-OPRDCNLKSA-N 2 2 234.303 0.381 20 0 BCADLP CC(C)([NH3+])CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000637857809 351718480 /nfs/dbraw/zinc/71/84/80/351718480.db2.gz PVTHRMDPAPCHCW-HTQZYQBOSA-N 2 2 222.292 0.367 20 0 BCADLP CC(C)([NH3+])CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000637857809 351718482 /nfs/dbraw/zinc/71/84/82/351718482.db2.gz PVTHRMDPAPCHCW-HTQZYQBOSA-N 2 2 222.292 0.367 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CCC2(C1)OCCO2 ZINC000307253017 351783324 /nfs/dbraw/zinc/78/33/24/351783324.db2.gz UIKQPQGFONEUTP-UHFFFAOYSA-N 2 2 200.282 0.173 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CCC2(C1)OCCO2 ZINC000307253017 351783328 /nfs/dbraw/zinc/78/33/28/351783328.db2.gz UIKQPQGFONEUTP-UHFFFAOYSA-N 2 2 200.282 0.173 20 0 BCADLP [NH3+][C@@H]1CC=C(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000638076045 351949006 /nfs/dbraw/zinc/94/90/06/351949006.db2.gz NKGYEJGKOGYRPC-GFCCVEGCSA-N 2 2 248.330 0.827 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638097824 351978439 /nfs/dbraw/zinc/97/84/39/351978439.db2.gz HDPVGWBMVQKBDL-JTQLQIEISA-N 2 2 217.272 0.798 20 0 BCADLP CC[NH2+][C@@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000638129683 351999392 /nfs/dbraw/zinc/99/93/92/351999392.db2.gz BIUYKDMEROOUMF-QMMMGPOBSA-N 2 2 210.281 0.332 20 0 BCADLP CCc1c[nH]c(CC(=O)NCC(F)(F)C[NH3+])[nH+]1 ZINC000638174126 352036897 /nfs/dbraw/zinc/03/68/97/352036897.db2.gz JXIUOQWDAYCTPC-UHFFFAOYSA-N 2 2 246.261 0.225 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000638172200 352039505 /nfs/dbraw/zinc/03/95/05/352039505.db2.gz TZRHRKMZNUWVMR-ZDUSSCGKSA-N 2 2 248.330 0.473 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ncnn2C)C1 ZINC000083970075 352118874 /nfs/dbraw/zinc/11/88/74/352118874.db2.gz RCXLZYDNUFDCBQ-NXEZZACHSA-N 2 2 223.324 0.374 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ncnn2C)C1 ZINC000083970075 352118877 /nfs/dbraw/zinc/11/88/77/352118877.db2.gz RCXLZYDNUFDCBQ-NXEZZACHSA-N 2 2 223.324 0.374 20 0 BCADLP CO[C@H](C[NH2+]CCn1cc[nH+]c1)[C@H]1CCOC1 ZINC000638297746 352129959 /nfs/dbraw/zinc/12/99/59/352129959.db2.gz KAIBJVGALRHBGB-NWDGAFQWSA-N 2 2 239.319 0.524 20 0 BCADLP CC[C@H]([NH3+])CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638257414 352100497 /nfs/dbraw/zinc/10/04/97/352100497.db2.gz VTWFFDULRABXNQ-DJLDLDEBSA-N 2 2 222.292 0.367 20 0 BCADLP CC[C@H]([NH3+])CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638257414 352100499 /nfs/dbraw/zinc/10/04/99/352100499.db2.gz VTWFFDULRABXNQ-DJLDLDEBSA-N 2 2 222.292 0.367 20 0 BCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@]1(OC)CCOC1 ZINC000638281667 352116020 /nfs/dbraw/zinc/11/60/20/352116020.db2.gz VIBSLEHUGDVHQT-OLZOCXBDSA-N 2 2 242.363 0.866 20 0 BCADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@]1(OC)CCOC1 ZINC000638281667 352116021 /nfs/dbraw/zinc/11/60/21/352116021.db2.gz VIBSLEHUGDVHQT-OLZOCXBDSA-N 2 2 242.363 0.866 20 0 BCADLP Cc1cn2ccc(C(=O)N(C)CC[NH3+])cc2[nH+]1 ZINC000638344933 352163612 /nfs/dbraw/zinc/16/36/12/352163612.db2.gz VGKNSRVBGQOWAG-UHFFFAOYSA-N 2 2 232.287 0.673 20 0 BCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638369823 352180053 /nfs/dbraw/zinc/18/00/53/352180053.db2.gz VAQJDOXBABEKEA-ZYUZMQFOSA-N 2 2 236.319 0.755 20 0 BCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638369823 352180056 /nfs/dbraw/zinc/18/00/56/352180056.db2.gz VAQJDOXBABEKEA-ZYUZMQFOSA-N 2 2 236.319 0.755 20 0 BCADLP C[C@@H](NC(=O)C1=CC[C@@H]([NH3+])C1)c1[nH+]ccn1C ZINC000638431395 352239552 /nfs/dbraw/zinc/23/95/52/352239552.db2.gz UBCAGXQKOOHEMV-PSASIEDQSA-N 2 2 234.303 0.645 20 0 BCADLP C[C@H](C[NH2+]Cc1ncnn1C)Cn1cc[nH+]c1 ZINC000638438282 352245557 /nfs/dbraw/zinc/24/55/57/352245557.db2.gz UCRKHKBCLYDMEV-SNVBAGLBSA-N 2 2 234.307 0.438 20 0 BCADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)c2[nH+]ccn21 ZINC000627053106 363172318 /nfs/dbraw/zinc/17/23/18/363172318.db2.gz XOFFKFCZSAMEGB-BBBLOLIVSA-N 2 2 249.318 0.550 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H]2CC[NH2+]C23CCC3)c[nH+]1 ZINC000638510231 352333311 /nfs/dbraw/zinc/33/33/11/352333311.db2.gz VWJHKRZMKYYZFP-JTQLQIEISA-N 2 2 234.303 0.733 20 0 BCADLP CCN(CC[NH3+])C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638517179 352346461 /nfs/dbraw/zinc/34/64/61/352346461.db2.gz QVXQLEOWUPTCDV-RKDXNWHRSA-N 2 2 222.292 0.320 20 0 BCADLP CCN(CC[NH3+])C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638517179 352346464 /nfs/dbraw/zinc/34/64/64/352346464.db2.gz QVXQLEOWUPTCDV-RKDXNWHRSA-N 2 2 222.292 0.320 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638596354 352426139 /nfs/dbraw/zinc/42/61/39/352426139.db2.gz JXMIBEUZVOYYLJ-XJFOESAGSA-N 2 2 237.391 0.868 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638596354 352426143 /nfs/dbraw/zinc/42/61/43/352426143.db2.gz JXMIBEUZVOYYLJ-XJFOESAGSA-N 2 2 237.391 0.868 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638574444 352404692 /nfs/dbraw/zinc/40/46/92/352404692.db2.gz SMWVVVYQIYZAHL-CHWFTXMASA-N 2 2 248.330 0.770 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638574444 352404697 /nfs/dbraw/zinc/40/46/97/352404697.db2.gz SMWVVVYQIYZAHL-CHWFTXMASA-N 2 2 248.330 0.770 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cn(C)nn2)[C@@H](C)C1 ZINC000607957051 352468340 /nfs/dbraw/zinc/46/83/40/352468340.db2.gz VQQNIKKBWKLNIW-JQWIXIFHSA-N 2 2 237.351 0.635 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cn(C)nn2)[C@@H](C)C1 ZINC000607957051 352468342 /nfs/dbraw/zinc/46/83/42/352468342.db2.gz VQQNIKKBWKLNIW-JQWIXIFHSA-N 2 2 237.351 0.635 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638641694 352484659 /nfs/dbraw/zinc/48/46/59/352484659.db2.gz TYSIWRQOXKVSFK-WCBMZHEXSA-N 2 2 236.319 0.517 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638641694 352484662 /nfs/dbraw/zinc/48/46/62/352484662.db2.gz TYSIWRQOXKVSFK-WCBMZHEXSA-N 2 2 236.319 0.517 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000042166335 352614480 /nfs/dbraw/zinc/61/44/80/352614480.db2.gz LIWGUIOQNJQFNW-GHMZBOCLSA-N 2 2 236.319 0.530 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)C[NH3+] ZINC000044752079 352656167 /nfs/dbraw/zinc/65/61/67/352656167.db2.gz IFQZUNGTYVHMTK-SECBINFHSA-N 2 2 224.308 0.373 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)C[NH3+] ZINC000044752077 352656260 /nfs/dbraw/zinc/65/62/60/352656260.db2.gz IFQZUNGTYVHMTK-VIFPVBQESA-N 2 2 224.308 0.373 20 0 BCADLP CC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334198803 352791724 /nfs/dbraw/zinc/79/17/24/352791724.db2.gz OSMWEBOGMSBBSV-LLVKDONJSA-N 2 2 239.363 0.633 20 0 BCADLP CC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334198803 352791726 /nfs/dbraw/zinc/79/17/26/352791726.db2.gz OSMWEBOGMSBBSV-LLVKDONJSA-N 2 2 239.363 0.633 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000334251473 352887896 /nfs/dbraw/zinc/88/78/96/352887896.db2.gz IKRCRCUWHICFQA-NEPJUHHUSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000334251473 352887898 /nfs/dbraw/zinc/88/78/98/352887898.db2.gz IKRCRCUWHICFQA-NEPJUHHUSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000334251475 352887927 /nfs/dbraw/zinc/88/79/27/352887927.db2.gz IKRCRCUWHICFQA-NWDGAFQWSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000334251475 352887928 /nfs/dbraw/zinc/88/79/28/352887928.db2.gz IKRCRCUWHICFQA-NWDGAFQWSA-N 2 2 234.347 0.946 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCCC12CC2 ZINC000638834130 353007947 /nfs/dbraw/zinc/00/79/47/353007947.db2.gz LZSNTZLILDHWDL-GHMZBOCLSA-N 2 2 239.363 0.714 20 0 BCADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000638871817 353042836 /nfs/dbraw/zinc/04/28/36/353042836.db2.gz NYJDRDQNAKUHLH-NWDGAFQWSA-N 2 2 239.363 0.587 20 0 BCADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000638871817 353042839 /nfs/dbraw/zinc/04/28/39/353042839.db2.gz NYJDRDQNAKUHLH-NWDGAFQWSA-N 2 2 239.363 0.587 20 0 BCADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000638871816 353042899 /nfs/dbraw/zinc/04/28/99/353042899.db2.gz NYJDRDQNAKUHLH-NEPJUHHUSA-N 2 2 239.363 0.587 20 0 BCADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000638871816 353042901 /nfs/dbraw/zinc/04/29/01/353042901.db2.gz NYJDRDQNAKUHLH-NEPJUHHUSA-N 2 2 239.363 0.587 20 0 BCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638918283 353082575 /nfs/dbraw/zinc/08/25/75/353082575.db2.gz OQGKXCWZEMPVRG-DCAQKATOSA-N 2 2 246.314 0.018 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)CCn1cc[nH+]c1 ZINC000638933388 353095651 /nfs/dbraw/zinc/09/56/51/353095651.db2.gz BYQGLYNYIQPKLI-UWVGGRQHSA-N 2 2 222.292 0.221 20 0 BCADLP C(C[NH+]1CCOCC1)N1CC[NH+](C2CC2)CC1 ZINC000336675654 188011598 /nfs/dbraw/zinc/01/15/98/188011598.db2.gz AGIFDXWVNDLJSE-UHFFFAOYSA-N 2 2 239.363 0.099 20 0 BCADLP CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCC[N@H+](C)C1 ZINC000276639395 188028773 /nfs/dbraw/zinc/02/87/73/188028773.db2.gz UVJHTUPRUJUCHX-BTDICHCPSA-N 2 2 248.330 0.976 20 0 BCADLP CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCC[N@@H+](C)C1 ZINC000276639395 188028775 /nfs/dbraw/zinc/02/87/75/188028775.db2.gz UVJHTUPRUJUCHX-BTDICHCPSA-N 2 2 248.330 0.976 20 0 BCADLP CC(C)CNC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000163088746 188048553 /nfs/dbraw/zinc/04/85/53/188048553.db2.gz OAOHIKDCBQIOKE-UHFFFAOYSA-N 2 2 213.325 0.180 20 0 BCADLP CC(C)CNC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000163088746 188048556 /nfs/dbraw/zinc/04/85/56/188048556.db2.gz OAOHIKDCBQIOKE-UHFFFAOYSA-N 2 2 213.325 0.180 20 0 BCADLP CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000333249991 188054100 /nfs/dbraw/zinc/05/41/00/188054100.db2.gz GPAWFUFXIFLRGD-CKYFFXLPSA-N 2 2 239.363 0.631 20 0 BCADLP CCCC[C@@H]([NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000037619391 358475129 /nfs/dbraw/zinc/47/51/29/358475129.db2.gz PYENNXVIAFAGJE-LLVKDONJSA-N 2 2 238.335 0.907 20 0 BCADLP [NH3+]C1(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000353762962 353235554 /nfs/dbraw/zinc/23/55/54/353235554.db2.gz ZDEQGUVJXQSWNO-SNVBAGLBSA-N 2 2 246.314 0.268 20 0 BCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1nccn1C ZINC000252894343 353312978 /nfs/dbraw/zinc/31/29/78/353312978.db2.gz UXWHPXDHVDSRNQ-GHMZBOCLSA-N 2 2 222.336 0.850 20 0 BCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1nccn1C ZINC000252894343 353312981 /nfs/dbraw/zinc/31/29/81/353312981.db2.gz UXWHPXDHVDSRNQ-GHMZBOCLSA-N 2 2 222.336 0.850 20 0 BCADLP Cn1c[nH+]cc1C[NH+]1CCC2(CC1)OCCO2 ZINC000093436714 188319322 /nfs/dbraw/zinc/31/93/22/188319322.db2.gz GSYRORZKKADLON-UHFFFAOYSA-N 2 2 237.303 0.759 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000639053626 353355733 /nfs/dbraw/zinc/35/57/33/353355733.db2.gz KOXYFRDMVCCBJU-UWVGGRQHSA-N 2 2 236.306 0.934 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000639053626 353355735 /nfs/dbraw/zinc/35/57/35/353355735.db2.gz KOXYFRDMVCCBJU-UWVGGRQHSA-N 2 2 236.306 0.934 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000639053627 353355942 /nfs/dbraw/zinc/35/59/42/353355942.db2.gz KOXYFRDMVCCBJU-VHSXEESVSA-N 2 2 236.306 0.934 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000639053627 353355944 /nfs/dbraw/zinc/35/59/44/353355944.db2.gz KOXYFRDMVCCBJU-VHSXEESVSA-N 2 2 236.306 0.934 20 0 BCADLP Cn1cncc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000085282034 538115978 /nfs/dbraw/zinc/11/59/78/538115978.db2.gz SNDVSAPUDAHQLG-NXEZZACHSA-N 2 2 206.293 0.071 20 0 BCADLP Cn1c[nH+]cc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000085282034 538115979 /nfs/dbraw/zinc/11/59/79/538115979.db2.gz SNDVSAPUDAHQLG-NXEZZACHSA-N 2 2 206.293 0.071 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]C[C@](C)(OC)C1CC1 ZINC000639053201 353353704 /nfs/dbraw/zinc/35/37/04/353353704.db2.gz HDMDNIUVENBXDK-ZDUSSCGKSA-N 2 2 244.379 0.705 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]C[C@](C)(OC)C1CC1 ZINC000639053201 353353705 /nfs/dbraw/zinc/35/37/05/353353705.db2.gz HDMDNIUVENBXDK-ZDUSSCGKSA-N 2 2 244.379 0.705 20 0 BCADLP C[NH+]1CCC([NH2+][C@@H](CO)CC(F)(F)F)CC1 ZINC000309489357 188344803 /nfs/dbraw/zinc/34/48/03/188344803.db2.gz WOOQNBHPOAWGHR-SECBINFHSA-N 2 2 240.269 0.984 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000230013732 353420718 /nfs/dbraw/zinc/42/07/18/353420718.db2.gz AUOVCFNJNRUITC-CMPLNLGQSA-N 2 2 239.319 0.273 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000230013732 353420721 /nfs/dbraw/zinc/42/07/21/353420721.db2.gz AUOVCFNJNRUITC-CMPLNLGQSA-N 2 2 239.319 0.273 20 0 BCADLP CCC(CC)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000514783633 324112685 /nfs/dbraw/zinc/11/26/85/324112685.db2.gz LNWXHDYMIUTAAF-NSHDSACASA-N 2 2 242.367 0.459 20 0 BCADLP CCCNC(=O)CC[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000343424264 353881348 /nfs/dbraw/zinc/88/13/48/353881348.db2.gz AIEUCWXEJPXJHL-NWDGAFQWSA-N 2 2 241.379 0.833 20 0 BCADLP CCCNC(=O)CC[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000343424264 353881351 /nfs/dbraw/zinc/88/13/51/353881351.db2.gz AIEUCWXEJPXJHL-NWDGAFQWSA-N 2 2 241.379 0.833 20 0 BCADLP CCCNC(=O)CC[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000343424266 353881396 /nfs/dbraw/zinc/88/13/96/353881396.db2.gz AIEUCWXEJPXJHL-VXGBXAGGSA-N 2 2 241.379 0.833 20 0 BCADLP CCCNC(=O)CC[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000343424266 353881398 /nfs/dbraw/zinc/88/13/98/353881398.db2.gz AIEUCWXEJPXJHL-VXGBXAGGSA-N 2 2 241.379 0.833 20 0 BCADLP CC[N@H+](CC(=O)N1CC[NH+](C)C[C@H]1C)C1CC1 ZINC000343569647 353936996 /nfs/dbraw/zinc/93/69/96/353936996.db2.gz QZEDFRSJAKAJKN-LLVKDONJSA-N 2 2 239.363 0.633 20 0 BCADLP CC[N@@H+](CC(=O)N1CC[NH+](C)C[C@H]1C)C1CC1 ZINC000343569647 353936999 /nfs/dbraw/zinc/93/69/99/353936999.db2.gz QZEDFRSJAKAJKN-LLVKDONJSA-N 2 2 239.363 0.633 20 0 BCADLP CC[NH+](CC(=O)N1CC[N@H+](C)C[C@H]1C)C1CC1 ZINC000343569647 353937001 /nfs/dbraw/zinc/93/70/01/353937001.db2.gz QZEDFRSJAKAJKN-LLVKDONJSA-N 2 2 239.363 0.633 20 0 BCADLP CC[NH+](CC(=O)N1CC[N@@H+](C)C[C@H]1C)C1CC1 ZINC000343569647 353937005 /nfs/dbraw/zinc/93/70/05/353937005.db2.gz QZEDFRSJAKAJKN-LLVKDONJSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccoc1 ZINC000577946922 366126311 /nfs/dbraw/zinc/12/63/11/366126311.db2.gz IPVXNSHMXCVSEM-CMPLNLGQSA-N 2 2 223.320 0.834 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCN(C)CCOC)C1 ZINC000343894342 354051961 /nfs/dbraw/zinc/05/19/61/354051961.db2.gz RQNGRGFUPMSBKD-CHWSQXEVSA-N 2 2 243.395 0.494 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCN(C)CCOC)C1 ZINC000343894342 354051963 /nfs/dbraw/zinc/05/19/63/354051963.db2.gz RQNGRGFUPMSBKD-CHWSQXEVSA-N 2 2 243.395 0.494 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H](O)COCC1CC1 ZINC000344170028 354171143 /nfs/dbraw/zinc/17/11/43/354171143.db2.gz LQCFHGXMCFWUCT-KGYLQXTDSA-N 2 2 242.363 0.314 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H](O)COCC1CC1 ZINC000344170028 354171146 /nfs/dbraw/zinc/17/11/46/354171146.db2.gz LQCFHGXMCFWUCT-KGYLQXTDSA-N 2 2 242.363 0.314 20 0 BCADLP CNC(=O)[C@H]1CCCC[N@@H+]1CCC[NH2+]C ZINC000230895621 363327257 /nfs/dbraw/zinc/32/72/57/363327257.db2.gz GFVXMFVYIQLPHV-SNVBAGLBSA-N 2 2 213.325 0.196 20 0 BCADLP CNC(=O)[C@H]1CCCC[N@H+]1CCC[NH2+]C ZINC000230895621 363327258 /nfs/dbraw/zinc/32/72/58/363327258.db2.gz GFVXMFVYIQLPHV-SNVBAGLBSA-N 2 2 213.325 0.196 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000449734764 202010328 /nfs/dbraw/zinc/01/03/28/202010328.db2.gz DINCOKQZWUPHLK-WRWGMCAJSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000449734764 202010331 /nfs/dbraw/zinc/01/03/31/202010331.db2.gz DINCOKQZWUPHLK-WRWGMCAJSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[C@H](C[N@@H+]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000334587642 354213578 /nfs/dbraw/zinc/21/35/78/354213578.db2.gz YBOOIXLJDBRRSY-VXGBXAGGSA-N 3 2 211.353 0.670 20 0 BCADLP C[C@@H]1C[C@H](C[N@H+]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000334587642 354213579 /nfs/dbraw/zinc/21/35/79/354213579.db2.gz YBOOIXLJDBRRSY-VXGBXAGGSA-N 3 2 211.353 0.670 20 0 BCADLP CCN(C)C(=O)[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000231843148 363354903 /nfs/dbraw/zinc/35/49/03/363354903.db2.gz KFVDYECTYCKMBW-UWVGGRQHSA-N 2 2 213.325 0.195 20 0 BCADLP Cc1ncc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c(=O)[nH]1 ZINC000344338573 354234285 /nfs/dbraw/zinc/23/42/85/354234285.db2.gz XNBZPVWVFBNBCD-KWQFWETISA-N 2 2 236.319 0.530 20 0 BCADLP Cc1ncc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c(=O)[nH]1 ZINC000344338573 354234287 /nfs/dbraw/zinc/23/42/87/354234287.db2.gz XNBZPVWVFBNBCD-KWQFWETISA-N 2 2 236.319 0.530 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCSCCCO)n1C ZINC000578026790 366192891 /nfs/dbraw/zinc/19/28/91/366192891.db2.gz BDYKVKTUDIRWDG-UHFFFAOYSA-N 2 2 243.376 0.934 20 0 BCADLP CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC[NH3+])C1 ZINC000345550273 354710863 /nfs/dbraw/zinc/71/08/63/354710863.db2.gz GWXVFSNBAFPMIV-RYUDHWBXSA-N 2 2 241.379 0.962 20 0 BCADLP CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CC[NH3+])C1 ZINC000345550273 354710866 /nfs/dbraw/zinc/71/08/66/354710866.db2.gz GWXVFSNBAFPMIV-RYUDHWBXSA-N 2 2 241.379 0.962 20 0 BCADLP CCCCNC(=O)[C@H]1CCC[N@H+](CC[NH3+])C1 ZINC000345538535 354676657 /nfs/dbraw/zinc/67/66/57/354676657.db2.gz LTBRHKOCNXKIFK-NSHDSACASA-N 2 2 227.352 0.573 20 0 BCADLP CCCCNC(=O)[C@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000345538535 354676659 /nfs/dbraw/zinc/67/66/59/354676659.db2.gz LTBRHKOCNXKIFK-NSHDSACASA-N 2 2 227.352 0.573 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000335230437 355073044 /nfs/dbraw/zinc/07/30/44/355073044.db2.gz VAIFCDPAPYIRIH-NWDGAFQWSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000335230437 355073045 /nfs/dbraw/zinc/07/30/45/355073045.db2.gz VAIFCDPAPYIRIH-NWDGAFQWSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000449756864 202024375 /nfs/dbraw/zinc/02/43/75/202024375.db2.gz XDVJXUTVDMAVOE-PKZYVASSSA-N 2 2 210.321 0.582 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000449756864 202024377 /nfs/dbraw/zinc/02/43/77/202024377.db2.gz XDVJXUTVDMAVOE-PKZYVASSSA-N 2 2 210.321 0.582 20 0 BCADLP CC(C)([NH3+])CN1CC[NH+](Cc2ccccn2)CC1 ZINC000346825130 355126921 /nfs/dbraw/zinc/12/69/21/355126921.db2.gz ARBJPRCJBBPFBT-UHFFFAOYSA-N 2 2 248.374 0.937 20 0 BCADLP Cc1[nH]ncc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346832645 355129650 /nfs/dbraw/zinc/12/96/50/355129650.db2.gz RHZFAQMLXIOKQL-ZMLRMANQSA-N 2 2 220.320 0.887 20 0 BCADLP Cc1[nH]ncc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346832645 355129652 /nfs/dbraw/zinc/12/96/52/355129652.db2.gz RHZFAQMLXIOKQL-ZMLRMANQSA-N 2 2 220.320 0.887 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000346850053 355137710 /nfs/dbraw/zinc/13/77/10/355137710.db2.gz PGOAVPMSWFBVOU-JTQLQIEISA-N 2 2 225.336 0.467 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000346850053 355137712 /nfs/dbraw/zinc/13/77/12/355137712.db2.gz PGOAVPMSWFBVOU-JTQLQIEISA-N 2 2 225.336 0.467 20 0 BCADLP CC(C)C(=O)N[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000346856779 355140200 /nfs/dbraw/zinc/14/02/00/355140200.db2.gz WKDHIEFHFNOFCR-LLVKDONJSA-N 2 2 241.379 0.960 20 0 BCADLP CC(C)C(=O)N[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000346856779 355140201 /nfs/dbraw/zinc/14/02/01/355140201.db2.gz WKDHIEFHFNOFCR-LLVKDONJSA-N 2 2 241.379 0.960 20 0 BCADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)[nH]1 ZINC000347015478 355206078 /nfs/dbraw/zinc/20/60/78/355206078.db2.gz JNUXVTLJMVWRFH-VIFPVBQESA-N 2 2 237.303 0.582 20 0 BCADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)[nH]1 ZINC000347015478 355206079 /nfs/dbraw/zinc/20/60/79/355206079.db2.gz JNUXVTLJMVWRFH-VIFPVBQESA-N 2 2 237.303 0.582 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113514638 355250746 /nfs/dbraw/zinc/25/07/46/355250746.db2.gz LMCWUXRWEVKGIH-LLVKDONJSA-N 2 2 227.352 0.396 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113514638 355250747 /nfs/dbraw/zinc/25/07/47/355250747.db2.gz LMCWUXRWEVKGIH-LLVKDONJSA-N 2 2 227.352 0.396 20 0 BCADLP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)C[N@@H+]1C1CC1 ZINC000623749879 355369557 /nfs/dbraw/zinc/36/95/57/355369557.db2.gz RZDIIZNMEDFFCB-MRBYEJRBSA-N 2 2 224.348 0.972 20 0 BCADLP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)C[N@H+]1C1CC1 ZINC000623749879 355369562 /nfs/dbraw/zinc/36/95/62/355369562.db2.gz RZDIIZNMEDFFCB-MRBYEJRBSA-N 2 2 224.348 0.972 20 0 BCADLP CO[C@]1(C[NH2+]CC2([NH+](C)C)CC2)CCOC1 ZINC000639273152 355343875 /nfs/dbraw/zinc/34/38/75/355343875.db2.gz SSGJQXFUGGNAQL-LBPRGKRZSA-N 2 2 228.336 0.476 20 0 BCADLP COC[C@](C)(CCO)[NH2+]CC[NH2+]C(C)(C)C ZINC000414713199 191554261 /nfs/dbraw/zinc/55/42/61/191554261.db2.gz TYDBNCPQPRGEJC-LBPRGKRZSA-N 2 2 232.368 0.752 20 0 BCADLP CCC[NH+]1CCC([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000415019977 191653607 /nfs/dbraw/zinc/65/36/07/191653607.db2.gz AMSGLKALDKFMCO-ITGUQSILSA-N 3 2 223.364 0.668 20 0 BCADLP C[C@H](CC(=O)NCC(F)(F)C[NH3+])n1cc[nH+]c1 ZINC000582188426 355682060 /nfs/dbraw/zinc/68/20/60/355682060.db2.gz GKYPYLFBNQCZNY-MRVPVSSYSA-N 2 2 246.261 0.544 20 0 BCADLP C[C@@H](CC(=O)NCC(F)(F)C[NH3+])n1cc[nH+]c1 ZINC000582188427 355682651 /nfs/dbraw/zinc/68/26/51/355682651.db2.gz GKYPYLFBNQCZNY-QMMMGPOBSA-N 2 2 246.261 0.544 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCNc1cccc[nH+]1 ZINC000584349020 355804416 /nfs/dbraw/zinc/80/44/16/355804416.db2.gz XYCIQIXHBAAKFR-NXEZZACHSA-N 2 2 236.319 0.593 20 0 BCADLP CC[C@H]([NH3+])C(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000167157114 355961861 /nfs/dbraw/zinc/96/18/61/355961861.db2.gz YKEAHJKRFKJJFY-UWVGGRQHSA-N 2 2 236.319 0.360 20 0 BCADLP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)C2 ZINC000167156887 355961912 /nfs/dbraw/zinc/96/19/12/355961912.db2.gz QQKQPNBEJVXOLC-MNOVXSKESA-N 2 2 248.330 0.375 20 0 BCADLP CCn1c[nH+]cc1C[NH+]1C[C@@H](OC)[C@H](OC)C1 ZINC000418034096 191956288 /nfs/dbraw/zinc/95/62/88/191956288.db2.gz OCXGVCDMKCTHLX-VXGBXAGGSA-N 2 2 239.319 0.749 20 0 BCADLP NC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000035133438 181225583 /nfs/dbraw/zinc/22/55/83/181225583.db2.gz NVPJRKMNPSFNHB-ZDUSSCGKSA-N 2 2 247.342 0.726 20 0 BCADLP NC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000035133438 181225585 /nfs/dbraw/zinc/22/55/85/181225585.db2.gz NVPJRKMNPSFNHB-ZDUSSCGKSA-N 2 2 247.342 0.726 20 0 BCADLP CC1(C)C[NH+](CC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623257715 356027402 /nfs/dbraw/zinc/02/74/02/356027402.db2.gz RWZIMWDAFWFTOD-JTQLQIEISA-N 2 2 248.330 0.266 20 0 BCADLP NC(=O)C[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000131110586 181243253 /nfs/dbraw/zinc/24/32/53/181243253.db2.gz NDQONXYRDRSZEK-NSHDSACASA-N 2 2 236.319 0.613 20 0 BCADLP NC(=O)C[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000131110586 181243255 /nfs/dbraw/zinc/24/32/55/181243255.db2.gz NDQONXYRDRSZEK-NSHDSACASA-N 2 2 236.319 0.613 20 0 BCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](C)C1 ZINC000617550211 356092519 /nfs/dbraw/zinc/09/25/19/356092519.db2.gz LLLQITKUKQNPPA-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](C)C1 ZINC000617550211 356092523 /nfs/dbraw/zinc/09/25/23/356092523.db2.gz LLLQITKUKQNPPA-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CCSC[C@@H]2CO)n1C ZINC000639396396 356098108 /nfs/dbraw/zinc/09/81/08/356098108.db2.gz GAJCFFDLEIHDSI-NSHDSACASA-N 2 2 241.360 0.638 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CCSC[C@@H]2CO)n1C ZINC000639396396 356098113 /nfs/dbraw/zinc/09/81/13/356098113.db2.gz GAJCFFDLEIHDSI-NSHDSACASA-N 2 2 241.360 0.638 20 0 BCADLP Cc1cc(C)c(CNC(=O)N2CC[NH2+]CC2)c[nH+]1 ZINC000418271602 192011113 /nfs/dbraw/zinc/01/11/13/192011113.db2.gz WAYANFPYAFNJOL-UHFFFAOYSA-N 2 2 248.330 0.813 20 0 BCADLP Cc1nc(N2CC[NH2+]C[C@@](C)(F)C2)cc[nH+]1 ZINC000420262646 192191321 /nfs/dbraw/zinc/19/13/21/192191321.db2.gz MWCWKUBDMNHRIE-LLVKDONJSA-N 2 2 224.283 0.923 20 0 BCADLP Nc1c(NCCCC[NH3+])[nH+]cnc1-n1cccn1 ZINC000420241735 192184098 /nfs/dbraw/zinc/18/40/98/192184098.db2.gz WFIPMYZCJZTRNR-UHFFFAOYSA-N 2 2 247.306 0.395 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000420257128 192189581 /nfs/dbraw/zinc/18/95/81/192189581.db2.gz DNKXYUPYDZAWRU-RFZPGFLSSA-N 2 2 215.688 0.860 20 0 BCADLP C[NH2+][C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420274979 192198871 /nfs/dbraw/zinc/19/88/71/192198871.db2.gz PPKSBFKVDHUDNY-VXGBXAGGSA-N 3 2 211.353 0.670 20 0 BCADLP C[NH2+][C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420274979 192198873 /nfs/dbraw/zinc/19/88/73/192198873.db2.gz PPKSBFKVDHUDNY-VXGBXAGGSA-N 3 2 211.353 0.670 20 0 BCADLP Cc1[nH]c(C(=O)NCC[C@@H](C)[NH+](C)C)c[nH+]1 ZINC000617752943 356312278 /nfs/dbraw/zinc/31/22/78/356312278.db2.gz XUUHIPOTJNYHCV-MRVPVSSYSA-N 2 2 224.308 0.788 20 0 BCADLP COC[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639495017 356321202 /nfs/dbraw/zinc/32/12/02/356321202.db2.gz MNCCERFANJHOJY-NSHDSACASA-N 2 2 223.320 0.931 20 0 BCADLP COC[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639495017 356321203 /nfs/dbraw/zinc/32/12/03/356321203.db2.gz MNCCERFANJHOJY-NSHDSACASA-N 2 2 223.320 0.931 20 0 BCADLP C[NH2+]CC[N@H+](C)CCCn1cc[nH+]c1C ZINC000420331811 192213964 /nfs/dbraw/zinc/21/39/64/192213964.db2.gz ALGXBMAQNUCNOY-UHFFFAOYSA-N 3 2 210.325 0.733 20 0 BCADLP C[NH2+]CC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000420331811 192213965 /nfs/dbraw/zinc/21/39/65/192213965.db2.gz ALGXBMAQNUCNOY-UHFFFAOYSA-N 3 2 210.325 0.733 20 0 BCADLP C[N@H+](CC(=O)NCCC(C)(C)C)C1CC([NH3+])C1 ZINC000420342214 192215625 /nfs/dbraw/zinc/21/56/25/192215625.db2.gz VMBMMZOWKYWFHM-UHFFFAOYSA-N 2 2 241.379 0.960 20 0 BCADLP C[N@@H+](CC(=O)NCCC(C)(C)C)C1CC([NH3+])C1 ZINC000420342214 192215628 /nfs/dbraw/zinc/21/56/28/192215628.db2.gz VMBMMZOWKYWFHM-UHFFFAOYSA-N 2 2 241.379 0.960 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@](C)(O)C1 ZINC000639511344 356346216 /nfs/dbraw/zinc/34/62/16/356346216.db2.gz PDTNNBAOJGYNMI-NSHDSACASA-N 2 2 209.293 0.419 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@](C)(O)C1 ZINC000639511344 356346221 /nfs/dbraw/zinc/34/62/21/356346221.db2.gz PDTNNBAOJGYNMI-NSHDSACASA-N 2 2 209.293 0.419 20 0 BCADLP CC(C)OC(=O)CC[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420352057 192218122 /nfs/dbraw/zinc/21/81/22/192218122.db2.gz AKJXJQCVEFKNMT-NXEZZACHSA-N 2 2 214.309 0.607 20 0 BCADLP CC(C)OC(=O)CC[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420352057 192218125 /nfs/dbraw/zinc/21/81/25/192218125.db2.gz AKJXJQCVEFKNMT-NXEZZACHSA-N 2 2 214.309 0.607 20 0 BCADLP C[C@H]1CO[C@@H](CO)C[N@@H+]1CCc1c[nH+]cn1C ZINC000639519166 356363704 /nfs/dbraw/zinc/36/37/04/356363704.db2.gz OOMJGADTZCWRIZ-CMPLNLGQSA-N 2 2 239.319 0.044 20 0 BCADLP C[C@H]1CO[C@@H](CO)C[N@H+]1CCc1c[nH+]cn1C ZINC000639519166 356363708 /nfs/dbraw/zinc/36/37/08/356363708.db2.gz OOMJGADTZCWRIZ-CMPLNLGQSA-N 2 2 239.319 0.044 20 0 BCADLP C[NH2+]CCC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000420367582 192225913 /nfs/dbraw/zinc/22/59/13/192225913.db2.gz HCGCFFWDQCBMDJ-SDDRHHMPSA-N 2 2 240.347 0.869 20 0 BCADLP C[NH2+]CCC[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000420367582 192225914 /nfs/dbraw/zinc/22/59/14/192225914.db2.gz HCGCFFWDQCBMDJ-SDDRHHMPSA-N 2 2 240.347 0.869 20 0 BCADLP C[C@H]1C[N@H+](CCN(C)[C@H](C[NH3+])C2CC2)CCO1 ZINC000420323018 192227981 /nfs/dbraw/zinc/22/79/81/192227981.db2.gz XNNDPLUCLDFREE-WCQYABFASA-N 2 2 241.379 0.376 20 0 BCADLP C[C@H]1C[N@@H+](CCN(C)[C@H](C[NH3+])C2CC2)CCO1 ZINC000420323018 192227984 /nfs/dbraw/zinc/22/79/84/192227984.db2.gz XNNDPLUCLDFREE-WCQYABFASA-N 2 2 241.379 0.376 20 0 BCADLP C[C@H]1CN(CC[N@H+](C)[C@H](C[NH3+])C2CC2)CCO1 ZINC000420323018 192227986 /nfs/dbraw/zinc/22/79/86/192227986.db2.gz XNNDPLUCLDFREE-WCQYABFASA-N 2 2 241.379 0.376 20 0 BCADLP C[C@H]1CN(CC[N@@H+](C)[C@H](C[NH3+])C2CC2)CCO1 ZINC000420323018 192227989 /nfs/dbraw/zinc/22/79/89/192227989.db2.gz XNNDPLUCLDFREE-WCQYABFASA-N 2 2 241.379 0.376 20 0 BCADLP CCCCCNC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000420323041 192228303 /nfs/dbraw/zinc/22/83/03/192228303.db2.gz XPRBEBKOMNQGTF-CYBMUJFWSA-N 2 2 241.379 0.964 20 0 BCADLP CCCCCNC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000420323041 192228306 /nfs/dbraw/zinc/22/83/06/192228306.db2.gz XPRBEBKOMNQGTF-CYBMUJFWSA-N 2 2 241.379 0.964 20 0 BCADLP C[C@H]1C[N@H+](CCN(C)C2CC([NH3+])C2)CCO1 ZINC000420328983 192229338 /nfs/dbraw/zinc/22/93/38/192229338.db2.gz IPLZWINDGFPPIY-UNXYVOJBSA-N 2 2 227.352 0.129 20 0 BCADLP C[C@H]1C[N@@H+](CCN(C)C2CC([NH3+])C2)CCO1 ZINC000420328983 192229340 /nfs/dbraw/zinc/22/93/40/192229340.db2.gz IPLZWINDGFPPIY-UNXYVOJBSA-N 2 2 227.352 0.129 20 0 BCADLP NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCC[NH3+] ZINC000420324500 192230540 /nfs/dbraw/zinc/23/05/40/192230540.db2.gz VMBAUPPBTFLICG-LBPRGKRZSA-N 2 2 233.315 0.247 20 0 BCADLP NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCC[NH3+] ZINC000420324500 192230543 /nfs/dbraw/zinc/23/05/43/192230543.db2.gz VMBAUPPBTFLICG-LBPRGKRZSA-N 2 2 233.315 0.247 20 0 BCADLP CC(C)NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420354285 192219719 /nfs/dbraw/zinc/21/97/19/192219719.db2.gz BBGQZKSFFGYEOX-CKYFFXLPSA-N 2 2 227.352 0.487 20 0 BCADLP COC(=O)[C@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000420356772 192220915 /nfs/dbraw/zinc/22/09/15/192220915.db2.gz HBLVZSMGCVCLAH-IUCAKERBSA-N 2 2 200.282 0.219 20 0 BCADLP COC(=O)[C@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000420356772 192220917 /nfs/dbraw/zinc/22/09/17/192220917.db2.gz HBLVZSMGCVCLAH-IUCAKERBSA-N 2 2 200.282 0.219 20 0 BCADLP CC(C)N(C)C(=O)C[NH2+][C@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420354775 192220964 /nfs/dbraw/zinc/22/09/64/192220964.db2.gz BMOMSEWZUSRWER-MDZLAQPJSA-N 2 2 241.379 0.829 20 0 BCADLP CCCCNC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420362359 192221400 /nfs/dbraw/zinc/22/14/00/192221400.db2.gz NBBUCSOERSLKCQ-SNVBAGLBSA-N 2 2 229.368 0.866 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420359981 192221542 /nfs/dbraw/zinc/22/15/42/192221542.db2.gz GNIMUCLFFHCXMZ-DMDPSCGWSA-N 2 2 241.379 0.831 20 0 BCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCc1c[nH+]cn1C ZINC000420365739 192223711 /nfs/dbraw/zinc/22/37/11/192223711.db2.gz LKVGVMKXOHKIRU-JFGNBEQYSA-N 2 2 222.336 0.896 20 0 BCADLP CCOC(=O)CC[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420365322 192223808 /nfs/dbraw/zinc/22/38/08/192223808.db2.gz JBZYFRMSGHRMCK-RKDXNWHRSA-N 2 2 200.282 0.219 20 0 BCADLP CCOC(=O)CC[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420365322 192223811 /nfs/dbraw/zinc/22/38/11/192223811.db2.gz JBZYFRMSGHRMCK-RKDXNWHRSA-N 2 2 200.282 0.219 20 0 BCADLP CC[N@@H+]1CCN(CC[NH+]2CCOCC2)[C@H](C)C1 ZINC000352658562 356397759 /nfs/dbraw/zinc/39/77/59/356397759.db2.gz JLYNEVKDYIADDW-CYBMUJFWSA-N 2 2 241.379 0.345 20 0 BCADLP CC[N@H+]1CCN(CC[NH+]2CCOCC2)[C@H](C)C1 ZINC000352658562 356397763 /nfs/dbraw/zinc/39/77/63/356397763.db2.gz JLYNEVKDYIADDW-CYBMUJFWSA-N 2 2 241.379 0.345 20 0 BCADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCN1CCOCC1 ZINC000420363940 192224026 /nfs/dbraw/zinc/22/40/26/192224026.db2.gz OLUVOQYSBKIVHT-GFCCVEGCSA-N 2 2 243.395 0.672 20 0 BCADLP CC(C)(C)[C@@H](C[NH3+])NCCC[NH+]1CCOCC1 ZINC000420363940 192224027 /nfs/dbraw/zinc/22/40/27/192224027.db2.gz OLUVOQYSBKIVHT-GFCCVEGCSA-N 2 2 243.395 0.672 20 0 BCADLP C[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1[NH3+] ZINC000420387908 192234490 /nfs/dbraw/zinc/23/44/90/192234490.db2.gz WJTPKMUJHBBTPF-HTQZYQBOSA-N 2 2 208.252 0.547 20 0 BCADLP C[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1[NH3+] ZINC000420387908 192234492 /nfs/dbraw/zinc/23/44/92/192234492.db2.gz WJTPKMUJHBBTPF-HTQZYQBOSA-N 2 2 208.252 0.547 20 0 BCADLP C[NH2+]CCC[N@H+](C)CC(=O)NCC1CCC1 ZINC000420392939 192236708 /nfs/dbraw/zinc/23/67/08/192236708.db2.gz WPVKVEWDEBGSBU-UHFFFAOYSA-N 2 2 227.352 0.444 20 0 BCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NCC1CCC1 ZINC000420392939 192236709 /nfs/dbraw/zinc/23/67/09/192236709.db2.gz WPVKVEWDEBGSBU-UHFFFAOYSA-N 2 2 227.352 0.444 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000420375331 192231548 /nfs/dbraw/zinc/23/15/48/192231548.db2.gz SURGFAYAFLUZPD-CKYFFXLPSA-N 2 2 222.336 0.896 20 0 BCADLP CCOC(=O)[C@]1(C(C)C)CC[N@H+](CC[NH3+])C1 ZINC000420374146 192231842 /nfs/dbraw/zinc/23/18/42/192231842.db2.gz NJYCOCDJVKFGDT-GFCCVEGCSA-N 2 2 228.336 0.856 20 0 BCADLP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CC[NH3+])C1 ZINC000420374146 192231845 /nfs/dbraw/zinc/23/18/45/192231845.db2.gz NJYCOCDJVKFGDT-GFCCVEGCSA-N 2 2 228.336 0.856 20 0 BCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccnn1C ZINC000420377701 192233745 /nfs/dbraw/zinc/23/37/45/192233745.db2.gz WJSOOSIYEGHAJK-SCVCMEIPSA-N 2 2 222.336 0.896 20 0 BCADLP [NH3+]CC[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000420378425 192233879 /nfs/dbraw/zinc/23/38/79/192233879.db2.gz UERNQRBWBZHLMT-CQSZACIVSA-N 2 2 249.358 0.608 20 0 BCADLP CC[C@@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@@H]1O ZINC000639554575 356456708 /nfs/dbraw/zinc/45/67/08/356456708.db2.gz LIWKAELTFPHAHU-PWSUYJOCSA-N 2 2 223.320 0.665 20 0 BCADLP CC[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@@H]1O ZINC000639554575 356456711 /nfs/dbraw/zinc/45/67/11/356456711.db2.gz LIWKAELTFPHAHU-PWSUYJOCSA-N 2 2 223.320 0.665 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCSC[C@@H]1CO ZINC000639556792 356461043 /nfs/dbraw/zinc/46/10/43/356461043.db2.gz QNPUPTSIQOXLIM-NSHDSACASA-N 2 2 241.360 0.372 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCSC[C@@H]1CO ZINC000639556792 356461045 /nfs/dbraw/zinc/46/10/45/356461045.db2.gz QNPUPTSIQOXLIM-NSHDSACASA-N 2 2 241.360 0.372 20 0 BCADLP CC[NH+](CC)CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000580356949 356433696 /nfs/dbraw/zinc/43/36/96/356433696.db2.gz YIOOHQUINKMJDU-SECBINFHSA-N 2 2 224.308 0.929 20 0 BCADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CCC1=O ZINC000639592871 356510679 /nfs/dbraw/zinc/51/06/79/356510679.db2.gz NQAKJKTTYDLCTG-SNVBAGLBSA-N 2 2 221.304 0.874 20 0 BCADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CCC1=O ZINC000639592871 356510685 /nfs/dbraw/zinc/51/06/85/356510685.db2.gz NQAKJKTTYDLCTG-SNVBAGLBSA-N 2 2 221.304 0.874 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2nn[nH]c2C1 ZINC000639605139 356525636 /nfs/dbraw/zinc/52/56/36/356525636.db2.gz DCEFNJKWRLAETJ-UHFFFAOYSA-N 2 2 232.291 0.139 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCc2nn[nH]c2C1 ZINC000639605139 356525637 /nfs/dbraw/zinc/52/56/37/356525637.db2.gz DCEFNJKWRLAETJ-UHFFFAOYSA-N 2 2 232.291 0.139 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2n[nH]nc2C1 ZINC000639605139 356525638 /nfs/dbraw/zinc/52/56/38/356525638.db2.gz DCEFNJKWRLAETJ-UHFFFAOYSA-N 2 2 232.291 0.139 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCc2n[nH]nc2C1 ZINC000639605139 356525639 /nfs/dbraw/zinc/52/56/39/356525639.db2.gz DCEFNJKWRLAETJ-UHFFFAOYSA-N 2 2 232.291 0.139 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000639618060 356535207 /nfs/dbraw/zinc/53/52/07/356535207.db2.gz AAZJFBZPXDSUTC-LLVKDONJSA-N 2 2 223.320 0.665 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000639618060 356535209 /nfs/dbraw/zinc/53/52/09/356535209.db2.gz AAZJFBZPXDSUTC-LLVKDONJSA-N 2 2 223.320 0.665 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000639618061 356535228 /nfs/dbraw/zinc/53/52/28/356535228.db2.gz AAZJFBZPXDSUTC-NSHDSACASA-N 2 2 223.320 0.665 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000639618061 356535229 /nfs/dbraw/zinc/53/52/29/356535229.db2.gz AAZJFBZPXDSUTC-NSHDSACASA-N 2 2 223.320 0.665 20 0 BCADLP CO[C@@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@@H]1OC ZINC000639612647 356536659 /nfs/dbraw/zinc/53/66/59/356536659.db2.gz KCNXWHSTNAPVQB-TXEJJXNPSA-N 2 2 239.319 0.308 20 0 BCADLP CO[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@@H]1OC ZINC000639612647 356536663 /nfs/dbraw/zinc/53/66/63/356536663.db2.gz KCNXWHSTNAPVQB-TXEJJXNPSA-N 2 2 239.319 0.308 20 0 BCADLP CN(CC[NH+]1CCOCC1)C[C@H]1CCC[N@@H+]1C ZINC000420993833 192292112 /nfs/dbraw/zinc/29/21/12/192292112.db2.gz BJXPDGNCZFYQJY-CYBMUJFWSA-N 2 2 241.379 0.345 20 0 BCADLP CN(CC[NH+]1CCOCC1)C[C@H]1CCC[N@H+]1C ZINC000420993833 192292114 /nfs/dbraw/zinc/29/21/14/192292114.db2.gz BJXPDGNCZFYQJY-CYBMUJFWSA-N 2 2 241.379 0.345 20 0 BCADLP CN(CCn1cc[nH+]c1)C[C@@H]1CCC[N@@H+]1C ZINC000420996563 192293753 /nfs/dbraw/zinc/29/37/53/192293753.db2.gz FTHASYGMJHIIAZ-LBPRGKRZSA-N 2 2 222.336 0.909 20 0 BCADLP CN(CCn1cc[nH+]c1)C[C@@H]1CCC[N@H+]1C ZINC000420996563 192293756 /nfs/dbraw/zinc/29/37/56/192293756.db2.gz FTHASYGMJHIIAZ-LBPRGKRZSA-N 2 2 222.336 0.909 20 0 BCADLP CCC[N@H+](CCc1c[nH+]cn1C)CC(N)=O ZINC000639653765 356565196 /nfs/dbraw/zinc/56/51/96/356565196.db2.gz CIRURYKRGYRTTI-UHFFFAOYSA-N 2 2 224.308 0.160 20 0 BCADLP CCC[N@@H+](CCc1c[nH+]cn1C)CC(N)=O ZINC000639653765 356565197 /nfs/dbraw/zinc/56/51/97/356565197.db2.gz CIRURYKRGYRTTI-UHFFFAOYSA-N 2 2 224.308 0.160 20 0 BCADLP CC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000639698543 356606767 /nfs/dbraw/zinc/60/67/67/356606767.db2.gz LIEHJLDDVSCVJG-UHFFFAOYSA-N 2 2 226.320 0.372 20 0 BCADLP CC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000639698543 356606771 /nfs/dbraw/zinc/60/67/71/356606771.db2.gz LIEHJLDDVSCVJG-UHFFFAOYSA-N 2 2 226.320 0.372 20 0 BCADLP COC[C@@H](CCO)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422981999 192518260 /nfs/dbraw/zinc/51/82/60/192518260.db2.gz UZPLNWKJRYLNRF-IJLUTSLNSA-N 2 2 230.352 0.504 20 0 BCADLP CCc1cc(N2CC[NH+](CC(N)=O)CC2)cc[nH+]1 ZINC000450233437 202104642 /nfs/dbraw/zinc/10/46/42/202104642.db2.gz NKTSEDUGZUBQNV-UHFFFAOYSA-N 2 2 248.330 0.251 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H](C)[C@H](C)OC ZINC000380320599 538466479 /nfs/dbraw/zinc/46/64/79/538466479.db2.gz KJEHESJBFNAKSC-MNOVXSKESA-N 2 2 218.341 0.314 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)[C@H](C)OC ZINC000380320599 538466480 /nfs/dbraw/zinc/46/64/80/538466480.db2.gz KJEHESJBFNAKSC-MNOVXSKESA-N 2 2 218.341 0.314 20 0 BCADLP Cn1cc[nH+]c1CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000580512990 363555664 /nfs/dbraw/zinc/55/56/64/363555664.db2.gz IIMNKJDFWTXJMI-UHFFFAOYSA-N 2 2 246.318 0.465 20 0 BCADLP CC(C)CNC(=O)[C@H](C)[NH+]1CCC([NH3+])CC1 ZINC000026513153 356669217 /nfs/dbraw/zinc/66/92/17/356669217.db2.gz SZUVKXYYKIDLHN-JTQLQIEISA-N 2 2 227.352 0.570 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCC2(CO)CC2)n1C ZINC000578144547 366325070 /nfs/dbraw/zinc/32/50/70/366325070.db2.gz WRDWFHLBDLPKEU-UHFFFAOYSA-N 2 2 223.320 0.981 20 0 BCADLP CCC[C@H](C(=O)OCC)[N@H+](C)CCC[NH3+] ZINC000212238289 356696549 /nfs/dbraw/zinc/69/65/49/356696549.db2.gz MKSKMYDCZZQXSR-SNVBAGLBSA-N 2 2 216.325 0.999 20 0 BCADLP CCC[C@H](C(=O)OCC)[N@@H+](C)CCC[NH3+] ZINC000212238289 356696550 /nfs/dbraw/zinc/69/65/50/356696550.db2.gz MKSKMYDCZZQXSR-SNVBAGLBSA-N 2 2 216.325 0.999 20 0 BCADLP CO[C@H]1C[N@H+](CCn2cc[nH+]c2C)CCO1 ZINC000639836026 356826488 /nfs/dbraw/zinc/82/64/88/356826488.db2.gz DYTGKQKXQQGISU-LLVKDONJSA-N 2 2 225.292 0.496 20 0 BCADLP CO[C@H]1C[N@@H+](CCn2cc[nH+]c2C)CCO1 ZINC000639836026 356826492 /nfs/dbraw/zinc/82/64/92/356826492.db2.gz DYTGKQKXQQGISU-LLVKDONJSA-N 2 2 225.292 0.496 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C[C@H](C)O1 ZINC000623759450 356871943 /nfs/dbraw/zinc/87/19/43/356871943.db2.gz MSCCSYOYJUICKP-MROQNXINSA-N 2 2 242.363 0.599 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C[C@H](C)O1 ZINC000623759450 356871944 /nfs/dbraw/zinc/87/19/44/356871944.db2.gz MSCCSYOYJUICKP-MROQNXINSA-N 2 2 242.363 0.599 20 0 BCADLP O=C(CCc1c[nH+]c[nH]1)NCCCn1cc[nH+]c1 ZINC000352133816 538717575 /nfs/dbraw/zinc/71/75/75/538717575.db2.gz GAYMTQSBHDIDQW-UHFFFAOYSA-N 2 2 247.302 0.745 20 0 BCADLP COC(=O)[C@]1(C)CC[N@H+](CC[NH2+]C(C)C)C1 ZINC000193460900 357102298 /nfs/dbraw/zinc/10/22/98/357102298.db2.gz PIKQCORFNKCUCF-GFCCVEGCSA-N 2 2 228.336 0.869 20 0 BCADLP COC(=O)[C@]1(C)CC[N@@H+](CC[NH2+]C(C)C)C1 ZINC000193460900 357102303 /nfs/dbraw/zinc/10/23/03/357102303.db2.gz PIKQCORFNKCUCF-GFCCVEGCSA-N 2 2 228.336 0.869 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C)C1 ZINC000390496149 357096933 /nfs/dbraw/zinc/09/69/33/357096933.db2.gz RIJLFCHZWPUZHQ-NWDGAFQWSA-N 2 2 230.352 0.267 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C)C1 ZINC000390496149 357096938 /nfs/dbraw/zinc/09/69/38/357096938.db2.gz RIJLFCHZWPUZHQ-NWDGAFQWSA-N 2 2 230.352 0.267 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C)C1 ZINC000390496149 357096943 /nfs/dbraw/zinc/09/69/43/357096943.db2.gz RIJLFCHZWPUZHQ-NWDGAFQWSA-N 2 2 230.352 0.267 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C)C1 ZINC000390496149 357096947 /nfs/dbraw/zinc/09/69/47/357096947.db2.gz RIJLFCHZWPUZHQ-NWDGAFQWSA-N 2 2 230.352 0.267 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000390680904 357114396 /nfs/dbraw/zinc/11/43/96/357114396.db2.gz ZQXGWOPTTRKGRK-UTUOFQBUSA-N 3 2 211.353 0.655 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000390680904 357114399 /nfs/dbraw/zinc/11/43/99/357114399.db2.gz ZQXGWOPTTRKGRK-UTUOFQBUSA-N 3 2 211.353 0.655 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC1(C)C ZINC000393882839 357304977 /nfs/dbraw/zinc/30/49/77/357304977.db2.gz NLVHKNFYJTZDPS-GFCCVEGCSA-N 2 2 244.379 0.800 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1(C)C ZINC000393882839 357304979 /nfs/dbraw/zinc/30/49/79/357304979.db2.gz NLVHKNFYJTZDPS-GFCCVEGCSA-N 2 2 244.379 0.800 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC1(C)C ZINC000393882839 357304983 /nfs/dbraw/zinc/30/49/83/357304983.db2.gz NLVHKNFYJTZDPS-GFCCVEGCSA-N 2 2 244.379 0.800 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCC1(C)C ZINC000393882839 357304987 /nfs/dbraw/zinc/30/49/87/357304987.db2.gz NLVHKNFYJTZDPS-GFCCVEGCSA-N 2 2 244.379 0.800 20 0 BCADLP Cc1n[nH]cc1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000582780438 357390549 /nfs/dbraw/zinc/39/05/49/357390549.db2.gz PKQAUIMRSMWOPO-LBPRGKRZSA-N 2 2 238.335 0.263 20 0 BCADLP Cc1n[nH]cc1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000582780438 357390555 /nfs/dbraw/zinc/39/05/55/357390555.db2.gz PKQAUIMRSMWOPO-LBPRGKRZSA-N 2 2 238.335 0.263 20 0 BCADLP CC[C@H](C)[N@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC000073291343 357402716 /nfs/dbraw/zinc/40/27/16/357402716.db2.gz VMJTWLZKSSHXQW-NSHDSACASA-N 2 2 238.335 0.730 20 0 BCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC000073291343 357402720 /nfs/dbraw/zinc/40/27/20/357402720.db2.gz VMJTWLZKSSHXQW-NSHDSACASA-N 2 2 238.335 0.730 20 0 BCADLP C[NH2+]Cc1noc([C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000583203845 357519284 /nfs/dbraw/zinc/51/92/84/357519284.db2.gz WMXLVMSPTAXZPT-JGVFFNPUSA-N 2 2 210.281 0.774 20 0 BCADLP C[C@H](CC(=O)N(C)CC[NH+](C)C)n1cc[nH+]c1 ZINC000583207966 357520474 /nfs/dbraw/zinc/52/04/74/357520474.db2.gz RUCWWPAPFQOCRH-LLVKDONJSA-N 2 2 238.335 0.854 20 0 BCADLP CC[NH2+]CCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000659515360 491113366 /nfs/dbraw/zinc/11/33/66/491113366.db2.gz SHEGWMDIPMNSOG-SECBINFHSA-N 2 2 239.323 0.390 20 0 BCADLP C[NH2+]C[C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000583270588 357776890 /nfs/dbraw/zinc/77/68/90/357776890.db2.gz ZSNGGFSHFGYJLB-MNOVXSKESA-N 2 2 238.335 0.806 20 0 BCADLP COC[C@](C)(CO)[NH2+]CCCn1cc[nH+]c1 ZINC000639957610 357982001 /nfs/dbraw/zinc/98/20/01/357982001.db2.gz QKUOVKGOXFUVGV-NSHDSACASA-N 2 2 227.308 0.260 20 0 BCADLP COC[C@@](C)(CO)[NH2+]CCc1cc[nH+]cc1C ZINC000639958249 357982867 /nfs/dbraw/zinc/98/28/67/357982867.db2.gz PWNALPQNQFNDPQ-CYBMUJFWSA-N 2 2 238.331 0.920 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000584474740 357991411 /nfs/dbraw/zinc/99/14/11/357991411.db2.gz GBPYAAJUKMBKNV-ZYHUDNBSSA-N 2 2 230.352 0.456 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000584474740 357991414 /nfs/dbraw/zinc/99/14/14/357991414.db2.gz GBPYAAJUKMBKNV-ZYHUDNBSSA-N 2 2 230.352 0.456 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH2+]C1CC(F)(F)C1)C1CC1 ZINC000584465394 357992558 /nfs/dbraw/zinc/99/25/58/357992558.db2.gz GISUDTWUEBXMKE-JTQLQIEISA-N 2 2 234.290 0.829 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH2+]C1CC(F)(F)C1)C1CC1 ZINC000584465394 357992561 /nfs/dbraw/zinc/99/25/61/357992561.db2.gz GISUDTWUEBXMKE-JTQLQIEISA-N 2 2 234.290 0.829 20 0 BCADLP CCc1nncn1CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000546677865 325300769 /nfs/dbraw/zinc/30/07/69/325300769.db2.gz PITFYPBHAYVXCP-MNOVXSKESA-N 2 2 237.351 0.380 20 0 BCADLP CCc1nncn1CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000546677865 325300772 /nfs/dbraw/zinc/30/07/72/325300772.db2.gz PITFYPBHAYVXCP-MNOVXSKESA-N 2 2 237.351 0.380 20 0 BCADLP NC(=O)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000050243061 181294328 /nfs/dbraw/zinc/29/43/28/181294328.db2.gz SKCFHUQZJAFHIA-LLVKDONJSA-N 2 2 219.288 0.319 20 0 BCADLP NC(=O)c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000050243061 181294330 /nfs/dbraw/zinc/29/43/30/181294330.db2.gz SKCFHUQZJAFHIA-LLVKDONJSA-N 2 2 219.288 0.319 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CC2(O)CCC2)n1C ZINC000583883105 358119196 /nfs/dbraw/zinc/11/91/96/358119196.db2.gz GBQGTVHDKVRYBO-UHFFFAOYSA-N 2 2 209.293 0.733 20 0 BCADLP C[C@@H]1C[C@@H]1C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640065697 358153580 /nfs/dbraw/zinc/15/35/80/358153580.db2.gz ZSRIVVNBRVZYDB-VXGBXAGGSA-N 2 2 239.363 0.348 20 0 BCADLP O=C(Cn1cc[nH+]c1)N1CC[NH+](C2CCC2)CC1 ZINC000584754295 358168796 /nfs/dbraw/zinc/16/87/96/358168796.db2.gz IPRXPCMHJMNOJR-UHFFFAOYSA-N 2 2 248.330 0.580 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252715817 535405640 /nfs/dbraw/zinc/40/56/40/535405640.db2.gz WUISKVJWYRLGLC-OUAUKWLOSA-N 2 2 227.352 0.441 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252715817 535405644 /nfs/dbraw/zinc/40/56/44/535405644.db2.gz WUISKVJWYRLGLC-OUAUKWLOSA-N 2 2 227.352 0.441 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000040601215 358242821 /nfs/dbraw/zinc/24/28/21/358242821.db2.gz JGGBJYMSFXDHGG-GFCCVEGCSA-N 2 2 239.363 0.540 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000040601215 358242823 /nfs/dbraw/zinc/24/28/23/358242823.db2.gz JGGBJYMSFXDHGG-GFCCVEGCSA-N 2 2 239.363 0.540 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)n1C ZINC000578207177 366392572 /nfs/dbraw/zinc/39/25/72/366392572.db2.gz NCSHQKSEEOLAJW-CABZTGNLSA-N 2 2 239.319 0.358 20 0 BCADLP CC[C@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000229963005 358387831 /nfs/dbraw/zinc/38/78/31/358387831.db2.gz QUDCZUCNPPJSGK-JTQLQIEISA-N 2 2 226.324 0.347 20 0 BCADLP O=C(CCn1cc[nH+]c1)NCC1CC[NH2+]CC1 ZINC000044503627 358388766 /nfs/dbraw/zinc/38/87/66/358388766.db2.gz OOOHZFCRMHHPJM-UHFFFAOYSA-N 2 2 236.319 0.389 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@H]([NH3+])C2CC2)c[nH+]1 ZINC000564328230 325383951 /nfs/dbraw/zinc/38/39/51/325383951.db2.gz IWSKLCYLOONQTK-QMMMGPOBSA-N 2 2 208.265 0.185 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+]CC[C@@H]2CCOC2)C1 ZINC000628465138 358398439 /nfs/dbraw/zinc/39/84/39/358398439.db2.gz UNRQDIKNADMFGH-VXGBXAGGSA-N 2 2 228.336 0.069 20 0 BCADLP O[C@@H]1CC[N@@H+](CC[NH2+]CC[C@@H]2CCOC2)C1 ZINC000628465138 358398442 /nfs/dbraw/zinc/39/84/42/358398442.db2.gz UNRQDIKNADMFGH-VXGBXAGGSA-N 2 2 228.336 0.069 20 0 BCADLP O=C(NCCCCn1cc[nH+]c1)[C@@H]1CCC[NH2+]1 ZINC000045109153 358401522 /nfs/dbraw/zinc/40/15/22/358401522.db2.gz YQEHCWXYKLAUNF-NSHDSACASA-N 2 2 236.319 0.532 20 0 BCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cnnn1C ZINC000129751974 358595779 /nfs/dbraw/zinc/59/57/79/358595779.db2.gz KMXCVRSLSFBBRE-KOLCDFICSA-N 2 2 223.324 0.245 20 0 BCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cnnn1C ZINC000129751974 358595781 /nfs/dbraw/zinc/59/57/81/358595781.db2.gz KMXCVRSLSFBBRE-KOLCDFICSA-N 2 2 223.324 0.245 20 0 BCADLP C[C@H](C[S@@](C)=O)[N@H+](C)C1CC[NH+](C)CC1 ZINC000131000919 358657495 /nfs/dbraw/zinc/65/74/95/358657495.db2.gz VYSXLUYOSYKENK-BMIGLBTASA-N 2 2 232.393 0.779 20 0 BCADLP C[C@H](C[S@@](C)=O)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000131000919 358657496 /nfs/dbraw/zinc/65/74/96/358657496.db2.gz VYSXLUYOSYKENK-BMIGLBTASA-N 2 2 232.393 0.779 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2)C[N@@H+]1C1CC1 ZINC000131244402 358666843 /nfs/dbraw/zinc/66/68/43/358666843.db2.gz POORYMCQSFNQCL-MXWKQRLJSA-N 2 2 237.347 0.480 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2)C[N@H+]1C1CC1 ZINC000131244402 358666845 /nfs/dbraw/zinc/66/68/45/358666845.db2.gz POORYMCQSFNQCL-MXWKQRLJSA-N 2 2 237.347 0.480 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261548598 535435085 /nfs/dbraw/zinc/43/50/85/535435085.db2.gz JSCCFAXUDVMGMN-VXGBXAGGSA-N 2 2 239.363 0.396 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261548598 535435089 /nfs/dbraw/zinc/43/50/89/535435089.db2.gz JSCCFAXUDVMGMN-VXGBXAGGSA-N 2 2 239.363 0.396 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261548596 535435272 /nfs/dbraw/zinc/43/52/72/535435272.db2.gz JSCCFAXUDVMGMN-RYUDHWBXSA-N 2 2 239.363 0.396 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261548596 535435276 /nfs/dbraw/zinc/43/52/76/535435276.db2.gz JSCCFAXUDVMGMN-RYUDHWBXSA-N 2 2 239.363 0.396 20 0 BCADLP C[C@@H]1CCC[N@@H+]1C1CC[NH+](CCO)CC1 ZINC000134685372 358801136 /nfs/dbraw/zinc/80/11/36/358801136.db2.gz SWUKFECNIVPBCL-LLVKDONJSA-N 2 2 212.337 0.927 20 0 BCADLP C[C@@H]1CCC[N@H+]1C1CC[NH+](CCO)CC1 ZINC000134685372 358801140 /nfs/dbraw/zinc/80/11/40/358801140.db2.gz SWUKFECNIVPBCL-LLVKDONJSA-N 2 2 212.337 0.927 20 0 BCADLP C[NH+](C)C1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000613675945 363618926 /nfs/dbraw/zinc/61/89/26/363618926.db2.gz TYXSWFLEMTYLFU-JTQLQIEISA-N 2 2 248.330 0.408 20 0 BCADLP CC(C)[NH+]1CCC([NH2+]Cc2cnnn2C)CC1 ZINC000135848089 358852368 /nfs/dbraw/zinc/85/23/68/358852368.db2.gz QCYKZNSVDQVHDF-UHFFFAOYSA-N 2 2 237.351 0.778 20 0 BCADLP Cn1cc(C[NH2+]CCCn2cc[nH+]c2)nn1 ZINC000054859100 358876879 /nfs/dbraw/zinc/87/68/79/358876879.db2.gz LBCNHGAVLDPSOH-UHFFFAOYSA-N 2 2 220.280 0.192 20 0 BCADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC000054860457 358877141 /nfs/dbraw/zinc/87/71/41/358877141.db2.gz UDSBDPWYRLPCQK-SNVBAGLBSA-N 2 2 223.324 0.247 20 0 BCADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC000054860457 358877146 /nfs/dbraw/zinc/87/71/46/358877146.db2.gz UDSBDPWYRLPCQK-SNVBAGLBSA-N 2 2 223.324 0.247 20 0 BCADLP CC[C@H](CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000069717982 359033091 /nfs/dbraw/zinc/03/30/91/359033091.db2.gz NOOPXDQGMOPQHD-SECBINFHSA-N 2 2 226.324 0.347 20 0 BCADLP CN(C)c1ncc(C[NH2+]CCn2cc[nH+]c2)n1C ZINC000070143832 359043261 /nfs/dbraw/zinc/04/32/61/359043261.db2.gz DRPJAFIWEVIPLV-UHFFFAOYSA-N 2 2 248.334 0.472 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)C)[C@@H](C)C1 ZINC000246973420 359179051 /nfs/dbraw/zinc/17/90/51/359179051.db2.gz JDWDOKOJCVRBHU-RYUDHWBXSA-N 2 2 241.379 0.737 20 0 BCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)C)[C@@H](C)C1 ZINC000246973420 359179055 /nfs/dbraw/zinc/17/90/55/359179055.db2.gz JDWDOKOJCVRBHU-RYUDHWBXSA-N 2 2 241.379 0.737 20 0 BCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)C)[C@@H](C)C1 ZINC000246973420 359179058 /nfs/dbraw/zinc/17/90/58/359179058.db2.gz JDWDOKOJCVRBHU-RYUDHWBXSA-N 2 2 241.379 0.737 20 0 BCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)C)[C@@H](C)C1 ZINC000246973420 359179061 /nfs/dbraw/zinc/17/90/61/359179061.db2.gz JDWDOKOJCVRBHU-RYUDHWBXSA-N 2 2 241.379 0.737 20 0 BCADLP CCCNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246580440 359148559 /nfs/dbraw/zinc/14/85/59/359148559.db2.gz FJZTYWDGWOZZCJ-RYUDHWBXSA-N 2 2 241.379 0.927 20 0 BCADLP CCCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246580440 359148566 /nfs/dbraw/zinc/14/85/66/359148566.db2.gz FJZTYWDGWOZZCJ-RYUDHWBXSA-N 2 2 241.379 0.927 20 0 BCADLP CCCNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246580440 359148571 /nfs/dbraw/zinc/14/85/71/359148571.db2.gz FJZTYWDGWOZZCJ-RYUDHWBXSA-N 2 2 241.379 0.927 20 0 BCADLP CCCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246580440 359148578 /nfs/dbraw/zinc/14/85/78/359148578.db2.gz FJZTYWDGWOZZCJ-RYUDHWBXSA-N 2 2 241.379 0.927 20 0 BCADLP C[C@H]1CC[N@H+](CC(N)=O)C[C@H]1n1cc[nH+]c1 ZINC000247772129 359244395 /nfs/dbraw/zinc/24/43/95/359244395.db2.gz WGUSFLQHBPFJFX-VHSXEESVSA-N 2 2 222.292 0.251 20 0 BCADLP C[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1n1cc[nH+]c1 ZINC000247772129 359244397 /nfs/dbraw/zinc/24/43/97/359244397.db2.gz WGUSFLQHBPFJFX-VHSXEESVSA-N 2 2 222.292 0.251 20 0 BCADLP c1cn(CC[NH2+]CC2CC[NH2+]CC2)c[nH+]1 ZINC000086700825 359355520 /nfs/dbraw/zinc/35/55/20/359355520.db2.gz XCXXWXYNAQAHMV-UHFFFAOYSA-N 3 2 208.309 0.472 20 0 BCADLP C[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152488137 359334750 /nfs/dbraw/zinc/33/47/50/359334750.db2.gz FEMOGENPPBLSPT-NXEZZACHSA-N 2 2 213.325 0.134 20 0 BCADLP C[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152488137 359334752 /nfs/dbraw/zinc/33/47/52/359334752.db2.gz FEMOGENPPBLSPT-NXEZZACHSA-N 2 2 213.325 0.134 20 0 BCADLP C[C@H](C(N)=O)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152488137 359334754 /nfs/dbraw/zinc/33/47/54/359334754.db2.gz FEMOGENPPBLSPT-NXEZZACHSA-N 2 2 213.325 0.134 20 0 BCADLP C[C@H](C(N)=O)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152488137 359334755 /nfs/dbraw/zinc/33/47/55/359334755.db2.gz FEMOGENPPBLSPT-NXEZZACHSA-N 2 2 213.325 0.134 20 0 BCADLP OC1(C[NH2+][C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000580423826 359538767 /nfs/dbraw/zinc/53/87/67/359538767.db2.gz AYPMWFCQQAGUCZ-JTQLQIEISA-N 2 2 221.304 0.703 20 0 BCADLP CC(C)C1CC([NH2+]C[C@@H]2C[NH2+]CCO2)C1 ZINC000423560127 192812674 /nfs/dbraw/zinc/81/26/74/192812674.db2.gz JMOGCBXMHMGHRK-MCIGGMRASA-N 2 2 212.337 0.999 20 0 BCADLP C[C@@H]([NH2+][C@@H](C)C[NH+](C)C)[C@H]1CCOC1 ZINC000379663298 359576486 /nfs/dbraw/zinc/57/64/86/359576486.db2.gz SLUJQTUAWCSIST-AXFHLTTASA-N 2 2 200.326 0.951 20 0 BCADLP Cc1cc[nH+]c(N2CC[N@@H+](CCO)C[C@H]2C)c1 ZINC000450953920 202319418 /nfs/dbraw/zinc/31/94/18/202319418.db2.gz MIJBTOOKRCPUNB-GFCCVEGCSA-N 2 2 235.331 0.893 20 0 BCADLP Cc1cc[nH+]c(N2CC[N@H+](CCO)C[C@H]2C)c1 ZINC000450953920 202319422 /nfs/dbraw/zinc/31/94/22/202319422.db2.gz MIJBTOOKRCPUNB-GFCCVEGCSA-N 2 2 235.331 0.893 20 0 BCADLP COC[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309118635 491145093 /nfs/dbraw/zinc/14/50/93/491145093.db2.gz SBLGEVYNVASZBA-ONGXEEELSA-N 2 2 216.325 0.066 20 0 BCADLP COC[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309118635 491145094 /nfs/dbraw/zinc/14/50/94/491145094.db2.gz SBLGEVYNVASZBA-ONGXEEELSA-N 2 2 216.325 0.066 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCOC2)n1C ZINC000087784504 359928741 /nfs/dbraw/zinc/92/87/41/359928741.db2.gz KUNPIPDBKKSKNI-SECBINFHSA-N 2 2 224.308 0.365 20 0 BCADLP Cc1cncc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000578740340 366634536 /nfs/dbraw/zinc/63/45/36/366634536.db2.gz CLNCVQISAVTJIY-CQSZACIVSA-N 2 2 249.358 0.935 20 0 BCADLP Cc1cncc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000578740340 366634543 /nfs/dbraw/zinc/63/45/43/366634543.db2.gz CLNCVQISAVTJIY-CQSZACIVSA-N 2 2 249.358 0.935 20 0 BCADLP CCCCNC(=O)CC[N@@H+]1CC[C@@H]([NH2+]C)C1 ZINC000430648467 192883632 /nfs/dbraw/zinc/88/36/32/192883632.db2.gz ZCUXMOGZWCZDGF-LLVKDONJSA-N 2 2 227.352 0.587 20 0 BCADLP CCCCNC(=O)CC[N@H+]1CC[C@@H]([NH2+]C)C1 ZINC000430648467 192883635 /nfs/dbraw/zinc/88/36/35/192883635.db2.gz ZCUXMOGZWCZDGF-LLVKDONJSA-N 2 2 227.352 0.587 20 0 BCADLP C[C@H](CCO)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000097439779 360371809 /nfs/dbraw/zinc/37/18/09/360371809.db2.gz HNUHVSYXPRHQDS-SNVBAGLBSA-N 2 2 240.351 0.594 20 0 BCADLP NC(=O)c1cccc(C[NH2+]CC2([NH3+])CCC2)c1 ZINC000342123521 181303982 /nfs/dbraw/zinc/30/39/82/181303982.db2.gz CILBABVMLHSLOO-UHFFFAOYSA-N 2 2 233.315 0.757 20 0 BCADLP Cn1nnc2cc(C[NH2+]C[C@H]3CCC[NH2+]3)ccc21 ZINC000414851122 200769998 /nfs/dbraw/zinc/76/99/98/200769998.db2.gz TXMGQPFTYROKJB-LLVKDONJSA-N 2 2 245.330 0.810 20 0 BCADLP [NH3+]C1(C[NH2+]Cc2ccccn2)CCOCC1 ZINC000629388884 361035156 /nfs/dbraw/zinc/03/51/56/361035156.db2.gz XWMJBFXTNBIJMO-UHFFFAOYSA-N 2 2 221.304 0.679 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1c[nH]nc1C ZINC000629389844 361036208 /nfs/dbraw/zinc/03/62/08/361036208.db2.gz BVQNYIJSESIHFA-WDEREUQCSA-N 2 2 208.309 0.948 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000423016466 200855265 /nfs/dbraw/zinc/85/52/65/200855265.db2.gz SZJLQRUXHJAYMR-IWSPIJDZSA-N 2 2 240.269 0.887 20 0 BCADLP CCn1cc[nH+]c1CN[C@@H]1CC[NH2+][C@H]1C ZINC000629406551 361052377 /nfs/dbraw/zinc/05/23/77/361052377.db2.gz NPQYAQDWPUGGBB-VHSXEESVSA-N 2 2 208.309 0.743 20 0 BCADLP FC(F)(F)Cn1cc[nH+]c1CN[C@@H]1CC[NH2+]C1 ZINC000629409306 361058449 /nfs/dbraw/zinc/05/84/49/361058449.db2.gz HBJKPUVGMQERPN-MRVPVSSYSA-N 2 2 248.252 0.897 20 0 BCADLP CCn1nnc(C)c1C[NH2+]CC1([NH3+])CCC1 ZINC000629518365 361117561 /nfs/dbraw/zinc/11/75/61/361117561.db2.gz HUEXQQVTIRXAEY-UHFFFAOYSA-N 2 2 223.324 0.577 20 0 BCADLP COc1cncc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000629521574 361118072 /nfs/dbraw/zinc/11/80/72/361118072.db2.gz VHKVFIKDVODSNY-ZJUUUORDSA-N 2 2 236.319 0.654 20 0 BCADLP COc1cncc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000629521574 361118074 /nfs/dbraw/zinc/11/80/74/361118074.db2.gz VHKVFIKDVODSNY-ZJUUUORDSA-N 2 2 236.319 0.654 20 0 BCADLP CCO[C@@H](C[N@@H+]1CCO[C@H](C[NH3+])C1)C1CC1 ZINC000629518819 361118526 /nfs/dbraw/zinc/11/85/26/361118526.db2.gz PPWABXIUUBDUDE-NEPJUHHUSA-N 2 2 228.336 0.461 20 0 BCADLP CCO[C@@H](C[N@H+]1CCO[C@H](C[NH3+])C1)C1CC1 ZINC000629518819 361118528 /nfs/dbraw/zinc/11/85/28/361118528.db2.gz PPWABXIUUBDUDE-NEPJUHHUSA-N 2 2 228.336 0.461 20 0 BCADLP COc1cncc(C[NH2+][C@@](C)(C[NH3+])C2CC2)n1 ZINC000629512450 361107695 /nfs/dbraw/zinc/10/76/95/361107695.db2.gz AILOUEZOOLPEPH-LBPRGKRZSA-N 2 2 236.319 0.702 20 0 BCADLP CCn1nnc(C)c1C[NH+]1CCC([NH3+])CC1 ZINC000629511183 361110427 /nfs/dbraw/zinc/11/04/27/361110427.db2.gz XAPXBFHDFNVORZ-UHFFFAOYSA-N 2 2 223.324 0.530 20 0 BCADLP COc1cncc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000629516562 361115151 /nfs/dbraw/zinc/11/51/51/361115151.db2.gz KNQYRUIQDVODKV-NXEZZACHSA-N 2 2 236.319 0.654 20 0 BCADLP COc1cncc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000629516562 361115156 /nfs/dbraw/zinc/11/51/56/361115156.db2.gz KNQYRUIQDVODKV-NXEZZACHSA-N 2 2 236.319 0.654 20 0 BCADLP Cn1cncc1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000578991378 366688458 /nfs/dbraw/zinc/68/84/58/366688458.db2.gz APGBXTGRUPXSRG-JTQLQIEISA-N 2 2 210.325 0.883 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000629527601 361134279 /nfs/dbraw/zinc/13/42/79/361134279.db2.gz AAVWYDRVKKAFAY-NOOOWODRSA-N 3 2 211.353 0.986 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000629528308 361135419 /nfs/dbraw/zinc/13/54/19/361135419.db2.gz WBSDWJOJBXEXBT-NOOOWODRSA-N 3 2 211.353 0.844 20 0 BCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000629532061 361151064 /nfs/dbraw/zinc/15/10/64/361151064.db2.gz JTHIQIDHAGACBT-NWDGAFQWSA-N 2 2 249.362 0.790 20 0 BCADLP CCn1nnc(C)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000629532061 361151065 /nfs/dbraw/zinc/15/10/65/361151065.db2.gz JTHIQIDHAGACBT-NWDGAFQWSA-N 2 2 249.362 0.790 20 0 BCADLP C[C@H]([NH2+]C[C@H]1COCCN1C)[C@@H]1CCCC[NH2+]1 ZINC000629532882 361155807 /nfs/dbraw/zinc/15/58/07/361155807.db2.gz XCRYUSCMWOXHGA-AVGNSLFASA-N 2 2 241.379 0.437 20 0 BCADLP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccnn1C ZINC000629522244 361123064 /nfs/dbraw/zinc/12/30/64/361123064.db2.gz YMSFFCJBVYHDPO-SNVBAGLBSA-N 2 2 238.335 0.579 20 0 BCADLP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccnn1C ZINC000629522243 361123189 /nfs/dbraw/zinc/12/31/89/361123189.db2.gz YMSFFCJBVYHDPO-JTQLQIEISA-N 2 2 238.335 0.579 20 0 BCADLP [NH3+]C1(C(=O)NCCn2cc[nH+]c2)CCCC1 ZINC000041051027 181326546 /nfs/dbraw/zinc/32/65/46/181326546.db2.gz GMKUVCPTKZGZDO-UHFFFAOYSA-N 2 2 222.292 0.271 20 0 BCADLP [NH3+]C1(C(=O)NCCCn2cc[nH+]c2)CCCC1 ZINC000037616119 181326361 /nfs/dbraw/zinc/32/63/61/181326361.db2.gz QSAPQDMMJYUPDM-UHFFFAOYSA-N 2 2 236.319 0.661 20 0 BCADLP COCC[N@@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000159320868 361229820 /nfs/dbraw/zinc/22/98/20/361229820.db2.gz PWCHZPWUDKJGNK-NXEZZACHSA-N 2 2 202.298 0.071 20 0 BCADLP COCC[N@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000159320868 361229828 /nfs/dbraw/zinc/22/98/28/361229828.db2.gz PWCHZPWUDKJGNK-NXEZZACHSA-N 2 2 202.298 0.071 20 0 BCADLP C[C@H](CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)n1cc[nH+]c1 ZINC000578996735 366689943 /nfs/dbraw/zinc/68/99/43/366689943.db2.gz GNYNYXPUEHMBPB-UTUOFQBUSA-N 2 2 248.330 0.655 20 0 BCADLP CC(=O)N1CC[C@@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000622044655 370677581 /nfs/dbraw/zinc/67/75/81/370677581.db2.gz OMQUOWISQDEEJJ-JLLWLGSASA-N 2 2 225.336 0.195 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000575007532 361320954 /nfs/dbraw/zinc/32/09/54/361320954.db2.gz DHHMDYVICKYUJA-NXEZZACHSA-N 2 2 234.303 0.098 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000575007532 361320962 /nfs/dbraw/zinc/32/09/62/361320962.db2.gz DHHMDYVICKYUJA-NXEZZACHSA-N 2 2 234.303 0.098 20 0 BCADLP COC[C@@H](C)C[N@@H+]1CC[NH2+]C[C@@](C)(F)C1 ZINC000579238783 366741661 /nfs/dbraw/zinc/74/16/61/366741661.db2.gz WWVDPJYENQNJQE-WDEREUQCSA-N 2 2 218.316 0.902 20 0 BCADLP COC[C@@H](C)C[N@H+]1CC[NH2+]C[C@@](C)(F)C1 ZINC000579238783 366741669 /nfs/dbraw/zinc/74/16/69/366741669.db2.gz WWVDPJYENQNJQE-WDEREUQCSA-N 2 2 218.316 0.902 20 0 BCADLP [NH3+]C1(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000353762960 181329557 /nfs/dbraw/zinc/32/95/57/181329557.db2.gz ZDEQGUVJXQSWNO-JTQLQIEISA-N 2 2 246.314 0.268 20 0 BCADLP CCC[N@H+](CC[C@@H]1CCC[NH+]1C)CC(N)=O ZINC000429120030 201068645 /nfs/dbraw/zinc/06/86/45/201068645.db2.gz BRQMJGCSLCDLCX-NSHDSACASA-N 2 2 227.352 0.668 20 0 BCADLP CCC[N@@H+](CC[C@@H]1CCC[NH+]1C)CC(N)=O ZINC000429120030 201068648 /nfs/dbraw/zinc/06/86/48/201068648.db2.gz BRQMJGCSLCDLCX-NSHDSACASA-N 2 2 227.352 0.668 20 0 BCADLP CCC[NH+](CC[C@@H]1CCC[N@@H+]1C)CC(N)=O ZINC000429120030 201068650 /nfs/dbraw/zinc/06/86/50/201068650.db2.gz BRQMJGCSLCDLCX-NSHDSACASA-N 2 2 227.352 0.668 20 0 BCADLP CCC[NH+](CC[C@@H]1CCC[N@H+]1C)CC(N)=O ZINC000429120030 201068652 /nfs/dbraw/zinc/06/86/52/201068652.db2.gz BRQMJGCSLCDLCX-NSHDSACASA-N 2 2 227.352 0.668 20 0 BCADLP C[C@H]1C[C@@H](O)CC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000429134344 201069825 /nfs/dbraw/zinc/06/98/25/201069825.db2.gz KOCIRJWAWFTRTL-DRZSPHRISA-N 2 2 242.363 0.287 20 0 BCADLP C[C@H]1C[C@@H](O)CC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000429134344 201069827 /nfs/dbraw/zinc/06/98/27/201069827.db2.gz KOCIRJWAWFTRTL-DRZSPHRISA-N 2 2 242.363 0.287 20 0 BCADLP C[C@H]1C[C@@H](O)CC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000429134344 201069830 /nfs/dbraw/zinc/06/98/30/201069830.db2.gz KOCIRJWAWFTRTL-DRZSPHRISA-N 2 2 242.363 0.287 20 0 BCADLP C[C@H]1C[C@@H](O)CC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000429134344 201069833 /nfs/dbraw/zinc/06/98/33/201069833.db2.gz KOCIRJWAWFTRTL-DRZSPHRISA-N 2 2 242.363 0.287 20 0 BCADLP [NH3+]C1(C[NH2+]CC(=O)N2CCCCCC2)CCC1 ZINC000342146417 181331306 /nfs/dbraw/zinc/33/13/06/181331306.db2.gz SUUBBCUQPQNFHD-UHFFFAOYSA-N 2 2 239.363 0.860 20 0 BCADLP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629540257 361398501 /nfs/dbraw/zinc/39/85/01/361398501.db2.gz OGMGCGJSBFGVKY-KSSYENDESA-N 3 2 241.379 0.469 20 0 BCADLP CCn1nnc(C)c1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000629536254 361398517 /nfs/dbraw/zinc/39/85/17/361398517.db2.gz FVDSLKDMJUKXMW-GHMZBOCLSA-N 2 2 237.351 0.966 20 0 BCADLP C[C@@H]([NH2+]CCOCCC[NH3+])[C@H]1CCCC[NH2+]1 ZINC000629536270 361398628 /nfs/dbraw/zinc/39/86/28/361398628.db2.gz FTYLBYBJFSKZPF-VXGBXAGGSA-N 3 2 229.368 0.472 20 0 BCADLP C/C=C/C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000629540548 361414149 /nfs/dbraw/zinc/41/41/49/361414149.db2.gz VIMXICWDHHHICE-LMZQTDFCSA-N 2 2 210.321 0.919 20 0 BCADLP [NH3+]CC1CCC([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000629545210 361425579 /nfs/dbraw/zinc/42/55/79/361425579.db2.gz KSCQLGYZKVSXEJ-WXRRBKDZSA-N 3 2 241.379 0.160 20 0 BCADLP [NH3+]CC1CCC([NH2+]CC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000629545210 361425580 /nfs/dbraw/zinc/42/55/80/361425580.db2.gz KSCQLGYZKVSXEJ-WXRRBKDZSA-N 3 2 241.379 0.160 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000629547226 361430373 /nfs/dbraw/zinc/43/03/73/361430373.db2.gz SCQVPUZYWFISCC-NNYUYHANSA-N 3 2 211.353 0.715 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000629547230 361430417 /nfs/dbraw/zinc/43/04/17/361430417.db2.gz SCQVPUZYWFISCC-WRWGMCAJSA-N 3 2 211.353 0.715 20 0 BCADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000629554682 361435904 /nfs/dbraw/zinc/43/59/04/361435904.db2.gz NDLIVJIMNJPYGU-ZYHUDNBSSA-N 3 2 234.347 0.861 20 0 BCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542529 361419197 /nfs/dbraw/zinc/41/91/97/361419197.db2.gz FKNUEPVADUJOBZ-OUAUKWLOSA-N 2 2 248.392 0.540 20 0 BCADLP CCCc1noc(C[N@H+](C)CCOCC[NH3+])n1 ZINC000629578289 361465162 /nfs/dbraw/zinc/46/51/62/361465162.db2.gz APOXXSNLYBTVCK-UHFFFAOYSA-N 2 2 242.323 0.429 20 0 BCADLP CCCc1noc(C[N@@H+](C)CCOCC[NH3+])n1 ZINC000629578289 361465164 /nfs/dbraw/zinc/46/51/64/361465164.db2.gz APOXXSNLYBTVCK-UHFFFAOYSA-N 2 2 242.323 0.429 20 0 BCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000629584209 361468885 /nfs/dbraw/zinc/46/88/85/361468885.db2.gz RKMVFRPBCZBNCV-MCIONIFRSA-N 3 2 237.391 0.917 20 0 BCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000629584209 361468891 /nfs/dbraw/zinc/46/88/91/361468891.db2.gz RKMVFRPBCZBNCV-MCIONIFRSA-N 3 2 237.391 0.917 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCO[C@H](CCF)C1 ZINC000629580952 361471645 /nfs/dbraw/zinc/47/16/45/361471645.db2.gz HFGSGMIFBPKPPB-GHMZBOCLSA-N 2 2 234.315 0.017 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCO[C@H](CCF)C1 ZINC000629580952 361471649 /nfs/dbraw/zinc/47/16/49/361471649.db2.gz HFGSGMIFBPKPPB-GHMZBOCLSA-N 2 2 234.315 0.017 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000430947341 201159891 /nfs/dbraw/zinc/15/98/91/201159891.db2.gz DIEQDKKLRJFHNZ-GFCCVEGCSA-N 2 2 239.363 0.444 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000430947341 201159894 /nfs/dbraw/zinc/15/98/94/201159894.db2.gz DIEQDKKLRJFHNZ-GFCCVEGCSA-N 2 2 239.363 0.444 20 0 BCADLP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430951675 201160140 /nfs/dbraw/zinc/16/01/40/201160140.db2.gz WCMALPVXCUHABN-LLVKDONJSA-N 2 2 248.392 0.480 20 0 BCADLP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430951675 201160143 /nfs/dbraw/zinc/16/01/43/201160143.db2.gz WCMALPVXCUHABN-LLVKDONJSA-N 2 2 248.392 0.480 20 0 BCADLP COC[C@@]1(C)C[N@H+](CCC[NH3+])CCO1 ZINC000629594959 361481737 /nfs/dbraw/zinc/48/17/37/361481737.db2.gz GUAQXDWYTNIJOV-SNVBAGLBSA-N 2 2 202.298 0.073 20 0 BCADLP COC[C@@]1(C)C[N@@H+](CCC[NH3+])CCO1 ZINC000629594959 361481741 /nfs/dbraw/zinc/48/17/41/361481741.db2.gz GUAQXDWYTNIJOV-SNVBAGLBSA-N 2 2 202.298 0.073 20 0 BCADLP COC[C@]1(C)C[N@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000629595179 361481960 /nfs/dbraw/zinc/48/19/60/361481960.db2.gz KRYJKIYMYXGQRT-OLZOCXBDSA-N 2 2 242.363 0.723 20 0 BCADLP COC[C@]1(C)C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000629595179 361481964 /nfs/dbraw/zinc/48/19/64/361481964.db2.gz KRYJKIYMYXGQRT-OLZOCXBDSA-N 2 2 242.363 0.723 20 0 BCADLP C[C@H]1CC[S@@](=O)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000433182894 201167139 /nfs/dbraw/zinc/16/71/39/201167139.db2.gz PKZYVQOKCBBMLB-MEDUHNTESA-N 2 2 241.360 0.726 20 0 BCADLP C[C@H]1CC[S@@](=O)CC[N@H+]1CCn1cc[nH+]c1 ZINC000433182894 201167142 /nfs/dbraw/zinc/16/71/42/201167142.db2.gz PKZYVQOKCBBMLB-MEDUHNTESA-N 2 2 241.360 0.726 20 0 BCADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)CC[S@](=O)C1 ZINC000433272555 201172984 /nfs/dbraw/zinc/17/29/84/201172984.db2.gz PPNVMDXXLABCOV-ZBEGNZNMSA-N 2 2 241.360 0.584 20 0 BCADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)CC[S@](=O)C1 ZINC000433272555 201172986 /nfs/dbraw/zinc/17/29/86/201172986.db2.gz PPNVMDXXLABCOV-ZBEGNZNMSA-N 2 2 241.360 0.584 20 0 BCADLP Cn1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000629654525 361558025 /nfs/dbraw/zinc/55/80/25/361558025.db2.gz QKJRGMSDKDWCEP-GFCCVEGCSA-N 2 2 222.336 0.100 20 0 BCADLP Cn1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000629654525 361558030 /nfs/dbraw/zinc/55/80/30/361558030.db2.gz QKJRGMSDKDWCEP-GFCCVEGCSA-N 2 2 222.336 0.100 20 0 BCADLP COCc1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)o1 ZINC000629648548 361540358 /nfs/dbraw/zinc/54/03/58/361540358.db2.gz QJKFIMLHVHQSLM-GFCCVEGCSA-N 2 2 240.303 0.504 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1=CCCOC1 ZINC000629649013 361543609 /nfs/dbraw/zinc/54/36/09/361543609.db2.gz DSFVDLXUCDVEAD-PWSUYJOCSA-N 2 2 210.321 0.921 20 0 BCADLP Cc1cnccc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000629649585 361544724 /nfs/dbraw/zinc/54/47/24/361544724.db2.gz WIMUOFMHOPRBEU-ZDUSSCGKSA-N 2 2 235.331 0.858 20 0 BCADLP COC[C@]1(C[NH2+]Cc2ccn(C)c2)CCC[NH2+]1 ZINC000629649688 361546120 /nfs/dbraw/zinc/54/61/20/361546120.db2.gz ZEDAAXOEDOFUDM-CYBMUJFWSA-N 2 2 237.347 0.883 20 0 BCADLP COC[C@]1(C)C[N@H+](C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000629673648 361596773 /nfs/dbraw/zinc/59/67/73/361596773.db2.gz AGJFNWSUXRAOFB-OLZOCXBDSA-N 2 2 242.363 0.723 20 0 BCADLP COC[C@]1(C)C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000629673648 361596778 /nfs/dbraw/zinc/59/67/78/361596778.db2.gz AGJFNWSUXRAOFB-OLZOCXBDSA-N 2 2 242.363 0.723 20 0 BCADLP COCCOCC[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000435231292 201257801 /nfs/dbraw/zinc/25/78/01/201257801.db2.gz UNVHHXHGQPWZEU-LBPRGKRZSA-N 2 2 228.336 0.476 20 0 BCADLP COCCOCC[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000435231292 201257804 /nfs/dbraw/zinc/25/78/04/201257804.db2.gz UNVHHXHGQPWZEU-LBPRGKRZSA-N 2 2 228.336 0.476 20 0 BCADLP [NH3+]C1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC000091843087 181341424 /nfs/dbraw/zinc/34/14/24/181341424.db2.gz URFRBCWEBRDXBL-UHFFFAOYSA-N 2 2 236.319 0.659 20 0 BCADLP C[C@H]1CSCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000070621647 361651040 /nfs/dbraw/zinc/65/10/40/361651040.db2.gz IEFOVABKVLLNMO-UWVGGRQHSA-N 2 2 216.350 0.412 20 0 BCADLP C[C@H]1CSCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000070621647 361651042 /nfs/dbraw/zinc/65/10/42/361651042.db2.gz IEFOVABKVLLNMO-UWVGGRQHSA-N 2 2 216.350 0.412 20 0 BCADLP C[NH2+]CCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000435878743 201292052 /nfs/dbraw/zinc/29/20/52/201292052.db2.gz FROFKINDPQJYTN-ZDUSSCGKSA-N 3 2 241.379 0.250 20 0 BCADLP C[NH2+]CCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000435878743 201292055 /nfs/dbraw/zinc/29/20/55/201292055.db2.gz FROFKINDPQJYTN-ZDUSSCGKSA-N 3 2 241.379 0.250 20 0 BCADLP C[NH2+]CCC[NH+]1CCN(Cc2ccon2)CC1 ZINC000435879382 201292125 /nfs/dbraw/zinc/29/21/25/201292125.db2.gz JXQDELJFQNITBG-UHFFFAOYSA-N 2 2 238.335 0.402 20 0 BCADLP C[NH2+]CCC[N@@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000435871032 201290736 /nfs/dbraw/zinc/29/07/36/201290736.db2.gz IQJKAHBODBDQRH-UHFFFAOYSA-N 2 2 241.379 0.927 20 0 BCADLP C[NH2+]CCC[N@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000435871032 201290739 /nfs/dbraw/zinc/29/07/39/201290739.db2.gz IQJKAHBODBDQRH-UHFFFAOYSA-N 2 2 241.379 0.927 20 0 BCADLP CCC[N@H+](CCC[NH2+]C)[C@H]1CCS(=O)(=O)C1 ZINC000435882842 201295817 /nfs/dbraw/zinc/29/58/17/201295817.db2.gz HCBLKRCVNWTLFV-NSHDSACASA-N 2 2 248.392 0.495 20 0 BCADLP CCC[N@@H+](CCC[NH2+]C)[C@H]1CCS(=O)(=O)C1 ZINC000435882842 201295819 /nfs/dbraw/zinc/29/58/19/201295819.db2.gz HCBLKRCVNWTLFV-NSHDSACASA-N 2 2 248.392 0.495 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437090971 201343728 /nfs/dbraw/zinc/34/37/28/201343728.db2.gz PWLZAWLOMIIXEL-LLVKDONJSA-N 2 2 241.379 0.927 20 0 BCADLP CC[C@H]1C[N@H+](CC(=O)OC)CC[C@@H]1[NH3+] ZINC000122836286 363887266 /nfs/dbraw/zinc/88/72/66/363887266.db2.gz CKSJTEGLCYDFQA-IUCAKERBSA-N 2 2 200.282 0.219 20 0 BCADLP CC[C@H]1C[N@@H+](CC(=O)OC)CC[C@@H]1[NH3+] ZINC000122836286 363887269 /nfs/dbraw/zinc/88/72/69/363887269.db2.gz CKSJTEGLCYDFQA-IUCAKERBSA-N 2 2 200.282 0.219 20 0 BCADLP C[NH+](C)C1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000614701048 363930874 /nfs/dbraw/zinc/93/08/74/363930874.db2.gz QGVCLDAHGIDHIC-SNVBAGLBSA-N 2 2 248.330 0.408 20 0 BCADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(N)=[NH2+])cc1 ZINC000630387163 364102328 /nfs/dbraw/zinc/10/23/28/364102328.db2.gz JAIZKANMYMFECD-LLVKDONJSA-N 2 2 248.330 0.753 20 0 BCADLP COc1ccc(C[N@H+]2CC[C@@H]2CNC(N)=[NH2+])cc1 ZINC000630387163 364102330 /nfs/dbraw/zinc/10/23/30/364102330.db2.gz JAIZKANMYMFECD-LLVKDONJSA-N 2 2 248.330 0.753 20 0 BCADLP Nc1[nH+]cnc(NC2CC[NH2+]CC2)c1Cl ZINC000630549825 364243690 /nfs/dbraw/zinc/24/36/90/364243690.db2.gz RABZUDIBJGYOIJ-UHFFFAOYSA-N 2 2 227.699 0.876 20 0 BCADLP Nc1nc[nH+]c(NC2CC[NH2+]CC2)c1Cl ZINC000630549825 364243693 /nfs/dbraw/zinc/24/36/93/364243693.db2.gz RABZUDIBJGYOIJ-UHFFFAOYSA-N 2 2 227.699 0.876 20 0 BCADLP Cc1nc(N2C[C@@H]3C[C@H]2C[NH2+]3)c(C)c(C)[nH+]1 ZINC000630553936 364248937 /nfs/dbraw/zinc/24/89/37/364248937.db2.gz NSWMQUIEXGSXEQ-QWRGUYRKSA-N 2 2 218.304 0.952 20 0 BCADLP CC[NH+]1CCC([NH2+]CCC[S@@](C)=O)CC1 ZINC000133898032 364377395 /nfs/dbraw/zinc/37/73/95/364377395.db2.gz XFVVIYOPMDHSCZ-HNNXBMFYSA-N 2 2 232.393 0.829 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1CCCC1=O ZINC000573330597 364793782 /nfs/dbraw/zinc/79/37/82/364793782.db2.gz ZJTPMHXIRHTKQY-MNOVXSKESA-N 2 2 225.336 0.149 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1CCCC1=O ZINC000573330597 364793790 /nfs/dbraw/zinc/79/37/90/364793790.db2.gz ZJTPMHXIRHTKQY-MNOVXSKESA-N 2 2 225.336 0.149 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1CCCC1=O ZINC000573330596 364794024 /nfs/dbraw/zinc/79/40/24/364794024.db2.gz ZJTPMHXIRHTKQY-GHMZBOCLSA-N 2 2 225.336 0.149 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1CCCC1=O ZINC000573330596 364794032 /nfs/dbraw/zinc/79/40/32/364794032.db2.gz ZJTPMHXIRHTKQY-GHMZBOCLSA-N 2 2 225.336 0.149 20 0 BCADLP CC(C)(C)[C@H](C[NH3+])NC(=O)CCn1cc[nH+]c1 ZINC000302247454 541377585 /nfs/dbraw/zinc/37/75/85/541377585.db2.gz BAWCFHJTGDTOEB-JTQLQIEISA-N 2 2 238.335 0.763 20 0 BCADLP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000328461720 364853697 /nfs/dbraw/zinc/85/36/97/364853697.db2.gz HLYZABZBROROIK-TUAOUCFPSA-N 2 2 212.337 0.831 20 0 BCADLP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000328461720 364853699 /nfs/dbraw/zinc/85/36/99/364853699.db2.gz HLYZABZBROROIK-TUAOUCFPSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@H](C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C)CS(C)(=O)=O ZINC000573383336 364818104 /nfs/dbraw/zinc/81/81/04/364818104.db2.gz QZLDORVCLRHKBG-MXWKQRLJSA-N 2 2 248.392 0.479 20 0 BCADLP C[C@H](C[N@H+]1CC[C@H]([NH3+])C[C@H]1C)CS(C)(=O)=O ZINC000573383336 364818110 /nfs/dbraw/zinc/81/81/10/364818110.db2.gz QZLDORVCLRHKBG-MXWKQRLJSA-N 2 2 248.392 0.479 20 0 BCADLP C[N@@H+]1CCN(C(=O)NCC(C)(C)C)[C@H](C[NH3+])C1 ZINC000573941835 364951989 /nfs/dbraw/zinc/95/19/89/364951989.db2.gz ZFNAAQKAAWXUMX-SNVBAGLBSA-N 2 2 242.367 0.317 20 0 BCADLP C[N@H+]1CCN(C(=O)NCC(C)(C)C)[C@H](C[NH3+])C1 ZINC000573941835 364951992 /nfs/dbraw/zinc/95/19/92/364951992.db2.gz ZFNAAQKAAWXUMX-SNVBAGLBSA-N 2 2 242.367 0.317 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC000573979072 364959712 /nfs/dbraw/zinc/95/97/12/364959712.db2.gz JKWJMUPOEMMGRF-GHMZBOCLSA-N 2 2 248.330 0.488 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC000573979072 364959719 /nfs/dbraw/zinc/95/97/19/364959719.db2.gz JKWJMUPOEMMGRF-GHMZBOCLSA-N 2 2 248.330 0.488 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC000573979074 364960574 /nfs/dbraw/zinc/96/05/74/364960574.db2.gz JKWJMUPOEMMGRF-QWRGUYRKSA-N 2 2 248.330 0.488 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC000573979074 364960582 /nfs/dbraw/zinc/96/05/82/364960582.db2.gz JKWJMUPOEMMGRF-QWRGUYRKSA-N 2 2 248.330 0.488 20 0 BCADLP CC[C@H](O)C[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000574083381 364983911 /nfs/dbraw/zinc/98/39/11/364983911.db2.gz AZZRAUHBBUDMAO-RYUDHWBXSA-N 2 2 230.352 0.194 20 0 BCADLP CC[C@H](O)C[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000574083381 364983915 /nfs/dbraw/zinc/98/39/15/364983915.db2.gz AZZRAUHBBUDMAO-RYUDHWBXSA-N 2 2 230.352 0.194 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000574173224 365003760 /nfs/dbraw/zinc/00/37/60/365003760.db2.gz DERJFRWHXVQUGU-JTQLQIEISA-N 2 2 237.307 0.288 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000574173224 365003762 /nfs/dbraw/zinc/00/37/62/365003762.db2.gz DERJFRWHXVQUGU-JTQLQIEISA-N 2 2 237.307 0.288 20 0 BCADLP CC(C)[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000574450758 365064015 /nfs/dbraw/zinc/06/40/15/365064015.db2.gz QOQRWTGQJWLDKS-UHFFFAOYSA-N 2 2 236.319 0.436 20 0 BCADLP O[C@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C(F)(F)F ZINC000574751330 365132201 /nfs/dbraw/zinc/13/22/01/365132201.db2.gz VSIOWGCQDUAHSE-HZGVNTEJSA-N 2 2 249.236 0.780 20 0 BCADLP O[C@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C(F)(F)F ZINC000574751330 365132204 /nfs/dbraw/zinc/13/22/04/365132204.db2.gz VSIOWGCQDUAHSE-HZGVNTEJSA-N 2 2 249.236 0.780 20 0 BCADLP Cc1cc(NC(=O)NC[C@@H]([NH3+])C2CC2)c(C)c[nH+]1 ZINC000574739433 365132609 /nfs/dbraw/zinc/13/26/09/365132609.db2.gz AUKJVWVJCQPBHX-LLVKDONJSA-N 2 2 248.330 0.979 20 0 BCADLP Cc1[nH+]ccn1CCNC(=O)c1coc(C[NH3+])c1 ZINC000444178819 193039756 /nfs/dbraw/zinc/03/97/56/193039756.db2.gz YAZXKFIFDCIDEF-UHFFFAOYSA-N 2 2 248.286 0.673 20 0 BCADLP CC[NH2+][C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000575325572 365291078 /nfs/dbraw/zinc/29/10/78/365291078.db2.gz OPGRDXHPPATPMP-GHMZBOCLSA-N 2 2 238.335 0.948 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000575393915 365307132 /nfs/dbraw/zinc/30/71/32/365307132.db2.gz DZMKACVOOZIADB-ZYHUDNBSSA-N 2 2 248.330 0.482 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000575393915 365307137 /nfs/dbraw/zinc/30/71/37/365307137.db2.gz DZMKACVOOZIADB-ZYHUDNBSSA-N 2 2 248.330 0.482 20 0 BCADLP COCCCNC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000575748698 365351962 /nfs/dbraw/zinc/35/19/62/365351962.db2.gz TZOYUFDNXWTIDW-GFCCVEGCSA-N 2 2 245.367 0.102 20 0 BCADLP COCC[NH2+]CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000579733114 366998280 /nfs/dbraw/zinc/99/82/80/366998280.db2.gz FHELTUBREYSTPC-GHMZBOCLSA-N 3 2 215.341 0.082 20 0 BCADLP COCC[NH2+]CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000579733116 366998721 /nfs/dbraw/zinc/99/87/21/366998721.db2.gz FHELTUBREYSTPC-QWRGUYRKSA-N 3 2 215.341 0.082 20 0 BCADLP [NH3+]Cc1noc([C@H]2[NH2+]CCc3ccccc32)n1 ZINC000579831789 367036177 /nfs/dbraw/zinc/03/61/77/367036177.db2.gz NOSWOTPYFQCXNZ-NSHDSACASA-N 2 2 230.271 0.763 20 0 BCADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000580762696 367066176 /nfs/dbraw/zinc/06/61/76/367066176.db2.gz AABJTQJDGZLEBZ-KOLCDFICSA-N 2 2 240.351 0.069 20 0 BCADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000580762696 367066181 /nfs/dbraw/zinc/06/61/81/367066181.db2.gz AABJTQJDGZLEBZ-KOLCDFICSA-N 2 2 240.351 0.069 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC=C(C)CC1 ZINC000580812105 367174429 /nfs/dbraw/zinc/17/44/29/367174429.db2.gz INJPDAHGNUFLLA-ZDUSSCGKSA-N 2 2 242.363 0.578 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC=C(C)CC1 ZINC000580812105 367174432 /nfs/dbraw/zinc/17/44/32/367174432.db2.gz INJPDAHGNUFLLA-ZDUSSCGKSA-N 2 2 242.363 0.578 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC=C(C)CC1 ZINC000580812105 367174436 /nfs/dbraw/zinc/17/44/36/367174436.db2.gz INJPDAHGNUFLLA-ZDUSSCGKSA-N 2 2 242.363 0.578 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC=C(C)CC1 ZINC000580812105 367174439 /nfs/dbraw/zinc/17/44/39/367174439.db2.gz INJPDAHGNUFLLA-ZDUSSCGKSA-N 2 2 242.363 0.578 20 0 BCADLP CSC[C@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000580948265 367213092 /nfs/dbraw/zinc/21/30/92/367213092.db2.gz NTDQZKIPSLNRCY-RKDXNWHRSA-N 2 2 241.360 0.581 20 0 BCADLP CSC[C@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000580948265 367213095 /nfs/dbraw/zinc/21/30/95/367213095.db2.gz NTDQZKIPSLNRCY-RKDXNWHRSA-N 2 2 241.360 0.581 20 0 BCADLP CC[NH2+][C@H](C)CNCc1[nH+]ccn1CC ZINC000581178698 367284283 /nfs/dbraw/zinc/28/42/83/367284283.db2.gz AIQDVAXVZZGERP-SNVBAGLBSA-N 2 2 210.325 0.991 20 0 BCADLP C[C@@H](CC(=O)NCC[NH+]1CCC1)n1cc[nH+]c1 ZINC000581315114 367344402 /nfs/dbraw/zinc/34/44/02/367344402.db2.gz QWKWFGDLMNTWKT-NSHDSACASA-N 2 2 236.319 0.656 20 0 BCADLP Cn1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000380763432 367299451 /nfs/dbraw/zinc/29/94/51/367299451.db2.gz WTNFWYJMRDGAKD-GHMZBOCLSA-N 2 2 220.320 0.461 20 0 BCADLP Cn1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000380763432 367299457 /nfs/dbraw/zinc/29/94/57/367299457.db2.gz WTNFWYJMRDGAKD-GHMZBOCLSA-N 2 2 220.320 0.461 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCCC[C@@H]2O)CCO1 ZINC000382039622 367481808 /nfs/dbraw/zinc/48/18/08/367481808.db2.gz HUYAVHZQTCPCJC-UTUOFQBUSA-N 2 2 228.336 0.197 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCCC[C@@H]2O)CCO1 ZINC000382039622 367481813 /nfs/dbraw/zinc/48/18/13/367481813.db2.gz HUYAVHZQTCPCJC-UTUOFQBUSA-N 2 2 228.336 0.197 20 0 BCADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCO)CC1 ZINC000581467085 367495165 /nfs/dbraw/zinc/49/51/65/367495165.db2.gz ZIUOPQKFDGLBHI-LLVKDONJSA-N 2 2 228.336 0.164 20 0 BCADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCO)CC1 ZINC000581467085 367495171 /nfs/dbraw/zinc/49/51/71/367495171.db2.gz ZIUOPQKFDGLBHI-LLVKDONJSA-N 2 2 228.336 0.164 20 0 BCADLP COC[C@](C)(O)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000382573120 367541875 /nfs/dbraw/zinc/54/18/75/367541875.db2.gz SOLATDBULHJTFL-GMXVVIOVSA-N 2 2 242.363 0.599 20 0 BCADLP COC[C@](C)(O)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000382573120 367541882 /nfs/dbraw/zinc/54/18/82/367541882.db2.gz SOLATDBULHJTFL-GMXVVIOVSA-N 2 2 242.363 0.599 20 0 BCADLP COC[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000382573118 367542606 /nfs/dbraw/zinc/54/26/06/367542606.db2.gz SOLATDBULHJTFL-DMDPSCGWSA-N 2 2 242.363 0.599 20 0 BCADLP COC[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000382573118 367542612 /nfs/dbraw/zinc/54/26/12/367542612.db2.gz SOLATDBULHJTFL-DMDPSCGWSA-N 2 2 242.363 0.599 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](SC)C1 ZINC000382924040 367566630 /nfs/dbraw/zinc/56/66/30/367566630.db2.gz IXJSTKQKIYBFAQ-MNOVXSKESA-N 2 2 232.393 0.736 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](SC)C1 ZINC000382924040 367566634 /nfs/dbraw/zinc/56/66/34/367566634.db2.gz IXJSTKQKIYBFAQ-MNOVXSKESA-N 2 2 232.393 0.736 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](SC)C1 ZINC000382924040 367566640 /nfs/dbraw/zinc/56/66/40/367566640.db2.gz IXJSTKQKIYBFAQ-MNOVXSKESA-N 2 2 232.393 0.736 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](SC)C1 ZINC000382924040 367566646 /nfs/dbraw/zinc/56/66/46/367566646.db2.gz IXJSTKQKIYBFAQ-MNOVXSKESA-N 2 2 232.393 0.736 20 0 BCADLP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000383115252 367598028 /nfs/dbraw/zinc/59/80/28/367598028.db2.gz FVRGMXQXARNEOT-VHSXEESVSA-N 2 2 236.319 0.528 20 0 BCADLP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C[C@H]1CCCO1 ZINC000383496670 367628991 /nfs/dbraw/zinc/62/89/91/367628991.db2.gz DITSTDFQDPSKHM-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C[C@@H](O)C[N@H+](C)CC)C[C@H]1CCCO1 ZINC000383496670 367628995 /nfs/dbraw/zinc/62/89/95/367628995.db2.gz DITSTDFQDPSKHM-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](CC)C[C@H]1CCCO1 ZINC000383496670 367628996 /nfs/dbraw/zinc/62/89/96/367628996.db2.gz DITSTDFQDPSKHM-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](CC)C[C@H]1CCCO1 ZINC000383496670 367628999 /nfs/dbraw/zinc/62/89/99/367628999.db2.gz DITSTDFQDPSKHM-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP CCn1cc[nH+]c1CN(C)C1CC([NH3+])C1 ZINC000384764586 367728782 /nfs/dbraw/zinc/72/87/82/367728782.db2.gz QTWQTXMRRNEYQL-UHFFFAOYSA-N 2 2 208.309 0.825 20 0 BCADLP C[C@@H]1[C@H](O)CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000384882148 367750459 /nfs/dbraw/zinc/75/04/59/367750459.db2.gz ISOWRDBCPQYHAY-RAIGVLPGSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@@H]1[C@H](O)CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000384882148 367750465 /nfs/dbraw/zinc/75/04/65/367750465.db2.gz ISOWRDBCPQYHAY-RAIGVLPGSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@@H]1[C@H](O)CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000384882148 367750469 /nfs/dbraw/zinc/75/04/69/367750469.db2.gz ISOWRDBCPQYHAY-RAIGVLPGSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@@H]1[C@H](O)CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000384882148 367750474 /nfs/dbraw/zinc/75/04/74/367750474.db2.gz ISOWRDBCPQYHAY-RAIGVLPGSA-N 2 2 242.363 0.287 20 0 BCADLP CCCCNC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000384892772 367751768 /nfs/dbraw/zinc/75/17/68/367751768.db2.gz UKZXOAWHHCAPMN-UHFFFAOYSA-N 2 2 213.325 0.324 20 0 BCADLP CCCCNC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000384892772 367751772 /nfs/dbraw/zinc/75/17/72/367751772.db2.gz UKZXOAWHHCAPMN-UHFFFAOYSA-N 2 2 213.325 0.324 20 0 BCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cn1cc[nH+]c1 ZINC000581794420 367828949 /nfs/dbraw/zinc/82/89/49/367828949.db2.gz DIKOZJNBEBMVHJ-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)Cn1cc[nH+]c1 ZINC000581794420 367828953 /nfs/dbraw/zinc/82/89/53/367828953.db2.gz DIKOZJNBEBMVHJ-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP CCN1C[C@@H]([NH2+]Cc2c[nH+]c(C)n2C)CC1=O ZINC000581835691 367840638 /nfs/dbraw/zinc/84/06/38/367840638.db2.gz HJVJWXPAVLNADY-JTQLQIEISA-N 2 2 236.319 0.439 20 0 BCADLP C[C@@H]1[C@H](CO)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000385620497 367848535 /nfs/dbraw/zinc/84/85/35/367848535.db2.gz GZHKQQAVFNJCOD-MNOVXSKESA-N 2 2 209.293 0.586 20 0 BCADLP C[C@@H]1[C@H](CO)CC[N@H+]1CCn1cc[nH+]c1 ZINC000385620497 367848543 /nfs/dbraw/zinc/84/85/43/367848543.db2.gz GZHKQQAVFNJCOD-MNOVXSKESA-N 2 2 209.293 0.586 20 0 BCADLP C[C@@H](CS(C)(=O)=O)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399171904 367850438 /nfs/dbraw/zinc/85/04/38/367850438.db2.gz ISHHQEQQGFUMSQ-KXUCPTDWSA-N 2 2 234.365 0.150 20 0 BCADLP C[C@H]([NH2+]CCNC(=O)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000386062269 367907057 /nfs/dbraw/zinc/90/70/57/367907057.db2.gz XONRHFYAZWWBIJ-CMPLNLGQSA-N 2 2 239.363 0.633 20 0 BCADLP C[N@@H+]1CCN(C(=O)CC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000087613528 367917494 /nfs/dbraw/zinc/91/74/94/367917494.db2.gz YXTKZNBJPSSSOB-JTQLQIEISA-N 2 2 227.352 0.524 20 0 BCADLP C[N@H+]1CCN(C(=O)CC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000087613528 367917498 /nfs/dbraw/zinc/91/74/98/367917498.db2.gz YXTKZNBJPSSSOB-JTQLQIEISA-N 2 2 227.352 0.524 20 0 BCADLP C[N@@H+]1CCN(Cc2cscn2)[C@H](C[NH3+])C1 ZINC000087613686 367920062 /nfs/dbraw/zinc/92/00/62/367920062.db2.gz CNXBLTMCGVQSFM-SNVBAGLBSA-N 2 2 226.349 0.218 20 0 BCADLP C[N@H+]1CCN(Cc2cscn2)[C@H](C[NH3+])C1 ZINC000087613686 367920066 /nfs/dbraw/zinc/92/00/66/367920066.db2.gz CNXBLTMCGVQSFM-SNVBAGLBSA-N 2 2 226.349 0.218 20 0 BCADLP CCN(C)C(=O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386622779 368003626 /nfs/dbraw/zinc/00/36/26/368003626.db2.gz YLDFWIBBGYFBJI-GHMZBOCLSA-N 2 2 227.352 0.585 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386624414 368003754 /nfs/dbraw/zinc/00/37/54/368003754.db2.gz YRQQXDJFDKZZCU-GARJFASQSA-N 2 2 227.352 0.631 20 0 BCADLP C[C@H]([NH2+]C[C@@H](O)C(F)F)[C@@H]1CCCC[NH2+]1 ZINC000386583992 367997486 /nfs/dbraw/zinc/99/74/86/367997486.db2.gz PORWTDXRAVNKRV-XHNCKOQMSA-N 2 2 222.279 0.733 20 0 BCADLP C[C@@H]([NH2+]CCOCCO)[C@@H]1CCCC[NH2+]1 ZINC000386607193 368000190 /nfs/dbraw/zinc/00/01/90/368000190.db2.gz VXWPGOXPQAUQLZ-MNOVXSKESA-N 2 2 216.325 0.116 20 0 BCADLP CC[C@@H]1[C@@H](CO)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000386358669 367957374 /nfs/dbraw/zinc/95/73/74/367957374.db2.gz ZCVVWANCONDSNR-VXGBXAGGSA-N 2 2 223.320 0.976 20 0 BCADLP CC[C@@H]1[C@@H](CO)CC[N@H+]1CCn1cc[nH+]c1 ZINC000386358669 367957375 /nfs/dbraw/zinc/95/73/75/367957375.db2.gz ZCVVWANCONDSNR-VXGBXAGGSA-N 2 2 223.320 0.976 20 0 BCADLP COCC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000581951777 368018807 /nfs/dbraw/zinc/01/88/07/368018807.db2.gz NCQJPGYJYFHICM-UHFFFAOYSA-N 2 2 230.352 0.458 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H](C)CC(N)=O)n1C ZINC000566631766 326068735 /nfs/dbraw/zinc/06/87/35/326068735.db2.gz XHJUSZWIXKKZHG-ZETCQYMHSA-N 2 2 210.281 0.082 20 0 BCADLP C[NH+](C)CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000066862217 368664299 /nfs/dbraw/zinc/66/42/99/368664299.db2.gz FPJCQYKHPHZYAE-UHFFFAOYSA-N 2 2 248.330 0.292 20 0 BCADLP OCCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069804833 368759445 /nfs/dbraw/zinc/75/94/45/368759445.db2.gz ZDZOWVIXJUCOGR-ZDUSSCGKSA-N 2 2 242.363 0.413 20 0 BCADLP OCCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069804833 368759447 /nfs/dbraw/zinc/75/94/47/368759447.db2.gz ZDZOWVIXJUCOGR-ZDUSSCGKSA-N 2 2 242.363 0.413 20 0 BCADLP CN(Cc1[nH+]ccn1C)C1(C[NH3+])CCC1 ZINC000086475163 368881415 /nfs/dbraw/zinc/88/14/15/368881415.db2.gz HARRRUJUIXAVCV-UHFFFAOYSA-N 2 2 208.309 0.733 20 0 BCADLP C[N@H+](C[C@H]1CCc2ncnn21)[C@H]1CC[NH2+]C1 ZINC000631822034 368974492 /nfs/dbraw/zinc/97/44/92/368974492.db2.gz QXZAUOXYKHYLNR-VHSXEESVSA-N 2 2 221.308 0.059 20 0 BCADLP C[N@@H+](C[C@H]1CCc2ncnn21)[C@H]1CC[NH2+]C1 ZINC000631822034 368974494 /nfs/dbraw/zinc/97/44/94/368974494.db2.gz QXZAUOXYKHYLNR-VHSXEESVSA-N 2 2 221.308 0.059 20 0 BCADLP CCn1ncnc1C[NH+]1CCC(C[NH2+]C)CC1 ZINC000088595183 368919395 /nfs/dbraw/zinc/91/93/95/368919395.db2.gz DLNIRCJQAWXSLX-UHFFFAOYSA-N 2 2 237.351 0.729 20 0 BCADLP Cc1nccnc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000631826429 368990219 /nfs/dbraw/zinc/99/02/19/368990219.db2.gz MZHXPRCLELCCNC-RYUDHWBXSA-N 2 2 232.331 0.969 20 0 BCADLP Cc1nccnc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000631826429 368990224 /nfs/dbraw/zinc/99/02/24/368990224.db2.gz MZHXPRCLELCCNC-RYUDHWBXSA-N 2 2 232.331 0.969 20 0 BCADLP CCOC(=O)CC[N@H+](C)CCc1c[nH+]cn1C ZINC000459328002 203257561 /nfs/dbraw/zinc/25/75/61/203257561.db2.gz PJBJXEFMMDCBPG-UHFFFAOYSA-N 2 2 239.319 0.848 20 0 BCADLP CCOC(=O)CC[N@@H+](C)CCc1c[nH+]cn1C ZINC000459328002 203257563 /nfs/dbraw/zinc/25/75/63/203257563.db2.gz PJBJXEFMMDCBPG-UHFFFAOYSA-N 2 2 239.319 0.848 20 0 BCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCc1ccco1 ZINC000107573600 369353782 /nfs/dbraw/zinc/35/37/82/369353782.db2.gz AKKXQUQHSFOZOI-PHIMTYICSA-N 2 2 249.314 0.047 20 0 BCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCc1ccco1 ZINC000107573600 369353786 /nfs/dbraw/zinc/35/37/86/369353786.db2.gz AKKXQUQHSFOZOI-PHIMTYICSA-N 2 2 249.314 0.047 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCO[C@H](CF)C1 ZINC000567747855 326254589 /nfs/dbraw/zinc/25/45/89/326254589.db2.gz BLMDZZRFEGZNRD-NWDGAFQWSA-N 2 2 248.342 0.359 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000631857203 369435444 /nfs/dbraw/zinc/43/54/44/369435444.db2.gz DYZFOQHDHLPBBQ-BXKDBHETSA-N 2 2 233.315 0.707 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000631857203 369435447 /nfs/dbraw/zinc/43/54/47/369435447.db2.gz DYZFOQHDHLPBBQ-BXKDBHETSA-N 2 2 233.315 0.707 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCCN1CCOCC1 ZINC000631860899 369469489 /nfs/dbraw/zinc/46/94/89/369469489.db2.gz RGPDRWNOHPSEHN-NWDGAFQWSA-N 2 2 227.352 0.130 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCCN1CCOCC1 ZINC000631860899 369469492 /nfs/dbraw/zinc/46/94/92/369469492.db2.gz RGPDRWNOHPSEHN-NWDGAFQWSA-N 2 2 227.352 0.130 20 0 BCADLP CCn1cc(CC[N@@H+]2C[C@H]([NH3+])C[C@H]2C)cn1 ZINC000631861493 369469717 /nfs/dbraw/zinc/46/97/17/369469717.db2.gz CMWNBVAFCWSXFN-ZYHUDNBSSA-N 2 2 222.336 0.867 20 0 BCADLP CCn1cc(CC[N@H+]2C[C@H]([NH3+])C[C@H]2C)cn1 ZINC000631861493 369469720 /nfs/dbraw/zinc/46/97/20/369469720.db2.gz CMWNBVAFCWSXFN-ZYHUDNBSSA-N 2 2 222.336 0.867 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631862016 369474981 /nfs/dbraw/zinc/47/49/81/369474981.db2.gz KGSUWZQXJCPKAQ-ZJUUUORDSA-N 2 2 213.325 0.276 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCOC1CCOCC1 ZINC000631862289 369504068 /nfs/dbraw/zinc/50/40/68/369504068.db2.gz NUSZGHFCFLYLMM-MNOVXSKESA-N 2 2 228.336 0.604 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCOC1CCOCC1 ZINC000631862289 369504070 /nfs/dbraw/zinc/50/40/70/369504070.db2.gz NUSZGHFCFLYLMM-MNOVXSKESA-N 2 2 228.336 0.604 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C(C)C)[C@H]1CCOC1 ZINC000567910586 326282021 /nfs/dbraw/zinc/28/20/21/326282021.db2.gz CKVJZERHWGYNTK-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C(C)C)[C@H]1CCOC1 ZINC000567910586 326282022 /nfs/dbraw/zinc/28/20/22/326282022.db2.gz CKVJZERHWGYNTK-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C(C)C)[C@H]1CCOC1 ZINC000567910586 326282024 /nfs/dbraw/zinc/28/20/24/326282024.db2.gz CKVJZERHWGYNTK-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000567910586 326282026 /nfs/dbraw/zinc/28/20/26/326282026.db2.gz CKVJZERHWGYNTK-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)OC)CC[C@H]1[NH3+] ZINC000251779317 369961383 /nfs/dbraw/zinc/96/13/83/369961383.db2.gz MZGHQOFADHJFOO-IVZWLZJFSA-N 2 2 214.309 0.607 20 0 BCADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)OC)CC[C@H]1[NH3+] ZINC000251779317 369961385 /nfs/dbraw/zinc/96/13/85/369961385.db2.gz MZGHQOFADHJFOO-IVZWLZJFSA-N 2 2 214.309 0.607 20 0 BCADLP C[C@H](NC(=O)C[NH+](C)C)c1[nH+]ccn1C ZINC000620596478 369948055 /nfs/dbraw/zinc/94/80/55/369948055.db2.gz RJRXJBLECQOKCK-QMMMGPOBSA-N 2 2 210.281 0.159 20 0 BCADLP CC(C)CNC(=O)[C@H](C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453259 370045158 /nfs/dbraw/zinc/04/51/58/370045158.db2.gz FOJZHXUJRFCZIO-SRVKXCTJSA-N 2 2 239.363 0.298 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000307853386 370054713 /nfs/dbraw/zinc/05/47/13/370054713.db2.gz APCOELZDBCUGBW-SNVBAGLBSA-N 2 2 236.319 0.530 20 0 BCADLP Cc1noc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000252868095 370138318 /nfs/dbraw/zinc/13/83/18/370138318.db2.gz RHCOBNMGNLQXJO-DCAQKATOSA-N 2 2 236.319 0.937 20 0 BCADLP Cc1noc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000252868095 370138323 /nfs/dbraw/zinc/13/83/23/370138323.db2.gz RHCOBNMGNLQXJO-DCAQKATOSA-N 2 2 236.319 0.937 20 0 BCADLP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000309831898 370265745 /nfs/dbraw/zinc/26/57/45/370265745.db2.gz YSQMRVKDWGGRMO-GRYCIOLGSA-N 3 2 211.353 0.655 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000309831898 370265750 /nfs/dbraw/zinc/26/57/50/370265750.db2.gz YSQMRVKDWGGRMO-GRYCIOLGSA-N 3 2 211.353 0.655 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H]1C(C)C ZINC000568247393 326333889 /nfs/dbraw/zinc/33/38/89/326333889.db2.gz LFZAKRYMXPCFKF-OLZOCXBDSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H]1C(C)C ZINC000568247393 326333890 /nfs/dbraw/zinc/33/38/90/326333890.db2.gz LFZAKRYMXPCFKF-OLZOCXBDSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H]1C(C)C ZINC000568247393 326333891 /nfs/dbraw/zinc/33/38/91/326333891.db2.gz LFZAKRYMXPCFKF-OLZOCXBDSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H]1C(C)C ZINC000568247393 326333892 /nfs/dbraw/zinc/33/38/92/326333892.db2.gz LFZAKRYMXPCFKF-OLZOCXBDSA-N 2 2 244.379 0.656 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH2+]CCOCC1CC1)C1CC1 ZINC000310392441 370343256 /nfs/dbraw/zinc/34/32/56/370343256.db2.gz LEYHSSOSDZGZIU-ZDUSSCGKSA-N 2 2 242.363 0.458 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCOCC1CC1)C1CC1 ZINC000310392441 370343258 /nfs/dbraw/zinc/34/32/58/370343258.db2.gz LEYHSSOSDZGZIU-ZDUSSCGKSA-N 2 2 242.363 0.458 20 0 BCADLP Cn1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)n1 ZINC000113552809 370428289 /nfs/dbraw/zinc/42/82/89/370428289.db2.gz YJVAYACIVUABCJ-NSHDSACASA-N 2 2 222.336 0.852 20 0 BCADLP Cn1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000113552809 370428291 /nfs/dbraw/zinc/42/82/91/370428291.db2.gz YJVAYACIVUABCJ-NSHDSACASA-N 2 2 222.336 0.852 20 0 BCADLP CCCNC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631870187 370410008 /nfs/dbraw/zinc/41/00/08/370410008.db2.gz HBGIWSYOPATILD-PWSUYJOCSA-N 2 2 225.336 0.244 20 0 BCADLP [NH3+][C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000621777299 370526169 /nfs/dbraw/zinc/52/61/69/370526169.db2.gz ABNXYQHTMGUWHA-AGIUHOORSA-N 3 2 223.364 0.799 20 0 BCADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000621777299 370526173 /nfs/dbraw/zinc/52/61/73/370526173.db2.gz ABNXYQHTMGUWHA-AGIUHOORSA-N 3 2 223.364 0.799 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCn1cncn1)C2 ZINC000621781951 370530065 /nfs/dbraw/zinc/53/00/65/370530065.db2.gz KJTKJQYDZPNEGO-MNOVXSKESA-N 2 2 221.308 0.091 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCn1cncn1)C2 ZINC000621781951 370530070 /nfs/dbraw/zinc/53/00/70/370530070.db2.gz KJTKJQYDZPNEGO-MNOVXSKESA-N 2 2 221.308 0.091 20 0 BCADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCN1CCCC1=O)C2 ZINC000621781173 370530367 /nfs/dbraw/zinc/53/03/67/370530367.db2.gz ZXIXBHDFSNEREV-DGCLKSJQSA-N 2 2 237.347 0.422 20 0 BCADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC000621781173 370530372 /nfs/dbraw/zinc/53/03/72/370530372.db2.gz ZXIXBHDFSNEREV-DGCLKSJQSA-N 2 2 237.347 0.422 20 0 BCADLP COCCOCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621782672 370532414 /nfs/dbraw/zinc/53/24/14/370532414.db2.gz RGIQYYPFHZFINX-VXGBXAGGSA-N 2 2 228.336 0.463 20 0 BCADLP COCCOCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621782672 370532417 /nfs/dbraw/zinc/53/24/17/370532417.db2.gz RGIQYYPFHZFINX-VXGBXAGGSA-N 2 2 228.336 0.463 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621782349 370532533 /nfs/dbraw/zinc/53/25/33/370532533.db2.gz PDRBVRZRFNZBCT-DGCLKSJQSA-N 2 2 239.363 0.668 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621782349 370532536 /nfs/dbraw/zinc/53/25/36/370532536.db2.gz PDRBVRZRFNZBCT-DGCLKSJQSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@H](O)CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000389962368 371181924 /nfs/dbraw/zinc/18/19/24/371181924.db2.gz WGQLKCYCVQGEFT-SCVCMEIPSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H](O)CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000389962368 371181929 /nfs/dbraw/zinc/18/19/29/371181929.db2.gz WGQLKCYCVQGEFT-SCVCMEIPSA-N 2 2 212.337 0.830 20 0 BCADLP COCCC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624228571 371417089 /nfs/dbraw/zinc/41/70/89/371417089.db2.gz VXAHTGSBHLIZCQ-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP COCCC[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624228571 371417094 /nfs/dbraw/zinc/41/70/94/371417094.db2.gz VXAHTGSBHLIZCQ-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624230741 371418622 /nfs/dbraw/zinc/41/86/22/371418622.db2.gz FTANRMSSLHKKLF-IJLUTSLNSA-N 2 2 212.337 0.831 20 0 BCADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624230741 371418627 /nfs/dbraw/zinc/41/86/27/371418627.db2.gz FTANRMSSLHKKLF-IJLUTSLNSA-N 2 2 212.337 0.831 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCCOCC2)C1 ZINC000624336691 371487090 /nfs/dbraw/zinc/48/70/90/371487090.db2.gz XFDBOWSKSLWGAW-NEPJUHHUSA-N 2 2 228.336 0.212 20 0 BCADLP O[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCOCC2)C1 ZINC000624336691 371487097 /nfs/dbraw/zinc/48/70/97/371487097.db2.gz XFDBOWSKSLWGAW-NEPJUHHUSA-N 2 2 228.336 0.212 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000624272840 371454267 /nfs/dbraw/zinc/45/42/67/371454267.db2.gz RDVOHWMEKHOVSO-QWRGUYRKSA-N 2 2 223.324 0.350 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000624272840 371454273 /nfs/dbraw/zinc/45/42/73/371454273.db2.gz RDVOHWMEKHOVSO-QWRGUYRKSA-N 2 2 223.324 0.350 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000132536039 371857678 /nfs/dbraw/zinc/85/76/78/371857678.db2.gz OIYXNIKQUJKSCD-DCAQKATOSA-N 2 2 228.336 0.997 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000132536039 371857686 /nfs/dbraw/zinc/85/76/86/371857686.db2.gz OIYXNIKQUJKSCD-DCAQKATOSA-N 2 2 228.336 0.997 20 0 BCADLP COc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000228073258 371986416 /nfs/dbraw/zinc/98/64/16/371986416.db2.gz ZTIRGPSSTGSKFQ-TXEJJXNPSA-N 2 2 233.315 0.741 20 0 BCADLP COc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000228073258 371986420 /nfs/dbraw/zinc/98/64/20/371986420.db2.gz ZTIRGPSSTGSKFQ-TXEJJXNPSA-N 2 2 233.315 0.741 20 0 BCADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3COC[C@@H]3O)n2c1 ZINC000631201203 372232251 /nfs/dbraw/zinc/23/22/51/372232251.db2.gz ODFBASZKGSCYIV-NEPJUHHUSA-N 2 2 247.298 0.492 20 0 BCADLP CC[C@@H]1[C@@H](C(=O)NCc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000631413194 372346758 /nfs/dbraw/zinc/34/67/58/372346758.db2.gz CWRLEITVIYSTJK-WDEREUQCSA-N 2 2 236.319 0.756 20 0 BCADLP CC[C@@H]1[C@@H](C(=O)NCc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000631413194 372346766 /nfs/dbraw/zinc/34/67/66/372346766.db2.gz CWRLEITVIYSTJK-WDEREUQCSA-N 2 2 236.319 0.756 20 0 BCADLP CC[C@@H]1[C@@H](C(=O)NCc2c[nH]c[nH+]2)CC[N@@H+]1C ZINC000631413194 372346769 /nfs/dbraw/zinc/34/67/69/372346769.db2.gz CWRLEITVIYSTJK-WDEREUQCSA-N 2 2 236.319 0.756 20 0 BCADLP CC[C@@H]1[C@@H](C(=O)NCc2c[nH]c[nH+]2)CC[N@H+]1C ZINC000631413194 372346775 /nfs/dbraw/zinc/34/67/75/372346775.db2.gz CWRLEITVIYSTJK-WDEREUQCSA-N 2 2 236.319 0.756 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCCC[C@@H]1O ZINC000631810886 372589267 /nfs/dbraw/zinc/58/92/67/372589267.db2.gz HHMJVPQJMCPFQY-KKOKHZNYSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCCC[C@@H]1O ZINC000631810886 372589271 /nfs/dbraw/zinc/58/92/71/372589271.db2.gz HHMJVPQJMCPFQY-KKOKHZNYSA-N 2 2 212.337 0.830 20 0 BCADLP [NH3+][C@@H]1CCC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631820944 372593453 /nfs/dbraw/zinc/59/34/53/372593453.db2.gz KVGZLTNZSHGYHT-ZJUUUORDSA-N 2 2 221.308 0.189 20 0 BCADLP [NH3+][C@@H]1CCC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631820944 372593458 /nfs/dbraw/zinc/59/34/58/372593458.db2.gz KVGZLTNZSHGYHT-ZJUUUORDSA-N 2 2 221.308 0.189 20 0 BCADLP C[NH2+][C@@H]1CCC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631821209 372594757 /nfs/dbraw/zinc/59/47/57/372594757.db2.gz RLZTWSSCHFKDRB-MNOVXSKESA-N 2 2 235.335 0.449 20 0 BCADLP C[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631821209 372594760 /nfs/dbraw/zinc/59/47/60/372594760.db2.gz RLZTWSSCHFKDRB-MNOVXSKESA-N 2 2 235.335 0.449 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1[NH3+] ZINC000631827752 372607977 /nfs/dbraw/zinc/60/79/77/372607977.db2.gz VYXCYFILWUSWSF-KXUCPTDWSA-N 2 2 221.308 0.044 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1[NH3+] ZINC000631827752 372607978 /nfs/dbraw/zinc/60/79/78/372607978.db2.gz VYXCYFILWUSWSF-KXUCPTDWSA-N 2 2 221.308 0.044 20 0 BCADLP C[NH2+]CCC[N@H+](C)Cc1nccnc1C ZINC000631828284 372609154 /nfs/dbraw/zinc/60/91/54/372609154.db2.gz KXDBKXPEHJQRKT-UHFFFAOYSA-N 2 2 208.309 0.826 20 0 BCADLP C[NH2+]CCC[N@@H+](C)Cc1nccnc1C ZINC000631828284 372609157 /nfs/dbraw/zinc/60/91/57/372609157.db2.gz KXDBKXPEHJQRKT-UHFFFAOYSA-N 2 2 208.309 0.826 20 0 BCADLP Cc1nccnc1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000631828642 372609533 /nfs/dbraw/zinc/60/95/33/372609533.db2.gz URJYMSCAHVTDHV-LLVKDONJSA-N 2 2 236.319 0.335 20 0 BCADLP Cc1nccnc1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000631828642 372609539 /nfs/dbraw/zinc/60/95/39/372609539.db2.gz URJYMSCAHVTDHV-LLVKDONJSA-N 2 2 236.319 0.335 20 0 BCADLP C[C@@H]1CC[N@H+](C[C@@H]2CCc3ncnn32)[C@H](C[NH3+])C1 ZINC000631829411 372611152 /nfs/dbraw/zinc/61/11/52/372611152.db2.gz PWKGCMQPQBTSCE-WOPDTQHZSA-N 2 2 249.362 0.825 20 0 BCADLP C[C@@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)[C@H](C[NH3+])C1 ZINC000631829411 372611157 /nfs/dbraw/zinc/61/11/57/372611157.db2.gz PWKGCMQPQBTSCE-WOPDTQHZSA-N 2 2 249.362 0.825 20 0 BCADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCN1CCCC1=O ZINC000631858937 372658517 /nfs/dbraw/zinc/65/85/17/372658517.db2.gz GNXFGGKEQUDYIC-UWVGGRQHSA-N 2 2 211.309 0.030 20 0 BCADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCN1CCCC1=O ZINC000631858937 372658520 /nfs/dbraw/zinc/65/85/20/372658520.db2.gz GNXFGGKEQUDYIC-UWVGGRQHSA-N 2 2 211.309 0.030 20 0 BCADLP CCc1nnc([C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)[nH]1 ZINC000631837642 372629142 /nfs/dbraw/zinc/62/91/42/372629142.db2.gz VJCWJBRALWDDHI-KXUCPTDWSA-N 2 2 237.351 0.955 20 0 BCADLP CCc1nnc([C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)[nH]1 ZINC000631837642 372629146 /nfs/dbraw/zinc/62/91/46/372629146.db2.gz VJCWJBRALWDDHI-KXUCPTDWSA-N 2 2 237.351 0.955 20 0 BCADLP Cc1cncc(C[NH+]2CCC([NH2+]CCO)CC2)c1 ZINC000631862403 372663658 /nfs/dbraw/zinc/66/36/58/372663658.db2.gz OYLGMQPJTWIITP-UHFFFAOYSA-N 2 2 249.358 0.936 20 0 BCADLP c1ncn(CC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)n1 ZINC000631867116 372668082 /nfs/dbraw/zinc/66/80/82/372668082.db2.gz JVZOGMBYCYWVCY-MNOVXSKESA-N 2 2 221.308 0.010 20 0 BCADLP O=C(C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)NCC1CC1 ZINC000631867244 372668441 /nfs/dbraw/zinc/66/84/41/372668441.db2.gz NKACUCUVSABZKG-YPMHNXCESA-N 2 2 237.347 0.244 20 0 BCADLP O=C(C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)N1CCCC1 ZINC000631868124 372671180 /nfs/dbraw/zinc/67/11/80/372671180.db2.gz XWDGQJNRBGGJJZ-YPMHNXCESA-N 2 2 237.347 0.341 20 0 BCADLP CC(C)CNC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631869038 372671771 /nfs/dbraw/zinc/67/17/71/372671771.db2.gz FEIROCSIOXESSF-YPMHNXCESA-N 2 2 239.363 0.490 20 0 BCADLP CC(C)NC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631869429 372672298 /nfs/dbraw/zinc/67/22/98/372672298.db2.gz LULFPOZRWOXCLT-PWSUYJOCSA-N 2 2 225.336 0.243 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631891070 372685773 /nfs/dbraw/zinc/68/57/73/372685773.db2.gz VUYBRZWKMAAZRC-FRRDWIJNSA-N 3 2 239.363 0.049 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631891070 372685778 /nfs/dbraw/zinc/68/57/78/372685778.db2.gz VUYBRZWKMAAZRC-FRRDWIJNSA-N 3 2 239.363 0.049 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000632928714 373225682 /nfs/dbraw/zinc/22/56/82/373225682.db2.gz TZDYSKRJZLSJGI-PHIMTYICSA-N 2 2 246.314 0.780 20 0 BCADLP O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368488085 182199070 /nfs/dbraw/zinc/19/90/70/182199070.db2.gz YGZUZKMDXFPTCC-DTWKUNHWSA-N 2 2 247.289 0.099 20 0 BCADLP O=C(NCCn1cc[nH+]c1)[C@H]1CC12CC[NH2+]CC2 ZINC000070255486 182216238 /nfs/dbraw/zinc/21/62/38/182216238.db2.gz SJRXANLWNGYGHL-LLVKDONJSA-N 2 2 248.330 0.389 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCCc2[nH+]ccn21 ZINC000354201534 182274646 /nfs/dbraw/zinc/27/46/46/182274646.db2.gz AVVQFTGWOLNFND-VIFPVBQESA-N 2 2 245.286 0.800 20 0 BCADLP O=C(NCc1cn2c([nH+]1)CCCC2)[C@H]1CC[NH2+]C1 ZINC000269257681 182268842 /nfs/dbraw/zinc/26/88/42/182268842.db2.gz UIVSKODIFODKCY-JTQLQIEISA-N 2 2 248.330 0.445 20 0 BCADLP C[C@@H]1CN(CC[NH2+]C(C)(C)C[NH+](C)C)CCO1 ZINC000459545781 206134195 /nfs/dbraw/zinc/13/41/95/206134195.db2.gz HDPBDVVTXKCDSI-GFCCVEGCSA-N 2 2 243.395 0.637 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163467532 170266706 /nfs/dbraw/zinc/26/67/06/170266706.db2.gz MOSOQWOWMIXGKD-UTLUCORTSA-N 2 2 214.309 0.607 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163467532 170266708 /nfs/dbraw/zinc/26/67/08/170266708.db2.gz MOSOQWOWMIXGKD-UTLUCORTSA-N 2 2 214.309 0.607 20 0 BCADLP OC[C@@]1(F)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000338628536 183133526 /nfs/dbraw/zinc/13/35/26/183133526.db2.gz VEQPVBMKRRLASI-SNVBAGLBSA-N 2 2 213.256 0.289 20 0 BCADLP OC[C@@]1(F)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000338628536 183133529 /nfs/dbraw/zinc/13/35/29/183133529.db2.gz VEQPVBMKRRLASI-SNVBAGLBSA-N 2 2 213.256 0.289 20 0 BCADLP OC[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000049752074 183149238 /nfs/dbraw/zinc/14/92/38/183149238.db2.gz AWZGDPHRCZKYIZ-LLVKDONJSA-N 2 2 209.293 0.730 20 0 BCADLP OC[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000049752074 183149239 /nfs/dbraw/zinc/14/92/39/183149239.db2.gz AWZGDPHRCZKYIZ-LLVKDONJSA-N 2 2 209.293 0.730 20 0 BCADLP O[C@@H]1CC[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000335283540 183204626 /nfs/dbraw/zinc/20/46/26/183204626.db2.gz MNCUEYGFOSMZTC-GHMZBOCLSA-N 2 2 217.272 0.947 20 0 BCADLP O[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000151919543 183240121 /nfs/dbraw/zinc/24/01/21/183240121.db2.gz TYHHRVKMMOCCEN-LBPRGKRZSA-N 2 2 244.298 0.834 20 0 BCADLP O[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000151919543 183240123 /nfs/dbraw/zinc/24/01/23/183240123.db2.gz TYHHRVKMMOCCEN-LBPRGKRZSA-N 2 2 244.298 0.834 20 0 BCADLP O[C@H]1C[N@H+](CCCn2cc[nH+]c2)CC12CC2 ZINC000364862490 183244300 /nfs/dbraw/zinc/24/43/00/183244300.db2.gz QTQDFZPMGYRQSR-NSHDSACASA-N 2 2 221.304 0.730 20 0 BCADLP O[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CC12CC2 ZINC000364862490 183244301 /nfs/dbraw/zinc/24/43/01/183244301.db2.gz QTQDFZPMGYRQSR-NSHDSACASA-N 2 2 221.304 0.730 20 0 BCADLP CCC[N@H+](CC)CC(=O)N1CC[NH+](C)CC1 ZINC000357320527 169121366 /nfs/dbraw/zinc/12/13/66/169121366.db2.gz NXWVTQMUSDATSX-UHFFFAOYSA-N 2 2 227.352 0.492 20 0 BCADLP CCC[N@@H+](CC)CC(=O)N1CC[NH+](C)CC1 ZINC000357320527 169121369 /nfs/dbraw/zinc/12/13/69/169121369.db2.gz NXWVTQMUSDATSX-UHFFFAOYSA-N 2 2 227.352 0.492 20 0 BCADLP CCC[N@H+](CCn1cccn1)[C@@H]1CC[NH2+]C1 ZINC000070903533 169170394 /nfs/dbraw/zinc/17/03/94/169170394.db2.gz FVVBEVZSBOEWJD-GFCCVEGCSA-N 2 2 222.336 0.957 20 0 BCADLP CCC[N@@H+](CCn1cccn1)[C@@H]1CC[NH2+]C1 ZINC000070903533 169170395 /nfs/dbraw/zinc/17/03/95/169170395.db2.gz FVVBEVZSBOEWJD-GFCCVEGCSA-N 2 2 222.336 0.957 20 0 BCADLP CCC[N@H+](CC[C@@H]1CCC[NH+]1C)CC(=O)NC ZINC000125200522 169170598 /nfs/dbraw/zinc/17/05/98/169170598.db2.gz IJQIXPHBLSDAEU-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP CCC[N@@H+](CC[C@@H]1CCC[NH+]1C)CC(=O)NC ZINC000125200522 169170600 /nfs/dbraw/zinc/17/06/00/169170600.db2.gz IJQIXPHBLSDAEU-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP CCC[NH+](CC[C@@H]1CCC[N@@H+]1C)CC(=O)NC ZINC000125200522 169170601 /nfs/dbraw/zinc/17/06/01/169170601.db2.gz IJQIXPHBLSDAEU-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP CCC[NH+](CC[C@@H]1CCC[N@H+]1C)CC(=O)NC ZINC000125200522 169170603 /nfs/dbraw/zinc/17/06/03/169170603.db2.gz IJQIXPHBLSDAEU-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP CCC[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000374744603 169187252 /nfs/dbraw/zinc/18/72/52/169187252.db2.gz SCMRTGTVOIWNRU-UHFFFAOYSA-N 2 2 239.363 0.635 20 0 BCADLP CCC[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000374744603 169187254 /nfs/dbraw/zinc/18/72/54/169187254.db2.gz SCMRTGTVOIWNRU-UHFFFAOYSA-N 2 2 239.363 0.635 20 0 BCADLP c1c[nH+]c(CN2CC[NH+]([C@@H]3CCOC3)CC2)[nH]1 ZINC000336720907 183325175 /nfs/dbraw/zinc/32/51/75/183325175.db2.gz YOTDLLWAOHREMG-LLVKDONJSA-N 2 2 236.319 0.316 20 0 BCADLP CCCNC(=O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000035135810 169226426 /nfs/dbraw/zinc/22/64/26/169226426.db2.gz AAXRIYMHAYPNMF-UHFFFAOYSA-N 2 2 241.379 0.975 20 0 BCADLP CCCNC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372990065 169221116 /nfs/dbraw/zinc/22/11/16/169221116.db2.gz NZMFSLWIHGZKNU-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP CCCNC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372990065 169221118 /nfs/dbraw/zinc/22/11/18/169221118.db2.gz NZMFSLWIHGZKNU-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP CCCNC(=O)[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000035010964 169242710 /nfs/dbraw/zinc/24/27/10/169242710.db2.gz CZJPKZMREGXEDH-LLVKDONJSA-N 2 2 241.379 0.975 20 0 BCADLP c1ccc(CC[NH2+][C@H]2CCC[NH2+]C2)nc1 ZINC000043324145 183394990 /nfs/dbraw/zinc/39/49/90/183394990.db2.gz PRXADSBANYKRRI-LBPRGKRZSA-N 2 2 205.305 0.966 20 0 BCADLP CCCS(=O)(=O)CC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000228658585 169329549 /nfs/dbraw/zinc/32/95/49/169329549.db2.gz GMLDPEWGLZKLPQ-WDEREUQCSA-N 2 2 248.392 0.480 20 0 BCADLP CCCS(=O)(=O)CC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000228658585 169329550 /nfs/dbraw/zinc/32/95/50/169329550.db2.gz GMLDPEWGLZKLPQ-WDEREUQCSA-N 2 2 248.392 0.480 20 0 BCADLP CCCS(=O)(=O)CC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226540264 169329756 /nfs/dbraw/zinc/32/97/56/169329756.db2.gz UPIMDDPTPOXXGI-GHMZBOCLSA-N 2 2 248.392 0.480 20 0 BCADLP CCCS(=O)(=O)CC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226540264 169329757 /nfs/dbraw/zinc/32/97/57/169329757.db2.gz UPIMDDPTPOXXGI-GHMZBOCLSA-N 2 2 248.392 0.480 20 0 BCADLP CCCS(=O)(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000226422352 169329878 /nfs/dbraw/zinc/32/98/78/169329878.db2.gz LWZZEQQVLQLXPZ-QWRGUYRKSA-N 2 2 248.392 0.480 20 0 BCADLP CCCS(=O)(=O)CC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000226422352 169329880 /nfs/dbraw/zinc/32/98/80/169329880.db2.gz LWZZEQQVLQLXPZ-QWRGUYRKSA-N 2 2 248.392 0.480 20 0 BCADLP CCC[C@@H](C)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000357305729 169364383 /nfs/dbraw/zinc/36/43/83/169364383.db2.gz KSJBQSBAVKFFDP-GFCCVEGCSA-N 2 2 241.379 0.881 20 0 BCADLP CCC[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000357305729 169364384 /nfs/dbraw/zinc/36/43/84/169364384.db2.gz KSJBQSBAVKFFDP-GFCCVEGCSA-N 2 2 241.379 0.881 20 0 BCADLP COC[C@H](O)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000223732455 134339015 /nfs/dbraw/zinc/33/90/15/134339015.db2.gz NPEFRPYVKBVGFZ-JFGNBEQYSA-N 2 2 228.336 0.209 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCCOCCO)C[N@@H+]1C1CC1 ZINC000227334830 134378304 /nfs/dbraw/zinc/37/83/04/134378304.db2.gz XZXXEHNCMIFCTM-VXGBXAGGSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCCOCCO)C[N@H+]1C1CC1 ZINC000227334830 134378305 /nfs/dbraw/zinc/37/83/05/134378305.db2.gz XZXXEHNCMIFCTM-VXGBXAGGSA-N 2 2 242.363 0.600 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000069626997 383834139 /nfs/dbraw/zinc/83/41/39/383834139.db2.gz VGUNYJDQKMCDLX-UTLUCORTSA-N 2 2 214.309 0.607 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000069626997 383834144 /nfs/dbraw/zinc/83/41/44/383834144.db2.gz VGUNYJDQKMCDLX-UTLUCORTSA-N 2 2 214.309 0.607 20 0 BCADLP C[N@@H+]1CCCC12CC[NH+]([C@H]1CCNC1=O)CC2 ZINC000336444609 383896867 /nfs/dbraw/zinc/89/68/67/383896867.db2.gz SJUDFOVYTAEGNZ-NSHDSACASA-N 2 2 237.347 0.435 20 0 BCADLP C[N@H+]1CCCC12CC[NH+]([C@H]1CCNC1=O)CC2 ZINC000336444609 383896875 /nfs/dbraw/zinc/89/68/75/383896875.db2.gz SJUDFOVYTAEGNZ-NSHDSACASA-N 2 2 237.347 0.435 20 0 BCADLP C[NH+](C)[C@H]1CCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000234251803 383939883 /nfs/dbraw/zinc/93/98/83/383939883.db2.gz XFMYDJYBUYWXCA-ZETCQYMHSA-N 2 2 241.726 0.853 20 0 BCADLP CCC[C@@](C)([NH3+])C(=O)NCc1[nH]cc[nH+]1 ZINC000070646724 383947098 /nfs/dbraw/zinc/94/70/98/383947098.db2.gz NOOPVHKWZOSDJB-SNVBAGLBSA-N 2 2 210.281 0.543 20 0 BCADLP CC[C@H](O)[C@H](CC)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000313159149 383973232 /nfs/dbraw/zinc/97/32/32/383973232.db2.gz OXYZPSMLVBYIAF-NDBYEHHHSA-N 2 2 244.379 0.893 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccncc1 ZINC000068802974 384016137 /nfs/dbraw/zinc/01/61/37/384016137.db2.gz ZRAMSRIDROFBPE-TZMCWYRMSA-N 2 2 248.374 0.978 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccncc1 ZINC000068802974 384016145 /nfs/dbraw/zinc/01/61/45/384016145.db2.gz ZRAMSRIDROFBPE-TZMCWYRMSA-N 2 2 248.374 0.978 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cccnc1 ZINC000068801963 384016334 /nfs/dbraw/zinc/01/63/34/384016334.db2.gz ZOFRQXZPASPMLO-TZMCWYRMSA-N 2 2 248.374 0.978 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cccnc1 ZINC000068801963 384016341 /nfs/dbraw/zinc/01/63/41/384016341.db2.gz ZOFRQXZPASPMLO-TZMCWYRMSA-N 2 2 248.374 0.978 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000401786862 384004333 /nfs/dbraw/zinc/00/43/33/384004333.db2.gz DUCBPEGWHFULMO-LLVKDONJSA-N 3 2 222.336 0.504 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000401786862 384004334 /nfs/dbraw/zinc/00/43/34/384004334.db2.gz DUCBPEGWHFULMO-LLVKDONJSA-N 3 2 222.336 0.504 20 0 BCADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)CC(N)=O ZINC000518565759 384014604 /nfs/dbraw/zinc/01/46/04/384014604.db2.gz LKYRUSRGHCMGDA-NWDGAFQWSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@H]([NH3+])CCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000069839341 384065891 /nfs/dbraw/zinc/06/58/91/384065891.db2.gz JMTVNTUTYACUBM-UWVGGRQHSA-N 2 2 224.308 0.515 20 0 BCADLP Nc1ccc(NC(=O)[C@H]2CCC[NH2+]2)c[nH+]1 ZINC000237859439 487528496 /nfs/dbraw/zinc/52/84/96/487528496.db2.gz UCEAFXGKULMVCQ-MRVPVSSYSA-N 2 2 206.249 0.354 20 0 BCADLP Cn1c[nH+]cc1CC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000401878346 384191931 /nfs/dbraw/zinc/19/19/31/384191931.db2.gz OVTMSZAYDORFAI-LBPRGKRZSA-N 3 2 236.363 0.940 20 0 BCADLP CC[N@H+](C)CC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000132879490 384217673 /nfs/dbraw/zinc/21/76/73/384217673.db2.gz DIISHNBPYQUYBO-GHMZBOCLSA-N 2 2 200.326 0.953 20 0 BCADLP CC[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000132879490 384217680 /nfs/dbraw/zinc/21/76/80/384217680.db2.gz DIISHNBPYQUYBO-GHMZBOCLSA-N 2 2 200.326 0.953 20 0 BCADLP CCOC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000082254415 384220880 /nfs/dbraw/zinc/22/08/80/384220880.db2.gz HKWZVNPEHIISAL-BBBLOLIVSA-N 2 2 212.293 0.089 20 0 BCADLP CCOC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000082254415 384220882 /nfs/dbraw/zinc/22/08/82/384220882.db2.gz HKWZVNPEHIISAL-BBBLOLIVSA-N 2 2 212.293 0.089 20 0 BCADLP Cc1cc(CNC(=O)[C@H](C)C[NH3+])cc(C)[nH+]1 ZINC000644164911 384243052 /nfs/dbraw/zinc/24/30/52/384243052.db2.gz GJTGVJATTYOHNO-MRVPVSSYSA-N 2 2 221.304 0.909 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)C1CC1 ZINC000082668974 384256801 /nfs/dbraw/zinc/25/68/01/384256801.db2.gz YUDUIEAZTXXOCT-PWSUYJOCSA-N 2 2 211.353 0.620 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC000082668974 384256806 /nfs/dbraw/zinc/25/68/06/384256806.db2.gz YUDUIEAZTXXOCT-PWSUYJOCSA-N 2 2 211.353 0.620 20 0 BCADLP Cc1noc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000228472408 384258848 /nfs/dbraw/zinc/25/88/48/384258848.db2.gz RHCOBNMGNLQXJO-HBNTYKKESA-N 2 2 236.319 0.937 20 0 BCADLP Cc1noc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000228472408 384258854 /nfs/dbraw/zinc/25/88/54/384258854.db2.gz RHCOBNMGNLQXJO-HBNTYKKESA-N 2 2 236.319 0.937 20 0 BCADLP CC[N@H+](C)CC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000132879290 384260816 /nfs/dbraw/zinc/26/08/16/384260816.db2.gz DIISHNBPYQUYBO-WDEREUQCSA-N 2 2 200.326 0.953 20 0 BCADLP CC[N@@H+](C)CC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000132879290 384260820 /nfs/dbraw/zinc/26/08/20/384260820.db2.gz DIISHNBPYQUYBO-WDEREUQCSA-N 2 2 200.326 0.953 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094572001 384305365 /nfs/dbraw/zinc/30/53/65/384305365.db2.gz CBXMKRWOMIVIMY-KOLCDFICSA-N 2 2 235.287 0.835 20 0 BCADLP CC[NH+](CC)CCNc1nc(C)[nH+]c(N)n1 ZINC000304418974 384283709 /nfs/dbraw/zinc/28/37/09/384283709.db2.gz DHPWUKKLPWYWQV-UHFFFAOYSA-N 2 2 224.312 0.516 20 0 BCADLP Cc1nc(NCC(C)(C)C[NH+](C)C)nc(N)[nH+]1 ZINC000302574711 384347427 /nfs/dbraw/zinc/34/74/27/384347427.db2.gz AULCBRCUEXRPHW-UHFFFAOYSA-N 2 2 238.339 0.762 20 0 BCADLP Cc1nc(N)nc(NCC(C)(C)C[NH+](C)C)[nH+]1 ZINC000302574711 384347432 /nfs/dbraw/zinc/34/74/32/384347432.db2.gz AULCBRCUEXRPHW-UHFFFAOYSA-N 2 2 238.339 0.762 20 0 BCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCCC1 ZINC000334178372 384374261 /nfs/dbraw/zinc/37/42/61/384374261.db2.gz AJRPQDDYFVKTQP-NWDGAFQWSA-N 2 2 237.347 0.150 20 0 BCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCCC1 ZINC000334178372 384374265 /nfs/dbraw/zinc/37/42/65/384374265.db2.gz AJRPQDDYFVKTQP-NWDGAFQWSA-N 2 2 237.347 0.150 20 0 BCADLP Cc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)nn1C ZINC000647509992 384361773 /nfs/dbraw/zinc/36/17/73/384361773.db2.gz VQUFFNXXOUTVGF-WDEREUQCSA-N 2 2 222.336 0.898 20 0 BCADLP Cc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)nn1C ZINC000647509992 384361778 /nfs/dbraw/zinc/36/17/78/384361778.db2.gz VQUFFNXXOUTVGF-WDEREUQCSA-N 2 2 222.336 0.898 20 0 BCADLP CCC[NH2+][C@@H](C)C(=O)NCc1[nH+]ccn1C ZINC000565537943 384426751 /nfs/dbraw/zinc/42/67/51/384426751.db2.gz NMXRMNHTUMHQJG-VIFPVBQESA-N 2 2 224.308 0.424 20 0 BCADLP Cc1c(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)cnn1C ZINC000335642761 384418604 /nfs/dbraw/zinc/41/86/04/384418604.db2.gz IIWWWWUTWZKBFP-JOYOIKCWSA-N 2 2 222.336 0.959 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)CCS(C)(=O)=O ZINC000120835770 384383794 /nfs/dbraw/zinc/38/37/94/384383794.db2.gz QYBDCFZWESDTSE-UHFFFAOYSA-N 2 2 245.348 0.250 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)CCS(C)(=O)=O ZINC000120835770 384383796 /nfs/dbraw/zinc/38/37/96/384383796.db2.gz QYBDCFZWESDTSE-UHFFFAOYSA-N 2 2 245.348 0.250 20 0 BCADLP C[C@H](O)C(C)(C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000144863142 384388365 /nfs/dbraw/zinc/38/83/65/384388365.db2.gz ZLRQTTCXUGAALS-VIFPVBQESA-N 2 2 240.351 0.735 20 0 BCADLP C[NH+](C)[C@H](CNC(N)=[NH2+])c1cccc(F)c1 ZINC000078716472 384456759 /nfs/dbraw/zinc/45/67/59/384456759.db2.gz SGJLQYPNNGQWBT-SNVBAGLBSA-N 2 2 224.283 0.911 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@]2(O)CCSC2)n1C ZINC000521371285 384427609 /nfs/dbraw/zinc/42/76/09/384427609.db2.gz BDPKOMJWEABXAC-LLVKDONJSA-N 2 2 241.360 0.686 20 0 BCADLP CC(C)[C@@](C)(C[NH3+])NC(=O)CCn1cc[nH+]c1 ZINC000122138513 384459941 /nfs/dbraw/zinc/45/99/41/384459941.db2.gz MEZYBCGOXDHAMW-GFCCVEGCSA-N 2 2 238.335 0.763 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCc1cnn(C)c1 ZINC000385210716 384464376 /nfs/dbraw/zinc/46/43/76/384464376.db2.gz WVXMULHIPUWVJB-MWLCHTKSSA-N 2 2 208.309 0.384 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCc1cnn(C)c1 ZINC000385210716 384464384 /nfs/dbraw/zinc/46/43/84/384464384.db2.gz WVXMULHIPUWVJB-MWLCHTKSSA-N 2 2 208.309 0.384 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCc1cnn(C)c1 ZINC000385210714 384464571 /nfs/dbraw/zinc/46/45/71/384464571.db2.gz WVXMULHIPUWVJB-GXSJLCMTSA-N 2 2 208.309 0.384 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCc1cnn(C)c1 ZINC000385210714 384464576 /nfs/dbraw/zinc/46/45/76/384464576.db2.gz WVXMULHIPUWVJB-GXSJLCMTSA-N 2 2 208.309 0.384 20 0 BCADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCc1cnn(C)c1 ZINC000385210717 384465510 /nfs/dbraw/zinc/46/55/10/384465510.db2.gz WVXMULHIPUWVJB-ONGXEEELSA-N 2 2 208.309 0.384 20 0 BCADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCc1cnn(C)c1 ZINC000385210717 384465514 /nfs/dbraw/zinc/46/55/14/384465514.db2.gz WVXMULHIPUWVJB-ONGXEEELSA-N 2 2 208.309 0.384 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136207719 384485708 /nfs/dbraw/zinc/48/57/08/384485708.db2.gz IKBUGRWSBCOWRQ-GFCCVEGCSA-N 2 2 236.319 0.569 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000122372322 384478606 /nfs/dbraw/zinc/47/86/06/384478606.db2.gz CBOYJPOJKZFCAP-NEPJUHHUSA-N 2 2 248.330 0.626 20 0 BCADLP [NH3+][C@@H]1CC[C@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000097092914 384497483 /nfs/dbraw/zinc/49/74/83/384497483.db2.gz VHBAGPUWGCMCNM-WDEREUQCSA-N 2 2 236.319 0.517 20 0 BCADLP CCC[C@@](C)([NH3+])C(=O)N1CC[NH+](C)CC1 ZINC000037481152 384504620 /nfs/dbraw/zinc/50/46/20/384504620.db2.gz LIUNWLSYWXZBJV-LLVKDONJSA-N 2 2 213.325 0.278 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150784445 384505696 /nfs/dbraw/zinc/50/56/96/384505696.db2.gz PVGBRRRRBOZFOL-VXGBXAGGSA-N 2 2 239.363 0.668 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150784445 384505701 /nfs/dbraw/zinc/50/57/01/384505701.db2.gz PVGBRRRRBOZFOL-VXGBXAGGSA-N 2 2 239.363 0.668 20 0 BCADLP [NH3+]C[C@H]1c2ccccc2CC[N@H+]1CCO ZINC000082640164 384515239 /nfs/dbraw/zinc/51/52/39/384515239.db2.gz ISUDOLMPVIUMJK-LBPRGKRZSA-N 2 2 206.289 0.537 20 0 BCADLP [NH3+]C[C@H]1c2ccccc2CC[N@@H+]1CCO ZINC000082640164 384515245 /nfs/dbraw/zinc/51/52/45/384515245.db2.gz ISUDOLMPVIUMJK-LBPRGKRZSA-N 2 2 206.289 0.537 20 0 BCADLP CC(C)CCOCC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000049265281 384527364 /nfs/dbraw/zinc/52/73/64/384527364.db2.gz LDSLRUKHIFMVQD-GFCCVEGCSA-N 2 2 230.352 0.709 20 0 BCADLP CC(C)CCOCC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000049265281 384527368 /nfs/dbraw/zinc/52/73/68/384527368.db2.gz LDSLRUKHIFMVQD-GFCCVEGCSA-N 2 2 230.352 0.709 20 0 BCADLP FC(F)COCC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643066237 384578225 /nfs/dbraw/zinc/57/82/25/384578225.db2.gz LURVDMWUALVRGY-NXEZZACHSA-N 2 2 234.290 0.952 20 0 BCADLP FC(F)COCC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643066237 384578231 /nfs/dbraw/zinc/57/82/31/384578231.db2.gz LURVDMWUALVRGY-NXEZZACHSA-N 2 2 234.290 0.952 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643065816 384580623 /nfs/dbraw/zinc/58/06/23/384580623.db2.gz GWDZSJLPSBUSGD-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643065816 384580628 /nfs/dbraw/zinc/58/06/28/384580628.db2.gz GWDZSJLPSBUSGD-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP CN1CC[C@H]([N@@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000116280939 384585751 /nfs/dbraw/zinc/58/57/51/384585751.db2.gz BVGMTMBDLPCJPS-MNOVXSKESA-N 2 2 225.336 0.101 20 0 BCADLP CN1CC[C@H]([N@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000116280939 384585754 /nfs/dbraw/zinc/58/57/54/384585754.db2.gz BVGMTMBDLPCJPS-MNOVXSKESA-N 2 2 225.336 0.101 20 0 BCADLP COCCCCC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000238332919 384563621 /nfs/dbraw/zinc/56/36/21/384563621.db2.gz RGDYHFNUJHDKQN-LLVKDONJSA-N 2 2 216.325 0.463 20 0 BCADLP COCCCCC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000238332919 384563627 /nfs/dbraw/zinc/56/36/27/384563627.db2.gz RGDYHFNUJHDKQN-LLVKDONJSA-N 2 2 216.325 0.463 20 0 BCADLP Cc1nnc(CC[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)s1 ZINC000309789844 384605213 /nfs/dbraw/zinc/60/52/13/384605213.db2.gz OYICCEALGKEFDK-WPRPVWTQSA-N 2 2 240.376 0.929 20 0 BCADLP Cc1nnc(CC[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)s1 ZINC000309789844 384605223 /nfs/dbraw/zinc/60/52/23/384605223.db2.gz OYICCEALGKEFDK-WPRPVWTQSA-N 2 2 240.376 0.929 20 0 BCADLP CC(C)[C@@H]([NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000020506375 384620326 /nfs/dbraw/zinc/62/03/26/384620326.db2.gz GMBAOBVLOVGQPX-SNVBAGLBSA-N 2 2 224.308 0.373 20 0 BCADLP COC[C@@H](O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000050120763 384593787 /nfs/dbraw/zinc/59/37/87/384593787.db2.gz ZZIIGXWJKNSMAX-NSHDSACASA-N 2 2 227.308 0.212 20 0 BCADLP COC[C@@H](O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000050120763 384593794 /nfs/dbraw/zinc/59/37/94/384593794.db2.gz ZZIIGXWJKNSMAX-NSHDSACASA-N 2 2 227.308 0.212 20 0 BCADLP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000309834249 384654489 /nfs/dbraw/zinc/65/44/89/384654489.db2.gz ZPVRRABXMGMMRU-AXFHLTTASA-N 2 2 221.304 0.965 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647231416 384658067 /nfs/dbraw/zinc/65/80/67/384658067.db2.gz XXCSVRGBVRXZAC-GHMZBOCLSA-N 2 2 237.351 0.287 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647231416 384658069 /nfs/dbraw/zinc/65/80/69/384658069.db2.gz XXCSVRGBVRXZAC-GHMZBOCLSA-N 2 2 237.351 0.287 20 0 BCADLP C[NH2+]CCC(=O)NCCCCn1cc[nH+]c1 ZINC000045109238 384662062 /nfs/dbraw/zinc/66/20/62/384662062.db2.gz HIHSBHNZVPXXDZ-UHFFFAOYSA-N 2 2 224.308 0.389 20 0 BCADLP CNC(=O)C[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316071352 384725359 /nfs/dbraw/zinc/72/53/59/384725359.db2.gz HOCCZSYDAOKOPR-BBBLOLIVSA-N 2 2 213.325 0.180 20 0 BCADLP CNC(=O)C[N@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316071352 384725368 /nfs/dbraw/zinc/72/53/68/384725368.db2.gz HOCCZSYDAOKOPR-BBBLOLIVSA-N 2 2 213.325 0.180 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000335913179 384677957 /nfs/dbraw/zinc/67/79/57/384677957.db2.gz LUXOCCXWWAHKNI-ONGXEEELSA-N 2 2 212.293 0.233 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000335913179 384677960 /nfs/dbraw/zinc/67/79/60/384677960.db2.gz LUXOCCXWWAHKNI-ONGXEEELSA-N 2 2 212.293 0.233 20 0 BCADLP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)nn1C ZINC000647542322 384706100 /nfs/dbraw/zinc/70/61/00/384706100.db2.gz TWKXAGGTIPLCHZ-YPMHNXCESA-N 2 2 234.347 0.912 20 0 BCADLP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)nn1C ZINC000647542322 384706107 /nfs/dbraw/zinc/70/61/07/384706107.db2.gz TWKXAGGTIPLCHZ-YPMHNXCESA-N 2 2 234.347 0.912 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866432 384711364 /nfs/dbraw/zinc/71/13/64/384711364.db2.gz FZGOVAJNCUHDAW-VHSXEESVSA-N 2 2 236.319 0.473 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866432 384711371 /nfs/dbraw/zinc/71/13/71/384711371.db2.gz FZGOVAJNCUHDAW-VHSXEESVSA-N 2 2 236.319 0.473 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000647547124 384736048 /nfs/dbraw/zinc/73/60/48/384736048.db2.gz OHRLHLDDSJWGNA-NNYUYHANSA-N 3 2 211.353 0.844 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000647547122 384737509 /nfs/dbraw/zinc/73/75/09/384737509.db2.gz OHRLHLDDSJWGNA-FIQHERPVSA-N 3 2 211.353 0.844 20 0 BCADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC000054860826 384742841 /nfs/dbraw/zinc/74/28/41/384742841.db2.gz GALOXMHBBCQKKT-NSHDSACASA-N 2 2 237.351 0.635 20 0 BCADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC000054860826 384742846 /nfs/dbraw/zinc/74/28/46/384742846.db2.gz GALOXMHBBCQKKT-NSHDSACASA-N 2 2 237.351 0.635 20 0 BCADLP CC(C)N1CC[C@@H]([NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)C1=O ZINC000647549795 384747464 /nfs/dbraw/zinc/74/74/64/384747464.db2.gz RABVJVMFTKLZOL-SDDRHHMPSA-N 2 2 239.363 0.583 20 0 BCADLP [NH3+]CCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000107213586 384779792 /nfs/dbraw/zinc/77/97/92/384779792.db2.gz OXZXDVBXTHXENP-GFCCVEGCSA-N 3 2 211.353 0.753 20 0 BCADLP [NH3+]CCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000107213586 384779797 /nfs/dbraw/zinc/77/97/97/384779797.db2.gz OXZXDVBXTHXENP-GFCCVEGCSA-N 3 2 211.353 0.753 20 0 BCADLP Cc1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)o1 ZINC000125909575 384760248 /nfs/dbraw/zinc/76/02/48/384760248.db2.gz FPZIVQHJDQBRMS-LBPRGKRZSA-N 2 2 226.320 0.990 20 0 BCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC000647550987 384765210 /nfs/dbraw/zinc/76/52/10/384765210.db2.gz RKOUNYNKHVINDZ-VWYCJHECSA-N 2 2 248.392 0.397 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(CO)CC1)C1CC1 ZINC000310081295 384822382 /nfs/dbraw/zinc/82/23/82/384822382.db2.gz DAHDPCSVTXIDBQ-ZDUSSCGKSA-N 2 2 242.363 0.146 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(CO)CC1)C1CC1 ZINC000310081295 384822393 /nfs/dbraw/zinc/82/23/93/384822393.db2.gz DAHDPCSVTXIDBQ-ZDUSSCGKSA-N 2 2 242.363 0.146 20 0 BCADLP C[C@H](C[NH3+])C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000054339127 384832738 /nfs/dbraw/zinc/83/27/38/384832738.db2.gz ZDXYBISBNPWBNG-SECBINFHSA-N 2 2 245.286 0.801 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1cnc(C)s1 ZINC000518199588 384793039 /nfs/dbraw/zinc/79/30/39/384793039.db2.gz BIIBUJPVELKPHR-NSHDSACASA-N 2 2 243.376 0.854 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1cnc(C)s1 ZINC000518199588 384793042 /nfs/dbraw/zinc/79/30/42/384793042.db2.gz BIIBUJPVELKPHR-NSHDSACASA-N 2 2 243.376 0.854 20 0 BCADLP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C[C@@H](C)OC ZINC000361557469 384810415 /nfs/dbraw/zinc/81/04/15/384810415.db2.gz AIFSCRIMCZQBAB-YPMHNXCESA-N 2 2 244.379 0.798 20 0 BCADLP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C[C@@H](C)OC ZINC000361557469 384810421 /nfs/dbraw/zinc/81/04/21/384810421.db2.gz AIFSCRIMCZQBAB-YPMHNXCESA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C[C@@H](C)OC ZINC000361557469 384810428 /nfs/dbraw/zinc/81/04/28/384810428.db2.gz AIFSCRIMCZQBAB-YPMHNXCESA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C[C@@H](C)OC ZINC000361557469 384810434 /nfs/dbraw/zinc/81/04/34/384810434.db2.gz AIFSCRIMCZQBAB-YPMHNXCESA-N 2 2 244.379 0.798 20 0 BCADLP C[C@@H](CNCc1[nH+]ccn1C)[N@H+](C)C1CC1 ZINC000163903306 384871516 /nfs/dbraw/zinc/87/15/16/384871516.db2.gz LKDFBLYHKRINAQ-JTQLQIEISA-N 2 2 222.336 0.992 20 0 BCADLP C[C@@H](CNCc1[nH+]ccn1C)[N@@H+](C)C1CC1 ZINC000163903306 384871520 /nfs/dbraw/zinc/87/15/20/384871520.db2.gz LKDFBLYHKRINAQ-JTQLQIEISA-N 2 2 222.336 0.992 20 0 BCADLP C[NH2+][C@@H](C)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000517757894 384873897 /nfs/dbraw/zinc/87/38/97/384873897.db2.gz WOYMQVIJYCTDDK-VIFPVBQESA-N 2 2 236.319 0.724 20 0 BCADLP C[NH2+][C@@H](C)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000517757894 384873901 /nfs/dbraw/zinc/87/39/01/384873901.db2.gz WOYMQVIJYCTDDK-VIFPVBQESA-N 2 2 236.319 0.724 20 0 BCADLP C[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000127212685 384846310 /nfs/dbraw/zinc/84/63/10/384846310.db2.gz HEMLMDNVSACFGD-GMTAPVOTSA-N 2 2 212.337 0.972 20 0 BCADLP C[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000127212685 384846313 /nfs/dbraw/zinc/84/63/13/384846313.db2.gz HEMLMDNVSACFGD-GMTAPVOTSA-N 2 2 212.337 0.972 20 0 BCADLP O=C1OCC[C@]12CCC[N@@H+]2CCn1cc[nH+]c1 ZINC000186681034 384868148 /nfs/dbraw/zinc/86/81/48/384868148.db2.gz IOODHUFSGNKXQJ-GFCCVEGCSA-N 2 2 235.287 0.665 20 0 BCADLP O=C1OCC[C@]12CCC[N@H+]2CCn1cc[nH+]c1 ZINC000186681034 384868155 /nfs/dbraw/zinc/86/81/55/384868155.db2.gz IOODHUFSGNKXQJ-GFCCVEGCSA-N 2 2 235.287 0.665 20 0 BCADLP CC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1CCOC ZINC000644546369 384953546 /nfs/dbraw/zinc/95/35/46/384953546.db2.gz DNKUWJHTOGHTOI-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP CC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1CCOC ZINC000644546369 384953550 /nfs/dbraw/zinc/95/35/50/384953550.db2.gz DNKUWJHTOGHTOI-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH+](C)C ZINC000557466801 384957167 /nfs/dbraw/zinc/95/71/67/384957167.db2.gz KKBXCSZWECFUSV-SNVBAGLBSA-N 2 2 224.308 0.197 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407319840 384899351 /nfs/dbraw/zinc/89/93/51/384899351.db2.gz VRZGOCCBIRCROR-WDEREUQCSA-N 2 2 248.330 0.899 20 0 BCADLP CCOc1ccccc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000310227060 384915712 /nfs/dbraw/zinc/91/57/12/384915712.db2.gz GKPVNNRXMOFHRU-GFCCVEGCSA-N 2 2 238.331 0.837 20 0 BCADLP CCOc1ccccc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000310227060 384915719 /nfs/dbraw/zinc/91/57/19/384915719.db2.gz GKPVNNRXMOFHRU-GFCCVEGCSA-N 2 2 238.331 0.837 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000257744928 384923967 /nfs/dbraw/zinc/92/39/67/384923967.db2.gz DQVWIRSTXWFLEH-RYUDHWBXSA-N 2 2 227.352 0.130 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000257744928 384923973 /nfs/dbraw/zinc/92/39/73/384923973.db2.gz DQVWIRSTXWFLEH-RYUDHWBXSA-N 2 2 227.352 0.130 20 0 BCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccccc1F ZINC000258826693 384938694 /nfs/dbraw/zinc/93/86/94/384938694.db2.gz CUPCQEJJQOWETK-LBPRGKRZSA-N 2 2 237.322 0.819 20 0 BCADLP C[NH2+]CCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000258815911 384939761 /nfs/dbraw/zinc/93/97/61/384939761.db2.gz TVMLZNHWYUETET-LBPRGKRZSA-N 3 2 213.369 0.870 20 0 BCADLP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCOC1 ZINC000310280992 384939883 /nfs/dbraw/zinc/93/98/83/384939883.db2.gz POHDBYPEHLQMCF-CHWSQXEVSA-N 2 2 242.363 0.552 20 0 BCADLP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCOC1 ZINC000310280992 384939886 /nfs/dbraw/zinc/93/98/86/384939886.db2.gz POHDBYPEHLQMCF-CHWSQXEVSA-N 2 2 242.363 0.552 20 0 BCADLP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000310280992 384939893 /nfs/dbraw/zinc/93/98/93/384939893.db2.gz POHDBYPEHLQMCF-CHWSQXEVSA-N 2 2 242.363 0.552 20 0 BCADLP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000310280992 384939899 /nfs/dbraw/zinc/93/98/99/384939899.db2.gz POHDBYPEHLQMCF-CHWSQXEVSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH2+]CCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000258815911 384939768 /nfs/dbraw/zinc/93/97/68/384939768.db2.gz TVMLZNHWYUETET-LBPRGKRZSA-N 3 2 213.369 0.870 20 0 BCADLP C[NH2+]CCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000258815911 384939778 /nfs/dbraw/zinc/93/97/78/384939778.db2.gz TVMLZNHWYUETET-LBPRGKRZSA-N 3 2 213.369 0.870 20 0 BCADLP C[NH2+]CCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000258815911 384939783 /nfs/dbraw/zinc/93/97/83/384939783.db2.gz TVMLZNHWYUETET-LBPRGKRZSA-N 3 2 213.369 0.870 20 0 BCADLP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H]1CCOC1 ZINC000310280993 384940479 /nfs/dbraw/zinc/94/04/79/384940479.db2.gz POHDBYPEHLQMCF-OLZOCXBDSA-N 2 2 242.363 0.552 20 0 BCADLP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H]1CCOC1 ZINC000310280993 384940482 /nfs/dbraw/zinc/94/04/82/384940482.db2.gz POHDBYPEHLQMCF-OLZOCXBDSA-N 2 2 242.363 0.552 20 0 BCADLP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000310280993 384940489 /nfs/dbraw/zinc/94/04/89/384940489.db2.gz POHDBYPEHLQMCF-OLZOCXBDSA-N 2 2 242.363 0.552 20 0 BCADLP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000310280993 384940493 /nfs/dbraw/zinc/94/04/93/384940493.db2.gz POHDBYPEHLQMCF-OLZOCXBDSA-N 2 2 242.363 0.552 20 0 BCADLP Cc1ccccc1C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000258824707 384941578 /nfs/dbraw/zinc/94/15/78/384941578.db2.gz CPKCVFVKWNMCON-CQSZACIVSA-N 2 2 233.359 0.988 20 0 BCADLP COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000258797002 384944151 /nfs/dbraw/zinc/94/41/51/384944151.db2.gz AEXXJPJGERYEKZ-CYBMUJFWSA-N 2 2 236.315 0.773 20 0 BCADLP CC[N@H+](C)CC[NH2+][C@@H](COC)C1CCOCC1 ZINC000187857492 384987340 /nfs/dbraw/zinc/98/73/40/384987340.db2.gz SDQKNQMKWZZPIX-ZDUSSCGKSA-N 2 2 244.379 0.969 20 0 BCADLP CC[N@@H+](C)CC[NH2+][C@@H](COC)C1CCOCC1 ZINC000187857492 384987345 /nfs/dbraw/zinc/98/73/45/384987345.db2.gz SDQKNQMKWZZPIX-ZDUSSCGKSA-N 2 2 244.379 0.969 20 0 BCADLP Cc1cccn2cc(CC[NH2+]CCC(N)=O)[nH+]c12 ZINC000644581550 384989599 /nfs/dbraw/zinc/98/95/99/384989599.db2.gz FAWLKNXSLMOAJS-UHFFFAOYSA-N 2 2 246.314 0.650 20 0 BCADLP CCCCCNC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000086206132 384998575 /nfs/dbraw/zinc/99/85/75/384998575.db2.gz NDRAYEJSXGZTHE-UHFFFAOYSA-N 2 2 227.352 0.716 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000272993705 385059273 /nfs/dbraw/zinc/05/92/73/385059273.db2.gz QQWJJWXWKVULBC-LBPRGKRZSA-N 2 2 236.319 0.867 20 0 BCADLP C[N@@H+]1C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC000646940987 385068669 /nfs/dbraw/zinc/06/86/69/385068669.db2.gz RALRRKPYDOESDQ-MNOVXSKESA-N 2 2 248.330 0.505 20 0 BCADLP C[N@H+]1C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC000646940987 385068675 /nfs/dbraw/zinc/06/86/75/385068675.db2.gz RALRRKPYDOESDQ-MNOVXSKESA-N 2 2 248.330 0.505 20 0 BCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000646940989 385069495 /nfs/dbraw/zinc/06/94/95/385069495.db2.gz RALRRKPYDOESDQ-WDEREUQCSA-N 2 2 248.330 0.505 20 0 BCADLP C[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000646940989 385069502 /nfs/dbraw/zinc/06/95/02/385069502.db2.gz RALRRKPYDOESDQ-WDEREUQCSA-N 2 2 248.330 0.505 20 0 BCADLP C[NH+](C)[C@]1(CNCc2[nH]cc[nH+]2)CCSC1 ZINC000165175343 385076507 /nfs/dbraw/zinc/07/65/07/385076507.db2.gz UHEJLMPRMDWNOZ-NSHDSACASA-N 2 2 240.376 0.937 20 0 BCADLP Cn1c[nH+]cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310547292 385110712 /nfs/dbraw/zinc/11/07/12/385110712.db2.gz FCPODXHZSGIJOO-TXEJJXNPSA-N 3 2 234.347 0.852 20 0 BCADLP COc1nccc(C[NH2+][C@@H](C)CC[NH+](C)C)n1 ZINC000294707125 385131709 /nfs/dbraw/zinc/13/17/09/385131709.db2.gz BCODQIJDYDBTKE-JTQLQIEISA-N 2 2 238.335 0.915 20 0 BCADLP C[C@@]1(C(=O)NCCCn2cc[nH+]c2)CC[NH2+]C1 ZINC000062890131 385195993 /nfs/dbraw/zinc/19/59/93/385195993.db2.gz UXILHQQAZXGUND-GFCCVEGCSA-N 2 2 236.319 0.389 20 0 BCADLP C[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000647020823 385148654 /nfs/dbraw/zinc/14/86/54/385148654.db2.gz NPIFENVRDYARKE-LDWIPMOCSA-N 2 2 243.257 0.428 20 0 BCADLP NC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157313318 385148758 /nfs/dbraw/zinc/14/87/58/385148758.db2.gz QLSYZNHATCAEBK-LLVKDONJSA-N 2 2 225.336 0.422 20 0 BCADLP NC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157313318 385148762 /nfs/dbraw/zinc/14/87/62/385148762.db2.gz QLSYZNHATCAEBK-LLVKDONJSA-N 2 2 225.336 0.422 20 0 BCADLP C[C@@H](CSc1nc(N)cc(N)[nH+]1)[NH+](C)C ZINC000308835657 385200131 /nfs/dbraw/zinc/20/01/31/385200131.db2.gz LCNNRUPEGVHZBR-LURJTMIESA-N 2 2 227.337 0.683 20 0 BCADLP COC[C@H]1C[N@H+](CCn2cc[nH+]c2)C[C@@H](C)O1 ZINC000189470890 385158976 /nfs/dbraw/zinc/15/89/76/385158976.db2.gz XUBLANXCDVFTIR-VXGBXAGGSA-N 2 2 239.319 0.619 20 0 BCADLP COC[C@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@@H](C)O1 ZINC000189470890 385158982 /nfs/dbraw/zinc/15/89/82/385158982.db2.gz XUBLANXCDVFTIR-VXGBXAGGSA-N 2 2 239.319 0.619 20 0 BCADLP CSCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000157385725 385158914 /nfs/dbraw/zinc/15/89/14/385158914.db2.gz HINPJNLSJMUJTH-UHFFFAOYSA-N 2 2 245.392 0.055 20 0 BCADLP CSCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000157385725 385158918 /nfs/dbraw/zinc/15/89/18/385158918.db2.gz HINPJNLSJMUJTH-UHFFFAOYSA-N 2 2 245.392 0.055 20 0 BCADLP COC[C@H]1C[N@H+](CCn2cc[nH+]c2)C[C@H](C)O1 ZINC000189470908 385159466 /nfs/dbraw/zinc/15/94/66/385159466.db2.gz XUBLANXCDVFTIR-NWDGAFQWSA-N 2 2 239.319 0.619 20 0 BCADLP COC[C@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@H](C)O1 ZINC000189470908 385159471 /nfs/dbraw/zinc/15/94/71/385159471.db2.gz XUBLANXCDVFTIR-NWDGAFQWSA-N 2 2 239.319 0.619 20 0 BCADLP CC[NH+](CC)CCC[NH2+]Cc1cnnn1C ZINC000129672379 385174969 /nfs/dbraw/zinc/17/49/69/385174969.db2.gz OOXYSSDLICEPFO-UHFFFAOYSA-N 2 2 225.340 0.637 20 0 BCADLP CC(C)C[C@@H]([NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000020506377 385219614 /nfs/dbraw/zinc/21/96/14/385219614.db2.gz XGKSROQACYCRAA-LLVKDONJSA-N 2 2 238.335 0.763 20 0 BCADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000252714114 385222259 /nfs/dbraw/zinc/22/22/59/385222259.db2.gz RAIPGGPAACBXRA-NWDGAFQWSA-N 3 2 222.336 0.813 20 0 BCADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000252714114 385222264 /nfs/dbraw/zinc/22/22/64/385222264.db2.gz RAIPGGPAACBXRA-NWDGAFQWSA-N 3 2 222.336 0.813 20 0 BCADLP C[C@H]([NH3+])C(=O)N(C)CCCn1cc[nH+]c1 ZINC000157640497 385237728 /nfs/dbraw/zinc/23/77/28/385237728.db2.gz NRNDDDMVMQJBPI-VIFPVBQESA-N 2 2 210.281 0.079 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000644730467 385255339 /nfs/dbraw/zinc/25/53/39/385255339.db2.gz VSNIGFMKXSVOSF-WDEREUQCSA-N 2 2 220.320 0.556 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000644730467 385255344 /nfs/dbraw/zinc/25/53/44/385255344.db2.gz VSNIGFMKXSVOSF-WDEREUQCSA-N 2 2 220.320 0.556 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157931636 385314249 /nfs/dbraw/zinc/31/42/49/385314249.db2.gz FHYHZIZHPBDJHO-JHJVBQTASA-N 3 2 241.379 0.125 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157931636 385314256 /nfs/dbraw/zinc/31/42/56/385314256.db2.gz FHYHZIZHPBDJHO-JHJVBQTASA-N 3 2 241.379 0.125 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000381700287 385320459 /nfs/dbraw/zinc/32/04/59/385320459.db2.gz GXFPYRPRTGCQKA-BDAKNGLRSA-N 2 2 210.281 0.125 20 0 BCADLP Cc1[nH+]ccn1CCN1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000644730553 385259577 /nfs/dbraw/zinc/25/95/77/385259577.db2.gz APKBQDTUDYFSMC-OLZOCXBDSA-N 2 2 234.347 0.827 20 0 BCADLP Cc1[nH+]ccn1CCN1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000644730553 385259582 /nfs/dbraw/zinc/25/95/82/385259582.db2.gz APKBQDTUDYFSMC-OLZOCXBDSA-N 2 2 234.347 0.827 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644730553 385259586 /nfs/dbraw/zinc/25/95/86/385259586.db2.gz APKBQDTUDYFSMC-OLZOCXBDSA-N 2 2 234.347 0.827 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644730553 385259591 /nfs/dbraw/zinc/25/95/91/385259591.db2.gz APKBQDTUDYFSMC-OLZOCXBDSA-N 2 2 234.347 0.827 20 0 BCADLP C[N@@H+](Cc1ccc2ccccc2n1)C[C@H](O)C[NH3+] ZINC000310978712 385262201 /nfs/dbraw/zinc/26/22/01/385262201.db2.gz QRMFBSTUMGTKNZ-CYBMUJFWSA-N 2 2 245.326 0.986 20 0 BCADLP C[N@H+](Cc1ccc2ccccc2n1)C[C@H](O)C[NH3+] ZINC000310978712 385262209 /nfs/dbraw/zinc/26/22/09/385262209.db2.gz QRMFBSTUMGTKNZ-CYBMUJFWSA-N 2 2 245.326 0.986 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CC[NH+]1CCCCC1 ZINC000308999161 385332541 /nfs/dbraw/zinc/33/25/41/385332541.db2.gz NMJQGDXUZMSEES-SNVBAGLBSA-N 2 2 213.325 0.326 20 0 BCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CC(=O)NC2CC2)[C@@H]1C ZINC000316902020 385339173 /nfs/dbraw/zinc/33/91/73/385339173.db2.gz SLBKZZRXRQDTOC-FOGDFJRCSA-N 2 2 239.363 0.713 20 0 BCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CC(=O)NC2CC2)[C@@H]1C ZINC000316902020 385339174 /nfs/dbraw/zinc/33/91/74/385339174.db2.gz SLBKZZRXRQDTOC-FOGDFJRCSA-N 2 2 239.363 0.713 20 0 BCADLP C[NH+]1CCC(CC(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000643992241 385359508 /nfs/dbraw/zinc/35/95/08/385359508.db2.gz BPWFRVZBALMTRI-UHFFFAOYSA-N 2 2 236.319 0.758 20 0 BCADLP C[NH+]1CCC(CC(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000643992241 385359511 /nfs/dbraw/zinc/35/95/11/385359511.db2.gz BPWFRVZBALMTRI-UHFFFAOYSA-N 2 2 236.319 0.758 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC([NH+](C)C)C1 ZINC000492325179 385362757 /nfs/dbraw/zinc/36/27/57/385362757.db2.gz UGDXZEAXSGWQTG-AATRIKPKSA-N 2 2 248.330 0.689 20 0 BCADLP CC[C@H]([NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000165238534 385366166 /nfs/dbraw/zinc/36/61/66/385366166.db2.gz LUZCPARBBVBCFU-JTQLQIEISA-N 2 2 236.319 0.737 20 0 BCADLP C[C@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000192989339 385378770 /nfs/dbraw/zinc/37/87/70/385378770.db2.gz GJMPUUQGEXESNY-JTQLQIEISA-N 2 2 209.293 0.901 20 0 BCADLP CC[NH+]1CCC([NH2+]C2(C(N)=O)CC2)CC1 ZINC000309029510 385379302 /nfs/dbraw/zinc/37/93/02/385379302.db2.gz CSJCVCZLAFFDLE-UHFFFAOYSA-N 2 2 211.309 0.078 20 0 BCADLP CC[NH+](CC)CCC[NH2+]C1(C(N)=O)CC1 ZINC000309052902 385385128 /nfs/dbraw/zinc/38/51/28/385385128.db2.gz RYWGXKYGGMRZCC-UHFFFAOYSA-N 2 2 213.325 0.326 20 0 BCADLP CC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000309041743 385386982 /nfs/dbraw/zinc/38/69/82/385386982.db2.gz LPYPRLRBRDIPQP-ZMLRMANQSA-N 2 2 212.337 0.830 20 0 BCADLP CC[C@H](O)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000309041743 385386984 /nfs/dbraw/zinc/38/69/84/385386984.db2.gz LPYPRLRBRDIPQP-ZMLRMANQSA-N 2 2 212.337 0.830 20 0 BCADLP CC(C)[C@H]([NH3+])C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000165581856 385402283 /nfs/dbraw/zinc/40/22/83/385402283.db2.gz CVVKBIQTHHSSEW-QWRGUYRKSA-N 2 2 238.335 0.619 20 0 BCADLP Cn1ncnc1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405242053 385403100 /nfs/dbraw/zinc/40/31/00/385403100.db2.gz WRRYKLLDHYPXNZ-SFYZADRCSA-N 2 2 209.297 0.031 20 0 BCADLP Cc1n[nH]cc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000194535933 385440132 /nfs/dbraw/zinc/44/01/32/385440132.db2.gz ZDKAOGOPIAQZRB-TXEJJXNPSA-N 2 2 220.320 0.712 20 0 BCADLP Cc1n[nH]cc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194535933 385440134 /nfs/dbraw/zinc/44/01/34/385440134.db2.gz ZDKAOGOPIAQZRB-TXEJJXNPSA-N 2 2 220.320 0.712 20 0 BCADLP Cc1n[nH]cc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194535933 385440136 /nfs/dbraw/zinc/44/01/36/385440136.db2.gz ZDKAOGOPIAQZRB-TXEJJXNPSA-N 2 2 220.320 0.712 20 0 BCADLP Cc1n[nH]cc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194535933 385440139 /nfs/dbraw/zinc/44/01/39/385440139.db2.gz ZDKAOGOPIAQZRB-TXEJJXNPSA-N 2 2 220.320 0.712 20 0 BCADLP C[NH+](C)C[C@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000179218961 385451558 /nfs/dbraw/zinc/45/15/58/385451558.db2.gz LXTZLKGEMFKGGJ-NSHDSACASA-N 2 2 224.308 0.172 20 0 BCADLP C[NH+](C)C[C@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000179218961 385451563 /nfs/dbraw/zinc/45/15/63/385451563.db2.gz LXTZLKGEMFKGGJ-NSHDSACASA-N 2 2 224.308 0.172 20 0 BCADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H](C)C[N@@H+]1C ZINC000492763883 385427822 /nfs/dbraw/zinc/42/78/22/385427822.db2.gz JQGPVWQCFWROKD-ZJRFNNFUSA-N 2 2 248.330 0.974 20 0 BCADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H](C)C[N@H+]1C ZINC000492763883 385427827 /nfs/dbraw/zinc/42/78/27/385427827.db2.gz JQGPVWQCFWROKD-ZJRFNNFUSA-N 2 2 248.330 0.974 20 0 BCADLP c1[nH]cc(CN2CC[N@@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000179547601 385472420 /nfs/dbraw/zinc/47/24/20/385472420.db2.gz YCIYKQIOJOZONR-LLVKDONJSA-N 2 2 206.293 0.690 20 0 BCADLP c1[nH]cc(CN2CC[N@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000179547601 385472422 /nfs/dbraw/zinc/47/24/22/385472422.db2.gz YCIYKQIOJOZONR-LLVKDONJSA-N 2 2 206.293 0.690 20 0 BCADLP c1[nH]c(CN2CC[N@@H+]3CCC[C@@H]3C2)c[nH+]1 ZINC000179547601 385472424 /nfs/dbraw/zinc/47/24/24/385472424.db2.gz YCIYKQIOJOZONR-LLVKDONJSA-N 2 2 206.293 0.690 20 0 BCADLP c1[nH]c(CN2CC[N@H+]3CCC[C@@H]3C2)c[nH+]1 ZINC000179547601 385472426 /nfs/dbraw/zinc/47/24/26/385472426.db2.gz YCIYKQIOJOZONR-LLVKDONJSA-N 2 2 206.293 0.690 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCNC1=O ZINC000179304036 385459838 /nfs/dbraw/zinc/45/98/38/385459838.db2.gz ZYAXQAVLNITOLU-JTQLQIEISA-N 2 2 222.292 0.094 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCNC1=O ZINC000179304036 385459841 /nfs/dbraw/zinc/45/98/41/385459841.db2.gz ZYAXQAVLNITOLU-JTQLQIEISA-N 2 2 222.292 0.094 20 0 BCADLP CCC1(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)COC1 ZINC000309241484 385495898 /nfs/dbraw/zinc/49/58/98/385495898.db2.gz YKMCSBDEKALMLV-WDEREUQCSA-N 2 2 212.337 0.953 20 0 BCADLP CCC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)COC1 ZINC000309241484 385495900 /nfs/dbraw/zinc/49/59/00/385495900.db2.gz YKMCSBDEKALMLV-WDEREUQCSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@H]1CC[N@H+](CCNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493071840 385511391 /nfs/dbraw/zinc/51/13/91/385511391.db2.gz PMKUCIIDXQRUPD-VUDBWIFFSA-N 2 2 248.330 0.881 20 0 BCADLP C[C@H]1CC[N@@H+](CCNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493071840 385511397 /nfs/dbraw/zinc/51/13/97/385511397.db2.gz PMKUCIIDXQRUPD-VUDBWIFFSA-N 2 2 248.330 0.881 20 0 BCADLP C[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000157979561 385541632 /nfs/dbraw/zinc/54/16/32/385541632.db2.gz WJKZWHAEYKBMEE-NXEZZACHSA-N 2 2 234.303 0.124 20 0 BCADLP C[C@H](C[NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000644150299 385545646 /nfs/dbraw/zinc/54/56/46/385545646.db2.gz FXXUKKOKPFPAOZ-GHMZBOCLSA-N 2 2 248.330 0.371 20 0 BCADLP C[C@H]1CN(c2nc[nH+]c(N)c2Cl)[C@@H](C)C[NH2+]1 ZINC000643023162 385519411 /nfs/dbraw/zinc/51/94/11/385519411.db2.gz ZMIRGMKXWHRXHO-BQBZGAKWSA-N 2 2 241.726 0.899 20 0 BCADLP C[NH+](C)C1(CNC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493122808 385527202 /nfs/dbraw/zinc/52/72/02/385527202.db2.gz UNJUNJFHACTQFH-ONEGZZNKSA-N 2 2 234.303 0.633 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000309313490 385527346 /nfs/dbraw/zinc/52/73/46/385527346.db2.gz OQXSUBHSHFGNHO-VHSXEESVSA-N 2 2 222.292 0.140 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000644153424 385553078 /nfs/dbraw/zinc/55/30/78/385553078.db2.gz SVDMTYRYDFVRQE-SNVBAGLBSA-N 2 2 236.319 0.377 20 0 BCADLP C[NH+](C)[C@@H](CNC(=O)/C=C\c1[nH]cc[nH+]1)C1CC1 ZINC000493195287 385554259 /nfs/dbraw/zinc/55/42/59/385554259.db2.gz VELLJXQPVDEWMM-GZTOBOFZSA-N 2 2 248.330 0.879 20 0 BCADLP CC[N@@H+]1CC[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493297429 385560434 /nfs/dbraw/zinc/56/04/34/385560434.db2.gz DJAYQKRHNXNUDI-DLRQAJBASA-N 2 2 234.303 0.633 20 0 BCADLP CC[N@H+]1CC[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493297429 385560435 /nfs/dbraw/zinc/56/04/35/385560435.db2.gz DJAYQKRHNXNUDI-DLRQAJBASA-N 2 2 234.303 0.633 20 0 BCADLP CC[N@H+](CCOC)C[C@H](O)C[NH+](C)C1CC1 ZINC000309394395 385561681 /nfs/dbraw/zinc/56/16/81/385561681.db2.gz IDZCNCLBWATUMI-GFCCVEGCSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](CCOC)C[C@H](O)C[NH+](C)C1CC1 ZINC000309394395 385561684 /nfs/dbraw/zinc/56/16/84/385561684.db2.gz IDZCNCLBWATUMI-GFCCVEGCSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](CCOC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000309394395 385561686 /nfs/dbraw/zinc/56/16/86/385561686.db2.gz IDZCNCLBWATUMI-GFCCVEGCSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](CCOC)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309394395 385561689 /nfs/dbraw/zinc/56/16/89/385561689.db2.gz IDZCNCLBWATUMI-GFCCVEGCSA-N 2 2 230.352 0.410 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CCC([NH3+])CC1 ZINC000493388077 385571631 /nfs/dbraw/zinc/57/16/31/385571631.db2.gz NHMQDZTTXJZBDY-ONEGZZNKSA-N 2 2 248.330 0.866 20 0 BCADLP C[NH+]1CCC([NH2+][C@H](CO)[C@H]2CCCO2)CC1 ZINC000309468417 385597117 /nfs/dbraw/zinc/59/71/17/385597117.db2.gz QBJUSFKIPFBSGD-VXGBXAGGSA-N 2 2 228.336 0.210 20 0 BCADLP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414849165 385626408 /nfs/dbraw/zinc/62/64/08/385626408.db2.gz QWACZJDYBAKGON-UTUOFQBUSA-N 3 2 211.353 0.859 20 0 BCADLP CO[C@H](C)C[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309486735 385613415 /nfs/dbraw/zinc/61/34/15/385613415.db2.gz XFKUEDMAPBSUMK-ZYHUDNBSSA-N 2 2 230.352 0.408 20 0 BCADLP CO[C@H](C)C[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309486735 385613422 /nfs/dbraw/zinc/61/34/22/385613422.db2.gz XFKUEDMAPBSUMK-ZYHUDNBSSA-N 2 2 230.352 0.408 20 0 BCADLP CO[C@H](C)C[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309486735 385613428 /nfs/dbraw/zinc/61/34/28/385613428.db2.gz XFKUEDMAPBSUMK-ZYHUDNBSSA-N 2 2 230.352 0.408 20 0 BCADLP CO[C@H](C)C[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309486735 385613432 /nfs/dbraw/zinc/61/34/32/385613432.db2.gz XFKUEDMAPBSUMK-ZYHUDNBSSA-N 2 2 230.352 0.408 20 0 BCADLP Cc1nn(C)cc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000229817209 385677917 /nfs/dbraw/zinc/67/79/17/385677917.db2.gz ZHEYYBZSIPGBFJ-LBPRGKRZSA-N 2 2 240.351 0.131 20 0 BCADLP CC[C@H](O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000281534876 385678306 /nfs/dbraw/zinc/67/83/06/385678306.db2.gz ANTPUPOJVLNGMU-NSHDSACASA-N 2 2 211.309 0.976 20 0 BCADLP CC[C@H](O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000281534876 385678314 /nfs/dbraw/zinc/67/83/14/385678314.db2.gz ANTPUPOJVLNGMU-NSHDSACASA-N 2 2 211.309 0.976 20 0 BCADLP C[N@@H+](Cc1cccc(F)c1F)C[C@@H](O)C[NH3+] ZINC000336735248 385689175 /nfs/dbraw/zinc/68/91/75/385689175.db2.gz HWTTWVRRCIBEEB-VIFPVBQESA-N 2 2 230.258 0.716 20 0 BCADLP C[N@H+](Cc1cccc(F)c1F)C[C@@H](O)C[NH3+] ZINC000336735248 385689179 /nfs/dbraw/zinc/68/91/79/385689179.db2.gz HWTTWVRRCIBEEB-VIFPVBQESA-N 2 2 230.258 0.716 20 0 BCADLP C[C@@H](CC[NH3+])NC(=O)CCn1cc[nH+]c1 ZINC000336688375 385707803 /nfs/dbraw/zinc/70/78/03/385707803.db2.gz LOBPOYMZDFDMLA-VIFPVBQESA-N 2 2 210.281 0.127 20 0 BCADLP C[N@H+](CC(N)=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337641354 385732560 /nfs/dbraw/zinc/73/25/60/385732560.db2.gz YFULTZVBWWZLTM-UHFFFAOYSA-N 2 2 244.298 0.789 20 0 BCADLP C[N@@H+](CC(N)=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337641354 385732567 /nfs/dbraw/zinc/73/25/67/385732567.db2.gz YFULTZVBWWZLTM-UHFFFAOYSA-N 2 2 244.298 0.789 20 0 BCADLP COC[C@@](C)(CCO)[NH2+]CCCn1cc[nH+]c1 ZINC000183185539 385739522 /nfs/dbraw/zinc/73/95/22/385739522.db2.gz FPELBKBHOAUFDJ-GFCCVEGCSA-N 2 2 241.335 0.650 20 0 BCADLP COC[C@H]1C[N@H+](CCn2cc[nH+]c2C)CCO1 ZINC000270853669 385752884 /nfs/dbraw/zinc/75/28/84/385752884.db2.gz IIWIJBQOUPYHAY-GFCCVEGCSA-N 2 2 239.319 0.539 20 0 BCADLP COC[C@H]1C[N@@H+](CCn2cc[nH+]c2C)CCO1 ZINC000270853669 385752887 /nfs/dbraw/zinc/75/28/87/385752887.db2.gz IIWIJBQOUPYHAY-GFCCVEGCSA-N 2 2 239.319 0.539 20 0 BCADLP CC[C@@H](COC)[NH2+]CC[N@H+](CC)CCO ZINC000186575906 385771412 /nfs/dbraw/zinc/77/14/12/385771412.db2.gz ZFQCBSQCBFOIND-NSHDSACASA-N 2 2 218.341 0.315 20 0 BCADLP CC[C@@H](COC)[NH2+]CC[N@@H+](CC)CCO ZINC000186575906 385771418 /nfs/dbraw/zinc/77/14/18/385771418.db2.gz ZFQCBSQCBFOIND-NSHDSACASA-N 2 2 218.341 0.315 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)COCC(=O)OC)C1 ZINC000414558790 385775387 /nfs/dbraw/zinc/77/53/87/385775387.db2.gz ZOXBBIYOZIEQPZ-MNOVXSKESA-N 2 2 244.335 0.248 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)COCC(=O)OC)C1 ZINC000414558790 385775392 /nfs/dbraw/zinc/77/53/92/385775392.db2.gz ZOXBBIYOZIEQPZ-MNOVXSKESA-N 2 2 244.335 0.248 20 0 BCADLP COC[C@H](O)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000309660756 385778700 /nfs/dbraw/zinc/77/87/00/385778700.db2.gz RFUYYIREGIFXHC-JLLWLGSASA-N 2 2 228.336 0.066 20 0 BCADLP COC[C@H](O)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000309660756 385778703 /nfs/dbraw/zinc/77/87/03/385778703.db2.gz RFUYYIREGIFXHC-JLLWLGSASA-N 2 2 228.336 0.066 20 0 BCADLP COC[C@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000271062892 385783085 /nfs/dbraw/zinc/78/30/85/385783085.db2.gz ADFPRTZYZGSAFU-WDEREUQCSA-N 2 2 239.319 0.596 20 0 BCADLP COC[C@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000271062892 385783087 /nfs/dbraw/zinc/78/30/87/385783087.db2.gz ADFPRTZYZGSAFU-WDEREUQCSA-N 2 2 239.319 0.596 20 0 BCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cncs1 ZINC000309590024 385720631 /nfs/dbraw/zinc/72/06/31/385720631.db2.gz UNLDDVXFPZMMPI-KOLCDFICSA-N 2 2 241.360 0.860 20 0 BCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cncs1 ZINC000309590024 385720633 /nfs/dbraw/zinc/72/06/33/385720633.db2.gz UNLDDVXFPZMMPI-KOLCDFICSA-N 2 2 241.360 0.860 20 0 BCADLP Cn1cc(C[NH2+]CC2([NH3+])CCCCCC2)nn1 ZINC000414857230 385724631 /nfs/dbraw/zinc/72/46/31/385724631.db2.gz BZSGULMLFJBNAY-UHFFFAOYSA-N 2 2 237.351 0.956 20 0 BCADLP CC(=O)CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000307734561 385827352 /nfs/dbraw/zinc/82/73/52/385827352.db2.gz VRBHLNRNANFXKT-LBPRGKRZSA-N 2 2 210.321 0.993 20 0 BCADLP CC(=O)CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000307734561 385827356 /nfs/dbraw/zinc/82/73/56/385827356.db2.gz VRBHLNRNANFXKT-LBPRGKRZSA-N 2 2 210.321 0.993 20 0 BCADLP CC(=O)CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000307734561 385827361 /nfs/dbraw/zinc/82/73/61/385827361.db2.gz VRBHLNRNANFXKT-LBPRGKRZSA-N 2 2 210.321 0.993 20 0 BCADLP CC(=O)CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000307734561 385827364 /nfs/dbraw/zinc/82/73/64/385827364.db2.gz VRBHLNRNANFXKT-LBPRGKRZSA-N 2 2 210.321 0.993 20 0 BCADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]CC1(O)CCC1 ZINC000521436383 385831606 /nfs/dbraw/zinc/83/16/06/385831606.db2.gz VORDCEIMBYAZHD-LBPRGKRZSA-N 2 2 242.363 0.338 20 0 BCADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]CC1(O)CCC1 ZINC000521436383 385831613 /nfs/dbraw/zinc/83/16/13/385831613.db2.gz VORDCEIMBYAZHD-LBPRGKRZSA-N 2 2 242.363 0.338 20 0 BCADLP Cc1ccc(O)c(C[NH2+][C@H]2CCC[NH2+]C2)n1 ZINC000414870445 385846917 /nfs/dbraw/zinc/84/69/17/385846917.db2.gz SQKBSEDQHCJTOO-JTQLQIEISA-N 2 2 221.304 0.937 20 0 BCADLP CCC[NH2+]CC[NH2+]Cc1cnc2cnccn12 ZINC000414866853 385790562 /nfs/dbraw/zinc/79/05/62/385790562.db2.gz HHJQORHAKZTBDV-UHFFFAOYSA-N 2 2 233.319 0.819 20 0 BCADLP Cn1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1=O ZINC000647853451 385905005 /nfs/dbraw/zinc/90/50/05/385905005.db2.gz YXFQBTWCVYKBAV-LLVKDONJSA-N 2 2 221.304 0.308 20 0 BCADLP Cn1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1=O ZINC000647853451 385905010 /nfs/dbraw/zinc/90/50/10/385905010.db2.gz YXFQBTWCVYKBAV-LLVKDONJSA-N 2 2 221.304 0.308 20 0 BCADLP C[C@H]1CCC[N@H+](Cc2ccn(C)c(=O)c2)[C@H]1C[NH3+] ZINC000647846927 385906361 /nfs/dbraw/zinc/90/63/61/385906361.db2.gz MNXDLGMQHOXBBQ-AAEUAGOBSA-N 2 2 249.358 0.945 20 0 BCADLP C[C@H]1CCC[N@@H+](Cc2ccn(C)c(=O)c2)[C@H]1C[NH3+] ZINC000647846927 385906365 /nfs/dbraw/zinc/90/63/65/385906365.db2.gz MNXDLGMQHOXBBQ-AAEUAGOBSA-N 2 2 249.358 0.945 20 0 BCADLP C[NH2+][C@@H]1CCC[N@H+](CCc2cn[nH]c2)C1 ZINC000308975955 385925551 /nfs/dbraw/zinc/92/55/51/385925551.db2.gz BZSPJWJADTXBMK-LLVKDONJSA-N 2 2 208.309 0.636 20 0 BCADLP C[NH2+][C@@H]1CCC[N@@H+](CCc2cn[nH]c2)C1 ZINC000308975955 385925557 /nfs/dbraw/zinc/92/55/57/385925557.db2.gz BZSPJWJADTXBMK-LLVKDONJSA-N 2 2 208.309 0.636 20 0 BCADLP COC[C@@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000272007204 385868232 /nfs/dbraw/zinc/86/82/32/385868232.db2.gz ADFPRTZYZGSAFU-QWRGUYRKSA-N 2 2 239.319 0.596 20 0 BCADLP COC[C@@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000272007204 385868235 /nfs/dbraw/zinc/86/82/35/385868235.db2.gz ADFPRTZYZGSAFU-QWRGUYRKSA-N 2 2 239.319 0.596 20 0 BCADLP Cn1ccc(C[N@H+](C)[C@H]2CC[NH2+]C2)cc1=O ZINC000647837924 385881336 /nfs/dbraw/zinc/88/13/36/385881336.db2.gz MZFOBFHKNFVDBF-NSHDSACASA-N 2 2 221.304 0.179 20 0 BCADLP Cn1ccc(C[N@@H+](C)[C@H]2CC[NH2+]C2)cc1=O ZINC000647837924 385881340 /nfs/dbraw/zinc/88/13/40/385881340.db2.gz MZFOBFHKNFVDBF-NSHDSACASA-N 2 2 221.304 0.179 20 0 BCADLP CCCCNC(=O)CC[N@H+](C)[C@H]1CC[NH2+]C1 ZINC000647838022 385881988 /nfs/dbraw/zinc/88/19/88/385881988.db2.gz GUMHPQMQKRKVKB-NSHDSACASA-N 2 2 227.352 0.587 20 0 BCADLP CCCCNC(=O)CC[N@@H+](C)[C@H]1CC[NH2+]C1 ZINC000647838022 385881989 /nfs/dbraw/zinc/88/19/89/385881989.db2.gz GUMHPQMQKRKVKB-NSHDSACASA-N 2 2 227.352 0.587 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335021135 385980937 /nfs/dbraw/zinc/98/09/37/385980937.db2.gz CGLUMENDNYUKPP-NEPJUHHUSA-N 3 2 225.380 0.916 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335021135 385980943 /nfs/dbraw/zinc/98/09/43/385980943.db2.gz CGLUMENDNYUKPP-NEPJUHHUSA-N 3 2 225.380 0.916 20 0 BCADLP COc1cccc(C[C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)n1 ZINC000414881141 385989409 /nfs/dbraw/zinc/98/94/09/385989409.db2.gz KUKISCWIVLGTOV-ZYHUDNBSSA-N 2 2 235.331 0.973 20 0 BCADLP CO[C@@H]1CCN(Cc2c[nH+]cn2C)[C@@H](C[NH3+])C1 ZINC000161030445 385932515 /nfs/dbraw/zinc/93/25/15/385932515.db2.gz GTRHJYZXNMXTJR-ZYHUDNBSSA-N 2 2 238.335 0.358 20 0 BCADLP CC(C)N1CCC[C@@H]([NH2+]CC2([NH3+])CCC2)C1=O ZINC000342126776 385932856 /nfs/dbraw/zinc/93/28/56/385932856.db2.gz FEMUSPBQGRSOSY-LLVKDONJSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@H]1C[N@H+](CCN2CCC(C)([NH3+])CC2)CCO1 ZINC000647924120 385940869 /nfs/dbraw/zinc/94/08/69/385940869.db2.gz GXURDHOEQZMMGM-LBPRGKRZSA-N 2 2 241.379 0.520 20 0 BCADLP C[C@H]1C[N@@H+](CCN2CCC(C)([NH3+])CC2)CCO1 ZINC000647924120 385940876 /nfs/dbraw/zinc/94/08/76/385940876.db2.gz GXURDHOEQZMMGM-LBPRGKRZSA-N 2 2 241.379 0.520 20 0 BCADLP C([NH2+][C@H]1CCC12CCC2)[C@H]1C[NH2+]CCO1 ZINC000335048689 385944627 /nfs/dbraw/zinc/94/46/27/385944627.db2.gz BCZALWADDFQQEL-MNOVXSKESA-N 2 2 210.321 0.897 20 0 BCADLP CO[C@@H](C)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000272933550 385952433 /nfs/dbraw/zinc/95/24/33/385952433.db2.gz KGLFKWDLPVHDKJ-NSHDSACASA-N 2 2 238.335 0.577 20 0 BCADLP CC(C)OCCC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647864286 385966443 /nfs/dbraw/zinc/96/64/43/385966443.db2.gz SWTCBGYIJJKWSA-VXGBXAGGSA-N 2 2 230.352 0.850 20 0 BCADLP CC(C)OCCC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647864286 385966448 /nfs/dbraw/zinc/96/64/48/385966448.db2.gz SWTCBGYIJJKWSA-VXGBXAGGSA-N 2 2 230.352 0.850 20 0 BCADLP COC[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000336749392 385997601 /nfs/dbraw/zinc/99/76/01/385997601.db2.gz DHYUYRWPTWVKJJ-NXEZZACHSA-N 2 2 209.293 0.822 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C[C@H]1CCC[N@@H+]1C ZINC000643256262 386001330 /nfs/dbraw/zinc/00/13/30/386001330.db2.gz MSSKXIMZNZFRQL-SNVBAGLBSA-N 2 2 208.309 0.936 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C[C@H]1CCC[N@H+]1C ZINC000643256262 386001331 /nfs/dbraw/zinc/00/13/31/386001331.db2.gz MSSKXIMZNZFRQL-SNVBAGLBSA-N 2 2 208.309 0.936 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000336752103 386012281 /nfs/dbraw/zinc/01/22/81/386012281.db2.gz VLFQIOVZQFKHSB-MNOVXSKESA-N 2 2 227.352 0.714 20 0 BCADLP C[NH+]1CCC([NH2+]CC2([S@@](C)=O)CCC2)CC1 ZINC000336752644 386019130 /nfs/dbraw/zinc/01/91/30/386019130.db2.gz DOINOAFGERTTEN-MRXNPFEDSA-N 2 2 244.404 0.971 20 0 BCADLP CC[C@H](Cn1cncn1)[NH2+]C[C@H](C)[NH+](C)C ZINC000336727798 386030468 /nfs/dbraw/zinc/03/04/68/386030468.db2.gz GSBSMQVVWPMWBH-WDEREUQCSA-N 2 2 225.340 0.596 20 0 BCADLP COC[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000336749405 385996686 /nfs/dbraw/zinc/99/66/86/385996686.db2.gz DHYUYRWPTWVKJJ-VHSXEESVSA-N 2 2 209.293 0.822 20 0 BCADLP CN(CC[N@H+](C)C1CC1)Cc1c[nH+]cn1C ZINC000274498733 386111415 /nfs/dbraw/zinc/11/14/15/386111415.db2.gz RBJJHKWLFJDWQU-UHFFFAOYSA-N 2 2 222.336 0.946 20 0 BCADLP CN(CC[N@@H+](C)C1CC1)Cc1c[nH+]cn1C ZINC000274498733 386111421 /nfs/dbraw/zinc/11/14/21/386111421.db2.gz RBJJHKWLFJDWQU-UHFFFAOYSA-N 2 2 222.336 0.946 20 0 BCADLP CC[NH+](CC)CC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000338593831 386069567 /nfs/dbraw/zinc/06/95/67/386069567.db2.gz UXCXYOBGYSBRAW-NSHDSACASA-N 2 2 241.379 0.975 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)[C@@H]1CCC[C@H]1O ZINC000286765769 386072123 /nfs/dbraw/zinc/07/21/23/386072123.db2.gz ZLZIFFZQOKJWGB-GHMZBOCLSA-N 2 2 209.293 0.728 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCC[C@H]1O ZINC000286765769 386072129 /nfs/dbraw/zinc/07/21/29/386072129.db2.gz ZLZIFFZQOKJWGB-GHMZBOCLSA-N 2 2 209.293 0.728 20 0 BCADLP CCN(CCC[NH+](C)C)c1nc(C)[nH+]c(N)n1 ZINC000310217898 386165093 /nfs/dbraw/zinc/16/50/93/386165093.db2.gz GGOACMPAEXCYJJ-UHFFFAOYSA-N 2 2 238.339 0.540 20 0 BCADLP CCN(CCC[NH+](C)C)c1nc(N)nc(C)[nH+]1 ZINC000310217898 386165097 /nfs/dbraw/zinc/16/50/97/386165097.db2.gz GGOACMPAEXCYJJ-UHFFFAOYSA-N 2 2 238.339 0.540 20 0 BCADLP Cc1ccnc([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)c1 ZINC000353506464 386178032 /nfs/dbraw/zinc/17/80/32/386178032.db2.gz YPUCEPFULQCAKY-RYUDHWBXSA-N 2 2 237.347 0.963 20 0 BCADLP COC(=O)c1coc(C[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000414895279 386182776 /nfs/dbraw/zinc/18/27/76/386182776.db2.gz WPKYCQIZAPLROB-NSHDSACASA-N 2 2 238.287 0.893 20 0 BCADLP COC(=O)c1ccc(C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414890965 386133850 /nfs/dbraw/zinc/13/38/50/386133850.db2.gz VVBQAXJSDZEELJ-LBPRGKRZSA-N 2 2 234.299 0.925 20 0 BCADLP COC(=O)[C@H]1CC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414669999 386134443 /nfs/dbraw/zinc/13/44/43/386134443.db2.gz CJTLNAVYKLEHGO-JTQLQIEISA-N 2 2 228.336 0.869 20 0 BCADLP COC(=O)[C@H]1CC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414669999 386134450 /nfs/dbraw/zinc/13/44/50/386134450.db2.gz CJTLNAVYKLEHGO-JTQLQIEISA-N 2 2 228.336 0.869 20 0 BCADLP COC(=O)[C@@H]1CC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414670001 386136187 /nfs/dbraw/zinc/13/61/87/386136187.db2.gz CJTLNAVYKLEHGO-SNVBAGLBSA-N 2 2 228.336 0.869 20 0 BCADLP COC(=O)[C@@H]1CC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414670001 386136189 /nfs/dbraw/zinc/13/61/89/386136189.db2.gz CJTLNAVYKLEHGO-SNVBAGLBSA-N 2 2 228.336 0.869 20 0 BCADLP C[C@H]1C[N@H+](CC(C)(C)[NH3+])C[C@@H]1N1CCOCC1 ZINC000346980574 386204089 /nfs/dbraw/zinc/20/40/89/386204089.db2.gz LZZJIFJLCJDXJO-RYUDHWBXSA-N 2 2 241.379 0.376 20 0 BCADLP C[C@H]1C[N@@H+](CC(C)(C)[NH3+])C[C@@H]1N1CCOCC1 ZINC000346980574 386204091 /nfs/dbraw/zinc/20/40/91/386204091.db2.gz LZZJIFJLCJDXJO-RYUDHWBXSA-N 2 2 241.379 0.376 20 0 BCADLP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])o1 ZINC000415000495 386223177 /nfs/dbraw/zinc/22/31/77/386223177.db2.gz BEKMCIUHTSOHMQ-YUMQZZPRSA-N 2 2 226.276 0.892 20 0 BCADLP C[NH+]1CCC([N@H+](CCO)Cc2ccccn2)CC1 ZINC000264384370 386232233 /nfs/dbraw/zinc/23/22/33/386232233.db2.gz QNKZYRHLNGALGU-UHFFFAOYSA-N 2 2 249.358 0.970 20 0 BCADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccccn2)CC1 ZINC000264384370 386232237 /nfs/dbraw/zinc/23/22/37/386232237.db2.gz QNKZYRHLNGALGU-UHFFFAOYSA-N 2 2 249.358 0.970 20 0 BCADLP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@H]([NH3+])CC(C)C ZINC000414714237 386233992 /nfs/dbraw/zinc/23/39/92/386233992.db2.gz WONBMFJCIGYLJW-MNOVXSKESA-N 2 2 227.352 0.570 20 0 BCADLP CNC(=O)[C@@H]1CCC[N@H+]1C[C@H]([NH3+])CC(C)C ZINC000414714237 386233995 /nfs/dbraw/zinc/23/39/95/386233995.db2.gz WONBMFJCIGYLJW-MNOVXSKESA-N 2 2 227.352 0.570 20 0 BCADLP CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000347123312 386237848 /nfs/dbraw/zinc/23/78/48/386237848.db2.gz XDRZHVHDPKHGFO-CYBMUJFWSA-N 2 2 247.342 0.969 20 0 BCADLP CNC(=O)c1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000347123312 386237853 /nfs/dbraw/zinc/23/78/53/386237853.db2.gz XDRZHVHDPKHGFO-CYBMUJFWSA-N 2 2 247.342 0.969 20 0 BCADLP Cc1nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(N)[nH+]1 ZINC000310717191 386243259 /nfs/dbraw/zinc/24/32/59/386243259.db2.gz GLQIDPQOVMWUFL-ZJUUUORDSA-N 2 2 248.334 0.435 20 0 BCADLP Cc1nc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)nc(N)[nH+]1 ZINC000310717191 386243263 /nfs/dbraw/zinc/24/32/63/386243263.db2.gz GLQIDPQOVMWUFL-ZJUUUORDSA-N 2 2 248.334 0.435 20 0 BCADLP NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000408401692 386196167 /nfs/dbraw/zinc/19/61/67/386196167.db2.gz GUAHOAJPCASMAE-UHFFFAOYSA-N 2 2 208.265 0.074 20 0 BCADLP c1cnn(CC[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000133262526 386289920 /nfs/dbraw/zinc/28/99/20/386289920.db2.gz VGEHAWJJAOHKCN-NEPJUHHUSA-N 2 2 220.320 0.709 20 0 BCADLP c1cnn(CC[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000133262526 386289928 /nfs/dbraw/zinc/28/99/28/386289928.db2.gz VGEHAWJJAOHKCN-NEPJUHHUSA-N 2 2 220.320 0.709 20 0 BCADLP CCC(=O)N1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000425515749 386290648 /nfs/dbraw/zinc/29/06/48/386290648.db2.gz SYJSOONDKJASDP-UHFFFAOYSA-N 2 2 236.319 0.474 20 0 BCADLP CCC(=O)N1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000425515749 386290658 /nfs/dbraw/zinc/29/06/58/386290658.db2.gz SYJSOONDKJASDP-UHFFFAOYSA-N 2 2 236.319 0.474 20 0 BCADLP Cc1ccc(O)c(C[NH2+][C@H](C)[C@@H](C)[NH3+])n1 ZINC000415005650 386302726 /nfs/dbraw/zinc/30/27/26/386302726.db2.gz JJRMMLOLSGBFQZ-RKDXNWHRSA-N 2 2 209.293 0.921 20 0 BCADLP c1cn(CC[NH2+]Cc2cn3cccnc3n2)c[nH+]1 ZINC000298162562 386304672 /nfs/dbraw/zinc/30/46/72/386304672.db2.gz JAPNDVOBRGVAMS-UHFFFAOYSA-N 2 2 242.286 0.716 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000414736937 386305079 /nfs/dbraw/zinc/30/50/79/386305079.db2.gz HZEGDHMXTYFQRM-GRYCIOLGSA-N 2 2 241.379 0.946 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000414736937 386305082 /nfs/dbraw/zinc/30/50/82/386305082.db2.gz HZEGDHMXTYFQRM-GRYCIOLGSA-N 2 2 241.379 0.946 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000414736948 386305558 /nfs/dbraw/zinc/30/55/58/386305558.db2.gz HZEGDHMXTYFQRM-SRVKXCTJSA-N 2 2 241.379 0.946 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000414736948 386305562 /nfs/dbraw/zinc/30/55/62/386305562.db2.gz HZEGDHMXTYFQRM-SRVKXCTJSA-N 2 2 241.379 0.946 20 0 BCADLP CCC(=O)N1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000425517252 386307801 /nfs/dbraw/zinc/30/78/01/386307801.db2.gz KPWGCPMNTKIATD-UHFFFAOYSA-N 2 2 236.319 0.785 20 0 BCADLP CCC(=O)N1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000425517252 386307808 /nfs/dbraw/zinc/30/78/08/386307808.db2.gz KPWGCPMNTKIATD-UHFFFAOYSA-N 2 2 236.319 0.785 20 0 BCADLP CO[C@@H]1C[NH+](Cc2c[nH+]cn2C)C[C@H]1OC ZINC000336668694 386308949 /nfs/dbraw/zinc/30/89/49/386308949.db2.gz QEMZVURQZGYGFZ-GHMZBOCLSA-N 2 2 225.292 0.266 20 0 BCADLP CCC[C@H]([NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000236864885 386320963 /nfs/dbraw/zinc/32/09/63/386320963.db2.gz OHNLHASXLILODF-MNOVXSKESA-N 2 2 238.335 0.763 20 0 BCADLP CN(CC[NH+](C)C)C(=O)CCc1[nH]cc[nH+]1 ZINC000289142783 386265566 /nfs/dbraw/zinc/26/55/66/386265566.db2.gz IKCBXBDSVXEKJD-UHFFFAOYSA-N 2 2 224.308 0.362 20 0 BCADLP CO[C@H]1COC[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000289684347 386341002 /nfs/dbraw/zinc/34/10/02/386341002.db2.gz CQWFQOYPYDEEMM-RYUDHWBXSA-N 2 2 247.298 0.838 20 0 BCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000289692341 386343721 /nfs/dbraw/zinc/34/37/21/386343721.db2.gz BCZXQUVXLTUAHE-KOLCDFICSA-N 2 2 236.319 0.660 20 0 BCADLP C[C@@H]1C[C@H]([NH+](C)CCn2cncn2)CC[N@@H+]1C ZINC000336688279 386350880 /nfs/dbraw/zinc/35/08/80/386350880.db2.gz GZXZMSYRHMRLCB-VXGBXAGGSA-N 2 2 237.351 0.693 20 0 BCADLP C[C@@H]1C[C@H]([NH+](C)CCn2cncn2)CC[N@H+]1C ZINC000336688279 386350885 /nfs/dbraw/zinc/35/08/85/386350885.db2.gz GZXZMSYRHMRLCB-VXGBXAGGSA-N 2 2 237.351 0.693 20 0 BCADLP C[C@@H]1C[C@H]([N@H+](C)CCn2cncn2)CC[NH+]1C ZINC000336688279 386350889 /nfs/dbraw/zinc/35/08/89/386350889.db2.gz GZXZMSYRHMRLCB-VXGBXAGGSA-N 2 2 237.351 0.693 20 0 BCADLP C[C@@H]1C[C@H]([N@@H+](C)CCn2cncn2)CC[NH+]1C ZINC000336688279 386350894 /nfs/dbraw/zinc/35/08/94/386350894.db2.gz GZXZMSYRHMRLCB-VXGBXAGGSA-N 2 2 237.351 0.693 20 0 BCADLP c1ccc2c(c1)CC([NH2+]C[C@H]1C[NH2+]CCO1)C2 ZINC000335268316 386351178 /nfs/dbraw/zinc/35/11/78/386351178.db2.gz PFJZRKQZEZMJKH-CQSZACIVSA-N 2 2 232.327 0.732 20 0 BCADLP c1[nH]c2c([nH+]1)CC[N@@H+](C[C@@H]1CCOC1)C2 ZINC000647933445 386361675 /nfs/dbraw/zinc/36/16/75/386361675.db2.gz OCXPTOQDJOXODI-VIFPVBQESA-N 2 2 207.277 0.804 20 0 BCADLP c1[nH]c2c([nH+]1)CC[N@H+](C[C@@H]1CCOC1)C2 ZINC000647933445 386361676 /nfs/dbraw/zinc/36/16/76/386361676.db2.gz OCXPTOQDJOXODI-VIFPVBQESA-N 2 2 207.277 0.804 20 0 BCADLP CN(C(=O)C=Cc1c[nH]c[nH+]1)C1CC[NH+](C)CC1 ZINC000276672029 386361779 /nfs/dbraw/zinc/36/17/79/386361779.db2.gz NWLMZPOUMYVEGJ-ONEGZZNKSA-N 2 2 248.330 0.976 20 0 BCADLP C[N@H+](CCC(N)=O)Cc1cccc2[nH+]ccn21 ZINC000289966436 386377215 /nfs/dbraw/zinc/37/72/15/386377215.db2.gz ZHGIMQMLYRAUNB-UHFFFAOYSA-N 2 2 232.287 0.642 20 0 BCADLP C[N@@H+](CCC(N)=O)Cc1cccc2[nH+]ccn21 ZINC000289966436 386377217 /nfs/dbraw/zinc/37/72/17/386377217.db2.gz ZHGIMQMLYRAUNB-UHFFFAOYSA-N 2 2 232.287 0.642 20 0 BCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccco1 ZINC000336743459 386377512 /nfs/dbraw/zinc/37/75/12/386377512.db2.gz PEQCJUSIHGFFPP-ZYHUDNBSSA-N 2 2 224.304 0.997 20 0 BCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccco1 ZINC000336743459 386377520 /nfs/dbraw/zinc/37/75/20/386377520.db2.gz PEQCJUSIHGFFPP-ZYHUDNBSSA-N 2 2 224.304 0.997 20 0 BCADLP C[C@H](CNC(=O)[C@H]1CCC[NH2+]1)Cn1cc[nH+]c1 ZINC000237463997 386380655 /nfs/dbraw/zinc/38/06/55/386380655.db2.gz IKRBXLFKVPZUMO-GHMZBOCLSA-N 2 2 236.319 0.387 20 0 BCADLP COC[C@@H](CO)[NH2+]CCCc1c[nH+]ccc1C ZINC000289585733 386330488 /nfs/dbraw/zinc/33/04/88/386330488.db2.gz IFYRDWJBYNBJIV-CYBMUJFWSA-N 2 2 238.331 0.920 20 0 BCADLP COC[C@H](C)[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336718415 386440173 /nfs/dbraw/zinc/44/01/73/386440173.db2.gz DKBLIFVGFVREMD-NSHDSACASA-N 2 2 238.335 0.562 20 0 BCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000290052644 386387806 /nfs/dbraw/zinc/38/78/06/386387806.db2.gz HGPBDLWLPNGNIK-VHSXEESVSA-N 2 2 236.319 0.722 20 0 BCADLP C[C@@H](CNC(=O)[C@H]1CCC[NH2+]1)Cn1cc[nH+]c1 ZINC000237596000 386395074 /nfs/dbraw/zinc/39/50/74/386395074.db2.gz IKRBXLFKVPZUMO-WDEREUQCSA-N 2 2 236.319 0.387 20 0 BCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000290201210 386406764 /nfs/dbraw/zinc/40/67/64/386406764.db2.gz RIPFHSBDWARGPU-NXEZZACHSA-N 2 2 236.319 0.424 20 0 BCADLP COC[C@@H](O)C[NH2+]CCCc1c[nH+]ccc1C ZINC000290211478 386407402 /nfs/dbraw/zinc/40/74/02/386407402.db2.gz DVWKAJUHVOIDKQ-ZDUSSCGKSA-N 2 2 238.331 0.920 20 0 BCADLP Cc1ccc(CCC[N@@H+]2CCO[C@H](C[NH3+])C2)cn1 ZINC000339407149 386411093 /nfs/dbraw/zinc/41/10/93/386411093.db2.gz LZAAQWNCKKAFTO-CQSZACIVSA-N 2 2 249.358 0.982 20 0 BCADLP Cc1ccc(CCC[N@H+]2CCO[C@H](C[NH3+])C2)cn1 ZINC000339407149 386411098 /nfs/dbraw/zinc/41/10/98/386411098.db2.gz LZAAQWNCKKAFTO-CQSZACIVSA-N 2 2 249.358 0.982 20 0 BCADLP Cc1ccc(CCC[N@@H+]2CCO[C@@H](C[NH3+])C2)cn1 ZINC000339407148 386411657 /nfs/dbraw/zinc/41/16/57/386411657.db2.gz LZAAQWNCKKAFTO-AWEZNQCLSA-N 2 2 249.358 0.982 20 0 BCADLP Cc1ccc(CCC[N@H+]2CCO[C@@H](C[NH3+])C2)cn1 ZINC000339407148 386411664 /nfs/dbraw/zinc/41/16/64/386411664.db2.gz LZAAQWNCKKAFTO-AWEZNQCLSA-N 2 2 249.358 0.982 20 0 BCADLP C[NH+](C)C[C@@H]1C[N@H+](C[C@H]2CCOC2)CCO1 ZINC000336709329 386423499 /nfs/dbraw/zinc/42/34/99/386423499.db2.gz WSIJLQJBEUHXKK-VXGBXAGGSA-N 2 2 228.336 0.285 20 0 BCADLP C[NH+](C)C[C@@H]1C[N@@H+](C[C@H]2CCOC2)CCO1 ZINC000336709329 386423501 /nfs/dbraw/zinc/42/35/01/386423501.db2.gz WSIJLQJBEUHXKK-VXGBXAGGSA-N 2 2 228.336 0.285 20 0 BCADLP CCN(C)c1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cn1 ZINC000415043828 386528590 /nfs/dbraw/zinc/52/85/90/386528590.db2.gz USCCQBFAQMVZFD-IMRBUKKESA-N 2 2 246.358 0.845 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CC2([S@@](C)=O)CC2)n1C ZINC000519552468 386487326 /nfs/dbraw/zinc/48/73/26/386487326.db2.gz OZAOEARGDCERKA-MRXNPFEDSA-N 2 2 241.360 0.729 20 0 BCADLP CC[C@@H](Cn1cncn1)[NH2+]CC1([NH+](C)C)CC1 ZINC000417353285 386490880 /nfs/dbraw/zinc/49/08/80/386490880.db2.gz ILQFFQHSVLMUGJ-NSHDSACASA-N 2 2 237.351 0.741 20 0 BCADLP CC[C@H](Cn1cncn1)[NH2+]CC1([NH+](C)C)CC1 ZINC000417353284 386491010 /nfs/dbraw/zinc/49/10/10/386491010.db2.gz ILQFFQHSVLMUGJ-LLVKDONJSA-N 2 2 237.351 0.741 20 0 BCADLP C[C@@H](Cn1cccn1)[NH2+]CC1([NH+](C)C)CC1 ZINC000417351283 386491669 /nfs/dbraw/zinc/49/16/69/386491669.db2.gz BYUSEHRMYCIJBE-NSHDSACASA-N 2 2 222.336 0.955 20 0 BCADLP Cc1c[nH]nc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000335447312 386514371 /nfs/dbraw/zinc/51/43/71/386514371.db2.gz DPQAQYJYHPDZBY-MNOVXSKESA-N 2 2 220.320 0.759 20 0 BCADLP Cc1c[nH]nc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000335447312 386514375 /nfs/dbraw/zinc/51/43/75/386514375.db2.gz DPQAQYJYHPDZBY-MNOVXSKESA-N 2 2 220.320 0.759 20 0 BCADLP Cn1c(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)nc2ccccc21 ZINC000415031610 386518599 /nfs/dbraw/zinc/51/85/99/386518599.db2.gz GJWYERQFYPMTJD-MSRIBSCDSA-N 2 2 242.326 0.881 20 0 BCADLP Cc1c[nH]nc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000335449341 386519412 /nfs/dbraw/zinc/51/94/12/386519412.db2.gz ZNQXNYPYWAQSEO-QWRGUYRKSA-N 2 2 220.320 0.902 20 0 BCADLP Cc1c[nH]nc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000335449341 386519416 /nfs/dbraw/zinc/51/94/16/386519416.db2.gz ZNQXNYPYWAQSEO-QWRGUYRKSA-N 2 2 220.320 0.902 20 0 BCADLP CC[N@H+](CC(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC000291196674 386522124 /nfs/dbraw/zinc/52/21/24/386522124.db2.gz UKJHWDUCZIXMSA-UHFFFAOYSA-N 2 2 248.330 0.710 20 0 BCADLP CC[N@@H+](CC(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC000291196674 386522131 /nfs/dbraw/zinc/52/21/31/386522131.db2.gz UKJHWDUCZIXMSA-UHFFFAOYSA-N 2 2 248.330 0.710 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CNc3ccnn3C2)C1 ZINC000648043830 386524715 /nfs/dbraw/zinc/52/47/15/386524715.db2.gz ISRIPMYCURAOFO-NEPJUHHUSA-N 2 2 249.362 0.609 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CNc3ccnn3C2)C1 ZINC000648043830 386524718 /nfs/dbraw/zinc/52/47/18/386524718.db2.gz ISRIPMYCURAOFO-NEPJUHHUSA-N 2 2 249.362 0.609 20 0 BCADLP O=C([C@H]1CC[NH2+]1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000335451188 386524822 /nfs/dbraw/zinc/52/48/22/386524822.db2.gz ACOLYHLIVYZRNU-NXEZZACHSA-N 2 2 234.303 0.825 20 0 BCADLP C[C@H](O)C[C@H](C)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336754859 386525742 /nfs/dbraw/zinc/52/57/42/386525742.db2.gz IOKNXBFNTBESND-BJDJZHNGSA-N 2 2 214.353 0.933 20 0 BCADLP C[C@H](O)C[C@H](C)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336754859 386525749 /nfs/dbraw/zinc/52/57/49/386525749.db2.gz IOKNXBFNTBESND-BJDJZHNGSA-N 2 2 214.353 0.933 20 0 BCADLP CC(C)C(=O)NCCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000339503374 386454868 /nfs/dbraw/zinc/45/48/68/386454868.db2.gz AKAHBQHRYGIEDE-NEPJUHHUSA-N 2 2 241.379 0.688 20 0 BCADLP CC(C)C(=O)NCCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000339503374 386454877 /nfs/dbraw/zinc/45/48/77/386454877.db2.gz AKAHBQHRYGIEDE-NEPJUHHUSA-N 2 2 241.379 0.688 20 0 BCADLP C[C@H](CNc1ncnc2c1C[N@H+](C)CC2)[NH+](C)C ZINC000299555153 386463972 /nfs/dbraw/zinc/46/39/72/386463972.db2.gz DBRJEEHTYBDUAR-SNVBAGLBSA-N 2 2 249.362 0.827 20 0 BCADLP C[C@H](CNc1ncnc2c1C[N@@H+](C)CC2)[NH+](C)C ZINC000299555153 386463977 /nfs/dbraw/zinc/46/39/77/386463977.db2.gz DBRJEEHTYBDUAR-SNVBAGLBSA-N 2 2 249.362 0.827 20 0 BCADLP C[C@@H](CNc1ncnc2c1C[N@H+](C)CC2)[NH+](C)C ZINC000299555147 386465182 /nfs/dbraw/zinc/46/51/82/386465182.db2.gz DBRJEEHTYBDUAR-JTQLQIEISA-N 2 2 249.362 0.827 20 0 BCADLP C[C@@H](CNc1ncnc2c1C[N@@H+](C)CC2)[NH+](C)C ZINC000299555147 386465188 /nfs/dbraw/zinc/46/51/88/386465188.db2.gz DBRJEEHTYBDUAR-JTQLQIEISA-N 2 2 249.362 0.827 20 0 BCADLP O=c1[nH]c2ccccc2n1CC[NH2+][C@H]1CC[NH2+]C1 ZINC000415077366 386576752 /nfs/dbraw/zinc/57/67/52/386576752.db2.gz DVPYZVKRVQHSJK-JTQLQIEISA-N 2 2 246.314 0.693 20 0 BCADLP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC000415076681 386578466 /nfs/dbraw/zinc/57/84/66/386578466.db2.gz DIDPBNKMYMGYSH-NWDGAFQWSA-N 2 2 241.379 0.959 20 0 BCADLP CC(C)n1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cn1 ZINC000415047956 386534092 /nfs/dbraw/zinc/53/40/92/386534092.db2.gz ZEPWDYFYVODVEW-GDNZZTSVSA-N 2 2 220.320 0.771 20 0 BCADLP C[N@@H+](Cc1cc(F)c(F)c(F)c1)C[C@@H](O)C[NH3+] ZINC000415053742 386534446 /nfs/dbraw/zinc/53/44/46/386534446.db2.gz KOCVOTIHPJWQRX-QMMMGPOBSA-N 2 2 248.248 0.855 20 0 BCADLP C[N@H+](Cc1cc(F)c(F)c(F)c1)C[C@@H](O)C[NH3+] ZINC000415053742 386534450 /nfs/dbraw/zinc/53/44/50/386534450.db2.gz KOCVOTIHPJWQRX-QMMMGPOBSA-N 2 2 248.248 0.855 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000399385791 386539231 /nfs/dbraw/zinc/53/92/31/386539231.db2.gz QDLDQPQVVSXYSO-KWQFWETISA-N 2 2 238.335 0.954 20 0 BCADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCC1 ZINC000267459031 386546381 /nfs/dbraw/zinc/54/63/81/386546381.db2.gz UOORWVADASJSEW-LLVKDONJSA-N 2 2 248.330 0.821 20 0 BCADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCC1 ZINC000267459031 386546388 /nfs/dbraw/zinc/54/63/88/386546388.db2.gz UOORWVADASJSEW-LLVKDONJSA-N 2 2 248.330 0.821 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000335463262 386547855 /nfs/dbraw/zinc/54/78/55/386547855.db2.gz BMKXDBCQNZYNRZ-DTORHVGOSA-N 2 2 205.261 0.488 20 0 BCADLP C1C[NH2+][C@H]([C@H]2CCC[C@@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415052500 386554001 /nfs/dbraw/zinc/55/40/01/386554001.db2.gz CYCXECXCGNGSMT-BSOLPCOYSA-N 3 2 235.375 0.715 20 0 BCADLP Cc1[nH+]cc(CNC2CC[NH+](C)CC2)n1C ZINC000519835398 386567542 /nfs/dbraw/zinc/56/75/42/386567542.db2.gz XVBIVNATVNSQHJ-UHFFFAOYSA-N 2 2 222.336 0.912 20 0 BCADLP c1c(CC[NH2+][C@@H]2CC[NH2+]C2)nc2ccccn12 ZINC000415106740 386628971 /nfs/dbraw/zinc/62/89/71/386628971.db2.gz NFTIFPUHNIHJQS-LLVKDONJSA-N 2 2 230.315 0.828 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000335501954 386629510 /nfs/dbraw/zinc/62/95/10/386629510.db2.gz TYEVRIQWFCFKHC-SKDRFNHKSA-N 2 2 217.272 0.502 20 0 BCADLP COC[C@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000279128970 386637468 /nfs/dbraw/zinc/63/74/68/386637468.db2.gz VUNATFJMORDKAW-NWDGAFQWSA-N 2 2 239.319 0.667 20 0 BCADLP CC[N@H+](C)CC[NH2+][C@H](COC)C1CCOCC1 ZINC000187857517 386645396 /nfs/dbraw/zinc/64/53/96/386645396.db2.gz SDQKNQMKWZZPIX-CYBMUJFWSA-N 2 2 244.379 0.969 20 0 BCADLP CC[N@@H+](C)CC[NH2+][C@H](COC)C1CCOCC1 ZINC000187857517 386645403 /nfs/dbraw/zinc/64/54/03/386645403.db2.gz SDQKNQMKWZZPIX-CYBMUJFWSA-N 2 2 244.379 0.969 20 0 BCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cccc(O)c1 ZINC000228723455 386605859 /nfs/dbraw/zinc/60/58/59/386605859.db2.gz RIRIZDGXTBTXAH-ZDUSSCGKSA-N 2 2 238.331 0.794 20 0 BCADLP CCCC[C@H](COC)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415091444 386610082 /nfs/dbraw/zinc/61/00/82/386610082.db2.gz CPXIVZKUXDMMSB-NEPJUHHUSA-N 2 2 230.352 0.770 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)nn1 ZINC000328687808 386613698 /nfs/dbraw/zinc/61/36/98/386613698.db2.gz ZINKPIDSIYOVGA-SNVBAGLBSA-N 2 2 246.318 0.538 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)nn1 ZINC000328687808 386613703 /nfs/dbraw/zinc/61/37/03/386613703.db2.gz ZINKPIDSIYOVGA-SNVBAGLBSA-N 2 2 246.318 0.538 20 0 BCADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c(=O)n1C ZINC000335494275 386613879 /nfs/dbraw/zinc/61/38/79/386613879.db2.gz YDWOZTLVEISWCA-ZWNOBZJWSA-N 2 2 249.358 0.781 20 0 BCADLP CC[C@@H]1C[C@H](C[NH2+]C[C@H]2C[NH2+]CCO2)CCO1 ZINC000415096199 386614730 /nfs/dbraw/zinc/61/47/30/386614730.db2.gz PHRWHFWBTYLQGN-JHJVBQTASA-N 2 2 242.363 0.770 20 0 BCADLP O=C1[C@H]([NH2+][C@H]2CCC[NH2+]C2)C[C@@H]2CCCCN12 ZINC000415095845 386614966 /nfs/dbraw/zinc/61/49/66/386614966.db2.gz OHVSKZRALIKSLD-SDDRHHMPSA-N 2 2 237.347 0.481 20 0 BCADLP CC[NH+](CC)CC(=O)NCc1c[nH+]c[nH]1 ZINC000330378385 386682190 /nfs/dbraw/zinc/68/21/90/386682190.db2.gz JVYZFHMEPBKTQS-UHFFFAOYSA-N 2 2 210.281 0.368 20 0 BCADLP CC[NH+](CC)CC(=O)NCc1c[nH]c[nH+]1 ZINC000330378385 386682200 /nfs/dbraw/zinc/68/22/00/386682200.db2.gz JVYZFHMEPBKTQS-UHFFFAOYSA-N 2 2 210.281 0.368 20 0 BCADLP CC[C@H](COC)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000414926282 386673788 /nfs/dbraw/zinc/67/37/88/386673788.db2.gz KTQVJYYAQCQOQA-AXFHLTTASA-N 2 2 200.326 0.999 20 0 BCADLP C[NH2+]CCNCc1c[nH+]c2cc(C)ccn12 ZINC000414821391 386678269 /nfs/dbraw/zinc/67/82/69/386678269.db2.gz LCRZLAHQMLKUKI-UHFFFAOYSA-N 2 2 218.304 0.952 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@H](C)C[NH+](C)C)c[nH+]1 ZINC000292500802 386679405 /nfs/dbraw/zinc/67/94/05/386679405.db2.gz XIZKVXDXYVSISX-QMMMGPOBSA-N 2 2 224.308 0.646 20 0 BCADLP COc1cc[nH+]cc1Cn1cc(C(C)(C)[NH3+])nn1 ZINC000310902089 386656909 /nfs/dbraw/zinc/65/69/09/386656909.db2.gz MZQSTJDDIYZUTI-UHFFFAOYSA-N 2 2 247.302 0.924 20 0 BCADLP CC(C)n1cc[nH+]c1CN(C)C1C[NH2+]C1 ZINC000357078976 386710267 /nfs/dbraw/zinc/71/02/67/386710267.db2.gz CCJUNFGWYRYQDN-UHFFFAOYSA-N 2 2 208.309 0.868 20 0 BCADLP Cc1cnc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000357079429 386711383 /nfs/dbraw/zinc/71/13/83/386711383.db2.gz SIGNKJMWPBPJGS-VXGBXAGGSA-N 2 2 232.331 0.826 20 0 BCADLP Cc1cnc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000357079429 386711392 /nfs/dbraw/zinc/71/13/92/386711392.db2.gz SIGNKJMWPBPJGS-VXGBXAGGSA-N 2 2 232.331 0.826 20 0 BCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000187889641 386685870 /nfs/dbraw/zinc/68/58/70/386685870.db2.gz KTSGXYNTNLWMQI-WDEREUQCSA-N 2 2 235.287 0.705 20 0 BCADLP C[N@H+](CCCS(C)(=O)=O)C1CC[NH2+]CC1 ZINC000063016242 386688438 /nfs/dbraw/zinc/68/84/38/386688438.db2.gz LSESLJWJFSZCGM-UHFFFAOYSA-N 2 2 234.365 0.105 20 0 BCADLP C[N@@H+](CCCS(C)(=O)=O)C1CC[NH2+]CC1 ZINC000063016242 386688443 /nfs/dbraw/zinc/68/84/43/386688443.db2.gz LSESLJWJFSZCGM-UHFFFAOYSA-N 2 2 234.365 0.105 20 0 BCADLP CC1(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C[NH2+]C1 ZINC000335472365 386692191 /nfs/dbraw/zinc/69/21/91/386692191.db2.gz YTVCUNZRTJUEFH-UHFFFAOYSA-N 2 2 248.330 0.725 20 0 BCADLP CC1(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[NH2+]C1 ZINC000335472365 386692197 /nfs/dbraw/zinc/69/21/97/386692197.db2.gz YTVCUNZRTJUEFH-UHFFFAOYSA-N 2 2 248.330 0.725 20 0 BCADLP C[NH2+]CC[NH2+][C@@H](C)CC(=O)N1CCCCCC1 ZINC000414833551 386712139 /nfs/dbraw/zinc/71/21/39/386712139.db2.gz SMMUYSYKCCHJGD-LBPRGKRZSA-N 2 2 241.379 0.977 20 0 BCADLP CC[NH2+]CC[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000414836904 386730906 /nfs/dbraw/zinc/73/09/06/386730906.db2.gz WXNCEPVAAKKRNA-UHFFFAOYSA-N 2 2 245.330 0.966 20 0 BCADLP [NH3+]CCOCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000357105872 386718016 /nfs/dbraw/zinc/71/80/16/386718016.db2.gz ODVKJVCTHQCXLN-NSHDSACASA-N 3 2 238.335 0.564 20 0 BCADLP [NH3+]CCOCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000357105872 386718026 /nfs/dbraw/zinc/71/80/26/386718026.db2.gz ODVKJVCTHQCXLN-NSHDSACASA-N 3 2 238.335 0.564 20 0 BCADLP [NH3+]CC[N@H+](CCO)Cc1ccc2ncccc2c1 ZINC000414928676 386719706 /nfs/dbraw/zinc/71/97/06/386719706.db2.gz NEZAOMKXFIKGCS-UHFFFAOYSA-N 2 2 245.326 0.988 20 0 BCADLP [NH3+]CC[N@@H+](CCO)Cc1ccc2ncccc2c1 ZINC000414928676 386719712 /nfs/dbraw/zinc/71/97/12/386719712.db2.gz NEZAOMKXFIKGCS-UHFFFAOYSA-N 2 2 245.326 0.988 20 0 BCADLP CN(CCC[NH2+]Cc1ccn[nH]1)CC[NH+](C)C ZINC000623087964 386722769 /nfs/dbraw/zinc/72/27/69/386722769.db2.gz QRKDNXBHTJAVTE-UHFFFAOYSA-N 2 2 239.367 0.383 20 0 BCADLP CC[NH2+]CC[NH2+]Cc1nc(C)ccc1O ZINC000414835675 386726958 /nfs/dbraw/zinc/72/69/58/386726958.db2.gz VLZQFFLIBRVVFO-UHFFFAOYSA-N 2 2 209.293 0.795 20 0 BCADLP CSCC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000340850768 386790164 /nfs/dbraw/zinc/79/01/64/386790164.db2.gz XEKJWYMXMHUZQC-UHFFFAOYSA-N 2 2 232.393 0.738 20 0 BCADLP CSCC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000340850768 386790171 /nfs/dbraw/zinc/79/01/71/386790171.db2.gz XEKJWYMXMHUZQC-UHFFFAOYSA-N 2 2 232.393 0.738 20 0 BCADLP O=C1NCC[C@@H]1[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000269264046 386770940 /nfs/dbraw/zinc/77/09/40/386770940.db2.gz FVJGHJTZOADBOJ-JTQLQIEISA-N 2 2 234.303 0.478 20 0 BCADLP C[NH+](C)[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000334638617 386778241 /nfs/dbraw/zinc/77/82/41/386778241.db2.gz NESIRVCTEXOSNC-WDEREUQCSA-N 2 2 225.336 0.291 20 0 BCADLP C[NH+](C)[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000334638617 386778245 /nfs/dbraw/zinc/77/82/45/386778245.db2.gz NESIRVCTEXOSNC-WDEREUQCSA-N 2 2 225.336 0.291 20 0 BCADLP [NH3+]C[C@@H]1CCCCN1CC[NH+]1CCOCC1 ZINC000019843402 386786608 /nfs/dbraw/zinc/78/66/08/386786608.db2.gz FAGHMTANGZMLNJ-LBPRGKRZSA-N 2 2 227.352 0.132 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCN1CCOCC1 ZINC000019843402 386786620 /nfs/dbraw/zinc/78/66/20/386786620.db2.gz FAGHMTANGZMLNJ-LBPRGKRZSA-N 2 2 227.352 0.132 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@H+]1CCN1CCOCC1 ZINC000019843402 386786628 /nfs/dbraw/zinc/78/66/28/386786628.db2.gz FAGHMTANGZMLNJ-LBPRGKRZSA-N 2 2 227.352 0.132 20 0 BCADLP CN(CC[NH3+])C(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000417843646 386800859 /nfs/dbraw/zinc/80/08/59/386800859.db2.gz QYNBTYKSVPFGHB-JTQLQIEISA-N 2 2 243.257 0.382 20 0 BCADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(=O)[nH]n1)C[NH+](C)C ZINC000293344169 386805436 /nfs/dbraw/zinc/80/54/36/386805436.db2.gz GRWKKXLZTZVLDP-UWVGGRQHSA-N 2 2 238.335 0.618 20 0 BCADLP C[C@H]1OCC[C@@H]1[N@H+](CCO)CCn1cc[nH+]c1 ZINC000330103645 386827693 /nfs/dbraw/zinc/82/76/93/386827693.db2.gz GLDVUWFRKNHXAL-NEPJUHHUSA-N 2 2 239.319 0.355 20 0 BCADLP C[C@H]1OCC[C@@H]1[N@@H+](CCO)CCn1cc[nH+]c1 ZINC000330103645 386827697 /nfs/dbraw/zinc/82/76/97/386827697.db2.gz GLDVUWFRKNHXAL-NEPJUHHUSA-N 2 2 239.319 0.355 20 0 BCADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000357778300 386842975 /nfs/dbraw/zinc/84/29/75/386842975.db2.gz NEXLGESZQLBWIJ-NEPJUHHUSA-N 2 2 237.347 0.963 20 0 BCADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@@](C)(O)C2)n1C ZINC000425340982 386843004 /nfs/dbraw/zinc/84/30/04/386843004.db2.gz WQBRAHNKVNGYES-GFCCVEGCSA-N 2 2 238.335 0.443 20 0 BCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@@](C)(O)C2)n1C ZINC000425340982 386843009 /nfs/dbraw/zinc/84/30/09/386843009.db2.gz WQBRAHNKVNGYES-GFCCVEGCSA-N 2 2 238.335 0.443 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CC[C@@H]1SC ZINC000425337368 386850227 /nfs/dbraw/zinc/85/02/27/386850227.db2.gz MRLONLUNCFZHMS-MNOVXSKESA-N 2 2 232.393 0.784 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CC[C@@H]1SC ZINC000425337368 386850231 /nfs/dbraw/zinc/85/02/31/386850231.db2.gz MRLONLUNCFZHMS-MNOVXSKESA-N 2 2 232.393 0.784 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H]1CC[C@H]1SC ZINC000425337372 386850663 /nfs/dbraw/zinc/85/06/63/386850663.db2.gz MRLONLUNCFZHMS-WDEREUQCSA-N 2 2 232.393 0.784 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CC[C@H]1SC ZINC000425337372 386850670 /nfs/dbraw/zinc/85/06/70/386850670.db2.gz MRLONLUNCFZHMS-WDEREUQCSA-N 2 2 232.393 0.784 20 0 BCADLP CN(CC[N@@H+]1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000358112030 386893298 /nfs/dbraw/zinc/89/32/98/386893298.db2.gz AEVSFEQTQOMFDZ-AWEZNQCLSA-N 2 2 249.358 0.782 20 0 BCADLP CN(CC[N@H+]1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000358112030 386893302 /nfs/dbraw/zinc/89/33/02/386893302.db2.gz AEVSFEQTQOMFDZ-AWEZNQCLSA-N 2 2 249.358 0.782 20 0 BCADLP CCOc1ccc(C[N@H+](CC[NH3+])CCO)cc1 ZINC000414941206 386881953 /nfs/dbraw/zinc/88/19/53/386881953.db2.gz YOQRWVHLDMXXLW-UHFFFAOYSA-N 2 2 238.331 0.838 20 0 BCADLP CCOc1ccc(C[N@@H+](CC[NH3+])CCO)cc1 ZINC000414941206 386881961 /nfs/dbraw/zinc/88/19/61/386881961.db2.gz YOQRWVHLDMXXLW-UHFFFAOYSA-N 2 2 238.331 0.838 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CC[NH+]2CCC1CC2 ZINC000335759253 386888109 /nfs/dbraw/zinc/88/81/09/386888109.db2.gz GUDMXEQSFXAQTJ-UHFFFAOYSA-N 2 2 248.330 0.580 20 0 BCADLP Oc1cc(F)cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000334848887 386896622 /nfs/dbraw/zinc/89/66/22/386896622.db2.gz UCXSLDKVAJSJBX-GDNZZTSVSA-N 2 2 222.263 0.839 20 0 BCADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCO[C@H]1C ZINC000358136692 386899092 /nfs/dbraw/zinc/89/90/92/386899092.db2.gz ACPWLCMDVCHKLA-FRRDWIJNSA-N 2 2 242.363 0.864 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cnc(N(C)C)nc1 ZINC000414942283 386901587 /nfs/dbraw/zinc/90/15/87/386901587.db2.gz ZOSSJFMKRWPNJS-PWSUYJOCSA-N 2 2 249.362 0.630 20 0 BCADLP Cn1c[nH+]cc1C[N@H+](C)[C@]1(CO)CCOC1 ZINC000330902127 386920939 /nfs/dbraw/zinc/92/09/39/386920939.db2.gz PREFMPAMAFKJER-NSHDSACASA-N 2 2 225.292 0.003 20 0 BCADLP Cn1c[nH+]cc1C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000330902127 386920944 /nfs/dbraw/zinc/92/09/44/386920944.db2.gz PREFMPAMAFKJER-NSHDSACASA-N 2 2 225.292 0.003 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccnn1C ZINC000334865445 386921358 /nfs/dbraw/zinc/92/13/58/386921358.db2.gz SZNJDTUXAKHLMJ-ONGXEEELSA-N 2 2 208.309 0.508 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)CCC(=O)Nc1cccnc1 ZINC000358322098 386935245 /nfs/dbraw/zinc/93/52/45/386935245.db2.gz POBQQLOQYNQBCH-JTQLQIEISA-N 2 2 236.319 0.689 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)CCC(=O)Nc1cccnc1 ZINC000358322098 386935248 /nfs/dbraw/zinc/93/52/48/386935248.db2.gz POBQQLOQYNQBCH-JTQLQIEISA-N 2 2 236.319 0.689 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1COC(C)(C)C1 ZINC000418016950 386939318 /nfs/dbraw/zinc/93/93/18/386939318.db2.gz XLJJIBRGGNXEHP-NSHDSACASA-N 2 2 230.352 0.458 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1COC(C)(C)C1 ZINC000418016950 386939321 /nfs/dbraw/zinc/93/93/21/386939321.db2.gz XLJJIBRGGNXEHP-NSHDSACASA-N 2 2 230.352 0.458 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000334822416 386952837 /nfs/dbraw/zinc/95/28/37/386952837.db2.gz SHJGKFDBJPZCDU-SKDRFNHKSA-N 2 2 248.330 0.931 20 0 BCADLP Cc1cc(NC(=O)NC[C@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000334822196 386953007 /nfs/dbraw/zinc/95/30/07/386953007.db2.gz CATFVGDRIXZAQQ-NSHDSACASA-N 2 2 248.330 0.933 20 0 BCADLP COC[C@H](C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)OC ZINC000358428964 386954613 /nfs/dbraw/zinc/95/46/13/386954613.db2.gz FFJQSVIUZJJUIZ-KGYLQXTDSA-N 2 2 242.363 0.720 20 0 BCADLP COC[C@H](C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)OC ZINC000358428964 386954618 /nfs/dbraw/zinc/95/46/18/386954618.db2.gz FFJQSVIUZJJUIZ-KGYLQXTDSA-N 2 2 242.363 0.720 20 0 BCADLP CC(C)[NH+]1CCC([NH2+]C2(C(N)=O)CC2)CC1 ZINC000191489217 386956167 /nfs/dbraw/zinc/95/61/67/386956167.db2.gz OUPGLKGQKYKERO-UHFFFAOYSA-N 2 2 225.336 0.467 20 0 BCADLP CC(C)[C@@H](O)C[N@@H+]1CCCC[C@@H]1C(=[NH2+])NO ZINC000368390949 386968890 /nfs/dbraw/zinc/96/88/90/386968890.db2.gz CGIYDQWGWDHWFW-ZJUUUORDSA-N 2 2 229.324 0.814 20 0 BCADLP CC(C)[C@@H](O)C[N@H+]1CCCC[C@@H]1C(=[NH2+])NO ZINC000368390949 386968897 /nfs/dbraw/zinc/96/88/97/386968897.db2.gz CGIYDQWGWDHWFW-ZJUUUORDSA-N 2 2 229.324 0.814 20 0 BCADLP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368488273 386979729 /nfs/dbraw/zinc/97/97/29/386979729.db2.gz ZSPXEAUWYBTFCE-QMMMGPOBSA-N 2 2 249.305 0.427 20 0 BCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)C[NH+](C)C ZINC000519020744 386988116 /nfs/dbraw/zinc/98/81/16/386988116.db2.gz RLNJSELSCAOKSO-SNVBAGLBSA-N 2 2 213.325 0.101 20 0 BCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)C[NH+](C)C ZINC000519020744 386988120 /nfs/dbraw/zinc/98/81/20/386988120.db2.gz RLNJSELSCAOKSO-SNVBAGLBSA-N 2 2 213.325 0.101 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000334821295 386949622 /nfs/dbraw/zinc/94/96/22/386949622.db2.gz MJGCAJZLWXAPHC-SNVBAGLBSA-N 2 2 234.303 0.638 20 0 BCADLP C[C@H](C[NH3+])[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000161999267 387059589 /nfs/dbraw/zinc/05/95/89/387059589.db2.gz TXJNUOVOUWKPJA-SECBINFHSA-N 2 2 222.288 0.895 20 0 BCADLP C[C@@H]1CC[C@H](O)C[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000399487100 387017006 /nfs/dbraw/zinc/01/70/06/387017006.db2.gz RWWLWJKVQGYDAK-WXHSDQCUSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@@H]1CC[C@H](O)C[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000399487100 387017011 /nfs/dbraw/zinc/01/70/11/387017011.db2.gz RWWLWJKVQGYDAK-WXHSDQCUSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@@H]1CC[C@H](O)C[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000399487100 387017013 /nfs/dbraw/zinc/01/70/13/387017013.db2.gz RWWLWJKVQGYDAK-WXHSDQCUSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@@H]1CC[C@H](O)C[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000399487100 387017018 /nfs/dbraw/zinc/01/70/18/387017018.db2.gz RWWLWJKVQGYDAK-WXHSDQCUSA-N 2 2 242.363 0.287 20 0 BCADLP CCNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246316693 387071004 /nfs/dbraw/zinc/07/10/04/387071004.db2.gz AFNNDJJHIPBLQD-QWRGUYRKSA-N 2 2 227.352 0.537 20 0 BCADLP CCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246316693 387071006 /nfs/dbraw/zinc/07/10/06/387071006.db2.gz AFNNDJJHIPBLQD-QWRGUYRKSA-N 2 2 227.352 0.537 20 0 BCADLP CCNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246316693 387071007 /nfs/dbraw/zinc/07/10/07/387071007.db2.gz AFNNDJJHIPBLQD-QWRGUYRKSA-N 2 2 227.352 0.537 20 0 BCADLP CCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246316693 387071009 /nfs/dbraw/zinc/07/10/09/387071009.db2.gz AFNNDJJHIPBLQD-QWRGUYRKSA-N 2 2 227.352 0.537 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000070854752 387078788 /nfs/dbraw/zinc/07/87/88/387078788.db2.gz FHVDRRJKVYRNNF-NSHDSACASA-N 2 2 222.292 0.036 20 0 BCADLP COC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)C1CC1 ZINC000228166697 387079493 /nfs/dbraw/zinc/07/94/93/387079493.db2.gz WBQLMOCULALFHF-CHWSQXEVSA-N 2 2 241.379 0.247 20 0 BCADLP COC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC000228166697 387079497 /nfs/dbraw/zinc/07/94/97/387079497.db2.gz WBQLMOCULALFHF-CHWSQXEVSA-N 2 2 241.379 0.247 20 0 BCADLP CC[C@@H](C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000334996805 387088488 /nfs/dbraw/zinc/08/84/88/387088488.db2.gz UYNFIVOIIFGJGW-VXGBXAGGSA-N 2 2 239.363 0.681 20 0 BCADLP CC[C@@H](C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000334996805 387088490 /nfs/dbraw/zinc/08/84/90/387088490.db2.gz UYNFIVOIIFGJGW-VXGBXAGGSA-N 2 2 239.363 0.681 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000070799878 387089914 /nfs/dbraw/zinc/08/99/14/387089914.db2.gz JIBFJWPIIHEHEM-NSHDSACASA-N 2 2 227.352 0.396 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000070799878 387089920 /nfs/dbraw/zinc/08/99/20/387089920.db2.gz JIBFJWPIIHEHEM-NSHDSACASA-N 2 2 227.352 0.396 20 0 BCADLP COCC[C@](C)(O)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336765516 387094411 /nfs/dbraw/zinc/09/44/11/387094411.db2.gz OCUBEPXFTQRVOB-WOPDTQHZSA-N 2 2 230.352 0.314 20 0 BCADLP COCC[C@](C)(O)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336765516 387094414 /nfs/dbraw/zinc/09/44/14/387094414.db2.gz OCUBEPXFTQRVOB-WOPDTQHZSA-N 2 2 230.352 0.314 20 0 BCADLP COCC[NH2+]CC[NH2+][C@@H](C)[C@H](C)OC ZINC000423316580 387155980 /nfs/dbraw/zinc/15/59/80/387155980.db2.gz ADIANQBJDIFTBY-UWVGGRQHSA-N 2 2 204.314 0.235 20 0 BCADLP Cc1[nH+]ccn1CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000571767922 387166112 /nfs/dbraw/zinc/16/61/12/387166112.db2.gz GFPWDWWXPFHDNQ-UHFFFAOYSA-N 2 2 247.302 0.966 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423331274 387175197 /nfs/dbraw/zinc/17/51/97/387175197.db2.gz CQORYPTUMLARAO-BXUZGUMPSA-N 3 2 235.375 0.978 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423331274 387175201 /nfs/dbraw/zinc/17/52/01/387175201.db2.gz CQORYPTUMLARAO-BXUZGUMPSA-N 3 2 235.375 0.978 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCC[NH3+] ZINC000423333034 387178114 /nfs/dbraw/zinc/17/81/14/387178114.db2.gz NTPUJCPJCZFXHC-CMPLNLGQSA-N 3 2 211.353 0.798 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCC[NH3+] ZINC000423333034 387178118 /nfs/dbraw/zinc/17/81/18/387178118.db2.gz NTPUJCPJCZFXHC-CMPLNLGQSA-N 3 2 211.353 0.798 20 0 BCADLP C[C@@H](CNC(=O)C1(C)C[NH2+]C1)Cn1cc[nH+]c1 ZINC000423333064 387178462 /nfs/dbraw/zinc/17/84/62/387178462.db2.gz DSHJVXWFCTUYCI-JTQLQIEISA-N 2 2 236.319 0.245 20 0 BCADLP CN(CCC[NH+]1CCOCC1)[C@H](C[NH3+])C1CC1 ZINC000359893334 387186017 /nfs/dbraw/zinc/18/60/17/387186017.db2.gz CBISZYDIAFJHHP-CYBMUJFWSA-N 2 2 241.379 0.378 20 0 BCADLP CCn1ncnc1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000229599431 387187688 /nfs/dbraw/zinc/18/76/88/387187688.db2.gz BWJIRUUGZIJAEU-QWRGUYRKSA-N 2 2 237.351 0.728 20 0 BCADLP CCn1ncnc1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000229599431 387187693 /nfs/dbraw/zinc/18/76/93/387187693.db2.gz BWJIRUUGZIJAEU-QWRGUYRKSA-N 2 2 237.351 0.728 20 0 BCADLP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423303860 387137285 /nfs/dbraw/zinc/13/72/85/387137285.db2.gz MRVIPYMXZGTSPO-WOPDTQHZSA-N 3 2 211.353 0.846 20 0 BCADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cn(C)nn1 ZINC000359641557 387138011 /nfs/dbraw/zinc/13/80/11/387138011.db2.gz XFCDOEHOXKMEAL-UHFFFAOYSA-N 2 2 234.307 0.534 20 0 BCADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cn(C)nn1 ZINC000359641557 387138014 /nfs/dbraw/zinc/13/80/14/387138014.db2.gz XFCDOEHOXKMEAL-UHFFFAOYSA-N 2 2 234.307 0.534 20 0 BCADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423304915 387139174 /nfs/dbraw/zinc/13/91/74/387139174.db2.gz PVKGBIJJVHFCRU-SDDRHHMPSA-N 3 2 211.353 0.716 20 0 BCADLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423304916 387140450 /nfs/dbraw/zinc/14/04/50/387140450.db2.gz PVKGBIJJVHFCRU-SRVKXCTJSA-N 3 2 211.353 0.716 20 0 BCADLP C[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000571910256 387203513 /nfs/dbraw/zinc/20/35/13/387203513.db2.gz NWWLMKSECTXVQB-CMPLNLGQSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000571910256 387203518 /nfs/dbraw/zinc/20/35/18/387203518.db2.gz NWWLMKSECTXVQB-CMPLNLGQSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423357131 387207405 /nfs/dbraw/zinc/20/74/05/387207405.db2.gz HUJDKORRHKQFJS-UMSGYPCISA-N 3 2 241.379 0.341 20 0 BCADLP CC(C)[C@H](O)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000229973757 387208173 /nfs/dbraw/zinc/20/81/73/387208173.db2.gz SJVPBVYXRJDUPO-IJLUTSLNSA-N 2 2 230.352 0.360 20 0 BCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423356501 387208719 /nfs/dbraw/zinc/20/87/19/387208719.db2.gz JZYUGLTXBUFMIG-YNEHKIRRSA-N 3 2 241.379 0.485 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000292049119 387220658 /nfs/dbraw/zinc/22/06/58/387220658.db2.gz IXRYFASTNGGCSS-SNVBAGLBSA-N 2 2 236.319 0.867 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)[C@H]1C[C@H]1C ZINC000321468292 387230964 /nfs/dbraw/zinc/23/09/64/387230964.db2.gz DAOBZOZJAHILGB-LPWJVIDDSA-N 2 2 225.380 0.866 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)[C@H]1C[C@H]1C ZINC000321468292 387230969 /nfs/dbraw/zinc/23/09/69/387230969.db2.gz DAOBZOZJAHILGB-LPWJVIDDSA-N 2 2 225.380 0.866 20 0 BCADLP Cc1cc(CNC(=O)NC[C@H](C)[NH3+])cc(C)[nH+]1 ZINC000643438731 387239823 /nfs/dbraw/zinc/23/98/23/387239823.db2.gz CJDAONYMRPJHKM-QMMMGPOBSA-N 2 2 236.319 0.845 20 0 BCADLP COC[C@]1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CCC[NH2+]1 ZINC000423416541 387249142 /nfs/dbraw/zinc/24/91/42/387249142.db2.gz QXMJNIFWMPFBLX-RWMBFGLXSA-N 3 2 241.379 0.472 20 0 BCADLP CC[C@H](Cn1cncn1)[NH2+]CC(C)(C)[NH+](C)C ZINC000353427438 387198426 /nfs/dbraw/zinc/19/84/26/387198426.db2.gz OGEMRJFTTDUDEW-LLVKDONJSA-N 2 2 239.367 0.987 20 0 BCADLP C[C@H]([NH2+]CC(=O)NCC1CC1)[C@@H]1CCCC[NH2+]1 ZINC000393062191 387313851 /nfs/dbraw/zinc/31/38/51/387313851.db2.gz QCGMTWPOLBSJJK-JQWIXIFHSA-N 2 2 239.363 0.633 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)CC1(C[NH3+])CC1 ZINC000423377470 387260508 /nfs/dbraw/zinc/26/05/08/387260508.db2.gz LTKKMAQDEQOFFO-UHFFFAOYSA-N 2 2 219.288 0.879 20 0 BCADLP CCn1cc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cn1 ZINC000423437833 387287655 /nfs/dbraw/zinc/28/76/55/387287655.db2.gz QWAVPWGDKXJZQL-OHBODLIOSA-N 2 2 220.320 0.771 20 0 BCADLP COC[C@H](C)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000648647449 387295791 /nfs/dbraw/zinc/29/57/91/387295791.db2.gz IZZGWOWCVGABKO-OLZOCXBDSA-N 2 2 244.379 0.705 20 0 BCADLP COC[C@H](C)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000648647449 387295795 /nfs/dbraw/zinc/29/57/95/387295795.db2.gz IZZGWOWCVGABKO-OLZOCXBDSA-N 2 2 244.379 0.705 20 0 BCADLP CNc1[nH+]cnc2c1cnn2CC[C@@H]1CC[NH2+]C1 ZINC000514932034 387308450 /nfs/dbraw/zinc/30/84/50/387308450.db2.gz OGHBAGAPIDKQGM-VIFPVBQESA-N 2 2 246.318 0.868 20 0 BCADLP C[C@@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)[NH+](C)C ZINC000360821717 387354228 /nfs/dbraw/zinc/35/42/28/387354228.db2.gz ZWJUPCFBCIBKSU-JGVFFNPUSA-N 2 2 235.278 0.050 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502431 387366754 /nfs/dbraw/zinc/36/67/54/387366754.db2.gz GBXAAVOYKAAIAV-SRVKXCTJSA-N 3 2 211.353 0.846 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423553608 387373218 /nfs/dbraw/zinc/37/32/18/387373218.db2.gz KNVFCNGXGWRXET-UPJWGTAASA-N 3 2 241.379 0.485 20 0 BCADLP CC[C@H]([NH3+])C[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000423479935 387326136 /nfs/dbraw/zinc/32/61/36/387326136.db2.gz VQCVKAFCXLSNMC-NHCYSSNCSA-N 2 2 211.353 0.796 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423430662 387327732 /nfs/dbraw/zinc/32/77/32/387327732.db2.gz IDVGWGDLUBRWJX-DEQVHRJGSA-N 3 2 237.391 0.914 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423430662 387327738 /nfs/dbraw/zinc/32/77/38/387327738.db2.gz IDVGWGDLUBRWJX-DEQVHRJGSA-N 3 2 237.391 0.914 20 0 BCADLP C[NH2+]CCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000515140266 387340319 /nfs/dbraw/zinc/34/03/19/387340319.db2.gz ODADNKIWGVQKDW-UHFFFAOYSA-N 2 2 222.292 0.461 20 0 BCADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423504953 387342115 /nfs/dbraw/zinc/34/21/15/387342115.db2.gz GHCQDSGJHLJONT-OLZOCXBDSA-N 2 2 248.374 0.944 20 0 BCADLP C[N@@H+]1CCCC12CC[NH+]([C@H]1COC[C@@H]1O)CC2 ZINC000361348059 387444638 /nfs/dbraw/zinc/44/46/38/387444638.db2.gz GVLQZIXZXNOZJR-RYUDHWBXSA-N 2 2 240.347 0.306 20 0 BCADLP C[N@H+]1CCCC12CC[NH+]([C@H]1COC[C@@H]1O)CC2 ZINC000361348059 387444643 /nfs/dbraw/zinc/44/46/43/387444643.db2.gz GVLQZIXZXNOZJR-RYUDHWBXSA-N 2 2 240.347 0.306 20 0 BCADLP CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000354983042 387459022 /nfs/dbraw/zinc/45/90/22/387459022.db2.gz NTMAAPMTODNGDE-WUHRBBMRSA-N 2 2 242.363 0.720 20 0 BCADLP CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000354983042 387459026 /nfs/dbraw/zinc/45/90/26/387459026.db2.gz NTMAAPMTODNGDE-WUHRBBMRSA-N 2 2 242.363 0.720 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c[nH+]1 ZINC000423633244 387390195 /nfs/dbraw/zinc/39/01/95/387390195.db2.gz KZUAOSKNSYJSID-SOCHQFKDSA-N 2 2 236.319 0.834 20 0 BCADLP CC[C@@H](C)[N@H+](CCO)CCn1cc[nH+]c1 ZINC000287567564 387460151 /nfs/dbraw/zinc/46/01/51/387460151.db2.gz XFOFDGFBVCPOLO-LLVKDONJSA-N 2 2 211.309 0.976 20 0 BCADLP CC[C@@H](C)[N@@H+](CCO)CCn1cc[nH+]c1 ZINC000287567564 387460155 /nfs/dbraw/zinc/46/01/55/387460155.db2.gz XFOFDGFBVCPOLO-LLVKDONJSA-N 2 2 211.309 0.976 20 0 BCADLP CCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000354983041 387460158 /nfs/dbraw/zinc/46/01/58/387460158.db2.gz NTMAAPMTODNGDE-MROQNXINSA-N 2 2 242.363 0.720 20 0 BCADLP CCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000354983041 387460161 /nfs/dbraw/zinc/46/01/61/387460161.db2.gz NTMAAPMTODNGDE-MROQNXINSA-N 2 2 242.363 0.720 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000373890087 387400575 /nfs/dbraw/zinc/40/05/75/387400575.db2.gz CNJMGWYCKPZGEK-CIUDSAMLSA-N 2 2 247.289 0.240 20 0 BCADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)[C@H]1CCC[NH2+]1 ZINC000643474903 387496533 /nfs/dbraw/zinc/49/65/33/387496533.db2.gz MDAMZZNTSZATSU-RVMXOQNASA-N 2 2 241.379 0.436 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC000355317981 387519154 /nfs/dbraw/zinc/51/91/54/387519154.db2.gz KZBHIPWBLMPREO-NSHDSACASA-N 2 2 225.336 0.102 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC000355317981 387519158 /nfs/dbraw/zinc/51/91/58/387519158.db2.gz KZBHIPWBLMPREO-NSHDSACASA-N 2 2 225.336 0.102 20 0 BCADLP C[NH2+]CCCN(C)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000424020225 387468565 /nfs/dbraw/zinc/46/85/65/387468565.db2.gz OIQMXVNQYQSSEB-QMMMGPOBSA-N 2 2 235.278 0.052 20 0 BCADLP CCOCCNC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430549220 387628486 /nfs/dbraw/zinc/62/84/86/387628486.db2.gz IAYJZDKMZIACFL-LBPRGKRZSA-N 2 2 245.367 0.102 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000362297722 387594700 /nfs/dbraw/zinc/59/47/00/387594700.db2.gz DCDZISCWTNFNFS-VHSXEESVSA-N 2 2 240.351 0.999 20 0 BCADLP Cc1cc(CNC(=O)NCCC[NH3+])cc(C)[nH+]1 ZINC000422606408 387605090 /nfs/dbraw/zinc/60/50/90/387605090.db2.gz IRLLXLLYPDJQMZ-UHFFFAOYSA-N 2 2 236.319 0.846 20 0 BCADLP Cc1cc(CNC(=O)N[C@H](C)C[NH3+])cc(C)[nH+]1 ZINC000422610846 387607457 /nfs/dbraw/zinc/60/74/57/387607457.db2.gz QYMFXRKGSBIZAB-SNVBAGLBSA-N 2 2 236.319 0.845 20 0 BCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCC[NH3+] ZINC000422707624 387619927 /nfs/dbraw/zinc/61/99/27/387619927.db2.gz WSOQINRXDDGKKF-STQMWFEESA-N 3 2 243.395 0.814 20 0 BCADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCC[NH3+] ZINC000422707624 387619933 /nfs/dbraw/zinc/61/99/33/387619933.db2.gz WSOQINRXDDGKKF-STQMWFEESA-N 3 2 243.395 0.814 20 0 BCADLP CC[C@H](C)[C@H](O)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422708574 387623904 /nfs/dbraw/zinc/62/39/04/387623904.db2.gz JGLLISICEUFOSN-UMSGYPCISA-N 2 2 244.379 0.750 20 0 BCADLP C[C@H](CO)[N@@H+]1CCCN(Cc2[nH]cc[nH+]2)CC1 ZINC000375498336 387545896 /nfs/dbraw/zinc/54/58/96/387545896.db2.gz RWYVOLBRWPTMCW-LLVKDONJSA-N 2 2 238.335 0.298 20 0 BCADLP C[C@H](CO)[N@H+]1CCCN(Cc2[nH]cc[nH+]2)CC1 ZINC000375498336 387545899 /nfs/dbraw/zinc/54/58/99/387545899.db2.gz RWYVOLBRWPTMCW-LLVKDONJSA-N 2 2 238.335 0.298 20 0 BCADLP COC[C@H](CO)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000355537424 387549453 /nfs/dbraw/zinc/54/94/53/387549453.db2.gz UDFQAPKQWYDSIS-ZDUSSCGKSA-N 2 2 238.331 0.920 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(C)C2=O)CC[N@@H+]1C ZINC000361965809 387555970 /nfs/dbraw/zinc/55/59/70/387555970.db2.gz DUVXTGJMXXNJHP-UTUOFQBUSA-N 2 2 239.363 0.680 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(C)C2=O)CC[N@H+]1C ZINC000361965809 387555972 /nfs/dbraw/zinc/55/59/72/387555972.db2.gz DUVXTGJMXXNJHP-UTUOFQBUSA-N 2 2 239.363 0.680 20 0 BCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccncc1 ZINC000037889167 387566858 /nfs/dbraw/zinc/56/68/58/387566858.db2.gz ZLEUIBUOCKWFFF-ZYHUDNBSSA-N 2 2 223.320 0.655 20 0 BCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccnc1 ZINC000037889092 387568129 /nfs/dbraw/zinc/56/81/29/387568129.db2.gz ZUUOCBFUDYMENO-CMPLNLGQSA-N 2 2 223.320 0.655 20 0 BCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCOC[C@H](O)C1 ZINC000399859717 387575684 /nfs/dbraw/zinc/57/56/84/387575684.db2.gz LJHZFUKDDBSSFL-CHWSQXEVSA-N 2 2 242.363 0.554 20 0 BCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCOC[C@H](O)C1 ZINC000399859717 387575688 /nfs/dbraw/zinc/57/56/88/387575688.db2.gz LJHZFUKDDBSSFL-CHWSQXEVSA-N 2 2 242.363 0.554 20 0 BCADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCOC[C@H](O)C1 ZINC000399859717 387575690 /nfs/dbraw/zinc/57/56/90/387575690.db2.gz LJHZFUKDDBSSFL-CHWSQXEVSA-N 2 2 242.363 0.554 20 0 BCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCOC[C@H](O)C1 ZINC000399859717 387575695 /nfs/dbraw/zinc/57/56/95/387575695.db2.gz LJHZFUKDDBSSFL-CHWSQXEVSA-N 2 2 242.363 0.554 20 0 BCADLP CCN(C)C(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000355741604 387575827 /nfs/dbraw/zinc/57/58/27/387575827.db2.gz AVTTZAXOKOFJIC-GFCCVEGCSA-N 2 2 241.379 0.738 20 0 BCADLP CCN(C)C(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000355741604 387575830 /nfs/dbraw/zinc/57/58/30/387575830.db2.gz AVTTZAXOKOFJIC-GFCCVEGCSA-N 2 2 241.379 0.738 20 0 BCADLP CCN(C)C(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000355741604 387575832 /nfs/dbraw/zinc/57/58/32/387575832.db2.gz AVTTZAXOKOFJIC-GFCCVEGCSA-N 2 2 241.379 0.738 20 0 BCADLP CCN(C)C(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000355741604 387575835 /nfs/dbraw/zinc/57/58/35/387575835.db2.gz AVTTZAXOKOFJIC-GFCCVEGCSA-N 2 2 241.379 0.738 20 0 BCADLP CN(CC1CC1)C(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000430596602 387629893 /nfs/dbraw/zinc/62/98/93/387629893.db2.gz XGFZEMXJVDWUFP-UHFFFAOYSA-N 2 2 241.379 0.772 20 0 BCADLP CN(CC1CC1)C(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430596602 387629896 /nfs/dbraw/zinc/62/98/96/387629896.db2.gz XGFZEMXJVDWUFP-UHFFFAOYSA-N 2 2 241.379 0.772 20 0 BCADLP CN(C)C(=O)C[N@H+](C)CCC[NH+]1CCCCC1 ZINC000124728993 387630325 /nfs/dbraw/zinc/63/03/25/387630325.db2.gz QUTFFIKRPPJEFB-UHFFFAOYSA-N 2 2 241.379 0.882 20 0 BCADLP CN(C)C(=O)C[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000124728993 387630327 /nfs/dbraw/zinc/63/03/27/387630327.db2.gz QUTFFIKRPPJEFB-UHFFFAOYSA-N 2 2 241.379 0.882 20 0 BCADLP CC[N@H+](C)CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422718185 387630629 /nfs/dbraw/zinc/63/06/29/387630629.db2.gz PGTNJPUUJBFXEP-NWDGAFQWSA-N 3 2 213.369 0.916 20 0 BCADLP CC[N@@H+](C)CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422718185 387630631 /nfs/dbraw/zinc/63/06/31/387630631.db2.gz PGTNJPUUJBFXEP-NWDGAFQWSA-N 3 2 213.369 0.916 20 0 BCADLP C[N@H+](CC(=O)NCC1CCC1)CC(C)(C)C[NH3+] ZINC000430593596 387630867 /nfs/dbraw/zinc/63/08/67/387630867.db2.gz SXGFZZOERPAKRB-UHFFFAOYSA-N 2 2 241.379 0.819 20 0 BCADLP C[N@@H+](CC(=O)NCC1CCC1)CC(C)(C)C[NH3+] ZINC000430593596 387630869 /nfs/dbraw/zinc/63/08/69/387630869.db2.gz SXGFZZOERPAKRB-UHFFFAOYSA-N 2 2 241.379 0.819 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCN1CCCC1=O ZINC000430603435 387632220 /nfs/dbraw/zinc/63/22/20/387632220.db2.gz KCXKSCJQNFBZCC-NSHDSACASA-N 2 2 225.336 0.422 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@H+]1CCN1CCCC1=O ZINC000430603435 387632223 /nfs/dbraw/zinc/63/22/23/387632223.db2.gz KCXKSCJQNFBZCC-NSHDSACASA-N 2 2 225.336 0.422 20 0 BCADLP C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000422720390 387633929 /nfs/dbraw/zinc/63/39/29/387633929.db2.gz SJXSRQYYWSHGNE-YNEHKIRRSA-N 2 2 241.379 0.437 20 0 BCADLP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000400754701 387638127 /nfs/dbraw/zinc/63/81/27/387638127.db2.gz WQFDYDVBMSRICI-WOPDTQHZSA-N 2 2 239.363 0.727 20 0 BCADLP CC(C)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422733864 387640072 /nfs/dbraw/zinc/64/00/72/387640072.db2.gz RUENFFVVLGQXAI-NEPJUHHUSA-N 2 2 212.337 0.999 20 0 BCADLP C[C@H](CNC(=O)C[C@H](C)[NH3+])Cn1cc[nH+]c1 ZINC000430694714 387640126 /nfs/dbraw/zinc/64/01/26/387640126.db2.gz KZDVMNGCMNMTRO-ZJUUUORDSA-N 2 2 224.308 0.373 20 0 BCADLP COCC[NH2+]CC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000643517180 387640802 /nfs/dbraw/zinc/64/08/02/387640802.db2.gz GEAGVLPCDNVJMY-RYUDHWBXSA-N 2 2 230.352 0.770 20 0 BCADLP COCCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422731412 387641023 /nfs/dbraw/zinc/64/10/23/387641023.db2.gz LNVXRWQMZGWLRR-RYUDHWBXSA-N 2 2 228.336 0.380 20 0 BCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C[NH3+])C2 ZINC000430709361 387643090 /nfs/dbraw/zinc/64/30/90/387643090.db2.gz NDHNWGDZYBWNIQ-UHFFFAOYSA-N 2 2 236.319 0.387 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000422749908 387655542 /nfs/dbraw/zinc/65/55/42/387655542.db2.gz BKTKSYKEPFXKOD-GHMZBOCLSA-N 3 2 208.309 0.471 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCn1ccnc1 ZINC000422749908 387655546 /nfs/dbraw/zinc/65/55/46/387655546.db2.gz BKTKSYKEPFXKOD-GHMZBOCLSA-N 2 2 208.309 0.471 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000422749910 387655989 /nfs/dbraw/zinc/65/59/89/387655989.db2.gz BKTKSYKEPFXKOD-QWRGUYRKSA-N 3 2 208.309 0.471 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCn1ccnc1 ZINC000422749910 387655990 /nfs/dbraw/zinc/65/59/90/387655990.db2.gz BKTKSYKEPFXKOD-QWRGUYRKSA-N 2 2 208.309 0.471 20 0 BCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424136144 387660913 /nfs/dbraw/zinc/66/09/13/387660913.db2.gz ABXYQIREIDAURU-ZJUUUORDSA-N 2 2 236.319 0.503 20 0 BCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422758162 387661188 /nfs/dbraw/zinc/66/11/88/387661188.db2.gz NPYYBIWORGQOPP-GRYCIOLGSA-N 3 2 211.353 0.940 20 0 BCADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422758162 387661190 /nfs/dbraw/zinc/66/11/90/387661190.db2.gz NPYYBIWORGQOPP-GRYCIOLGSA-N 3 2 211.353 0.940 20 0 BCADLP CNC(=O)c1cccc(C[N@H+](C)[C@H](C)C[NH3+])c1 ZINC000430929962 387663089 /nfs/dbraw/zinc/66/30/89/387663089.db2.gz YTJFLQJEFRCZCE-SNVBAGLBSA-N 2 2 235.331 0.825 20 0 BCADLP CNC(=O)c1cccc(C[N@@H+](C)[C@H](C)C[NH3+])c1 ZINC000430929962 387663090 /nfs/dbraw/zinc/66/30/90/387663090.db2.gz YTJFLQJEFRCZCE-SNVBAGLBSA-N 2 2 235.331 0.825 20 0 BCADLP C[C@H](CN1CCCC1=O)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422762382 387663172 /nfs/dbraw/zinc/66/31/72/387663172.db2.gz NPEBFZKOBVSDQX-UTUOFQBUSA-N 2 2 239.363 0.585 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000430966862 387664873 /nfs/dbraw/zinc/66/48/73/387664873.db2.gz PTRNWFBZRXRBJD-DGCLKSJQSA-N 2 2 247.342 0.754 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000430966862 387664878 /nfs/dbraw/zinc/66/48/78/387664878.db2.gz PTRNWFBZRXRBJD-DGCLKSJQSA-N 2 2 247.342 0.754 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422774994 387673394 /nfs/dbraw/zinc/67/33/94/387673394.db2.gz ZGXHUCDCCSCEKA-UTLUCORTSA-N 2 2 213.325 0.099 20 0 BCADLP CC(C)[C@@H](O)CC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000422779419 387676994 /nfs/dbraw/zinc/67/69/94/387676994.db2.gz IQYNZKPBIOCCHW-AGIUHOORSA-N 2 2 244.379 0.750 20 0 BCADLP [NH3+][C@@H]1C[C@@H]1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000424139449 387685499 /nfs/dbraw/zinc/68/54/99/387685499.db2.gz VHJXAMNFBZLUMQ-WDEREUQCSA-N 2 2 244.298 0.340 20 0 BCADLP C[NH+](C)CCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422743138 387691146 /nfs/dbraw/zinc/69/11/46/387691146.db2.gz HZRHXBWSIYJMEF-CHWSQXEVSA-N 3 2 241.379 0.295 20 0 BCADLP CC[C@@H]1C[C@H]([NH2+]CC[N@H+](CC)CCO)CCO1 ZINC000648524215 387742775 /nfs/dbraw/zinc/74/27/75/387742775.db2.gz WPKSYKYFHGEGTQ-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP CC[C@@H]1C[C@H]([NH2+]CC[N@@H+](CC)CCO)CCO1 ZINC000648524215 387742779 /nfs/dbraw/zinc/74/27/79/387742779.db2.gz WPKSYKYFHGEGTQ-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP COC[C@@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000441319042 387748443 /nfs/dbraw/zinc/74/84/43/387748443.db2.gz SFJVEESHBROLCJ-LLVKDONJSA-N 2 2 230.352 0.410 20 0 BCADLP COC[C@@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000441319042 387748446 /nfs/dbraw/zinc/74/84/46/387748446.db2.gz SFJVEESHBROLCJ-LLVKDONJSA-N 2 2 230.352 0.410 20 0 BCADLP C[NH+](C)CC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000377166609 387696917 /nfs/dbraw/zinc/69/69/17/387696917.db2.gz GMDBWBXSWHZLAH-UHFFFAOYSA-N 2 2 236.319 0.397 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000643522751 387720859 /nfs/dbraw/zinc/72/08/59/387720859.db2.gz BYUAIRTXCAABAM-UTUOFQBUSA-N 3 2 211.353 0.859 20 0 BCADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CCSC1 ZINC000422828085 387722099 /nfs/dbraw/zinc/72/20/99/387722099.db2.gz SSDFZLGQSLSLBZ-UTUOFQBUSA-N 3 2 243.420 0.893 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422830243 387723939 /nfs/dbraw/zinc/72/39/39/387723939.db2.gz CJFRRCWRJYHVIQ-PWSUYJOCSA-N 3 2 222.336 0.779 20 0 BCADLP CC(C)N1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CC1=O ZINC000422918924 387774946 /nfs/dbraw/zinc/77/49/46/387774946.db2.gz IZTJYVHPDZEHQF-UTUOFQBUSA-N 2 2 239.363 0.726 20 0 BCADLP CC(C)N1C[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CC1=O ZINC000422918920 387775237 /nfs/dbraw/zinc/77/52/37/387775237.db2.gz IZTJYVHPDZEHQF-QJPTWQEYSA-N 2 2 239.363 0.726 20 0 BCADLP CC(C)N1C[C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)CC1=O ZINC000422918918 387775545 /nfs/dbraw/zinc/77/55/45/387775545.db2.gz IZTJYVHPDZEHQF-GRYCIOLGSA-N 2 2 239.363 0.726 20 0 BCADLP CC(C)NC(=O)CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422934071 387782934 /nfs/dbraw/zinc/78/29/34/387782934.db2.gz FCTDPWOPBDCFHZ-WDEREUQCSA-N 2 2 227.352 0.489 20 0 BCADLP CCOCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422901558 387787364 /nfs/dbraw/zinc/78/73/64/387787364.db2.gz SATYOWGZXIZTQJ-VXGBXAGGSA-N 2 2 228.336 0.380 20 0 BCADLP CCn1nncc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000527921444 387790410 /nfs/dbraw/zinc/79/04/10/387790410.db2.gz YDWQOWJCNGOKAB-MNOVXSKESA-N 2 2 237.351 0.870 20 0 BCADLP CCn1nncc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000527921444 387790413 /nfs/dbraw/zinc/79/04/13/387790413.db2.gz YDWQOWJCNGOKAB-MNOVXSKESA-N 2 2 237.351 0.870 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCn1cccn1 ZINC000422997666 387802713 /nfs/dbraw/zinc/80/27/13/387802713.db2.gz VGNMRCMDPAUOAJ-QWRGUYRKSA-N 2 2 208.309 0.471 20 0 BCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccoc1 ZINC000309503244 387809419 /nfs/dbraw/zinc/80/94/19/387809419.db2.gz BKWBMWSDKICXOB-PWSUYJOCSA-N 2 2 224.304 0.997 20 0 BCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccoc1 ZINC000309503244 387809422 /nfs/dbraw/zinc/80/94/22/387809422.db2.gz BKWBMWSDKICXOB-PWSUYJOCSA-N 2 2 224.304 0.997 20 0 BCADLP CC[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)[C@@H]1CCC[NH2+]1 ZINC000422959231 387811183 /nfs/dbraw/zinc/81/11/83/387811183.db2.gz RDGHLWZHIPFZLW-VWYCJHECSA-N 2 2 225.336 0.337 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC(=O)NC(C)(C)C ZINC000422959951 387811339 /nfs/dbraw/zinc/81/13/39/387811339.db2.gz UUDRZGGSHVRIEK-WDEREUQCSA-N 2 2 241.379 0.879 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H](O)COCC1CC1 ZINC000422973456 387821504 /nfs/dbraw/zinc/82/15/04/387821504.db2.gz OSIQSKKUHCNTKN-WXHSDQCUSA-N 2 2 242.363 0.362 20 0 BCADLP Cn1cc(C[NH2+]CCC[NH+]2CCCC2)nn1 ZINC000054858839 387830131 /nfs/dbraw/zinc/83/01/31/387830131.db2.gz VSSPEHLMWKBTQJ-UHFFFAOYSA-N 2 2 223.324 0.391 20 0 BCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nnc(C2CC2)n1C ZINC000442760392 387834736 /nfs/dbraw/zinc/83/47/36/387834736.db2.gz NJJGDBCWJGDMBP-NXEZZACHSA-N 2 2 249.362 0.862 20 0 BCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nnc(C2CC2)n1C ZINC000442760392 387834739 /nfs/dbraw/zinc/83/47/39/387834739.db2.gz NJJGDBCWJGDMBP-NXEZZACHSA-N 2 2 249.362 0.862 20 0 BCADLP Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c(=O)[nH]1 ZINC000423031218 387847180 /nfs/dbraw/zinc/84/71/80/387847180.db2.gz KTIDKDLRQPSYGQ-KWQFWETISA-N 2 2 236.319 0.721 20 0 BCADLP CC(C)OCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423034839 387848941 /nfs/dbraw/zinc/84/89/41/387848941.db2.gz INXYKMKABLDWTK-QWHCGFSZSA-N 2 2 242.363 0.768 20 0 BCADLP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000423037159 387851669 /nfs/dbraw/zinc/85/16/69/387851669.db2.gz VLGQJHAKZAGNLG-RWMBFGLXSA-N 3 2 243.395 0.813 20 0 BCADLP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000423037159 387851674 /nfs/dbraw/zinc/85/16/74/387851674.db2.gz VLGQJHAKZAGNLG-RWMBFGLXSA-N 3 2 243.395 0.813 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC(=O)NCC1CC1 ZINC000423041755 387854795 /nfs/dbraw/zinc/85/47/95/387854795.db2.gz JRCFOVQOTVPMHN-KOLCDFICSA-N 2 2 225.336 0.100 20 0 BCADLP CCCNC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193630239 387859056 /nfs/dbraw/zinc/85/90/56/387859056.db2.gz BFIGGEJVQCZJFN-PHIMTYICSA-N 2 2 225.336 0.006 20 0 BCADLP CCCNC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193630239 387859060 /nfs/dbraw/zinc/85/90/60/387859060.db2.gz BFIGGEJVQCZJFN-PHIMTYICSA-N 2 2 225.336 0.006 20 0 BCADLP CCCNC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193630239 387859062 /nfs/dbraw/zinc/85/90/62/387859062.db2.gz BFIGGEJVQCZJFN-PHIMTYICSA-N 2 2 225.336 0.006 20 0 BCADLP CCCNC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193630239 387859064 /nfs/dbraw/zinc/85/90/64/387859064.db2.gz BFIGGEJVQCZJFN-PHIMTYICSA-N 2 2 225.336 0.006 20 0 BCADLP CCCCNC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193633758 387859266 /nfs/dbraw/zinc/85/92/66/387859266.db2.gz OXEGCZBRLJDHTO-TXEJJXNPSA-N 2 2 239.363 0.396 20 0 BCADLP CCCCNC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193633758 387859268 /nfs/dbraw/zinc/85/92/68/387859268.db2.gz OXEGCZBRLJDHTO-TXEJJXNPSA-N 2 2 239.363 0.396 20 0 BCADLP CCCCNC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193633758 387859273 /nfs/dbraw/zinc/85/92/73/387859273.db2.gz OXEGCZBRLJDHTO-TXEJJXNPSA-N 2 2 239.363 0.396 20 0 BCADLP CCCCNC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193633758 387859274 /nfs/dbraw/zinc/85/92/74/387859274.db2.gz OXEGCZBRLJDHTO-TXEJJXNPSA-N 2 2 239.363 0.396 20 0 BCADLP CCN(C)C(=O)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423052773 387859978 /nfs/dbraw/zinc/85/99/78/387859978.db2.gz QLRQHGQXXUSVNR-NXEZZACHSA-N 2 2 213.325 0.052 20 0 BCADLP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424171893 387863063 /nfs/dbraw/zinc/86/30/63/387863063.db2.gz CMXNRGQFADEZDG-BDAKNGLRSA-N 2 2 249.305 0.475 20 0 BCADLP CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423067102 387869735 /nfs/dbraw/zinc/86/97/35/387869735.db2.gz GIXBNAMZAOZCKH-AXFHLTTASA-N 2 2 227.352 0.583 20 0 BCADLP CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423067105 387869792 /nfs/dbraw/zinc/86/97/92/387869792.db2.gz GIXBNAMZAOZCKH-MXWKQRLJSA-N 2 2 227.352 0.583 20 0 BCADLP CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423067103 387869976 /nfs/dbraw/zinc/86/99/76/387869976.db2.gz GIXBNAMZAOZCKH-GMTAPVOTSA-N 2 2 227.352 0.583 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000423066023 387870455 /nfs/dbraw/zinc/87/04/55/387870455.db2.gz VWDJWKGCCBTQJW-RCWTZXSCSA-N 2 2 212.337 0.733 20 0 BCADLP CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@H](C)[NH3+])CC2 ZINC000442657747 387815104 /nfs/dbraw/zinc/81/51/04/387815104.db2.gz HPHUUMGTHHIVOZ-QJPTWQEYSA-N 2 2 242.363 0.586 20 0 BCADLP CNC(=O)c1ccc(C[N@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000442654980 387815196 /nfs/dbraw/zinc/81/51/96/387815196.db2.gz BWPFHXFAQROSCO-SNVBAGLBSA-N 2 2 235.331 0.825 20 0 BCADLP CNC(=O)c1ccc(C[N@@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000442654980 387815199 /nfs/dbraw/zinc/81/51/99/387815199.db2.gz BWPFHXFAQROSCO-SNVBAGLBSA-N 2 2 235.331 0.825 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000442655690 387815216 /nfs/dbraw/zinc/81/52/16/387815216.db2.gz CYVMCQJRWDKNKC-NSHDSACASA-N 2 2 235.335 0.336 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000442655690 387815221 /nfs/dbraw/zinc/81/52/21/387815221.db2.gz CYVMCQJRWDKNKC-NSHDSACASA-N 2 2 235.335 0.336 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000442655590 387815501 /nfs/dbraw/zinc/81/55/01/387815501.db2.gz CULLPKFCLDALQR-GHMZBOCLSA-N 2 2 249.362 0.751 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000442655590 387815503 /nfs/dbraw/zinc/81/55/03/387815503.db2.gz CULLPKFCLDALQR-GHMZBOCLSA-N 2 2 249.362 0.751 20 0 BCADLP C[N@H+](CCC[NH+]1CCCCC1)[C@H]1CCNC1=O ZINC000444616958 387894305 /nfs/dbraw/zinc/89/43/05/387894305.db2.gz KKNDHABUMJWPDE-LBPRGKRZSA-N 2 2 239.363 0.683 20 0 BCADLP C[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CCNC1=O ZINC000444616958 387894309 /nfs/dbraw/zinc/89/43/09/387894309.db2.gz KKNDHABUMJWPDE-LBPRGKRZSA-N 2 2 239.363 0.683 20 0 BCADLP CCn1cccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1=O ZINC000423085302 387880001 /nfs/dbraw/zinc/88/00/01/387880001.db2.gz JUKCXXRLHVETPE-YPMHNXCESA-N 2 2 249.358 0.956 20 0 BCADLP COC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000423089366 387880310 /nfs/dbraw/zinc/88/03/10/387880310.db2.gz UYSFTHRGUUZOJY-CYDGBPFRSA-N 2 2 242.363 0.911 20 0 BCADLP C[C@](CO)(C[NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000423099444 387886422 /nfs/dbraw/zinc/88/64/22/387886422.db2.gz ALBVXBOKEIWRCN-UONOGXRCSA-N 2 2 234.343 0.888 20 0 BCADLP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424187990 387907988 /nfs/dbraw/zinc/90/79/88/387907988.db2.gz JCOMMLSKTUBGAM-XHNCKOQMSA-N 2 2 249.305 0.331 20 0 BCADLP Cc1cc(CNC(=O)[C@@H]2COCC[NH2+]2)cc(C)[nH+]1 ZINC000424196313 387922866 /nfs/dbraw/zinc/92/28/66/387922866.db2.gz FQGWNYSJLIBHKG-LBPRGKRZSA-N 2 2 249.314 0.303 20 0 BCADLP CCN1C[C@@H]([NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)CC1=O ZINC000423157759 387937173 /nfs/dbraw/zinc/93/71/73/387937173.db2.gz VQGIZYFIAIPEIA-WOPDTQHZSA-N 2 2 239.363 0.727 20 0 BCADLP Cn1cc([C@@H]2C[N@H+](CCCF)C[C@H]2[NH3+])cn1 ZINC000424292527 387954598 /nfs/dbraw/zinc/95/45/98/387954598.db2.gz MWPJQYANHDHLFU-WDEREUQCSA-N 2 2 226.299 0.506 20 0 BCADLP Cn1cc([C@@H]2C[N@@H+](CCCF)C[C@H]2[NH3+])cn1 ZINC000424292527 387954605 /nfs/dbraw/zinc/95/46/05/387954605.db2.gz MWPJQYANHDHLFU-WDEREUQCSA-N 2 2 226.299 0.506 20 0 BCADLP CC[C@H]([NH2+][C@H]1CC(=O)N(CC)C1)[C@@H]1CCC[NH2+]1 ZINC000423160610 387942175 /nfs/dbraw/zinc/94/21/75/387942175.db2.gz ZWSSHLVEVTYIOM-SRVKXCTJSA-N 2 2 239.363 0.727 20 0 BCADLP [NH3+]C[C@H]1CCC[C@H]1NCC[N@H+]1CC=CCC1 ZINC000392248843 387945230 /nfs/dbraw/zinc/94/52/30/387945230.db2.gz SRTXUGMFAJZVCL-CHWSQXEVSA-N 2 2 223.364 0.965 20 0 BCADLP [NH3+]C[C@H]1CCC[C@H]1NCC[N@@H+]1CC=CCC1 ZINC000392248843 387945233 /nfs/dbraw/zinc/94/52/33/387945233.db2.gz SRTXUGMFAJZVCL-CHWSQXEVSA-N 2 2 223.364 0.965 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000245438167 387946139 /nfs/dbraw/zinc/94/61/39/387946139.db2.gz FERPPJFXCBMLNK-QWRGUYRKSA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000245438167 387946141 /nfs/dbraw/zinc/94/61/41/387946141.db2.gz FERPPJFXCBMLNK-QWRGUYRKSA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@@H](C(N)=O)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000245438167 387946143 /nfs/dbraw/zinc/94/61/43/387946143.db2.gz FERPPJFXCBMLNK-QWRGUYRKSA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@@H](C(N)=O)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000245438167 387946146 /nfs/dbraw/zinc/94/61/46/387946146.db2.gz FERPPJFXCBMLNK-QWRGUYRKSA-N 2 2 227.352 0.524 20 0 BCADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423179960 387966375 /nfs/dbraw/zinc/96/63/75/387966375.db2.gz DOVLZUBZBZMOAL-RYUDHWBXSA-N 2 2 241.379 0.975 20 0 BCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423179956 387966482 /nfs/dbraw/zinc/96/64/82/387966482.db2.gz DOVLZUBZBZMOAL-NEPJUHHUSA-N 2 2 241.379 0.975 20 0 BCADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423192619 387978236 /nfs/dbraw/zinc/97/82/36/387978236.db2.gz PVKGBIJJVHFCRU-UTUOFQBUSA-N 3 2 211.353 0.716 20 0 BCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424367509 387991908 /nfs/dbraw/zinc/99/19/08/387991908.db2.gz MKBUPARVWNXPLY-HBNTYKKESA-N 2 2 248.392 0.669 20 0 BCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC000424340593 387982418 /nfs/dbraw/zinc/98/24/18/387982418.db2.gz YFHOAIMEMFUPMH-VXGBXAGGSA-N 2 2 239.363 0.762 20 0 BCADLP CC(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424339490 387982764 /nfs/dbraw/zinc/98/27/64/387982764.db2.gz WKRFDYIDINOKRC-NXEZZACHSA-N 2 2 213.325 0.371 20 0 BCADLP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000423211469 387995689 /nfs/dbraw/zinc/99/56/89/387995689.db2.gz YHLWGOWYVBIPKV-OLZOCXBDSA-N 3 2 240.395 0.012 20 0 BCADLP C[C@H](NCCC[NH+]1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000400511175 387985214 /nfs/dbraw/zinc/98/52/14/387985214.db2.gz FLXCCVAVLKCWPF-QWHCGFSZSA-N 2 2 241.379 0.439 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423215332 387997069 /nfs/dbraw/zinc/99/70/69/387997069.db2.gz QJWMBNUWWYDFLR-WOPDTQHZSA-N 3 2 211.353 0.716 20 0 BCADLP CCCNC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638489 135091685 /nfs/dbraw/zinc/09/16/85/135091685.db2.gz OCAIXRIXWUIOBT-UHFFFAOYSA-N 2 2 215.341 0.429 20 0 BCADLP CCCNC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638489 135091688 /nfs/dbraw/zinc/09/16/88/135091688.db2.gz OCAIXRIXWUIOBT-UHFFFAOYSA-N 2 2 215.341 0.429 20 0 BCADLP COCC[N@H+](C)CCN[C@H]1CC[NH+](C)C[C@@H]1C ZINC000159356822 388009054 /nfs/dbraw/zinc/00/90/54/388009054.db2.gz OQQPITJIDSLWRF-STQMWFEESA-N 2 2 243.395 0.494 20 0 BCADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423230015 388015106 /nfs/dbraw/zinc/01/51/06/388015106.db2.gz CNPRRNLUVMKDRB-SDDRHHMPSA-N 3 2 211.353 0.846 20 0 BCADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423230016 388015574 /nfs/dbraw/zinc/01/55/74/388015574.db2.gz CNPRRNLUVMKDRB-SRVKXCTJSA-N 3 2 211.353 0.846 20 0 BCADLP CC[NH2+]CC[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000423252222 388034421 /nfs/dbraw/zinc/03/44/21/388034421.db2.gz XNXWGTAKMBMXPM-QWRGUYRKSA-N 2 2 248.392 0.541 20 0 BCADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000423262666 388040514 /nfs/dbraw/zinc/04/05/14/388040514.db2.gz NCRRWYYDAUMBJU-IJLUTSLNSA-N 2 2 213.369 0.900 20 0 BCADLP CC[NH2+]CC[NH2+][C@@H](C)CC(=O)N(CC)CC ZINC000423244667 388028803 /nfs/dbraw/zinc/02/88/03/388028803.db2.gz LRTOXJKABXDKHX-NSHDSACASA-N 2 2 229.368 0.833 20 0 BCADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)[C@H](O)C(F)F ZINC000453266006 388030375 /nfs/dbraw/zinc/03/03/75/388030375.db2.gz DTJQMMNIENDQDT-RGOKHQFPSA-N 2 2 236.306 0.931 20 0 BCADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)[C@H](O)C(F)F ZINC000453266006 388030378 /nfs/dbraw/zinc/03/03/78/388030378.db2.gz DTJQMMNIENDQDT-RGOKHQFPSA-N 2 2 236.306 0.931 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000453275635 388031538 /nfs/dbraw/zinc/03/15/38/388031538.db2.gz XBAXDTFMSMFTEX-YNEHKIRRSA-N 2 2 244.379 0.846 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000453275635 388031541 /nfs/dbraw/zinc/03/15/41/388031541.db2.gz XBAXDTFMSMFTEX-YNEHKIRRSA-N 2 2 244.379 0.846 20 0 BCADLP Cc1nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc(N)[nH+]1 ZINC000322856468 388054297 /nfs/dbraw/zinc/05/42/97/388054297.db2.gz SFSIJRGTRKVEJI-PBINXNQUSA-N 2 2 248.334 0.799 20 0 BCADLP Cc1nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(N)[nH+]1 ZINC000322856468 388054301 /nfs/dbraw/zinc/05/43/01/388054301.db2.gz SFSIJRGTRKVEJI-PBINXNQUSA-N 2 2 248.334 0.799 20 0 BCADLP Cc1nc(N)nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[nH+]1 ZINC000322856468 388054303 /nfs/dbraw/zinc/05/43/03/388054303.db2.gz SFSIJRGTRKVEJI-PBINXNQUSA-N 2 2 248.334 0.799 20 0 BCADLP Cc1nc(N)nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[nH+]1 ZINC000322856468 388054305 /nfs/dbraw/zinc/05/43/05/388054305.db2.gz SFSIJRGTRKVEJI-PBINXNQUSA-N 2 2 248.334 0.799 20 0 BCADLP C[NH2+]CC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000083913454 388066758 /nfs/dbraw/zinc/06/67/58/388066758.db2.gz HXFLYECSIMDQSD-NSHDSACASA-N 2 2 248.330 0.386 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000447601704 388081984 /nfs/dbraw/zinc/08/19/84/388081984.db2.gz QUVVUZDEBHDREV-CMPLNLGQSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000447601704 388081985 /nfs/dbraw/zinc/08/19/85/388081985.db2.gz QUVVUZDEBHDREV-CMPLNLGQSA-N 2 2 239.363 0.857 20 0 BCADLP Cn1c[nH+]cc1CSc1nc(N)cc(N)[nH+]1 ZINC000085191584 388085127 /nfs/dbraw/zinc/08/51/27/388085127.db2.gz CAYUWFHEYHXPNR-UHFFFAOYSA-N 2 2 236.304 0.667 20 0 BCADLP CCOC(=O)[C@H](CC)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085283488 388085925 /nfs/dbraw/zinc/08/59/25/388085925.db2.gz VIXNCHXULPMQCI-AXFHLTTASA-N 2 2 226.320 0.479 20 0 BCADLP CCOC(=O)[C@H](CC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085283488 388085926 /nfs/dbraw/zinc/08/59/26/388085926.db2.gz VIXNCHXULPMQCI-AXFHLTTASA-N 2 2 226.320 0.479 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCCCO2)CCO1 ZINC000042373622 388092911 /nfs/dbraw/zinc/09/29/11/388092911.db2.gz FDRYTLVDMZNRCX-WDEREUQCSA-N 2 2 214.309 0.215 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)CCO1 ZINC000042373622 388092913 /nfs/dbraw/zinc/09/29/13/388092913.db2.gz FDRYTLVDMZNRCX-WDEREUQCSA-N 2 2 214.309 0.215 20 0 BCADLP CC[C@H](O)C[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000336661099 388099895 /nfs/dbraw/zinc/09/98/95/388099895.db2.gz SCDPZDVGMVPIHZ-VWYCJHECSA-N 2 2 200.326 0.687 20 0 BCADLP CC[C@H](O)C[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000336661099 388099896 /nfs/dbraw/zinc/09/98/96/388099896.db2.gz SCDPZDVGMVPIHZ-VWYCJHECSA-N 2 2 200.326 0.687 20 0 BCADLP O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1C[NH2+]CCO1 ZINC000645976176 388112010 /nfs/dbraw/zinc/11/20/10/388112010.db2.gz DDUZTRPDUPNYTI-SNVBAGLBSA-N 2 2 246.270 0.261 20 0 BCADLP [NH3+]CCOCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000645976236 388112345 /nfs/dbraw/zinc/11/23/45/388112345.db2.gz HXRSJIBNVSVKBK-UHFFFAOYSA-N 2 2 234.259 0.248 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H]1CSC[C@@H]1C ZINC000449251396 388162947 /nfs/dbraw/zinc/16/29/47/388162947.db2.gz RPCAXACPJWXPLL-QWRGUYRKSA-N 2 2 232.393 0.642 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CSC[C@@H]1C ZINC000449251396 388162950 /nfs/dbraw/zinc/16/29/50/388162950.db2.gz RPCAXACPJWXPLL-QWRGUYRKSA-N 2 2 232.393 0.642 20 0 BCADLP C[C@H](CCO)CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000449356390 388180521 /nfs/dbraw/zinc/18/05/21/388180521.db2.gz HLAJIGUAWYGSMM-SDDRHHMPSA-N 2 2 214.353 0.935 20 0 BCADLP C[C@H](CCO)CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000449356390 388180524 /nfs/dbraw/zinc/18/05/24/388180524.db2.gz HLAJIGUAWYGSMM-SDDRHHMPSA-N 2 2 214.353 0.935 20 0 BCADLP CCc1nocc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000646105450 388143182 /nfs/dbraw/zinc/14/31/82/388143182.db2.gz WXFNSOUTMATHRJ-AOOOYVTPSA-N 2 2 221.304 0.888 20 0 BCADLP CCc1nocc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000646105450 388143184 /nfs/dbraw/zinc/14/31/84/388143184.db2.gz WXFNSOUTMATHRJ-AOOOYVTPSA-N 2 2 221.304 0.888 20 0 BCADLP Cc1nocc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000646105214 388143783 /nfs/dbraw/zinc/14/37/83/388143783.db2.gz MRJCLINQSAMRJI-NXEZZACHSA-N 2 2 207.277 0.634 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCOC1 ZINC000165909373 388253415 /nfs/dbraw/zinc/25/34/15/388253415.db2.gz QMUBKIZXGIQVKF-UMNHJUIQSA-N 2 2 210.321 0.848 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCOC1 ZINC000165909373 388253416 /nfs/dbraw/zinc/25/34/16/388253416.db2.gz QMUBKIZXGIQVKF-UMNHJUIQSA-N 2 2 210.321 0.848 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC[C@@](C)(O)COC)C1 ZINC000449386338 388190514 /nfs/dbraw/zinc/19/05/14/388190514.db2.gz TWAYBHPDYMGCAB-YNEHKIRRSA-N 2 2 244.379 0.704 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC[C@@](C)(O)COC)C1 ZINC000449386338 388190515 /nfs/dbraw/zinc/19/05/15/388190515.db2.gz TWAYBHPDYMGCAB-YNEHKIRRSA-N 2 2 244.379 0.704 20 0 BCADLP CCN1C[C@@H]([NH2+][C@@H]2C[N@H+](CC)C[C@@H]2C)CC1=O ZINC000449519675 388222508 /nfs/dbraw/zinc/22/25/08/388222508.db2.gz QNRWSWLFHOXIGG-SDDRHHMPSA-N 2 2 239.363 0.537 20 0 BCADLP CCN1C[C@@H]([NH2+][C@@H]2C[N@@H+](CC)C[C@@H]2C)CC1=O ZINC000449519675 388222509 /nfs/dbraw/zinc/22/25/09/388222509.db2.gz QNRWSWLFHOXIGG-SDDRHHMPSA-N 2 2 239.363 0.537 20 0 BCADLP COCC[N@H+](CCn1cc[nH+]c1)[C@H]1CCOC1 ZINC000490030229 388231124 /nfs/dbraw/zinc/23/11/24/388231124.db2.gz GUINVXYIFCPHLJ-LBPRGKRZSA-N 2 2 239.319 0.620 20 0 BCADLP COCC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCOC1 ZINC000490030229 388231126 /nfs/dbraw/zinc/23/11/26/388231126.db2.gz GUINVXYIFCPHLJ-LBPRGKRZSA-N 2 2 239.319 0.620 20 0 BCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)COC ZINC000163447285 388291926 /nfs/dbraw/zinc/29/19/26/388291926.db2.gz QUJHHJVABNBCKS-NEPJUHHUSA-N 2 2 230.352 0.722 20 0 BCADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)COC ZINC000163447285 388291928 /nfs/dbraw/zinc/29/19/28/388291928.db2.gz QUJHHJVABNBCKS-NEPJUHHUSA-N 2 2 230.352 0.722 20 0 BCADLP CO[C@@H]1C[N@H+](CC(C)(C)[NH3+])C[C@@H]1OC ZINC000234783634 388360222 /nfs/dbraw/zinc/36/02/22/388360222.db2.gz BZUNNJJXNUTSDX-DTORHVGOSA-N 2 2 202.298 0.069 20 0 BCADLP CO[C@@H]1C[N@@H+](CC(C)(C)[NH3+])C[C@@H]1OC ZINC000234783634 388360224 /nfs/dbraw/zinc/36/02/24/388360224.db2.gz BZUNNJJXNUTSDX-DTORHVGOSA-N 2 2 202.298 0.069 20 0 BCADLP C[C@H](CC[NH+](C)C)NC(=O)Cn1cc[nH+]c1 ZINC000519574667 256651966 /nfs/dbraw/zinc/65/19/66/256651966.db2.gz IBRSESQVNRUMEQ-SNVBAGLBSA-N 2 2 224.308 0.340 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)/C=C/C[NH+](C)C ZINC000492113696 388335313 /nfs/dbraw/zinc/33/53/13/388335313.db2.gz XRAJFHASKSMYOE-SNAWJCMRSA-N 2 2 222.292 0.452 20 0 BCADLP Cn1cc(CC[NH2+]C(C)(C)C[NH+](C)C)cn1 ZINC000308634607 388445614 /nfs/dbraw/zinc/44/56/14/388445614.db2.gz ZYWOORBQWDNQDJ-UHFFFAOYSA-N 2 2 224.352 0.892 20 0 BCADLP Cn1nccc1CC[NH2+]C(C)(C)C[NH+](C)C ZINC000308634476 388445854 /nfs/dbraw/zinc/44/58/54/388445854.db2.gz ZCULUBSXAWJOLF-UHFFFAOYSA-N 2 2 224.352 0.892 20 0 BCADLP Cc1cnn(CC[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000335297619 388450243 /nfs/dbraw/zinc/45/02/43/388450243.db2.gz GRDWJMNVEUGHTN-QWRGUYRKSA-N 2 2 208.309 0.613 20 0 BCADLP Cc1cnn(CC[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000335297619 388450246 /nfs/dbraw/zinc/45/02/46/388450246.db2.gz GRDWJMNVEUGHTN-QWRGUYRKSA-N 2 2 208.309 0.613 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000335598129 388451935 /nfs/dbraw/zinc/45/19/35/388451935.db2.gz UAVIKZMWOCFGTK-VHSXEESVSA-N 2 2 236.319 0.424 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000336268642 388456717 /nfs/dbraw/zinc/45/67/17/388456717.db2.gz ZUXOZINYIKLTSO-RYUDHWBXSA-N 3 2 211.353 0.657 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000336268642 388456720 /nfs/dbraw/zinc/45/67/20/388456720.db2.gz ZUXOZINYIKLTSO-RYUDHWBXSA-N 3 2 211.353 0.657 20 0 BCADLP C[C@@H](C[NH2+]Cc1cn(C)nn1)C[NH+](C)C ZINC000336708013 388465406 /nfs/dbraw/zinc/46/54/06/388465406.db2.gz SDWRLRIQPPLOGI-VIFPVBQESA-N 2 2 211.313 0.102 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@](C)(O)C1)C1CC1 ZINC000336716929 388467905 /nfs/dbraw/zinc/46/79/05/388467905.db2.gz QDRIOYFHFKNRGM-STQMWFEESA-N 2 2 242.363 0.288 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@](C)(O)C1)C1CC1 ZINC000336716929 388467909 /nfs/dbraw/zinc/46/79/09/388467909.db2.gz QDRIOYFHFKNRGM-STQMWFEESA-N 2 2 242.363 0.288 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@](C)(O)C1)C1CC1 ZINC000336716929 388467910 /nfs/dbraw/zinc/46/79/10/388467910.db2.gz QDRIOYFHFKNRGM-STQMWFEESA-N 2 2 242.363 0.288 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@](C)(O)C1)C1CC1 ZINC000336716929 388467913 /nfs/dbraw/zinc/46/79/13/388467913.db2.gz QDRIOYFHFKNRGM-STQMWFEESA-N 2 2 242.363 0.288 20 0 BCADLP CC(=O)N[C@H](C)C1CC[NH+](CC[NH3+])CC1 ZINC000261538017 135175183 /nfs/dbraw/zinc/17/51/83/135175183.db2.gz XDWOBZTZWDHJNN-SECBINFHSA-N 2 2 213.325 0.182 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@]2(OC)CCOC2)C1 ZINC000328358274 388412433 /nfs/dbraw/zinc/41/24/33/388412433.db2.gz PIXPVQUEJARIJO-QWHCGFSZSA-N 2 2 242.363 0.866 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@]2(OC)CCOC2)C1 ZINC000328358274 388412434 /nfs/dbraw/zinc/41/24/34/388412434.db2.gz PIXPVQUEJARIJO-QWHCGFSZSA-N 2 2 242.363 0.866 20 0 BCADLP Cc1[nH]c(C(=O)NCC[NH2+]C2CC2)c[nH+]1 ZINC000646686771 388416334 /nfs/dbraw/zinc/41/63/34/388416334.db2.gz LKQZEVUFSRANLY-UHFFFAOYSA-N 2 2 208.265 0.200 20 0 BCADLP CCn1cc[nH+]c1CN(C)CC[NH+](C)C ZINC000517438387 388550438 /nfs/dbraw/zinc/55/04/38/388550438.db2.gz AXMSAWWXMWIJFV-UHFFFAOYSA-N 2 2 210.325 0.896 20 0 BCADLP Cn1c[nH+]cc1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000548460142 388541135 /nfs/dbraw/zinc/54/11/35/388541135.db2.gz YTCNUMCOAQLYLB-JTQLQIEISA-N 2 2 236.319 0.031 20 0 BCADLP Cn1c[nH+]cc1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000548460142 388541136 /nfs/dbraw/zinc/54/11/36/388541136.db2.gz YTCNUMCOAQLYLB-JTQLQIEISA-N 2 2 236.319 0.031 20 0 BCADLP CCC(CC)CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000517234595 388543906 /nfs/dbraw/zinc/54/39/06/388543906.db2.gz MBCLFBKGCDJUJM-GFCCVEGCSA-N 2 2 241.379 0.914 20 0 BCADLP CCC(CC)CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000517234595 388543908 /nfs/dbraw/zinc/54/39/08/388543908.db2.gz MBCLFBKGCDJUJM-GFCCVEGCSA-N 2 2 241.379 0.914 20 0 BCADLP Cc1nocc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000339347633 388483127 /nfs/dbraw/zinc/48/31/27/388483127.db2.gz CUZACURKSYPPJQ-NSHDSACASA-N 2 2 225.292 0.139 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](C)CCO)C1 ZINC000397620366 388484356 /nfs/dbraw/zinc/48/43/56/388484356.db2.gz GKVDWGUAOGWWTN-OLZOCXBDSA-N 2 2 244.379 0.705 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)CCO)C1 ZINC000397620366 388484358 /nfs/dbraw/zinc/48/43/58/388484358.db2.gz GKVDWGUAOGWWTN-OLZOCXBDSA-N 2 2 244.379 0.705 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000516867931 256804743 /nfs/dbraw/zinc/80/47/43/256804743.db2.gz ZNWRIHIHKBMBEE-RWMBFGLXSA-N 2 2 242.363 0.864 20 0 BCADLP C[NH2+]CCC[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000516867931 256804744 /nfs/dbraw/zinc/80/47/44/256804744.db2.gz ZNWRIHIHKBMBEE-RWMBFGLXSA-N 2 2 242.363 0.864 20 0 BCADLP [NH3+]Cc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000516926945 388524660 /nfs/dbraw/zinc/52/46/60/388524660.db2.gz PRLAZMOPPPNGJH-ZDUSSCGKSA-N 3 2 219.332 0.987 20 0 BCADLP Cc1c[nH+]cn1CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000528474817 388533140 /nfs/dbraw/zinc/53/31/40/388533140.db2.gz IHKRYFZHZIJSGO-UHFFFAOYSA-N 2 2 233.275 0.573 20 0 BCADLP Cc1cc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc(C)[nH+]1 ZINC000517569055 388554917 /nfs/dbraw/zinc/55/49/17/388554917.db2.gz HGTWHRDJVYAFGX-NWDGAFQWSA-N 2 2 249.314 0.037 20 0 BCADLP CCC[C@H]1C[NH2+]CCN1Cc1c[nH+]cn1C ZINC000359049733 388556352 /nfs/dbraw/zinc/55/63/52/388556352.db2.gz BXOVGEUVAFNCQB-NSHDSACASA-N 2 2 222.336 0.994 20 0 BCADLP CC[C@]1(C)C[C@H]1C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000646833244 388563247 /nfs/dbraw/zinc/56/32/47/388563247.db2.gz WSQZJFJZFNTRPZ-NTZNESFSSA-N 2 2 239.363 0.524 20 0 BCADLP CC[C@]1(C)C[C@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000646833244 388563250 /nfs/dbraw/zinc/56/32/50/388563250.db2.gz WSQZJFJZFNTRPZ-NTZNESFSSA-N 2 2 239.363 0.524 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649299830 388578387 /nfs/dbraw/zinc/57/83/87/388578387.db2.gz ZXVKLNBIDLQHJG-DBIOUOCHSA-N 2 2 234.303 0.138 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCN(C)C2=O)C1 ZINC000245441820 388580513 /nfs/dbraw/zinc/58/05/13/388580513.db2.gz HPJGRALYUCVBJG-RYUDHWBXSA-N 2 2 239.363 0.491 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCN(C)C2=O)C1 ZINC000245441820 388580517 /nfs/dbraw/zinc/58/05/17/388580517.db2.gz HPJGRALYUCVBJG-RYUDHWBXSA-N 2 2 239.363 0.491 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000245441820 388580519 /nfs/dbraw/zinc/58/05/19/388580519.db2.gz HPJGRALYUCVBJG-RYUDHWBXSA-N 2 2 239.363 0.491 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC000245441820 388580522 /nfs/dbraw/zinc/58/05/22/388580522.db2.gz HPJGRALYUCVBJG-RYUDHWBXSA-N 2 2 239.363 0.491 20 0 BCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)Cn1cc[nH+]c1 ZINC000649302774 388585624 /nfs/dbraw/zinc/58/56/24/388585624.db2.gz NTBGMWHEMSMVBR-QCNOEVLYSA-N 2 2 248.330 0.386 20 0 BCADLP CO[C@@H]1C[N@H+](Cc2c[nH+]c[nH]2)[C@@](C)(CO)C1 ZINC000630076255 388619026 /nfs/dbraw/zinc/61/90/26/388619026.db2.gz IVHOMPSOKPSVMA-WDEREUQCSA-N 2 2 225.292 0.381 20 0 BCADLP CO[C@@H]1C[N@@H+](Cc2c[nH+]c[nH]2)[C@@](C)(CO)C1 ZINC000630076255 388619029 /nfs/dbraw/zinc/61/90/29/388619029.db2.gz IVHOMPSOKPSVMA-WDEREUQCSA-N 2 2 225.292 0.381 20 0 BCADLP CCn1ncc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000530213506 388628869 /nfs/dbraw/zinc/62/88/69/388628869.db2.gz WGLIERNLQPXFJR-VHSXEESVSA-N 2 2 223.324 0.658 20 0 BCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC12CC(C1)CO2 ZINC000530224750 388634268 /nfs/dbraw/zinc/63/42/68/388634268.db2.gz YBYORFLLVVKXAI-GMKTYKIGSA-N 2 2 240.347 0.522 20 0 BCADLP C[NH2+]CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000530233228 388636763 /nfs/dbraw/zinc/63/67/63/388636763.db2.gz DJQWTZSRTOUGCX-MNOVXSKESA-N 2 2 246.376 0.247 20 0 BCADLP C[NH2+]CCC[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000530233228 388636766 /nfs/dbraw/zinc/63/67/66/388636766.db2.gz DJQWTZSRTOUGCX-MNOVXSKESA-N 2 2 246.376 0.247 20 0 BCADLP Cc1noc(C23CC(C2)C[N@@H+]3CCC[NH3+])n1 ZINC000530231297 388636934 /nfs/dbraw/zinc/63/69/34/388636934.db2.gz OABZTNDUQRMFID-UHFFFAOYSA-N 2 2 222.292 0.648 20 0 BCADLP Cc1noc(C23CC(C2)C[N@H+]3CCC[NH3+])n1 ZINC000530231297 388636937 /nfs/dbraw/zinc/63/69/37/388636937.db2.gz OABZTNDUQRMFID-UHFFFAOYSA-N 2 2 222.292 0.648 20 0 BCADLP C[C@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530244834 388639115 /nfs/dbraw/zinc/63/91/15/388639115.db2.gz QTPVRPWEAPSFJK-CMPLNLGQSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000530244834 388639116 /nfs/dbraw/zinc/63/91/16/388639116.db2.gz QTPVRPWEAPSFJK-CMPLNLGQSA-N 2 2 212.337 0.974 20 0 BCADLP CC(C)[NH2+]CC(=O)N(C)Cc1[nH+]ccn1C ZINC000037823019 388648362 /nfs/dbraw/zinc/64/83/62/388648362.db2.gz RTCTVZKKNFJIDY-UHFFFAOYSA-N 2 2 224.308 0.377 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cn1cc[nH+]c1 ZINC000552012763 388656050 /nfs/dbraw/zinc/65/60/50/388656050.db2.gz CNGVSMZUPGECMA-WDEREUQCSA-N 2 2 236.319 0.434 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cn1cc[nH+]c1 ZINC000552012763 388656053 /nfs/dbraw/zinc/65/60/53/388656053.db2.gz CNGVSMZUPGECMA-WDEREUQCSA-N 2 2 236.319 0.434 20 0 BCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cn1cc[nH+]c1 ZINC000552012762 388656256 /nfs/dbraw/zinc/65/62/56/388656256.db2.gz CNGVSMZUPGECMA-QWRGUYRKSA-N 2 2 236.319 0.434 20 0 BCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cn1cc[nH+]c1 ZINC000552012762 388656258 /nfs/dbraw/zinc/65/62/58/388656258.db2.gz CNGVSMZUPGECMA-QWRGUYRKSA-N 2 2 236.319 0.434 20 0 BCADLP C[NH+](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000552845196 388738686 /nfs/dbraw/zinc/73/86/86/388738686.db2.gz PNGOLHWRNJYCFA-SNVBAGLBSA-N 2 2 236.319 0.123 20 0 BCADLP C[C@@H](O)C[N@H+](CCCn1cc[nH+]c1)[C@H](C)CO ZINC000248902581 388698215 /nfs/dbraw/zinc/69/82/15/388698215.db2.gz HNMYFKPWOLCGKN-VXGBXAGGSA-N 2 2 241.335 0.337 20 0 BCADLP C[C@@H](O)C[N@@H+](CCCn1cc[nH+]c1)[C@H](C)CO ZINC000248902581 388698217 /nfs/dbraw/zinc/69/82/17/388698217.db2.gz HNMYFKPWOLCGKN-VXGBXAGGSA-N 2 2 241.335 0.337 20 0 BCADLP C[C@@H]1[C@H](C(=O)NCc2[nH+]ccn2C)CC[N@@H+]1C ZINC000648768296 388854561 /nfs/dbraw/zinc/85/45/61/388854561.db2.gz ZVEROPBWIIIRAU-NXEZZACHSA-N 2 2 236.319 0.377 20 0 BCADLP C[C@@H]1[C@H](C(=O)NCc2[nH+]ccn2C)CC[N@H+]1C ZINC000648768296 388854567 /nfs/dbraw/zinc/85/45/67/388854567.db2.gz ZVEROPBWIIIRAU-NXEZZACHSA-N 2 2 236.319 0.377 20 0 BCADLP COCCOCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000129592229 388854564 /nfs/dbraw/zinc/85/45/64/388854564.db2.gz CCDCFCWJUHMPKI-NEPJUHHUSA-N 2 2 242.363 0.864 20 0 BCADLP COCCOCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000129592229 388854566 /nfs/dbraw/zinc/85/45/66/388854566.db2.gz CCDCFCWJUHMPKI-NEPJUHHUSA-N 2 2 242.363 0.864 20 0 BCADLP COCCOCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000129592868 388855270 /nfs/dbraw/zinc/85/52/70/388855270.db2.gz CCDCFCWJUHMPKI-NWDGAFQWSA-N 2 2 242.363 0.864 20 0 BCADLP COCCOCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000129592868 388855272 /nfs/dbraw/zinc/85/52/72/388855272.db2.gz CCDCFCWJUHMPKI-NWDGAFQWSA-N 2 2 242.363 0.864 20 0 BCADLP Cn1cc[nH+]c1CN1CC[N@H+](C)C(C)(C)C1 ZINC000556082465 388866054 /nfs/dbraw/zinc/86/60/54/388866054.db2.gz JNBQQFKUACIFKJ-UHFFFAOYSA-N 2 2 222.336 0.946 20 0 BCADLP Cn1cc[nH+]c1CN1CC[N@@H+](C)C(C)(C)C1 ZINC000556082465 388866057 /nfs/dbraw/zinc/86/60/57/388866057.db2.gz JNBQQFKUACIFKJ-UHFFFAOYSA-N 2 2 222.336 0.946 20 0 BCADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000564643236 388882056 /nfs/dbraw/zinc/88/20/56/388882056.db2.gz MGEUPIPOEFDSIU-GFCCVEGCSA-N 2 2 248.330 0.578 20 0 BCADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCCn1cc[nH+]c1 ZINC000261803782 388884701 /nfs/dbraw/zinc/88/47/01/388884701.db2.gz RGAMWUKQEGVOBO-WDEREUQCSA-N 2 2 236.319 0.517 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)CC1(C[NH3+])CC1 ZINC000564922563 388897346 /nfs/dbraw/zinc/89/73/46/388897346.db2.gz YMWXGIPBRJFZNW-UHFFFAOYSA-N 2 2 222.292 0.165 20 0 BCADLP C[C@@H](CC(=O)NC[C@H]1CCC[NH2+]1)n1cc[nH+]c1 ZINC000565147864 388917732 /nfs/dbraw/zinc/91/77/32/388917732.db2.gz OSLDUPFBOSYSDM-WDEREUQCSA-N 2 2 236.319 0.702 20 0 BCADLP [NH3+]CC(F)(F)CC(=O)N1CC[NH+](C2CC2)CC1 ZINC000565151693 388919003 /nfs/dbraw/zinc/91/90/03/388919003.db2.gz OZQKTUHPODSTSX-UHFFFAOYSA-N 2 2 247.289 0.277 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CCn2nncc2C1 ZINC000565171433 388921465 /nfs/dbraw/zinc/92/14/65/388921465.db2.gz KTFPXOYIPONIMR-UHFFFAOYSA-N 2 2 246.318 0.460 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCn2nncc2C1 ZINC000565171433 388921464 /nfs/dbraw/zinc/92/14/64/388921464.db2.gz KTFPXOYIPONIMR-UHFFFAOYSA-N 2 2 246.318 0.460 20 0 BCADLP C[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000565185659 388923307 /nfs/dbraw/zinc/92/33/07/388923307.db2.gz NKXZOUIMVOEZGM-NSHDSACASA-N 2 2 239.363 0.539 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000565363664 388939371 /nfs/dbraw/zinc/93/93/71/388939371.db2.gz NYPWGKXIVLLITG-OLZOCXBDSA-N 3 2 225.380 0.917 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000565363664 388939373 /nfs/dbraw/zinc/93/93/73/388939373.db2.gz NYPWGKXIVLLITG-OLZOCXBDSA-N 3 2 225.380 0.917 20 0 BCADLP Cc1[nH]c(C(=O)NCCC[NH2+]C(C)C)c[nH+]1 ZINC000566008446 388983510 /nfs/dbraw/zinc/98/35/10/388983510.db2.gz HBHLRCRWSBSJRZ-UHFFFAOYSA-N 2 2 224.308 0.836 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000566088501 388985001 /nfs/dbraw/zinc/98/50/01/388985001.db2.gz VWGIKLKQWWXDEO-ZYHUDNBSSA-N 3 2 211.353 0.526 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000566088501 388985003 /nfs/dbraw/zinc/98/50/03/388985003.db2.gz VWGIKLKQWWXDEO-ZYHUDNBSSA-N 3 2 211.353 0.526 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000269264412 389008545 /nfs/dbraw/zinc/00/85/45/389008545.db2.gz OJLNWPLXYIIZQZ-NXEZZACHSA-N 2 2 236.319 0.852 20 0 BCADLP CCC[C@@](C)([NH3+])C(=O)NCc1[nH]c[nH+]c1C ZINC000269239217 389008643 /nfs/dbraw/zinc/00/86/43/389008643.db2.gz AOFJTNXSQRCTGZ-LLVKDONJSA-N 2 2 224.308 0.852 20 0 BCADLP C(C[NH+]1CCOCC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261557491 533364075 /nfs/dbraw/zinc/36/40/75/533364075.db2.gz RUPHYQVPZBSGBV-OLZOCXBDSA-N 2 2 239.363 0.002 20 0 BCADLP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCOCC1 ZINC000261557491 533364077 /nfs/dbraw/zinc/36/40/77/533364077.db2.gz RUPHYQVPZBSGBV-OLZOCXBDSA-N 2 2 239.363 0.002 20 0 BCADLP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCOCC1 ZINC000261557491 533364078 /nfs/dbraw/zinc/36/40/78/533364078.db2.gz RUPHYQVPZBSGBV-OLZOCXBDSA-N 2 2 239.363 0.002 20 0 BCADLP Cc1cc(N2CC[NH+](CCO)CC2)nc(C)[nH+]1 ZINC000040431904 132223397 /nfs/dbraw/zinc/22/33/97/132223397.db2.gz GZGUHIFSEJIGIX-UHFFFAOYSA-N 2 2 236.319 0.208 20 0 BCADLP C[C@H](C[NH3+])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000044797055 132225214 /nfs/dbraw/zinc/22/52/14/132225214.db2.gz VANJJTAIHWLGTN-LLVKDONJSA-N 2 2 248.330 0.325 20 0 BCADLP [NH3+]C1(CO)CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000301244361 132252179 /nfs/dbraw/zinc/25/21/79/132252179.db2.gz ASANAMFAFGIPJM-UHFFFAOYSA-N 2 2 248.330 0.644 20 0 BCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1c[nH+]cn1C ZINC000335946482 134020398 /nfs/dbraw/zinc/02/03/98/134020398.db2.gz SMOJESAACRWMLQ-WDEREUQCSA-N 2 2 222.336 0.945 20 0 BCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1c[nH+]cn1C ZINC000335946482 134020399 /nfs/dbraw/zinc/02/03/99/134020399.db2.gz SMOJESAACRWMLQ-WDEREUQCSA-N 2 2 222.336 0.945 20 0 BCADLP C[C@H]([NH3+])C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000353268374 134111021 /nfs/dbraw/zinc/11/10/21/134111021.db2.gz XTQWDWAAMXIFED-QMMMGPOBSA-N 2 2 222.292 0.463 20 0 BCADLP C[C@H]([NH3+])C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000353268374 134111022 /nfs/dbraw/zinc/11/10/22/134111022.db2.gz XTQWDWAAMXIFED-QMMMGPOBSA-N 2 2 222.292 0.463 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000336170979 134115216 /nfs/dbraw/zinc/11/52/16/134115216.db2.gz SDOPUCBWVMKMDQ-QWRGUYRKSA-N 2 2 208.309 0.867 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000336170979 134115217 /nfs/dbraw/zinc/11/52/17/134115217.db2.gz SDOPUCBWVMKMDQ-QWRGUYRKSA-N 2 2 208.309 0.867 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000336170954 134115317 /nfs/dbraw/zinc/11/53/17/134115317.db2.gz PSOXGDGDQRLYOS-GHMZBOCLSA-N 2 2 225.336 0.420 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000336170954 134115318 /nfs/dbraw/zinc/11/53/18/134115318.db2.gz PSOXGDGDQRLYOS-GHMZBOCLSA-N 2 2 225.336 0.420 20 0 BCADLP C[C@H]([NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000169809076 134251825 /nfs/dbraw/zinc/25/18/25/134251825.db2.gz HGPFPQFQUCLDOE-IUCAKERBSA-N 2 2 222.292 0.463 20 0 BCADLP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2COCC[NH2+]2)cc1 ZINC000178190316 134304379 /nfs/dbraw/zinc/30/43/79/134304379.db2.gz ZKCUGCOLOPRJRB-JOYOIKCWSA-N 2 2 249.314 0.633 20 0 BCADLP O=C1NCC[C@@H]1[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000178208716 134304996 /nfs/dbraw/zinc/30/49/96/134304996.db2.gz DXTHJWUATAKRAC-NSHDSACASA-N 2 2 234.303 0.409 20 0 BCADLP COC[C@H](O)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000223732455 134339014 /nfs/dbraw/zinc/33/90/14/134339014.db2.gz NPEFRPYVKBVGFZ-JFGNBEQYSA-N 2 2 228.336 0.209 20 0 BCADLP CO[C@@H](C)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000182190967 134342803 /nfs/dbraw/zinc/34/28/03/134342803.db2.gz RIWBTNSTGKOQGJ-QWHCGFSZSA-N 2 2 242.363 0.675 20 0 BCADLP CO[C@@H](C)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000182190967 134342804 /nfs/dbraw/zinc/34/28/04/134342804.db2.gz RIWBTNSTGKOQGJ-QWHCGFSZSA-N 2 2 242.363 0.675 20 0 BCADLP c1cn(CC[N@@H+]2CCO[C@@]3(CCOC3)C2)c[nH+]1 ZINC000185193197 134372923 /nfs/dbraw/zinc/37/29/23/134372923.db2.gz BUNFEVDTLLIIBG-LBPRGKRZSA-N 2 2 237.303 0.374 20 0 BCADLP c1cn(CC[N@H+]2CCO[C@@]3(CCOC3)C2)c[nH+]1 ZINC000185193197 134372924 /nfs/dbraw/zinc/37/29/24/134372924.db2.gz BUNFEVDTLLIIBG-LBPRGKRZSA-N 2 2 237.303 0.374 20 0 BCADLP C[C@@H](O)CCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000227568850 134383588 /nfs/dbraw/zinc/38/35/88/134383588.db2.gz UJPLMCIMOOMRJY-SNVBAGLBSA-N 2 2 240.351 0.737 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1CCCSC1 ZINC000250365165 135052954 /nfs/dbraw/zinc/05/29/54/135052954.db2.gz FLFAIAMOUZTQHA-RYUDHWBXSA-N 2 2 243.420 0.717 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CCCSC1 ZINC000250365165 135052957 /nfs/dbraw/zinc/05/29/57/135052957.db2.gz FLFAIAMOUZTQHA-RYUDHWBXSA-N 2 2 243.420 0.717 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCCOC1 ZINC000250370829 135052964 /nfs/dbraw/zinc/05/29/64/135052964.db2.gz INZATGSPPIVVPQ-NWDGAFQWSA-N 2 2 227.352 0.001 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCCOC1 ZINC000250370829 135052967 /nfs/dbraw/zinc/05/29/67/135052967.db2.gz INZATGSPPIVVPQ-NWDGAFQWSA-N 2 2 227.352 0.001 20 0 BCADLP C[C@H]1C[N@H+](Cc2cncn2C)CC[C@H]1[NH3+] ZINC000251738162 135076443 /nfs/dbraw/zinc/07/64/43/135076443.db2.gz KRZXOXFHGNEYSS-GXSJLCMTSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@H]1C[N@@H+](Cc2cncn2C)CC[C@H]1[NH3+] ZINC000251738162 135076445 /nfs/dbraw/zinc/07/64/45/135076445.db2.gz KRZXOXFHGNEYSS-GXSJLCMTSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@H]1CN(Cc2c[nH+]cn2C)CC[C@H]1[NH3+] ZINC000251738162 135076447 /nfs/dbraw/zinc/07/64/47/135076447.db2.gz KRZXOXFHGNEYSS-GXSJLCMTSA-N 2 2 208.309 0.589 20 0 BCADLP C[N@H+](CC(=O)NCC1CC1)CC(C)(C)C[NH3+] ZINC000086638071 135091879 /nfs/dbraw/zinc/09/18/79/135091879.db2.gz LIQDZIYIYMPWCU-UHFFFAOYSA-N 2 2 227.352 0.429 20 0 BCADLP C[N@@H+](CC(=O)NCC1CC1)CC(C)(C)C[NH3+] ZINC000086638071 135091881 /nfs/dbraw/zinc/09/18/81/135091881.db2.gz LIQDZIYIYMPWCU-UHFFFAOYSA-N 2 2 227.352 0.429 20 0 BCADLP c1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c[nH]1 ZINC000252543499 135092572 /nfs/dbraw/zinc/09/25/72/135092572.db2.gz HDJOTXQLWOFFGM-STQMWFEESA-N 2 2 235.331 0.968 20 0 BCADLP c1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c[nH]1 ZINC000252543499 135092574 /nfs/dbraw/zinc/09/25/74/135092574.db2.gz HDJOTXQLWOFFGM-STQMWFEESA-N 2 2 235.331 0.968 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886950 135100256 /nfs/dbraw/zinc/10/02/56/135100256.db2.gz MALOXJWRGHYYPB-VWYCJHECSA-N 2 2 227.352 0.570 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886950 135100258 /nfs/dbraw/zinc/10/02/58/135100258.db2.gz MALOXJWRGHYYPB-VWYCJHECSA-N 2 2 227.352 0.570 20 0 BCADLP CCS(=O)(=O)CC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252763583 135108369 /nfs/dbraw/zinc/10/83/69/135108369.db2.gz HNWBWCJYQTYOSD-UWVGGRQHSA-N 2 2 234.365 0.090 20 0 BCADLP CCS(=O)(=O)CC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252763583 135108371 /nfs/dbraw/zinc/10/83/71/135108371.db2.gz HNWBWCJYQTYOSD-UWVGGRQHSA-N 2 2 234.365 0.090 20 0 BCADLP C[C@@]1(C[N@@H+]2CC[C@](F)(CO)C2)CC[NH2+]C1 ZINC000261555099 135108666 /nfs/dbraw/zinc/10/86/66/135108666.db2.gz UROYYFHJKTYTRW-GHMZBOCLSA-N 2 2 216.300 0.392 20 0 BCADLP C[C@@]1(C[N@H+]2CC[C@](F)(CO)C2)CC[NH2+]C1 ZINC000261555099 135108667 /nfs/dbraw/zinc/10/86/67/135108667.db2.gz UROYYFHJKTYTRW-GHMZBOCLSA-N 2 2 216.300 0.392 20 0 BCADLP CCC[C@H](C(=O)OCC)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252890362 135115930 /nfs/dbraw/zinc/11/59/30/135115930.db2.gz HNUSUMIGNKVGOA-SDDRHHMPSA-N 2 2 240.347 0.869 20 0 BCADLP C[C@H](C[NH+](C)C)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000252957696 135117854 /nfs/dbraw/zinc/11/78/54/135117854.db2.gz SLUJQTUAWCSIST-MXWKQRLJSA-N 2 2 200.326 0.951 20 0 BCADLP COCC[C@H](C)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000252958369 135117927 /nfs/dbraw/zinc/11/79/27/135117927.db2.gz LFFHYVXNAQGHMG-TUAOUCFPSA-N 2 2 230.352 0.768 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000257640715 135137339 /nfs/dbraw/zinc/13/73/39/135137339.db2.gz AXJAQRDYOCLOSM-GFCCVEGCSA-N 2 2 220.320 0.606 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000257640715 135137340 /nfs/dbraw/zinc/13/73/40/135137340.db2.gz AXJAQRDYOCLOSM-GFCCVEGCSA-N 2 2 220.320 0.606 20 0 BCADLP CC[C@H](C)NC(=O)[C@H](C)[N@H+](C)CCC[NH2+]C ZINC000087472643 135142404 /nfs/dbraw/zinc/14/24/04/135142404.db2.gz YUJOOTSFRSZQIJ-QWRGUYRKSA-N 2 2 229.368 0.831 20 0 BCADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CCC[NH2+]C ZINC000087472643 135142406 /nfs/dbraw/zinc/14/24/06/135142406.db2.gz YUJOOTSFRSZQIJ-QWRGUYRKSA-N 2 2 229.368 0.831 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@@H+]1CCn1cncn1 ZINC000261529560 135155949 /nfs/dbraw/zinc/15/59/49/135155949.db2.gz BAGXZZAYPGZWEE-SNVBAGLBSA-N 2 2 209.297 0.091 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@H+]1CCn1cncn1 ZINC000261529560 135155951 /nfs/dbraw/zinc/15/59/51/135155951.db2.gz BAGXZZAYPGZWEE-SNVBAGLBSA-N 2 2 209.297 0.091 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000261533113 135163996 /nfs/dbraw/zinc/16/39/96/135163996.db2.gz VQYXBUFGPXHUEZ-PSASIEDQSA-N 2 2 221.260 0.051 20 0 BCADLP C[C@@H]1CCN(Cc2c[nH+]cn2C)[C@H](C[NH3+])C1 ZINC000261533695 135166044 /nfs/dbraw/zinc/16/60/44/135166044.db2.gz KJHHWXNYZLQCJH-MNOVXSKESA-N 2 2 222.336 0.979 20 0 BCADLP [NH3+]Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)no1 ZINC000261535212 135168428 /nfs/dbraw/zinc/16/84/28/135168428.db2.gz WOXZHQZRAUVFAR-DTORHVGOSA-N 2 2 222.292 0.760 20 0 BCADLP [NH3+]Cc1nc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)no1 ZINC000261535212 135168429 /nfs/dbraw/zinc/16/84/29/135168429.db2.gz WOXZHQZRAUVFAR-DTORHVGOSA-N 2 2 222.292 0.760 20 0 BCADLP C[C@@H]1CC[N@H+](Cc2cnn(C)c2)[C@H](C[NH3+])C1 ZINC000261535488 135169290 /nfs/dbraw/zinc/16/92/90/135169290.db2.gz ZOYDRKAZDXQDCG-PWSUYJOCSA-N 2 2 222.336 0.979 20 0 BCADLP C[C@@H]1CC[N@@H+](Cc2cnn(C)c2)[C@H](C[NH3+])C1 ZINC000261535488 135169291 /nfs/dbraw/zinc/16/92/91/135169291.db2.gz ZOYDRKAZDXQDCG-PWSUYJOCSA-N 2 2 222.336 0.979 20 0 BCADLP Cn1ccnc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261535694 135170435 /nfs/dbraw/zinc/17/04/35/135170435.db2.gz PBGOEBXAJWBAKS-NSHDSACASA-N 2 2 208.309 0.591 20 0 BCADLP Cn1ccnc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261535694 135170436 /nfs/dbraw/zinc/17/04/36/135170436.db2.gz PBGOEBXAJWBAKS-NSHDSACASA-N 2 2 208.309 0.591 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@@](C)(C[NH3+])C1 ZINC000261535694 135170438 /nfs/dbraw/zinc/17/04/38/135170438.db2.gz PBGOEBXAJWBAKS-NSHDSACASA-N 2 2 208.309 0.591 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261536489 135171811 /nfs/dbraw/zinc/17/18/11/135171811.db2.gz RWZGWTRKPSTTEB-NSHDSACASA-N 2 2 213.325 0.183 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261536489 135171812 /nfs/dbraw/zinc/17/18/12/135171812.db2.gz RWZGWTRKPSTTEB-NSHDSACASA-N 2 2 213.325 0.183 20 0 BCADLP C[N@@H+](Cc1cc[nH]n1)C[C@H]1CCC[NH2+]C1 ZINC000261539975 135178960 /nfs/dbraw/zinc/17/89/60/135178960.db2.gz DJQDPVKYRSGWTR-JTQLQIEISA-N 2 2 208.309 0.841 20 0 BCADLP C[N@H+](Cc1cc[nH]n1)C[C@H]1CCC[NH2+]C1 ZINC000261539975 135178961 /nfs/dbraw/zinc/17/89/61/135178961.db2.gz DJQDPVKYRSGWTR-JTQLQIEISA-N 2 2 208.309 0.841 20 0 BCADLP C[C@@H]1CC[N@H+](CC(C)(C)[NH3+])[C@H](C(N)=O)C1 ZINC000261540187 135179524 /nfs/dbraw/zinc/17/95/24/135179524.db2.gz DTNNFCSWIPNODU-BDAKNGLRSA-N 2 2 213.325 0.310 20 0 BCADLP C[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])[C@H](C(N)=O)C1 ZINC000261540187 135179525 /nfs/dbraw/zinc/17/95/25/135179525.db2.gz DTNNFCSWIPNODU-BDAKNGLRSA-N 2 2 213.325 0.310 20 0 BCADLP C[C@H]1[NH2+]CCN(Cc2c[nH+]cn2C)[C@@H]1C ZINC000261540843 135179910 /nfs/dbraw/zinc/17/99/10/135179910.db2.gz FIWQAESMWARWTI-NXEZZACHSA-N 2 2 208.309 0.602 20 0 BCADLP CCC[C@](C)(O)C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000261544948 135185942 /nfs/dbraw/zinc/18/59/42/135185942.db2.gz FILIUAKCTOCYMR-AVGNSLFASA-N 2 2 244.379 0.894 20 0 BCADLP Cc1ccc(O)c(C[N@@H+](C)[C@H](C)C[NH3+])n1 ZINC000261544551 135186023 /nfs/dbraw/zinc/18/60/23/135186023.db2.gz JAHTVSDEXZLGOL-SECBINFHSA-N 2 2 209.293 0.875 20 0 BCADLP Cc1ccc(O)c(C[N@H+](C)[C@H](C)C[NH3+])n1 ZINC000261544551 135186024 /nfs/dbraw/zinc/18/60/24/135186024.db2.gz JAHTVSDEXZLGOL-SECBINFHSA-N 2 2 209.293 0.875 20 0 BCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000261548579 135187911 /nfs/dbraw/zinc/18/79/11/135187911.db2.gz JRRJOBVNNUKECI-GHMZBOCLSA-N 2 2 236.319 0.387 20 0 BCADLP Cc1[nH]ncc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000084220132 135192549 /nfs/dbraw/zinc/19/25/49/135192549.db2.gz YTSSRANTAIDLKW-ONGXEEELSA-N 2 2 208.309 0.935 20 0 BCADLP Cc1[nH]ncc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000084220130 135192767 /nfs/dbraw/zinc/19/27/67/135192767.db2.gz YTSSRANTAIDLKW-GXSJLCMTSA-N 2 2 208.309 0.935 20 0 BCADLP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000084216428 135192831 /nfs/dbraw/zinc/19/28/31/135192831.db2.gz ZJYCTXMWQYJMGY-NEPJUHHUSA-N 3 2 222.336 0.990 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261555282 135195534 /nfs/dbraw/zinc/19/55/34/135195534.db2.gz PSCQLVCHWTYXJH-RYUDHWBXSA-N 2 2 239.363 0.442 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261555282 135195535 /nfs/dbraw/zinc/19/55/35/135195535.db2.gz PSCQLVCHWTYXJH-RYUDHWBXSA-N 2 2 239.363 0.442 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261556104 135195819 /nfs/dbraw/zinc/19/58/19/135195819.db2.gz QHKZXNWQEFVHSH-QJPTWQEYSA-N 2 2 239.363 0.442 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261556104 135195821 /nfs/dbraw/zinc/19/58/21/135195821.db2.gz QHKZXNWQEFVHSH-QJPTWQEYSA-N 2 2 239.363 0.442 20 0 BCADLP Cc1nn(C)cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261557787 135198723 /nfs/dbraw/zinc/19/87/23/135198723.db2.gz SASVJUNRINAXMV-NEPJUHHUSA-N 2 2 234.347 0.770 20 0 BCADLP Cc1nn(C)cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261557787 135198725 /nfs/dbraw/zinc/19/87/25/135198725.db2.gz SASVJUNRINAXMV-NEPJUHHUSA-N 2 2 234.347 0.770 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261558856 135199611 /nfs/dbraw/zinc/19/96/11/135199611.db2.gz STXCIIBFCIKYHU-SCVCMEIPSA-N 2 2 237.347 0.337 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261558856 135199613 /nfs/dbraw/zinc/19/96/13/135199613.db2.gz STXCIIBFCIKYHU-SCVCMEIPSA-N 2 2 237.347 0.337 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000261566086 135207626 /nfs/dbraw/zinc/20/76/26/135207626.db2.gz DHINSFUQBVXLLA-NXEZZACHSA-N 2 2 208.309 0.969 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000261566086 135207627 /nfs/dbraw/zinc/20/76/27/135207627.db2.gz DHINSFUQBVXLLA-NXEZZACHSA-N 2 2 208.309 0.969 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000261566091 135207631 /nfs/dbraw/zinc/20/76/31/135207631.db2.gz DHINSFUQBVXLLA-ZJUUUORDSA-N 2 2 208.309 0.969 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000261566091 135207632 /nfs/dbraw/zinc/20/76/32/135207632.db2.gz DHINSFUQBVXLLA-ZJUUUORDSA-N 2 2 208.309 0.969 20 0 BCADLP CC(C)NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000261566149 135208635 /nfs/dbraw/zinc/20/86/35/135208635.db2.gz DJNJWJLURRDTGM-NSHDSACASA-N 2 2 213.325 0.228 20 0 BCADLP CN1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1=O ZINC000261566102 135208852 /nfs/dbraw/zinc/20/88/52/135208852.db2.gz ICVDBVCQVXQAQX-WQAKAFBOSA-N 2 2 245.326 0.952 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000261572016 135214009 /nfs/dbraw/zinc/21/40/09/135214009.db2.gz HZAVZJQRIRODCM-NWDGAFQWSA-N 2 2 220.320 0.604 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000261572016 135214010 /nfs/dbraw/zinc/21/40/10/135214010.db2.gz HZAVZJQRIRODCM-NWDGAFQWSA-N 2 2 220.320 0.604 20 0 BCADLP CNC(=O)CC1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000261573758 135215747 /nfs/dbraw/zinc/21/57/47/135215747.db2.gz IYFYNWFQBHWGLL-VIFPVBQESA-N 2 2 213.325 0.182 20 0 BCADLP OC1(C2CC2)C[NH+](CCn2cc[nH+]c2)C1 ZINC000084377144 135215778 /nfs/dbraw/zinc/21/57/78/135215778.db2.gz GGXQRWWCIQFDSL-UHFFFAOYSA-N 2 2 207.277 0.340 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000261577666 135219328 /nfs/dbraw/zinc/21/93/28/135219328.db2.gz LHHORRUKIZRLLG-BIIVOSGPSA-N 2 2 226.242 0.721 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000261577666 135219330 /nfs/dbraw/zinc/21/93/30/135219330.db2.gz LHHORRUKIZRLLG-BIIVOSGPSA-N 2 2 226.242 0.721 20 0 BCADLP CCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000261580315 135221651 /nfs/dbraw/zinc/22/16/51/135221651.db2.gz MXVLTVVPMMJAJH-NXEZZACHSA-N 2 2 213.325 0.324 20 0 BCADLP CCC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000261580315 135221653 /nfs/dbraw/zinc/22/16/53/135221653.db2.gz MXVLTVVPMMJAJH-NXEZZACHSA-N 2 2 213.325 0.324 20 0 BCADLP Cc1[nH]ncc1C[NH+]1CCC(C[NH3+])CC1 ZINC000261583392 135223926 /nfs/dbraw/zinc/22/39/26/135223926.db2.gz OZMPKOUUXALQGU-UHFFFAOYSA-N 2 2 208.309 0.889 20 0 BCADLP Cc1ccccc1C[N@H+](CC[NH3+])CCO ZINC000261586950 135227707 /nfs/dbraw/zinc/22/77/07/135227707.db2.gz RKBLJEFBVUPECX-UHFFFAOYSA-N 2 2 208.305 0.748 20 0 BCADLP Cc1ccccc1C[N@@H+](CC[NH3+])CCO ZINC000261586950 135227708 /nfs/dbraw/zinc/22/77/08/135227708.db2.gz RKBLJEFBVUPECX-UHFFFAOYSA-N 2 2 208.305 0.748 20 0 BCADLP C[C@@H]1CCC[N@H+](CCn2cncn2)[C@H]1C[NH3+] ZINC000261587936 135228693 /nfs/dbraw/zinc/22/86/93/135228693.db2.gz RZCOVXRZRHOPIU-MNOVXSKESA-N 2 2 223.324 0.337 20 0 BCADLP C[C@@H]1CCC[N@@H+](CCn2cncn2)[C@H]1C[NH3+] ZINC000261587936 135228694 /nfs/dbraw/zinc/22/86/94/135228694.db2.gz RZCOVXRZRHOPIU-MNOVXSKESA-N 2 2 223.324 0.337 20 0 BCADLP Cn1nccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261598110 135236761 /nfs/dbraw/zinc/23/67/61/135236761.db2.gz ZKXBMBYRPRINQT-MNOVXSKESA-N 2 2 220.320 0.461 20 0 BCADLP Cn1nccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261598110 135236762 /nfs/dbraw/zinc/23/67/62/135236762.db2.gz ZKXBMBYRPRINQT-MNOVXSKESA-N 2 2 220.320 0.461 20 0 BCADLP C[C@@H]([NH3+])C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000261693959 135245769 /nfs/dbraw/zinc/24/57/69/135245769.db2.gz FDPRXUNUZCOXLA-SECBINFHSA-N 2 2 245.286 0.231 20 0 BCADLP C[C@H]([NH3+])CC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000261738082 135248817 /nfs/dbraw/zinc/24/88/17/135248817.db2.gz GKSBNPZYSLJVME-VIFPVBQESA-N 2 2 236.319 0.501 20 0 BCADLP C[C@]1(C[N@H+](CCO)Cc2cccnc2)CC[NH2+]C1 ZINC000261747800 135249898 /nfs/dbraw/zinc/24/98/98/135249898.db2.gz JHJMSXCLUURAMQ-AWEZNQCLSA-N 2 2 249.358 0.876 20 0 BCADLP C[C@]1(C[N@@H+](CCO)Cc2cccnc2)CC[NH2+]C1 ZINC000261747800 135249899 /nfs/dbraw/zinc/24/98/99/135249899.db2.gz JHJMSXCLUURAMQ-AWEZNQCLSA-N 2 2 249.358 0.876 20 0 BCADLP COC(=O)C(C)(C)CC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000261809346 135254234 /nfs/dbraw/zinc/25/42/34/135254234.db2.gz HNZJPNYURSMWHU-JTQLQIEISA-N 2 2 228.336 0.999 20 0 BCADLP COC(=O)C(C)(C)CC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000261809346 135254235 /nfs/dbraw/zinc/25/42/35/135254235.db2.gz HNZJPNYURSMWHU-JTQLQIEISA-N 2 2 228.336 0.999 20 0 BCADLP C[C@H]([NH3+])CC(=O)NCc1cn2ccccc2[nH+]1 ZINC000261884221 135260122 /nfs/dbraw/zinc/26/01/22/135260122.db2.gz ULNDTEMVOSHLFV-VIFPVBQESA-N 2 2 232.287 0.688 20 0 BCADLP C[C@]1(C[NH3+])CC[N@H+](Cc2cnc3cnccn23)C1 ZINC000261923803 135263552 /nfs/dbraw/zinc/26/35/52/135263552.db2.gz YYVKKXNAXLZWIB-CYBMUJFWSA-N 2 2 245.330 0.900 20 0 BCADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000261923803 135263553 /nfs/dbraw/zinc/26/35/53/135263553.db2.gz YYVKKXNAXLZWIB-CYBMUJFWSA-N 2 2 245.330 0.900 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000342415925 135266698 /nfs/dbraw/zinc/26/66/98/135266698.db2.gz OIVBOBYLCXEGGJ-UWVGGRQHSA-N 2 2 236.319 0.234 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000342415925 135266700 /nfs/dbraw/zinc/26/67/00/135266700.db2.gz OIVBOBYLCXEGGJ-UWVGGRQHSA-N 2 2 236.319 0.234 20 0 BCADLP COC[C@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000262017591 135272691 /nfs/dbraw/zinc/27/26/91/135272691.db2.gz MVXHWHHFUYJICM-VXGBXAGGSA-N 2 2 228.336 0.333 20 0 BCADLP COC[C@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000262017591 135272693 /nfs/dbraw/zinc/27/26/93/135272693.db2.gz MVXHWHHFUYJICM-VXGBXAGGSA-N 2 2 228.336 0.333 20 0 BCADLP Cn1nncc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262093927 135278319 /nfs/dbraw/zinc/27/83/19/135278319.db2.gz VAGHMNSZIBNBGP-NSHDSACASA-N 2 2 221.308 0.001 20 0 BCADLP Cn1nncc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262093927 135278321 /nfs/dbraw/zinc/27/83/21/135278321.db2.gz VAGHMNSZIBNBGP-NSHDSACASA-N 2 2 221.308 0.001 20 0 BCADLP C[NH2+]CCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000262342518 135293753 /nfs/dbraw/zinc/29/37/53/135293753.db2.gz IBAYOCAGPQEAFE-SNVBAGLBSA-N 2 2 236.319 0.725 20 0 BCADLP C[C@@H](C[NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000262367711 135297811 /nfs/dbraw/zinc/29/78/11/135297811.db2.gz LGLFHZPCZPFMEB-VHSXEESVSA-N 2 2 236.319 0.711 20 0 BCADLP C[C@H](C[NH3+])C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000262447519 135299831 /nfs/dbraw/zinc/29/98/31/135299831.db2.gz VLUVNHAXXWYBPO-SECBINFHSA-N 2 2 236.319 0.711 20 0 BCADLP COc1cc[nH+]cc1NC(=O)C[C@@H](C[NH3+])OC ZINC000262764216 135317434 /nfs/dbraw/zinc/31/74/34/135317434.db2.gz GSXUPYHXMGPNMH-QMMMGPOBSA-N 2 2 239.275 0.393 20 0 BCADLP Cc1c[nH+]c(CN2C[C@@H]3[NH2+]CCC[C@H]3C2)n1C ZINC000342799874 135320334 /nfs/dbraw/zinc/32/03/34/135320334.db2.gz PDHAHGYSJPZCBN-RYUDHWBXSA-N 2 2 234.347 0.912 20 0 BCADLP Cc1c[nH+]c(CN2CC[N@@H+](C)C[C@H]2C)n1C ZINC000342798506 135320452 /nfs/dbraw/zinc/32/04/52/135320452.db2.gz UUBZUWAGWNZZAD-LLVKDONJSA-N 2 2 222.336 0.864 20 0 BCADLP Cc1c[nH+]c(CN2CC[N@H+](C)C[C@H]2C)n1C ZINC000342798506 135320454 /nfs/dbraw/zinc/32/04/54/135320454.db2.gz UUBZUWAGWNZZAD-LLVKDONJSA-N 2 2 222.336 0.864 20 0 BCADLP CC(C)[C@H](C)NC(=O)C1CC[NH+](CC[NH3+])CC1 ZINC000262996169 135326842 /nfs/dbraw/zinc/32/68/42/135326842.db2.gz OHIDOPWTLKJVLH-NSHDSACASA-N 2 2 241.379 0.818 20 0 BCADLP C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263170315 135337270 /nfs/dbraw/zinc/33/72/70/135337270.db2.gz FQRUFNUPZULFLO-IUCAKERBSA-N 2 2 247.289 0.146 20 0 BCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ncc[nH]1 ZINC000342999354 135343829 /nfs/dbraw/zinc/34/38/29/135343829.db2.gz ZADXBRVLVRMCDM-LLVKDONJSA-N 2 2 237.351 0.135 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000334820429 135832805 /nfs/dbraw/zinc/83/28/05/135832805.db2.gz HXALCUGPTWUWJH-DTWKUNHWSA-N 2 2 222.292 0.669 20 0 BCADLP Cc1cc(NC(=O)N(C)[C@@H](C)C[NH3+])cc[nH+]1 ZINC000334822941 135833613 /nfs/dbraw/zinc/83/36/13/135833613.db2.gz GZLCRAMDJMKDPD-VIFPVBQESA-N 2 2 222.292 0.623 20 0 BCADLP Cc1cc(NC(=O)NC(C)(C)C[NH3+])cc[nH+]1 ZINC000334824270 135833952 /nfs/dbraw/zinc/83/39/52/135833952.db2.gz MJRDHIBPVZVLSK-UHFFFAOYSA-N 2 2 222.292 0.671 20 0 BCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000335283987 136001637 /nfs/dbraw/zinc/00/16/37/136001637.db2.gz ZJBVBTDIANHCMJ-WDEREUQCSA-N 2 2 234.303 0.394 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1CO ZINC000347732364 136004335 /nfs/dbraw/zinc/00/43/35/136004335.db2.gz IWKIHSDUBSYPMC-NSHDSACASA-N 2 2 209.293 0.419 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1CO ZINC000347732364 136004336 /nfs/dbraw/zinc/00/43/36/136004336.db2.gz IWKIHSDUBSYPMC-NSHDSACASA-N 2 2 209.293 0.419 20 0 BCADLP Cn1c[nH+]cc1CC[NH+]1CCC(O)CC1 ZINC000347736832 136004338 /nfs/dbraw/zinc/00/43/38/136004338.db2.gz USJPCEOKUXPLCQ-UHFFFAOYSA-N 2 2 209.293 0.419 20 0 BCADLP C[C@@H](C[S@@](C)=O)[N@H+](C)CCc1c[nH+]cn1C ZINC000347797329 136010678 /nfs/dbraw/zinc/01/06/78/136010678.db2.gz YJCJCTQDYALESF-MGPLVRAMSA-N 2 2 243.376 0.661 20 0 BCADLP C[C@@H](C[S@@](C)=O)[N@@H+](C)CCc1c[nH+]cn1C ZINC000347797329 136010679 /nfs/dbraw/zinc/01/06/79/136010679.db2.gz YJCJCTQDYALESF-MGPLVRAMSA-N 2 2 243.376 0.661 20 0 BCADLP CNC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000335312266 136030051 /nfs/dbraw/zinc/03/00/51/136030051.db2.gz NMZHCAAZLNRVTP-ZACCUICWSA-N 2 2 225.336 0.289 20 0 BCADLP CNC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000335312266 136030052 /nfs/dbraw/zinc/03/00/52/136030052.db2.gz NMZHCAAZLNRVTP-ZACCUICWSA-N 2 2 225.336 0.289 20 0 BCADLP CNC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000335312266 136030053 /nfs/dbraw/zinc/03/00/53/136030053.db2.gz NMZHCAAZLNRVTP-ZACCUICWSA-N 2 2 225.336 0.289 20 0 BCADLP CNC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000335312266 136030054 /nfs/dbraw/zinc/03/00/54/136030054.db2.gz NMZHCAAZLNRVTP-ZACCUICWSA-N 2 2 225.336 0.289 20 0 BCADLP CNC(=O)C[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000348052430 136031060 /nfs/dbraw/zinc/03/10/60/136031060.db2.gz STKIMMCFCCNTPO-SNVBAGLBSA-N 2 2 213.325 0.149 20 0 BCADLP CNC(=O)C[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000348052430 136031061 /nfs/dbraw/zinc/03/10/61/136031061.db2.gz STKIMMCFCCNTPO-SNVBAGLBSA-N 2 2 213.325 0.149 20 0 BCADLP CNC(=O)C[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000348052430 136031062 /nfs/dbraw/zinc/03/10/62/136031062.db2.gz STKIMMCFCCNTPO-SNVBAGLBSA-N 2 2 213.325 0.149 20 0 BCADLP CNC(=O)C[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000348052430 136031063 /nfs/dbraw/zinc/03/10/63/136031063.db2.gz STKIMMCFCCNTPO-SNVBAGLBSA-N 2 2 213.325 0.149 20 0 BCADLP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCNC1=O ZINC000348311823 136067484 /nfs/dbraw/zinc/06/74/84/136067484.db2.gz JPCYIFXIFSVFLU-GHMZBOCLSA-N 2 2 225.336 0.291 20 0 BCADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCNC1=O ZINC000348311823 136067485 /nfs/dbraw/zinc/06/74/85/136067485.db2.gz JPCYIFXIFSVFLU-GHMZBOCLSA-N 2 2 225.336 0.291 20 0 BCADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCNC1=O ZINC000348311823 136067486 /nfs/dbraw/zinc/06/74/86/136067486.db2.gz JPCYIFXIFSVFLU-GHMZBOCLSA-N 2 2 225.336 0.291 20 0 BCADLP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1CCNC1=O ZINC000348311823 136067487 /nfs/dbraw/zinc/06/74/87/136067487.db2.gz JPCYIFXIFSVFLU-GHMZBOCLSA-N 2 2 225.336 0.291 20 0 BCADLP CC[C@H](COC)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166127230 136073018 /nfs/dbraw/zinc/07/30/18/136073018.db2.gz IJRVIVGHBARVAU-IJLUTSLNSA-N 2 2 230.352 0.768 20 0 BCADLP Cc1n[nH]cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000335372018 136083793 /nfs/dbraw/zinc/08/37/93/136083793.db2.gz VCYHTNLZBDDXEC-ZYHUDNBSSA-N 2 2 220.320 0.759 20 0 BCADLP Cc1n[nH]cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000335372018 136083794 /nfs/dbraw/zinc/08/37/94/136083794.db2.gz VCYHTNLZBDDXEC-ZYHUDNBSSA-N 2 2 220.320 0.759 20 0 BCADLP Cc1n[nH]cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000335372016 136084188 /nfs/dbraw/zinc/08/41/88/136084188.db2.gz VCYHTNLZBDDXEC-JQWIXIFHSA-N 2 2 220.320 0.759 20 0 BCADLP Cc1n[nH]cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000335372016 136084189 /nfs/dbraw/zinc/08/41/89/136084189.db2.gz VCYHTNLZBDDXEC-JQWIXIFHSA-N 2 2 220.320 0.759 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335399133 136093913 /nfs/dbraw/zinc/09/39/13/136093913.db2.gz LQSIQHNSTJGSAA-ONGXEEELSA-N 2 2 211.309 0.986 20 0 BCADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335399133 136093914 /nfs/dbraw/zinc/09/39/14/136093914.db2.gz LQSIQHNSTJGSAA-ONGXEEELSA-N 2 2 211.309 0.986 20 0 BCADLP CN1CC[C@H]([N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000335570402 136109290 /nfs/dbraw/zinc/10/92/90/136109290.db2.gz OHCSBUBGNCEUOZ-WCQYABFASA-N 2 2 237.347 0.245 20 0 BCADLP CN1CC[C@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000335570402 136109291 /nfs/dbraw/zinc/10/92/91/136109291.db2.gz OHCSBUBGNCEUOZ-WCQYABFASA-N 2 2 237.347 0.245 20 0 BCADLP CN1CC[C@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1=O ZINC000335570402 136109292 /nfs/dbraw/zinc/10/92/92/136109292.db2.gz OHCSBUBGNCEUOZ-WCQYABFASA-N 2 2 237.347 0.245 20 0 BCADLP CN1CC[C@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000335570402 136109293 /nfs/dbraw/zinc/10/92/93/136109293.db2.gz OHCSBUBGNCEUOZ-WCQYABFASA-N 2 2 237.347 0.245 20 0 BCADLP Cn1cc(CC[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cn1 ZINC000367048410 136113399 /nfs/dbraw/zinc/11/33/99/136113399.db2.gz UXIHUWADVCANLM-KBPBESRZSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1cc(CC[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cn1 ZINC000367048410 136113400 /nfs/dbraw/zinc/11/34/00/136113400.db2.gz UXIHUWADVCANLM-KBPBESRZSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1cc(CC[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cn1 ZINC000367048410 136113401 /nfs/dbraw/zinc/11/34/01/136113401.db2.gz UXIHUWADVCANLM-KBPBESRZSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1cc(CC[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cn1 ZINC000367048410 136113402 /nfs/dbraw/zinc/11/34/02/136113402.db2.gz UXIHUWADVCANLM-KBPBESRZSA-N 2 2 248.374 0.989 20 0 BCADLP C[NH+](C)CC(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000647628410 397792974 /nfs/dbraw/zinc/79/29/74/397792974.db2.gz KXAPSXUFOXNLQR-QWRGUYRKSA-N 2 2 243.326 0.193 20 0 BCADLP C[NH+](C)CC(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000647628411 397793034 /nfs/dbraw/zinc/79/30/34/397793034.db2.gz KXAPSXUFOXNLQR-WDEREUQCSA-N 2 2 243.326 0.193 20 0 BCADLP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000647891440 397934860 /nfs/dbraw/zinc/93/48/60/397934860.db2.gz BQECYHAOVRSZFM-FRRDWIJNSA-N 2 2 240.347 0.476 20 0 BCADLP C([C@@H]1CC[NH2+]C1)[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000647891440 397934861 /nfs/dbraw/zinc/93/48/61/397934861.db2.gz BQECYHAOVRSZFM-FRRDWIJNSA-N 2 2 240.347 0.476 20 0 BCADLP O=C1OCC[C@H]1[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266890201 397939597 /nfs/dbraw/zinc/93/95/97/397939597.db2.gz CQSKLBXXXFOUCA-VHSXEESVSA-N 2 2 235.287 0.905 20 0 BCADLP O=C1OCC[C@H]1[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266890201 397939599 /nfs/dbraw/zinc/93/95/99/397939599.db2.gz CQSKLBXXXFOUCA-VHSXEESVSA-N 2 2 235.287 0.905 20 0 BCADLP COC[C@](C)(CCO)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000649550422 397942661 /nfs/dbraw/zinc/94/26/61/397942661.db2.gz NBMWHTLOQGANFH-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP COC[C@](C)(CCO)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000649550422 397942663 /nfs/dbraw/zinc/94/26/63/397942663.db2.gz NBMWHTLOQGANFH-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP [NH3+]CCC[NH+]1CCN(c2ccccn2)CC1 ZINC000011953180 397902944 /nfs/dbraw/zinc/90/29/44/397902944.db2.gz WMVGBYAGZBNDBV-UHFFFAOYSA-N 2 2 220.320 0.552 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000493085613 397912193 /nfs/dbraw/zinc/91/21/93/397912193.db2.gz CMXWCDWPKAMCMU-XXJOZFEBSA-N 2 2 248.330 0.864 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@H]([NH3+])C1CC1 ZINC000493086550 397912286 /nfs/dbraw/zinc/91/22/86/397912286.db2.gz QYSOIPHHKSPBJB-QRGHLMKCSA-N 2 2 248.330 0.770 20 0 BCADLP CO[C@@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537790 397918784 /nfs/dbraw/zinc/91/87/84/397918784.db2.gz QVBJRIALPKFUFU-XKNYDFJKSA-N 2 2 204.289 0.699 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)[C@@H](C)O1 ZINC000643538410 397918924 /nfs/dbraw/zinc/91/89/24/397918924.db2.gz JSRDIAKIUHTRSR-UVOCVTCTSA-N 2 2 216.300 0.842 20 0 BCADLP C[N@H+](Cc1cc(C(N)=O)cs1)C1CC([NH3+])C1 ZINC000414768454 398030796 /nfs/dbraw/zinc/03/07/96/398030796.db2.gz IBIBIQYJCJFZMJ-UHFFFAOYSA-N 2 2 239.344 0.769 20 0 BCADLP C[N@@H+](Cc1cc(C(N)=O)cs1)C1CC([NH3+])C1 ZINC000414768454 398030800 /nfs/dbraw/zinc/03/08/00/398030800.db2.gz IBIBIQYJCJFZMJ-UHFFFAOYSA-N 2 2 239.344 0.769 20 0 BCADLP O=C([C@H]1CCC[NH2+]1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000169813037 398031498 /nfs/dbraw/zinc/03/14/98/398031498.db2.gz ZBUFXZWUHZCFBW-LLVKDONJSA-N 2 2 248.330 0.868 20 0 BCADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000382754212 397972486 /nfs/dbraw/zinc/97/24/86/397972486.db2.gz KNVDWUFWYFELJJ-WDEREUQCSA-N 2 2 241.379 0.831 20 0 BCADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000382754212 397972490 /nfs/dbraw/zinc/97/24/90/397972490.db2.gz KNVDWUFWYFELJJ-WDEREUQCSA-N 2 2 241.379 0.831 20 0 BCADLP Cc1nnsc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000649594890 397982597 /nfs/dbraw/zinc/98/25/97/397982597.db2.gz SKMQDSKQWAWCNU-AOOOYVTPSA-N 2 2 238.360 0.840 20 0 BCADLP Cc1nnsc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000649594890 397982599 /nfs/dbraw/zinc/98/25/99/397982599.db2.gz SKMQDSKQWAWCNU-AOOOYVTPSA-N 2 2 238.360 0.840 20 0 BCADLP Cc1nnsc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000649594890 397982601 /nfs/dbraw/zinc/98/26/01/397982601.db2.gz SKMQDSKQWAWCNU-AOOOYVTPSA-N 2 2 238.360 0.840 20 0 BCADLP Cc1nnsc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000649594890 397982602 /nfs/dbraw/zinc/98/26/02/397982602.db2.gz SKMQDSKQWAWCNU-AOOOYVTPSA-N 2 2 238.360 0.840 20 0 BCADLP Cc1ccncc1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313345340 398043824 /nfs/dbraw/zinc/04/38/24/398043824.db2.gz FNBYPLMEIVSIEB-CYBMUJFWSA-N 2 2 235.331 0.940 20 0 BCADLP Cc1ccncc1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313345340 398043829 /nfs/dbraw/zinc/04/38/29/398043829.db2.gz FNBYPLMEIVSIEB-CYBMUJFWSA-N 2 2 235.331 0.940 20 0 BCADLP CC(C)C[C@H]([NH3+])C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414853966 398061941 /nfs/dbraw/zinc/06/19/41/398061941.db2.gz LQFJPZVNTOOSKZ-NEPJUHHUSA-N 3 2 213.369 0.949 20 0 BCADLP CC[C@](C)([NH3+])c1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000384190663 398072116 /nfs/dbraw/zinc/07/21/16/398072116.db2.gz VHNHMCATBCWCJE-JTQLQIEISA-N 2 2 220.280 0.633 20 0 BCADLP C[NH+](C)C1CC[NH+](CCn2ccnc2)CC1 ZINC000162508385 398081142 /nfs/dbraw/zinc/08/11/42/398081142.db2.gz YDCDZOKUOAMVHP-UHFFFAOYSA-N 2 2 222.336 0.909 20 0 BCADLP C[NH+](C)C1CCN(CCn2cc[nH+]c2)CC1 ZINC000162508385 398081146 /nfs/dbraw/zinc/08/11/46/398081146.db2.gz YDCDZOKUOAMVHP-UHFFFAOYSA-N 2 2 222.336 0.909 20 0 BCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000558033438 398082099 /nfs/dbraw/zinc/08/20/99/398082099.db2.gz OCWGRVFZYYAXCP-ZDUSSCGKSA-N 2 2 248.330 0.437 20 0 BCADLP C[N@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000558033438 398082103 /nfs/dbraw/zinc/08/21/03/398082103.db2.gz OCWGRVFZYYAXCP-ZDUSSCGKSA-N 2 2 248.330 0.437 20 0 BCADLP CCc1nn(C)cc1C[N@H+](C)C1CC([NH3+])C1 ZINC000384726010 398103658 /nfs/dbraw/zinc/10/36/58/398103658.db2.gz IHQYCYFMTGGOIW-UHFFFAOYSA-N 2 2 222.336 0.904 20 0 BCADLP CCc1nn(C)cc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000384726010 398103660 /nfs/dbraw/zinc/10/36/60/398103660.db2.gz IHQYCYFMTGGOIW-UHFFFAOYSA-N 2 2 222.336 0.904 20 0 BCADLP CCn1nccc1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000414932461 398111581 /nfs/dbraw/zinc/11/15/81/398111581.db2.gz RCUPVRIORXUBAZ-PWSUYJOCSA-N 2 2 222.336 0.991 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000336756587 173280810 /nfs/dbraw/zinc/28/08/10/173280810.db2.gz IRWNXXHSSSABTQ-ZJUUUORDSA-N 2 2 213.325 0.195 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000336756587 173280811 /nfs/dbraw/zinc/28/08/11/173280811.db2.gz IRWNXXHSSSABTQ-ZJUUUORDSA-N 2 2 213.325 0.195 20 0 BCADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1cc[nH+]cc1O ZINC000653347123 487557381 /nfs/dbraw/zinc/55/73/81/487557381.db2.gz SNLRVZAQXHFQLD-DTWKUNHWSA-N 2 2 235.287 0.665 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+]CC2(O)CCC2)C1 ZINC000393363489 487573276 /nfs/dbraw/zinc/57/32/76/487573276.db2.gz YUGPVQLVLKYMDL-NSHDSACASA-N 2 2 212.337 0.975 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+]CC2(O)CCC2)C1 ZINC000393363489 487573279 /nfs/dbraw/zinc/57/32/79/487573279.db2.gz YUGPVQLVLKYMDL-NSHDSACASA-N 2 2 212.337 0.975 20 0 BCADLP CC(C)OC[C@@H](O)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000049235165 167261636 /nfs/dbraw/zinc/26/16/36/167261636.db2.gz SNFZXWRMZBMQRP-RYUDHWBXSA-N 2 2 241.335 0.647 20 0 BCADLP C[N@@H+]1CCN(C(=O)CCC2CCC2)[C@H](C[NH3+])C1 ZINC000162571264 487589368 /nfs/dbraw/zinc/58/93/68/487589368.db2.gz HNTXSZNVLWMSMD-GFCCVEGCSA-N 2 2 239.363 0.668 20 0 BCADLP C[N@H+]1CCN(C(=O)CCC2CCC2)[C@H](C[NH3+])C1 ZINC000162571264 487589376 /nfs/dbraw/zinc/58/93/76/487589376.db2.gz HNTXSZNVLWMSMD-GFCCVEGCSA-N 2 2 239.363 0.668 20 0 BCADLP CCn1cc[nH+]c1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000082304028 487591478 /nfs/dbraw/zinc/59/14/78/487591478.db2.gz QWDCIBORUDPATQ-QWRGUYRKSA-N 2 2 220.320 0.554 20 0 BCADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@H]1C ZINC000653092777 487592654 /nfs/dbraw/zinc/59/26/54/487592654.db2.gz KZRXPHQWBOOWTR-MXWKQRLJSA-N 2 2 227.352 0.380 20 0 BCADLP C[C@@H]([NH3+])C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662245231 409537783 /nfs/dbraw/zinc/53/77/83/409537783.db2.gz JFOYTLAAOFQPPK-ZYHUDNBSSA-N 3 2 227.352 0.034 20 0 BCADLP CC(C)OC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662252831 409548126 /nfs/dbraw/zinc/54/81/26/409548126.db2.gz QKBCHFAVJIPZPF-CYBMUJFWSA-N 2 2 242.363 0.864 20 0 BCADLP CCC(CC)C[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662286386 409618437 /nfs/dbraw/zinc/61/84/37/409618437.db2.gz SZZZNABIXSHDOO-NSHDSACASA-N 2 2 218.341 0.037 20 0 BCADLP CCC(CC)C[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662286386 409618439 /nfs/dbraw/zinc/61/84/39/409618439.db2.gz SZZZNABIXSHDOO-NSHDSACASA-N 2 2 218.341 0.037 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1(C)CCCC1 ZINC000653088743 409618476 /nfs/dbraw/zinc/61/84/76/409618476.db2.gz JZXVXUIVXIDSSO-NSHDSACASA-N 2 2 241.379 0.962 20 0 BCADLP C[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653087941 409618630 /nfs/dbraw/zinc/61/86/30/409618630.db2.gz LIJCRIYHKNKEIY-SRVKXCTJSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@@H]1CCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653088864 409618704 /nfs/dbraw/zinc/61/87/04/409618704.db2.gz PNYPCLZWFFWNNL-NXEZZACHSA-N 2 2 213.325 0.276 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N(CC(F)F)C1CC1 ZINC000653087691 409618889 /nfs/dbraw/zinc/61/88/89/409618889.db2.gz CPLWUUSMOSIRRN-SECBINFHSA-N 2 2 249.305 0.522 20 0 BCADLP C[C@H]1CC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653087940 409619171 /nfs/dbraw/zinc/61/91/71/409619171.db2.gz LIJCRIYHKNKEIY-IJLUTSLNSA-N 2 2 241.379 0.960 20 0 BCADLP CN1CCC[C@H]([N@@H+]2CC3CC2(C[NH3+])C3)C1=O ZINC000662305524 409628033 /nfs/dbraw/zinc/62/80/33/409628033.db2.gz IFSLOFSXVWGUAH-YZRBJQDESA-N 2 2 223.320 0.030 20 0 BCADLP CN1CCC[C@H]([N@H+]2CC3CC2(C[NH3+])C3)C1=O ZINC000662305524 409628038 /nfs/dbraw/zinc/62/80/38/409628038.db2.gz IFSLOFSXVWGUAH-YZRBJQDESA-N 2 2 223.320 0.030 20 0 BCADLP CCC(C)(CC)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653090410 409631136 /nfs/dbraw/zinc/63/11/36/409631136.db2.gz OMRYLAAXJMLZPD-JTQLQIEISA-N 2 2 229.368 0.960 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000653090862 409639314 /nfs/dbraw/zinc/63/93/14/409639314.db2.gz ATLCRWCAYQOBPO-TUAOUCFPSA-N 2 2 239.363 0.524 20 0 BCADLP C[C@H]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653077568 409593830 /nfs/dbraw/zinc/59/38/30/409593830.db2.gz CUSRVLZRKOJHRZ-VHSXEESVSA-N 2 2 213.325 0.134 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1[C@H]1CCCN(C)C1=O ZINC000662278588 409597985 /nfs/dbraw/zinc/59/79/85/409597985.db2.gz ZPIKKUIVHJKQQY-GUBZILKMSA-N 2 2 211.309 0.029 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1[C@H]1CCCN(C)C1=O ZINC000662278588 409597998 /nfs/dbraw/zinc/59/79/98/409597998.db2.gz ZPIKKUIVHJKQQY-GUBZILKMSA-N 2 2 211.309 0.029 20 0 BCADLP CN(CC1CCCC1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653081568 409600766 /nfs/dbraw/zinc/60/07/66/409600766.db2.gz SXFLDVLSBFBWJW-GFCCVEGCSA-N 2 2 241.379 0.914 20 0 BCADLP CC[C@@H]1C[C@H](C)CN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653092991 409692437 /nfs/dbraw/zinc/69/24/37/409692437.db2.gz RTEDUPODRZMSLA-TUAOUCFPSA-N 2 2 241.379 0.912 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccsc1 ZINC000653091447 409669891 /nfs/dbraw/zinc/66/98/91/409669891.db2.gz VGUJPJAQZKZKGI-SECBINFHSA-N 2 2 227.333 0.966 20 0 BCADLP CCC1(NC(=O)[C@H]([NH3+])CC[NH+](C)C)CCC1 ZINC000653092010 409675685 /nfs/dbraw/zinc/67/56/85/409675685.db2.gz PCZLZENLHWAEPL-SNVBAGLBSA-N 2 2 227.352 0.714 20 0 BCADLP CC[C@]1(C)CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653099558 409741739 /nfs/dbraw/zinc/74/17/39/409741739.db2.gz UHMWJMLCECJPCF-DGCLKSJQSA-N 2 2 241.379 0.914 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000662586380 409772390 /nfs/dbraw/zinc/77/23/90/409772390.db2.gz TWGAVVZGONHHER-CMPLNLGQSA-N 2 2 234.303 0.368 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000662586380 409772396 /nfs/dbraw/zinc/77/23/96/409772396.db2.gz TWGAVVZGONHHER-CMPLNLGQSA-N 2 2 234.303 0.368 20 0 BCADLP CC1(C)CC[NH2+][C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000662664989 409823218 /nfs/dbraw/zinc/82/32/18/409823218.db2.gz YUYMATQMGBLDSI-SNVBAGLBSA-N 2 2 236.319 0.387 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc[nH]c1=O ZINC000653114472 409830174 /nfs/dbraw/zinc/83/01/74/409830174.db2.gz JGRGZGHKAXSKDC-QMMMGPOBSA-N 2 2 238.291 0.005 20 0 BCADLP Cc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)nc1 ZINC000653105259 409797050 /nfs/dbraw/zinc/79/70/50/409797050.db2.gz NZVPFHUNSVOUGX-SNVBAGLBSA-N 2 2 236.319 0.608 20 0 BCADLP COC(C)(C)CN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653104226 409798931 /nfs/dbraw/zinc/79/89/31/409798931.db2.gz CNGKXXIVBBJEFC-JTQLQIEISA-N 2 2 245.367 0.149 20 0 BCADLP CC(C)[NH2+]CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070645726 409800688 /nfs/dbraw/zinc/80/06/88/409800688.db2.gz QAHSQJYVXMSOCD-UHFFFAOYSA-N 2 2 210.281 0.366 20 0 BCADLP Cc1ccncc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653111144 409819717 /nfs/dbraw/zinc/81/97/17/409819717.db2.gz FVNIUBPBFQSZES-JTQLQIEISA-N 2 2 236.319 0.608 20 0 BCADLP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@@H]1C ZINC000653150444 409875463 /nfs/dbraw/zinc/87/54/63/409875463.db2.gz BKOKXSYFUJCQDB-GRYCIOLGSA-N 2 2 241.379 0.770 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H](C)C[NH3+] ZINC000662899289 409974958 /nfs/dbraw/zinc/97/49/58/409974958.db2.gz FYEGGLZCPMBSCO-RKDXNWHRSA-N 2 2 224.308 0.675 20 0 BCADLP C[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)c1[nH+]ccn1C ZINC000662933114 409980224 /nfs/dbraw/zinc/98/02/24/409980224.db2.gz GMMIMDMXTOFWKF-GUBZILKMSA-N 2 2 236.319 0.595 20 0 BCADLP C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)c1[nH+]ccn1C ZINC000662934236 409981246 /nfs/dbraw/zinc/98/12/46/409981246.db2.gz LVHSZVSWPCJHSJ-KYXWUPHJSA-N 2 2 234.303 0.348 20 0 BCADLP C[NH2+]CCCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662933119 409981377 /nfs/dbraw/zinc/98/13/77/409981377.db2.gz GNKNFJYEHRGZBC-VIFPVBQESA-N 2 2 224.308 0.597 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000389233167 409936747 /nfs/dbraw/zinc/93/67/47/409936747.db2.gz IZEJIYTVYTWLAA-NWDGAFQWSA-N 2 2 239.363 0.729 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000389233167 409936753 /nfs/dbraw/zinc/93/67/53/409936753.db2.gz IZEJIYTVYTWLAA-NWDGAFQWSA-N 2 2 239.363 0.729 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000662839125 409947936 /nfs/dbraw/zinc/94/79/36/409947936.db2.gz NHPJQLMRKCFWTQ-LBPRGKRZSA-N 2 2 236.319 0.758 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000662839125 409947943 /nfs/dbraw/zinc/94/79/43/409947943.db2.gz NHPJQLMRKCFWTQ-LBPRGKRZSA-N 2 2 236.319 0.758 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)CC)C1 ZINC000328142038 487612655 /nfs/dbraw/zinc/61/26/55/487612655.db2.gz BEPYYFPVBVGXNB-MNOVXSKESA-N 2 2 200.326 0.831 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)CC)C1 ZINC000328142038 487612658 /nfs/dbraw/zinc/61/26/58/487612658.db2.gz BEPYYFPVBVGXNB-MNOVXSKESA-N 2 2 200.326 0.831 20 0 BCADLP C[C@@H]1SCC[C@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653176260 410153232 /nfs/dbraw/zinc/15/32/32/410153232.db2.gz ODUSVDCMOYANFI-LPEHRKFASA-N 2 2 245.392 0.276 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000653168004 410134301 /nfs/dbraw/zinc/13/43/01/410134301.db2.gz LRJYFMYVULKLSB-KKOKHZNYSA-N 2 2 239.363 0.570 20 0 BCADLP CN(CC(F)(F)F)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653168180 410135777 /nfs/dbraw/zinc/13/57/77/410135777.db2.gz RUAZBSPRXUEHIK-SSDOTTSWSA-N 2 2 241.257 0.286 20 0 BCADLP C[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655412230 410215628 /nfs/dbraw/zinc/21/56/28/410215628.db2.gz OSOAUVLLDGENDY-JTQLQIEISA-N 2 2 236.319 0.171 20 0 BCADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[NH2+]C1 ZINC000655414025 410217763 /nfs/dbraw/zinc/21/77/63/410217763.db2.gz DHTFPXRCIYKLSB-WDEREUQCSA-N 2 2 248.330 0.266 20 0 BCADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CC[NH2+]C1 ZINC000655414024 410218649 /nfs/dbraw/zinc/21/86/49/410218649.db2.gz DHTFPXRCIYKLSB-QWRGUYRKSA-N 2 2 248.330 0.266 20 0 BCADLP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655415460 410219190 /nfs/dbraw/zinc/21/91/90/410219190.db2.gz NVXFCAOGUZMALW-VHSXEESVSA-N 2 2 236.319 0.251 20 0 BCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000650743448 410377722 /nfs/dbraw/zinc/37/77/22/410377722.db2.gz TWXRBXBYNGJGBM-CLPYTZEMSA-N 2 2 240.347 0.663 20 0 BCADLP Cn1cc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])nn1 ZINC000650759670 410407156 /nfs/dbraw/zinc/40/71/56/410407156.db2.gz NUMZUDTYYKIUGS-WDEREUQCSA-N 2 2 223.324 0.565 20 0 BCADLP CC[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000071561114 410459163 /nfs/dbraw/zinc/45/91/63/410459163.db2.gz NXZCDKXANSFFCB-GHMZBOCLSA-N 2 2 246.376 0.105 20 0 BCADLP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000071561114 410459171 /nfs/dbraw/zinc/45/91/71/410459171.db2.gz NXZCDKXANSFFCB-GHMZBOCLSA-N 2 2 246.376 0.105 20 0 BCADLP [NH3+]CCCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000169810868 410465373 /nfs/dbraw/zinc/46/53/73/410465373.db2.gz QVFGPPDMRGUQFD-JTQLQIEISA-N 2 2 236.319 0.855 20 0 BCADLP [NH3+]CCCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000169810867 410465514 /nfs/dbraw/zinc/46/55/14/410465514.db2.gz QVFGPPDMRGUQFD-SNVBAGLBSA-N 2 2 236.319 0.855 20 0 BCADLP CCN1C[C@H](C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1=O ZINC000652001534 410566014 /nfs/dbraw/zinc/56/60/14/410566014.db2.gz WVELYBGEXUSBFZ-GRYCIOLGSA-N 2 2 239.363 0.395 20 0 BCADLP CCN1C[C@H](C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1=O ZINC000652001534 410566018 /nfs/dbraw/zinc/56/60/18/410566018.db2.gz WVELYBGEXUSBFZ-GRYCIOLGSA-N 2 2 239.363 0.395 20 0 BCADLP CC[C@@H]([NH3+])CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655465343 410664656 /nfs/dbraw/zinc/66/46/56/410664656.db2.gz FKVTWRTZDNKYFH-NXEZZACHSA-N 2 2 236.319 0.299 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCOC[C@@H]1C ZINC000309256625 410667482 /nfs/dbraw/zinc/66/74/82/410667482.db2.gz OKPYHNRTIUNCJB-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCOC[C@@H]1C ZINC000309256625 410667489 /nfs/dbraw/zinc/66/74/89/410667489.db2.gz OKPYHNRTIUNCJB-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCOC[C@@H]1C ZINC000309256625 410667493 /nfs/dbraw/zinc/66/74/93/410667493.db2.gz OKPYHNRTIUNCJB-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCOC[C@@H]1C ZINC000309256625 410667497 /nfs/dbraw/zinc/66/74/97/410667497.db2.gz OKPYHNRTIUNCJB-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H](C)[NH3+] ZINC000655466733 410668506 /nfs/dbraw/zinc/66/85/06/410668506.db2.gz UCNMHBFADNRJDE-IVZWLZJFSA-N 2 2 236.319 0.297 20 0 BCADLP CC[C@@H]([NH2+]C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000662502038 487617837 /nfs/dbraw/zinc/61/78/37/487617837.db2.gz SDSANHLRNRZCRT-LLVKDONJSA-N 2 2 246.314 0.949 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](O)C1 ZINC000309277973 410700974 /nfs/dbraw/zinc/70/09/74/410700974.db2.gz SLULPYZMQDURQF-RYUDHWBXSA-N 2 2 230.352 0.144 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](O)C1 ZINC000309277973 410700978 /nfs/dbraw/zinc/70/09/78/410700978.db2.gz SLULPYZMQDURQF-RYUDHWBXSA-N 2 2 230.352 0.144 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](O)C1 ZINC000309277973 410700983 /nfs/dbraw/zinc/70/09/83/410700983.db2.gz SLULPYZMQDURQF-RYUDHWBXSA-N 2 2 230.352 0.144 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](O)C1 ZINC000309277973 410700987 /nfs/dbraw/zinc/70/09/87/410700987.db2.gz SLULPYZMQDURQF-RYUDHWBXSA-N 2 2 230.352 0.144 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000309297931 410745545 /nfs/dbraw/zinc/74/55/45/410745545.db2.gz SDFJWOACEUXQIS-GFCCVEGCSA-N 3 2 211.353 0.799 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000309297931 410745550 /nfs/dbraw/zinc/74/55/50/410745550.db2.gz SDFJWOACEUXQIS-GFCCVEGCSA-N 3 2 211.353 0.799 20 0 BCADLP O=C(NCc1c[nH+]c[nH]1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655469394 410682369 /nfs/dbraw/zinc/68/23/69/410682369.db2.gz VDXPDVSSFCFRSF-PWSUYJOCSA-N 2 2 234.303 0.416 20 0 BCADLP O=C(NCc1c[nH]c[nH+]1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655469394 410682373 /nfs/dbraw/zinc/68/23/73/410682373.db2.gz VDXPDVSSFCFRSF-PWSUYJOCSA-N 2 2 234.303 0.416 20 0 BCADLP O=C(NCc1c[nH+]c[nH]1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655469393 410682460 /nfs/dbraw/zinc/68/24/60/410682460.db2.gz VDXPDVSSFCFRSF-JQWIXIFHSA-N 2 2 234.303 0.416 20 0 BCADLP O=C(NCc1c[nH]c[nH+]1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655469393 410682464 /nfs/dbraw/zinc/68/24/64/410682464.db2.gz VDXPDVSSFCFRSF-JQWIXIFHSA-N 2 2 234.303 0.416 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C)(O)CC1 ZINC000309293198 410745762 /nfs/dbraw/zinc/74/57/62/410745762.db2.gz WIHCAMZBKUWDSD-NSHDSACASA-N 2 2 230.352 0.146 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(O)CC1 ZINC000309293198 410745766 /nfs/dbraw/zinc/74/57/66/410745766.db2.gz WIHCAMZBKUWDSD-NSHDSACASA-N 2 2 230.352 0.146 20 0 BCADLP CC[C@@H]1C[N@H+](Cc2cnnn2C)CC[C@H]1[NH3+] ZINC000394864855 410829573 /nfs/dbraw/zinc/82/95/73/410829573.db2.gz CGUJGJHWHQJBPU-MWLCHTKSSA-N 2 2 223.324 0.374 20 0 BCADLP CC[C@@H]1C[N@@H+](Cc2cnnn2C)CC[C@H]1[NH3+] ZINC000394864855 410829578 /nfs/dbraw/zinc/82/95/78/410829578.db2.gz CGUJGJHWHQJBPU-MWLCHTKSSA-N 2 2 223.324 0.374 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251847196 167054086 /nfs/dbraw/zinc/05/40/86/167054086.db2.gz RBTWPSQATNWGQD-NXEZZACHSA-N 2 2 213.325 0.180 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251847196 167054089 /nfs/dbraw/zinc/05/40/89/167054089.db2.gz RBTWPSQATNWGQD-NXEZZACHSA-N 2 2 213.325 0.180 20 0 BCADLP CC(C)[NH2+]C1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000116277133 167094045 /nfs/dbraw/zinc/09/40/45/167094045.db2.gz GMNXQEUHNOJDTN-GFCCVEGCSA-N 2 2 239.363 0.680 20 0 BCADLP CC(C)[NH2+]C1CC[NH+]([C@@H]2COC[C@@H]2O)CC1 ZINC000336648335 167095863 /nfs/dbraw/zinc/09/58/63/167095863.db2.gz CLGIVPONVUDJDC-NEPJUHHUSA-N 2 2 228.336 0.209 20 0 BCADLP CC(C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000043501045 167102744 /nfs/dbraw/zinc/10/27/44/167102744.db2.gz FSIOAORBDJVHPM-SNVBAGLBSA-N 2 2 213.325 0.324 20 0 BCADLP CC(C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000043501045 167102747 /nfs/dbraw/zinc/10/27/47/167102747.db2.gz FSIOAORBDJVHPM-SNVBAGLBSA-N 2 2 213.325 0.324 20 0 BCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224217062 167372423 /nfs/dbraw/zinc/37/24/23/167372423.db2.gz LEWMPFMFRGLTAL-MNOVXSKESA-N 2 2 227.352 0.428 20 0 BCADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224217062 167372428 /nfs/dbraw/zinc/37/24/28/167372428.db2.gz LEWMPFMFRGLTAL-MNOVXSKESA-N 2 2 227.352 0.428 20 0 BCADLP CC(C)[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000020361564 167380265 /nfs/dbraw/zinc/38/02/65/167380265.db2.gz HJRXYLJTLGRHLR-LLVKDONJSA-N 2 2 227.352 0.395 20 0 BCADLP CC(C)[C@@H](C[NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000044805313 167395490 /nfs/dbraw/zinc/39/54/90/167395490.db2.gz PNQSQAFRJBUQSO-SNVBAGLBSA-N 2 2 224.308 0.230 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CCF)C[N@@H+]1C1CC1 ZINC000652018502 410991021 /nfs/dbraw/zinc/99/10/21/410991021.db2.gz VELLQCXNAFLQBY-GMTAPVOTSA-N 2 2 230.327 0.922 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CCF)C[N@H+]1C1CC1 ZINC000652018502 410991026 /nfs/dbraw/zinc/99/10/26/410991026.db2.gz VELLQCXNAFLQBY-GMTAPVOTSA-N 2 2 230.327 0.922 20 0 BCADLP CC[NH+](CC)CCC[NH+]1CCC(O)(CO)CC1 ZINC000661619299 411061437 /nfs/dbraw/zinc/06/14/37/411061437.db2.gz LKNADTZRABPRTL-UHFFFAOYSA-N 2 2 244.379 0.538 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C2COCCOC2)CC[N@@H+]1C ZINC000309327291 411028472 /nfs/dbraw/zinc/02/84/72/411028472.db2.gz RQOGEZNKODRGHT-GHMZBOCLSA-N 2 2 228.336 0.474 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C2COCCOC2)CC[N@H+]1C ZINC000309327291 411028478 /nfs/dbraw/zinc/02/84/78/411028478.db2.gz RQOGEZNKODRGHT-GHMZBOCLSA-N 2 2 228.336 0.474 20 0 BCADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1C[NH3+] ZINC000631841329 411161243 /nfs/dbraw/zinc/16/12/43/411161243.db2.gz JBABJIYDPBDLBV-RKDXNWHRSA-N 2 2 238.291 0.140 20 0 BCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1C[NH3+] ZINC000631841329 411161244 /nfs/dbraw/zinc/16/12/44/411161244.db2.gz JBABJIYDPBDLBV-RKDXNWHRSA-N 2 2 238.291 0.140 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000043617015 411123768 /nfs/dbraw/zinc/12/37/68/411123768.db2.gz FCCCBRFJQYBPNN-RYUDHWBXSA-N 2 2 241.379 0.914 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000043617015 411123769 /nfs/dbraw/zinc/12/37/69/411123769.db2.gz FCCCBRFJQYBPNN-RYUDHWBXSA-N 2 2 241.379 0.914 20 0 BCADLP Cn1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)n1 ZINC000123803363 411168240 /nfs/dbraw/zinc/16/82/40/411168240.db2.gz ANIFIVZUAAWUMY-JTQLQIEISA-N 2 2 208.309 0.591 20 0 BCADLP Cn1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)n1 ZINC000123803363 411168244 /nfs/dbraw/zinc/16/82/44/411168244.db2.gz ANIFIVZUAAWUMY-JTQLQIEISA-N 2 2 208.309 0.591 20 0 BCADLP CC(C)(CO)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000643475081 411169800 /nfs/dbraw/zinc/16/98/00/411169800.db2.gz ZFWQIOVRKIRWOG-RYUDHWBXSA-N 2 2 242.363 0.362 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCc2cccnc2)CCO1 ZINC000123844330 411175633 /nfs/dbraw/zinc/17/56/33/411175633.db2.gz ZPPSQLXPJRPSFJ-AAEUAGOBSA-N 2 2 235.331 0.672 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCc2cccnc2)CCO1 ZINC000123844330 411175636 /nfs/dbraw/zinc/17/56/36/411175636.db2.gz ZPPSQLXPJRPSFJ-AAEUAGOBSA-N 2 2 235.331 0.672 20 0 BCADLP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC000656197731 411203306 /nfs/dbraw/zinc/20/33/06/411203306.db2.gz FHSIHYLSFOYJMH-DTWKUNHWSA-N 2 2 236.323 0.368 20 0 BCADLP Cc1cc(C[NH2+]CC2([NH3+])CCC2)nn1C ZINC000652340337 411204521 /nfs/dbraw/zinc/20/45/21/411204521.db2.gz PRNPASRQTVJVFA-UHFFFAOYSA-N 2 2 208.309 0.700 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000652335983 411204563 /nfs/dbraw/zinc/20/45/63/411204563.db2.gz WYZOQZILYUAIFC-VXGBXAGGSA-N 3 2 231.384 0.262 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000652335983 411204565 /nfs/dbraw/zinc/20/45/65/411204565.db2.gz WYZOQZILYUAIFC-VXGBXAGGSA-N 3 2 231.384 0.262 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000652339742 411205735 /nfs/dbraw/zinc/20/57/35/411205735.db2.gz KNUYJHUFYNTWCP-MNOVXSKESA-N 2 2 234.347 0.998 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000652339742 411205738 /nfs/dbraw/zinc/20/57/38/411205738.db2.gz KNUYJHUFYNTWCP-MNOVXSKESA-N 2 2 234.347 0.998 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@](C)(O)C[NH2+]C)CC[C@@H]1[NH3+] ZINC000652340730 411206024 /nfs/dbraw/zinc/20/60/24/411206024.db2.gz HPQVTTLCBANUNU-GRYCIOLGSA-N 3 2 229.368 0.016 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@](C)(O)C[NH2+]C)CC[C@@H]1[NH3+] ZINC000652340730 411206026 /nfs/dbraw/zinc/20/60/26/411206026.db2.gz HPQVTTLCBANUNU-GRYCIOLGSA-N 3 2 229.368 0.016 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@](C)(O)C[NH2+]C)CC[C@H]1[NH3+] ZINC000652340731 411206033 /nfs/dbraw/zinc/20/60/33/411206033.db2.gz HPQVTTLCBANUNU-IJLUTSLNSA-N 3 2 229.368 0.016 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@](C)(O)C[NH2+]C)CC[C@H]1[NH3+] ZINC000652340731 411206035 /nfs/dbraw/zinc/20/60/35/411206035.db2.gz HPQVTTLCBANUNU-IJLUTSLNSA-N 3 2 229.368 0.016 20 0 BCADLP COCC[NH2+]C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000652344768 411208110 /nfs/dbraw/zinc/20/81/10/411208110.db2.gz SEUOLKZPRXFOOJ-GFCCVEGCSA-N 3 2 241.379 0.296 20 0 BCADLP O=C1C[C@H](C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CN1 ZINC000660092597 411228303 /nfs/dbraw/zinc/22/83/03/411228303.db2.gz ATLXTEOGWCHGTM-JTQLQIEISA-N 2 2 248.330 0.725 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@H+](C)CCC[NH3+] ZINC000049307556 411230596 /nfs/dbraw/zinc/23/05/96/411230596.db2.gz NJLDCSGSHQEFMT-JTQLQIEISA-N 2 2 215.341 0.428 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000049307556 411230598 /nfs/dbraw/zinc/23/05/98/411230598.db2.gz NJLDCSGSHQEFMT-JTQLQIEISA-N 2 2 215.341 0.428 20 0 BCADLP Cc1noc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000310309908 411232897 /nfs/dbraw/zinc/23/28/97/411232897.db2.gz DNHFBRFAQWMWOZ-JQWIXIFHSA-N 2 2 236.319 0.939 20 0 BCADLP Cc1noc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000310309908 411232900 /nfs/dbraw/zinc/23/29/00/411232900.db2.gz DNHFBRFAQWMWOZ-JQWIXIFHSA-N 2 2 236.319 0.939 20 0 BCADLP CO[C@](C)(CO)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000655786760 411234285 /nfs/dbraw/zinc/23/42/85/411234285.db2.gz SCMFHZZDTNRULR-DRZSPHRISA-N 2 2 242.363 0.456 20 0 BCADLP CO[C@](C)(CO)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000655786760 411234286 /nfs/dbraw/zinc/23/42/86/411234286.db2.gz SCMFHZZDTNRULR-DRZSPHRISA-N 2 2 242.363 0.456 20 0 BCADLP CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423173264 411236198 /nfs/dbraw/zinc/23/61/98/411236198.db2.gz XTBHJPYIXZODMC-LOWDOPEQSA-N 2 2 242.363 0.911 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000070645767 411271516 /nfs/dbraw/zinc/27/15/16/411271516.db2.gz XYUVVIXNVDFXTC-NSHDSACASA-N 2 2 222.292 0.510 20 0 BCADLP C[C@@H]([NH3+])CCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070645737 411271675 /nfs/dbraw/zinc/27/16/75/411271675.db2.gz SMJKTUOHCIDCGH-MRVPVSSYSA-N 2 2 210.281 0.496 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C1([NH3+])CCCC1 ZINC000070645714 411271722 /nfs/dbraw/zinc/27/17/22/411271722.db2.gz GURDBNGRPCPGIB-UHFFFAOYSA-N 2 2 222.292 0.640 20 0 BCADLP CCC[C@@](C)([NH3+])C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070645750 411271793 /nfs/dbraw/zinc/27/17/93/411271793.db2.gz JWGVMHOGCIKBKV-LLVKDONJSA-N 2 2 224.308 0.886 20 0 BCADLP C(C[NH+]1CCOCC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000649419283 411284650 /nfs/dbraw/zinc/28/46/50/411284650.db2.gz KVWNODAVILRBIU-CHWSQXEVSA-N 2 2 239.363 0.002 20 0 BCADLP C[N@@H+](CC(=O)N1CCCC1)C[C@H]1CC[NH2+]C1 ZINC000051889646 411285702 /nfs/dbraw/zinc/28/57/02/411285702.db2.gz SAIIMEYXDQJUDS-NSHDSACASA-N 2 2 225.336 0.150 20 0 BCADLP C[N@H+](CC(=O)N1CCCC1)C[C@H]1CC[NH2+]C1 ZINC000051889646 411285705 /nfs/dbraw/zinc/28/57/05/411285705.db2.gz SAIIMEYXDQJUDS-NSHDSACASA-N 2 2 225.336 0.150 20 0 BCADLP C[C@@H](CCO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655723921 411297270 /nfs/dbraw/zinc/29/72/70/411297270.db2.gz JIVOZAWVXSVWDR-AAEUAGOBSA-N 2 2 242.363 0.600 20 0 BCADLP CC[C@@H]1C[N@H+](Cc2cc[nH]n2)CC[C@H]1[NH3+] ZINC000309415178 411306904 /nfs/dbraw/zinc/30/69/04/411306904.db2.gz JCMKOPKFEFAWAC-MWLCHTKSSA-N 2 2 208.309 0.969 20 0 BCADLP CC[C@@H]1C[N@@H+](Cc2cc[nH]n2)CC[C@H]1[NH3+] ZINC000309415178 411306906 /nfs/dbraw/zinc/30/69/06/411306906.db2.gz JCMKOPKFEFAWAC-MWLCHTKSSA-N 2 2 208.309 0.969 20 0 BCADLP Cc1cc(N2CC3CC2(C[NH3+])C3)nc[nH+]1 ZINC000656610539 411308635 /nfs/dbraw/zinc/30/86/35/411308635.db2.gz DUJAXARCCWXCGG-UHFFFAOYSA-N 2 2 204.277 0.713 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000658258350 411317856 /nfs/dbraw/zinc/31/78/56/411317856.db2.gz IRDYRLGXCLTELP-JBLDHEPKSA-N 2 2 237.347 0.337 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000658258350 411317858 /nfs/dbraw/zinc/31/78/58/411317858.db2.gz IRDYRLGXCLTELP-JBLDHEPKSA-N 2 2 237.347 0.337 20 0 BCADLP CN(C)CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655768482 411250768 /nfs/dbraw/zinc/25/07/68/411250768.db2.gz FSVFBIZQYVPQRM-ZDUSSCGKSA-N 2 2 241.379 0.391 20 0 BCADLP Cc1cc(NC(=O)N2CC3CC2(C[NH3+])C3)cc[nH+]1 ZINC000659005018 411366475 /nfs/dbraw/zinc/36/64/75/411366475.db2.gz HGOMTSYUPUUYCG-UHFFFAOYSA-N 2 2 246.314 0.767 20 0 BCADLP Cn1cc(C[NH2+]CC2([NH3+])CCCC2)cn1 ZINC000656788482 411366922 /nfs/dbraw/zinc/36/69/22/411366922.db2.gz RECJHFAHSJQKNM-UHFFFAOYSA-N 2 2 208.309 0.781 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)C[C@@H]1COCCO1 ZINC000656791360 411370942 /nfs/dbraw/zinc/37/09/42/411370942.db2.gz ZHLLBIRZGDZAKU-VXGBXAGGSA-N 2 2 230.352 0.707 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)C[C@@H]1COCCO1 ZINC000656791360 411370947 /nfs/dbraw/zinc/37/09/47/411370947.db2.gz ZHLLBIRZGDZAKU-VXGBXAGGSA-N 2 2 230.352 0.707 20 0 BCADLP COc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)on1 ZINC000659849021 411340902 /nfs/dbraw/zinc/34/09/02/411340902.db2.gz DRTBNNSWOBUPIY-RKDXNWHRSA-N 2 2 223.276 0.334 20 0 BCADLP C[C@@H]1C[C@H]([N@@H+]2CCO[C@@H](C[NH+](C)C)C2)CCO1 ZINC000659901438 411378227 /nfs/dbraw/zinc/37/82/27/411378227.db2.gz VOBCUHWTRMCVLJ-UPJWGTAASA-N 2 2 242.363 0.816 20 0 BCADLP C[C@@H]1C[C@H]([N@H+]2CCO[C@@H](C[NH+](C)C)C2)CCO1 ZINC000659901438 411378230 /nfs/dbraw/zinc/37/82/30/411378230.db2.gz VOBCUHWTRMCVLJ-UPJWGTAASA-N 2 2 242.363 0.816 20 0 BCADLP CC1CCN(C(=O)C[N@H+](C)C2CC([NH3+])C2)CC1 ZINC000336233506 168171251 /nfs/dbraw/zinc/17/12/51/168171251.db2.gz VXSOETTZGAOVFI-UHFFFAOYSA-N 2 2 239.363 0.666 20 0 BCADLP CC1CCN(C(=O)C[N@@H+](C)C2CC([NH3+])C2)CC1 ZINC000336233506 168171254 /nfs/dbraw/zinc/17/12/54/168171254.db2.gz VXSOETTZGAOVFI-UHFFFAOYSA-N 2 2 239.363 0.666 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000341890004 168186771 /nfs/dbraw/zinc/18/67/71/168186771.db2.gz FRIPZFNGCMDEFG-VXGBXAGGSA-N 2 2 241.379 0.960 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CC(=O)NC2CC2)n1C ZINC000657306175 411457568 /nfs/dbraw/zinc/45/75/68/411457568.db2.gz YXYMAHKHWDVAAE-UHFFFAOYSA-N 2 2 222.292 0.097 20 0 BCADLP [NH3+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000653047592 411403860 /nfs/dbraw/zinc/40/38/60/411403860.db2.gz ZVMIACOPGLJOFU-JTQLQIEISA-N 2 2 248.330 0.322 20 0 BCADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccccc1 ZINC000653056602 411408095 /nfs/dbraw/zinc/40/80/95/411408095.db2.gz PPHKWBZVESKYBY-LBPRGKRZSA-N 2 2 235.331 0.928 20 0 BCADLP C[C@@H]1C[C@H](C)CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653056464 411408443 /nfs/dbraw/zinc/40/84/43/411408443.db2.gz HTJWPMXHOQDLMV-GRYCIOLGSA-N 2 2 241.379 0.770 20 0 BCADLP Cc1cnc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)s1 ZINC000653057903 411409530 /nfs/dbraw/zinc/40/95/30/411409530.db2.gz VPIZFMBDGGOYES-MRVPVSSYSA-N 2 2 242.348 0.669 20 0 BCADLP Cc1cccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653065881 411411724 /nfs/dbraw/zinc/41/17/24/411411724.db2.gz XGEHZRFZVZNKNE-ZDUSSCGKSA-N 2 2 249.358 0.890 20 0 BCADLP C[C@H](C1CC1)N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653070570 411412570 /nfs/dbraw/zinc/41/25/70/411412570.db2.gz AZHYQPHLYAUQRC-MWLCHTKSSA-N 2 2 227.352 0.522 20 0 BCADLP C[NH2+]C[C@H](C)NC(=O)NCCCn1cc[nH+]c1 ZINC000659424425 411412943 /nfs/dbraw/zinc/41/29/43/411412943.db2.gz VKZRRTVCYBDHFY-JTQLQIEISA-N 2 2 239.323 0.180 20 0 BCADLP CCn1cc[nH+]c1CNC(=O)N[C@@H](C)C[NH2+]C ZINC000659498924 411422021 /nfs/dbraw/zinc/42/20/21/411422021.db2.gz CDNOIHYYDOKIIZ-VIFPVBQESA-N 2 2 239.323 0.310 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]CC2(CO)CC2)n1C ZINC000122338150 411426923 /nfs/dbraw/zinc/42/69/23/411426923.db2.gz XWPKPAHBEOSWCE-UHFFFAOYSA-N 2 2 238.335 0.348 20 0 BCADLP C[C@@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)[C@H](C)[NH3+] ZINC000659551542 411434924 /nfs/dbraw/zinc/43/49/24/411434924.db2.gz VEFYIUKGAHYZTN-JGVFFNPUSA-N 2 2 225.296 0.287 20 0 BCADLP C[C@@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)[C@H](C)[NH3+] ZINC000659551542 411434926 /nfs/dbraw/zinc/43/49/26/411434926.db2.gz VEFYIUKGAHYZTN-JGVFFNPUSA-N 2 2 225.296 0.287 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H](F)C1 ZINC000653609681 411438839 /nfs/dbraw/zinc/43/88/39/411438839.db2.gz ZAMPMBYNTDFHDT-SDDRHHMPSA-N 2 2 232.343 0.979 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H](F)C1 ZINC000653609681 411438842 /nfs/dbraw/zinc/43/88/42/411438842.db2.gz ZAMPMBYNTDFHDT-SDDRHHMPSA-N 2 2 232.343 0.979 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000653609681 411438845 /nfs/dbraw/zinc/43/88/45/411438845.db2.gz ZAMPMBYNTDFHDT-SDDRHHMPSA-N 2 2 232.343 0.979 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000653609681 411438847 /nfs/dbraw/zinc/43/88/47/411438847.db2.gz ZAMPMBYNTDFHDT-SDDRHHMPSA-N 2 2 232.343 0.979 20 0 BCADLP Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000120766829 411441765 /nfs/dbraw/zinc/44/17/65/411441765.db2.gz XDCXAJUEPPEEGB-ZDUSSCGKSA-N 2 2 247.342 0.710 20 0 BCADLP Cc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000120766829 411441769 /nfs/dbraw/zinc/44/17/69/411441769.db2.gz XDCXAJUEPPEEGB-ZDUSSCGKSA-N 2 2 247.342 0.710 20 0 BCADLP CN(Cc1ccccc1)C(=O)C[N@H+](C)CCC[NH3+] ZINC000123306038 411441736 /nfs/dbraw/zinc/44/17/36/411441736.db2.gz XIPVFDZWSQCNTR-UHFFFAOYSA-N 2 2 249.358 0.926 20 0 BCADLP CN(Cc1ccccc1)C(=O)C[N@@H+](C)CCC[NH3+] ZINC000123306038 411441741 /nfs/dbraw/zinc/44/17/41/411441741.db2.gz XIPVFDZWSQCNTR-UHFFFAOYSA-N 2 2 249.358 0.926 20 0 BCADLP C[NH2+]C[C@@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000659635571 411444043 /nfs/dbraw/zinc/44/40/43/411444043.db2.gz JQYMLKRCDXMIFN-MRVPVSSYSA-N 2 2 225.296 0.159 20 0 BCADLP C[NH2+]C[C@@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000659635571 411444046 /nfs/dbraw/zinc/44/40/46/411444046.db2.gz JQYMLKRCDXMIFN-MRVPVSSYSA-N 2 2 225.296 0.159 20 0 BCADLP C[C@H](C[NH3+])N(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659628354 411444571 /nfs/dbraw/zinc/44/45/71/411444571.db2.gz OXAPWEBWFZYHQX-BDAKNGLRSA-N 2 2 239.323 0.470 20 0 BCADLP CCCNC(=O)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657293310 411450169 /nfs/dbraw/zinc/45/01/69/411450169.db2.gz ZKSOVDNDMHXUBG-UHFFFAOYSA-N 2 2 236.319 0.445 20 0 BCADLP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc(C)n1 ZINC000659849699 411476208 /nfs/dbraw/zinc/47/62/08/411476208.db2.gz JDJVXVPQMWJAGY-TXEJJXNPSA-N 2 2 232.331 0.745 20 0 BCADLP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc(C)n1 ZINC000659849699 411476209 /nfs/dbraw/zinc/47/62/09/411476209.db2.gz JDJVXVPQMWJAGY-TXEJJXNPSA-N 2 2 232.331 0.745 20 0 BCADLP O=C(NCCc1[nH]cc[nH+]1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407289036 411477182 /nfs/dbraw/zinc/47/71/82/411477182.db2.gz HOYZOKFQSLNOIH-GHMZBOCLSA-N 2 2 248.330 0.599 20 0 BCADLP O=C(NCc1c[nH+]c[nH]1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407307639 411479215 /nfs/dbraw/zinc/47/92/15/411479215.db2.gz PEFMPCPMQRUXAN-QWRGUYRKSA-N 2 2 234.303 0.557 20 0 BCADLP O=C(NCc1c[nH]c[nH+]1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407307639 411479216 /nfs/dbraw/zinc/47/92/16/411479216.db2.gz PEFMPCPMQRUXAN-QWRGUYRKSA-N 2 2 234.303 0.557 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407311556 411479227 /nfs/dbraw/zinc/47/92/27/411479227.db2.gz QWBFKEPOBVGSRQ-QWRGUYRKSA-N 2 2 248.330 0.567 20 0 BCADLP C[C@H]1CC[NH2+][C@@H](C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000127290754 411482921 /nfs/dbraw/zinc/48/29/21/411482921.db2.gz GQSDVUVDESBYBK-VHSXEESVSA-N 2 2 236.319 0.756 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000127290098 411483052 /nfs/dbraw/zinc/48/30/52/411483052.db2.gz GQSDVUVDESBYBK-ZJUUUORDSA-N 2 2 236.319 0.756 20 0 BCADLP C[C@H](CCO)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657369158 411483645 /nfs/dbraw/zinc/48/36/45/411483645.db2.gz XZRAXRRWSXZAQR-SECBINFHSA-N 2 2 209.293 0.690 20 0 BCADLP CN1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)CCC1=O ZINC000657371152 411484463 /nfs/dbraw/zinc/48/44/63/411484463.db2.gz OOSDQSYDKCLCGZ-JTQLQIEISA-N 2 2 248.330 0.540 20 0 BCADLP CC(C)[C@H](C(=O)NC1C[NH+](C(C)C)C1)[NH+](C)C ZINC000655052273 411486091 /nfs/dbraw/zinc/48/60/91/411486091.db2.gz HSRDDFUDKZNZBV-GFCCVEGCSA-N 2 2 241.379 0.781 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CC2(CO)CC2)n1C ZINC000657384506 411489139 /nfs/dbraw/zinc/48/91/39/411489139.db2.gz TUJQGNAJEBBWEV-UHFFFAOYSA-N 2 2 209.293 0.591 20 0 BCADLP CN1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1=O ZINC000657386863 411489806 /nfs/dbraw/zinc/48/98/06/411489806.db2.gz JBYFZYVWVGCVEI-LLVKDONJSA-N 2 2 248.330 0.540 20 0 BCADLP CCc1ncc(C[NH2+]C[C@H]2C[NH2+]CCO2)s1 ZINC000415094359 411490785 /nfs/dbraw/zinc/49/07/85/411490785.db2.gz JVOZUDANJHOXRB-SECBINFHSA-N 2 2 241.360 0.784 20 0 BCADLP Oc1cccc(C[NH2+]C[C@H]2C[NH2+]CCO2)c1 ZINC000415094599 411491402 /nfs/dbraw/zinc/49/14/02/411491402.db2.gz KLBOJQBKZZLCNK-GFCCVEGCSA-N 2 2 222.288 0.470 20 0 BCADLP CCN(C)C(=O)[C@@H](C)[NH2+]C[C@H]([NH3+])CC(C)C ZINC000415116936 411492418 /nfs/dbraw/zinc/49/24/18/411492418.db2.gz ZZHZAWRBIKCVTR-GHMZBOCLSA-N 2 2 229.368 0.816 20 0 BCADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCc3cn[nH]n3)C2)[nH]1 ZINC000660078249 411534358 /nfs/dbraw/zinc/53/43/58/411534358.db2.gz SLOMUVPIDFLLEG-SNVBAGLBSA-N 2 2 246.318 0.950 20 0 BCADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCc3cn[nH]n3)C2)[nH]1 ZINC000660078249 411534361 /nfs/dbraw/zinc/53/43/61/411534361.db2.gz SLOMUVPIDFLLEG-SNVBAGLBSA-N 2 2 246.318 0.950 20 0 BCADLP CC[N@H+](CCO)CCNCc1[nH]cc(C)[nH+]1 ZINC000657436640 411508767 /nfs/dbraw/zinc/50/87/67/411508767.db2.gz FEAWUURQSSBCQW-UHFFFAOYSA-N 2 2 226.324 0.122 20 0 BCADLP CC[N@@H+](CCO)CCNCc1[nH]cc(C)[nH+]1 ZINC000657436640 411508770 /nfs/dbraw/zinc/50/87/70/411508770.db2.gz FEAWUURQSSBCQW-UHFFFAOYSA-N 2 2 226.324 0.122 20 0 BCADLP CO[C@@H](C)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657445685 411512520 /nfs/dbraw/zinc/51/25/20/411512520.db2.gz IOUXPRCPCHIMJB-VIFPVBQESA-N 2 2 209.293 0.954 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CC[C@@H](O)C2)n1C ZINC000657445810 411512968 /nfs/dbraw/zinc/51/29/68/411512968.db2.gz LBYHDNOHAWNZDB-CMPLNLGQSA-N 2 2 223.320 0.979 20 0 BCADLP CC[C@H](O)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657472724 411523343 /nfs/dbraw/zinc/52/33/43/411523343.db2.gz YPJBJVMPDYEIEC-JTQLQIEISA-N 2 2 209.293 0.690 20 0 BCADLP O[C@@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657488687 411532079 /nfs/dbraw/zinc/53/20/79/411532079.db2.gz GJAOXJWTQKTARR-GHMZBOCLSA-N 2 2 221.304 0.832 20 0 BCADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccn(C)n2)C1 ZINC000112341473 170007794 /nfs/dbraw/zinc/00/77/94/170007794.db2.gz ZRJHVSZKXKFYRL-NSHDSACASA-N 2 2 222.336 0.852 20 0 BCADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccn(C)n2)C1 ZINC000112341473 170007795 /nfs/dbraw/zinc/00/77/95/170007795.db2.gz ZRJHVSZKXKFYRL-NSHDSACASA-N 2 2 222.336 0.852 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC000336886083 170011562 /nfs/dbraw/zinc/01/15/62/170011562.db2.gz BLUAPQRHQCZAGJ-CYBMUJFWSA-N 2 2 247.342 0.969 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC000336886083 170011563 /nfs/dbraw/zinc/01/15/63/170011563.db2.gz BLUAPQRHQCZAGJ-CYBMUJFWSA-N 2 2 247.342 0.969 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH+](C)CCC[NH3+])[C@@H](C)C1 ZINC000336741144 170019840 /nfs/dbraw/zinc/01/98/40/170019840.db2.gz MYNRJZUWDGZZLX-RYUDHWBXSA-N 3 2 213.369 0.997 20 0 BCADLP CC[N@H+]1CC[C@H]([NH+](C)CCC[NH3+])[C@@H](C)C1 ZINC000336741144 170019842 /nfs/dbraw/zinc/01/98/42/170019842.db2.gz MYNRJZUWDGZZLX-RYUDHWBXSA-N 3 2 213.369 0.997 20 0 BCADLP CC[NH+]1CC[C@H]([N@H+](C)CCC[NH3+])[C@@H](C)C1 ZINC000336741144 170019843 /nfs/dbraw/zinc/01/98/43/170019843.db2.gz MYNRJZUWDGZZLX-RYUDHWBXSA-N 3 2 213.369 0.997 20 0 BCADLP CC[NH+]1CC[C@H]([N@@H+](C)CCC[NH3+])[C@@H](C)C1 ZINC000336741144 170019844 /nfs/dbraw/zinc/01/98/44/170019844.db2.gz MYNRJZUWDGZZLX-RYUDHWBXSA-N 3 2 213.369 0.997 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2ccn(C)n2)C1 ZINC000354680547 170030813 /nfs/dbraw/zinc/03/08/13/170030813.db2.gz SINRFOQUZKXQPZ-YPMHNXCESA-N 2 2 236.363 0.892 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2ccn(C)n2)C1 ZINC000354680547 170030814 /nfs/dbraw/zinc/03/08/14/170030814.db2.gz SINRFOQUZKXQPZ-YPMHNXCESA-N 2 2 236.363 0.892 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCCO)C1 ZINC000336669163 170031598 /nfs/dbraw/zinc/03/15/98/170031598.db2.gz XGSBUMAYMBNEFI-GHMZBOCLSA-N 2 2 200.326 0.689 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCCO)C1 ZINC000336669163 170031600 /nfs/dbraw/zinc/03/16/00/170031600.db2.gz XGSBUMAYMBNEFI-GHMZBOCLSA-N 2 2 200.326 0.689 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCc2ccn(C)n2)C1 ZINC000354680542 170031925 /nfs/dbraw/zinc/03/19/25/170031925.db2.gz SINRFOQUZKXQPZ-DGCLKSJQSA-N 2 2 236.363 0.892 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCc2ccn(C)n2)C1 ZINC000354680542 170031926 /nfs/dbraw/zinc/03/19/26/170031926.db2.gz SINRFOQUZKXQPZ-DGCLKSJQSA-N 2 2 236.363 0.892 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CC(C)(C)OCCO)[C@@H](C)C1 ZINC000352495005 170035871 /nfs/dbraw/zinc/03/58/71/170035871.db2.gz HVEQGHHHEYMQPS-RYUDHWBXSA-N 2 2 244.379 0.704 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]CC(C)(C)OCCO)[C@@H](C)C1 ZINC000352495005 170035873 /nfs/dbraw/zinc/03/58/73/170035873.db2.gz HVEQGHHHEYMQPS-RYUDHWBXSA-N 2 2 244.379 0.704 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+][C@H](CO)CCOC)[C@@H](C)C1 ZINC000309919491 170036462 /nfs/dbraw/zinc/03/64/62/170036462.db2.gz REISMZCEDAODBI-SRVKXCTJSA-N 2 2 230.352 0.314 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+][C@H](CO)CCOC)[C@@H](C)C1 ZINC000309919491 170036464 /nfs/dbraw/zinc/03/64/64/170036464.db2.gz REISMZCEDAODBI-SRVKXCTJSA-N 2 2 230.352 0.314 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCCO)C1 ZINC000336669166 170036469 /nfs/dbraw/zinc/03/64/69/170036469.db2.gz XGSBUMAYMBNEFI-WDEREUQCSA-N 2 2 200.326 0.689 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCCO)C1 ZINC000336669166 170036471 /nfs/dbraw/zinc/03/64/71/170036471.db2.gz XGSBUMAYMBNEFI-WDEREUQCSA-N 2 2 200.326 0.689 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CC(=O)N(C)C2)[C@@H](C)C1 ZINC000336777321 170036851 /nfs/dbraw/zinc/03/68/51/170036851.db2.gz IDHNXAFMTCVCFG-DCAQKATOSA-N 2 2 225.336 0.147 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CC(=O)N(C)C2)[C@@H](C)C1 ZINC000336777321 170036852 /nfs/dbraw/zinc/03/68/52/170036852.db2.gz IDHNXAFMTCVCFG-DCAQKATOSA-N 2 2 225.336 0.147 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CCc3ncnn3C2)[C@@H](C)C1 ZINC000358107787 170037125 /nfs/dbraw/zinc/03/71/25/170037125.db2.gz HVEALCUGBRTFAY-SRVKXCTJSA-N 2 2 249.362 0.523 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCc3ncnn3C2)[C@@H](C)C1 ZINC000358107787 170037126 /nfs/dbraw/zinc/03/71/26/170037126.db2.gz HVEALCUGBRTFAY-SRVKXCTJSA-N 2 2 249.362 0.523 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCC(=O)NC)C1 ZINC000309618521 170037164 /nfs/dbraw/zinc/03/71/64/170037164.db2.gz DMCHLIWJNJMZME-WDEREUQCSA-N 2 2 227.352 0.442 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCC(=O)NC)C1 ZINC000309618521 170037165 /nfs/dbraw/zinc/03/71/65/170037165.db2.gz DMCHLIWJNJMZME-WDEREUQCSA-N 2 2 227.352 0.442 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CCN(C(C)=O)C2)[C@@H](C)C1 ZINC000358266353 170037666 /nfs/dbraw/zinc/03/76/66/170037666.db2.gz MDKZDOAFXGSMKP-DRZSPHRISA-N 2 2 239.363 0.537 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCN(C(C)=O)C2)[C@@H](C)C1 ZINC000358266353 170037667 /nfs/dbraw/zinc/03/76/67/170037667.db2.gz MDKZDOAFXGSMKP-DRZSPHRISA-N 2 2 239.363 0.537 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H](NC[C@H]2C[NH+](C)CCO2)C1 ZINC000358139057 170038373 /nfs/dbraw/zinc/03/83/73/170038373.db2.gz WAEXFJZTEJQROP-RWMBFGLXSA-N 2 2 241.379 0.247 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H](NC[C@H]2C[NH+](C)CCO2)C1 ZINC000358139057 170038375 /nfs/dbraw/zinc/03/83/75/170038375.db2.gz WAEXFJZTEJQROP-RWMBFGLXSA-N 2 2 241.379 0.247 20 0 BCADLP CC[NH+]1C[C@H](C)[C@H](NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000358139057 170038376 /nfs/dbraw/zinc/03/83/76/170038376.db2.gz WAEXFJZTEJQROP-RWMBFGLXSA-N 2 2 241.379 0.247 20 0 BCADLP CC[NH+]1C[C@H](C)[C@H](NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000358139057 170038378 /nfs/dbraw/zinc/03/83/78/170038378.db2.gz WAEXFJZTEJQROP-RWMBFGLXSA-N 2 2 241.379 0.247 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H](NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000358139059 170038488 /nfs/dbraw/zinc/03/84/88/170038488.db2.gz WAEXFJZTEJQROP-YNEHKIRRSA-N 2 2 241.379 0.247 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000358139059 170038489 /nfs/dbraw/zinc/03/84/89/170038489.db2.gz WAEXFJZTEJQROP-YNEHKIRRSA-N 2 2 241.379 0.247 20 0 BCADLP CC[NH+]1C[C@H](C)[C@H](NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000358139059 170038490 /nfs/dbraw/zinc/03/84/90/170038490.db2.gz WAEXFJZTEJQROP-YNEHKIRRSA-N 2 2 241.379 0.247 20 0 BCADLP CC[NH+]1C[C@H](C)[C@H](NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000358139059 170038492 /nfs/dbraw/zinc/03/84/92/170038492.db2.gz WAEXFJZTEJQROP-YNEHKIRRSA-N 2 2 241.379 0.247 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC(=O)N(C)C2)C1 ZINC000336777323 170038774 /nfs/dbraw/zinc/03/87/74/170038774.db2.gz IDHNXAFMTCVCFG-HBNTYKKESA-N 2 2 225.336 0.147 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC(=O)N(C)C2)C1 ZINC000336777323 170038775 /nfs/dbraw/zinc/03/87/75/170038775.db2.gz IDHNXAFMTCVCFG-HBNTYKKESA-N 2 2 225.336 0.147 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCN(C(C)=O)C2)C1 ZINC000358266357 170039724 /nfs/dbraw/zinc/03/97/24/170039724.db2.gz MDKZDOAFXGSMKP-WCFLWFBJSA-N 2 2 239.363 0.537 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCN(C(C)=O)C2)C1 ZINC000358266357 170039725 /nfs/dbraw/zinc/03/97/25/170039725.db2.gz MDKZDOAFXGSMKP-WCFLWFBJSA-N 2 2 239.363 0.537 20 0 BCADLP CCNC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000338257807 170053816 /nfs/dbraw/zinc/05/38/16/170053816.db2.gz VRBKIDRPKYKSDA-UHFFFAOYSA-N 2 2 241.379 0.927 20 0 BCADLP CCNC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000338257807 170053818 /nfs/dbraw/zinc/05/38/18/170053818.db2.gz VRBKIDRPKYKSDA-UHFFFAOYSA-N 2 2 241.379 0.927 20 0 BCADLP CCNC(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337284335 170053911 /nfs/dbraw/zinc/05/39/11/170053911.db2.gz YVUZPVDYCSAWPB-UHFFFAOYSA-N 2 2 227.352 0.540 20 0 BCADLP CCNC(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337284335 170053914 /nfs/dbraw/zinc/05/39/14/170053914.db2.gz YVUZPVDYCSAWPB-UHFFFAOYSA-N 2 2 227.352 0.540 20 0 BCADLP CCNC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000309014971 170065544 /nfs/dbraw/zinc/06/55/44/170065544.db2.gz UAIGEEJVLWRNTL-JTQLQIEISA-N 2 2 201.314 0.086 20 0 BCADLP CCOC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000250480342 170222067 /nfs/dbraw/zinc/22/20/67/170222067.db2.gz VGPZJDHGKXOJJV-BDAKNGLRSA-N 2 2 200.282 0.219 20 0 BCADLP CCOC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000250480342 170222068 /nfs/dbraw/zinc/22/20/68/170222068.db2.gz VGPZJDHGKXOJJV-BDAKNGLRSA-N 2 2 200.282 0.219 20 0 BCADLP CCOC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000126883902 170222465 /nfs/dbraw/zinc/22/24/65/170222465.db2.gz VGPZJDHGKXOJJV-IUCAKERBSA-N 2 2 200.282 0.219 20 0 BCADLP CCOC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000126883902 170222467 /nfs/dbraw/zinc/22/24/67/170222467.db2.gz VGPZJDHGKXOJJV-IUCAKERBSA-N 2 2 200.282 0.219 20 0 BCADLP CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000227082640 170250450 /nfs/dbraw/zinc/25/04/50/170250450.db2.gz RITJZYSOXTZPGD-WDEREUQCSA-N 2 2 228.336 0.869 20 0 BCADLP CCOC(=O)[C@@H](CC)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000227082640 170250451 /nfs/dbraw/zinc/25/04/51/170250451.db2.gz RITJZYSOXTZPGD-WDEREUQCSA-N 2 2 228.336 0.869 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229083267 170266908 /nfs/dbraw/zinc/26/69/08/170266908.db2.gz LBDWLDRIANBSRY-VWYCJHECSA-N 2 2 228.336 0.855 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229083267 170266909 /nfs/dbraw/zinc/26/69/09/170266909.db2.gz LBDWLDRIANBSRY-VWYCJHECSA-N 2 2 228.336 0.855 20 0 BCADLP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000082759336 170271703 /nfs/dbraw/zinc/27/17/03/170271703.db2.gz HMGIPCTYFRHDPK-ZJUUUORDSA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)[C@H](CC)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000082759336 170271704 /nfs/dbraw/zinc/27/17/04/170271704.db2.gz HMGIPCTYFRHDPK-ZJUUUORDSA-N 2 2 214.309 0.609 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCNc2cnccn2)C1 ZINC000344634843 411638739 /nfs/dbraw/zinc/63/87/39/411638739.db2.gz CUOFORUMXSITGN-NEPJUHHUSA-N 2 2 249.362 0.818 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCNc2cnccn2)C1 ZINC000344634843 411638742 /nfs/dbraw/zinc/63/87/42/411638742.db2.gz CUOFORUMXSITGN-NEPJUHHUSA-N 2 2 249.362 0.818 20 0 BCADLP C[NH+](C)[C@H]1CCC[N@H+](CCc2c[nH]nn2)CC1 ZINC000660415209 411582163 /nfs/dbraw/zinc/58/21/63/411582163.db2.gz BQHQROHKRHMICT-LBPRGKRZSA-N 2 2 237.351 0.763 20 0 BCADLP C[NH+](C)[C@H]1CCC[N@@H+](CCc2c[nH]nn2)CC1 ZINC000660415209 411582164 /nfs/dbraw/zinc/58/21/64/411582164.db2.gz BQHQROHKRHMICT-LBPRGKRZSA-N 2 2 237.351 0.763 20 0 BCADLP C[NH+](C)[C@H]1CCC[N@@H+](CCc2cn[nH]n2)CC1 ZINC000660415209 411582166 /nfs/dbraw/zinc/58/21/66/411582166.db2.gz BQHQROHKRHMICT-LBPRGKRZSA-N 2 2 237.351 0.763 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)C1(CO)CC1 ZINC000660544262 411598317 /nfs/dbraw/zinc/59/83/17/411598317.db2.gz SFUPXCXYVYWUDA-NSHDSACASA-N 2 2 230.352 0.144 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)C1(CO)CC1 ZINC000660544262 411598319 /nfs/dbraw/zinc/59/83/19/411598319.db2.gz SFUPXCXYVYWUDA-NSHDSACASA-N 2 2 230.352 0.144 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)C1(CO)CC1 ZINC000660544262 411598320 /nfs/dbraw/zinc/59/83/20/411598320.db2.gz SFUPXCXYVYWUDA-NSHDSACASA-N 2 2 230.352 0.144 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)C1(CO)CC1 ZINC000660544262 411598322 /nfs/dbraw/zinc/59/83/22/411598322.db2.gz SFUPXCXYVYWUDA-NSHDSACASA-N 2 2 230.352 0.144 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2C[C@H](O)C2)n1C ZINC000657808358 411600799 /nfs/dbraw/zinc/60/07/99/411600799.db2.gz GRJMUYBYKZNETR-CZMCAQCFSA-N 2 2 224.308 0.099 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](O)C2)C[N@@H+]1C1CC1 ZINC000657809210 411601721 /nfs/dbraw/zinc/60/17/21/411601721.db2.gz HODLAJCFWXTTLG-MWGHHZFTSA-N 2 2 210.321 0.725 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](O)C2)C[N@H+]1C1CC1 ZINC000657809210 411601723 /nfs/dbraw/zinc/60/17/23/411601723.db2.gz HODLAJCFWXTTLG-MWGHHZFTSA-N 2 2 210.321 0.725 20 0 BCADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cn1cncn1 ZINC000657821032 411607773 /nfs/dbraw/zinc/60/77/73/411607773.db2.gz PLOGAZUPXAXGGK-NEPJUHHUSA-N 2 2 237.351 0.741 20 0 BCADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cn1cncn1 ZINC000657821032 411607774 /nfs/dbraw/zinc/60/77/74/411607774.db2.gz PLOGAZUPXAXGGK-NEPJUHHUSA-N 2 2 237.351 0.741 20 0 BCADLP Cc1cc(N[C@@H](C)C[NH3+])nc(C2CC2)[nH+]1 ZINC000420248929 411657944 /nfs/dbraw/zinc/65/79/44/411657944.db2.gz QZBCGOXKHROQAH-QMMMGPOBSA-N 2 2 206.293 1.422 20 0 BCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663493685 411672948 /nfs/dbraw/zinc/67/29/48/411672948.db2.gz CXRCHFXTWULXPF-UPJWGTAASA-N 3 2 225.380 0.901 20 0 BCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663493685 411672954 /nfs/dbraw/zinc/67/29/54/411672954.db2.gz CXRCHFXTWULXPF-UPJWGTAASA-N 3 2 225.380 0.901 20 0 BCADLP [NH3+]C1(C[NH2+]C[C@@]23C[C@@H]2C[NH2+]C3)CCCCC1 ZINC000663494542 411674693 /nfs/dbraw/zinc/67/46/93/411674693.db2.gz PGUVKOHSEYMLQS-NEPJUHHUSA-N 3 2 223.364 0.847 20 0 BCADLP C[C@@H](CC[NH3+])[NH2+]Cc1nc2c(s1)C[NH2+]CC2 ZINC000663495657 411675465 /nfs/dbraw/zinc/67/54/65/411675465.db2.gz ADSIGNZBLFIITK-QMMMGPOBSA-N 3 2 240.376 0.616 20 0 BCADLP C([NH2+]CC12CC(C1)C[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000663497119 411678383 /nfs/dbraw/zinc/67/83/83/411678383.db2.gz CCDSRXSRHSVXTN-UNXYVOJBSA-N 3 2 209.337 0.328 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@]12C[C@H]1C[NH2+]C2 ZINC000663498042 411681691 /nfs/dbraw/zinc/68/16/91/411681691.db2.gz RDBBTKIUCZUVEJ-NOOOWODRSA-N 3 2 209.337 0.184 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663498390 411681918 /nfs/dbraw/zinc/68/19/18/411681918.db2.gz SGELFPNWHQQFDJ-USZNOCQGSA-N 3 2 209.337 0.326 20 0 BCADLP C([NH2+][C@H]1CCCC[NH2+]C1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663500202 411683027 /nfs/dbraw/zinc/68/30/27/411683027.db2.gz YXIQRZKLCKXWDH-SDDRHHMPSA-N 3 2 209.337 0.328 20 0 BCADLP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663499979 411683963 /nfs/dbraw/zinc/68/39/63/411683963.db2.gz HOGIKCJQJLHLNH-GMKTYKIGSA-N 3 2 223.364 0.859 20 0 BCADLP Cn1cc(C[NH2+]CC23CC(C2)C[NH2+]3)cn1 ZINC000663499369 411684522 /nfs/dbraw/zinc/68/45/22/411684522.db2.gz YZOIMBOIHJQCMA-UHFFFAOYSA-N 2 2 206.293 0.262 20 0 BCADLP CNC(=O)c1ccc(C[NH2+][C@H](C)C[NH2+]C)cc1 ZINC000663507977 411690069 /nfs/dbraw/zinc/69/00/69/411690069.db2.gz FLXBQPAVNFSREN-SNVBAGLBSA-N 2 2 235.331 0.744 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cnc(N(C)C)s1 ZINC000663508133 411690369 /nfs/dbraw/zinc/69/03/69/411690369.db2.gz KBQAQHGDOVGDSM-MRVPVSSYSA-N 2 2 228.365 0.907 20 0 BCADLP CC[N@H+](C)C[C@H](O)CN(C)Cc1c[nH+]c[nH]1 ZINC000661090437 411700773 /nfs/dbraw/zinc/70/07/73/411700773.db2.gz PIECNYUCNNQZBL-NSHDSACASA-N 2 2 226.324 0.154 20 0 BCADLP CC[N@@H+](C)C[C@H](O)CN(C)Cc1c[nH+]c[nH]1 ZINC000661090437 411700778 /nfs/dbraw/zinc/70/07/78/411700778.db2.gz PIECNYUCNNQZBL-NSHDSACASA-N 2 2 226.324 0.154 20 0 BCADLP CC[N@H+](C)C[C@H](O)CN(C)Cc1c[nH]c[nH+]1 ZINC000661090437 411700781 /nfs/dbraw/zinc/70/07/81/411700781.db2.gz PIECNYUCNNQZBL-NSHDSACASA-N 2 2 226.324 0.154 20 0 BCADLP CC[N@@H+](C)C[C@H](O)CN(C)Cc1c[nH]c[nH+]1 ZINC000661090437 411700786 /nfs/dbraw/zinc/70/07/86/411700786.db2.gz PIECNYUCNNQZBL-NSHDSACASA-N 2 2 226.324 0.154 20 0 BCADLP Cc1c[nH+]c(C)nc1NCCN1CC[NH+](C)CC1 ZINC000579852766 411734178 /nfs/dbraw/zinc/73/41/78/411734178.db2.gz XKPRADIQDIEXKX-UHFFFAOYSA-N 2 2 249.362 0.753 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](O)C1 ZINC000314648825 411767048 /nfs/dbraw/zinc/76/70/48/411767048.db2.gz VSQCBLVCKWQQSI-GFCCVEGCSA-N 2 2 223.320 0.809 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](O)C1 ZINC000314648825 411767051 /nfs/dbraw/zinc/76/70/51/411767051.db2.gz VSQCBLVCKWQQSI-GFCCVEGCSA-N 2 2 223.320 0.809 20 0 BCADLP COC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)C1CCOCC1 ZINC000661159999 411723915 /nfs/dbraw/zinc/72/39/15/411723915.db2.gz VRYIUJIMNDVUAK-GFCCVEGCSA-N 2 2 239.319 0.941 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000415105109 411865183 /nfs/dbraw/zinc/86/51/83/411865183.db2.gz LWSQBUPHCKBZSP-SNVBAGLBSA-N 2 2 249.362 0.976 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000415105109 411865188 /nfs/dbraw/zinc/86/51/88/411865188.db2.gz LWSQBUPHCKBZSP-SNVBAGLBSA-N 2 2 249.362 0.976 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)C[C@@H]1COCCO1 ZINC000661611350 411816320 /nfs/dbraw/zinc/81/63/20/411816320.db2.gz JFMIOYXCXASZED-GFCCVEGCSA-N 2 2 239.319 0.310 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)C[C@@H]1COCCO1 ZINC000661611350 411816322 /nfs/dbraw/zinc/81/63/22/411816322.db2.gz JFMIOYXCXASZED-GFCCVEGCSA-N 2 2 239.319 0.310 20 0 BCADLP C[C@@H]1C[NH+](CCn2cc[nH+]c2)C[C@@H](C)C1O ZINC000661628437 411823617 /nfs/dbraw/zinc/82/36/17/411823617.db2.gz UDCKMTDSFJYJIK-GHMZBOCLSA-N 2 2 223.320 0.832 20 0 BCADLP C[C@@H]([NH2+]CCNc1cnccn1)[C@@H]1CCCC[NH2+]1 ZINC000643463091 411828579 /nfs/dbraw/zinc/82/85/79/411828579.db2.gz CKUHYAMPLMKSPE-NEPJUHHUSA-N 2 2 249.362 1.009 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723342 411858649 /nfs/dbraw/zinc/85/86/49/411858649.db2.gz ZUZFHPLWEFYVNS-NWDGAFQWSA-N 2 2 221.304 0.648 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723342 411858651 /nfs/dbraw/zinc/85/86/51/411858651.db2.gz ZUZFHPLWEFYVNS-NWDGAFQWSA-N 2 2 221.304 0.648 20 0 BCADLP CC[C@H]([NH3+])C[NH2+]Cc1cnc(N)s1 ZINC000574204546 411885924 /nfs/dbraw/zinc/88/59/24/411885924.db2.gz LBDKJHZSDKXFRJ-LURJTMIESA-N 2 2 200.311 0.552 20 0 BCADLP C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccc(N)[nH+]c1 ZINC000647756422 411888683 /nfs/dbraw/zinc/88/86/83/411888683.db2.gz FKNKIOVKZAVZTP-SSDOTTSWSA-N 2 2 220.276 0.743 20 0 BCADLP O[C@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)C12CCC2 ZINC000661829482 411893727 /nfs/dbraw/zinc/89/37/27/411893727.db2.gz CAJUDHPKCGOLRG-QWRGUYRKSA-N 2 2 221.304 0.776 20 0 BCADLP Cc1nnc(NCC[N@@H+](C)CCC[NH+](C)C)o1 ZINC000664247614 411898967 /nfs/dbraw/zinc/89/89/67/411898967.db2.gz DHMGVUMYZMMWRT-UHFFFAOYSA-N 2 2 241.339 0.673 20 0 BCADLP Cc1nnc(NCC[N@H+](C)CCC[NH+](C)C)o1 ZINC000664247614 411898970 /nfs/dbraw/zinc/89/89/70/411898970.db2.gz DHMGVUMYZMMWRT-UHFFFAOYSA-N 2 2 241.339 0.673 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661853527 411902749 /nfs/dbraw/zinc/90/27/49/411902749.db2.gz UFCHJNLYUSLZIJ-AGIUHOORSA-N 2 2 244.379 0.798 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661853527 411902753 /nfs/dbraw/zinc/90/27/53/411902753.db2.gz UFCHJNLYUSLZIJ-AGIUHOORSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661853527 411902757 /nfs/dbraw/zinc/90/27/57/411902757.db2.gz UFCHJNLYUSLZIJ-AGIUHOORSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661853527 411902759 /nfs/dbraw/zinc/90/27/59/411902759.db2.gz UFCHJNLYUSLZIJ-AGIUHOORSA-N 2 2 244.379 0.798 20 0 BCADLP C[NH2+]CCC[N@H+](C)Cc1cnc(N)s1 ZINC000571327262 411902762 /nfs/dbraw/zinc/90/27/62/411902762.db2.gz SSDBCLFVUBNUCO-UHFFFAOYSA-N 2 2 214.338 0.767 20 0 BCADLP C[NH2+]CCC[N@@H+](C)Cc1cnc(N)s1 ZINC000571327262 411902767 /nfs/dbraw/zinc/90/27/67/411902767.db2.gz SSDBCLFVUBNUCO-UHFFFAOYSA-N 2 2 214.338 0.767 20 0 BCADLP C[NH2+][C@@H]1CCCN(Cc2cc[nH+]c(N)c2)C1 ZINC000568392664 411903849 /nfs/dbraw/zinc/90/38/49/411903849.db2.gz UXIXWJYEMSUSTB-LLVKDONJSA-N 2 2 220.320 0.848 20 0 BCADLP C[NH2+][C@H](C)c1cn(Cc2cc[nH+]c(N)c2)nn1 ZINC000641069102 411904980 /nfs/dbraw/zinc/90/49/80/411904980.db2.gz WZGDPVKFAHPQPG-MRVPVSSYSA-N 2 2 232.291 0.584 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(N)nc1 ZINC000629672972 411915496 /nfs/dbraw/zinc/91/54/96/411915496.db2.gz UCLVZPDTRLZYIP-WCBMZHEXSA-N 2 2 206.293 0.504 20 0 BCADLP Cc1[nH+]ccn1CCCNc1nc(C)[nH+]c(N)n1 ZINC000631128263 411917768 /nfs/dbraw/zinc/91/77/68/411917768.db2.gz WEFZDTPHIAGKEX-UHFFFAOYSA-N 2 2 247.306 0.191 20 0 BCADLP Cc1[nH+]ccn1CCCNc1nc(N)nc(C)[nH+]1 ZINC000631128263 411917775 /nfs/dbraw/zinc/91/77/75/411917775.db2.gz WEFZDTPHIAGKEX-UHFFFAOYSA-N 2 2 247.306 0.191 20 0 BCADLP C[C@H]([NH3+])CCC(=O)Nc1ccc(N)[nH+]c1 ZINC000381457384 411919642 /nfs/dbraw/zinc/91/96/42/411919642.db2.gz JSPBVUFVJPGTPF-ZETCQYMHSA-N 2 2 208.265 0.730 20 0 BCADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(N)nc2)C[NH2+]1 ZINC000629660038 411929074 /nfs/dbraw/zinc/92/90/74/411929074.db2.gz MMBJZVGNFDJGPR-GXSJLCMTSA-N 2 2 220.320 0.894 20 0 BCADLP Nc1cc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc[nH+]1 ZINC000563154014 411939905 /nfs/dbraw/zinc/93/99/05/411939905.db2.gz DZLCGJPHBGQGKB-NEPJUHHUSA-N 2 2 232.331 0.990 20 0 BCADLP Nc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000566916032 411941628 /nfs/dbraw/zinc/94/16/28/411941628.db2.gz WZLIAWLEWWROQO-RYUDHWBXSA-N 2 2 232.331 0.705 20 0 BCADLP Nc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000566916032 411941633 /nfs/dbraw/zinc/94/16/33/411941633.db2.gz WZLIAWLEWWROQO-RYUDHWBXSA-N 2 2 232.331 0.705 20 0 BCADLP Nc1ncc(C[NH2+]C[C@H]([NH3+])C2CC2)s1 ZINC000567870975 411963835 /nfs/dbraw/zinc/96/38/35/411963835.db2.gz CJPVRWUGBAIAAY-QMMMGPOBSA-N 2 2 212.322 0.552 20 0 BCADLP Nc1ncc(C[NH2+]C[C@@H]2CCC[NH2+]2)s1 ZINC000566009755 411964371 /nfs/dbraw/zinc/96/43/71/411964371.db2.gz KJLSBCILDVUCPS-ZETCQYMHSA-N 2 2 212.322 0.567 20 0 BCADLP Nc1ccc(NC(=O)CC(F)(F)C[NH3+])c[nH+]1 ZINC000563336654 411977132 /nfs/dbraw/zinc/97/71/32/411977132.db2.gz JLWIRZXSAQXFIO-UHFFFAOYSA-N 2 2 230.218 0.586 20 0 BCADLP Nc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cn1 ZINC000647546620 411977414 /nfs/dbraw/zinc/97/74/14/411977414.db2.gz SAONQXBJNYSKEZ-SNVBAGLBSA-N 2 2 206.293 0.491 20 0 BCADLP C[C@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@@]1(C)CO ZINC000662144291 412006798 /nfs/dbraw/zinc/00/67/98/412006798.db2.gz SKEFPTALECANRI-AAEUAGOBSA-N 2 2 237.347 0.913 20 0 BCADLP C[C@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@@]1(C)CO ZINC000662144291 412006800 /nfs/dbraw/zinc/00/68/00/412006800.db2.gz SKEFPTALECANRI-AAEUAGOBSA-N 2 2 237.347 0.913 20 0 BCADLP c1cn(CC[N@@H+]2CC[C@H]3COC[C@H]3C2)c[nH+]1 ZINC000662030919 411947830 /nfs/dbraw/zinc/94/78/30/411947830.db2.gz BICCWFOEOFZTHS-NWDGAFQWSA-N 2 2 221.304 0.851 20 0 BCADLP c1cn(CC[N@H+]2CC[C@H]3COC[C@H]3C2)c[nH+]1 ZINC000662030919 411947833 /nfs/dbraw/zinc/94/78/33/411947833.db2.gz BICCWFOEOFZTHS-NWDGAFQWSA-N 2 2 221.304 0.851 20 0 BCADLP Nc1ccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000622004585 411955054 /nfs/dbraw/zinc/95/50/54/411955054.db2.gz QVBJEIIJIRGMSC-YPMHNXCESA-N 2 2 232.331 0.977 20 0 BCADLP Nc1ccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000622004585 411955057 /nfs/dbraw/zinc/95/50/57/411955057.db2.gz QVBJEIIJIRGMSC-YPMHNXCESA-N 2 2 232.331 0.977 20 0 BCADLP Cn1c[nH+]cc1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662038814 411955367 /nfs/dbraw/zinc/95/53/67/411955367.db2.gz TXJOLOGUZJGHHP-GHMZBOCLSA-N 2 2 221.304 0.888 20 0 BCADLP Cn1c[nH+]cc1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662038814 411955370 /nfs/dbraw/zinc/95/53/70/411955370.db2.gz TXJOLOGUZJGHHP-GHMZBOCLSA-N 2 2 221.304 0.888 20 0 BCADLP Nc1ccc(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)c[nH+]1 ZINC000372430926 411957805 /nfs/dbraw/zinc/95/78/05/411957805.db2.gz IYZRIFQBKXCMON-BXKDBHETSA-N 2 2 232.287 0.602 20 0 BCADLP Nc1ccc(NC(=O)CC[NH2+]C2CC2)c[nH+]1 ZINC000516583318 411958132 /nfs/dbraw/zinc/95/81/32/411958132.db2.gz XGXHCWSHNLILPT-UHFFFAOYSA-N 2 2 220.276 0.744 20 0 BCADLP Nc1ncc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000570279911 411961586 /nfs/dbraw/zinc/96/15/86/411961586.db2.gz QULXSEPHRFYVNB-DTWKUNHWSA-N 2 2 238.360 0.767 20 0 BCADLP Nc1ncc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000570279911 411961590 /nfs/dbraw/zinc/96/15/90/411961590.db2.gz QULXSEPHRFYVNB-DTWKUNHWSA-N 2 2 238.360 0.767 20 0 BCADLP Cc1nc(N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)nc(N)[nH+]1 ZINC000631199828 411963446 /nfs/dbraw/zinc/96/34/46/411963446.db2.gz VRBYCTUMDYJROM-UWVGGRQHSA-N 2 2 248.334 0.293 20 0 BCADLP Cc1nc(N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)nc(N)[nH+]1 ZINC000631199828 411963455 /nfs/dbraw/zinc/96/34/55/411963455.db2.gz VRBYCTUMDYJROM-UWVGGRQHSA-N 2 2 248.334 0.293 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662243701 412039180 /nfs/dbraw/zinc/03/91/80/412039180.db2.gz OXZNUPZQHXXMOK-RYUDHWBXSA-N 3 2 239.363 0.321 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662243701 412039183 /nfs/dbraw/zinc/03/91/83/412039183.db2.gz OXZNUPZQHXXMOK-RYUDHWBXSA-N 3 2 239.363 0.321 20 0 BCADLP CCCC[N@H+](CCO)C[C@@H]1C[NH2+]CCO1 ZINC000662249236 412040649 /nfs/dbraw/zinc/04/06/49/412040649.db2.gz KCYOGHHXEKJLLQ-NSHDSACASA-N 2 2 216.325 0.069 20 0 BCADLP CCCC[N@@H+](CCO)C[C@@H]1C[NH2+]CCO1 ZINC000662249236 412040652 /nfs/dbraw/zinc/04/06/52/412040652.db2.gz KCYOGHHXEKJLLQ-NSHDSACASA-N 2 2 216.325 0.069 20 0 BCADLP CCc1nnc([C@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)[nH]1 ZINC000662245138 412041904 /nfs/dbraw/zinc/04/19/04/412041904.db2.gz RQDUMKQZQDCGRA-DTWKUNHWSA-N 2 2 223.324 0.709 20 0 BCADLP CCc1nnc([C@H](C)[N@H+]2CC[C@H](C[NH3+])C2)[nH]1 ZINC000662245138 412041908 /nfs/dbraw/zinc/04/19/08/412041908.db2.gz RQDUMKQZQDCGRA-DTWKUNHWSA-N 2 2 223.324 0.709 20 0 BCADLP CCc1nnc([C@H](C)[N@@H+]2CC[C@@H](C[NH3+])C2)[nH]1 ZINC000662245145 412042152 /nfs/dbraw/zinc/04/21/52/412042152.db2.gz RQDUMKQZQDCGRA-IUCAKERBSA-N 2 2 223.324 0.709 20 0 BCADLP CCc1nnc([C@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)[nH]1 ZINC000662245145 412042154 /nfs/dbraw/zinc/04/21/54/412042154.db2.gz RQDUMKQZQDCGRA-IUCAKERBSA-N 2 2 223.324 0.709 20 0 BCADLP Cc1nnc([C@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)[nH]1 ZINC000662245877 412043314 /nfs/dbraw/zinc/04/33/14/412043314.db2.gz VFCYHBUJTZCSFA-IONNQARKSA-N 2 2 209.297 0.455 20 0 BCADLP Cc1nnc([C@H](C)[N@H+]2CC[C@H](C[NH3+])C2)[nH]1 ZINC000662245877 412043318 /nfs/dbraw/zinc/04/33/18/412043318.db2.gz VFCYHBUJTZCSFA-IONNQARKSA-N 2 2 209.297 0.455 20 0 BCADLP CC(C)C[C@@H]1COCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662254254 412049733 /nfs/dbraw/zinc/04/97/33/412049733.db2.gz GLLGMJQATZZZSB-OLZOCXBDSA-N 2 2 242.363 0.722 20 0 BCADLP CC(C)C[C@@H]1COCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662254254 412049736 /nfs/dbraw/zinc/04/97/36/412049736.db2.gz GLLGMJQATZZZSB-OLZOCXBDSA-N 2 2 242.363 0.722 20 0 BCADLP CC1(C)C[N@H+](C[C@@H]2C[NH2+]CCO2)C(C)(C)CO1 ZINC000662256912 412050782 /nfs/dbraw/zinc/05/07/82/412050782.db2.gz ZHRIONCOEKBKNG-NSHDSACASA-N 2 2 242.363 0.864 20 0 BCADLP CC1(C)C[N@@H+](C[C@@H]2C[NH2+]CCO2)C(C)(C)CO1 ZINC000662256912 412050785 /nfs/dbraw/zinc/05/07/85/412050785.db2.gz ZHRIONCOEKBKNG-NSHDSACASA-N 2 2 242.363 0.864 20 0 BCADLP C[N@@H+](Cc1ccon1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255791 412050870 /nfs/dbraw/zinc/05/08/70/412050870.db2.gz ROYQVKNRSSAOAD-NSHDSACASA-N 2 2 237.303 0.627 20 0 BCADLP C[N@H+](Cc1ccon1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255791 412050873 /nfs/dbraw/zinc/05/08/73/412050873.db2.gz ROYQVKNRSSAOAD-NSHDSACASA-N 2 2 237.303 0.627 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CC1=CCSC1 ZINC000662265358 412057996 /nfs/dbraw/zinc/05/79/96/412057996.db2.gz XPHBYTWQWDXURT-GFCCVEGCSA-N 2 2 244.404 0.904 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CC1=CCSC1 ZINC000662265358 412058002 /nfs/dbraw/zinc/05/80/02/412058002.db2.gz XPHBYTWQWDXURT-GFCCVEGCSA-N 2 2 244.404 0.904 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CC1=CCSC1 ZINC000662265358 412058006 /nfs/dbraw/zinc/05/80/06/412058006.db2.gz XPHBYTWQWDXURT-GFCCVEGCSA-N 2 2 244.404 0.904 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CC1=CCSC1 ZINC000662265358 412058009 /nfs/dbraw/zinc/05/80/09/412058009.db2.gz XPHBYTWQWDXURT-GFCCVEGCSA-N 2 2 244.404 0.904 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCOCC2(CCC2)C1 ZINC000662279678 412071700 /nfs/dbraw/zinc/07/17/00/412071700.db2.gz AVFKSAYENPGKQE-LBPRGKRZSA-N 2 2 240.347 0.477 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCOCC2(CCC2)C1 ZINC000662279678 412071701 /nfs/dbraw/zinc/07/17/01/412071701.db2.gz AVFKSAYENPGKQE-LBPRGKRZSA-N 2 2 240.347 0.477 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000289967421 171146185 /nfs/dbraw/zinc/14/61/85/171146185.db2.gz NDRKKNBPIKFOAO-QWRGUYRKSA-N 2 2 236.319 0.387 20 0 BCADLP C[N@H+](CC[NH3+])Cc1cccc2c1CC[NH2+]C2 ZINC000662280654 412071181 /nfs/dbraw/zinc/07/11/81/412071181.db2.gz GMLCIASQPZNLGF-UHFFFAOYSA-N 3 2 219.332 0.723 20 0 BCADLP C[N@@H+](CC[NH3+])Cc1cccc2c1CC[NH2+]C2 ZINC000662280654 412071183 /nfs/dbraw/zinc/07/11/83/412071183.db2.gz GMLCIASQPZNLGF-UHFFFAOYSA-N 3 2 219.332 0.723 20 0 BCADLP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2C[NH2+]CCO2)C[C@@H]1C[NH3+] ZINC000662282401 412073276 /nfs/dbraw/zinc/07/32/76/412073276.db2.gz HEZBNYMWEDDTTK-VOAKCMCISA-N 3 2 241.379 0.280 20 0 BCADLP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2C[NH2+]CCO2)C[C@@H]1C[NH3+] ZINC000662282401 412073277 /nfs/dbraw/zinc/07/32/77/412073277.db2.gz HEZBNYMWEDDTTK-VOAKCMCISA-N 3 2 241.379 0.280 20 0 BCADLP CC[C@H](C(N)=O)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124311092 171242600 /nfs/dbraw/zinc/24/26/00/171242600.db2.gz HMPJANOBJCHQAQ-SNVBAGLBSA-N 2 2 224.308 0.469 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124311092 171242602 /nfs/dbraw/zinc/24/26/02/171242602.db2.gz HMPJANOBJCHQAQ-SNVBAGLBSA-N 2 2 224.308 0.469 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477891 171244653 /nfs/dbraw/zinc/24/46/53/171244653.db2.gz QTRIBTRLNOKWJJ-NXEZZACHSA-N 2 2 213.325 0.134 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477891 171244654 /nfs/dbraw/zinc/24/46/54/171244654.db2.gz QTRIBTRLNOKWJJ-NXEZZACHSA-N 2 2 213.325 0.134 20 0 BCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+](C)CC(C)(C)[NH3+] ZINC000662293067 412082647 /nfs/dbraw/zinc/08/26/47/412082647.db2.gz NKBNPERHDYJPMP-JTQLQIEISA-N 2 2 229.368 0.911 20 0 BCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662293067 412082648 /nfs/dbraw/zinc/08/26/48/412082648.db2.gz NKBNPERHDYJPMP-JTQLQIEISA-N 2 2 229.368 0.911 20 0 BCADLP CCN(CC)C(=O)[C@H](C)[N@H+](C)CC(C)(C)[NH3+] ZINC000662297656 412083720 /nfs/dbraw/zinc/08/37/20/412083720.db2.gz OTDMNPCJYWZKAQ-JTQLQIEISA-N 2 2 229.368 0.912 20 0 BCADLP CCN(CC)C(=O)[C@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662297656 412083724 /nfs/dbraw/zinc/08/37/24/412083724.db2.gz OTDMNPCJYWZKAQ-JTQLQIEISA-N 2 2 229.368 0.912 20 0 BCADLP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC([NH3+])CC1 ZINC000034939788 171334044 /nfs/dbraw/zinc/33/40/44/171334044.db2.gz GSMUECLARWLJRR-UWVGGRQHSA-N 2 2 227.352 0.713 20 0 BCADLP Cc1c[nH+]c2cc(C(=O)NCC[NH3+])ccn12 ZINC000662391072 412139716 /nfs/dbraw/zinc/13/97/16/412139716.db2.gz VKJYXKKAZUYUFV-UHFFFAOYSA-N 2 2 218.260 0.331 20 0 BCADLP COCC1([N@H+](C)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662298991 412087034 /nfs/dbraw/zinc/08/70/34/412087034.db2.gz IGXXDUHUTXGSOJ-JTQLQIEISA-N 2 2 214.309 0.086 20 0 BCADLP COCC1([N@@H+](C)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662298991 412087037 /nfs/dbraw/zinc/08/70/37/412087037.db2.gz IGXXDUHUTXGSOJ-JTQLQIEISA-N 2 2 214.309 0.086 20 0 BCADLP Cc1cc(C)n(CC[N@@H+]2CC3CC2(C[NH3+])C3)n1 ZINC000662304122 412089817 /nfs/dbraw/zinc/08/98/17/412089817.db2.gz ISCZNWFVHYGLMQ-UHFFFAOYSA-N 2 2 234.347 0.923 20 0 BCADLP Cc1cc(C)n(CC[N@H+]2CC3CC2(C[NH3+])C3)n1 ZINC000662304122 412089819 /nfs/dbraw/zinc/08/98/19/412089819.db2.gz ISCZNWFVHYGLMQ-UHFFFAOYSA-N 2 2 234.347 0.923 20 0 BCADLP Cc1noc(CCC[N@@H+]2CC3CC2(C[NH3+])C3)n1 ZINC000662306499 412090200 /nfs/dbraw/zinc/09/02/00/412090200.db2.gz RMAGQUCMISXRHY-UHFFFAOYSA-N 2 2 236.319 0.734 20 0 BCADLP Cc1noc(CCC[N@H+]2CC3CC2(C[NH3+])C3)n1 ZINC000662306499 412090203 /nfs/dbraw/zinc/09/02/03/412090203.db2.gz RMAGQUCMISXRHY-UHFFFAOYSA-N 2 2 236.319 0.734 20 0 BCADLP COCCOCC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662306803 412093091 /nfs/dbraw/zinc/09/30/91/412093091.db2.gz SZHVWLBKMZRESZ-UHFFFAOYSA-N 2 2 214.309 0.073 20 0 BCADLP COCCOCC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662306803 412093093 /nfs/dbraw/zinc/09/30/93/412093093.db2.gz SZHVWLBKMZRESZ-UHFFFAOYSA-N 2 2 214.309 0.073 20 0 BCADLP c1cnc2c(n1)CC[N@@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000662314654 412095868 /nfs/dbraw/zinc/09/58/68/412095868.db2.gz AFVYGOBFFFSDBZ-JTQLQIEISA-N 2 2 218.304 0.444 20 0 BCADLP c1cnc2c(n1)CC[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000662314654 412095871 /nfs/dbraw/zinc/09/58/71/412095871.db2.gz AFVYGOBFFFSDBZ-JTQLQIEISA-N 2 2 218.304 0.444 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000662314659 412096295 /nfs/dbraw/zinc/09/62/95/412096295.db2.gz AIWBZLNTJQKJPP-QWRGUYRKSA-N 2 2 225.336 0.278 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000662314659 412096300 /nfs/dbraw/zinc/09/63/00/412096300.db2.gz AIWBZLNTJQKJPP-QWRGUYRKSA-N 2 2 225.336 0.278 20 0 BCADLP Cc1[nH+]ccn1CCCN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662322979 412100880 /nfs/dbraw/zinc/10/08/80/412100880.db2.gz KANUTXVHWVBFDY-VXGBXAGGSA-N 2 2 240.326 0.953 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662325142 412102534 /nfs/dbraw/zinc/10/25/34/412102534.db2.gz CKXVFQWTNVOBNC-NXEZZACHSA-N 2 2 231.315 0.226 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662325142 412102536 /nfs/dbraw/zinc/10/25/36/412102536.db2.gz CKXVFQWTNVOBNC-NXEZZACHSA-N 2 2 231.315 0.226 20 0 BCADLP CN(Cc1c[nH+]cn1C)[C@@H](C[NH3+])C(F)(F)F ZINC000662331013 412104535 /nfs/dbraw/zinc/10/45/35/412104535.db2.gz FCZRBJNSRFMBGR-QMMMGPOBSA-N 2 2 236.241 0.742 20 0 BCADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000665237067 412176600 /nfs/dbraw/zinc/17/66/00/412176600.db2.gz ZMGCJYKRZLBZRV-AATLWQCWSA-N 2 2 223.324 0.999 20 0 BCADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000665241464 412185272 /nfs/dbraw/zinc/18/52/72/412185272.db2.gz NDLIVJIMNJPYGU-JQWIXIFHSA-N 3 2 234.347 0.861 20 0 BCADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cnn(C)c1 ZINC000665243668 412187819 /nfs/dbraw/zinc/18/78/19/412187819.db2.gz QEDPOUTUIPYFED-QWRGUYRKSA-N 2 2 208.309 0.823 20 0 BCADLP CCn1cc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)nn1 ZINC000665245616 412189539 /nfs/dbraw/zinc/18/95/39/412189539.db2.gz NOLPMYXZRMPVMO-PWSUYJOCSA-N 2 2 237.351 0.776 20 0 BCADLP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1([NH3+])CCCC1 ZINC000665246729 412191039 /nfs/dbraw/zinc/19/10/39/412191039.db2.gz MNJYGFOLLIXIJW-SDDRHHMPSA-N 3 2 241.379 0.600 20 0 BCADLP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1([NH3+])CCCC1 ZINC000665246728 412191375 /nfs/dbraw/zinc/19/13/75/412191375.db2.gz MNJYGFOLLIXIJW-QJPTWQEYSA-N 3 2 241.379 0.600 20 0 BCADLP CC[C@H]([NH2+]C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000662524014 412204507 /nfs/dbraw/zinc/20/45/07/412204507.db2.gz ICPZOXHNHDCWHM-JTQLQIEISA-N 2 2 207.277 0.748 20 0 BCADLP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1nc(C(N)=O)cs1 ZINC000665272974 412213439 /nfs/dbraw/zinc/21/34/39/412213439.db2.gz OFFDJANBMFWXTR-RQJHMYQMSA-N 2 2 242.348 0.457 20 0 BCADLP CC[C@H]([NH2+]C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000662413607 412156698 /nfs/dbraw/zinc/15/66/98/412156698.db2.gz YRVSUIZTPUKXCY-QMMMGPOBSA-N 2 2 208.265 0.600 20 0 BCADLP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nc(C(N)=O)cs1 ZINC000665272971 412214056 /nfs/dbraw/zinc/21/40/56/412214056.db2.gz OFFDJANBMFWXTR-BQBZGAKWSA-N 2 2 242.348 0.457 20 0 BCADLP C[N@H+]1CCN(C(=O)C2CC3(CC3)C2)[C@H](C[NH3+])C1 ZINC000662427734 412166683 /nfs/dbraw/zinc/16/66/83/412166683.db2.gz BTRZHRVEAOKTOU-LLVKDONJSA-N 2 2 237.347 0.278 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNc1cnccn1 ZINC000532551711 412265975 /nfs/dbraw/zinc/26/59/75/412265975.db2.gz CZLOMLWKXZTFTF-QWRGUYRKSA-N 2 2 235.335 0.428 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNc1cnccn1 ZINC000532551711 412265979 /nfs/dbraw/zinc/26/59/79/412265979.db2.gz CZLOMLWKXZTFTF-QWRGUYRKSA-N 2 2 235.335 0.428 20 0 BCADLP CN(C)c1[nH+]cccc1CNC(=O)CC1([NH3+])CC1 ZINC000662678358 412268770 /nfs/dbraw/zinc/26/87/70/412268770.db2.gz FSSKTXZATRMCOX-UHFFFAOYSA-N 2 2 248.330 0.645 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662714993 412281193 /nfs/dbraw/zinc/28/11/93/412281193.db2.gz OFABAAJOWOONHH-KOLCDFICSA-N 2 2 235.287 0.114 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662714991 412281235 /nfs/dbraw/zinc/28/12/35/412281235.db2.gz OFABAAJOWOONHH-GXSJLCMTSA-N 2 2 235.287 0.114 20 0 BCADLP CC1(C)CC[NH2+][C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000662731936 412286594 /nfs/dbraw/zinc/28/65/94/412286594.db2.gz LMOPGOUHYQAHLD-VIFPVBQESA-N 2 2 222.292 0.414 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)CC[N@@H+]1C ZINC000665277759 412221846 /nfs/dbraw/zinc/22/18/46/412221846.db2.gz KVEANKJZDYRMEA-CQLXCSJHSA-N 3 2 223.364 0.811 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)CC[N@H+]1C ZINC000665277759 412221851 /nfs/dbraw/zinc/22/18/51/412221851.db2.gz KVEANKJZDYRMEA-CQLXCSJHSA-N 3 2 223.364 0.811 20 0 BCADLP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665280142 412225066 /nfs/dbraw/zinc/22/50/66/412225066.db2.gz UNEHURXIOFSFFA-BFUDSRACSA-N 3 2 209.337 0.455 20 0 BCADLP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1nccn1C ZINC000665283796 412228645 /nfs/dbraw/zinc/22/86/45/412228645.db2.gz VDKBDWHMFBBSIQ-IUCAKERBSA-N 2 2 208.309 0.679 20 0 BCADLP C[C@@H]([NH2+][C@@H](C)c1nccn1C)C1C[NH2+]C1 ZINC000665283794 412229803 /nfs/dbraw/zinc/22/98/03/412229803.db2.gz VDKBDWHMFBBSIQ-BDAKNGLRSA-N 2 2 208.309 0.679 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000662584676 412230052 /nfs/dbraw/zinc/23/00/52/412230052.db2.gz DXOBEGFSKOAVOJ-DGCLKSJQSA-N 2 2 248.330 0.758 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000662584676 412230055 /nfs/dbraw/zinc/23/00/55/412230055.db2.gz DXOBEGFSKOAVOJ-DGCLKSJQSA-N 2 2 248.330 0.758 20 0 BCADLP CC(C)[NH2+]CCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662584806 412230414 /nfs/dbraw/zinc/23/04/14/412230414.db2.gz HGPKUNVSWSVPEU-UHFFFAOYSA-N 2 2 224.308 0.756 20 0 BCADLP CC(C)[NH2+]CCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662584806 412230416 /nfs/dbraw/zinc/23/04/16/412230416.db2.gz HGPKUNVSWSVPEU-UHFFFAOYSA-N 2 2 224.308 0.756 20 0 BCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662585774 412230605 /nfs/dbraw/zinc/23/06/05/412230605.db2.gz LQESTBLNGDUMGD-GHMZBOCLSA-N 2 2 236.319 0.756 20 0 BCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662585774 412230608 /nfs/dbraw/zinc/23/06/08/412230608.db2.gz LQESTBLNGDUMGD-GHMZBOCLSA-N 2 2 236.319 0.756 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C[NH2+]CC1CC1 ZINC000662585605 412230839 /nfs/dbraw/zinc/23/08/39/412230839.db2.gz KRVXSDZDMYUOEE-UHFFFAOYSA-N 2 2 222.292 0.368 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C[NH2+]CC1CC1 ZINC000662585605 412230842 /nfs/dbraw/zinc/23/08/42/412230842.db2.gz KRVXSDZDMYUOEE-UHFFFAOYSA-N 2 2 222.292 0.368 20 0 BCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662586378 412231057 /nfs/dbraw/zinc/23/10/57/412231057.db2.gz TVNMSAYLBMSRBL-WPRPVWTQSA-N 2 2 222.292 0.366 20 0 BCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662586378 412231060 /nfs/dbraw/zinc/23/10/60/412231060.db2.gz TVNMSAYLBMSRBL-WPRPVWTQSA-N 2 2 222.292 0.366 20 0 BCADLP C[C@H]([NH2+]CCNc1cnccn1)[C@@H]1CCC[NH2+]1 ZINC000521225579 412237570 /nfs/dbraw/zinc/23/75/70/412237570.db2.gz DAZDOIVCBDPBLV-QWRGUYRKSA-N 2 2 235.335 0.619 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cn(C)nc1C ZINC000665295377 412242661 /nfs/dbraw/zinc/24/26/61/412242661.db2.gz COVAONCVSRBPAO-DTWKUNHWSA-N 2 2 210.325 0.987 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cn(C)nc1C ZINC000665295378 412243205 /nfs/dbraw/zinc/24/32/05/412243205.db2.gz COVAONCVSRBPAO-IUCAKERBSA-N 2 2 210.325 0.987 20 0 BCADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)S(C)(=O)=O ZINC000665299260 412247434 /nfs/dbraw/zinc/24/74/34/412247434.db2.gz JMHDVLNVHJYOHK-GARJFASQSA-N 2 2 248.392 0.540 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCOCCF ZINC000665298891 412247590 /nfs/dbraw/zinc/24/75/90/412247590.db2.gz BUVBBIOHWFAGQD-VHSXEESVSA-N 2 2 204.289 0.560 20 0 BCADLP FCCOCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000665298956 412247867 /nfs/dbraw/zinc/24/78/67/412247867.db2.gz DAGYQEXMDBJPTQ-VXGBXAGGSA-N 2 2 246.326 0.329 20 0 BCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOCCF ZINC000665299239 412248064 /nfs/dbraw/zinc/24/80/64/412248064.db2.gz JBSRNMSYFDMXTA-WDEREUQCSA-N 2 2 234.315 0.329 20 0 BCADLP CCn1nccc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000665299562 412248612 /nfs/dbraw/zinc/24/86/12/412248612.db2.gz PKZDBHGHYPOGNG-GHMZBOCLSA-N 2 2 208.309 0.872 20 0 BCADLP CC[C@H](C)N(CC)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000662839464 412318590 /nfs/dbraw/zinc/31/85/90/412318590.db2.gz SSSLTTVNYPDZQD-QWRGUYRKSA-N 2 2 229.368 0.912 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC1CC2(CCC2)C1 ZINC000662905896 412340842 /nfs/dbraw/zinc/34/08/42/412340842.db2.gz HJXMCIIVNLRESX-NSHDSACASA-N 2 2 239.363 0.714 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@]1(C)CC1(C)C ZINC000662917728 412344685 /nfs/dbraw/zinc/34/46/85/412344685.db2.gz XDEBPNCVAKFASI-CABZTGNLSA-N 2 2 227.352 0.570 20 0 BCADLP C[C@@H](NC(=O)[C@@H]1CSC[NH2+]1)c1[nH+]ccn1C ZINC000662932757 412348511 /nfs/dbraw/zinc/34/85/11/412348511.db2.gz FHYYFLKZCGRTBF-SFYZADRCSA-N 2 2 240.332 0.260 20 0 BCADLP C[C@@H](NC(=O)CC[NH2+]C1CC1)c1[nH+]ccn1C ZINC000662934749 412349171 /nfs/dbraw/zinc/34/91/71/412349171.db2.gz QGPFLXISLUHCKF-SECBINFHSA-N 2 2 236.319 0.739 20 0 BCADLP CC[C@H]([NH3+])C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662935213 412349251 /nfs/dbraw/zinc/34/92/51/412349251.db2.gz TUGYISZNHBIEPF-YUMQZZPRSA-N 2 2 210.281 0.335 20 0 BCADLP C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1[nH+]ccn1C ZINC000662935128 412349435 /nfs/dbraw/zinc/34/94/35/412349435.db2.gz SDNCTOVRXFNOCA-AEJSXWLSSA-N 2 2 236.319 0.725 20 0 BCADLP C[C@H](NC(=O)[C@@]1(C)CC[NH2+]C1)c1[nH+]ccn1C ZINC000662935616 412349525 /nfs/dbraw/zinc/34/95/25/412349525.db2.gz WTPKLNOXXYWFQA-CABZTGNLSA-N 2 2 236.319 0.597 20 0 BCADLP CCC[NH2+][C@H](C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662935704 412349671 /nfs/dbraw/zinc/34/96/71/412349671.db2.gz XZOOAYHIKASPFJ-NXEZZACHSA-N 2 2 238.335 0.985 20 0 BCADLP CC[C@@H]([NH2+]C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662935776 412350226 /nfs/dbraw/zinc/35/02/26/412350226.db2.gz ZGWWJXUPCULHDT-RKDXNWHRSA-N 2 2 224.308 0.595 20 0 BCADLP C[NH2+]C[C@@H](C)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000662964057 412356894 /nfs/dbraw/zinc/35/68/94/412356894.db2.gz WXSQHSMRRJJVJK-SNVBAGLBSA-N 2 2 246.314 0.601 20 0 BCADLP COCCC[N@H+](C)CCNc1cc(C)[nH+]cn1 ZINC000361097035 412359116 /nfs/dbraw/zinc/35/91/16/412359116.db2.gz NXEFIILNGWSWBC-UHFFFAOYSA-N 2 2 238.335 1.165 20 0 BCADLP COCCC[N@@H+](C)CCNc1cc(C)[nH+]cn1 ZINC000361097035 412359118 /nfs/dbraw/zinc/35/91/18/412359118.db2.gz NXEFIILNGWSWBC-UHFFFAOYSA-N 2 2 238.335 1.165 20 0 BCADLP CN(C[C@@H]1CC1(C)C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000662994359 412365367 /nfs/dbraw/zinc/36/53/67/412365367.db2.gz UIJSWWVUXCQJLT-WDEREUQCSA-N 2 2 241.379 0.770 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]([NH3+])COC(C)C ZINC000662751736 412291120 /nfs/dbraw/zinc/29/11/20/412291120.db2.gz DGVPYJTUHBFRIK-VIFPVBQESA-N 2 2 240.307 0.087 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662752976 412291481 /nfs/dbraw/zinc/29/14/81/412291481.db2.gz MLAWYQKSPIGORD-SNVBAGLBSA-N 2 2 236.319 0.722 20 0 BCADLP CC[C@@H]([NH2+]C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000662785787 412301311 /nfs/dbraw/zinc/30/13/11/412301311.db2.gz KPXNQCNNUUEMPM-SECBINFHSA-N 2 2 224.308 0.377 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC2CC1(C)C2 ZINC000663016712 412371554 /nfs/dbraw/zinc/37/15/54/412371554.db2.gz HXBSAIFYPHAUSH-YZRBJQDESA-N 2 2 225.336 0.276 20 0 BCADLP COc1c(N)[nH+]cnc1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000663239934 412398838 /nfs/dbraw/zinc/39/88/38/412398838.db2.gz QWEWEPXIDPYMMJ-IUCAKERBSA-N 2 2 249.318 0.256 20 0 BCADLP CCn1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cn1 ZINC000228725582 172172676 /nfs/dbraw/zinc/17/26/76/172172676.db2.gz RAYKBQWUEDSURK-LBPRGKRZSA-N 2 2 240.351 0.305 20 0 BCADLP CN(C)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747144 172362650 /nfs/dbraw/zinc/36/26/50/172362650.db2.gz SGXMLADESGCALY-ZACCUICWSA-N 2 2 225.336 0.289 20 0 BCADLP CN(C)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747144 172362652 /nfs/dbraw/zinc/36/26/52/172362652.db2.gz SGXMLADESGCALY-ZACCUICWSA-N 2 2 225.336 0.289 20 0 BCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@](F)(CO)C1 ZINC000338590814 173053797 /nfs/dbraw/zinc/05/37/97/173053797.db2.gz UQUDIKRAGOXDEY-RYUDHWBXSA-N 2 2 230.327 0.877 20 0 BCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@](F)(CO)C1 ZINC000338590814 173053799 /nfs/dbraw/zinc/05/37/99/173053799.db2.gz UQUDIKRAGOXDEY-RYUDHWBXSA-N 2 2 230.327 0.877 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338590814 173053800 /nfs/dbraw/zinc/05/38/00/173053800.db2.gz UQUDIKRAGOXDEY-RYUDHWBXSA-N 2 2 230.327 0.877 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@](F)(CO)C1 ZINC000338590814 173053803 /nfs/dbraw/zinc/05/38/03/173053803.db2.gz UQUDIKRAGOXDEY-RYUDHWBXSA-N 2 2 230.327 0.877 20 0 BCADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(O)CC1 ZINC000203070518 173055151 /nfs/dbraw/zinc/05/51/51/173055151.db2.gz OXZMITJCNGBZGH-CXQJBGSLSA-N 2 2 212.337 0.974 20 0 BCADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CCC(O)CC1 ZINC000203070518 173055154 /nfs/dbraw/zinc/05/51/54/173055154.db2.gz OXZMITJCNGBZGH-CXQJBGSLSA-N 2 2 212.337 0.974 20 0 BCADLP C[NH+]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000367725279 173070076 /nfs/dbraw/zinc/07/00/76/173070076.db2.gz JINMOMBGOOBZKJ-NSHDSACASA-N 2 2 248.330 0.535 20 0 BCADLP Cn1ccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)c1 ZINC000091008876 173076960 /nfs/dbraw/zinc/07/69/60/173076960.db2.gz IVHDHFJQVUFSAL-ZDUSSCGKSA-N 2 2 236.363 0.361 20 0 BCADLP Cn1ccc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000091008876 173076963 /nfs/dbraw/zinc/07/69/63/173076963.db2.gz IVHDHFJQVUFSAL-ZDUSSCGKSA-N 2 2 236.363 0.361 20 0 BCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(O)c2)C1 ZINC000358153709 173138992 /nfs/dbraw/zinc/13/89/92/173138992.db2.gz DMEQBGSDARMYJL-CYBMUJFWSA-N 2 2 236.315 0.548 20 0 BCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(O)c2)C1 ZINC000358153709 173138993 /nfs/dbraw/zinc/13/89/93/173138993.db2.gz DMEQBGSDARMYJL-CYBMUJFWSA-N 2 2 236.315 0.548 20 0 BCADLP CN1CC[C@H]([N@H+](C)CC[C@H]2CCC[NH+]2C)C1=O ZINC000336681350 173149313 /nfs/dbraw/zinc/14/93/13/173149313.db2.gz COFKZHIFLZTEGZ-NEPJUHHUSA-N 2 2 239.363 0.633 20 0 BCADLP CN1CC[C@H]([N@@H+](C)CC[C@H]2CCC[NH+]2C)C1=O ZINC000336681350 173149316 /nfs/dbraw/zinc/14/93/16/173149316.db2.gz COFKZHIFLZTEGZ-NEPJUHHUSA-N 2 2 239.363 0.633 20 0 BCADLP CN1CC[C@H]([NH+](C)CC[C@H]2CCC[N@@H+]2C)C1=O ZINC000336681350 173149318 /nfs/dbraw/zinc/14/93/18/173149318.db2.gz COFKZHIFLZTEGZ-NEPJUHHUSA-N 2 2 239.363 0.633 20 0 BCADLP CN1CC[C@H]([NH+](C)CC[C@H]2CCC[N@H+]2C)C1=O ZINC000336681350 173149320 /nfs/dbraw/zinc/14/93/20/173149320.db2.gz COFKZHIFLZTEGZ-NEPJUHHUSA-N 2 2 239.363 0.633 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cn1 ZINC000335889271 173159576 /nfs/dbraw/zinc/15/95/76/173159576.db2.gz LFVCIEOCZNOFIB-STQMWFEESA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cn1 ZINC000335889271 173159578 /nfs/dbraw/zinc/15/95/78/173159578.db2.gz LFVCIEOCZNOFIB-STQMWFEESA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cn1 ZINC000335889271 173159579 /nfs/dbraw/zinc/15/95/79/173159579.db2.gz LFVCIEOCZNOFIB-STQMWFEESA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cn1 ZINC000335889271 173159580 /nfs/dbraw/zinc/15/95/80/173159580.db2.gz LFVCIEOCZNOFIB-STQMWFEESA-N 2 2 234.347 0.946 20 0 BCADLP CNC(=O)CCC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336748129 173242742 /nfs/dbraw/zinc/24/27/42/173242742.db2.gz CKSUVOBAYDIFKP-NXEZZACHSA-N 2 2 213.325 0.052 20 0 BCADLP CNC(=O)CCC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336748129 173242744 /nfs/dbraw/zinc/24/27/44/173242744.db2.gz CKSUVOBAYDIFKP-NXEZZACHSA-N 2 2 213.325 0.052 20 0 BCADLP CNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000355339909 173274643 /nfs/dbraw/zinc/27/46/43/173274643.db2.gz ITPGKNDNVKERLE-LBPRGKRZSA-N 2 2 239.363 0.396 20 0 BCADLP CNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000355339909 173274644 /nfs/dbraw/zinc/27/46/44/173274644.db2.gz ITPGKNDNVKERLE-LBPRGKRZSA-N 2 2 239.363 0.396 20 0 BCADLP CNC(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000355339909 173274645 /nfs/dbraw/zinc/27/46/45/173274645.db2.gz ITPGKNDNVKERLE-LBPRGKRZSA-N 2 2 239.363 0.396 20 0 BCADLP CNC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000355339909 173274646 /nfs/dbraw/zinc/27/46/46/173274646.db2.gz ITPGKNDNVKERLE-LBPRGKRZSA-N 2 2 239.363 0.396 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000336756584 173280722 /nfs/dbraw/zinc/28/07/22/173280722.db2.gz IRWNXXHSSSABTQ-NXEZZACHSA-N 2 2 213.325 0.195 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000336756584 173280723 /nfs/dbraw/zinc/28/07/23/173280723.db2.gz IRWNXXHSSSABTQ-NXEZZACHSA-N 2 2 213.325 0.195 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000341890131 173280802 /nfs/dbraw/zinc/28/08/02/173280802.db2.gz GKHWMUYSMPBULF-VXGBXAGGSA-N 2 2 241.379 0.833 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000341890131 173280803 /nfs/dbraw/zinc/28/08/03/173280803.db2.gz GKHWMUYSMPBULF-VXGBXAGGSA-N 2 2 241.379 0.833 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353625262 173281177 /nfs/dbraw/zinc/28/11/77/173281177.db2.gz FSJZGKTUCKLSAG-RKDXNWHRSA-N 2 2 236.319 0.381 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353625262 173281178 /nfs/dbraw/zinc/28/11/78/173281178.db2.gz FSJZGKTUCKLSAG-RKDXNWHRSA-N 2 2 236.319 0.381 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000336772157 173282044 /nfs/dbraw/zinc/28/20/44/173282044.db2.gz XNWCLRNFWUEPIT-JTQLQIEISA-N 2 2 213.325 0.196 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353625259 173282599 /nfs/dbraw/zinc/28/25/99/173282599.db2.gz FSJZGKTUCKLSAG-DTWKUNHWSA-N 2 2 236.319 0.381 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353625259 173282600 /nfs/dbraw/zinc/28/26/00/173282600.db2.gz FSJZGKTUCKLSAG-DTWKUNHWSA-N 2 2 236.319 0.381 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000308941283 173283195 /nfs/dbraw/zinc/28/31/95/173283195.db2.gz MGEBCRZZVJUYPP-UTLUCORTSA-N 2 2 213.325 0.051 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000308941283 173283196 /nfs/dbraw/zinc/28/31/96/173283196.db2.gz MGEBCRZZVJUYPP-UTLUCORTSA-N 2 2 213.325 0.051 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000341985074 173283311 /nfs/dbraw/zinc/28/33/11/173283311.db2.gz ZRQIJBWIQICNDZ-NHCYSSNCSA-N 2 2 239.363 0.583 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000341985074 173283312 /nfs/dbraw/zinc/28/33/12/173283312.db2.gz ZRQIJBWIQICNDZ-NHCYSSNCSA-N 2 2 239.363 0.583 20 0 BCADLP CNC(=O)[C@H](C)C[N@H+](C)CCn1cc[nH+]c1 ZINC000131594199 173301059 /nfs/dbraw/zinc/30/10/59/173301059.db2.gz KJOJAHMHYMLHBI-SNVBAGLBSA-N 2 2 224.308 0.197 20 0 BCADLP CNC(=O)[C@H](C)C[N@@H+](C)CCn1cc[nH+]c1 ZINC000131594199 173301060 /nfs/dbraw/zinc/30/10/60/173301060.db2.gz KJOJAHMHYMLHBI-SNVBAGLBSA-N 2 2 224.308 0.197 20 0 BCADLP CNC(=O)[C@]1(C)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000280711082 173308899 /nfs/dbraw/zinc/30/88/99/173308899.db2.gz HNONAMDJABWZOU-GFCCVEGCSA-N 2 2 236.319 0.341 20 0 BCADLP CNC(=O)[C@]1(C)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000280711082 173308900 /nfs/dbraw/zinc/30/89/00/173308900.db2.gz HNONAMDJABWZOU-GFCCVEGCSA-N 2 2 236.319 0.341 20 0 BCADLP CNC(=O)c1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000336621429 173310362 /nfs/dbraw/zinc/31/03/62/173310362.db2.gz BJHKZTUYXUVQHG-ZDUSSCGKSA-N 2 2 247.342 0.969 20 0 BCADLP CNC(=O)c1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000336621429 173310363 /nfs/dbraw/zinc/31/03/63/173310363.db2.gz BJHKZTUYXUVQHG-ZDUSSCGKSA-N 2 2 247.342 0.969 20 0 BCADLP C[NH2+]C1CC[NH+]([C@H](C)C(=O)NCC(C)C)CC1 ZINC000037536889 173323878 /nfs/dbraw/zinc/32/38/78/173323878.db2.gz ZEFIXXINWBTRDG-LLVKDONJSA-N 2 2 241.379 0.831 20 0 BCADLP C[NH2+]C1CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000037536887 173324504 /nfs/dbraw/zinc/32/45/04/173324504.db2.gz PCILWMSGMCSOTC-JTQLQIEISA-N 2 2 241.379 0.973 20 0 BCADLP C[NH2+]CC(=O)NCCCCNc1cccc[nH+]1 ZINC000167228955 173329529 /nfs/dbraw/zinc/32/95/29/173329529.db2.gz JVZOBYHVEZEVRC-UHFFFAOYSA-N 2 2 236.319 0.609 20 0 BCADLP C[NH2+]CCC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000262331611 173340992 /nfs/dbraw/zinc/34/09/92/173340992.db2.gz GTPKRUYRDKNQPQ-UHFFFAOYSA-N 2 2 236.319 0.373 20 0 BCADLP C[NH2+]CCCC(=O)N1CCn2cc[nH+]c2C1 ZINC000062254834 173343631 /nfs/dbraw/zinc/34/36/31/173343631.db2.gz MSNFCSBMVMKEQV-UHFFFAOYSA-N 2 2 222.292 0.225 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000226677644 173367591 /nfs/dbraw/zinc/36/75/91/173367591.db2.gz DJBQJDBYEDGRAF-QWRGUYRKSA-N 2 2 239.363 0.585 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000226677644 173367592 /nfs/dbraw/zinc/36/75/92/173367592.db2.gz DJBQJDBYEDGRAF-QWRGUYRKSA-N 2 2 239.363 0.585 20 0 BCADLP C[NH2+]C[C@@H]1CCCN(Cc2[nH+]ccn2C)C1 ZINC000040600694 173367949 /nfs/dbraw/zinc/36/79/49/173367949.db2.gz CAFTWHLGXRLHEA-NSHDSACASA-N 2 2 222.336 0.852 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000221299090 173371192 /nfs/dbraw/zinc/37/11/92/173371192.db2.gz MIBNADIXQVPBFI-UWVGGRQHSA-N 2 2 225.336 0.195 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000221299090 173371193 /nfs/dbraw/zinc/37/11/93/173371193.db2.gz MIBNADIXQVPBFI-UWVGGRQHSA-N 2 2 225.336 0.195 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC000049306479 173379220 /nfs/dbraw/zinc/37/92/20/173379220.db2.gz HSTOZELPTRGXQX-LLVKDONJSA-N 2 2 239.363 0.539 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC000049306479 173379221 /nfs/dbraw/zinc/37/92/21/173379221.db2.gz HSTOZELPTRGXQX-LLVKDONJSA-N 2 2 239.363 0.539 20 0 BCADLP C[NH2+]C[C@H]1CCCN1Cc1[nH+]ccn1C ZINC000227728435 173380788 /nfs/dbraw/zinc/38/07/88/173380788.db2.gz GGNVAXMWLICPLQ-SNVBAGLBSA-N 2 2 208.309 0.604 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000071146433 173381913 /nfs/dbraw/zinc/38/19/13/173381913.db2.gz WVSIYEFTOMKKBU-LLVKDONJSA-N 2 2 245.330 0.771 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000071146433 173381914 /nfs/dbraw/zinc/38/19/14/173381914.db2.gz WVSIYEFTOMKKBU-LLVKDONJSA-N 2 2 245.330 0.771 20 0 BCADLP COCC[N@H+](C)CC[NH2+]CC(C)(C)COC ZINC000336775855 174277447 /nfs/dbraw/zinc/27/74/47/174277447.db2.gz CWKWGLQAAPBLMR-UHFFFAOYSA-N 2 2 232.368 0.827 20 0 BCADLP COCC[N@@H+](C)CC[NH2+]CC(C)(C)COC ZINC000336775855 174277449 /nfs/dbraw/zinc/27/74/49/174277449.db2.gz CWKWGLQAAPBLMR-UHFFFAOYSA-N 2 2 232.368 0.827 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@H]1CSC[C@@H]1C ZINC000308952023 174279038 /nfs/dbraw/zinc/27/90/38/174279038.db2.gz HRCLQNCNUIDCSO-QWRGUYRKSA-N 2 2 232.393 0.906 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@H]1CSC[C@@H]1C ZINC000308952023 174279039 /nfs/dbraw/zinc/27/90/39/174279039.db2.gz HRCLQNCNUIDCSO-QWRGUYRKSA-N 2 2 232.393 0.906 20 0 BCADLP COCC[N@H+](C)CCNc1cc[nH+]c(C)n1 ZINC000061379477 174279074 /nfs/dbraw/zinc/27/90/74/174279074.db2.gz ZJIQSTMQPYCUNZ-UHFFFAOYSA-N 2 2 224.308 0.775 20 0 BCADLP COCC[N@@H+](C)CCNc1cc[nH+]c(C)n1 ZINC000061379477 174279076 /nfs/dbraw/zinc/27/90/76/174279076.db2.gz ZJIQSTMQPYCUNZ-UHFFFAOYSA-N 2 2 224.308 0.775 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@H](C)C(C)(C)OC ZINC000300971791 174279817 /nfs/dbraw/zinc/27/98/17/174279817.db2.gz JILMVVQHSJJSQH-LLVKDONJSA-N 2 2 232.368 0.968 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@H](C)C(C)(C)OC ZINC000300971791 174279818 /nfs/dbraw/zinc/27/98/18/174279818.db2.gz JILMVVQHSJJSQH-LLVKDONJSA-N 2 2 232.368 0.968 20 0 BCADLP COCC[NH+](CCOC)C[C@H]([NH3+])CC(C)C ZINC000042443000 174295772 /nfs/dbraw/zinc/29/57/72/174295772.db2.gz FSVJSFMVOWYMGH-GFCCVEGCSA-N 2 2 232.368 0.955 20 0 BCADLP COCC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000336722839 174297839 /nfs/dbraw/zinc/29/78/39/174297839.db2.gz TWCZIAYUKALNMB-ZDUSSCGKSA-N 2 2 242.363 0.552 20 0 BCADLP COCC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000336722839 174297840 /nfs/dbraw/zinc/29/78/40/174297840.db2.gz TWCZIAYUKALNMB-ZDUSSCGKSA-N 2 2 242.363 0.552 20 0 BCADLP COCC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000336722839 174297841 /nfs/dbraw/zinc/29/78/41/174297841.db2.gz TWCZIAYUKALNMB-ZDUSSCGKSA-N 2 2 242.363 0.552 20 0 BCADLP COCC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000336722839 174297842 /nfs/dbraw/zinc/29/78/42/174297842.db2.gz TWCZIAYUKALNMB-ZDUSSCGKSA-N 2 2 242.363 0.552 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000328205532 174312910 /nfs/dbraw/zinc/31/29/10/174312910.db2.gz TYGFNQALNSQVKN-QWHCGFSZSA-N 2 2 242.363 0.723 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000328205532 174312911 /nfs/dbraw/zinc/31/29/11/174312911.db2.gz TYGFNQALNSQVKN-QWHCGFSZSA-N 2 2 242.363 0.723 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CC[C@H](C)OC)C1 ZINC000336777705 174313572 /nfs/dbraw/zinc/31/35/72/174313572.db2.gz JHHKGZAZMXSNFG-NWDGAFQWSA-N 2 2 230.352 0.722 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+]CC[C@H](C)OC)C1 ZINC000336777705 174313574 /nfs/dbraw/zinc/31/35/74/174313574.db2.gz JHHKGZAZMXSNFG-NWDGAFQWSA-N 2 2 230.352 0.722 20 0 BCADLP COCC[NH2+]CC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000053388751 174333767 /nfs/dbraw/zinc/33/37/67/174333767.db2.gz REFRDRBHLUBMIR-WDEREUQCSA-N 2 2 216.325 0.380 20 0 BCADLP COCCOCCC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336775148 174350650 /nfs/dbraw/zinc/35/06/50/174350650.db2.gz YEYDUANCMMXFQG-NWDGAFQWSA-N 2 2 230.352 0.579 20 0 BCADLP COCCOCCC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336775148 174350653 /nfs/dbraw/zinc/35/06/53/174350653.db2.gz YEYDUANCMMXFQG-NWDGAFQWSA-N 2 2 230.352 0.579 20 0 BCADLP COCC[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000082668955 174382934 /nfs/dbraw/zinc/38/29/34/174382934.db2.gz FIYAIIZSMNRWPI-VXGBXAGGSA-N 2 2 229.368 0.247 20 0 BCADLP COCC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000082668955 174382937 /nfs/dbraw/zinc/38/29/37/174382937.db2.gz FIYAIIZSMNRWPI-VXGBXAGGSA-N 2 2 229.368 0.247 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCC(=O)N(C)C)C1 ZINC000401640265 487629102 /nfs/dbraw/zinc/62/91/02/487629102.db2.gz GXJPQWPYXWILKB-VHSXEESVSA-N 2 2 213.325 0.052 20 0 BCADLP COc1cccc([C@@H](CNC(N)=[NH2+])[NH+](C)C)c1 ZINC000053278640 175287485 /nfs/dbraw/zinc/28/74/85/175287485.db2.gz ISVUEFHMHORDCB-LLVKDONJSA-N 2 2 236.319 0.781 20 0 BCADLP COc1cccc([C@H](CNC(N)=[NH2+])[NH+](C)C)c1 ZINC000053278638 175294052 /nfs/dbraw/zinc/29/40/52/175294052.db2.gz ISVUEFHMHORDCB-NSHDSACASA-N 2 2 236.319 0.781 20 0 BCADLP COc1ccnc(-n2cc[nH+]c2CC[NH3+])n1 ZINC000052304372 175356910 /nfs/dbraw/zinc/35/69/10/175356910.db2.gz GTDAIVWVHSTADG-UHFFFAOYSA-N 2 2 219.248 0.172 20 0 BCADLP CC(C)COCC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000232670387 487630479 /nfs/dbraw/zinc/63/04/79/487630479.db2.gz GHWIUFJBXRWIFT-NEPJUHHUSA-N 2 2 230.352 0.707 20 0 BCADLP CC(C)COCC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000232670387 487630481 /nfs/dbraw/zinc/63/04/81/487630481.db2.gz GHWIUFJBXRWIFT-NEPJUHHUSA-N 2 2 230.352 0.707 20 0 BCADLP COc1cc[nH+]cc1NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188748712 175375224 /nfs/dbraw/zinc/37/52/24/175375224.db2.gz NKULBJCXOBQZTB-JGVFFNPUSA-N 2 2 239.250 0.729 20 0 BCADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cncnc1 ZINC000054768132 175671782 /nfs/dbraw/zinc/67/17/82/175671782.db2.gz JMETYBAYOVMOPS-JTQLQIEISA-N 2 2 208.309 0.906 20 0 BCADLP C[C@@H]1CC[N@@H+](CCN2CCOCC2)[C@H](C[NH3+])C1 ZINC000111679906 176169322 /nfs/dbraw/zinc/16/93/22/176169322.db2.gz VPBLQVOFGMYBTD-OLZOCXBDSA-N 2 2 241.379 0.378 20 0 BCADLP C[C@@H]1CCN(CC[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000111679906 176169317 /nfs/dbraw/zinc/16/93/17/176169317.db2.gz VPBLQVOFGMYBTD-OLZOCXBDSA-N 2 2 241.379 0.378 20 0 BCADLP C[C@@H]1CC[N@H+](CCN2CCOCC2)[C@H](C[NH3+])C1 ZINC000111679906 176169320 /nfs/dbraw/zinc/16/93/20/176169320.db2.gz VPBLQVOFGMYBTD-OLZOCXBDSA-N 2 2 241.379 0.378 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000376909301 176185302 /nfs/dbraw/zinc/18/53/02/176185302.db2.gz UXVVBCNURFAAOV-HLTSFMKQSA-N 2 2 247.289 0.098 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccnn1C ZINC000334865443 176186185 /nfs/dbraw/zinc/18/61/85/176186185.db2.gz SZNJDTUXAKHLMJ-MWLCHTKSSA-N 2 2 208.309 0.508 20 0 BCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[NH2+]1 ZINC000083814224 176246597 /nfs/dbraw/zinc/24/65/97/176246597.db2.gz WOIXLCCKKGRVKF-SNVBAGLBSA-N 2 2 222.292 0.094 20 0 BCADLP C[C@@H]1C[N@H+](C)CCN1CCn1cc[nH+]c1 ZINC000336647298 176266775 /nfs/dbraw/zinc/26/67/75/176266775.db2.gz LZBGINPYNVQRKV-LLVKDONJSA-N 2 2 208.309 0.519 20 0 BCADLP C[C@@H]1C[N@@H+](C)CCN1CCn1cc[nH+]c1 ZINC000336647298 176266776 /nfs/dbraw/zinc/26/67/76/176266776.db2.gz LZBGINPYNVQRKV-LLVKDONJSA-N 2 2 208.309 0.519 20 0 BCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1([S@](C)=O)CC1 ZINC000336775972 176271486 /nfs/dbraw/zinc/27/14/86/176271486.db2.gz DGKSTZAZWYJYIO-UVWXRNBGSA-N 2 2 244.404 0.827 20 0 BCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1([S@](C)=O)CC1 ZINC000336775972 176271487 /nfs/dbraw/zinc/27/14/87/176271487.db2.gz DGKSTZAZWYJYIO-UVWXRNBGSA-N 2 2 244.404 0.827 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000336777716 176271879 /nfs/dbraw/zinc/27/18/79/176271879.db2.gz JIEFUJYDPPAGEF-NEPJUHHUSA-N 3 2 229.368 0.104 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000336777716 176271880 /nfs/dbraw/zinc/27/18/80/176271880.db2.gz JIEFUJYDPPAGEF-NEPJUHHUSA-N 3 2 229.368 0.104 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccn(C)n1 ZINC000336779655 176273200 /nfs/dbraw/zinc/27/32/00/176273200.db2.gz PASRAPZNLUOAKH-PWSUYJOCSA-N 2 2 222.336 0.502 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccn(C)n1 ZINC000336779655 176273201 /nfs/dbraw/zinc/27/32/01/176273201.db2.gz PASRAPZNLUOAKH-PWSUYJOCSA-N 2 2 222.336 0.502 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCSCCCO ZINC000336768393 176276716 /nfs/dbraw/zinc/27/67/16/176276716.db2.gz UPZNUWJMPIDJDN-GHMZBOCLSA-N 2 2 232.393 0.642 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCSCCCO ZINC000336768393 176276717 /nfs/dbraw/zinc/27/67/17/176276717.db2.gz UPZNUWJMPIDJDN-GHMZBOCLSA-N 2 2 232.393 0.642 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCCO ZINC000336760016 176282216 /nfs/dbraw/zinc/28/22/16/176282216.db2.gz LVSOHSGUYKMROU-PWSUYJOCSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCCO ZINC000336760016 176282217 /nfs/dbraw/zinc/28/22/17/176282217.db2.gz LVSOHSGUYKMROU-PWSUYJOCSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@H]1CO ZINC000190912627 176289781 /nfs/dbraw/zinc/28/97/81/176289781.db2.gz PWKNSFKPLTZCKM-NEPJUHHUSA-N 2 2 223.320 0.833 20 0 BCADLP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@H]1CO ZINC000190912627 176289783 /nfs/dbraw/zinc/28/97/83/176289783.db2.gz PWKNSFKPLTZCKM-NEPJUHHUSA-N 2 2 223.320 0.833 20 0 BCADLP C[C@@H]1C[N@H+](Cc2ccnn2C)CC[C@H]1[NH3+] ZINC000251684672 176308800 /nfs/dbraw/zinc/30/88/00/176308800.db2.gz HZEXWUFMKGSUIZ-MWLCHTKSSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2ccnn2C)CC[C@H]1[NH3+] ZINC000251684672 176308801 /nfs/dbraw/zinc/30/88/01/176308801.db2.gz HZEXWUFMKGSUIZ-MWLCHTKSSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@@H]1C[N@H+](Cc2cn3cccnc3n2)CC[C@@H]1[NH3+] ZINC000094341274 176308851 /nfs/dbraw/zinc/30/88/51/176308851.db2.gz VDOHBKSYMKKECZ-PWSUYJOCSA-N 2 2 245.330 0.898 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2cn3cccnc3n2)CC[C@@H]1[NH3+] ZINC000094341274 176308852 /nfs/dbraw/zinc/30/88/52/176308852.db2.gz VDOHBKSYMKKECZ-PWSUYJOCSA-N 2 2 245.330 0.898 20 0 BCADLP C[C@@H]1C[N@H+](Cc2nccn2C)C[C@@]1(C)C[NH3+] ZINC000309457965 176311342 /nfs/dbraw/zinc/31/13/42/176311342.db2.gz SYIJTVDWQUCQFJ-ZYHUDNBSSA-N 2 2 222.336 0.837 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2nccn2C)C[C@@]1(C)C[NH3+] ZINC000309457965 176311343 /nfs/dbraw/zinc/31/13/43/176311343.db2.gz SYIJTVDWQUCQFJ-ZYHUDNBSSA-N 2 2 222.336 0.837 20 0 BCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nnnn1C1CC1 ZINC000131642752 176368400 /nfs/dbraw/zinc/36/84/00/176368400.db2.gz OTIUKEQCTVRRKN-BDAKNGLRSA-N 2 2 236.323 0.177 20 0 BCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nnnn1C1CC1 ZINC000131642752 176368401 /nfs/dbraw/zinc/36/84/01/176368401.db2.gz OTIUKEQCTVRRKN-BDAKNGLRSA-N 2 2 236.323 0.177 20 0 BCADLP C[C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[NH2+]1 ZINC000235356402 176372424 /nfs/dbraw/zinc/37/24/24/176372424.db2.gz UMNRJFBYCQJFAC-MNOVXSKESA-N 2 2 236.319 0.530 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(C)C2=O)CC[N@@H+]1C ZINC000361965811 176378721 /nfs/dbraw/zinc/37/87/21/176378721.db2.gz DUVXTGJMXXNJHP-WOPDTQHZSA-N 2 2 239.363 0.680 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(C)C2=O)CC[N@H+]1C ZINC000361965811 176378723 /nfs/dbraw/zinc/37/87/23/176378723.db2.gz DUVXTGJMXXNJHP-WOPDTQHZSA-N 2 2 239.363 0.680 20 0 BCADLP C[C@H](c1nnnn1C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000189785073 177054971 /nfs/dbraw/zinc/05/49/71/177054971.db2.gz JTZZNJQTMBJVRM-SNVBAGLBSA-N 2 2 249.322 0.490 20 0 BCADLP C[C@H](c1nnnn1C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000189785073 177054973 /nfs/dbraw/zinc/05/49/73/177054973.db2.gz JTZZNJQTMBJVRM-SNVBAGLBSA-N 2 2 249.322 0.490 20 0 BCADLP C[C@H]1CCC[N@H+](Cc2cnn(C)c2)[C@H]1C[NH3+] ZINC000251564495 177101558 /nfs/dbraw/zinc/10/15/58/177101558.db2.gz ALGNDDVUKMHADL-JQWIXIFHSA-N 2 2 222.336 0.979 20 0 BCADLP C[C@H]1CCC[N@@H+](Cc2cnn(C)c2)[C@H]1C[NH3+] ZINC000251564495 177101559 /nfs/dbraw/zinc/10/15/59/177101559.db2.gz ALGNDDVUKMHADL-JQWIXIFHSA-N 2 2 222.336 0.979 20 0 BCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000120123396 177186548 /nfs/dbraw/zinc/18/65/48/177186548.db2.gz NBAAHHHYJDJAQG-TXEJJXNPSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000120123396 177186549 /nfs/dbraw/zinc/18/65/49/177186549.db2.gz NBAAHHHYJDJAQG-TXEJJXNPSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000362764517 177235819 /nfs/dbraw/zinc/23/58/19/177235819.db2.gz CDNZTKNTLXIJCV-UWVGGRQHSA-N 2 2 236.319 0.266 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000362764517 177235820 /nfs/dbraw/zinc/23/58/20/177235820.db2.gz CDNZTKNTLXIJCV-UWVGGRQHSA-N 2 2 236.319 0.266 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000362819322 177235855 /nfs/dbraw/zinc/23/58/55/177235855.db2.gz FCQMIROKNZNRCY-WPRPVWTQSA-N 2 2 222.292 0.224 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000362819322 177235857 /nfs/dbraw/zinc/23/58/57/177235857.db2.gz FCQMIROKNZNRCY-WPRPVWTQSA-N 2 2 222.292 0.224 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000362819322 177235859 /nfs/dbraw/zinc/23/58/59/177235859.db2.gz FCQMIROKNZNRCY-WPRPVWTQSA-N 2 2 222.292 0.224 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000362819322 177235860 /nfs/dbraw/zinc/23/58/60/177235860.db2.gz FCQMIROKNZNRCY-WPRPVWTQSA-N 2 2 222.292 0.224 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000358078397 177236259 /nfs/dbraw/zinc/23/62/59/177236259.db2.gz BVJMOXXGGHVDBP-GWCFXTLKSA-N 2 2 247.342 0.825 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000358078397 177236261 /nfs/dbraw/zinc/23/62/61/177236261.db2.gz BVJMOXXGGHVDBP-GWCFXTLKSA-N 2 2 247.342 0.825 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC1CC(O)C1 ZINC000336753354 177236373 /nfs/dbraw/zinc/23/63/73/177236373.db2.gz HPCIFXATYJYIOA-XKGSQUFQSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC1CC(O)C1 ZINC000336753354 177236375 /nfs/dbraw/zinc/23/63/75/177236375.db2.gz HPCIFXATYJYIOA-XKGSQUFQSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(CO)CCOCC1 ZINC000358346210 177236390 /nfs/dbraw/zinc/23/63/90/177236390.db2.gz BCWGVDKIRWFHCC-RYUDHWBXSA-N 2 2 242.363 0.315 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(CO)CCOCC1 ZINC000358346210 177236391 /nfs/dbraw/zinc/23/63/91/177236391.db2.gz BCWGVDKIRWFHCC-RYUDHWBXSA-N 2 2 242.363 0.315 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCC(O)CC1 ZINC000309105279 177236765 /nfs/dbraw/zinc/23/67/65/177236765.db2.gz HQOWUKLADLOCDL-XKGSQUFQSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCC(O)CC1 ZINC000309105279 177236767 /nfs/dbraw/zinc/23/67/67/177236767.db2.gz HQOWUKLADLOCDL-XKGSQUFQSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H]1CN(C)C[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000335605723 177237568 /nfs/dbraw/zinc/23/75/68/177237568.db2.gz GBXZXONWRDBNPX-CMPLNLGQSA-N 2 2 211.353 0.620 20 0 BCADLP C[C@@H]1C[NH+](C)CCN1CC[N@@H+]1CCO[C@@H](C)C1 ZINC000337247689 177251332 /nfs/dbraw/zinc/25/13/32/177251332.db2.gz KJXHAAPYTKICAX-OLZOCXBDSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1C[NH+](C)CCN1CC[N@H+]1CCO[C@@H](C)C1 ZINC000337247689 177251334 /nfs/dbraw/zinc/25/13/34/177251334.db2.gz KJXHAAPYTKICAX-OLZOCXBDSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1C[N@@H+](C)CCN1CC[NH+]1CCO[C@@H](C)C1 ZINC000337247689 177251335 /nfs/dbraw/zinc/25/13/35/177251335.db2.gz KJXHAAPYTKICAX-OLZOCXBDSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1C[N@H+](C)CCN1CC[NH+]1CCO[C@@H](C)C1 ZINC000337247689 177251337 /nfs/dbraw/zinc/25/13/37/177251337.db2.gz KJXHAAPYTKICAX-OLZOCXBDSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@H]1C[N@H+](Cc2cn3cccnc3n2)CC[C@@H]1[NH3+] ZINC000094341275 177269775 /nfs/dbraw/zinc/26/97/75/177269775.db2.gz VDOHBKSYMKKECZ-JQWIXIFHSA-N 2 2 245.330 0.898 20 0 BCADLP C[C@H]1C[N@@H+](Cc2cn3cccnc3n2)CC[C@@H]1[NH3+] ZINC000094341275 177269777 /nfs/dbraw/zinc/26/97/77/177269777.db2.gz VDOHBKSYMKKECZ-JQWIXIFHSA-N 2 2 245.330 0.898 20 0 BCADLP C[C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[NH2+]1 ZINC000235663975 177329094 /nfs/dbraw/zinc/32/90/94/177329094.db2.gz UMNRJFBYCQJFAC-QWRGUYRKSA-N 2 2 236.319 0.530 20 0 BCADLP C[C@H](CCO)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000127212906 177333396 /nfs/dbraw/zinc/33/33/96/177333396.db2.gz HEMLMDNVSACFGD-OUAUKWLOSA-N 2 2 212.337 0.972 20 0 BCADLP C[C@H](CCO)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000127212906 177333397 /nfs/dbraw/zinc/33/33/97/177333397.db2.gz HEMLMDNVSACFGD-OUAUKWLOSA-N 2 2 212.337 0.972 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000342716612 177395409 /nfs/dbraw/zinc/39/54/09/177395409.db2.gz DCMFTBLLXHYIPJ-ZJUUUORDSA-N 2 2 236.319 0.457 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCOC[C@H]1CCOC1 ZINC000674882777 487643460 /nfs/dbraw/zinc/64/34/60/487643460.db2.gz YNQYGJPUKIIRHN-FRRDWIJNSA-N 2 2 242.363 0.579 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCOC[C@H]1CCOC1 ZINC000674882777 487643466 /nfs/dbraw/zinc/64/34/66/487643466.db2.gz YNQYGJPUKIIRHN-FRRDWIJNSA-N 2 2 242.363 0.579 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC000328282981 487644430 /nfs/dbraw/zinc/64/44/30/487644430.db2.gz SJVAICMXYAJLIW-GHMZBOCLSA-N 2 2 216.325 0.068 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC000328282981 487644433 /nfs/dbraw/zinc/64/44/33/487644433.db2.gz SJVAICMXYAJLIW-GHMZBOCLSA-N 2 2 216.325 0.068 20 0 BCADLP O=C(C=Cc1c[nH]c[nH+]1)NCC[NH+]1CCC1 ZINC000492899402 226078478 /nfs/dbraw/zinc/07/84/78/226078478.db2.gz MGBTZURYOWVCSD-NSCUHMNNSA-N 2 2 220.276 0.245 20 0 BCADLP C[C@@H]1C[NH+]=C(NC(=O)/C=C\C[NH+](C)C)S1 ZINC000493296928 226179473 /nfs/dbraw/zinc/17/94/73/226179473.db2.gz WRHYHGWUVBUREL-PULIVWKDSA-N 2 2 227.333 0.712 20 0 BCADLP O=C(C=Cc1c[nH]c[nH+]1)N1CC[NH+]2CCC1CC2 ZINC000493088820 226123276 /nfs/dbraw/zinc/12/32/76/226123276.db2.gz VCCLYTLUQPTMLU-UPHRSURJSA-N 2 2 246.314 0.730 20 0 BCADLP C[NH+](C)C1(CNC(=O)/C=C\c2[nH]cc[nH+]2)CC1 ZINC000493122805 226133599 /nfs/dbraw/zinc/13/35/99/226133599.db2.gz UNJUNJFHACTQFH-ARJAWSKDSA-N 2 2 234.303 0.633 20 0 BCADLP C[NH+](C)CCCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493265380 226170090 /nfs/dbraw/zinc/17/00/90/226170090.db2.gz GNCIHDSIDVIERG-AATRIKPKSA-N 2 2 236.319 0.881 20 0 BCADLP CN1C[C@@H](C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)OC1=O ZINC000496434857 226304902 /nfs/dbraw/zinc/30/49/02/226304902.db2.gz FSWHYJKNAXAXOX-QWRGUYRKSA-N 2 2 241.335 0.321 20 0 BCADLP CN1C[C@@H](C[N@H+]2CC[C@@H](C[NH+](C)C)C2)OC1=O ZINC000496434857 226304903 /nfs/dbraw/zinc/30/49/03/226304903.db2.gz FSWHYJKNAXAXOX-QWRGUYRKSA-N 2 2 241.335 0.321 20 0 BCADLP Cc1n[nH]cc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400405064 226342892 /nfs/dbraw/zinc/34/28/92/226342892.db2.gz RBFJWDWSQCGXHF-GXSJLCMTSA-N 2 2 208.309 0.948 20 0 BCADLP C[N@H+](CCOCC1CC1)C[C@@H]1C[NH2+]CCO1 ZINC000087399724 487652849 /nfs/dbraw/zinc/65/28/49/487652849.db2.gz MBRGRRRMHMYVHH-LBPRGKRZSA-N 2 2 228.336 0.333 20 0 BCADLP C[N@@H+](CCOCC1CC1)C[C@@H]1C[NH2+]CCO1 ZINC000087399724 487652854 /nfs/dbraw/zinc/65/28/54/487652854.db2.gz MBRGRRRMHMYVHH-LBPRGKRZSA-N 2 2 228.336 0.333 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000314963059 487669051 /nfs/dbraw/zinc/66/90/51/487669051.db2.gz VSHNWRFMANKPET-JQWIXIFHSA-N 3 2 222.336 0.774 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCCc1c[nH+]cn1C ZINC000314963059 487669055 /nfs/dbraw/zinc/66/90/55/487669055.db2.gz VSHNWRFMANKPET-JQWIXIFHSA-N 3 2 222.336 0.774 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)N(C)C)C1 ZINC000328398648 487674955 /nfs/dbraw/zinc/67/49/55/487674955.db2.gz ZMTGAUOKWWOOTE-NEPJUHHUSA-N 2 2 241.379 0.927 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)N(C)C)C1 ZINC000328398648 487674962 /nfs/dbraw/zinc/67/49/62/487674962.db2.gz ZMTGAUOKWWOOTE-NEPJUHHUSA-N 2 2 241.379 0.927 20 0 BCADLP C[C@@H](N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1(C)CC1 ZINC000653103565 487678400 /nfs/dbraw/zinc/67/84/00/487678400.db2.gz MADGLPPHFNHJHA-MNOVXSKESA-N 2 2 241.379 0.912 20 0 BCADLP CC(C)[C@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653103864 487679162 /nfs/dbraw/zinc/67/91/62/487679162.db2.gz VMTFCEZOUQPQMN-RYUDHWBXSA-N 2 2 241.379 0.770 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1COC1 ZINC000528024098 262902292 /nfs/dbraw/zinc/90/22/92/262902292.db2.gz FMFUFAYPSOAZGQ-BXKDBHETSA-N 2 2 210.321 0.705 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1COC1 ZINC000528024098 262902293 /nfs/dbraw/zinc/90/22/93/262902293.db2.gz FMFUFAYPSOAZGQ-BXKDBHETSA-N 2 2 210.321 0.705 20 0 BCADLP CCN(C)C(=O)[C@@H](C)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903926584 584824346 /nfs/dbraw/zinc/82/43/46/584824346.db2.gz MQRDELYQIRODRV-HTQZYQBOSA-N 2 2 237.294 0.425 20 0 BCADLP C[N@@H+](C[C@H]1C[NH2+]CCO1)C[C@@H]1CCCCO1 ZINC000250365420 487730097 /nfs/dbraw/zinc/73/00/97/487730097.db2.gz FSKFQXVLMVMAEA-NWDGAFQWSA-N 2 2 228.336 0.476 20 0 BCADLP C[N@H+](C[C@H]1C[NH2+]CCO1)C[C@@H]1CCCCO1 ZINC000250365420 487730103 /nfs/dbraw/zinc/73/01/03/487730103.db2.gz FSKFQXVLMVMAEA-NWDGAFQWSA-N 2 2 228.336 0.476 20 0 BCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC=CCC2)[C@H](C[NH3+])C1 ZINC000250418646 487732084 /nfs/dbraw/zinc/73/20/84/487732084.db2.gz YNUWPRZIOVLLFY-VXGBXAGGSA-N 2 2 237.347 0.444 20 0 BCADLP C[C@@H](C[NH2+]Cc1ncnn1C)C[NH+]1CCCC1 ZINC000088572213 487734565 /nfs/dbraw/zinc/73/45/65/487734565.db2.gz QYAVZBSJGISZBE-NSHDSACASA-N 2 2 237.351 0.637 20 0 BCADLP C[C@@H](C(=O)NCc1ccn2cc[nH+]c2c1)[NH+](C)C ZINC000675605675 487752231 /nfs/dbraw/zinc/75/22/31/487752231.db2.gz VLKPWIBOJCFTFM-JTQLQIEISA-N 2 2 246.314 0.901 20 0 BCADLP C[N@@H+]1CCN(C(=O)C[C@@H]2C=CCC2)[C@@H](C[NH3+])C1 ZINC000226611119 487767288 /nfs/dbraw/zinc/76/72/88/487767288.db2.gz IVNZLBRMUIKNDD-NEPJUHHUSA-N 2 2 237.347 0.444 20 0 BCADLP C[N@H+]1CCN(C(=O)C[C@@H]2C=CCC2)[C@@H](C[NH3+])C1 ZINC000226611119 487767294 /nfs/dbraw/zinc/76/72/94/487767294.db2.gz IVNZLBRMUIKNDD-NEPJUHHUSA-N 2 2 237.347 0.444 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000675784744 487778658 /nfs/dbraw/zinc/77/86/58/487778658.db2.gz KXQOLNOQWAZWBU-IJLUTSLNSA-N 2 2 249.362 0.881 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000675784744 487778662 /nfs/dbraw/zinc/77/86/62/487778662.db2.gz KXQOLNOQWAZWBU-IJLUTSLNSA-N 2 2 249.362 0.881 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000675784747 487778812 /nfs/dbraw/zinc/77/88/12/487778812.db2.gz KXQOLNOQWAZWBU-UTUOFQBUSA-N 2 2 249.362 0.881 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000675784747 487778816 /nfs/dbraw/zinc/77/88/16/487778816.db2.gz KXQOLNOQWAZWBU-UTUOFQBUSA-N 2 2 249.362 0.881 20 0 BCADLP C[C@@H](C(=O)N1CC(n2cc[nH+]c2)C1)[NH+](C)C ZINC000674289013 487780123 /nfs/dbraw/zinc/78/01/23/487780123.db2.gz WKQADCFNODBRFR-VIFPVBQESA-N 2 2 222.292 0.217 20 0 BCADLP O=C1NCCC[C@H]1[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000675958849 487796962 /nfs/dbraw/zinc/79/69/62/487796962.db2.gz CMPNUPKDGDBPDA-VXGBXAGGSA-N 2 2 248.330 0.799 20 0 BCADLP O=C1NCCC[C@H]1[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000675958849 487796966 /nfs/dbraw/zinc/79/69/66/487796966.db2.gz CMPNUPKDGDBPDA-VXGBXAGGSA-N 2 2 248.330 0.799 20 0 BCADLP O=C1NCCC[C@H]1[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000675958847 487797034 /nfs/dbraw/zinc/79/70/34/487797034.db2.gz CMPNUPKDGDBPDA-NWDGAFQWSA-N 2 2 248.330 0.799 20 0 BCADLP O=C1NCCC[C@H]1[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000675958847 487797038 /nfs/dbraw/zinc/79/70/38/487797038.db2.gz CMPNUPKDGDBPDA-NWDGAFQWSA-N 2 2 248.330 0.799 20 0 BCADLP CC[C@@H](C)C[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000251837659 487801729 /nfs/dbraw/zinc/80/17/29/487801729.db2.gz KZHZAYMJBSYDJT-GHMZBOCLSA-N 2 2 200.326 0.953 20 0 BCADLP CC[C@@H](C)C[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000251837659 487801733 /nfs/dbraw/zinc/80/17/33/487801733.db2.gz KZHZAYMJBSYDJT-GHMZBOCLSA-N 2 2 200.326 0.953 20 0 BCADLP CC[C@H](C)C[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000251837660 487801675 /nfs/dbraw/zinc/80/16/75/487801675.db2.gz KZHZAYMJBSYDJT-WDEREUQCSA-N 2 2 200.326 0.953 20 0 BCADLP CC[C@H](C)C[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000251837660 487801680 /nfs/dbraw/zinc/80/16/80/487801680.db2.gz KZHZAYMJBSYDJT-WDEREUQCSA-N 2 2 200.326 0.953 20 0 BCADLP C[C@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)CCCO1 ZINC000251843720 487803029 /nfs/dbraw/zinc/80/30/29/487803029.db2.gz QSYNFAZARYNAOR-WDEREUQCSA-N 2 2 214.309 0.086 20 0 BCADLP C[C@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)CCCO1 ZINC000251843720 487803035 /nfs/dbraw/zinc/80/30/35/487803035.db2.gz QSYNFAZARYNAOR-WDEREUQCSA-N 2 2 214.309 0.086 20 0 BCADLP CC[C@H]1C[N@H+](CC(=O)NCC(C)C)CC[C@H]1[NH3+] ZINC000251877230 487804884 /nfs/dbraw/zinc/80/48/84/487804884.db2.gz UXMFQEXNBDGNBW-NWDGAFQWSA-N 2 2 241.379 0.818 20 0 BCADLP CC[C@H]1C[N@@H+](CC(=O)NCC(C)C)CC[C@H]1[NH3+] ZINC000251877230 487804887 /nfs/dbraw/zinc/80/48/87/487804887.db2.gz UXMFQEXNBDGNBW-NWDGAFQWSA-N 2 2 241.379 0.818 20 0 BCADLP CC(C)[C@H]1CN(Cc2[nH+]ccn2C)CC[NH2+]1 ZINC000083084386 487808044 /nfs/dbraw/zinc/80/80/44/487808044.db2.gz JIKKYZRECSTLAB-LLVKDONJSA-N 2 2 222.336 0.850 20 0 BCADLP C[C@H]1CCC[N@H+](CC(=O)N2CCCC2)[C@H]1C[NH3+] ZINC000252198320 487821372 /nfs/dbraw/zinc/82/13/72/487821372.db2.gz SSPZDWNISDDIQW-RYUDHWBXSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@H]1CCC[N@@H+](CC(=O)N2CCCC2)[C@H]1C[NH3+] ZINC000252198320 487821375 /nfs/dbraw/zinc/82/13/75/487821375.db2.gz SSPZDWNISDDIQW-RYUDHWBXSA-N 2 2 239.363 0.668 20 0 BCADLP Cn1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)nn1 ZINC000671760111 487829497 /nfs/dbraw/zinc/82/94/97/487829497.db2.gz DXAZLPHWOMWLSP-AGIUHOORSA-N 2 2 249.362 0.778 20 0 BCADLP Cn1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)nn1 ZINC000671760111 487829502 /nfs/dbraw/zinc/82/95/02/487829502.db2.gz DXAZLPHWOMWLSP-AGIUHOORSA-N 2 2 249.362 0.778 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCOC1 ZINC000252746472 487833884 /nfs/dbraw/zinc/83/38/84/487833884.db2.gz QMUBKIZXGIQVKF-CKYFFXLPSA-N 2 2 210.321 0.848 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCOC1 ZINC000252746472 487833890 /nfs/dbraw/zinc/83/38/90/487833890.db2.gz QMUBKIZXGIQVKF-CKYFFXLPSA-N 2 2 210.321 0.848 20 0 BCADLP C[NH+](C)CC(C)(C)[NH2+]C[C@@H]1CNC(=O)C1 ZINC000852155208 588667947 /nfs/dbraw/zinc/66/79/47/588667947.db2.gz BBBNTVONVNAKPO-VIFPVBQESA-N 2 2 213.325 0.052 20 0 BCADLP C[N@@H+](Cc1ccc(C(N)=O)cc1)CC1C[NH+](C)C1 ZINC000668537229 487901237 /nfs/dbraw/zinc/90/12/37/487901237.db2.gz BVTLQENRLOHPCV-UHFFFAOYSA-N 2 2 247.342 0.779 20 0 BCADLP C[N@H+](Cc1ccc(C(N)=O)cc1)CC1C[NH+](C)C1 ZINC000668537229 487901242 /nfs/dbraw/zinc/90/12/42/487901242.db2.gz BVTLQENRLOHPCV-UHFFFAOYSA-N 2 2 247.342 0.779 20 0 BCADLP C([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1nc2c(s1)CCC2 ZINC000666939745 487908725 /nfs/dbraw/zinc/90/87/25/487908725.db2.gz JHDLZDPWONJSLA-JDICNCQASA-N 2 2 235.356 0.939 20 0 BCADLP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666945174 487909727 /nfs/dbraw/zinc/90/97/27/487909727.db2.gz BKHJTRFURFTFLL-UWVGGRQHSA-N 2 2 226.299 0.816 20 0 BCADLP C[C@H]1C[N@H+](Cc2cc3n(n2)CCC3)CC[C@H]1[NH3+] ZINC000652335885 487924519 /nfs/dbraw/zinc/92/45/19/487924519.db2.gz NZWOZJHBSGELIW-GXFFZTMASA-N 2 2 234.347 0.998 20 0 BCADLP C[C@H]1C[N@@H+](Cc2cc3n(n2)CCC3)CC[C@H]1[NH3+] ZINC000652335885 487924521 /nfs/dbraw/zinc/92/45/21/487924521.db2.gz NZWOZJHBSGELIW-GXFFZTMASA-N 2 2 234.347 0.998 20 0 BCADLP C[C@H]1C[N@H+](Cc2cc3n(n2)CCC3)CC[C@@H]1[NH3+] ZINC000652335884 487924682 /nfs/dbraw/zinc/92/46/82/487924682.db2.gz NZWOZJHBSGELIW-GWCFXTLKSA-N 2 2 234.347 0.998 20 0 BCADLP C[C@H]1C[N@@H+](Cc2cc3n(n2)CCC3)CC[C@@H]1[NH3+] ZINC000652335884 487924686 /nfs/dbraw/zinc/92/46/86/487924686.db2.gz NZWOZJHBSGELIW-GWCFXTLKSA-N 2 2 234.347 0.998 20 0 BCADLP NC(=O)C[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000676881309 487938312 /nfs/dbraw/zinc/93/83/12/487938312.db2.gz SDEUDRDUAAHZAR-LLVKDONJSA-N 2 2 236.319 0.471 20 0 BCADLP NC(=O)C[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000676881309 487938314 /nfs/dbraw/zinc/93/83/14/487938314.db2.gz SDEUDRDUAAHZAR-LLVKDONJSA-N 2 2 236.319 0.471 20 0 BCADLP Cc1nnsc1C[NH2+]CC1([NH3+])CCC1 ZINC000384285366 487938870 /nfs/dbraw/zinc/93/88/70/487938870.db2.gz VHCSPJISWSIQMF-UHFFFAOYSA-N 2 2 212.322 0.818 20 0 BCADLP [NH3+]CC[N@H+](CCO)Cc1ccnc2ccccc12 ZINC000562745969 323029790 /nfs/dbraw/zinc/02/97/90/323029790.db2.gz IMKSBZXYTNONKR-UHFFFAOYSA-N 2 2 245.326 0.988 20 0 BCADLP [NH3+]CC[N@@H+](CCO)Cc1ccnc2ccccc12 ZINC000562745969 323029791 /nfs/dbraw/zinc/02/97/91/323029791.db2.gz IMKSBZXYTNONKR-UHFFFAOYSA-N 2 2 245.326 0.988 20 0 BCADLP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC000569803089 323041108 /nfs/dbraw/zinc/04/11/08/323041108.db2.gz BPXPRMZTOOALFS-GHMZBOCLSA-N 2 2 216.325 0.068 20 0 BCADLP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC000569803089 323041109 /nfs/dbraw/zinc/04/11/09/323041109.db2.gz BPXPRMZTOOALFS-GHMZBOCLSA-N 2 2 216.325 0.068 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+]1CCOC[C@H]1CCCO1 ZINC000570162301 323051440 /nfs/dbraw/zinc/05/14/40/323051440.db2.gz JPQDLTDQCLJXNF-VXGBXAGGSA-N 2 2 228.336 0.605 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+]1CCOC[C@H]1CCCO1 ZINC000570162301 323051441 /nfs/dbraw/zinc/05/14/41/323051441.db2.gz JPQDLTDQCLJXNF-VXGBXAGGSA-N 2 2 228.336 0.605 20 0 BCADLP C[NH2+][C@@H](C)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000570526856 323062252 /nfs/dbraw/zinc/06/22/52/323062252.db2.gz CUNRYSLHICAPQN-JTQLQIEISA-N 2 2 246.314 0.867 20 0 BCADLP C[N@@H+]1CC[C@H]([NH2+]CCC(N)=O)[C@H]1c1ccccc1 ZINC000570920593 323074269 /nfs/dbraw/zinc/07/42/69/323074269.db2.gz QJFKPYWXMIAGJS-GXTWGEPZSA-N 2 2 247.342 0.897 20 0 BCADLP C[N@H+]1CC[C@H]([NH2+]CCC(N)=O)[C@H]1c1ccccc1 ZINC000570920593 323074270 /nfs/dbraw/zinc/07/42/70/323074270.db2.gz QJFKPYWXMIAGJS-GXTWGEPZSA-N 2 2 247.342 0.897 20 0 BCADLP NC(=O)CC[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000562987908 323078213 /nfs/dbraw/zinc/07/82/13/323078213.db2.gz USVZUTDZPIAZJG-UHFFFAOYSA-N 2 2 246.314 0.961 20 0 BCADLP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCC[NH2+]C1 ZINC000563135591 323094606 /nfs/dbraw/zinc/09/46/06/323094606.db2.gz NVXIHQOQGBUESV-GFCCVEGCSA-N 2 2 236.363 0.921 20 0 BCADLP O=C(C[NH2+]C1CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000571043545 323105026 /nfs/dbraw/zinc/10/50/26/323105026.db2.gz HOXFMWHZFZBSCJ-UHFFFAOYSA-N 2 2 248.330 0.868 20 0 BCADLP CC(=O)N[C@@H](C)C1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000571046998 323105281 /nfs/dbraw/zinc/10/52/81/323105281.db2.gz DVVFVRAIBUJGLO-UWVGGRQHSA-N 2 2 227.352 0.570 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000531729198 323111634 /nfs/dbraw/zinc/11/16/34/323111634.db2.gz NDLJHFNSMMEGLF-NWDGAFQWSA-N 2 2 241.379 0.785 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000531729198 323111635 /nfs/dbraw/zinc/11/16/35/323111635.db2.gz NDLJHFNSMMEGLF-NWDGAFQWSA-N 2 2 241.379 0.785 20 0 BCADLP O=C1NCC[C@@]12CCC[N@@H+]2CCn1cc[nH+]c1 ZINC000563365313 323121366 /nfs/dbraw/zinc/12/13/66/323121366.db2.gz QBGRMJFMCGBFDT-LBPRGKRZSA-N 2 2 234.303 0.238 20 0 BCADLP O=C1NCC[C@@]12CCC[N@H+]2CCn1cc[nH+]c1 ZINC000563365313 323121367 /nfs/dbraw/zinc/12/13/67/323121367.db2.gz QBGRMJFMCGBFDT-LBPRGKRZSA-N 2 2 234.303 0.238 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@](C)(O)C2CC2)n1C ZINC000563441078 323124999 /nfs/dbraw/zinc/12/49/99/323124999.db2.gz QEJFVHFLFPSEQB-LBPRGKRZSA-N 2 2 223.320 0.979 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)n1C ZINC000563441102 323125025 /nfs/dbraw/zinc/12/50/25/323125025.db2.gz QGWAFPCOUDEVIQ-VHSXEESVSA-N 2 2 236.319 0.472 20 0 BCADLP CC[C@](C)(CO)[NH2+]Cc1c[nH+]c(C)n1C ZINC000563439061 323125612 /nfs/dbraw/zinc/12/56/12/323125612.db2.gz IJCKDSKNTRZREM-LLVKDONJSA-N 2 2 211.309 0.979 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H](C)Cn2cncn2)n1C ZINC000571179549 323137574 /nfs/dbraw/zinc/13/75/74/323137574.db2.gz RRIFHNUEBYXDJJ-VIFPVBQESA-N 2 2 234.307 0.498 20 0 BCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H](C)O ZINC000571198721 323137983 /nfs/dbraw/zinc/13/79/83/323137983.db2.gz WJHFYIFCGJCIHJ-SDDRHHMPSA-N 2 2 230.352 0.456 20 0 BCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H](C)O ZINC000571198721 323137984 /nfs/dbraw/zinc/13/79/84/323137984.db2.gz WJHFYIFCGJCIHJ-SDDRHHMPSA-N 2 2 230.352 0.456 20 0 BCADLP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2nnc3n2CCC3)C1 ZINC000571226608 323138795 /nfs/dbraw/zinc/13/87/95/323138795.db2.gz RPHOIIKIGNAFRK-UWVGGRQHSA-N 2 2 235.335 0.584 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000571298662 323140767 /nfs/dbraw/zinc/14/07/67/323140767.db2.gz XEXMKHRTJCGOGP-YFKTTZPYSA-N 3 2 211.353 0.986 20 0 BCADLP Nc1[nH+]cnc(N[C@H]2CC[NH2+]C2)c1Cl ZINC000571298114 323140802 /nfs/dbraw/zinc/14/08/02/323140802.db2.gz BWAPVGHURASVDX-YFKPBYRVSA-N 2 2 213.672 0.486 20 0 BCADLP C[NH+](C)[C@H](C[NH2+]CCC(N)=O)Cc1ccccc1 ZINC000571315360 323141108 /nfs/dbraw/zinc/14/11/08/323141108.db2.gz GRFGQHQGJZWRDA-ZDUSSCGKSA-N 2 2 249.358 0.624 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N(C)CC1CC1 ZINC000571340677 323141936 /nfs/dbraw/zinc/14/19/36/323141936.db2.gz JVOLVWNCYSQZBN-JQWIXIFHSA-N 2 2 239.363 0.666 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N(C)CC1CC1 ZINC000571340677 323141937 /nfs/dbraw/zinc/14/19/37/323141937.db2.gz JVOLVWNCYSQZBN-JQWIXIFHSA-N 2 2 239.363 0.666 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535313786 323170330 /nfs/dbraw/zinc/17/03/30/323170330.db2.gz OJCQWTVCLYTTCI-UWVGGRQHSA-N 2 2 237.303 0.771 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535313786 323170331 /nfs/dbraw/zinc/17/03/31/323170331.db2.gz OJCQWTVCLYTTCI-UWVGGRQHSA-N 2 2 237.303 0.771 20 0 BCADLP C[NH+](C)C[C@](C)(O)C[NH2+]CC1(F)CC1 ZINC000308507205 323175107 /nfs/dbraw/zinc/17/51/07/323175107.db2.gz JEKVNIOEOOEFKM-SECBINFHSA-N 2 2 204.289 0.391 20 0 BCADLP C[C@@H](NC[C@@H]1COCC[NH2+]1)c1c[nH+]ccc1N ZINC000530226274 323219608 /nfs/dbraw/zinc/21/96/08/323219608.db2.gz QXPXYBYAGDNMSH-NXEZZACHSA-N 2 2 236.319 0.133 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1COCCN1)c1c[nH+]ccc1N ZINC000530226274 323219610 /nfs/dbraw/zinc/21/96/10/323219610.db2.gz QXPXYBYAGDNMSH-NXEZZACHSA-N 2 2 236.319 0.133 20 0 BCADLP CCOC[C@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000530243908 323220089 /nfs/dbraw/zinc/22/00/89/323220089.db2.gz IOTAXDIJYSCQKU-OLZOCXBDSA-N 2 2 242.363 0.723 20 0 BCADLP CCOC[C@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000530243908 323220090 /nfs/dbraw/zinc/22/00/90/323220090.db2.gz IOTAXDIJYSCQKU-OLZOCXBDSA-N 2 2 242.363 0.723 20 0 BCADLP CCOC[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000530243918 323220125 /nfs/dbraw/zinc/22/01/25/323220125.db2.gz IOTAXDIJYSCQKU-STQMWFEESA-N 2 2 242.363 0.723 20 0 BCADLP CCOC[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000530243918 323220127 /nfs/dbraw/zinc/22/01/27/323220127.db2.gz IOTAXDIJYSCQKU-STQMWFEESA-N 2 2 242.363 0.723 20 0 BCADLP C[C@H](O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000565156115 323325304 /nfs/dbraw/zinc/32/53/04/323325304.db2.gz HRVRLBSURNDOBZ-VHSXEESVSA-N 2 2 209.293 0.590 20 0 BCADLP C[C@H](O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000565156115 323325305 /nfs/dbraw/zinc/32/53/05/323325305.db2.gz HRVRLBSURNDOBZ-VHSXEESVSA-N 2 2 209.293 0.590 20 0 BCADLP Cn1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)n1 ZINC000309257955 323332906 /nfs/dbraw/zinc/33/29/06/323332906.db2.gz GZZANNPBDJACLM-CMPLNLGQSA-N 2 2 220.320 0.604 20 0 BCADLP Cn1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)n1 ZINC000309257955 323332909 /nfs/dbraw/zinc/33/29/09/323332909.db2.gz GZZANNPBDJACLM-CMPLNLGQSA-N 2 2 220.320 0.604 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]([NH3+])c1cscn1 ZINC000515831721 324115783 /nfs/dbraw/zinc/11/57/83/324115783.db2.gz GTUQVNLSSSRSGY-ACLDMZEESA-N 2 2 240.332 0.091 20 0 BCADLP CC[C@H](C)[C@@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000572519555 324179103 /nfs/dbraw/zinc/17/91/03/324179103.db2.gz MKAFZVYZCVIYCI-TUAOUCFPSA-N 2 2 241.379 0.770 20 0 BCADLP CC[C@H](C)[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000572519555 324179106 /nfs/dbraw/zinc/17/91/06/324179106.db2.gz MKAFZVYZCVIYCI-TUAOUCFPSA-N 2 2 241.379 0.770 20 0 BCADLP COCC[NH2+]CC[NH2+][C@H](COC)C1CC1 ZINC000398084706 324216843 /nfs/dbraw/zinc/21/68/43/324216843.db2.gz HUTSPUWGVURIGP-LLVKDONJSA-N 2 2 216.325 0.237 20 0 BCADLP Cn1nccc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178439 324509404 /nfs/dbraw/zinc/50/94/04/324509404.db2.gz LDZFMWMSDAUQGY-NSHDSACASA-N 2 2 220.320 0.794 20 0 BCADLP CCn1ncc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)n1 ZINC000530213474 324528558 /nfs/dbraw/zinc/52/85/58/324528558.db2.gz VSZWHTKXSOPKHT-JQWIXIFHSA-N 2 2 237.351 0.776 20 0 BCADLP Nc1ccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cn1 ZINC000647548116 487965480 /nfs/dbraw/zinc/96/54/80/487965480.db2.gz VQUTVPIAZJUTRQ-UWVGGRQHSA-N 2 2 224.283 0.453 20 0 BCADLP Cc1cc(NC(=O)N2CC([NH+](C)C)C2)c(C)c[nH+]1 ZINC000543630225 325098942 /nfs/dbraw/zinc/09/89/42/325098942.db2.gz QPPFJJOUDVATCL-UHFFFAOYSA-N 2 2 248.330 0.898 20 0 BCADLP Cc1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)nc1 ZINC000131449994 325152755 /nfs/dbraw/zinc/15/27/55/325152755.db2.gz PSYSOSRGKDHDHQ-CYBMUJFWSA-N 2 2 237.347 0.792 20 0 BCADLP C[C@H](CC[NH+](C)C)NC(=O)Cc1c[nH+]cn1C ZINC000547540821 325371425 /nfs/dbraw/zinc/37/14/25/325371425.db2.gz VIXPKKQWWMFWRJ-SNVBAGLBSA-N 2 2 238.335 0.419 20 0 BCADLP [NH3+]Cc1noc([C@H]([NH3+])Cc2ccccc2)n1 ZINC000564327998 325383778 /nfs/dbraw/zinc/38/37/78/325383778.db2.gz IGNGKOMTCPIVHX-SECBINFHSA-N 2 2 218.260 0.771 20 0 BCADLP C[NH+](C)C1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000134984620 325386546 /nfs/dbraw/zinc/38/65/46/325386546.db2.gz AOKMVZUUHOIDIH-SNVBAGLBSA-N 2 2 248.330 0.218 20 0 BCADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](C2CC2)CC1 ZINC000553846638 325700072 /nfs/dbraw/zinc/70/00/72/325700072.db2.gz JTGBOLYZHILIIK-UHFFFAOYSA-N 2 2 248.330 0.626 20 0 BCADLP O=C(C[C@@H]1CCC[NH2+]1)Nc1cc[nH+]cc1O ZINC000564565526 325795937 /nfs/dbraw/zinc/79/59/37/325795937.db2.gz VYGOFPPDRNCKLB-QMMMGPOBSA-N 2 2 221.260 0.290 20 0 BCADLP CC[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000566230652 326019020 /nfs/dbraw/zinc/01/90/20/326019020.db2.gz AJSDQUQLBFGKRN-NEPJUHHUSA-N 2 2 230.352 0.194 20 0 BCADLP CC[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000566230652 326019022 /nfs/dbraw/zinc/01/90/22/326019022.db2.gz AJSDQUQLBFGKRN-NEPJUHHUSA-N 2 2 230.352 0.194 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@H](O)C2CCC2)n1C ZINC000566499152 326059047 /nfs/dbraw/zinc/05/90/47/326059047.db2.gz NKQRFIIYXQMRJU-LBPRGKRZSA-N 2 2 223.320 0.979 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCC[C@@H](C)O)n1C ZINC000566749661 326080263 /nfs/dbraw/zinc/08/02/63/326080263.db2.gz WCJGMLLAYNLUSA-SECBINFHSA-N 2 2 211.309 0.979 20 0 BCADLP CCOCC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000566850764 326087897 /nfs/dbraw/zinc/08/78/97/326087897.db2.gz BXJFGCJFXFOWEX-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP CCOCC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000566850764 326087898 /nfs/dbraw/zinc/08/78/98/326087898.db2.gz BXJFGCJFXFOWEX-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCO[C@H](CF)C1 ZINC000567747855 326254584 /nfs/dbraw/zinc/25/45/84/326254584.db2.gz BLMDZZRFEGZNRD-NWDGAFQWSA-N 2 2 248.342 0.359 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCO[C@H](CF)C1 ZINC000567747855 326254586 /nfs/dbraw/zinc/25/45/86/326254586.db2.gz BLMDZZRFEGZNRD-NWDGAFQWSA-N 2 2 248.342 0.359 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCO[C@H](CF)C1 ZINC000567747855 326254587 /nfs/dbraw/zinc/25/45/87/326254587.db2.gz BLMDZZRFEGZNRD-NWDGAFQWSA-N 2 2 248.342 0.359 20 0 BCADLP CN(CC[NH3+])C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000567844935 326268664 /nfs/dbraw/zinc/26/86/64/326268664.db2.gz DVXMSMGEGFKCFI-UHFFFAOYSA-N 2 2 249.305 0.381 20 0 BCADLP c1nc2cnccn2c1C[NH2+]CCC[NH+]1CCC1 ZINC000568236143 326331902 /nfs/dbraw/zinc/33/19/02/326331902.db2.gz BILBSCJPWRRCGI-UHFFFAOYSA-N 2 2 245.330 0.915 20 0 BCADLP CNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158914940 326345711 /nfs/dbraw/zinc/34/57/11/326345711.db2.gz SJNPXSPUIODELJ-GHMZBOCLSA-N 2 2 225.336 0.149 20 0 BCADLP CNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158914940 326345712 /nfs/dbraw/zinc/34/57/12/326345712.db2.gz SJNPXSPUIODELJ-GHMZBOCLSA-N 2 2 225.336 0.149 20 0 BCADLP CNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158914940 326345713 /nfs/dbraw/zinc/34/57/13/326345713.db2.gz SJNPXSPUIODELJ-GHMZBOCLSA-N 2 2 225.336 0.149 20 0 BCADLP CNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158914940 326345714 /nfs/dbraw/zinc/34/57/14/326345714.db2.gz SJNPXSPUIODELJ-GHMZBOCLSA-N 2 2 225.336 0.149 20 0 BCADLP CC(C)[NH2+]CCC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000568381413 326351410 /nfs/dbraw/zinc/35/14/10/326351410.db2.gz JQXZRJDUXPJRGX-STQMWFEESA-N 3 2 243.395 0.731 20 0 BCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1F)C1CC1 ZINC000568857877 326379743 /nfs/dbraw/zinc/37/97/43/326379743.db2.gz SVAJORCDFNNWQE-GRYCIOLGSA-N 2 2 230.327 0.922 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1F)C1CC1 ZINC000568857877 326379745 /nfs/dbraw/zinc/37/97/45/326379745.db2.gz SVAJORCDFNNWQE-GRYCIOLGSA-N 2 2 230.327 0.922 20 0 BCADLP Cc1c[nH]c(C(C)(C)NC(=O)C[NH+](C)C)[nH+]1 ZINC000569010695 326386684 /nfs/dbraw/zinc/38/66/84/326386684.db2.gz OUEIZDDUOZQLEF-UHFFFAOYSA-N 2 2 224.308 0.631 20 0 BCADLP C[C@H](C[NH2+][C@@H](C)Cn1cc[nH+]c1)S(C)(=O)=O ZINC000569095662 326389704 /nfs/dbraw/zinc/38/97/04/326389704.db2.gz VEONNEVHOQREBH-VHSXEESVSA-N 2 2 245.348 0.294 20 0 BCADLP CC(C)[C@@H](NC(=O)[C@H]1CC[NH2+]C1)c1[nH]cc[nH+]1 ZINC000569219014 326395594 /nfs/dbraw/zinc/39/55/94/326395594.db2.gz JOVVYJRYFYZOKV-VHSXEESVSA-N 2 2 236.319 0.833 20 0 BCADLP CC(C)n1ncnc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000083980460 487978903 /nfs/dbraw/zinc/97/89/03/487978903.db2.gz CKZRQUNGZTXRRH-SNVBAGLBSA-N 2 2 223.324 0.640 20 0 BCADLP CC(C)n1ncnc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000083980460 487978908 /nfs/dbraw/zinc/97/89/08/487978908.db2.gz CKZRQUNGZTXRRH-SNVBAGLBSA-N 2 2 223.324 0.640 20 0 BCADLP Cc1cc(NC(=O)NC/C=C\C[NH3+])c(C)c[nH+]1 ZINC000667301951 487982355 /nfs/dbraw/zinc/98/23/55/487982355.db2.gz SGHCZHBCTZZZLW-ARJAWSKDSA-N 2 2 234.303 0.757 20 0 BCADLP COc1ncc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(C)n1 ZINC000685000889 487987558 /nfs/dbraw/zinc/98/75/58/487987558.db2.gz VDHQZIRSJKSTFD-VXGBXAGGSA-N 2 2 248.330 0.445 20 0 BCADLP COc1ncc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)n1 ZINC000685000888 487987948 /nfs/dbraw/zinc/98/79/48/487987948.db2.gz VDHQZIRSJKSTFD-TXEJJXNPSA-N 2 2 248.330 0.445 20 0 BCADLP COc1ncc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)n1 ZINC000685000888 487987953 /nfs/dbraw/zinc/98/79/53/487987953.db2.gz VDHQZIRSJKSTFD-TXEJJXNPSA-N 2 2 248.330 0.445 20 0 BCADLP CC[C@H]1CC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000672602841 487996835 /nfs/dbraw/zinc/99/68/35/487996835.db2.gz AELCEJLSFRMTQQ-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP CC[N@@H+]1CCN(Cc2[nH+]ccn2C)C[C@H]1C ZINC000677194312 487997737 /nfs/dbraw/zinc/99/77/37/487997737.db2.gz HECHVEXXWMJGKE-LLVKDONJSA-N 2 2 222.336 0.946 20 0 BCADLP CC[N@H+]1CCN(Cc2[nH+]ccn2C)C[C@H]1C ZINC000677194312 487997739 /nfs/dbraw/zinc/99/77/39/487997739.db2.gz HECHVEXXWMJGKE-LLVKDONJSA-N 2 2 222.336 0.946 20 0 BCADLP CC[C@H]([NH3+])c1cn(CC[NH+]2CCOCC2)nn1 ZINC000229946606 488005547 /nfs/dbraw/zinc/00/55/47/488005547.db2.gz OAOKOUAKWMXMQY-JTQLQIEISA-N 2 2 239.323 0.020 20 0 BCADLP Cc1[nH+]cc(C[N@@H+](CC(N)=O)C(C)C)n1C ZINC000667478948 488021994 /nfs/dbraw/zinc/02/19/94/488021994.db2.gz TXLIFPDFAYDOOR-UHFFFAOYSA-N 2 2 224.308 0.424 20 0 BCADLP Cc1[nH+]cc(C[N@H+](CC(N)=O)C(C)C)n1C ZINC000667478948 488021997 /nfs/dbraw/zinc/02/19/97/488021997.db2.gz TXLIFPDFAYDOOR-UHFFFAOYSA-N 2 2 224.308 0.424 20 0 BCADLP CC[C@@H]1C[N@H+](CC(=O)NCC2CC2)CC[C@@H]1[NH3+] ZINC000147442545 488023458 /nfs/dbraw/zinc/02/34/58/488023458.db2.gz OQYDMFKTLGVYSH-NEPJUHHUSA-N 2 2 239.363 0.572 20 0 BCADLP CC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)CC[C@@H]1[NH3+] ZINC000147442545 488023462 /nfs/dbraw/zinc/02/34/62/488023462.db2.gz OQYDMFKTLGVYSH-NEPJUHHUSA-N 2 2 239.363 0.572 20 0 BCADLP CC[C@H]1C[N@H+](CC(=O)NCC(C)C)CC[C@@H]1[NH3+] ZINC000147496904 488031262 /nfs/dbraw/zinc/03/12/62/488031262.db2.gz UXMFQEXNBDGNBW-RYUDHWBXSA-N 2 2 241.379 0.818 20 0 BCADLP CC[C@H]1C[N@@H+](CC(=O)NCC(C)C)CC[C@@H]1[NH3+] ZINC000147496904 488031268 /nfs/dbraw/zinc/03/12/68/488031268.db2.gz UXMFQEXNBDGNBW-RYUDHWBXSA-N 2 2 241.379 0.818 20 0 BCADLP O[C@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667510588 488034725 /nfs/dbraw/zinc/03/47/25/488034725.db2.gz NBSNHIYKYWXAEN-JTQLQIEISA-N 2 2 207.277 0.396 20 0 BCADLP O[C@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667510588 488034730 /nfs/dbraw/zinc/03/47/30/488034730.db2.gz NBSNHIYKYWXAEN-JTQLQIEISA-N 2 2 207.277 0.396 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655448750 488035928 /nfs/dbraw/zinc/03/59/28/488035928.db2.gz VIDLJGVLSXTSMJ-BXKDBHETSA-N 2 2 234.303 0.416 20 0 BCADLP Cn1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cn1 ZINC000236082070 488039726 /nfs/dbraw/zinc/03/97/26/488039726.db2.gz NUFVIUSKCNTUDP-NSHDSACASA-N 2 2 208.309 0.652 20 0 BCADLP CC(C)[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000166231349 488063599 /nfs/dbraw/zinc/06/35/99/488063599.db2.gz RGDVHDRTEMWEQT-NEPJUHHUSA-N 2 2 212.337 0.953 20 0 BCADLP CC(C)[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000166231349 488063601 /nfs/dbraw/zinc/06/36/01/488063601.db2.gz RGDVHDRTEMWEQT-NEPJUHHUSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1C[C@H]1C ZINC000666085390 488064801 /nfs/dbraw/zinc/06/48/01/488064801.db2.gz OXBJCXXGLKCTJO-UTUOFQBUSA-N 2 2 239.363 0.395 20 0 BCADLP CC[N@@H+]1CCN(C(=O)[C@H](C)[NH+](C)C)[C@@H](C)C1 ZINC000672189389 488067448 /nfs/dbraw/zinc/06/74/48/488067448.db2.gz GVYTUKGGGSAXQJ-QWRGUYRKSA-N 2 2 227.352 0.489 20 0 BCADLP CC[N@H+]1CCN(C(=O)[C@H](C)[NH+](C)C)[C@@H](C)C1 ZINC000672189389 488067455 /nfs/dbraw/zinc/06/74/55/488067455.db2.gz GVYTUKGGGSAXQJ-QWRGUYRKSA-N 2 2 227.352 0.489 20 0 BCADLP CC[N@@H+]1CCN(C(=O)[C@H](C)[NH+](C)C)[C@H](C)C1 ZINC000672189388 488067965 /nfs/dbraw/zinc/06/79/65/488067965.db2.gz GVYTUKGGGSAXQJ-MNOVXSKESA-N 2 2 227.352 0.489 20 0 BCADLP CC[N@H+]1CCN(C(=O)[C@H](C)[NH+](C)C)[C@H](C)C1 ZINC000672189388 488067971 /nfs/dbraw/zinc/06/79/71/488067971.db2.gz GVYTUKGGGSAXQJ-MNOVXSKESA-N 2 2 227.352 0.489 20 0 BCADLP CCN1CCC[N@H+](C[C@@H]2CC[NH2+]C2)CC1=O ZINC000257802428 488089376 /nfs/dbraw/zinc/08/93/76/488089376.db2.gz ZVQJINRLYFMQPA-LLVKDONJSA-N 2 2 225.336 0.150 20 0 BCADLP CCN1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)CC1=O ZINC000257802428 488089380 /nfs/dbraw/zinc/08/93/80/488089380.db2.gz ZVQJINRLYFMQPA-LLVKDONJSA-N 2 2 225.336 0.150 20 0 BCADLP CC[N@H+](C[C@H]1C[NH2+]CCO1)[C@H]1CCCOC1 ZINC000402584699 488095477 /nfs/dbraw/zinc/09/54/77/488095477.db2.gz HDIAHSLFMQMDKU-NWDGAFQWSA-N 2 2 228.336 0.476 20 0 BCADLP CC[N@@H+](C[C@H]1C[NH2+]CCO1)[C@H]1CCCOC1 ZINC000402584699 488095482 /nfs/dbraw/zinc/09/54/82/488095482.db2.gz HDIAHSLFMQMDKU-NWDGAFQWSA-N 2 2 228.336 0.476 20 0 BCADLP CC[C@@H]1C[N@H+](Cc2c[nH+]c(C)n2C)C[C@H]1O ZINC000667710936 488096870 /nfs/dbraw/zinc/09/68/70/488096870.db2.gz SHWIBHRAWCXTRI-ZYHUDNBSSA-N 2 2 223.320 0.931 20 0 BCADLP CC[C@@H]1C[N@@H+](Cc2c[nH+]c(C)n2C)C[C@H]1O ZINC000667710936 488096874 /nfs/dbraw/zinc/09/68/74/488096874.db2.gz SHWIBHRAWCXTRI-ZYHUDNBSSA-N 2 2 223.320 0.931 20 0 BCADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@H]2COCCO2)C1 ZINC000252465143 487537465 /nfs/dbraw/zinc/53/74/65/487537465.db2.gz WGILQNVIBQICBE-OLZOCXBDSA-N 2 2 242.363 0.864 20 0 BCADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@H]2COCCO2)C1 ZINC000252465143 487537470 /nfs/dbraw/zinc/53/74/70/487537470.db2.gz WGILQNVIBQICBE-OLZOCXBDSA-N 2 2 242.363 0.864 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CC[NH2+]C1 ZINC000382755724 487550237 /nfs/dbraw/zinc/55/02/37/487550237.db2.gz NFBRNKNJMGOHLK-LBPRGKRZSA-N 3 2 222.336 0.815 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CC[NH2+]C1 ZINC000382755724 487550245 /nfs/dbraw/zinc/55/02/45/487550245.db2.gz NFBRNKNJMGOHLK-LBPRGKRZSA-N 3 2 222.336 0.815 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)[C@@H](C)CO1 ZINC000403749683 488135196 /nfs/dbraw/zinc/13/51/96/488135196.db2.gz BMBUDWNYFLBPTE-QJPTWQEYSA-N 2 2 228.336 0.474 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)[C@@H](C)CO1 ZINC000403749683 488135201 /nfs/dbraw/zinc/13/52/01/488135201.db2.gz BMBUDWNYFLBPTE-QJPTWQEYSA-N 2 2 228.336 0.474 20 0 BCADLP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1c[nH+]c[nH]1 ZINC000093677944 487484448 /nfs/dbraw/zinc/48/44/48/487484448.db2.gz LIRXBZQRMYNJHQ-FGWVZKOKSA-N 2 2 248.330 0.947 20 0 BCADLP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1c[nH]c[nH+]1 ZINC000093677944 487484456 /nfs/dbraw/zinc/48/44/56/487484456.db2.gz LIRXBZQRMYNJHQ-FGWVZKOKSA-N 2 2 248.330 0.947 20 0 BCADLP Cc1[nH]c(C(=O)NC2CC([NH+](C)C)C2)c[nH+]1 ZINC000670445672 487492161 /nfs/dbraw/zinc/49/21/61/487492161.db2.gz JUDRCTYYUXWSHA-UHFFFAOYSA-N 2 2 222.292 0.541 20 0 BCADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NC1CC1 ZINC000334200630 487497399 /nfs/dbraw/zinc/49/73/99/487497399.db2.gz NLVYORKNOCEKCE-ZDUSSCGKSA-N 2 2 237.347 0.341 20 0 BCADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NC1CC1 ZINC000334200630 487497404 /nfs/dbraw/zinc/49/74/04/487497404.db2.gz NLVYORKNOCEKCE-ZDUSSCGKSA-N 2 2 237.347 0.341 20 0 BCADLP C[N@H+](CCC[NH3+])CC(=O)NC1CCCC1 ZINC000019834787 487501290 /nfs/dbraw/zinc/50/12/90/487501290.db2.gz KBIAJVQLRIYOPE-UHFFFAOYSA-N 2 2 213.325 0.326 20 0 BCADLP C[N@@H+](CCC[NH3+])CC(=O)NC1CCCC1 ZINC000019834787 487501293 /nfs/dbraw/zinc/50/12/93/487501293.db2.gz KBIAJVQLRIYOPE-UHFFFAOYSA-N 2 2 213.325 0.326 20 0 BCADLP CO[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000381275685 487503280 /nfs/dbraw/zinc/50/32/80/487503280.db2.gz WVFSDSXPVCJVJR-NEPJUHHUSA-N 2 2 230.352 0.408 20 0 BCADLP CO[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000381275685 487503283 /nfs/dbraw/zinc/50/32/83/487503283.db2.gz WVFSDSXPVCJVJR-NEPJUHHUSA-N 2 2 230.352 0.408 20 0 BCADLP CO[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000381275685 487503286 /nfs/dbraw/zinc/50/32/86/487503286.db2.gz WVFSDSXPVCJVJR-NEPJUHHUSA-N 2 2 230.352 0.408 20 0 BCADLP CO[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000381275685 487503291 /nfs/dbraw/zinc/50/32/91/487503291.db2.gz WVFSDSXPVCJVJR-NEPJUHHUSA-N 2 2 230.352 0.408 20 0 BCADLP C[NH+](C)C1CC[NH+](CCNc2cccnn2)CC1 ZINC000674043475 487504110 /nfs/dbraw/zinc/50/41/10/487504110.db2.gz BKIKFTLXKUYNGL-UHFFFAOYSA-N 2 2 249.362 0.915 20 0 BCADLP Cc1[nH+]cc(C[NH+]2CC(C)(CO)C2)n1C ZINC000668233514 487505701 /nfs/dbraw/zinc/50/57/01/487505701.db2.gz AQGBEAUTOMNXRS-UHFFFAOYSA-N 2 2 209.293 0.543 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC(=O)N2)C[N@@H+]1C1CC1 ZINC000161715938 487512879 /nfs/dbraw/zinc/51/28/79/487512879.db2.gz UUVPORWFHSVHSB-GARJFASQSA-N 2 2 237.347 0.480 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC(=O)N2)C[N@H+]1C1CC1 ZINC000161715938 487512881 /nfs/dbraw/zinc/51/28/81/487512881.db2.gz UUVPORWFHSVHSB-GARJFASQSA-N 2 2 237.347 0.480 20 0 BCADLP CNC(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660657623 488145611 /nfs/dbraw/zinc/14/56/11/488145611.db2.gz YSGRWDXZKJFMBW-GFCCVEGCSA-N 2 2 225.336 0.150 20 0 BCADLP CNC(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660657623 488145614 /nfs/dbraw/zinc/14/56/14/488145614.db2.gz YSGRWDXZKJFMBW-GFCCVEGCSA-N 2 2 225.336 0.150 20 0 BCADLP CNC(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660657623 488145619 /nfs/dbraw/zinc/14/56/19/488145619.db2.gz YSGRWDXZKJFMBW-GFCCVEGCSA-N 2 2 225.336 0.150 20 0 BCADLP CNC(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660657623 488145625 /nfs/dbraw/zinc/14/56/25/488145625.db2.gz YSGRWDXZKJFMBW-GFCCVEGCSA-N 2 2 225.336 0.150 20 0 BCADLP CN(CCC[NH+](C)C)Cc1c[nH+]cn1C ZINC000685452333 487526659 /nfs/dbraw/zinc/52/66/59/487526659.db2.gz QVDUZCDCJHUJLB-UHFFFAOYSA-N 2 2 210.325 0.804 20 0 BCADLP CCn1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)nn1 ZINC000404429509 488159734 /nfs/dbraw/zinc/15/97/34/488159734.db2.gz LEYTUWCAKAYIHM-ZJUUUORDSA-N 2 2 223.324 0.658 20 0 BCADLP C1CC1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655679549 488168212 /nfs/dbraw/zinc/16/82/12/488168212.db2.gz BVPVTXGAUQLIOA-LBPRGKRZSA-N 2 2 210.321 0.992 20 0 BCADLP c1nc2ccccn2c1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000666939592 487909029 /nfs/dbraw/zinc/90/90/29/487909029.db2.gz SCGJRXNIFIUBSE-PJXYFTJBSA-N 2 2 228.299 0.642 20 0 BCADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+](C)CCC[NH3+])C1 ZINC000123298228 487983531 /nfs/dbraw/zinc/98/35/31/487983531.db2.gz XYEVNKHOFNYBFV-VXGBXAGGSA-N 2 2 241.379 0.772 20 0 BCADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+](C)CCC[NH3+])C1 ZINC000123298228 487983535 /nfs/dbraw/zinc/98/35/35/487983535.db2.gz XYEVNKHOFNYBFV-VXGBXAGGSA-N 2 2 241.379 0.772 20 0 BCADLP Cc1[nH]c2ccc(NC(=O)COCC[NH3+])cc2[nH+]1 ZINC000093231075 488142959 /nfs/dbraw/zinc/14/29/59/488142959.db2.gz DDBYBNKWVTUUEE-UHFFFAOYSA-N 2 2 248.286 0.785 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCc1ccnn1C ZINC000230764253 488155784 /nfs/dbraw/zinc/15/57/84/488155784.db2.gz LKHSXOSTWKBHJI-LBPRGKRZSA-N 2 2 222.336 0.646 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCc1ccnn1C ZINC000230764253 488155788 /nfs/dbraw/zinc/15/57/88/488155788.db2.gz LKHSXOSTWKBHJI-LBPRGKRZSA-N 2 2 222.336 0.646 20 0 BCADLP C[NH2+][C@@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC000230775452 488156944 /nfs/dbraw/zinc/15/69/44/488156944.db2.gz SVPPVSNGCKIRLI-SNVBAGLBSA-N 2 2 208.309 0.256 20 0 BCADLP C[NH2+][C@@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC000230775452 488156948 /nfs/dbraw/zinc/15/69/48/488156948.db2.gz SVPPVSNGCKIRLI-SNVBAGLBSA-N 2 2 208.309 0.256 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+][C@H]1CCCN(C)C1=O ZINC000662275787 490046094 /nfs/dbraw/zinc/04/60/94/490046094.db2.gz DTXVAJLTCWJTSE-WISYIIOYSA-N 2 2 239.363 0.583 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085369232 488164881 /nfs/dbraw/zinc/16/48/81/488164881.db2.gz DTNMBNRBXWBCIX-ZJUUUORDSA-N 2 2 236.319 0.506 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@H]([C@H](C)O)C2)n1C ZINC000667959263 488165815 /nfs/dbraw/zinc/16/58/15/488165815.db2.gz JETNKVMXWSAYSZ-ONGXEEELSA-N 2 2 223.320 0.931 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)n1C ZINC000667959263 488165816 /nfs/dbraw/zinc/16/58/16/488165816.db2.gz JETNKVMXWSAYSZ-ONGXEEELSA-N 2 2 223.320 0.931 20 0 BCADLP CCO[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000380055808 488169204 /nfs/dbraw/zinc/16/92/04/488169204.db2.gz WRXSEMCSTMOHDJ-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP CCO[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000380055808 488169209 /nfs/dbraw/zinc/16/92/09/488169209.db2.gz WRXSEMCSTMOHDJ-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP CCO[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000380055808 488169213 /nfs/dbraw/zinc/16/92/13/488169213.db2.gz WRXSEMCSTMOHDJ-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000400956622 488178688 /nfs/dbraw/zinc/17/86/88/488178688.db2.gz YVXIOHQQDOCLKX-FRRDWIJNSA-N 3 2 248.374 0.940 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000380234684 488181456 /nfs/dbraw/zinc/18/14/56/488181456.db2.gz SIINMKXGDFRAAL-BDAKNGLRSA-N 2 2 222.292 0.462 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](n3cncn3)C2)n1C ZINC000668007728 488182777 /nfs/dbraw/zinc/18/27/77/488182777.db2.gz CLKSVYREUCXCCA-NSHDSACASA-N 2 2 246.318 0.767 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](n3cncn3)C2)n1C ZINC000668007728 488182782 /nfs/dbraw/zinc/18/27/82/488182782.db2.gz CLKSVYREUCXCCA-NSHDSACASA-N 2 2 246.318 0.767 20 0 BCADLP Cc1[nH+]cc(C[N@H+](C)CC2(CO)CC2)n1C ZINC000668032258 488191755 /nfs/dbraw/zinc/19/17/55/488191755.db2.gz YGIDTFAGYSISPE-UHFFFAOYSA-N 2 2 223.320 0.933 20 0 BCADLP Cc1[nH+]cc(C[N@@H+](C)CC2(CO)CC2)n1C ZINC000668032258 488191757 /nfs/dbraw/zinc/19/17/57/488191757.db2.gz YGIDTFAGYSISPE-UHFFFAOYSA-N 2 2 223.320 0.933 20 0 BCADLP CC[N@H+](CC[C@H]1CCC[NH+]1C)CC(=O)N(C)C ZINC000678073806 488192238 /nfs/dbraw/zinc/19/22/38/488192238.db2.gz HUBUWAZSTVWAOT-GFCCVEGCSA-N 2 2 241.379 0.881 20 0 BCADLP CC[N@@H+](CC[C@H]1CCC[NH+]1C)CC(=O)N(C)C ZINC000678073806 488192240 /nfs/dbraw/zinc/19/22/40/488192240.db2.gz HUBUWAZSTVWAOT-GFCCVEGCSA-N 2 2 241.379 0.881 20 0 BCADLP CC[NH+](CC[C@H]1CCC[N@@H+]1C)CC(=O)N(C)C ZINC000678073806 488192244 /nfs/dbraw/zinc/19/22/44/488192244.db2.gz HUBUWAZSTVWAOT-GFCCVEGCSA-N 2 2 241.379 0.881 20 0 BCADLP CC[NH+](CC[C@H]1CCC[N@H+]1C)CC(=O)N(C)C ZINC000678073806 488192247 /nfs/dbraw/zinc/19/22/47/488192247.db2.gz HUBUWAZSTVWAOT-GFCCVEGCSA-N 2 2 241.379 0.881 20 0 BCADLP C[C@H]1C[C@@H](O)C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668045270 488194205 /nfs/dbraw/zinc/19/42/05/488194205.db2.gz MMNQYZOGBUUBKY-GXSJLCMTSA-N 2 2 221.304 0.784 20 0 BCADLP C[C@H]1C[C@@H](O)C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668045270 488194208 /nfs/dbraw/zinc/19/42/08/488194208.db2.gz MMNQYZOGBUUBKY-GXSJLCMTSA-N 2 2 221.304 0.784 20 0 BCADLP CCC[NH+]1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000668176085 488215205 /nfs/dbraw/zinc/21/52/05/488215205.db2.gz IPJLLDIXWAUCMG-UHFFFAOYSA-N 2 2 239.363 0.635 20 0 BCADLP C[C@@H](C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C)[NH+](C)C ZINC000678216820 488219645 /nfs/dbraw/zinc/21/96/45/488219645.db2.gz ICHKKQPBEYPIFO-DCAQKATOSA-N 2 2 227.352 0.488 20 0 BCADLP C[C@@H](C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000678572823 488267692 /nfs/dbraw/zinc/26/76/92/488267692.db2.gz JUPXHHOYHKTWEH-DTWKUNHWSA-N 2 2 236.319 0.333 20 0 BCADLP C[C@@H](C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000678572823 488267693 /nfs/dbraw/zinc/26/76/93/488267693.db2.gz JUPXHHOYHKTWEH-DTWKUNHWSA-N 2 2 236.319 0.333 20 0 BCADLP c1cn2c(cccc2C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000678843681 488290191 /nfs/dbraw/zinc/29/01/91/488290191.db2.gz MRLKTTCIKOBSBI-VXGBXAGGSA-N 2 2 242.326 0.986 20 0 BCADLP c1cn2c(cccc2CN2C[C@H]3C[NH2+]C[C@@H]3C2)[nH+]1 ZINC000678843681 488290193 /nfs/dbraw/zinc/29/01/93/488290193.db2.gz MRLKTTCIKOBSBI-VXGBXAGGSA-N 2 2 242.326 0.986 20 0 BCADLP COc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000678883738 488293160 /nfs/dbraw/zinc/29/31/60/488293160.db2.gz SCSWTSWZUBDXPM-GHMZBOCLSA-N 2 2 233.315 0.741 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000684395033 488305114 /nfs/dbraw/zinc/30/51/14/488305114.db2.gz QKPGWAULEZASEG-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000684395033 488305116 /nfs/dbraw/zinc/30/51/16/488305116.db2.gz QKPGWAULEZASEG-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)CC(=O)N(C)C)[C@@H](C)C1 ZINC000679074229 488306000 /nfs/dbraw/zinc/30/60/00/488306000.db2.gz AEKSHXZCNQZKTJ-SRVKXCTJSA-N 2 2 241.379 0.783 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)CC(=O)N(C)C)[C@@H](C)C1 ZINC000679074229 488306002 /nfs/dbraw/zinc/30/60/02/488306002.db2.gz AEKSHXZCNQZKTJ-SRVKXCTJSA-N 2 2 241.379 0.783 20 0 BCADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cn[nH]c3)[C@@H]2C1 ZINC000679364583 488347101 /nfs/dbraw/zinc/34/71/01/488347101.db2.gz HLYCEXSMESDVJP-NWDGAFQWSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cn[nH]c3)[C@@H]2C1 ZINC000679364583 488347103 /nfs/dbraw/zinc/34/71/03/488347103.db2.gz HLYCEXSMESDVJP-NWDGAFQWSA-N 2 2 220.320 0.936 20 0 BCADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cn[nH]c3)[C@@H]2C1 ZINC000679364583 488347105 /nfs/dbraw/zinc/34/71/05/488347105.db2.gz HLYCEXSMESDVJP-NWDGAFQWSA-N 2 2 220.320 0.936 20 0 BCADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cn[nH]c3)[C@@H]2C1 ZINC000679364583 488347106 /nfs/dbraw/zinc/34/71/06/488347106.db2.gz HLYCEXSMESDVJP-NWDGAFQWSA-N 2 2 220.320 0.936 20 0 BCADLP CC(C)[C@H](C(=O)NCc1[nH+]ccn1C)[C@@H](C)[NH3+] ZINC000399570352 490097438 /nfs/dbraw/zinc/09/74/38/490097438.db2.gz JXPMJEBWSOQDLI-KOLCDFICSA-N 2 2 238.335 0.656 20 0 BCADLP C[C@H](C[NH3+])N(C)CCCc1c[nH+]cn1C ZINC000314698773 490092172 /nfs/dbraw/zinc/09/21/72/490092172.db2.gz DCAQFJNRENQTQS-SNVBAGLBSA-N 2 2 210.325 0.632 20 0 BCADLP C[C@H](CN)[N@H+](C)CCCc1c[nH+]cn1C ZINC000314698773 490092177 /nfs/dbraw/zinc/09/21/77/490092177.db2.gz DCAQFJNRENQTQS-SNVBAGLBSA-N 2 2 210.325 0.632 20 0 BCADLP C[C@H](CN)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000314698773 490092182 /nfs/dbraw/zinc/09/21/82/490092182.db2.gz DCAQFJNRENQTQS-SNVBAGLBSA-N 2 2 210.325 0.632 20 0 BCADLP O=C1C[C@H](C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CN1 ZINC000660076485 490157010 /nfs/dbraw/zinc/15/70/10/490157010.db2.gz JESOWMVIGGKZEO-QWRGUYRKSA-N 2 2 248.330 0.725 20 0 BCADLP O=C1C[C@H](C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CN1 ZINC000660076485 490157012 /nfs/dbraw/zinc/15/70/12/490157012.db2.gz JESOWMVIGGKZEO-QWRGUYRKSA-N 2 2 248.330 0.725 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H](C[NH3+])C(F)(F)F)c[nH+]1 ZINC000655515235 490175177 /nfs/dbraw/zinc/17/51/77/490175177.db2.gz KVMKVXWDWWKROP-LURJTMIESA-N 2 2 236.197 0.338 20 0 BCADLP C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000662968140 490247903 /nfs/dbraw/zinc/24/79/03/490247903.db2.gz FOPJLPTXFPSBJX-ZJUUUORDSA-N 2 2 236.319 0.170 20 0 BCADLP CCc1noc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000252771094 490267681 /nfs/dbraw/zinc/26/76/81/490267681.db2.gz LLERNUDTKLMGDS-DTWKUNHWSA-N 2 2 224.308 0.801 20 0 BCADLP CCc1noc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000252771094 490267687 /nfs/dbraw/zinc/26/76/87/490267687.db2.gz LLERNUDTKLMGDS-DTWKUNHWSA-N 2 2 224.308 0.801 20 0 BCADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCC[N@H+](C)C1 ZINC000073988462 490297796 /nfs/dbraw/zinc/29/77/96/490297796.db2.gz GNOQQIKNCZRZMY-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000073988462 490297803 /nfs/dbraw/zinc/29/78/03/490297803.db2.gz GNOQQIKNCZRZMY-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP Cc1[nH+]cc(CN2CC[C@H]3C[N@H+](C)C[C@@H]32)n1C ZINC000668186625 490337852 /nfs/dbraw/zinc/33/78/52/490337852.db2.gz NMGWKBCUQHGQNI-AAEUAGOBSA-N 2 2 234.347 0.864 20 0 BCADLP Cc1[nH+]cc(CN2CC[C@H]3C[N@@H+](C)C[C@@H]32)n1C ZINC000668186625 490337855 /nfs/dbraw/zinc/33/78/55/490337855.db2.gz NMGWKBCUQHGQNI-AAEUAGOBSA-N 2 2 234.347 0.864 20 0 BCADLP [NH3+]CC1(C(=O)NCc2c[nH+]c[nH]2)CCCC1 ZINC000084080991 490365260 /nfs/dbraw/zinc/36/52/60/490365260.db2.gz RTNRPILVFHOJKC-UHFFFAOYSA-N 2 2 222.292 0.545 20 0 BCADLP [NH3+]CC1(C(=O)NCc2c[nH]c[nH+]2)CCCC1 ZINC000084080991 490365267 /nfs/dbraw/zinc/36/52/67/490365267.db2.gz RTNRPILVFHOJKC-UHFFFAOYSA-N 2 2 222.292 0.545 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1C[NH2+]CCO1 ZINC000126655681 490511729 /nfs/dbraw/zinc/51/17/29/490511729.db2.gz NFPZKPSPRYHUAE-LBPRGKRZSA-N 3 2 238.335 0.193 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1C[NH2+]CCO1 ZINC000126655681 490511735 /nfs/dbraw/zinc/51/17/35/490511735.db2.gz NFPZKPSPRYHUAE-LBPRGKRZSA-N 3 2 238.335 0.193 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CNCCO1 ZINC000126655681 490511736 /nfs/dbraw/zinc/51/17/36/490511736.db2.gz NFPZKPSPRYHUAE-LBPRGKRZSA-N 2 2 238.335 0.193 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CNCCO1 ZINC000126655681 490511740 /nfs/dbraw/zinc/51/17/40/490511740.db2.gz NFPZKPSPRYHUAE-LBPRGKRZSA-N 2 2 238.335 0.193 20 0 BCADLP C[C@H]1C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)CC[N@@H+]1C ZINC000222608497 490649166 /nfs/dbraw/zinc/64/91/66/490649166.db2.gz IBYJUUMRZORNSY-DJLDLDEBSA-N 2 2 240.269 0.982 20 0 BCADLP C[C@H]1C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)CC[N@H+]1C ZINC000222608497 490649169 /nfs/dbraw/zinc/64/91/69/490649169.db2.gz IBYJUUMRZORNSY-DJLDLDEBSA-N 2 2 240.269 0.982 20 0 BCADLP Fc1cncc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000230955247 491131065 /nfs/dbraw/zinc/13/10/65/491131065.db2.gz XBXLETBDQPYMRI-QWRGUYRKSA-N 2 2 221.279 0.872 20 0 BCADLP Cc1nc(C)c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000309628203 491153117 /nfs/dbraw/zinc/15/31/17/491153117.db2.gz GGKVGZFCAWSQJL-PHIMTYICSA-N 2 2 221.304 0.943 20 0 BCADLP Cc1nc(C)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000309628203 491153118 /nfs/dbraw/zinc/15/31/18/491153118.db2.gz GGKVGZFCAWSQJL-PHIMTYICSA-N 2 2 221.304 0.943 20 0 BCADLP COC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000309629653 491153140 /nfs/dbraw/zinc/15/31/40/491153140.db2.gz HIMSFTNFVBYTQX-NEPJUHHUSA-N 2 2 230.352 0.456 20 0 BCADLP COC[C@@H](O)C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000309629653 491153141 /nfs/dbraw/zinc/15/31/41/491153141.db2.gz HIMSFTNFVBYTQX-NEPJUHHUSA-N 2 2 230.352 0.456 20 0 BCADLP Cc1cc(C)n(CC[N@@H+](C)[C@@H](C)C[NH3+])n1 ZINC000324488419 582584065 /nfs/dbraw/zinc/58/40/65/582584065.db2.gz KWVQDJHODKNTTK-NSHDSACASA-N 2 2 210.325 0.779 20 0 BCADLP Cc1cc(C)n(CC[N@H+](C)[C@@H](C)C[NH3+])n1 ZINC000324488419 582584067 /nfs/dbraw/zinc/58/40/67/582584067.db2.gz KWVQDJHODKNTTK-NSHDSACASA-N 2 2 210.325 0.779 20 0 BCADLP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)n(C)n1 ZINC000400392623 533729437 /nfs/dbraw/zinc/72/94/37/533729437.db2.gz JGCAOWFOCWWCQA-PWSUYJOCSA-N 2 2 222.336 0.959 20 0 BCADLP COC(=O)N1CC([NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000496234738 533934966 /nfs/dbraw/zinc/93/49/66/533934966.db2.gz QGSUGDKTKASDDY-MNOVXSKESA-N 2 2 241.335 0.687 20 0 BCADLP CCn1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000261553265 536056215 /nfs/dbraw/zinc/05/62/15/536056215.db2.gz NRTQMTHZXWGVQC-CHWSQXEVSA-N 2 2 234.347 0.944 20 0 BCADLP CCn1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000261553265 536056218 /nfs/dbraw/zinc/05/62/18/536056218.db2.gz NRTQMTHZXWGVQC-CHWSQXEVSA-N 2 2 234.347 0.944 20 0 BCADLP C[C@@H]1CN(C)C[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494402325 534444989 /nfs/dbraw/zinc/44/49/89/534444989.db2.gz DOAXMBHSCLQKAJ-GRYCIOLGSA-N 2 2 234.347 0.738 20 0 BCADLP CC(=O)[C@@](C)(O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000347816106 534789065 /nfs/dbraw/zinc/78/90/65/534789065.db2.gz VZPVVGBAZCLFBI-NEPJUHHUSA-N 2 2 228.336 0.210 20 0 BCADLP CC(=O)[C@@](C)(O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000347816106 534789068 /nfs/dbraw/zinc/78/90/68/534789068.db2.gz VZPVVGBAZCLFBI-NEPJUHHUSA-N 2 2 228.336 0.210 20 0 BCADLP C[NH2+]C1CC[NH+](Cc2ccnn2C)CC1 ZINC000261537310 536439973 /nfs/dbraw/zinc/43/99/73/536439973.db2.gz VGBNPDNSGYGIDX-UHFFFAOYSA-N 2 2 208.309 0.604 20 0 BCADLP C[NH2+]CCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000262309166 536443367 /nfs/dbraw/zinc/44/33/67/536443367.db2.gz CQYDLUXBJMZERF-UHFFFAOYSA-N 2 2 236.319 0.725 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000250751920 536465606 /nfs/dbraw/zinc/46/56/06/536465606.db2.gz PEULEHKYDSBXMI-MNOVXSKESA-N 2 2 225.336 0.149 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC000250751920 536465608 /nfs/dbraw/zinc/46/56/08/536465608.db2.gz PEULEHKYDSBXMI-MNOVXSKESA-N 2 2 225.336 0.149 20 0 BCADLP CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400444350 527711405 /nfs/dbraw/zinc/71/14/05/527711405.db2.gz NFZQNCGKVPGMTK-DCAQKATOSA-N 2 2 227.352 0.630 20 0 BCADLP CC[N@@H+]1CC[C@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493152686 527811827 /nfs/dbraw/zinc/81/18/27/527811827.db2.gz NHJRVKSPSHEIJL-PGLGOXFNSA-N 2 2 248.330 0.881 20 0 BCADLP CC[N@H+]1CC[C@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493152686 527811830 /nfs/dbraw/zinc/81/18/30/527811830.db2.gz NHJRVKSPSHEIJL-PGLGOXFNSA-N 2 2 248.330 0.881 20 0 BCADLP CCN1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CC1=O ZINC000400336510 527993395 /nfs/dbraw/zinc/99/33/95/527993395.db2.gz GEMOXHIXGNWUQU-MXWKQRLJSA-N 2 2 225.336 0.337 20 0 BCADLP CC[NH+](CC)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493619132 528125965 /nfs/dbraw/zinc/12/59/65/528125965.db2.gz IVTXDKBOQVEXTQ-WAYWQWQTSA-N 2 2 236.319 0.881 20 0 BCADLP CC(C)[N@H+](C)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493612107 528817967 /nfs/dbraw/zinc/81/79/67/528817967.db2.gz ISODHBVOOUFFAL-SNAWJCMRSA-N 2 2 236.319 0.879 20 0 BCADLP CC(C)[N@@H+](C)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493612107 528817970 /nfs/dbraw/zinc/81/79/70/528817970.db2.gz ISODHBVOOUFFAL-SNAWJCMRSA-N 2 2 236.319 0.879 20 0 BCADLP CCOC(=O)N1CCC[N@H+](CC(C)(C)[NH3+])CC1 ZINC000496945719 528967989 /nfs/dbraw/zinc/96/79/89/528967989.db2.gz BDIBFYNVRVEYLN-UHFFFAOYSA-N 2 2 243.351 0.888 20 0 BCADLP CCOC(=O)N1CCC[N@@H+](CC(C)(C)[NH3+])CC1 ZINC000496945719 528967996 /nfs/dbraw/zinc/96/79/96/528967996.db2.gz BDIBFYNVRVEYLN-UHFFFAOYSA-N 2 2 243.351 0.888 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493825647 528982214 /nfs/dbraw/zinc/98/22/14/528982214.db2.gz QFOJBXGQXFCOHX-ARJAWSKDSA-N 2 2 234.303 0.632 20 0 BCADLP CC[NH+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493001011 529110660 /nfs/dbraw/zinc/11/06/60/529110660.db2.gz AFSREZGMCFFSDZ-ARJAWSKDSA-N 2 2 234.303 0.587 20 0 BCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N(C)C ZINC000227737133 535063026 /nfs/dbraw/zinc/06/30/26/535063026.db2.gz LIDYYKJLBMIDEQ-SNVBAGLBSA-N 2 2 215.341 0.380 20 0 BCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N(C)C ZINC000227737133 535063031 /nfs/dbraw/zinc/06/30/31/535063031.db2.gz LIDYYKJLBMIDEQ-SNVBAGLBSA-N 2 2 215.341 0.380 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886489 535434415 /nfs/dbraw/zinc/43/44/15/535434415.db2.gz VQZWQXJTHZMFSM-MNOVXSKESA-N 2 2 227.352 0.524 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886489 535434420 /nfs/dbraw/zinc/43/44/20/535434420.db2.gz VQZWQXJTHZMFSM-MNOVXSKESA-N 2 2 227.352 0.524 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CCOCC[NH+](C)C)[C@@H](C)C1 ZINC000349189144 535783983 /nfs/dbraw/zinc/78/39/83/535783983.db2.gz FEWZOYQLRVOSCX-STQMWFEESA-N 3 2 243.395 0.494 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]CCOCC[NH+](C)C)[C@@H](C)C1 ZINC000349189144 535783986 /nfs/dbraw/zinc/78/39/86/535783986.db2.gz FEWZOYQLRVOSCX-STQMWFEESA-N 3 2 243.395 0.494 20 0 BCADLP CCn1cc(C[N@H+](C)CCC[NH2+]C)cn1 ZINC000087472754 536046474 /nfs/dbraw/zinc/04/64/74/536046474.db2.gz RRWORYHJPPHJBO-UHFFFAOYSA-N 2 2 210.325 0.944 20 0 BCADLP CCn1cc(C[N@@H+](C)CCC[NH2+]C)cn1 ZINC000087472754 536046476 /nfs/dbraw/zinc/04/64/76/536046476.db2.gz RRWORYHJPPHJBO-UHFFFAOYSA-N 2 2 210.325 0.944 20 0 BCADLP COC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167654204 536472474 /nfs/dbraw/zinc/47/24/74/536472474.db2.gz MLLZMWJLCDYEFY-BDAKNGLRSA-N 2 2 200.282 0.076 20 0 BCADLP COC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167654204 536472477 /nfs/dbraw/zinc/47/24/77/536472477.db2.gz MLLZMWJLCDYEFY-BDAKNGLRSA-N 2 2 200.282 0.076 20 0 BCADLP COC[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000261980997 536784601 /nfs/dbraw/zinc/78/46/01/536784601.db2.gz RHRWNXADIHJNFJ-AVGNSLFASA-N 2 2 242.363 0.722 20 0 BCADLP COC[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000261981004 536785699 /nfs/dbraw/zinc/78/56/99/536785699.db2.gz RHRWNXADIHJNFJ-XQQFMLRXSA-N 2 2 242.363 0.722 20 0 BCADLP COC[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000261981004 536785704 /nfs/dbraw/zinc/78/57/04/536785704.db2.gz RHRWNXADIHJNFJ-XQQFMLRXSA-N 2 2 242.363 0.722 20 0 BCADLP COC[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000261980997 536784595 /nfs/dbraw/zinc/78/45/95/536784595.db2.gz RHRWNXADIHJNFJ-AVGNSLFASA-N 2 2 242.363 0.722 20 0 BCADLP COC[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@H](C)O1 ZINC000262093890 536784714 /nfs/dbraw/zinc/78/47/14/536784714.db2.gz UZUYHFULUDPQRP-RWMBFGLXSA-N 2 2 242.363 0.722 20 0 BCADLP COC[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@H](C)O1 ZINC000262093890 536784720 /nfs/dbraw/zinc/78/47/20/536784720.db2.gz UZUYHFULUDPQRP-RWMBFGLXSA-N 2 2 242.363 0.722 20 0 BCADLP COC[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@@H](C)O1 ZINC000262093889 536784750 /nfs/dbraw/zinc/78/47/50/536784750.db2.gz UZUYHFULUDPQRP-FRRDWIJNSA-N 2 2 242.363 0.722 20 0 BCADLP COC[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@@H](C)O1 ZINC000262093889 536784756 /nfs/dbraw/zinc/78/47/56/536784756.db2.gz UZUYHFULUDPQRP-FRRDWIJNSA-N 2 2 242.363 0.722 20 0 BCADLP CCc1nn(C)cc1C[NH2+]CCn1cc[nH+]c1 ZINC000092355233 566314295 /nfs/dbraw/zinc/31/42/95/566314295.db2.gz MCXCQDVXSUPAAZ-UHFFFAOYSA-N 2 2 233.319 0.969 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H](COC)C1CC1 ZINC000309907629 566342157 /nfs/dbraw/zinc/34/21/57/566342157.db2.gz LDJODKNXKFJROD-GFCCVEGCSA-N 2 2 230.352 0.315 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H](COC)C1CC1 ZINC000309907629 566342162 /nfs/dbraw/zinc/34/21/62/566342162.db2.gz LDJODKNXKFJROD-GFCCVEGCSA-N 2 2 230.352 0.315 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000893645944 583185538 /nfs/dbraw/zinc/18/55/38/583185538.db2.gz BSOHWEHVHXJYHM-UHFFFAOYSA-N 3 2 243.395 0.232 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000893645944 583185541 /nfs/dbraw/zinc/18/55/41/583185541.db2.gz BSOHWEHVHXJYHM-UHFFFAOYSA-N 3 2 243.395 0.232 20 0 BCADLP C[NH+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000854145347 588776918 /nfs/dbraw/zinc/77/69/18/588776918.db2.gz WXUOPCHVEWYLQO-UHFFFAOYSA-N 2 2 210.281 0.020 20 0 BCADLP COC(=O)N(C)CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000854227767 588780890 /nfs/dbraw/zinc/78/08/90/588780890.db2.gz PPCSNBZWSNKBNE-NXEZZACHSA-N 2 2 229.324 0.272 20 0 BCADLP CC[N@@H+]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000854423427 588786416 /nfs/dbraw/zinc/78/64/16/588786416.db2.gz VPUYGMBECRCVAR-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP CC[N@H+]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000854423427 588786417 /nfs/dbraw/zinc/78/64/17/588786417.db2.gz VPUYGMBECRCVAR-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854944276 588817556 /nfs/dbraw/zinc/81/75/56/588817556.db2.gz JHGWNJDLGRQKSD-SECBINFHSA-N 2 2 222.292 0.163 20 0 BCADLP CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854944276 588817557 /nfs/dbraw/zinc/81/75/57/588817557.db2.gz JHGWNJDLGRQKSD-SECBINFHSA-N 2 2 222.292 0.163 20 0 BCADLP C[NH+](C)C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000854954648 588818747 /nfs/dbraw/zinc/81/87/47/588818747.db2.gz IBDYJIIDJZWICI-UHFFFAOYSA-N 2 2 222.292 0.163 20 0 BCADLP C/C=C(/C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855414508 588832053 /nfs/dbraw/zinc/83/20/53/588832053.db2.gz FLWUUHWLPLTESD-SDQBBNPISA-N 2 2 241.379 0.952 20 0 BCADLP C/C=C(/C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855414508 588832054 /nfs/dbraw/zinc/83/20/54/588832054.db2.gz FLWUUHWLPLTESD-SDQBBNPISA-N 2 2 241.379 0.952 20 0 BCADLP CC(C)[C@@H]([NH3+])CNC(=O)NCc1c[nH+]cn1C ZINC000892020259 582763594 /nfs/dbraw/zinc/76/35/94/582763594.db2.gz UZMJCTKDVRKTFB-JTQLQIEISA-N 2 2 239.323 0.203 20 0 BCADLP C[C@@H](CNc1cc(N(C)C)[nH+]cn1)[NH+](C)C ZINC000892028842 582765946 /nfs/dbraw/zinc/76/59/46/582765946.db2.gz QWQJGMOCZNKSGJ-VIFPVBQESA-N 2 2 223.324 0.905 20 0 BCADLP CC[C@@H]([NH3+])CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000892143613 582799860 /nfs/dbraw/zinc/79/98/60/582799860.db2.gz DTZUTUYOUMKWQW-MRVPVSSYSA-N 2 2 225.296 0.288 20 0 BCADLP Cn1nc2c(c1C[NH+]1C[C@@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000892250574 582813509 /nfs/dbraw/zinc/81/35/09/582813509.db2.gz AKQVAIDWNOAORS-QWRGUYRKSA-N 2 2 246.358 0.560 20 0 BCADLP [NH2+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC1 ZINC000848992332 582819509 /nfs/dbraw/zinc/81/95/09/582819509.db2.gz NXDZRLMSMMGTIH-UHFFFAOYSA-N 2 2 247.346 0.992 20 0 BCADLP COCCOC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000892720799 582968089 /nfs/dbraw/zinc/96/80/89/582968089.db2.gz GEEGDJGTBHVIRN-VXGBXAGGSA-N 2 2 230.352 0.722 20 0 BCADLP COCCOC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000892720799 582968090 /nfs/dbraw/zinc/96/80/90/582968090.db2.gz GEEGDJGTBHVIRN-VXGBXAGGSA-N 2 2 230.352 0.722 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccccn2)C1 ZINC000853109406 583028487 /nfs/dbraw/zinc/02/84/87/583028487.db2.gz ZXHFGZGIFWFMMF-WCQYABFASA-N 2 2 235.331 0.799 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccccn2)C1 ZINC000853109406 583028488 /nfs/dbraw/zinc/02/84/88/583028488.db2.gz ZXHFGZGIFWFMMF-WCQYABFASA-N 2 2 235.331 0.799 20 0 BCADLP CCn1ncc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000857084700 588886470 /nfs/dbraw/zinc/88/64/70/588886470.db2.gz XZRYLVLNERBNAJ-NXEZZACHSA-N 2 2 223.324 0.467 20 0 BCADLP CCn1ncc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000857084700 588886471 /nfs/dbraw/zinc/88/64/71/588886471.db2.gz XZRYLVLNERBNAJ-NXEZZACHSA-N 2 2 223.324 0.467 20 0 BCADLP CCn1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000857084416 588886511 /nfs/dbraw/zinc/88/65/11/588886511.db2.gz SBLMHZKKAGSMIT-DRZSPHRISA-N 2 2 249.362 0.857 20 0 BCADLP CCn1ncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000857084416 588886512 /nfs/dbraw/zinc/88/65/12/588886512.db2.gz SBLMHZKKAGSMIT-DRZSPHRISA-N 2 2 249.362 0.857 20 0 BCADLP CCn1ncc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000857084433 588886262 /nfs/dbraw/zinc/88/62/62/588886262.db2.gz SLVFPKYSNOYDOG-VHSXEESVSA-N 2 2 223.324 0.467 20 0 BCADLP CCn1ncc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000857084433 588886264 /nfs/dbraw/zinc/88/62/64/588886264.db2.gz SLVFPKYSNOYDOG-VHSXEESVSA-N 2 2 223.324 0.467 20 0 BCADLP CCn1ncc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000857085215 588886390 /nfs/dbraw/zinc/88/63/90/588886390.db2.gz BHQIDASECDBLQF-WDEREUQCSA-N 2 2 237.351 0.715 20 0 BCADLP CCn1ncc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000857085215 588886392 /nfs/dbraw/zinc/88/63/92/588886392.db2.gz BHQIDASECDBLQF-WDEREUQCSA-N 2 2 237.351 0.715 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+]([C@H]1CCOC1=O)C2 ZINC000857087812 588887134 /nfs/dbraw/zinc/88/71/34/588887134.db2.gz VTNTXQUMMRAHET-YWVKMMECSA-N 2 2 210.277 0.115 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@H+]([C@H]1CCOC1=O)C2 ZINC000857087812 588887135 /nfs/dbraw/zinc/88/71/35/588887135.db2.gz VTNTXQUMMRAHET-YWVKMMECSA-N 2 2 210.277 0.115 20 0 BCADLP C[N@@H+]1CC[C@@H]2CN(Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC000877744724 583346311 /nfs/dbraw/zinc/34/63/11/583346311.db2.gz XGZCYTJFBXAWIL-MNOVXSKESA-N 2 2 220.320 0.936 20 0 BCADLP C[N@H+]1CC[C@@H]2CN(Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC000877744724 583346315 /nfs/dbraw/zinc/34/63/15/583346315.db2.gz XGZCYTJFBXAWIL-MNOVXSKESA-N 2 2 220.320 0.936 20 0 BCADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)[C@H](C)N1CCOCC1 ZINC000894245819 583389820 /nfs/dbraw/zinc/38/98/20/583389820.db2.gz DZGBAWWWVLDJPI-MNOVXSKESA-N 2 2 238.335 0.609 20 0 BCADLP Cc1ncoc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000894469956 583469119 /nfs/dbraw/zinc/46/91/19/583469119.db2.gz SHEHIRCRCPMZLE-LLVKDONJSA-N 2 2 225.292 0.139 20 0 BCADLP Cc1ncoc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000894469956 583469121 /nfs/dbraw/zinc/46/91/21/583469121.db2.gz SHEHIRCRCPMZLE-LLVKDONJSA-N 2 2 225.292 0.139 20 0 BCADLP CCN(C)C(=O)C[NH2+]Cc1c(C)cc[nH+]c1N ZINC000894490407 583472122 /nfs/dbraw/zinc/47/21/22/583472122.db2.gz CYYFRBJMAZUDCU-UHFFFAOYSA-N 2 2 236.319 0.540 20 0 BCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H]1CCC(=O)O1 ZINC000880140944 583472522 /nfs/dbraw/zinc/47/25/22/583472522.db2.gz FVDBMFSJSNRIKT-IJLUTSLNSA-N 2 2 238.331 0.861 20 0 BCADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H]1CCC(=O)O1 ZINC000880140944 583472524 /nfs/dbraw/zinc/47/25/24/583472524.db2.gz FVDBMFSJSNRIKT-IJLUTSLNSA-N 2 2 238.331 0.861 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H]1CCC(=O)O1 ZINC000880140944 583472526 /nfs/dbraw/zinc/47/25/26/583472526.db2.gz FVDBMFSJSNRIKT-IJLUTSLNSA-N 2 2 238.331 0.861 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@H]1CCC(=O)O1 ZINC000880140944 583472528 /nfs/dbraw/zinc/47/25/28/583472528.db2.gz FVDBMFSJSNRIKT-IJLUTSLNSA-N 2 2 238.331 0.861 20 0 BCADLP C[C@@H](CCO)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000894667717 583502607 /nfs/dbraw/zinc/50/26/07/583502607.db2.gz KJQGIZBTGDWDTM-NWDGAFQWSA-N 2 2 230.352 0.194 20 0 BCADLP C[C@@H](CCO)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000894667717 583502609 /nfs/dbraw/zinc/50/26/09/583502609.db2.gz KJQGIZBTGDWDTM-NWDGAFQWSA-N 2 2 230.352 0.194 20 0 BCADLP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1c[nH+]c[nH]1 ZINC000894691634 583507579 /nfs/dbraw/zinc/50/75/79/583507579.db2.gz ZQJNGSIRFQSKLY-MWLCHTKSSA-N 2 2 241.335 0.657 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@@H+](C)[C@H](C)CO ZINC000894770414 583516611 /nfs/dbraw/zinc/51/66/11/583516611.db2.gz MNCPEPRNKNOTMM-SECBINFHSA-N 2 2 209.293 0.785 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@H+](C)[C@H](C)CO ZINC000894770414 583516613 /nfs/dbraw/zinc/51/66/13/583516613.db2.gz MNCPEPRNKNOTMM-SECBINFHSA-N 2 2 209.293 0.785 20 0 BCADLP O[C@H]1CC[N@H+](CCNc2nccn3c[nH+]cc23)C1 ZINC000894833769 583528948 /nfs/dbraw/zinc/52/89/48/583528948.db2.gz YOSCGIMKZWGBEO-JTQLQIEISA-N 2 2 247.302 0.208 20 0 BCADLP O[C@H]1CC[N@@H+](CCNc2nccn3c[nH+]cc23)C1 ZINC000894833769 583528949 /nfs/dbraw/zinc/52/89/49/583528949.db2.gz YOSCGIMKZWGBEO-JTQLQIEISA-N 2 2 247.302 0.208 20 0 BCADLP CC(=O)OC[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000894843349 583530908 /nfs/dbraw/zinc/53/09/08/583530908.db2.gz MMFDORBLSHPZIR-VIFPVBQESA-N 2 2 225.292 0.504 20 0 BCADLP CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1c[nH+]c[nH]1 ZINC000894889608 583548162 /nfs/dbraw/zinc/54/81/62/583548162.db2.gz VSMSVDJSKBCVAB-MWLCHTKSSA-N 2 2 225.292 0.551 20 0 BCADLP O=C1NCCC[C@H]1C[NH2+]Cc1c[nH+]c[nH]1 ZINC000894983364 583564817 /nfs/dbraw/zinc/56/48/17/583564817.db2.gz CICMEQBGXMBLPO-QMMMGPOBSA-N 2 2 208.265 0.026 20 0 BCADLP COC(=O)C1(C)C[NH+](Cc2c(C)cc[nH+]c2N)C1 ZINC000895056809 583575155 /nfs/dbraw/zinc/57/51/55/583575155.db2.gz BWTNMURFCPRVJF-UHFFFAOYSA-N 2 2 249.314 0.967 20 0 BCADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)C1N=NC(=O)N1C ZINC000895177412 583616251 /nfs/dbraw/zinc/61/62/51/583616251.db2.gz RTBSJLKTSYEDIC-MRVPVSSYSA-N 2 2 239.323 0.266 20 0 BCADLP Cc1cncc(CC[NH2+]Cc2c[nH+]c[nH]2)n1 ZINC000895280268 583636048 /nfs/dbraw/zinc/63/60/48/583636048.db2.gz PZWDVLWPIVXMAC-UHFFFAOYSA-N 2 2 217.276 0.840 20 0 BCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000895428732 583668718 /nfs/dbraw/zinc/66/87/18/583668718.db2.gz VILGPBPCHBQKCC-NSHDSACASA-N 2 2 239.363 0.633 20 0 BCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000895428732 583668719 /nfs/dbraw/zinc/66/87/19/583668719.db2.gz VILGPBPCHBQKCC-NSHDSACASA-N 2 2 239.363 0.633 20 0 BCADLP C[NH+](C)C1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCC1 ZINC000857885958 588921352 /nfs/dbraw/zinc/92/13/52/588921352.db2.gz QXAJPFHMBQGSJN-SNVBAGLBSA-N 2 2 248.330 0.408 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CCCn3nncc3C2)n1C ZINC000895756954 583720754 /nfs/dbraw/zinc/72/07/54/583720754.db2.gz NBIWTRRZJGVSSQ-UHFFFAOYSA-N 2 2 246.318 0.726 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CCCn3nncc3C2)n1C ZINC000895756954 583720755 /nfs/dbraw/zinc/72/07/55/583720755.db2.gz NBIWTRRZJGVSSQ-UHFFFAOYSA-N 2 2 246.318 0.726 20 0 BCADLP CN(C)c1cc[nH+]c(NC[C@@H]2CC[N@@H+]2C)n1 ZINC000895771856 583724752 /nfs/dbraw/zinc/72/47/52/583724752.db2.gz RAOWZLLJAGGMNF-VIFPVBQESA-N 2 2 221.308 0.659 20 0 BCADLP CN(C)c1cc[nH+]c(NC[C@@H]2CC[N@H+]2C)n1 ZINC000895771856 583724754 /nfs/dbraw/zinc/72/47/54/583724754.db2.gz RAOWZLLJAGGMNF-VIFPVBQESA-N 2 2 221.308 0.659 20 0 BCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857979545 588927206 /nfs/dbraw/zinc/92/72/06/588927206.db2.gz CWASPWAEQXVEAA-QWRGUYRKSA-N 2 2 248.330 0.928 20 0 BCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857979545 588927208 /nfs/dbraw/zinc/92/72/08/588927208.db2.gz CWASPWAEQXVEAA-QWRGUYRKSA-N 2 2 248.330 0.928 20 0 BCADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000896304419 583789720 /nfs/dbraw/zinc/78/97/20/583789720.db2.gz NEZFAUYBBNHXQM-SECBINFHSA-N 2 2 236.319 0.899 20 0 BCADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000896304419 583789721 /nfs/dbraw/zinc/78/97/21/583789721.db2.gz NEZFAUYBBNHXQM-SECBINFHSA-N 2 2 236.319 0.899 20 0 BCADLP CC(=O)OC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000896552719 583810867 /nfs/dbraw/zinc/81/08/67/583810867.db2.gz HHCFZNUVYUKUKT-NGZCFLSTSA-N 2 2 214.309 0.620 20 0 BCADLP CC(=O)OC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000896552719 583810869 /nfs/dbraw/zinc/81/08/69/583810869.db2.gz HHCFZNUVYUKUKT-NGZCFLSTSA-N 2 2 214.309 0.620 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]1C)[C@@H]1CCOC1 ZINC000896553692 583811487 /nfs/dbraw/zinc/81/14/87/583811487.db2.gz GFISRCWABGMDBN-UMSGYPCISA-N 2 2 242.363 0.720 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C)[C@@H]1CCOC1 ZINC000896553692 583811489 /nfs/dbraw/zinc/81/14/89/583811489.db2.gz GFISRCWABGMDBN-UMSGYPCISA-N 2 2 242.363 0.720 20 0 BCADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H]2C)[C@H]1OC ZINC000896555635 583812284 /nfs/dbraw/zinc/81/22/84/583812284.db2.gz QERNJNGMWKZSOL-JZRPKSSGSA-N 2 2 242.363 0.861 20 0 BCADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H]2C)[C@H]1OC ZINC000896555635 583812285 /nfs/dbraw/zinc/81/22/85/583812285.db2.gz QERNJNGMWKZSOL-JZRPKSSGSA-N 2 2 242.363 0.861 20 0 BCADLP CCO[C@@H](C[NH2+][C@H](C)COC(C)=O)C[NH+](C)C ZINC000896878410 583844587 /nfs/dbraw/zinc/84/45/87/583844587.db2.gz PQDQBHNUIMIJLA-PWSUYJOCSA-N 2 2 246.351 0.494 20 0 BCADLP CC[NH+](CC)CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896919632 583855813 /nfs/dbraw/zinc/85/58/13/583855813.db2.gz VKJYKKISRSHFFR-UHFFFAOYSA-N 2 2 238.335 0.985 20 0 BCADLP CONC(=O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000896926359 583859151 /nfs/dbraw/zinc/85/91/51/583859151.db2.gz ISGOMBSMZIWVIH-UHFFFAOYSA-N 2 2 243.351 0.517 20 0 BCADLP CCn1c[nH+]cc1C[NH2+][C@H](C)C(=O)N(C)OC ZINC000858324122 588945389 /nfs/dbraw/zinc/94/53/89/588945389.db2.gz RZRKWFJDTRKHER-SECBINFHSA-N 2 2 240.307 0.401 20 0 BCADLP C[C@H]1C[C@H]1NC(=[NH2+])NCc1c[nH+]cn1C ZINC000864467388 584008907 /nfs/dbraw/zinc/00/89/07/584008907.db2.gz SKFDHXPKUBVIJJ-IONNQARKSA-N 2 2 207.281 0.442 20 0 BCADLP Cn1cc[nH+]c1CNc1cc[nH+]c(CO)c1 ZINC000858390688 588951021 /nfs/dbraw/zinc/95/10/21/588951021.db2.gz MFODFSPLKBAYFB-UHFFFAOYSA-N 2 2 218.260 0.920 20 0 BCADLP C[NH+](C)C1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000897667649 584035460 /nfs/dbraw/zinc/03/54/60/584035460.db2.gz SGGDAVONSYCOKR-JPPWEJMLSA-N 2 2 248.330 0.722 20 0 BCADLP C[NH+](C)C1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000897667649 584035461 /nfs/dbraw/zinc/03/54/61/584035461.db2.gz SGGDAVONSYCOKR-JPPWEJMLSA-N 2 2 248.330 0.722 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)n1C ZINC000897679934 584037013 /nfs/dbraw/zinc/03/70/13/584037013.db2.gz NFYHIPWAFJUWME-KWQFWETISA-N 2 2 209.293 0.541 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2C[C@H](O)[C@@H](C)C2)n1C ZINC000897679934 584037014 /nfs/dbraw/zinc/03/70/14/584037014.db2.gz NFYHIPWAFJUWME-KWQFWETISA-N 2 2 209.293 0.541 20 0 BCADLP C[C@H]1C[N@H+](Cc2c[nH+]c3n2CCC3)C[C@@H]1O ZINC000897679411 584037191 /nfs/dbraw/zinc/03/71/91/584037191.db2.gz KDQVMXDUYLHNFB-ONGXEEELSA-N 2 2 221.304 0.642 20 0 BCADLP C[C@H]1C[N@@H+](Cc2c[nH+]c3n2CCC3)C[C@@H]1O ZINC000897679411 584037193 /nfs/dbraw/zinc/03/71/93/584037193.db2.gz KDQVMXDUYLHNFB-ONGXEEELSA-N 2 2 221.304 0.642 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000897680840 584038446 /nfs/dbraw/zinc/03/84/46/584038446.db2.gz WVWAKOUMYUQMRQ-ONGXEEELSA-N 2 2 221.304 0.785 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000897680840 584038448 /nfs/dbraw/zinc/03/84/48/584038448.db2.gz WVWAKOUMYUQMRQ-ONGXEEELSA-N 2 2 221.304 0.785 20 0 BCADLP C[C@]1([NH2+]Cc2c[nH+]c3n2CCC3)CCNC1=O ZINC000897870135 584056282 /nfs/dbraw/zinc/05/62/82/584056282.db2.gz YAMPMCSSHBTRCP-LBPRGKRZSA-N 2 2 234.303 0.198 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CC[C@H](O)C2CC2)n1C ZINC000898199333 584098772 /nfs/dbraw/zinc/09/87/72/584098772.db2.gz LZZVBTIJSUAVNQ-LBPRGKRZSA-N 2 2 223.320 0.979 20 0 BCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000898810834 584160262 /nfs/dbraw/zinc/16/02/62/584160262.db2.gz PBULOKFZTFWMMZ-WDEREUQCSA-N 2 2 248.330 0.786 20 0 BCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000898810834 584160263 /nfs/dbraw/zinc/16/02/63/584160263.db2.gz PBULOKFZTFWMMZ-WDEREUQCSA-N 2 2 248.330 0.786 20 0 BCADLP C[C@H](C[C@@H]1CCOC1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000858546932 588964338 /nfs/dbraw/zinc/96/43/38/588964338.db2.gz BMMFJBGOTMOIPP-FRRDWIJNSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H](C[C@@H]1CCOC1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000858546932 588964339 /nfs/dbraw/zinc/96/43/39/588964339.db2.gz BMMFJBGOTMOIPP-FRRDWIJNSA-N 2 2 242.363 0.458 20 0 BCADLP CON(C)C(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000858580033 588968786 /nfs/dbraw/zinc/96/87/86/588968786.db2.gz VVVCLZBORGFMBM-DCAQKATOSA-N 2 2 243.351 0.467 20 0 BCADLP CON(C)C(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000858580033 588968787 /nfs/dbraw/zinc/96/87/87/588968787.db2.gz VVVCLZBORGFMBM-DCAQKATOSA-N 2 2 243.351 0.467 20 0 BCADLP [NH3+][C@@H](Cc1nc(C2([NH3+])CCCC2)no1)C(F)F ZINC000900005297 584264455 /nfs/dbraw/zinc/26/44/55/584264455.db2.gz FCLKOKMVJLALDB-LURJTMIESA-N 2 2 246.261 0.933 20 0 BCADLP CC(C)[N@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900185417 584284395 /nfs/dbraw/zinc/28/43/95/584284395.db2.gz FASQNCIAXIMEIB-UHFFFAOYSA-N 2 2 238.335 0.799 20 0 BCADLP CC(C)[N@@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900185417 584284400 /nfs/dbraw/zinc/28/44/00/584284400.db2.gz FASQNCIAXIMEIB-UHFFFAOYSA-N 2 2 238.335 0.799 20 0 BCADLP CC(C)[N@H+](C)CCCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900185417 584284402 /nfs/dbraw/zinc/28/44/02/584284402.db2.gz FASQNCIAXIMEIB-UHFFFAOYSA-N 2 2 238.335 0.799 20 0 BCADLP CC(C)[N@@H+](C)CCCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900185417 584284404 /nfs/dbraw/zinc/28/44/04/584284404.db2.gz FASQNCIAXIMEIB-UHFFFAOYSA-N 2 2 238.335 0.799 20 0 BCADLP O=C(Cc1c[nH+]c[nH]1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000900216867 584286436 /nfs/dbraw/zinc/28/64/36/584286436.db2.gz YFVAHBPNLVFEIK-NWDGAFQWSA-N 2 2 248.330 0.695 20 0 BCADLP O=C(Cc1c[nH+]c[nH]1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000900216867 584286437 /nfs/dbraw/zinc/28/64/37/584286437.db2.gz YFVAHBPNLVFEIK-NWDGAFQWSA-N 2 2 248.330 0.695 20 0 BCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000900216867 584286438 /nfs/dbraw/zinc/28/64/38/584286438.db2.gz YFVAHBPNLVFEIK-NWDGAFQWSA-N 2 2 248.330 0.695 20 0 BCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000900216867 584286439 /nfs/dbraw/zinc/28/64/39/584286439.db2.gz YFVAHBPNLVFEIK-NWDGAFQWSA-N 2 2 248.330 0.695 20 0 BCADLP C[NH+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900523032 584318344 /nfs/dbraw/zinc/31/83/44/584318344.db2.gz LJNXYNOGIOHIOK-NSHDSACASA-N 2 2 236.319 0.505 20 0 BCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000900518914 584320821 /nfs/dbraw/zinc/32/08/21/584320821.db2.gz GCOFAVKUDYCWFS-LBPRGKRZSA-N 2 2 248.330 0.649 20 0 BCADLP C[NH+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900531340 584323365 /nfs/dbraw/zinc/32/33/65/584323365.db2.gz ZFPJAVUJIBFQCA-NSHDSACASA-N 2 2 236.319 0.505 20 0 BCADLP CN(CC[NH+]1CCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900562430 584325348 /nfs/dbraw/zinc/32/53/48/584325348.db2.gz WZFBDFFJRAKTMA-UHFFFAOYSA-N 2 2 236.319 0.506 20 0 BCADLP C[N@@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900695478 584338701 /nfs/dbraw/zinc/33/87/01/584338701.db2.gz OVYLQSKKHFPJBP-JTQLQIEISA-N 2 2 222.292 0.163 20 0 BCADLP C[N@@H+]1CCC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900695478 584338703 /nfs/dbraw/zinc/33/87/03/584338703.db2.gz OVYLQSKKHFPJBP-JTQLQIEISA-N 2 2 222.292 0.163 20 0 BCADLP C[N@H+]1CCC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900695478 584338704 /nfs/dbraw/zinc/33/87/04/584338704.db2.gz OVYLQSKKHFPJBP-JTQLQIEISA-N 2 2 222.292 0.163 20 0 BCADLP O=C(N1CC(n2cc[nH+]c2)C1)C12CC[NH+](CC1)C2 ZINC000900719358 584344296 /nfs/dbraw/zinc/34/42/96/584344296.db2.gz WSUVQAFKJQQEOM-UHFFFAOYSA-N 2 2 246.314 0.362 20 0 BCADLP CN(CCCC[NH+](C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900769857 584349320 /nfs/dbraw/zinc/34/93/20/584349320.db2.gz QKTCCYQCYLOHOS-UHFFFAOYSA-N 2 2 238.335 0.752 20 0 BCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901305700 584419792 /nfs/dbraw/zinc/41/97/92/584419792.db2.gz ITUUXIBAJRVRRY-NXEZZACHSA-N 2 2 236.319 0.503 20 0 BCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901305700 584419793 /nfs/dbraw/zinc/41/97/93/584419793.db2.gz ITUUXIBAJRVRRY-NXEZZACHSA-N 2 2 236.319 0.503 20 0 BCADLP Cn1cnnc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902338097 584565831 /nfs/dbraw/zinc/56/58/31/584565831.db2.gz LCFQLNAEYGKBLH-SNVBAGLBSA-N 2 2 237.351 0.683 20 0 BCADLP Cc1cc([C@@H](C)[NH2+]CC2([NH3+])CC2)n(C)n1 ZINC000902407143 584573803 /nfs/dbraw/zinc/57/38/03/584573803.db2.gz PRPXIPBPUFJUCE-SECBINFHSA-N 2 2 208.309 0.870 20 0 BCADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1cc2n(n1)CCC2 ZINC000902406062 584573999 /nfs/dbraw/zinc/57/39/99/584573999.db2.gz KLVZIYJSHYIICN-SECBINFHSA-N 2 2 220.320 0.971 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902398916 584586342 /nfs/dbraw/zinc/58/63/42/584586342.db2.gz LYIKISKLEISASZ-GHMZBOCLSA-N 3 2 213.369 0.962 20 0 BCADLP C[N@@H+]1CC[C@H]([NH2+]CC2([NH3+])CC2)[C@H]2CCC[C@H]21 ZINC000902403594 584587940 /nfs/dbraw/zinc/58/79/40/584587940.db2.gz ADXBKRRBSLLXCP-GRYCIOLGSA-N 3 2 223.364 0.940 20 0 BCADLP C[N@H+]1CC[C@H]([NH2+]CC2([NH3+])CC2)[C@H]2CCC[C@H]21 ZINC000902403594 584587941 /nfs/dbraw/zinc/58/79/41/584587941.db2.gz ADXBKRRBSLLXCP-GRYCIOLGSA-N 3 2 223.364 0.940 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902402475 584588232 /nfs/dbraw/zinc/58/82/32/584588232.db2.gz LUCJDANNELYITC-IJLUTSLNSA-N 3 2 225.380 0.962 20 0 BCADLP [NH3+]C1(C[NH2+][C@@H]2CCCc3n[nH]cc32)CC1 ZINC000902404071 584588320 /nfs/dbraw/zinc/58/83/20/584588320.db2.gz BYMGCLLSDICNJV-SECBINFHSA-N 2 2 206.293 0.868 20 0 BCADLP C[C@H]1C[C@@H](NCC2([NH3+])CC2)c2[nH+]ccn21 ZINC000902404219 584588641 /nfs/dbraw/zinc/58/86/41/584588641.db2.gz CXHZWXJNGPKFSW-DTWKUNHWSA-N 2 2 206.293 0.970 20 0 BCADLP CCn1c[nH+]c(CNC[C@](C)(O)C[NH+](C)C)c1 ZINC000902404674 584588776 /nfs/dbraw/zinc/58/87/76/584588776.db2.gz ASSWAHNUZVQZFB-LBPRGKRZSA-N 2 2 240.351 0.305 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCON ZINC000902418811 584592003 /nfs/dbraw/zinc/59/20/03/584592003.db2.gz NMGJFYQZFUIEEL-GXSJLCMTSA-N 2 2 213.325 0.339 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCON ZINC000902418811 584592010 /nfs/dbraw/zinc/59/20/10/584592010.db2.gz NMGJFYQZFUIEEL-GXSJLCMTSA-N 2 2 213.325 0.339 20 0 BCADLP O[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000902431105 584595351 /nfs/dbraw/zinc/59/53/51/584595351.db2.gz RGKQURMTUABFPN-FRRDWIJNSA-N 2 2 242.363 0.506 20 0 BCADLP C([NH2+][C@@H]1C[NH2+]CCOC1)[C@@H]1CC[C@@H](C2CC2)O1 ZINC000902431658 584595516 /nfs/dbraw/zinc/59/55/16/584595516.db2.gz TXFLZWVFGLYXDT-AGIUHOORSA-N 2 2 240.347 0.522 20 0 BCADLP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902440829 584597013 /nfs/dbraw/zinc/59/70/13/584597013.db2.gz APBPXNRDBSSDRY-WDEREUQCSA-N 3 2 229.368 0.328 20 0 BCADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cnn(CCF)c1 ZINC000902447036 584604281 /nfs/dbraw/zinc/60/42/81/584604281.db2.gz QNQQFPBBRMUQPL-QWRGUYRKSA-N 2 2 226.299 0.822 20 0 BCADLP Cn1cnc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000902462982 584612001 /nfs/dbraw/zinc/61/20/01/584612001.db2.gz YLMPJBHIFKXFDR-WDEREUQCSA-N 2 2 220.320 0.780 20 0 BCADLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902467647 584614554 /nfs/dbraw/zinc/61/45/54/584614554.db2.gz QJSIYTCAYOTOKK-FPYNETTCSA-N 3 2 223.364 0.857 20 0 BCADLP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466814 584614736 /nfs/dbraw/zinc/61/47/36/584614736.db2.gz NFKNZTYZHMWRSZ-LDMBFOFVSA-N 3 2 209.337 0.596 20 0 BCADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1csc(N)n1 ZINC000902499230 584619841 /nfs/dbraw/zinc/61/98/41/584619841.db2.gz IMNHZIHLMKVNBQ-RNFRBKRXSA-N 2 2 214.338 0.941 20 0 BCADLP C[C@@H]1CC=CC[C@H]1[NH2+][C@H]1C[NH2+]CCOC1 ZINC000902502360 584620503 /nfs/dbraw/zinc/62/05/03/584620503.db2.gz DQUDEGDIJDQCAZ-GRYCIOLGSA-N 2 2 210.321 0.919 20 0 BCADLP Cc1ncccc1CC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000902514109 584629239 /nfs/dbraw/zinc/62/92/39/584629239.db2.gz QENMNCXUKSJMLF-CYBMUJFWSA-N 2 2 235.331 0.511 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CC(CC(N)=O)C1 ZINC000903261815 584740188 /nfs/dbraw/zinc/74/01/88/584740188.db2.gz ZAOHGOZVRLSGKE-AGVGLQIMSA-N 2 2 225.336 0.180 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CC(CC(N)=O)C1 ZINC000903261815 584740189 /nfs/dbraw/zinc/74/01/89/584740189.db2.gz ZAOHGOZVRLSGKE-AGVGLQIMSA-N 2 2 225.336 0.180 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H]1C)c1ccc(=O)[nH]n1 ZINC000903302155 584744544 /nfs/dbraw/zinc/74/45/44/584744544.db2.gz WZJXGJUUHGPMIN-QXEWZRGKSA-N 2 2 236.319 0.925 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H]1C)c1ccc(=O)[nH]n1 ZINC000903302155 584744545 /nfs/dbraw/zinc/74/45/45/584744545.db2.gz WZJXGJUUHGPMIN-QXEWZRGKSA-N 2 2 236.319 0.925 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000903344609 584752490 /nfs/dbraw/zinc/75/24/90/584752490.db2.gz QVSMYRLALKMQGD-SNVBAGLBSA-N 2 2 227.352 0.572 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000903344609 584752492 /nfs/dbraw/zinc/75/24/92/584752492.db2.gz QVSMYRLALKMQGD-SNVBAGLBSA-N 2 2 227.352 0.572 20 0 BCADLP [NH3+]CCCOC1CC[NH+](C[C@H]2CCC[NH2+]2)CC1 ZINC000903425198 584761235 /nfs/dbraw/zinc/76/12/35/584761235.db2.gz WROVLBHEWBRFOE-GFCCVEGCSA-N 3 2 241.379 0.568 20 0 BCADLP C[C@@H](c1ncccn1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000903422614 584764440 /nfs/dbraw/zinc/76/44/40/584764440.db2.gz GKJNTRBSKKEGAA-VHSXEESVSA-N 2 2 206.293 0.818 20 0 BCADLP C[C@@H](c1ncccn1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000903422614 584764442 /nfs/dbraw/zinc/76/44/42/584764442.db2.gz GKJNTRBSKKEGAA-VHSXEESVSA-N 2 2 206.293 0.818 20 0 BCADLP [NH3+][C@@H]1C[N@H+](CCOC2CC2)CC[C@H]1F ZINC000903464377 584767941 /nfs/dbraw/zinc/76/79/41/584767941.db2.gz LCDXAMKSWYBLGC-NXEZZACHSA-N 2 2 202.273 0.537 20 0 BCADLP [NH3+][C@@H]1C[N@@H+](CCOC2CC2)CC[C@H]1F ZINC000903464377 584767943 /nfs/dbraw/zinc/76/79/43/584767943.db2.gz LCDXAMKSWYBLGC-NXEZZACHSA-N 2 2 202.273 0.537 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CC[C@H]1[NH3+] ZINC000903450462 584772107 /nfs/dbraw/zinc/77/21/07/584772107.db2.gz WLIYNHYITRJXQJ-FVCCEPFGSA-N 3 2 225.380 0.901 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CC[C@H]1[NH3+] ZINC000903450462 584772109 /nfs/dbraw/zinc/77/21/09/584772109.db2.gz WLIYNHYITRJXQJ-FVCCEPFGSA-N 3 2 225.380 0.901 20 0 BCADLP COC[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)OC ZINC000903472890 584775877 /nfs/dbraw/zinc/77/58/77/584775877.db2.gz WMGQKUOETFSABV-WDEREUQCSA-N 2 2 228.336 0.522 20 0 BCADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C(N)=O ZINC000903471979 584775885 /nfs/dbraw/zinc/77/58/85/584775885.db2.gz ODHXHIQKAAGFFC-IUCAKERBSA-N 2 2 211.309 0.125 20 0 BCADLP CC(C)([NH2+]C[C@H]1CCC[NH2+]1)C(=O)N1CCCC1 ZINC000903481418 584778294 /nfs/dbraw/zinc/77/82/94/584778294.db2.gz BKHGVGHNKUIRAA-LLVKDONJSA-N 2 2 239.363 0.729 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000903482585 584778771 /nfs/dbraw/zinc/77/87/71/584778771.db2.gz LVCUGZKCTDSUPZ-VPOLOUISSA-N 3 2 211.353 0.557 20 0 BCADLP CC(C)NC(=O)[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903464712 584779642 /nfs/dbraw/zinc/77/96/42/584779642.db2.gz AMURVBFGYWDSBK-GHMZBOCLSA-N 2 2 239.363 0.774 20 0 BCADLP O=C(C[NH2+][C@H]1CC[NH2+]C12CCC2)NC1CC1 ZINC000903466170 584780074 /nfs/dbraw/zinc/78/00/74/584780074.db2.gz QQAMGMLVZGJIBC-JTQLQIEISA-N 2 2 223.320 0.139 20 0 BCADLP C[NH2+]CCC[N@@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000903490862 584781123 /nfs/dbraw/zinc/78/11/23/584781123.db2.gz KMEOWSWJNMZKIU-JTQLQIEISA-N 2 2 224.308 0.777 20 0 BCADLP C[NH2+]CCC[N@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000903490862 584781124 /nfs/dbraw/zinc/78/11/24/584781124.db2.gz KMEOWSWJNMZKIU-JTQLQIEISA-N 2 2 224.308 0.777 20 0 BCADLP C[C@@]1([C@@H]2CCC[N@H+](CC[NH3+])C2)COC(=O)N1 ZINC000903561307 584782087 /nfs/dbraw/zinc/78/20/87/584782087.db2.gz IUGWPEGYHVICIY-KOLCDFICSA-N 2 2 227.308 0.156 20 0 BCADLP C[C@@]1([C@@H]2CCC[N@@H+](CC[NH3+])C2)COC(=O)N1 ZINC000903561307 584782088 /nfs/dbraw/zinc/78/20/88/584782088.db2.gz IUGWPEGYHVICIY-KOLCDFICSA-N 2 2 227.308 0.156 20 0 BCADLP CCN(C)C(=O)CC[N@H+](CC[NH2+]C)C(C)C ZINC000903574210 584784167 /nfs/dbraw/zinc/78/41/67/584784167.db2.gz WIOYBSWZZNHIQC-UHFFFAOYSA-N 2 2 229.368 0.785 20 0 BCADLP CCN(C)C(=O)CC[N@@H+](CC[NH2+]C)C(C)C ZINC000903574210 584784168 /nfs/dbraw/zinc/78/41/68/584784168.db2.gz WIOYBSWZZNHIQC-UHFFFAOYSA-N 2 2 229.368 0.785 20 0 BCADLP C[NH2+]CC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C(C)C ZINC000903573619 584784190 /nfs/dbraw/zinc/78/41/90/584784190.db2.gz FBVFFSWWLPNDES-GFCCVEGCSA-N 3 2 241.379 0.437 20 0 BCADLP C[NH2+]CC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C(C)C ZINC000903573619 584784192 /nfs/dbraw/zinc/78/41/92/584784192.db2.gz FBVFFSWWLPNDES-GFCCVEGCSA-N 3 2 241.379 0.437 20 0 BCADLP C[NH2+]CC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C(C)C ZINC000903573620 584784236 /nfs/dbraw/zinc/78/42/36/584784236.db2.gz FBVFFSWWLPNDES-LBPRGKRZSA-N 3 2 241.379 0.437 20 0 BCADLP C[NH2+]CC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C(C)C ZINC000903573620 584784238 /nfs/dbraw/zinc/78/42/38/584784238.db2.gz FBVFFSWWLPNDES-LBPRGKRZSA-N 3 2 241.379 0.437 20 0 BCADLP CCn1cc(C[NH2+][C@](C)(C[NH3+])C(C)C)nn1 ZINC000903717365 584792556 /nfs/dbraw/zinc/79/25/56/584792556.db2.gz PCQZEOARFUBOLN-LLVKDONJSA-N 2 2 225.340 0.761 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903716217 584794116 /nfs/dbraw/zinc/79/41/16/584794116.db2.gz JRQSMPZFCKMACS-RYUDHWBXSA-N 3 2 241.379 0.424 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903716217 584794118 /nfs/dbraw/zinc/79/41/18/584794118.db2.gz JRQSMPZFCKMACS-RYUDHWBXSA-N 3 2 241.379 0.424 20 0 BCADLP C[N@H+](Cc1[nH]nc2c1COCC2)C1CC([NH3+])C1 ZINC000903749205 584794777 /nfs/dbraw/zinc/79/47/77/584794777.db2.gz IDUMRYDGOFTFDH-UHFFFAOYSA-N 2 2 236.319 0.404 20 0 BCADLP C[N@@H+](Cc1[nH]nc2c1COCC2)C1CC([NH3+])C1 ZINC000903749205 584794778 /nfs/dbraw/zinc/79/47/78/584794778.db2.gz IDUMRYDGOFTFDH-UHFFFAOYSA-N 2 2 236.319 0.404 20 0 BCADLP Cn1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)nn1 ZINC000903751668 584795447 /nfs/dbraw/zinc/79/54/47/584795447.db2.gz LMBBDINNAXZPGY-DGCLKSJQSA-N 2 2 249.362 0.779 20 0 BCADLP Cn1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)nn1 ZINC000903751668 584795449 /nfs/dbraw/zinc/79/54/49/584795449.db2.gz LMBBDINNAXZPGY-DGCLKSJQSA-N 2 2 249.362 0.779 20 0 BCADLP [NH3+]C1(C[NH2+]C[C@@H]2CCCC[NH2+]C2)CCC1 ZINC000903743456 584796621 /nfs/dbraw/zinc/79/66/21/584796621.db2.gz LKBQZEUIPKVULZ-LLVKDONJSA-N 3 2 211.353 0.847 20 0 BCADLP C[N@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)CC(C)(C)[NH3+] ZINC000903766880 584797303 /nfs/dbraw/zinc/79/73/03/584797303.db2.gz CLTDXQSJLCSQDT-DGCLKSJQSA-N 3 2 241.379 0.424 20 0 BCADLP C[N@@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)CC(C)(C)[NH3+] ZINC000903766880 584797305 /nfs/dbraw/zinc/79/73/05/584797305.db2.gz CLTDXQSJLCSQDT-DGCLKSJQSA-N 3 2 241.379 0.424 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903778647 584799943 /nfs/dbraw/zinc/79/99/43/584799943.db2.gz QJQXIFQQOKQYIH-XQHKEYJVSA-N 3 2 239.363 0.177 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903778647 584799944 /nfs/dbraw/zinc/79/99/44/584799944.db2.gz QJQXIFQQOKQYIH-XQHKEYJVSA-N 3 2 239.363 0.177 20 0 BCADLP C1=CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)[NH2+]C1 ZINC000903785234 584800289 /nfs/dbraw/zinc/80/02/89/584800289.db2.gz WVGVGHLXKIXTFC-LBPRGKRZSA-N 2 2 237.347 0.522 20 0 BCADLP COCCOCC[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903798263 584801208 /nfs/dbraw/zinc/80/12/08/584801208.db2.gz MVKYASRUPGZVSR-OLZOCXBDSA-N 2 2 242.363 0.853 20 0 BCADLP COCCOCC[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903798263 584801211 /nfs/dbraw/zinc/80/12/11/584801211.db2.gz MVKYASRUPGZVSR-OLZOCXBDSA-N 2 2 242.363 0.853 20 0 BCADLP [NH3+]CCOCC[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903799996 584801609 /nfs/dbraw/zinc/80/16/09/584801609.db2.gz FUBCXGPVODSZNC-VXGBXAGGSA-N 3 2 227.352 0.165 20 0 BCADLP [NH3+]CCOCC[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903799996 584801610 /nfs/dbraw/zinc/80/16/10/584801610.db2.gz FUBCXGPVODSZNC-VXGBXAGGSA-N 3 2 227.352 0.165 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCOC[C@H]1C[C@H]1CCOC1 ZINC000903824397 584804483 /nfs/dbraw/zinc/80/44/83/584804483.db2.gz PZCALANERMXUKO-CHWSQXEVSA-N 2 2 242.363 0.723 20 0 BCADLP C[NH2+]CCC[N@H+]1CCOC[C@H]1C[C@H]1CCOC1 ZINC000903824397 584804484 /nfs/dbraw/zinc/80/44/84/584804484.db2.gz PZCALANERMXUKO-CHWSQXEVSA-N 2 2 242.363 0.723 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000903824399 584804634 /nfs/dbraw/zinc/80/46/34/584804634.db2.gz PZCALANERMXUKO-QWHCGFSZSA-N 2 2 242.363 0.723 20 0 BCADLP C[NH2+]CCC[N@H+]1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000903824399 584804635 /nfs/dbraw/zinc/80/46/35/584804635.db2.gz PZCALANERMXUKO-QWHCGFSZSA-N 2 2 242.363 0.723 20 0 BCADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cnns1)C2 ZINC000903839292 584807069 /nfs/dbraw/zinc/80/70/69/584807069.db2.gz JSXOUBVIFNKOQX-YIZRAAEISA-N 2 2 224.333 0.850 20 0 BCADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cnns1)C2 ZINC000903839292 584807071 /nfs/dbraw/zinc/80/70/71/584807071.db2.gz JSXOUBVIFNKOQX-YIZRAAEISA-N 2 2 224.333 0.850 20 0 BCADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cnns1)C2 ZINC000903839291 584807081 /nfs/dbraw/zinc/80/70/81/584807081.db2.gz JSXOUBVIFNKOQX-CIUDSAMLSA-N 2 2 224.333 0.850 20 0 BCADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cnns1)C2 ZINC000903839291 584807083 /nfs/dbraw/zinc/80/70/83/584807083.db2.gz JSXOUBVIFNKOQX-CIUDSAMLSA-N 2 2 224.333 0.850 20 0 BCADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1nnnn1C1CC1)C2 ZINC000903846997 584807773 /nfs/dbraw/zinc/80/77/73/584807773.db2.gz RTEDUYQICAJYOD-NGZCFLSTSA-N 2 2 248.334 0.320 20 0 BCADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1nnnn1C1CC1)C2 ZINC000903846997 584807774 /nfs/dbraw/zinc/80/77/74/584807774.db2.gz RTEDUYQICAJYOD-NGZCFLSTSA-N 2 2 248.334 0.320 20 0 BCADLP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2Cc1ccno1 ZINC000903853209 584808065 /nfs/dbraw/zinc/80/80/65/584808065.db2.gz DFSPUKBAYCGMRS-ONGXEEELSA-N 2 2 207.277 0.988 20 0 BCADLP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2Cc1ccno1 ZINC000903853209 584808066 /nfs/dbraw/zinc/80/80/66/584808066.db2.gz DFSPUKBAYCGMRS-ONGXEEELSA-N 2 2 207.277 0.988 20 0 BCADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CC(=O)NC1CC1 ZINC000903850181 584808125 /nfs/dbraw/zinc/80/81/25/584808125.db2.gz LPECNRRWNSEVNM-JOYOIKCWSA-N 2 2 223.320 0.078 20 0 BCADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CC(=O)NC1CC1 ZINC000903850181 584808127 /nfs/dbraw/zinc/80/81/27/584808127.db2.gz LPECNRRWNSEVNM-JOYOIKCWSA-N 2 2 223.320 0.078 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@H]2CC[C@]21C[NH3+] ZINC000903852733 584808200 /nfs/dbraw/zinc/80/82/00/584808200.db2.gz ARTMXSKXLVLVDY-PWSUYJOCSA-N 2 2 220.320 0.733 20 0 BCADLP CN(C(=O)C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+])C1CC1 ZINC000903853532 584808353 /nfs/dbraw/zinc/80/83/53/584808353.db2.gz FQLXBRVMMTXGNE-MFKMUULPSA-N 2 2 237.347 0.420 20 0 BCADLP CN(C(=O)C[N@H+]1CC[C@H]2CC[C@]21C[NH3+])C1CC1 ZINC000903853532 584808354 /nfs/dbraw/zinc/80/83/54/584808354.db2.gz FQLXBRVMMTXGNE-MFKMUULPSA-N 2 2 237.347 0.420 20 0 BCADLP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCN1CCOC1=O ZINC000903854806 584809324 /nfs/dbraw/zinc/80/93/24/584809324.db2.gz KPJSDVQDGXQWAF-JQWIXIFHSA-N 2 2 239.319 0.252 20 0 BCADLP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCN1CCOC1=O ZINC000903854806 584809326 /nfs/dbraw/zinc/80/93/26/584809326.db2.gz KPJSDVQDGXQWAF-JQWIXIFHSA-N 2 2 239.319 0.252 20 0 BCADLP COC(=O)CCC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903857317 584810463 /nfs/dbraw/zinc/81/04/63/584810463.db2.gz DFADYPAQBHCNMJ-JQWIXIFHSA-N 2 2 226.320 0.753 20 0 BCADLP COC(=O)CCC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903857317 584810464 /nfs/dbraw/zinc/81/04/64/584810464.db2.gz DFADYPAQBHCNMJ-JQWIXIFHSA-N 2 2 226.320 0.753 20 0 BCADLP Nc1cc(C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])ccn1 ZINC000903859838 584811326 /nfs/dbraw/zinc/81/13/26/584811326.db2.gz OZKFREIELGXOKQ-DGCLKSJQSA-N 2 2 232.331 0.977 20 0 BCADLP Nc1cc(C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])ccn1 ZINC000903859838 584811327 /nfs/dbraw/zinc/81/13/27/584811327.db2.gz OZKFREIELGXOKQ-DGCLKSJQSA-N 2 2 232.331 0.977 20 0 BCADLP CCOCCOCC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903864715 584813308 /nfs/dbraw/zinc/81/33/08/584813308.db2.gz VZKZRNFIILGTTO-STQMWFEESA-N 2 2 242.363 0.853 20 0 BCADLP COCCOCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903865214 584813255 /nfs/dbraw/zinc/81/32/55/584813255.db2.gz BHDGXUBKHJVODX-LBPRGKRZSA-N 2 2 228.336 0.477 20 0 BCADLP COCCOCC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903865214 584813257 /nfs/dbraw/zinc/81/32/57/584813257.db2.gz BHDGXUBKHJVODX-LBPRGKRZSA-N 2 2 228.336 0.477 20 0 BCADLP CCOCCOCC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903864715 584813307 /nfs/dbraw/zinc/81/33/07/584813307.db2.gz VZKZRNFIILGTTO-STQMWFEESA-N 2 2 242.363 0.853 20 0 BCADLP NC(=O)C[C@H]1CCCC[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903888608 584813632 /nfs/dbraw/zinc/81/36/32/584813632.db2.gz HCXXBTRBFNHQNH-DTWKUNHWSA-N 2 2 249.305 0.699 20 0 BCADLP NC(=O)C[C@H]1CCCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903888608 584813634 /nfs/dbraw/zinc/81/36/34/584813634.db2.gz HCXXBTRBFNHQNH-DTWKUNHWSA-N 2 2 249.305 0.699 20 0 BCADLP c1nc2n(n1)[C@H](C[N@@H+]1CCC[C@]13CC[NH2+]C3)CC2 ZINC000903869122 584813672 /nfs/dbraw/zinc/81/36/72/584813672.db2.gz BOYAQDTYENWQPO-WCQYABFASA-N 2 2 247.346 0.593 20 0 BCADLP c1nc2n(n1)[C@H](C[N@H+]1CCC[C@]13CC[NH2+]C3)CC2 ZINC000903869122 584813673 /nfs/dbraw/zinc/81/36/73/584813673.db2.gz BOYAQDTYENWQPO-WCQYABFASA-N 2 2 247.346 0.593 20 0 BCADLP C[N@H+](C[C@H]([NH3+])CC(F)F)[C@@H]1CCCCNC1=O ZINC000903889417 584814072 /nfs/dbraw/zinc/81/40/72/584814072.db2.gz RTWFHPDSAQJPEO-RKDXNWHRSA-N 2 2 249.305 0.569 20 0 BCADLP C[N@@H+](C[C@H]([NH3+])CC(F)F)[C@@H]1CCCCNC1=O ZINC000903889417 584814073 /nfs/dbraw/zinc/81/40/73/584814073.db2.gz RTWFHPDSAQJPEO-RKDXNWHRSA-N 2 2 249.305 0.569 20 0 BCADLP Nc1cc(CN2CCC[C@@]23CC[NH2+]C3)cc[nH+]1 ZINC000903871798 584815103 /nfs/dbraw/zinc/81/51/03/584815103.db2.gz VSPJSNAPSDUAAN-ZDUSSCGKSA-N 2 2 232.331 0.992 20 0 BCADLP NC(=O)[C@@H]1CCC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903874064 584815970 /nfs/dbraw/zinc/81/59/70/584815970.db2.gz RMTOSFSLNRSPTL-HTQZYQBOSA-N 2 2 235.278 0.166 20 0 BCADLP NC(=O)[C@@H]1CCC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903874064 584815971 /nfs/dbraw/zinc/81/59/71/584815971.db2.gz RMTOSFSLNRSPTL-HTQZYQBOSA-N 2 2 235.278 0.166 20 0 BCADLP C[NH2+]CC1CC[NH+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903874321 584816223 /nfs/dbraw/zinc/81/62/23/584816223.db2.gz XYJKCXXCIYUQLK-JTQLQIEISA-N 3 2 235.322 0.900 20 0 BCADLP CNC(=O)CC[N@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903892826 584818734 /nfs/dbraw/zinc/81/87/34/584818734.db2.gz XLKHMYJEFMAZQG-SSDOTTSWSA-N 2 2 223.267 0.037 20 0 BCADLP CNC(=O)CC[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903892826 584818735 /nfs/dbraw/zinc/81/87/35/584818735.db2.gz XLKHMYJEFMAZQG-SSDOTTSWSA-N 2 2 223.267 0.037 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H]([NH3+])CC(F)F)CC[C@H]1O ZINC000903908329 584821728 /nfs/dbraw/zinc/82/17/28/584821728.db2.gz GXMHCSQNDXBSKO-HRDYMLBCSA-N 2 2 222.279 0.672 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H]([NH3+])CC(F)F)CC[C@H]1O ZINC000903908329 584821729 /nfs/dbraw/zinc/82/17/29/584821729.db2.gz GXMHCSQNDXBSKO-HRDYMLBCSA-N 2 2 222.279 0.672 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@H]([NH3+])CC(F)F)C[C@H]1O ZINC000903913321 584822547 /nfs/dbraw/zinc/82/25/47/584822547.db2.gz OIEKLQZOZZKQRC-IWSPIJDZSA-N 2 2 222.279 0.672 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@H]([NH3+])CC(F)F)C[C@H]1O ZINC000903913321 584822548 /nfs/dbraw/zinc/82/25/48/584822548.db2.gz OIEKLQZOZZKQRC-IWSPIJDZSA-N 2 2 222.279 0.672 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@@H]([NH3+])CC(F)F)C[C@H]1O ZINC000903913320 584822818 /nfs/dbraw/zinc/82/28/18/584822818.db2.gz OIEKLQZOZZKQRC-HRDYMLBCSA-N 2 2 222.279 0.672 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@@H]([NH3+])CC(F)F)C[C@H]1O ZINC000903913320 584822820 /nfs/dbraw/zinc/82/28/20/584822820.db2.gz OIEKLQZOZZKQRC-HRDYMLBCSA-N 2 2 222.279 0.672 20 0 BCADLP CC(C)N1CC[C@H]([NH2+]C[C@H]([NH3+])CC(F)F)C1=O ZINC000903923337 584823678 /nfs/dbraw/zinc/82/36/78/584823678.db2.gz QYROOFSAXPQFGB-BDAKNGLRSA-N 2 2 249.305 0.568 20 0 BCADLP C[C@]12COC[C@@H]1C[N@H+](C[C@@H]([NH3+])CC(F)F)C2 ZINC000903933095 584824803 /nfs/dbraw/zinc/82/48/03/584824803.db2.gz LAOGLBHMADLLIG-QXEWZRGKSA-N 2 2 234.290 0.937 20 0 BCADLP C[C@]12COC[C@@H]1C[N@@H+](C[C@@H]([NH3+])CC(F)F)C2 ZINC000903933095 584824804 /nfs/dbraw/zinc/82/48/04/584824804.db2.gz LAOGLBHMADLLIG-QXEWZRGKSA-N 2 2 234.290 0.937 20 0 BCADLP C[C@]12COC[C@H]1C[N@H+](C[C@@H]([NH3+])CC(F)F)C2 ZINC000903933096 584824813 /nfs/dbraw/zinc/82/48/13/584824813.db2.gz LAOGLBHMADLLIG-YWVKMMECSA-N 2 2 234.290 0.937 20 0 BCADLP C[C@]12COC[C@H]1C[N@@H+](C[C@@H]([NH3+])CC(F)F)C2 ZINC000903933096 584824814 /nfs/dbraw/zinc/82/48/14/584824814.db2.gz LAOGLBHMADLLIG-YWVKMMECSA-N 2 2 234.290 0.937 20 0 BCADLP C[N@H+](C[C@@H]([NH3+])CC(F)F)C[C@@H]1COCCO1 ZINC000903933040 584824907 /nfs/dbraw/zinc/82/49/07/584824907.db2.gz KEHKEIRNKFNBJV-DTWKUNHWSA-N 2 2 238.278 0.316 20 0 BCADLP C[N@@H+](C[C@@H]([NH3+])CC(F)F)C[C@@H]1COCCO1 ZINC000903933040 584824908 /nfs/dbraw/zinc/82/49/08/584824908.db2.gz KEHKEIRNKFNBJV-DTWKUNHWSA-N 2 2 238.278 0.316 20 0 BCADLP C[N@H+](C[C@H]([NH3+])CC(F)F)C[C@@H]1COCCO1 ZINC000903933043 584825033 /nfs/dbraw/zinc/82/50/33/584825033.db2.gz KEHKEIRNKFNBJV-RKDXNWHRSA-N 2 2 238.278 0.316 20 0 BCADLP C[N@@H+](C[C@H]([NH3+])CC(F)F)C[C@@H]1COCCO1 ZINC000903933043 584825035 /nfs/dbraw/zinc/82/50/35/584825035.db2.gz KEHKEIRNKFNBJV-RKDXNWHRSA-N 2 2 238.278 0.316 20 0 BCADLP CC(C)C[C@@H](C[NH3+])[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903918095 584827084 /nfs/dbraw/zinc/82/70/84/584827084.db2.gz RRUTWNVLBKVINR-IUCAKERBSA-N 3 2 223.311 0.932 20 0 BCADLP Cn1cc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)nn1 ZINC000903960098 584827546 /nfs/dbraw/zinc/82/75/46/584827546.db2.gz XAJBLNTXFGPNHC-ZDUSSCGKSA-N 2 2 249.362 0.781 20 0 BCADLP Cn1cc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)nn1 ZINC000903960098 584827547 /nfs/dbraw/zinc/82/75/47/584827547.db2.gz XAJBLNTXFGPNHC-ZDUSSCGKSA-N 2 2 249.362 0.781 20 0 BCADLP Cc1nn(C)c(C)c1C[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903960752 584828298 /nfs/dbraw/zinc/82/82/98/584828298.db2.gz XSJGLDPYDQRYPM-PRHODGIISA-N 2 2 222.336 0.734 20 0 BCADLP Cn1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)n1 ZINC000903954520 584831855 /nfs/dbraw/zinc/83/18/55/584831855.db2.gz DGFBJGGSLJLOLZ-VIFPVBQESA-N 2 2 244.289 0.755 20 0 BCADLP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]C[C@]12C[C@H]1C[NH2+]C2 ZINC000903956212 584831957 /nfs/dbraw/zinc/83/19/57/584831957.db2.gz IZBUMOFALWVGHM-HBNTYKKESA-N 3 2 245.317 0.430 20 0 BCADLP CC[C@H]1C(=O)NCC[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000904315918 584860350 /nfs/dbraw/zinc/86/03/50/584860350.db2.gz INVWAVLKCZPWOU-WCQYABFASA-N 2 2 239.363 0.587 20 0 BCADLP CC[C@H]1C(=O)NCC[N@@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000904315918 584860352 /nfs/dbraw/zinc/86/03/52/584860352.db2.gz INVWAVLKCZPWOU-WCQYABFASA-N 2 2 239.363 0.587 20 0 BCADLP C[C@@]1(C[N@@H+]2CC[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904300017 584860425 /nfs/dbraw/zinc/86/04/25/584860425.db2.gz UKBJMZBEXMAEJW-NWDGAFQWSA-N 3 2 211.353 0.657 20 0 BCADLP C[C@@]1(C[N@H+]2CC[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904300017 584860427 /nfs/dbraw/zinc/86/04/27/584860427.db2.gz UKBJMZBEXMAEJW-NWDGAFQWSA-N 3 2 211.353 0.657 20 0 BCADLP C[C@]1(C[N@@H+]2CC[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904300016 584860522 /nfs/dbraw/zinc/86/05/22/584860522.db2.gz UKBJMZBEXMAEJW-NEPJUHHUSA-N 3 2 211.353 0.657 20 0 BCADLP C[C@]1(C[N@H+]2CC[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904300016 584860523 /nfs/dbraw/zinc/86/05/23/584860523.db2.gz UKBJMZBEXMAEJW-NEPJUHHUSA-N 3 2 211.353 0.657 20 0 BCADLP CCNC(=O)C[N@H+](CC)C[C@]1(C)CCC[NH2+]C1 ZINC000904304004 584862109 /nfs/dbraw/zinc/86/21/09/584862109.db2.gz ORTOTJSLQPVWKK-CYBMUJFWSA-N 2 2 241.379 0.834 20 0 BCADLP CCNC(=O)C[N@@H+](CC)C[C@]1(C)CCC[NH2+]C1 ZINC000904304004 584862110 /nfs/dbraw/zinc/86/21/10/584862110.db2.gz ORTOTJSLQPVWKK-CYBMUJFWSA-N 2 2 241.379 0.834 20 0 BCADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(N)nn2)CC[N@@H+]1C ZINC000904322883 584864513 /nfs/dbraw/zinc/86/45/13/584864513.db2.gz JMURPEBGKBGLOD-ZYHUDNBSSA-N 2 2 249.362 0.973 20 0 BCADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(N)nn2)CC[N@H+]1C ZINC000904322883 584864514 /nfs/dbraw/zinc/86/45/14/584864514.db2.gz JMURPEBGKBGLOD-ZYHUDNBSSA-N 2 2 249.362 0.973 20 0 BCADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N)nn2)CC[NH+]1C ZINC000904322883 584864515 /nfs/dbraw/zinc/86/45/15/584864515.db2.gz JMURPEBGKBGLOD-ZYHUDNBSSA-N 2 2 249.362 0.973 20 0 BCADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N)nn2)CC[NH+]1C ZINC000904322883 584864516 /nfs/dbraw/zinc/86/45/16/584864516.db2.gz JMURPEBGKBGLOD-ZYHUDNBSSA-N 2 2 249.362 0.973 20 0 BCADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(N)nn2)CC[N@@H+]1C ZINC000904322881 584864575 /nfs/dbraw/zinc/86/45/75/584864575.db2.gz JMURPEBGKBGLOD-JQWIXIFHSA-N 2 2 249.362 0.973 20 0 BCADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(N)nn2)CC[N@H+]1C ZINC000904322881 584864576 /nfs/dbraw/zinc/86/45/76/584864576.db2.gz JMURPEBGKBGLOD-JQWIXIFHSA-N 2 2 249.362 0.973 20 0 BCADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N)nn2)CC[NH+]1C ZINC000904322881 584864577 /nfs/dbraw/zinc/86/45/77/584864577.db2.gz JMURPEBGKBGLOD-JQWIXIFHSA-N 2 2 249.362 0.973 20 0 BCADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N)nn2)CC[NH+]1C ZINC000904322881 584864578 /nfs/dbraw/zinc/86/45/78/584864578.db2.gz JMURPEBGKBGLOD-JQWIXIFHSA-N 2 2 249.362 0.973 20 0 BCADLP [NH3+]Cc1ccc(C[N@@H+]2CCO[C@@H](C[NH3+])C2)cc1 ZINC000904332524 584866141 /nfs/dbraw/zinc/86/61/41/584866141.db2.gz QSQFDSIAQGSVFH-ZDUSSCGKSA-N 3 2 235.331 0.305 20 0 BCADLP [NH3+]Cc1ccc(C[N@H+]2CCO[C@@H](C[NH3+])C2)cc1 ZINC000904332524 584866142 /nfs/dbraw/zinc/86/61/42/584866142.db2.gz QSQFDSIAQGSVFH-ZDUSSCGKSA-N 3 2 235.331 0.305 20 0 BCADLP [NH3+]Cc1ccc(C[N@@H+]2CCO[C@H](C[NH3+])C2)cc1 ZINC000904332523 584866217 /nfs/dbraw/zinc/86/62/17/584866217.db2.gz QSQFDSIAQGSVFH-CYBMUJFWSA-N 3 2 235.331 0.305 20 0 BCADLP [NH3+]Cc1ccc(C[N@H+]2CCO[C@H](C[NH3+])C2)cc1 ZINC000904332523 584866218 /nfs/dbraw/zinc/86/62/18/584866218.db2.gz QSQFDSIAQGSVFH-CYBMUJFWSA-N 3 2 235.331 0.305 20 0 BCADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(N)nn1 ZINC000904351281 584869573 /nfs/dbraw/zinc/86/95/73/584869573.db2.gz WTANJVKPTWJLDP-SECBINFHSA-N 2 2 223.324 0.666 20 0 BCADLP COCC[NH2+]CC[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904353422 584869953 /nfs/dbraw/zinc/86/99/53/584869953.db2.gz MHTMJXWWBNMQSX-UHFFFAOYSA-N 3 2 237.347 0.471 20 0 BCADLP C[NH2+]CCC[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904372532 584873697 /nfs/dbraw/zinc/87/36/97/584873697.db2.gz DUWVYLOUHMCVQS-LBPRGKRZSA-N 3 2 213.369 0.917 20 0 BCADLP C[NH2+]CCC[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904372532 584873698 /nfs/dbraw/zinc/87/36/98/584873698.db2.gz DUWVYLOUHMCVQS-LBPRGKRZSA-N 3 2 213.369 0.917 20 0 BCADLP C[C@]1(C[NH2+]CCn2cc[nH+]c2)CCC[NH2+]C1 ZINC000904365296 584874944 /nfs/dbraw/zinc/87/49/44/584874944.db2.gz YNPGQLXNWTYTCS-LBPRGKRZSA-N 3 2 222.336 0.862 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@]1(C)CCC[NH2+]C1)C2 ZINC000904384668 584877477 /nfs/dbraw/zinc/87/74/77/584877477.db2.gz LKFZNLZRGINIKE-MELADBBJSA-N 3 2 237.391 0.917 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@]1(C)CCC[NH2+]C1)C2 ZINC000904384668 584877478 /nfs/dbraw/zinc/87/74/78/584877478.db2.gz LKFZNLZRGINIKE-MELADBBJSA-N 3 2 237.391 0.917 20 0 BCADLP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000904388135 584877897 /nfs/dbraw/zinc/87/78/97/584877897.db2.gz DPNSGJXFBUZWDD-BZNPZCIMSA-N 3 2 237.269 0.545 20 0 BCADLP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000904388135 584877898 /nfs/dbraw/zinc/87/78/98/584877898.db2.gz DPNSGJXFBUZWDD-BZNPZCIMSA-N 3 2 237.269 0.545 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(N)nn3)CC[C@H]21 ZINC000904385210 584877970 /nfs/dbraw/zinc/87/79/70/584877970.db2.gz VFQFTPCXJLGGHF-ZYHUDNBSSA-N 2 2 247.346 0.585 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(N)nn3)CC[C@H]21 ZINC000904385210 584877971 /nfs/dbraw/zinc/87/79/71/584877971.db2.gz VFQFTPCXJLGGHF-ZYHUDNBSSA-N 2 2 247.346 0.585 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(N)nn3)CC[C@H]21 ZINC000904385210 584877972 /nfs/dbraw/zinc/87/79/72/584877972.db2.gz VFQFTPCXJLGGHF-ZYHUDNBSSA-N 2 2 247.346 0.585 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(N)nn3)CC[C@H]21 ZINC000904385210 584877973 /nfs/dbraw/zinc/87/79/73/584877973.db2.gz VFQFTPCXJLGGHF-ZYHUDNBSSA-N 2 2 247.346 0.585 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000904397516 584880626 /nfs/dbraw/zinc/88/06/26/584880626.db2.gz DEXAIHHUUVNPGS-LLVKDONJSA-N 2 2 248.330 0.931 20 0 BCADLP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000877105483 584890059 /nfs/dbraw/zinc/89/00/59/584890059.db2.gz LAZDMMBTZRFWOL-NXEZZACHSA-N 2 2 236.319 0.251 20 0 BCADLP C[C@H]([NH3+])CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000877105484 584890062 /nfs/dbraw/zinc/89/00/62/584890062.db2.gz LAZDMMBTZRFWOL-UWVGGRQHSA-N 2 2 236.319 0.251 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)CC[NH+]1CCOCC1 ZINC000730565902 584912849 /nfs/dbraw/zinc/91/28/49/584912849.db2.gz JDDVZLBSIYDMKF-UHFFFAOYSA-N 2 2 249.314 0.473 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CCC(=O)O1 ZINC000821395984 585016239 /nfs/dbraw/zinc/01/62/39/585016239.db2.gz DJCQBLOZYZXXMR-LLVKDONJSA-N 2 2 237.303 0.911 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CCC(=O)O1 ZINC000821395984 585016240 /nfs/dbraw/zinc/01/62/40/585016240.db2.gz DJCQBLOZYZXXMR-LLVKDONJSA-N 2 2 237.303 0.911 20 0 BCADLP Cn1c[nH+]c(CNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000890104762 585023451 /nfs/dbraw/zinc/02/34/51/585023451.db2.gz PVZAJEGSGYPUCB-JTQLQIEISA-N 2 2 236.319 0.378 20 0 BCADLP Cn1c[nH+]c(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000890104762 585023452 /nfs/dbraw/zinc/02/34/52/585023452.db2.gz PVZAJEGSGYPUCB-JTQLQIEISA-N 2 2 236.319 0.378 20 0 BCADLP Cn1c[nH+]c(CNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC000890104765 585023540 /nfs/dbraw/zinc/02/35/40/585023540.db2.gz PVZAJEGSGYPUCB-SNVBAGLBSA-N 2 2 236.319 0.378 20 0 BCADLP Cn1c[nH+]c(CNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC000890104765 585023541 /nfs/dbraw/zinc/02/35/41/585023541.db2.gz PVZAJEGSGYPUCB-SNVBAGLBSA-N 2 2 236.319 0.378 20 0 BCADLP CNC(=O)C1([NH2+]Cc2c[nH+]cn2C)CCCC1 ZINC000751479407 585231491 /nfs/dbraw/zinc/23/14/91/585231491.db2.gz ORABCBUVHVGCHU-UHFFFAOYSA-N 2 2 236.319 0.569 20 0 BCADLP FCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000759345913 585370165 /nfs/dbraw/zinc/37/01/65/585370165.db2.gz UMOVYIMGYMOFGV-NSHDSACASA-N 2 2 216.300 0.610 20 0 BCADLP Cc1[nH+]ccn1CCN1CC[N@H+](C)[C@@H](C)C1 ZINC000766248373 585499336 /nfs/dbraw/zinc/49/93/36/585499336.db2.gz NVWOGMWXYZYTGJ-NSHDSACASA-N 2 2 222.336 0.827 20 0 BCADLP Cc1[nH+]ccn1CCN1CC[N@@H+](C)[C@@H](C)C1 ZINC000766248373 585499337 /nfs/dbraw/zinc/49/93/37/585499337.db2.gz NVWOGMWXYZYTGJ-NSHDSACASA-N 2 2 222.336 0.827 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000769414768 585556021 /nfs/dbraw/zinc/55/60/21/585556021.db2.gz JTISEBVCIZGLEE-QWHCGFSZSA-N 2 2 244.379 0.705 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000769414768 585556022 /nfs/dbraw/zinc/55/60/22/585556022.db2.gz JTISEBVCIZGLEE-QWHCGFSZSA-N 2 2 244.379 0.705 20 0 BCADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1CCN(C=O)CC1 ZINC000774207016 585653902 /nfs/dbraw/zinc/65/39/02/585653902.db2.gz DUKAUQJXAFCDEJ-GFCCVEGCSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1CCN(C=O)CC1 ZINC000774207016 585653903 /nfs/dbraw/zinc/65/39/03/585653903.db2.gz DUKAUQJXAFCDEJ-GFCCVEGCSA-N 2 2 239.363 0.681 20 0 BCADLP C[N@@H+]1CCC[C@H]2C[NH+](Cn3cnnc3)CC[C@@H]21 ZINC000776764450 585703882 /nfs/dbraw/zinc/70/38/82/585703882.db2.gz OYMSCGBJWLKABW-RYUDHWBXSA-N 2 2 235.335 0.652 20 0 BCADLP C[N@H+]1CCC[C@H]2C[NH+](Cn3cnnc3)CC[C@@H]21 ZINC000776764450 585703883 /nfs/dbraw/zinc/70/38/83/585703883.db2.gz OYMSCGBJWLKABW-RYUDHWBXSA-N 2 2 235.335 0.652 20 0 BCADLP C[NH+]1CCC[C@H]2C[N@H+](Cn3cnnc3)CC[C@@H]21 ZINC000776764450 585703884 /nfs/dbraw/zinc/70/38/84/585703884.db2.gz OYMSCGBJWLKABW-RYUDHWBXSA-N 2 2 235.335 0.652 20 0 BCADLP C[NH+]1CCC[C@H]2C[N@@H+](Cn3cnnc3)CC[C@@H]21 ZINC000776764450 585703885 /nfs/dbraw/zinc/70/38/85/585703885.db2.gz OYMSCGBJWLKABW-RYUDHWBXSA-N 2 2 235.335 0.652 20 0 BCADLP c1nncn1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000776760159 585704827 /nfs/dbraw/zinc/70/48/27/585704827.db2.gz LXUFQZYMECAZDI-LBPRGKRZSA-N 2 2 235.335 0.653 20 0 BCADLP c1nncn1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000776760159 585704828 /nfs/dbraw/zinc/70/48/28/585704828.db2.gz LXUFQZYMECAZDI-LBPRGKRZSA-N 2 2 235.335 0.653 20 0 BCADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3cnnc3)CC[C@@H]21 ZINC000776764445 585705084 /nfs/dbraw/zinc/70/50/84/585705084.db2.gz OYMSCGBJWLKABW-NEPJUHHUSA-N 2 2 235.335 0.652 20 0 BCADLP C[N@H+]1CCC[C@@H]2C[NH+](Cn3cnnc3)CC[C@@H]21 ZINC000776764445 585705085 /nfs/dbraw/zinc/70/50/85/585705085.db2.gz OYMSCGBJWLKABW-NEPJUHHUSA-N 2 2 235.335 0.652 20 0 BCADLP C[NH+]1CCC[C@@H]2C[N@H+](Cn3cnnc3)CC[C@@H]21 ZINC000776764445 585705086 /nfs/dbraw/zinc/70/50/86/585705086.db2.gz OYMSCGBJWLKABW-NEPJUHHUSA-N 2 2 235.335 0.652 20 0 BCADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3cnnc3)CC[C@@H]21 ZINC000776764445 585705087 /nfs/dbraw/zinc/70/50/87/585705087.db2.gz OYMSCGBJWLKABW-NEPJUHHUSA-N 2 2 235.335 0.652 20 0 BCADLP c1[nH]cc(C2CC[NH+](CC3OCCO3)CC2)[nH+]1 ZINC000777618305 585717291 /nfs/dbraw/zinc/71/72/91/585717291.db2.gz YONKXOHYQSYOLZ-UHFFFAOYSA-N 2 2 237.303 0.962 20 0 BCADLP COCCC[N@H+](C)CC[NH2+][C@@H](C)CCO ZINC000779347711 585752361 /nfs/dbraw/zinc/75/23/61/585752361.db2.gz MWICERYCWGJDTM-NSHDSACASA-N 2 2 218.341 0.315 20 0 BCADLP COCCC[N@@H+](C)CC[NH2+][C@@H](C)CCO ZINC000779347711 585752362 /nfs/dbraw/zinc/75/23/62/585752362.db2.gz MWICERYCWGJDTM-NSHDSACASA-N 2 2 218.341 0.315 20 0 BCADLP C[C@H]1CN(C)C(=O)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000782586435 585821151 /nfs/dbraw/zinc/82/11/51/585821151.db2.gz NFBCJNFNKDFSNX-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP C[C@H]1CN(C)C(=O)C[N@H+]1CCCn1cc[nH+]c1 ZINC000782586435 585821152 /nfs/dbraw/zinc/82/11/52/585821152.db2.gz NFBCJNFNKDFSNX-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782592913 585821330 /nfs/dbraw/zinc/82/13/30/585821330.db2.gz AXSVVZZGSQQPDB-JTQLQIEISA-N 2 2 236.319 0.354 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782592913 585821331 /nfs/dbraw/zinc/82/13/31/585821331.db2.gz AXSVVZZGSQQPDB-JTQLQIEISA-N 2 2 236.319 0.354 20 0 BCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+](C)C2CC2)C1 ZINC000783977002 585846438 /nfs/dbraw/zinc/84/64/38/585846438.db2.gz YUWNXEHITDMHSN-SNVBAGLBSA-N 2 2 248.330 0.788 20 0 BCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+](C)C2CC2)C1 ZINC000783977002 585846439 /nfs/dbraw/zinc/84/64/39/585846439.db2.gz YUWNXEHITDMHSN-SNVBAGLBSA-N 2 2 248.330 0.788 20 0 BCADLP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000794577403 586045144 /nfs/dbraw/zinc/04/51/44/586045144.db2.gz QLGBIMAKBFAILN-VXGBXAGGSA-N 2 2 239.363 0.587 20 0 BCADLP COC(CC[N@@H+]1CCc2[nH+]c[nH]c2C1)OC ZINC000859305718 589029424 /nfs/dbraw/zinc/02/94/24/589029424.db2.gz MIPZVJHPYWHUJG-UHFFFAOYSA-N 2 2 225.292 0.777 20 0 BCADLP COC(CC[N@H+]1CCc2[nH+]c[nH]c2C1)OC ZINC000859305718 589029425 /nfs/dbraw/zinc/02/94/25/589029425.db2.gz MIPZVJHPYWHUJG-UHFFFAOYSA-N 2 2 225.292 0.777 20 0 BCADLP CON(C)C(=O)CC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000859306317 589029746 /nfs/dbraw/zinc/02/97/46/589029746.db2.gz UWDHDORWJIEXQO-UHFFFAOYSA-N 2 2 238.291 0.178 20 0 BCADLP CON(C)C(=O)CC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000859306317 589029748 /nfs/dbraw/zinc/02/97/48/589029748.db2.gz UWDHDORWJIEXQO-UHFFFAOYSA-N 2 2 238.291 0.178 20 0 BCADLP C[N@H+](CCC[NH+]1CCCC1)CC1OCCO1 ZINC000799174442 586165107 /nfs/dbraw/zinc/16/51/07/586165107.db2.gz HGLQMDPMUKHKBG-UHFFFAOYSA-N 2 2 228.336 0.777 20 0 BCADLP C[N@@H+](CCC[NH+]1CCCC1)CC1OCCO1 ZINC000799174442 586165109 /nfs/dbraw/zinc/16/51/09/586165109.db2.gz HGLQMDPMUKHKBG-UHFFFAOYSA-N 2 2 228.336 0.777 20 0 BCADLP CNC(=O)c1cccc(C[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000843126077 586412671 /nfs/dbraw/zinc/41/26/71/586412671.db2.gz NGVHKGWOISNUSU-ZDUSSCGKSA-N 2 2 247.342 0.888 20 0 BCADLP CC(C)([NH3+])C[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000843126840 586413459 /nfs/dbraw/zinc/41/34/59/586413459.db2.gz WZQYIPBQKWCXNJ-UHFFFAOYSA-N 2 2 236.381 0.527 20 0 BCADLP Cn1ncc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)n1 ZINC000816612377 586744692 /nfs/dbraw/zinc/74/46/92/586744692.db2.gz NGUZUGIECHZZGM-YPMHNXCESA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)n1 ZINC000816612377 586744694 /nfs/dbraw/zinc/74/46/94/586744694.db2.gz NGUZUGIECHZZGM-YPMHNXCESA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)n1 ZINC000816612377 586744696 /nfs/dbraw/zinc/74/46/96/586744696.db2.gz NGUZUGIECHZZGM-YPMHNXCESA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)n1 ZINC000816612377 586744698 /nfs/dbraw/zinc/74/46/98/586744698.db2.gz NGUZUGIECHZZGM-YPMHNXCESA-N 2 2 249.362 0.731 20 0 BCADLP C[C@H](CC[NH+](C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000816938926 586773132 /nfs/dbraw/zinc/77/31/32/586773132.db2.gz OIBDHOCQTDZHPI-SECBINFHSA-N 2 2 224.308 0.409 20 0 BCADLP CC[C@@H]([NH2+]CC(=O)N(CC)CC)[C@@H]1CCC[NH2+]1 ZINC000817892885 586832773 /nfs/dbraw/zinc/83/27/73/586832773.db2.gz WKTWXYJJOZHZSG-NEPJUHHUSA-N 2 2 241.379 0.975 20 0 BCADLP C[N@@H+]1CC[C@H](N[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000817890679 586832940 /nfs/dbraw/zinc/83/29/40/586832940.db2.gz WZCZSSFKHPNRLA-XQQFMLRXSA-N 2 2 239.363 0.047 20 0 BCADLP C[N@H+]1CC[C@H](N[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000817890679 586832941 /nfs/dbraw/zinc/83/29/41/586832941.db2.gz WZCZSSFKHPNRLA-XQQFMLRXSA-N 2 2 239.363 0.047 20 0 BCADLP CN1CC[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000817890679 586832943 /nfs/dbraw/zinc/83/29/43/586832943.db2.gz WZCZSSFKHPNRLA-XQQFMLRXSA-N 2 2 239.363 0.047 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(C)OCCO1 ZINC000817917239 586840599 /nfs/dbraw/zinc/84/05/99/586840599.db2.gz OQLIFTMCFSBKCU-VHSXEESVSA-N 2 2 214.309 0.337 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(C)OCCO1 ZINC000817917237 586840658 /nfs/dbraw/zinc/84/06/58/586840658.db2.gz OQLIFTMCFSBKCU-UWVGGRQHSA-N 2 2 214.309 0.337 20 0 BCADLP Cc1c[nH+]cn1CC(=O)OCCn1cc[nH+]c1 ZINC000859947629 589072733 /nfs/dbraw/zinc/07/27/33/589072733.db2.gz AEQKOTKHVUBNHQ-UHFFFAOYSA-N 2 2 234.259 0.631 20 0 BCADLP CCn1nc(C)c(C[NH2+][C@H]2CCC[C@H]2C[NH3+])n1 ZINC000818614441 586906639 /nfs/dbraw/zinc/90/66/39/586906639.db2.gz ATWKPCSQBAKQMT-QWRGUYRKSA-N 2 2 237.351 0.823 20 0 BCADLP CON(C)C(=O)CC[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000818959470 586917902 /nfs/dbraw/zinc/91/79/02/586917902.db2.gz LASFBAXDZQREHG-JTQLQIEISA-N 2 2 240.307 0.271 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)C1CC1 ZINC000818959767 586917905 /nfs/dbraw/zinc/91/79/05/586917905.db2.gz SPQPBDRCTHMJBA-KOLCDFICSA-N 2 2 209.293 0.632 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)C1CC1 ZINC000818959768 586918524 /nfs/dbraw/zinc/91/85/24/586918524.db2.gz SPQPBDRCTHMJBA-MWLCHTKSSA-N 2 2 209.293 0.632 20 0 BCADLP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)C2CC2)C1 ZINC000819024067 586924957 /nfs/dbraw/zinc/92/49/57/586924957.db2.gz ZXRATMVZVHMXAN-NWDGAFQWSA-N 2 2 212.337 0.831 20 0 BCADLP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)C2CC2)C1 ZINC000819024067 586924960 /nfs/dbraw/zinc/92/49/60/586924960.db2.gz ZXRATMVZVHMXAN-NWDGAFQWSA-N 2 2 212.337 0.831 20 0 BCADLP O[C@@H](C[NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000819039947 586927039 /nfs/dbraw/zinc/92/70/39/586927039.db2.gz VJZGYFFUIPACCU-STQMWFEESA-N 2 2 224.348 0.831 20 0 BCADLP O[C@@H](C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000819039947 586927040 /nfs/dbraw/zinc/92/70/40/586927040.db2.gz VJZGYFFUIPACCU-STQMWFEESA-N 2 2 224.348 0.831 20 0 BCADLP Cn1c[nH+]c(CC[NH2+]C[C@H](O)C2CC2)c1 ZINC000819359281 586957105 /nfs/dbraw/zinc/95/71/05/586957105.db2.gz DLTYTRXZUPGUHZ-NSHDSACASA-N 2 2 209.293 0.323 20 0 BCADLP CC(C)[N@H+](C)CC(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819767365 586991608 /nfs/dbraw/zinc/99/16/08/586991608.db2.gz SOTDMBBOTODGDC-QMMMGPOBSA-N 2 2 229.349 0.934 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819767365 586991613 /nfs/dbraw/zinc/99/16/13/586991613.db2.gz SOTDMBBOTODGDC-QMMMGPOBSA-N 2 2 229.349 0.934 20 0 BCADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cnnn1C ZINC000820805802 587073122 /nfs/dbraw/zinc/07/31/22/587073122.db2.gz RVNNMQOOCQZMCU-VIFPVBQESA-N 2 2 223.324 0.560 20 0 BCADLP C[NH+](C)CCONC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000820997048 587087019 /nfs/dbraw/zinc/08/70/19/587087019.db2.gz PFBBLSFFEUGSEP-UHFFFAOYSA-N 2 2 248.286 0.786 20 0 BCADLP Cn1c[nH+]cc1CCNC(=O)C[NH+]1CCCC1 ZINC000821833882 587142037 /nfs/dbraw/zinc/14/20/37/587142037.db2.gz XURNROUAJDBNGW-UHFFFAOYSA-N 2 2 236.319 0.175 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000822154223 587156868 /nfs/dbraw/zinc/15/68/68/587156868.db2.gz BUXACCORPJVYBK-WDEREUQCSA-N 2 2 248.330 0.695 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000822154223 587156869 /nfs/dbraw/zinc/15/68/69/587156869.db2.gz BUXACCORPJVYBK-WDEREUQCSA-N 2 2 248.330 0.695 20 0 BCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000823237296 587210420 /nfs/dbraw/zinc/21/04/20/587210420.db2.gz RBPNEVXMYAUXDY-MNOVXSKESA-N 2 2 248.330 0.786 20 0 BCADLP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000823237296 587210421 /nfs/dbraw/zinc/21/04/21/587210421.db2.gz RBPNEVXMYAUXDY-MNOVXSKESA-N 2 2 248.330 0.786 20 0 BCADLP C[NH+](C)CC1(C(=O)N[C@@H]2CCn3cc[nH+]c32)CC1 ZINC000823236894 587210547 /nfs/dbraw/zinc/21/05/47/587210547.db2.gz HZRFZVRCURKBPX-SNVBAGLBSA-N 2 2 248.330 0.786 20 0 BCADLP C[NH+](C)CCONC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000823254960 587211582 /nfs/dbraw/zinc/21/15/82/587211582.db2.gz IVMHAOQEZKHXFW-RKDXNWHRSA-N 2 2 238.291 0.123 20 0 BCADLP C[NH+](C)CCONC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000823254960 587211584 /nfs/dbraw/zinc/21/15/84/587211584.db2.gz IVMHAOQEZKHXFW-RKDXNWHRSA-N 2 2 238.291 0.123 20 0 BCADLP C[NH+](C)CC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000826724526 587360269 /nfs/dbraw/zinc/36/02/69/587360269.db2.gz LSYLKEQKPSKCPJ-ZDUSSCGKSA-N 2 2 247.342 0.851 20 0 BCADLP C[NH+](C)CC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000826724526 587360270 /nfs/dbraw/zinc/36/02/70/587360270.db2.gz LSYLKEQKPSKCPJ-ZDUSSCGKSA-N 2 2 247.342 0.851 20 0 BCADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1C[NH+]2CCC1CC2 ZINC000827264893 587374596 /nfs/dbraw/zinc/37/45/96/587374596.db2.gz DCNUNEHHTMASTF-LLVKDONJSA-N 2 2 248.330 0.505 20 0 BCADLP [NH3+]CCC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000827464146 587382158 /nfs/dbraw/zinc/38/21/58/587382158.db2.gz VAYRGHVECSCSDB-UHFFFAOYSA-N 2 2 245.286 0.232 20 0 BCADLP CC[NH+](CC)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000827545247 587387336 /nfs/dbraw/zinc/38/73/36/587387336.db2.gz XVLHNHFGDHWKKV-JTQLQIEISA-N 2 2 238.335 0.799 20 0 BCADLP C[N@H+](CC[S@](C)=O)C[C@@H]1CCC[NH+](C)C1 ZINC000827878462 587407294 /nfs/dbraw/zinc/40/72/94/587407294.db2.gz WUXYTDZKRBGIKC-ABAIWWIYSA-N 2 2 232.393 0.639 20 0 BCADLP C[N@@H+](CC[S@](C)=O)C[C@@H]1CCC[NH+](C)C1 ZINC000827878462 587407296 /nfs/dbraw/zinc/40/72/96/587407296.db2.gz WUXYTDZKRBGIKC-ABAIWWIYSA-N 2 2 232.393 0.639 20 0 BCADLP C[NH+](CC[S@](C)=O)C[C@@H]1CCC[N@H+](C)C1 ZINC000827878462 587407297 /nfs/dbraw/zinc/40/72/97/587407297.db2.gz WUXYTDZKRBGIKC-ABAIWWIYSA-N 2 2 232.393 0.639 20 0 BCADLP C[NH+](CC[S@](C)=O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000827878462 587407299 /nfs/dbraw/zinc/40/72/99/587407299.db2.gz WUXYTDZKRBGIKC-ABAIWWIYSA-N 2 2 232.393 0.639 20 0 BCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)Cn1cc[nH+]c1 ZINC000828402816 587440263 /nfs/dbraw/zinc/44/02/63/587440263.db2.gz GDNOOYGOZLPWDI-SNVBAGLBSA-N 2 2 247.302 0.601 20 0 BCADLP C[N@@H+]1CC[C@]2(CC[NH+](CC[S@](C)=O)C2)C1 ZINC000828571202 587451349 /nfs/dbraw/zinc/45/13/49/587451349.db2.gz NKEORHCIYXPVOG-NHYWBVRUSA-N 2 2 230.377 0.393 20 0 BCADLP C[N@H+]1CC[C@]2(CC[NH+](CC[S@](C)=O)C2)C1 ZINC000828571202 587451351 /nfs/dbraw/zinc/45/13/51/587451351.db2.gz NKEORHCIYXPVOG-NHYWBVRUSA-N 2 2 230.377 0.393 20 0 BCADLP C[NH+]1CC[C@]2(CC[N@H+](CC[S@](C)=O)C2)C1 ZINC000828571202 587451353 /nfs/dbraw/zinc/45/13/53/587451353.db2.gz NKEORHCIYXPVOG-NHYWBVRUSA-N 2 2 230.377 0.393 20 0 BCADLP C[NH+]1CC[C@]2(CC[N@@H+](CC[S@](C)=O)C2)C1 ZINC000828571202 587451355 /nfs/dbraw/zinc/45/13/55/587451355.db2.gz NKEORHCIYXPVOG-NHYWBVRUSA-N 2 2 230.377 0.393 20 0 BCADLP C[NH+]1CCC2(CC1)C[N@H+](CCF)CCO2 ZINC000830647895 587562489 /nfs/dbraw/zinc/56/24/89/587562489.db2.gz QOTLPQXXFIHOFK-UHFFFAOYSA-N 2 2 216.300 0.753 20 0 BCADLP C[NH+]1CCC2(CC1)C[N@@H+](CCF)CCO2 ZINC000830647895 587562490 /nfs/dbraw/zinc/56/24/90/587562490.db2.gz QOTLPQXXFIHOFK-UHFFFAOYSA-N 2 2 216.300 0.753 20 0 BCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000831555211 587618970 /nfs/dbraw/zinc/61/89/70/587618970.db2.gz KDZAQNBFHOUFLT-UWVGGRQHSA-N 2 2 236.319 0.503 20 0 BCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000831555211 587618971 /nfs/dbraw/zinc/61/89/71/587618971.db2.gz KDZAQNBFHOUFLT-UWVGGRQHSA-N 2 2 236.319 0.503 20 0 BCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C[N@@H+]1C ZINC000831555213 587619111 /nfs/dbraw/zinc/61/91/11/587619111.db2.gz KDZAQNBFHOUFLT-ZJUUUORDSA-N 2 2 236.319 0.503 20 0 BCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C[N@H+]1C ZINC000831555213 587619113 /nfs/dbraw/zinc/61/91/13/587619113.db2.gz KDZAQNBFHOUFLT-ZJUUUORDSA-N 2 2 236.319 0.503 20 0 BCADLP [NH3+]CCCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000832139559 587646308 /nfs/dbraw/zinc/64/63/08/587646308.db2.gz AHKRBHUFNZFKOP-VIFPVBQESA-N 2 2 222.292 0.812 20 0 BCADLP C[C@H](CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000834299740 587750847 /nfs/dbraw/zinc/75/08/47/587750847.db2.gz ZAOYZWQSYTYCLX-PWSUYJOCSA-N 2 2 239.363 0.524 20 0 BCADLP C[C@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000834299740 587750848 /nfs/dbraw/zinc/75/08/48/587750848.db2.gz ZAOYZWQSYTYCLX-PWSUYJOCSA-N 2 2 239.363 0.524 20 0 BCADLP Cc1ccc(NC(=O)NC2C[NH2+]C2)c(N(C)C)[nH+]1 ZINC000841154151 587947922 /nfs/dbraw/zinc/94/79/22/587947922.db2.gz AYNQVUNVVYUZBY-UHFFFAOYSA-N 2 2 249.318 0.549 20 0 BCADLP Cc1ccc(Cc2noc(COCC[NH3+])n2)c[nH+]1 ZINC000843182767 588090410 /nfs/dbraw/zinc/09/04/10/588090410.db2.gz GFWRIBWHTLFWKV-UHFFFAOYSA-N 2 2 248.286 0.839 20 0 BCADLP C[N@H+](CCC[NH3+])CC(=O)Nc1ccc(O)cc1 ZINC000843351247 588102363 /nfs/dbraw/zinc/10/23/63/588102363.db2.gz MZOBWALBBRUNRF-UHFFFAOYSA-N 2 2 237.303 0.611 20 0 BCADLP C[N@@H+](CCC[NH3+])CC(=O)Nc1ccc(O)cc1 ZINC000843351247 588102365 /nfs/dbraw/zinc/10/23/65/588102365.db2.gz MZOBWALBBRUNRF-UHFFFAOYSA-N 2 2 237.303 0.611 20 0 BCADLP CCCCOC(=O)[C@H](C)[N@H+](C)CCC[NH3+] ZINC000843351479 588102422 /nfs/dbraw/zinc/10/24/22/588102422.db2.gz XBADKWJKKUSKFJ-JTQLQIEISA-N 2 2 216.325 0.999 20 0 BCADLP CCCCOC(=O)[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000843351479 588102423 /nfs/dbraw/zinc/10/24/23/588102423.db2.gz XBADKWJKKUSKFJ-JTQLQIEISA-N 2 2 216.325 0.999 20 0 BCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC000843348386 588102523 /nfs/dbraw/zinc/10/25/23/588102523.db2.gz MHCLBGCVTLGGHB-SNVBAGLBSA-N 2 2 249.314 0.611 20 0 BCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC000843348386 588102524 /nfs/dbraw/zinc/10/25/24/588102524.db2.gz MHCLBGCVTLGGHB-SNVBAGLBSA-N 2 2 249.314 0.611 20 0 BCADLP CCCOC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000843381700 588105948 /nfs/dbraw/zinc/10/59/48/588105948.db2.gz GOTMLAUEFSYNQD-CMPLNLGQSA-N 2 2 228.336 0.999 20 0 BCADLP CCCOC(=O)[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000843381700 588105949 /nfs/dbraw/zinc/10/59/49/588105949.db2.gz GOTMLAUEFSYNQD-CMPLNLGQSA-N 2 2 228.336 0.999 20 0 BCADLP CC[NH2+]CC(=O)NCCCNc1cccc[nH+]1 ZINC000844170382 588171490 /nfs/dbraw/zinc/17/14/90/588171490.db2.gz CDEJHNXIWDJIFF-UHFFFAOYSA-N 2 2 236.319 0.609 20 0 BCADLP C[N@H+](CCOCC[NH3+])Cc1nnc2ccccn21 ZINC000844221586 588174081 /nfs/dbraw/zinc/17/40/81/588174081.db2.gz GYEZWAYAQCZIOA-UHFFFAOYSA-N 2 2 249.318 0.136 20 0 BCADLP C[N@@H+](CCOCC[NH3+])Cc1nnc2ccccn21 ZINC000844221586 588174082 /nfs/dbraw/zinc/17/40/82/588174082.db2.gz GYEZWAYAQCZIOA-UHFFFAOYSA-N 2 2 249.318 0.136 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(F)nc1 ZINC000846668713 588281690 /nfs/dbraw/zinc/28/16/90/588281690.db2.gz KIQMEEVVPZVDAK-SECBINFHSA-N 2 2 240.282 0.438 20 0 BCADLP C[C@@H](C[NH3+])NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000846675405 588281909 /nfs/dbraw/zinc/28/19/09/588281909.db2.gz RPQHNDNEHVFQJW-IUCAKERBSA-N 2 2 210.281 0.298 20 0 BCADLP O[C@@H](C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)C1CC1 ZINC000846876355 588295004 /nfs/dbraw/zinc/29/50/04/588295004.db2.gz QMEOORZEITWFRZ-NSHDSACASA-N 2 2 236.319 0.303 20 0 BCADLP CN(C)C(=[NH2+])NCCCCn1cc[nH+]c1 ZINC000848995316 588428547 /nfs/dbraw/zinc/42/85/47/588428547.db2.gz DZSYNTUUNDBFSJ-UHFFFAOYSA-N 2 2 209.297 0.749 20 0 BCADLP CC[C@H](C)NC(=[NH2+])NCC[N@H+](C)CCOC ZINC000849000599 588430899 /nfs/dbraw/zinc/43/08/99/588430899.db2.gz HTVSIHTWCWJQLK-JTQLQIEISA-N 2 2 230.356 0.477 20 0 BCADLP CC[C@H](C)NC(=[NH2+])NCC[N@@H+](C)CCOC ZINC000849000599 588430901 /nfs/dbraw/zinc/43/09/01/588430901.db2.gz HTVSIHTWCWJQLK-JTQLQIEISA-N 2 2 230.356 0.477 20 0 BCADLP CCNC(=[NH2+])NCC[N@@H+]1CCOCC1(C)C ZINC000849003620 588431155 /nfs/dbraw/zinc/43/11/55/588431155.db2.gz VYJGWTVREFXKIR-UHFFFAOYSA-N 2 2 228.340 0.231 20 0 BCADLP CCNC(=[NH2+])NCC[N@H+]1CCOCC1(C)C ZINC000849003620 588431156 /nfs/dbraw/zinc/43/11/56/588431156.db2.gz VYJGWTVREFXKIR-UHFFFAOYSA-N 2 2 228.340 0.231 20 0 BCADLP CC[N@H+](CCNC(N)=[NH2+])CCC(F)(F)F ZINC000849022162 588439222 /nfs/dbraw/zinc/43/92/22/588439222.db2.gz FAZAVZCMFGDXAB-UHFFFAOYSA-N 2 2 226.246 0.744 20 0 BCADLP CC[N@@H+](CCNC(N)=[NH2+])CCC(F)(F)F ZINC000849022162 588439223 /nfs/dbraw/zinc/43/92/23/588439223.db2.gz FAZAVZCMFGDXAB-UHFFFAOYSA-N 2 2 226.246 0.744 20 0 BCADLP CCOCCCNC(=[NH2+])NCc1c[nH+]cn1C ZINC000849029203 588441775 /nfs/dbraw/zinc/44/17/75/588441775.db2.gz KMFLVRVTQRAXQG-UHFFFAOYSA-N 2 2 239.323 0.461 20 0 BCADLP C[NH+](C)CCn1cc(Cn2cc[nH+]c2)nn1 ZINC000849138014 588454301 /nfs/dbraw/zinc/45/43/01/588454301.db2.gz WBZRYEQHEBCBBU-UHFFFAOYSA-N 2 2 220.280 0.085 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@](C)(CO)C2CC2)n1C ZINC000850180662 588524627 /nfs/dbraw/zinc/52/46/27/588524627.db2.gz BOUDRLAJIGAYRU-LBPRGKRZSA-N 2 2 223.320 0.979 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CCN(C=O)CC2)C1 ZINC000850557678 588560456 /nfs/dbraw/zinc/56/04/56/588560456.db2.gz XEIWBJULOHKBBU-ZDUSSCGKSA-N 2 2 239.363 0.681 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+]C2CCN(C=O)CC2)C1 ZINC000850557678 588560457 /nfs/dbraw/zinc/56/04/57/588560457.db2.gz XEIWBJULOHKBBU-ZDUSSCGKSA-N 2 2 239.363 0.681 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC000851867561 588636871 /nfs/dbraw/zinc/63/68/71/588636871.db2.gz IRWGSCBQAGYHML-SECBINFHSA-N 2 2 233.275 0.793 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC000851867561 588636872 /nfs/dbraw/zinc/63/68/72/588636872.db2.gz IRWGSCBQAGYHML-SECBINFHSA-N 2 2 233.275 0.793 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2C[C@@]2(CO)C1 ZINC000851968817 588649324 /nfs/dbraw/zinc/64/93/24/588649324.db2.gz SBRMYEJWLZCHHK-AGIUHOORSA-N 2 2 242.363 0.002 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2C[C@@]2(CO)C1 ZINC000851968817 588649325 /nfs/dbraw/zinc/64/93/25/588649325.db2.gz SBRMYEJWLZCHHK-AGIUHOORSA-N 2 2 242.363 0.002 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000851968817 588649326 /nfs/dbraw/zinc/64/93/26/588649326.db2.gz SBRMYEJWLZCHHK-AGIUHOORSA-N 2 2 242.363 0.002 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000851968817 588649327 /nfs/dbraw/zinc/64/93/27/588649327.db2.gz SBRMYEJWLZCHHK-AGIUHOORSA-N 2 2 242.363 0.002 20 0 BCADLP CC(=O)CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000852710840 588697351 /nfs/dbraw/zinc/69/73/51/588697351.db2.gz WVEKPTBPTOBDSZ-CYBMUJFWSA-N 2 2 240.347 0.497 20 0 BCADLP CC(=O)CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000852710840 588697352 /nfs/dbraw/zinc/69/73/52/588697352.db2.gz WVEKPTBPTOBDSZ-CYBMUJFWSA-N 2 2 240.347 0.497 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000852746340 588698862 /nfs/dbraw/zinc/69/88/62/588698862.db2.gz IZXPQQNVGJOTTR-LBPRGKRZSA-N 3 2 239.363 0.050 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000852746340 588698863 /nfs/dbraw/zinc/69/88/63/588698863.db2.gz IZXPQQNVGJOTTR-LBPRGKRZSA-N 3 2 239.363 0.050 20 0 BCADLP COC[C@H](C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)OC ZINC000852751237 588700343 /nfs/dbraw/zinc/70/03/43/588700343.db2.gz UFWWUBKDWKRRMU-RYUDHWBXSA-N 2 2 228.336 0.476 20 0 BCADLP COC[C@H](C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)OC ZINC000852751237 588700344 /nfs/dbraw/zinc/70/03/44/588700344.db2.gz UFWWUBKDWKRRMU-RYUDHWBXSA-N 2 2 228.336 0.476 20 0 BCADLP COC(=O)[C@@]1(F)CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000852753807 588700505 /nfs/dbraw/zinc/70/05/05/588700505.db2.gz SKUIJPVGARAGHE-GXSJLCMTSA-N 2 2 230.283 0.183 20 0 BCADLP COC(=O)[C@@]1(F)CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000852753807 588700506 /nfs/dbraw/zinc/70/05/06/588700506.db2.gz SKUIJPVGARAGHE-GXSJLCMTSA-N 2 2 230.283 0.183 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000852836511 588707092 /nfs/dbraw/zinc/70/70/92/588707092.db2.gz BBJMGZDWRIQWCL-JTQLQIEISA-N 2 2 226.255 0.070 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C=C1CC[NH2+]CC1 ZINC000852860155 588709082 /nfs/dbraw/zinc/70/90/82/588709082.db2.gz LIRUJMMSZGCDGO-NSHDSACASA-N 2 2 248.330 0.698 20 0 BCADLP Cc1c[nH+]cn1CC(=O)OCC[NH+]1CCC1 ZINC000861390590 589164088 /nfs/dbraw/zinc/16/40/88/589164088.db2.gz BSGBZSBSCFMMNE-UHFFFAOYSA-N 2 2 223.276 0.440 20 0 BCADLP [NH3+]CCCOCC[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000863544821 589297898 /nfs/dbraw/zinc/29/78/98/589297898.db2.gz BYPBMJGAQBIBEB-LLVKDONJSA-N 2 2 238.335 0.742 20 0 BCADLP [NH3+]CCCOCC[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000863544822 589297982 /nfs/dbraw/zinc/29/79/82/589297982.db2.gz BYPBMJGAQBIBEB-NSHDSACASA-N 2 2 238.335 0.742 20 0 BCADLP CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000863547380 589298447 /nfs/dbraw/zinc/29/84/47/589298447.db2.gz KDYFRNVJTBULAH-AEJSXWLSSA-N 2 2 229.324 0.125 20 0 BCADLP CON(C)C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000863547387 589298573 /nfs/dbraw/zinc/29/85/73/589298573.db2.gz KDYFRNVJTBULAH-UTLUCORTSA-N 2 2 229.324 0.125 20 0 BCADLP CC(C)OC(=O)CC[N@H+](C)C[C@H](C)[NH3+] ZINC000863567755 589299875 /nfs/dbraw/zinc/29/98/75/589299875.db2.gz GPJAPTLQGZKYPT-VIFPVBQESA-N 2 2 202.298 0.607 20 0 BCADLP CC(C)OC(=O)CC[N@@H+](C)C[C@H](C)[NH3+] ZINC000863567755 589299876 /nfs/dbraw/zinc/29/98/76/589299876.db2.gz GPJAPTLQGZKYPT-VIFPVBQESA-N 2 2 202.298 0.607 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)CCC(=O)Nc1cccnc1 ZINC000863570372 589300711 /nfs/dbraw/zinc/30/07/11/589300711.db2.gz WGJQWZUOKHFLFB-JTQLQIEISA-N 2 2 236.319 0.689 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)CCC(=O)Nc1cccnc1 ZINC000863570372 589300712 /nfs/dbraw/zinc/30/07/12/589300712.db2.gz WGJQWZUOKHFLFB-JTQLQIEISA-N 2 2 236.319 0.689 20 0 BCADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]CC2(F)CC2)C1 ZINC000865660538 589454912 /nfs/dbraw/zinc/45/49/12/589454912.db2.gz UPNSPVWVQFLAKU-JTQLQIEISA-N 2 2 230.327 0.923 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000865693102 589456373 /nfs/dbraw/zinc/45/63/73/589456373.db2.gz FUCZOQINVYYLHL-LZRJYULZSA-N 2 2 236.359 0.950 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000865693102 589456374 /nfs/dbraw/zinc/45/63/74/589456374.db2.gz FUCZOQINVYYLHL-LZRJYULZSA-N 2 2 236.359 0.950 20 0 BCADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H](O)[C@@H](C)O)n2c1 ZINC000865739994 589460183 /nfs/dbraw/zinc/46/01/83/589460183.db2.gz YXEJGCUTZSPEDR-ZYHUDNBSSA-N 2 2 249.314 0.474 20 0 BCADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCSC2)C1 ZINC000866411864 589490934 /nfs/dbraw/zinc/49/09/34/589490934.db2.gz XOWMJJLMTXNBSI-WDEREUQCSA-N 2 2 244.404 0.927 20 0 BCADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCSC2)C1 ZINC000866411864 589490936 /nfs/dbraw/zinc/49/09/36/589490936.db2.gz XOWMJJLMTXNBSI-WDEREUQCSA-N 2 2 244.404 0.927 20 0 BCADLP CCOC[C@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866413021 589491173 /nfs/dbraw/zinc/49/11/73/589491173.db2.gz DYRLCPJSWSCPAY-RYUDHWBXSA-N 2 2 244.379 0.846 20 0 BCADLP CCOC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866413021 589491174 /nfs/dbraw/zinc/49/11/74/589491174.db2.gz DYRLCPJSWSCPAY-RYUDHWBXSA-N 2 2 244.379 0.846 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](C)C[C@H]1CCc2ncnn21 ZINC000866668233 589507353 /nfs/dbraw/zinc/50/73/53/589507353.db2.gz NXQOUKXKZUINMQ-RKDXNWHRSA-N 2 2 209.297 0.044 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC000866668233 589507355 /nfs/dbraw/zinc/50/73/55/589507355.db2.gz NXQOUKXKZUINMQ-RKDXNWHRSA-N 2 2 209.297 0.044 20 0 BCADLP c1nc2n(n1)[C@@H](C[N@@H+]1CC[C@@]3(CCC[NH2+]3)C1)CC2 ZINC000866666848 589509755 /nfs/dbraw/zinc/50/97/55/589509755.db2.gz WMBBYYBWYQPTRG-YPMHNXCESA-N 2 2 247.346 0.593 20 0 BCADLP c1nc2n(n1)[C@@H](C[N@H+]1CC[C@@]3(CCC[NH2+]3)C1)CC2 ZINC000866666848 589509756 /nfs/dbraw/zinc/50/97/56/589509756.db2.gz WMBBYYBWYQPTRG-YPMHNXCESA-N 2 2 247.346 0.593 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCc1ccc(C(N)=O)cc1 ZINC000866681668 589511326 /nfs/dbraw/zinc/51/13/26/589511326.db2.gz AOWDDILMVQGTCV-GXFFZTMASA-N 2 2 247.342 0.750 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCc1ccc(C(N)=O)cc1 ZINC000866681668 589511327 /nfs/dbraw/zinc/51/13/27/589511327.db2.gz AOWDDILMVQGTCV-GXFFZTMASA-N 2 2 247.342 0.750 20 0 BCADLP Cn1cc(CC[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)cn1 ZINC000866723564 589516058 /nfs/dbraw/zinc/51/60/58/589516058.db2.gz FXUOPIHUWVJSTG-QWHCGFSZSA-N 2 2 234.347 0.789 20 0 BCADLP Cn1cc(CC[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)cn1 ZINC000866723564 589516059 /nfs/dbraw/zinc/51/60/59/589516059.db2.gz FXUOPIHUWVJSTG-QWHCGFSZSA-N 2 2 234.347 0.789 20 0 BCADLP C[C@H](CC(=O)N1CC[C@@](C)([NH3+])C1)n1cc[nH+]c1 ZINC000868080552 589548915 /nfs/dbraw/zinc/54/89/15/589548915.db2.gz WPZHTBQGCNBGFU-ZYHUDNBSSA-N 2 2 236.319 0.784 20 0 BCADLP C[C@@H](CNC(=O)NCc1c[nH+]cn1C)[NH+](C)C ZINC000868676251 589572397 /nfs/dbraw/zinc/57/23/97/589572397.db2.gz WOAONICCZKUMSE-VIFPVBQESA-N 2 2 239.323 0.169 20 0 BCADLP O=C(CCC12CC(C1)C[NH2+]2)NCc1c[nH+]c[nH]1 ZINC000870891863 589695068 /nfs/dbraw/zinc/69/50/68/589695068.db2.gz KLPJESFHWNMJEY-UHFFFAOYSA-N 2 2 234.303 0.558 20 0 BCADLP O=C(CCC12CC(C1)C[NH2+]2)NCc1c[nH]c[nH+]1 ZINC000870891863 589695070 /nfs/dbraw/zinc/69/50/70/589695070.db2.gz KLPJESFHWNMJEY-UHFFFAOYSA-N 2 2 234.303 0.558 20 0 BCADLP CC(C)(O)C[C@H](O)C[NH2+]CCCn1cc[nH+]c1 ZINC000871965095 589848327 /nfs/dbraw/zinc/84/83/27/589848327.db2.gz MHGUSVOXODHQTL-NSHDSACASA-N 2 2 241.335 0.385 20 0 BCADLP [NH3+]CC[N@H+](CCO)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000872143448 589882924 /nfs/dbraw/zinc/88/29/24/589882924.db2.gz MOYWJTDKOGIOAC-SDDRHHMPSA-N 2 2 228.336 0.197 20 0 BCADLP [NH3+]CC[N@@H+](CCO)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000872143448 589882926 /nfs/dbraw/zinc/88/29/26/589882926.db2.gz MOYWJTDKOGIOAC-SDDRHHMPSA-N 2 2 228.336 0.197 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CC3(CCC3)CO2)CCO1 ZINC000872144410 589883977 /nfs/dbraw/zinc/88/39/77/589883977.db2.gz YHSAYGZUGGDOIL-RYUDHWBXSA-N 2 2 240.347 0.605 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CC3(CCC3)CO2)CCO1 ZINC000872144410 589883979 /nfs/dbraw/zinc/88/39/79/589883979.db2.gz YHSAYGZUGGDOIL-RYUDHWBXSA-N 2 2 240.347 0.605 20 0 BCADLP CC(=O)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000872146894 589884801 /nfs/dbraw/zinc/88/48/01/589884801.db2.gz ZZNAUCCZKSPHOO-GFCCVEGCSA-N 2 2 226.320 0.276 20 0 BCADLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)O)C1 ZINC000872201119 589890151 /nfs/dbraw/zinc/89/01/51/589890151.db2.gz WFLDJPXTMIBZBB-MNOVXSKESA-N 2 2 230.352 0.192 20 0 BCADLP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)O)C1 ZINC000872201119 589890152 /nfs/dbraw/zinc/89/01/52/589890152.db2.gz WFLDJPXTMIBZBB-MNOVXSKESA-N 2 2 230.352 0.192 20 0 BCADLP C[C@H]1C[N@H+](Cc2cnc(N)cn2)CC[C@@H]1[NH3+] ZINC000873201950 589993021 /nfs/dbraw/zinc/99/30/21/589993021.db2.gz QQKYPSWFPOUXHR-WPRPVWTQSA-N 2 2 221.308 0.228 20 0 BCADLP C[C@H]1C[N@@H+](Cc2cnc(N)cn2)CC[C@@H]1[NH3+] ZINC000873201950 589993024 /nfs/dbraw/zinc/99/30/24/589993024.db2.gz QQKYPSWFPOUXHR-WPRPVWTQSA-N 2 2 221.308 0.228 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cnc(N)cn2)C1 ZINC000873201004 589993280 /nfs/dbraw/zinc/99/32/80/589993280.db2.gz IQJSQUWNZHUUNI-SNVBAGLBSA-N 2 2 235.335 0.490 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cnc(N)cn2)C1 ZINC000873201004 589993282 /nfs/dbraw/zinc/99/32/82/589993282.db2.gz IQJSQUWNZHUUNI-SNVBAGLBSA-N 2 2 235.335 0.490 20 0 BCADLP C[C@@H]1C[N@H+](Cc2cnc(N)cn2)CC[C@H]1[NH3+] ZINC000873201947 589993367 /nfs/dbraw/zinc/99/33/67/589993367.db2.gz QQKYPSWFPOUXHR-PSASIEDQSA-N 2 2 221.308 0.228 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2cnc(N)cn2)CC[C@H]1[NH3+] ZINC000873201947 589993369 /nfs/dbraw/zinc/99/33/69/589993369.db2.gz QQKYPSWFPOUXHR-PSASIEDQSA-N 2 2 221.308 0.228 20 0 BCADLP Nc1cnc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000873210735 589995020 /nfs/dbraw/zinc/99/50/20/589995020.db2.gz PYCBDSHQRICBNY-KOLCDFICSA-N 2 2 233.319 0.243 20 0 BCADLP Nc1cnc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000873210735 589995021 /nfs/dbraw/zinc/99/50/21/589995021.db2.gz PYCBDSHQRICBNY-KOLCDFICSA-N 2 2 233.319 0.243 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000873211249 589995912 /nfs/dbraw/zinc/99/59/12/589995912.db2.gz WQHZMFGOQIGOLU-UTUOFQBUSA-N 3 2 211.353 0.511 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000873211249 589995915 /nfs/dbraw/zinc/99/59/15/589995915.db2.gz WQHZMFGOQIGOLU-UTUOFQBUSA-N 3 2 211.353 0.511 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@]13C[C@H]1C[NH2+]C3)C2 ZINC000873229002 590000802 /nfs/dbraw/zinc/00/08/02/590000802.db2.gz NCPIPXJECHHEHM-WUHRBBMRSA-N 3 2 221.348 0.137 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@]13C[C@H]1C[NH2+]C3)C2 ZINC000873229002 590000805 /nfs/dbraw/zinc/00/08/05/590000805.db2.gz NCPIPXJECHHEHM-WUHRBBMRSA-N 3 2 221.348 0.137 20 0 BCADLP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1nnnn1C1CC1 ZINC000873248313 590006852 /nfs/dbraw/zinc/00/68/52/590006852.db2.gz CVFRXUPJIPWCTA-YUMQZZPRSA-N 2 2 236.323 0.267 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000873281801 590018971 /nfs/dbraw/zinc/01/89/71/590018971.db2.gz BTPRQNWPKLZTHK-UWVGGRQHSA-N 2 2 213.325 0.324 20 0 BCADLP Cc1nonc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000873295569 590024296 /nfs/dbraw/zinc/02/42/96/590024296.db2.gz KKSQJKDCRYXYAM-BDAKNGLRSA-N 2 2 210.281 0.738 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C[NH+]1CCCC1 ZINC000874444125 590111358 /nfs/dbraw/zinc/11/13/58/590111358.db2.gz HLDRPUPOMINDLA-UHFFFAOYSA-N 2 2 222.292 0.464 20 0 BCADLP Nc1ccc(NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)c[nH+]1 ZINC000876523494 590207840 /nfs/dbraw/zinc/20/78/40/590207840.db2.gz YDCVJUOOKALQIY-OIBJUYFYSA-N 2 2 238.266 0.550 20 0 BCADLP Nc1ccc(NC(=O)CC[NH2+]CC2CC2)c[nH+]1 ZINC000876523397 590207854 /nfs/dbraw/zinc/20/78/54/590207854.db2.gz USHMAYMAOXUJES-UHFFFAOYSA-N 2 2 234.303 0.992 20 0 BCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000876708800 590232754 /nfs/dbraw/zinc/23/27/54/590232754.db2.gz BBACZBPBDZNNEK-JGLYPNHGSA-N 2 2 248.330 0.411 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000876763372 590238588 /nfs/dbraw/zinc/23/85/88/590238588.db2.gz FAGWQGHVTYZPRS-JGVFFNPUSA-N 2 2 222.292 0.399 20 0 BCADLP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCc1[nH]cc[nH+]1 ZINC000876763034 590238763 /nfs/dbraw/zinc/23/87/63/590238763.db2.gz CMGNLKRJXFZLRB-FSIBCCDJSA-N 2 2 234.303 0.582 20 0 BCADLP O=C(C=C[C@@H]1CCC[NH2+]C1)NCc1[nH]cc[nH+]1 ZINC000876763034 590238764 /nfs/dbraw/zinc/23/87/64/590238764.db2.gz CMGNLKRJXFZLRB-FSIBCCDJSA-N 2 2 234.303 0.582 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876778503 590240500 /nfs/dbraw/zinc/24/05/00/590240500.db2.gz GYSRZJOMPJBFGT-PSASIEDQSA-N 2 2 236.319 0.708 20 0 BCADLP O=C(/C=C\[C@H]1CCC[NH2+]C1)NCc1c[nH+]c[nH]1 ZINC000876882503 590253038 /nfs/dbraw/zinc/25/30/38/590253038.db2.gz JTIOERFAVGMCNV-UMBAGQNISA-N 2 2 234.303 0.582 20 0 BCADLP O=C(C=C[C@H]1CCC[NH2+]C1)NCc1c[nH]c[nH+]1 ZINC000876882503 590253040 /nfs/dbraw/zinc/25/30/40/590253040.db2.gz JTIOERFAVGMCNV-UMBAGQNISA-N 2 2 234.303 0.582 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000876925321 590257757 /nfs/dbraw/zinc/25/77/57/590257757.db2.gz ZNMCGPVJGCFNOC-CYBMUJFWSA-N 2 2 248.330 0.615 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877285332 590306921 /nfs/dbraw/zinc/30/69/21/590306921.db2.gz ZJTYTNCFJWMVGD-VXGBXAGGSA-N 2 2 248.330 0.626 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877386465 590321714 /nfs/dbraw/zinc/32/17/14/590321714.db2.gz RMTAIWNLHPLJML-YPMHNXCESA-N 2 2 248.330 0.661 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877386465 590321717 /nfs/dbraw/zinc/32/17/17/590321717.db2.gz RMTAIWNLHPLJML-YPMHNXCESA-N 2 2 248.330 0.661 20 0 BCADLP Cn1nccc1C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877744059 590411716 /nfs/dbraw/zinc/41/17/16/590411716.db2.gz OJHBJEAONIKEPV-DGCLKSJQSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1nccc1C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877744059 590411720 /nfs/dbraw/zinc/41/17/20/590411720.db2.gz OJHBJEAONIKEPV-DGCLKSJQSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1nccc1C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877744059 590411721 /nfs/dbraw/zinc/41/17/21/590411721.db2.gz OJHBJEAONIKEPV-DGCLKSJQSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1nccc1C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877744059 590411724 /nfs/dbraw/zinc/41/17/24/590411724.db2.gz OJHBJEAONIKEPV-DGCLKSJQSA-N 2 2 234.347 0.946 20 0 BCADLP C[N@H+](C/C=C/Cl)CC(=O)N1CC[NH+](C)CC1 ZINC000879352747 590752002 /nfs/dbraw/zinc/75/20/02/590752002.db2.gz BIPSXMHSTXTRBL-ONEGZZNKSA-N 2 2 245.754 0.445 20 0 BCADLP C[N@@H+](C/C=C/Cl)CC(=O)N1CC[NH+](C)CC1 ZINC000879352747 590752006 /nfs/dbraw/zinc/75/20/06/590752006.db2.gz BIPSXMHSTXTRBL-ONEGZZNKSA-N 2 2 245.754 0.445 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879567425 590805977 /nfs/dbraw/zinc/80/59/77/590805977.db2.gz QHTYPPVSNQKORI-NEPJUHHUSA-N 2 2 239.363 0.537 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879567425 590805980 /nfs/dbraw/zinc/80/59/80/590805980.db2.gz QHTYPPVSNQKORI-NEPJUHHUSA-N 2 2 239.363 0.537 20 0 BCADLP CC(C)NC(=O)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879567425 590805984 /nfs/dbraw/zinc/80/59/84/590805984.db2.gz QHTYPPVSNQKORI-NEPJUHHUSA-N 2 2 239.363 0.537 20 0 BCADLP CC(C)NC(=O)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879567425 590805990 /nfs/dbraw/zinc/80/59/90/590805990.db2.gz QHTYPPVSNQKORI-NEPJUHHUSA-N 2 2 239.363 0.537 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC(=O)O3)CC[C@@H]21 ZINC000879578307 590813273 /nfs/dbraw/zinc/81/32/73/590813273.db2.gz CYFZYQFVTMLCCU-UTUOFQBUSA-N 2 2 238.331 0.718 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC(=O)O3)CC[C@@H]21 ZINC000879578307 590813275 /nfs/dbraw/zinc/81/32/75/590813275.db2.gz CYFZYQFVTMLCCU-UTUOFQBUSA-N 2 2 238.331 0.718 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCC(=O)O3)CC[C@@H]21 ZINC000879578307 590813280 /nfs/dbraw/zinc/81/32/80/590813280.db2.gz CYFZYQFVTMLCCU-UTUOFQBUSA-N 2 2 238.331 0.718 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCC(=O)O3)CC[C@@H]21 ZINC000879578307 590813291 /nfs/dbraw/zinc/81/32/91/590813291.db2.gz CYFZYQFVTMLCCU-UTUOFQBUSA-N 2 2 238.331 0.718 20 0 BCADLP CC(=O)[C@](C)(O)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580129 590817212 /nfs/dbraw/zinc/81/72/12/590817212.db2.gz RRYLICYDJQQOFP-JHJVBQTASA-N 2 2 240.347 0.352 20 0 BCADLP CC(=O)[C@](C)(O)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580129 590817215 /nfs/dbraw/zinc/81/72/15/590817215.db2.gz RRYLICYDJQQOFP-JHJVBQTASA-N 2 2 240.347 0.352 20 0 BCADLP CC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580129 590817217 /nfs/dbraw/zinc/81/72/17/590817217.db2.gz RRYLICYDJQQOFP-JHJVBQTASA-N 2 2 240.347 0.352 20 0 BCADLP CC(=O)[C@](C)(O)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580129 590817221 /nfs/dbraw/zinc/81/72/21/590817221.db2.gz RRYLICYDJQQOFP-JHJVBQTASA-N 2 2 240.347 0.352 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](CC3OCCO3)CC[C@H]21 ZINC000879579979 590817919 /nfs/dbraw/zinc/81/79/19/590817919.db2.gz CQAAQZNYTVWKSV-GHMZBOCLSA-N 2 2 226.320 0.385 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](CC3OCCO3)CC[C@H]21 ZINC000879579979 590817921 /nfs/dbraw/zinc/81/79/21/590817921.db2.gz CQAAQZNYTVWKSV-GHMZBOCLSA-N 2 2 226.320 0.385 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](CC3OCCO3)CC[C@H]21 ZINC000879579979 590817924 /nfs/dbraw/zinc/81/79/24/590817924.db2.gz CQAAQZNYTVWKSV-GHMZBOCLSA-N 2 2 226.320 0.385 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](CC3OCCO3)CC[C@H]21 ZINC000879579979 590817927 /nfs/dbraw/zinc/81/79/27/590817927.db2.gz CQAAQZNYTVWKSV-GHMZBOCLSA-N 2 2 226.320 0.385 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879583359 590821866 /nfs/dbraw/zinc/82/18/66/590821866.db2.gz YCKOBWYCQXIFIX-JSGCOSHPSA-N 3 2 248.374 0.989 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879583359 590821869 /nfs/dbraw/zinc/82/18/69/590821869.db2.gz YCKOBWYCQXIFIX-JSGCOSHPSA-N 3 2 248.374 0.989 20 0 BCADLP Cn1c[nH+]cc1CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879583359 590821871 /nfs/dbraw/zinc/82/18/71/590821871.db2.gz YCKOBWYCQXIFIX-JSGCOSHPSA-N 3 2 248.374 0.989 20 0 BCADLP Cn1c[nH+]cc1CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879583359 590821874 /nfs/dbraw/zinc/82/18/74/590821874.db2.gz YCKOBWYCQXIFIX-JSGCOSHPSA-N 3 2 248.374 0.989 20 0 BCADLP CN(C)C(=O)CC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880132931 590933640 /nfs/dbraw/zinc/93/36/40/590933640.db2.gz RDMGQQYBVDBKOD-NWDGAFQWSA-N 2 2 239.363 0.633 20 0 BCADLP CN(C)C(=O)CC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880132931 590933636 /nfs/dbraw/zinc/93/36/36/590933636.db2.gz RDMGQQYBVDBKOD-NWDGAFQWSA-N 2 2 239.363 0.633 20 0 BCADLP CN(C)C(=O)CC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880132931 590933642 /nfs/dbraw/zinc/93/36/42/590933642.db2.gz RDMGQQYBVDBKOD-NWDGAFQWSA-N 2 2 239.363 0.633 20 0 BCADLP CN(C)C(=O)CC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880132931 590933646 /nfs/dbraw/zinc/93/36/46/590933646.db2.gz RDMGQQYBVDBKOD-NWDGAFQWSA-N 2 2 239.363 0.633 20 0 BCADLP CNC(=O)CC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880132022 590935320 /nfs/dbraw/zinc/93/53/20/590935320.db2.gz MGZIOEBGBKMFHP-QWRGUYRKSA-N 2 2 225.336 0.291 20 0 BCADLP CNC(=O)CC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880132022 590935322 /nfs/dbraw/zinc/93/53/22/590935322.db2.gz MGZIOEBGBKMFHP-QWRGUYRKSA-N 2 2 225.336 0.291 20 0 BCADLP CNC(=O)CC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880132022 590935325 /nfs/dbraw/zinc/93/53/25/590935325.db2.gz MGZIOEBGBKMFHP-QWRGUYRKSA-N 2 2 225.336 0.291 20 0 BCADLP CNC(=O)CC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880132022 590935326 /nfs/dbraw/zinc/93/53/26/590935326.db2.gz MGZIOEBGBKMFHP-QWRGUYRKSA-N 2 2 225.336 0.291 20 0 BCADLP COCCOCC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880133118 590935661 /nfs/dbraw/zinc/93/56/61/590935661.db2.gz NCUVTLYYTIWEQJ-STQMWFEESA-N 2 2 242.363 0.818 20 0 BCADLP COCCOCC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880133118 590935663 /nfs/dbraw/zinc/93/56/63/590935663.db2.gz NCUVTLYYTIWEQJ-STQMWFEESA-N 2 2 242.363 0.818 20 0 BCADLP COCCOCC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880133118 590935666 /nfs/dbraw/zinc/93/56/66/590935666.db2.gz NCUVTLYYTIWEQJ-STQMWFEESA-N 2 2 242.363 0.818 20 0 BCADLP COCCOCC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880133118 590935667 /nfs/dbraw/zinc/93/56/67/590935667.db2.gz NCUVTLYYTIWEQJ-STQMWFEESA-N 2 2 242.363 0.818 20 0 BCADLP Nc1cc(C[N@@H+]2CC=C[C@@H]2CO)cc[nH+]1 ZINC000880488821 591066645 /nfs/dbraw/zinc/06/66/45/591066645.db2.gz NBBGITFVPLYVPG-SNVBAGLBSA-N 2 2 205.261 0.397 20 0 BCADLP Nc1cc(C[N@H+]2CC=C[C@@H]2CO)cc[nH+]1 ZINC000880488821 591066651 /nfs/dbraw/zinc/06/66/51/591066651.db2.gz NBBGITFVPLYVPG-SNVBAGLBSA-N 2 2 205.261 0.397 20 0 BCADLP CC[N@H+]1[C@H](C)CN(C(=O)[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC000880611526 591111024 /nfs/dbraw/zinc/11/10/24/591111024.db2.gz UUYDQBIMNQSPLA-GRYCIOLGSA-N 2 2 241.379 0.878 20 0 BCADLP CC[N@@H+]1[C@H](C)CN(C(=O)[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC000880611526 591111027 /nfs/dbraw/zinc/11/10/27/591111027.db2.gz UUYDQBIMNQSPLA-GRYCIOLGSA-N 2 2 241.379 0.878 20 0 BCADLP CC[N@@H+]1CC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000882492791 591373129 /nfs/dbraw/zinc/37/31/29/591373129.db2.gz WKAGIJYWOOECRO-JTQLQIEISA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@H+]1CC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000882492791 591373134 /nfs/dbraw/zinc/37/31/34/591373134.db2.gz WKAGIJYWOOECRO-JTQLQIEISA-N 2 2 236.319 0.553 20 0 BCADLP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](C)C2)C[N@@H+]1C1CC1 ZINC000130313094 591457520 /nfs/dbraw/zinc/45/75/20/591457520.db2.gz BGLNJNZJRBPGSP-IJLUTSLNSA-N 2 2 223.364 0.905 20 0 BCADLP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](C)C2)C[N@H+]1C1CC1 ZINC000130313094 591457521 /nfs/dbraw/zinc/45/75/21/591457521.db2.gz BGLNJNZJRBPGSP-IJLUTSLNSA-N 2 2 223.364 0.905 20 0 BCADLP C[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](C)C2)C[NH+]1C1CC1 ZINC000130313094 591457524 /nfs/dbraw/zinc/45/75/24/591457524.db2.gz BGLNJNZJRBPGSP-IJLUTSLNSA-N 2 2 223.364 0.905 20 0 BCADLP C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](C)C2)C[NH+]1C1CC1 ZINC000130313094 591457529 /nfs/dbraw/zinc/45/75/29/591457529.db2.gz BGLNJNZJRBPGSP-IJLUTSLNSA-N 2 2 223.364 0.905 20 0 BCADLP CON(C)CC[NH2+]Cc1c[nH+]c(C)n1C ZINC000883171199 591560485 /nfs/dbraw/zinc/56/04/85/591560485.db2.gz QVKXKSFUHJYELW-UHFFFAOYSA-N 2 2 212.297 0.311 20 0 BCADLP [NH3+][C@H]1CC[N@H+](C[C@H]2CCC3(CCOCC3)O2)C1 ZINC000883417330 591652413 /nfs/dbraw/zinc/65/24/13/591652413.db2.gz WYUGCVGNEAMZMR-NWDGAFQWSA-N 2 2 240.347 0.748 20 0 BCADLP [NH3+][C@H]1CC[N@@H+](C[C@H]2CCC3(CCOCC3)O2)C1 ZINC000883417330 591652416 /nfs/dbraw/zinc/65/24/16/591652416.db2.gz WYUGCVGNEAMZMR-NWDGAFQWSA-N 2 2 240.347 0.748 20 0 BCADLP Cc1nonc1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000883441064 591668147 /nfs/dbraw/zinc/66/81/47/591668147.db2.gz GQQFXNDRZUEIJS-RKDXNWHRSA-N 2 2 210.281 0.593 20 0 BCADLP c1n[nH]cc1CC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000883440715 591668093 /nfs/dbraw/zinc/66/80/93/591668093.db2.gz XEVSCZBTPLIRTL-NWDGAFQWSA-N 2 2 220.320 0.779 20 0 BCADLP c1n[nH]cc1CC[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000883440715 591668096 /nfs/dbraw/zinc/66/80/96/591668096.db2.gz XEVSCZBTPLIRTL-NWDGAFQWSA-N 2 2 220.320 0.779 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883439521 591668516 /nfs/dbraw/zinc/66/85/16/591668516.db2.gz UBURFKBMNIHVSI-IUCAKERBSA-N 2 2 212.272 0.542 20 0 BCADLP C[NH2+]CCC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000883459102 591673717 /nfs/dbraw/zinc/67/37/17/591673717.db2.gz KAIVAJZSLIZPBR-UHFFFAOYSA-N 3 2 211.353 0.814 20 0 BCADLP C[NH2+]CCC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883459102 591673719 /nfs/dbraw/zinc/67/37/19/591673719.db2.gz KAIVAJZSLIZPBR-UHFFFAOYSA-N 3 2 211.353 0.814 20 0 BCADLP C[NH2+]CCC[N@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000883462765 591674318 /nfs/dbraw/zinc/67/43/18/591674318.db2.gz ZHEKMTRGYHBVPD-JTQLQIEISA-N 2 2 215.341 0.428 20 0 BCADLP C[NH2+]CCC[N@@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000883462765 591674321 /nfs/dbraw/zinc/67/43/21/591674321.db2.gz ZHEKMTRGYHBVPD-JTQLQIEISA-N 2 2 215.341 0.428 20 0 BCADLP CCS(=O)(=O)CC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000133615601 591842364 /nfs/dbraw/zinc/84/23/64/591842364.db2.gz VYIADKAOYGXLEF-UWVGGRQHSA-N 2 2 234.365 0.233 20 0 BCADLP CCS(=O)(=O)CC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000133615601 591842368 /nfs/dbraw/zinc/84/23/68/591842368.db2.gz VYIADKAOYGXLEF-UWVGGRQHSA-N 2 2 234.365 0.233 20 0 BCADLP COC[C@@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000133908901 591869093 /nfs/dbraw/zinc/86/90/93/591869093.db2.gz NPEFRPYVKBVGFZ-FOGDFJRCSA-N 2 2 228.336 0.209 20 0 BCADLP COC[C@@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000133908901 591869094 /nfs/dbraw/zinc/86/90/94/591869094.db2.gz NPEFRPYVKBVGFZ-FOGDFJRCSA-N 2 2 228.336 0.209 20 0 BCADLP COC[C@@H](O)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000133908777 591869298 /nfs/dbraw/zinc/86/92/98/591869298.db2.gz NPEFRPYVKBVGFZ-NHCYSSNCSA-N 2 2 228.336 0.209 20 0 BCADLP COC[C@@H](O)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000133908777 591869302 /nfs/dbraw/zinc/86/93/02/591869302.db2.gz NPEFRPYVKBVGFZ-NHCYSSNCSA-N 2 2 228.336 0.209 20 0 BCADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH3+])c[nH+]1 ZINC000884297891 591898603 /nfs/dbraw/zinc/89/86/03/591898603.db2.gz ZBFFJGLLDKZPHG-NXEZZACHSA-N 2 2 238.335 0.779 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884363500 591916774 /nfs/dbraw/zinc/91/67/74/591916774.db2.gz DGGJQGUDYZBUGD-VHSXEESVSA-N 2 2 236.319 0.503 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884363500 591916776 /nfs/dbraw/zinc/91/67/76/591916776.db2.gz DGGJQGUDYZBUGD-VHSXEESVSA-N 2 2 236.319 0.503 20 0 BCADLP O=C(CC[C@@H]1CC[NH2+]C1)NCCn1cc[nH+]c1 ZINC000134544856 591935965 /nfs/dbraw/zinc/93/59/65/591935965.db2.gz NWKGPHTWXCRXSH-LLVKDONJSA-N 2 2 236.319 0.389 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000137259281 592164497 /nfs/dbraw/zinc/16/44/97/592164497.db2.gz SSTMALSJAZEFEY-GXSJLCMTSA-N 2 2 236.319 0.515 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCn2nncc2C1 ZINC000886460891 592227770 /nfs/dbraw/zinc/22/77/70/592227770.db2.gz BIURMBQHPNLNET-GFCCVEGCSA-N 2 2 249.362 0.968 20 0 BCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCn2nncc2C1 ZINC000886460891 592227773 /nfs/dbraw/zinc/22/77/73/592227773.db2.gz BIURMBQHPNLNET-GFCCVEGCSA-N 2 2 249.362 0.968 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCn2nncc2C1 ZINC000886460891 592227775 /nfs/dbraw/zinc/22/77/75/592227775.db2.gz BIURMBQHPNLNET-GFCCVEGCSA-N 2 2 249.362 0.968 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCn2nncc2C1 ZINC000886460891 592227778 /nfs/dbraw/zinc/22/77/78/592227778.db2.gz BIURMBQHPNLNET-GFCCVEGCSA-N 2 2 249.362 0.968 20 0 BCADLP COC(=O)[C@H]1CC[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000886489133 592235954 /nfs/dbraw/zinc/23/59/54/592235954.db2.gz AMEOQGCYPMMPHN-WDEREUQCSA-N 2 2 237.303 0.814 20 0 BCADLP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000886609394 592274245 /nfs/dbraw/zinc/27/42/45/592274245.db2.gz SBIGHKIZZWGPHY-GARJFASQSA-N 2 2 228.336 0.868 20 0 BCADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000886609392 592274598 /nfs/dbraw/zinc/27/45/98/592274598.db2.gz SBIGHKIZZWGPHY-AXFHLTTASA-N 2 2 228.336 0.868 20 0 BCADLP CCn1c[nH+]c2c1CCN(C(=O)C[NH+](C)C)C2 ZINC000886622991 592279854 /nfs/dbraw/zinc/27/98/54/592279854.db2.gz NUUPKRKRWJFBDC-UHFFFAOYSA-N 2 2 236.319 0.349 20 0 BCADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC(N)=O ZINC000887131477 592448438 /nfs/dbraw/zinc/44/84/38/592448438.db2.gz YJWKEQZIDVRSGS-JTQLQIEISA-N 2 2 234.303 0.077 20 0 BCADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC(N)=O ZINC000887131477 592448440 /nfs/dbraw/zinc/44/84/40/592448440.db2.gz YJWKEQZIDVRSGS-JTQLQIEISA-N 2 2 234.303 0.077 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130240 592449051 /nfs/dbraw/zinc/44/90/51/592449051.db2.gz ABOCJVCJZYEGMX-WDEREUQCSA-N 2 2 248.330 0.466 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130240 592449056 /nfs/dbraw/zinc/44/90/56/592449056.db2.gz ABOCJVCJZYEGMX-WDEREUQCSA-N 2 2 248.330 0.466 20 0 BCADLP [NH2+]=C(NCCCn1cc[nH+]c1)NCC(F)F ZINC000887346117 592484186 /nfs/dbraw/zinc/48/41/86/592484186.db2.gz QVACOHUNBCSMSH-UHFFFAOYSA-N 2 2 231.250 0.652 20 0 BCADLP [NH2+]=C(NCCn1cc[nH+]c1)NCC1CC1 ZINC000887347520 592484755 /nfs/dbraw/zinc/48/47/55/592484755.db2.gz YFPLFDYABPCMEU-UHFFFAOYSA-N 2 2 207.281 0.407 20 0 BCADLP CC(C)C[C@H](O)C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000300275320 592505743 /nfs/dbraw/zinc/50/57/43/592505743.db2.gz NXOKYZARKXKIED-AVGNSLFASA-N 2 2 244.379 0.750 20 0 BCADLP Cn1c[nH+]c(CNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC000890103608 592679915 /nfs/dbraw/zinc/67/99/15/592679915.db2.gz ABSMUJQGWBSYHO-UHFFFAOYSA-N 2 2 236.319 0.378 20 0 BCADLP CC(C)[C@@H](C(=O)NCc1cn(C)c[nH+]1)[NH+](C)C ZINC000890110965 592684704 /nfs/dbraw/zinc/68/47/04/592684704.db2.gz XPLLBLVFAMKOAA-NSHDSACASA-N 2 2 238.335 0.623 20 0 BCADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000925702981 634379239 /nfs/dbraw/zinc/37/92/39/634379239.db2.gz CBIBLYBGMHQXNV-IJLVLRJLSA-N 3 2 239.363 0.080 20 0 BCADLP C(C[NH2+][C@H]1C[NH2+]CCOC1)C[C@@H]1CCC[NH2+]1 ZINC000925705163 634386945 /nfs/dbraw/zinc/38/69/45/634386945.db2.gz IBNNACODVYJZOG-RYUDHWBXSA-N 3 2 227.352 0.097 20 0 BCADLP CCCNC(=[NH2+])NCCc1cn(C)c[nH+]1 ZINC000313470459 634462888 /nfs/dbraw/zinc/46/28/88/634462888.db2.gz XNDODSOYGRKEPP-UHFFFAOYSA-N 2 2 209.297 0.487 20 0 BCADLP CC(C)([NH3+])CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925736602 634588645 /nfs/dbraw/zinc/58/86/45/634588645.db2.gz HXIFDBFHQMPPSL-KKJSVHSVSA-N 3 2 223.364 0.700 20 0 BCADLP CCO[C@H](C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1)C[NH+](C)C ZINC000925838760 635502566 /nfs/dbraw/zinc/50/25/66/635502566.db2.gz NVASNCJEOFBEJE-JHJVBQTASA-N 3 2 243.395 0.541 20 0 BCADLP c1ccc([C@H]2C[C@@H]([NH2+][C@@H]3CNOC3)CC[NH2+]2)cc1 ZINC000925860482 635553919 /nfs/dbraw/zinc/55/39/19/635553919.db2.gz RAQMBANDAKEEMP-BFHYXJOUSA-N 2 2 247.342 0.973 20 0 BCADLP C[N@H+](C[C@@H]([NH3+])CC(F)F)[C@@H]1CCOC1 ZINC000308463019 631300266 /nfs/dbraw/zinc/30/02/66/631300266.db2.gz GGQLMQOGJIHTFU-JGVFFNPUSA-N 2 2 208.252 0.690 20 0 BCADLP C[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@@H]1CCOC1 ZINC000308463019 631300271 /nfs/dbraw/zinc/30/02/71/631300271.db2.gz GGQLMQOGJIHTFU-JGVFFNPUSA-N 2 2 208.252 0.690 20 0 BCADLP CCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001022887027 632030603 /nfs/dbraw/zinc/03/06/03/632030603.db2.gz XAUBVUSTVOVQCE-AOOOYVTPSA-N 2 2 236.319 0.599 20 0 BCADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)cn2)C1 ZINC000309770550 632668883 /nfs/dbraw/zinc/66/88/83/632668883.db2.gz ONSFRSFHBJOCCZ-LLVKDONJSA-N 2 2 222.336 0.852 20 0 BCADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(C)cn2)C1 ZINC000309770550 632668885 /nfs/dbraw/zinc/66/88/85/632668885.db2.gz ONSFRSFHBJOCCZ-LLVKDONJSA-N 2 2 222.336 0.852 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000310258252 632711681 /nfs/dbraw/zinc/71/16/81/632711681.db2.gz PXNHAULTASIABV-SDDRHHMPSA-N 2 2 240.347 0.822 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000310258252 632711686 /nfs/dbraw/zinc/71/16/86/632711686.db2.gz PXNHAULTASIABV-SDDRHHMPSA-N 2 2 240.347 0.822 20 0 BCADLP CCOC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000310258252 632711690 /nfs/dbraw/zinc/71/16/90/632711690.db2.gz PXNHAULTASIABV-SDDRHHMPSA-N 2 2 240.347 0.822 20 0 BCADLP CCOC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000310258252 632711692 /nfs/dbraw/zinc/71/16/92/632711692.db2.gz PXNHAULTASIABV-SDDRHHMPSA-N 2 2 240.347 0.822 20 0 BCADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]CC(C)(C)[NH+](C)C ZINC000310415601 632738719 /nfs/dbraw/zinc/73/87/19/632738719.db2.gz JWONXPGTJHUMGD-MNOVXSKESA-N 2 2 241.379 0.973 20 0 BCADLP CC(C)NC(=[NH2+])NCCCn1cc[nH+]c1 ZINC000052041521 632781002 /nfs/dbraw/zinc/78/10/02/632781002.db2.gz ZUEAHDUGADPSCV-UHFFFAOYSA-N 2 2 209.297 0.796 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCOC[C@H](C)C1 ZINC000309215913 632819232 /nfs/dbraw/zinc/81/92/32/632819232.db2.gz FOBSWSNLPDNXNQ-VXGBXAGGSA-N 2 2 230.352 0.267 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCOC[C@H](C)C1 ZINC000309215913 632819233 /nfs/dbraw/zinc/81/92/33/632819233.db2.gz FOBSWSNLPDNXNQ-VXGBXAGGSA-N 2 2 230.352 0.267 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCOC[C@H](C)C1 ZINC000309215913 632819236 /nfs/dbraw/zinc/81/92/36/632819236.db2.gz FOBSWSNLPDNXNQ-VXGBXAGGSA-N 2 2 230.352 0.267 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCOC[C@H](C)C1 ZINC000309215913 632819237 /nfs/dbraw/zinc/81/92/37/632819237.db2.gz FOBSWSNLPDNXNQ-VXGBXAGGSA-N 2 2 230.352 0.267 20 0 BCADLP OCCOCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924568444 632901525 /nfs/dbraw/zinc/90/15/25/632901525.db2.gz CJRQEDREMZIJGN-QWHCGFSZSA-N 2 2 242.363 0.602 20 0 BCADLP OCCOCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924568444 632901533 /nfs/dbraw/zinc/90/15/33/632901533.db2.gz CJRQEDREMZIJGN-QWHCGFSZSA-N 2 2 242.363 0.602 20 0 BCADLP OCCOC1CC[NH+](C[C@@H]2CCC[NH2+]2)CC1 ZINC000236490284 632950633 /nfs/dbraw/zinc/95/06/33/632950633.db2.gz JNXYTRHAYWUFCT-NSHDSACASA-N 2 2 228.336 0.212 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928445670 635948882 /nfs/dbraw/zinc/94/88/82/635948882.db2.gz ZTFUNWMHMPQYJS-UWVGGRQHSA-N 2 2 236.319 0.469 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000928445670 635948884 /nfs/dbraw/zinc/94/88/84/635948884.db2.gz ZTFUNWMHMPQYJS-UWVGGRQHSA-N 2 2 236.319 0.469 20 0 BCADLP C[C@@H]1[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000928445453 635950031 /nfs/dbraw/zinc/95/00/31/635950031.db2.gz YLSCNTZACWUHPU-NXEZZACHSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@@H]1[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000928445453 635950033 /nfs/dbraw/zinc/95/00/33/635950033.db2.gz YLSCNTZACWUHPU-NXEZZACHSA-N 2 2 236.319 0.551 20 0 BCADLP C[NH+]1CCC(C[NH+]2CC3(C2)CNC(=O)O3)CC1 ZINC000894982230 636011075 /nfs/dbraw/zinc/01/10/75/636011075.db2.gz HWFAPUKQLAOOIR-UHFFFAOYSA-N 2 2 239.319 0.122 20 0 BCADLP C[N@@H+]1CC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000928556005 636094640 /nfs/dbraw/zinc/09/46/40/636094640.db2.gz MVDIIGIUNBDUPI-VIFPVBQESA-N 2 2 222.292 0.163 20 0 BCADLP C[N@H+]1CC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000928556005 636094644 /nfs/dbraw/zinc/09/46/44/636094644.db2.gz MVDIIGIUNBDUPI-VIFPVBQESA-N 2 2 222.292 0.163 20 0 BCADLP C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000928557014 636096454 /nfs/dbraw/zinc/09/64/54/636096454.db2.gz YFYLCJXOGNPPIB-GHMZBOCLSA-N 2 2 239.363 0.680 20 0 BCADLP C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000928557014 636096459 /nfs/dbraw/zinc/09/64/59/636096459.db2.gz YFYLCJXOGNPPIB-GHMZBOCLSA-N 2 2 239.363 0.680 20 0 BCADLP C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000928557014 636096462 /nfs/dbraw/zinc/09/64/62/636096462.db2.gz YFYLCJXOGNPPIB-GHMZBOCLSA-N 2 2 239.363 0.680 20 0 BCADLP C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000928557014 636096464 /nfs/dbraw/zinc/09/64/64/636096464.db2.gz YFYLCJXOGNPPIB-GHMZBOCLSA-N 2 2 239.363 0.680 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCO)C1 ZINC000328175230 633734423 /nfs/dbraw/zinc/73/44/23/633734423.db2.gz LBGKONCWLNKZHN-QWRGUYRKSA-N 2 2 200.326 0.831 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCO)C1 ZINC000328175230 633734431 /nfs/dbraw/zinc/73/44/31/633734431.db2.gz LBGKONCWLNKZHN-QWRGUYRKSA-N 2 2 200.326 0.831 20 0 BCADLP C[C@@H](CN1CCCC1=O)[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925506497 633841026 /nfs/dbraw/zinc/84/10/26/633841026.db2.gz RPTUXXMTAKCXCK-WDEREUQCSA-N 2 2 239.363 0.727 20 0 BCADLP CSCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925508057 633842059 /nfs/dbraw/zinc/84/20/59/633842059.db2.gz DGEKNGALDUXHPA-NXEZZACHSA-N 2 2 218.366 0.706 20 0 BCADLP C[S@@](=O)CCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000309294964 633882413 /nfs/dbraw/zinc/88/24/13/633882413.db2.gz WUFIDFJHUMIGJK-MRXNPFEDSA-N 2 2 244.404 0.971 20 0 BCADLP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000925561308 634043520 /nfs/dbraw/zinc/04/35/20/634043520.db2.gz QLDDHUWIXFDAMB-SDDRHHMPSA-N 2 2 239.363 0.727 20 0 BCADLP Cc1cc(NC(=O)CC[N@@H+](C)C[C@@H](C)[NH3+])no1 ZINC000310285028 634105664 /nfs/dbraw/zinc/10/56/64/634105664.db2.gz LYBSPLZJMSRSQU-MRVPVSSYSA-N 2 2 240.307 0.591 20 0 BCADLP Cc1cc(NC(=O)CC[N@H+](C)C[C@@H](C)[NH3+])no1 ZINC000310285028 634105670 /nfs/dbraw/zinc/10/56/70/634105670.db2.gz LYBSPLZJMSRSQU-MRVPVSSYSA-N 2 2 240.307 0.591 20 0 BCADLP COC[C@H](CCO)[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925614059 634154616 /nfs/dbraw/zinc/15/46/16/634154616.db2.gz WVQSVVXVYCUWLT-VHSXEESVSA-N 2 2 216.325 0.114 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H](O)C1CCOCC1 ZINC000925617998 634169297 /nfs/dbraw/zinc/16/92/97/634169297.db2.gz FDUXLCDBXLHVBZ-WCFLWFBJSA-N 2 2 242.363 0.504 20 0 BCADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CCOC2)CCO1 ZINC000925617940 634172689 /nfs/dbraw/zinc/17/26/89/634172689.db2.gz YAVKHLXQUNUQKC-XQQFMLRXSA-N 2 2 242.363 0.768 20 0 BCADLP FC1(F)CC(CC[NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925684128 634292738 /nfs/dbraw/zinc/29/27/38/634292738.db2.gz DBTHVDHRBMLCML-SNVBAGLBSA-N 2 2 234.290 1.000 20 0 BCADLP [NH3+][C@@H]1C[C@@H]([NH2+]C2CC[NH2+]CC2)C12CCC2 ZINC000925691855 634319197 /nfs/dbraw/zinc/31/91/97/634319197.db2.gz NFQQNBVVKWYRPA-GHMZBOCLSA-N 3 2 209.337 0.598 20 0 BCADLP [NH3+][C@H]1C[C@H]([NH2+]C2CC[NH2+]CC2)C12CCC2 ZINC000925691861 634320649 /nfs/dbraw/zinc/32/06/49/634320649.db2.gz NFQQNBVVKWYRPA-QWRGUYRKSA-N 3 2 209.337 0.598 20 0 BCADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C12CCC2 ZINC000925700044 634368297 /nfs/dbraw/zinc/36/82/97/634368297.db2.gz MXYWGICMAHLVLJ-UTUOFQBUSA-N 3 2 223.364 0.988 20 0 BCADLP CC1(C)CO[C@H](CC[NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925775456 635250489 /nfs/dbraw/zinc/25/04/89/635250489.db2.gz QLLZZXINEZXTBO-VXGBXAGGSA-N 2 2 242.363 0.770 20 0 BCADLP Cc1[nH]c(CNC(=O)[C@@H]2CCC[N@H+]2C)[nH+]c1C ZINC000896908163 636251290 /nfs/dbraw/zinc/25/12/90/636251290.db2.gz XJPPDVCVAWDWLP-JTQLQIEISA-N 2 2 236.319 0.737 20 0 BCADLP Cc1[nH]c(CNC(=O)[C@@H]2CCC[N@@H+]2C)[nH+]c1C ZINC000896908163 636251294 /nfs/dbraw/zinc/25/12/94/636251294.db2.gz XJPPDVCVAWDWLP-JTQLQIEISA-N 2 2 236.319 0.737 20 0 BCADLP CC[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000985168872 636258666 /nfs/dbraw/zinc/25/86/66/636258666.db2.gz ASHWNTRWNWBBHQ-XYPYZODXSA-N 2 2 236.319 0.387 20 0 BCADLP CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC000987266373 636645076 /nfs/dbraw/zinc/64/50/76/636645076.db2.gz JYCSDKGGTOPACY-UWVGGRQHSA-N 2 2 236.319 0.551 20 0 BCADLP CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000989857872 636886585 /nfs/dbraw/zinc/88/65/85/636886585.db2.gz UAXUUEAKRGIGTM-QWRGUYRKSA-N 2 2 236.319 0.482 20 0 BCADLP CON1CCC([NH2+]C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000924717062 637029003 /nfs/dbraw/zinc/02/90/03/637029003.db2.gz KTXYYMXLEOTZOJ-ZDUSSCGKSA-N 2 2 241.379 0.942 20 0 BCADLP CC[C@@H]1C[N@H+](Cc2ccn(C)n2)CC[C@H]1[NH3+] ZINC000251763992 637346361 /nfs/dbraw/zinc/34/63/61/637346361.db2.gz MBIPFPGZXWFXTD-ZYHUDNBSSA-N 2 2 222.336 0.979 20 0 BCADLP CC[C@@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@H]1[NH3+] ZINC000251763992 637346369 /nfs/dbraw/zinc/34/63/69/637346369.db2.gz MBIPFPGZXWFXTD-ZYHUDNBSSA-N 2 2 222.336 0.979 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000903461623 637362045 /nfs/dbraw/zinc/36/20/45/637362045.db2.gz WHFKYBWBHPLPQF-WISYIIOYSA-N 3 2 211.353 0.654 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000903461623 637362051 /nfs/dbraw/zinc/36/20/51/637362051.db2.gz WHFKYBWBHPLPQF-WISYIIOYSA-N 3 2 211.353 0.654 20 0 BCADLP C([C@H]1CCC[NH2+]1)[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000903461810 637362578 /nfs/dbraw/zinc/36/25/78/637362578.db2.gz YKQQYCBDJQIWCC-UTUOFQBUSA-N 2 2 242.388 0.945 20 0 BCADLP C([C@H]1CCC[NH2+]1)[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000903461810 637362582 /nfs/dbraw/zinc/36/25/82/637362582.db2.gz YKQQYCBDJQIWCC-UTUOFQBUSA-N 2 2 242.388 0.945 20 0 BCADLP CC1(C)C[N@H+](C[C@H]2CCc3ncnn32)C[C@@H]1[NH3+] ZINC000903559763 637368503 /nfs/dbraw/zinc/36/85/03/637368503.db2.gz GKCQDLZTBAOKKO-ZJUUUORDSA-N 2 2 235.335 0.435 20 0 BCADLP CC1(C)C[N@@H+](C[C@H]2CCc3ncnn32)C[C@@H]1[NH3+] ZINC000903559763 637368507 /nfs/dbraw/zinc/36/85/07/637368507.db2.gz GKCQDLZTBAOKKO-ZJUUUORDSA-N 2 2 235.335 0.435 20 0 BCADLP CC1(C)C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1[NH3+] ZINC000903559762 637369197 /nfs/dbraw/zinc/36/91/97/637369197.db2.gz GKCQDLZTBAOKKO-VHSXEESVSA-N 2 2 235.335 0.435 20 0 BCADLP CC1(C)C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1[NH3+] ZINC000903559762 637369203 /nfs/dbraw/zinc/36/92/03/637369203.db2.gz GKCQDLZTBAOKKO-VHSXEESVSA-N 2 2 235.335 0.435 20 0 BCADLP C(C[NH+]1CCOCC1)N1CCC[C@@]12CC[NH2+]C2 ZINC000903866550 637386035 /nfs/dbraw/zinc/38/60/35/637386035.db2.gz KPIZYSFWVGEJKV-ZDUSSCGKSA-N 2 2 239.363 0.147 20 0 BCADLP NC(=O)c1csc(C[NH2+]CC2([NH3+])CC2)c1 ZINC000904448551 637414833 /nfs/dbraw/zinc/41/48/33/637414833.db2.gz BCXXTJWQELIWJP-UHFFFAOYSA-N 2 2 225.317 0.428 20 0 BCADLP C1CC1[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000904476827 637428545 /nfs/dbraw/zinc/42/85/45/637428545.db2.gz RVPUGSJUIPTDPU-WOPDTQHZSA-N 2 2 210.321 0.753 20 0 BCADLP C[C@H]([NH2+]C1CC1)c1nc(C2([NH3+])CC2)no1 ZINC000905325752 637757067 /nfs/dbraw/zinc/75/70/67/637757067.db2.gz XPVBAUCKJAZTTD-LURJTMIESA-N 2 2 208.265 0.830 20 0 BCADLP CC(C)[C@@H]([NH3+])c1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905815504 637941377 /nfs/dbraw/zinc/94/13/77/637941377.db2.gz JDRVPMAZWQQRBT-GFCCVEGCSA-N 2 2 246.318 0.959 20 0 BCADLP CC(C)[NH2+]Cc1cn(Cc2ccc[nH+]c2N)nn1 ZINC000905813310 637942606 /nfs/dbraw/zinc/94/26/06/637942606.db2.gz PKEDVXHIMIKPGD-UHFFFAOYSA-N 2 2 246.318 0.802 20 0 BCADLP Nc1ccc(Cn2cc(CCCC[NH3+])nn2)c[nH+]1 ZINC000905815184 637942658 /nfs/dbraw/zinc/94/26/58/637942658.db2.gz HLVWVPBUVFVDAL-UHFFFAOYSA-N 2 2 246.318 0.585 20 0 BCADLP CC(C)[NH2+]Cc1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905817474 637943967 /nfs/dbraw/zinc/94/39/67/637943967.db2.gz PYJIZLAKEYYBSQ-UHFFFAOYSA-N 2 2 246.318 0.802 20 0 BCADLP COCC1C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000905971274 637985562 /nfs/dbraw/zinc/98/55/62/637985562.db2.gz MTBNUWNJJYJOOZ-LBPRGKRZSA-N 2 2 230.352 0.266 20 0 BCADLP COCC1C[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000905971274 637985567 /nfs/dbraw/zinc/98/55/67/637985567.db2.gz MTBNUWNJJYJOOZ-LBPRGKRZSA-N 2 2 230.352 0.266 20 0 BCADLP C[C@@H](N[C@@H]1CC[N@H+](C)C1)c1c[nH+]ccc1N ZINC000906498758 638174522 /nfs/dbraw/zinc/17/45/22/638174522.db2.gz DTFAWRRIOVOBQP-NXEZZACHSA-N 2 2 220.320 0.849 20 0 BCADLP C[C@@H](N[C@@H]1CC[N@@H+](C)C1)c1c[nH+]ccc1N ZINC000906498758 638174524 /nfs/dbraw/zinc/17/45/24/638174524.db2.gz DTFAWRRIOVOBQP-NXEZZACHSA-N 2 2 220.320 0.849 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CCN(C)C1)c1c[nH+]ccc1N ZINC000906498758 638174526 /nfs/dbraw/zinc/17/45/26/638174526.db2.gz DTFAWRRIOVOBQP-NXEZZACHSA-N 2 2 220.320 0.849 20 0 BCADLP [NH3+]C1CC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000906510410 638184031 /nfs/dbraw/zinc/18/40/31/638184031.db2.gz IBJBOIAAYDHPEH-RKJHCZSYSA-N 3 2 223.364 0.986 20 0 BCADLP [NH3+]C1CC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000906510403 638184147 /nfs/dbraw/zinc/18/41/47/638184147.db2.gz IBJBOIAAYDHPEH-FQLQODGNSA-N 3 2 223.364 0.986 20 0 BCADLP C[NH+](C)C1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000908014020 638549010 /nfs/dbraw/zinc/54/90/10/638549010.db2.gz ZFNDFWPXWLGZCX-UHFFFAOYSA-N 2 2 222.292 0.092 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000908288741 638634624 /nfs/dbraw/zinc/63/46/24/638634624.db2.gz XSGZMALQSVZTQB-SNVBAGLBSA-N 2 2 238.335 0.797 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000908288741 638634629 /nfs/dbraw/zinc/63/46/29/638634629.db2.gz XSGZMALQSVZTQB-SNVBAGLBSA-N 2 2 238.335 0.797 20 0 BCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH+](C)C ZINC000908346373 638660932 /nfs/dbraw/zinc/66/09/32/638660932.db2.gz LLGZRUDHROVZPY-SECBINFHSA-N 2 2 224.308 0.266 20 0 BCADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000908412759 638699265 /nfs/dbraw/zinc/69/92/65/638699265.db2.gz GPOACHBOPLUQFI-MWLCHTKSSA-N 2 2 236.319 0.503 20 0 BCADLP C[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC000911636376 639679703 /nfs/dbraw/zinc/67/97/03/639679703.db2.gz XAUHCKKKSCVTJM-RKDXNWHRSA-N 2 2 249.305 0.427 20 0 BCADLP C[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000911660943 639692697 /nfs/dbraw/zinc/69/26/97/639692697.db2.gz PQRVUOKASNYGAL-QWRGUYRKSA-N 2 2 248.330 0.266 20 0 BCADLP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000911660941 639692917 /nfs/dbraw/zinc/69/29/17/639692917.db2.gz PQRVUOKASNYGAL-GHMZBOCLSA-N 2 2 248.330 0.266 20 0 BCADLP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911674554 639714240 /nfs/dbraw/zinc/71/42/40/639714240.db2.gz UONNHXAVPCVZDU-GHMZBOCLSA-N 2 2 248.330 0.314 20 0 BCADLP C[NH2+]CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000911748069 639772906 /nfs/dbraw/zinc/77/29/06/639772906.db2.gz JGGMMIJLZYMMLE-UHFFFAOYSA-N 2 2 221.304 0.956 20 0 BCADLP [NH3+][C@H](CC(=O)NCC[C@H]1CC[NH2+]C1)C(F)F ZINC000911769949 639792894 /nfs/dbraw/zinc/79/28/94/639792894.db2.gz XKCDVWVYTIRGDA-HTQZYQBOSA-N 2 2 235.278 0.085 20 0 BCADLP [NH3+][C@@H](CC(=O)NCC[C@@H]1CC[NH2+]C1)C(F)F ZINC000911769953 639793362 /nfs/dbraw/zinc/79/33/62/639793362.db2.gz XKCDVWVYTIRGDA-YUMQZZPRSA-N 2 2 235.278 0.085 20 0 BCADLP [NH3+]CC1(NC(=O)C[C@H]([NH3+])C(F)F)CCCC1 ZINC000911798900 639821060 /nfs/dbraw/zinc/82/10/60/639821060.db2.gz CHFSNAANTIUULR-ZETCQYMHSA-N 2 2 235.278 0.357 20 0 BCADLP CC(C)[C@](C)(C[NH3+])NC(=O)C[C@@H]([NH3+])C(F)F ZINC000911832970 639843519 /nfs/dbraw/zinc/84/35/19/639843519.db2.gz QKJAQBCHTAVPQB-XCBNKYQSSA-N 2 2 237.294 0.459 20 0 BCADLP [NH3+]C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000911835942 639846730 /nfs/dbraw/zinc/84/67/30/639846730.db2.gz WNHSTRUSGNZJDL-CMPLNLGQSA-N 2 2 248.330 0.299 20 0 BCADLP [NH3+]C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000911835944 639847285 /nfs/dbraw/zinc/84/72/85/639847285.db2.gz WNHSTRUSGNZJDL-PWSUYJOCSA-N 2 2 248.330 0.299 20 0 BCADLP [NH3+]C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000911835943 639847534 /nfs/dbraw/zinc/84/75/34/639847534.db2.gz WNHSTRUSGNZJDL-JQWIXIFHSA-N 2 2 248.330 0.299 20 0 BCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](C)C1 ZINC000912306029 640023463 /nfs/dbraw/zinc/02/34/63/640023463.db2.gz FTAPONPWVFAGHS-LLVKDONJSA-N 2 2 236.319 0.505 20 0 BCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](C)C1 ZINC000912306029 640023469 /nfs/dbraw/zinc/02/34/69/640023469.db2.gz FTAPONPWVFAGHS-LLVKDONJSA-N 2 2 236.319 0.505 20 0 BCADLP C[C@H]1[C@@H]([NH+](C)C)CCN1CCn1cc[nH+]c1 ZINC000931040560 640035685 /nfs/dbraw/zinc/03/56/85/640035685.db2.gz FDBQMDAAFMNNOF-RYUDHWBXSA-N 2 2 222.336 0.908 20 0 BCADLP Cc1[nH]c(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)c(C)[nH+]1 ZINC000931053685 640041218 /nfs/dbraw/zinc/04/12/18/640041218.db2.gz BSASECVIWPDUNT-JQWIXIFHSA-N 2 2 239.319 0.344 20 0 BCADLP Cc1[nH]c(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)c(C)[nH+]1 ZINC000931053685 640041223 /nfs/dbraw/zinc/04/12/23/640041223.db2.gz BSASECVIWPDUNT-JQWIXIFHSA-N 2 2 239.319 0.344 20 0 BCADLP CC(C)OC(=O)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931276929 640123782 /nfs/dbraw/zinc/12/37/82/640123782.db2.gz LOIYYNWNZQGQTP-PJXYFTJBSA-N 2 2 240.347 0.820 20 0 BCADLP CC(C)OC(=O)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931276929 640123786 /nfs/dbraw/zinc/12/37/86/640123786.db2.gz LOIYYNWNZQGQTP-PJXYFTJBSA-N 2 2 240.347 0.820 20 0 BCADLP Cn1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1=O ZINC000931282203 640137009 /nfs/dbraw/zinc/13/70/09/640137009.db2.gz LYLYARWZGKNACO-IMRBUKKESA-N 2 2 247.342 0.377 20 0 BCADLP Cn1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1=O ZINC000931282203 640137017 /nfs/dbraw/zinc/13/70/17/640137017.db2.gz LYLYARWZGKNACO-IMRBUKKESA-N 2 2 247.342 0.377 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](Cc3cc[nH]c(=O)c3)C[C@H]21 ZINC000931281835 640137519 /nfs/dbraw/zinc/13/75/19/640137519.db2.gz XMKVISIKSBAKIV-PJXYFTJBSA-N 2 2 233.315 0.779 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](Cc3cc[nH]c(=O)c3)C[C@H]21 ZINC000931281835 640137525 /nfs/dbraw/zinc/13/75/25/640137525.db2.gz XMKVISIKSBAKIV-PJXYFTJBSA-N 2 2 233.315 0.779 20 0 BCADLP COCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931304705 640143102 /nfs/dbraw/zinc/14/31/02/640143102.db2.gz QAGMDIREFHMDRE-VXGBXAGGSA-N 2 2 212.337 0.906 20 0 BCADLP C[NH+]1C[C@]2(C)C[NH+]([C@@H]3CCNC3=O)C[C@@]2(C)C1 ZINC000931310748 640148579 /nfs/dbraw/zinc/14/85/79/640148579.db2.gz MUEYSTZJWCWKBG-RAIGVLPGSA-N 2 2 237.347 0.149 20 0 BCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)N2CCn1cc[nH+]c1 ZINC000931391470 640174086 /nfs/dbraw/zinc/17/40/86/640174086.db2.gz FWYUYKOWMXHYOT-TXEJJXNPSA-N 2 2 220.320 0.662 20 0 BCADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CCn1cc[nH+]c1 ZINC000931391470 640174091 /nfs/dbraw/zinc/17/40/91/640174091.db2.gz FWYUYKOWMXHYOT-TXEJJXNPSA-N 2 2 220.320 0.662 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ncccn3)C[C@@H]2C1 ZINC000931438123 640201548 /nfs/dbraw/zinc/20/15/48/640201548.db2.gz UNVJEWLHYBOUEQ-NEPJUHHUSA-N 2 2 232.331 0.860 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ncccn3)C[C@@H]2C1 ZINC000931438123 640201552 /nfs/dbraw/zinc/20/15/52/640201552.db2.gz UNVJEWLHYBOUEQ-NEPJUHHUSA-N 2 2 232.331 0.860 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ncccn3)C[C@@H]2C1 ZINC000931438123 640201555 /nfs/dbraw/zinc/20/15/55/640201555.db2.gz UNVJEWLHYBOUEQ-NEPJUHHUSA-N 2 2 232.331 0.860 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ncccn3)C[C@@H]2C1 ZINC000931438123 640201559 /nfs/dbraw/zinc/20/15/59/640201559.db2.gz UNVJEWLHYBOUEQ-NEPJUHHUSA-N 2 2 232.331 0.860 20 0 BCADLP CC(C)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[NH2+]1 ZINC000912767580 640202630 /nfs/dbraw/zinc/20/26/30/640202630.db2.gz MTZAGAKIDHNQOT-NSHDSACASA-N 2 2 236.319 0.409 20 0 BCADLP Nc1cc[nH+]c2c1C[N@H+](C[C@H]1COCCO1)CC2 ZINC000931520230 640248688 /nfs/dbraw/zinc/24/86/88/640248688.db2.gz YOCBQJGHTHZQGE-JTQLQIEISA-N 2 2 249.314 0.437 20 0 BCADLP Nc1cc[nH+]c2c1C[N@@H+](C[C@H]1COCCO1)CC2 ZINC000931520230 640248699 /nfs/dbraw/zinc/24/86/99/640248699.db2.gz YOCBQJGHTHZQGE-JTQLQIEISA-N 2 2 249.314 0.437 20 0 BCADLP C[NH+]1CCN(CCC[NH2+]Cc2c[nH]cn2)CC1 ZINC000054763586 640405993 /nfs/dbraw/zinc/40/59/93/640405993.db2.gz HNSMMLSJRDRVQP-UHFFFAOYSA-N 2 2 237.351 0.137 20 0 BCADLP c1cn(CCC[NH2+]Cc2cnccn2)c[nH+]1 ZINC000054765752 640408524 /nfs/dbraw/zinc/40/85/24/640408524.db2.gz MXGUPJAHRRWGRQ-UHFFFAOYSA-N 2 2 217.276 0.853 20 0 BCADLP CC[N@@H+](CCC(N)=O)CCn1cc[nH+]c1 ZINC000932478317 640546536 /nfs/dbraw/zinc/54/65/36/640546536.db2.gz ANSQFTWRQMRWAM-UHFFFAOYSA-N 2 2 210.281 0.080 20 0 BCADLP CC[N@H+](CCC(N)=O)CCn1cc[nH+]c1 ZINC000932478317 640546550 /nfs/dbraw/zinc/54/65/50/640546550.db2.gz ANSQFTWRQMRWAM-UHFFFAOYSA-N 2 2 210.281 0.080 20 0 BCADLP COC[C@H](C)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166086360 640612996 /nfs/dbraw/zinc/61/29/96/640612996.db2.gz DVZMOVQCEAIEPK-GARJFASQSA-N 2 2 216.325 0.378 20 0 BCADLP CCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001030155440 640638004 /nfs/dbraw/zinc/63/80/04/640638004.db2.gz OTWAAFOXQRURNP-NSHDSACASA-N 2 2 225.336 0.291 20 0 BCADLP CCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001030155440 640638006 /nfs/dbraw/zinc/63/80/06/640638006.db2.gz OTWAAFOXQRURNP-NSHDSACASA-N 2 2 225.336 0.291 20 0 BCADLP [NH3+]CCCCCCC(=O)NCCc1[nH]cc[nH+]1 ZINC000157254438 640652395 /nfs/dbraw/zinc/65/23/95/640652395.db2.gz KYSBGDNXOJSRGW-UHFFFAOYSA-N 2 2 238.335 0.978 20 0 BCADLP C[C@H]1CC[NH2+][C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000167367426 640712864 /nfs/dbraw/zinc/71/28/64/640712864.db2.gz ZOPBNIUPCFITLP-WDEREUQCSA-N 2 2 225.336 0.149 20 0 BCADLP CC(C)C[C@H](O)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000226071700 640724916 /nfs/dbraw/zinc/72/49/16/640724916.db2.gz NXOKYZARKXKIED-UPJWGTAASA-N 2 2 244.379 0.750 20 0 BCADLP CC[NH+]1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001030322132 640757494 /nfs/dbraw/zinc/75/74/94/640757494.db2.gz SUPATUJHCSPBLK-LBPRGKRZSA-N 2 2 237.347 0.149 20 0 BCADLP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCOC3=O)C[C@]2(C)C1 ZINC000933742774 640758477 /nfs/dbraw/zinc/75/84/77/640758477.db2.gz RUBYCHVRQVZTDM-SCVCMEIPSA-N 2 2 224.304 0.185 20 0 BCADLP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCOC3=O)C[C@]2(C)C1 ZINC000933742774 640758481 /nfs/dbraw/zinc/75/84/81/640758481.db2.gz RUBYCHVRQVZTDM-SCVCMEIPSA-N 2 2 224.304 0.185 20 0 BCADLP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCOC3=O)C[C@]2(C)C1 ZINC000933742774 640758486 /nfs/dbraw/zinc/75/84/86/640758486.db2.gz RUBYCHVRQVZTDM-SCVCMEIPSA-N 2 2 224.304 0.185 20 0 BCADLP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCOC3=O)C[C@]2(C)C1 ZINC000933742774 640758488 /nfs/dbraw/zinc/75/84/88/640758488.db2.gz RUBYCHVRQVZTDM-SCVCMEIPSA-N 2 2 224.304 0.185 20 0 BCADLP CC(=O)[C@](C)(O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933734518 640759385 /nfs/dbraw/zinc/75/93/85/640759385.db2.gz UYGGWFKZWJVKOB-FRRDWIJNSA-N 2 2 240.347 0.210 20 0 BCADLP CC(=O)[C@](C)(O)C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933734518 640759391 /nfs/dbraw/zinc/75/93/91/640759391.db2.gz UYGGWFKZWJVKOB-FRRDWIJNSA-N 2 2 240.347 0.210 20 0 BCADLP CC(=O)[C@](C)(O)C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933734518 640759393 /nfs/dbraw/zinc/75/93/93/640759393.db2.gz UYGGWFKZWJVKOB-FRRDWIJNSA-N 2 2 240.347 0.210 20 0 BCADLP CC(=O)[C@](C)(O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933734518 640759396 /nfs/dbraw/zinc/75/93/96/640759396.db2.gz UYGGWFKZWJVKOB-FRRDWIJNSA-N 2 2 240.347 0.210 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933748159 640763617 /nfs/dbraw/zinc/76/36/17/640763617.db2.gz QIXCTZYSJCWGKY-NTZNESFSSA-N 2 2 239.363 0.347 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933748159 640763619 /nfs/dbraw/zinc/76/36/19/640763619.db2.gz QIXCTZYSJCWGKY-NTZNESFSSA-N 2 2 239.363 0.347 20 0 BCADLP C[C@H](C(=O)N(C)C)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933748159 640763621 /nfs/dbraw/zinc/76/36/21/640763621.db2.gz QIXCTZYSJCWGKY-NTZNESFSSA-N 2 2 239.363 0.347 20 0 BCADLP C[C@H](C(=O)N(C)C)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933748159 640763622 /nfs/dbraw/zinc/76/36/22/640763622.db2.gz QIXCTZYSJCWGKY-NTZNESFSSA-N 2 2 239.363 0.347 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CC[C@@H]1[NH3+] ZINC000227070745 640814247 /nfs/dbraw/zinc/81/42/47/640814247.db2.gz GPHCXKKOGQUHEH-GJMOJQLCSA-N 2 2 226.242 0.579 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)CC[C@@H]1[NH3+] ZINC000227070745 640814256 /nfs/dbraw/zinc/81/42/56/640814256.db2.gz GPHCXKKOGQUHEH-GJMOJQLCSA-N 2 2 226.242 0.579 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000168938232 640833195 /nfs/dbraw/zinc/83/31/95/640833195.db2.gz UNBUIGDRYDGMFN-PRJMDXOYSA-N 2 2 226.242 0.721 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H](O)C(F)(F)F ZINC000168938232 640833196 /nfs/dbraw/zinc/83/31/96/640833196.db2.gz UNBUIGDRYDGMFN-PRJMDXOYSA-N 2 2 226.242 0.721 20 0 BCADLP C[NH2+]CCC[N@H+](C)[C@@H]1CCCCNC1=O ZINC000087472595 640898086 /nfs/dbraw/zinc/89/80/86/640898086.db2.gz LITXRMNPEQIKJN-SNVBAGLBSA-N 2 2 213.325 0.196 20 0 BCADLP C[NH2+]CCC[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000087472595 640898089 /nfs/dbraw/zinc/89/80/89/640898089.db2.gz LITXRMNPEQIKJN-SNVBAGLBSA-N 2 2 213.325 0.196 20 0 BCADLP CCOC(=O)/C=C/C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000087638875 640951106 /nfs/dbraw/zinc/95/11/06/640951106.db2.gz GBZVQMFMKBUMRG-VMDCKITASA-N 2 2 224.304 0.257 20 0 BCADLP CCOC(=O)/C=C/C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000087638875 640951107 /nfs/dbraw/zinc/95/11/07/640951107.db2.gz GBZVQMFMKBUMRG-VMDCKITASA-N 2 2 224.304 0.257 20 0 BCADLP COCC[N@H+](C)CCNC(=[NH2+])NC1CCCC1 ZINC000061399631 640959671 /nfs/dbraw/zinc/95/96/71/640959671.db2.gz MIFQPXWQBGLJBX-UHFFFAOYSA-N 2 2 242.367 0.621 20 0 BCADLP COCC[N@@H+](C)CCNC(=[NH2+])NC1CCCC1 ZINC000061399631 640959673 /nfs/dbraw/zinc/95/96/73/640959673.db2.gz MIFQPXWQBGLJBX-UHFFFAOYSA-N 2 2 242.367 0.621 20 0 BCADLP CO[C@H]1CC[C@H]1[N@H+](C)CCn1cc[nH+]c1 ZINC000934114654 641080404 /nfs/dbraw/zinc/08/04/04/641080404.db2.gz KWEMWPGSBSUMRG-MNOVXSKESA-N 2 2 209.293 0.992 20 0 BCADLP CO[C@H]1CC[C@H]1[N@@H+](C)CCn1cc[nH+]c1 ZINC000934114654 641080409 /nfs/dbraw/zinc/08/04/09/641080409.db2.gz KWEMWPGSBSUMRG-MNOVXSKESA-N 2 2 209.293 0.992 20 0 BCADLP CC[NH+]1CC(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001030684201 641206093 /nfs/dbraw/zinc/20/60/93/641206093.db2.gz PVOYNZKHPQQRAQ-UHFFFAOYSA-N 2 2 244.298 0.768 20 0 BCADLP Cc1c[nH+]cn1CC(=O)NC1C[NH+](CC2CC2)C1 ZINC001030684455 641208844 /nfs/dbraw/zinc/20/88/44/641208844.db2.gz CNETVOJIHHGQIZ-UHFFFAOYSA-N 2 2 248.330 0.402 20 0 BCADLP C[N@H+](CC[NH3+])C[C@H](O)CC1CCCC1 ZINC000232148426 641248524 /nfs/dbraw/zinc/24/85/24/641248524.db2.gz QXFUAYSARBIKGQ-LLVKDONJSA-N 2 2 200.326 0.818 20 0 BCADLP C[N@@H+](CC[NH3+])C[C@H](O)CC1CCCC1 ZINC000232148426 641248534 /nfs/dbraw/zinc/24/85/34/641248534.db2.gz QXFUAYSARBIKGQ-LLVKDONJSA-N 2 2 200.326 0.818 20 0 BCADLP [NH3+][C@@H]1CC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232148410 641249174 /nfs/dbraw/zinc/24/91/74/641249174.db2.gz OWSCWFCPDDQETC-NEPJUHHUSA-N 2 2 212.337 0.961 20 0 BCADLP [NH3+][C@@H]1CC[N@@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232148410 641249179 /nfs/dbraw/zinc/24/91/79/641249179.db2.gz OWSCWFCPDDQETC-NEPJUHHUSA-N 2 2 212.337 0.961 20 0 BCADLP [NH3+][C@H]1CC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000232148766 641249733 /nfs/dbraw/zinc/24/97/33/641249733.db2.gz OWSCWFCPDDQETC-NWDGAFQWSA-N 2 2 212.337 0.961 20 0 BCADLP [NH3+][C@H]1CC[N@@H+](C[C@H](O)CC2CCCC2)C1 ZINC000232148766 641249742 /nfs/dbraw/zinc/24/97/42/641249742.db2.gz OWSCWFCPDDQETC-NWDGAFQWSA-N 2 2 212.337 0.961 20 0 BCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC000913760941 641468174 /nfs/dbraw/zinc/46/81/74/641468174.db2.gz UJWGLDYEHQOEMF-PWSUYJOCSA-N 2 2 248.330 0.505 20 0 BCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC000913813847 641485812 /nfs/dbraw/zinc/48/58/12/641485812.db2.gz HUZLQOLFZUTHOG-NWDGAFQWSA-N 2 2 248.330 0.647 20 0 BCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC000913813847 641485817 /nfs/dbraw/zinc/48/58/17/641485817.db2.gz HUZLQOLFZUTHOG-NWDGAFQWSA-N 2 2 248.330 0.647 20 0 BCADLP c1csc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1 ZINC000043802397 641576145 /nfs/dbraw/zinc/57/61/45/641576145.db2.gz JSJUHRQTTVXKQX-VIFPVBQESA-N 2 2 212.318 0.826 20 0 BCADLP CCN(CC)C(=O)C[NH2+]C1CC[NH+](CC)CC1 ZINC000157823770 641625158 /nfs/dbraw/zinc/62/51/58/641625158.db2.gz KUKDIDUQMJUZND-UHFFFAOYSA-N 2 2 241.379 0.929 20 0 BCADLP CC[NH+]1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001031390505 642060235 /nfs/dbraw/zinc/06/02/35/642060235.db2.gz PJMNNUSFYMQMJS-UHFFFAOYSA-N 2 2 222.292 0.012 20 0 BCADLP C[N@H+](CC[NH3+])CCc1ccc2c(c1)OCO2 ZINC000077334164 642376869 /nfs/dbraw/zinc/37/68/69/642376869.db2.gz XHDWYJJWRFTENV-UHFFFAOYSA-N 2 2 222.288 0.848 20 0 BCADLP C[N@@H+](CC[NH3+])CCc1ccc2c(c1)OCO2 ZINC000077334164 642376875 /nfs/dbraw/zinc/37/68/75/642376875.db2.gz XHDWYJJWRFTENV-UHFFFAOYSA-N 2 2 222.288 0.848 20 0 BCADLP C[N@H+](C[C@@H]1C[NH2+]CCO1)CC(C)(C)C ZINC000045089665 642486802 /nfs/dbraw/zinc/48/68/02/642486802.db2.gz KLSFTOXEGUFULT-JTQLQIEISA-N 2 2 200.326 0.953 20 0 BCADLP C[N@@H+](C[C@@H]1C[NH2+]CCO1)CC(C)(C)C ZINC000045089665 642486816 /nfs/dbraw/zinc/48/68/16/642486816.db2.gz KLSFTOXEGUFULT-JTQLQIEISA-N 2 2 200.326 0.953 20 0 BCADLP C[N@H+](C[C@H]1C[NH2+]CCO1)CC(C)(C)C ZINC000045089666 642487499 /nfs/dbraw/zinc/48/74/99/642487499.db2.gz KLSFTOXEGUFULT-SNVBAGLBSA-N 2 2 200.326 0.953 20 0 BCADLP C[N@@H+](C[C@H]1C[NH2+]CCO1)CC(C)(C)C ZINC000045089666 642487503 /nfs/dbraw/zinc/48/75/03/642487503.db2.gz KLSFTOXEGUFULT-SNVBAGLBSA-N 2 2 200.326 0.953 20 0 BCADLP CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000968877073 642821338 /nfs/dbraw/zinc/82/13/38/642821338.db2.gz LKSGFEUBPGUVHJ-LLVKDONJSA-N 2 2 236.319 0.553 20 0 BCADLP CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000968877073 642821339 /nfs/dbraw/zinc/82/13/39/642821339.db2.gz LKSGFEUBPGUVHJ-LLVKDONJSA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001017998919 642984245 /nfs/dbraw/zinc/98/42/45/642984245.db2.gz RAKABQLKTXPWSZ-TXEJJXNPSA-N 2 2 248.330 0.647 20 0 BCADLP CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001017998919 642984249 /nfs/dbraw/zinc/98/42/49/642984249.db2.gz RAKABQLKTXPWSZ-TXEJJXNPSA-N 2 2 248.330 0.647 20 0 BCADLP C[N@H+](CC1OCCO1)C[C@@H]1CCC[NH+](C)C1 ZINC000182343148 642999651 /nfs/dbraw/zinc/99/96/51/642999651.db2.gz HKBSQJUECPKBQP-LLVKDONJSA-N 2 2 228.336 0.633 20 0 BCADLP C[N@@H+](CC1OCCO1)C[C@@H]1CCC[NH+](C)C1 ZINC000182343148 642999668 /nfs/dbraw/zinc/99/96/68/642999668.db2.gz HKBSQJUECPKBQP-LLVKDONJSA-N 2 2 228.336 0.633 20 0 BCADLP C[NH+](CC1OCCO1)C[C@@H]1CCC[N@H+](C)C1 ZINC000182343148 642999684 /nfs/dbraw/zinc/99/96/84/642999684.db2.gz HKBSQJUECPKBQP-LLVKDONJSA-N 2 2 228.336 0.633 20 0 BCADLP C[NH+](CC1OCCO1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000182343148 642999699 /nfs/dbraw/zinc/99/96/99/642999699.db2.gz HKBSQJUECPKBQP-LLVKDONJSA-N 2 2 228.336 0.633 20 0 BCADLP CCN(CC[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000070900149 643081673 /nfs/dbraw/zinc/08/16/73/643081673.db2.gz ACAZLOZDNZDGEY-LBPRGKRZSA-N 2 2 227.352 0.002 20 0 BCADLP CC(C)[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000970104911 643297621 /nfs/dbraw/zinc/29/76/21/643297621.db2.gz HYHRWFFYYGJCLD-SNVBAGLBSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](C)CCOCC(F)(F)F ZINC000082594922 643351214 /nfs/dbraw/zinc/35/12/14/643351214.db2.gz MBJUAVQUGSVQBI-SSDOTTSWSA-N 2 2 214.231 0.844 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](C)CCOCC(F)(F)F ZINC000082594922 643351219 /nfs/dbraw/zinc/35/12/19/643351219.db2.gz MBJUAVQUGSVQBI-SSDOTTSWSA-N 2 2 214.231 0.844 20 0 BCADLP C[N@H+](C[C@H](O)C(F)(F)F)C1CC[NH2+]CC1 ZINC000082681364 643367834 /nfs/dbraw/zinc/36/78/34/643367834.db2.gz PVJIDVCEXUPDJU-QMMMGPOBSA-N 2 2 226.242 0.593 20 0 BCADLP C[N@@H+](C[C@H](O)C(F)(F)F)C1CC[NH2+]CC1 ZINC000082681364 643367839 /nfs/dbraw/zinc/36/78/39/643367839.db2.gz PVJIDVCEXUPDJU-QMMMGPOBSA-N 2 2 226.242 0.593 20 0 BCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2)C1 ZINC000050247041 643662580 /nfs/dbraw/zinc/66/25/80/643662580.db2.gz IMJHUJUOJFQBBT-LLVKDONJSA-N 2 2 233.315 0.906 20 0 BCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC000050247041 643662582 /nfs/dbraw/zinc/66/25/82/643662582.db2.gz IMJHUJUOJFQBBT-LLVKDONJSA-N 2 2 233.315 0.906 20 0 BCADLP C[C@@H](C[NH2+]Cc1cc[nH]c(=O)c1)[NH+](C)C ZINC000921685926 643739721 /nfs/dbraw/zinc/73/97/21/643739721.db2.gz CCMHRXWVXIRPQA-VIFPVBQESA-N 2 2 209.293 0.827 20 0 BCADLP CC(C)COC[C@@H](O)C[N@@H+]1CCC[NH2+]CC1 ZINC000923277328 644308877 /nfs/dbraw/zinc/30/88/77/644308877.db2.gz DROKYAQVTAJXJA-LBPRGKRZSA-N 2 2 230.352 0.315 20 0 BCADLP CC(C)COC[C@@H](O)C[N@H+]1CCC[NH2+]CC1 ZINC000923277328 644308881 /nfs/dbraw/zinc/30/88/81/644308881.db2.gz DROKYAQVTAJXJA-LBPRGKRZSA-N 2 2 230.352 0.315 20 0 BCADLP CCC[N@H+](C[C@H](O)CSC)[C@H]1CC[NH2+]C1 ZINC000923283564 644309541 /nfs/dbraw/zinc/30/95/41/644309541.db2.gz BYUUMBZTURCCGG-QWRGUYRKSA-N 2 2 232.393 0.784 20 0 BCADLP CCC[N@@H+](C[C@H](O)CSC)[C@H]1CC[NH2+]C1 ZINC000923283564 644309548 /nfs/dbraw/zinc/30/95/48/644309548.db2.gz BYUUMBZTURCCGG-QWRGUYRKSA-N 2 2 232.393 0.784 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923282435 644317129 /nfs/dbraw/zinc/31/71/29/644317129.db2.gz WCHYQWWWHUARQO-RYUDHWBXSA-N 3 2 239.363 0.178 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923282435 644317133 /nfs/dbraw/zinc/31/71/33/644317133.db2.gz WCHYQWWWHUARQO-RYUDHWBXSA-N 3 2 239.363 0.178 20 0 BCADLP CC(C)OCC[C@H](O)C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000923283034 644317786 /nfs/dbraw/zinc/31/77/86/644317786.db2.gz WXWVBDGTLOBBLN-NEPJUHHUSA-N 2 2 230.352 0.586 20 0 BCADLP CC(C)OCC[C@H](O)C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000923283034 644317790 /nfs/dbraw/zinc/31/77/90/644317790.db2.gz WXWVBDGTLOBBLN-NEPJUHHUSA-N 2 2 230.352 0.586 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H](O)COCC(C)C ZINC000923294584 644332330 /nfs/dbraw/zinc/33/23/30/644332330.db2.gz KDCDSMFVGVSYGD-OLZOCXBDSA-N 2 2 244.379 0.704 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H](O)COCC(C)C ZINC000923294584 644332332 /nfs/dbraw/zinc/33/23/32/644332332.db2.gz KDCDSMFVGVSYGD-OLZOCXBDSA-N 2 2 244.379 0.704 20 0 BCADLP [NH3+]CC(C[NH3+])NCCCCC1CCOCC1 ZINC000923359017 644366911 /nfs/dbraw/zinc/36/69/11/644366911.db2.gz IZJOJIAZIDQGPE-UHFFFAOYSA-N 2 2 229.368 0.459 20 0 BCADLP COc1c(C)c[nH+]c(CNC(C[NH3+])C[NH3+])c1C ZINC000923353838 644370145 /nfs/dbraw/zinc/37/01/45/644370145.db2.gz CFJTYSWTYZWESC-UHFFFAOYSA-N 3 2 238.335 0.083 20 0 BCADLP CCOCC[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000923367075 644377596 /nfs/dbraw/zinc/37/75/96/644377596.db2.gz ROAFBTPYROMYQK-VWYCJHECSA-N 2 2 216.325 0.053 20 0 BCADLP CCOCC[C@H](O)C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000923367075 644377601 /nfs/dbraw/zinc/37/76/01/644377601.db2.gz ROAFBTPYROMYQK-VWYCJHECSA-N 2 2 216.325 0.053 20 0 BCADLP CCOCC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923367866 644377939 /nfs/dbraw/zinc/37/79/39/644377939.db2.gz JWTCLHRWOOBLDA-DCAQKATOSA-N 2 2 216.325 0.195 20 0 BCADLP CCOCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923367866 644377942 /nfs/dbraw/zinc/37/79/42/644377942.db2.gz JWTCLHRWOOBLDA-DCAQKATOSA-N 2 2 216.325 0.195 20 0 BCADLP CCC[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000923368096 644380355 /nfs/dbraw/zinc/38/03/55/644380355.db2.gz LBMQXIYTUDBUEB-UHFFFAOYSA-N 2 2 249.362 0.971 20 0 BCADLP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923368745 644380731 /nfs/dbraw/zinc/38/07/31/644380731.db2.gz SIYMYDGVUZIGIB-SRVKXCTJSA-N 2 2 230.352 0.584 20 0 BCADLP CC(C)OCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923368745 644380735 /nfs/dbraw/zinc/38/07/35/644380735.db2.gz SIYMYDGVUZIGIB-SRVKXCTJSA-N 2 2 230.352 0.584 20 0 BCADLP CCOCC[C@@H](O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000923360533 644384421 /nfs/dbraw/zinc/38/44/21/644384421.db2.gz JLFBXRPLFGBEDW-UTUOFQBUSA-N 2 2 228.336 0.068 20 0 BCADLP CCOCC[C@@H](O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000923360533 644384426 /nfs/dbraw/zinc/38/44/26/644384426.db2.gz JLFBXRPLFGBEDW-UTUOFQBUSA-N 2 2 228.336 0.068 20 0 BCADLP CC(C)COC[C@@H](O)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000923390047 644397117 /nfs/dbraw/zinc/39/71/17/644397117.db2.gz FCEDAHJRRJMART-CPCZMJQVSA-N 2 2 242.363 0.443 20 0 BCADLP CC(C)COC[C@@H](O)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000923390047 644397124 /nfs/dbraw/zinc/39/71/24/644397124.db2.gz FCEDAHJRRJMART-CPCZMJQVSA-N 2 2 242.363 0.443 20 0 BCADLP CSC[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923399370 644404880 /nfs/dbraw/zinc/40/48/80/644404880.db2.gz OVCZTZOMVDLTLM-ZJUUUORDSA-N 2 2 230.377 0.585 20 0 BCADLP CSC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923399367 644405082 /nfs/dbraw/zinc/40/50/82/644405082.db2.gz OVCZTZOMVDLTLM-UWVGGRQHSA-N 2 2 230.377 0.585 20 0 BCADLP CCOCCOCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000923398322 644405126 /nfs/dbraw/zinc/40/51/26/644405126.db2.gz KQEJMVDAMGYULU-STQMWFEESA-N 2 2 242.363 0.853 20 0 BCADLP CCOCCOCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000923398322 644405128 /nfs/dbraw/zinc/40/51/28/644405128.db2.gz KQEJMVDAMGYULU-STQMWFEESA-N 2 2 242.363 0.853 20 0 BCADLP CCOCCOCC[N@H+](C)C[C@H](C)[NH3+] ZINC000923410305 644412371 /nfs/dbraw/zinc/41/23/71/644412371.db2.gz XGVKEEGJNLUQNE-JTQLQIEISA-N 2 2 204.314 0.319 20 0 BCADLP CCOCCOCC[N@@H+](C)C[C@H](C)[NH3+] ZINC000923410305 644412375 /nfs/dbraw/zinc/41/23/75/644412375.db2.gz XGVKEEGJNLUQNE-JTQLQIEISA-N 2 2 204.314 0.319 20 0 BCADLP CCOCC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000923412691 644413324 /nfs/dbraw/zinc/41/33/24/644413324.db2.gz KVQVTTNQJGJOJH-DCAQKATOSA-N 2 2 216.325 0.195 20 0 BCADLP CCOCC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000923412691 644413326 /nfs/dbraw/zinc/41/33/26/644413326.db2.gz KVQVTTNQJGJOJH-DCAQKATOSA-N 2 2 216.325 0.195 20 0 BCADLP CC(C)OCC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000923412138 644413931 /nfs/dbraw/zinc/41/39/31/644413931.db2.gz HCJGDCCOGJLWSX-UTUOFQBUSA-N 2 2 230.352 0.584 20 0 BCADLP CC(C)OCC[C@H](O)C[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000923412138 644413934 /nfs/dbraw/zinc/41/39/34/644413934.db2.gz HCJGDCCOGJLWSX-UTUOFQBUSA-N 2 2 230.352 0.584 20 0 BCADLP CCOCC[C@H](O)C[N@@H+]1CCCC[C@@H]1C[NH2+]C ZINC000923423266 644419754 /nfs/dbraw/zinc/41/97/54/644419754.db2.gz KQLRSMDLLCTBKH-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP CCOCC[C@H](O)C[N@H+]1CCCC[C@@H]1C[NH2+]C ZINC000923423266 644419755 /nfs/dbraw/zinc/41/97/55/644419755.db2.gz KQLRSMDLLCTBKH-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP CC[N@H+](C[C@H](O)CCOC(C)C)[C@@H]1CC[NH2+]C1 ZINC000923424162 644420637 /nfs/dbraw/zinc/42/06/37/644420637.db2.gz DIFNNGCXPLTTNA-CHWSQXEVSA-N 2 2 244.379 0.846 20 0 BCADLP CC[N@@H+](C[C@H](O)CCOC(C)C)[C@@H]1CC[NH2+]C1 ZINC000923424162 644420638 /nfs/dbraw/zinc/42/06/38/644420638.db2.gz DIFNNGCXPLTTNA-CHWSQXEVSA-N 2 2 244.379 0.846 20 0 BCADLP CCOCC[C@@H](O)C[N@H+](CC[NH2+]C)C(C)C ZINC000923432923 644426555 /nfs/dbraw/zinc/42/65/55/644426555.db2.gz LIIYKQVQBLDHGW-GFCCVEGCSA-N 2 2 232.368 0.704 20 0 BCADLP CCOCC[C@@H](O)C[N@@H+](CC[NH2+]C)C(C)C ZINC000923432923 644426558 /nfs/dbraw/zinc/42/65/58/644426558.db2.gz LIIYKQVQBLDHGW-GFCCVEGCSA-N 2 2 232.368 0.704 20 0 BCADLP CCO[C@H](C[N@@H+]1CCNCC[NH2+]CC1)C1CC1 ZINC000923459757 644434496 /nfs/dbraw/zinc/43/44/96/644434496.db2.gz FPQVPTFQTSJODX-CYBMUJFWSA-N 2 2 241.379 0.296 20 0 BCADLP CCC(CC)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460004 644444062 /nfs/dbraw/zinc/44/40/62/644444062.db2.gz JVOBXMIIMKMTBS-UHFFFAOYSA-N 2 2 213.369 0.917 20 0 BCADLP [NH3+][C@]1(CO)CCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000923470819 644449006 /nfs/dbraw/zinc/44/90/06/644449006.db2.gz BMNPWDULVIMRIJ-VXGBXAGGSA-N 2 2 228.336 0.341 20 0 BCADLP [NH3+][C@]1(CO)CCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000923470819 644449009 /nfs/dbraw/zinc/44/90/09/644449009.db2.gz BMNPWDULVIMRIJ-VXGBXAGGSA-N 2 2 228.336 0.341 20 0 BCADLP CC(C)CC[C@@H](O)C[N@@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923469602 644451065 /nfs/dbraw/zinc/45/10/65/644451065.db2.gz BBWNVBNZJGOAIH-OLZOCXBDSA-N 2 2 244.379 0.569 20 0 BCADLP CC(C)CC[C@@H](O)C[N@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923469602 644451070 /nfs/dbraw/zinc/45/10/70/644451070.db2.gz BBWNVBNZJGOAIH-OLZOCXBDSA-N 2 2 244.379 0.569 20 0 BCADLP Nc1cccc(C[N@@H+]2CCC[C@@]([NH3+])(CO)C2)c1 ZINC000923473132 644456125 /nfs/dbraw/zinc/45/61/25/644456125.db2.gz QFWNHDHMJRUAMV-ZDUSSCGKSA-N 2 2 235.331 0.554 20 0 BCADLP Nc1cccc(C[N@H+]2CCC[C@@]([NH3+])(CO)C2)c1 ZINC000923473132 644456128 /nfs/dbraw/zinc/45/61/28/644456128.db2.gz QFWNHDHMJRUAMV-ZDUSSCGKSA-N 2 2 235.331 0.554 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515064 644477974 /nfs/dbraw/zinc/47/79/74/644477974.db2.gz BSPGUMGMQQGQLK-QWHCGFSZSA-N 3 2 248.374 0.894 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515064 644477979 /nfs/dbraw/zinc/47/79/79/644477979.db2.gz BSPGUMGMQQGQLK-QWHCGFSZSA-N 3 2 248.374 0.894 20 0 BCADLP COC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923529569 644484551 /nfs/dbraw/zinc/48/45/51/644484551.db2.gz AJHXRVOTIAARKK-NWDGAFQWSA-N 2 2 228.336 0.212 20 0 BCADLP COC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923529569 644484563 /nfs/dbraw/zinc/48/45/63/644484563.db2.gz AJHXRVOTIAARKK-NWDGAFQWSA-N 2 2 228.336 0.212 20 0 BCADLP COC[C@@H](C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2)OC ZINC000923533705 644490807 /nfs/dbraw/zinc/49/08/07/644490807.db2.gz NPUCLBRLMKQZRO-CHWSQXEVSA-N 2 2 242.363 0.866 20 0 BCADLP COC[C@@H](C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)OC ZINC000923533705 644490809 /nfs/dbraw/zinc/49/08/09/644490809.db2.gz NPUCLBRLMKQZRO-CHWSQXEVSA-N 2 2 242.363 0.866 20 0 BCADLP CCn1cnc2c1CC[N@H+](CCC[NH3+])C2 ZINC000923557000 644499923 /nfs/dbraw/zinc/49/99/23/644499923.db2.gz IRKJLGDBDNRBKF-UHFFFAOYSA-N 2 2 208.309 0.610 20 0 BCADLP CCn1cnc2c1CC[N@@H+](CCC[NH3+])C2 ZINC000923557000 644499925 /nfs/dbraw/zinc/49/99/25/644499925.db2.gz IRKJLGDBDNRBKF-UHFFFAOYSA-N 2 2 208.309 0.610 20 0 BCADLP C[N@H+](CC1C[NH+](C)C1)C[C@H]1CCCOC1 ZINC000827125692 645073854 /nfs/dbraw/zinc/07/38/54/645073854.db2.gz OVMULIMWAHOGQI-LLVKDONJSA-N 2 2 212.337 0.906 20 0 BCADLP C[N@@H+](CC1C[NH+](C)C1)C[C@H]1CCCOC1 ZINC000827125692 645073859 /nfs/dbraw/zinc/07/38/59/645073859.db2.gz OVMULIMWAHOGQI-LLVKDONJSA-N 2 2 212.337 0.906 20 0 BCADLP CC(C)[C@H](C[NH+](C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000827531831 645081000 /nfs/dbraw/zinc/08/10/00/645081000.db2.gz DYLWHCVPRIHGMO-JTQLQIEISA-N 2 2 238.335 0.655 20 0 BCADLP C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+]1C ZINC000928430495 645746906 /nfs/dbraw/zinc/74/69/06/645746906.db2.gz XTVHPTWWEXUBIV-GWOFURMSSA-N 2 2 248.330 0.722 20 0 BCADLP C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+]1C ZINC000928430495 645746911 /nfs/dbraw/zinc/74/69/11/645746911.db2.gz XTVHPTWWEXUBIV-GWOFURMSSA-N 2 2 248.330 0.722 20 0 BCADLP C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000928430495 645746918 /nfs/dbraw/zinc/74/69/18/645746918.db2.gz XTVHPTWWEXUBIV-GWOFURMSSA-N 2 2 248.330 0.722 20 0 BCADLP C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@H+]1C ZINC000928430495 645746925 /nfs/dbraw/zinc/74/69/25/645746925.db2.gz XTVHPTWWEXUBIV-GWOFURMSSA-N 2 2 248.330 0.722 20 0 BCADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1C ZINC000928443011 645767233 /nfs/dbraw/zinc/76/72/33/645767233.db2.gz SBWTXWWABMMOTM-KOLCDFICSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1C ZINC000928443011 645767241 /nfs/dbraw/zinc/76/72/41/645767241.db2.gz SBWTXWWABMMOTM-KOLCDFICSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000928443011 645767245 /nfs/dbraw/zinc/76/72/45/645767245.db2.gz SBWTXWWABMMOTM-KOLCDFICSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000928443011 645767252 /nfs/dbraw/zinc/76/72/52/645767252.db2.gz SBWTXWWABMMOTM-KOLCDFICSA-N 2 2 236.319 0.551 20 0 BCADLP Cc1[nH]c(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c(C)[nH+]1 ZINC000930328594 645952387 /nfs/dbraw/zinc/95/23/87/645952387.db2.gz VCEMHKOOFOASJR-CPCISQLKSA-N 2 2 236.319 0.641 20 0 BCADLP CC[C@H](C)[C@H](C(=O)OC)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000929312877 646074458 /nfs/dbraw/zinc/07/44/58/646074458.db2.gz NVHFYTCNQAJVMQ-FIQHERPVSA-N 2 2 240.347 0.725 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cnnn1C ZINC000924650862 646087133 /nfs/dbraw/zinc/08/71/33/646087133.db2.gz ZFNBTEDKYPNBEF-ZJUUUORDSA-N 2 2 234.307 0.751 20 0 BCADLP c1ncn(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000924825343 646111991 /nfs/dbraw/zinc/11/19/91/646111991.db2.gz QLDSJNCEFHSWBP-STQMWFEESA-N 2 2 249.362 0.885 20 0 BCADLP c1ncn(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000924825343 646111993 /nfs/dbraw/zinc/11/19/93/646111993.db2.gz QLDSJNCEFHSWBP-STQMWFEESA-N 2 2 249.362 0.885 20 0 BCADLP CON1CC[C@H]([N@@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000929638039 646216459 /nfs/dbraw/zinc/21/64/59/646216459.db2.gz ULHRLIJJPUHQNK-MNOVXSKESA-N 2 2 241.335 0.032 20 0 BCADLP CON1CC[C@H]([N@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000929638039 646216465 /nfs/dbraw/zinc/21/64/65/646216465.db2.gz ULHRLIJJPUHQNK-MNOVXSKESA-N 2 2 241.335 0.032 20 0 BCADLP CCOCCCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925483009 646294073 /nfs/dbraw/zinc/29/40/73/646294073.db2.gz ZETCNLUMNMDYES-LLVKDONJSA-N 2 2 216.325 0.381 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC000925497805 646302500 /nfs/dbraw/zinc/30/25/00/646302500.db2.gz KEIPZAYKVQXNPT-XQQFMLRXSA-N 2 2 242.363 0.912 20 0 BCADLP CC[NH+]1CCC([N@H+](C)C[C@@H]2COCCO2)CC1 ZINC000929778621 646306268 /nfs/dbraw/zinc/30/62/68/646306268.db2.gz JOINXUOYFQVWFK-CYBMUJFWSA-N 2 2 242.363 0.818 20 0 BCADLP CC[NH+]1CCC([N@@H+](C)C[C@@H]2COCCO2)CC1 ZINC000929778621 646306274 /nfs/dbraw/zinc/30/62/74/646306274.db2.gz JOINXUOYFQVWFK-CYBMUJFWSA-N 2 2 242.363 0.818 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000925520767 646312012 /nfs/dbraw/zinc/31/20/12/646312012.db2.gz YBOFSZWOFWEKHD-MVWJERBFSA-N 2 2 238.335 0.184 20 0 BCADLP CS[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925524812 646315364 /nfs/dbraw/zinc/31/53/64/646315364.db2.gz ZWVWSLYBKUCBDY-GARJFASQSA-N 2 2 230.377 0.849 20 0 BCADLP CCC1(C[NH2+][C@@H]2C[NH2+]CCOC2)CCOCC1 ZINC000925526666 646317405 /nfs/dbraw/zinc/31/74/05/646317405.db2.gz JQDNWASNWRLTJJ-GFCCVEGCSA-N 2 2 242.363 0.771 20 0 BCADLP C[C@@]1(C[NH2+][C@@H]2C[NH2+]CCOC2)CCCS1 ZINC000925553798 646331518 /nfs/dbraw/zinc/33/15/18/646331518.db2.gz VXUBXFCWAZKSRX-MNOVXSKESA-N 2 2 230.377 0.850 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCNc1cnccn1 ZINC000925555723 646331627 /nfs/dbraw/zinc/33/16/27/646331627.db2.gz ITHDAOYJGCGADS-GHMZBOCLSA-N 2 2 235.335 0.619 20 0 BCADLP CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925561608 646335451 /nfs/dbraw/zinc/33/54/51/646335451.db2.gz RAEIMMKBQDDUKM-GHMZBOCLSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCn1cncn1)c1ccccc1 ZINC000925588849 646348069 /nfs/dbraw/zinc/34/80/69/646348069.db2.gz AMPRVFWHEHQIFK-DGCLKSJQSA-N 2 2 245.330 0.956 20 0 BCADLP COC[C@H](CCO)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925611341 646359190 /nfs/dbraw/zinc/35/91/90/646359190.db2.gz LIABOYCTVIPXNO-WDEREUQCSA-N 2 2 228.336 0.258 20 0 BCADLP C[C@@H]1C[C@@H](C[NH2+][C@@H]2C[NH2+]CCOC2)CCO1 ZINC000925613486 646362738 /nfs/dbraw/zinc/36/27/38/646362738.db2.gz DNVSYNCQNRVYHF-GRYCIOLGSA-N 2 2 228.336 0.380 20 0 BCADLP C[NH+]1CCC(C)(C[NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925631822 646376644 /nfs/dbraw/zinc/37/66/44/646376644.db2.gz LFUFFJVXMWCJHI-GFCCVEGCSA-N 3 2 241.379 0.296 20 0 BCADLP CC(C)OCCCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925635609 646380061 /nfs/dbraw/zinc/38/00/61/646380061.db2.gz STPNJTNUFFRYIT-GFCCVEGCSA-N 2 2 230.352 0.770 20 0 BCADLP COCCC(C)(C)C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925640195 646383364 /nfs/dbraw/zinc/38/33/64/646383364.db2.gz QZIXKLCMUSVDCK-NSHDSACASA-N 2 2 230.352 0.627 20 0 BCADLP C([NH2+][C@@H]1C[NH2+]CCOC1)[C@H]1CCSC1 ZINC000925651893 646391707 /nfs/dbraw/zinc/39/17/07/646391707.db2.gz BTCGKJSNWASSEG-NXEZZACHSA-N 2 2 216.350 0.318 20 0 BCADLP OC[C@H](CC(F)F)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925651621 646392358 /nfs/dbraw/zinc/39/23/58/646392358.db2.gz HOKWBHYKYSJBCP-DTWKUNHWSA-N 2 2 234.290 0.877 20 0 BCADLP C([NH2+][C@H]1C[NH2+]CCOC1)[C@H]1CCSC1 ZINC000925652065 646392650 /nfs/dbraw/zinc/39/26/50/646392650.db2.gz BTCGKJSNWASSEG-ZJUUUORDSA-N 2 2 216.350 0.318 20 0 BCADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CCOC1)C(C)(C)O ZINC000925677267 646400018 /nfs/dbraw/zinc/40/00/18/646400018.db2.gz WVPNYBZSXHZGMV-ZJUUUORDSA-N 2 2 216.325 0.114 20 0 BCADLP CCOCC(C)(C)C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925669139 646400358 /nfs/dbraw/zinc/40/03/58/646400358.db2.gz PRFVYYQOYXOFPC-LLVKDONJSA-N 2 2 230.352 0.627 20 0 BCADLP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925669828 646401258 /nfs/dbraw/zinc/40/12/58/646401258.db2.gz FTZAVASFGYDNTB-IJLUTSLNSA-N 2 2 228.336 0.237 20 0 BCADLP C([NH2+][C@@H]1C[NH2+]CCOC1)[C@H]1CCCSC1 ZINC000925673727 646402118 /nfs/dbraw/zinc/40/21/18/646402118.db2.gz PFFFEBKFCWOCFN-GHMZBOCLSA-N 2 2 230.377 0.708 20 0 BCADLP CC[C@H]([NH2+][C@H]1C[NH2+]CCOC1)C(C)(C)O ZINC000925677265 646405378 /nfs/dbraw/zinc/40/53/78/646405378.db2.gz WVPNYBZSXHZGMV-UWVGGRQHSA-N 2 2 216.325 0.114 20 0 BCADLP CCC[C@H](CCO)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925724776 646450211 /nfs/dbraw/zinc/45/02/11/646450211.db2.gz MUSQBGDWIASPQF-GHMZBOCLSA-N 2 2 216.325 0.116 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000925719027 646443726 /nfs/dbraw/zinc/44/37/26/646443726.db2.gz PWGYQVRGVHXNSE-GHMZBOCLSA-N 3 2 215.341 0.082 20 0 BCADLP CN1CCOC[C@H]1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925719343 646444260 /nfs/dbraw/zinc/44/42/60/646444260.db2.gz RYDMBCDGSLETKJ-NEPJUHHUSA-N 2 2 239.363 0.191 20 0 BCADLP CN1CCOC[C@H]1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925719346 646444550 /nfs/dbraw/zinc/44/45/50/646444550.db2.gz RYDMBCDGSLETKJ-VXGBXAGGSA-N 2 2 239.363 0.191 20 0 BCADLP C(C[C@@H]1CCCOC1)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925720384 646444594 /nfs/dbraw/zinc/44/45/94/646444594.db2.gz HAGNLRHKVYCBBL-RYUDHWBXSA-N 2 2 228.336 0.381 20 0 BCADLP C(C[C@H]1CCCOC1)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925720380 646444820 /nfs/dbraw/zinc/44/48/20/646444820.db2.gz HAGNLRHKVYCBBL-NEPJUHHUSA-N 2 2 228.336 0.381 20 0 BCADLP C(C[C@@H]1CCCS1)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925723462 646448113 /nfs/dbraw/zinc/44/81/13/646448113.db2.gz VXOVCTHCOPVQEW-MNOVXSKESA-N 2 2 230.377 0.850 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCN(C)CC(F)F ZINC000925724316 646449621 /nfs/dbraw/zinc/44/96/21/646449621.db2.gz IZZSFNCDGFHYKV-ZJUUUORDSA-N 2 2 235.322 0.913 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000925771973 646473867 /nfs/dbraw/zinc/47/38/67/646473867.db2.gz OPQUFSXKDVWLLU-XWLWVQCSSA-N 2 2 246.376 0.150 20 0 BCADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925783015 646478979 /nfs/dbraw/zinc/47/89/79/646478979.db2.gz ATOBOXHFEAVHHA-GRYCIOLGSA-N 2 2 241.379 0.831 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816871 646492862 /nfs/dbraw/zinc/49/28/62/646492862.db2.gz KKTKGEPXFCFNQF-DGCLKSJQSA-N 3 2 240.395 0.140 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000925873490 646523540 /nfs/dbraw/zinc/52/35/40/646523540.db2.gz APVMCEAXQKPSKT-IJLUTSLNSA-N 2 2 228.336 0.380 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000925873494 646524064 /nfs/dbraw/zinc/52/40/64/646524064.db2.gz APVMCEAXQKPSKT-WOPDTQHZSA-N 2 2 228.336 0.380 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H](O)c1ccnn1C ZINC000925890457 646534213 /nfs/dbraw/zinc/53/42/13/646534213.db2.gz PMWBJSSQIYMMHO-HOSYDEDBSA-N 2 2 238.335 0.184 20 0 BCADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CN3C[C@@H]1CCC3)CC2 ZINC000926228318 646599647 /nfs/dbraw/zinc/59/96/47/646599647.db2.gz GNUCGJAWBNJPSV-XQQFMLRXSA-N 2 2 246.358 0.882 20 0 BCADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CN3C[C@@H]1CCC3)CC2 ZINC000926228313 646600523 /nfs/dbraw/zinc/60/05/23/646600523.db2.gz GNUCGJAWBNJPSV-AVGNSLFASA-N 2 2 246.358 0.882 20 0 BCADLP C[NH2+]C1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000724915296 711627424 /nfs/dbraw/zinc/62/74/24/711627424.db2.gz PPKJHMMQFQKDAD-GFCCVEGCSA-N 2 2 228.336 0.476 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCn1ccnc1 ZINC000396716364 711703394 /nfs/dbraw/zinc/70/33/94/711703394.db2.gz RHGZHYFMKIISSG-MNOVXSKESA-N 2 2 208.309 0.613 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1COCCN1C ZINC000700176850 711987470 /nfs/dbraw/zinc/98/74/70/711987470.db2.gz OMRDJFDCQBAIFA-SDDRHHMPSA-N 2 2 227.352 0.047 20 0 BCADLP Cn1c[nH+]c(CCNC2=[NH+]CCCCN2)c1 ZINC000700235385 711988261 /nfs/dbraw/zinc/98/82/61/711988261.db2.gz JTKPQWHEJWOMGZ-UHFFFAOYSA-N 2 2 221.308 0.292 20 0 BCADLP C1CC1[NH+]1CCC([NH2+][C@H]2CNOC2)CC1 ZINC000703313492 712072167 /nfs/dbraw/zinc/07/21/67/712072167.db2.gz PCMBHLXYVKWBLE-JTQLQIEISA-N 2 2 211.309 0.106 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H](O)C(F)(F)F)C2 ZINC000703539168 712077985 /nfs/dbraw/zinc/07/79/85/712077985.db2.gz ZRANMYBBKPDYCI-DJLDLDEBSA-N 2 2 238.253 0.451 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)C2 ZINC000703539168 712077986 /nfs/dbraw/zinc/07/79/86/712077986.db2.gz ZRANMYBBKPDYCI-DJLDLDEBSA-N 2 2 238.253 0.451 20 0 BCADLP CCCS(=O)(=O)CC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708215680 712183838 /nfs/dbraw/zinc/18/38/38/712183838.db2.gz KTZSVTJACMBEEV-GHMZBOCLSA-N 2 2 248.392 0.338 20 0 BCADLP CCCS(=O)(=O)CC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708215680 712183839 /nfs/dbraw/zinc/18/38/39/712183839.db2.gz KTZSVTJACMBEEV-GHMZBOCLSA-N 2 2 248.392 0.338 20 0 BCADLP Cc1nonc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708830075 712200143 /nfs/dbraw/zinc/20/01/43/712200143.db2.gz JTOQIAQOXUPFRK-IONNQARKSA-N 2 2 210.281 0.405 20 0 BCADLP Cc1nonc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708830075 712200146 /nfs/dbraw/zinc/20/01/46/712200146.db2.gz JTOQIAQOXUPFRK-IONNQARKSA-N 2 2 210.281 0.405 20 0 BCADLP COC1(OC)CC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000711027077 712275504 /nfs/dbraw/zinc/27/55/04/712275504.db2.gz LTCFWKPJHPDBBL-SNVBAGLBSA-N 2 2 225.292 0.624 20 0 BCADLP FC[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000711445335 712301023 /nfs/dbraw/zinc/30/10/23/712301023.db2.gz TVASFMCIECXDQZ-QWRGUYRKSA-N 2 2 216.300 0.656 20 0 BCADLP FC[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000711445335 712301024 /nfs/dbraw/zinc/30/10/24/712301024.db2.gz TVASFMCIECXDQZ-QWRGUYRKSA-N 2 2 216.300 0.656 20 0 BCADLP CCn1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)nn1 ZINC000714454078 712490022 /nfs/dbraw/zinc/49/00/22/712490022.db2.gz BIZNWWZVLJGGCP-NXEZZACHSA-N 2 2 223.324 0.325 20 0 BCADLP CCn1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)nn1 ZINC000714454078 712490024 /nfs/dbraw/zinc/49/00/24/712490024.db2.gz BIZNWWZVLJGGCP-NXEZZACHSA-N 2 2 223.324 0.325 20 0 BCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715400591 712516935 /nfs/dbraw/zinc/51/69/35/712516935.db2.gz HGCUTAIMFSUXNZ-GARJFASQSA-N 2 2 246.301 0.640 20 0 BCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715400591 712516937 /nfs/dbraw/zinc/51/69/37/712516937.db2.gz HGCUTAIMFSUXNZ-GARJFASQSA-N 2 2 246.301 0.640 20 0 BCADLP C[C@@H](O)CC[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000717427894 712658285 /nfs/dbraw/zinc/65/82/85/712658285.db2.gz XNRBFTVFQOTAQK-UTUOFQBUSA-N 2 2 212.337 0.926 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000380213620 712727226 /nfs/dbraw/zinc/72/72/26/712727226.db2.gz ISZUOERJTRNZQF-VIFPVBQESA-N 2 2 222.292 0.462 20 0 BCADLP C[C@H]1[C@@H]([NH2+]C2CC[NH+](C)CC2)CCN1C ZINC000719610846 712816534 /nfs/dbraw/zinc/81/65/34/712816534.db2.gz CMTBAYFUEKZNHA-JQWIXIFHSA-N 2 2 211.353 0.763 20 0 BCADLP C[NH2+]CCOCC[N@H+](C)Cc1nocc1C ZINC000720400733 712839506 /nfs/dbraw/zinc/83/95/06/712839506.db2.gz QVVHSRLOEMAWEW-UHFFFAOYSA-N 2 2 227.308 0.651 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)Cc1nocc1C ZINC000720400733 712839507 /nfs/dbraw/zinc/83/95/07/712839507.db2.gz QVVHSRLOEMAWEW-UHFFFAOYSA-N 2 2 227.308 0.651 20 0 BCADLP Cc1conc1C[N@H+](C)CCOCC[NH3+] ZINC000720401206 712839606 /nfs/dbraw/zinc/83/96/06/712839606.db2.gz UXPQGEMWSPKAGF-UHFFFAOYSA-N 2 2 213.281 0.390 20 0 BCADLP Cc1conc1C[N@@H+](C)CCOCC[NH3+] ZINC000720401206 712839608 /nfs/dbraw/zinc/83/96/08/712839608.db2.gz UXPQGEMWSPKAGF-UHFFFAOYSA-N 2 2 213.281 0.390 20 0 BCADLP C[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CCO1 ZINC000720423786 712841797 /nfs/dbraw/zinc/84/17/97/712841797.db2.gz FLXXGLCVSTWGJZ-AAEUAGOBSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CCO1 ZINC000720423786 712841798 /nfs/dbraw/zinc/84/17/98/712841798.db2.gz FLXXGLCVSTWGJZ-AAEUAGOBSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CCO1 ZINC000720423786 712841800 /nfs/dbraw/zinc/84/18/00/712841800.db2.gz FLXXGLCVSTWGJZ-AAEUAGOBSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CCO1 ZINC000720423786 712841801 /nfs/dbraw/zinc/84/18/01/712841801.db2.gz FLXXGLCVSTWGJZ-AAEUAGOBSA-N 2 2 242.363 0.552 20 0 BCADLP CN(C)C(=O)CC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000720915206 712878279 /nfs/dbraw/zinc/87/82/79/712878279.db2.gz RXVIZLRPAMOQSM-WDEREUQCSA-N 2 2 225.336 0.291 20 0 BCADLP CN(C)C(=O)CC[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000720915206 712878282 /nfs/dbraw/zinc/87/82/82/712878282.db2.gz RXVIZLRPAMOQSM-WDEREUQCSA-N 2 2 225.336 0.291 20 0 BCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCCOCC1 ZINC000380458928 712900822 /nfs/dbraw/zinc/90/08/22/712900822.db2.gz XLAQZLUGXODKGB-GFCCVEGCSA-N 2 2 228.336 0.165 20 0 BCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCCOCC1 ZINC000380458928 712900823 /nfs/dbraw/zinc/90/08/23/712900823.db2.gz XLAQZLUGXODKGB-GFCCVEGCSA-N 2 2 228.336 0.165 20 0 BCADLP C[C@H]1CSCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000380462276 712900996 /nfs/dbraw/zinc/90/09/96/712900996.db2.gz KRTJWVDHBUYIOA-NWDGAFQWSA-N 2 2 244.404 0.880 20 0 BCADLP C[C@H]1CSCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000380462276 712900997 /nfs/dbraw/zinc/90/09/97/712900997.db2.gz KRTJWVDHBUYIOA-NWDGAFQWSA-N 2 2 244.404 0.880 20 0 BCADLP CC(C)[NH+]1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001043976788 710817328 /nfs/dbraw/zinc/81/73/28/710817328.db2.gz ZNFFUYWSJNSYQV-UHFFFAOYSA-N 2 2 236.319 0.503 20 0 BCADLP CC[N@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001049132129 710894972 /nfs/dbraw/zinc/89/49/72/710894972.db2.gz ZJHJTADBOLUZRV-PHIMTYICSA-N 2 2 248.330 0.362 20 0 BCADLP CC[N@@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001049132129 710894977 /nfs/dbraw/zinc/89/49/77/710894977.db2.gz ZJHJTADBOLUZRV-PHIMTYICSA-N 2 2 248.330 0.362 20 0 BCADLP COCCOCCOCC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000385241368 711008350 /nfs/dbraw/zinc/00/83/50/711008350.db2.gz LQNFGDJZWQYXMU-RYUDHWBXSA-N 2 2 246.351 0.088 20 0 BCADLP COCCOCCOCC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000385241368 711008352 /nfs/dbraw/zinc/00/83/52/711008352.db2.gz LQNFGDJZWQYXMU-RYUDHWBXSA-N 2 2 246.351 0.088 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000385592549 711014717 /nfs/dbraw/zinc/01/47/17/711014717.db2.gz IXTCZSXDUKYOKK-WFQJECDVSA-N 3 2 246.358 0.858 20 0 BCADLP COCC(COC)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000388421806 711060984 /nfs/dbraw/zinc/06/09/84/711060984.db2.gz ICRLQIKUQKSBNT-XZPDDHLCSA-N 2 2 240.347 0.234 20 0 BCADLP COCC(COC)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000388421801 711061195 /nfs/dbraw/zinc/06/11/95/711061195.db2.gz ICRLQIKUQKSBNT-WXDOIIRRSA-N 2 2 240.347 0.234 20 0 BCADLP c1cn(CCC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c[nH+]1 ZINC000392895708 711153239 /nfs/dbraw/zinc/15/32/39/711153239.db2.gz XFDFQPIWKLYIHX-MEBFFEOJSA-N 3 2 246.358 0.859 20 0 BCADLP c1cn(CCC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c[nH+]1 ZINC000392895714 711154058 /nfs/dbraw/zinc/15/40/58/711154058.db2.gz XFDFQPIWKLYIHX-YHQUGGNUSA-N 3 2 246.358 0.859 20 0 BCADLP CC(C)OC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000395039263 711200179 /nfs/dbraw/zinc/20/01/79/711200179.db2.gz SHUCSOBZYCJNNQ-WUHRBBMRSA-N 2 2 242.363 0.264 20 0 BCADLP CC(C)OC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000395039263 711200182 /nfs/dbraw/zinc/20/01/82/711200182.db2.gz SHUCSOBZYCJNNQ-WUHRBBMRSA-N 2 2 242.363 0.264 20 0 BCADLP COCCOCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396618987 711361333 /nfs/dbraw/zinc/36/13/33/711361333.db2.gz HCTIVFJZVRYTCE-MNOVXSKESA-N 2 2 216.325 0.380 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000396702137 711366992 /nfs/dbraw/zinc/36/69/92/711366992.db2.gz LJNKUTHMORHCIT-DGCLKSJQSA-N 3 2 223.364 0.978 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000396702137 711366998 /nfs/dbraw/zinc/36/69/98/711366998.db2.gz LJNKUTHMORHCIT-DGCLKSJQSA-N 3 2 223.364 0.978 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCNC(=O)C1CC1 ZINC000396731651 711369143 /nfs/dbraw/zinc/36/91/43/711369143.db2.gz YVLJYXYBUXPPHB-ONGXEEELSA-N 2 2 225.336 0.243 20 0 BCADLP CCN1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1=O ZINC000396687419 711365130 /nfs/dbraw/zinc/36/51/30/711365130.db2.gz YWWFJILSLPMOHO-HBNTYKKESA-N 2 2 225.336 0.337 20 0 BCADLP COC[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)OC ZINC000396704649 711367059 /nfs/dbraw/zinc/36/70/59/711367059.db2.gz OCQRFGVJVUJHRD-GARJFASQSA-N 2 2 216.325 0.378 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001020818836 711468000 /nfs/dbraw/zinc/46/80/00/711468000.db2.gz GALDIUCVTIKBSU-KYZUINATSA-N 2 2 240.282 0.159 20 0 BCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000050249263 711493616 /nfs/dbraw/zinc/49/36/16/711493616.db2.gz SUYYXQWCRZVAKK-ZDUSSCGKSA-N 2 2 247.342 0.583 20 0 BCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC000050249263 711493618 /nfs/dbraw/zinc/49/36/18/711493618.db2.gz SUYYXQWCRZVAKK-ZDUSSCGKSA-N 2 2 247.342 0.583 20 0 BCADLP Cc1nc(C)c(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)o1 ZINC000723649004 711530692 /nfs/dbraw/zinc/53/06/92/711530692.db2.gz DFXMXRYWNYGMDY-NSHDSACASA-N 2 2 239.319 0.841 20 0 BCADLP Cc1nc(C)c(C[N@H+]2CCCO[C@@H](C[NH3+])C2)o1 ZINC000723649004 711530694 /nfs/dbraw/zinc/53/06/94/711530694.db2.gz DFXMXRYWNYGMDY-NSHDSACASA-N 2 2 239.319 0.841 20 0 BCADLP C[C@@H]1COCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000382657879 711546666 /nfs/dbraw/zinc/54/66/66/711546666.db2.gz IAENEJKJQDNXSZ-CHWSQXEVSA-N 2 2 242.363 0.554 20 0 BCADLP C[C@@H]1COCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000382657879 711546667 /nfs/dbraw/zinc/54/66/67/711546667.db2.gz IAENEJKJQDNXSZ-CHWSQXEVSA-N 2 2 242.363 0.554 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724557932 711590209 /nfs/dbraw/zinc/59/02/09/711590209.db2.gz LYSORRVZMCHFBK-NAKRPEOUSA-N 2 2 214.309 0.069 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724557932 711590211 /nfs/dbraw/zinc/59/02/11/711590211.db2.gz LYSORRVZMCHFBK-NAKRPEOUSA-N 2 2 214.309 0.069 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724564699 711592734 /nfs/dbraw/zinc/59/27/34/711592734.db2.gz WDYLUNHFGFJDGT-MROQNXINSA-N 2 2 240.347 0.604 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724564699 711592737 /nfs/dbraw/zinc/59/27/37/711592737.db2.gz WDYLUNHFGFJDGT-MROQNXINSA-N 2 2 240.347 0.604 20 0 BCADLP CC1(C)C[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C[C@H]1[NH3+] ZINC000724598282 711596641 /nfs/dbraw/zinc/59/66/41/711596641.db2.gz GOPFYGSLPSCGSU-WRWGMCAJSA-N 2 2 240.347 0.459 20 0 BCADLP CC1(C)C[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C[C@H]1[NH3+] ZINC000724598282 711596644 /nfs/dbraw/zinc/59/66/44/711596644.db2.gz GOPFYGSLPSCGSU-WRWGMCAJSA-N 2 2 240.347 0.459 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C[C@H]1[NH3+] ZINC000724602192 711597117 /nfs/dbraw/zinc/59/71/17/711597117.db2.gz XREIHTGETVBIFM-IIRVCBMXSA-N 2 2 226.320 0.069 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C[C@H]1[NH3+] ZINC000724602192 711597120 /nfs/dbraw/zinc/59/71/20/711597120.db2.gz XREIHTGETVBIFM-IIRVCBMXSA-N 2 2 226.320 0.069 20 0 BCADLP CCC[N@H+](CCO[C@@H]1CCOC1)[C@@H]1CC[NH2+]C1 ZINC000724921080 711628649 /nfs/dbraw/zinc/62/86/49/711628649.db2.gz JQTFSMCFLMUUSK-CHWSQXEVSA-N 2 2 242.363 0.866 20 0 BCADLP CCC[N@@H+](CCO[C@@H]1CCOC1)[C@@H]1CC[NH2+]C1 ZINC000724921080 711628650 /nfs/dbraw/zinc/62/86/50/711628650.db2.gz JQTFSMCFLMUUSK-CHWSQXEVSA-N 2 2 242.363 0.866 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC000396560561 711701916 /nfs/dbraw/zinc/70/19/16/711701916.db2.gz HUJYLTGQYDOLNM-NXEZZACHSA-N 2 2 234.365 0.151 20 0 BCADLP CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027245093 711717163 /nfs/dbraw/zinc/71/71/63/711717163.db2.gz LDOKKCHLWLGSOQ-NSHDSACASA-N 2 2 236.319 0.341 20 0 BCADLP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925722229 711720000 /nfs/dbraw/zinc/72/00/00/711720000.db2.gz UJMXPIXHQGCAOP-VXGBXAGGSA-N 2 2 237.347 0.481 20 0 BCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC[C@H]1CCCO1 ZINC000925773719 711745129 /nfs/dbraw/zinc/74/51/29/711745129.db2.gz FVLLKFXNBLTNAZ-YNEHKIRRSA-N 2 2 242.363 0.912 20 0 BCADLP C[C@@H]([NH2+]CCO[C@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000925875596 711761622 /nfs/dbraw/zinc/76/16/22/711761622.db2.gz VDAWFQCAPFRWDJ-FRRDWIJNSA-N 2 2 242.363 0.912 20 0 BCADLP C[C@@H]([NH2+]CCO[C@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000925875594 711761690 /nfs/dbraw/zinc/76/16/90/711761690.db2.gz VDAWFQCAPFRWDJ-AGIUHOORSA-N 2 2 242.363 0.912 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CC2CC2)C1 ZINC001030155938 711827144 /nfs/dbraw/zinc/82/71/44/711827144.db2.gz RRIUEOAPKVPEHU-GFCCVEGCSA-N 2 2 237.347 0.291 20 0 BCADLP C[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CC2CC2)C1 ZINC001030155938 711827145 /nfs/dbraw/zinc/82/71/45/711827145.db2.gz RRIUEOAPKVPEHU-GFCCVEGCSA-N 2 2 237.347 0.291 20 0 BCADLP COCC(COC)[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000388287950 711861962 /nfs/dbraw/zinc/86/19/62/711861962.db2.gz RDHKHVDFPLIMNL-JTQLQIEISA-N 2 2 216.325 0.317 20 0 BCADLP COCC(COC)[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000388287950 711861964 /nfs/dbraw/zinc/86/19/64/711861964.db2.gz RDHKHVDFPLIMNL-JTQLQIEISA-N 2 2 216.325 0.317 20 0 BCADLP CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000939858585 711893237 /nfs/dbraw/zinc/89/32/37/711893237.db2.gz ZCQVRTDNWXYJCH-GHMZBOCLSA-N 2 2 236.319 0.340 20 0 BCADLP CC(C)C1(O)C[NH+](CCCn2cc[nH+]c2)C1 ZINC000084376660 711924790 /nfs/dbraw/zinc/92/47/90/711924790.db2.gz YDVLPJJJRNSFAL-UHFFFAOYSA-N 2 2 223.320 0.976 20 0 BCADLP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032550081 711924816 /nfs/dbraw/zinc/92/48/16/711924816.db2.gz CPJGQTNLVRDNDH-RYUDHWBXSA-N 2 2 248.330 0.578 20 0 BCADLP CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032550081 711924817 /nfs/dbraw/zinc/92/48/17/711924817.db2.gz CPJGQTNLVRDNDH-RYUDHWBXSA-N 2 2 248.330 0.578 20 0 BCADLP [NH3+]C1CC(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000703500594 712077525 /nfs/dbraw/zinc/07/75/25/712077525.db2.gz FXWXCWPEIKIICM-UHFFFAOYSA-N 2 2 236.319 0.517 20 0 BCADLP C[N@@H+](Cc1ccc(N)nn1)C[C@H]1CC[NH+](C)C1 ZINC000703952751 712092319 /nfs/dbraw/zinc/09/23/19/712092319.db2.gz QTCUZFYHVHQUJL-JTQLQIEISA-N 2 2 235.335 0.442 20 0 BCADLP C[N@H+](Cc1ccc(N)nn1)C[C@H]1CC[NH+](C)C1 ZINC000703952751 712092320 /nfs/dbraw/zinc/09/23/20/712092320.db2.gz QTCUZFYHVHQUJL-JTQLQIEISA-N 2 2 235.335 0.442 20 0 BCADLP C[NH+](Cc1ccc(N)nn1)C[C@H]1CC[N@H+](C)C1 ZINC000703952751 712092321 /nfs/dbraw/zinc/09/23/21/712092321.db2.gz QTCUZFYHVHQUJL-JTQLQIEISA-N 2 2 235.335 0.442 20 0 BCADLP C[NH+](Cc1ccc(N)nn1)C[C@H]1CC[N@@H+](C)C1 ZINC000703952751 712092322 /nfs/dbraw/zinc/09/23/22/712092322.db2.gz QTCUZFYHVHQUJL-JTQLQIEISA-N 2 2 235.335 0.442 20 0 BCADLP CN1CCC[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1=O ZINC000704389060 712105422 /nfs/dbraw/zinc/10/54/22/712105422.db2.gz YFDSCWOFEBCKFY-RJRAAQABSA-N 2 2 249.358 0.193 20 0 BCADLP C[N@@H+](Cc1ccc(N)nn1)C[C@@H]1CCC[NH+](C)C1 ZINC000705136562 712122623 /nfs/dbraw/zinc/12/26/23/712122623.db2.gz KNTSTHMWZHCWMQ-LLVKDONJSA-N 2 2 249.362 0.832 20 0 BCADLP C[N@H+](Cc1ccc(N)nn1)C[C@@H]1CCC[NH+](C)C1 ZINC000705136562 712122624 /nfs/dbraw/zinc/12/26/24/712122624.db2.gz KNTSTHMWZHCWMQ-LLVKDONJSA-N 2 2 249.362 0.832 20 0 BCADLP C[NH+](Cc1ccc(N)nn1)C[C@@H]1CCC[N@H+](C)C1 ZINC000705136562 712122626 /nfs/dbraw/zinc/12/26/26/712122626.db2.gz KNTSTHMWZHCWMQ-LLVKDONJSA-N 2 2 249.362 0.832 20 0 BCADLP C[NH+](Cc1ccc(N)nn1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000705136562 712122628 /nfs/dbraw/zinc/12/26/28/712122628.db2.gz KNTSTHMWZHCWMQ-LLVKDONJSA-N 2 2 249.362 0.832 20 0 BCADLP C[NH+](C)C1(C)CC[NH+](CCOCCO)CC1 ZINC000709773983 712222046 /nfs/dbraw/zinc/22/20/46/712222046.db2.gz VCIZAKVBJSYRDA-UHFFFAOYSA-N 2 2 230.352 0.411 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479157 712334526 /nfs/dbraw/zinc/33/45/26/712334526.db2.gz NAFRNGOPTFTEPT-LLVKDONJSA-N 3 2 222.336 0.633 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479157 712334527 /nfs/dbraw/zinc/33/45/27/712334527.db2.gz NAFRNGOPTFTEPT-LLVKDONJSA-N 3 2 222.336 0.633 20 0 BCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCn2cnnn2)[C@H]1C ZINC000712613160 712438088 /nfs/dbraw/zinc/43/80/88/712438088.db2.gz ACBCTHYVRXAICJ-VWYCJHECSA-N 2 2 238.339 0.121 20 0 BCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCn2cnnn2)[C@H]1C ZINC000712613160 712438089 /nfs/dbraw/zinc/43/80/89/712438089.db2.gz ACBCTHYVRXAICJ-VWYCJHECSA-N 2 2 238.339 0.121 20 0 BCADLP CC1(C)CC[NH2+]CC[N@@H+]1CCN1CCOC1=O ZINC000712555943 712444979 /nfs/dbraw/zinc/44/49/79/712444979.db2.gz BQQFQJMICLRBNY-UHFFFAOYSA-N 2 2 241.335 0.513 20 0 BCADLP CC1(C)CC[NH2+]CC[N@H+]1CCN1CCOC1=O ZINC000712555943 712444981 /nfs/dbraw/zinc/44/49/81/712444981.db2.gz BQQFQJMICLRBNY-UHFFFAOYSA-N 2 2 241.335 0.513 20 0 BCADLP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCCn2cc[nH+]c2)C1 ZINC000713050304 712452098 /nfs/dbraw/zinc/45/20/98/712452098.db2.gz DCTPHZOVKCCCEW-HOSYDEDBSA-N 2 2 234.303 0.127 20 0 BCADLP C[C@@H]([NH3+])C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000036999270 712528986 /nfs/dbraw/zinc/52/89/86/712528986.db2.gz MCVCZCZFIJDGDD-NXEZZACHSA-N 2 2 238.335 0.761 20 0 BCADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cn(C)nn1 ZINC000715884612 712539727 /nfs/dbraw/zinc/53/97/27/712539727.db2.gz OUAIYXGLKQDBBZ-VHSXEESVSA-N 2 2 234.307 0.751 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cn(C)nn1 ZINC000715884609 712539856 /nfs/dbraw/zinc/53/98/56/712539856.db2.gz OUAIYXGLKQDBBZ-NXEZZACHSA-N 2 2 234.307 0.751 20 0 BCADLP C[C@@H]([NH2+]CC1(C)OCCO1)[C@@H]1CCC[NH2+]1 ZINC000716903186 712581067 /nfs/dbraw/zinc/58/10/67/712581067.db2.gz JFIXLTYJGLCDNG-ZJUUUORDSA-N 2 2 214.309 0.480 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000826984704 712593023 /nfs/dbraw/zinc/59/30/23/712593023.db2.gz OKZHSOORHCLIFF-ONGXEEELSA-N 2 2 240.282 0.089 20 0 BCADLP CC[NH+](CC)CC[NH2+][C@H](C)C[C@H]1CCC(=O)N1 ZINC000379869024 712619372 /nfs/dbraw/zinc/61/93/72/712619372.db2.gz OIXPUYOHJUKWCC-VXGBXAGGSA-N 2 2 241.379 0.975 20 0 BCADLP C[C@@H](O)CC[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717427894 712658280 /nfs/dbraw/zinc/65/82/80/712658280.db2.gz XNRBFTVFQOTAQK-UTUOFQBUSA-N 2 2 212.337 0.926 20 0 BCADLP C[C@@H](O)CC[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717427894 712658282 /nfs/dbraw/zinc/65/82/82/712658282.db2.gz XNRBFTVFQOTAQK-UTUOFQBUSA-N 2 2 212.337 0.926 20 0 BCADLP C[C@@H](O)CC[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000717427894 712658284 /nfs/dbraw/zinc/65/82/84/712658284.db2.gz XNRBFTVFQOTAQK-UTUOFQBUSA-N 2 2 212.337 0.926 20 0 BCADLP C[N@@H+](Cc1ccnc(Cl)c1)C[C@@H](O)C[NH3+] ZINC000380030798 712683570 /nfs/dbraw/zinc/68/35/70/712683570.db2.gz QFUPETYTMVVSKY-VIFPVBQESA-N 2 2 229.711 0.486 20 0 BCADLP C[N@H+](Cc1ccnc(Cl)c1)C[C@@H](O)C[NH3+] ZINC000380030798 712683572 /nfs/dbraw/zinc/68/35/72/712683572.db2.gz QFUPETYTMVVSKY-VIFPVBQESA-N 2 2 229.711 0.486 20 0 BCADLP CC(C)[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000145229355 712726526 /nfs/dbraw/zinc/72/65/26/712726526.db2.gz VKKADVMWPMAGKG-UHFFFAOYSA-N 2 2 236.319 0.505 20 0 BCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC1OCCO1 ZINC000718920362 712788015 /nfs/dbraw/zinc/78/80/15/712788015.db2.gz VDZZYSHNBOBCDG-NWDGAFQWSA-N 2 2 240.347 0.918 20 0 BCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC1OCCO1 ZINC000718920362 712788017 /nfs/dbraw/zinc/78/80/17/712788017.db2.gz VDZZYSHNBOBCDG-NWDGAFQWSA-N 2 2 240.347 0.918 20 0 BCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC1OCCO1 ZINC000718920362 712788019 /nfs/dbraw/zinc/78/80/19/712788019.db2.gz VDZZYSHNBOBCDG-NWDGAFQWSA-N 2 2 240.347 0.918 20 0 BCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC1OCCO1 ZINC000718920362 712788021 /nfs/dbraw/zinc/78/80/21/712788021.db2.gz VDZZYSHNBOBCDG-NWDGAFQWSA-N 2 2 240.347 0.918 20 0 BCADLP C[NH+](C)CC1(O)CC[NH+](Cc2ccon2)CC1 ZINC000720339952 712831867 /nfs/dbraw/zinc/83/18/67/712831867.db2.gz NSSGGQZOYQMRMA-UHFFFAOYSA-N 2 2 239.319 0.563 20 0 BCADLP C[C@H](CO)C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000720349374 712832407 /nfs/dbraw/zinc/83/24/07/712832407.db2.gz DMOXVBUDBVVEQU-QJPTWQEYSA-N 2 2 212.337 0.783 20 0 BCADLP C[C@H](CO)C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000720349374 712832408 /nfs/dbraw/zinc/83/24/08/712832408.db2.gz DMOXVBUDBVVEQU-QJPTWQEYSA-N 2 2 212.337 0.783 20 0 BCADLP C[C@H](CO)C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720349374 712832409 /nfs/dbraw/zinc/83/24/09/712832409.db2.gz DMOXVBUDBVVEQU-QJPTWQEYSA-N 2 2 212.337 0.783 20 0 BCADLP C[C@H](CO)C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720349374 712832412 /nfs/dbraw/zinc/83/24/12/712832412.db2.gz DMOXVBUDBVVEQU-QJPTWQEYSA-N 2 2 212.337 0.783 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCO[C@H](C)CC1 ZINC000720429404 712842484 /nfs/dbraw/zinc/84/24/84/712842484.db2.gz JWIJIEZPCXRBEQ-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCO[C@H](C)CC1 ZINC000720429404 712842486 /nfs/dbraw/zinc/84/24/86/712842486.db2.gz JWIJIEZPCXRBEQ-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCO[C@H](C)CC1 ZINC000720429404 712842489 /nfs/dbraw/zinc/84/24/89/712842489.db2.gz JWIJIEZPCXRBEQ-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCO[C@H](C)CC1 ZINC000720429404 712842491 /nfs/dbraw/zinc/84/24/91/712842491.db2.gz JWIJIEZPCXRBEQ-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CCOC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000720484286 712846971 /nfs/dbraw/zinc/84/69/71/712846971.db2.gz XSELNQYZIZPRMZ-JHJVBQTASA-N 2 2 242.363 0.552 20 0 BCADLP CCOC[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000720484286 712846972 /nfs/dbraw/zinc/84/69/72/712846972.db2.gz XSELNQYZIZPRMZ-JHJVBQTASA-N 2 2 242.363 0.552 20 0 BCADLP CCOC[C@H](O)C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720484286 712846973 /nfs/dbraw/zinc/84/69/73/712846973.db2.gz XSELNQYZIZPRMZ-JHJVBQTASA-N 2 2 242.363 0.552 20 0 BCADLP CCOC[C@H](O)C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720484286 712846974 /nfs/dbraw/zinc/84/69/74/712846974.db2.gz XSELNQYZIZPRMZ-JHJVBQTASA-N 2 2 242.363 0.552 20 0 BCADLP CC[C@@H](O)C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720483017 712847010 /nfs/dbraw/zinc/84/70/10/712847010.db2.gz SYYUJJJUJSIBTH-GRYCIOLGSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000720483017 712847007 /nfs/dbraw/zinc/84/70/07/712847007.db2.gz SYYUJJJUJSIBTH-GRYCIOLGSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@@H](O)C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000720483017 712847008 /nfs/dbraw/zinc/84/70/08/712847008.db2.gz SYYUJJJUJSIBTH-GRYCIOLGSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@@H](O)C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720483017 712847009 /nfs/dbraw/zinc/84/70/09/712847009.db2.gz SYYUJJJUJSIBTH-GRYCIOLGSA-N 2 2 212.337 0.926 20 0 BCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H](O)C1CC1 ZINC000720491625 712847385 /nfs/dbraw/zinc/84/73/85/712847385.db2.gz LDIDUAVYVABHAB-UPJWGTAASA-N 2 2 224.348 0.926 20 0 BCADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H](O)C1CC1 ZINC000720491625 712847387 /nfs/dbraw/zinc/84/73/87/712847387.db2.gz LDIDUAVYVABHAB-UPJWGTAASA-N 2 2 224.348 0.926 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)C1CC1 ZINC000720491625 712847388 /nfs/dbraw/zinc/84/73/88/712847388.db2.gz LDIDUAVYVABHAB-UPJWGTAASA-N 2 2 224.348 0.926 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)C1CC1 ZINC000720491625 712847391 /nfs/dbraw/zinc/84/73/91/712847391.db2.gz LDIDUAVYVABHAB-UPJWGTAASA-N 2 2 224.348 0.926 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ncnc2c1C[NH2+]C2 ZINC001164635920 719179112 /nfs/dbraw/zinc/17/91/12/719179112.db2.gz MAVOULLBOQGUED-VHSXEESVSA-N 2 2 247.346 0.609 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ncnc2c1C[NH2+]C2 ZINC001164635920 719179121 /nfs/dbraw/zinc/17/91/21/719179121.db2.gz MAVOULLBOQGUED-VHSXEESVSA-N 2 2 247.346 0.609 20 0 BCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc(N)[nH+]cn1 ZINC001164634879 719231119 /nfs/dbraw/zinc/23/11/19/719231119.db2.gz HZOGHWZUNGHXHX-IUCAKERBSA-N 2 2 221.308 0.588 20 0 BCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cc(N)[nH+]cn1 ZINC001164634879 719231123 /nfs/dbraw/zinc/23/11/23/719231123.db2.gz HZOGHWZUNGHXHX-IUCAKERBSA-N 2 2 221.308 0.588 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C1 ZINC000378699683 346811097 /nfs/dbraw/zinc/81/10/97/346811097.db2.gz MSDBJWGFSYCCNF-XQHKEYJVSA-N 2 2 224.348 0.853 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C1 ZINC000378699683 346811099 /nfs/dbraw/zinc/81/10/99/346811099.db2.gz MSDBJWGFSYCCNF-XQHKEYJVSA-N 2 2 224.348 0.853 20 0 BCADLP Cc1c[nH]c(CN2CCO[C@@H](C[NH+](C)C)C2)[nH+]1 ZINC000628118561 398159078 /nfs/dbraw/zinc/15/90/78/398159078.db2.gz YCGCDSOZILGXKO-NSHDSACASA-N 2 2 238.335 0.481 20 0 BCADLP C[C@@H](CCO)[N@H+](C)CCCn1cc[nH+]c1 ZINC000649870317 398156380 /nfs/dbraw/zinc/15/63/80/398156380.db2.gz ZRSJWWSCXKPPSJ-NSHDSACASA-N 2 2 211.309 0.976 20 0 BCADLP C[C@@H](CCO)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000649870317 398156382 /nfs/dbraw/zinc/15/63/82/398156382.db2.gz ZRSJWWSCXKPPSJ-NSHDSACASA-N 2 2 211.309 0.976 20 0 BCADLP C[C@@H](C[NH2+]Cc1ncnn1C)C[NH+](C)C ZINC000379807253 398167938 /nfs/dbraw/zinc/16/79/38/398167938.db2.gz OHUJQDNANITFDR-VIFPVBQESA-N 2 2 211.313 0.102 20 0 BCADLP O=C(CCC1CC[NH2+]CC1)NCc1[nH]cc[nH+]1 ZINC000080643398 398183051 /nfs/dbraw/zinc/18/30/51/398183051.db2.gz HTKWUHNKXZFUDC-UHFFFAOYSA-N 2 2 236.319 0.806 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000584239837 398183346 /nfs/dbraw/zinc/18/33/46/398183346.db2.gz OBJNYIFUQMIBFD-GXSJLCMTSA-N 2 2 226.324 0.373 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000584239837 398183352 /nfs/dbraw/zinc/18/33/52/398183352.db2.gz OBJNYIFUQMIBFD-GXSJLCMTSA-N 2 2 226.324 0.373 20 0 BCADLP COC[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000162153351 538920967 /nfs/dbraw/zinc/92/09/67/538920967.db2.gz ZBEPHDOUZROQJI-LLVKDONJSA-N 2 2 209.293 0.994 20 0 BCADLP COC[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000162153351 538920968 /nfs/dbraw/zinc/92/09/68/538920968.db2.gz ZBEPHDOUZROQJI-LLVKDONJSA-N 2 2 209.293 0.994 20 0 BCADLP c1[nH]nnc1CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000647964410 398177850 /nfs/dbraw/zinc/17/78/50/398177850.db2.gz IODDVQIMYIYGJD-LBPRGKRZSA-N 2 2 249.362 0.765 20 0 BCADLP c1[nH]nnc1CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000647964410 398177853 /nfs/dbraw/zinc/17/78/53/398177853.db2.gz IODDVQIMYIYGJD-LBPRGKRZSA-N 2 2 249.362 0.765 20 0 BCADLP c1n[nH]nc1CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000647964410 398177857 /nfs/dbraw/zinc/17/78/57/398177857.db2.gz IODDVQIMYIYGJD-LBPRGKRZSA-N 2 2 249.362 0.765 20 0 BCADLP c1n[nH]nc1CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000647964410 398177861 /nfs/dbraw/zinc/17/78/61/398177861.db2.gz IODDVQIMYIYGJD-LBPRGKRZSA-N 2 2 249.362 0.765 20 0 BCADLP CCCCNC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430576407 398179455 /nfs/dbraw/zinc/17/94/55/398179455.db2.gz XFGMQEKNRUWAGP-LBPRGKRZSA-N 2 2 227.352 0.620 20 0 BCADLP CCC([NH3+])(CC)CNC(=O)CCn1cc[nH+]c1 ZINC000122515252 398180025 /nfs/dbraw/zinc/18/00/25/398180025.db2.gz ITXJGRICOOHBOD-UHFFFAOYSA-N 2 2 238.335 0.907 20 0 BCADLP COc1ccsc1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415094898 398160917 /nfs/dbraw/zinc/16/09/17/398160917.db2.gz KUVRLCJSCNQITD-VIFPVBQESA-N 2 2 242.344 0.835 20 0 BCADLP COC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C1CCOCC1 ZINC000446822513 201698283 /nfs/dbraw/zinc/69/82/83/201698283.db2.gz XESVUEYRQNIFAW-YPMHNXCESA-N 2 2 244.379 0.968 20 0 BCADLP CCn1nccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000163085049 538926710 /nfs/dbraw/zinc/92/67/10/538926710.db2.gz KQUBIYQJYGBOMP-GHMZBOCLSA-N 2 2 220.320 0.554 20 0 BCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1CCn1cc[nH+]c1 ZINC000334453027 398207571 /nfs/dbraw/zinc/20/75/71/398207571.db2.gz ZVJXUHMWMGFFQH-NWDGAFQWSA-N 2 2 222.336 0.908 20 0 BCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1CCn1cc[nH+]c1 ZINC000334453027 398207577 /nfs/dbraw/zinc/20/75/77/398207577.db2.gz ZVJXUHMWMGFFQH-NWDGAFQWSA-N 2 2 222.336 0.908 20 0 BCADLP C[C@H](O)C[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000576339628 365569182 /nfs/dbraw/zinc/56/91/82/365569182.db2.gz STEUPOGBBLUIFC-JTQLQIEISA-N 2 2 223.320 0.732 20 0 BCADLP COC[C@H](C)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000576344709 365572462 /nfs/dbraw/zinc/57/24/62/365572462.db2.gz ZNACYRHJBAQZAE-CHWSQXEVSA-N 2 2 244.379 0.705 20 0 BCADLP COC[C@H](C)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000576344709 365572467 /nfs/dbraw/zinc/57/24/67/365572467.db2.gz ZNACYRHJBAQZAE-CHWSQXEVSA-N 2 2 244.379 0.705 20 0 BCADLP Cc1cc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc[nH+]1 ZINC000094573196 178145762 /nfs/dbraw/zinc/14/57/62/178145762.db2.gz QFGPEYDSBRQZJG-MNOVXSKESA-N 2 2 235.287 0.835 20 0 BCADLP Cc1cc(NC(=O)[C@@H]2CSC[NH2+]2)cc[nH+]1 ZINC000074933194 178145894 /nfs/dbraw/zinc/14/58/94/178145894.db2.gz WAJXWBMLBCUQCF-VIFPVBQESA-N 2 2 223.301 0.991 20 0 BCADLP CCOc1ccc(C[N@H+](C)C[C@H](O)C[NH3+])nc1 ZINC000649419787 398218713 /nfs/dbraw/zinc/21/87/13/398218713.db2.gz JFOJIMDZVBNFKW-LLVKDONJSA-N 2 2 239.319 0.232 20 0 BCADLP CCOc1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])nc1 ZINC000649419787 398218720 /nfs/dbraw/zinc/21/87/20/398218720.db2.gz JFOJIMDZVBNFKW-LLVKDONJSA-N 2 2 239.319 0.232 20 0 BCADLP Cc1cc(C)n(CC[N@@H+]2CC[C@H]([NH3+])C2)n1 ZINC000386749320 398219127 /nfs/dbraw/zinc/21/91/27/398219127.db2.gz GDUWSSCYFYIJON-NSHDSACASA-N 2 2 208.309 0.533 20 0 BCADLP Cc1cc(C)n(CC[N@H+]2CC[C@H]([NH3+])C2)n1 ZINC000386749320 398219129 /nfs/dbraw/zinc/21/91/29/398219129.db2.gz GDUWSSCYFYIJON-NSHDSACASA-N 2 2 208.309 0.533 20 0 BCADLP c1cnc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000649411572 398212928 /nfs/dbraw/zinc/21/29/28/398212928.db2.gz HNEDABKPNXNMRR-GFCCVEGCSA-N 2 2 247.346 0.208 20 0 BCADLP c1cnn(CC[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000649419371 398220500 /nfs/dbraw/zinc/22/05/00/398220500.db2.gz MYUPURGDHOSUEF-VXGBXAGGSA-N 2 2 220.320 0.567 20 0 BCADLP c1cnn(CC[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000649419371 398220503 /nfs/dbraw/zinc/22/05/03/398220503.db2.gz MYUPURGDHOSUEF-VXGBXAGGSA-N 2 2 220.320 0.567 20 0 BCADLP CC[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000020036753 538930290 /nfs/dbraw/zinc/93/02/90/538930290.db2.gz IJBPDPJCAJQBCS-SNVBAGLBSA-N 2 2 213.325 0.149 20 0 BCADLP Cn1c[nH+]c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000380108102 488173284 /nfs/dbraw/zinc/17/32/84/488173284.db2.gz RGFPSNAWOQOFIB-NXEZZACHSA-N 2 2 206.293 0.071 20 0 BCADLP Cn1cnc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000380108102 488173288 /nfs/dbraw/zinc/17/32/88/488173288.db2.gz RGFPSNAWOQOFIB-NXEZZACHSA-N 2 2 206.293 0.071 20 0 BCADLP CC[C@H](C)NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430569532 398229597 /nfs/dbraw/zinc/22/95/97/398229597.db2.gz LNEFBHKHVMBQNM-JQWIXIFHSA-N 2 2 229.368 0.864 20 0 BCADLP CC[C@@H]1COCC[N@@H+]1CCn1cc[nH+]c1 ZINC000161926484 349521739 /nfs/dbraw/zinc/52/17/39/349521739.db2.gz CDWDVNSZWDMOPU-LLVKDONJSA-N 2 2 209.293 0.994 20 0 BCADLP CC[C@@H]1COCC[N@H+]1CCn1cc[nH+]c1 ZINC000161926484 349521741 /nfs/dbraw/zinc/52/17/41/349521741.db2.gz CDWDVNSZWDMOPU-LLVKDONJSA-N 2 2 209.293 0.994 20 0 BCADLP CCCCNC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430563828 398228187 /nfs/dbraw/zinc/22/81/87/398228187.db2.gz KFOMWJYXENFWNM-GFCCVEGCSA-N 2 2 229.368 0.866 20 0 BCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)NCC1CCC1 ZINC000430575084 398228898 /nfs/dbraw/zinc/22/88/98/398228898.db2.gz UQZVEQBJOSQHRG-ZDUSSCGKSA-N 2 2 241.379 0.866 20 0 BCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NCC1CCC1 ZINC000430575082 398229153 /nfs/dbraw/zinc/22/91/53/398229153.db2.gz UQZVEQBJOSQHRG-CYBMUJFWSA-N 2 2 241.379 0.866 20 0 BCADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ncc[nH]1 ZINC000285599811 538941616 /nfs/dbraw/zinc/94/16/16/538941616.db2.gz JQOGUENVPBLVJX-VIFPVBQESA-N 2 2 205.265 0.957 20 0 BCADLP CCOC[C@@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000576511622 365613643 /nfs/dbraw/zinc/61/36/43/365613643.db2.gz KXGWHOPCACNEBA-ZJUUUORDSA-N 2 2 239.319 0.254 20 0 BCADLP CCOC[C@@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000576511622 365613648 /nfs/dbraw/zinc/61/36/48/365613648.db2.gz KXGWHOPCACNEBA-ZJUUUORDSA-N 2 2 239.319 0.254 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](OC)C1 ZINC000381178487 398252367 /nfs/dbraw/zinc/25/23/67/398252367.db2.gz VQYCHVIRTCJLSH-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](OC)C1 ZINC000381178487 398252369 /nfs/dbraw/zinc/25/23/69/398252369.db2.gz VQYCHVIRTCJLSH-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](OC)C1 ZINC000381178487 398252371 /nfs/dbraw/zinc/25/23/71/398252371.db2.gz VQYCHVIRTCJLSH-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](OC)C1 ZINC000381178487 398252375 /nfs/dbraw/zinc/25/23/75/398252375.db2.gz VQYCHVIRTCJLSH-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP [NH3+][C@H](C(=O)NC[C@@H]1CCC[NH2+]1)c1cscn1 ZINC000576696207 365659787 /nfs/dbraw/zinc/65/97/87/365659787.db2.gz FPBADAKPQNEPGC-CBAPKCEASA-N 2 2 240.332 0.011 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000291169615 538947285 /nfs/dbraw/zinc/94/72/85/538947285.db2.gz ITXPVDLFIGUNFF-JTQLQIEISA-N 2 2 222.292 0.131 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000291169615 538947286 /nfs/dbraw/zinc/94/72/86/538947286.db2.gz ITXPVDLFIGUNFF-JTQLQIEISA-N 2 2 222.292 0.131 20 0 BCADLP C[C@H](O)C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000576749153 365675115 /nfs/dbraw/zinc/67/51/15/365675115.db2.gz NGGCDNDIOYSEHU-VHSXEESVSA-N 2 2 218.366 0.394 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H](C)C[C@H](C)[NH3+])c[nH+]1 ZINC000576755911 365678287 /nfs/dbraw/zinc/67/82/87/365678287.db2.gz CCFIUDREMFGWCM-NKWVEPMBSA-N 2 2 210.281 0.574 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@H]1O ZINC000378738765 346819419 /nfs/dbraw/zinc/81/94/19/346819419.db2.gz OBFFSEKZRZEGNC-ZDDJMSTPSA-N 2 2 210.321 0.582 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@H]1O ZINC000378738765 346819423 /nfs/dbraw/zinc/81/94/23/346819423.db2.gz OBFFSEKZRZEGNC-ZDDJMSTPSA-N 2 2 210.321 0.582 20 0 BCADLP Cn1ncc2c1nc[nH+]c2NCCC[NH2+]C1CC1 ZINC000036269478 398260183 /nfs/dbraw/zinc/26/01/83/398260183.db2.gz YLWPQJKOZIFXDG-UHFFFAOYSA-N 2 2 246.318 0.917 20 0 BCADLP CC(C)[C@H]([NH3+])c1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000381604132 398266196 /nfs/dbraw/zinc/26/61/96/398266196.db2.gz IAWWUQWUMSKTGM-JTQLQIEISA-N 2 2 220.280 0.705 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]2O)C[N@@H+]1C1CC1 ZINC000378751498 346827178 /nfs/dbraw/zinc/82/71/78/346827178.db2.gz VCUUSNTXWYEOBI-CNVPUSNMSA-N 2 2 210.321 0.725 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]2O)C[N@H+]1C1CC1 ZINC000378751498 346827181 /nfs/dbraw/zinc/82/71/81/346827181.db2.gz VCUUSNTXWYEOBI-CNVPUSNMSA-N 2 2 210.321 0.725 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCCC[C@@H]1O ZINC000378775066 346831834 /nfs/dbraw/zinc/83/18/34/346831834.db2.gz HHMJVPQJMCPFQY-KXNHARMFSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCCC[C@@H]1O ZINC000378775066 346831835 /nfs/dbraw/zinc/83/18/35/346831835.db2.gz HHMJVPQJMCPFQY-KXNHARMFSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000378775061 346831976 /nfs/dbraw/zinc/83/19/76/346831976.db2.gz HHMJVPQJMCPFQY-DDHJBXDOSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000378775061 346831978 /nfs/dbraw/zinc/83/19/78/346831978.db2.gz HHMJVPQJMCPFQY-DDHJBXDOSA-N 2 2 212.337 0.830 20 0 BCADLP CC(C)C[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000037264848 538962293 /nfs/dbraw/zinc/96/22/93/538962293.db2.gz FODFTVWWYWUDMU-GFCCVEGCSA-N 2 2 241.379 0.785 20 0 BCADLP CC(C)[C@H](C(=O)NCc1[nH]cc[nH+]1)[C@@H](C)[NH3+] ZINC000399569907 342738641 /nfs/dbraw/zinc/73/86/41/342738641.db2.gz JWDRJMBIPVGJGR-SCZZXKLOSA-N 2 2 224.308 0.645 20 0 BCADLP CC(C)[C@H](C(=O)NCc1[nH]cc[nH+]1)[C@H](C)[NH3+] ZINC000399569911 342738645 /nfs/dbraw/zinc/73/86/45/342738645.db2.gz JWDRJMBIPVGJGR-WPRPVWTQSA-N 2 2 224.308 0.645 20 0 BCADLP CC(C)[C@@H](C(=O)NCc1[nH]cc[nH+]1)[C@@H](C)[NH3+] ZINC000399569904 342738659 /nfs/dbraw/zinc/73/86/59/342738659.db2.gz JWDRJMBIPVGJGR-PSASIEDQSA-N 2 2 224.308 0.645 20 0 BCADLP CCC(CC)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000020037413 168387216 /nfs/dbraw/zinc/38/72/16/168387216.db2.gz QIZQJGFDZKXPOU-UHFFFAOYSA-N 2 2 227.352 0.539 20 0 BCADLP C[NH2+]C1(CNC(=O)c2c[nH+]c(C)[nH]2)CCC1 ZINC000629999805 361884966 /nfs/dbraw/zinc/88/49/66/361884966.db2.gz AQEBQPVSQJMYHB-UHFFFAOYSA-N 2 2 222.292 0.590 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C[N@H+](C)C1CCC1 ZINC000630015789 361902947 /nfs/dbraw/zinc/90/29/47/361902947.db2.gz HLWAKCZWFZGCRC-UHFFFAOYSA-N 2 2 236.319 0.852 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C[N@@H+](C)C1CCC1 ZINC000630015789 361902950 /nfs/dbraw/zinc/90/29/50/361902950.db2.gz HLWAKCZWFZGCRC-UHFFFAOYSA-N 2 2 236.319 0.852 20 0 BCADLP Cc1cccc(NCC[N@@H+]2CC[C@@H](O)C2)[nH+]1 ZINC000624678032 342818036 /nfs/dbraw/zinc/81/80/36/342818036.db2.gz BXGUTJTZZKCGPF-LLVKDONJSA-N 2 2 221.304 0.869 20 0 BCADLP Cc1cccc(NCC[N@H+]2CC[C@@H](O)C2)[nH+]1 ZINC000624678032 342818037 /nfs/dbraw/zinc/81/80/37/342818037.db2.gz BXGUTJTZZKCGPF-LLVKDONJSA-N 2 2 221.304 0.869 20 0 BCADLP Cc1cc(NC(=O)N(C)[C@@H]2CC[NH2+]C2)cc[nH+]1 ZINC000583982368 342823288 /nfs/dbraw/zinc/82/32/88/342823288.db2.gz OOXLGALHWYFUMQ-LLVKDONJSA-N 2 2 234.303 0.638 20 0 BCADLP Cn1cnnc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000162296193 349625473 /nfs/dbraw/zinc/62/54/73/349625473.db2.gz VPCWVRMNNATINW-UHFFFAOYSA-N 2 2 234.307 0.534 20 0 BCADLP Cn1cnnc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000162296193 349625474 /nfs/dbraw/zinc/62/54/74/349625474.db2.gz VPCWVRMNNATINW-UHFFFAOYSA-N 2 2 234.307 0.534 20 0 BCADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOC1 ZINC000449391287 398294131 /nfs/dbraw/zinc/29/41/31/398294131.db2.gz YADHHCUBVRARMG-CHWSQXEVSA-N 2 2 242.363 0.602 20 0 BCADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOC1 ZINC000449391287 398294134 /nfs/dbraw/zinc/29/41/34/398294134.db2.gz YADHHCUBVRARMG-CHWSQXEVSA-N 2 2 242.363 0.602 20 0 BCADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOC1 ZINC000449391288 398294243 /nfs/dbraw/zinc/29/42/43/398294243.db2.gz YADHHCUBVRARMG-OLZOCXBDSA-N 2 2 242.363 0.602 20 0 BCADLP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOC1 ZINC000449391288 398294245 /nfs/dbraw/zinc/29/42/45/398294245.db2.gz YADHHCUBVRARMG-OLZOCXBDSA-N 2 2 242.363 0.602 20 0 BCADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCOC2)C1 ZINC000449394787 398294753 /nfs/dbraw/zinc/29/47/53/398294753.db2.gz GRCBWHWCWXVWKQ-STQMWFEESA-N 2 2 242.363 0.602 20 0 BCADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@H]2CCCOC2)C1 ZINC000449394787 398294756 /nfs/dbraw/zinc/29/47/56/398294756.db2.gz GRCBWHWCWXVWKQ-STQMWFEESA-N 2 2 242.363 0.602 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCCn2cncn2)C[N@@H+]1C1CC1 ZINC000381882504 539007474 /nfs/dbraw/zinc/00/74/74/539007474.db2.gz HZPWSALYLTYDFP-VXGBXAGGSA-N 2 2 249.362 0.883 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCCn2cncn2)C[N@H+]1C1CC1 ZINC000381882504 539007475 /nfs/dbraw/zinc/00/74/75/539007475.db2.gz HZPWSALYLTYDFP-VXGBXAGGSA-N 2 2 249.362 0.883 20 0 BCADLP C[N@@H+]1CCO[C@H](CNc2cc[nH+]cc2F)C1 ZINC000381295575 538997548 /nfs/dbraw/zinc/99/75/48/538997548.db2.gz GFSDCOVNGXHMCA-SECBINFHSA-N 2 2 225.267 0.385 20 0 BCADLP C[N@H+]1CCO[C@H](CNc2cc[nH+]cc2F)C1 ZINC000381295575 538997550 /nfs/dbraw/zinc/99/75/50/538997550.db2.gz GFSDCOVNGXHMCA-SECBINFHSA-N 2 2 225.267 0.385 20 0 BCADLP Cc1nn(C)cc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000335644896 136243243 /nfs/dbraw/zinc/24/32/43/136243243.db2.gz XNGNWKXKQAHRJO-GFCCVEGCSA-N 2 2 222.336 0.960 20 0 BCADLP Cc1nn(C)cc1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000335646114 136244074 /nfs/dbraw/zinc/24/40/74/136244074.db2.gz LLMZYWSURJDQHQ-LLVKDONJSA-N 2 2 222.336 0.959 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779422 398309433 /nfs/dbraw/zinc/30/94/33/398309433.db2.gz PUQUSVZXLGGCGC-TXEJJXNPSA-N 2 2 221.304 0.770 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779422 398309435 /nfs/dbraw/zinc/30/94/35/398309435.db2.gz PUQUSVZXLGGCGC-TXEJJXNPSA-N 2 2 221.304 0.770 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000380231780 346885086 /nfs/dbraw/zinc/88/50/86/346885086.db2.gz REGHEZHHEHGQAL-RQJHMYQMSA-N 2 2 210.281 0.318 20 0 BCADLP C[C@H]([NH3+])CC(=O)NCCCn1cc[nH+]c1 ZINC000037476096 342936164 /nfs/dbraw/zinc/93/61/64/342936164.db2.gz PWPCLKIPZNMNJF-VIFPVBQESA-N 2 2 210.281 0.127 20 0 BCADLP CCn1ncnc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000392793201 398335388 /nfs/dbraw/zinc/33/53/88/398335388.db2.gz NQORGYAOLYLXLT-UHFFFAOYSA-N 2 2 235.335 0.650 20 0 BCADLP CCn1ncnc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392793201 398335389 /nfs/dbraw/zinc/33/53/89/398335389.db2.gz NQORGYAOLYLXLT-UHFFFAOYSA-N 2 2 235.335 0.650 20 0 BCADLP C[NH+](C)CC(=O)N1CC[NH+](CCCCF)CC1 ZINC000351844858 136256816 /nfs/dbraw/zinc/25/68/16/136256816.db2.gz NQNKNLDJCJWOME-UHFFFAOYSA-N 2 2 245.342 0.442 20 0 BCADLP CC[C@@H]([NH3+])CNC(=O)/C=C\c1[nH+]ccn1CC ZINC000493768846 529556388 /nfs/dbraw/zinc/55/63/88/529556388.db2.gz DUQFUJZFSGQKDQ-WWQCOOJYSA-N 2 2 236.319 0.770 20 0 BCADLP C[C@H](F)CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000351845105 136256878 /nfs/dbraw/zinc/25/68/78/136256878.db2.gz QMISMLKZWVMXCP-NSHDSACASA-N 2 2 245.342 0.440 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000493323411 529549818 /nfs/dbraw/zinc/54/98/18/529549818.db2.gz PTWJPYUKJSOALO-SGUJLRQBSA-N 2 2 248.330 0.737 20 0 BCADLP CCn1cc[nH+]c1CNC(=O)/C=C\C[NH+](C)C ZINC000493125531 529570448 /nfs/dbraw/zinc/57/04/48/529570448.db2.gz XWLZTVOIZHXMIQ-WAYWQWQTSA-N 2 2 236.319 0.637 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CC(=O)NCC2CC2)n1C ZINC000576836735 365700822 /nfs/dbraw/zinc/70/08/22/365700822.db2.gz ANOWEPQQCRNLEC-UHFFFAOYSA-N 2 2 236.319 0.344 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000049235051 343097112 /nfs/dbraw/zinc/09/71/12/343097112.db2.gz JQMBOWKGRKPJGH-VXGBXAGGSA-N 2 2 249.318 0.119 20 0 BCADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@H](C)O ZINC000049555751 343111644 /nfs/dbraw/zinc/11/16/44/343111644.db2.gz UIPATMXMVHCQPG-QWRGUYRKSA-N 2 2 202.342 0.933 20 0 BCADLP COC[C@](C)([NH3+])CNc1cc(C)[nH+]cn1 ZINC000308861740 346927792 /nfs/dbraw/zinc/92/77/92/346927792.db2.gz VNTBYXXHTHZHHT-SNVBAGLBSA-N 2 2 210.281 0.561 20 0 BCADLP C[NH+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000170040120 136270165 /nfs/dbraw/zinc/27/01/65/136270165.db2.gz ZEJYOHLTSWPYDT-NSHDSACASA-N 2 2 248.330 0.220 20 0 BCADLP CCn1cc[nH+]c1CN[C@@H](C)C[NH+](C)C ZINC000130313588 343180852 /nfs/dbraw/zinc/18/08/52/343180852.db2.gz HLGXPZRMRCWXBG-JTQLQIEISA-N 2 2 210.325 0.943 20 0 BCADLP C[C@]1(C(=O)Nc2ccc(N)[nH+]c2)CC[NH2+]C1 ZINC000237772746 343182000 /nfs/dbraw/zinc/18/20/00/343182000.db2.gz QAIOFFVLVAMVBB-NSHDSACASA-N 2 2 220.276 0.602 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000124507510 343162893 /nfs/dbraw/zinc/16/28/93/343162893.db2.gz WYMWKYJJVOZWPN-GRYCIOLGSA-N 2 2 241.379 0.959 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000124507510 343162896 /nfs/dbraw/zinc/16/28/96/343162896.db2.gz WYMWKYJJVOZWPN-GRYCIOLGSA-N 2 2 241.379 0.959 20 0 BCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000125152746 343166124 /nfs/dbraw/zinc/16/61/24/343166124.db2.gz YHHWPMHZTHPMNI-BDAKNGLRSA-N 2 2 222.292 0.066 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccn(C)n1 ZINC000123998756 343166404 /nfs/dbraw/zinc/16/64/04/343166404.db2.gz VFXUXLSBNKPFHJ-ZJUUUORDSA-N 2 2 208.309 0.732 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccn(C)n1 ZINC000123998756 343166407 /nfs/dbraw/zinc/16/64/07/343166407.db2.gz VFXUXLSBNKPFHJ-ZJUUUORDSA-N 2 2 208.309 0.732 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCCC[NH3+])C[N@@H+]1C1CC1 ZINC000229934469 136273938 /nfs/dbraw/zinc/27/39/38/136273938.db2.gz BUFJRTIURZXREK-QWRGUYRKSA-N 3 2 211.353 0.940 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCCC[NH3+])C[N@H+]1C1CC1 ZINC000229934469 136273939 /nfs/dbraw/zinc/27/39/39/136273939.db2.gz BUFJRTIURZXREK-QWRGUYRKSA-N 3 2 211.353 0.940 20 0 BCADLP C[C@@H](C(=O)NCCCCn1cc[nH+]c1)[C@H](C)[NH3+] ZINC000156862715 343199180 /nfs/dbraw/zinc/19/91/80/343199180.db2.gz MJWRTPLCAOJUMI-MNOVXSKESA-N 2 2 238.335 0.763 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@@H](C)CC[NH+](C)C ZINC000134852759 343191062 /nfs/dbraw/zinc/19/10/62/343191062.db2.gz KNULTAPTMONGOD-QMMMGPOBSA-N 2 2 239.323 0.820 20 0 BCADLP COc1c(N)nc[nH+]c1N[C@@H](C)CC[NH+](C)C ZINC000134852759 343191064 /nfs/dbraw/zinc/19/10/64/343191064.db2.gz KNULTAPTMONGOD-QMMMGPOBSA-N 2 2 239.323 0.820 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NC1CC1 ZINC000133597054 343191223 /nfs/dbraw/zinc/19/12/23/343191223.db2.gz WNCUZTMMGWPLRY-BDAKNGLRSA-N 2 2 211.309 0.077 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NC1CC1 ZINC000133597054 343191225 /nfs/dbraw/zinc/19/12/25/343191225.db2.gz WNCUZTMMGWPLRY-BDAKNGLRSA-N 2 2 211.309 0.077 20 0 BCADLP C[N@H+](CCOC[C@@H]1CCCO1)C1(C[NH3+])CCC1 ZINC000569723568 323038799 /nfs/dbraw/zinc/03/87/99/323038799.db2.gz CUBJIHFUCBPNBU-LBPRGKRZSA-N 2 2 242.363 0.995 20 0 BCADLP C[N@@H+](CCOC[C@@H]1CCCO1)C1(C[NH3+])CCC1 ZINC000569723568 323038800 /nfs/dbraw/zinc/03/88/00/323038800.db2.gz CUBJIHFUCBPNBU-LBPRGKRZSA-N 2 2 242.363 0.995 20 0 BCADLP COc1c(N)[nH+]cnc1NCCCn1cc[nH+]c1 ZINC000134795291 343195329 /nfs/dbraw/zinc/19/53/29/343195329.db2.gz KEBCLACUDZLXOO-UHFFFAOYSA-N 2 2 248.290 0.766 20 0 BCADLP c1[nH]cc(Cn2cc(C[C@@H]3CCC[NH2+]C3)nn2)[nH+]1 ZINC000641035284 362146343 /nfs/dbraw/zinc/14/63/43/362146343.db2.gz HDUPWYWUGGXKTP-JTQLQIEISA-N 2 2 246.318 0.592 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000228173136 136278415 /nfs/dbraw/zinc/27/84/15/136278415.db2.gz XIMMDOKLZQASOD-JQWIXIFHSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000228173136 136278416 /nfs/dbraw/zinc/27/84/16/136278416.db2.gz XIMMDOKLZQASOD-JQWIXIFHSA-N 2 2 223.320 0.894 20 0 BCADLP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000043802624 488208782 /nfs/dbraw/zinc/20/87/82/488208782.db2.gz YNTOVGVBAIDEBJ-UTUOFQBUSA-N 2 2 228.336 0.474 20 0 BCADLP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000043802624 488208785 /nfs/dbraw/zinc/20/87/85/488208785.db2.gz YNTOVGVBAIDEBJ-UTUOFQBUSA-N 2 2 228.336 0.474 20 0 BCADLP CCCC[C@H](C(=O)OC)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000608991200 343253080 /nfs/dbraw/zinc/25/30/80/343253080.db2.gz LHFKTZHDUVEXOV-SDDRHHMPSA-N 2 2 240.347 0.869 20 0 BCADLP CC[C@@](C)([NH3+])c1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641035508 362147451 /nfs/dbraw/zinc/14/74/51/362147451.db2.gz MFQGQYUGSOHKFL-SNVBAGLBSA-N 2 2 220.280 0.633 20 0 BCADLP Cc1cnc(CC[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)nc1 ZINC000340107499 136286189 /nfs/dbraw/zinc/28/61/89/136286189.db2.gz FCIILGCZASCVRD-RYUDHWBXSA-N 2 2 234.347 0.867 20 0 BCADLP Cc1cnc(CC[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)nc1 ZINC000340107499 136286190 /nfs/dbraw/zinc/28/61/90/136286190.db2.gz FCIILGCZASCVRD-RYUDHWBXSA-N 2 2 234.347 0.867 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000036999305 343330081 /nfs/dbraw/zinc/33/00/81/343330081.db2.gz JOWCBABBCYMHMW-UWVGGRQHSA-N 2 2 222.292 0.140 20 0 BCADLP CC(C)[C@@H]([NH3+])c1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000641054449 362163173 /nfs/dbraw/zinc/16/31/73/362163173.db2.gz ZOVFSSVHNTUMCD-LLVKDONJSA-N 2 2 234.307 0.716 20 0 BCADLP Cn1c[nH+]c(Cn2cc([C@H]3CCC[NH2+]C3)nn2)c1 ZINC000641054364 362163816 /nfs/dbraw/zinc/16/38/16/362163816.db2.gz XLLUNTBIFCHROM-JTQLQIEISA-N 2 2 246.318 0.527 20 0 BCADLP C[N@H+](CC(=O)N1CCCC1)C1CC[NH2+]CC1 ZINC000036301443 343314710 /nfs/dbraw/zinc/31/47/10/343314710.db2.gz OSHDVIITVVTRMT-UHFFFAOYSA-N 2 2 225.336 0.293 20 0 BCADLP C[N@@H+](CC(=O)N1CCCC1)C1CC[NH2+]CC1 ZINC000036301443 343314711 /nfs/dbraw/zinc/31/47/11/343314711.db2.gz OSHDVIITVVTRMT-UHFFFAOYSA-N 2 2 225.336 0.293 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnn(C)c1 ZINC000037157032 343337581 /nfs/dbraw/zinc/33/75/81/343337581.db2.gz BLLYGNFYZJIZDU-SNVBAGLBSA-N 2 2 219.292 0.795 20 0 BCADLP Cn1c[nH+]cc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335669732 136312548 /nfs/dbraw/zinc/31/25/48/136312548.db2.gz JOUXWJBOLQSOQZ-CYBMUJFWSA-N 2 2 234.347 0.996 20 0 BCADLP Cn1cncc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335669732 136312549 /nfs/dbraw/zinc/31/25/49/136312549.db2.gz JOUXWJBOLQSOQZ-CYBMUJFWSA-N 2 2 234.347 0.996 20 0 BCADLP Cn1cncc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335669732 136312550 /nfs/dbraw/zinc/31/25/50/136312550.db2.gz JOUXWJBOLQSOQZ-CYBMUJFWSA-N 2 2 234.347 0.996 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000082419918 343440701 /nfs/dbraw/zinc/44/07/01/343440701.db2.gz LXTXLROFABQGEM-VHSXEESVSA-N 2 2 214.309 0.479 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000082419918 343440703 /nfs/dbraw/zinc/44/07/03/343440703.db2.gz LXTXLROFABQGEM-VHSXEESVSA-N 2 2 214.309 0.479 20 0 BCADLP Cc1nn(C)cc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000335713363 136338294 /nfs/dbraw/zinc/33/82/94/136338294.db2.gz NGRWGSXOWIMYBK-UHFFFAOYSA-N 2 2 222.336 0.912 20 0 BCADLP Cc1nn(C)cc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000335713363 136338295 /nfs/dbraw/zinc/33/82/95/136338295.db2.gz NGRWGSXOWIMYBK-UHFFFAOYSA-N 2 2 222.336 0.912 20 0 BCADLP c1cn(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c[nH+]1 ZINC000335715905 136339152 /nfs/dbraw/zinc/33/91/52/136339152.db2.gz LIESHRKTUYSLGH-PHIMTYICSA-N 2 2 207.277 0.746 20 0 BCADLP c1cn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c[nH+]1 ZINC000335715905 136339153 /nfs/dbraw/zinc/33/91/53/136339153.db2.gz LIESHRKTUYSLGH-PHIMTYICSA-N 2 2 207.277 0.746 20 0 BCADLP C[C@H](C[NH2+]C[C@H]1CCCOC1)[NH+](C)C ZINC000082581123 343452511 /nfs/dbraw/zinc/45/25/11/343452511.db2.gz KIZWYVGAAIXQQP-GHMZBOCLSA-N 2 2 200.326 0.953 20 0 BCADLP Cn1ncc2c1nc[nH+]c2NCC[C@H]1CCC[NH2+]1 ZINC000166840733 136364122 /nfs/dbraw/zinc/36/41/22/136364122.db2.gz CDJGPVQJJKWXAU-SECBINFHSA-N 2 2 246.318 0.917 20 0 BCADLP CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351114068 136367954 /nfs/dbraw/zinc/36/79/54/136367954.db2.gz JPUWETJXFVCODU-YFKTTZPYSA-N 2 2 239.363 0.700 20 0 BCADLP c1cn(CCn2cc(C[C@@H]3CC[NH2+]C3)nn2)c[nH+]1 ZINC000641124013 362230984 /nfs/dbraw/zinc/23/09/84/362230984.db2.gz RYGLAJPVBSHOBT-NSHDSACASA-N 2 2 246.318 0.327 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000310442272 343496736 /nfs/dbraw/zinc/49/67/36/343496736.db2.gz WCTTUXRNAPDSAM-JQWIXIFHSA-N 2 2 240.351 0.383 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000310442272 343496738 /nfs/dbraw/zinc/49/67/38/343496738.db2.gz WCTTUXRNAPDSAM-JQWIXIFHSA-N 2 2 240.351 0.383 20 0 BCADLP CNC(=O)CCC[NH2+]Cc1c[nH+]c(C)n1C ZINC000570060856 323048900 /nfs/dbraw/zinc/04/89/00/323048900.db2.gz UWEMRBMKDSUEIY-UHFFFAOYSA-N 2 2 224.308 0.344 20 0 BCADLP OC1(C[NH2+]CCn2cc[nH+]c2)CCCC1 ZINC000083587004 343489914 /nfs/dbraw/zinc/48/99/14/343489914.db2.gz QBPGKIDYEFSZIM-UHFFFAOYSA-N 2 2 209.293 0.778 20 0 BCADLP C[NH+](C)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000082943701 343472293 /nfs/dbraw/zinc/47/22/93/343472293.db2.gz FLRXZNLSQCUWQQ-AXFHLTTASA-N 2 2 212.337 0.951 20 0 BCADLP CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)CC1CC1 ZINC000310547265 343529730 /nfs/dbraw/zinc/52/97/30/343529730.db2.gz SSXWCOVFBGHZQY-ZDUSSCGKSA-N 2 2 244.379 0.657 20 0 BCADLP CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)CC1CC1 ZINC000310547265 343529733 /nfs/dbraw/zinc/52/97/33/343529733.db2.gz SSXWCOVFBGHZQY-ZDUSSCGKSA-N 2 2 244.379 0.657 20 0 BCADLP CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)CC1CC1 ZINC000310547265 343529736 /nfs/dbraw/zinc/52/97/36/343529736.db2.gz SSXWCOVFBGHZQY-ZDUSSCGKSA-N 2 2 244.379 0.657 20 0 BCADLP CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)CC1CC1 ZINC000310547265 343529740 /nfs/dbraw/zinc/52/97/40/343529740.db2.gz SSXWCOVFBGHZQY-ZDUSSCGKSA-N 2 2 244.379 0.657 20 0 BCADLP CCC[N@H+](CCC[NH3+])CC(=O)OCC ZINC000071048306 343594364 /nfs/dbraw/zinc/59/43/64/343594364.db2.gz XYDAVAXIVSLUAM-UHFFFAOYSA-N 2 2 202.298 0.610 20 0 BCADLP CCC[N@@H+](CCC[NH3+])CC(=O)OCC ZINC000071048306 343594366 /nfs/dbraw/zinc/59/43/66/343594366.db2.gz XYDAVAXIVSLUAM-UHFFFAOYSA-N 2 2 202.298 0.610 20 0 BCADLP C[N@@H+]1CC[C@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492807446 529803093 /nfs/dbraw/zinc/80/30/93/529803093.db2.gz BEPQXYITEYEGNG-MXQLGCADSA-N 2 2 234.303 0.491 20 0 BCADLP C[N@H+]1CC[C@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492807446 529803094 /nfs/dbraw/zinc/80/30/94/529803094.db2.gz BEPQXYITEYEGNG-MXQLGCADSA-N 2 2 234.303 0.491 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CN1CCc2[nH+]c[nH]c2C1 ZINC000625434762 343735946 /nfs/dbraw/zinc/73/59/46/343735946.db2.gz HMOWESFIEYCMTL-SNVBAGLBSA-N 2 2 220.320 0.862 20 0 BCADLP C[N@H+]1CCC[C@@H]1CN1CCc2[nH+]c[nH]c2C1 ZINC000625434762 343735947 /nfs/dbraw/zinc/73/59/47/343735947.db2.gz HMOWESFIEYCMTL-SNVBAGLBSA-N 2 2 220.320 0.862 20 0 BCADLP C[NH2+]C[C@H](C)C(=O)NCCNc1cccc[nH+]1 ZINC000577059514 365797612 /nfs/dbraw/zinc/79/76/12/365797612.db2.gz UYHJRJDBCWQQDW-JTQLQIEISA-N 2 2 236.319 0.465 20 0 BCADLP CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1CC1 ZINC000381042228 343878386 /nfs/dbraw/zinc/87/83/86/343878386.db2.gz GHJZTCRSIBGCTL-GFCCVEGCSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1CC1 ZINC000381042228 343878388 /nfs/dbraw/zinc/87/83/88/343878388.db2.gz GHJZTCRSIBGCTL-GFCCVEGCSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1CC1 ZINC000381042228 343878390 /nfs/dbraw/zinc/87/83/90/343878390.db2.gz GHJZTCRSIBGCTL-GFCCVEGCSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1CC1 ZINC000381042228 343878392 /nfs/dbraw/zinc/87/83/92/343878392.db2.gz GHJZTCRSIBGCTL-GFCCVEGCSA-N 2 2 230.352 0.410 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCn1cccn1)C2 ZINC000621781184 343906132 /nfs/dbraw/zinc/90/61/32/343906132.db2.gz ABDYVGAYGXDSJA-NEPJUHHUSA-N 2 2 220.320 0.696 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCn1cccn1)C2 ZINC000621781184 343906133 /nfs/dbraw/zinc/90/61/33/343906133.db2.gz ABDYVGAYGXDSJA-NEPJUHHUSA-N 2 2 220.320 0.696 20 0 BCADLP Cc1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)o1 ZINC000125909751 178612352 /nfs/dbraw/zinc/61/23/52/178612352.db2.gz FPZIVQHJDQBRMS-GFCCVEGCSA-N 2 2 226.320 0.990 20 0 BCADLP C[C@H](O)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625544299 343931595 /nfs/dbraw/zinc/93/15/95/343931595.db2.gz NWIOPEIHFYSQQI-NSHDSACASA-N 2 2 228.336 0.164 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+](CCOC)C1CC1 ZINC000381072038 343933984 /nfs/dbraw/zinc/93/39/84/343933984.db2.gz OQOVVXXIJMWKAB-GFCCVEGCSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](CCOC)C1CC1 ZINC000381072038 343933988 /nfs/dbraw/zinc/93/39/88/343933988.db2.gz OQOVVXXIJMWKAB-GFCCVEGCSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](CCOC)C1CC1 ZINC000381072038 343933991 /nfs/dbraw/zinc/93/39/91/343933991.db2.gz OQOVVXXIJMWKAB-GFCCVEGCSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CCOC)C1CC1 ZINC000381072038 343933993 /nfs/dbraw/zinc/93/39/93/343933993.db2.gz OQOVVXXIJMWKAB-GFCCVEGCSA-N 2 2 230.352 0.410 20 0 BCADLP CCc1cc(NC[C@@H]2COCC[N@@H+]2C)cc[nH+]1 ZINC000624622191 344109706 /nfs/dbraw/zinc/10/97/06/344109706.db2.gz SRPWLSOQOVXWLV-CYBMUJFWSA-N 2 2 235.331 0.808 20 0 BCADLP CCc1cc(NC[C@@H]2COCC[N@H+]2C)cc[nH+]1 ZINC000624622191 344109707 /nfs/dbraw/zinc/10/97/07/344109707.db2.gz SRPWLSOQOVXWLV-CYBMUJFWSA-N 2 2 235.331 0.808 20 0 BCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493174982 529965927 /nfs/dbraw/zinc/96/59/27/529965927.db2.gz YNIYOLUBGILSBV-FOQNGQEVSA-N 2 2 248.330 0.976 20 0 BCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493174982 529965928 /nfs/dbraw/zinc/96/59/28/529965928.db2.gz YNIYOLUBGILSBV-FOQNGQEVSA-N 2 2 248.330 0.976 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCc1ccnn1C ZINC000385181560 344366844 /nfs/dbraw/zinc/36/68/44/344366844.db2.gz IYTAFNDFMBSZKM-ZJUUUORDSA-N 2 2 208.309 0.384 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCc1ccnn1C ZINC000385181560 344366846 /nfs/dbraw/zinc/36/68/46/344366846.db2.gz IYTAFNDFMBSZKM-ZJUUUORDSA-N 2 2 208.309 0.384 20 0 BCADLP CCOC(=O)[C@@H](C)[N@H+](C)CCOCC[NH2+]C ZINC000600725571 344363731 /nfs/dbraw/zinc/36/37/31/344363731.db2.gz FLOLVBXIWXCGKL-SNVBAGLBSA-N 2 2 232.324 0.106 20 0 BCADLP CCOC(=O)[C@@H](C)[N@@H+](C)CCOCC[NH2+]C ZINC000600725571 344363734 /nfs/dbraw/zinc/36/37/34/344363734.db2.gz FLOLVBXIWXCGKL-SNVBAGLBSA-N 2 2 232.324 0.106 20 0 BCADLP COCCOCC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000385227396 344378829 /nfs/dbraw/zinc/37/88/29/344378829.db2.gz IHJNWOAZYKLULL-UWVGGRQHSA-N 2 2 202.298 0.071 20 0 BCADLP COCCOCC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000385227396 344378830 /nfs/dbraw/zinc/37/88/30/344378830.db2.gz IHJNWOAZYKLULL-UWVGGRQHSA-N 2 2 202.298 0.071 20 0 BCADLP CCn1cc[nH+]c1CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000300049516 344380502 /nfs/dbraw/zinc/38/05/02/344380502.db2.gz SIXPAJOLHSVPPJ-NXEZZACHSA-N 2 2 208.309 0.682 20 0 BCADLP C[C@H]1C[C@@H](Nc2nc[nH+]c3c2OCCN3)CC[NH2+]1 ZINC000634808479 344393296 /nfs/dbraw/zinc/39/32/96/344393296.db2.gz UQGUQRKRLMKLRB-IUCAKERBSA-N 2 2 249.318 0.833 20 0 BCADLP C[C@H]1C[C@@H](Nc2[nH+]cnc3c2OCCN3)CC[NH2+]1 ZINC000634808479 344393298 /nfs/dbraw/zinc/39/32/98/344393298.db2.gz UQGUQRKRLMKLRB-IUCAKERBSA-N 2 2 249.318 0.833 20 0 BCADLP c1nc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc(NC2CC2)[nH+]1 ZINC000634810408 344394905 /nfs/dbraw/zinc/39/49/05/344394905.db2.gz WSDBVJNBZBEHPN-GDGBQDQQSA-N 2 2 231.303 0.681 20 0 BCADLP c1nc(NC2CC2)cc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[nH+]1 ZINC000634810408 344394907 /nfs/dbraw/zinc/39/49/07/344394907.db2.gz WSDBVJNBZBEHPN-GDGBQDQQSA-N 2 2 231.303 0.681 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)Nc1nc[nH+]c2c1OCCN2 ZINC000634810077 344394985 /nfs/dbraw/zinc/39/49/85/344394985.db2.gz LMIUJKCIVSKWEO-RQJHMYQMSA-N 2 2 223.280 0.429 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)[NH3+] ZINC000040921047 344410948 /nfs/dbraw/zinc/41/09/48/344410948.db2.gz UBLFPRHEUIEKLF-QMMMGPOBSA-N 2 2 210.281 0.125 20 0 BCADLP Cc1c[nH]c(CN2CC[C@H]3C[N@H+](C)C[C@@H]32)[nH+]1 ZINC000628291868 347051894 /nfs/dbraw/zinc/05/18/94/347051894.db2.gz YDELSNOARHYGCG-QWRGUYRKSA-N 2 2 220.320 0.854 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000572659707 323072700 /nfs/dbraw/zinc/07/27/00/323072700.db2.gz NWSIMJGKJXQGCQ-MNOVXSKESA-N 2 2 218.316 0.733 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](C)(F)C1 ZINC000572659707 323072701 /nfs/dbraw/zinc/07/27/01/323072701.db2.gz NWSIMJGKJXQGCQ-MNOVXSKESA-N 2 2 218.316 0.733 20 0 BCADLP CN(C)C(=O)C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000043493525 344520757 /nfs/dbraw/zinc/52/07/57/344520757.db2.gz YSJYUFBPXUJLPO-JTQLQIEISA-N 2 2 213.325 0.006 20 0 BCADLP CN(C)C(=O)C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000043493525 344520759 /nfs/dbraw/zinc/52/07/59/344520759.db2.gz YSJYUFBPXUJLPO-JTQLQIEISA-N 2 2 213.325 0.006 20 0 BCADLP CN(C)C(=O)C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000043493522 344520944 /nfs/dbraw/zinc/52/09/44/344520944.db2.gz YSJYUFBPXUJLPO-SNVBAGLBSA-N 2 2 213.325 0.006 20 0 BCADLP CN(C)C(=O)C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000043493522 344520946 /nfs/dbraw/zinc/52/09/46/344520946.db2.gz YSJYUFBPXUJLPO-SNVBAGLBSA-N 2 2 213.325 0.006 20 0 BCADLP Cn1ccnc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044530352 344541424 /nfs/dbraw/zinc/54/14/24/344541424.db2.gz FCAPOEHDNWAZKI-SNVBAGLBSA-N 2 2 208.309 0.591 20 0 BCADLP Cn1ccnc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044530352 344541426 /nfs/dbraw/zinc/54/14/26/344541426.db2.gz FCAPOEHDNWAZKI-SNVBAGLBSA-N 2 2 208.309 0.591 20 0 BCADLP Cn1cc[nH+]c1CN1CCC[C@H](C[NH3+])C1 ZINC000044530352 344541429 /nfs/dbraw/zinc/54/14/29/344541429.db2.gz FCAPOEHDNWAZKI-SNVBAGLBSA-N 2 2 208.309 0.591 20 0 BCADLP O=C([C@H]1CCC[NH2+]1)N1CC[NH+](C2CC2)CC1 ZINC000037826971 344593290 /nfs/dbraw/zinc/59/32/90/344593290.db2.gz AVYPSIJEAUFORR-LLVKDONJSA-N 2 2 223.320 0.045 20 0 BCADLP COC(=O)CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000050067802 344719203 /nfs/dbraw/zinc/71/92/03/344719203.db2.gz JVFMJVCODAKYKY-UHFFFAOYSA-N 2 2 225.292 0.768 20 0 BCADLP COC(=O)CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000050067802 344719205 /nfs/dbraw/zinc/71/92/05/344719205.db2.gz JVFMJVCODAKYKY-UHFFFAOYSA-N 2 2 225.292 0.768 20 0 BCADLP C[N@H+]1CC=C(CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492813223 530047326 /nfs/dbraw/zinc/04/73/26/530047326.db2.gz OXALUPPTKHSEEH-IHWYPQMZSA-N 2 2 246.314 0.801 20 0 BCADLP C[N@@H+]1CC=C(CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492813223 530047327 /nfs/dbraw/zinc/04/73/27/530047327.db2.gz OXALUPPTKHSEEH-IHWYPQMZSA-N 2 2 246.314 0.801 20 0 BCADLP C[NH+]1CCC(NC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493668585 530049744 /nfs/dbraw/zinc/04/97/44/530049744.db2.gz ZWGZSJRSCIYJGN-NSCUHMNNSA-N 2 2 234.303 0.633 20 0 BCADLP C[N@@H+]1CCCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493702407 530053182 /nfs/dbraw/zinc/05/31/82/530053182.db2.gz BISPCSQCKAVBLD-ONEGZZNKSA-N 2 2 234.303 0.587 20 0 BCADLP C[N@H+]1CCCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493702407 530053183 /nfs/dbraw/zinc/05/31/83/530053183.db2.gz BISPCSQCKAVBLD-ONEGZZNKSA-N 2 2 234.303 0.587 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000400543078 530071277 /nfs/dbraw/zinc/07/12/77/530071277.db2.gz GKBUIZOZRJTQLC-CHWSQXEVSA-N 2 2 241.379 0.248 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000400543078 530071278 /nfs/dbraw/zinc/07/12/78/530071278.db2.gz GKBUIZOZRJTQLC-CHWSQXEVSA-N 2 2 241.379 0.248 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631113825 344928181 /nfs/dbraw/zinc/92/81/81/344928181.db2.gz MJDJDZNCCJRHAT-UHFFFAOYSA-N 2 2 239.319 0.191 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631113825 344928183 /nfs/dbraw/zinc/92/81/83/344928183.db2.gz MJDJDZNCCJRHAT-UHFFFAOYSA-N 2 2 239.319 0.191 20 0 BCADLP COC[C@@H](C)C[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000583421820 344934328 /nfs/dbraw/zinc/93/43/28/344934328.db2.gz UKNNWAWLXIVZOG-QWHCGFSZSA-N 2 2 244.379 0.705 20 0 BCADLP COC[C@@H](C)C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000583421820 344934331 /nfs/dbraw/zinc/93/43/31/344934331.db2.gz UKNNWAWLXIVZOG-QWHCGFSZSA-N 2 2 244.379 0.705 20 0 BCADLP CCn1cc([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)cn1 ZINC000154325390 345024706 /nfs/dbraw/zinc/02/47/06/345024706.db2.gz CGECPWLVMJIFPB-CMPLNLGQSA-N 2 2 240.351 0.476 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH2+]C1CC[NH+](C)CC1)C1CC1 ZINC000310430733 259382522 /nfs/dbraw/zinc/38/25/22/259382522.db2.gz SPVPHGLQGPEFSJ-ZDUSSCGKSA-N 3 2 241.379 0.125 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH2+]C1CC[NH+](C)CC1)C1CC1 ZINC000310430733 259382523 /nfs/dbraw/zinc/38/25/23/259382523.db2.gz SPVPHGLQGPEFSJ-ZDUSSCGKSA-N 3 2 241.379 0.125 20 0 BCADLP O=C1[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C[C@@H]2CCCCN12 ZINC000634996823 345182526 /nfs/dbraw/zinc/18/25/26/345182526.db2.gz WCGAJJYAJANORN-MRFPXMQZSA-N 2 2 249.358 0.481 20 0 BCADLP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634995815 345185955 /nfs/dbraw/zinc/18/59/55/345185955.db2.gz PNJDBKHBOFUSHK-VOBJUBJWSA-N 3 2 209.337 0.326 20 0 BCADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCNC(=O)CC1 ZINC000634949511 345125917 /nfs/dbraw/zinc/12/59/17/345125917.db2.gz STKRWPWPZLNSNL-SNVBAGLBSA-N 2 2 227.352 0.585 20 0 BCADLP C[C@H](C[NH2+][C@@H]1CCNC(=O)CC1)[NH+](C)C ZINC000634959239 345133313 /nfs/dbraw/zinc/13/33/13/345133313.db2.gz LOAIKDNEKDQXAI-ZJUUUORDSA-N 2 2 213.325 0.195 20 0 BCADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCNC(=O)CC1 ZINC000634961121 345135711 /nfs/dbraw/zinc/13/57/11/345135711.db2.gz LNQYXXNPHCZTFR-GFCCVEGCSA-N 2 2 241.379 0.977 20 0 BCADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCNC(=O)CC1 ZINC000634961121 345135712 /nfs/dbraw/zinc/13/57/12/345135712.db2.gz LNQYXXNPHCZTFR-GFCCVEGCSA-N 2 2 241.379 0.977 20 0 BCADLP CC(C)[C@H](C[NH3+])C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634996421 345188366 /nfs/dbraw/zinc/18/83/66/345188366.db2.gz JFRMVSKGKIMMJJ-MOENNCHZSA-N 3 2 211.353 0.559 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000634996579 345188630 /nfs/dbraw/zinc/18/86/30/345188630.db2.gz OIKGNHTWLUKEMF-VXGBXAGGSA-N 3 2 229.368 0.267 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000634996579 345188633 /nfs/dbraw/zinc/18/86/33/345188633.db2.gz OIKGNHTWLUKEMF-VXGBXAGGSA-N 3 2 229.368 0.267 20 0 BCADLP c1cn([C@H]2CCC[N@@H+](CC34CC(C3)C[NH2+]4)C2)nn1 ZINC000634996720 345192162 /nfs/dbraw/zinc/19/21/62/345192162.db2.gz RWRHLOVDWRWJFM-CPCZMJQVSA-N 2 2 247.346 0.667 20 0 BCADLP c1cn([C@H]2CCC[N@H+](CC34CC(C3)C[NH2+]4)C2)nn1 ZINC000634996720 345192164 /nfs/dbraw/zinc/19/21/64/345192164.db2.gz RWRHLOVDWRWJFM-CPCZMJQVSA-N 2 2 247.346 0.667 20 0 BCADLP CC(C)[C@@H](C[NH3+])C[NH2+]CC1([NH3+])CCOCC1 ZINC000634997137 345193971 /nfs/dbraw/zinc/19/39/71/345193971.db2.gz DRXRVQDJPFOLPG-NSHDSACASA-N 3 2 229.368 0.315 20 0 BCADLP CC(C)[C@H](C[NH3+])C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000634997888 345202850 /nfs/dbraw/zinc/20/28/50/345202850.db2.gz VLAYDZFDBOSTOO-UTUOFQBUSA-N 3 2 213.369 0.947 20 0 BCADLP C[C@]1(C[NH+]2CCC([NH2+]CCO)CC2)CC[NH2+]C1 ZINC000635002222 345204216 /nfs/dbraw/zinc/20/42/16/345204216.db2.gz LDVWWWMTBSYBFV-ZDUSSCGKSA-N 3 2 241.379 0.032 20 0 BCADLP CCn1cc[nH+]c1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635002614 345204611 /nfs/dbraw/zinc/20/46/11/345204611.db2.gz VMJLOJQQLUECJP-PHIMTYICSA-N 2 2 220.320 0.839 20 0 BCADLP C[N@@H+]1CC[C@@H](CC(=O)NCCn2cc[nH+]c2)C1 ZINC000635282056 345293924 /nfs/dbraw/zinc/29/39/24/345293924.db2.gz TYSUDDUGWOMSSX-NSHDSACASA-N 2 2 236.319 0.341 20 0 BCADLP C[N@H+]1CC[C@@H](CC(=O)NCCn2cc[nH+]c2)C1 ZINC000635282056 345293926 /nfs/dbraw/zinc/29/39/26/345293926.db2.gz TYSUDDUGWOMSSX-NSHDSACASA-N 2 2 236.319 0.341 20 0 BCADLP CC[C@]1(C(=O)NCCc2[nH]cc[nH+]2)CCC[NH2+]1 ZINC000158285221 345313818 /nfs/dbraw/zinc/31/38/18/345313818.db2.gz PAVVPJLBSNUVMO-GFCCVEGCSA-N 2 2 236.319 0.601 20 0 BCADLP O=C(NCCc1[nH]cc[nH+]1)[C@H]1CCCC[NH2+]1 ZINC000158541004 345347161 /nfs/dbraw/zinc/34/71/61/345347161.db2.gz OSAYHWZFEOMYNY-SECBINFHSA-N 2 2 222.292 0.211 20 0 BCADLP O=C(C[C@H]1CCC[NH2+]1)NCCc1[nH]cc[nH+]1 ZINC000158548972 345350711 /nfs/dbraw/zinc/35/07/11/345350711.db2.gz OLKUDUJEIJZXNE-SECBINFHSA-N 2 2 222.292 0.211 20 0 BCADLP C[NH+]1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000159591049 345444163 /nfs/dbraw/zinc/44/41/63/345444163.db2.gz DMHAAWNEWNIDRB-GFCCVEGCSA-N 2 2 225.336 0.293 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cn[nH]c1 ZINC000393603733 345555886 /nfs/dbraw/zinc/55/58/86/345555886.db2.gz AKJYPYVNPDMYHD-VIFPVBQESA-N 2 2 205.265 0.785 20 0 BCADLP Cn1nncc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043106 345614605 /nfs/dbraw/zinc/61/46/05/345614605.db2.gz GBYBYJINFSHWMD-YPMHNXCESA-N 2 2 249.362 0.731 20 0 BCADLP Cn1nncc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043106 345614608 /nfs/dbraw/zinc/61/46/08/345614608.db2.gz GBYBYJINFSHWMD-YPMHNXCESA-N 2 2 249.362 0.731 20 0 BCADLP Cn1nncc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000092043106 345614611 /nfs/dbraw/zinc/61/46/11/345614611.db2.gz GBYBYJINFSHWMD-YPMHNXCESA-N 2 2 249.362 0.731 20 0 BCADLP Cn1nncc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000092043106 345614613 /nfs/dbraw/zinc/61/46/13/345614613.db2.gz GBYBYJINFSHWMD-YPMHNXCESA-N 2 2 249.362 0.731 20 0 BCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(F)cn1 ZINC000092747266 345642232 /nfs/dbraw/zinc/64/22/32/345642232.db2.gz HVOOELAIZXUMGP-KOLCDFICSA-N 2 2 241.310 0.794 20 0 BCADLP c1nc(N2CCC[NH2+]CC2)cc(NC2CC2)[nH+]1 ZINC000117069946 345678162 /nfs/dbraw/zinc/67/81/62/345678162.db2.gz ASSRLJUDPWVKRJ-UHFFFAOYSA-N 2 2 233.319 0.851 20 0 BCADLP CN(C)c1ncc(C[N@H+](C)CCC[NH3+])cn1 ZINC000563129483 323094263 /nfs/dbraw/zinc/09/42/63/323094263.db2.gz CIXPBOOZRZGYCC-UHFFFAOYSA-N 2 2 223.324 0.323 20 0 BCADLP CN(C)c1ncc(C[N@@H+](C)CCC[NH3+])cn1 ZINC000563129483 323094264 /nfs/dbraw/zinc/09/42/64/323094264.db2.gz CIXPBOOZRZGYCC-UHFFFAOYSA-N 2 2 223.324 0.323 20 0 BCADLP Cn1c[nH+]cc1CCC(=O)N1CC[NH+](C)CC1 ZINC000098193022 345690402 /nfs/dbraw/zinc/69/04/02/345690402.db2.gz FBYHEXFABVKSEO-UHFFFAOYSA-N 2 2 236.319 0.127 20 0 BCADLP CC(C)[C@H](C(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC000206533527 345734484 /nfs/dbraw/zinc/73/44/84/345734484.db2.gz SMCXWWYOEJUGOD-LLVKDONJSA-N 2 2 227.352 0.347 20 0 BCADLP O=C(NCc1c[nH+]c[nH]1)C12CCC[NH+](CCC1)C2 ZINC000635589537 345883074 /nfs/dbraw/zinc/88/30/74/345883074.db2.gz PUFJEIYPBRTRBH-UHFFFAOYSA-N 2 2 248.330 0.902 20 0 BCADLP O=C(NCc1c[nH]c[nH+]1)C12CCC[NH+](CCC1)C2 ZINC000635589537 345883079 /nfs/dbraw/zinc/88/30/79/345883079.db2.gz PUFJEIYPBRTRBH-UHFFFAOYSA-N 2 2 248.330 0.902 20 0 BCADLP CCOC(=O)CCCC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000143465318 345902157 /nfs/dbraw/zinc/90/21/57/345902157.db2.gz ZKGNXQKVIQRDEK-NSHDSACASA-N 2 2 244.335 0.379 20 0 BCADLP CCOC(=O)CCCC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000143465318 345902161 /nfs/dbraw/zinc/90/21/61/345902161.db2.gz ZKGNXQKVIQRDEK-NSHDSACASA-N 2 2 244.335 0.379 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]CC1(C)CC1 ZINC000380303948 345945237 /nfs/dbraw/zinc/94/52/37/345945237.db2.gz FFJRQKBFKPTQKJ-NSHDSACASA-N 2 2 211.353 0.622 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]CC1(C)CC1 ZINC000380303948 345945238 /nfs/dbraw/zinc/94/52/38/345945238.db2.gz FFJRQKBFKPTQKJ-NSHDSACASA-N 2 2 211.353 0.622 20 0 BCADLP C[C@H](C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C)[NH+](C)C ZINC000635756717 346051175 /nfs/dbraw/zinc/05/11/75/346051175.db2.gz ICHKKQPBEYPIFO-GARJFASQSA-N 2 2 227.352 0.488 20 0 BCADLP C[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1[nH+]ccn1C ZINC000662935782 537935754 /nfs/dbraw/zinc/93/57/54/537935754.db2.gz ZQFKHAWVVTZUKS-ZJUUUORDSA-N 2 2 236.319 0.739 20 0 BCADLP CCc1c[nH]c(CC(=O)NCC[NH+]2CCC2)[nH+]1 ZINC000635722512 346030628 /nfs/dbraw/zinc/03/06/28/346030628.db2.gz BDDULXTZLHLLFM-UHFFFAOYSA-N 2 2 236.319 0.337 20 0 BCADLP C[C@H](C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)[NH+](C)C ZINC000635994602 346144274 /nfs/dbraw/zinc/14/42/74/346144274.db2.gz HIHLHBHLFKOOKV-OPRDCNLKSA-N 2 2 236.319 0.955 20 0 BCADLP C[C@H](C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)[NH+](C)C ZINC000635994592 346144310 /nfs/dbraw/zinc/14/43/10/346144310.db2.gz HIHLHBHLFKOOKV-AEJSXWLSSA-N 2 2 236.319 0.955 20 0 BCADLP C[C@H](C(=O)NC(C)(C)c1[nH]cc[nH+]1)[NH+](C)C ZINC000635999052 346150142 /nfs/dbraw/zinc/15/01/42/346150142.db2.gz RVQDJVZDZGMOKA-MRVPVSSYSA-N 2 2 224.308 0.711 20 0 BCADLP Cc1c[nH]c(CN2CC[N@H+](CCO)[C@H](C)C2)[nH+]1 ZINC000628241585 346200970 /nfs/dbraw/zinc/20/09/70/346200970.db2.gz AWWBZGBKLDNZPV-LLVKDONJSA-N 2 2 238.335 0.217 20 0 BCADLP Cc1c[nH]c(CN2CC[N@@H+](CCO)[C@H](C)C2)[nH+]1 ZINC000628241585 346200973 /nfs/dbraw/zinc/20/09/73/346200973.db2.gz AWWBZGBKLDNZPV-LLVKDONJSA-N 2 2 238.335 0.217 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](CO)C1 ZINC000051887151 346194159 /nfs/dbraw/zinc/19/41/59/346194159.db2.gz MRTYUEGZEAGLAK-LLVKDONJSA-N 2 2 209.293 0.506 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](CO)C1 ZINC000051887151 346194161 /nfs/dbraw/zinc/19/41/61/346194161.db2.gz MRTYUEGZEAGLAK-LLVKDONJSA-N 2 2 209.293 0.506 20 0 BCADLP CC1(C)C[N@H+](CCn2cc[nH+]c2)C[C@@H]1O ZINC000279694373 346257518 /nfs/dbraw/zinc/25/75/18/346257518.db2.gz GJNLIBAZVJGZIW-JTQLQIEISA-N 2 2 209.293 0.586 20 0 BCADLP CC1(C)C[N@@H+](CCn2cc[nH+]c2)C[C@@H]1O ZINC000279694373 346257519 /nfs/dbraw/zinc/25/75/19/346257519.db2.gz GJNLIBAZVJGZIW-JTQLQIEISA-N 2 2 209.293 0.586 20 0 BCADLP COCCN(CC[NH+](C)C)Cc1[nH]cc(C)[nH+]1 ZINC000628279119 346287878 /nfs/dbraw/zinc/28/78/78/346287878.db2.gz VWCNYAAFFAGTNW-UHFFFAOYSA-N 2 2 240.351 0.728 20 0 BCADLP C[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc2C1)[NH+](C)C ZINC000636071846 346311697 /nfs/dbraw/zinc/31/16/97/346311697.db2.gz FZIJKPLWQYZDPE-NXEZZACHSA-N 2 2 236.319 0.264 20 0 BCADLP C[NH+](C)C1CC([NH2+]Cc2ccncc2N)C1 ZINC000641765079 362696690 /nfs/dbraw/zinc/69/66/90/362696690.db2.gz RHDONHLMHWGDOM-UHFFFAOYSA-N 2 2 220.320 0.846 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000636167842 346342726 /nfs/dbraw/zinc/34/27/26/346342726.db2.gz HSFIBARKHQJFAF-SNVBAGLBSA-N 2 2 236.319 0.710 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000636167842 346342728 /nfs/dbraw/zinc/34/27/28/346342728.db2.gz HSFIBARKHQJFAF-SNVBAGLBSA-N 2 2 236.319 0.710 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000636167842 346342731 /nfs/dbraw/zinc/34/27/31/346342731.db2.gz HSFIBARKHQJFAF-SNVBAGLBSA-N 2 2 236.319 0.710 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000636167842 346342735 /nfs/dbraw/zinc/34/27/35/346342735.db2.gz HSFIBARKHQJFAF-SNVBAGLBSA-N 2 2 236.319 0.710 20 0 BCADLP CC[C@H](O)CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336664295 537972816 /nfs/dbraw/zinc/97/28/16/537972816.db2.gz UQKQIESQKWFGCK-DCAQKATOSA-N 2 2 200.326 0.687 20 0 BCADLP CC[C@H](O)CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336664295 537972822 /nfs/dbraw/zinc/97/28/22/537972822.db2.gz UQKQIESQKWFGCK-DCAQKATOSA-N 2 2 200.326 0.687 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000381588681 346391931 /nfs/dbraw/zinc/39/19/31/346391931.db2.gz CNSKATDZGTYKRE-GMTAPVOTSA-N 2 2 225.336 0.147 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000381588681 346391934 /nfs/dbraw/zinc/39/19/34/346391934.db2.gz CNSKATDZGTYKRE-GMTAPVOTSA-N 2 2 225.336 0.147 20 0 BCADLP CO[C@]1(C[NH2+]CCCn2cc[nH+]c2)CCOC1 ZINC000160278285 346445781 /nfs/dbraw/zinc/44/57/81/346445781.db2.gz LWZYXEVWQNNSOG-LBPRGKRZSA-N 2 2 239.319 0.668 20 0 BCADLP C[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)C[C@@H]1C[NH3+] ZINC000641797958 362738398 /nfs/dbraw/zinc/73/83/98/362738398.db2.gz AXXRPFLJMCBUHV-NEPJUHHUSA-N 3 2 236.363 0.879 20 0 BCADLP C[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)C[C@@H]1C[NH3+] ZINC000641797958 362738402 /nfs/dbraw/zinc/73/84/02/362738402.db2.gz AXXRPFLJMCBUHV-NEPJUHHUSA-N 3 2 236.363 0.879 20 0 BCADLP Cn1c[nH+]cc1CC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000641797508 362742870 /nfs/dbraw/zinc/74/28/70/362742870.db2.gz DBMVXPCHKLMMCK-GFCCVEGCSA-N 3 2 222.336 0.680 20 0 BCADLP Cn1cncc1CC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000641797508 362742874 /nfs/dbraw/zinc/74/28/74/362742874.db2.gz DBMVXPCHKLMMCK-GFCCVEGCSA-N 2 2 222.336 0.680 20 0 BCADLP COc1cc(C[N@H+](C)C2CC[NH2+]CC2)on1 ZINC000641797254 362743383 /nfs/dbraw/zinc/74/33/83/362743383.db2.gz ZHWPAVASFGPKCK-UHFFFAOYSA-N 2 2 225.292 0.867 20 0 BCADLP COc1cc(C[N@@H+](C)C2CC[NH2+]CC2)on1 ZINC000641797254 362743385 /nfs/dbraw/zinc/74/33/85/362743385.db2.gz ZHWPAVASFGPKCK-UHFFFAOYSA-N 2 2 225.292 0.867 20 0 BCADLP Cn1c[nH+]cc1CC[NH+]1CCC(C)([NH3+])CC1 ZINC000641799236 362747310 /nfs/dbraw/zinc/74/73/10/362747310.db2.gz PDPRNSXSLLQQTO-UHFFFAOYSA-N 3 2 222.336 0.776 20 0 BCADLP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)on1 ZINC000641799673 362748646 /nfs/dbraw/zinc/74/86/46/362748646.db2.gz ZBPDQCJUFZHECI-BDAKNGLRSA-N 2 2 225.292 0.852 20 0 BCADLP COc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)on1 ZINC000641799673 362748652 /nfs/dbraw/zinc/74/86/52/362748652.db2.gz ZBPDQCJUFZHECI-BDAKNGLRSA-N 2 2 225.292 0.852 20 0 BCADLP c1n[nH]cc1CC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000641797940 362738767 /nfs/dbraw/zinc/73/87/67/362738767.db2.gz ASLAFLCMUQLWTF-RYUDHWBXSA-N 2 2 220.320 0.636 20 0 BCADLP c1n[nH]cc1CC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000641797940 362738774 /nfs/dbraw/zinc/73/87/74/362738774.db2.gz ASLAFLCMUQLWTF-RYUDHWBXSA-N 2 2 220.320 0.636 20 0 BCADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1nnnn1C1CC1 ZINC000641804150 362761441 /nfs/dbraw/zinc/76/14/41/362761441.db2.gz IIYMDNZASBGGAJ-IUCAKERBSA-N 2 2 236.323 0.223 20 0 BCADLP CCCn1ncnc1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641800626 362751909 /nfs/dbraw/zinc/75/19/09/362751909.db2.gz CAKDSRNPJZIKNL-UWVGGRQHSA-N 2 2 237.351 0.904 20 0 BCADLP CC1(C)[C@H]([NH2+]Cc2cn3cccnc3n2)C[C@@H]1[NH3+] ZINC000641802595 362753058 /nfs/dbraw/zinc/75/30/58/362753058.db2.gz NIACSLPIERPQEK-WDEREUQCSA-N 2 2 245.330 0.945 20 0 BCADLP Cn1nc(C2CC2)nc1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641801779 362756752 /nfs/dbraw/zinc/75/67/52/362756752.db2.gz VKUJUFPMLGKJJI-UWVGGRQHSA-N 2 2 249.362 0.908 20 0 BCADLP Cc1cc(NC(=O)NC[C@@H]2CCC[NH2+]2)cc[nH+]1 ZINC000580169374 346596380 /nfs/dbraw/zinc/59/63/80/346596380.db2.gz UAARGHWEDWGOBS-NSHDSACASA-N 2 2 234.303 0.685 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)OC(C)(C)C1 ZINC000310493691 323132445 /nfs/dbraw/zinc/13/24/45/323132445.db2.gz GLTXVZWKRXZJPZ-NEPJUHHUSA-N 2 2 244.379 0.798 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)OC(C)(C)C1 ZINC000310493691 323132446 /nfs/dbraw/zinc/13/24/46/323132446.db2.gz GLTXVZWKRXZJPZ-NEPJUHHUSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000310493691 323132447 /nfs/dbraw/zinc/13/24/47/323132447.db2.gz GLTXVZWKRXZJPZ-NEPJUHHUSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000310493691 323132448 /nfs/dbraw/zinc/13/24/48/323132448.db2.gz GLTXVZWKRXZJPZ-NEPJUHHUSA-N 2 2 244.379 0.798 20 0 BCADLP C[NH+](C)CC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000589260711 346681474 /nfs/dbraw/zinc/68/14/74/346681474.db2.gz XCPCCKUHWLXBHX-UHFFFAOYSA-N 2 2 245.286 0.767 20 0 BCADLP Cc1ncc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000309691659 347134598 /nfs/dbraw/zinc/13/45/98/347134598.db2.gz JNRKXTWUOOCWGK-RYUDHWBXSA-N 2 2 218.304 0.436 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@]13C[C@H]1C[NH2+]C3)C2 ZINC000622004866 370655044 /nfs/dbraw/zinc/65/50/44/370655044.db2.gz VXKGSTIBTRIKQT-XQHKEYJVSA-N 3 2 221.348 0.409 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@]13C[C@H]1C[NH2+]C3)C2 ZINC000622004866 370655047 /nfs/dbraw/zinc/65/50/47/370655047.db2.gz VXKGSTIBTRIKQT-XQHKEYJVSA-N 3 2 221.348 0.409 20 0 BCADLP COc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)on1 ZINC000641821623 362772253 /nfs/dbraw/zinc/77/22/53/362772253.db2.gz MTZGEYZLSQRKCT-BDAKNGLRSA-N 2 2 225.292 0.995 20 0 BCADLP COc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)on1 ZINC000641821623 362772257 /nfs/dbraw/zinc/77/22/57/362772257.db2.gz MTZGEYZLSQRKCT-BDAKNGLRSA-N 2 2 225.292 0.995 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000641824585 362774267 /nfs/dbraw/zinc/77/42/67/362774267.db2.gz UQJVPPSMWFPUAM-DGCLKSJQSA-N 3 2 234.347 0.776 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000641824585 362774268 /nfs/dbraw/zinc/77/42/68/362774268.db2.gz UQJVPPSMWFPUAM-DGCLKSJQSA-N 3 2 234.347 0.776 20 0 BCADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CC(N)=O ZINC000309953417 347204736 /nfs/dbraw/zinc/20/47/36/347204736.db2.gz HEOCXEGGOFUSAU-WDEREUQCSA-N 2 2 227.352 0.714 20 0 BCADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CC(N)=O ZINC000309953417 347204739 /nfs/dbraw/zinc/20/47/39/347204739.db2.gz HEOCXEGGOFUSAU-WDEREUQCSA-N 2 2 227.352 0.714 20 0 BCADLP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCc1[nH]cc[nH+]1 ZINC000310412512 347278647 /nfs/dbraw/zinc/27/86/47/347278647.db2.gz MNWKOYQOXARDEA-VHSXEESVSA-N 2 2 236.319 0.934 20 0 BCADLP [NH3+][C@H]1CCCC[C@H]1CC(=O)NCc1[nH]cc[nH+]1 ZINC000310412511 347278682 /nfs/dbraw/zinc/27/86/82/347278682.db2.gz MNWKOYQOXARDEA-UWVGGRQHSA-N 2 2 236.319 0.934 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000310442271 347283209 /nfs/dbraw/zinc/28/32/09/347283209.db2.gz WCTTUXRNAPDSAM-CMPLNLGQSA-N 2 2 240.351 0.383 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000310442271 347283211 /nfs/dbraw/zinc/28/32/11/347283211.db2.gz WCTTUXRNAPDSAM-CMPLNLGQSA-N 2 2 240.351 0.383 20 0 BCADLP C[NH2+]CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000082276235 347325994 /nfs/dbraw/zinc/32/59/94/347325994.db2.gz AYMCJMBRCQAEDN-VIFPVBQESA-N 2 2 222.292 0.335 20 0 BCADLP CCOCC[N@@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000252766621 347416269 /nfs/dbraw/zinc/41/62/69/347416269.db2.gz HLWYNHSCDWBJQZ-WDEREUQCSA-N 2 2 216.325 0.461 20 0 BCADLP CCOCC[N@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000252766621 347416272 /nfs/dbraw/zinc/41/62/72/347416272.db2.gz HLWYNHSCDWBJQZ-WDEREUQCSA-N 2 2 216.325 0.461 20 0 BCADLP O=C1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CCN1 ZINC000396668046 362827673 /nfs/dbraw/zinc/82/76/73/362827673.db2.gz QKBPFWRYEZKCPP-WDEREUQCSA-N 2 2 237.347 0.481 20 0 BCADLP O=C1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)CCN1 ZINC000396668046 362827676 /nfs/dbraw/zinc/82/76/76/362827676.db2.gz QKBPFWRYEZKCPP-WDEREUQCSA-N 2 2 237.347 0.481 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCNC(=O)CC1 ZINC000396665251 362827928 /nfs/dbraw/zinc/82/79/28/362827928.db2.gz VRGUTMYITIZRLX-WDEREUQCSA-N 2 2 225.336 0.339 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCNC(=O)CC1 ZINC000396665251 362827931 /nfs/dbraw/zinc/82/79/31/362827931.db2.gz VRGUTMYITIZRLX-WDEREUQCSA-N 2 2 225.336 0.339 20 0 BCADLP C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000616928691 347494863 /nfs/dbraw/zinc/49/48/63/347494863.db2.gz JCYAYYUFBNPJIR-SNVBAGLBSA-N 2 2 236.319 0.710 20 0 BCADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000616928691 347494866 /nfs/dbraw/zinc/49/48/66/347494866.db2.gz JCYAYYUFBNPJIR-SNVBAGLBSA-N 2 2 236.319 0.710 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000616927409 347460656 /nfs/dbraw/zinc/46/06/56/347460656.db2.gz IJBNOCQFBXLNHM-LBPRGKRZSA-N 2 2 248.330 0.995 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000616927409 347460657 /nfs/dbraw/zinc/46/06/57/347460657.db2.gz IJBNOCQFBXLNHM-LBPRGKRZSA-N 2 2 248.330 0.995 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000616927409 347460660 /nfs/dbraw/zinc/46/06/60/347460660.db2.gz IJBNOCQFBXLNHM-LBPRGKRZSA-N 2 2 248.330 0.995 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000616927409 347460663 /nfs/dbraw/zinc/46/06/63/347460663.db2.gz IJBNOCQFBXLNHM-LBPRGKRZSA-N 2 2 248.330 0.995 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083071 347616031 /nfs/dbraw/zinc/61/60/31/347616031.db2.gz NQCIDJZWDBQTNR-VHSXEESVSA-N 2 2 222.292 0.394 20 0 BCADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083071 347616036 /nfs/dbraw/zinc/61/60/36/347616036.db2.gz NQCIDJZWDBQTNR-VHSXEESVSA-N 2 2 222.292 0.394 20 0 BCADLP COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1CCC[NH3+] ZINC000414757335 323151501 /nfs/dbraw/zinc/15/15/01/323151501.db2.gz LAGUEXYLHWZFNE-UWVGGRQHSA-N 2 2 214.309 0.609 20 0 BCADLP COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CCC[NH3+] ZINC000414757335 323151502 /nfs/dbraw/zinc/15/15/02/323151502.db2.gz LAGUEXYLHWZFNE-UWVGGRQHSA-N 2 2 214.309 0.609 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)CCCn1cc[nH+]c1 ZINC000591201923 347630021 /nfs/dbraw/zinc/63/00/21/347630021.db2.gz CETGDIOONGYFMC-UHFFFAOYSA-N 2 2 247.302 0.713 20 0 BCADLP COc1ccnc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000592806927 347818561 /nfs/dbraw/zinc/81/85/61/347818561.db2.gz XMYVKKRKRZYTPL-GHMZBOCLSA-N 2 2 233.315 0.741 20 0 BCADLP COc1cc[nH+]c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000592806927 347818563 /nfs/dbraw/zinc/81/85/63/347818563.db2.gz XMYVKKRKRZYTPL-GHMZBOCLSA-N 2 2 233.315 0.741 20 0 BCADLP COC(=O)[C@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000592485203 347786223 /nfs/dbraw/zinc/78/62/23/347786223.db2.gz RDPFCAYWAQEESO-QMMMGPOBSA-N 2 2 200.282 0.361 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCc2cnccn2)n1C ZINC000577295425 365921188 /nfs/dbraw/zinc/92/11/88/365921188.db2.gz WMFSTRSXMXXLRD-UHFFFAOYSA-N 2 2 231.303 0.851 20 0 BCADLP CSCCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593901299 347967210 /nfs/dbraw/zinc/96/72/10/347967210.db2.gz FLTOJDBBGNDNPF-SECBINFHSA-N 2 2 233.381 0.135 20 0 BCADLP CS[C@@H](C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593905569 347968485 /nfs/dbraw/zinc/96/84/85/347968485.db2.gz WDKWTSLNDFNKKF-DTWKUNHWSA-N 2 2 233.381 0.133 20 0 BCADLP CN1CC[NH+]=C1NCc1c[nH+]c2n1CCCC2 ZINC000368496619 187384958 /nfs/dbraw/zinc/38/49/58/187384958.db2.gz QBMQRXJSEWHIER-UHFFFAOYSA-N 2 2 233.319 0.610 20 0 BCADLP Cc1cccc(NC2CC[NH+](CC(N)=O)CC2)[nH+]1 ZINC000038007292 348024812 /nfs/dbraw/zinc/02/48/12/348024812.db2.gz GBWCFLPLDNCMDX-UHFFFAOYSA-N 2 2 248.330 0.752 20 0 BCADLP Cc1cccn2cc(CNC(=O)CCC[NH3+])[nH+]c12 ZINC000237752704 179357143 /nfs/dbraw/zinc/35/71/43/179357143.db2.gz HLWABKFPWSOXKR-UHFFFAOYSA-N 2 2 246.314 0.998 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000594951194 348147885 /nfs/dbraw/zinc/14/78/85/348147885.db2.gz SVTFTEHUQNGKDF-GMTAPVOTSA-N 2 2 240.347 0.868 20 0 BCADLP CS[C@@H](CO)[C@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000594921158 348155308 /nfs/dbraw/zinc/15/53/08/348155308.db2.gz JDKUJIDVYMXCRP-KWQFWETISA-N 2 2 243.376 0.931 20 0 BCADLP c1cc2n(n1)C[C@@H](C[NH2+]CC[NH+]1CCCC1)CN2 ZINC000595145209 348199113 /nfs/dbraw/zinc/19/91/13/348199113.db2.gz ZUAXVJUVMVSCJS-LBPRGKRZSA-N 2 2 249.362 0.610 20 0 BCADLP C[C@@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)[NH+](C)C ZINC000595143791 348199294 /nfs/dbraw/zinc/19/92/94/348199294.db2.gz FGUGSSVKZMUBTE-WDEREUQCSA-N 2 2 237.351 0.465 20 0 BCADLP COC(=O)C[C@@H]1CCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000595892114 348391001 /nfs/dbraw/zinc/39/10/01/348391001.db2.gz KSNRKQLWVUGBAR-WDEREUQCSA-N 2 2 242.319 0.002 20 0 BCADLP CCOC(=O)CC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000595903067 348395340 /nfs/dbraw/zinc/39/53/40/348395340.db2.gz HDKOAQYQTJGZKP-UHFFFAOYSA-N 2 2 212.293 0.363 20 0 BCADLP CCOC(=O)CC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000595903067 348395342 /nfs/dbraw/zinc/39/53/42/348395342.db2.gz HDKOAQYQTJGZKP-UHFFFAOYSA-N 2 2 212.293 0.363 20 0 BCADLP COC(=O)[C@H]1C[C@@H]([N@H+](C)C[C@@H](C)[NH3+])C1 ZINC000595905181 348396060 /nfs/dbraw/zinc/39/60/60/348396060.db2.gz QBITUGHHAWTRSI-HLTSFMKQSA-N 2 2 200.282 0.217 20 0 BCADLP COC(=O)[C@H]1C[C@@H]([N@@H+](C)C[C@@H](C)[NH3+])C1 ZINC000595905181 348396062 /nfs/dbraw/zinc/39/60/62/348396062.db2.gz QBITUGHHAWTRSI-HLTSFMKQSA-N 2 2 200.282 0.217 20 0 BCADLP CCOC(=O)C12CC(C1)C[N@@H+]2C[C@@H]1CC[NH2+]C1 ZINC000595905958 348396516 /nfs/dbraw/zinc/39/65/16/348396516.db2.gz YVIYOFJQYNAGKN-XSRFYTQQSA-N 2 2 238.331 0.623 20 0 BCADLP CCOC(=O)C12CC(C1)C[N@H+]2C[C@@H]1CC[NH2+]C1 ZINC000595905958 348396519 /nfs/dbraw/zinc/39/65/19/348396519.db2.gz YVIYOFJQYNAGKN-XSRFYTQQSA-N 2 2 238.331 0.623 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)CSC)C1 ZINC000596065483 348436104 /nfs/dbraw/zinc/43/61/04/348436104.db2.gz JFOZPERELFCPLU-GHMZBOCLSA-N 2 2 232.393 0.784 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)CSC)C1 ZINC000596065483 348436107 /nfs/dbraw/zinc/43/61/07/348436107.db2.gz JFOZPERELFCPLU-GHMZBOCLSA-N 2 2 232.393 0.784 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC000596105679 348440312 /nfs/dbraw/zinc/44/03/12/348440312.db2.gz LWCDGFQGNCSJOU-MRVPVSSYSA-N 2 2 225.292 0.499 20 0 BCADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnccn2)C1 ZINC000054766430 349078716 /nfs/dbraw/zinc/07/87/16/349078716.db2.gz RUDWNNZOSNDLCA-LLVKDONJSA-N 2 2 220.320 0.908 20 0 BCADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnccn2)C1 ZINC000054766430 349078719 /nfs/dbraw/zinc/07/87/19/349078719.db2.gz RUDWNNZOSNDLCA-LLVKDONJSA-N 2 2 220.320 0.908 20 0 BCADLP Cc1csc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000250901727 349181197 /nfs/dbraw/zinc/18/11/97/349181197.db2.gz NRUVRSRKDUFTTC-SNVBAGLBSA-N 2 2 240.376 0.526 20 0 BCADLP Cc1csc(CN2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000250901727 349181198 /nfs/dbraw/zinc/18/11/98/349181198.db2.gz NRUVRSRKDUFTTC-SNVBAGLBSA-N 2 2 240.376 0.526 20 0 BCADLP C[C@@H]1C[NH+](C[C@@H]2C[NH2+]CCO2)C[C@@H](C)S1 ZINC000070651220 490230957 /nfs/dbraw/zinc/23/09/57/490230957.db2.gz GXPMSKBXEJMHPY-MXWKQRLJSA-N 2 2 230.377 0.801 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000252594090 349201175 /nfs/dbraw/zinc/20/11/75/349201175.db2.gz GHDSBPXNNUATRO-VWYCJHECSA-N 2 2 236.319 0.386 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CCN1Cc1[nH+]ccn1C ZINC000070853682 350069510 /nfs/dbraw/zinc/06/95/10/350069510.db2.gz MEKVNQSGQYWHLW-UWVGGRQHSA-N 2 2 208.309 0.732 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1nccn1C ZINC000070853682 350069512 /nfs/dbraw/zinc/06/95/12/350069512.db2.gz MEKVNQSGQYWHLW-UWVGGRQHSA-N 2 2 208.309 0.732 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1nccn1C ZINC000070853682 350069515 /nfs/dbraw/zinc/06/95/15/350069515.db2.gz MEKVNQSGQYWHLW-UWVGGRQHSA-N 2 2 208.309 0.732 20 0 BCADLP Cc1[nH+]c2cc(NC(=O)C[NH3+])ccc2n1C ZINC000077326263 180081145 /nfs/dbraw/zinc/08/11/45/180081145.db2.gz KTMQWUQGLHKVGW-UHFFFAOYSA-N 2 2 218.260 0.779 20 0 BCADLP CCOC(=O)C[N@H+](C)CCCc1c[nH+]cn1C ZINC000314060303 350165515 /nfs/dbraw/zinc/16/55/15/350165515.db2.gz IZYFXMCAKHPHAM-UHFFFAOYSA-N 2 2 239.319 0.848 20 0 BCADLP CCOC(=O)C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000314060303 350165518 /nfs/dbraw/zinc/16/55/18/350165518.db2.gz IZYFXMCAKHPHAM-UHFFFAOYSA-N 2 2 239.319 0.848 20 0 BCADLP O=C(CC1CC[NH2+]CC1)NCc1c[nH]c[nH+]1 ZINC000084081197 490365635 /nfs/dbraw/zinc/36/56/35/490365635.db2.gz XVRAKQJZQWPPSY-UHFFFAOYSA-N 2 2 222.292 0.416 20 0 BCADLP Cc1ncc(C[NH+]2C[C@H]3C[NH+](C)C[C@@H]3C2)cn1 ZINC000352414336 180146777 /nfs/dbraw/zinc/14/67/77/180146777.db2.gz TYFZWRGLAVZYRO-CHWSQXEVSA-N 2 2 232.331 0.778 20 0 BCADLP CN1CC[C@H]([N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000604759003 350184082 /nfs/dbraw/zinc/18/40/82/350184082.db2.gz MTPILMBSVZHDEB-RYUDHWBXSA-N 2 2 248.330 0.751 20 0 BCADLP CN1CC[C@H]([N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000604759003 350184084 /nfs/dbraw/zinc/18/40/84/350184084.db2.gz MTPILMBSVZHDEB-RYUDHWBXSA-N 2 2 248.330 0.751 20 0 BCADLP Cc1ncc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)s1 ZINC000336762175 180152291 /nfs/dbraw/zinc/15/22/91/180152291.db2.gz LESHCCMCJGRWHH-NSHDSACASA-N 2 2 241.360 0.608 20 0 BCADLP Cc1ncc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)s1 ZINC000336762175 180152294 /nfs/dbraw/zinc/15/22/94/180152294.db2.gz LESHCCMCJGRWHH-NSHDSACASA-N 2 2 241.360 0.608 20 0 BCADLP Cc1nc(NC[C@@H](C)N2CC[NH+](C)CC2)cc[nH+]1 ZINC000266337175 180201488 /nfs/dbraw/zinc/20/14/88/180201488.db2.gz HTIGCVALQUOSRG-LLVKDONJSA-N 2 2 249.362 0.833 20 0 BCADLP Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@H](C)[NH3+] ZINC000037765511 180231083 /nfs/dbraw/zinc/23/10/83/180231083.db2.gz RNNVDMBQFVGIJB-QMMMGPOBSA-N 2 2 245.286 0.861 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C[NH3+] ZINC000336741232 180237674 /nfs/dbraw/zinc/23/76/74/180237674.db2.gz MZTADAZVKPMMMN-SNVBAGLBSA-N 3 2 210.325 0.861 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C[NH3+] ZINC000336741232 180237677 /nfs/dbraw/zinc/23/76/77/180237677.db2.gz MZTADAZVKPMMMN-SNVBAGLBSA-N 3 2 210.325 0.861 20 0 BCADLP Cc1[nH+]ccn1CCCN1CC[NH+](C)CC1 ZINC000270654616 180238645 /nfs/dbraw/zinc/23/86/45/180238645.db2.gz PGKJZNWRGLKLML-UHFFFAOYSA-N 2 2 222.336 0.829 20 0 BCADLP Cc1[nH+]ccn1CCC[NH+]1CCN(C)CC1 ZINC000270654616 180238648 /nfs/dbraw/zinc/23/86/48/180238648.db2.gz PGKJZNWRGLKLML-UHFFFAOYSA-N 2 2 222.336 0.829 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C ZINC000309257195 350243102 /nfs/dbraw/zinc/24/31/02/350243102.db2.gz OMWDNBGEGVZWQE-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C ZINC000309257195 350243105 /nfs/dbraw/zinc/24/31/05/350243105.db2.gz OMWDNBGEGVZWQE-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1C ZINC000309257195 350243108 /nfs/dbraw/zinc/24/31/08/350243108.db2.gz OMWDNBGEGVZWQE-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1C ZINC000309257195 350243110 /nfs/dbraw/zinc/24/31/10/350243110.db2.gz OMWDNBGEGVZWQE-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C ZINC000309257192 350243117 /nfs/dbraw/zinc/24/31/17/350243117.db2.gz OMWDNBGEGVZWQE-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C ZINC000309257192 350243119 /nfs/dbraw/zinc/24/31/19/350243119.db2.gz OMWDNBGEGVZWQE-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1C ZINC000309257192 350243123 /nfs/dbraw/zinc/24/31/23/350243123.db2.gz OMWDNBGEGVZWQE-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1C ZINC000309257192 350243124 /nfs/dbraw/zinc/24/31/24/350243124.db2.gz OMWDNBGEGVZWQE-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@]12CCOC2=O ZINC000275104542 180251822 /nfs/dbraw/zinc/25/18/22/180251822.db2.gz LRCBXSPFJZAXSX-ZDUSSCGKSA-N 2 2 249.314 0.973 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@]12CCOC2=O ZINC000275104542 180251829 /nfs/dbraw/zinc/25/18/29/180251829.db2.gz LRCBXSPFJZAXSX-ZDUSSCGKSA-N 2 2 249.314 0.973 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@](F)(CO)C1 ZINC000286726463 180253427 /nfs/dbraw/zinc/25/34/27/180253427.db2.gz CSYARZPADVJBTA-GFCCVEGCSA-N 2 2 241.310 0.988 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@](F)(CO)C1 ZINC000286726463 180253429 /nfs/dbraw/zinc/25/34/29/180253429.db2.gz CSYARZPADVJBTA-GFCCVEGCSA-N 2 2 241.310 0.988 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000351817080 180253852 /nfs/dbraw/zinc/25/38/52/180253852.db2.gz UIMHDYKBXWULFG-GXSJLCMTSA-N 2 2 209.293 0.504 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000351817080 180253855 /nfs/dbraw/zinc/25/38/55/180253855.db2.gz UIMHDYKBXWULFG-GXSJLCMTSA-N 2 2 209.293 0.504 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367984924 180254521 /nfs/dbraw/zinc/25/45/21/180254521.db2.gz ZAVOAIMMKBEYOG-NSHDSACASA-N 2 2 236.319 0.389 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367984924 180254523 /nfs/dbraw/zinc/25/45/23/180254523.db2.gz ZAVOAIMMKBEYOG-NSHDSACASA-N 2 2 236.319 0.389 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C)[C@H]1CO ZINC000276036590 180255481 /nfs/dbraw/zinc/25/54/81/180255481.db2.gz MUBKAZHWBQKZDY-CMPLNLGQSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C)[C@H]1CO ZINC000276036590 180255483 /nfs/dbraw/zinc/25/54/83/180255483.db2.gz MUBKAZHWBQKZDY-CMPLNLGQSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338590799 180241452 /nfs/dbraw/zinc/24/14/52/180241452.db2.gz YOSZBRKFNYHTIR-LBPRGKRZSA-N 2 2 241.310 0.988 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@](F)(CO)C1 ZINC000338590799 180241454 /nfs/dbraw/zinc/24/14/54/180241454.db2.gz YOSZBRKFNYHTIR-LBPRGKRZSA-N 2 2 241.310 0.988 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000300359948 490558098 /nfs/dbraw/zinc/55/80/98/490558098.db2.gz SJRDWOYUKJAOMQ-VWYCJHECSA-N 2 2 212.337 0.830 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000300359948 490558102 /nfs/dbraw/zinc/55/81/02/490558102.db2.gz SJRDWOYUKJAOMQ-VWYCJHECSA-N 2 2 212.337 0.830 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000300359946 490557855 /nfs/dbraw/zinc/55/78/55/490557855.db2.gz SJRDWOYUKJAOMQ-MXWKQRLJSA-N 2 2 212.337 0.830 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000300359946 490557859 /nfs/dbraw/zinc/55/78/59/490557859.db2.gz SJRDWOYUKJAOMQ-MXWKQRLJSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CCCCn1cc[nH+]c1 ZINC000309448456 323407703 /nfs/dbraw/zinc/40/77/03/323407703.db2.gz LYCFEDAKHQSGSS-SNVBAGLBSA-N 2 2 224.308 0.517 20 0 BCADLP C[C@@]1(C(=O)N2CC[NH+](C3CC3)CC2)CCC[NH2+]1 ZINC000079518471 351071286 /nfs/dbraw/zinc/07/12/86/351071286.db2.gz JQTYYZBJEHTULM-ZDUSSCGKSA-N 2 2 237.347 0.435 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@@H]2O)n1C ZINC000631251159 351391218 /nfs/dbraw/zinc/39/12/18/351391218.db2.gz KDZOIVREWFCQPY-QWRGUYRKSA-N 2 2 209.293 0.732 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](O)C1 ZINC000414671327 351578712 /nfs/dbraw/zinc/57/87/12/351578712.db2.gz NVNJQYVDDMUDDR-MNOVXSKESA-N 2 2 200.326 0.817 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H](O)C1 ZINC000414671327 351578714 /nfs/dbraw/zinc/57/87/14/351578714.db2.gz NVNJQYVDDMUDDR-MNOVXSKESA-N 2 2 200.326 0.817 20 0 BCADLP Cc1n[nH]c(CC[NH2+]Cc2c[nH+]c(C)n2C)n1 ZINC000577627574 366025800 /nfs/dbraw/zinc/02/58/00/366025800.db2.gz AVRCPIHTQIIHLQ-UHFFFAOYSA-N 2 2 234.307 0.487 20 0 BCADLP Cc1cn2ccc(C(=O)NCCC[NH3+])cc2[nH+]1 ZINC000637801599 351632596 /nfs/dbraw/zinc/63/25/96/351632596.db2.gz HDFLQWLSPOGLBH-UHFFFAOYSA-N 2 2 232.287 0.721 20 0 BCADLP C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000637802749 351635814 /nfs/dbraw/zinc/63/58/14/351635814.db2.gz UCISKRWSSMZDTM-SECBINFHSA-N 2 2 222.292 0.081 20 0 BCADLP CCc1c[nH]c(CC(=O)N[C@H]2CCC[NH2+]C2)[nH+]1 ZINC000637805489 351641455 /nfs/dbraw/zinc/64/14/55/351641455.db2.gz OETOIPLGUYDSRH-JTQLQIEISA-N 2 2 236.319 0.383 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000637805930 351642116 /nfs/dbraw/zinc/64/21/16/351642116.db2.gz RIMAYDVQINWVDF-VIFPVBQESA-N 2 2 222.292 0.129 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000637805930 351642120 /nfs/dbraw/zinc/64/21/20/351642120.db2.gz RIMAYDVQINWVDF-VIFPVBQESA-N 2 2 222.292 0.129 20 0 BCADLP Cc1cn2ccc(C(=O)N[C@@H]3CC[NH2+]C3)cc2[nH+]1 ZINC000637811367 351653102 /nfs/dbraw/zinc/65/31/02/351653102.db2.gz KCWMCGWISGDLLT-LLVKDONJSA-N 2 2 244.298 0.734 20 0 BCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CC[NH2+]C1 ZINC000637837529 351692082 /nfs/dbraw/zinc/69/20/82/351692082.db2.gz ICYDNHYLAXNNAU-IVZWLZJFSA-N 2 2 234.303 0.334 20 0 BCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CC[NH2+]C1 ZINC000637837529 351692089 /nfs/dbraw/zinc/69/20/89/351692089.db2.gz ICYDNHYLAXNNAU-IVZWLZJFSA-N 2 2 234.303 0.334 20 0 BCADLP CCc1c[nH]c(CC(=O)N(C)[C@@H](C)C[NH3+])[nH+]1 ZINC000637844393 351700084 /nfs/dbraw/zinc/70/00/84/351700084.db2.gz NAWLSWWFFCPAKH-QMMMGPOBSA-N 2 2 224.308 0.320 20 0 BCADLP CCc1c[nH]c(CC(=O)NC[C@H]2CCC[NH2+]2)[nH+]1 ZINC000637826790 351674346 /nfs/dbraw/zinc/67/43/46/351674346.db2.gz HULFDSRSEJLLAR-SNVBAGLBSA-N 2 2 236.319 0.383 20 0 BCADLP CC1(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000623619700 363084250 /nfs/dbraw/zinc/08/42/50/363084250.db2.gz SRPUZTNARAENGF-NSHDSACASA-N 2 2 239.363 0.716 20 0 BCADLP CC1(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000623619700 363084251 /nfs/dbraw/zinc/08/42/51/363084251.db2.gz SRPUZTNARAENGF-NSHDSACASA-N 2 2 239.363 0.716 20 0 BCADLP C[C@@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)Cn1cc[nH+]c1 ZINC000638075723 351947636 /nfs/dbraw/zinc/94/76/36/351947636.db2.gz HCXUINIJOKTLJL-CMPLNLGQSA-N 2 2 248.330 0.683 20 0 BCADLP CC[NH2+][C@@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000638047502 351926377 /nfs/dbraw/zinc/92/63/77/351926377.db2.gz JUXCYKNEKCTAGK-JTQLQIEISA-N 2 2 224.308 0.387 20 0 BCADLP [NH3+][C@@H]1CC=C(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000638049244 351927034 /nfs/dbraw/zinc/92/70/34/351927034.db2.gz YBCQRUIUAIRSRV-LLVKDONJSA-N 2 2 234.303 0.437 20 0 BCADLP CC(C)CC[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000638051854 351929250 /nfs/dbraw/zinc/92/92/50/351929250.db2.gz SXUZRAMHCFESKK-NSHDSACASA-N 2 2 238.335 0.763 20 0 BCADLP C[C@H](CNC(=O)C1=CC[C@H]([NH3+])C1)Cn1cc[nH+]c1 ZINC000638075726 351948194 /nfs/dbraw/zinc/94/81/94/351948194.db2.gz HCXUINIJOKTLJL-PWSUYJOCSA-N 2 2 248.330 0.683 20 0 BCADLP CCc1c[nH]c(CC(=O)NCC2=CC[NH2+]CC2)[nH+]1 ZINC000638176415 352041968 /nfs/dbraw/zinc/04/19/68/352041968.db2.gz YRULJVTXHOVUBM-UHFFFAOYSA-N 2 2 248.330 0.551 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638176483 352042109 /nfs/dbraw/zinc/04/21/09/352042109.db2.gz CMXMZYPVJZYGHJ-LNFKQOIKSA-N 2 2 248.330 0.627 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638176483 352042116 /nfs/dbraw/zinc/04/21/16/352042116.db2.gz CMXMZYPVJZYGHJ-LNFKQOIKSA-N 2 2 248.330 0.627 20 0 BCADLP [NH3+][C@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000638200080 352060407 /nfs/dbraw/zinc/06/04/07/352060407.db2.gz NRAIWKQGXIPTNU-LNFKQOIKSA-N 2 2 248.330 0.899 20 0 BCADLP [NH3+][C@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000638200080 352060408 /nfs/dbraw/zinc/06/04/08/352060408.db2.gz NRAIWKQGXIPTNU-LNFKQOIKSA-N 2 2 248.330 0.899 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000638199593 352063077 /nfs/dbraw/zinc/06/30/77/352063077.db2.gz DJSBIPXTSBZHMI-JQWIXIFHSA-N 2 2 248.330 0.471 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000638208641 352070890 /nfs/dbraw/zinc/07/08/90/352070890.db2.gz VRXQINZWZYVTBG-WPRPVWTQSA-N 2 2 236.319 0.517 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000638208641 352070891 /nfs/dbraw/zinc/07/08/91/352070891.db2.gz VRXQINZWZYVTBG-WPRPVWTQSA-N 2 2 236.319 0.517 20 0 BCADLP [NH3+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000638154675 352015401 /nfs/dbraw/zinc/01/54/01/352015401.db2.gz PTQGWFGGMQBNBM-OPRDCNLKSA-N 2 2 234.303 0.367 20 0 BCADLP [NH3+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000638154675 352015405 /nfs/dbraw/zinc/01/54/05/352015405.db2.gz PTQGWFGGMQBNBM-OPRDCNLKSA-N 2 2 234.303 0.367 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CC[NH3+] ZINC000638153159 352017745 /nfs/dbraw/zinc/01/77/45/352017745.db2.gz CQVLSMAXZVCZIE-ZETCQYMHSA-N 2 2 210.281 0.114 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C)CC[NH3+] ZINC000638153159 352017749 /nfs/dbraw/zinc/01/77/49/352017749.db2.gz CQVLSMAXZVCZIE-ZETCQYMHSA-N 2 2 210.281 0.114 20 0 BCADLP C[C@@H](Cc1cnccn1)[NH2+]CCn1cc[nH+]c1 ZINC000638297335 352129749 /nfs/dbraw/zinc/12/97/49/352129749.db2.gz BGSKOLGOFNLCJI-NSHDSACASA-N 2 2 231.303 0.894 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCCC[NH3+] ZINC000638243266 352090832 /nfs/dbraw/zinc/09/08/32/352090832.db2.gz MQSRINSITNMOQH-VIFPVBQESA-N 2 2 238.335 0.894 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C)CCCC[NH3+] ZINC000638243266 352090834 /nfs/dbraw/zinc/09/08/34/352090834.db2.gz MQSRINSITNMOQH-VIFPVBQESA-N 2 2 238.335 0.894 20 0 BCADLP CCc1c[nH]c(CC(=O)N[C@H](C)CCC[NH3+])[nH+]1 ZINC000638252320 352095914 /nfs/dbraw/zinc/09/59/14/352095914.db2.gz RTNBIGKGUYICEW-SECBINFHSA-N 2 2 238.335 0.758 20 0 BCADLP CCc1c[nH]c(CC(=O)N(C)C2CC([NH3+])C2)[nH+]1 ZINC000638254520 352097754 /nfs/dbraw/zinc/09/77/54/352097754.db2.gz AZDLRLUURLIDIK-UHFFFAOYSA-N 2 2 236.319 0.463 20 0 BCADLP CCc1c[nH]c(CC(=O)N[C@@H](C)[C@H](C)[NH3+])[nH+]1 ZINC000638254872 352098134 /nfs/dbraw/zinc/09/81/34/352098134.db2.gz IZVMNLDWZQSNHW-YUMQZZPRSA-N 2 2 224.308 0.367 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638256653 352100182 /nfs/dbraw/zinc/10/01/82/352100182.db2.gz QHJVPMAQFFSTLZ-BZNPZCIMSA-N 2 2 222.292 0.365 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638256653 352100185 /nfs/dbraw/zinc/10/01/85/352100185.db2.gz QHJVPMAQFFSTLZ-BZNPZCIMSA-N 2 2 222.292 0.365 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1(C[NH3+])CCC1 ZINC000638263757 352105806 /nfs/dbraw/zinc/10/58/06/352105806.db2.gz ZHIYGSPNDAANFG-UHFFFAOYSA-N 2 2 236.319 0.600 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000638364275 352177083 /nfs/dbraw/zinc/17/70/83/352177083.db2.gz FEVAOGPDMSDNAS-NXEZZACHSA-N 2 2 236.319 0.647 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000638364275 352177084 /nfs/dbraw/zinc/17/70/84/352177084.db2.gz FEVAOGPDMSDNAS-NXEZZACHSA-N 2 2 236.319 0.647 20 0 BCADLP C[C@@H](NC(=O)C1=CC[C@H]([NH3+])C1)c1[nH+]ccn1C ZINC000638431396 352239343 /nfs/dbraw/zinc/23/93/43/352239343.db2.gz UBCAGXQKOOHEMV-SCZZXKLOSA-N 2 2 234.303 0.645 20 0 BCADLP c1[nH]c(C[NH2+][C@H]2COC[C@@H]2C2CC2)c[nH+]1 ZINC000725270221 538102288 /nfs/dbraw/zinc/10/22/88/538102288.db2.gz YWLADRJBCFNIEM-MNOVXSKESA-N 2 2 207.277 0.924 20 0 BCADLP CO[C@H](C[NH2+][C@H]1CCC[N@H+](C)C1)[C@@H]1CCOC1 ZINC000638407570 352213163 /nfs/dbraw/zinc/21/31/63/352213163.db2.gz BMSVWCQGWJTKFJ-FRRDWIJNSA-N 2 2 242.363 0.722 20 0 BCADLP CO[C@H](C[NH2+][C@H]1CCC[N@@H+](C)C1)[C@@H]1CCOC1 ZINC000638407570 352213166 /nfs/dbraw/zinc/21/31/66/352213166.db2.gz BMSVWCQGWJTKFJ-FRRDWIJNSA-N 2 2 242.363 0.722 20 0 BCADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC000638409132 352218544 /nfs/dbraw/zinc/21/85/44/352218544.db2.gz JMQJXXSETDYISF-LLVKDONJSA-N 2 2 237.351 0.637 20 0 BCADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC000638409132 352218547 /nfs/dbraw/zinc/21/85/47/352218547.db2.gz JMQJXXSETDYISF-LLVKDONJSA-N 2 2 237.351 0.637 20 0 BCADLP O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638424612 352232203 /nfs/dbraw/zinc/23/22/03/352232203.db2.gz DGRBHEOSHMJKAA-LIVJGEBJSA-N 2 2 246.314 0.381 20 0 BCADLP O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638424612 352232206 /nfs/dbraw/zinc/23/22/06/352232206.db2.gz DGRBHEOSHMJKAA-LIVJGEBJSA-N 2 2 246.314 0.381 20 0 BCADLP CCn1cc[nH+]c1CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627049525 363170753 /nfs/dbraw/zinc/17/07/53/363170753.db2.gz VGDYHIHZCMOSJU-SECBINFHSA-N 2 2 237.307 0.064 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1CC=CC1 ZINC000638493650 352310657 /nfs/dbraw/zinc/31/06/57/352310657.db2.gz KGOYHGGSWVHAMR-NSHDSACASA-N 2 2 225.336 0.348 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000638596524 352426224 /nfs/dbraw/zinc/42/62/24/352426224.db2.gz LFTCYEHBZDCJCJ-STQMWFEESA-N 2 2 241.379 0.391 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000638596524 352426226 /nfs/dbraw/zinc/42/62/26/352426226.db2.gz LFTCYEHBZDCJCJ-STQMWFEESA-N 2 2 241.379 0.391 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)[C@@H]1CC1(F)F ZINC000638597477 352429210 /nfs/dbraw/zinc/42/92/10/352429210.db2.gz XIBNTHUJUVZMSC-DCAQKATOSA-N 2 2 247.333 0.866 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)[C@@H]1CC1(F)F ZINC000638597477 352429212 /nfs/dbraw/zinc/42/92/12/352429212.db2.gz XIBNTHUJUVZMSC-DCAQKATOSA-N 2 2 247.333 0.866 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCC[C@@H]2CCO2)C1 ZINC000638636659 352478969 /nfs/dbraw/zinc/47/89/69/352478969.db2.gz GIGQNOGCLXHHLH-CHWSQXEVSA-N 2 2 242.363 0.866 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCC[C@@H]2CCO2)C1 ZINC000638636659 352478973 /nfs/dbraw/zinc/47/89/73/352478973.db2.gz GIGQNOGCLXHHLH-CHWSQXEVSA-N 2 2 242.363 0.866 20 0 BCADLP CC[C@@H]1C[C@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000638723735 352575551 /nfs/dbraw/zinc/57/55/51/352575551.db2.gz WXROZQJVJKHNNR-KXUCPTDWSA-N 2 2 213.325 0.180 20 0 BCADLP CCN(CC)C(=O)C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000043493558 352637597 /nfs/dbraw/zinc/63/75/97/352637597.db2.gz APKUUWSNZCBXJI-GFCCVEGCSA-N 2 2 241.379 0.786 20 0 BCADLP CCN(CC)C(=O)C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000043493558 352637599 /nfs/dbraw/zinc/63/75/99/352637599.db2.gz APKUUWSNZCBXJI-GFCCVEGCSA-N 2 2 241.379 0.786 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638766659 352706207 /nfs/dbraw/zinc/70/62/07/352706207.db2.gz WSXMMZFJCHBWCZ-SGIHWFKDSA-N 2 2 234.303 0.380 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638766659 352706208 /nfs/dbraw/zinc/70/62/08/352706208.db2.gz WSXMMZFJCHBWCZ-SGIHWFKDSA-N 2 2 234.303 0.380 20 0 BCADLP CC[C@@H](C(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC000334177006 352762557 /nfs/dbraw/zinc/76/25/57/352762557.db2.gz AJNDMSUBVYZFRB-JTQLQIEISA-N 2 2 213.325 0.101 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC000343079259 352955440 /nfs/dbraw/zinc/95/54/40/352955440.db2.gz HAMNSXJNNPTKHL-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC000343079259 352955443 /nfs/dbraw/zinc/95/54/43/352955443.db2.gz HAMNSXJNNPTKHL-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP CO[C@H](C[NH2+]CC[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000638861846 353031243 /nfs/dbraw/zinc/03/12/43/353031243.db2.gz AISUMXSGIXAIST-CHWSQXEVSA-N 2 2 242.363 0.723 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000261928346 535198484 /nfs/dbraw/zinc/19/84/84/535198484.db2.gz LFCOOMYYWBAVCV-UHFFFAOYSA-N 2 2 239.363 0.668 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000261928346 535198490 /nfs/dbraw/zinc/19/84/90/535198490.db2.gz LFCOOMYYWBAVCV-UHFFFAOYSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000638938387 353118245 /nfs/dbraw/zinc/11/82/45/353118245.db2.gz XMGIDXCRFIFXPA-MWLCHTKSSA-N 2 2 244.298 0.896 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000362819320 188072629 /nfs/dbraw/zinc/07/26/29/188072629.db2.gz FCQMIROKNZNRCY-SCZZXKLOSA-N 2 2 222.292 0.224 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000362819320 188072632 /nfs/dbraw/zinc/07/26/32/188072632.db2.gz FCQMIROKNZNRCY-SCZZXKLOSA-N 2 2 222.292 0.224 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000362819320 188072633 /nfs/dbraw/zinc/07/26/33/188072633.db2.gz FCQMIROKNZNRCY-SCZZXKLOSA-N 2 2 222.292 0.224 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000362819320 188072635 /nfs/dbraw/zinc/07/26/35/188072635.db2.gz FCQMIROKNZNRCY-SCZZXKLOSA-N 2 2 222.292 0.224 20 0 BCADLP CCn1cc[nH+]c1CN1CC[NH2+][C@H](C)C1 ZINC000083814863 353181310 /nfs/dbraw/zinc/18/13/10/353181310.db2.gz MKLFZARMJGWPMC-SNVBAGLBSA-N 2 2 208.309 0.697 20 0 BCADLP CC(C)[C@H]([NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000163655873 188160249 /nfs/dbraw/zinc/16/02/49/188160249.db2.gz CVUBATNEEVLODY-LBPRGKRZSA-N 2 2 246.314 0.934 20 0 BCADLP CC[NH+]1CCN(CCCn2cc[nH+]c2)CC1 ZINC000182621307 188168261 /nfs/dbraw/zinc/16/82/61/188168261.db2.gz VEYHAHSEVPDEAV-UHFFFAOYSA-N 2 2 222.336 0.911 20 0 BCADLP C/C=C/C[C@H](CO)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336766957 188175517 /nfs/dbraw/zinc/17/55/17/188175517.db2.gz SPXXHSSOLIGTJM-MRPUBWEVSA-N 2 2 212.337 0.853 20 0 BCADLP C/C=C/C[C@H](CO)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336766957 188175519 /nfs/dbraw/zinc/17/55/19/188175519.db2.gz SPXXHSSOLIGTJM-MRPUBWEVSA-N 2 2 212.337 0.853 20 0 BCADLP C(C[NH+]1CCOCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336700611 188183141 /nfs/dbraw/zinc/18/31/41/188183141.db2.gz LHYZBJINUMDNBA-CYBMUJFWSA-N 2 2 239.363 0.099 20 0 BCADLP C(C[NH+]1CCOCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000336700611 188183143 /nfs/dbraw/zinc/18/31/43/188183143.db2.gz LHYZBJINUMDNBA-CYBMUJFWSA-N 2 2 239.363 0.099 20 0 BCADLP CCC[NH2+][C@@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000639016639 353273846 /nfs/dbraw/zinc/27/38/46/353273846.db2.gz MDDZKOQTAYXRAZ-VIFPVBQESA-N 2 2 224.308 0.756 20 0 BCADLP CNC(=O)c1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000043324430 188216459 /nfs/dbraw/zinc/21/64/59/188216459.db2.gz XGHBMGQHNGXAPE-ZDUSSCGKSA-N 2 2 247.342 0.888 20 0 BCADLP C[C@H]([NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000165238197 353259136 /nfs/dbraw/zinc/25/91/36/353259136.db2.gz PUOUFEOEOPKLJD-VIFPVBQESA-N 2 2 222.292 0.347 20 0 BCADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000122116842 324029718 /nfs/dbraw/zinc/02/97/18/324029718.db2.gz YSCZKPPXZQUTQB-RYUDHWBXSA-N 3 2 213.369 0.868 20 0 BCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000122116842 324029722 /nfs/dbraw/zinc/02/97/22/324029722.db2.gz YSCZKPPXZQUTQB-RYUDHWBXSA-N 3 2 213.369 0.868 20 0 BCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)CC[C@H]1[NH3+] ZINC000251891144 353293767 /nfs/dbraw/zinc/29/37/67/353293767.db2.gz VOKCQMVFBZWHEZ-MWLCHTKSSA-N 2 2 225.336 0.276 20 0 BCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)CC[C@H]1[NH3+] ZINC000251891144 353293769 /nfs/dbraw/zinc/29/37/69/353293769.db2.gz VOKCQMVFBZWHEZ-MWLCHTKSSA-N 2 2 225.336 0.276 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1CCCCO1 ZINC000252962648 353313172 /nfs/dbraw/zinc/31/31/72/353313172.db2.gz PETWFIHRKYNVKH-FRRDWIJNSA-N 2 2 242.363 0.912 20 0 BCADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccnn1C ZINC000253191544 353317882 /nfs/dbraw/zinc/31/78/82/353317882.db2.gz MEHGHSIOTSYCJR-CMPLNLGQSA-N 2 2 222.336 0.850 20 0 BCADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccnn1C ZINC000253191544 353317884 /nfs/dbraw/zinc/31/78/84/353317884.db2.gz MEHGHSIOTSYCJR-CMPLNLGQSA-N 2 2 222.336 0.850 20 0 BCADLP Cc1ncsc1CC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000165513035 353380888 /nfs/dbraw/zinc/38/08/88/353380888.db2.gz CCUPSBJHVXKHBF-SNVBAGLBSA-N 2 2 241.360 0.654 20 0 BCADLP Cc1ncsc1CC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000165513035 353380889 /nfs/dbraw/zinc/38/08/89/353380889.db2.gz CCUPSBJHVXKHBF-SNVBAGLBSA-N 2 2 241.360 0.654 20 0 BCADLP O=C1C[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)CCCN1 ZINC000639071199 353386764 /nfs/dbraw/zinc/38/67/64/353386764.db2.gz HRUBKXUSQHTXOV-WDEREUQCSA-N 2 2 248.330 0.456 20 0 BCADLP Cn1cncc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000085282035 538116101 /nfs/dbraw/zinc/11/61/01/538116101.db2.gz SNDVSAPUDAHQLG-UWVGGRQHSA-N 2 2 206.293 0.071 20 0 BCADLP Cn1c[nH+]cc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000085282035 538116102 /nfs/dbraw/zinc/11/61/02/538116102.db2.gz SNDVSAPUDAHQLG-UWVGGRQHSA-N 2 2 206.293 0.071 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)C1([NH3+])CCCC1 ZINC000037823040 358479177 /nfs/dbraw/zinc/47/91/77/358479177.db2.gz XTDBNGFBSOEWRA-UHFFFAOYSA-N 2 2 236.319 0.650 20 0 BCADLP Cc1cc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c(C#N)c[nH+]1 ZINC000399004243 353552242 /nfs/dbraw/zinc/55/22/42/353552242.db2.gz VVWDEIRSLGUJNJ-VXGBXAGGSA-N 2 2 228.299 0.917 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]1C1CC1 ZINC000577865421 366091594 /nfs/dbraw/zinc/09/15/94/366091594.db2.gz AMDJRDPMSVYBRE-NWDGAFQWSA-N 2 2 212.337 0.783 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]1C1CC1 ZINC000577865421 366091597 /nfs/dbraw/zinc/09/15/97/366091597.db2.gz AMDJRDPMSVYBRE-NWDGAFQWSA-N 2 2 212.337 0.783 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]1C1CC1 ZINC000577865421 366091598 /nfs/dbraw/zinc/09/15/98/366091598.db2.gz AMDJRDPMSVYBRE-NWDGAFQWSA-N 2 2 212.337 0.783 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]1C1CC1 ZINC000577865421 366091600 /nfs/dbraw/zinc/09/16/00/366091600.db2.gz AMDJRDPMSVYBRE-NWDGAFQWSA-N 2 2 212.337 0.783 20 0 BCADLP Cn1ccnc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037904962 358480148 /nfs/dbraw/zinc/48/01/48/358480148.db2.gz ITLHIZBOGCEJSJ-NSHDSACASA-N 2 2 234.347 0.994 20 0 BCADLP Cn1ccnc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037904962 358480150 /nfs/dbraw/zinc/48/01/50/358480150.db2.gz ITLHIZBOGCEJSJ-NSHDSACASA-N 2 2 234.347 0.994 20 0 BCADLP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCNC1=O ZINC000178204689 366105239 /nfs/dbraw/zinc/10/52/39/366105239.db2.gz NTLZXCBNMALYRO-WDEREUQCSA-N 2 2 225.336 0.149 20 0 BCADLP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCNC1=O ZINC000178204689 366105245 /nfs/dbraw/zinc/10/52/45/366105245.db2.gz NTLZXCBNMALYRO-WDEREUQCSA-N 2 2 225.336 0.149 20 0 BCADLP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCNC1=O ZINC000178204689 366105250 /nfs/dbraw/zinc/10/52/50/366105250.db2.gz NTLZXCBNMALYRO-WDEREUQCSA-N 2 2 225.336 0.149 20 0 BCADLP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCNC1=O ZINC000178204689 366105254 /nfs/dbraw/zinc/10/52/54/366105254.db2.gz NTLZXCBNMALYRO-WDEREUQCSA-N 2 2 225.336 0.149 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](C)OC ZINC000308980295 353774211 /nfs/dbraw/zinc/77/42/11/353774211.db2.gz DQACBLXUKGZRRT-GHMZBOCLSA-N 2 2 218.341 0.266 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](C)OC ZINC000308980295 353774213 /nfs/dbraw/zinc/77/42/13/353774213.db2.gz DQACBLXUKGZRRT-GHMZBOCLSA-N 2 2 218.341 0.266 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H](C)OC ZINC000308980295 353774215 /nfs/dbraw/zinc/77/42/15/353774215.db2.gz DQACBLXUKGZRRT-GHMZBOCLSA-N 2 2 218.341 0.266 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H](C)OC ZINC000308980295 353774218 /nfs/dbraw/zinc/77/42/18/353774218.db2.gz DQACBLXUKGZRRT-GHMZBOCLSA-N 2 2 218.341 0.266 20 0 BCADLP COCC[C@H](CO)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000343589339 353940864 /nfs/dbraw/zinc/94/08/64/353940864.db2.gz GOBVCGSQBKDSFO-NQBHXWOUSA-N 2 2 242.363 0.456 20 0 BCADLP COCC[C@H](CO)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000343589339 353940866 /nfs/dbraw/zinc/94/08/66/353940866.db2.gz GOBVCGSQBKDSFO-NQBHXWOUSA-N 2 2 242.363 0.456 20 0 BCADLP COCC[C@H](CO)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000343589337 353941209 /nfs/dbraw/zinc/94/12/09/353941209.db2.gz GOBVCGSQBKDSFO-DMDPSCGWSA-N 2 2 242.363 0.456 20 0 BCADLP COCC[C@H](CO)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000343589337 353941210 /nfs/dbraw/zinc/94/12/10/353941210.db2.gz GOBVCGSQBKDSFO-DMDPSCGWSA-N 2 2 242.363 0.456 20 0 BCADLP CC(C)COC[C@H](O)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000343710219 353968841 /nfs/dbraw/zinc/96/88/41/353968841.db2.gz JJKMHWQIMHBEFK-JHJVBQTASA-N 2 2 244.379 0.560 20 0 BCADLP CC(C)COC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000343710219 353968843 /nfs/dbraw/zinc/96/88/43/353968843.db2.gz JJKMHWQIMHBEFK-JHJVBQTASA-N 2 2 244.379 0.560 20 0 BCADLP CCN(CC[NH3+])C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000627118153 363284462 /nfs/dbraw/zinc/28/44/62/363284462.db2.gz RXSVNVGNYGLKNK-VIFPVBQESA-N 2 2 239.323 0.471 20 0 BCADLP O=C(NC[C@H]1CCC[NH2+]1)[C@H]1CCn2cc[nH+]c2C1 ZINC000623176046 354002496 /nfs/dbraw/zinc/00/24/96/354002496.db2.gz BRWYEQMYTZMRLN-WDEREUQCSA-N 2 2 248.330 0.314 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+]CC(C)(C)N1CCOCC1 ZINC000639169375 354063334 /nfs/dbraw/zinc/06/33/34/354063334.db2.gz ZYWIFGCPPZZRMF-LBPRGKRZSA-N 2 2 243.395 0.637 20 0 BCADLP O=C(NC[C@@H]1CC[NH2+]C1)c1ccc2[nH+]ccn2c1 ZINC000272962826 188556418 /nfs/dbraw/zinc/55/64/18/188556418.db2.gz ABUUMUCWHWYXJU-SNVBAGLBSA-N 2 2 244.298 0.674 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NCc1[nH]cc[nH+]1 ZINC000165911167 354095546 /nfs/dbraw/zinc/09/55/46/354095546.db2.gz GIKGRWPVQYYTPK-ONGXEEELSA-N 2 2 220.320 0.982 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCc1[nH]cc[nH+]1 ZINC000165911167 354095548 /nfs/dbraw/zinc/09/55/48/354095548.db2.gz GIKGRWPVQYYTPK-ONGXEEELSA-N 2 2 220.320 0.982 20 0 BCADLP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[NH2+]C1 ZINC000230484897 363312435 /nfs/dbraw/zinc/31/24/35/363312435.db2.gz INJWMVNCWXSKSI-WDEREUQCSA-N 2 2 200.326 0.735 20 0 BCADLP COC1CC([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000230672962 363318552 /nfs/dbraw/zinc/31/85/52/363318552.db2.gz LOOVQKABVWSQOO-GRZMOONWSA-N 2 2 210.321 0.990 20 0 BCADLP COC1CC([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000230672962 363318557 /nfs/dbraw/zinc/31/85/57/363318557.db2.gz LOOVQKABVWSQOO-GRZMOONWSA-N 2 2 210.321 0.990 20 0 BCADLP CNC(=O)CC[N@H+](C)CC[NH2+]C(C)(C)C ZINC000230978521 363332574 /nfs/dbraw/zinc/33/25/74/363332574.db2.gz RVDLSQAAZOEAML-UHFFFAOYSA-N 2 2 215.341 0.442 20 0 BCADLP CNC(=O)CC[N@@H+](C)CC[NH2+]C(C)(C)C ZINC000230978521 363332577 /nfs/dbraw/zinc/33/25/77/363332577.db2.gz RVDLSQAAZOEAML-UHFFFAOYSA-N 2 2 215.341 0.442 20 0 BCADLP C[C@]1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[NH2+]C1 ZINC000623180566 354244818 /nfs/dbraw/zinc/24/48/18/354244818.db2.gz MZSJASXFDGFTGV-GWCFXTLKSA-N 2 2 248.330 0.314 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@](C)(O)CCOC)C1 ZINC000344316348 354221967 /nfs/dbraw/zinc/22/19/67/354221967.db2.gz JWECGUVMQHPMQX-XQQFMLRXSA-N 2 2 244.379 0.704 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@](C)(O)CCOC)C1 ZINC000344316348 354221968 /nfs/dbraw/zinc/22/19/68/354221968.db2.gz JWECGUVMQHPMQX-XQQFMLRXSA-N 2 2 244.379 0.704 20 0 BCADLP COCCN1CC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000344486946 354286387 /nfs/dbraw/zinc/28/63/87/354286387.db2.gz SEDUWZMEENUELM-AGIUHOORSA-N 2 2 241.379 0.247 20 0 BCADLP COCCN1CC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000344486946 354286388 /nfs/dbraw/zinc/28/63/88/354286388.db2.gz SEDUWZMEENUELM-AGIUHOORSA-N 2 2 241.379 0.247 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCO[C@H]1CCOC1 ZINC000344626152 354330001 /nfs/dbraw/zinc/33/00/01/354330001.db2.gz BWGVYLOKGKYOCV-AGIUHOORSA-N 2 2 242.363 0.722 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCO[C@H]1CCOC1 ZINC000344626152 354330004 /nfs/dbraw/zinc/33/00/04/354330004.db2.gz BWGVYLOKGKYOCV-AGIUHOORSA-N 2 2 242.363 0.722 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCO[C@H]1CCOC1 ZINC000344626154 354330187 /nfs/dbraw/zinc/33/01/87/354330187.db2.gz BWGVYLOKGKYOCV-FRRDWIJNSA-N 2 2 242.363 0.722 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCO[C@H]1CCOC1 ZINC000344626154 354330188 /nfs/dbraw/zinc/33/01/88/354330188.db2.gz BWGVYLOKGKYOCV-FRRDWIJNSA-N 2 2 242.363 0.722 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@]1(CCO)CCOC1 ZINC000344799977 354376487 /nfs/dbraw/zinc/37/64/87/354376487.db2.gz VTKYODSJKYOMAK-JHJVBQTASA-N 2 2 242.363 0.315 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@]1(CCO)CCOC1 ZINC000344799977 354376489 /nfs/dbraw/zinc/37/64/89/354376489.db2.gz VTKYODSJKYOMAK-JHJVBQTASA-N 2 2 242.363 0.315 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(C(N)=O)nc1 ZINC000344974360 354386523 /nfs/dbraw/zinc/38/65/23/354386523.db2.gz PBJKLILWLSZTOP-JOYOIKCWSA-N 2 2 248.330 0.220 20 0 BCADLP CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC[NH3+])C1 ZINC000345550271 354711335 /nfs/dbraw/zinc/71/13/35/354711335.db2.gz GWXVFSNBAFPMIV-NEPJUHHUSA-N 2 2 241.379 0.962 20 0 BCADLP CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CC[NH3+])C1 ZINC000345550271 354711336 /nfs/dbraw/zinc/71/13/36/354711336.db2.gz GWXVFSNBAFPMIV-NEPJUHHUSA-N 2 2 241.379 0.962 20 0 BCADLP C[C@@H]1[C@H](C)N(Cc2c[nH+]cn2C)CC[N@H+]1C ZINC000335946480 134020445 /nfs/dbraw/zinc/02/04/45/134020445.db2.gz SMOJESAACRWMLQ-MNOVXSKESA-N 2 2 222.336 0.945 20 0 BCADLP C[C@@H]1[C@H](C)N(Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC000335946480 134020446 /nfs/dbraw/zinc/02/04/46/134020446.db2.gz SMOJESAACRWMLQ-MNOVXSKESA-N 2 2 222.336 0.945 20 0 BCADLP NC(=O)C[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000346271482 354886479 /nfs/dbraw/zinc/88/64/79/354886479.db2.gz DHWFMOFTULFTOC-LLVKDONJSA-N 2 2 236.319 0.471 20 0 BCADLP NC(=O)C[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000346271482 354886481 /nfs/dbraw/zinc/88/64/81/354886481.db2.gz DHWFMOFTULFTOC-LLVKDONJSA-N 2 2 236.319 0.471 20 0 BCADLP C[C@H](C[NH2+]C1CCC(O)CC1)[NH+](C)C ZINC000235470720 363445633 /nfs/dbraw/zinc/44/56/33/363445633.db2.gz IHPPBSWOBOBUCO-KPPDAEKUSA-N 2 2 200.326 0.830 20 0 BCADLP CNc1nc(NCCCC[NH3+])[nH+]c2ccccc21 ZINC000420231415 192180664 /nfs/dbraw/zinc/18/06/64/192180664.db2.gz KDOGKTAESVOUQL-UHFFFAOYSA-N 2 2 245.330 0.666 20 0 BCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[NH+](C)CC1 ZINC000346827999 355127872 /nfs/dbraw/zinc/12/78/72/355127872.db2.gz ZFGSCULOVPLDDF-LLVKDONJSA-N 2 2 241.379 0.927 20 0 BCADLP C[NH+](C)C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000346842133 355134211 /nfs/dbraw/zinc/13/42/11/355134211.db2.gz WPCZKKNERTWWAR-CYBMUJFWSA-N 3 2 241.379 0.248 20 0 BCADLP C[NH+](C)C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000346842133 355134213 /nfs/dbraw/zinc/13/42/13/355134213.db2.gz WPCZKKNERTWWAR-CYBMUJFWSA-N 3 2 241.379 0.248 20 0 BCADLP C[NH+]1CCC(CC(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000346979441 355213231 /nfs/dbraw/zinc/21/32/31/355213231.db2.gz YSGQTTBYPROBEH-UHFFFAOYSA-N 2 2 236.319 0.758 20 0 BCADLP CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(C)(C)[NH3+])[C@@H]2C1 ZINC000346966009 355173204 /nfs/dbraw/zinc/17/32/04/355173204.db2.gz CJYJMPOGHZFFLK-UTUOFQBUSA-N 2 2 242.363 0.992 20 0 BCADLP CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(C)(C)[NH3+])[C@@H]2C1 ZINC000346966009 355173207 /nfs/dbraw/zinc/17/32/07/355173207.db2.gz CJYJMPOGHZFFLK-UTUOFQBUSA-N 2 2 242.363 0.992 20 0 BCADLP C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346999715 355197118 /nfs/dbraw/zinc/19/71/18/355197118.db2.gz YYBGJRMKSLXYJH-MNOVXSKESA-N 2 2 248.392 0.351 20 0 BCADLP C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346999715 355197120 /nfs/dbraw/zinc/19/71/20/355197120.db2.gz YYBGJRMKSLXYJH-MNOVXSKESA-N 2 2 248.392 0.351 20 0 BCADLP Cn1nnc2cc(C[N@@H+]3CCC[C@H]3C[NH3+])ccc21 ZINC000347015448 355205648 /nfs/dbraw/zinc/20/56/48/355205648.db2.gz JGRZJGIHDQLGJL-NSHDSACASA-N 2 2 245.330 0.891 20 0 BCADLP Cn1nnc2cc(C[N@H+]3CCC[C@H]3C[NH3+])ccc21 ZINC000347015448 355205651 /nfs/dbraw/zinc/20/56/51/355205651.db2.gz JGRZJGIHDQLGJL-NSHDSACASA-N 2 2 245.330 0.891 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113514641 355251051 /nfs/dbraw/zinc/25/10/51/355251051.db2.gz LMCWUXRWEVKGIH-NSHDSACASA-N 2 2 227.352 0.396 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113514641 355251052 /nfs/dbraw/zinc/25/10/52/355251052.db2.gz LMCWUXRWEVKGIH-NSHDSACASA-N 2 2 227.352 0.396 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515567 355252008 /nfs/dbraw/zinc/25/20/08/355252008.db2.gz HMBSOUZZGBSZID-LBPRGKRZSA-N 2 2 241.379 0.786 20 0 BCADLP CCCCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515567 355252009 /nfs/dbraw/zinc/25/20/09/355252009.db2.gz HMBSOUZZGBSZID-LBPRGKRZSA-N 2 2 241.379 0.786 20 0 BCADLP CO[C@@H](C[NH2+]CC1([NH+](C)C)CC1)[C@@H]1CCOC1 ZINC000639271666 355340656 /nfs/dbraw/zinc/34/06/56/355340656.db2.gz PEGIBIZQZZHTGP-NEPJUHHUSA-N 2 2 242.363 0.722 20 0 BCADLP C[C@H]1C[C@@H](O)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000314638101 355359230 /nfs/dbraw/zinc/35/92/30/355359230.db2.gz UNLTZQONBQVSLW-CMPLNLGQSA-N 2 2 223.320 0.808 20 0 BCADLP C[C@H]1C[C@@H](O)C[N@H+]1CCCc1c[nH+]cn1C ZINC000314638101 355359235 /nfs/dbraw/zinc/35/92/35/355359235.db2.gz UNLTZQONBQVSLW-CMPLNLGQSA-N 2 2 223.320 0.808 20 0 BCADLP [NH2+]=C(NO)[C@H]1CCCC[N@H+]1CCCCCO ZINC000376078124 181200627 /nfs/dbraw/zinc/20/06/27/181200627.db2.gz CRQUHTZDZLYHPY-SNVBAGLBSA-N 2 2 229.324 0.960 20 0 BCADLP [NH2+]=C(NO)[C@H]1CCCC[N@@H+]1CCCCCO ZINC000376078124 181200630 /nfs/dbraw/zinc/20/06/30/181200630.db2.gz CRQUHTZDZLYHPY-SNVBAGLBSA-N 2 2 229.324 0.960 20 0 BCADLP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415068076 191666414 /nfs/dbraw/zinc/66/64/14/191666414.db2.gz VDZNMZDYHJTLEP-KKJSVHSVSA-N 3 2 209.337 0.324 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000389189027 355805347 /nfs/dbraw/zinc/80/53/47/355805347.db2.gz UEUXOIJBIITXLZ-ZDUSSCGKSA-N 2 2 247.342 0.969 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000389189027 355805348 /nfs/dbraw/zinc/80/53/48/355805348.db2.gz UEUXOIJBIITXLZ-ZDUSSCGKSA-N 2 2 247.342 0.969 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+]CCC2CCOCC2)C1 ZINC000639356773 355811489 /nfs/dbraw/zinc/81/14/89/355811489.db2.gz GXJAZCREVNGRLZ-ZDUSSCGKSA-N 2 2 242.363 0.459 20 0 BCADLP O[C@H]1CC[N@@H+](CC[NH2+]CCC2CCOCC2)C1 ZINC000639356773 355811493 /nfs/dbraw/zinc/81/14/93/355811493.db2.gz GXJAZCREVNGRLZ-ZDUSSCGKSA-N 2 2 242.363 0.459 20 0 BCADLP COCCC[N@H+](C)CC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000166733623 355833946 /nfs/dbraw/zinc/83/39/46/355833946.db2.gz MZOAIBSBYQZSKP-CHWSQXEVSA-N 2 2 244.379 0.969 20 0 BCADLP COCCC[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000166733623 355833948 /nfs/dbraw/zinc/83/39/48/355833948.db2.gz MZOAIBSBYQZSKP-CHWSQXEVSA-N 2 2 244.379 0.969 20 0 BCADLP CCC[NH+]1CCC([NH2+]CC(=O)NC(C)C)CC1 ZINC000035136098 355845794 /nfs/dbraw/zinc/84/57/94/355845794.db2.gz GFUFTFNZNSNRTL-UHFFFAOYSA-N 2 2 241.379 0.975 20 0 BCADLP CC[NH+]1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000041285647 355874103 /nfs/dbraw/zinc/87/41/03/355874103.db2.gz RWYSJFVYIYEFCB-UHFFFAOYSA-N 2 2 241.379 0.346 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1[C@@H](C)C[C@@H]1C ZINC000583638620 355940642 /nfs/dbraw/zinc/94/06/42/355940642.db2.gz CUKGADQBTGTACD-DCAQKATOSA-N 2 2 200.326 0.782 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1[C@@H](C)C[C@@H]1C ZINC000583638620 355940644 /nfs/dbraw/zinc/94/06/44/355940644.db2.gz CUKGADQBTGTACD-DCAQKATOSA-N 2 2 200.326 0.782 20 0 BCADLP C[C@H](O)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000520423480 355920752 /nfs/dbraw/zinc/92/07/52/355920752.db2.gz AORRKILSTSQAJZ-JTQLQIEISA-N 2 2 224.308 0.303 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000167344277 355984894 /nfs/dbraw/zinc/98/48/94/355984894.db2.gz NNNASQUQBOHCHI-ZJUUUORDSA-N 2 2 225.336 0.337 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000167344277 355984901 /nfs/dbraw/zinc/98/49/01/355984901.db2.gz NNNASQUQBOHCHI-ZJUUUORDSA-N 2 2 225.336 0.337 20 0 BCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000167452001 356017950 /nfs/dbraw/zinc/01/79/50/356017950.db2.gz YNPYUWPZBAZBBJ-RKDXNWHRSA-N 2 2 222.292 0.414 20 0 BCADLP Cc1cc(C)c(CNC(=O)N[C@@H](C)C[NH3+])c[nH+]1 ZINC000418273033 192010741 /nfs/dbraw/zinc/01/07/41/192010741.db2.gz XZZQZVFYJPYXBA-JTQLQIEISA-N 2 2 236.319 0.845 20 0 BCADLP CN(Cc1c[nH+]cn1C)[C@@H]1C[NH+]2CCC1CC2 ZINC000639400224 356137074 /nfs/dbraw/zinc/13/70/74/356137074.db2.gz ZMTBOKSGIJMAJC-CYBMUJFWSA-N 2 2 234.347 0.946 20 0 BCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623261570 356148957 /nfs/dbraw/zinc/14/89/57/356148957.db2.gz XHUFNOJRWYXOOV-ZYHUDNBSSA-N 2 2 248.330 0.408 20 0 BCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623261570 356148960 /nfs/dbraw/zinc/14/89/60/356148960.db2.gz XHUFNOJRWYXOOV-ZYHUDNBSSA-N 2 2 248.330 0.408 20 0 BCADLP C[NH+](C)C1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000639450730 356235721 /nfs/dbraw/zinc/23/57/21/356235721.db2.gz YKNQKCLHRIBPSV-LBPRGKRZSA-N 2 2 249.362 0.791 20 0 BCADLP Cn1c[nH+]cc1CCN1CCC[N@H+](C)CC1 ZINC000639445928 356227231 /nfs/dbraw/zinc/22/72/31/356227231.db2.gz VQNMOABNRAGZJY-UHFFFAOYSA-N 2 2 222.336 0.600 20 0 BCADLP Cn1c[nH+]cc1CCN1CCC[N@@H+](C)CC1 ZINC000639445928 356227234 /nfs/dbraw/zinc/22/72/34/356227234.db2.gz VQNMOABNRAGZJY-UHFFFAOYSA-N 2 2 222.336 0.600 20 0 BCADLP CC[C@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)[NH+](C)C ZINC000623263974 356228041 /nfs/dbraw/zinc/22/80/41/356228041.db2.gz BZFOHNXEVBZKHX-GXSJLCMTSA-N 2 2 236.319 0.264 20 0 BCADLP CC[N@H+](CC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623263094 356197982 /nfs/dbraw/zinc/19/79/82/356197982.db2.gz BLRJTBFBFVOFIV-JTQLQIEISA-N 2 2 248.330 0.408 20 0 BCADLP CC[N@@H+](CC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623263094 356197984 /nfs/dbraw/zinc/19/79/84/356197984.db2.gz BLRJTBFBFVOFIV-JTQLQIEISA-N 2 2 248.330 0.408 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000420257130 192189015 /nfs/dbraw/zinc/18/90/15/192189015.db2.gz DNKXYUPYDZAWRU-UHNVWZDZSA-N 2 2 215.688 0.860 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](CCO)CC1CC1 ZINC000639460697 356244517 /nfs/dbraw/zinc/24/45/17/356244517.db2.gz MEVLIYUGNRQXKR-UHFFFAOYSA-N 2 2 223.320 0.667 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](CCO)CC1CC1 ZINC000639460697 356244519 /nfs/dbraw/zinc/24/45/19/356244519.db2.gz MEVLIYUGNRQXKR-UHFFFAOYSA-N 2 2 223.320 0.667 20 0 BCADLP C[NH2+]C1CC[NH+]([C@@H]2CCN(C(C)C)C2=O)CC1 ZINC000336126343 134093106 /nfs/dbraw/zinc/09/31/06/134093106.db2.gz HTHRSLPUQSRQFO-GFCCVEGCSA-N 2 2 239.363 0.680 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623265816 356299117 /nfs/dbraw/zinc/29/91/17/356299117.db2.gz LLHKYCPIAZCMPC-KOLCDFICSA-N 2 2 234.303 0.018 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623265816 356299118 /nfs/dbraw/zinc/29/91/18/356299118.db2.gz LLHKYCPIAZCMPC-KOLCDFICSA-N 2 2 234.303 0.018 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000420282359 192200582 /nfs/dbraw/zinc/20/05/82/192200582.db2.gz BIPDUDONRMDOGP-LLVKDONJSA-N 2 2 227.352 0.668 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000420282359 192200583 /nfs/dbraw/zinc/20/05/83/192200583.db2.gz BIPDUDONRMDOGP-LLVKDONJSA-N 2 2 227.352 0.668 20 0 BCADLP CCOC(=O)CC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000420290945 192200750 /nfs/dbraw/zinc/20/07/50/192200750.db2.gz MQXJGZSNYDTSEH-SECBINFHSA-N 2 2 200.282 0.363 20 0 BCADLP CCOC(=O)CC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000420290945 192200752 /nfs/dbraw/zinc/20/07/52/192200752.db2.gz MQXJGZSNYDTSEH-SECBINFHSA-N 2 2 200.282 0.363 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CCC[C@H]1C[NH2+]C ZINC000420287552 192201279 /nfs/dbraw/zinc/20/12/79/192201279.db2.gz IEVDNMXDUYJATP-NSHDSACASA-N 2 2 227.352 0.539 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CCC[C@H]1C[NH2+]C ZINC000420287552 192201282 /nfs/dbraw/zinc/20/12/82/192201282.db2.gz IEVDNMXDUYJATP-NSHDSACASA-N 2 2 227.352 0.539 20 0 BCADLP CCOCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768541 356331091 /nfs/dbraw/zinc/33/10/91/356331091.db2.gz INPDFTHIASFWSB-UHFFFAOYSA-N 2 2 245.367 0.023 20 0 BCADLP CCOCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768541 356331094 /nfs/dbraw/zinc/33/10/94/356331094.db2.gz INPDFTHIASFWSB-UHFFFAOYSA-N 2 2 245.367 0.023 20 0 BCADLP CCOC(=O)CC[N@@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000420344719 192215535 /nfs/dbraw/zinc/21/55/35/192215535.db2.gz UJKSSCUGRXBJEX-WDEREUQCSA-N 2 2 228.336 0.999 20 0 BCADLP CCOC(=O)CC[N@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000420344719 192215538 /nfs/dbraw/zinc/21/55/38/192215538.db2.gz UJKSSCUGRXBJEX-WDEREUQCSA-N 2 2 228.336 0.999 20 0 BCADLP C[C@H]1CC[N@H+](CCOCC[NH3+])[C@H](C[NH3+])C1 ZINC000420344722 192216112 /nfs/dbraw/zinc/21/61/12/192216112.db2.gz UJMONSZXPOQMNJ-QWRGUYRKSA-N 3 2 215.341 0.021 20 0 BCADLP C[C@H]1CC[N@@H+](CCOCC[NH3+])[C@H](C[NH3+])C1 ZINC000420344722 192216115 /nfs/dbraw/zinc/21/61/15/192216115.db2.gz UJMONSZXPOQMNJ-QWRGUYRKSA-N 3 2 215.341 0.021 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)C[C@H]1CCOC1 ZINC000639510695 356344400 /nfs/dbraw/zinc/34/44/00/356344400.db2.gz CUKSMYCWXBDTAP-LLVKDONJSA-N 2 2 223.320 0.931 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)C[C@H]1CCOC1 ZINC000639510695 356344402 /nfs/dbraw/zinc/34/44/02/356344402.db2.gz CUKSMYCWXBDTAP-LLVKDONJSA-N 2 2 223.320 0.931 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1cccnc1 ZINC000420351931 192217402 /nfs/dbraw/zinc/21/74/02/192217402.db2.gz LCLNOHOQBJVXCE-JQWIXIFHSA-N 2 2 248.330 0.832 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1cccnc1 ZINC000420351931 192217404 /nfs/dbraw/zinc/21/74/04/192217404.db2.gz LCLNOHOQBJVXCE-JQWIXIFHSA-N 2 2 248.330 0.832 20 0 BCADLP C[C@H]1CCCN(C(=O)C[NH2+]CC2([NH3+])CCC2)C1 ZINC000420300407 192207992 /nfs/dbraw/zinc/20/79/92/192207992.db2.gz CQKAHAFFXRIJHL-NSHDSACASA-N 2 2 239.363 0.716 20 0 BCADLP Cn1c[nH+]cc1CC[NH+]1CCC(C)(O)CC1 ZINC000639517652 356358824 /nfs/dbraw/zinc/35/88/24/356358824.db2.gz MHJGCLHTMVMEIW-UHFFFAOYSA-N 2 2 223.320 0.809 20 0 BCADLP COC(=O)c1ccc(C[NH2+]CC2([NH3+])CCC2)nc1 ZINC000420310105 192211655 /nfs/dbraw/zinc/21/16/55/192211655.db2.gz PLFIYRZAWNFKDB-UHFFFAOYSA-N 2 2 249.314 0.839 20 0 BCADLP CCCCCNC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000420315000 192212387 /nfs/dbraw/zinc/21/23/87/192212387.db2.gz RIVLSXFVTLOHFG-TXEJJXNPSA-N 2 2 239.363 0.444 20 0 BCADLP CCCCCNC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000420315000 192212389 /nfs/dbraw/zinc/21/23/89/192212389.db2.gz RIVLSXFVTLOHFG-TXEJJXNPSA-N 2 2 239.363 0.444 20 0 BCADLP CCOC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C ZINC000420368981 192225907 /nfs/dbraw/zinc/22/59/07/192225907.db2.gz XGHOHGAGYHMDCM-SNVBAGLBSA-N 2 2 214.309 0.623 20 0 BCADLP CCOC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C ZINC000420368981 192225908 /nfs/dbraw/zinc/22/59/08/192225908.db2.gz XGHOHGAGYHMDCM-SNVBAGLBSA-N 2 2 214.309 0.623 20 0 BCADLP [NH3+]C[C@H]([NH2+]CC(=O)NC1CC1)C1CCCCC1 ZINC000420370209 192226752 /nfs/dbraw/zinc/22/67/52/192226752.db2.gz YRIZNNFDEFYPNJ-LBPRGKRZSA-N 2 2 239.363 0.762 20 0 BCADLP Cc1cnc(N2CC[NH+](CCC[NH3+])CC2)s1 ZINC000420324334 192228923 /nfs/dbraw/zinc/22/89/23/192228923.db2.gz VKAXAGRVCZUTML-UHFFFAOYSA-N 2 2 240.376 0.922 20 0 BCADLP CC(C)(C)NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420357743 192219570 /nfs/dbraw/zinc/21/95/70/192219570.db2.gz HPQGWBIWUYKNSJ-SECBINFHSA-N 2 2 229.368 0.864 20 0 BCADLP CC(C)NC(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420354287 192220926 /nfs/dbraw/zinc/22/09/26/192220926.db2.gz BBGQZKSFFGYEOX-HOSYDEDBSA-N 2 2 227.352 0.487 20 0 BCADLP CCCCNC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420362357 192221141 /nfs/dbraw/zinc/22/11/41/192221141.db2.gz NBBUCSOERSLKCQ-JTQLQIEISA-N 2 2 229.368 0.866 20 0 BCADLP CC[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(N)=O ZINC000420360503 192221164 /nfs/dbraw/zinc/22/11/64/192221164.db2.gz HHBDAWOXSZSFKH-QCLAVDOMSA-N 2 2 213.325 0.226 20 0 BCADLP CCCNC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420361723 192221776 /nfs/dbraw/zinc/22/17/76/192221776.db2.gz IHUNUCHZEJVVJR-NOOOWODRSA-N 2 2 241.379 0.877 20 0 BCADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(=O)N(C)C ZINC000420361149 192223073 /nfs/dbraw/zinc/22/30/73/192223073.db2.gz HVHLWUIKMULSSF-ZRUFSTJUSA-N 2 2 227.352 0.439 20 0 BCADLP CCCNC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420364356 192224456 /nfs/dbraw/zinc/22/44/56/192224456.db2.gz OTVHDIUAPOKSOO-SECBINFHSA-N 2 2 215.341 0.476 20 0 BCADLP C[NH2+]CCC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000420367584 192225299 /nfs/dbraw/zinc/22/52/99/192225299.db2.gz HCGCFFWDQCBMDJ-SRVKXCTJSA-N 2 2 240.347 0.869 20 0 BCADLP C[NH2+]CCC[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000420367584 192225300 /nfs/dbraw/zinc/22/53/00/192225300.db2.gz HCGCFFWDQCBMDJ-SRVKXCTJSA-N 2 2 240.347 0.869 20 0 BCADLP C[NH2+]CCC[N@@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000420369377 192225365 /nfs/dbraw/zinc/22/53/65/192225365.db2.gz ITDAKZRLBGEOGP-QWRGUYRKSA-N 2 2 216.325 0.332 20 0 BCADLP C[NH2+]CCC[N@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000420369377 192225367 /nfs/dbraw/zinc/22/53/67/192225367.db2.gz ITDAKZRLBGEOGP-QWRGUYRKSA-N 2 2 216.325 0.332 20 0 BCADLP C[NH2+]CCC[NH2+][C@](C)(C(N)=O)c1ccccc1 ZINC000420383420 192235306 /nfs/dbraw/zinc/23/53/06/192235306.db2.gz ZQRHJYVSMIQHMO-ZDUSSCGKSA-N 2 2 235.331 0.586 20 0 BCADLP CC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000639543622 356401636 /nfs/dbraw/zinc/40/16/36/356401636.db2.gz LJGRGMPLABKOGR-YNEHKIRRSA-N 2 2 240.347 0.759 20 0 BCADLP CC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000639543622 356401639 /nfs/dbraw/zinc/40/16/39/356401639.db2.gz LJGRGMPLABKOGR-YNEHKIRRSA-N 2 2 240.347 0.759 20 0 BCADLP CC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000639543619 356401651 /nfs/dbraw/zinc/40/16/51/356401651.db2.gz LJGRGMPLABKOGR-FRRDWIJNSA-N 2 2 240.347 0.759 20 0 BCADLP CC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000639543619 356401654 /nfs/dbraw/zinc/40/16/54/356401654.db2.gz LJGRGMPLABKOGR-FRRDWIJNSA-N 2 2 240.347 0.759 20 0 BCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)N1CCCC1 ZINC000420377343 192233701 /nfs/dbraw/zinc/23/37/01/192233701.db2.gz WEMOKWNLKXJKNF-NTZNESFSSA-N 2 2 239.363 0.585 20 0 BCADLP NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCn1cc[nH+]c1 ZINC000368971882 181275976 /nfs/dbraw/zinc/27/59/76/181275976.db2.gz DNKIQQMOUSIEBL-WOPDTQHZSA-N 2 2 248.330 0.469 20 0 BCADLP C[C@@H]1CN(CCc2c[nH+]cn2C)[C@@H](C)C[N@@H+]1C ZINC000639557560 356462114 /nfs/dbraw/zinc/46/21/14/356462114.db2.gz JPFGUINCUYQLDM-NEPJUHHUSA-N 2 2 236.363 0.987 20 0 BCADLP C[C@@H]1CN(CCc2c[nH+]cn2C)[C@@H](C)C[N@H+]1C ZINC000639557560 356462117 /nfs/dbraw/zinc/46/21/17/356462117.db2.gz JPFGUINCUYQLDM-NEPJUHHUSA-N 2 2 236.363 0.987 20 0 BCADLP C[C@@H](O)[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639574921 356497300 /nfs/dbraw/zinc/49/73/00/356497300.db2.gz XHZMDXKFZKXWSE-MNOVXSKESA-N 2 2 223.320 0.665 20 0 BCADLP C[C@@H](O)[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639574921 356497302 /nfs/dbraw/zinc/49/73/02/356497302.db2.gz XHZMDXKFZKXWSE-MNOVXSKESA-N 2 2 223.320 0.665 20 0 BCADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CC[C@@H]1O ZINC000639600405 356520186 /nfs/dbraw/zinc/52/01/86/356520186.db2.gz YFNRFQMUVZQGBT-PWSUYJOCSA-N 2 2 223.320 0.665 20 0 BCADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CC[C@@H]1O ZINC000639600405 356520188 /nfs/dbraw/zinc/52/01/88/356520188.db2.gz YFNRFQMUVZQGBT-PWSUYJOCSA-N 2 2 223.320 0.665 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@](F)(CO)C1 ZINC000639628972 356544750 /nfs/dbraw/zinc/54/47/50/356544750.db2.gz SZUPGWLLYQZDPI-LLVKDONJSA-N 2 2 227.283 0.369 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@](F)(CO)C1 ZINC000639628972 356544756 /nfs/dbraw/zinc/54/47/56/356544756.db2.gz SZUPGWLLYQZDPI-LLVKDONJSA-N 2 2 227.283 0.369 20 0 BCADLP c1[nH]c2c([nH+]1)CC[N@@H+](CCc1cnccn1)C2 ZINC000639646952 356553681 /nfs/dbraw/zinc/55/36/81/356553681.db2.gz WFFWKSXFLYBRCB-UHFFFAOYSA-N 2 2 229.287 0.801 20 0 BCADLP c1[nH]c2c([nH+]1)CC[N@H+](CCc1cnccn1)C2 ZINC000639646952 356553685 /nfs/dbraw/zinc/55/36/85/356553685.db2.gz WFFWKSXFLYBRCB-UHFFFAOYSA-N 2 2 229.287 0.801 20 0 BCADLP C[NH+](C)C1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000623298614 356555526 /nfs/dbraw/zinc/55/55/26/356555526.db2.gz FWZNEXANOLIQFQ-JTQLQIEISA-N 2 2 248.330 0.408 20 0 BCADLP c1nc2n(n1)[C@H](C[N@@H+]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000639645587 356558562 /nfs/dbraw/zinc/55/85/62/356558562.db2.gz JJPOKOXWTSUEHF-VIFPVBQESA-N 2 2 244.302 0.547 20 0 BCADLP c1nc2n(n1)[C@H](C[N@H+]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000639645587 356558568 /nfs/dbraw/zinc/55/85/68/356558568.db2.gz JJPOKOXWTSUEHF-VIFPVBQESA-N 2 2 244.302 0.547 20 0 BCADLP CNC(=O)[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639673546 356590405 /nfs/dbraw/zinc/59/04/05/356590405.db2.gz FFSIFZZYHGMIKH-SNVBAGLBSA-N 2 2 236.319 0.031 20 0 BCADLP CNC(=O)[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639673546 356590406 /nfs/dbraw/zinc/59/04/06/356590406.db2.gz FFSIFZZYHGMIKH-SNVBAGLBSA-N 2 2 236.319 0.031 20 0 BCADLP CC[N@H+](CCc1c[nH+]cn1C)[C@@H](C)CO ZINC000639657840 356574012 /nfs/dbraw/zinc/57/40/12/356574012.db2.gz SLCMEWWZWJEFTH-JTQLQIEISA-N 2 2 211.309 0.665 20 0 BCADLP CC[N@@H+](CCc1c[nH+]cn1C)[C@@H](C)CO ZINC000639657840 356574014 /nfs/dbraw/zinc/57/40/14/356574014.db2.gz SLCMEWWZWJEFTH-JTQLQIEISA-N 2 2 211.309 0.665 20 0 BCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000623300986 356575843 /nfs/dbraw/zinc/57/58/43/356575843.db2.gz BEFIHWAKCYPQSS-WDEREUQCSA-N 2 2 248.330 0.266 20 0 BCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000623300986 356575846 /nfs/dbraw/zinc/57/58/46/356575846.db2.gz BEFIHWAKCYPQSS-WDEREUQCSA-N 2 2 248.330 0.266 20 0 BCADLP CC(C)OCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423034837 192546037 /nfs/dbraw/zinc/54/60/37/192546037.db2.gz INXYKMKABLDWTK-CHWSQXEVSA-N 2 2 242.363 0.768 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423067110 192557280 /nfs/dbraw/zinc/55/72/80/192557280.db2.gz GJIOUQWIQSFBDN-WRWGMCAJSA-N 2 2 230.352 0.766 20 0 BCADLP C[NH+](C)CCC1CC[NH+](Cc2cnn[nH]2)CC1 ZINC000450285324 202118849 /nfs/dbraw/zinc/11/88/49/202118849.db2.gz LTBPGARWABQFAK-UHFFFAOYSA-N 2 2 237.351 0.968 20 0 BCADLP C[NH+](C)CCC1CC[NH+](Cc2c[nH]nn2)CC1 ZINC000450285324 202118851 /nfs/dbraw/zinc/11/88/51/202118851.db2.gz LTBPGARWABQFAK-UHFFFAOYSA-N 2 2 237.351 0.968 20 0 BCADLP C[NH+](C)CCC1CC[NH+](Cc2cn[nH]n2)CC1 ZINC000450285324 202118854 /nfs/dbraw/zinc/11/88/54/202118854.db2.gz LTBPGARWABQFAK-UHFFFAOYSA-N 2 2 237.351 0.968 20 0 BCADLP Oc1cccc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)c1 ZINC000623756838 356661370 /nfs/dbraw/zinc/66/13/70/356661370.db2.gz HHYCAMWHGVTBIV-CYBMUJFWSA-N 2 2 236.315 0.548 20 0 BCADLP Oc1cccc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000623756838 356661372 /nfs/dbraw/zinc/66/13/72/356661372.db2.gz HHYCAMWHGVTBIV-CYBMUJFWSA-N 2 2 236.315 0.548 20 0 BCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107576274 356673398 /nfs/dbraw/zinc/67/33/98/356673398.db2.gz FOJZHXUJRFCZIO-UTUOFQBUSA-N 2 2 239.363 0.298 20 0 BCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107576274 356673401 /nfs/dbraw/zinc/67/34/01/356673401.db2.gz FOJZHXUJRFCZIO-UTUOFQBUSA-N 2 2 239.363 0.298 20 0 BCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2ccccn2)C1 ZINC000639760775 356675816 /nfs/dbraw/zinc/67/58/16/356675816.db2.gz CZXICURCBQHZRW-CQSZACIVSA-N 2 2 249.358 0.970 20 0 BCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2ccccn2)C1 ZINC000639760775 356675820 /nfs/dbraw/zinc/67/58/20/356675820.db2.gz CZXICURCBQHZRW-CQSZACIVSA-N 2 2 249.358 0.970 20 0 BCADLP FC(F)(F)COCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088372929 356664693 /nfs/dbraw/zinc/66/46/93/356664693.db2.gz XVIJRQNNJIVRBR-RKDXNWHRSA-N 2 2 238.253 0.717 20 0 BCADLP CC(C)CNC(=O)[C@@H](C)[NH+]1CCC([NH3+])CC1 ZINC000026513151 356668924 /nfs/dbraw/zinc/66/89/24/356668924.db2.gz SZUVKXYYKIDLHN-SNVBAGLBSA-N 2 2 227.352 0.570 20 0 BCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2ccncc2)C1 ZINC000639763415 356689153 /nfs/dbraw/zinc/68/91/53/356689153.db2.gz ROFJGJOCKZBIQP-CQSZACIVSA-N 2 2 249.358 0.970 20 0 BCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2ccncc2)C1 ZINC000639763415 356689156 /nfs/dbraw/zinc/68/91/56/356689156.db2.gz ROFJGJOCKZBIQP-CQSZACIVSA-N 2 2 249.358 0.970 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000111695672 356698656 /nfs/dbraw/zinc/69/86/56/356698656.db2.gz UDBANDUMAFADLO-NEPJUHHUSA-N 2 2 241.379 0.818 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000111695672 356698657 /nfs/dbraw/zinc/69/86/57/356698657.db2.gz UDBANDUMAFADLO-NEPJUHHUSA-N 2 2 241.379 0.818 20 0 BCADLP CCn1c[nH+]cc1CN[C@@H](C)C[NH+](C)C ZINC000130267834 325031527 /nfs/dbraw/zinc/03/15/27/325031527.db2.gz RVZKVHUHFMVSIN-JTQLQIEISA-N 2 2 210.325 0.943 20 0 BCADLP CN(C(=O)CCn1cc[nH+]c1)C1CC([NH3+])C1 ZINC000384698706 356727433 /nfs/dbraw/zinc/72/74/33/356727433.db2.gz AAOUBVRWSPPODS-UHFFFAOYSA-N 2 2 222.292 0.221 20 0 BCADLP CC[NH+]1CCC([N@H+](C)CC(=O)N2CCC2)CC1 ZINC000354236003 356732908 /nfs/dbraw/zinc/73/29/08/356732908.db2.gz CAKISJUSMUQQML-UHFFFAOYSA-N 2 2 239.363 0.635 20 0 BCADLP CC[NH+]1CCC([N@@H+](C)CC(=O)N2CCC2)CC1 ZINC000354236003 356732909 /nfs/dbraw/zinc/73/29/09/356732909.db2.gz CAKISJUSMUQQML-UHFFFAOYSA-N 2 2 239.363 0.635 20 0 BCADLP Cc1nc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc[nH+]1 ZINC000154793772 538669965 /nfs/dbraw/zinc/66/99/65/538669965.db2.gz HGRFBHFJNJTMMQ-ONGXEEELSA-N 2 2 236.319 0.916 20 0 BCADLP Cc1nc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc[nH+]1 ZINC000154793772 538669968 /nfs/dbraw/zinc/66/99/68/538669968.db2.gz HGRFBHFJNJTMMQ-ONGXEEELSA-N 2 2 236.319 0.916 20 0 BCADLP O=C(CC[C@H]1CCC[NH2+]C1)NCc1c[nH+]c[nH]1 ZINC000088751024 356807487 /nfs/dbraw/zinc/80/74/87/356807487.db2.gz ROWNHHNNVMEROI-SNVBAGLBSA-N 2 2 236.319 0.806 20 0 BCADLP O=C(CC[C@H]1CCC[NH2+]C1)NCc1c[nH]c[nH+]1 ZINC000088751024 356807491 /nfs/dbraw/zinc/80/74/91/356807491.db2.gz ROWNHHNNVMEROI-SNVBAGLBSA-N 2 2 236.319 0.806 20 0 BCADLP CC[C@H]1C[C@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CCO1 ZINC000623759634 356877677 /nfs/dbraw/zinc/87/76/77/356877677.db2.gz UJEUSZPSEMUVSU-UPJWGTAASA-N 2 2 242.363 0.600 20 0 BCADLP CC[C@H]1C[C@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)CCO1 ZINC000623759634 356877682 /nfs/dbraw/zinc/87/76/82/356877682.db2.gz UJEUSZPSEMUVSU-UPJWGTAASA-N 2 2 242.363 0.600 20 0 BCADLP CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423184220 192614396 /nfs/dbraw/zinc/61/43/96/192614396.db2.gz NFZQNCGKVPGMTK-HBNTYKKESA-N 2 2 227.352 0.630 20 0 BCADLP Cc1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cn1 ZINC000156432248 538778988 /nfs/dbraw/zinc/77/89/88/538778988.db2.gz VNYLIZHOHSHEAZ-ZDUSSCGKSA-N 2 2 237.347 0.792 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000390419695 357092740 /nfs/dbraw/zinc/09/27/40/357092740.db2.gz JAEYPFWFROBRRP-GHMZBOCLSA-N 2 2 227.352 0.442 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000390419695 357092741 /nfs/dbraw/zinc/09/27/41/357092741.db2.gz JAEYPFWFROBRRP-GHMZBOCLSA-N 2 2 227.352 0.442 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CC(C)(C)OC ZINC000390460570 357094684 /nfs/dbraw/zinc/09/46/84/357094684.db2.gz CAOCFYBPQNUEPL-LLVKDONJSA-N 2 2 232.368 0.656 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CC(C)(C)OC ZINC000390460570 357094688 /nfs/dbraw/zinc/09/46/88/357094688.db2.gz CAOCFYBPQNUEPL-LLVKDONJSA-N 2 2 232.368 0.656 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CC(C)(C)OC ZINC000390460570 357094692 /nfs/dbraw/zinc/09/46/92/357094692.db2.gz CAOCFYBPQNUEPL-LLVKDONJSA-N 2 2 232.368 0.656 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CC(C)(C)OC ZINC000390460570 357094695 /nfs/dbraw/zinc/09/46/95/357094695.db2.gz CAOCFYBPQNUEPL-LLVKDONJSA-N 2 2 232.368 0.656 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)C2([NH+](C)C)CC2)C1 ZINC000613655826 363577370 /nfs/dbraw/zinc/57/73/70/363577370.db2.gz RBIVMRQTHNBAKD-UHFFFAOYSA-N 2 2 225.336 0.289 20 0 BCADLP CCc1nnc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[nH]1 ZINC000392482709 357153414 /nfs/dbraw/zinc/15/34/14/357153414.db2.gz ZHIOWMFGBWUZRK-RKDXNWHRSA-N 2 2 223.324 0.727 20 0 BCADLP C[C@H]1C[C@H]1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000628421810 357243415 /nfs/dbraw/zinc/24/34/15/357243415.db2.gz YHTNYWIQKPEDEQ-SRVKXCTJSA-N 2 2 239.363 0.572 20 0 BCADLP C[C@H]1C[C@H]1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000628421810 357243420 /nfs/dbraw/zinc/24/34/20/357243420.db2.gz YHTNYWIQKPEDEQ-SRVKXCTJSA-N 2 2 239.363 0.572 20 0 BCADLP CCOCC[C@H](O)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000582720996 357370928 /nfs/dbraw/zinc/37/09/28/357370928.db2.gz PZDIXEUOHPVPGZ-LBPRGKRZSA-N 2 2 241.335 0.340 20 0 BCADLP COCC1(C)C[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000582677597 357367072 /nfs/dbraw/zinc/36/70/72/357367072.db2.gz QXAWBSRQOZONCQ-GFCCVEGCSA-N 2 2 244.379 0.656 20 0 BCADLP COCC1(C)C[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000582677597 357367075 /nfs/dbraw/zinc/36/70/75/357367075.db2.gz QXAWBSRQOZONCQ-GFCCVEGCSA-N 2 2 244.379 0.656 20 0 BCADLP C[C@H]([NH3+])C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000582786961 357394415 /nfs/dbraw/zinc/39/44/15/357394415.db2.gz RDKLWANZZSFXCD-UHTWSYAYSA-N 3 2 241.379 0.552 20 0 BCADLP C[C@H](O)[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000582960834 357439289 /nfs/dbraw/zinc/43/92/89/357439289.db2.gz VULRFJHBIKWUGL-GUBZILKMSA-N 2 2 209.293 0.557 20 0 BCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000583104142 357476096 /nfs/dbraw/zinc/47/60/96/357476096.db2.gz RTZIXKIZGIDHSM-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000583104142 357476098 /nfs/dbraw/zinc/47/60/98/357476098.db2.gz RTZIXKIZGIDHSM-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000063219068 357595144 /nfs/dbraw/zinc/59/51/44/357595144.db2.gz BOOPVYKMVWACQB-KGLIPLIRSA-N 2 2 234.343 0.932 20 0 BCADLP CC(C)[NH2+]CC[NH+]1CCC(n2cncn2)CC1 ZINC000191468124 357772549 /nfs/dbraw/zinc/77/25/49/357772549.db2.gz YXYYRGLDHBZYTP-UHFFFAOYSA-N 2 2 237.351 0.913 20 0 BCADLP C[C@@H]1C[C@H](C(=O)NCCn2cc[nH+]c2)CC[NH2+]1 ZINC000235362491 357866796 /nfs/dbraw/zinc/86/67/96/357866796.db2.gz USNBFHGGSIYBFG-GHMZBOCLSA-N 2 2 236.319 0.387 20 0 BCADLP [NH3+][C@@H](C(=O)NCCc1[nH]cc[nH+]1)C1CCC1 ZINC000399042166 357894925 /nfs/dbraw/zinc/89/49/25/357894925.db2.gz QYYSIXVCXFZVPT-SNVBAGLBSA-N 2 2 222.292 0.196 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399178943 357897944 /nfs/dbraw/zinc/89/79/44/357897944.db2.gz KWJLSBGCXWXDNJ-ONGXEEELSA-N 2 2 236.319 0.515 20 0 BCADLP C[C@@H](O)CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000133700154 325310648 /nfs/dbraw/zinc/31/06/48/325310648.db2.gz ZFKFLMFPSVKJIE-MXWKQRLJSA-N 2 2 212.337 0.972 20 0 BCADLP C[C@@H](O)CC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000133700154 325310650 /nfs/dbraw/zinc/31/06/50/325310650.db2.gz ZFKFLMFPSVKJIE-MXWKQRLJSA-N 2 2 212.337 0.972 20 0 BCADLP CO[C@H]1C[N@H+](Cc2c[nH+]cn2C)[C@](C)(CO)C1 ZINC000640003393 358046385 /nfs/dbraw/zinc/04/63/85/358046385.db2.gz OCUPHRQEUMELDP-NEPJUHHUSA-N 2 2 239.319 0.392 20 0 BCADLP CO[C@H]1C[N@@H+](Cc2c[nH+]cn2C)[C@](C)(CO)C1 ZINC000640003393 358046388 /nfs/dbraw/zinc/04/63/88/358046388.db2.gz OCUPHRQEUMELDP-NEPJUHHUSA-N 2 2 239.319 0.392 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCCC(=O)OC ZINC000169277583 134249881 /nfs/dbraw/zinc/24/98/81/134249881.db2.gz AHHSECOPNLEYJM-SNVBAGLBSA-N 2 2 214.309 0.623 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1CCCC(=O)OC ZINC000169277583 134249882 /nfs/dbraw/zinc/24/98/82/134249882.db2.gz AHHSECOPNLEYJM-SNVBAGLBSA-N 2 2 214.309 0.623 20 0 BCADLP COc1ccncc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000380566155 358134702 /nfs/dbraw/zinc/13/47/02/358134702.db2.gz NKBYCVKYTTUVMA-SNVBAGLBSA-N 2 2 221.304 0.871 20 0 BCADLP COc1ccncc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000380566155 358134703 /nfs/dbraw/zinc/13/47/03/358134703.db2.gz NKBYCVKYTTUVMA-SNVBAGLBSA-N 2 2 221.304 0.871 20 0 BCADLP C[N@H+](CCCF)CC(=O)N1CC[NH+](C)CC1 ZINC000640060069 358149621 /nfs/dbraw/zinc/14/96/21/358149621.db2.gz YROXNBYWXAGXGS-UHFFFAOYSA-N 2 2 231.315 0.052 20 0 BCADLP C[N@@H+](CCCF)CC(=O)N1CC[NH+](C)CC1 ZINC000640060069 358149624 /nfs/dbraw/zinc/14/96/24/358149624.db2.gz YROXNBYWXAGXGS-UHFFFAOYSA-N 2 2 231.315 0.052 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+]C2CC3(CCC3)C2)C1 ZINC000628464632 358184841 /nfs/dbraw/zinc/18/48/41/358184841.db2.gz CXEQUDOXLFBURU-GFCCVEGCSA-N 2 2 224.348 0.975 20 0 BCADLP O[C@@H]1CC[N@@H+](CC[NH2+]C2CC3(CCC3)C2)C1 ZINC000628464632 358184846 /nfs/dbraw/zinc/18/48/46/358184846.db2.gz CXEQUDOXLFBURU-GFCCVEGCSA-N 2 2 224.348 0.975 20 0 BCADLP CC(C)COC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000226061735 358333272 /nfs/dbraw/zinc/33/32/72/358333272.db2.gz WDCHLANNPQTUPZ-CHWSQXEVSA-N 2 2 244.379 0.704 20 0 BCADLP CC(C)COC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000226061735 358333274 /nfs/dbraw/zinc/33/32/74/358333274.db2.gz WDCHLANNPQTUPZ-CHWSQXEVSA-N 2 2 244.379 0.704 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]CC1(O)CCCC1 ZINC000226056077 358332712 /nfs/dbraw/zinc/33/27/12/358332712.db2.gz RYPYKVJRYBNVLN-LLVKDONJSA-N 2 2 212.337 0.975 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+]CC1(O)CCCC1 ZINC000226056077 358332716 /nfs/dbraw/zinc/33/27/16/358332716.db2.gz RYPYKVJRYBNVLN-LLVKDONJSA-N 2 2 212.337 0.975 20 0 BCADLP CC(C)OC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000226043514 358332882 /nfs/dbraw/zinc/33/28/82/358332882.db2.gz DJCCPKVNGUOMML-RYUDHWBXSA-N 2 2 230.352 0.456 20 0 BCADLP CC(C)OC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000226043514 358332886 /nfs/dbraw/zinc/33/28/86/358332886.db2.gz DJCCPKVNGUOMML-RYUDHWBXSA-N 2 2 230.352 0.456 20 0 BCADLP CO[C@H]1CC[N@H+](CCCF)[C@@H](C[NH3+])C1 ZINC000226421131 358338969 /nfs/dbraw/zinc/33/89/69/358338969.db2.gz QOZAQORMZCDYCW-ZJUUUORDSA-N 2 2 204.289 0.784 20 0 BCADLP CO[C@H]1CC[N@@H+](CCCF)[C@@H](C[NH3+])C1 ZINC000226421131 358338971 /nfs/dbraw/zinc/33/89/71/358338971.db2.gz QOZAQORMZCDYCW-ZJUUUORDSA-N 2 2 204.289 0.784 20 0 BCADLP C[N@@H+]1CCN(Cc2ccsc2)[C@@H](C[NH3+])C1 ZINC000226617580 358341438 /nfs/dbraw/zinc/34/14/38/358341438.db2.gz ZNMMDTFAKSRUIL-NSHDSACASA-N 2 2 225.361 0.823 20 0 BCADLP C[N@H+]1CCN(Cc2ccsc2)[C@@H](C[NH3+])C1 ZINC000226617580 358341443 /nfs/dbraw/zinc/34/14/43/358341443.db2.gz ZNMMDTFAKSRUIL-NSHDSACASA-N 2 2 225.361 0.823 20 0 BCADLP C([NH2+]C(C1CC1)C1CC1)[C@H]1C[NH2+]CCO1 ZINC000043802823 358387163 /nfs/dbraw/zinc/38/71/63/358387163.db2.gz SOWILBRUEPTHFG-LLVKDONJSA-N 2 2 210.321 0.753 20 0 BCADLP Cn1cc[nH+]c1CN1CC[NH+](CCCF)CC1 ZINC000130392113 358622263 /nfs/dbraw/zinc/62/22/63/358622263.db2.gz KJMSWFVDLPVOEQ-UHFFFAOYSA-N 2 2 240.326 0.897 20 0 BCADLP C[C@H](C[S@](C)=O)[N@H+](C)C1CC[NH+](C)CC1 ZINC000131000482 358657087 /nfs/dbraw/zinc/65/70/87/358657087.db2.gz VYSXLUYOSYKENK-MEBBXXQBSA-N 2 2 232.393 0.779 20 0 BCADLP C[C@H](C[S@](C)=O)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000131000482 358657090 /nfs/dbraw/zinc/65/70/90/358657090.db2.gz VYSXLUYOSYKENK-MEBBXXQBSA-N 2 2 232.393 0.779 20 0 BCADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000049068338 358668790 /nfs/dbraw/zinc/66/87/90/358668790.db2.gz CAGRGXCLXSKELT-ZDUSSCGKSA-N 2 2 247.342 0.969 20 0 BCADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000049068338 358668795 /nfs/dbraw/zinc/66/87/95/358668795.db2.gz CAGRGXCLXSKELT-ZDUSSCGKSA-N 2 2 247.342 0.969 20 0 BCADLP CC(C)CCOCC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000049265284 358678483 /nfs/dbraw/zinc/67/84/83/358678483.db2.gz LDSLRUKHIFMVQD-LBPRGKRZSA-N 2 2 230.352 0.709 20 0 BCADLP CC(C)CCOCC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000049265284 358678484 /nfs/dbraw/zinc/67/84/84/358678484.db2.gz LDSLRUKHIFMVQD-LBPRGKRZSA-N 2 2 230.352 0.709 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131870115 358698687 /nfs/dbraw/zinc/69/86/87/358698687.db2.gz CVVUBAHJZWBJBR-GFCCVEGCSA-N 2 2 249.314 0.623 20 0 BCADLP CN(C)C(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131870115 358698691 /nfs/dbraw/zinc/69/86/91/358698691.db2.gz CVVUBAHJZWBJBR-GFCCVEGCSA-N 2 2 249.314 0.623 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261557148 535435051 /nfs/dbraw/zinc/43/50/51/535435051.db2.gz RIBPVMYAXAUXIV-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261557148 535435057 /nfs/dbraw/zinc/43/50/57/535435057.db2.gz RIBPVMYAXAUXIV-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP CC[NH+]1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000050393975 358726771 /nfs/dbraw/zinc/72/67/71/358726771.db2.gz LXLRDJYFQJUNBB-LLVKDONJSA-N 2 2 225.336 0.339 20 0 BCADLP Nc1cc(N)[nH+]c(SCc2cc[nH+]c(N)c2)n1 ZINC000052756571 358791317 /nfs/dbraw/zinc/79/13/17/358791317.db2.gz QYQKLDZJEYSRRY-UHFFFAOYSA-N 2 2 248.315 0.911 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000086403538 358967742 /nfs/dbraw/zinc/96/77/42/358967742.db2.gz KNBMMQXWCDCQTK-GHMZBOCLSA-N 3 2 208.309 0.743 20 0 BCADLP C[C@H](F)CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000578336124 366526293 /nfs/dbraw/zinc/52/62/93/366526293.db2.gz JPLOROSYQRYQEX-VHSXEESVSA-N 2 2 246.330 0.019 20 0 BCADLP C[C@H](F)CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000578336124 366526295 /nfs/dbraw/zinc/52/62/95/366526295.db2.gz JPLOROSYQRYQEX-VHSXEESVSA-N 2 2 246.330 0.019 20 0 BCADLP COCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069857489 359034692 /nfs/dbraw/zinc/03/46/92/359034692.db2.gz GZRFLPUXOCHFTQ-ZDUSSCGKSA-N 2 2 242.363 0.677 20 0 BCADLP COCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069857489 359034697 /nfs/dbraw/zinc/03/46/97/359034697.db2.gz GZRFLPUXOCHFTQ-ZDUSSCGKSA-N 2 2 242.363 0.677 20 0 BCADLP COCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069857490 359034886 /nfs/dbraw/zinc/03/48/86/359034886.db2.gz GZRFLPUXOCHFTQ-CYBMUJFWSA-N 2 2 242.363 0.677 20 0 BCADLP COCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069857490 359034888 /nfs/dbraw/zinc/03/48/88/359034888.db2.gz GZRFLPUXOCHFTQ-CYBMUJFWSA-N 2 2 242.363 0.677 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2CCOC2)n1C ZINC000070143612 359042778 /nfs/dbraw/zinc/04/27/78/359042778.db2.gz QKFUFNQVETWSFM-JTQLQIEISA-N 2 2 238.335 0.612 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1C(N)=O ZINC000246674793 359156040 /nfs/dbraw/zinc/15/60/40/359156040.db2.gz FTMSRZDDNBGMPE-MNOVXSKESA-N 2 2 225.336 0.420 20 0 BCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1C(N)=O ZINC000246674793 359156045 /nfs/dbraw/zinc/15/60/45/359156045.db2.gz FTMSRZDDNBGMPE-MNOVXSKESA-N 2 2 225.336 0.420 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1C(N)=O ZINC000246674793 359156047 /nfs/dbraw/zinc/15/60/47/359156047.db2.gz FTMSRZDDNBGMPE-MNOVXSKESA-N 2 2 225.336 0.420 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1C(N)=O ZINC000246674793 359156052 /nfs/dbraw/zinc/15/60/52/359156052.db2.gz FTMSRZDDNBGMPE-MNOVXSKESA-N 2 2 225.336 0.420 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)CCSC ZINC000379607325 359565794 /nfs/dbraw/zinc/56/57/94/359565794.db2.gz RCQGPDXVGPJGLR-JTQLQIEISA-N 2 2 220.382 0.594 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCSC ZINC000379607325 359565797 /nfs/dbraw/zinc/56/57/97/359565797.db2.gz RCQGPDXVGPJGLR-JTQLQIEISA-N 2 2 220.382 0.594 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CCSC ZINC000379607325 359565800 /nfs/dbraw/zinc/56/58/00/359565800.db2.gz RCQGPDXVGPJGLR-JTQLQIEISA-N 2 2 220.382 0.594 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCSC ZINC000379607325 359565802 /nfs/dbraw/zinc/56/58/02/359565802.db2.gz RCQGPDXVGPJGLR-JTQLQIEISA-N 2 2 220.382 0.594 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000379592894 359557386 /nfs/dbraw/zinc/55/73/86/359557386.db2.gz ZRXJNVNRCQVMJG-DBIOUOCHSA-N 2 2 200.326 0.950 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000379592894 359557388 /nfs/dbraw/zinc/55/73/88/359557388.db2.gz ZRXJNVNRCQVMJG-DBIOUOCHSA-N 2 2 200.326 0.950 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423572705 192814310 /nfs/dbraw/zinc/81/43/10/192814310.db2.gz YOTFTBCJPDEFES-ZYHUDNBSSA-N 3 2 211.353 0.716 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCSC ZINC000379607327 359565605 /nfs/dbraw/zinc/56/56/05/359565605.db2.gz RCQGPDXVGPJGLR-SNVBAGLBSA-N 2 2 220.382 0.594 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCSC ZINC000379607327 359565609 /nfs/dbraw/zinc/56/56/09/359565609.db2.gz RCQGPDXVGPJGLR-SNVBAGLBSA-N 2 2 220.382 0.594 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCSC ZINC000379607327 359565614 /nfs/dbraw/zinc/56/56/14/359565614.db2.gz RCQGPDXVGPJGLR-SNVBAGLBSA-N 2 2 220.382 0.594 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCSC ZINC000379607327 359565617 /nfs/dbraw/zinc/56/56/17/359565617.db2.gz RCQGPDXVGPJGLR-SNVBAGLBSA-N 2 2 220.382 0.594 20 0 BCADLP Cc1ncc(C[N@H+](C)C[C@@H](O)C[NH3+])s1 ZINC000379627064 359571187 /nfs/dbraw/zinc/57/11/87/359571187.db2.gz KVOQEQURYQLTAA-QMMMGPOBSA-N 2 2 215.322 0.203 20 0 BCADLP Cc1ncc(C[N@@H+](C)C[C@@H](O)C[NH3+])s1 ZINC000379627064 359571193 /nfs/dbraw/zinc/57/11/93/359571193.db2.gz KVOQEQURYQLTAA-QMMMGPOBSA-N 2 2 215.322 0.203 20 0 BCADLP Cc1ncc(C[N@H+](C)C[C@H](O)C[NH3+])s1 ZINC000379627051 359571396 /nfs/dbraw/zinc/57/13/96/359571396.db2.gz KVOQEQURYQLTAA-MRVPVSSYSA-N 2 2 215.322 0.203 20 0 BCADLP Cc1ncc(C[N@@H+](C)C[C@H](O)C[NH3+])s1 ZINC000379627051 359571402 /nfs/dbraw/zinc/57/14/02/359571402.db2.gz KVOQEQURYQLTAA-MRVPVSSYSA-N 2 2 215.322 0.203 20 0 BCADLP O=C(C[C@H]1CCC[NH2+]1)NCCNc1cccc[nH+]1 ZINC000578353561 366534970 /nfs/dbraw/zinc/53/49/70/366534970.db2.gz LDVAJOIRRJUGKU-LLVKDONJSA-N 2 2 248.330 0.752 20 0 BCADLP Cn1cc(C[NH2+][C@@](C)(C[NH3+])C2CC2)cn1 ZINC000430573933 192877489 /nfs/dbraw/zinc/87/74/89/192877489.db2.gz NFHYGZJIODQGJC-NSHDSACASA-N 2 2 208.309 0.637 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+]C2CC3(CCC3)C2)C1 ZINC000628498025 359705406 /nfs/dbraw/zinc/70/54/06/359705406.db2.gz CXEQUDOXLFBURU-LBPRGKRZSA-N 2 2 224.348 0.975 20 0 BCADLP O[C@H]1CC[N@@H+](CC[NH2+]C2CC3(CCC3)C2)C1 ZINC000628498025 359705410 /nfs/dbraw/zinc/70/54/10/359705410.db2.gz CXEQUDOXLFBURU-LBPRGKRZSA-N 2 2 224.348 0.975 20 0 BCADLP Oc1ccc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1 ZINC000628498582 359708079 /nfs/dbraw/zinc/70/80/79/359708079.db2.gz RMQAHEHRZKZMML-ZDUSSCGKSA-N 2 2 236.315 0.548 20 0 BCADLP Oc1ccc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000628498582 359708081 /nfs/dbraw/zinc/70/80/81/359708081.db2.gz RMQAHEHRZKZMML-ZDUSSCGKSA-N 2 2 236.315 0.548 20 0 BCADLP CCn1cc[nH+]c1CNc1cc[nH+]cc1C(N)=O ZINC000578594403 366602984 /nfs/dbraw/zinc/60/29/84/366602984.db2.gz OLQGSXHDZXRKEE-UHFFFAOYSA-N 2 2 245.286 0.431 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000578617012 366609062 /nfs/dbraw/zinc/60/90/62/366609062.db2.gz HYOOUIUCQDUYOS-UPJWGTAASA-N 3 2 225.380 0.916 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000578617012 366609066 /nfs/dbraw/zinc/60/90/66/366609066.db2.gz HYOOUIUCQDUYOS-UPJWGTAASA-N 3 2 225.380 0.916 20 0 BCADLP [NH3+][C@@H](C(=O)NCCNc1cccc[nH+]1)C1CCC1 ZINC000578622976 366610681 /nfs/dbraw/zinc/61/06/81/366610681.db2.gz GVTVDUKABBDUNY-GFCCVEGCSA-N 2 2 248.330 0.737 20 0 BCADLP CCNC(=O)C[N@H+](CC)CC[C@H]1CCC[NH+]1C ZINC000089424507 360019936 /nfs/dbraw/zinc/01/99/36/360019936.db2.gz GAFYFYJSNCJDBK-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP CCNC(=O)C[N@@H+](CC)CC[C@H]1CCC[NH+]1C ZINC000089424507 360019942 /nfs/dbraw/zinc/01/99/42/360019942.db2.gz GAFYFYJSNCJDBK-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP CCNC(=O)C[NH+](CC)CC[C@H]1CCC[N@@H+]1C ZINC000089424507 360019945 /nfs/dbraw/zinc/01/99/45/360019945.db2.gz GAFYFYJSNCJDBK-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP CCNC(=O)C[NH+](CC)CC[C@H]1CCC[N@H+]1C ZINC000089424507 360019949 /nfs/dbraw/zinc/01/99/49/360019949.db2.gz GAFYFYJSNCJDBK-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)nn1 ZINC000090714566 360085488 /nfs/dbraw/zinc/08/54/88/360085488.db2.gz GBGVPSYYVXXTGF-CMPLNLGQSA-N 2 2 235.335 0.532 20 0 BCADLP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)nn1 ZINC000090714566 360085489 /nfs/dbraw/zinc/08/54/89/360085489.db2.gz GBGVPSYYVXXTGF-CMPLNLGQSA-N 2 2 235.335 0.532 20 0 BCADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)CC(N)=O ZINC000090847209 360089862 /nfs/dbraw/zinc/08/98/62/360089862.db2.gz ZNPZSICXABYJSB-SNVBAGLBSA-N 2 2 221.304 0.786 20 0 BCADLP CC[NH+]1CCN([C@H](C)C[NH+]2CCOCC2)CC1 ZINC000091507517 360118213 /nfs/dbraw/zinc/11/82/13/360118213.db2.gz NGEZLULACSOOTR-CYBMUJFWSA-N 2 2 241.379 0.345 20 0 BCADLP CCC[C@H](C(=O)OCC)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000096593481 360350076 /nfs/dbraw/zinc/35/00/76/360350076.db2.gz HNUSUMIGNKVGOA-IJLUTSLNSA-N 2 2 240.347 0.869 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000094648312 360314143 /nfs/dbraw/zinc/31/41/43/360314143.db2.gz FHSCLDTVUAVWLE-GHMZBOCLSA-N 2 2 248.330 0.613 20 0 BCADLP C[C@@H](CCCO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000094942442 360327744 /nfs/dbraw/zinc/32/77/44/360327744.db2.gz ZMIHUDRBKZLPBB-JTQLQIEISA-N 2 2 240.351 0.737 20 0 BCADLP C[NH+](C)C1CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000613118414 360374575 /nfs/dbraw/zinc/37/45/75/360374575.db2.gz RTLTXZVTFJXAJE-SECBINFHSA-N 2 2 248.330 0.287 20 0 BCADLP C[NH+](C)C1CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000613118414 360374577 /nfs/dbraw/zinc/37/45/77/360374577.db2.gz RTLTXZVTFJXAJE-SECBINFHSA-N 2 2 248.330 0.287 20 0 BCADLP COCC[NH2+]CC[NH2+]C[C@H](C)COC ZINC000578976555 366682654 /nfs/dbraw/zinc/68/26/54/366682654.db2.gz UCQMTAJHMBHJGU-JTQLQIEISA-N 2 2 204.314 0.095 20 0 BCADLP Cc1ccc(CCC[NH2+][C@H](C)C(N)=O)c[nH+]1 ZINC000309516499 491149832 /nfs/dbraw/zinc/14/98/32/491149832.db2.gz YVNCDGJTWKYPKL-SNVBAGLBSA-N 2 2 221.304 0.786 20 0 BCADLP COC(=O)CCCC[N@@H+]1CC[C@H]([NH3+])C1 ZINC000238327151 360875478 /nfs/dbraw/zinc/87/54/78/360875478.db2.gz LNYHGWCXVVICCV-VIFPVBQESA-N 2 2 200.282 0.363 20 0 BCADLP COC(=O)CCCC[N@H+]1CC[C@H]([NH3+])C1 ZINC000238327151 360875483 /nfs/dbraw/zinc/87/54/83/360875483.db2.gz LNYHGWCXVVICCV-VIFPVBQESA-N 2 2 200.282 0.363 20 0 BCADLP Cc1[nH]ncc1C[NH2+]CCOCCC[NH3+] ZINC000629398304 361048772 /nfs/dbraw/zinc/04/87/72/361048772.db2.gz AAUQJCFKDHSPJO-UHFFFAOYSA-N 2 2 212.297 0.173 20 0 BCADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629519042 361119123 /nfs/dbraw/zinc/11/91/23/361119123.db2.gz DTWDBJXQEAXOHI-NEPJUHHUSA-N 3 2 241.379 0.744 20 0 BCADLP COc1cncc(C[NH2+][C@@](C)(C[NH3+])C(C)C)n1 ZINC000629514033 361111045 /nfs/dbraw/zinc/11/10/45/361111045.db2.gz JSUXPTDFFUJROI-LBPRGKRZSA-N 2 2 238.335 0.948 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000629527603 361133770 /nfs/dbraw/zinc/13/37/70/361133770.db2.gz AAVWYDRVKKAFAY-WISYIIOYSA-N 3 2 211.353 0.986 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCc2ncccc21 ZINC000631579868 361154131 /nfs/dbraw/zinc/15/41/31/361154131.db2.gz KEBCEMVKXZOLLG-RISCZKNCSA-N 2 2 249.358 0.971 20 0 BCADLP CCn1nnc(C)c1C[N@H+](C)C1CC([NH3+])C1 ZINC000629532753 361154311 /nfs/dbraw/zinc/15/43/11/361154311.db2.gz PWLBXYKWAQQUIA-UHFFFAOYSA-N 2 2 223.324 0.528 20 0 BCADLP CCn1nnc(C)c1C[N@@H+](C)C1CC([NH3+])C1 ZINC000629532753 361154318 /nfs/dbraw/zinc/15/43/18/361154318.db2.gz PWLBXYKWAQQUIA-UHFFFAOYSA-N 2 2 223.324 0.528 20 0 BCADLP C[N@H+](CCOC1CCOCC1)C1(C[NH3+])CCC1 ZINC000629533076 361160412 /nfs/dbraw/zinc/16/04/12/361160412.db2.gz GNRFLBAMWMRJJA-UHFFFAOYSA-N 2 2 242.363 0.995 20 0 BCADLP C[N@@H+](CCOC1CCOCC1)C1(C[NH3+])CCC1 ZINC000629533076 361160416 /nfs/dbraw/zinc/16/04/16/361160416.db2.gz GNRFLBAMWMRJJA-UHFFFAOYSA-N 2 2 242.363 0.995 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCC(N)=O)C[N@@H+]1C1CC1 ZINC000162911291 361186277 /nfs/dbraw/zinc/18/62/77/361186277.db2.gz MJORYOZWGZQBKL-IUCAKERBSA-N 2 2 211.309 0.077 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCC(N)=O)C[N@H+]1C1CC1 ZINC000162911291 361186281 /nfs/dbraw/zinc/18/62/81/361186281.db2.gz MJORYOZWGZQBKL-IUCAKERBSA-N 2 2 211.309 0.077 20 0 BCADLP C[C@H](CC(=O)NC(C)(C)C[NH3+])n1cc[nH+]c1 ZINC000578997414 366689261 /nfs/dbraw/zinc/68/92/61/366689261.db2.gz NIAMSLZVEBNSFM-SECBINFHSA-N 2 2 224.308 0.688 20 0 BCADLP O[C@]12C[C@H]1C[N@H+](CCCn1cc[nH+]c1)C2 ZINC000640483287 361258807 /nfs/dbraw/zinc/25/88/07/361258807.db2.gz VPWCXOPZILMTPX-QWRGUYRKSA-N 2 2 207.277 0.340 20 0 BCADLP O[C@]12C[C@H]1C[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000640483287 361258812 /nfs/dbraw/zinc/25/88/12/361258812.db2.gz VPWCXOPZILMTPX-QWRGUYRKSA-N 2 2 207.277 0.340 20 0 BCADLP [NH3+]C1(C(=O)NCc2[nH]cc[nH+]2)CCCC1 ZINC000070646677 181328019 /nfs/dbraw/zinc/32/80/19/181328019.db2.gz DAUOKIVCCRHDKN-UHFFFAOYSA-N 2 2 208.265 0.297 20 0 BCADLP COC[C@H](C)C[N@@H+]1CC[NH2+]C[C@](C)(F)C1 ZINC000579238781 366741734 /nfs/dbraw/zinc/74/17/34/366741734.db2.gz WWVDPJYENQNJQE-MNOVXSKESA-N 2 2 218.316 0.902 20 0 BCADLP COC[C@H](C)C[N@H+]1CC[NH2+]C[C@](C)(F)C1 ZINC000579238781 366741738 /nfs/dbraw/zinc/74/17/38/366741738.db2.gz WWVDPJYENQNJQE-MNOVXSKESA-N 2 2 218.316 0.902 20 0 BCADLP COC1(C[NH2+]C[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC000428847220 201045083 /nfs/dbraw/zinc/04/50/83/201045083.db2.gz AHFKCPXYHRRVEG-GFCCVEGCSA-N 2 2 242.363 0.866 20 0 BCADLP COC1(C[NH2+]C[C@H]2CCC[N@H+]2C)CCOCC1 ZINC000428847220 201045086 /nfs/dbraw/zinc/04/50/86/201045086.db2.gz AHFKCPXYHRRVEG-GFCCVEGCSA-N 2 2 242.363 0.866 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@](C)(O)C[NH2+]C)C[C@H](C)O1 ZINC000579250712 366746122 /nfs/dbraw/zinc/74/61/22/366746122.db2.gz PTMKSKNCNIJBPG-QJPTWQEYSA-N 2 2 230.352 0.456 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@](C)(O)C[NH2+]C)C[C@H](C)O1 ZINC000579250712 366746130 /nfs/dbraw/zinc/74/61/30/366746130.db2.gz PTMKSKNCNIJBPG-QJPTWQEYSA-N 2 2 230.352 0.456 20 0 BCADLP COc1cncc(C[NH2+][C@H](C[NH3+])C(C)(C)C)n1 ZINC000629539304 361404611 /nfs/dbraw/zinc/40/46/11/361404611.db2.gz ZWTLDVWZSYKZGA-SNVBAGLBSA-N 2 2 238.335 0.948 20 0 BCADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C[NH2+]1 ZINC000629535660 361410287 /nfs/dbraw/zinc/41/02/87/361410287.db2.gz CSIMLFJHGOOOIN-RHYQMDGZSA-N 3 2 211.353 0.844 20 0 BCADLP Cc1ccncc1C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000629543433 361411603 /nfs/dbraw/zinc/41/16/03/361411603.db2.gz BJVHWEAALSFONQ-UHFFFAOYSA-N 2 2 235.331 0.594 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000629543726 361412963 /nfs/dbraw/zinc/41/29/63/361412963.db2.gz ALXBUPFKWQZPSW-NNYUYHANSA-N 3 2 211.353 0.844 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000629544087 361422087 /nfs/dbraw/zinc/42/20/87/361422087.db2.gz GMWRZGBMDFXIEH-ONGXEEELSA-N 2 2 221.304 0.875 20 0 BCADLP C[C@@H]([NH2+]CCN(C)CC(F)F)[C@H]1CCC[NH2+]1 ZINC000629555004 361437339 /nfs/dbraw/zinc/43/73/39/361437339.db2.gz PWOLMXUCEUFFAQ-NXEZZACHSA-N 2 2 235.322 0.913 20 0 BCADLP C[C@H]([NH2+]CCN(C)CC(F)F)[C@@H]1CCC[NH2+]1 ZINC000629555005 361438100 /nfs/dbraw/zinc/43/81/00/361438100.db2.gz PWOLMXUCEUFFAQ-UWVGGRQHSA-N 2 2 235.322 0.913 20 0 BCADLP CC[C@@H](N[C@@H]1CC[NH2+]C1)c1[nH+]ccn1C ZINC000629553522 361438612 /nfs/dbraw/zinc/43/86/12/361438612.db2.gz VGHCCSLPAOBHBL-NXEZZACHSA-N 2 2 208.309 0.823 20 0 BCADLP CCc1noc([C@H](C)[N@H+](C)CCOCC[NH3+])n1 ZINC000629579069 361465009 /nfs/dbraw/zinc/46/50/09/361465009.db2.gz IJSDYFUBMJFUTP-VIFPVBQESA-N 2 2 242.323 0.600 20 0 BCADLP CCc1noc([C@H](C)[N@@H+](C)CCOCC[NH3+])n1 ZINC000629579069 361465015 /nfs/dbraw/zinc/46/50/15/361465015.db2.gz IJSDYFUBMJFUTP-VIFPVBQESA-N 2 2 242.323 0.600 20 0 BCADLP FCC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000629580750 361468733 /nfs/dbraw/zinc/46/87/33/361468733.db2.gz GNTFPRPWQIXEIR-GHMZBOCLSA-N 2 2 216.300 0.656 20 0 BCADLP FCC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000629580750 361468735 /nfs/dbraw/zinc/46/87/35/361468735.db2.gz GNTFPRPWQIXEIR-GHMZBOCLSA-N 2 2 216.300 0.656 20 0 BCADLP CCCNC(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584264 361469459 /nfs/dbraw/zinc/46/94/59/361469459.db2.gz NNLJXDHWWCWULK-BETUJISGSA-N 2 2 239.363 0.444 20 0 BCADLP CCCNC(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584264 361469465 /nfs/dbraw/zinc/46/94/65/361469465.db2.gz NNLJXDHWWCWULK-BETUJISGSA-N 2 2 239.363 0.444 20 0 BCADLP CC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H](C)[NH3+] ZINC000629595145 361482344 /nfs/dbraw/zinc/48/23/44/361482344.db2.gz JZQZZIYXNGUITM-MWLCHTKSSA-N 2 2 213.325 0.324 20 0 BCADLP CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](C)[NH3+] ZINC000629595145 361482349 /nfs/dbraw/zinc/48/23/49/361482349.db2.gz JZQZZIYXNGUITM-MWLCHTKSSA-N 2 2 213.325 0.324 20 0 BCADLP COC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000629601827 361492322 /nfs/dbraw/zinc/49/23/22/361492322.db2.gz MOOWSXAWMXFPCV-CHWSQXEVSA-N 2 2 242.363 0.600 20 0 BCADLP COC[C@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000629601827 361492327 /nfs/dbraw/zinc/49/23/27/361492327.db2.gz MOOWSXAWMXFPCV-CHWSQXEVSA-N 2 2 242.363 0.600 20 0 BCADLP COC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000629601830 361492759 /nfs/dbraw/zinc/49/27/59/361492759.db2.gz MOOWSXAWMXFPCV-STQMWFEESA-N 2 2 242.363 0.600 20 0 BCADLP COC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000629601830 361492761 /nfs/dbraw/zinc/49/27/61/361492761.db2.gz MOOWSXAWMXFPCV-STQMWFEESA-N 2 2 242.363 0.600 20 0 BCADLP C[NH2+]CCOCC[N@H+](C)Cc1nc(C)no1 ZINC000629566841 361457872 /nfs/dbraw/zinc/45/78/72/361457872.db2.gz ADNDBEUAPPNRGS-UHFFFAOYSA-N 2 2 228.296 0.046 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)Cc1nc(C)no1 ZINC000629566841 361457877 /nfs/dbraw/zinc/45/78/77/361457877.db2.gz ADNDBEUAPPNRGS-UHFFFAOYSA-N 2 2 228.296 0.046 20 0 BCADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)CC[S@](=O)C1 ZINC000433272552 201174522 /nfs/dbraw/zinc/17/45/22/201174522.db2.gz PPNVMDXXLABCOV-BZNIZROVSA-N 2 2 241.360 0.584 20 0 BCADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CC[S@](=O)C1 ZINC000433272552 201174525 /nfs/dbraw/zinc/17/45/25/201174525.db2.gz PPNVMDXXLABCOV-BZNIZROVSA-N 2 2 241.360 0.584 20 0 BCADLP COCC[NH2+]CC[NH2+]Cc1ccn(C)c1 ZINC000629647706 361537466 /nfs/dbraw/zinc/53/74/66/361537466.db2.gz GAHSFSSWZYMJBZ-UHFFFAOYSA-N 2 2 211.309 0.351 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1=CCCOC1 ZINC000629649011 361543348 /nfs/dbraw/zinc/54/33/48/361543348.db2.gz DSFVDLXUCDVEAD-CMPLNLGQSA-N 2 2 210.321 0.921 20 0 BCADLP Cn1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000629650354 361547481 /nfs/dbraw/zinc/54/74/81/361547481.db2.gz SDTAGLIAEMNMMU-UHFFFAOYSA-N 2 2 205.305 0.867 20 0 BCADLP C[NH2+]CCOCC[N@H+](C)Cc1ccn(C)n1 ZINC000629652129 361549604 /nfs/dbraw/zinc/54/96/04/361549604.db2.gz AWPAOFAQFNYQHC-UHFFFAOYSA-N 2 2 226.324 0.088 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)Cc1ccn(C)n1 ZINC000629652129 361549607 /nfs/dbraw/zinc/54/96/07/361549607.db2.gz AWPAOFAQFNYQHC-UHFFFAOYSA-N 2 2 226.324 0.088 20 0 BCADLP CC[N@H+](CC[NH3+])Cc1ccc2c(c1)nnn2C ZINC000629651666 361556952 /nfs/dbraw/zinc/55/69/52/361556952.db2.gz WGSKVDHXJNLYMU-UHFFFAOYSA-N 2 2 233.319 0.749 20 0 BCADLP CC[N@@H+](CC[NH3+])Cc1ccc2c(c1)nnn2C ZINC000629651666 361556957 /nfs/dbraw/zinc/55/69/57/361556957.db2.gz WGSKVDHXJNLYMU-UHFFFAOYSA-N 2 2 233.319 0.749 20 0 BCADLP O=C1C[C@@]2(CC[N@H+](CCCn3cc[nH+]c3)C2)CN1 ZINC000434756220 201238867 /nfs/dbraw/zinc/23/88/67/201238867.db2.gz YNRCSBYNQPEIRT-ZDUSSCGKSA-N 2 2 248.330 0.485 20 0 BCADLP O=C1C[C@@]2(CC[N@@H+](CCCn3cc[nH+]c3)C2)CN1 ZINC000434756220 201238870 /nfs/dbraw/zinc/23/88/70/201238870.db2.gz YNRCSBYNQPEIRT-ZDUSSCGKSA-N 2 2 248.330 0.485 20 0 BCADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000155685062 201346474 /nfs/dbraw/zinc/34/64/74/201346474.db2.gz RAIPGGPAACBXRA-RYUDHWBXSA-N 3 2 222.336 0.813 20 0 BCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000155685062 201346477 /nfs/dbraw/zinc/34/64/77/201346477.db2.gz RAIPGGPAACBXRA-RYUDHWBXSA-N 3 2 222.336 0.813 20 0 BCADLP C[NH+](C)C1(C(=O)N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000614410179 363806243 /nfs/dbraw/zinc/80/62/43/363806243.db2.gz POGGYWCLCBSNPQ-UHFFFAOYSA-N 2 2 239.363 0.633 20 0 BCADLP C[NH+](C)C1(C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000614410179 363806250 /nfs/dbraw/zinc/80/62/50/363806250.db2.gz POGGYWCLCBSNPQ-UHFFFAOYSA-N 2 2 239.363 0.633 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@H]1CC[C@H]([NH3+])CC1 ZINC000630385990 364100189 /nfs/dbraw/zinc/10/01/89/364100189.db2.gz SQEATQMQEQXDTE-ZKCHVHJHSA-N 2 2 237.307 0.749 20 0 BCADLP COc1c(N)nc[nH+]c1N[C@H]1CC[C@H]([NH3+])CC1 ZINC000630385990 364100191 /nfs/dbraw/zinc/10/01/91/364100191.db2.gz SQEATQMQEQXDTE-ZKCHVHJHSA-N 2 2 237.307 0.749 20 0 BCADLP Nc1[nH+]cnc(N2C[C@@H]3C[C@H]2C[NH2+]3)c1Cl ZINC000630553518 364248252 /nfs/dbraw/zinc/24/82/52/364248252.db2.gz JIGYUDPZNCCRKQ-WDSKDSINSA-N 2 2 225.683 0.263 20 0 BCADLP Nc1[nH+]cnc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1Cl ZINC000630557564 364256114 /nfs/dbraw/zinc/25/61/14/364256114.db2.gz LTLHKUGEVYLKFN-KNVOCYPGSA-N 2 2 239.710 0.653 20 0 BCADLP c1cn(Cc2cn(C[C@@H]3CCC[NH2+]3)nn2)c[nH+]1 ZINC000630604656 364328780 /nfs/dbraw/zinc/32/87/80/364328780.db2.gz CSKIRSAQSOLKPD-JTQLQIEISA-N 2 2 232.291 0.275 20 0 BCADLP C[NH+](C)C1(C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000615039511 364403698 /nfs/dbraw/zinc/40/36/98/364403698.db2.gz MKSIACUSODCTHV-UHFFFAOYSA-N 2 2 234.303 0.320 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C(C)(C)CCO)n1C ZINC000579496256 366834796 /nfs/dbraw/zinc/83/47/96/366834796.db2.gz BEBSSLFQZWEUFZ-UHFFFAOYSA-N 2 2 211.309 0.979 20 0 BCADLP CC[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093188853 364691102 /nfs/dbraw/zinc/69/11/02/364691102.db2.gz MPQGNWCMTWCCPA-LBPRGKRZSA-N 2 2 239.363 0.492 20 0 BCADLP CC[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093188853 364691107 /nfs/dbraw/zinc/69/11/07/364691107.db2.gz MPQGNWCMTWCCPA-LBPRGKRZSA-N 2 2 239.363 0.492 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]([NH3+])C1CCC1 ZINC000399050295 364747994 /nfs/dbraw/zinc/74/79/94/364747994.db2.gz VAWSJFHMIGZIKN-SNVBAGLBSA-N 2 2 222.292 0.496 20 0 BCADLP C[C@H]1CC[C@H](NCc2c[nH+]cn2C)C[NH2+]1 ZINC000399013903 364722567 /nfs/dbraw/zinc/72/25/67/364722567.db2.gz BLXMOTLNRKCOFR-UWVGGRQHSA-N 2 2 208.309 0.650 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1CCCC1=O ZINC000573330598 364793833 /nfs/dbraw/zinc/79/38/33/364793833.db2.gz ZJTPMHXIRHTKQY-QWRGUYRKSA-N 2 2 225.336 0.149 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1CCCC1=O ZINC000573330598 364793838 /nfs/dbraw/zinc/79/38/38/364793838.db2.gz ZJTPMHXIRHTKQY-QWRGUYRKSA-N 2 2 225.336 0.149 20 0 BCADLP C[C@@H](C[NH2+]CCC[NH+]1CCCC1)S(C)(=O)=O ZINC000167725012 364803243 /nfs/dbraw/zinc/80/32/43/364803243.db2.gz URODROJAROORMN-NSHDSACASA-N 2 2 248.392 0.495 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H](C)CCCO)n1C ZINC000573505952 364851372 /nfs/dbraw/zinc/85/13/72/364851372.db2.gz HYFSYDHTJPFEHC-SECBINFHSA-N 2 2 211.309 0.979 20 0 BCADLP C[C@H](C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C)CS(C)(=O)=O ZINC000573383335 364818915 /nfs/dbraw/zinc/81/89/15/364818915.db2.gz QZLDORVCLRHKBG-GMTAPVOTSA-N 2 2 248.392 0.479 20 0 BCADLP C[C@H](C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C)CS(C)(=O)=O ZINC000573383335 364818919 /nfs/dbraw/zinc/81/89/19/364818919.db2.gz QZLDORVCLRHKBG-GMTAPVOTSA-N 2 2 248.392 0.479 20 0 BCADLP C[C@H]1CN(c2cc(N3CCCC3)[nH+]cn2)C[C@@H]1[NH3+] ZINC000573823873 364925374 /nfs/dbraw/zinc/92/53/74/364925374.db2.gz JGZFZLFRUOJBRV-QWRGUYRKSA-N 2 2 247.346 0.860 20 0 BCADLP [NH3+]CCCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000181080129 181377111 /nfs/dbraw/zinc/37/71/11/181377111.db2.gz KBCKBZIKQGKABJ-UHFFFAOYSA-N 2 2 232.287 0.803 20 0 BCADLP CCn1ncnc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000168552968 364957088 /nfs/dbraw/zinc/95/70/88/364957088.db2.gz DUPVUCFAGMJNIE-NXEZZACHSA-N 2 2 223.324 0.467 20 0 BCADLP CCn1ncnc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000168552968 364957093 /nfs/dbraw/zinc/95/70/93/364957093.db2.gz DUPVUCFAGMJNIE-NXEZZACHSA-N 2 2 223.324 0.467 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151327227 541441462 /nfs/dbraw/zinc/44/14/62/541441462.db2.gz CNHBDXMHICQLDY-GFCCVEGCSA-N 2 2 248.330 0.468 20 0 BCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc[nH+]cc1O ZINC000574036529 364972981 /nfs/dbraw/zinc/97/29/81/364972981.db2.gz UHOBHHXJBIIMAT-DTWKUNHWSA-N 2 2 235.287 0.536 20 0 BCADLP CN1CC[C@@H]([N@@H+]2CC3CCC2(C[NH3+])CC3)C1=O ZINC000574339282 365041164 /nfs/dbraw/zinc/04/11/64/365041164.db2.gz OUHSHZFDZUXUFT-QWKFWESOSA-N 2 2 237.347 0.420 20 0 BCADLP CN1CC[C@@H]([N@H+]2CC3CCC2(C[NH3+])CC3)C1=O ZINC000574339282 365041167 /nfs/dbraw/zinc/04/11/67/365041167.db2.gz OUHSHZFDZUXUFT-QWKFWESOSA-N 2 2 237.347 0.420 20 0 BCADLP [NH3+]CCCN1CC[NH+](Cc2cccnc2)CC1 ZINC000037037847 181381308 /nfs/dbraw/zinc/38/13/08/181381308.db2.gz VGSUPVXWWRDLHU-UHFFFAOYSA-N 2 2 234.347 0.548 20 0 BCADLP [NH3+]CCC[NH+]1CCN(Cc2cccnc2)CC1 ZINC000037037847 181381311 /nfs/dbraw/zinc/38/13/11/181381311.db2.gz VGSUPVXWWRDLHU-UHFFFAOYSA-N 2 2 234.347 0.548 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CCCC1 ZINC000168954129 365044040 /nfs/dbraw/zinc/04/40/40/365044040.db2.gz BQZQYANQFFVCAF-MNOVXSKESA-N 2 2 225.336 0.420 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CCCC1 ZINC000168954129 365044046 /nfs/dbraw/zinc/04/40/46/365044046.db2.gz BQZQYANQFFVCAF-MNOVXSKESA-N 2 2 225.336 0.420 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000168971271 365045809 /nfs/dbraw/zinc/04/58/09/365045809.db2.gz AVXNBPXTNAMXEB-WDEREUQCSA-N 2 2 227.352 0.666 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000168971271 365045815 /nfs/dbraw/zinc/04/58/15/365045815.db2.gz AVXNBPXTNAMXEB-WDEREUQCSA-N 2 2 227.352 0.666 20 0 BCADLP CO[C@@H]1COC[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000574518562 365073123 /nfs/dbraw/zinc/07/31/23/365073123.db2.gz MYTQSUCQZSOGGI-NNYUYHANSA-N 2 2 228.336 0.473 20 0 BCADLP CO[C@@H]1COC[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000574518562 365073128 /nfs/dbraw/zinc/07/31/28/365073128.db2.gz MYTQSUCQZSOGGI-NNYUYHANSA-N 2 2 228.336 0.473 20 0 BCADLP C[C@H](CC(=O)NCC(C)(C)[NH3+])n1cc[nH+]c1 ZINC000574580656 365095454 /nfs/dbraw/zinc/09/54/54/365095454.db2.gz GQWLFIIFLLPRAF-SECBINFHSA-N 2 2 224.308 0.688 20 0 BCADLP Cn1cc[nH+]c1CSC[C@@H]1C[N@H+](C)CCO1 ZINC000574808645 365144102 /nfs/dbraw/zinc/14/41/02/365144102.db2.gz BPCUURUSNFQPAZ-JTQLQIEISA-N 2 2 241.360 0.984 20 0 BCADLP Cn1cc[nH+]c1CSC[C@@H]1C[N@@H+](C)CCO1 ZINC000574808645 365144104 /nfs/dbraw/zinc/14/41/04/365144104.db2.gz BPCUURUSNFQPAZ-JTQLQIEISA-N 2 2 241.360 0.984 20 0 BCADLP O=C(CC[C@H]1CCC[NH2+]C1)NCc1[nH]cc[nH+]1 ZINC000080626075 370801285 /nfs/dbraw/zinc/80/12/85/370801285.db2.gz ZQBISWMHSMSXOA-SNVBAGLBSA-N 2 2 236.319 0.806 20 0 BCADLP CC[C@H]1C[N@H+](C)CCN1CCn1cc[nH+]c1 ZINC000575176003 365228523 /nfs/dbraw/zinc/22/85/23/365228523.db2.gz AMEDEECPDSREET-LBPRGKRZSA-N 2 2 222.336 0.909 20 0 BCADLP CC[C@H]1C[N@@H+](C)CCN1CCn1cc[nH+]c1 ZINC000575176003 365228528 /nfs/dbraw/zinc/22/85/28/365228528.db2.gz AMEDEECPDSREET-LBPRGKRZSA-N 2 2 222.336 0.909 20 0 BCADLP O=C([C@H]1CC[NH2+]1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000444165579 193040276 /nfs/dbraw/zinc/04/02/76/193040276.db2.gz GQZGABQJCFVXGW-SNVBAGLBSA-N 2 2 234.303 0.478 20 0 BCADLP COc1cc[nH+]cc1NC(=O)[C@H]1CC[NH2+]1 ZINC000444167688 193040558 /nfs/dbraw/zinc/04/05/58/193040558.db2.gz MYMOMMXFJOGHRW-SSDOTTSWSA-N 2 2 207.233 0.391 20 0 BCADLP O=C(NCc1cn2c([nH+]1)CCCC2)[C@H]1CC[NH2+]1 ZINC000444191418 193041116 /nfs/dbraw/zinc/04/11/16/193041116.db2.gz XKJIKSSKNJWIPS-SNVBAGLBSA-N 2 2 234.303 0.198 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)c1coc(C[NH3+])c1 ZINC000444270337 193043464 /nfs/dbraw/zinc/04/34/64/193043464.db2.gz OVFKMTIPTHYJTN-UHFFFAOYSA-N 2 2 234.259 0.700 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000579610494 366907774 /nfs/dbraw/zinc/90/77/74/366907774.db2.gz CGEADDUGKVLSKV-SNVBAGLBSA-N 2 2 236.319 0.675 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)c1ccnc(C[NH3+])c1 ZINC000361631216 366952832 /nfs/dbraw/zinc/95/28/32/366952832.db2.gz JCKHMHZGXPQEIA-UHFFFAOYSA-N 2 2 245.286 0.502 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CF ZINC000579727585 366992829 /nfs/dbraw/zinc/99/28/29/366992829.db2.gz QFABKNMRGIUVIJ-VXGBXAGGSA-N 2 2 248.342 0.359 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CF ZINC000579727585 366992839 /nfs/dbraw/zinc/99/28/39/366992839.db2.gz QFABKNMRGIUVIJ-VXGBXAGGSA-N 2 2 248.342 0.359 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CF ZINC000579727585 366992842 /nfs/dbraw/zinc/99/28/42/366992842.db2.gz QFABKNMRGIUVIJ-VXGBXAGGSA-N 2 2 248.342 0.359 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CF ZINC000579727585 366992849 /nfs/dbraw/zinc/99/28/49/366992849.db2.gz QFABKNMRGIUVIJ-VXGBXAGGSA-N 2 2 248.342 0.359 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CF ZINC000579727584 366993045 /nfs/dbraw/zinc/99/30/45/366993045.db2.gz QFABKNMRGIUVIJ-RYUDHWBXSA-N 2 2 248.342 0.359 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CF ZINC000579727584 366993054 /nfs/dbraw/zinc/99/30/54/366993054.db2.gz QFABKNMRGIUVIJ-RYUDHWBXSA-N 2 2 248.342 0.359 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1CF ZINC000579727584 366993061 /nfs/dbraw/zinc/99/30/61/366993061.db2.gz QFABKNMRGIUVIJ-RYUDHWBXSA-N 2 2 248.342 0.359 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1CF ZINC000579727584 366993068 /nfs/dbraw/zinc/99/30/68/366993068.db2.gz QFABKNMRGIUVIJ-RYUDHWBXSA-N 2 2 248.342 0.359 20 0 BCADLP CCC[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000184077453 367063344 /nfs/dbraw/zinc/06/33/44/367063344.db2.gz RMSGELZOUQQUSM-UHFFFAOYSA-N 2 2 248.330 0.713 20 0 BCADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000580762697 367066558 /nfs/dbraw/zinc/06/65/58/367066558.db2.gz AABJTQJDGZLEBZ-MWLCHTKSSA-N 2 2 240.351 0.069 20 0 BCADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000580762697 367066564 /nfs/dbraw/zinc/06/65/64/367066564.db2.gz AABJTQJDGZLEBZ-MWLCHTKSSA-N 2 2 240.351 0.069 20 0 BCADLP c1[nH+]c2n(c1CNC1=[NH+]CCCN1)CCCC2 ZINC000580784809 367166639 /nfs/dbraw/zinc/16/66/39/367166639.db2.gz CBWSKCACLIONPT-UHFFFAOYSA-N 2 2 233.319 0.658 20 0 BCADLP C[C@H](CC(=O)NC[C@H]([NH3+])C1CC1)n1cc[nH+]c1 ZINC000580959697 367218284 /nfs/dbraw/zinc/21/82/84/367218284.db2.gz YTYTUQAALRBAQQ-KOLCDFICSA-N 2 2 236.319 0.688 20 0 BCADLP C[N@@H+]1CC[C@@H](C(=O)NC(C)(C)c2[nH]cc[nH+]2)C1 ZINC000581137357 367274660 /nfs/dbraw/zinc/27/46/60/367274660.db2.gz QSGNGIQZNJIRRN-SECBINFHSA-N 2 2 236.319 0.713 20 0 BCADLP C[N@H+]1CC[C@@H](C(=O)NC(C)(C)c2[nH]cc[nH+]2)C1 ZINC000581137357 367274665 /nfs/dbraw/zinc/27/46/65/367274665.db2.gz QSGNGIQZNJIRRN-SECBINFHSA-N 2 2 236.319 0.713 20 0 BCADLP CC[NH+](CC)CCC[N@H+](C)CCNC(C)=O ZINC000581227495 367298896 /nfs/dbraw/zinc/29/88/96/367298896.db2.gz LZEQJCGPPQYQIL-UHFFFAOYSA-N 2 2 229.368 0.786 20 0 BCADLP CC[NH+](CC)CCC[N@@H+](C)CCNC(C)=O ZINC000581227495 367298901 /nfs/dbraw/zinc/29/89/01/367298901.db2.gz LZEQJCGPPQYQIL-UHFFFAOYSA-N 2 2 229.368 0.786 20 0 BCADLP O=C(Nc1cc[nH+]cc1O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000581248902 367307711 /nfs/dbraw/zinc/30/77/11/367307711.db2.gz IXRFGNINXOFKIT-QPUJVOFHSA-N 2 2 233.271 0.147 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)CCOC[C@@H]1CCCO1 ZINC000381423037 367400806 /nfs/dbraw/zinc/40/08/06/367400806.db2.gz XWZYRIYYYZUPBZ-MNOVXSKESA-N 2 2 216.325 0.461 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)CCOC[C@@H]1CCCO1 ZINC000381423037 367400812 /nfs/dbraw/zinc/40/08/12/367400812.db2.gz XWZYRIYYYZUPBZ-MNOVXSKESA-N 2 2 216.325 0.461 20 0 BCADLP CCOC[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000381279542 367373912 /nfs/dbraw/zinc/37/39/12/367373912.db2.gz XSVXWMGELVUBGD-JQWIXIFHSA-N 2 2 230.352 0.456 20 0 BCADLP CCOC[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000381279542 367373917 /nfs/dbraw/zinc/37/39/17/367373917.db2.gz XSVXWMGELVUBGD-JQWIXIFHSA-N 2 2 230.352 0.456 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCOCC2)C1 ZINC000381986732 367475729 /nfs/dbraw/zinc/47/57/29/367475729.db2.gz GPUWEKCSOBZWCJ-LLVKDONJSA-N 2 2 228.336 0.212 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+]CC2(O)CCOCC2)C1 ZINC000381986732 367475731 /nfs/dbraw/zinc/47/57/31/367475731.db2.gz GPUWEKCSOBZWCJ-LLVKDONJSA-N 2 2 228.336 0.212 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCCC[C@H]2O)CCO1 ZINC000382039620 367481844 /nfs/dbraw/zinc/48/18/44/367481844.db2.gz HUYAVHZQTCPCJC-QJPTWQEYSA-N 2 2 228.336 0.197 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@H]2O)CCO1 ZINC000382039620 367481846 /nfs/dbraw/zinc/48/18/46/367481846.db2.gz HUYAVHZQTCPCJC-QJPTWQEYSA-N 2 2 228.336 0.197 20 0 BCADLP CC[C@@H]([NH3+])CNC(=O)Nc1cc(C)[nH+]cc1C ZINC000581417355 367459629 /nfs/dbraw/zinc/45/96/29/367459629.db2.gz YGKPWHVGVZFIGS-SNVBAGLBSA-N 2 2 236.319 0.979 20 0 BCADLP [NH3+]C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000382515703 367532547 /nfs/dbraw/zinc/53/25/47/367532547.db2.gz REBOASAUVSDMJH-QWRGUYRKSA-N 2 2 236.319 0.517 20 0 BCADLP CC[NH+](C[C@@H](C)OC)C[C@@H](O)C[N@@H+](C)CC ZINC000383102701 367596745 /nfs/dbraw/zinc/59/67/45/367596745.db2.gz CCUZGWJIPXXCRZ-NEPJUHHUSA-N 2 2 232.368 0.656 20 0 BCADLP CC[NH+](C[C@@H](C)OC)C[C@@H](O)C[N@H+](C)CC ZINC000383102701 367596749 /nfs/dbraw/zinc/59/67/49/367596749.db2.gz CCUZGWJIPXXCRZ-NEPJUHHUSA-N 2 2 232.368 0.656 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](CC)C[C@@H](C)OC ZINC000383102701 367596753 /nfs/dbraw/zinc/59/67/53/367596753.db2.gz CCUZGWJIPXXCRZ-NEPJUHHUSA-N 2 2 232.368 0.656 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](CC)C[C@@H](C)OC ZINC000383102701 367596754 /nfs/dbraw/zinc/59/67/54/367596754.db2.gz CCUZGWJIPXXCRZ-NEPJUHHUSA-N 2 2 232.368 0.656 20 0 BCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc(O)c1 ZINC000383486374 367627925 /nfs/dbraw/zinc/62/79/25/367627925.db2.gz QULHHKMDLYFLIO-GXFFZTMASA-N 2 2 238.331 0.965 20 0 BCADLP CC[NH+](C[C@H](O)C[N@@H+](C)CC)C[C@H]1CCCO1 ZINC000383496665 367629175 /nfs/dbraw/zinc/62/91/75/367629175.db2.gz DITSTDFQDPSKHM-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C[C@H](O)C[N@H+](C)CC)C[C@H]1CCCO1 ZINC000383496665 367629179 /nfs/dbraw/zinc/62/91/79/367629179.db2.gz DITSTDFQDPSKHM-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](CC)C[C@H]1CCCO1 ZINC000383496665 367629181 /nfs/dbraw/zinc/62/91/81/367629181.db2.gz DITSTDFQDPSKHM-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)C[C@H]1CCCO1 ZINC000383496665 367629185 /nfs/dbraw/zinc/62/91/85/367629185.db2.gz DITSTDFQDPSKHM-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000383644572 367645774 /nfs/dbraw/zinc/64/57/74/367645774.db2.gz CDKUAMJBUBDWQD-DGCLKSJQSA-N 3 2 243.395 0.371 20 0 BCADLP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000383644572 367645778 /nfs/dbraw/zinc/64/57/78/367645778.db2.gz CDKUAMJBUBDWQD-DGCLKSJQSA-N 3 2 243.395 0.371 20 0 BCADLP CC[N@H+](C)C[C@@H](O)CN(C)Cc1[nH+]ccn1C ZINC000383661654 367647160 /nfs/dbraw/zinc/64/71/60/367647160.db2.gz GLAVJXNWZCYLAU-LLVKDONJSA-N 2 2 240.351 0.165 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)CN(C)Cc1[nH+]ccn1C ZINC000383661654 367647167 /nfs/dbraw/zinc/64/71/67/367647167.db2.gz GLAVJXNWZCYLAU-LLVKDONJSA-N 2 2 240.351 0.165 20 0 BCADLP CCC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1CC1 ZINC000383734931 367649975 /nfs/dbraw/zinc/64/99/75/367649975.db2.gz HOQPDYOYFIJCIQ-ZDUSSCGKSA-N 2 2 244.379 0.800 20 0 BCADLP CCC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1CC1 ZINC000383734931 367649976 /nfs/dbraw/zinc/64/99/76/367649976.db2.gz HOQPDYOYFIJCIQ-ZDUSSCGKSA-N 2 2 244.379 0.800 20 0 BCADLP CCC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1CC1 ZINC000383734931 367649978 /nfs/dbraw/zinc/64/99/78/367649978.db2.gz HOQPDYOYFIJCIQ-ZDUSSCGKSA-N 2 2 244.379 0.800 20 0 BCADLP CCC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1CC1 ZINC000383734931 367649979 /nfs/dbraw/zinc/64/99/79/367649979.db2.gz HOQPDYOYFIJCIQ-ZDUSSCGKSA-N 2 2 244.379 0.800 20 0 BCADLP C[C@H]1[C@@H](CO)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000385620500 367848437 /nfs/dbraw/zinc/84/84/37/367848437.db2.gz GZHKQQAVFNJCOD-WDEREUQCSA-N 2 2 209.293 0.586 20 0 BCADLP C[C@H]1[C@@H](CO)CC[N@H+]1CCn1cc[nH+]c1 ZINC000385620500 367848443 /nfs/dbraw/zinc/84/84/43/367848443.db2.gz GZHKQQAVFNJCOD-WDEREUQCSA-N 2 2 209.293 0.586 20 0 BCADLP C[N@@H+]1CCN(C(=O)C2CC=CC2)[C@@H](C[NH3+])C1 ZINC000087613611 367919610 /nfs/dbraw/zinc/91/96/10/367919610.db2.gz VQDCRMWXDVSMFE-NSHDSACASA-N 2 2 223.320 0.054 20 0 BCADLP C[N@H+]1CCN(C(=O)C2CC=CC2)[C@@H](C[NH3+])C1 ZINC000087613611 367919613 /nfs/dbraw/zinc/91/96/13/367919613.db2.gz VQDCRMWXDVSMFE-NSHDSACASA-N 2 2 223.320 0.054 20 0 BCADLP C[N@@H+]1CCN(C(=O)C2CC=CC2)[C@H](C[NH3+])C1 ZINC000087613610 367919850 /nfs/dbraw/zinc/91/98/50/367919850.db2.gz VQDCRMWXDVSMFE-LLVKDONJSA-N 2 2 223.320 0.054 20 0 BCADLP C[N@H+]1CCN(C(=O)C2CC=CC2)[C@H](C[NH3+])C1 ZINC000087613610 367919854 /nfs/dbraw/zinc/91/98/54/367919854.db2.gz VQDCRMWXDVSMFE-LLVKDONJSA-N 2 2 223.320 0.054 20 0 BCADLP COC[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)OC ZINC000386539617 367988820 /nfs/dbraw/zinc/98/88/20/367988820.db2.gz CWQZUZILKJPMAU-GRYCIOLGSA-N 2 2 230.352 0.768 20 0 BCADLP COC[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)OC ZINC000386539619 367989240 /nfs/dbraw/zinc/98/92/40/367989240.db2.gz CWQZUZILKJPMAU-SRVKXCTJSA-N 2 2 230.352 0.768 20 0 BCADLP CC1CC[NH+](CC[NH2+]CCC(N)=O)CC1 ZINC000581938759 367965156 /nfs/dbraw/zinc/96/51/56/367965156.db2.gz SFQPLDZCKSEHIO-UHFFFAOYSA-N 2 2 213.325 0.183 20 0 BCADLP CC(C)[N@H+](CCN1CC[NH2+]CC1)CC(F)F ZINC000386987143 368040983 /nfs/dbraw/zinc/04/09/83/368040983.db2.gz BHQWTDCRCOZUEG-UHFFFAOYSA-N 2 2 235.322 0.867 20 0 BCADLP CC(C)[N@@H+](CCN1CC[NH2+]CC1)CC(F)F ZINC000386987143 368040987 /nfs/dbraw/zinc/04/09/87/368040987.db2.gz BHQWTDCRCOZUEG-UHFFFAOYSA-N 2 2 235.322 0.867 20 0 BCADLP CC[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)[C@@H](C)O ZINC000386866350 368029878 /nfs/dbraw/zinc/02/98/78/368029878.db2.gz KEWFQCXQQGSBNR-KOLCDFICSA-N 2 2 240.351 0.735 20 0 BCADLP CC(C)[C@@H](C(=O)N(C)Cc1[nH]cc[nH+]1)[C@H](C)[NH3+] ZINC000399575634 368248741 /nfs/dbraw/zinc/24/87/41/368248741.db2.gz LQZJMRLFAVQPBR-GXSJLCMTSA-N 2 2 238.335 0.988 20 0 BCADLP CCC(CC)C[N@@H+]1CCN(C)C[C@@H]1C[NH3+] ZINC000087613435 368895472 /nfs/dbraw/zinc/89/54/72/368895472.db2.gz KRHBGAVSNBQSKH-LBPRGKRZSA-N 2 2 213.369 0.997 20 0 BCADLP CCC(CC)C[N@H+]1CCN(C)C[C@@H]1C[NH3+] ZINC000087613435 368895475 /nfs/dbraw/zinc/89/54/75/368895475.db2.gz KRHBGAVSNBQSKH-LBPRGKRZSA-N 2 2 213.369 0.997 20 0 BCADLP CCC(CC)CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613435 368895481 /nfs/dbraw/zinc/89/54/81/368895481.db2.gz KRHBGAVSNBQSKH-LBPRGKRZSA-N 2 2 213.369 0.997 20 0 BCADLP CCC(CC)CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613435 368895484 /nfs/dbraw/zinc/89/54/84/368895484.db2.gz KRHBGAVSNBQSKH-LBPRGKRZSA-N 2 2 213.369 0.997 20 0 BCADLP CCn1ncnc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000088584754 368917859 /nfs/dbraw/zinc/91/78/59/368917859.db2.gz LBCXNUZYDCQWRS-GHMZBOCLSA-N 2 2 237.351 0.857 20 0 BCADLP CCn1ncnc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000088584754 368917867 /nfs/dbraw/zinc/91/78/67/368917867.db2.gz LBCXNUZYDCQWRS-GHMZBOCLSA-N 2 2 237.351 0.857 20 0 BCADLP CCn1ncnc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000088584753 368918792 /nfs/dbraw/zinc/91/87/92/368918792.db2.gz LBCXNUZYDCQWRS-MNOVXSKESA-N 2 2 237.351 0.857 20 0 BCADLP CCn1ncnc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000088584753 368918796 /nfs/dbraw/zinc/91/87/96/368918796.db2.gz LBCXNUZYDCQWRS-MNOVXSKESA-N 2 2 237.351 0.857 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2ccccn2)C1 ZINC000631823787 368984266 /nfs/dbraw/zinc/98/42/66/368984266.db2.gz NYKODJVTHPPDHO-MNOVXSKESA-N 2 2 248.330 0.689 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2ccccn2)C1 ZINC000631823787 368984274 /nfs/dbraw/zinc/98/42/74/368984274.db2.gz NYKODJVTHPPDHO-MNOVXSKESA-N 2 2 248.330 0.689 20 0 BCADLP Cc1nccnc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000631823490 368982094 /nfs/dbraw/zinc/98/20/94/368982094.db2.gz FVHGBKFVDYYPJE-CYBMUJFWSA-N 2 2 232.331 0.970 20 0 BCADLP Cc1nccnc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000631823490 368982099 /nfs/dbraw/zinc/98/20/99/368982099.db2.gz FVHGBKFVDYYPJE-CYBMUJFWSA-N 2 2 232.331 0.970 20 0 BCADLP C[NH2+]CCC[N@H+](C)[C@@H]1CCN(C2CCC2)C1=O ZINC000631828137 368997393 /nfs/dbraw/zinc/99/73/93/368997393.db2.gz GGAROMLEFUWKLF-GFCCVEGCSA-N 2 2 239.363 0.681 20 0 BCADLP C[NH2+]CCC[N@@H+](C)[C@@H]1CCN(C2CCC2)C1=O ZINC000631828137 368997399 /nfs/dbraw/zinc/99/73/99/368997399.db2.gz GGAROMLEFUWKLF-GFCCVEGCSA-N 2 2 239.363 0.681 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834703 369034151 /nfs/dbraw/zinc/03/41/51/369034151.db2.gz DFYGXMSKTCUGFN-JTQLQIEISA-N 2 2 213.325 0.278 20 0 BCADLP CN(C)C(=O)C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834703 369034156 /nfs/dbraw/zinc/03/41/56/369034156.db2.gz DFYGXMSKTCUGFN-JTQLQIEISA-N 2 2 213.325 0.278 20 0 BCADLP CN1CCC[C@@H]([N@@H+]2CCCCC[C@H]([NH3+])C2)C1=O ZINC000631835791 369048670 /nfs/dbraw/zinc/04/86/70/369048670.db2.gz XWLMDWBMGWGURJ-NWDGAFQWSA-N 2 2 239.363 0.811 20 0 BCADLP CN1CCC[C@@H]([N@H+]2CCCCC[C@H]([NH3+])C2)C1=O ZINC000631835791 369048671 /nfs/dbraw/zinc/04/86/71/369048671.db2.gz XWLMDWBMGWGURJ-NWDGAFQWSA-N 2 2 239.363 0.811 20 0 BCADLP [NH3+][C@H]1CCCCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000631835247 369042288 /nfs/dbraw/zinc/04/22/88/369042288.db2.gz PTJUHRIZKXLONG-UWVGGRQHSA-N 2 2 211.309 0.078 20 0 BCADLP [NH3+][C@H]1CCCCC[N@H+]([C@H]2CCNC2=O)C1 ZINC000631835247 369042291 /nfs/dbraw/zinc/04/22/91/369042291.db2.gz PTJUHRIZKXLONG-UWVGGRQHSA-N 2 2 211.309 0.078 20 0 BCADLP [NH3+][C@@H]1CCCCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000631835246 369042742 /nfs/dbraw/zinc/04/27/42/369042742.db2.gz PTJUHRIZKXLONG-NXEZZACHSA-N 2 2 211.309 0.078 20 0 BCADLP [NH3+][C@@H]1CCCCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000631835246 369042744 /nfs/dbraw/zinc/04/27/44/369042744.db2.gz PTJUHRIZKXLONG-NXEZZACHSA-N 2 2 211.309 0.078 20 0 BCADLP Cn1nncc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623655750 368991460 /nfs/dbraw/zinc/99/14/60/368991460.db2.gz DPMWQKQLHSOOOK-NSHDSACASA-N 2 2 237.351 0.637 20 0 BCADLP Cn1nncc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623655750 368991466 /nfs/dbraw/zinc/99/14/66/368991466.db2.gz DPMWQKQLHSOOOK-NSHDSACASA-N 2 2 237.351 0.637 20 0 BCADLP Cn1nncc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623655749 368991742 /nfs/dbraw/zinc/99/17/42/368991742.db2.gz DPMWQKQLHSOOOK-LLVKDONJSA-N 2 2 237.351 0.637 20 0 BCADLP Cn1nncc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623655749 368991746 /nfs/dbraw/zinc/99/17/46/368991746.db2.gz DPMWQKQLHSOOOK-LLVKDONJSA-N 2 2 237.351 0.637 20 0 BCADLP NC(=O)[C@H]1C[C@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000623662884 369079957 /nfs/dbraw/zinc/07/99/57/369079957.db2.gz OYRSYYJSBUKFIL-MGCOHNPYSA-N 2 2 244.298 0.688 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000459349596 203265232 /nfs/dbraw/zinc/26/52/32/203265232.db2.gz FGZWJMDDLJDRIN-UHFFFAOYSA-N 2 2 248.330 0.269 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000459349596 203265235 /nfs/dbraw/zinc/26/52/35/203265235.db2.gz FGZWJMDDLJDRIN-UHFFFAOYSA-N 2 2 248.330 0.269 20 0 BCADLP CCOC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404437833 369429205 /nfs/dbraw/zinc/42/92/05/369429205.db2.gz SDRMCQAVTUOONW-GHMZBOCLSA-N 2 2 228.336 0.999 20 0 BCADLP CCOC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404437833 369429211 /nfs/dbraw/zinc/42/92/11/369429211.db2.gz SDRMCQAVTUOONW-GHMZBOCLSA-N 2 2 228.336 0.999 20 0 BCADLP CCOC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404437837 369429606 /nfs/dbraw/zinc/42/96/06/369429606.db2.gz SDRMCQAVTUOONW-QWRGUYRKSA-N 2 2 228.336 0.999 20 0 BCADLP CCOC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404437837 369429609 /nfs/dbraw/zinc/42/96/09/369429609.db2.gz SDRMCQAVTUOONW-QWRGUYRKSA-N 2 2 228.336 0.999 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2cn(C)cn2)C1 ZINC000459654398 203330285 /nfs/dbraw/zinc/33/02/85/203330285.db2.gz FLFGDMUYMUTBEL-YPMHNXCESA-N 2 2 236.363 0.892 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2cn(C)cn2)C1 ZINC000459654398 203330290 /nfs/dbraw/zinc/33/02/90/203330290.db2.gz FLFGDMUYMUTBEL-YPMHNXCESA-N 2 2 236.363 0.892 20 0 BCADLP CCn1nccc1CC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631861541 369470130 /nfs/dbraw/zinc/47/01/30/369470130.db2.gz DBYUNUUWMIVLPH-QWRGUYRKSA-N 2 2 222.336 0.867 20 0 BCADLP CCn1nccc1CC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631861541 369470135 /nfs/dbraw/zinc/47/01/35/369470135.db2.gz DBYUNUUWMIVLPH-QWRGUYRKSA-N 2 2 222.336 0.867 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCCN1CCOCC1 ZINC000631860898 369470220 /nfs/dbraw/zinc/47/02/20/369470220.db2.gz RGPDRWNOHPSEHN-NEPJUHHUSA-N 2 2 227.352 0.130 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCCN1CCOCC1 ZINC000631860898 369470225 /nfs/dbraw/zinc/47/02/25/369470225.db2.gz RGPDRWNOHPSEHN-NEPJUHHUSA-N 2 2 227.352 0.130 20 0 BCADLP CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000619898430 369629499 /nfs/dbraw/zinc/62/94/99/369629499.db2.gz FSFVQJUVBUYIAV-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000619898430 369629503 /nfs/dbraw/zinc/62/95/03/369629503.db2.gz FSFVQJUVBUYIAV-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP CC(C)[N@H+](C)CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620597400 369947806 /nfs/dbraw/zinc/94/78/06/369947806.db2.gz ZRUNQAQLDYVDEP-SNVBAGLBSA-N 2 2 238.335 0.938 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620597400 369947814 /nfs/dbraw/zinc/94/78/14/369947814.db2.gz ZRUNQAQLDYVDEP-SNVBAGLBSA-N 2 2 238.335 0.938 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000309831900 370266007 /nfs/dbraw/zinc/26/60/07/370266007.db2.gz YSQMRVKDWGGRMO-UTUOFQBUSA-N 3 2 211.353 0.655 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000309831900 370266010 /nfs/dbraw/zinc/26/60/10/370266010.db2.gz YSQMRVKDWGGRMO-UTUOFQBUSA-N 3 2 211.353 0.655 20 0 BCADLP [NH3+][C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC000621699299 370446421 /nfs/dbraw/zinc/44/64/21/370446421.db2.gz RGIFOKUFQNALIT-AAEUAGOBSA-N 2 2 248.330 0.613 20 0 BCADLP CCn1cc(CC[N@@H+]2CC[C@@H]([NH3+])C2)cn1 ZINC000621774363 370520383 /nfs/dbraw/zinc/52/03/83/370520383.db2.gz ROLVIGVUQRWANC-LLVKDONJSA-N 2 2 208.309 0.479 20 0 BCADLP CCn1cc(CC[N@H+]2CC[C@@H]([NH3+])C2)cn1 ZINC000621774363 370520389 /nfs/dbraw/zinc/52/03/89/370520389.db2.gz ROLVIGVUQRWANC-LLVKDONJSA-N 2 2 208.309 0.479 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](CC(N)=O)C2)n1C ZINC000621728339 370480082 /nfs/dbraw/zinc/48/00/82/370480082.db2.gz MBRDZHUSYYCFQO-SNVBAGLBSA-N 2 2 236.319 0.426 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](CC(N)=O)C2)n1C ZINC000621728339 370480083 /nfs/dbraw/zinc/48/00/83/370480083.db2.gz MBRDZHUSYYCFQO-SNVBAGLBSA-N 2 2 236.319 0.426 20 0 BCADLP CCn1cc(CC[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)cn1 ZINC000621776622 370525452 /nfs/dbraw/zinc/52/54/52/370525452.db2.gz QCGKZIJEYRBBTN-JQWIXIFHSA-N 2 2 222.336 0.867 20 0 BCADLP CCn1cc(CC[N@H+]2CC[C@H]([NH3+])[C@@H]2C)cn1 ZINC000621776622 370525454 /nfs/dbraw/zinc/52/54/54/370525454.db2.gz QCGKZIJEYRBBTN-JQWIXIFHSA-N 2 2 222.336 0.867 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621779082 370529166 /nfs/dbraw/zinc/52/91/66/370529166.db2.gz ZLPUOAGUQQHWQF-NRUUGDAUSA-N 2 2 237.347 0.467 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621779082 370529173 /nfs/dbraw/zinc/52/91/73/370529173.db2.gz ZLPUOAGUQQHWQF-NRUUGDAUSA-N 2 2 237.347 0.467 20 0 BCADLP [NH3+][C@]12CCC[C@H]1C[N@H+](CCN1CCOCC1)C2 ZINC000621782990 370531934 /nfs/dbraw/zinc/53/19/34/370531934.db2.gz VNLFTLNSESHFRU-STQMWFEESA-N 2 2 239.363 0.132 20 0 BCADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCN1CCOCC1)C2 ZINC000621782990 370531938 /nfs/dbraw/zinc/53/19/38/370531938.db2.gz VNLFTLNSESHFRU-STQMWFEESA-N 2 2 239.363 0.132 20 0 BCADLP [NH3+][C@]12CCC[C@H]1CN(CC[NH+]1CCOCC1)C2 ZINC000621782990 370531942 /nfs/dbraw/zinc/53/19/42/370531942.db2.gz VNLFTLNSESHFRU-STQMWFEESA-N 2 2 239.363 0.132 20 0 BCADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)[C@@H]1C[C@H]1C ZINC000623759376 371084552 /nfs/dbraw/zinc/08/45/52/371084552.db2.gz JZCVBZXSHHAOLS-WRWGMCAJSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)[C@@H]1C[C@H]1C ZINC000623759376 371084556 /nfs/dbraw/zinc/08/45/56/371084556.db2.gz JZCVBZXSHHAOLS-WRWGMCAJSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)CCO1 ZINC000623837470 371119229 /nfs/dbraw/zinc/11/92/29/371119229.db2.gz GLRLQOVJDAVGNG-UTUOFQBUSA-N 2 2 228.336 0.210 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)CCO1 ZINC000623837470 371119232 /nfs/dbraw/zinc/11/92/32/371119232.db2.gz GLRLQOVJDAVGNG-UTUOFQBUSA-N 2 2 228.336 0.210 20 0 BCADLP C[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000623837064 371119390 /nfs/dbraw/zinc/11/93/90/371119390.db2.gz WLHFDNKVLFMRQZ-WOPDTQHZSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000623837064 371119396 /nfs/dbraw/zinc/11/93/96/371119396.db2.gz WLHFDNKVLFMRQZ-WOPDTQHZSA-N 2 2 212.337 0.831 20 0 BCADLP CC[C@@H](C)C[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000623837664 371120782 /nfs/dbraw/zinc/12/07/82/371120782.db2.gz OMCFCSFIMYMWML-MNOVXSKESA-N 2 2 200.326 0.689 20 0 BCADLP CC[C@@H](C)C[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000623837664 371120783 /nfs/dbraw/zinc/12/07/83/371120783.db2.gz OMCFCSFIMYMWML-MNOVXSKESA-N 2 2 200.326 0.689 20 0 BCADLP Cn1ccc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)c1 ZINC000623837794 371120963 /nfs/dbraw/zinc/12/09/63/371120963.db2.gz UZIXMFFIYWGBAI-LBPRGKRZSA-N 2 2 223.320 0.181 20 0 BCADLP Cn1ccc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)c1 ZINC000623837794 371120967 /nfs/dbraw/zinc/12/09/67/371120967.db2.gz UZIXMFFIYWGBAI-LBPRGKRZSA-N 2 2 223.320 0.181 20 0 BCADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)[C@@H]1C[C@H]1C ZINC000623838190 371121809 /nfs/dbraw/zinc/12/18/09/371121809.db2.gz JZCVBZXSHHAOLS-WISYIIOYSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)[C@@H]1C[C@H]1C ZINC000623838190 371121813 /nfs/dbraw/zinc/12/18/13/371121813.db2.gz JZCVBZXSHHAOLS-WISYIIOYSA-N 2 2 212.337 0.687 20 0 BCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000568998959 326385981 /nfs/dbraw/zinc/38/59/81/326385981.db2.gz KCIBWHPRWLBECX-SECBINFHSA-N 2 2 249.305 0.571 20 0 BCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000568998959 326385982 /nfs/dbraw/zinc/38/59/82/326385982.db2.gz KCIBWHPRWLBECX-SECBINFHSA-N 2 2 249.305 0.571 20 0 BCADLP C[N@@H+](Cc1ccccc1C#N)C[C@@H](O)C[NH3+] ZINC000390165548 371189103 /nfs/dbraw/zinc/18/91/03/371189103.db2.gz DVUWEYJBTVIMTG-LBPRGKRZSA-N 2 2 219.288 0.310 20 0 BCADLP C[N@H+](Cc1ccccc1C#N)C[C@@H](O)C[NH3+] ZINC000390165548 371189105 /nfs/dbraw/zinc/18/91/05/371189105.db2.gz DVUWEYJBTVIMTG-LBPRGKRZSA-N 2 2 219.288 0.310 20 0 BCADLP C[C@@H](C[NH2+]Cc1ccc(=O)[nH]c1)[NH+](C)C ZINC000631065822 371256489 /nfs/dbraw/zinc/25/64/89/371256489.db2.gz UKXMXQZVHYXYPN-VIFPVBQESA-N 2 2 209.293 0.827 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000624131380 371332716 /nfs/dbraw/zinc/33/27/16/371332716.db2.gz LZKXUOFQQVPNFN-GMOBBJLQSA-N 2 2 237.347 0.323 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000624131380 371332720 /nfs/dbraw/zinc/33/27/20/371332720.db2.gz LZKXUOFQQVPNFN-GMOBBJLQSA-N 2 2 237.347 0.323 20 0 BCADLP C[C@H](CCCCO)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624230027 371415085 /nfs/dbraw/zinc/41/50/85/371415085.db2.gz KWSQPNOTDSYHLI-VXGBXAGGSA-N 2 2 230.352 0.194 20 0 BCADLP C[C@H](CCCCO)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624230027 371415091 /nfs/dbraw/zinc/41/50/91/371415091.db2.gz KWSQPNOTDSYHLI-VXGBXAGGSA-N 2 2 230.352 0.194 20 0 BCADLP CCC[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624227084 371415897 /nfs/dbraw/zinc/41/58/97/371415897.db2.gz GRAZIIMXODWFRP-WDEREUQCSA-N 2 2 200.326 0.831 20 0 BCADLP CCC[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624227084 371415899 /nfs/dbraw/zinc/41/58/99/371415899.db2.gz GRAZIIMXODWFRP-WDEREUQCSA-N 2 2 200.326 0.831 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCOCC2)C1 ZINC000624229514 371417126 /nfs/dbraw/zinc/41/71/26/371417126.db2.gz XFDBOWSKSLWGAW-NWDGAFQWSA-N 2 2 228.336 0.212 20 0 BCADLP O[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCOCC2)C1 ZINC000624229514 371417131 /nfs/dbraw/zinc/41/71/31/371417131.db2.gz XFDBOWSKSLWGAW-NWDGAFQWSA-N 2 2 228.336 0.212 20 0 BCADLP CCOC1CC([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000624229428 371417364 /nfs/dbraw/zinc/41/73/64/371417364.db2.gz UCVDSTQUGADWJL-MOENNCHZSA-N 2 2 228.336 0.210 20 0 BCADLP CCOC1CC([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000624229428 371417368 /nfs/dbraw/zinc/41/73/68/371417368.db2.gz UCVDSTQUGADWJL-MOENNCHZSA-N 2 2 228.336 0.210 20 0 BCADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)[C@H]1CCCOC1 ZINC000624230179 371418161 /nfs/dbraw/zinc/41/81/61/371418161.db2.gz POHGERXXFXJSAE-RWMBFGLXSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)[C@H]1CCCOC1 ZINC000624230179 371418164 /nfs/dbraw/zinc/41/81/64/371418164.db2.gz POHGERXXFXJSAE-RWMBFGLXSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)[C@@H]1C ZINC000624230892 371418949 /nfs/dbraw/zinc/41/89/49/371418949.db2.gz KJVMSAIIEUSWEK-KKOKHZNYSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)[C@@H]1C ZINC000624230892 371418952 /nfs/dbraw/zinc/41/89/52/371418952.db2.gz KJVMSAIIEUSWEK-KKOKHZNYSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)C1CCC1 ZINC000624333081 371485248 /nfs/dbraw/zinc/48/52/48/371485248.db2.gz IESSWSHKSPCWDB-PWSUYJOCSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)C1CCC1 ZINC000624333081 371485253 /nfs/dbraw/zinc/48/52/53/371485253.db2.gz IESSWSHKSPCWDB-PWSUYJOCSA-N 2 2 212.337 0.831 20 0 BCADLP CC[NH+]1CCC([NH2+]CCN2CC[C@H](O)C2)CC1 ZINC000624333069 371485371 /nfs/dbraw/zinc/48/53/71/371485371.db2.gz HZNICBXPJFLAOD-ZDUSSCGKSA-N 2 2 241.379 0.127 20 0 BCADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)C1CCOCC1 ZINC000624334591 371485577 /nfs/dbraw/zinc/48/55/77/371485577.db2.gz CTMNZNIBJLVETK-AAEUAGOBSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)C1CCOCC1 ZINC000624334591 371485581 /nfs/dbraw/zinc/48/55/81/371485581.db2.gz CTMNZNIBJLVETK-AAEUAGOBSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)C1CCC1 ZINC000624333080 371485623 /nfs/dbraw/zinc/48/56/23/371485623.db2.gz IESSWSHKSPCWDB-JQWIXIFHSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)C1CCC1 ZINC000624333080 371485627 /nfs/dbraw/zinc/48/56/27/371485627.db2.gz IESSWSHKSPCWDB-JQWIXIFHSA-N 2 2 212.337 0.831 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+][C@H]2CCCOCC2)C1 ZINC000624336692 371486547 /nfs/dbraw/zinc/48/65/47/371486547.db2.gz XFDBOWSKSLWGAW-RYUDHWBXSA-N 2 2 228.336 0.212 20 0 BCADLP O[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCCOCC2)C1 ZINC000624336692 371486551 /nfs/dbraw/zinc/48/65/51/371486551.db2.gz XFDBOWSKSLWGAW-RYUDHWBXSA-N 2 2 228.336 0.212 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)[C@H]1C ZINC000624339030 371487991 /nfs/dbraw/zinc/48/79/91/371487991.db2.gz KJVMSAIIEUSWEK-NOOOWODRSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)[C@H]1C ZINC000624339030 371487995 /nfs/dbraw/zinc/48/79/95/371487995.db2.gz KJVMSAIIEUSWEK-NOOOWODRSA-N 2 2 212.337 0.687 20 0 BCADLP CC[C@@H](C(=O)N1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000627369461 371587806 /nfs/dbraw/zinc/58/78/06/371587806.db2.gz ULSNBJPBTLKCCP-NSHDSACASA-N 2 2 236.319 0.635 20 0 BCADLP CC[C@@H](C(=O)N1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000627369461 371587810 /nfs/dbraw/zinc/58/78/10/371587810.db2.gz ULSNBJPBTLKCCP-NSHDSACASA-N 2 2 236.319 0.635 20 0 BCADLP COC(=O)c1ccc(C[N@H+](C)CCC[NH3+])nc1 ZINC000133812407 372115422 /nfs/dbraw/zinc/11/54/22/372115422.db2.gz SMWXPMWCOVABCA-UHFFFAOYSA-N 2 2 237.303 0.649 20 0 BCADLP COC(=O)c1ccc(C[N@@H+](C)CCC[NH3+])nc1 ZINC000133812407 372115425 /nfs/dbraw/zinc/11/54/25/372115425.db2.gz SMWXPMWCOVABCA-UHFFFAOYSA-N 2 2 237.303 0.649 20 0 BCADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H](O)C(F)(F)F ZINC000631716597 372521036 /nfs/dbraw/zinc/52/10/36/372521036.db2.gz CYPPGDVPNJNRDG-CBAPKCEASA-N 2 2 240.269 0.982 20 0 BCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccccn1 ZINC000631823044 372600440 /nfs/dbraw/zinc/60/04/40/372600440.db2.gz UZLANSZNCSLFQO-GHMZBOCLSA-N 2 2 248.330 0.689 20 0 BCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccccn1 ZINC000631823044 372600447 /nfs/dbraw/zinc/60/04/47/372600447.db2.gz UZLANSZNCSLFQO-GHMZBOCLSA-N 2 2 248.330 0.689 20 0 BCADLP [NH3+]C1CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000631820809 372593033 /nfs/dbraw/zinc/59/30/33/372593033.db2.gz HAWBOJZHHWVXPC-GFCCVEGCSA-N 2 2 237.347 0.563 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000631820788 372593130 /nfs/dbraw/zinc/59/31/30/372593130.db2.gz GHJXDNFLLVHABZ-MNOVXSKESA-N 2 2 235.335 0.579 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000631820788 372593133 /nfs/dbraw/zinc/59/31/33/372593133.db2.gz GHJXDNFLLVHABZ-MNOVXSKESA-N 2 2 235.335 0.579 20 0 BCADLP c1nc2n(n1)[C@H](C[N@@H+]1CCC[NH2+]CC1)CC2 ZINC000631821283 372595227 /nfs/dbraw/zinc/59/52/27/372595227.db2.gz UCSKZIZBFJMCJT-JTQLQIEISA-N 2 2 221.308 0.061 20 0 BCADLP c1nc2n(n1)[C@H](C[N@H+]1CCC[NH2+]CC1)CC2 ZINC000631821283 372595234 /nfs/dbraw/zinc/59/52/34/372595234.db2.gz UCSKZIZBFJMCJT-JTQLQIEISA-N 2 2 221.308 0.061 20 0 BCADLP C[NH2+][C@H]1CCC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631821211 372595370 /nfs/dbraw/zinc/59/53/70/372595370.db2.gz RLZTWSSCHFKDRB-WDEREUQCSA-N 2 2 235.335 0.449 20 0 BCADLP C[NH2+][C@H]1CCC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631821211 372595374 /nfs/dbraw/zinc/59/53/74/372595374.db2.gz RLZTWSSCHFKDRB-WDEREUQCSA-N 2 2 235.335 0.449 20 0 BCADLP c1nc2n(n1)[C@@H](C[N@@H+]1CCC[NH2+]CC1)CC2 ZINC000631821284 372595852 /nfs/dbraw/zinc/59/58/52/372595852.db2.gz UCSKZIZBFJMCJT-SNVBAGLBSA-N 2 2 221.308 0.061 20 0 BCADLP c1nc2n(n1)[C@@H](C[N@H+]1CCC[NH2+]CC1)CC2 ZINC000631821284 372595858 /nfs/dbraw/zinc/59/58/58/372595858.db2.gz UCSKZIZBFJMCJT-SNVBAGLBSA-N 2 2 221.308 0.061 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)C[C@H]1CCc2ncnn21 ZINC000631821808 372596533 /nfs/dbraw/zinc/59/65/33/372596533.db2.gz JVOLSNXTNXCEFD-DTWKUNHWSA-N 2 2 209.297 0.044 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC000631821808 372596540 /nfs/dbraw/zinc/59/65/40/372596540.db2.gz JVOLSNXTNXCEFD-DTWKUNHWSA-N 2 2 209.297 0.044 20 0 BCADLP c1nc2n(n1)[C@@H](C[N@H+](C1CC1)[C@H]1CC[NH2+]C1)CC2 ZINC000631822793 372598863 /nfs/dbraw/zinc/59/88/63/372598863.db2.gz OPHCZJDRCZEVRT-NWDGAFQWSA-N 2 2 247.346 0.592 20 0 BCADLP c1nc2n(n1)[C@@H](C[N@@H+](C1CC1)[C@H]1CC[NH2+]C1)CC2 ZINC000631822793 372598869 /nfs/dbraw/zinc/59/88/69/372598869.db2.gz OPHCZJDRCZEVRT-NWDGAFQWSA-N 2 2 247.346 0.592 20 0 BCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccccn1 ZINC000631823045 372600178 /nfs/dbraw/zinc/60/01/78/372600178.db2.gz UZLANSZNCSLFQO-MNOVXSKESA-N 2 2 248.330 0.689 20 0 BCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccccn1 ZINC000631823045 372600184 /nfs/dbraw/zinc/60/01/84/372600184.db2.gz UZLANSZNCSLFQO-MNOVXSKESA-N 2 2 248.330 0.689 20 0 BCADLP [NH3+][C@@H]1C[N@H+](C[C@@H]2CCCCO2)CC[C@H]1F ZINC000631829278 372610916 /nfs/dbraw/zinc/61/09/16/372610916.db2.gz MLQORZLVDFDIHC-HBNTYKKESA-N 2 2 216.300 0.927 20 0 BCADLP [NH3+][C@@H]1C[N@@H+](C[C@@H]2CCCCO2)CC[C@H]1F ZINC000631829278 372610922 /nfs/dbraw/zinc/61/09/22/372610922.db2.gz MLQORZLVDFDIHC-HBNTYKKESA-N 2 2 216.300 0.927 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834627 372620655 /nfs/dbraw/zinc/62/06/55/372620655.db2.gz BVSWXYFYXYVXHE-NXEZZACHSA-N 2 2 213.325 0.454 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834627 372620662 /nfs/dbraw/zinc/62/06/62/372620662.db2.gz BVSWXYFYXYVXHE-NXEZZACHSA-N 2 2 213.325 0.454 20 0 BCADLP [NH3+][C@@H]1CCCCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000631835276 372623274 /nfs/dbraw/zinc/62/32/74/372623274.db2.gz QCYWVGFHHCYBEG-GFCCVEGCSA-N 2 2 239.363 0.812 20 0 BCADLP [NH3+][C@@H]1CCCCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000631835276 372623280 /nfs/dbraw/zinc/62/32/80/372623280.db2.gz QCYWVGFHHCYBEG-GFCCVEGCSA-N 2 2 239.363 0.812 20 0 BCADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccccn2)C[C@H]1C[NH3+] ZINC000631837567 372630216 /nfs/dbraw/zinc/63/02/16/372630216.db2.gz UUZYUBAJBDIGTB-GHMZBOCLSA-N 2 2 248.330 0.547 20 0 BCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccccn2)C[C@H]1C[NH3+] ZINC000631837567 372630218 /nfs/dbraw/zinc/63/02/18/372630218.db2.gz UUZYUBAJBDIGTB-GHMZBOCLSA-N 2 2 248.330 0.547 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCOC[C@H]1CCCO1 ZINC000631860708 372660019 /nfs/dbraw/zinc/66/00/19/372660019.db2.gz NPVWAQXQHMSVMT-GRYCIOLGSA-N 2 2 228.336 0.604 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCOC[C@H]1CCCO1 ZINC000631860708 372660025 /nfs/dbraw/zinc/66/00/25/372660025.db2.gz NPVWAQXQHMSVMT-GRYCIOLGSA-N 2 2 228.336 0.604 20 0 BCADLP c1nc2n(n1)[C@H](C[N@@H+]1CC[C@H]3[NH2+]CC[C@@H]3C1)CC2 ZINC000631826742 372605475 /nfs/dbraw/zinc/60/54/75/372605475.db2.gz WGRKIQATHJYKAF-GRYCIOLGSA-N 2 2 247.346 0.449 20 0 BCADLP c1nc2n(n1)[C@H](C[N@H+]1CC[C@H]3[NH2+]CC[C@@H]3C1)CC2 ZINC000631826742 372605477 /nfs/dbraw/zinc/60/54/77/372605477.db2.gz WGRKIQATHJYKAF-GRYCIOLGSA-N 2 2 247.346 0.449 20 0 BCADLP CC(C)N1CCC[C@H]([N@@H+]2C[C@@H]([NH3+])C[C@H]2C)C1=O ZINC000631861315 372661629 /nfs/dbraw/zinc/66/16/29/372661629.db2.gz YZLAMHAIKHAMND-WOPDTQHZSA-N 2 2 239.363 0.807 20 0 BCADLP CC(C)N1CCC[C@H]([N@H+]2C[C@@H]([NH3+])C[C@H]2C)C1=O ZINC000631861315 372661635 /nfs/dbraw/zinc/66/16/35/372661635.db2.gz YZLAMHAIKHAMND-WOPDTQHZSA-N 2 2 239.363 0.807 20 0 BCADLP c1ncn(CC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC000631888826 372682666 /nfs/dbraw/zinc/68/26/66/372682666.db2.gz BPVHSQUEDRFVQQ-NWDGAFQWSA-N 2 2 235.335 0.352 20 0 BCADLP c1ncn(CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC000631888826 372682674 /nfs/dbraw/zinc/68/26/74/372682674.db2.gz BPVHSQUEDRFVQQ-NWDGAFQWSA-N 2 2 235.335 0.352 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887667 372682975 /nfs/dbraw/zinc/68/29/75/372682975.db2.gz SWTHLSMTDMBTML-NEPJUHHUSA-N 2 2 239.363 0.585 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887667 372682978 /nfs/dbraw/zinc/68/29/78/372682978.db2.gz SWTHLSMTDMBTML-NEPJUHHUSA-N 2 2 239.363 0.585 20 0 BCADLP Cn1c[nH+]cc1CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890398 372687136 /nfs/dbraw/zinc/68/71/36/372687136.db2.gz RKYMCIPDZYOTPW-WCQYABFASA-N 2 2 234.347 0.994 20 0 BCADLP O=C(Cc1cn2ccccc2[nH+]1)N1CC[NH2+]CC1 ZINC000071552347 182059504 /nfs/dbraw/zinc/05/95/04/182059504.db2.gz GSGYXHPESNAFNU-UHFFFAOYSA-N 2 2 244.298 0.309 20 0 BCADLP Cc1cc(NC(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc[nH+]1 ZINC000632929357 373225888 /nfs/dbraw/zinc/22/58/88/373225888.db2.gz YAHACOIJRAZQCO-MWLCHTKSSA-N 2 2 248.330 0.870 20 0 BCADLP O=C(NCC[NH+]1CCC1)c1ccc2[nH+]ccn2c1 ZINC000337315871 182184790 /nfs/dbraw/zinc/18/47/90/182184790.db2.gz KBMOGKFKYQTZHV-UHFFFAOYSA-N 2 2 244.298 0.770 20 0 BCADLP O=C(NCCNc1cccc[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC000290067610 182189178 /nfs/dbraw/zinc/18/91/78/182189178.db2.gz VWJGBRNRFWGOCU-LLVKDONJSA-N 2 2 248.330 0.609 20 0 BCADLP O=C(NCCn1cc[nH+]c1)C12CCC[NH+]1CCC2 ZINC000289461561 182214740 /nfs/dbraw/zinc/21/47/40/182214740.db2.gz GXYFYOBUXJTTEH-UHFFFAOYSA-N 2 2 248.330 0.628 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280687901 182273215 /nfs/dbraw/zinc/27/32/15/182273215.db2.gz ATAXSYIGXGOQKZ-SKDRFNHKSA-N 2 2 234.303 0.416 20 0 BCADLP O=C(NCc1cn2c([nH+]1)CCCC2)[C@@H]1CC[NH2+]C1 ZINC000269257683 182268884 /nfs/dbraw/zinc/26/88/84/182268884.db2.gz UIVSKODIFODKCY-SNVBAGLBSA-N 2 2 248.330 0.445 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CC12CC2 ZINC000424379245 206040591 /nfs/dbraw/zinc/04/05/91/206040591.db2.gz VCZMMTYMEZIZDZ-OUAUKWLOSA-N 2 2 210.321 0.896 20 0 BCADLP OCC[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000050104126 183066604 /nfs/dbraw/zinc/06/66/04/183066604.db2.gz VVJXNQSYUYCQAB-UHFFFAOYSA-N 2 2 209.293 0.730 20 0 BCADLP OCC[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000050104126 183066607 /nfs/dbraw/zinc/06/66/07/183066607.db2.gz VVJXNQSYUYCQAB-UHFFFAOYSA-N 2 2 209.293 0.730 20 0 BCADLP OC[C@@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000090282755 183111670 /nfs/dbraw/zinc/11/16/70/183111670.db2.gz HHFWHBHTUAFXIW-ZDUSSCGKSA-N 2 2 247.298 0.315 20 0 BCADLP OC[C@]1(F)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000338594105 183157547 /nfs/dbraw/zinc/15/75/47/183157547.db2.gz NDYWGMPUKOTKIU-NSHDSACASA-N 2 2 227.283 0.680 20 0 BCADLP OC[C@]1(F)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000338594105 183157550 /nfs/dbraw/zinc/15/75/50/183157550.db2.gz NDYWGMPUKOTKIU-NSHDSACASA-N 2 2 227.283 0.680 20 0 BCADLP CCC[N@H+](CC(=O)OC)C1CC[NH2+]CC1 ZINC000037469626 169100253 /nfs/dbraw/zinc/10/02/53/169100253.db2.gz FOFHREXPUNJKNF-UHFFFAOYSA-N 2 2 214.309 0.623 20 0 BCADLP CCC[N@@H+](CC(=O)OC)C1CC[NH2+]CC1 ZINC000037469626 169100254 /nfs/dbraw/zinc/10/02/54/169100254.db2.gz FOFHREXPUNJKNF-UHFFFAOYSA-N 2 2 214.309 0.623 20 0 BCADLP O[C@H](C[NH2+]Cc1ccco1)C[NH+]1CCCC1 ZINC000037859650 183223882 /nfs/dbraw/zinc/22/38/82/183223882.db2.gz RRCMPFGAYFZBJZ-LLVKDONJSA-N 2 2 224.304 0.826 20 0 BCADLP O[C@H]1CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000339778856 183233467 /nfs/dbraw/zinc/23/34/67/183233467.db2.gz QMKLWXOJDQPFQV-NSHDSACASA-N 2 2 209.293 0.730 20 0 BCADLP O[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000339778856 183233468 /nfs/dbraw/zinc/23/34/68/183233468.db2.gz QMKLWXOJDQPFQV-NSHDSACASA-N 2 2 209.293 0.730 20 0 BCADLP CCCN(CC[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000071332055 169159496 /nfs/dbraw/zinc/15/94/96/169159496.db2.gz WJCKZKFIBPMTFY-CYBMUJFWSA-N 2 2 241.379 0.393 20 0 BCADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCn3cncn3)C2)[nH]1 ZINC000267414262 183326622 /nfs/dbraw/zinc/32/66/22/183326622.db2.gz IWGQPCPKABPNSW-LLVKDONJSA-N 2 2 246.318 0.881 20 0 BCADLP CCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336648548 169203105 /nfs/dbraw/zinc/20/31/05/169203105.db2.gz OZFJNDTWKJDRCY-UHFFFAOYSA-N 2 2 208.309 0.937 20 0 BCADLP c1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)on1 ZINC000308937617 183346266 /nfs/dbraw/zinc/34/62/66/183346266.db2.gz DCNMOECANHNFKV-LLVKDONJSA-N 2 2 207.277 0.860 20 0 BCADLP c1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)on1 ZINC000308937617 183346267 /nfs/dbraw/zinc/34/62/67/183346267.db2.gz DCNMOECANHNFKV-LLVKDONJSA-N 2 2 207.277 0.860 20 0 BCADLP CCCNC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000124274875 169218549 /nfs/dbraw/zinc/21/85/49/169218549.db2.gz UFIIHCGDUGEWIY-UHFFFAOYSA-N 2 2 238.335 0.731 20 0 BCADLP CCCNC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124274875 169218550 /nfs/dbraw/zinc/21/85/50/169218550.db2.gz UFIIHCGDUGEWIY-UHFFFAOYSA-N 2 2 238.335 0.731 20 0 BCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221297998 169241309 /nfs/dbraw/zinc/24/13/09/169241309.db2.gz BMJHURHQBBDPRX-MNOVXSKESA-N 2 2 227.352 0.442 20 0 BCADLP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221297998 169241310 /nfs/dbraw/zinc/24/13/10/169241310.db2.gz BMJHURHQBBDPRX-MNOVXSKESA-N 2 2 227.352 0.442 20 0 BCADLP CCC[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000354524218 169343892 /nfs/dbraw/zinc/34/38/92/169343892.db2.gz WUVMGYXCJVTUPW-NEPJUHHUSA-N 2 2 241.379 0.879 20 0 BCADLP CCC[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000354524218 169343893 /nfs/dbraw/zinc/34/38/93/169343893.db2.gz WUVMGYXCJVTUPW-NEPJUHHUSA-N 2 2 241.379 0.879 20 0 BCADLP CCC[C@@H]([NH3+])C(=O)N1CC[NH+](CC)CC1 ZINC000000252398 169388230 /nfs/dbraw/zinc/38/82/30/169388230.db2.gz JXYIWWCXGKFVQP-SNVBAGLBSA-N 2 2 213.325 0.278 20 0 BCADLP CCC[C@@H]([NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000236952250 169389059 /nfs/dbraw/zinc/38/90/59/169389059.db2.gz OHNLHASXLILODF-GHMZBOCLSA-N 2 2 238.335 0.763 20 0 BCADLP CCC[C@@H]([NH3+])C(=O)NCc1[nH]c[nH+]c1C ZINC000269267296 169390726 /nfs/dbraw/zinc/39/07/26/169390726.db2.gz QFAGZZNBOUUCDF-MRVPVSSYSA-N 2 2 210.281 0.462 20 0 BCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221298741 134322829 /nfs/dbraw/zinc/32/28/29/134322829.db2.gz FBOJFJNDTFMDOD-NEPJUHHUSA-N 2 2 241.379 0.833 20 0 BCADLP CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221298741 134322830 /nfs/dbraw/zinc/32/28/30/134322830.db2.gz FBOJFJNDTFMDOD-NEPJUHHUSA-N 2 2 241.379 0.833 20 0 BCADLP CO[C@@H](C[NH2+]C[C@@H]1C[N@H+](C)CCN1C)C1CC1 ZINC000400179397 383824288 /nfs/dbraw/zinc/82/42/88/383824288.db2.gz QPGNISLIZZNAGB-OLZOCXBDSA-N 2 2 241.379 0.247 20 0 BCADLP CO[C@@H](C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC000400179397 383824296 /nfs/dbraw/zinc/82/42/96/383824296.db2.gz QPGNISLIZZNAGB-OLZOCXBDSA-N 2 2 241.379 0.247 20 0 BCADLP CC(C)[C@H]([NH3+])C(=O)N(C)Cc1[nH+]ccn1C ZINC000037822973 383864881 /nfs/dbraw/zinc/86/48/81/383864881.db2.gz IJIXQRIMVSDFTL-JTQLQIEISA-N 2 2 224.308 0.362 20 0 BCADLP Cn1ccc(C[NH2+]CCC[NH+]2CCCC2)n1 ZINC000112339450 383916126 /nfs/dbraw/zinc/91/61/26/383916126.db2.gz PRCIJALHBVXLMF-UHFFFAOYSA-N 2 2 222.336 0.996 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCCc1c[nH+]cn1C ZINC000315044125 383924301 /nfs/dbraw/zinc/92/43/01/383924301.db2.gz XWFREJXTRLVAHX-MNOVXSKESA-N 3 2 222.336 0.774 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCCc1c[nH+]cn1C ZINC000315044125 383924306 /nfs/dbraw/zinc/92/43/06/383924306.db2.gz XWFREJXTRLVAHX-MNOVXSKESA-N 3 2 222.336 0.774 20 0 BCADLP CC(C)[C@@H]([NH3+])C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000036999354 383927918 /nfs/dbraw/zinc/92/79/18/383927918.db2.gz IGUUPQDLYKNQCR-NXEZZACHSA-N 2 2 224.308 0.371 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)CO1 ZINC000647214232 383979006 /nfs/dbraw/zinc/97/90/06/383979006.db2.gz SXDJDFYMQLLRIL-JHJVBQTASA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)CO1 ZINC000647214232 383979011 /nfs/dbraw/zinc/97/90/11/383979011.db2.gz SXDJDFYMQLLRIL-JHJVBQTASA-N 2 2 242.363 0.600 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089462351 383968909 /nfs/dbraw/zinc/96/89/09/383968909.db2.gz VVBZLBZCMRHWTB-NXEZZACHSA-N 2 2 236.319 0.411 20 0 BCADLP C[N@H+](CC[NH3+])Cc1ccc2c(c1)OCO2 ZINC000049814239 384045404 /nfs/dbraw/zinc/04/54/04/384045404.db2.gz NDUWQCILQWNLNV-UHFFFAOYSA-N 2 2 208.261 0.806 20 0 BCADLP C[N@@H+](CC[NH3+])Cc1ccc2c(c1)OCO2 ZINC000049814239 384045412 /nfs/dbraw/zinc/04/54/12/384045412.db2.gz NDUWQCILQWNLNV-UHFFFAOYSA-N 2 2 208.261 0.806 20 0 BCADLP C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000309652733 384058172 /nfs/dbraw/zinc/05/81/72/384058172.db2.gz UFEHCCWATXODFT-LLVKDONJSA-N 3 2 211.353 0.670 20 0 BCADLP C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000309652733 384058177 /nfs/dbraw/zinc/05/81/77/384058177.db2.gz UFEHCCWATXODFT-LLVKDONJSA-N 3 2 211.353 0.670 20 0 BCADLP C[NH+](C)C1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000336553037 384114465 /nfs/dbraw/zinc/11/44/65/384114465.db2.gz NCMBEHZNYKKLMH-LLVKDONJSA-N 2 2 225.336 0.291 20 0 BCADLP [NH3+][C@H]1CCC[C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000070577751 384122651 /nfs/dbraw/zinc/12/26/51/384122651.db2.gz NIOABXZROXNSIW-MNOVXSKESA-N 2 2 236.319 0.517 20 0 BCADLP COC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609260048 384127933 /nfs/dbraw/zinc/12/79/33/384127933.db2.gz FKIYJDVLQQXMLC-JTQLQIEISA-N 2 2 223.276 0.693 20 0 BCADLP COC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609260048 384127940 /nfs/dbraw/zinc/12/79/40/384127940.db2.gz FKIYJDVLQQXMLC-JTQLQIEISA-N 2 2 223.276 0.693 20 0 BCADLP COCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449391248 384154999 /nfs/dbraw/zinc/15/49/99/384154999.db2.gz XSPOOWMDTCZVOV-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP COCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449391248 384155006 /nfs/dbraw/zinc/15/50/06/384155006.db2.gz XSPOOWMDTCZVOV-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP COCC[C@H](C)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449397392 384173294 /nfs/dbraw/zinc/17/32/94/384173294.db2.gz PZWSMQVWLQVYJP-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP COCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449397392 384173298 /nfs/dbraw/zinc/17/32/98/384173298.db2.gz PZWSMQVWLQVYJP-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP Cn1cc[nH+]c1CNC1(C[NH+](C)C)CCC1 ZINC000282298160 384218838 /nfs/dbraw/zinc/21/88/38/384218838.db2.gz RPVCFQAPCPWAMD-UHFFFAOYSA-N 2 2 222.336 0.994 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2nccn2C)C1 ZINC000069626948 384246053 /nfs/dbraw/zinc/24/60/53/384246053.db2.gz RPRVBDYYJDTGMO-GHMZBOCLSA-N 2 2 222.336 0.979 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2nccn2C)C1 ZINC000069626948 384246058 /nfs/dbraw/zinc/24/60/58/384246058.db2.gz RPRVBDYYJDTGMO-GHMZBOCLSA-N 2 2 222.336 0.979 20 0 BCADLP CC[C@]1(C(=O)Nc2ccc(N)[nH+]c2)CC[NH2+]C1 ZINC000119225314 384248247 /nfs/dbraw/zinc/24/82/47/384248247.db2.gz YGKYEWBJMRDZFZ-LBPRGKRZSA-N 2 2 234.303 0.992 20 0 BCADLP CC[C@](C)(C[NH2+]C[C@H]1C[N@H+](C)CCN1C)OC ZINC000319536957 384252615 /nfs/dbraw/zinc/25/26/15/384252615.db2.gz BVLYMUHRFCJFOA-QWHCGFSZSA-N 2 2 243.395 0.637 20 0 BCADLP CC[C@](C)(C[NH2+]C[C@H]1C[N@@H+](C)CCN1C)OC ZINC000319536957 384252616 /nfs/dbraw/zinc/25/26/16/384252616.db2.gz BVLYMUHRFCJFOA-QWHCGFSZSA-N 2 2 243.395 0.637 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)C1CC1 ZINC000082668971 384255359 /nfs/dbraw/zinc/25/53/59/384255359.db2.gz YUDUIEAZTXXOCT-CMPLNLGQSA-N 2 2 211.353 0.620 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC000082668971 384255367 /nfs/dbraw/zinc/25/53/67/384255367.db2.gz YUDUIEAZTXXOCT-CMPLNLGQSA-N 2 2 211.353 0.620 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CCCCNC1=O)[C@@H]1CCC[NH2+]1 ZINC000333258124 384259974 /nfs/dbraw/zinc/25/99/74/384259974.db2.gz IJAROIIXPXHEOG-OUAUKWLOSA-N 2 2 225.336 0.385 20 0 BCADLP CC[C@@H](CO)[NH+]1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000093740003 384265899 /nfs/dbraw/zinc/26/58/99/384265899.db2.gz KOUHIMOHLVBJNK-LBPRGKRZSA-N 2 2 238.335 0.298 20 0 BCADLP CC[C@@H](CO)[NH+]1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000093740003 384265905 /nfs/dbraw/zinc/26/59/05/384265905.db2.gz KOUHIMOHLVBJNK-LBPRGKRZSA-N 2 2 238.335 0.298 20 0 BCADLP C[C@@H](C[NH+]1CCOCC1)N1CCC([NH3+])CC1 ZINC000564988116 384322270 /nfs/dbraw/zinc/32/22/70/384322270.db2.gz KIOPSVBZSMOYDR-NSHDSACASA-N 2 2 227.352 0.130 20 0 BCADLP COCC(C)(C)C[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647507514 384310642 /nfs/dbraw/zinc/31/06/42/384310642.db2.gz RFFQLRXIEDJQFH-QWRGUYRKSA-N 2 2 230.352 0.707 20 0 BCADLP COCC(C)(C)C[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647507514 384310649 /nfs/dbraw/zinc/31/06/49/384310649.db2.gz RFFQLRXIEDJQFH-QWRGUYRKSA-N 2 2 230.352 0.707 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000174222861 384310951 /nfs/dbraw/zinc/31/09/51/384310951.db2.gz JCTQSQGBZIRRDF-LBPRGKRZSA-N 2 2 241.379 0.786 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000174222861 384310961 /nfs/dbraw/zinc/31/09/61/384310961.db2.gz JCTQSQGBZIRRDF-LBPRGKRZSA-N 2 2 241.379 0.786 20 0 BCADLP CC[N@H+](C)CCN[C@@H]1CCn2cc[nH+]c21 ZINC000294181696 384282093 /nfs/dbraw/zinc/28/20/93/384282093.db2.gz RXRZOAMYCPZFCY-SNVBAGLBSA-N 2 2 208.309 0.869 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)CCOCCO ZINC000119743435 384299997 /nfs/dbraw/zinc/29/99/97/384299997.db2.gz SGZDINWQLRSNKZ-UHFFFAOYSA-N 2 2 227.308 0.214 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)CCOCCO ZINC000119743435 384300002 /nfs/dbraw/zinc/30/00/02/384300002.db2.gz SGZDINWQLRSNKZ-UHFFFAOYSA-N 2 2 227.308 0.214 20 0 BCADLP Cc1nc(NCC[N@@H+](C)C(C)C)nc(N)[nH+]1 ZINC000304424553 384300101 /nfs/dbraw/zinc/30/01/01/384300101.db2.gz FADNBUYFBUYFPU-UHFFFAOYSA-N 2 2 224.312 0.514 20 0 BCADLP Cc1nc(NCC[N@H+](C)C(C)C)nc(N)[nH+]1 ZINC000304424553 384300106 /nfs/dbraw/zinc/30/01/06/384300106.db2.gz FADNBUYFBUYFPU-UHFFFAOYSA-N 2 2 224.312 0.514 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]C(C)(C)CO)n1C ZINC000069717984 384300770 /nfs/dbraw/zinc/30/07/70/384300770.db2.gz DJHJCZUGGXNNSQ-UHFFFAOYSA-N 2 2 226.324 0.347 20 0 BCADLP C[C@@]1(C[N@@H+]2CCC[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000335603759 384374947 /nfs/dbraw/zinc/37/49/47/384374947.db2.gz USIVHMHXAXOQEG-VXGBXAGGSA-N 3 2 211.353 0.657 20 0 BCADLP C[C@@]1(C[N@H+]2CCC[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000335603759 384374960 /nfs/dbraw/zinc/37/49/60/384374960.db2.gz USIVHMHXAXOQEG-VXGBXAGGSA-N 3 2 211.353 0.657 20 0 BCADLP Cn1nncc1C[NH2+]CCC[NH+]1CCC1 ZINC000521369955 384424668 /nfs/dbraw/zinc/42/46/68/384424668.db2.gz JCNBVIJKDMMAFZ-UHFFFAOYSA-N 2 2 209.297 0.001 20 0 BCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCCC1 ZINC000334178364 384375647 /nfs/dbraw/zinc/37/56/47/384375647.db2.gz AJRPQDDYFVKTQP-NEPJUHHUSA-N 2 2 237.347 0.150 20 0 BCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCCC1 ZINC000334178364 384375659 /nfs/dbraw/zinc/37/56/59/384375659.db2.gz AJRPQDDYFVKTQP-NEPJUHHUSA-N 2 2 237.347 0.150 20 0 BCADLP Cn1c[nH+]cc1CC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405481088 384379129 /nfs/dbraw/zinc/37/91/29/384379129.db2.gz NBVUVACIIJHTDN-MNOVXSKESA-N 3 2 222.336 0.678 20 0 BCADLP [NH3+][C@H]1CC[C@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000097092910 384496825 /nfs/dbraw/zinc/49/68/25/384496825.db2.gz VHBAGPUWGCMCNM-QWRGUYRKSA-N 2 2 236.319 0.517 20 0 BCADLP CC[C@](C)(C[NH2+]CC[N@H+](C)CCOC)OC ZINC000319827970 384498243 /nfs/dbraw/zinc/49/82/43/384498243.db2.gz IUOIZNYQTBWWGZ-GFCCVEGCSA-N 2 2 232.368 0.969 20 0 BCADLP CC[C@](C)(C[NH2+]CC[N@@H+](C)CCOC)OC ZINC000319827970 384498249 /nfs/dbraw/zinc/49/82/49/384498249.db2.gz IUOIZNYQTBWWGZ-GFCCVEGCSA-N 2 2 232.368 0.969 20 0 BCADLP C[NH+](C)C(C)(C)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000561109316 384502738 /nfs/dbraw/zinc/50/27/38/384502738.db2.gz IJRNVCWZMOFYIX-UHFFFAOYSA-N 2 2 241.379 0.785 20 0 BCADLP [NH3+]C[C@H]1CN(Cc2c[nH+]c3ccccn23)CCO1 ZINC000647518799 384508911 /nfs/dbraw/zinc/50/89/11/384508911.db2.gz JJJXLMWHKSFLRJ-LBPRGKRZSA-N 2 2 246.314 0.494 20 0 BCADLP CC[C@H](C)[N@H+](C)CCNc1nc(C)[nH+]c(N)n1 ZINC000302643079 384488958 /nfs/dbraw/zinc/48/89/58/384488958.db2.gz UEJZHRDOVZXJGM-QMMMGPOBSA-N 2 2 238.339 0.904 20 0 BCADLP CC[C@H](C)[N@@H+](C)CCNc1nc(C)[nH+]c(N)n1 ZINC000302643079 384488963 /nfs/dbraw/zinc/48/89/63/384488963.db2.gz UEJZHRDOVZXJGM-QMMMGPOBSA-N 2 2 238.339 0.904 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000161854212 384534278 /nfs/dbraw/zinc/53/42/78/384534278.db2.gz ISZYSOWMFFIVMH-GFCCVEGCSA-N 3 2 222.336 0.767 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000161854212 384534285 /nfs/dbraw/zinc/53/42/85/384534285.db2.gz ISZYSOWMFFIVMH-GFCCVEGCSA-N 3 2 222.336 0.767 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)[C@H](C)O ZINC000647529332 384605104 /nfs/dbraw/zinc/60/51/04/384605104.db2.gz FTSRLHFPPNLSAP-GRYCIOLGSA-N 2 2 230.352 0.192 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)[C@H](C)O ZINC000647529332 384605109 /nfs/dbraw/zinc/60/51/09/384605109.db2.gz FTSRLHFPPNLSAP-GRYCIOLGSA-N 2 2 230.352 0.192 20 0 BCADLP CC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000647529320 384605164 /nfs/dbraw/zinc/60/51/64/384605164.db2.gz AZFDWICZIJANBT-VXGBXAGGSA-N 2 2 230.352 0.194 20 0 BCADLP CC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000647529320 384605167 /nfs/dbraw/zinc/60/51/67/384605167.db2.gz AZFDWICZIJANBT-VXGBXAGGSA-N 2 2 230.352 0.194 20 0 BCADLP CC(C)[C@@H](CO)[NH2+]CCCn1cc[nH+]c1 ZINC000086124014 384605398 /nfs/dbraw/zinc/60/53/98/384605398.db2.gz AYTLKANNIXBGMV-LLVKDONJSA-N 2 2 211.309 0.880 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]Cc1cccc(O)c1 ZINC000184547730 384619654 /nfs/dbraw/zinc/61/96/54/384619654.db2.gz FRBXJBOMGNISOU-UHFFFAOYSA-N 2 2 238.331 0.796 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]Cc1cccc(O)c1 ZINC000184547730 384619660 /nfs/dbraw/zinc/61/96/60/384619660.db2.gz FRBXJBOMGNISOU-UHFFFAOYSA-N 2 2 238.331 0.796 20 0 BCADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCOC1)CC2 ZINC000336747137 384620169 /nfs/dbraw/zinc/62/01/69/384620169.db2.gz CDPGHQPGUZPFLN-VHSXEESVSA-N 2 2 207.277 0.576 20 0 BCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccco1 ZINC000037890659 384626711 /nfs/dbraw/zinc/62/67/11/384626711.db2.gz RUCBMYHIAGWWLV-VHSXEESVSA-N 2 2 212.293 0.853 20 0 BCADLP CC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000172821295 384629095 /nfs/dbraw/zinc/62/90/95/384629095.db2.gz PELIRXSMIYLGHO-UHFFFAOYSA-N 2 2 206.293 0.927 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@H]([NH3+])CC(F)F ZINC000336653247 384631974 /nfs/dbraw/zinc/63/19/74/384631974.db2.gz JCIUUTFVJBWTQS-SSDOTTSWSA-N 2 2 229.230 0.733 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cnc(N(C)C)nc1 ZINC000517956406 384596475 /nfs/dbraw/zinc/59/64/75/384596475.db2.gz PWJSDSDXWZNBRS-CMPLNLGQSA-N 2 2 249.362 0.854 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cnc(N(C)C)nc1 ZINC000517956406 384596484 /nfs/dbraw/zinc/59/64/84/384596484.db2.gz PWJSDSDXWZNBRS-CMPLNLGQSA-N 2 2 249.362 0.854 20 0 BCADLP CCNC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638273 384670868 /nfs/dbraw/zinc/67/08/68/384670868.db2.gz SIOYEOSOZGEWHE-UHFFFAOYSA-N 2 2 201.314 0.039 20 0 BCADLP CCNC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638273 384670873 /nfs/dbraw/zinc/67/08/73/384670873.db2.gz SIOYEOSOZGEWHE-UHFFFAOYSA-N 2 2 201.314 0.039 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647532786 384639043 /nfs/dbraw/zinc/63/90/43/384639043.db2.gz DGPLWJLBTDQAHT-QWRGUYRKSA-N 2 2 220.320 0.604 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647534421 384646062 /nfs/dbraw/zinc/64/60/62/384646062.db2.gz NICGXMVXYMUGEJ-PWSUYJOCSA-N 2 2 220.320 0.604 20 0 BCADLP CC(C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000158260022 384651558 /nfs/dbraw/zinc/65/15/58/384651558.db2.gz YENGLMRLDIUAOG-SRVKXCTJSA-N 2 2 241.379 0.972 20 0 BCADLP CC(C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000158260022 384651562 /nfs/dbraw/zinc/65/15/62/384651562.db2.gz YENGLMRLDIUAOG-SRVKXCTJSA-N 2 2 241.379 0.972 20 0 BCADLP C[C@@H]([NH3+])C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000082255878 384653590 /nfs/dbraw/zinc/65/35/90/384653590.db2.gz UAEQNJVTOVIREE-ZCFIWIBFSA-N 2 2 240.332 0.417 20 0 BCADLP C[C@@H]([NH3+])C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000082255878 384653595 /nfs/dbraw/zinc/65/35/95/384653595.db2.gz UAEQNJVTOVIREE-ZCFIWIBFSA-N 2 2 240.332 0.417 20 0 BCADLP C[N@H+](C[C@]1(C)CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000309492035 384654476 /nfs/dbraw/zinc/65/44/76/384654476.db2.gz IVKTVLWWZARPKI-GFCCVEGCSA-N 3 2 211.353 0.670 20 0 BCADLP C[N@@H+](C[C@]1(C)CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000309492035 384654482 /nfs/dbraw/zinc/65/44/82/384654482.db2.gz IVKTVLWWZARPKI-GFCCVEGCSA-N 3 2 211.353 0.670 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866294 384712519 /nfs/dbraw/zinc/71/25/19/384712519.db2.gz YDAFJGHUTLTTHT-IUCAKERBSA-N 2 2 222.292 0.083 20 0 BCADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866294 384712520 /nfs/dbraw/zinc/71/25/20/384712520.db2.gz YDAFJGHUTLTTHT-IUCAKERBSA-N 2 2 222.292 0.083 20 0 BCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000163232584 384775063 /nfs/dbraw/zinc/77/50/63/384775063.db2.gz TYRFRKZFKVYPGB-IUCAKERBSA-N 2 2 236.323 0.177 20 0 BCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000163232584 384775071 /nfs/dbraw/zinc/77/50/71/384775071.db2.gz TYRFRKZFKVYPGB-IUCAKERBSA-N 2 2 236.323 0.177 20 0 BCADLP CCn1cc[nH+]c1CNCC[N@H+](C)CC ZINC000054110527 384729152 /nfs/dbraw/zinc/72/91/52/384729152.db2.gz BYHWKIRDDAWDHA-UHFFFAOYSA-N 2 2 210.325 0.944 20 0 BCADLP CCn1cc[nH+]c1CNCC[N@@H+](C)CC ZINC000054110527 384729159 /nfs/dbraw/zinc/72/91/59/384729159.db2.gz BYHWKIRDDAWDHA-UHFFFAOYSA-N 2 2 210.325 0.944 20 0 BCADLP [NH3+]CC(F)(F)CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647546936 384733020 /nfs/dbraw/zinc/73/30/20/384733020.db2.gz HSYGLADDCXFRBI-OPRDCNLKSA-N 2 2 233.306 0.558 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000647546818 384734202 /nfs/dbraw/zinc/73/42/02/384734202.db2.gz CQCLIEKUQGEONU-YFKTTZPYSA-N 3 2 211.353 0.572 20 0 BCADLP CC(C)N1CC[C@@H]([NH2+][C@H]2C[NH2+]C[C@@H](C)C2)C1=O ZINC000647549794 384747762 /nfs/dbraw/zinc/74/77/62/384747762.db2.gz RABVJVMFTKLZOL-QJPTWQEYSA-N 2 2 239.363 0.583 20 0 BCADLP COCC[C@H](COC)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000309969590 384748344 /nfs/dbraw/zinc/74/83/44/384748344.db2.gz OTOLGKZMRSXSTK-IJLUTSLNSA-N 2 2 230.352 0.578 20 0 BCADLP COCC[C@H](COC)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000309969590 384748348 /nfs/dbraw/zinc/74/83/48/384748348.db2.gz OTOLGKZMRSXSTK-IJLUTSLNSA-N 2 2 230.352 0.578 20 0 BCADLP CC(C)([NH3+])C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000647548019 384751763 /nfs/dbraw/zinc/75/17/63/384751763.db2.gz RIHFVFKMKVZUPT-JTQLQIEISA-N 3 2 211.353 0.988 20 0 BCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647550985 384766201 /nfs/dbraw/zinc/76/62/01/384766201.db2.gz RKOUNYNKHVINDZ-GARJFASQSA-N 2 2 248.392 0.397 20 0 BCADLP Cc1ccc2[nH+]c(CNC(=O)C(C)(C)[NH3+])cn2c1 ZINC000083909204 384815484 /nfs/dbraw/zinc/81/54/84/384815484.db2.gz OQKFUKPSDLGHPS-UHFFFAOYSA-N 2 2 246.314 0.996 20 0 BCADLP CC[C@@H](C(N)=O)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000361936425 384828247 /nfs/dbraw/zinc/82/82/47/384828247.db2.gz FAVLSDYZIAHTAQ-LBPRGKRZSA-N 2 2 239.363 0.811 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1cnc(C)s1 ZINC000518199582 384792088 /nfs/dbraw/zinc/79/20/88/384792088.db2.gz BIIBUJPVELKPHR-LLVKDONJSA-N 2 2 243.376 0.854 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1cnc(C)s1 ZINC000518199582 384792092 /nfs/dbraw/zinc/79/20/92/384792092.db2.gz BIIBUJPVELKPHR-LLVKDONJSA-N 2 2 243.376 0.854 20 0 BCADLP Cc1ccc2[nH+]c(CNC(=O)CC[NH3+])cn2c1 ZINC000083909206 384815375 /nfs/dbraw/zinc/81/53/75/384815375.db2.gz QJVKLKWPLGBBPK-UHFFFAOYSA-N 2 2 232.287 0.608 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]C[C@H]1C[C@@H]1C ZINC000308626049 384876583 /nfs/dbraw/zinc/87/65/83/384876583.db2.gz WINFHVFBQNTGQD-WDEREUQCSA-N 2 2 200.326 0.546 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]C[C@H]1C[C@@H]1C ZINC000308626049 384876588 /nfs/dbraw/zinc/87/65/88/384876588.db2.gz WINFHVFBQNTGQD-WDEREUQCSA-N 2 2 200.326 0.546 20 0 BCADLP CC(C)(C)[C@H](CO)[NH2+]CCn1cc[nH+]c1 ZINC000278932621 384877923 /nfs/dbraw/zinc/87/79/23/384877923.db2.gz XKEKOJMRNWANKD-JTQLQIEISA-N 2 2 211.309 0.880 20 0 BCADLP CC(C)=CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000557204696 384879668 /nfs/dbraw/zinc/87/96/68/384879668.db2.gz CUUFPDBITMAMSJ-NSHDSACASA-N 2 2 240.351 0.237 20 0 BCADLP CN(CC[N@@H+](C)C1CC1)Cc1[nH+]ccn1C ZINC000186776292 384880617 /nfs/dbraw/zinc/88/06/17/384880617.db2.gz PFJKEBJFHJQISM-UHFFFAOYSA-N 2 2 222.336 0.946 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000308632742 384882965 /nfs/dbraw/zinc/88/29/65/384882965.db2.gz ZRXJNVNRCQVMJG-LMLFDSFASA-N 2 2 200.326 0.950 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000308632742 384882973 /nfs/dbraw/zinc/88/29/73/384882973.db2.gz ZRXJNVNRCQVMJG-LMLFDSFASA-N 2 2 200.326 0.950 20 0 BCADLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423379339 384848434 /nfs/dbraw/zinc/84/84/34/384848434.db2.gz XEXITHFQPPIKLN-YFKTTZPYSA-N 3 2 211.353 0.986 20 0 BCADLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423379332 384848444 /nfs/dbraw/zinc/84/84/44/384848444.db2.gz XEXITHFQPPIKLN-BJDJZHNGSA-N 3 2 211.353 0.986 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCO)C1 ZINC000536465258 384856111 /nfs/dbraw/zinc/85/61/11/384856111.db2.gz YSPPRDIICMHXBD-JTQLQIEISA-N 2 2 209.293 0.592 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCCO)C1 ZINC000536465258 384856113 /nfs/dbraw/zinc/85/61/13/384856113.db2.gz YSPPRDIICMHXBD-JTQLQIEISA-N 2 2 209.293 0.592 20 0 BCADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccn(C)n1 ZINC000112344431 384857745 /nfs/dbraw/zinc/85/77/45/384857745.db2.gz QNXWKAHLUVTVLE-SNVBAGLBSA-N 2 2 210.325 0.850 20 0 BCADLP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000084311245 384858405 /nfs/dbraw/zinc/85/84/05/384858405.db2.gz VHZXENLFCLGPAK-RKDXNWHRSA-N 2 2 222.292 0.401 20 0 BCADLP CCOC(=O)N(C)C1CC[NH+](CC[NH3+])CC1 ZINC000497204242 384868042 /nfs/dbraw/zinc/86/80/42/384868042.db2.gz WFYJZLHHYGBXFY-UHFFFAOYSA-N 2 2 229.324 0.498 20 0 BCADLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000644547753 384949548 /nfs/dbraw/zinc/94/95/48/384949548.db2.gz OQWBFYXSOSNDAY-BDAKNGLRSA-N 2 2 240.269 0.984 20 0 BCADLP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000644547753 384949558 /nfs/dbraw/zinc/94/95/58/384949558.db2.gz OQWBFYXSOSNDAY-BDAKNGLRSA-N 2 2 240.269 0.984 20 0 BCADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000644547755 384950902 /nfs/dbraw/zinc/95/09/02/384950902.db2.gz OQWBFYXSOSNDAY-IUCAKERBSA-N 2 2 240.269 0.984 20 0 BCADLP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000644547755 384950908 /nfs/dbraw/zinc/95/09/08/384950908.db2.gz OQWBFYXSOSNDAY-IUCAKERBSA-N 2 2 240.269 0.984 20 0 BCADLP CC(C)COC[C@H](O)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000644548162 384951685 /nfs/dbraw/zinc/95/16/85/384951685.db2.gz RIEDWDSICRVIKB-CHWSQXEVSA-N 2 2 244.379 0.704 20 0 BCADLP CC(C)COC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000644548162 384951691 /nfs/dbraw/zinc/95/16/91/384951691.db2.gz RIEDWDSICRVIKB-CHWSQXEVSA-N 2 2 244.379 0.704 20 0 BCADLP CN1CCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000644548012 384952107 /nfs/dbraw/zinc/95/21/07/384952107.db2.gz KIQWOZGGVRVEMF-WCQYABFASA-N 2 2 241.379 0.125 20 0 BCADLP CN1CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000644548012 384952113 /nfs/dbraw/zinc/95/21/13/384952113.db2.gz KIQWOZGGVRVEMF-WCQYABFASA-N 2 2 241.379 0.125 20 0 BCADLP CN1CC[NH2+]C[C@@H]1CNc1cccc[nH+]1 ZINC000259020578 384954740 /nfs/dbraw/zinc/95/47/40/384954740.db2.gz YLFIKUGXUGASND-SNVBAGLBSA-N 2 2 206.293 0.397 20 0 BCADLP CCOC(=O)N1CCC[N@H+](CCC[NH2+]C)CC1 ZINC000497226190 384891302 /nfs/dbraw/zinc/89/13/02/384891302.db2.gz JKTITDYLHLJPQX-UHFFFAOYSA-N 2 2 243.351 0.760 20 0 BCADLP CCOC(=O)N1CCC[N@@H+](CCC[NH2+]C)CC1 ZINC000497226190 384891308 /nfs/dbraw/zinc/89/13/08/384891308.db2.gz JKTITDYLHLJPQX-UHFFFAOYSA-N 2 2 243.351 0.760 20 0 BCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648164430 384904770 /nfs/dbraw/zinc/90/47/70/384904770.db2.gz SGWGXIGCURMNMS-GDNZZTSVSA-N 2 2 248.330 0.197 20 0 BCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000648164450 384905929 /nfs/dbraw/zinc/90/59/29/384905929.db2.gz YDDDHKKYTWKRDI-PHIMTYICSA-N 2 2 236.319 0.469 20 0 BCADLP C[C@](C[NH3+])(NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000148894032 384910226 /nfs/dbraw/zinc/91/02/26/384910226.db2.gz UTFIHEVCXIMJAM-GFCCVEGCSA-N 2 2 236.319 0.517 20 0 BCADLP C[C@@](C[NH3+])(NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000148894260 384911847 /nfs/dbraw/zinc/91/18/47/384911847.db2.gz UTFIHEVCXIMJAM-LBPRGKRZSA-N 2 2 236.319 0.517 20 0 BCADLP CCCCNC(=O)[C@H](C)[NH+]1CCC([NH3+])CC1 ZINC000034939782 384929762 /nfs/dbraw/zinc/92/97/62/384929762.db2.gz ZZYQTDJESYWEPT-JTQLQIEISA-N 2 2 227.352 0.714 20 0 BCADLP C[C@@H](CS(C)(=O)=O)[NH2+]CCCn1cc[nH+]c1 ZINC000081899266 384942046 /nfs/dbraw/zinc/94/20/46/384942046.db2.gz WKCYIMMMOBINPU-JTQLQIEISA-N 2 2 245.348 0.296 20 0 BCADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)COC ZINC000644569317 384966403 /nfs/dbraw/zinc/96/64/03/384966403.db2.gz HJMXIQYMCJSONZ-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP Cc1cc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)[nH]n1 ZINC000644565548 384972038 /nfs/dbraw/zinc/97/20/38/384972038.db2.gz ZYHGVGLZNKBYQH-LBPRGKRZSA-N 2 2 238.335 0.263 20 0 BCADLP Cc1cc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)[nH]n1 ZINC000644565548 384972045 /nfs/dbraw/zinc/97/20/45/384972045.db2.gz ZYHGVGLZNKBYQH-LBPRGKRZSA-N 2 2 238.335 0.263 20 0 BCADLP Cc1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)sn1 ZINC000404456095 385001263 /nfs/dbraw/zinc/00/12/63/385001263.db2.gz PMGALSFOPCCKDF-LLVKDONJSA-N 2 2 243.376 0.854 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261562080 385016753 /nfs/dbraw/zinc/01/67/53/385016753.db2.gz VZOGLXZCBIZLCR-SNVBAGLBSA-N 2 2 236.319 0.569 20 0 BCADLP CN(CC[NH+](C)C)C(=O)NCCn1cc[nH+]c1 ZINC000176364809 385071306 /nfs/dbraw/zinc/07/13/06/385071306.db2.gz CGFJNKBHKBIFKE-UHFFFAOYSA-N 2 2 239.323 0.086 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000646933980 385075800 /nfs/dbraw/zinc/07/58/00/385075800.db2.gz LWEGLRBADLXNCY-PWSUYJOCSA-N 2 2 248.330 0.423 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000646933980 385075805 /nfs/dbraw/zinc/07/58/05/385075805.db2.gz LWEGLRBADLXNCY-PWSUYJOCSA-N 2 2 248.330 0.423 20 0 BCADLP C[C@@H](C(=O)NCc1[nH+]ccn1C)[NH+]1CC(C)C1 ZINC000557594372 385031884 /nfs/dbraw/zinc/03/18/84/385031884.db2.gz BHNCXROFDNEXAH-JTQLQIEISA-N 2 2 236.319 0.377 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000226677201 385041956 /nfs/dbraw/zinc/04/19/56/385041956.db2.gz FLJISTAEVZMIHQ-NEPJUHHUSA-N 2 2 241.379 0.833 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000226677201 385041964 /nfs/dbraw/zinc/04/19/64/385041964.db2.gz FLJISTAEVZMIHQ-NEPJUHHUSA-N 2 2 241.379 0.833 20 0 BCADLP Cc1cc(C[NH+]2CCC([NH3+])CC2)nn1C ZINC000647482090 385194998 /nfs/dbraw/zinc/19/49/98/385194998.db2.gz QWRPVXYENNLZNZ-UHFFFAOYSA-N 2 2 208.309 0.652 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@@H+]1CCn1cccn1 ZINC000044387962 385206337 /nfs/dbraw/zinc/20/63/37/385206337.db2.gz UNMOJTXIUXRYQA-LLVKDONJSA-N 2 2 208.309 0.696 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@H+]1CCn1cccn1 ZINC000044387962 385206341 /nfs/dbraw/zinc/20/63/41/385206341.db2.gz UNMOJTXIUXRYQA-LLVKDONJSA-N 2 2 208.309 0.696 20 0 BCADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000178206392 385208004 /nfs/dbraw/zinc/20/80/04/385208004.db2.gz MVDHGBRWZCTYNS-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000178206392 385208006 /nfs/dbraw/zinc/20/80/06/385208006.db2.gz MVDHGBRWZCTYNS-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP Cc1cncc(C[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000308882715 385235521 /nfs/dbraw/zinc/23/55/21/385235521.db2.gz UWEFNJSXLUNGOF-NSHDSACASA-N 2 2 209.293 0.141 20 0 BCADLP Cc1cncc(C[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000308882715 385235524 /nfs/dbraw/zinc/23/55/24/385235524.db2.gz UWEFNJSXLUNGOF-NSHDSACASA-N 2 2 209.293 0.141 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c[nH+]1 ZINC000647058273 385203198 /nfs/dbraw/zinc/20/31/98/385203198.db2.gz ZPUOVNMUPSLCOZ-YUMQZZPRSA-N 2 2 226.255 0.148 20 0 BCADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC000178207479 385205968 /nfs/dbraw/zinc/20/59/68/385205968.db2.gz NGPVKEWVERQSJD-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC000178207479 385205973 /nfs/dbraw/zinc/20/59/73/385205973.db2.gz NGPVKEWVERQSJD-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000178207479 385205978 /nfs/dbraw/zinc/20/59/78/385205978.db2.gz NGPVKEWVERQSJD-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000178207479 385205980 /nfs/dbraw/zinc/20/59/80/385205980.db2.gz NGPVKEWVERQSJD-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2n[nH]cc2C)C1 ZINC000647493514 385315225 /nfs/dbraw/zinc/31/52/25/385315225.db2.gz ZMOFULWWBLWHBZ-JTQLQIEISA-N 2 2 208.309 0.759 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2n[nH]cc2C)C1 ZINC000647493514 385315229 /nfs/dbraw/zinc/31/52/29/385315229.db2.gz ZMOFULWWBLWHBZ-JTQLQIEISA-N 2 2 208.309 0.759 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2[nH]ncc2C)C1 ZINC000647493514 385315231 /nfs/dbraw/zinc/31/52/31/385315231.db2.gz ZMOFULWWBLWHBZ-JTQLQIEISA-N 2 2 208.309 0.759 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2[nH]ncc2C)C1 ZINC000647493514 385315236 /nfs/dbraw/zinc/31/52/36/385315236.db2.gz ZMOFULWWBLWHBZ-JTQLQIEISA-N 2 2 208.309 0.759 20 0 BCADLP Cc1[nH+]ccn1CCN1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000644730551 385259104 /nfs/dbraw/zinc/25/91/04/385259104.db2.gz APKBQDTUDYFSMC-CHWSQXEVSA-N 2 2 234.347 0.827 20 0 BCADLP Cc1[nH+]ccn1CCN1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000644730551 385259107 /nfs/dbraw/zinc/25/91/07/385259107.db2.gz APKBQDTUDYFSMC-CHWSQXEVSA-N 2 2 234.347 0.827 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]2CN(C)C[C@H]21 ZINC000644730551 385259112 /nfs/dbraw/zinc/25/91/12/385259112.db2.gz APKBQDTUDYFSMC-CHWSQXEVSA-N 2 2 234.347 0.827 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]2CN(C)C[C@H]21 ZINC000644730551 385259115 /nfs/dbraw/zinc/25/91/15/385259115.db2.gz APKBQDTUDYFSMC-CHWSQXEVSA-N 2 2 234.347 0.827 20 0 BCADLP C[C@@H](C(N)=O)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793443 385335022 /nfs/dbraw/zinc/33/50/22/385335022.db2.gz UBGBQYNJONBEHH-VIFPVBQESA-N 2 2 222.292 0.394 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000644733251 385339670 /nfs/dbraw/zinc/33/96/70/385339670.db2.gz NILLQEHJYDYLES-PWSUYJOCSA-N 2 2 220.320 0.556 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000644733251 385339675 /nfs/dbraw/zinc/33/96/75/385339675.db2.gz NILLQEHJYDYLES-PWSUYJOCSA-N 2 2 220.320 0.556 20 0 BCADLP CC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@@H]1CCOC1 ZINC000390487275 385343614 /nfs/dbraw/zinc/34/36/14/385343614.db2.gz OAKCRWGEEYKTTD-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C[C@H](O)C[N@H+](C)CC)[C@@H]1CCOC1 ZINC000390487275 385343618 /nfs/dbraw/zinc/34/36/18/385343618.db2.gz OAKCRWGEEYKTTD-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](CC)[C@@H]1CCOC1 ZINC000390487275 385343622 /nfs/dbraw/zinc/34/36/22/385343622.db2.gz OAKCRWGEEYKTTD-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)[C@@H]1CCOC1 ZINC000390487275 385343627 /nfs/dbraw/zinc/34/36/27/385343627.db2.gz OAKCRWGEEYKTTD-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC([NH+](C)C)C1 ZINC000492325186 385362270 /nfs/dbraw/zinc/36/22/70/385362270.db2.gz UGDXZEAXSGWQTG-WAYWQWQTSA-N 2 2 248.330 0.689 20 0 BCADLP C[C@@H]([NH3+])CCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000193302259 385392581 /nfs/dbraw/zinc/39/25/81/385392581.db2.gz LTVZQVFGAAKWKD-WDEREUQCSA-N 2 2 238.335 0.763 20 0 BCADLP C[C@@H](O)C[C@H]1COCC[N@@H+]1CCn1cc[nH+]c1 ZINC000156888714 385472709 /nfs/dbraw/zinc/47/27/09/385472709.db2.gz NRVLPSOEMKREIL-NEPJUHHUSA-N 2 2 239.319 0.355 20 0 BCADLP C[C@@H](O)C[C@H]1COCC[N@H+]1CCn1cc[nH+]c1 ZINC000156888714 385472714 /nfs/dbraw/zinc/47/27/14/385472714.db2.gz NRVLPSOEMKREIL-NEPJUHHUSA-N 2 2 239.319 0.355 20 0 BCADLP Cc1cc(N2CC[C@H](N3CC[NH2+]CC3)C2)nc[nH+]1 ZINC000257693481 385488404 /nfs/dbraw/zinc/48/84/04/385488404.db2.gz JRFHZPOKUOJYEA-LBPRGKRZSA-N 2 2 247.346 0.269 20 0 BCADLP Cc1nc2[nH]ccc2c(N2C[C@H]3C[NH2+]C[C@H]3C2)[nH+]1 ZINC000643036728 385534120 /nfs/dbraw/zinc/53/41/20/385534120.db2.gz JBMKFJYAWXWWLM-AOOOYVTPSA-N 2 2 243.314 0.922 20 0 BCADLP Cc1nc(N2CC[N@@H+]3CCOC[C@H]3C2)cc[nH+]1 ZINC000364879222 385535277 /nfs/dbraw/zinc/53/52/77/385535277.db2.gz CPLIUGKERBROGL-LLVKDONJSA-N 2 2 234.303 0.306 20 0 BCADLP Cc1nc(N2CC[N@H+]3CCOC[C@H]3C2)cc[nH+]1 ZINC000364879222 385535282 /nfs/dbraw/zinc/53/52/82/385535282.db2.gz CPLIUGKERBROGL-LLVKDONJSA-N 2 2 234.303 0.306 20 0 BCADLP C[NH+](C)[C@@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)C1CC1 ZINC000493195290 385554312 /nfs/dbraw/zinc/55/43/12/385554312.db2.gz VELLJXQPVDEWMM-QRGHLMKCSA-N 2 2 248.330 0.879 20 0 BCADLP CO[C@@H](C)C[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309486732 385613933 /nfs/dbraw/zinc/61/39/33/385613933.db2.gz XFKUEDMAPBSUMK-JQWIXIFHSA-N 2 2 230.352 0.408 20 0 BCADLP CO[C@@H](C)C[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309486732 385613938 /nfs/dbraw/zinc/61/39/38/385613938.db2.gz XFKUEDMAPBSUMK-JQWIXIFHSA-N 2 2 230.352 0.408 20 0 BCADLP CO[C@@H](C)C[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000309486732 385613942 /nfs/dbraw/zinc/61/39/42/385613942.db2.gz XFKUEDMAPBSUMK-JQWIXIFHSA-N 2 2 230.352 0.408 20 0 BCADLP CO[C@@H](C)C[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309486732 385613944 /nfs/dbraw/zinc/61/39/44/385613944.db2.gz XFKUEDMAPBSUMK-JQWIXIFHSA-N 2 2 230.352 0.408 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCn2cncc2C1 ZINC000647939596 385664135 /nfs/dbraw/zinc/66/41/35/385664135.db2.gz TYPWXPVSIAQFIQ-UHFFFAOYSA-N 2 2 231.303 0.904 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCn2cncc2C1 ZINC000647939596 385664142 /nfs/dbraw/zinc/66/41/42/385664142.db2.gz TYPWXPVSIAQFIQ-UHFFFAOYSA-N 2 2 231.303 0.904 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000647939596 385664148 /nfs/dbraw/zinc/66/41/48/385664148.db2.gz TYPWXPVSIAQFIQ-UHFFFAOYSA-N 3 2 231.303 0.904 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000647939596 385664154 /nfs/dbraw/zinc/66/41/54/385664154.db2.gz TYPWXPVSIAQFIQ-UHFFFAOYSA-N 3 2 231.303 0.904 20 0 BCADLP Cc1c(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cnn1C ZINC000309512209 385646565 /nfs/dbraw/zinc/64/65/65/385646565.db2.gz XSLYPYCYLFNENX-CABZTGNLSA-N 2 2 222.336 0.768 20 0 BCADLP Cc1c(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cnn1C ZINC000309512209 385646568 /nfs/dbraw/zinc/64/65/68/385646568.db2.gz XSLYPYCYLFNENX-CABZTGNLSA-N 2 2 222.336 0.768 20 0 BCADLP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414851016 385647221 /nfs/dbraw/zinc/64/72/21/385647221.db2.gz SSNIVNJTQWUSLJ-JTQLQIEISA-N 2 2 208.309 0.868 20 0 BCADLP CC[C@H](CO)[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000336653030 385653165 /nfs/dbraw/zinc/65/31/65/385653165.db2.gz LBFFIVSYKJVSBC-AXFHLTTASA-N 2 2 200.326 0.687 20 0 BCADLP CC[C@H](CO)[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336653030 385653166 /nfs/dbraw/zinc/65/31/66/385653166.db2.gz LBFFIVSYKJVSBC-AXFHLTTASA-N 2 2 200.326 0.687 20 0 BCADLP CC[C@H](CO)[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000336653034 385653339 /nfs/dbraw/zinc/65/33/39/385653339.db2.gz LBFFIVSYKJVSBC-MXWKQRLJSA-N 2 2 200.326 0.687 20 0 BCADLP CC[C@H](CO)[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000336653034 385653341 /nfs/dbraw/zinc/65/33/41/385653341.db2.gz LBFFIVSYKJVSBC-MXWKQRLJSA-N 2 2 200.326 0.687 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]Cc1c[nH]nc1C ZINC000184545611 385674090 /nfs/dbraw/zinc/67/40/90/385674090.db2.gz SQLVTYCLTRKREW-UHFFFAOYSA-N 2 2 226.324 0.122 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]Cc1c[nH]nc1C ZINC000184545611 385674096 /nfs/dbraw/zinc/67/40/96/385674096.db2.gz SQLVTYCLTRKREW-UHFFFAOYSA-N 2 2 226.324 0.122 20 0 BCADLP C[C@H](C[S@](C)=O)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000228363255 385697415 /nfs/dbraw/zinc/69/74/15/385697415.db2.gz VFNVALAVGMBGCV-RSQPEXBXSA-N 2 2 232.393 0.826 20 0 BCADLP C[C@H](C[S@](C)=O)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000228363255 385697417 /nfs/dbraw/zinc/69/74/17/385697417.db2.gz VFNVALAVGMBGCV-RSQPEXBXSA-N 2 2 232.393 0.826 20 0 BCADLP Cc1[nH]c(C(=O)NC2(C[NH+](C)C)CCC2)c[nH+]1 ZINC000281763641 385700107 /nfs/dbraw/zinc/70/01/07/385700107.db2.gz QGPXEWXNJWWONC-UHFFFAOYSA-N 2 2 236.319 0.932 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)C(=O)NCCF ZINC000337557298 385702128 /nfs/dbraw/zinc/70/21/28/385702128.db2.gz SDEKAMYQCQPZEG-OUAUKWLOSA-N 2 2 245.342 0.390 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)C(=O)NCCF ZINC000337557298 385702132 /nfs/dbraw/zinc/70/21/32/385702132.db2.gz SDEKAMYQCQPZEG-OUAUKWLOSA-N 2 2 245.342 0.390 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)C(=O)NCCF ZINC000337557295 385702248 /nfs/dbraw/zinc/70/22/48/385702248.db2.gz SDEKAMYQCQPZEG-GARJFASQSA-N 2 2 245.342 0.390 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)C(=O)NCCF ZINC000337557295 385702252 /nfs/dbraw/zinc/70/22/52/385702252.db2.gz SDEKAMYQCQPZEG-GARJFASQSA-N 2 2 245.342 0.390 20 0 BCADLP C[C@@H](C[NH2+]Cc1cnnn1C)C[NH+](C)C ZINC000336687240 385702646 /nfs/dbraw/zinc/70/26/46/385702646.db2.gz LHZSWOONVKZNJS-VIFPVBQESA-N 2 2 211.313 0.102 20 0 BCADLP C[NH2+]CCC[NH2+]Cc1c(Cl)cnn1C ZINC000414857512 385729255 /nfs/dbraw/zinc/72/92/55/385729255.db2.gz DPIKLISVSFRPMO-UHFFFAOYSA-N 2 2 216.716 0.773 20 0 BCADLP CCCCC[N@H+](CCn1cc[nH+]c1)CC(N)=O ZINC000183053922 385732015 /nfs/dbraw/zinc/73/20/15/385732015.db2.gz JDQZWJXNZDQYAF-UHFFFAOYSA-N 2 2 238.335 0.861 20 0 BCADLP CCCCC[N@@H+](CCn1cc[nH+]c1)CC(N)=O ZINC000183053922 385732018 /nfs/dbraw/zinc/73/20/18/385732018.db2.gz JDQZWJXNZDQYAF-UHFFFAOYSA-N 2 2 238.335 0.861 20 0 BCADLP CC[N@H+](CCCn1cc[nH+]c1)[C@H]1CCNC1=O ZINC000282188504 385741144 /nfs/dbraw/zinc/74/11/44/385741144.db2.gz BVEIVFWKNYBWOL-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP CC[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCNC1=O ZINC000282188504 385741146 /nfs/dbraw/zinc/74/11/46/385741146.db2.gz BVEIVFWKNYBWOL-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP CNC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000408376881 385742992 /nfs/dbraw/zinc/74/29/92/385742992.db2.gz UUNAUMZAKGQVJC-UHFFFAOYSA-N 2 2 222.292 0.266 20 0 BCADLP CC(=O)N1CC[N@H+](CCn2cc[nH+]c2)[C@H](C)C1 ZINC000270829588 385748194 /nfs/dbraw/zinc/74/81/94/385748194.db2.gz CPXQHIUTTGMRBY-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP CC(=O)N1CC[N@@H+](CCn2cc[nH+]c2)[C@H](C)C1 ZINC000270829588 385748199 /nfs/dbraw/zinc/74/81/99/385748199.db2.gz CPXQHIUTTGMRBY-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP CC[C@H]1C(=O)NCC[N@H+]1CCn1cc[nH+]c1 ZINC000270826670 385748464 /nfs/dbraw/zinc/74/84/64/385748464.db2.gz CCYDDLZDXNBNAN-JTQLQIEISA-N 2 2 222.292 0.094 20 0 BCADLP CC[C@H]1C(=O)NCC[N@@H+]1CCn1cc[nH+]c1 ZINC000270826670 385748467 /nfs/dbraw/zinc/74/84/67/385748467.db2.gz CCYDDLZDXNBNAN-JTQLQIEISA-N 2 2 222.292 0.094 20 0 BCADLP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414863876 385761642 /nfs/dbraw/zinc/76/16/42/385761642.db2.gz JKXKWTFNKRIZPJ-UTUOFQBUSA-N 3 2 211.353 0.859 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CCSC1 ZINC000186579779 385774310 /nfs/dbraw/zinc/77/43/10/385774310.db2.gz WRYJVZDMKKYMDA-SNVBAGLBSA-N 2 2 218.366 0.396 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCSC1 ZINC000186579779 385774315 /nfs/dbraw/zinc/77/43/15/385774315.db2.gz WRYJVZDMKKYMDA-SNVBAGLBSA-N 2 2 218.366 0.396 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)COCC(=O)OC)C1 ZINC000414558791 385775173 /nfs/dbraw/zinc/77/51/73/385775173.db2.gz ZOXBBIYOZIEQPZ-QWRGUYRKSA-N 2 2 244.335 0.248 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)COCC(=O)OC)C1 ZINC000414558791 385775176 /nfs/dbraw/zinc/77/51/76/385775176.db2.gz ZOXBBIYOZIEQPZ-QWRGUYRKSA-N 2 2 244.335 0.248 20 0 BCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cncs1 ZINC000309590028 385720965 /nfs/dbraw/zinc/72/09/65/385720965.db2.gz UNLDDVXFPZMMPI-ONGXEEELSA-N 2 2 241.360 0.860 20 0 BCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cncs1 ZINC000309590028 385720967 /nfs/dbraw/zinc/72/09/67/385720967.db2.gz UNLDDVXFPZMMPI-ONGXEEELSA-N 2 2 241.360 0.860 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]CCC(C)(C)O)n1C ZINC000336690341 385723641 /nfs/dbraw/zinc/72/36/41/385723641.db2.gz HGMMELNUFBCTCJ-UHFFFAOYSA-N 2 2 240.351 0.737 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000414953941 385835432 /nfs/dbraw/zinc/83/54/32/385835432.db2.gz MHTUJKCNTAPFRB-QJPTWQEYSA-N 3 2 211.353 0.716 20 0 BCADLP CO[C@@H](C[NH3+])CC(=O)Nc1cc[nH+]cc1C ZINC000232120579 385837595 /nfs/dbraw/zinc/83/75/95/385837595.db2.gz ZLRSLAHCYNMWLE-SECBINFHSA-N 2 2 223.276 0.692 20 0 BCADLP C[C@H](C[NH3+])C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000262455915 385848930 /nfs/dbraw/zinc/84/89/30/385848930.db2.gz WNVXTUYRZMWEHZ-SNVBAGLBSA-N 2 2 246.314 0.588 20 0 BCADLP CS[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@H]1[NH+](C)C ZINC000271791172 385851228 /nfs/dbraw/zinc/85/12/28/385851228.db2.gz AIDGNQIPCNEYPV-ZJUUUORDSA-N 2 2 240.376 0.887 20 0 BCADLP CS[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H]1[NH+](C)C ZINC000271791169 385851613 /nfs/dbraw/zinc/85/16/13/385851613.db2.gz AIDGNQIPCNEYPV-VHSXEESVSA-N 2 2 240.376 0.887 20 0 BCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccncc1F ZINC000340479033 385895460 /nfs/dbraw/zinc/89/54/60/385895460.db2.gz UFZKWJMPINGOAT-VHSXEESVSA-N 2 2 241.310 0.794 20 0 BCADLP CCc1cnc(C[NH+]2CCC(O)(C[NH3+])CC2)o1 ZINC000563211779 385897607 /nfs/dbraw/zinc/89/76/07/385897607.db2.gz OXSONIIGTFABPM-UHFFFAOYSA-N 2 2 239.319 0.523 20 0 BCADLP CCc1cc(=O)[nH]c(C[N@H+](C)CCC[NH3+])n1 ZINC000647848067 385898800 /nfs/dbraw/zinc/89/88/00/385898800.db2.gz BMRNSAJFYZOFAU-UHFFFAOYSA-N 2 2 224.308 0.525 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC000647856380 385906682 /nfs/dbraw/zinc/90/66/82/385906682.db2.gz OQKUIGRZQSHOLM-GFCCVEGCSA-N 2 2 235.331 0.569 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC000647856380 385906683 /nfs/dbraw/zinc/90/66/83/385906683.db2.gz OQKUIGRZQSHOLM-GFCCVEGCSA-N 2 2 235.331 0.569 20 0 BCADLP CCC[NH2+]CC[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC000414871769 385859620 /nfs/dbraw/zinc/85/96/20/385859620.db2.gz OLSLBYTYRBOQPF-UHFFFAOYSA-N 2 2 239.319 0.891 20 0 BCADLP CC(C)CNC(=O)[C@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000647926619 385983222 /nfs/dbraw/zinc/98/32/22/385983222.db2.gz GVCZAKWGIYCIAR-NSHDSACASA-N 2 2 241.379 0.960 20 0 BCADLP Cc1nnsc1C[NH2+]CCn1cc[nH+]c1 ZINC000309005523 385934143 /nfs/dbraw/zinc/93/41/43/385934143.db2.gz UJTXVTWCOBUNMZ-UHFFFAOYSA-N 2 2 223.305 0.833 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c[nH+]1 ZINC000335044514 385939002 /nfs/dbraw/zinc/93/90/02/385939002.db2.gz USJJYPLWTMPJAW-CBAPKCEASA-N 2 2 222.292 0.446 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c[nH+]1 ZINC000335044517 385939556 /nfs/dbraw/zinc/93/95/56/385939556.db2.gz USJJYPLWTMPJAW-IONNQARKSA-N 2 2 222.292 0.446 20 0 BCADLP C([NH2+][C@@H]1CCC12CCC2)[C@H]1C[NH2+]CCO1 ZINC000335048688 385943684 /nfs/dbraw/zinc/94/36/84/385943684.db2.gz BCZALWADDFQQEL-GHMZBOCLSA-N 2 2 210.321 0.897 20 0 BCADLP C[C@H]([NH2+]CC1([NH3+])CCC1)C(=O)NC1CCCC1 ZINC000342142140 385944393 /nfs/dbraw/zinc/94/43/93/385944393.db2.gz RYVITMYUSWAEJP-JTQLQIEISA-N 2 2 239.363 0.905 20 0 BCADLP CC(C)CNC(=O)[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342149864 385948257 /nfs/dbraw/zinc/94/82/57/385948257.db2.gz YVHILDUPHSKICC-JTQLQIEISA-N 2 2 227.352 0.618 20 0 BCADLP C[C@H](C[NH+]1CCC(C)([NH3+])CC1)CS(C)(=O)=O ZINC000647924796 385958398 /nfs/dbraw/zinc/95/83/98/385958398.db2.gz KPICFFJKBIMLQG-SNVBAGLBSA-N 2 2 248.392 0.480 20 0 BCADLP CCn1cc(C[NH2+]CC2([NH3+])CCC2)cn1 ZINC000414881845 386005570 /nfs/dbraw/zinc/00/55/70/386005570.db2.gz LFOOLLPXUSJYJL-UHFFFAOYSA-N 2 2 208.309 0.874 20 0 BCADLP CC[C@H]([NH3+])C[NH2+]Cc1nc(C)ccc1O ZINC000414975340 386017948 /nfs/dbraw/zinc/01/79/48/386017948.db2.gz GDLCLYCNOQRNQT-VIFPVBQESA-N 2 2 209.293 0.923 20 0 BCADLP C[C@@H](C[NH+](C)C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000286607680 386058618 /nfs/dbraw/zinc/05/86/18/386058618.db2.gz ALHPDKGCACMGRL-VIFPVBQESA-N 2 2 224.308 0.409 20 0 BCADLP Cc1cc(NC(=O)NC[C@H]([NH3+])C2CC2)cc[nH+]1 ZINC000415406434 386060321 /nfs/dbraw/zinc/06/03/21/386060321.db2.gz ZTIMONKKAFAXKI-NSHDSACASA-N 2 2 234.303 0.671 20 0 BCADLP COc1cc(C)[nH+]c(CN[C@@H]2CC[NH2+]C2)c1 ZINC000414885797 386070355 /nfs/dbraw/zinc/07/03/55/386070355.db2.gz PIYNFECHISWJCK-SNVBAGLBSA-N 2 2 221.304 0.850 20 0 BCADLP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[NH2+]C1 ZINC000414887295 386085886 /nfs/dbraw/zinc/08/58/86/386085886.db2.gz QTPHRDVPSIUDMM-VIFPVBQESA-N 2 2 214.309 0.527 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414672915 386145047 /nfs/dbraw/zinc/14/50/47/386145047.db2.gz OHKSNQGBVCZGCL-RYUDHWBXSA-N 3 2 213.369 0.901 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414672915 386145051 /nfs/dbraw/zinc/14/50/51/386145051.db2.gz OHKSNQGBVCZGCL-RYUDHWBXSA-N 3 2 213.369 0.901 20 0 BCADLP [NH3+]CCC[NH+]1CCN(c2ccccc2O)CC1 ZINC000414674946 386145281 /nfs/dbraw/zinc/14/52/81/386145281.db2.gz SNWKVZMXWWTRKD-UHFFFAOYSA-N 2 2 235.331 0.863 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414672912 386145556 /nfs/dbraw/zinc/14/55/56/386145556.db2.gz OHKSNQGBVCZGCL-NWDGAFQWSA-N 3 2 213.369 0.901 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414672912 386145562 /nfs/dbraw/zinc/14/55/62/386145562.db2.gz OHKSNQGBVCZGCL-NWDGAFQWSA-N 3 2 213.369 0.901 20 0 BCADLP [NH3+]Cc1cc(C(=O)NCCn2cc[nH+]c2)ccn1 ZINC000130198686 386146156 /nfs/dbraw/zinc/14/61/56/386146156.db2.gz BWZJQXFEHMMVKZ-UHFFFAOYSA-N 2 2 245.286 0.167 20 0 BCADLP CC[NH+](CC)CCNC(=O)CCn1cc[nH+]c1 ZINC000263697707 386167712 /nfs/dbraw/zinc/16/77/12/386167712.db2.gz RPOYJZKEJNCZQD-UHFFFAOYSA-N 2 2 238.335 0.731 20 0 BCADLP CCc1nc(NC[C@@H]2COCC[NH2+]2)cc(C)[nH+]1 ZINC000310284508 386167999 /nfs/dbraw/zinc/16/79/99/386167999.db2.gz ZPBIZYVHDQPFLR-SNVBAGLBSA-N 2 2 236.319 0.748 20 0 BCADLP CN(C)c1ccc(CNC(=O)C[NH+](C)C)c[nH+]1 ZINC000263855278 386183146 /nfs/dbraw/zinc/18/31/46/386183146.db2.gz POJJMYVSQZREHJ-UHFFFAOYSA-N 2 2 236.319 0.325 20 0 BCADLP C[C@H](CNC(=O)CCc1[nH]cc[nH+]1)[NH+](C)C ZINC000287468622 386126443 /nfs/dbraw/zinc/12/64/43/386126443.db2.gz YDJQRUNZGPELPY-SECBINFHSA-N 2 2 224.308 0.409 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000365520816 386142975 /nfs/dbraw/zinc/14/29/75/386142975.db2.gz ZUJMELIRDYOEPV-MXWKQRLJSA-N 2 2 237.347 0.147 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000365520816 386142982 /nfs/dbraw/zinc/14/29/82/386142982.db2.gz ZUJMELIRDYOEPV-MXWKQRLJSA-N 2 2 237.347 0.147 20 0 BCADLP C[C@H](C(=O)NC1CC1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000365520816 386142989 /nfs/dbraw/zinc/14/29/89/386142989.db2.gz ZUJMELIRDYOEPV-MXWKQRLJSA-N 2 2 237.347 0.147 20 0 BCADLP C[C@H](C(=O)NC1CC1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000365520816 386142996 /nfs/dbraw/zinc/14/29/96/386142996.db2.gz ZUJMELIRDYOEPV-MXWKQRLJSA-N 2 2 237.347 0.147 20 0 BCADLP CC[N@H+](C)CCNC(=O)NCc1[nH+]ccn1C ZINC000264182306 386216073 /nfs/dbraw/zinc/21/60/73/386216073.db2.gz NJIDUFMLIIVSPC-UHFFFAOYSA-N 2 2 239.323 0.171 20 0 BCADLP CC[N@@H+](C)CCNC(=O)NCc1[nH+]ccn1C ZINC000264182306 386216077 /nfs/dbraw/zinc/21/60/77/386216077.db2.gz NJIDUFMLIIVSPC-UHFFFAOYSA-N 2 2 239.323 0.171 20 0 BCADLP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414714239 386232778 /nfs/dbraw/zinc/23/27/78/386232778.db2.gz WONBMFJCIGYLJW-QWRGUYRKSA-N 2 2 227.352 0.570 20 0 BCADLP CNC(=O)[C@@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414714239 386232783 /nfs/dbraw/zinc/23/27/83/386232783.db2.gz WONBMFJCIGYLJW-QWRGUYRKSA-N 2 2 227.352 0.570 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)CCn2cc[nH+]c2)C1 ZINC000297212805 386233160 /nfs/dbraw/zinc/23/31/60/386233160.db2.gz XAKYELDJKJCGBH-UHFFFAOYSA-N 2 2 236.319 0.482 20 0 BCADLP COC(=O)[C@H]1CC[N@H+](CCn2cc[nH+]c2)[C@@H]1C ZINC000347147800 386260783 /nfs/dbraw/zinc/26/07/83/386260783.db2.gz YNMTVFXZMOPZDB-MNOVXSKESA-N 2 2 237.303 0.767 20 0 BCADLP COC(=O)[C@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@@H]1C ZINC000347147800 386260788 /nfs/dbraw/zinc/26/07/88/386260788.db2.gz YNMTVFXZMOPZDB-MNOVXSKESA-N 2 2 237.303 0.767 20 0 BCADLP C[NH+](C)[C@H](CNC(N)=[NH2+])c1ccc(F)cc1 ZINC000263942425 386195560 /nfs/dbraw/zinc/19/55/60/386195560.db2.gz DGRWTEUNOJQREO-SNVBAGLBSA-N 2 2 224.283 0.911 20 0 BCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cn[nH]c1 ZINC000275248777 386195740 /nfs/dbraw/zinc/19/57/40/386195740.db2.gz YERUHSUZDMZNHM-PWSUYJOCSA-N 2 2 238.335 0.517 20 0 BCADLP CCCC(=O)NC1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000647880357 386197492 /nfs/dbraw/zinc/19/74/92/386197492.db2.gz LNKWVEQTYMEMMH-SNVBAGLBSA-N 2 2 227.352 0.714 20 0 BCADLP CC(C)OC(=O)[C@@H](C)[N@H+](C)CCC[NH3+] ZINC000414698552 386198819 /nfs/dbraw/zinc/19/88/19/386198819.db2.gz DAYNMCOLDXTUJQ-SECBINFHSA-N 2 2 202.298 0.607 20 0 BCADLP CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000414698552 386198825 /nfs/dbraw/zinc/19/88/25/386198825.db2.gz DAYNMCOLDXTUJQ-SECBINFHSA-N 2 2 202.298 0.607 20 0 BCADLP C[C@@H](O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000336664253 386287771 /nfs/dbraw/zinc/28/77/71/386287771.db2.gz ZWDCIQSSWUQVPF-ZYHUDNBSSA-N 2 2 222.288 0.916 20 0 BCADLP C[C@@H](O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000336664253 386287776 /nfs/dbraw/zinc/28/77/76/386287776.db2.gz ZWDCIQSSWUQVPF-ZYHUDNBSSA-N 2 2 222.288 0.916 20 0 BCADLP C[NH+](C)CCC[NH2+]Cc1cn2cccnc2n1 ZINC000298146140 386304359 /nfs/dbraw/zinc/30/43/59/386304359.db2.gz CFPJDGWDQKVRQF-UHFFFAOYSA-N 2 2 233.319 0.771 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C1CC1)C1COC1 ZINC000298172986 386306865 /nfs/dbraw/zinc/30/68/65/386306865.db2.gz UMFCPRUMSWQAKY-UHFFFAOYSA-N 2 2 221.304 0.826 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C1CC1)C1COC1 ZINC000298172986 386306869 /nfs/dbraw/zinc/30/68/69/386306869.db2.gz UMFCPRUMSWQAKY-UHFFFAOYSA-N 2 2 221.304 0.826 20 0 BCADLP C[C@@H](O)C[N@H+](CCc1c[nH+]cn1C)[C@H](C)CO ZINC000289491364 386315659 /nfs/dbraw/zinc/31/56/59/386315659.db2.gz CNETWCJUIBRAOR-GHMZBOCLSA-N 2 2 241.335 0.026 20 0 BCADLP C[C@@H](O)C[N@@H+](CCc1c[nH+]cn1C)[C@H](C)CO ZINC000289491364 386315665 /nfs/dbraw/zinc/31/56/65/386315665.db2.gz CNETWCJUIBRAOR-GHMZBOCLSA-N 2 2 241.335 0.026 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+](C)CCOCCO ZINC000414738060 386317652 /nfs/dbraw/zinc/31/76/52/386317652.db2.gz BDXVUEXEHZBGMR-NSHDSACASA-N 2 2 218.341 0.301 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)CCOCCO ZINC000414738060 386317667 /nfs/dbraw/zinc/31/76/67/386317667.db2.gz BDXVUEXEHZBGMR-NSHDSACASA-N 2 2 218.341 0.301 20 0 BCADLP CCC[C@H]([NH3+])C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000236872895 386319536 /nfs/dbraw/zinc/31/95/36/386319536.db2.gz OHNLHASXLILODF-QWRGUYRKSA-N 2 2 238.335 0.763 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000335261537 386321051 /nfs/dbraw/zinc/32/10/51/386321051.db2.gz ZLUKAYMGPOFGKI-SCZZXKLOSA-N 2 2 236.319 0.836 20 0 BCADLP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000414740848 386321779 /nfs/dbraw/zinc/32/17/79/386321779.db2.gz LSDSAVAZUWIYMO-VWYCJHECSA-N 2 2 227.352 0.474 20 0 BCADLP CC(C)C[C@H]([NH3+])C[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000414740844 386321927 /nfs/dbraw/zinc/32/19/27/386321927.db2.gz LSDSAVAZUWIYMO-GARJFASQSA-N 2 2 227.352 0.474 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@H](C)[N@H+](C)C2CC2)c[nH+]1 ZINC000264738557 386266569 /nfs/dbraw/zinc/26/65/69/386266569.db2.gz GGWVMMJPSHZXCV-QMMMGPOBSA-N 2 2 236.319 0.931 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c[nH+]1 ZINC000264738557 386266577 /nfs/dbraw/zinc/26/65/77/386266577.db2.gz GGWVMMJPSHZXCV-QMMMGPOBSA-N 2 2 236.319 0.931 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c[nH+]1 ZINC000264738556 386267914 /nfs/dbraw/zinc/26/79/14/386267914.db2.gz GGWVMMJPSHZXCV-MRVPVSSYSA-N 2 2 236.319 0.931 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c[nH+]1 ZINC000264738556 386267917 /nfs/dbraw/zinc/26/79/17/386267917.db2.gz GGWVMMJPSHZXCV-MRVPVSSYSA-N 2 2 236.319 0.931 20 0 BCADLP Cn1nncc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000394927789 386272864 /nfs/dbraw/zinc/27/28/64/386272864.db2.gz SUEJRZRVVYWYQS-SNVBAGLBSA-N 2 2 223.324 0.389 20 0 BCADLP Cn1nncc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000394927789 386272869 /nfs/dbraw/zinc/27/28/69/386272869.db2.gz SUEJRZRVVYWYQS-SNVBAGLBSA-N 2 2 223.324 0.389 20 0 BCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000289692350 386345325 /nfs/dbraw/zinc/34/53/25/386345325.db2.gz BCZXQUVXLTUAHE-ONGXEEELSA-N 2 2 236.319 0.660 20 0 BCADLP CC(C)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000335278652 386346764 /nfs/dbraw/zinc/34/67/64/386346764.db2.gz LMBXBIRYJIWQEN-WDEREUQCSA-N 2 2 208.309 0.555 20 0 BCADLP CC(C)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000335278652 386346769 /nfs/dbraw/zinc/34/67/69/386346769.db2.gz LMBXBIRYJIWQEN-WDEREUQCSA-N 2 2 208.309 0.555 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C/C[NH+](C)C ZINC000265635124 386355507 /nfs/dbraw/zinc/35/55/07/386355507.db2.gz KLGZSZFPCHIHBN-SGUJLRQBSA-N 2 2 236.319 0.506 20 0 BCADLP C[NH+]1CCC(C(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000237105922 386356801 /nfs/dbraw/zinc/35/68/01/386356801.db2.gz ADUUGQUNKDZDDQ-UHFFFAOYSA-N 2 2 234.303 0.944 20 0 BCADLP Cn1cc(C[N@@H+]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000647933351 386359073 /nfs/dbraw/zinc/35/90/73/386359073.db2.gz LEQRZERCOCVHQN-UHFFFAOYSA-N 2 2 217.276 0.702 20 0 BCADLP Cn1cc(C[N@H+]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000647933351 386359078 /nfs/dbraw/zinc/35/90/78/386359078.db2.gz LEQRZERCOCVHQN-UHFFFAOYSA-N 2 2 217.276 0.702 20 0 BCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000237130021 386359060 /nfs/dbraw/zinc/35/90/60/386359060.db2.gz XWEZCIQYLJDQHA-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP CCC[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647989601 386361033 /nfs/dbraw/zinc/36/10/33/386361033.db2.gz LEJSNZOOMDDVBV-GHMZBOCLSA-N 2 2 225.336 0.196 20 0 BCADLP CCC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647989601 386361037 /nfs/dbraw/zinc/36/10/37/386361037.db2.gz LEJSNZOOMDDVBV-GHMZBOCLSA-N 2 2 225.336 0.196 20 0 BCADLP C[C@@H](CNC(=O)C(C)(C)[NH3+])Cn1cc[nH+]c1 ZINC000237521131 386387227 /nfs/dbraw/zinc/38/72/27/386387227.db2.gz MOGRJJUUGLLGQP-VIFPVBQESA-N 2 2 224.308 0.373 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCCCO1 ZINC000133918713 386378736 /nfs/dbraw/zinc/37/87/36/386378736.db2.gz PETWFIHRKYNVKH-AGIUHOORSA-N 2 2 242.363 0.912 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](CC[C@@H]2CCCO2)CCO1 ZINC000226770632 386383695 /nfs/dbraw/zinc/38/36/95/386383695.db2.gz XUGKMFGTZNSQHX-QWRGUYRKSA-N 2 2 214.309 0.215 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](CC[C@@H]2CCCO2)CCO1 ZINC000226770632 386383698 /nfs/dbraw/zinc/38/36/98/386383698.db2.gz XUGKMFGTZNSQHX-QWRGUYRKSA-N 2 2 214.309 0.215 20 0 BCADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1cn[nH]c1 ZINC000289579251 386329256 /nfs/dbraw/zinc/32/92/56/386329256.db2.gz RAWYGXWQLXEVQQ-SKDRFNHKSA-N 2 2 238.335 0.515 20 0 BCADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1cn[nH]c1 ZINC000289579251 386329258 /nfs/dbraw/zinc/32/92/58/386329258.db2.gz RAWYGXWQLXEVQQ-SKDRFNHKSA-N 2 2 238.335 0.515 20 0 BCADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1cn[nH]c1 ZINC000289579246 386329995 /nfs/dbraw/zinc/32/99/95/386329995.db2.gz RAWYGXWQLXEVQQ-CABZTGNLSA-N 2 2 238.335 0.515 20 0 BCADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1cn[nH]c1 ZINC000289579246 386329998 /nfs/dbraw/zinc/32/99/98/386329998.db2.gz RAWYGXWQLXEVQQ-CABZTGNLSA-N 2 2 238.335 0.515 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261684785 386438245 /nfs/dbraw/zinc/43/82/45/386438245.db2.gz DMUXJUPJHNWJDV-VHSXEESVSA-N 2 2 236.319 0.852 20 0 BCADLP CO[C@H](C[NH3+])C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000290077523 386389064 /nfs/dbraw/zinc/38/90/64/386389064.db2.gz IRAVHAZKVYTLBR-SNVBAGLBSA-N 2 2 248.286 0.555 20 0 BCADLP C[N@H+](CCO)C1CC[NH+](Cc2ccncc2)CC1 ZINC000265985596 386390054 /nfs/dbraw/zinc/39/00/54/386390054.db2.gz CVCBMIZXLFXXMD-UHFFFAOYSA-N 2 2 249.358 0.970 20 0 BCADLP C[N@@H+](CCO)C1CC[NH+](Cc2ccncc2)CC1 ZINC000265985596 386390057 /nfs/dbraw/zinc/39/00/57/386390057.db2.gz CVCBMIZXLFXXMD-UHFFFAOYSA-N 2 2 249.358 0.970 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000647891575 386393662 /nfs/dbraw/zinc/39/36/62/386393662.db2.gz SVARPFCYTOVALR-VXGBXAGGSA-N 2 2 228.336 0.476 20 0 BCADLP C[NH2+]CCC[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000647891575 386393666 /nfs/dbraw/zinc/39/36/66/386393666.db2.gz SVARPFCYTOVALR-VXGBXAGGSA-N 2 2 228.336 0.476 20 0 BCADLP Nc1ccc(NC(=O)[C@@H]2CCCC[NH2+]2)c[nH+]1 ZINC000237858952 386419564 /nfs/dbraw/zinc/41/95/64/386419564.db2.gz YNPSZBAOZUFOMM-VIFPVBQESA-N 2 2 220.276 0.744 20 0 BCADLP C[NH+](C)C[C@@H]1C[N@H+](C[C@@H]2CCOC2)CCO1 ZINC000336709325 386421935 /nfs/dbraw/zinc/42/19/35/386421935.db2.gz WSIJLQJBEUHXKK-NWDGAFQWSA-N 2 2 228.336 0.285 20 0 BCADLP C[NH+](C)C[C@@H]1C[N@@H+](C[C@@H]2CCOC2)CCO1 ZINC000336709325 386421940 /nfs/dbraw/zinc/42/19/40/386421940.db2.gz WSIJLQJBEUHXKK-NWDGAFQWSA-N 2 2 228.336 0.285 20 0 BCADLP CC[NH+](CC)CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000347497800 386424183 /nfs/dbraw/zinc/42/41/83/386424183.db2.gz FWTSGRRTXPPNBD-UHFFFAOYSA-N 2 2 224.308 0.710 20 0 BCADLP CC(C)[C@H](C(=O)N(C)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC000347523702 386430571 /nfs/dbraw/zinc/43/05/71/386430571.db2.gz WCHHGEQACTVPJE-LLVKDONJSA-N 2 2 238.335 0.954 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000299569258 386467288 /nfs/dbraw/zinc/46/72/88/386467288.db2.gz TYPWTGDRTDZLPE-QWRGUYRKSA-N 2 2 236.319 0.482 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000299569258 386467292 /nfs/dbraw/zinc/46/72/92/386467292.db2.gz TYPWTGDRTDZLPE-QWRGUYRKSA-N 2 2 236.319 0.482 20 0 BCADLP COc1ccc(C[N@H+](CC[NH3+])CCO)cc1C ZINC000414912365 386469324 /nfs/dbraw/zinc/46/93/24/386469324.db2.gz KGKYTKIHKGYNOV-UHFFFAOYSA-N 2 2 238.331 0.757 20 0 BCADLP COc1ccc(C[N@@H+](CC[NH3+])CCO)cc1C ZINC000414912365 386469330 /nfs/dbraw/zinc/46/93/30/386469330.db2.gz KGKYTKIHKGYNOV-UHFFFAOYSA-N 2 2 238.331 0.757 20 0 BCADLP [NH3+]CC[N@@H+](C/C=C\c1ccccc1)CCO ZINC000414912623 386476666 /nfs/dbraw/zinc/47/66/66/386476666.db2.gz KKZZZROKFHKUKC-DAXSKMNVSA-N 2 2 220.316 0.953 20 0 BCADLP [NH3+]CC[N@H+](C/C=C\c1ccccc1)CCO ZINC000414912623 386476669 /nfs/dbraw/zinc/47/66/69/386476669.db2.gz KKZZZROKFHKUKC-DAXSKMNVSA-N 2 2 220.316 0.953 20 0 BCADLP CO[C@@H](C[NH3+])C(=O)Nc1ccc(C)[nH+]c1C ZINC000227391496 386480569 /nfs/dbraw/zinc/48/05/69/386480569.db2.gz FSKMCYCUMIJSBO-JTQLQIEISA-N 2 2 223.276 0.611 20 0 BCADLP CO[C@H](C[NH3+])C(=O)Nc1ccc(C)[nH+]c1C ZINC000227391504 386482209 /nfs/dbraw/zinc/48/22/09/386482209.db2.gz FSKMCYCUMIJSBO-SNVBAGLBSA-N 2 2 223.276 0.611 20 0 BCADLP C[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)[C@@H]1CCOC1 ZINC000336756448 386492844 /nfs/dbraw/zinc/49/28/44/386492844.db2.gz JKQCCHBYZZFHHK-KKOKHZNYSA-N 2 2 212.337 0.951 20 0 BCADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)[C@@H]1CCOC1 ZINC000336756448 386492848 /nfs/dbraw/zinc/49/28/48/386492848.db2.gz JKQCCHBYZZFHHK-KKOKHZNYSA-N 2 2 212.337 0.951 20 0 BCADLP CN(C)c1nccc(C[N@H+](C)C2CC([NH3+])C2)n1 ZINC000414781051 386497437 /nfs/dbraw/zinc/49/74/37/386497437.db2.gz VCWCFMQCLXEYPQ-UHFFFAOYSA-N 2 2 235.335 0.464 20 0 BCADLP CN(C)c1nccc(C[N@@H+](C)C2CC([NH3+])C2)n1 ZINC000414781051 386497442 /nfs/dbraw/zinc/49/74/42/386497442.db2.gz VCWCFMQCLXEYPQ-UHFFFAOYSA-N 2 2 235.335 0.464 20 0 BCADLP CC[C@@H]([NH3+])C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000519597259 386500689 /nfs/dbraw/zinc/50/06/89/386500689.db2.gz ATMKQBZRGUDXDG-SNVBAGLBSA-N 2 2 236.319 0.853 20 0 BCADLP CC[NH+](CC)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000291028822 386502798 /nfs/dbraw/zinc/50/27/98/386502798.db2.gz FAQBHSHBEAXTHB-UHFFFAOYSA-N 2 2 236.319 0.567 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000267237048 386515101 /nfs/dbraw/zinc/51/51/01/386515101.db2.gz LZLLGORTPNQZMA-JTQLQIEISA-N 2 2 246.314 0.730 20 0 BCADLP Cc1cn[nH]c1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000335448792 386517451 /nfs/dbraw/zinc/51/74/51/386517451.db2.gz SOJOAZUDKUEHDJ-JTQLQIEISA-N 2 2 208.309 0.889 20 0 BCADLP Cc1cn[nH]c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000335448792 386517455 /nfs/dbraw/zinc/51/74/55/386517455.db2.gz SOJOAZUDKUEHDJ-JTQLQIEISA-N 2 2 208.309 0.889 20 0 BCADLP Cc1c[nH]nc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000335448792 386517458 /nfs/dbraw/zinc/51/74/58/386517458.db2.gz SOJOAZUDKUEHDJ-JTQLQIEISA-N 2 2 208.309 0.889 20 0 BCADLP Cc1c[nH]nc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000335448792 386517461 /nfs/dbraw/zinc/51/74/61/386517461.db2.gz SOJOAZUDKUEHDJ-JTQLQIEISA-N 2 2 208.309 0.889 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)C12CCC[NH+]1CCC2 ZINC000290622229 386459871 /nfs/dbraw/zinc/45/98/71/386459871.db2.gz ZDOXBCAALHGULQ-UHFFFAOYSA-N 2 2 248.330 0.665 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000299493927 386460032 /nfs/dbraw/zinc/46/00/32/386460032.db2.gz IWHUGCBCOFBJOH-LLVKDONJSA-N 2 2 238.335 0.728 20 0 BCADLP CC(C)[N@H+](C)CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000299493927 386460038 /nfs/dbraw/zinc/46/00/38/386460038.db2.gz IWHUGCBCOFBJOH-LLVKDONJSA-N 2 2 238.335 0.728 20 0 BCADLP C[NH+](C)Cc1cnc(C[N@H+](C)CCO)s1 ZINC000347662446 386460830 /nfs/dbraw/zinc/46/08/30/386460830.db2.gz AYUWGEIOJXPKAM-UHFFFAOYSA-N 2 2 229.349 0.629 20 0 BCADLP C[NH+](C)Cc1cnc(C[N@@H+](C)CCO)s1 ZINC000347662446 386460835 /nfs/dbraw/zinc/46/08/35/386460835.db2.gz AYUWGEIOJXPKAM-UHFFFAOYSA-N 2 2 229.349 0.629 20 0 BCADLP c1ncn(CC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)n1 ZINC000336727402 386465347 /nfs/dbraw/zinc/46/53/47/386465347.db2.gz MDMKKENGGBBCOC-UHFFFAOYSA-N 2 2 246.318 0.881 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000335413023 386578111 /nfs/dbraw/zinc/57/81/11/386578111.db2.gz SJZCBQMVOKYWOQ-GHMZBOCLSA-N 2 2 239.363 0.727 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000335413023 386578116 /nfs/dbraw/zinc/57/81/16/386578116.db2.gz SJZCBQMVOKYWOQ-GHMZBOCLSA-N 2 2 239.363 0.727 20 0 BCADLP COc1cc(C)[nH+]c(CN[C@H](C)C[NH3+])c1 ZINC000414921118 386582908 /nfs/dbraw/zinc/58/29/08/386582908.db2.gz AHWQQGMKTNGMTK-SECBINFHSA-N 2 2 209.293 0.835 20 0 BCADLP COC[C@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)OC ZINC000300418565 386594279 /nfs/dbraw/zinc/59/42/79/386594279.db2.gz WNIHNXUDWYVNIK-GVXVVHGQSA-N 2 2 242.363 0.863 20 0 BCADLP COC[C@H](C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)OC ZINC000300418565 386594283 /nfs/dbraw/zinc/59/42/83/386594283.db2.gz WNIHNXUDWYVNIK-GVXVVHGQSA-N 2 2 242.363 0.863 20 0 BCADLP C[NH+](C)C1(C[NH2+]C[C@H]2CNc3ccnn3C2)CC1 ZINC000648044638 386545603 /nfs/dbraw/zinc/54/56/03/386545603.db2.gz OQWPPXKTCSHICM-NSHDSACASA-N 2 2 249.362 0.609 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CC(=O)N(C)C1CC1 ZINC000063196351 386552192 /nfs/dbraw/zinc/55/21/92/386552192.db2.gz LKZALGKHJYGGIM-ZYHUDNBSSA-N 2 2 239.363 0.809 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CC(=O)N(C)C1CC1 ZINC000063196351 386552196 /nfs/dbraw/zinc/55/21/96/386552196.db2.gz LKZALGKHJYGGIM-ZYHUDNBSSA-N 2 2 239.363 0.809 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CC(=O)N1CCCC1 ZINC000063195951 386553307 /nfs/dbraw/zinc/55/33/07/386553307.db2.gz CWJPNCCFKJAXLZ-VXGBXAGGSA-N 2 2 239.363 0.811 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CC(=O)N1CCCC1 ZINC000063195951 386553311 /nfs/dbraw/zinc/55/33/11/386553311.db2.gz CWJPNCCFKJAXLZ-VXGBXAGGSA-N 2 2 239.363 0.811 20 0 BCADLP CCOc1cccc(C[N@H+](C)C[C@@H](O)C[NH3+])n1 ZINC000415070926 386559337 /nfs/dbraw/zinc/55/93/37/386559337.db2.gz RPUXEZJEASOOGF-NSHDSACASA-N 2 2 239.319 0.232 20 0 BCADLP CCOc1cccc(C[N@@H+](C)C[C@@H](O)C[NH3+])n1 ZINC000415070926 386559339 /nfs/dbraw/zinc/55/93/39/386559339.db2.gz RPUXEZJEASOOGF-NSHDSACASA-N 2 2 239.319 0.232 20 0 BCADLP Cc1cc(NC(=O)N[C@@H]2CCC[NH2+]C2)c(C)c[nH+]1 ZINC000519813871 386559757 /nfs/dbraw/zinc/55/97/57/386559757.db2.gz WIASCJBJBDYLHN-LLVKDONJSA-N 2 2 248.330 0.994 20 0 BCADLP CCOc1cccc(C[N@H+](C)C[C@H](O)C[NH3+])n1 ZINC000415070924 386559920 /nfs/dbraw/zinc/55/99/20/386559920.db2.gz RPUXEZJEASOOGF-LLVKDONJSA-N 2 2 239.319 0.232 20 0 BCADLP CCOc1cccc(C[N@@H+](C)C[C@H](O)C[NH3+])n1 ZINC000415070924 386559925 /nfs/dbraw/zinc/55/99/25/386559925.db2.gz RPUXEZJEASOOGF-LLVKDONJSA-N 2 2 239.319 0.232 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CCCNc1cccc[nH+]1 ZINC000267613521 386563847 /nfs/dbraw/zinc/56/38/47/386563847.db2.gz RYNBQQYXQNRYPN-SNVBAGLBSA-N 2 2 236.319 0.737 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000519830905 386565569 /nfs/dbraw/zinc/56/55/69/386565569.db2.gz ZBUAEQQKHIGLRY-CHWSQXEVSA-N 3 2 225.380 0.917 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000519830905 386565578 /nfs/dbraw/zinc/56/55/78/386565578.db2.gz ZBUAEQQKHIGLRY-CHWSQXEVSA-N 3 2 225.380 0.917 20 0 BCADLP Cc1[nH]c(C(=O)NC2CCC([NH3+])CC2)c[nH+]1 ZINC000335407012 386565690 /nfs/dbraw/zinc/56/56/90/386565690.db2.gz OJUIXGSNWAMCHY-UHFFFAOYSA-N 2 2 222.292 0.718 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000335410334 386573375 /nfs/dbraw/zinc/57/33/75/386573375.db2.gz PTNBHHNJWQFGAQ-SECBINFHSA-N 2 2 222.292 0.448 20 0 BCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000320572661 386622860 /nfs/dbraw/zinc/62/28/60/386622860.db2.gz SMTIBEZUMWLLHE-ZJUUUORDSA-N 2 2 224.308 0.515 20 0 BCADLP COC[C@@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000279128966 386638319 /nfs/dbraw/zinc/63/83/19/386638319.db2.gz VUNATFJMORDKAW-NEPJUHHUSA-N 2 2 239.319 0.667 20 0 BCADLP CO[C@@H]1CCN(Cc2[nH+]ccn2C)[C@@H](C[NH3+])C1 ZINC000161182522 386601596 /nfs/dbraw/zinc/60/15/96/386601596.db2.gz NVSXFVGYQYUTTH-GHMZBOCLSA-N 2 2 238.335 0.358 20 0 BCADLP COC(=O)C(C)(C)CC[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415091678 386609862 /nfs/dbraw/zinc/60/98/62/386609862.db2.gz DAVNFCQOHBZEQP-JTQLQIEISA-N 2 2 244.335 0.154 20 0 BCADLP C[C@H](C[NH3+])[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000414924224 386613630 /nfs/dbraw/zinc/61/36/30/386613630.db2.gz GTTARGZNLNACGJ-RXMQYKEDSA-N 2 2 222.214 0.865 20 0 BCADLP COC(=O)c1cc(C[NH2+][C@H](C)C[NH3+])oc1C ZINC000414923951 386614062 /nfs/dbraw/zinc/61/40/62/386614062.db2.gz FUCMJBQFKSMEBA-SSDOTTSWSA-N 2 2 226.276 0.811 20 0 BCADLP CCN(C)c1ccc(C[NH2+][C@H](C)C[NH3+])cn1 ZINC000414924181 386617243 /nfs/dbraw/zinc/61/72/43/386617243.db2.gz GPNAXWHDPFEUOR-SNVBAGLBSA-N 2 2 222.336 0.975 20 0 BCADLP CCn1cc(C[NH2+]C[C@@H]2CCC[NH2+]2)cn1 ZINC000414820728 386666167 /nfs/dbraw/zinc/66/61/67/386666167.db2.gz AYDPTYMJQGINOF-NSHDSACASA-N 2 2 208.309 0.745 20 0 BCADLP CC[C@]1(O)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000425928947 386669070 /nfs/dbraw/zinc/66/90/70/386669070.db2.gz LNMJVDZEZOTFDW-NSHDSACASA-N 2 2 209.293 0.730 20 0 BCADLP CC[C@]1(O)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000425928947 386669074 /nfs/dbraw/zinc/66/90/74/386669074.db2.gz LNMJVDZEZOTFDW-NSHDSACASA-N 2 2 209.293 0.730 20 0 BCADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000414822158 386672155 /nfs/dbraw/zinc/67/21/55/386672155.db2.gz MRENSVCVAWEWBS-SRVKXCTJSA-N 3 2 211.353 0.716 20 0 BCADLP CC[C@@H](C(=O)NCc1[nH]c[nH+]c1C)[NH+](C)C ZINC000330422441 386709627 /nfs/dbraw/zinc/70/96/27/386709627.db2.gz HNGMLJIOGSFBNA-JTQLQIEISA-N 2 2 224.308 0.675 20 0 BCADLP C[NH2+]CCNCc1c[nH+]c2ccc(C)cn12 ZINC000414830266 386706830 /nfs/dbraw/zinc/70/68/30/386706830.db2.gz NUAHXQYQEWBOSM-UHFFFAOYSA-N 2 2 218.304 0.952 20 0 BCADLP C[NH+](C)CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000334140659 386739572 /nfs/dbraw/zinc/73/95/72/386739572.db2.gz HQRMBRAJOWSWIY-VIFPVBQESA-N 2 2 222.292 0.635 20 0 BCADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000044529646 386723765 /nfs/dbraw/zinc/72/37/65/386723765.db2.gz ITSKTOIKRLECAV-NSHDSACASA-N 2 2 245.330 0.900 20 0 BCADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000044529646 386723769 /nfs/dbraw/zinc/72/37/69/386723769.db2.gz ITSKTOIKRLECAV-NSHDSACASA-N 2 2 245.330 0.900 20 0 BCADLP CC[NH2+]CC[NH2+]Cc1cnc2n[nH]c(C)c2c1 ZINC000414835657 386726876 /nfs/dbraw/zinc/72/68/76/386726876.db2.gz VJTLKXCHJIEIEB-UHFFFAOYSA-N 2 2 233.319 0.965 20 0 BCADLP Cn1cc(C[NH2+][C@H](C[NH3+])C2CCCCC2)nn1 ZINC000414841074 386750752 /nfs/dbraw/zinc/75/07/52/386750752.db2.gz MYTMAZUCFDIPPI-GFCCVEGCSA-N 2 2 237.351 0.812 20 0 BCADLP C[NH+](C)CC1CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000340764246 386769793 /nfs/dbraw/zinc/76/97/93/386769793.db2.gz SUGKKPMGDIEBKE-UHFFFAOYSA-N 2 2 239.323 0.284 20 0 BCADLP CCNC(=O)C(C)(C)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000344846843 386761722 /nfs/dbraw/zinc/76/17/22/386761722.db2.gz FYRWUEVWKMMRMA-MNOVXSKESA-N 2 2 241.379 0.688 20 0 BCADLP CCNC(=O)C(C)(C)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000344846843 386761724 /nfs/dbraw/zinc/76/17/24/386761724.db2.gz FYRWUEVWKMMRMA-MNOVXSKESA-N 2 2 241.379 0.688 20 0 BCADLP CCn1nccc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414842688 386764181 /nfs/dbraw/zinc/76/41/81/386764181.db2.gz IZJWAPKCDJNVBU-SNVBAGLBSA-N 2 2 208.309 0.745 20 0 BCADLP CS[C@H]1CN(Cc2c[nH+]c[nH]2)C[C@H]1[NH+](C)C ZINC000280293809 386800391 /nfs/dbraw/zinc/80/03/91/386800391.db2.gz UWMVKZJGTQFTJH-MNOVXSKESA-N 2 2 240.376 0.887 20 0 BCADLP CS[C@H]1CN(Cc2c[nH]c[nH+]2)C[C@H]1[NH+](C)C ZINC000280293809 386800396 /nfs/dbraw/zinc/80/03/96/386800396.db2.gz UWMVKZJGTQFTJH-MNOVXSKESA-N 2 2 240.376 0.887 20 0 BCADLP CN(CC[NH3+])C(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000417843647 386800834 /nfs/dbraw/zinc/80/08/34/386800834.db2.gz QYNBTYKSVPFGHB-SNVBAGLBSA-N 2 2 243.257 0.382 20 0 BCADLP CCOC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414935540 386809030 /nfs/dbraw/zinc/80/90/30/386809030.db2.gz UHBASUCLMZCAMF-OUAUKWLOSA-N 2 2 200.326 0.999 20 0 BCADLP Cc1ccncc1[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000357778301 386844094 /nfs/dbraw/zinc/84/40/94/386844094.db2.gz NEXLGESZQLBWIJ-NWDGAFQWSA-N 2 2 237.347 0.963 20 0 BCADLP CC1(C)C[NH2+][C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000645185849 386849525 /nfs/dbraw/zinc/84/95/25/386849525.db2.gz SBNYCVNFDPPSMT-SNVBAGLBSA-N 2 2 236.319 0.387 20 0 BCADLP Cc1noc(CCC[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC000358117092 386893934 /nfs/dbraw/zinc/89/39/34/386893934.db2.gz ADOAAAGGHQETBD-KOLCDFICSA-N 2 2 238.335 0.850 20 0 BCADLP Cc1noc(CCC[NH2+][C@H]2C[N@H+](C)C[C@H]2C)n1 ZINC000358117092 386893938 /nfs/dbraw/zinc/89/39/38/386893938.db2.gz ADOAAAGGHQETBD-KOLCDFICSA-N 2 2 238.335 0.850 20 0 BCADLP Cc1cc(NC(=O)N[C@@H](C)[C@H](C)[NH3+])cc[nH+]1 ZINC000334826824 386862097 /nfs/dbraw/zinc/86/20/97/386862097.db2.gz XHYXNMULGNTLBI-IUCAKERBSA-N 2 2 222.292 0.669 20 0 BCADLP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CC1([NH3+])CCC1 ZINC000331511617 386862612 /nfs/dbraw/zinc/86/26/12/386862612.db2.gz BKBAFQSWJFWZHG-WDEREUQCSA-N 3 2 211.353 0.988 20 0 BCADLP C[NH+](C)CC(=O)N1CC[N@H+](C)CC1(C)C ZINC000335745598 386866601 /nfs/dbraw/zinc/86/66/01/386866601.db2.gz NAWQULMLOCESIH-UHFFFAOYSA-N 2 2 213.325 0.101 20 0 BCADLP C[NH+](C)CC(=O)N1CC[N@@H+](C)CC1(C)C ZINC000335745598 386866604 /nfs/dbraw/zinc/86/66/04/386866604.db2.gz NAWQULMLOCESIH-UHFFFAOYSA-N 2 2 213.325 0.101 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000414940076 386876218 /nfs/dbraw/zinc/87/62/18/386876218.db2.gz XEKYUILGFXIVMC-GWCFXTLKSA-N 2 2 247.342 0.873 20 0 BCADLP C[NH+]1CCC([NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000341383494 386897425 /nfs/dbraw/zinc/89/74/25/386897425.db2.gz VPAZBYDMPRWHQB-LBPRGKRZSA-N 3 2 234.347 0.882 20 0 BCADLP CN(Cc1[nH+]ccn1C)c1cc[nH+]cc1C(N)=O ZINC000302241625 386920514 /nfs/dbraw/zinc/92/05/14/386920514.db2.gz YCTSWAPLOAZSRV-UHFFFAOYSA-N 2 2 245.286 0.550 20 0 BCADLP [NH3+][C@@H]1CCC[N@H+](CCC(=O)Nc2cccnc2)C1 ZINC000358319318 386932927 /nfs/dbraw/zinc/93/29/27/386932927.db2.gz HPELUFMSAUAYRY-LLVKDONJSA-N 2 2 248.330 0.833 20 0 BCADLP [NH3+][C@@H]1CCC[N@@H+](CCC(=O)Nc2cccnc2)C1 ZINC000358319318 386932929 /nfs/dbraw/zinc/93/29/29/386932929.db2.gz HPELUFMSAUAYRY-LLVKDONJSA-N 2 2 248.330 0.833 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)CCC(=O)Nc1cccnc1 ZINC000358322100 386934055 /nfs/dbraw/zinc/93/40/55/386934055.db2.gz POBQQLOQYNQBCH-SNVBAGLBSA-N 2 2 236.319 0.689 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)CCC(=O)Nc1cccnc1 ZINC000358322100 386934059 /nfs/dbraw/zinc/93/40/59/386934059.db2.gz POBQQLOQYNQBCH-SNVBAGLBSA-N 2 2 236.319 0.689 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000334821874 386952921 /nfs/dbraw/zinc/95/29/21/386952921.db2.gz NKDDPUAXSVHXFZ-PWSUYJOCSA-N 2 2 248.330 0.931 20 0 BCADLP O=C(C1C[NH2+]C1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000368350723 386965034 /nfs/dbraw/zinc/96/50/34/386965034.db2.gz YXSXTTYNARYDAT-SNVBAGLBSA-N 2 2 234.303 0.683 20 0 BCADLP CC(=O)NCC[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000514600449 387007684 /nfs/dbraw/zinc/00/76/84/387007684.db2.gz PKPIWXMCYAMAIA-LBPRGKRZSA-N 2 2 227.352 0.539 20 0 BCADLP CC(=O)NCC[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000514600449 387007688 /nfs/dbraw/zinc/00/76/88/387007688.db2.gz PKPIWXMCYAMAIA-LBPRGKRZSA-N 2 2 227.352 0.539 20 0 BCADLP CC(=O)NCC[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000514600449 387007691 /nfs/dbraw/zinc/00/76/91/387007691.db2.gz PKPIWXMCYAMAIA-LBPRGKRZSA-N 2 2 227.352 0.539 20 0 BCADLP CC(=O)NCC[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000514600449 387007694 /nfs/dbraw/zinc/00/76/94/387007694.db2.gz PKPIWXMCYAMAIA-LBPRGKRZSA-N 2 2 227.352 0.539 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC1(C)C ZINC000518996018 386977839 /nfs/dbraw/zinc/97/78/39/386977839.db2.gz QZOQQWPKPQVTIX-LLVKDONJSA-N 2 2 230.352 0.410 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC1(C)C ZINC000518996018 386977841 /nfs/dbraw/zinc/97/78/41/386977841.db2.gz QZOQQWPKPQVTIX-LLVKDONJSA-N 2 2 230.352 0.410 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC1(C)C ZINC000518996018 386977843 /nfs/dbraw/zinc/97/78/43/386977843.db2.gz QZOQQWPKPQVTIX-LLVKDONJSA-N 2 2 230.352 0.410 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC1(C)C ZINC000518996018 386977846 /nfs/dbraw/zinc/97/78/46/386977846.db2.gz QZOQQWPKPQVTIX-LLVKDONJSA-N 2 2 230.352 0.410 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)CC)C[C@@H](C)O1 ZINC000518995657 386979001 /nfs/dbraw/zinc/97/90/01/386979001.db2.gz DXLLQAJZMDKSAM-FRRDWIJNSA-N 2 2 244.379 0.798 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)CC)C[C@@H](C)O1 ZINC000518995657 386979002 /nfs/dbraw/zinc/97/90/02/386979002.db2.gz DXLLQAJZMDKSAM-FRRDWIJNSA-N 2 2 244.379 0.798 20 0 BCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)CC)C[C@@H](C)O1 ZINC000518995657 386979003 /nfs/dbraw/zinc/97/90/03/386979003.db2.gz DXLLQAJZMDKSAM-FRRDWIJNSA-N 2 2 244.379 0.798 20 0 BCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)CC)C[C@@H](C)O1 ZINC000518995657 386979004 /nfs/dbraw/zinc/97/90/04/386979004.db2.gz DXLLQAJZMDKSAM-FRRDWIJNSA-N 2 2 244.379 0.798 20 0 BCADLP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1([NH3+])CCC1 ZINC000332422360 386980175 /nfs/dbraw/zinc/98/01/75/386980175.db2.gz CXHBVWQQPALXCE-GHMZBOCLSA-N 3 2 211.353 0.975 20 0 BCADLP C[NH+](C)CCCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368649544 386999900 /nfs/dbraw/zinc/99/99/00/386999900.db2.gz GJUSUDKBGJPUIJ-MRVPVSSYSA-N 2 2 235.278 0.052 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000368648658 387000342 /nfs/dbraw/zinc/00/03/42/387000342.db2.gz WKPABQMCNVSCNT-GFCCVEGCSA-N 2 2 248.330 0.378 20 0 BCADLP Cc1cc(NC(=O)N2CC[NH2+][C@@H](C)C2)cc[nH+]1 ZINC000334822095 386951139 /nfs/dbraw/zinc/95/11/39/386951139.db2.gz AXMXCMPNHOMPIF-JTQLQIEISA-N 2 2 234.303 0.638 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N1CC[NH2+]C[C@H]1C ZINC000334821913 386951581 /nfs/dbraw/zinc/95/15/81/386951581.db2.gz OJNABQOWTKPTBV-SNVBAGLBSA-N 2 2 234.303 0.638 20 0 BCADLP c1c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc2ncccn12 ZINC000107855910 387037238 /nfs/dbraw/zinc/03/72/38/387037238.db2.gz RNUVEMNJDYRBRN-PHIMTYICSA-N 2 2 243.314 0.381 20 0 BCADLP c1c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc2ncccn12 ZINC000107855910 387037243 /nfs/dbraw/zinc/03/72/43/387037243.db2.gz RNUVEMNJDYRBRN-PHIMTYICSA-N 2 2 243.314 0.381 20 0 BCADLP C[N@H+](Cc1ccc(C(N)=O)cc1)[C@H](C[NH3+])C1CC1 ZINC000160081154 387040338 /nfs/dbraw/zinc/04/03/38/387040338.db2.gz DHCDCHXQZBDLJL-CYBMUJFWSA-N 2 2 247.342 0.955 20 0 BCADLP C[N@@H+](Cc1ccc(C(N)=O)cc1)[C@H](C[NH3+])C1CC1 ZINC000160081154 387040342 /nfs/dbraw/zinc/04/03/42/387040342.db2.gz DHCDCHXQZBDLJL-CYBMUJFWSA-N 2 2 247.342 0.955 20 0 BCADLP C[C@@H](C[NH3+])[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000161999136 387060184 /nfs/dbraw/zinc/06/01/84/387060184.db2.gz TXJNUOVOUWKPJA-VIFPVBQESA-N 2 2 222.288 0.895 20 0 BCADLP Cn1nnc2cc(C[NH2+][C@@H]3CCC[NH2+]C3)ccc21 ZINC000333115068 387019044 /nfs/dbraw/zinc/01/90/44/387019044.db2.gz HEHFXYGOPYIMGL-LLVKDONJSA-N 2 2 245.330 0.810 20 0 BCADLP CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000333249992 387023596 /nfs/dbraw/zinc/02/35/96/387023596.db2.gz GPAWFUFXIFLRGD-HOSYDEDBSA-N 2 2 239.363 0.631 20 0 BCADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000333282463 387024920 /nfs/dbraw/zinc/02/49/20/387024920.db2.gz MRVIPYMXZGTSPO-TUAOUCFPSA-N 3 2 211.353 0.846 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)C1 ZINC000417403506 387029175 /nfs/dbraw/zinc/02/91/75/387029175.db2.gz NVPNYQDGVILIGG-SDDRHHMPSA-N 2 2 228.336 0.210 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)C1 ZINC000417403506 387029177 /nfs/dbraw/zinc/02/91/77/387029177.db2.gz NVPNYQDGVILIGG-SDDRHHMPSA-N 2 2 228.336 0.210 20 0 BCADLP CCn1c[nH+]cc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000334952065 387029528 /nfs/dbraw/zinc/02/95/28/387029528.db2.gz USCIWNKQIXRUJW-TXEJJXNPSA-N 2 2 234.347 0.896 20 0 BCADLP CCn1c[nH+]cc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000334952065 387029531 /nfs/dbraw/zinc/02/95/31/387029531.db2.gz USCIWNKQIXRUJW-TXEJJXNPSA-N 2 2 234.347 0.896 20 0 BCADLP CCn1cncc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000334952065 387029535 /nfs/dbraw/zinc/02/95/35/387029535.db2.gz USCIWNKQIXRUJW-TXEJJXNPSA-N 2 2 234.347 0.896 20 0 BCADLP CCn1cncc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000334952065 387029536 /nfs/dbraw/zinc/02/95/36/387029536.db2.gz USCIWNKQIXRUJW-TXEJJXNPSA-N 2 2 234.347 0.896 20 0 BCADLP CCn1cncc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000334952065 387029539 /nfs/dbraw/zinc/02/95/39/387029539.db2.gz USCIWNKQIXRUJW-TXEJJXNPSA-N 2 2 234.347 0.896 20 0 BCADLP CCn1cncc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000334952065 387029541 /nfs/dbraw/zinc/02/95/41/387029541.db2.gz USCIWNKQIXRUJW-TXEJJXNPSA-N 2 2 234.347 0.896 20 0 BCADLP O[C@@H]1CC[C@@H]2C[N@H+](CCCn3cc[nH+]c3)C[C@@H]12 ZINC000228112494 387076049 /nfs/dbraw/zinc/07/60/49/387076049.db2.gz GGBIBECZUIAFOW-JHJVBQTASA-N 2 2 235.331 0.976 20 0 BCADLP O[C@@H]1CC[C@@H]2C[N@@H+](CCCn3cc[nH+]c3)C[C@@H]12 ZINC000228112494 387076051 /nfs/dbraw/zinc/07/60/51/387076051.db2.gz GGBIBECZUIAFOW-JHJVBQTASA-N 2 2 235.331 0.976 20 0 BCADLP O[C@@H]1CC[C@H]2C[N@H+](CCCn3cc[nH+]c3)C[C@@H]12 ZINC000228112504 387076723 /nfs/dbraw/zinc/07/67/23/387076723.db2.gz GGBIBECZUIAFOW-YNEHKIRRSA-N 2 2 235.331 0.976 20 0 BCADLP O[C@@H]1CC[C@H]2C[N@@H+](CCCn3cc[nH+]c3)C[C@@H]12 ZINC000228112504 387076729 /nfs/dbraw/zinc/07/67/29/387076729.db2.gz GGBIBECZUIAFOW-YNEHKIRRSA-N 2 2 235.331 0.976 20 0 BCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000334988786 387076865 /nfs/dbraw/zinc/07/68/65/387076865.db2.gz SRDWVIYEIKOZJH-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000334988786 387076868 /nfs/dbraw/zinc/07/68/68/387076868.db2.gz SRDWVIYEIKOZJH-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP CC[C@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000334996804 387087708 /nfs/dbraw/zinc/08/77/08/387087708.db2.gz UYNFIVOIIFGJGW-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP CC[C@H](C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000334996804 387087713 /nfs/dbraw/zinc/08/77/13/387087713.db2.gz UYNFIVOIIFGJGW-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000127233768 387099899 /nfs/dbraw/zinc/09/98/99/387099899.db2.gz FXPOHFLNBCZPGK-GHMZBOCLSA-N 2 2 245.330 0.898 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000127233768 387099903 /nfs/dbraw/zinc/09/99/03/387099903.db2.gz FXPOHFLNBCZPGK-GHMZBOCLSA-N 2 2 245.330 0.898 20 0 BCADLP c1nc2cnccn2c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359456462 387104336 /nfs/dbraw/zinc/10/43/36/387104336.db2.gz GNNNXFDZKZNKJK-GHMZBOCLSA-N 2 2 243.314 0.381 20 0 BCADLP COC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335011202 387106702 /nfs/dbraw/zinc/10/67/02/387106702.db2.gz UVWQENOUVPKMJP-ZYHUDNBSSA-N 2 2 226.320 0.623 20 0 BCADLP COC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335011202 387106709 /nfs/dbraw/zinc/10/67/09/387106709.db2.gz UVWQENOUVPKMJP-ZYHUDNBSSA-N 2 2 226.320 0.623 20 0 BCADLP C[N@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000250352443 387114550 /nfs/dbraw/zinc/11/45/50/387114550.db2.gz AWJZSWZWQACVSW-QWRGUYRKSA-N 2 2 246.376 0.105 20 0 BCADLP C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000250352443 387114554 /nfs/dbraw/zinc/11/45/54/387114554.db2.gz AWJZSWZWQACVSW-QWRGUYRKSA-N 2 2 246.376 0.105 20 0 BCADLP C/C=C\C[C@H](CO)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336766960 387126944 /nfs/dbraw/zinc/12/69/44/387126944.db2.gz SPXXHSSOLIGTJM-QKPYMPQASA-N 2 2 212.337 0.853 20 0 BCADLP C/C=C\C[C@H](CO)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336766960 387126947 /nfs/dbraw/zinc/12/69/47/387126947.db2.gz SPXXHSSOLIGTJM-QKPYMPQASA-N 2 2 212.337 0.853 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]CC1(OC)CCCC1 ZINC000359677847 387144901 /nfs/dbraw/zinc/14/49/01/387144901.db2.gz ONRVCOPWVHHBKC-UHFFFAOYSA-N 2 2 244.379 0.849 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]CC1(OC)CCCC1 ZINC000359677847 387144906 /nfs/dbraw/zinc/14/49/06/387144906.db2.gz ONRVCOPWVHHBKC-UHFFFAOYSA-N 2 2 244.379 0.849 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ncnn1C ZINC000353336868 387183204 /nfs/dbraw/zinc/18/32/04/387183204.db2.gz OXCVGWITQIDREW-DCAQKATOSA-N 2 2 237.351 0.948 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ncnn1C ZINC000353336868 387183207 /nfs/dbraw/zinc/18/32/07/387183207.db2.gz OXCVGWITQIDREW-DCAQKATOSA-N 2 2 237.351 0.948 20 0 BCADLP CN(C)c1[nH+]cccc1CNC(=O)C1(C)C[NH2+]C1 ZINC000423339039 387187873 /nfs/dbraw/zinc/18/78/73/387187873.db2.gz WHMDCMACYSJVOR-UHFFFAOYSA-N 2 2 248.330 0.373 20 0 BCADLP C[NH2+]CCCN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062973801 387190133 /nfs/dbraw/zinc/19/01/33/387190133.db2.gz AKERNQVAZZFHDL-LBPRGKRZSA-N 2 2 227.352 0.002 20 0 BCADLP [NH3+]C[C@H]1CCCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423303859 387137059 /nfs/dbraw/zinc/13/70/59/387137059.db2.gz MRVIPYMXZGTSPO-GRYCIOLGSA-N 3 2 211.353 0.846 20 0 BCADLP C[C@@H]1C[C@H](NCC(F)(F)C[NH3+])C[N@@H+]1C1CC1 ZINC000423350582 387203596 /nfs/dbraw/zinc/20/35/96/387203596.db2.gz ZTYGATIIRQFUHB-BDAKNGLRSA-N 2 2 233.306 0.795 20 0 BCADLP C[C@@H]1C[C@H](NCC(F)(F)C[NH3+])C[N@H+]1C1CC1 ZINC000423350582 387203599 /nfs/dbraw/zinc/20/35/99/387203599.db2.gz ZTYGATIIRQFUHB-BDAKNGLRSA-N 2 2 233.306 0.795 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423357126 387207747 /nfs/dbraw/zinc/20/77/47/387207747.db2.gz HUJDKORRHKQFJS-FDYHWXHSSA-N 3 2 241.379 0.341 20 0 BCADLP CC[C@H](Cn1cncn1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423355951 387208672 /nfs/dbraw/zinc/20/86/72/387208672.db2.gz GBJVKQLZAAWCGH-QJPTWQEYSA-N 2 2 237.351 0.644 20 0 BCADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC(C)C ZINC000093158939 387217219 /nfs/dbraw/zinc/21/72/19/387217219.db2.gz DMWNCBASRYYQAQ-UHFFFAOYSA-N 2 2 241.379 0.738 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CCCN1C(=O)C[NH+](C)C ZINC000371662937 387237427 /nfs/dbraw/zinc/23/74/27/387237427.db2.gz AZGPOQNLCDIKJC-SNVBAGLBSA-N 2 2 236.319 0.645 20 0 BCADLP Cc1cc(CNC(=O)NC[C@@H](C)[NH3+])cc(C)[nH+]1 ZINC000643438730 387239709 /nfs/dbraw/zinc/23/97/09/387239709.db2.gz CJDAONYMRPJHKM-MRVPVSSYSA-N 2 2 236.319 0.845 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccn(C)n2)CC[N@@H+]1C ZINC000097604738 387251054 /nfs/dbraw/zinc/25/10/54/387251054.db2.gz ICGDEIDLIZWORE-MNOVXSKESA-N 2 2 222.336 0.992 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccn(C)n2)CC[N@H+]1C ZINC000097604738 387251059 /nfs/dbraw/zinc/25/10/59/387251059.db2.gz ICGDEIDLIZWORE-MNOVXSKESA-N 2 2 222.336 0.992 20 0 BCADLP CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cnn(C)c1 ZINC000423428910 387254941 /nfs/dbraw/zinc/25/49/41/387254941.db2.gz JSRINFGUKYJZHR-KXNHARMFSA-N 2 2 220.320 0.679 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@]2(C)CCOC2)n1C ZINC000572180072 387256883 /nfs/dbraw/zinc/25/68/83/387256883.db2.gz MVEOXZBPBGXSBJ-LLVKDONJSA-N 2 2 209.293 0.997 20 0 BCADLP C[NH2+][C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000423387838 387272333 /nfs/dbraw/zinc/27/23/33/387272333.db2.gz KEWAWQUWCVOZFK-WISYIIOYSA-N 3 2 213.369 0.913 20 0 BCADLP C[NH2+][C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000423387838 387272335 /nfs/dbraw/zinc/27/23/35/387272335.db2.gz KEWAWQUWCVOZFK-WISYIIOYSA-N 3 2 213.369 0.913 20 0 BCADLP COC[C@H](O)CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000231632734 387278946 /nfs/dbraw/zinc/27/89/46/387278946.db2.gz SMGCIBDGQJKOLF-NTZNESFSSA-N 2 2 242.363 0.599 20 0 BCADLP COC[C@H](O)CC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000231632734 387278949 /nfs/dbraw/zinc/27/89/49/387278949.db2.gz SMGCIBDGQJKOLF-NTZNESFSSA-N 2 2 242.363 0.599 20 0 BCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000353811796 387280251 /nfs/dbraw/zinc/28/02/51/387280251.db2.gz FBUDNHAGPKEZOS-MNOVXSKESA-N 2 2 236.319 0.660 20 0 BCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000353811796 387280257 /nfs/dbraw/zinc/28/02/57/387280257.db2.gz FBUDNHAGPKEZOS-MNOVXSKESA-N 2 2 236.319 0.660 20 0 BCADLP Cc1occc1C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000321617165 387283341 /nfs/dbraw/zinc/28/33/41/387283341.db2.gz ZWUKZFJCEAKKAP-CYBMUJFWSA-N 2 2 237.347 0.923 20 0 BCADLP Cc1occc1C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000321617165 387283347 /nfs/dbraw/zinc/28/33/47/387283347.db2.gz ZWUKZFJCEAKKAP-CYBMUJFWSA-N 2 2 237.347 0.923 20 0 BCADLP c1cn(CC[N@@H+]2CCO[C@@H](C3CC3)C2)c[nH+]1 ZINC000372265774 387286623 /nfs/dbraw/zinc/28/66/23/387286623.db2.gz BWHCNTUPZNERIL-GFCCVEGCSA-N 2 2 221.304 0.994 20 0 BCADLP c1cn(CC[N@H+]2CCO[C@@H](C3CC3)C2)c[nH+]1 ZINC000372265774 387286627 /nfs/dbraw/zinc/28/66/27/387286627.db2.gz BWHCNTUPZNERIL-GFCCVEGCSA-N 2 2 221.304 0.994 20 0 BCADLP Cn1nncc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352535063 387290079 /nfs/dbraw/zinc/29/00/79/387290079.db2.gz LYEFVRUCTUXKSR-LBPRGKRZSA-N 2 2 235.335 0.391 20 0 BCADLP Cn1nncc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352535063 387290083 /nfs/dbraw/zinc/29/00/83/387290083.db2.gz LYEFVRUCTUXKSR-LBPRGKRZSA-N 2 2 235.335 0.391 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000514795518 387292827 /nfs/dbraw/zinc/29/28/27/387292827.db2.gz VIZMHCACOZEQJV-FRRDWIJNSA-N 2 2 244.379 0.798 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000514795518 387292832 /nfs/dbraw/zinc/29/28/32/387292832.db2.gz VIZMHCACOZEQJV-FRRDWIJNSA-N 2 2 244.379 0.798 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000514795518 387292834 /nfs/dbraw/zinc/29/28/34/387292834.db2.gz VIZMHCACOZEQJV-FRRDWIJNSA-N 2 2 244.379 0.798 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000514795518 387292838 /nfs/dbraw/zinc/29/28/38/387292838.db2.gz VIZMHCACOZEQJV-FRRDWIJNSA-N 2 2 244.379 0.798 20 0 BCADLP COC[C@@H](C)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000648647450 387295483 /nfs/dbraw/zinc/29/54/83/387295483.db2.gz IZZGWOWCVGABKO-QWHCGFSZSA-N 2 2 244.379 0.705 20 0 BCADLP COC[C@@H](C)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000648647450 387295486 /nfs/dbraw/zinc/29/54/86/387295486.db2.gz IZZGWOWCVGABKO-QWHCGFSZSA-N 2 2 244.379 0.705 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H]2C[C@@](C)(O)C2)n1C ZINC000515312037 387359702 /nfs/dbraw/zinc/35/97/02/387359702.db2.gz CTCPHQWFXTZERR-JGZJWPJOSA-N 2 2 209.293 0.732 20 0 BCADLP CS[C@@H](C)CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000515302185 387360428 /nfs/dbraw/zinc/36/04/28/387360428.db2.gz LRTJDKOURNKXIT-UWVGGRQHSA-N 2 2 245.392 0.229 20 0 BCADLP CS[C@@H](C)CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000515302185 387360436 /nfs/dbraw/zinc/36/04/36/387360436.db2.gz LRTJDKOURNKXIT-UWVGGRQHSA-N 2 2 245.392 0.229 20 0 BCADLP CS(=O)(=O)CCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000303620496 387384382 /nfs/dbraw/zinc/38/43/82/387384382.db2.gz CKULCEUAXZNFRK-LLVKDONJSA-N 2 2 246.376 0.107 20 0 BCADLP CS(=O)(=O)CCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000303620496 387384384 /nfs/dbraw/zinc/38/43/84/387384384.db2.gz CKULCEUAXZNFRK-LLVKDONJSA-N 2 2 246.376 0.107 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423545753 387367595 /nfs/dbraw/zinc/36/75/95/387367595.db2.gz PEPVRGHOUUHYDR-KSTCHIGDSA-N 3 2 237.391 0.914 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423545753 387367598 /nfs/dbraw/zinc/36/75/98/387367598.db2.gz PEPVRGHOUUHYDR-KSTCHIGDSA-N 3 2 237.391 0.914 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC(C(C)(C)O)C1 ZINC000515432657 387378766 /nfs/dbraw/zinc/37/87/66/387378766.db2.gz IUASIWBMNGMCTJ-GFCCVEGCSA-N 2 2 244.379 0.390 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC(C(C)(C)O)C1 ZINC000515432657 387378769 /nfs/dbraw/zinc/37/87/69/387378769.db2.gz IUASIWBMNGMCTJ-GFCCVEGCSA-N 2 2 244.379 0.390 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423572701 387381363 /nfs/dbraw/zinc/38/13/63/387381363.db2.gz YOTFTBCJPDEFES-JQWIXIFHSA-N 3 2 211.353 0.716 20 0 BCADLP CC[C@H]([NH3+])C[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000423479933 387327209 /nfs/dbraw/zinc/32/72/09/387327209.db2.gz VQCVKAFCXLSNMC-JBLDHEPKSA-N 2 2 211.353 0.796 20 0 BCADLP CO[C@@H]1C[NH+](Cc2cc[nH+]c(N)c2)C[C@H]1OC ZINC000234885239 387327334 /nfs/dbraw/zinc/32/73/34/387327334.db2.gz LBOKOBKYLHHWOP-GHMZBOCLSA-N 2 2 237.303 0.509 20 0 BCADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423504952 387343315 /nfs/dbraw/zinc/34/33/15/387343315.db2.gz GHCQDSGJHLJONT-CHWSQXEVSA-N 2 2 248.374 0.944 20 0 BCADLP Cn1ncc2c1nc[nH+]c2NCC(F)(F)C[NH3+] ZINC000162661393 387347271 /nfs/dbraw/zinc/34/72/71/387347271.db2.gz RPLKVKZRMQRDOM-UHFFFAOYSA-N 2 2 242.233 0.369 20 0 BCADLP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360819708 387353557 /nfs/dbraw/zinc/35/35/57/387353557.db2.gz UHHYTGNPCZOMAK-HTQZYQBOSA-N 2 2 235.278 0.083 20 0 BCADLP C[C@@H]([NH2+]CC(=O)NC1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000643469797 387428462 /nfs/dbraw/zinc/42/84/62/387428462.db2.gz PMBPSAOXLZISSJ-PWSUYJOCSA-N 2 2 239.363 0.775 20 0 BCADLP O=C(C[NH2+]CC1CC1)NCCNc1cccc[nH+]1 ZINC000515837770 387432983 /nfs/dbraw/zinc/43/29/83/387432983.db2.gz BWISDVPYTONKGC-UHFFFAOYSA-N 2 2 248.330 0.609 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000521446765 387448657 /nfs/dbraw/zinc/44/86/57/387448657.db2.gz NXIPPDFLBMMYPJ-LPEHRKFASA-N 2 2 216.350 0.540 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000521446765 387448659 /nfs/dbraw/zinc/44/86/59/387448659.db2.gz NXIPPDFLBMMYPJ-LPEHRKFASA-N 2 2 216.350 0.540 20 0 BCADLP COC[C@@H](O)C[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000304282918 387457463 /nfs/dbraw/zinc/45/74/63/387457463.db2.gz HTAIXZLGWCBHPD-LBPRGKRZSA-N 2 2 249.314 0.740 20 0 BCADLP CC[N@H+](CC[NH2+]C(C)(C)C)CCOCCO ZINC000304289272 387458702 /nfs/dbraw/zinc/45/87/02/387458702.db2.gz YSEOBXUTIYGCJN-UHFFFAOYSA-N 2 2 232.368 0.705 20 0 BCADLP CC[N@@H+](CC[NH2+]C(C)(C)C)CCOCCO ZINC000304289272 387458705 /nfs/dbraw/zinc/45/87/05/387458705.db2.gz YSEOBXUTIYGCJN-UHFFFAOYSA-N 2 2 232.368 0.705 20 0 BCADLP [NH3+][C@@H](C(=O)N1CCC[C@@H]([NH3+])C1)c1cscn1 ZINC000515483535 387386678 /nfs/dbraw/zinc/38/66/78/387386678.db2.gz RTEHJCBIEDKEMA-VXNVDRBHSA-N 2 2 240.332 0.093 20 0 BCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)C1CC1 ZINC000361220947 387417854 /nfs/dbraw/zinc/41/78/54/387417854.db2.gz PIBNKROJONHCCJ-CMPLNLGQSA-N 2 2 239.363 0.714 20 0 BCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)C1CC1 ZINC000361220947 387417857 /nfs/dbraw/zinc/41/78/57/387417857.db2.gz PIBNKROJONHCCJ-CMPLNLGQSA-N 2 2 239.363 0.714 20 0 BCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)C1CC1 ZINC000361220950 387418412 /nfs/dbraw/zinc/41/84/12/387418412.db2.gz PIBNKROJONHCCJ-ZYHUDNBSSA-N 2 2 239.363 0.714 20 0 BCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)C1CC1 ZINC000361220950 387418417 /nfs/dbraw/zinc/41/84/17/387418417.db2.gz PIBNKROJONHCCJ-ZYHUDNBSSA-N 2 2 239.363 0.714 20 0 BCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643506110 387466273 /nfs/dbraw/zinc/46/62/73/387466273.db2.gz KUDGOMZXLRJNQD-LLVKDONJSA-N 2 2 241.379 0.975 20 0 BCADLP CCc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cn1 ZINC000352739608 387466506 /nfs/dbraw/zinc/46/65/06/387466506.db2.gz PNBJEVQIUOLWEI-AWEZNQCLSA-N 2 2 249.358 0.800 20 0 BCADLP CCc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cn1 ZINC000352739608 387466509 /nfs/dbraw/zinc/46/65/09/387466509.db2.gz PNBJEVQIUOLWEI-AWEZNQCLSA-N 2 2 249.358 0.800 20 0 BCADLP CO[C@H]1C[NH+](Cc2cc[nH+]c(N)c2)C[C@@H]1OC ZINC000300045442 387481144 /nfs/dbraw/zinc/48/11/44/387481144.db2.gz LBOKOBKYLHHWOP-QWRGUYRKSA-N 2 2 237.303 0.509 20 0 BCADLP Cc1cn2c(n1)C[N@@H+](CCn1cc[nH+]c1)CC2 ZINC000374714379 387486220 /nfs/dbraw/zinc/48/62/20/387486220.db2.gz MGTKORMWGZKMCX-UHFFFAOYSA-N 2 2 231.303 0.904 20 0 BCADLP Cc1cn2c(n1)C[N@H+](CCn1cc[nH+]c1)CC2 ZINC000374714379 387486222 /nfs/dbraw/zinc/48/62/22/387486222.db2.gz MGTKORMWGZKMCX-UHFFFAOYSA-N 2 2 231.303 0.904 20 0 BCADLP COC[C@@H](O)C[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000305223345 387584066 /nfs/dbraw/zinc/58/40/66/387584066.db2.gz URMTXANSDLIBAU-LBPRGKRZSA-N 2 2 249.314 0.740 20 0 BCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)NCC1CC1 ZINC000123722469 387591298 /nfs/dbraw/zinc/59/12/98/387591298.db2.gz GLNSRWVIBJBJPX-LBPRGKRZSA-N 2 2 241.379 0.818 20 0 BCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)NCC1CC1 ZINC000123722469 387591304 /nfs/dbraw/zinc/59/13/04/387591304.db2.gz GLNSRWVIBJBJPX-LBPRGKRZSA-N 2 2 241.379 0.818 20 0 BCADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@@H](CO)C2)n1C ZINC000362287879 387592036 /nfs/dbraw/zinc/59/20/36/387592036.db2.gz VQJZNOUAKPYVPO-SNVBAGLBSA-N 2 2 238.335 0.300 20 0 BCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@@H](CO)C2)n1C ZINC000362287879 387592041 /nfs/dbraw/zinc/59/20/41/387592041.db2.gz VQJZNOUAKPYVPO-SNVBAGLBSA-N 2 2 238.335 0.300 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000362297720 387594591 /nfs/dbraw/zinc/59/45/91/387594591.db2.gz DCDZISCWTNFNFS-NXEZZACHSA-N 2 2 240.351 0.999 20 0 BCADLP CO[C@@H](C)[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000362297721 387595365 /nfs/dbraw/zinc/59/53/65/387595365.db2.gz DCDZISCWTNFNFS-UWVGGRQHSA-N 2 2 240.351 0.999 20 0 BCADLP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H](C)C[NH3+])C2 ZINC000375977556 387599059 /nfs/dbraw/zinc/59/90/59/387599059.db2.gz YKHDCBMZAFVGRI-WCBMZHEXSA-N 2 2 236.319 0.217 20 0 BCADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nnnn2C)C[C@H]1C[NH3+] ZINC000422642787 387609979 /nfs/dbraw/zinc/60/99/79/387609979.db2.gz ZZBTULHDLNWHSF-KXUCPTDWSA-N 2 2 238.339 0.015 20 0 BCADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nnnn2C)C[C@H]1C[NH3+] ZINC000422642787 387609983 /nfs/dbraw/zinc/60/99/83/387609983.db2.gz ZZBTULHDLNWHSF-KXUCPTDWSA-N 2 2 238.339 0.015 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1COCCO1)[C@H]1CCCC[NH2+]1 ZINC000422708556 387622449 /nfs/dbraw/zinc/62/24/49/387622449.db2.gz JDQQBVMYAYVZEV-IJLUTSLNSA-N 2 2 228.336 0.522 20 0 BCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccncc1 ZINC000037889165 387566771 /nfs/dbraw/zinc/56/67/71/387566771.db2.gz ZLEUIBUOCKWFFF-PWSUYJOCSA-N 2 2 223.320 0.655 20 0 BCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N(C)C1CC1 ZINC000430581984 387630835 /nfs/dbraw/zinc/63/08/35/387630835.db2.gz VPOQLDMNKCKTGD-GFCCVEGCSA-N 2 2 227.352 0.570 20 0 BCADLP C[NH2+][C@@H]1CC[N@H+](CCC(=O)NC2CCCC2)C1 ZINC000430605890 387633844 /nfs/dbraw/zinc/63/38/44/387633844.db2.gz SYMUSWPOYLAFCE-GFCCVEGCSA-N 2 2 239.363 0.729 20 0 BCADLP C[NH2+][C@@H]1CC[N@@H+](CCC(=O)NC2CCCC2)C1 ZINC000430605890 387633848 /nfs/dbraw/zinc/63/38/48/387633848.db2.gz SYMUSWPOYLAFCE-GFCCVEGCSA-N 2 2 239.363 0.729 20 0 BCADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)Nc2ccncc2)C1 ZINC000430626860 387635944 /nfs/dbraw/zinc/63/59/44/387635944.db2.gz MKTQUZNMPNCGNR-NSHDSACASA-N 2 2 248.330 0.113 20 0 BCADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccncc2)C1 ZINC000430626860 387635948 /nfs/dbraw/zinc/63/59/48/387635948.db2.gz MKTQUZNMPNCGNR-NSHDSACASA-N 2 2 248.330 0.113 20 0 BCADLP C[C@@H]([NH3+])CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000430694713 387639642 /nfs/dbraw/zinc/63/96/42/387639642.db2.gz KZDVMNGCMNMTRO-VHSXEESVSA-N 2 2 224.308 0.373 20 0 BCADLP COCC[NH2+]CC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000643517178 387640062 /nfs/dbraw/zinc/64/00/62/387640062.db2.gz GEAGVLPCDNVJMY-NEPJUHHUSA-N 2 2 230.352 0.770 20 0 BCADLP CCCNC(=O)CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422734595 387642502 /nfs/dbraw/zinc/64/25/02/387642502.db2.gz UCLAFGAKDIEAQN-WDEREUQCSA-N 2 2 227.352 0.490 20 0 BCADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])[N@H+](C)C1CC1 ZINC000422738354 387645251 /nfs/dbraw/zinc/64/52/51/387645251.db2.gz JOIBROQQBKTSFF-ADEWGFFLSA-N 3 2 211.353 0.939 20 0 BCADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])[N@@H+](C)C1CC1 ZINC000422738354 387645253 /nfs/dbraw/zinc/64/52/53/387645253.db2.gz JOIBROQQBKTSFF-ADEWGFFLSA-N 3 2 211.353 0.939 20 0 BCADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])[N@H+](C)C1CC1 ZINC000422738358 387646739 /nfs/dbraw/zinc/64/67/39/387646739.db2.gz JOIBROQQBKTSFF-YUSALJHKSA-N 3 2 211.353 0.939 20 0 BCADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])[N@@H+](C)C1CC1 ZINC000422738358 387646743 /nfs/dbraw/zinc/64/67/43/387646743.db2.gz JOIBROQQBKTSFF-YUSALJHKSA-N 3 2 211.353 0.939 20 0 BCADLP CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000430918093 387660794 /nfs/dbraw/zinc/66/07/94/387660794.db2.gz LUUWHKODCUIZOT-SECBINFHSA-N 2 2 236.319 0.525 20 0 BCADLP CCc1cc(=O)[nH]c(C[N@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000430918093 387660800 /nfs/dbraw/zinc/66/08/00/387660800.db2.gz LUUWHKODCUIZOT-SECBINFHSA-N 2 2 236.319 0.525 20 0 BCADLP C[NH2+]C1CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC000430965413 387664652 /nfs/dbraw/zinc/66/46/52/387664652.db2.gz JDLDKTDFCMUGCY-NSHDSACASA-N 2 2 241.379 0.926 20 0 BCADLP CCNC(=O)[C@@H](C)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422774852 387672693 /nfs/dbraw/zinc/67/26/93/387672693.db2.gz YRQQXDJFDKZZCU-GMTAPVOTSA-N 2 2 227.352 0.631 20 0 BCADLP CCNC(=O)[C@@H](C)[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422774854 387673173 /nfs/dbraw/zinc/67/31/73/387673173.db2.gz YRQQXDJFDKZZCU-MXWKQRLJSA-N 2 2 227.352 0.631 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@H](O)[C@H]2CCCO2)n1C ZINC000527757777 387696535 /nfs/dbraw/zinc/69/65/35/387696535.db2.gz ROOHDMNVQPRELY-NWDGAFQWSA-N 2 2 239.319 0.358 20 0 BCADLP C[N@H+](CC1(C)COC1)C1CC[NH+](CCO)CC1 ZINC000441315857 387743822 /nfs/dbraw/zinc/74/38/22/387743822.db2.gz CQGWTECXGAFSHD-UHFFFAOYSA-N 2 2 242.363 0.411 20 0 BCADLP C[N@@H+](CC1(C)COC1)C1CC[NH+](CCO)CC1 ZINC000441315857 387743826 /nfs/dbraw/zinc/74/38/26/387743826.db2.gz CQGWTECXGAFSHD-UHFFFAOYSA-N 2 2 242.363 0.411 20 0 BCADLP Cn1cc[nH+]c1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000128422640 387745484 /nfs/dbraw/zinc/74/54/84/387745484.db2.gz VFMYOLSHCQHKTC-WDEREUQCSA-N 2 2 220.320 0.604 20 0 BCADLP CC[N@@H+](CC(=O)NC1C[NH+](C(C)C)C1)C1CC1 ZINC000431394295 387706008 /nfs/dbraw/zinc/70/60/08/387706008.db2.gz XRGGXTGJESNMEJ-UHFFFAOYSA-N 2 2 239.363 0.680 20 0 BCADLP C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)[C@@H]1CCC[NH2+]1 ZINC000422833130 387726365 /nfs/dbraw/zinc/72/63/65/387726365.db2.gz YLZVFYAZWRVZDY-VWYCJHECSA-N 2 2 225.336 0.337 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313272847 387737016 /nfs/dbraw/zinc/73/70/16/387737016.db2.gz RRSWRBMLZGOHON-NXEZZACHSA-N 2 2 211.309 0.976 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000129166982 387764169 /nfs/dbraw/zinc/76/41/69/387764169.db2.gz VHXQEZBMLBCMGJ-GMTAPVOTSA-N 2 2 225.336 0.276 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000129166982 387764174 /nfs/dbraw/zinc/76/41/74/387764174.db2.gz VHXQEZBMLBCMGJ-GMTAPVOTSA-N 2 2 225.336 0.276 20 0 BCADLP C[C@H](C(N)=O)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000129166982 387764176 /nfs/dbraw/zinc/76/41/76/387764176.db2.gz VHXQEZBMLBCMGJ-GMTAPVOTSA-N 2 2 225.336 0.276 20 0 BCADLP C[C@H](C(N)=O)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000129166982 387764179 /nfs/dbraw/zinc/76/41/79/387764179.db2.gz VHXQEZBMLBCMGJ-GMTAPVOTSA-N 2 2 225.336 0.276 20 0 BCADLP CCOCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129500287 387770567 /nfs/dbraw/zinc/77/05/67/387770567.db2.gz DIPWJNKEBBOQNN-CYBMUJFWSA-N 2 2 242.363 0.677 20 0 BCADLP CCOCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129500287 387770568 /nfs/dbraw/zinc/77/05/68/387770568.db2.gz DIPWJNKEBBOQNN-CYBMUJFWSA-N 2 2 242.363 0.677 20 0 BCADLP C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000422916867 387773461 /nfs/dbraw/zinc/77/34/61/387773461.db2.gz BTEKEDZEIRUYOI-JBLDHEPKSA-N 2 2 237.347 0.480 20 0 BCADLP CCc1nn(C)cc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422985342 387795154 /nfs/dbraw/zinc/79/51/54/387795154.db2.gz DGQKOSYDZLVLKL-JQWIXIFHSA-N 2 2 222.336 0.952 20 0 BCADLP CC(C)[C@H](O)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422987120 387796578 /nfs/dbraw/zinc/79/65/78/387796578.db2.gz FIXFIXOYGXNHDD-FRRDWIJNSA-N 2 2 242.363 0.360 20 0 BCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000527982439 387800372 /nfs/dbraw/zinc/80/03/72/387800372.db2.gz RLSDEMXEWJYZSA-SNVBAGLBSA-N 2 2 247.302 0.593 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@]1(O)CCSC1 ZINC000422991008 387800825 /nfs/dbraw/zinc/80/08/25/387800825.db2.gz CEABJHNHEXFHBP-OUAUKWLOSA-N 2 2 230.377 0.442 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H](O)COCC1CC1 ZINC000422973454 387820898 /nfs/dbraw/zinc/82/08/98/387820898.db2.gz OSIQSKKUHCNTKN-RAIGVLPGSA-N 2 2 242.363 0.362 20 0 BCADLP CC(C)OCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423034838 387848470 /nfs/dbraw/zinc/84/84/70/387848470.db2.gz INXYKMKABLDWTK-OLZOCXBDSA-N 2 2 242.363 0.768 20 0 BCADLP CC[C@H]([NH2+]CC(=O)NCC1CC1)[C@@H]1CCC[NH2+]1 ZINC000423037822 387851959 /nfs/dbraw/zinc/85/19/59/387851959.db2.gz CAUCDNOOQGRVLC-RYUDHWBXSA-N 2 2 239.363 0.633 20 0 BCADLP CC(C)(O)CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423057976 387864706 /nfs/dbraw/zinc/86/47/06/387864706.db2.gz BDJDNYKHVJUTAE-VXGBXAGGSA-N 2 2 242.363 0.504 20 0 BCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424173773 387872614 /nfs/dbraw/zinc/87/26/14/387872614.db2.gz OPFAKMRTNDDCHR-ZJUUUORDSA-N 2 2 222.292 0.079 20 0 BCADLP CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@H](C)[NH3+])CC2 ZINC000442657748 387814236 /nfs/dbraw/zinc/81/42/36/387814236.db2.gz HPHUUMGTHHIVOZ-SDDRHHMPSA-N 2 2 242.363 0.586 20 0 BCADLP C[C@H]([NH3+])CN1CC[NH+](Cc2ccccn2)CC1 ZINC000442662328 387816339 /nfs/dbraw/zinc/81/63/39/387816339.db2.gz QDWYEYTVBCOQLG-LBPRGKRZSA-N 2 2 234.347 0.546 20 0 BCADLP C[C@H]([NH3+])C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000442665015 387816511 /nfs/dbraw/zinc/81/65/11/387816511.db2.gz NOFWMJQWNTWJJI-NSHDSACASA-N 2 2 239.363 0.668 20 0 BCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H](C)[NH3+])C1 ZINC000442665489 387817626 /nfs/dbraw/zinc/81/76/26/387817626.db2.gz MNUBSBOCUCZYII-STQMWFEESA-N 3 2 243.395 0.766 20 0 BCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000442665489 387817629 /nfs/dbraw/zinc/81/76/29/387817629.db2.gz MNUBSBOCUCZYII-STQMWFEESA-N 3 2 243.395 0.766 20 0 BCADLP Cc1nc(C[C@@H]2CCC[N@@H+](C[C@H](C)[NH3+])C2)no1 ZINC000442665765 387819674 /nfs/dbraw/zinc/81/96/74/387819674.db2.gz NUTDYJAYRGZJMY-ONGXEEELSA-N 2 2 238.335 0.980 20 0 BCADLP Cc1nc(C[C@@H]2CCC[N@H+](C[C@H](C)[NH3+])C2)no1 ZINC000442665765 387819677 /nfs/dbraw/zinc/81/96/77/387819677.db2.gz NUTDYJAYRGZJMY-ONGXEEELSA-N 2 2 238.335 0.980 20 0 BCADLP C[C@@H]([NH2+][C@H](C)[C@H]1CCCC[NH2+]1)C(=O)NCCF ZINC000423116765 387897931 /nfs/dbraw/zinc/89/79/31/387897931.db2.gz RLLLHZCWECUNLI-GMTAPVOTSA-N 2 2 245.342 0.581 20 0 BCADLP CC(C)OC[C@H](CO)[N@H+](C)CCn1cc[nH+]c1 ZINC000433165994 387875436 /nfs/dbraw/zinc/87/54/36/387875436.db2.gz DQGPZZITQMIKOG-LBPRGKRZSA-N 2 2 241.335 0.601 20 0 BCADLP CC(C)OC[C@H](CO)[N@@H+](C)CCn1cc[nH+]c1 ZINC000433165994 387875440 /nfs/dbraw/zinc/87/54/40/387875440.db2.gz DQGPZZITQMIKOG-LBPRGKRZSA-N 2 2 241.335 0.601 20 0 BCADLP CC[C@@H]([NH2+]CC(=O)NCC(F)F)[C@@H]1CCC[NH2+]1 ZINC000423092573 387882825 /nfs/dbraw/zinc/88/28/25/387882825.db2.gz CKOHHZLFYZPUTD-BDAKNGLRSA-N 2 2 249.305 0.488 20 0 BCADLP C1CC1[C@@H]([NH2+][C@H]1CCCOC1)[C@@H]1C[NH2+]CCO1 ZINC000423121064 387900319 /nfs/dbraw/zinc/90/03/19/387900319.db2.gz HZJMTCUKTLYTIL-RWMBFGLXSA-N 2 2 240.347 0.522 20 0 BCADLP C1CC1[C@@H]([NH2+][C@H]1CCCOC1)[C@H]1C[NH2+]CCO1 ZINC000423121066 387900339 /nfs/dbraw/zinc/90/03/39/387900339.db2.gz HZJMTCUKTLYTIL-YNEHKIRRSA-N 2 2 240.347 0.522 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)C1CC1 ZINC000423134364 387912096 /nfs/dbraw/zinc/91/20/96/387912096.db2.gz MAXLZJSWJFTYJH-MVWJERBFSA-N 2 2 212.337 0.999 20 0 BCADLP Cn1c[nH+]cc1C[NH2+]CC(=O)NCc1ccco1 ZINC000237923042 387929858 /nfs/dbraw/zinc/92/98/58/387929858.db2.gz JTLSDEMEZRRHOK-UHFFFAOYSA-N 2 2 248.286 0.419 20 0 BCADLP CCN1C[C@@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)CC1=O ZINC000423154920 387934694 /nfs/dbraw/zinc/93/46/94/387934694.db2.gz PPVZSKFQNDOZGJ-UWVGGRQHSA-N 2 2 248.330 0.766 20 0 BCADLP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)C(=O)NC ZINC000423157129 387936571 /nfs/dbraw/zinc/93/65/71/387936571.db2.gz AJXFHMHFTJNCIF-DCAQKATOSA-N 2 2 227.352 0.631 20 0 BCADLP CCN1C[C@@H]([NH2+][C@H](C)[C@H]2CCCC[NH2+]2)CC1=O ZINC000423157756 387936604 /nfs/dbraw/zinc/93/66/04/387936604.db2.gz VQGIZYFIAIPEIA-GRYCIOLGSA-N 2 2 239.363 0.727 20 0 BCADLP CCN1C[C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CC1=O ZINC000423148498 387926173 /nfs/dbraw/zinc/92/61/73/387926173.db2.gz GEMOXHIXGNWUQU-VWYCJHECSA-N 2 2 225.336 0.337 20 0 BCADLP CN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1=O ZINC000424289099 387952644 /nfs/dbraw/zinc/95/26/44/387952644.db2.gz LMWKVSHEQHFZPJ-OPRDCNLKSA-N 2 2 211.309 0.077 20 0 BCADLP CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423161048 387943761 /nfs/dbraw/zinc/94/37/61/387943761.db2.gz NCMOMTGRPFIPJI-WRWGMCAJSA-N 2 2 228.336 0.520 20 0 BCADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)C(=O)NC ZINC000423161823 387944170 /nfs/dbraw/zinc/94/41/70/387944170.db2.gz JTDAAVOKOAOJCR-KXUCPTDWSA-N 2 2 213.325 0.099 20 0 BCADLP C([NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@H]1CCCO1 ZINC000423164334 387945656 /nfs/dbraw/zinc/94/56/56/387945656.db2.gz WUIIKNUQFHFSLU-FRRDWIJNSA-N 2 2 240.347 0.522 20 0 BCADLP COC[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000245450671 387949897 /nfs/dbraw/zinc/94/98/97/387949897.db2.gz OVVFYJSJNPDDFT-OLZOCXBDSA-N 2 2 242.363 0.675 20 0 BCADLP COC[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000245450671 387949900 /nfs/dbraw/zinc/94/99/00/387949900.db2.gz OVVFYJSJNPDDFT-OLZOCXBDSA-N 2 2 242.363 0.675 20 0 BCADLP CC[C@@H](Cn1cncn1)[NH2+]CCn1cc[nH+]c1 ZINC000438831033 387958943 /nfs/dbraw/zinc/95/89/43/387958943.db2.gz IINHMITWGSDISQ-NSHDSACASA-N 2 2 234.307 0.543 20 0 BCADLP CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423172301 387959864 /nfs/dbraw/zinc/95/98/64/387959864.db2.gz SCYLLHNDEXJXEF-XWLWVQCSSA-N 2 2 214.309 0.130 20 0 BCADLP COc1ccnc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])n1 ZINC000424368475 387992333 /nfs/dbraw/zinc/99/23/33/387992333.db2.gz BITAXLIZZBHKTB-IUCAKERBSA-N 2 2 224.308 0.701 20 0 BCADLP COc1ccnc(C[NH2+][C@H](C)C[C@H](C)[NH3+])n1 ZINC000424368474 387992468 /nfs/dbraw/zinc/99/24/68/387992468.db2.gz BITAXLIZZBHKTB-DTWKUNHWSA-N 2 2 224.308 0.701 20 0 BCADLP COc1ccnc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])n1 ZINC000424385147 388002102 /nfs/dbraw/zinc/00/21/02/388002102.db2.gz VZGGUBCSDCTCAH-UWVGGRQHSA-N 2 2 236.319 0.702 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000081008409 388006322 /nfs/dbraw/zinc/00/63/22/388006322.db2.gz UJSXJOWXWUKHOO-SNVBAGLBSA-N 2 2 236.319 0.569 20 0 BCADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423232279 388016484 /nfs/dbraw/zinc/01/64/84/388016484.db2.gz IBIWTWUUVBEEBD-GRYCIOLGSA-N 3 2 211.353 0.716 20 0 BCADLP CC[NH2+]CC[NH2+][C@H]1CCCc2c1cnn2C ZINC000423238853 388022968 /nfs/dbraw/zinc/02/29/68/388022968.db2.gz FJPCDMMZQZQJEN-NSHDSACASA-N 2 2 222.336 0.997 20 0 BCADLP CC1(C)C(=O)NCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000082475445 388036082 /nfs/dbraw/zinc/03/60/82/388036082.db2.gz FDNJNDGYYRYIKH-JTQLQIEISA-N 2 2 225.336 0.196 20 0 BCADLP CC1(C)C(=O)NCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000082475445 388036086 /nfs/dbraw/zinc/03/60/86/388036086.db2.gz FDNJNDGYYRYIKH-JTQLQIEISA-N 2 2 225.336 0.196 20 0 BCADLP C[NH2+]C[C@H](C)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423256202 388037236 /nfs/dbraw/zinc/03/72/36/388037236.db2.gz BMMSIJQCHRXKFI-DRZSPHRISA-N 3 2 241.379 0.199 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000453264022 388028035 /nfs/dbraw/zinc/02/80/35/388028035.db2.gz MFXBHOYZIMPBGB-XQQFMLRXSA-N 2 2 244.379 0.846 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000453264022 388028039 /nfs/dbraw/zinc/02/80/39/388028039.db2.gz MFXBHOYZIMPBGB-XQQFMLRXSA-N 2 2 244.379 0.846 20 0 BCADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)[C@@H](O)C(F)F ZINC000453266002 388030484 /nfs/dbraw/zinc/03/04/84/388030484.db2.gz DTJQMMNIENDQDT-AXTSPUMRSA-N 2 2 236.306 0.931 20 0 BCADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)[C@@H](O)C(F)F ZINC000453266002 388030487 /nfs/dbraw/zinc/03/04/87/388030487.db2.gz DTJQMMNIENDQDT-AXTSPUMRSA-N 2 2 236.306 0.931 20 0 BCADLP C[NH2+]CC[NH2+][C@@H]1COc2ccc(OC)cc2C1 ZINC000423246950 388030702 /nfs/dbraw/zinc/03/07/02/388030702.db2.gz ODFRFZKTUQACTF-NSHDSACASA-N 2 2 236.315 0.808 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000453401850 388073061 /nfs/dbraw/zinc/07/30/61/388073061.db2.gz FJMDKTUJPGZCOH-WKSBVSIWSA-N 2 2 224.348 0.972 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000453401850 388073065 /nfs/dbraw/zinc/07/30/65/388073065.db2.gz FJMDKTUJPGZCOH-WKSBVSIWSA-N 2 2 224.348 0.972 20 0 BCADLP CC1(C)C[NH2+][C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000645969460 388100242 /nfs/dbraw/zinc/10/02/42/388100242.db2.gz PNOKHPLZWPFVPU-QMMMGPOBSA-N 2 2 208.265 0.024 20 0 BCADLP CO[C@@H](C[NH3+])CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000645976161 388112448 /nfs/dbraw/zinc/11/24/48/388112448.db2.gz BVFPFMIBEKWHID-SNVBAGLBSA-N 2 2 248.286 0.637 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CSC[C@@H]1C ZINC000449251397 388162576 /nfs/dbraw/zinc/16/25/76/388162576.db2.gz RPCAXACPJWXPLL-WDEREUQCSA-N 2 2 232.393 0.642 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CSC[C@@H]1C ZINC000449251397 388162577 /nfs/dbraw/zinc/16/25/77/388162577.db2.gz RPCAXACPJWXPLL-WDEREUQCSA-N 2 2 232.393 0.642 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645928853 388167473 /nfs/dbraw/zinc/16/74/73/388167473.db2.gz OGFRTIJMOFYBED-SECBINFHSA-N 2 2 222.292 0.034 20 0 BCADLP C[C@H](O)CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000162441911 388170908 /nfs/dbraw/zinc/17/09/08/388170908.db2.gz ZOPKFXBTJWHWMA-NSHDSACASA-N 2 2 211.309 0.976 20 0 BCADLP C[C@H](O)CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000162441911 388170910 /nfs/dbraw/zinc/17/09/10/388170910.db2.gz ZOPKFXBTJWHWMA-NSHDSACASA-N 2 2 211.309 0.976 20 0 BCADLP CC[N@H+](CC(=O)N1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000646261403 388172910 /nfs/dbraw/zinc/17/29/10/388172910.db2.gz FULLKZNBHYWEIS-UHFFFAOYSA-N 2 2 248.330 0.779 20 0 BCADLP CC[N@@H+](CC(=O)N1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000646261403 388172911 /nfs/dbraw/zinc/17/29/11/388172911.db2.gz FULLKZNBHYWEIS-UHFFFAOYSA-N 2 2 248.330 0.779 20 0 BCADLP CC[N@H+](CC(=O)N1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000646261403 388172912 /nfs/dbraw/zinc/17/29/12/388172912.db2.gz FULLKZNBHYWEIS-UHFFFAOYSA-N 2 2 248.330 0.779 20 0 BCADLP CC[N@@H+](CC(=O)N1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000646261403 388172914 /nfs/dbraw/zinc/17/29/14/388172914.db2.gz FULLKZNBHYWEIS-UHFFFAOYSA-N 2 2 248.330 0.779 20 0 BCADLP C[C@H](CCO)CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000449356391 388180866 /nfs/dbraw/zinc/18/08/66/388180866.db2.gz HLAJIGUAWYGSMM-SRVKXCTJSA-N 2 2 214.353 0.935 20 0 BCADLP C[C@H](CCO)CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000449356391 388180867 /nfs/dbraw/zinc/18/08/67/388180867.db2.gz HLAJIGUAWYGSMM-SRVKXCTJSA-N 2 2 214.353 0.935 20 0 BCADLP COC(=O)COC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000449103805 388143049 /nfs/dbraw/zinc/14/30/49/388143049.db2.gz SAFWJTSVSCFSFE-GHMZBOCLSA-N 2 2 244.335 0.248 20 0 BCADLP COC(=O)COC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000449103805 388143051 /nfs/dbraw/zinc/14/30/51/388143051.db2.gz SAFWJTSVSCFSFE-GHMZBOCLSA-N 2 2 244.335 0.248 20 0 BCADLP Cc1cccn2cc(CCNC(=O)CC[NH3+])[nH+]c12 ZINC000646137347 388152952 /nfs/dbraw/zinc/15/29/52/388152952.db2.gz AAZGSISKNAHJKE-UHFFFAOYSA-N 2 2 246.314 0.650 20 0 BCADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]CC1CC1 ZINC000449388100 388191606 /nfs/dbraw/zinc/19/16/06/388191606.db2.gz NYMBBFBEYWERBP-GFCCVEGCSA-N 2 2 212.337 0.833 20 0 BCADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]CC1CC1 ZINC000449388100 388191609 /nfs/dbraw/zinc/19/16/09/388191609.db2.gz NYMBBFBEYWERBP-GFCCVEGCSA-N 2 2 212.337 0.833 20 0 BCADLP CC[C@@H](COC)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449389711 388192319 /nfs/dbraw/zinc/19/23/19/388192319.db2.gz DROPWOBNEMJVAO-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP CC[C@@H](COC)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449389711 388192321 /nfs/dbraw/zinc/19/23/21/388192321.db2.gz DROPWOBNEMJVAO-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000449462755 388211830 /nfs/dbraw/zinc/21/18/30/388211830.db2.gz VQXUCBWIQBRIQF-FDYHWXHSSA-N 2 2 242.363 0.578 20 0 BCADLP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000449462755 388211832 /nfs/dbraw/zinc/21/18/32/388211832.db2.gz VQXUCBWIQBRIQF-FDYHWXHSSA-N 2 2 242.363 0.578 20 0 BCADLP CCN1C[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1=O ZINC000449517157 388222121 /nfs/dbraw/zinc/22/21/21/388222121.db2.gz JAFLQYNEXICIGY-GMTAPVOTSA-N 2 2 225.336 0.147 20 0 BCADLP CCN1C[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1=O ZINC000449517157 388222123 /nfs/dbraw/zinc/22/21/23/388222123.db2.gz JAFLQYNEXICIGY-GMTAPVOTSA-N 2 2 225.336 0.147 20 0 BCADLP Cc1cc[nH+]c(N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000490072250 388233377 /nfs/dbraw/zinc/23/33/77/388233377.db2.gz MDUJBACDGRVHOT-LBPRGKRZSA-N 2 2 235.331 0.893 20 0 BCADLP Cc1cc[nH+]c(N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000490072250 388233379 /nfs/dbraw/zinc/23/33/79/388233379.db2.gz MDUJBACDGRVHOT-LBPRGKRZSA-N 2 2 235.331 0.893 20 0 BCADLP C[NH+](C)C/C=C\C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000491861857 388325021 /nfs/dbraw/zinc/32/50/21/388325021.db2.gz AWMVRXXQJVPRJA-ARJAWSKDSA-N 2 2 234.303 0.384 20 0 BCADLP O=C(C[C@H]1CC[NH2+]C1)Nc1cc[nH+]cc1O ZINC000645952677 388267249 /nfs/dbraw/zinc/26/72/49/388267249.db2.gz BGHFIOZTANHFSF-MRVPVSSYSA-N 2 2 221.260 0.147 20 0 BCADLP CN(C)C(=O)c1ccc(C[N@H+](C)CCC[NH3+])[nH]1 ZINC000573000546 388404339 /nfs/dbraw/zinc/40/43/39/388404339.db2.gz HVGXWRHEFYGYAQ-UHFFFAOYSA-N 2 2 238.335 0.497 20 0 BCADLP CN(C)C(=O)c1ccc(C[N@@H+](C)CCC[NH3+])[nH]1 ZINC000573000546 388404341 /nfs/dbraw/zinc/40/43/41/388404341.db2.gz HVGXWRHEFYGYAQ-UHFFFAOYSA-N 2 2 238.335 0.497 20 0 BCADLP C[C@@H]1[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)CC[N@@H+]1C ZINC000648785327 388354280 /nfs/dbraw/zinc/35/42/80/388354280.db2.gz DZBFSEGBYUSQAH-ZYHUDNBSSA-N 2 2 248.330 0.607 20 0 BCADLP C[C@@H]1[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)CC[N@H+]1C ZINC000648785327 388354283 /nfs/dbraw/zinc/35/42/83/388354283.db2.gz DZBFSEGBYUSQAH-ZYHUDNBSSA-N 2 2 248.330 0.607 20 0 BCADLP COC(=O)[C@H]([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000234564750 388356607 /nfs/dbraw/zinc/35/66/07/388356607.db2.gz JTHFGNJFGDPASZ-SNVBAGLBSA-N 2 2 223.276 0.424 20 0 BCADLP COC(=O)[C@@H]([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000234552659 388356801 /nfs/dbraw/zinc/35/68/01/388356801.db2.gz JTHFGNJFGDPASZ-JTQLQIEISA-N 2 2 223.276 0.424 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000646430461 388358037 /nfs/dbraw/zinc/35/80/37/388358037.db2.gz RWYOZYINOQJXMC-SNVBAGLBSA-N 2 2 219.288 0.748 20 0 BCADLP C[C@@H]1[C@H](C(=O)NCc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000648791523 388359808 /nfs/dbraw/zinc/35/98/08/388359808.db2.gz BJEYTVXUQBGEIT-PSASIEDQSA-N 2 2 222.292 0.366 20 0 BCADLP C[C@@H]1[C@H](C(=O)NCc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000648791523 388359813 /nfs/dbraw/zinc/35/98/13/388359813.db2.gz BJEYTVXUQBGEIT-PSASIEDQSA-N 2 2 222.292 0.366 20 0 BCADLP C[C@@H]1[C@H](C(=O)NCc2c[nH]c[nH+]2)CC[N@@H+]1C ZINC000648791523 388359814 /nfs/dbraw/zinc/35/98/14/388359814.db2.gz BJEYTVXUQBGEIT-PSASIEDQSA-N 2 2 222.292 0.366 20 0 BCADLP C[C@@H]1[C@H](C(=O)NCc2c[nH]c[nH+]2)CC[N@H+]1C ZINC000648791523 388359817 /nfs/dbraw/zinc/35/98/17/388359817.db2.gz BJEYTVXUQBGEIT-PSASIEDQSA-N 2 2 222.292 0.366 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC2(C[NH3+])CC2)C1 ZINC000572879712 388383222 /nfs/dbraw/zinc/38/32/22/388383222.db2.gz SWSNHQNGLDTCHI-WDEREUQCSA-N 3 2 211.353 0.785 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC2(C[NH3+])CC2)C1 ZINC000572879712 388383224 /nfs/dbraw/zinc/38/32/24/388383224.db2.gz SWSNHQNGLDTCHI-WDEREUQCSA-N 3 2 211.353 0.785 20 0 BCADLP CC[C@H]([NH3+])C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000236937990 388386603 /nfs/dbraw/zinc/38/66/03/388386603.db2.gz ILQMUVYMCQHWCY-UTUOFQBUSA-N 2 2 241.379 0.960 20 0 BCADLP CC[C@H]([NH3+])C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000236937990 388386605 /nfs/dbraw/zinc/38/66/05/388386605.db2.gz ILQMUVYMCQHWCY-UTUOFQBUSA-N 2 2 241.379 0.960 20 0 BCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000236940598 388386636 /nfs/dbraw/zinc/38/66/36/388386636.db2.gz FMZPHROJMMDADC-JLLWLGSASA-N 2 2 241.379 0.816 20 0 BCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1nncn1C ZINC000572961643 388399106 /nfs/dbraw/zinc/39/91/06/388399106.db2.gz QLRCSHZHXBJAIS-SNVBAGLBSA-N 2 2 211.313 0.278 20 0 BCADLP CC(C)[C@H](CO)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000394098115 388450683 /nfs/dbraw/zinc/45/06/83/388450683.db2.gz SARJPVALYLRHLH-AGIUHOORSA-N 2 2 244.379 0.608 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000335537706 388452015 /nfs/dbraw/zinc/45/20/15/388452015.db2.gz AGEVILHTYIXIDP-NSHDSACASA-N 2 2 219.288 0.878 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000336268324 388456371 /nfs/dbraw/zinc/45/63/71/388456371.db2.gz UUDYIBVLHHKFPR-NEPJUHHUSA-N 3 2 211.353 0.657 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000336268324 388456373 /nfs/dbraw/zinc/45/63/73/388456373.db2.gz UUDYIBVLHHKFPR-NEPJUHHUSA-N 3 2 211.353 0.657 20 0 BCADLP [NH3+][C@@H](CC(F)F)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000336710175 388466529 /nfs/dbraw/zinc/46/65/29/388466529.db2.gz MYYRJBHRAQMLEF-VIFPVBQESA-N 2 2 247.289 0.276 20 0 BCADLP CC1(C)[C@@H](O)C[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000166402025 388426301 /nfs/dbraw/zinc/42/63/01/388426301.db2.gz LODJXCMQYOIBDH-UWVGGRQHSA-N 2 2 209.293 0.632 20 0 BCADLP Cc1nocc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000339347630 388483011 /nfs/dbraw/zinc/48/30/11/388483011.db2.gz CUZACURKSYPPJQ-LLVKDONJSA-N 2 2 225.292 0.139 20 0 BCADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649276393 388496791 /nfs/dbraw/zinc/49/67/91/388496791.db2.gz USXJBAKXPWAGGC-MXWKQRLJSA-N 2 2 234.303 0.140 20 0 BCADLP C[N@@H+]1CCN(C(=O)NC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000087613616 256804352 /nfs/dbraw/zinc/80/43/52/256804352.db2.gz LBOWAGVKWBNYGQ-VIFPVBQESA-N 2 2 228.340 0.069 20 0 BCADLP C[N@H+]1CCN(C(=O)NC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000087613616 256804354 /nfs/dbraw/zinc/80/43/54/256804354.db2.gz LBOWAGVKWBNYGQ-VIFPVBQESA-N 2 2 228.340 0.069 20 0 BCADLP [NH3+]C1(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000517377338 388549409 /nfs/dbraw/zinc/54/94/09/388549409.db2.gz SYQBAAOHRWQEDC-UHFFFAOYSA-N 2 2 216.244 0.764 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000347059601 388522497 /nfs/dbraw/zinc/52/24/97/388522497.db2.gz XKJCDSQSNRVYBA-VIFPVBQESA-N 2 2 221.304 0.565 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000347059601 388522500 /nfs/dbraw/zinc/52/25/00/388522500.db2.gz XKJCDSQSNRVYBA-VIFPVBQESA-N 2 2 221.304 0.565 20 0 BCADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000548311856 388528180 /nfs/dbraw/zinc/52/81/80/388528180.db2.gz LDAAITBBUKAGOR-QWRGUYRKSA-N 2 2 248.330 0.266 20 0 BCADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000548311856 388528181 /nfs/dbraw/zinc/52/81/81/388528181.db2.gz LDAAITBBUKAGOR-QWRGUYRKSA-N 2 2 248.330 0.266 20 0 BCADLP CCn1cc[nH+]c1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000516980441 388531061 /nfs/dbraw/zinc/53/10/61/388531061.db2.gz XXTYLNUASVNCAQ-SNVBAGLBSA-N 2 2 236.319 0.613 20 0 BCADLP CCn1cc[nH+]c1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000516980441 388531062 /nfs/dbraw/zinc/53/10/62/388531062.db2.gz XXTYLNUASVNCAQ-SNVBAGLBSA-N 2 2 236.319 0.613 20 0 BCADLP Cc1cc(NC(=O)N(C)[C@H]2CC[NH2+]C2)c(C)c[nH+]1 ZINC000517017975 388532337 /nfs/dbraw/zinc/53/23/37/388532337.db2.gz RGSYJODSRMAUKL-NSHDSACASA-N 2 2 248.330 0.946 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(N)=O)[C@H](C)C1 ZINC000081095335 388568011 /nfs/dbraw/zinc/56/80/11/388568011.db2.gz ZAARZDXTJABHGQ-ZJUUUORDSA-N 2 2 213.325 0.134 20 0 BCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(N)=O)[C@H](C)C1 ZINC000081095335 388568013 /nfs/dbraw/zinc/56/80/13/388568013.db2.gz ZAARZDXTJABHGQ-ZJUUUORDSA-N 2 2 213.325 0.134 20 0 BCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(N)=O)[C@H](C)C1 ZINC000081095335 388568016 /nfs/dbraw/zinc/56/80/16/388568016.db2.gz ZAARZDXTJABHGQ-ZJUUUORDSA-N 2 2 213.325 0.134 20 0 BCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(N)=O)[C@H](C)C1 ZINC000081095335 388568019 /nfs/dbraw/zinc/56/80/19/388568019.db2.gz ZAARZDXTJABHGQ-ZJUUUORDSA-N 2 2 213.325 0.134 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC000245435203 388578914 /nfs/dbraw/zinc/57/89/14/388578914.db2.gz CTMMVURLSMHCFE-ZJUUUORDSA-N 2 2 213.325 0.134 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC000245435203 388578916 /nfs/dbraw/zinc/57/89/16/388578916.db2.gz CTMMVURLSMHCFE-ZJUUUORDSA-N 2 2 213.325 0.134 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC000245435203 388578917 /nfs/dbraw/zinc/57/89/17/388578917.db2.gz CTMMVURLSMHCFE-ZJUUUORDSA-N 2 2 213.325 0.134 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC000245435203 388578918 /nfs/dbraw/zinc/57/89/18/388578918.db2.gz CTMMVURLSMHCFE-ZJUUUORDSA-N 2 2 213.325 0.134 20 0 BCADLP Cc1c[nH+]cn1CC(=O)NCC[NH+]1CCC1 ZINC000528884635 388580106 /nfs/dbraw/zinc/58/01/06/388580106.db2.gz DQVDJYWZGJANTO-UHFFFAOYSA-N 2 2 222.292 0.013 20 0 BCADLP CC[C@@H](O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000538096398 388678084 /nfs/dbraw/zinc/67/80/84/388678084.db2.gz KXHIVPSTWAKTGU-WDEREUQCSA-N 2 2 223.320 0.980 20 0 BCADLP CC[C@@H](O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000538096398 388678087 /nfs/dbraw/zinc/67/80/87/388678087.db2.gz KXHIVPSTWAKTGU-WDEREUQCSA-N 2 2 223.320 0.980 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@H]1CC[NH2+]C12CCC2 ZINC000530179539 388622567 /nfs/dbraw/zinc/62/25/67/388622567.db2.gz LGFCWWBRJZHREN-QMMMGPOBSA-N 2 2 249.318 0.764 20 0 BCADLP CCn1ncc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])n1 ZINC000530214103 388628883 /nfs/dbraw/zinc/62/88/83/388628883.db2.gz XVDQAUCAIUVGBB-IUCAKERBSA-N 2 2 211.313 0.513 20 0 BCADLP C[C@@H](NC[C@@H]1COCC[NH2+]1)c1[nH+]ccn1C ZINC000530220057 388631375 /nfs/dbraw/zinc/63/13/75/388631375.db2.gz IFGMSRYASGAYSN-NXEZZACHSA-N 2 2 224.308 0.059 20 0 BCADLP CCOC[C@@H]1C[N@H+](CCC[NH3+])CCO1 ZINC000530231672 388636730 /nfs/dbraw/zinc/63/67/30/388636730.db2.gz KRODPKZHQNALBF-JTQLQIEISA-N 2 2 202.298 0.073 20 0 BCADLP CCOC[C@@H]1C[N@@H+](CCC[NH3+])CCO1 ZINC000530231672 388636731 /nfs/dbraw/zinc/63/67/31/388636731.db2.gz KRODPKZHQNALBF-JTQLQIEISA-N 2 2 202.298 0.073 20 0 BCADLP Cn1cc[nH+]c1CNC1CC([NH+](C)C)C1 ZINC000521899088 388640768 /nfs/dbraw/zinc/64/07/68/388640768.db2.gz JFPVKAWKGMUDHU-UHFFFAOYSA-N 2 2 208.309 0.602 20 0 BCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000551921753 388647662 /nfs/dbraw/zinc/64/76/62/388647662.db2.gz JXNMGFGQIRDKAU-ZJUUUORDSA-N 2 2 248.330 0.335 20 0 BCADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000551921753 388647664 /nfs/dbraw/zinc/64/76/64/388647664.db2.gz JXNMGFGQIRDKAU-ZJUUUORDSA-N 2 2 248.330 0.335 20 0 BCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000551921753 388647667 /nfs/dbraw/zinc/64/76/67/388647667.db2.gz JXNMGFGQIRDKAU-ZJUUUORDSA-N 2 2 248.330 0.335 20 0 BCADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000551921753 388647668 /nfs/dbraw/zinc/64/76/68/388647668.db2.gz JXNMGFGQIRDKAU-ZJUUUORDSA-N 2 2 248.330 0.335 20 0 BCADLP CC[N@H+](C)CC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000246885272 388654161 /nfs/dbraw/zinc/65/41/61/388654161.db2.gz DIISHNBPYQUYBO-QWRGUYRKSA-N 2 2 200.326 0.953 20 0 BCADLP CC[N@@H+](C)CC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000246885272 388654163 /nfs/dbraw/zinc/65/41/63/388654163.db2.gz DIISHNBPYQUYBO-QWRGUYRKSA-N 2 2 200.326 0.953 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC)[C@@H](C)C1 ZINC000246897301 388654885 /nfs/dbraw/zinc/65/48/85/388654885.db2.gz RHJAUYJBMBAXGV-QWRGUYRKSA-N 2 2 227.352 0.395 20 0 BCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC)[C@@H](C)C1 ZINC000246897301 388654887 /nfs/dbraw/zinc/65/48/87/388654887.db2.gz RHJAUYJBMBAXGV-QWRGUYRKSA-N 2 2 227.352 0.395 20 0 BCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC)[C@@H](C)C1 ZINC000246897301 388654890 /nfs/dbraw/zinc/65/48/90/388654890.db2.gz RHJAUYJBMBAXGV-QWRGUYRKSA-N 2 2 227.352 0.395 20 0 BCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC)[C@@H](C)C1 ZINC000246897301 388654892 /nfs/dbraw/zinc/65/48/92/388654892.db2.gz RHJAUYJBMBAXGV-QWRGUYRKSA-N 2 2 227.352 0.395 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)Cn1cc[nH+]c1 ZINC000552012760 388658022 /nfs/dbraw/zinc/65/80/22/388658022.db2.gz CNGVSMZUPGECMA-GHMZBOCLSA-N 2 2 236.319 0.434 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)Cn1cc[nH+]c1 ZINC000552012760 388658023 /nfs/dbraw/zinc/65/80/23/388658023.db2.gz CNGVSMZUPGECMA-GHMZBOCLSA-N 2 2 236.319 0.434 20 0 BCADLP CC(C)n1c[nH+]cc1C[NH2+]CC(=O)NC1CC1 ZINC000090207802 388746069 /nfs/dbraw/zinc/74/60/69/388746069.db2.gz WJJWBPUWMISLMX-UHFFFAOYSA-N 2 2 236.319 0.832 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000248976589 388702705 /nfs/dbraw/zinc/70/27/05/388702705.db2.gz HUIUCPWREKSWMV-RYUDHWBXSA-N 2 2 230.352 0.315 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000248976589 388702707 /nfs/dbraw/zinc/70/27/07/388702707.db2.gz HUIUCPWREKSWMV-RYUDHWBXSA-N 2 2 230.352 0.315 20 0 BCADLP COC[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@H](C)O1 ZINC000252012480 388760300 /nfs/dbraw/zinc/76/03/00/388760300.db2.gz XUBLANXCDVFTIR-RYUDHWBXSA-N 2 2 239.319 0.619 20 0 BCADLP COC[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@H](C)O1 ZINC000252012480 388760302 /nfs/dbraw/zinc/76/03/02/388760302.db2.gz XUBLANXCDVFTIR-RYUDHWBXSA-N 2 2 239.319 0.619 20 0 BCADLP CCn1ncnc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252865613 388789813 /nfs/dbraw/zinc/78/98/13/388789813.db2.gz PWHPVTCKANXMTJ-SRVKXCTJSA-N 2 2 249.362 0.857 20 0 BCADLP CCn1ncnc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252865613 388789817 /nfs/dbraw/zinc/78/98/17/388789817.db2.gz PWHPVTCKANXMTJ-SRVKXCTJSA-N 2 2 249.362 0.857 20 0 BCADLP C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C[N@@H+]1C1CC1 ZINC000555228183 388843678 /nfs/dbraw/zinc/84/36/78/388843678.db2.gz UYGDGDXKFIIGHQ-GHMZBOCLSA-N 2 2 248.330 0.625 20 0 BCADLP C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C[N@H+]1C1CC1 ZINC000555228183 388843681 /nfs/dbraw/zinc/84/36/81/388843681.db2.gz UYGDGDXKFIIGHQ-GHMZBOCLSA-N 2 2 248.330 0.625 20 0 BCADLP C[C@H](O)[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000564868184 388896403 /nfs/dbraw/zinc/89/64/03/388896403.db2.gz DECNJYROVSEIOV-CIUDSAMLSA-N 2 2 209.293 0.626 20 0 BCADLP C[C@H](O)[C@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000564868184 388896405 /nfs/dbraw/zinc/89/64/05/388896405.db2.gz DECNJYROVSEIOV-CIUDSAMLSA-N 2 2 209.293 0.626 20 0 BCADLP [NH3+]CCCCC(=O)Nc1cc[nH+]cc1O ZINC000564922174 388898455 /nfs/dbraw/zinc/89/84/55/388898455.db2.gz VPLLLZMWBUBOMB-UHFFFAOYSA-N 2 2 209.249 0.277 20 0 BCADLP CCC[NH2+][C@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000564935837 388898697 /nfs/dbraw/zinc/89/86/97/388898697.db2.gz HAOTVNCRIZLFJS-SECBINFHSA-N 2 2 224.308 0.457 20 0 BCADLP CCC[C@H]1C[N@H+](C[C@@](C)(O)C[NH2+]C)CCO1 ZINC000565094415 388913844 /nfs/dbraw/zinc/91/38/44/388913844.db2.gz YELONPJSUABRFM-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP CCC[C@H]1C[N@@H+](C[C@@](C)(O)C[NH2+]C)CCO1 ZINC000565094415 388913847 /nfs/dbraw/zinc/91/38/47/388913847.db2.gz YELONPJSUABRFM-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)OC[C@@H]1CCCO1 ZINC000565648147 388960193 /nfs/dbraw/zinc/96/01/93/388960193.db2.gz IJVSNZHUBLGJKE-AGIUHOORSA-N 2 2 240.347 0.476 20 0 BCADLP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)OC[C@@H]1CCCO1 ZINC000565648147 388960196 /nfs/dbraw/zinc/96/01/96/388960196.db2.gz IJVSNZHUBLGJKE-AGIUHOORSA-N 2 2 240.347 0.476 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000565748704 388967323 /nfs/dbraw/zinc/96/73/23/388967323.db2.gz AUCRTNZVINCSKX-JTQLQIEISA-N 2 2 234.303 0.236 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000565748704 388967325 /nfs/dbraw/zinc/96/73/25/388967325.db2.gz AUCRTNZVINCSKX-JTQLQIEISA-N 2 2 234.303 0.236 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000565363666 388938868 /nfs/dbraw/zinc/93/88/68/388938868.db2.gz NYPWGKXIVLLITG-STQMWFEESA-N 3 2 225.380 0.917 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000565363666 388938872 /nfs/dbraw/zinc/93/88/72/388938872.db2.gz NYPWGKXIVLLITG-STQMWFEESA-N 3 2 225.380 0.917 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000565951422 388980246 /nfs/dbraw/zinc/98/02/46/388980246.db2.gz QABJMHCGZKVPRU-ZDUSSCGKSA-N 2 2 239.363 0.588 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000565951422 388980248 /nfs/dbraw/zinc/98/02/48/388980248.db2.gz QABJMHCGZKVPRU-ZDUSSCGKSA-N 2 2 239.363 0.588 20 0 BCADLP C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000042409387 132297731 /nfs/dbraw/zinc/29/77/31/132297731.db2.gz WZYTVDFQFCJOFL-UHFFFAOYSA-N 2 2 235.335 0.208 20 0 BCADLP C[C@@H]([NH3+])CCC(=O)NCc1[nH+]ccn1C ZINC000069840336 133533630 /nfs/dbraw/zinc/53/36/30/133533630.db2.gz PSIJPESPTUFWLI-MRVPVSSYSA-N 2 2 210.281 0.164 20 0 BCADLP Cn1c[nH+]cc1CN1CC[NH+]2CCC1CC2 ZINC000335997622 134042711 /nfs/dbraw/zinc/04/27/11/134042711.db2.gz BZRYNWKYRGLKQQ-UHFFFAOYSA-N 2 2 220.320 0.700 20 0 BCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C[NH+](C)C ZINC000336003230 134048109 /nfs/dbraw/zinc/04/81/09/134048109.db2.gz JJWBDPDEGAZBFO-LLVKDONJSA-N 2 2 227.352 0.347 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000336010458 134050670 /nfs/dbraw/zinc/05/06/70/134050670.db2.gz YXXGDCVELUIHHH-NSHDSACASA-N 2 2 227.352 0.491 20 0 BCADLP CN(C)C(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000336010458 134050671 /nfs/dbraw/zinc/05/06/71/134050671.db2.gz YXXGDCVELUIHHH-NSHDSACASA-N 2 2 227.352 0.491 20 0 BCADLP Cn1cc[nH+]c1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000336164784 134112687 /nfs/dbraw/zinc/11/26/87/134112687.db2.gz XILLJSGLBNGHTK-PHIMTYICSA-N 2 2 220.320 0.746 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000336170957 134115181 /nfs/dbraw/zinc/11/51/81/134115181.db2.gz PSOXGDGDQRLYOS-WDEREUQCSA-N 2 2 225.336 0.420 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000336170957 134115182 /nfs/dbraw/zinc/11/51/82/134115182.db2.gz PSOXGDGDQRLYOS-WDEREUQCSA-N 2 2 225.336 0.420 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000336173699 134115961 /nfs/dbraw/zinc/11/59/61/134115961.db2.gz IPFXUIBRNKEBRK-GXFFZTMASA-N 2 2 231.299 0.750 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCCn2ccnn2)C[N@@H+]1C1CC1 ZINC000168141814 134156125 /nfs/dbraw/zinc/15/61/25/134156125.db2.gz YUNSQULSRMSBGX-VXGBXAGGSA-N 2 2 249.362 0.883 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCCn2ccnn2)C[N@H+]1C1CC1 ZINC000168141814 134156126 /nfs/dbraw/zinc/15/61/26/134156126.db2.gz YUNSQULSRMSBGX-VXGBXAGGSA-N 2 2 249.362 0.883 20 0 BCADLP CN(C(=O)c1ccc2[nH+]ccn2c1)[C@@H]1CC[NH2+]C1 ZINC000179072177 134314586 /nfs/dbraw/zinc/31/45/86/134314586.db2.gz UMONLCUZTYEAAO-LLVKDONJSA-N 2 2 244.298 0.768 20 0 BCADLP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221298798 134323108 /nfs/dbraw/zinc/32/31/08/134323108.db2.gz FBOJFJNDTFMDOD-RYUDHWBXSA-N 2 2 241.379 0.833 20 0 BCADLP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221298798 134323109 /nfs/dbraw/zinc/32/31/09/134323109.db2.gz FBOJFJNDTFMDOD-RYUDHWBXSA-N 2 2 241.379 0.833 20 0 BCADLP CC(C)[NH+](CC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000183051015 134350877 /nfs/dbraw/zinc/35/08/77/134350877.db2.gz NSYSJDFJKQQRQB-UHFFFAOYSA-N 2 2 241.379 0.879 20 0 BCADLP C[C@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@H]1CO ZINC000248913386 135026232 /nfs/dbraw/zinc/02/62/32/135026232.db2.gz JLCJANSTBOREBO-RYUDHWBXSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@H]1CO ZINC000248913386 135026235 /nfs/dbraw/zinc/02/62/35/135026235.db2.gz JLCJANSTBOREBO-RYUDHWBXSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)CC[C@H]1[NH3+] ZINC000251936538 135081869 /nfs/dbraw/zinc/08/18/69/135081869.db2.gz ZFVWXVNQBYHSGS-ZYHUDNBSSA-N 2 2 239.363 0.714 20 0 BCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)CC[C@H]1[NH3+] ZINC000251936538 135081870 /nfs/dbraw/zinc/08/18/70/135081870.db2.gz ZFVWXVNQBYHSGS-ZYHUDNBSSA-N 2 2 239.363 0.714 20 0 BCADLP CCCCNC(=O)[C@H](C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453499 135090111 /nfs/dbraw/zinc/09/01/11/135090111.db2.gz MBTWWJCYXYPKQI-SRVKXCTJSA-N 2 2 239.363 0.442 20 0 BCADLP c1ncc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cn1 ZINC000252667029 135095931 /nfs/dbraw/zinc/09/59/31/135095931.db2.gz FSEUEYBSKNLKPU-QWHCGFSZSA-N 2 2 248.330 0.429 20 0 BCADLP c1ncc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cn1 ZINC000252667029 135095932 /nfs/dbraw/zinc/09/59/32/135095932.db2.gz FSEUEYBSKNLKPU-QWHCGFSZSA-N 2 2 248.330 0.429 20 0 BCADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC000252710116 135099151 /nfs/dbraw/zinc/09/91/51/135099151.db2.gz FSJHSJSCZGRDRE-WDEREUQCSA-N 2 2 248.392 0.351 20 0 BCADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC000252710116 135099152 /nfs/dbraw/zinc/09/91/52/135099152.db2.gz FSJHSJSCZGRDRE-WDEREUQCSA-N 2 2 248.392 0.351 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000252709586 135099748 /nfs/dbraw/zinc/09/97/48/135099748.db2.gz DGZANKDIPSFKLX-FXPVBKGRSA-N 2 2 225.336 0.323 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000252709586 135099749 /nfs/dbraw/zinc/09/97/49/135099749.db2.gz DGZANKDIPSFKLX-FXPVBKGRSA-N 2 2 225.336 0.323 20 0 BCADLP C[C@H]1C[N@H+](CC(=O)N(C)C2CC2)CC[C@@H]1[NH3+] ZINC000086887050 135100533 /nfs/dbraw/zinc/10/05/33/135100533.db2.gz VOKCQMVFBZWHEZ-ONGXEEELSA-N 2 2 225.336 0.276 20 0 BCADLP C[C@H]1C[N@@H+](CC(=O)N(C)C2CC2)CC[C@@H]1[NH3+] ZINC000086887050 135100536 /nfs/dbraw/zinc/10/05/36/135100536.db2.gz VOKCQMVFBZWHEZ-ONGXEEELSA-N 2 2 225.336 0.276 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000086886334 135101044 /nfs/dbraw/zinc/10/10/44/135101044.db2.gz RBTWPSQATNWGQD-UWVGGRQHSA-N 2 2 213.325 0.180 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000086886334 135101045 /nfs/dbraw/zinc/10/10/45/135101045.db2.gz RBTWPSQATNWGQD-UWVGGRQHSA-N 2 2 213.325 0.180 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NCc1[nH]cc[nH+]1 ZINC000252740087 135105765 /nfs/dbraw/zinc/10/57/65/135105765.db2.gz GIKGRWPVQYYTPK-MWLCHTKSSA-N 2 2 220.320 0.982 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCc1[nH]cc[nH+]1 ZINC000252740087 135105767 /nfs/dbraw/zinc/10/57/67/135105767.db2.gz GIKGRWPVQYYTPK-MWLCHTKSSA-N 2 2 220.320 0.982 20 0 BCADLP C[C@@]1(C[N@@H+]2CC[C@@](F)(CO)C2)CC[NH2+]C1 ZINC000261555100 135108499 /nfs/dbraw/zinc/10/84/99/135108499.db2.gz UROYYFHJKTYTRW-MNOVXSKESA-N 2 2 216.300 0.392 20 0 BCADLP C[C@@]1(C[N@H+]2CC[C@@](F)(CO)C2)CC[NH2+]C1 ZINC000261555100 135108502 /nfs/dbraw/zinc/10/85/02/135108502.db2.gz UROYYFHJKTYTRW-MNOVXSKESA-N 2 2 216.300 0.392 20 0 BCADLP CCOCCC[N@@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000252785559 135109957 /nfs/dbraw/zinc/10/99/57/135109957.db2.gz YSNHJFIZBUFDTF-NWDGAFQWSA-N 2 2 230.352 0.851 20 0 BCADLP CCOCCC[N@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000252785559 135109959 /nfs/dbraw/zinc/10/99/59/135109959.db2.gz YSNHJFIZBUFDTF-NWDGAFQWSA-N 2 2 230.352 0.851 20 0 BCADLP C[C@H](C[S@](C)=O)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252815482 135111780 /nfs/dbraw/zinc/11/17/80/135111780.db2.gz VFNVALAVGMBGCV-OZWUEAAUSA-N 2 2 232.393 0.826 20 0 BCADLP C[C@H](C[S@](C)=O)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252815482 135111781 /nfs/dbraw/zinc/11/17/81/135111781.db2.gz VFNVALAVGMBGCV-OZWUEAAUSA-N 2 2 232.393 0.826 20 0 BCADLP C[N@@H+](Cc1ccc(F)c(F)c1)C[C@@H](O)C[NH3+] ZINC000258801110 135134078 /nfs/dbraw/zinc/13/40/78/135134078.db2.gz CFGACBSWHHTVMJ-VIFPVBQESA-N 2 2 230.258 0.716 20 0 BCADLP C[N@H+](Cc1ccc(F)c(F)c1)C[C@@H](O)C[NH3+] ZINC000258801110 135134079 /nfs/dbraw/zinc/13/40/79/135134079.db2.gz CFGACBSWHHTVMJ-VIFPVBQESA-N 2 2 230.258 0.716 20 0 BCADLP Cc1[nH]ncc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000257764749 135142109 /nfs/dbraw/zinc/14/21/09/135142109.db2.gz ZAAZEKDLPIQTJR-ZDUSSCGKSA-N 2 2 249.362 0.198 20 0 BCADLP Cc1[nH]ncc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000257764749 135142110 /nfs/dbraw/zinc/14/21/10/135142110.db2.gz ZAAZEKDLPIQTJR-ZDUSSCGKSA-N 2 2 249.362 0.198 20 0 BCADLP C[NH2+]CCC[N@H+](C)CC(=O)NCC1CC1 ZINC000087472701 135142221 /nfs/dbraw/zinc/14/22/21/135142221.db2.gz GGTKZKDPTHQDOE-UHFFFAOYSA-N 2 2 213.325 0.054 20 0 BCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NCC1CC1 ZINC000087472701 135142222 /nfs/dbraw/zinc/14/22/22/135142222.db2.gz GGTKZKDPTHQDOE-UHFFFAOYSA-N 2 2 213.325 0.054 20 0 BCADLP CCCCNC(=O)[C@@H](C)[N@H+](C)CCC[NH2+]C ZINC000087472644 135142303 /nfs/dbraw/zinc/14/23/03/135142303.db2.gz RFUNOYYGBXNUMN-LLVKDONJSA-N 2 2 229.368 0.833 20 0 BCADLP CCCCNC(=O)[C@@H](C)[N@@H+](C)CCC[NH2+]C ZINC000087472644 135142304 /nfs/dbraw/zinc/14/23/04/135142304.db2.gz RFUNOYYGBXNUMN-LLVKDONJSA-N 2 2 229.368 0.833 20 0 BCADLP CCN(CC)C(=O)C[N@H+](C)CCC[NH2+]C ZINC000087472812 135142313 /nfs/dbraw/zinc/14/23/13/135142313.db2.gz AUEFHOFCYDXPOB-UHFFFAOYSA-N 2 2 215.341 0.396 20 0 BCADLP CCN(CC)C(=O)C[N@@H+](C)CCC[NH2+]C ZINC000087472812 135142314 /nfs/dbraw/zinc/14/23/14/135142314.db2.gz AUEFHOFCYDXPOB-UHFFFAOYSA-N 2 2 215.341 0.396 20 0 BCADLP Cc1cnn(CC[N@@H+](C)[C@H]2CC[NH2+]C2)c1 ZINC000261529536 135155671 /nfs/dbraw/zinc/15/56/71/135155671.db2.gz AYZKRFHYOSJLKR-NSHDSACASA-N 2 2 208.309 0.485 20 0 BCADLP Cc1cnn(CC[N@H+](C)[C@H]2CC[NH2+]C2)c1 ZINC000261529536 135155673 /nfs/dbraw/zinc/15/56/73/135155673.db2.gz AYZKRFHYOSJLKR-NSHDSACASA-N 2 2 208.309 0.485 20 0 BCADLP C[C@@H]1C[N@H+](CCc2cccnc2)C[C@H]1[NH3+] ZINC000261531225 135159613 /nfs/dbraw/zinc/15/96/13/135159613.db2.gz FTQSGMDAIISNIO-ZYHUDNBSSA-N 2 2 205.305 0.903 20 0 BCADLP C[C@@H]1C[N@@H+](CCc2cccnc2)C[C@H]1[NH3+] ZINC000261531225 135159615 /nfs/dbraw/zinc/15/96/15/135159615.db2.gz FTQSGMDAIISNIO-ZYHUDNBSSA-N 2 2 205.305 0.903 20 0 BCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cncn1C ZINC000261531580 135161217 /nfs/dbraw/zinc/16/12/17/135161217.db2.gz HEAPGEDDDNWJIJ-LLVKDONJSA-N 2 2 210.325 0.883 20 0 BCADLP c1cn(CCC[NH2+]C[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000087646295 135161297 /nfs/dbraw/zinc/16/12/97/135161297.db2.gz DINCDVIUCVFZIT-GFCCVEGCSA-N 3 2 222.336 0.862 20 0 BCADLP C[N@H+](CC(=O)N1CCCC1)C1CC([NH3+])C1 ZINC000087653331 135161388 /nfs/dbraw/zinc/16/13/88/135161388.db2.gz QAZKCUJZDDARSD-UHFFFAOYSA-N 2 2 211.309 0.030 20 0 BCADLP C[N@@H+](CC(=O)N1CCCC1)C1CC([NH3+])C1 ZINC000087653331 135161389 /nfs/dbraw/zinc/16/13/89/135161389.db2.gz QAZKCUJZDDARSD-UHFFFAOYSA-N 2 2 211.309 0.030 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000261533116 135164061 /nfs/dbraw/zinc/16/40/61/135164061.db2.gz VQYXBUFGPXHUEZ-WPRPVWTQSA-N 2 2 221.260 0.051 20 0 BCADLP CCOC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261534207 135167321 /nfs/dbraw/zinc/16/73/21/135167321.db2.gz LVWOHLSHQNEZRQ-KOLCDFICSA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261534207 135167323 /nfs/dbraw/zinc/16/73/23/135167323.db2.gz LVWOHLSHQNEZRQ-KOLCDFICSA-N 2 2 214.309 0.609 20 0 BCADLP [NH3+]CC[N@H+](CCO)CCc1ccccc1 ZINC000261536769 135172571 /nfs/dbraw/zinc/17/25/71/135172571.db2.gz SVJVXFUUDNJPSL-UHFFFAOYSA-N 2 2 208.305 0.482 20 0 BCADLP [NH3+]CC[N@@H+](CCO)CCc1ccccc1 ZINC000261536769 135172573 /nfs/dbraw/zinc/17/25/73/135172573.db2.gz SVJVXFUUDNJPSL-UHFFFAOYSA-N 2 2 208.305 0.482 20 0 BCADLP C[N@@H+](Cc1cc[nH]n1)C[C@@H]1CCC[NH2+]C1 ZINC000261539976 135178382 /nfs/dbraw/zinc/17/83/82/135178382.db2.gz DJQDPVKYRSGWTR-SNVBAGLBSA-N 2 2 208.309 0.841 20 0 BCADLP C[N@H+](Cc1cc[nH]n1)C[C@@H]1CCC[NH2+]C1 ZINC000261539976 135178384 /nfs/dbraw/zinc/17/83/84/135178384.db2.gz DJQDPVKYRSGWTR-SNVBAGLBSA-N 2 2 208.309 0.841 20 0 BCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CCO2)C1(C)C ZINC000261540994 135179830 /nfs/dbraw/zinc/17/98/30/135179830.db2.gz IDIVZZHGQCYSSU-GRYCIOLGSA-N 2 2 242.363 0.768 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261541861 135181781 /nfs/dbraw/zinc/18/17/81/135181781.db2.gz BRDFVLPIXLGXEM-AAEUAGOBSA-N 2 2 239.363 0.587 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261541861 135181783 /nfs/dbraw/zinc/18/17/83/135181783.db2.gz BRDFVLPIXLGXEM-AAEUAGOBSA-N 2 2 239.363 0.587 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261541838 135182008 /nfs/dbraw/zinc/18/20/08/135182008.db2.gz BOXGZZYXLPXCEL-CYBMUJFWSA-N 2 2 239.363 0.444 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261541838 135182010 /nfs/dbraw/zinc/18/20/10/135182010.db2.gz BOXGZZYXLPXCEL-CYBMUJFWSA-N 2 2 239.363 0.444 20 0 BCADLP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)nn1 ZINC000261542250 135182750 /nfs/dbraw/zinc/18/27/50/135182750.db2.gz OHGGIJDQUWHWBL-DLOVCJGASA-N 2 2 235.335 0.374 20 0 BCADLP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)nn1 ZINC000261542250 135182751 /nfs/dbraw/zinc/18/27/51/135182751.db2.gz OHGGIJDQUWHWBL-DLOVCJGASA-N 2 2 235.335 0.374 20 0 BCADLP Cc1csc(=O)n1CC[N@@H+](C)[C@@H](C)C[NH3+] ZINC000261543441 135184136 /nfs/dbraw/zinc/18/41/36/135184136.db2.gz HUCBJTYQRAJTLV-QMMMGPOBSA-N 2 2 229.349 0.497 20 0 BCADLP Cc1csc(=O)n1CC[N@H+](C)[C@@H](C)C[NH3+] ZINC000261543441 135184137 /nfs/dbraw/zinc/18/41/37/135184137.db2.gz HUCBJTYQRAJTLV-QMMMGPOBSA-N 2 2 229.349 0.497 20 0 BCADLP Cc1csc(=O)n1CC[N@@H+](C)[C@H](C)C[NH3+] ZINC000261543440 135184219 /nfs/dbraw/zinc/18/42/19/135184219.db2.gz HUCBJTYQRAJTLV-MRVPVSSYSA-N 2 2 229.349 0.497 20 0 BCADLP Cc1csc(=O)n1CC[N@H+](C)[C@H](C)C[NH3+] ZINC000261543440 135184220 /nfs/dbraw/zinc/18/42/20/135184220.db2.gz HUCBJTYQRAJTLV-MRVPVSSYSA-N 2 2 229.349 0.497 20 0 BCADLP CC(C)[C@@](C)(O)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000261551591 135190688 /nfs/dbraw/zinc/19/06/88/135190688.db2.gz MHOJYVCOHYAFMT-UPJWGTAASA-N 2 2 244.379 0.750 20 0 BCADLP COCC[N@H+](CC(C)(C)[NH3+])[C@H]1CCOC1 ZINC000261552128 135191307 /nfs/dbraw/zinc/19/13/07/135191307.db2.gz QYVNSMBQJJLANY-JTQLQIEISA-N 2 2 216.325 0.461 20 0 BCADLP COCC[N@@H+](CC(C)(C)[NH3+])[C@H]1CCOC1 ZINC000261552128 135191309 /nfs/dbraw/zinc/19/13/09/135191309.db2.gz QYVNSMBQJJLANY-JTQLQIEISA-N 2 2 216.325 0.461 20 0 BCADLP COCC[N@H+](CC(C)(C)[NH3+])[C@@H]1CCOC1 ZINC000261552130 135191391 /nfs/dbraw/zinc/19/13/91/135191391.db2.gz QYVNSMBQJJLANY-SNVBAGLBSA-N 2 2 216.325 0.461 20 0 BCADLP COCC[N@@H+](CC(C)(C)[NH3+])[C@@H]1CCOC1 ZINC000261552130 135191392 /nfs/dbraw/zinc/19/13/92/135191392.db2.gz QYVNSMBQJJLANY-SNVBAGLBSA-N 2 2 216.325 0.461 20 0 BCADLP CC[C@@H](C)NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000261555411 135195279 /nfs/dbraw/zinc/19/52/79/135195279.db2.gz UXDZUHBSWAJCRS-SECBINFHSA-N 2 2 213.325 0.372 20 0 BCADLP C[C@@H]1CCC[N@H+](CCOCC[NH3+])[C@@H]1C[NH3+] ZINC000261555497 135195391 /nfs/dbraw/zinc/19/53/91/135195391.db2.gz VBYBWGADLDPPID-GHMZBOCLSA-N 3 2 215.341 0.021 20 0 BCADLP C[C@@H]1CCC[N@@H+](CCOCC[NH3+])[C@@H]1C[NH3+] ZINC000261555497 135195393 /nfs/dbraw/zinc/19/53/93/135195393.db2.gz VBYBWGADLDPPID-GHMZBOCLSA-N 3 2 215.341 0.021 20 0 BCADLP CCCNC(=O)[C@H]1CCC[N@H+](CC[NH3+])C1 ZINC000261556201 135196114 /nfs/dbraw/zinc/19/61/14/135196114.db2.gz VRCOQIHDDOTLEX-JTQLQIEISA-N 2 2 213.325 0.183 20 0 BCADLP CCCNC(=O)[C@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000261556201 135196115 /nfs/dbraw/zinc/19/61/15/135196115.db2.gz VRCOQIHDDOTLEX-JTQLQIEISA-N 2 2 213.325 0.183 20 0 BCADLP Cc1nn(C)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261557789 135198427 /nfs/dbraw/zinc/19/84/27/135198427.db2.gz SASVJUNRINAXMV-RYUDHWBXSA-N 2 2 234.347 0.770 20 0 BCADLP Cc1nn(C)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261557789 135198429 /nfs/dbraw/zinc/19/84/29/135198429.db2.gz SASVJUNRINAXMV-RYUDHWBXSA-N 2 2 234.347 0.770 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261561548 135203035 /nfs/dbraw/zinc/20/30/35/135203035.db2.gz ASUDMAJSHJNACP-PWSUYJOCSA-N 2 2 227.352 0.572 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261561548 135203036 /nfs/dbraw/zinc/20/30/36/135203036.db2.gz ASUDMAJSHJNACP-PWSUYJOCSA-N 2 2 227.352 0.572 20 0 BCADLP CC(C)(C)NC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261563348 135204961 /nfs/dbraw/zinc/20/49/61/135204961.db2.gz WZDJQVFGBWJUQA-GHMZBOCLSA-N 2 2 239.363 0.585 20 0 BCADLP CC(C)(C)NC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261563348 135204962 /nfs/dbraw/zinc/20/49/62/135204962.db2.gz WZDJQVFGBWJUQA-GHMZBOCLSA-N 2 2 239.363 0.585 20 0 BCADLP Cc1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)nc[nH+]1 ZINC000261564789 135206618 /nfs/dbraw/zinc/20/66/18/135206618.db2.gz CRGRRCAAMGRUQD-WDEREUQCSA-N 2 2 218.304 0.831 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000261565222 135206829 /nfs/dbraw/zinc/20/68/29/135206829.db2.gz CYNDAOQULWSVQY-VHSXEESVSA-N 2 2 213.325 0.311 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000261565222 135206830 /nfs/dbraw/zinc/20/68/30/135206830.db2.gz CYNDAOQULWSVQY-VHSXEESVSA-N 2 2 213.325 0.311 20 0 BCADLP CC1(C)C[N@H+](CCn2cc[nH+]c2)C[C@H](CO)O1 ZINC000163846798 135208559 /nfs/dbraw/zinc/20/85/59/135208559.db2.gz PSUZJTLLFMJKIB-LLVKDONJSA-N 2 2 239.319 0.355 20 0 BCADLP CC1(C)C[N@@H+](CCn2cc[nH+]c2)C[C@H](CO)O1 ZINC000163846798 135208561 /nfs/dbraw/zinc/20/85/61/135208561.db2.gz PSUZJTLLFMJKIB-LLVKDONJSA-N 2 2 239.319 0.355 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261566652 135208705 /nfs/dbraw/zinc/20/87/05/135208705.db2.gz ZKBIIUQNZIJNRQ-GMTAPVOTSA-N 2 2 237.347 0.195 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261566652 135208707 /nfs/dbraw/zinc/20/87/07/135208707.db2.gz ZKBIIUQNZIJNRQ-GMTAPVOTSA-N 2 2 237.347 0.195 20 0 BCADLP CCC[N@H+](CCn1cncn1)[C@H]1CC[NH2+]C1 ZINC000261568758 135209971 /nfs/dbraw/zinc/20/99/71/135209971.db2.gz FWBZEPMNXQSYTI-NSHDSACASA-N 2 2 223.324 0.352 20 0 BCADLP CCC[N@@H+](CCn1cncn1)[C@H]1CC[NH2+]C1 ZINC000261568758 135209973 /nfs/dbraw/zinc/20/99/73/135209973.db2.gz FWBZEPMNXQSYTI-NSHDSACASA-N 2 2 223.324 0.352 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](CC[C@H]2CCOC2)CCO1 ZINC000261570394 135212690 /nfs/dbraw/zinc/21/26/90/135212690.db2.gz GVOXTHDEROKPGD-WDEREUQCSA-N 2 2 214.309 0.073 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](CC[C@H]2CCOC2)CCO1 ZINC000261570394 135212692 /nfs/dbraw/zinc/21/26/92/135212692.db2.gz GVOXTHDEROKPGD-WDEREUQCSA-N 2 2 214.309 0.073 20 0 BCADLP Cc1[nH]ncc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261572004 135214047 /nfs/dbraw/zinc/21/40/47/135214047.db2.gz HYJUGLMDBHIESU-WCBMZHEXSA-N 2 2 208.309 0.887 20 0 BCADLP Cc1[nH]ncc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261572004 135214049 /nfs/dbraw/zinc/21/40/49/135214049.db2.gz HYJUGLMDBHIESU-WCBMZHEXSA-N 2 2 208.309 0.887 20 0 BCADLP Cn1nccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261573072 135214734 /nfs/dbraw/zinc/21/47/34/135214734.db2.gz ILRQIIVABZHENV-ZYHUDNBSSA-N 2 2 220.320 0.604 20 0 BCADLP Cn1nccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261573072 135214735 /nfs/dbraw/zinc/21/47/35/135214735.db2.gz ILRQIIVABZHENV-ZYHUDNBSSA-N 2 2 220.320 0.604 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261578188 135219154 /nfs/dbraw/zinc/21/91/54/135219154.db2.gz LNTMSIUSRVECQN-MNOVXSKESA-N 2 2 225.336 0.054 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261578188 135219155 /nfs/dbraw/zinc/21/91/55/135219155.db2.gz LNTMSIUSRVECQN-MNOVXSKESA-N 2 2 225.336 0.054 20 0 BCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC[NH3+])C1 ZINC000261587961 135228517 /nfs/dbraw/zinc/22/85/17/135228517.db2.gz SAIIHLVSCUPMIZ-GFCCVEGCSA-N 3 2 229.368 0.378 20 0 BCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC[NH3+])C1 ZINC000261587961 135228518 /nfs/dbraw/zinc/22/85/18/135228518.db2.gz SAIIHLVSCUPMIZ-GFCCVEGCSA-N 3 2 229.368 0.378 20 0 BCADLP Cn1ncc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])n1 ZINC000261589692 135229881 /nfs/dbraw/zinc/22/98/81/135229881.db2.gz UCNKIGWMZXMIIC-LLVKDONJSA-N 2 2 223.324 0.518 20 0 BCADLP Cn1ncc(C[N@H+]2CCCC[C@@H]2CC[NH3+])n1 ZINC000261589692 135229883 /nfs/dbraw/zinc/22/98/83/135229883.db2.gz UCNKIGWMZXMIIC-LLVKDONJSA-N 2 2 223.324 0.518 20 0 BCADLP Cc1nn(C)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261546266 135238362 /nfs/dbraw/zinc/23/83/62/135238362.db2.gz GUGUUWQEVNWYKU-YPMHNXCESA-N 2 2 234.347 0.912 20 0 BCADLP Cc1nn(C)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261546266 135238364 /nfs/dbraw/zinc/23/83/64/135238364.db2.gz GUGUUWQEVNWYKU-YPMHNXCESA-N 2 2 234.347 0.912 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000261651214 135242531 /nfs/dbraw/zinc/24/25/31/135242531.db2.gz FCPWHSMBCYJYCU-ZDUSSCGKSA-N 2 2 239.363 0.573 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000261651214 135242533 /nfs/dbraw/zinc/24/25/33/135242533.db2.gz FCPWHSMBCYJYCU-ZDUSSCGKSA-N 2 2 239.363 0.573 20 0 BCADLP C[C@@H]1C[N@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1[NH3+] ZINC000261690803 135245911 /nfs/dbraw/zinc/24/59/11/135245911.db2.gz AXRUBIWZVJBMMK-MWLCHTKSSA-N 2 2 245.330 0.747 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1[NH3+] ZINC000261690803 135245913 /nfs/dbraw/zinc/24/59/13/135245913.db2.gz AXRUBIWZVJBMMK-MWLCHTKSSA-N 2 2 245.330 0.747 20 0 BCADLP CO[C@H](C)C[N@H+](Cc1noc(C[NH3+])n1)C(C)C ZINC000261741175 135248873 /nfs/dbraw/zinc/24/88/73/135248873.db2.gz MQMNLLRIHAFUIS-SECBINFHSA-N 2 2 242.323 0.774 20 0 BCADLP CO[C@H](C)C[N@@H+](Cc1noc(C[NH3+])n1)C(C)C ZINC000261741175 135248874 /nfs/dbraw/zinc/24/88/74/135248874.db2.gz MQMNLLRIHAFUIS-SECBINFHSA-N 2 2 242.323 0.774 20 0 BCADLP CCNC(=O)C[N@H+](CC)C[C@]1(C)CC[NH2+]C1 ZINC000261734850 135248887 /nfs/dbraw/zinc/24/88/87/135248887.db2.gz HRWZFPONIIOUSE-GFCCVEGCSA-N 2 2 227.352 0.444 20 0 BCADLP CCNC(=O)C[N@@H+](CC)C[C@]1(C)CC[NH2+]C1 ZINC000261734850 135248888 /nfs/dbraw/zinc/24/88/88/135248888.db2.gz HRWZFPONIIOUSE-GFCCVEGCSA-N 2 2 227.352 0.444 20 0 BCADLP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CC(=O)N1C ZINC000261765556 135251106 /nfs/dbraw/zinc/25/11/06/135251106.db2.gz LUVVACOSHFLIDX-ZYHUDNBSSA-N 2 2 225.336 0.149 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CC(=O)N1C ZINC000261765556 135251107 /nfs/dbraw/zinc/25/11/07/135251107.db2.gz LUVVACOSHFLIDX-ZYHUDNBSSA-N 2 2 225.336 0.149 20 0 BCADLP C[C@H]([NH3+])CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000261781266 135252515 /nfs/dbraw/zinc/25/25/15/135252515.db2.gz BENUVXMJCLQUHH-QWRGUYRKSA-N 2 2 248.330 0.514 20 0 BCADLP COC(=O)C(C)(C)CC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000261809348 135254166 /nfs/dbraw/zinc/25/41/66/135254166.db2.gz HNZJPNYURSMWHU-SNVBAGLBSA-N 2 2 228.336 0.999 20 0 BCADLP COC(=O)C(C)(C)CC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000261809348 135254167 /nfs/dbraw/zinc/25/41/67/135254167.db2.gz HNZJPNYURSMWHU-SNVBAGLBSA-N 2 2 228.336 0.999 20 0 BCADLP C[C@@]1(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000261866168 135257811 /nfs/dbraw/zinc/25/78/11/135257811.db2.gz NVFCNIGFBVIVNT-GHMZBOCLSA-N 2 2 246.376 0.105 20 0 BCADLP C[C@@]1(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000261866168 135257813 /nfs/dbraw/zinc/25/78/13/135257813.db2.gz NVFCNIGFBVIVNT-GHMZBOCLSA-N 2 2 246.376 0.105 20 0 BCADLP C[C@@H]([NH3+])CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000261872776 135259197 /nfs/dbraw/zinc/25/91/97/135259197.db2.gz QYBPTNFHPYLZBQ-SECBINFHSA-N 2 2 236.319 0.853 20 0 BCADLP C[C@@H]([NH3+])CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000261872776 135259199 /nfs/dbraw/zinc/25/91/99/135259199.db2.gz QYBPTNFHPYLZBQ-SECBINFHSA-N 2 2 236.319 0.853 20 0 BCADLP O=C(Cc1cn2ccccc2[nH+]1)NCC1C[NH2+]C1 ZINC000261928870 135263707 /nfs/dbraw/zinc/26/37/07/135263707.db2.gz BXKITTBRMDXLON-UHFFFAOYSA-N 2 2 244.298 0.212 20 0 BCADLP CC(C)(C)n1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)nn1 ZINC000261949688 135265558 /nfs/dbraw/zinc/26/55/58/135265558.db2.gz NSAIHFFIDMSSBP-JTQLQIEISA-N 2 2 237.351 0.814 20 0 BCADLP CC(C)(C)n1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)nn1 ZINC000261949688 135265559 /nfs/dbraw/zinc/26/55/59/135265559.db2.gz NSAIHFFIDMSSBP-JTQLQIEISA-N 2 2 237.351 0.814 20 0 BCADLP Cc1ccc2[nH+]c(CN(CC[NH3+])CCO)cn2c1 ZINC000342394204 135271113 /nfs/dbraw/zinc/27/11/13/135271113.db2.gz XNCMDQFUGJPXFW-UHFFFAOYSA-N 2 2 248.330 0.396 20 0 BCADLP COC[C@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000262017585 135273425 /nfs/dbraw/zinc/27/34/25/135273425.db2.gz MVXHWHHFUYJICM-NEPJUHHUSA-N 2 2 228.336 0.333 20 0 BCADLP COC[C@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000262017585 135273427 /nfs/dbraw/zinc/27/34/27/135273427.db2.gz MVXHWHHFUYJICM-NEPJUHHUSA-N 2 2 228.336 0.333 20 0 BCADLP O=C(NCC1C[NH2+]C1)c1ccc2[nH+]ccn2c1 ZINC000262041988 135275709 /nfs/dbraw/zinc/27/57/09/135275709.db2.gz SJIKOMLKCJFMOW-UHFFFAOYSA-N 2 2 230.271 0.284 20 0 BCADLP COC(=O)C(C)(C)CC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000262046613 135276231 /nfs/dbraw/zinc/27/62/31/135276231.db2.gz ZBCXKYYBGMSGHX-JTQLQIEISA-N 2 2 244.335 0.235 20 0 BCADLP COC(=O)C(C)(C)CC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000262046613 135276233 /nfs/dbraw/zinc/27/62/33/135276233.db2.gz ZBCXKYYBGMSGHX-JTQLQIEISA-N 2 2 244.335 0.235 20 0 BCADLP COC(=O)C(C)(C)CC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000262046614 135276294 /nfs/dbraw/zinc/27/62/94/135276294.db2.gz ZBCXKYYBGMSGHX-SNVBAGLBSA-N 2 2 244.335 0.235 20 0 BCADLP COC(=O)C(C)(C)CC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000262046614 135276296 /nfs/dbraw/zinc/27/62/96/135276296.db2.gz ZBCXKYYBGMSGHX-SNVBAGLBSA-N 2 2 244.335 0.235 20 0 BCADLP C[C@H](C[NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000262367712 135297674 /nfs/dbraw/zinc/29/76/74/135297674.db2.gz LGLFHZPCZPFMEB-ZJUUUORDSA-N 2 2 236.319 0.711 20 0 BCADLP [NH3+]CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000262933615 135323930 /nfs/dbraw/zinc/32/39/30/135323930.db2.gz IBOLKIIZEDDWPO-UHFFFAOYSA-N 3 2 241.379 0.522 20 0 BCADLP Cn1nccc1[C@@H]1CCC[N@H+](CC[NH3+])C1 ZINC000263084556 135332218 /nfs/dbraw/zinc/33/22/18/135332218.db2.gz XUUCNSPUKFVDDA-SNVBAGLBSA-N 2 2 208.309 0.558 20 0 BCADLP Cn1nccc1[C@@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000263084556 135332220 /nfs/dbraw/zinc/33/22/20/135332220.db2.gz XUUCNSPUKFVDDA-SNVBAGLBSA-N 2 2 208.309 0.558 20 0 BCADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC000081516193 135387138 /nfs/dbraw/zinc/38/71/38/135387138.db2.gz DIXLZKLFJXUOQO-GFCCVEGCSA-N 2 2 241.379 0.738 20 0 BCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC000081516193 135387140 /nfs/dbraw/zinc/38/71/40/135387140.db2.gz DIXLZKLFJXUOQO-GFCCVEGCSA-N 2 2 241.379 0.738 20 0 BCADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC000081516193 135387141 /nfs/dbraw/zinc/38/71/41/135387141.db2.gz DIXLZKLFJXUOQO-GFCCVEGCSA-N 2 2 241.379 0.738 20 0 BCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC000081516193 135387143 /nfs/dbraw/zinc/38/71/43/135387143.db2.gz DIXLZKLFJXUOQO-GFCCVEGCSA-N 2 2 241.379 0.738 20 0 BCADLP Cc1cn2cc(NC(=O)NC3C[NH2+]C3)ccc2[nH+]1 ZINC000334840880 135820231 /nfs/dbraw/zinc/82/02/31/135820231.db2.gz CZEHEVZTLJQSSK-UHFFFAOYSA-N 2 2 245.286 0.736 20 0 BCADLP CC[NH+]1CCN(CCc2c[nH+]cn2C)CC1 ZINC000347734144 136004406 /nfs/dbraw/zinc/00/44/06/136004406.db2.gz YNWIDXXTDJAEAB-UHFFFAOYSA-N 2 2 222.336 0.600 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c[nH+]1 ZINC000335374074 136084615 /nfs/dbraw/zinc/08/46/15/136084615.db2.gz WHYQWICYNOWZTH-RKDXNWHRSA-N 2 2 222.292 0.575 20 0 BCADLP [NH3+]CC[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000335393395 136091668 /nfs/dbraw/zinc/09/16/68/136091668.db2.gz CNLXDKFMAXHMHF-CMPLNLGQSA-N 2 2 237.347 0.420 20 0 BCADLP [NH3+]CC[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000335393395 136091669 /nfs/dbraw/zinc/09/16/69/136091669.db2.gz CNLXDKFMAXHMHF-CMPLNLGQSA-N 2 2 237.347 0.420 20 0 BCADLP CN1CC[C@@H]([N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000335570404 136109352 /nfs/dbraw/zinc/10/93/52/136109352.db2.gz OHCSBUBGNCEUOZ-YPMHNXCESA-N 2 2 237.347 0.245 20 0 BCADLP CN1CC[C@@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000335570404 136109353 /nfs/dbraw/zinc/10/93/53/136109353.db2.gz OHCSBUBGNCEUOZ-YPMHNXCESA-N 2 2 237.347 0.245 20 0 BCADLP CN1CC[C@@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1=O ZINC000335570404 136109354 /nfs/dbraw/zinc/10/93/54/136109354.db2.gz OHCSBUBGNCEUOZ-YPMHNXCESA-N 2 2 237.347 0.245 20 0 BCADLP CN1CC[C@@H]([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000335570404 136109355 /nfs/dbraw/zinc/10/93/55/136109355.db2.gz OHCSBUBGNCEUOZ-YPMHNXCESA-N 2 2 237.347 0.245 20 0 BCADLP Cn1cc(CC[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cn1 ZINC000367048411 136113661 /nfs/dbraw/zinc/11/36/61/136113661.db2.gz UXIHUWADVCANLM-KGLIPLIRSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1cc(CC[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cn1 ZINC000367048411 136113662 /nfs/dbraw/zinc/11/36/62/136113662.db2.gz UXIHUWADVCANLM-KGLIPLIRSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1cc(CC[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cn1 ZINC000367048411 136113663 /nfs/dbraw/zinc/11/36/63/136113663.db2.gz UXIHUWADVCANLM-KGLIPLIRSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1cc(CC[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cn1 ZINC000367048411 136113664 /nfs/dbraw/zinc/11/36/64/136113664.db2.gz UXIHUWADVCANLM-KGLIPLIRSA-N 2 2 248.374 0.989 20 0 BCADLP C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1c[nH+]cn1C ZINC000647540219 397782170 /nfs/dbraw/zinc/78/21/70/397782170.db2.gz BIUPPRMAFDTWSH-UWVGGRQHSA-N 2 2 226.299 0.552 20 0 BCADLP C[NH+](C)CC(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000647628408 397792994 /nfs/dbraw/zinc/79/29/94/397792994.db2.gz KXAPSXUFOXNLQR-GHMZBOCLSA-N 2 2 243.326 0.193 20 0 BCADLP CC(C)NC(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000390431663 397889304 /nfs/dbraw/zinc/88/93/04/397889304.db2.gz PTVFILCHXILMPV-UHFFFAOYSA-N 2 2 213.325 0.324 20 0 BCADLP C[C@@H](CC[NH+](C)C)NC(=O)CCn1cc[nH+]c1 ZINC000264979551 397929152 /nfs/dbraw/zinc/92/91/52/397929152.db2.gz ZUNQQSXTMSLHTB-NSHDSACASA-N 2 2 238.335 0.730 20 0 BCADLP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000647891438 397934924 /nfs/dbraw/zinc/93/49/24/397934924.db2.gz BQECYHAOVRSZFM-AGIUHOORSA-N 2 2 240.347 0.476 20 0 BCADLP C([C@@H]1CC[NH2+]C1)[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000647891438 397934928 /nfs/dbraw/zinc/93/49/28/397934928.db2.gz BQECYHAOVRSZFM-AGIUHOORSA-N 2 2 240.347 0.476 20 0 BCADLP CS(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000082594362 397965560 /nfs/dbraw/zinc/96/55/60/397965560.db2.gz BINVEABOFQFKNF-LLVKDONJSA-N 2 2 248.392 0.624 20 0 BCADLP CS(=O)(=O)CCC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000082594362 397965563 /nfs/dbraw/zinc/96/55/63/397965563.db2.gz BINVEABOFQFKNF-LLVKDONJSA-N 2 2 248.392 0.624 20 0 BCADLP O=C1OCC[C@H]1[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266890198 397940056 /nfs/dbraw/zinc/94/00/56/397940056.db2.gz CQSKLBXXXFOUCA-NXEZZACHSA-N 2 2 235.287 0.905 20 0 BCADLP O=C1OCC[C@H]1[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266890198 397940063 /nfs/dbraw/zinc/94/00/63/397940063.db2.gz CQSKLBXXXFOUCA-NXEZZACHSA-N 2 2 235.287 0.905 20 0 BCADLP O=C1CC[C@@H](C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)N1 ZINC000649563475 397953061 /nfs/dbraw/zinc/95/30/61/397953061.db2.gz RKPKFYOZCVFHTH-NSHDSACASA-N 2 2 248.330 0.868 20 0 BCADLP O=C1OCC[C@@H]2CC[N@H+](CCCn3cc[nH+]c3)[C@H]12 ZINC000364338978 397895426 /nfs/dbraw/zinc/89/54/26/397895426.db2.gz BZDPDYAHAJOMBH-RYUDHWBXSA-N 2 2 249.314 0.911 20 0 BCADLP O=C1OCC[C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)[C@H]12 ZINC000364338978 397895429 /nfs/dbraw/zinc/89/54/29/397895429.db2.gz BZDPDYAHAJOMBH-RYUDHWBXSA-N 2 2 249.314 0.911 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCCO)C1 ZINC000373116480 398013750 /nfs/dbraw/zinc/01/37/50/398013750.db2.gz WLTQUWLJZJOMGF-NSHDSACASA-N 2 2 223.320 0.982 20 0 BCADLP CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000375431422 398023783 /nfs/dbraw/zinc/02/37/83/398023783.db2.gz NXIMVYHDVYBQGM-QMMMGPOBSA-N 2 2 249.305 0.488 20 0 BCADLP C[C@@H]([NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000083909161 398035821 /nfs/dbraw/zinc/03/58/21/398035821.db2.gz RJBGDSFNXYARPV-MRVPVSSYSA-N 2 2 218.260 0.298 20 0 BCADLP COc1ccncc1C[N@H+](C)CCC[NH3+] ZINC000389588111 397985250 /nfs/dbraw/zinc/98/52/50/397985250.db2.gz KJGGMMCOHARXJR-UHFFFAOYSA-N 2 2 209.293 0.871 20 0 BCADLP COc1ccncc1C[N@@H+](C)CCC[NH3+] ZINC000389588111 397985255 /nfs/dbraw/zinc/98/52/55/397985255.db2.gz KJGGMMCOHARXJR-UHFFFAOYSA-N 2 2 209.293 0.871 20 0 BCADLP CC[C@](C)([NH3+])c1cn(Cc2[nH+]ccn2C)nn1 ZINC000384205004 398074873 /nfs/dbraw/zinc/07/48/73/398074873.db2.gz MYMWSSZBXYCVBJ-NSHDSACASA-N 2 2 234.307 0.644 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000390771421 398098187 /nfs/dbraw/zinc/09/81/87/398098187.db2.gz WINNLCPGBVQJHJ-VXGBXAGGSA-N 3 2 211.353 0.527 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000390771421 398098189 /nfs/dbraw/zinc/09/81/89/398098189.db2.gz WINNLCPGBVQJHJ-VXGBXAGGSA-N 3 2 211.353 0.527 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000414933707 398114484 /nfs/dbraw/zinc/11/44/84/398114484.db2.gz SGCPGZZJSZMHQU-UTUOFQBUSA-N 2 2 222.336 0.859 20 0 BCADLP CC(C)NC(=O)CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336655684 167044331 /nfs/dbraw/zinc/04/43/31/167044331.db2.gz HQCBFLBCMNHTHZ-WDEREUQCSA-N 2 2 227.352 0.441 20 0 BCADLP CC(C)NC(=O)CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336655684 167044334 /nfs/dbraw/zinc/04/43/34/167044334.db2.gz HQCBFLBCMNHTHZ-WDEREUQCSA-N 2 2 227.352 0.441 20 0 BCADLP CC(C)[NH2+]CC[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000309075234 167107370 /nfs/dbraw/zinc/10/73/70/167107370.db2.gz JKGGGHUABWKJCB-SNVBAGLBSA-N 2 2 213.325 0.182 20 0 BCADLP CC(C)[NH2+]CC[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000309075234 167107372 /nfs/dbraw/zinc/10/73/72/167107372.db2.gz JKGGGHUABWKJCB-SNVBAGLBSA-N 2 2 213.325 0.182 20 0 BCADLP C[NH2+]CCNc1cc(N2CCCC2)[nH+]cn1 ZINC000259101250 322881739 /nfs/dbraw/zinc/88/17/39/322881739.db2.gz ZVCXHVBJDHUVES-UHFFFAOYSA-N 2 2 221.308 0.708 20 0 BCADLP COCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986409 487561222 /nfs/dbraw/zinc/56/12/22/487561222.db2.gz TVZUYVOBNPZVBC-CYBMUJFWSA-N 2 2 242.363 0.820 20 0 BCADLP COCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986409 487561226 /nfs/dbraw/zinc/56/12/26/487561226.db2.gz TVZUYVOBNPZVBC-CYBMUJFWSA-N 2 2 242.363 0.820 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)CC1([NH3+])CCC1 ZINC000086853601 487567665 /nfs/dbraw/zinc/56/76/65/487567665.db2.gz XNJGLMUKHHWFIX-UHFFFAOYSA-N 2 2 222.292 0.308 20 0 BCADLP CC(C)[C@@H](C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653093981 487599725 /nfs/dbraw/zinc/59/97/25/487599725.db2.gz TZMXFMSXLLKKKS-QWRGUYRKSA-N 2 2 229.368 0.674 20 0 BCADLP Cc1[nH+]cc(C[NH+]2CC(C)(C(N)=O)C2)n1C ZINC000668271762 487599833 /nfs/dbraw/zinc/59/98/33/487599833.db2.gz NTQXFVHCIWAQMR-UHFFFAOYSA-N 2 2 222.292 0.036 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1CO ZINC000297868700 487605323 /nfs/dbraw/zinc/60/53/23/487605323.db2.gz PQNDEWHIXOZEHM-GFCCVEGCSA-N 2 2 223.320 0.809 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H]1CO ZINC000297868700 487605327 /nfs/dbraw/zinc/60/53/27/487605327.db2.gz PQNDEWHIXOZEHM-GFCCVEGCSA-N 2 2 223.320 0.809 20 0 BCADLP CO[C@@H](C[N@@H+]1CCO[C@@H](C[NH3+])C1)C1CCC1 ZINC000662264480 409560823 /nfs/dbraw/zinc/56/08/23/409560823.db2.gz DOFWWWAYWNAGST-RYUDHWBXSA-N 2 2 228.336 0.461 20 0 BCADLP CO[C@@H](C[N@H+]1CCO[C@@H](C[NH3+])C1)C1CCC1 ZINC000662264480 409560831 /nfs/dbraw/zinc/56/08/31/409560831.db2.gz DOFWWWAYWNAGST-RYUDHWBXSA-N 2 2 228.336 0.461 20 0 BCADLP CO[C@@H](C[N@@H+]1CCO[C@H](C[NH3+])C1)C1CCC1 ZINC000662264476 409561444 /nfs/dbraw/zinc/56/14/44/409561444.db2.gz DOFWWWAYWNAGST-NEPJUHHUSA-N 2 2 228.336 0.461 20 0 BCADLP CO[C@@H](C[N@H+]1CCO[C@H](C[NH3+])C1)C1CCC1 ZINC000662264476 409561451 /nfs/dbraw/zinc/56/14/51/409561451.db2.gz DOFWWWAYWNAGST-NEPJUHHUSA-N 2 2 228.336 0.461 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(C)ncn2)C1 ZINC000662244733 409534259 /nfs/dbraw/zinc/53/42/59/409534259.db2.gz GJYATRAEPBPVKB-LLVKDONJSA-N 2 2 220.320 0.826 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(C)ncn2)C1 ZINC000662244733 409534269 /nfs/dbraw/zinc/53/42/69/409534269.db2.gz GJYATRAEPBPVKB-LLVKDONJSA-N 2 2 220.320 0.826 20 0 BCADLP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ncn1 ZINC000662243199 409534292 /nfs/dbraw/zinc/53/42/92/409534292.db2.gz GQYLULQXQOTHBN-CABZTGNLSA-N 2 2 220.320 0.954 20 0 BCADLP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ncn1 ZINC000662243199 409534298 /nfs/dbraw/zinc/53/42/98/409534298.db2.gz GQYLULQXQOTHBN-CABZTGNLSA-N 2 2 220.320 0.954 20 0 BCADLP CC(C)OC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662252832 409548711 /nfs/dbraw/zinc/54/87/11/409548711.db2.gz QKBCHFAVJIPZPF-ZDUSSCGKSA-N 2 2 242.363 0.864 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC1(C)CCCC1 ZINC000653073566 409549351 /nfs/dbraw/zinc/54/93/51/409549351.db2.gz FDWWAFAPZAAFJG-JTQLQIEISA-N 2 2 227.352 0.714 20 0 BCADLP CCC(C)(CC)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653090411 409631153 /nfs/dbraw/zinc/63/11/53/409631153.db2.gz OMRYLAAXJMLZPD-SNVBAGLBSA-N 2 2 229.368 0.960 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CC1(C)C ZINC000653090647 409632317 /nfs/dbraw/zinc/63/23/17/409632317.db2.gz WNHHMILLOJIUOT-VHSXEESVSA-N 2 2 227.352 0.428 20 0 BCADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H](O)C1 ZINC000042470388 409586593 /nfs/dbraw/zinc/58/65/93/409586593.db2.gz KGLBOWBLYOFLJK-SNVBAGLBSA-N 2 2 200.326 0.831 20 0 BCADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H](O)C1 ZINC000042470388 409586602 /nfs/dbraw/zinc/58/66/02/409586602.db2.gz KGLBOWBLYOFLJK-SNVBAGLBSA-N 2 2 200.326 0.831 20 0 BCADLP COC[C@H](C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1)OC ZINC000662277729 409593441 /nfs/dbraw/zinc/59/34/41/409593441.db2.gz WHYCLOFTZUSKKM-WOPDTQHZSA-N 2 2 228.336 0.332 20 0 BCADLP COC[C@H](C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1)OC ZINC000662277729 409593449 /nfs/dbraw/zinc/59/34/49/409593449.db2.gz WHYCLOFTZUSKKM-WOPDTQHZSA-N 2 2 228.336 0.332 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1[C@@H]1CCCN(C)C1=O ZINC000662278592 409597635 /nfs/dbraw/zinc/59/76/35/409597635.db2.gz ZPIKKUIVHJKQQY-LPEHRKFASA-N 2 2 211.309 0.029 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1[C@@H]1CCCN(C)C1=O ZINC000662278592 409597644 /nfs/dbraw/zinc/59/76/44/409597644.db2.gz ZPIKKUIVHJKQQY-LPEHRKFASA-N 2 2 211.309 0.029 20 0 BCADLP C[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653093034 409692666 /nfs/dbraw/zinc/69/26/66/409692666.db2.gz UABXJDPSIRMXHB-UTUOFQBUSA-N 2 2 241.379 0.912 20 0 BCADLP CC(C)C1(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653095138 409704993 /nfs/dbraw/zinc/70/49/93/409704993.db2.gz AYRIGXFAWCEFPG-LLVKDONJSA-N 2 2 241.379 0.818 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCC1CC1 ZINC000653091683 409672013 /nfs/dbraw/zinc/67/20/13/409672013.db2.gz CTHVWWJBYHWZIC-SNVBAGLBSA-N 2 2 213.325 0.182 20 0 BCADLP CC1CC(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653091774 409673105 /nfs/dbraw/zinc/67/31/05/409673105.db2.gz ICWGGRFFVYEPDG-RTBKNWGFSA-N 2 2 213.325 0.180 20 0 BCADLP CC[C@@]1(C)CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653099560 409741386 /nfs/dbraw/zinc/74/13/86/409741386.db2.gz UHMWJMLCECJPCF-YPMHNXCESA-N 2 2 241.379 0.914 20 0 BCADLP CC[C@H]([NH2+]C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000662690276 409835811 /nfs/dbraw/zinc/83/58/11/409835811.db2.gz ZHOGBETYTCXQLO-QWRGUYRKSA-N 2 2 238.335 0.633 20 0 BCADLP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H]1C ZINC000653102522 409795494 /nfs/dbraw/zinc/79/54/94/409795494.db2.gz ZTYQQQKYSQVTJP-OUAUKWLOSA-N 2 2 227.352 0.522 20 0 BCADLP Cc1ccncc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653111145 409819810 /nfs/dbraw/zinc/81/98/10/409819810.db2.gz FVNIUBPBFQSZES-SNVBAGLBSA-N 2 2 236.319 0.608 20 0 BCADLP Cc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cn1 ZINC000653148870 409871945 /nfs/dbraw/zinc/87/19/45/409871945.db2.gz OCEITQUHNUADRW-NSHDSACASA-N 2 2 236.319 0.608 20 0 BCADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[NH3+])ccn12 ZINC000662766308 409889918 /nfs/dbraw/zinc/88/99/18/409889918.db2.gz IKHITHWMHKRRDM-MRVPVSSYSA-N 2 2 232.287 0.720 20 0 BCADLP C[C@H](CCC1CC1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653156649 409976732 /nfs/dbraw/zinc/97/67/32/409976732.db2.gz HJJGCXQYJPQXRP-PWSUYJOCSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@@H](NC(=O)[C@@H](C)C[NH3+])c1[nH+]ccn1C ZINC000662933187 409980157 /nfs/dbraw/zinc/98/01/57/409980157.db2.gz IDWHJZPKRYNHAP-JGVFFNPUSA-N 2 2 210.281 0.192 20 0 BCADLP C[C@@H](C[NH3+])C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662933189 409980572 /nfs/dbraw/zinc/98/05/72/409980572.db2.gz IDWHJZPKRYNHAP-YUMQZZPRSA-N 2 2 210.281 0.192 20 0 BCADLP C[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)c1[nH+]ccn1C ZINC000662933115 409981269 /nfs/dbraw/zinc/98/12/69/409981269.db2.gz GMMIMDMXTOFWKF-KXUCPTDWSA-N 2 2 236.319 0.595 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000389233166 409938110 /nfs/dbraw/zinc/93/81/10/409938110.db2.gz IZEJIYTVYTWLAA-NEPJUHHUSA-N 2 2 239.363 0.729 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000389233166 409938115 /nfs/dbraw/zinc/93/81/15/409938115.db2.gz IZEJIYTVYTWLAA-NEPJUHHUSA-N 2 2 239.363 0.729 20 0 BCADLP C[C@@H]1CCCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653158133 410004376 /nfs/dbraw/zinc/00/43/76/410004376.db2.gz VZLQWVKMJWFHIE-NEPJUHHUSA-N 2 2 241.379 0.914 20 0 BCADLP [NH3+][C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000655410567 410213382 /nfs/dbraw/zinc/21/33/82/410213382.db2.gz DLAAHLUBUXFOAP-WDEREUQCSA-N 2 2 248.330 0.395 20 0 BCADLP C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)(C)C ZINC000653257387 410240795 /nfs/dbraw/zinc/24/07/95/410240795.db2.gz WFGQGDGZMNDLFW-ZJUUUORDSA-N 2 2 229.368 0.816 20 0 BCADLP CCOC[C@@H](O)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000309100496 410243854 /nfs/dbraw/zinc/24/38/54/410243854.db2.gz IUUIPUVKGNEPEW-QWRGUYRKSA-N 2 2 216.325 0.068 20 0 BCADLP CCOC[C@@H](O)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000309100496 410243862 /nfs/dbraw/zinc/24/38/62/410243862.db2.gz IUUIPUVKGNEPEW-QWRGUYRKSA-N 2 2 216.325 0.068 20 0 BCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000336468362 410247504 /nfs/dbraw/zinc/24/75/04/410247504.db2.gz GFOSSECLYOOCPK-GFCCVEGCSA-N 2 2 239.363 0.635 20 0 BCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000336468362 410247509 /nfs/dbraw/zinc/24/75/09/410247509.db2.gz GFOSSECLYOOCPK-GFCCVEGCSA-N 2 2 239.363 0.635 20 0 BCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655442809 410266362 /nfs/dbraw/zinc/26/63/62/410266362.db2.gz ASOIJHKFPIEHHM-AAEUAGOBSA-N 2 2 248.330 0.389 20 0 BCADLP O=C(NCCn1cc[nH+]c1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655442810 410266998 /nfs/dbraw/zinc/26/69/98/410266998.db2.gz ASOIJHKFPIEHHM-DGCLKSJQSA-N 2 2 248.330 0.389 20 0 BCADLP C([N@@H+]1CC[C@]2(CC[NH2+]C2)C1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663495551 410274681 /nfs/dbraw/zinc/27/46/81/410274681.db2.gz YUGZNABHPMWYEJ-RWMBFGLXSA-N 3 2 221.348 0.281 20 0 BCADLP C([N@H+]1CC[C@]2(CC[NH2+]C2)C1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663495551 410274684 /nfs/dbraw/zinc/27/46/84/410274684.db2.gz YUGZNABHPMWYEJ-RWMBFGLXSA-N 3 2 221.348 0.281 20 0 BCADLP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663495998 410274769 /nfs/dbraw/zinc/27/47/69/410274769.db2.gz BWCWLLCXTWLBFG-AGIUHOORSA-N 3 2 235.375 0.860 20 0 BCADLP CN(C)C(=O)N(C)[C@H]1CC[N@H+](CC(C)(C)[NH3+])C1 ZINC000663499149 410276493 /nfs/dbraw/zinc/27/64/93/410276493.db2.gz BDEUWVOEKNIKJT-JTQLQIEISA-N 2 2 242.367 0.411 20 0 BCADLP CN(C)C(=O)N(C)[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000663499149 410276500 /nfs/dbraw/zinc/27/65/00/410276500.db2.gz BDEUWVOEKNIKJT-JTQLQIEISA-N 2 2 242.367 0.411 20 0 BCADLP C[C@@]1(C[NH2+]CC23CC(C2)C[NH2+]3)CC[NH2+]C1 ZINC000663501304 410277721 /nfs/dbraw/zinc/27/77/21/410277721.db2.gz UZDVWIDVDXBDDH-MOENNCHZSA-N 3 2 209.337 0.328 20 0 BCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[NH2+]1 ZINC000655416227 410220947 /nfs/dbraw/zinc/22/09/47/410220947.db2.gz ZZUGUNCKXLGXOE-GHMZBOCLSA-N 2 2 248.330 0.266 20 0 BCADLP [NH3+]C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000655417378 410225430 /nfs/dbraw/zinc/22/54/30/410225430.db2.gz IOZZMKZZOHBLOY-WDEREUQCSA-N 2 2 248.330 0.299 20 0 BCADLP Cn1cc(C[NH2+]Cc2ccc(C[NH3+])cc2F)nn1 ZINC000650718095 410356122 /nfs/dbraw/zinc/35/61/22/410356122.db2.gz XUPBROYNVXEYIH-UHFFFAOYSA-N 2 2 249.293 0.703 20 0 BCADLP c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)CN2 ZINC000650715044 410352010 /nfs/dbraw/zinc/35/20/10/410352010.db2.gz MMXCSXIYTHEEKB-VXGBXAGGSA-N 2 2 217.316 0.975 20 0 BCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000650743451 410377269 /nfs/dbraw/zinc/37/72/69/410377269.db2.gz TWXRBXBYNGJGBM-YYHQMBLXSA-N 2 2 240.347 0.663 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650745295 410380815 /nfs/dbraw/zinc/38/08/15/410380815.db2.gz DAJBEQIIALVSEO-GHMZBOCLSA-N 3 2 211.353 0.655 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650745295 410380821 /nfs/dbraw/zinc/38/08/21/410380821.db2.gz DAJBEQIIALVSEO-GHMZBOCLSA-N 3 2 211.353 0.655 20 0 BCADLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cn(C)nn1 ZINC000650760282 410406902 /nfs/dbraw/zinc/40/69/02/410406902.db2.gz ZQGRSNQXLORCQX-ONGXEEELSA-N 2 2 223.324 0.293 20 0 BCADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cn(C)nn1 ZINC000650760280 410408014 /nfs/dbraw/zinc/40/80/14/410408014.db2.gz ZQGRSNQXLORCQX-KOLCDFICSA-N 2 2 223.324 0.293 20 0 BCADLP CN(CC1C[NH+](C)C1)c1nc[nH+]c(N)c1Cl ZINC000664332125 410557043 /nfs/dbraw/zinc/55/70/43/410557043.db2.gz UGLAJZMBPABCQL-UHFFFAOYSA-N 2 2 241.726 0.710 20 0 BCADLP Nc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cn1 ZINC000647547550 410640230 /nfs/dbraw/zinc/64/02/30/410640230.db2.gz YXGFNZOZNWWNIN-SNVBAGLBSA-N 2 2 206.293 0.505 20 0 BCADLP Cc1cncc(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)n1 ZINC000665274000 410743307 /nfs/dbraw/zinc/74/33/07/410743307.db2.gz HGWXERUNWUKABW-MFKMUULPSA-N 2 2 234.347 0.915 20 0 BCADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccnn1C ZINC000665280154 410755354 /nfs/dbraw/zinc/75/53/54/410755354.db2.gz UQPUCOHVWYQAPO-BMQDGWLCSA-N 2 2 220.320 0.823 20 0 BCADLP CC(C)C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000037186713 167002550 /nfs/dbraw/zinc/00/25/50/167002550.db2.gz BCGXUGINZQVVBL-UHFFFAOYSA-N 2 2 241.379 0.785 20 0 BCADLP CC(C)N1C[C@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1=O ZINC000358150683 167034099 /nfs/dbraw/zinc/03/40/99/167034099.db2.gz ILZNLWLQSIZDSQ-UTUOFQBUSA-N 2 2 239.363 0.535 20 0 BCADLP CC(C)N1C[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1=O ZINC000358150683 167034103 /nfs/dbraw/zinc/03/41/03/167034103.db2.gz ILZNLWLQSIZDSQ-UTUOFQBUSA-N 2 2 239.363 0.535 20 0 BCADLP CC(C)OCC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000049259300 167236086 /nfs/dbraw/zinc/23/60/86/167236086.db2.gz ZABOJYWMRVAGFP-SNVBAGLBSA-N 2 2 202.298 0.071 20 0 BCADLP CC(C)OCC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000049259300 167236088 /nfs/dbraw/zinc/23/60/88/167236088.db2.gz ZABOJYWMRVAGFP-SNVBAGLBSA-N 2 2 202.298 0.071 20 0 BCADLP CC(C)[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000361228306 167379824 /nfs/dbraw/zinc/37/98/24/167379824.db2.gz IPLJHHAJJCOXJX-VXGBXAGGSA-N 2 2 241.379 0.960 20 0 BCADLP CC(C)[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000361228306 167379827 /nfs/dbraw/zinc/37/98/27/167379827.db2.gz IPLJHHAJJCOXJX-VXGBXAGGSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)C[N@@H+]1C1CC1 ZINC000651940052 411155478 /nfs/dbraw/zinc/15/54/78/411155478.db2.gz ZKZTXFYIMIXBMM-UKKRHICBSA-N 2 2 237.347 0.465 20 0 BCADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)C[N@H+]1C1CC1 ZINC000651940052 411155481 /nfs/dbraw/zinc/15/54/81/411155481.db2.gz ZKZTXFYIMIXBMM-UKKRHICBSA-N 2 2 237.347 0.465 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000657898779 411159066 /nfs/dbraw/zinc/15/90/66/411159066.db2.gz FSHQSTOUDYGEQB-NWDGAFQWSA-N 2 2 237.351 0.598 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000657898779 411159068 /nfs/dbraw/zinc/15/90/68/411159068.db2.gz FSHQSTOUDYGEQB-NWDGAFQWSA-N 2 2 237.351 0.598 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@](F)(CO)C1 ZINC000653664258 411161914 /nfs/dbraw/zinc/16/19/14/411161914.db2.gz OAJLYWYRIHSEJC-LBPRGKRZSA-N 2 2 241.310 0.759 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@](F)(CO)C1 ZINC000653664258 411161917 /nfs/dbraw/zinc/16/19/17/411161917.db2.gz OAJLYWYRIHSEJC-LBPRGKRZSA-N 2 2 241.310 0.759 20 0 BCADLP CC[N@@H+](CC(=O)N(C)C)C[C@@H]1CCC[NH2+]C1 ZINC000043493547 411118183 /nfs/dbraw/zinc/11/81/83/411118183.db2.gz KSBQJLHBXGJOPU-LLVKDONJSA-N 2 2 227.352 0.396 20 0 BCADLP CC[N@H+](CC(=O)N(C)C)C[C@@H]1CCC[NH2+]C1 ZINC000043493547 411118186 /nfs/dbraw/zinc/11/81/86/411118186.db2.gz KSBQJLHBXGJOPU-LLVKDONJSA-N 2 2 227.352 0.396 20 0 BCADLP CC[N@H+](CC[NH3+])Cc1cccc(C(N)=O)c1 ZINC000300758449 411126359 /nfs/dbraw/zinc/12/63/59/411126359.db2.gz HCAUQGLBBPPUBA-UHFFFAOYSA-N 2 2 221.304 0.566 20 0 BCADLP CC[N@@H+](CC[NH3+])Cc1cccc(C(N)=O)c1 ZINC000300758449 411126362 /nfs/dbraw/zinc/12/63/62/411126362.db2.gz HCAUQGLBBPPUBA-UHFFFAOYSA-N 2 2 221.304 0.566 20 0 BCADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[NH+](C)C ZINC000401004227 411168338 /nfs/dbraw/zinc/16/83/38/411168338.db2.gz ISQLZZRJUBHXGK-FDYHWXHSSA-N 3 2 225.380 0.914 20 0 BCADLP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[NH+](C)C ZINC000401004230 411168632 /nfs/dbraw/zinc/16/86/32/411168632.db2.gz ISQLZZRJUBHXGK-MROQNXINSA-N 3 2 225.380 0.914 20 0 BCADLP CC(C)(CO)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000643475080 411169716 /nfs/dbraw/zinc/16/97/16/411169716.db2.gz ZFWQIOVRKIRWOG-NWDGAFQWSA-N 2 2 242.363 0.362 20 0 BCADLP Cn1c[nH+]cc1CCCN1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000653694432 411185738 /nfs/dbraw/zinc/18/57/38/411185738.db2.gz DUHJSOWOBXTEPE-TZMCWYRMSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1c[nH+]cc1CCCN1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000653694432 411185741 /nfs/dbraw/zinc/18/57/41/411185741.db2.gz DUHJSOWOBXTEPE-TZMCWYRMSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H]2CN(C)C[C@H]21 ZINC000653694432 411185742 /nfs/dbraw/zinc/18/57/42/411185742.db2.gz DUHJSOWOBXTEPE-TZMCWYRMSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H]2CN(C)C[C@H]21 ZINC000653694432 411185744 /nfs/dbraw/zinc/18/57/44/411185744.db2.gz DUHJSOWOBXTEPE-TZMCWYRMSA-N 2 2 248.374 0.989 20 0 BCADLP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C1 ZINC000656192627 411198515 /nfs/dbraw/zinc/19/85/15/411198515.db2.gz MEUQVAPXLNXWGU-WOPDTQHZSA-N 3 2 211.353 0.988 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@@H](C)C[NH+](C)C ZINC000658016450 411198572 /nfs/dbraw/zinc/19/85/72/411198572.db2.gz YYKHXLPFTKBXHX-VHSXEESVSA-N 2 2 211.313 0.206 20 0 BCADLP COC1(CO)CC[NH+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000656193802 411199960 /nfs/dbraw/zinc/19/99/60/411199960.db2.gz SUAMCXIYCOJWLU-LBPRGKRZSA-N 2 2 244.379 0.833 20 0 BCADLP CCn1cc[nH+]c1CN[C@H](C[NH3+])C(F)(F)F ZINC000656196536 411201444 /nfs/dbraw/zinc/20/14/44/411201444.db2.gz WTPJPOXVYPUNMF-SSDOTTSWSA-N 2 2 236.241 0.882 20 0 BCADLP COCC1(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000656200105 411205155 /nfs/dbraw/zinc/20/51/55/411205155.db2.gz JQJUGCADKYHXDU-NEPJUHHUSA-N 2 2 242.363 0.770 20 0 BCADLP C[C@H](O)C[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000653903442 411218445 /nfs/dbraw/zinc/21/84/45/411218445.db2.gz HZGUFMZFQOBJIQ-GXFFZTMASA-N 2 2 242.363 0.287 20 0 BCADLP C[C@H](O)C[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000653903442 411218449 /nfs/dbraw/zinc/21/84/49/411218449.db2.gz HZGUFMZFQOBJIQ-GXFFZTMASA-N 2 2 242.363 0.287 20 0 BCADLP C[C@H](O)C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000653903442 411218453 /nfs/dbraw/zinc/21/84/53/411218453.db2.gz HZGUFMZFQOBJIQ-GXFFZTMASA-N 2 2 242.363 0.287 20 0 BCADLP C[C@H](O)C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000653903442 411218456 /nfs/dbraw/zinc/21/84/56/411218456.db2.gz HZGUFMZFQOBJIQ-GXFFZTMASA-N 2 2 242.363 0.287 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H](CO)C1CCC1 ZINC000658085513 411236324 /nfs/dbraw/zinc/23/63/24/411236324.db2.gz BDCXKSLYUGGCMZ-ADEWGFFLSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H](CO)C1CCC1 ZINC000658085513 411236330 /nfs/dbraw/zinc/23/63/30/411236330.db2.gz BDCXKSLYUGGCMZ-ADEWGFFLSA-N 2 2 212.337 0.687 20 0 BCADLP CO[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000310542884 411240527 /nfs/dbraw/zinc/24/05/27/411240527.db2.gz RLSYKQAPQMGYRI-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CO[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000310542884 411240530 /nfs/dbraw/zinc/24/05/30/411240530.db2.gz RLSYKQAPQMGYRI-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CO[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000310542884 411240536 /nfs/dbraw/zinc/24/05/36/411240536.db2.gz RLSYKQAPQMGYRI-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CO[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000310542884 411240538 /nfs/dbraw/zinc/24/05/38/411240538.db2.gz RLSYKQAPQMGYRI-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP COC[C@H](C[N@H+](C)CCCn1cc[nH+]c1)OC ZINC000660148779 411264428 /nfs/dbraw/zinc/26/44/28/411264428.db2.gz NFPDREXBPXVHIL-LBPRGKRZSA-N 2 2 241.335 0.866 20 0 BCADLP COC[C@H](C[N@@H+](C)CCCn1cc[nH+]c1)OC ZINC000660148779 411264433 /nfs/dbraw/zinc/26/44/33/411264433.db2.gz NFPDREXBPXVHIL-LBPRGKRZSA-N 2 2 241.335 0.866 20 0 BCADLP C[C@H](C[NH3+])n1cc(C[NH+]2CCSCC2)nn1 ZINC000656458198 411267561 /nfs/dbraw/zinc/26/75/61/411267561.db2.gz PBZGKLHMVILIGM-SECBINFHSA-N 2 2 241.364 0.347 20 0 BCADLP C[C@@H](C[NH3+])n1cc(C[NH+]2CCSCC2)nn1 ZINC000656458199 411268339 /nfs/dbraw/zinc/26/83/39/411268339.db2.gz PBZGKLHMVILIGM-VIFPVBQESA-N 2 2 241.364 0.347 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)CCC(C)(C)[NH3+] ZINC000070645758 411271280 /nfs/dbraw/zinc/27/12/80/411271280.db2.gz LJOAMCTVDKCKHD-UHFFFAOYSA-N 2 2 224.308 0.886 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000070645760 411271355 /nfs/dbraw/zinc/27/13/55/411271355.db2.gz NZELURUUJHFTQY-VIFPVBQESA-N 2 2 222.292 0.510 20 0 BCADLP C[N@H+](CCO)Cc1cn(-c2cc[nH+]cc2)nn1 ZINC000656440519 411259308 /nfs/dbraw/zinc/25/93/08/411259308.db2.gz JJUSTKLHZWTZDD-UHFFFAOYSA-N 2 2 233.275 0.086 20 0 BCADLP C[N@@H+](CCO)Cc1cn(-c2cc[nH+]cc2)nn1 ZINC000656440519 411259313 /nfs/dbraw/zinc/25/93/13/411259313.db2.gz JJUSTKLHZWTZDD-UHFFFAOYSA-N 2 2 233.275 0.086 20 0 BCADLP Cn1cc(C[NH2+]CC2([NH3+])CCCC2)nn1 ZINC000656788409 411367033 /nfs/dbraw/zinc/36/70/33/411367033.db2.gz OBOWVIMDMOBXGY-UHFFFAOYSA-N 2 2 209.297 0.176 20 0 BCADLP C[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000656702757 411338208 /nfs/dbraw/zinc/33/82/08/411338208.db2.gz SHUZYZONCATJPN-ZJUUUORDSA-N 2 2 200.326 0.830 20 0 BCADLP C[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000656702757 411338210 /nfs/dbraw/zinc/33/82/10/411338210.db2.gz SHUZYZONCATJPN-ZJUUUORDSA-N 2 2 200.326 0.830 20 0 BCADLP O[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000658347311 411347693 /nfs/dbraw/zinc/34/76/93/411347693.db2.gz AZXJWDYIGFSKAN-JHJVBQTASA-N 2 2 240.347 0.353 20 0 BCADLP Cn1nncc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662029 411375959 /nfs/dbraw/zinc/37/59/59/411375959.db2.gz GYOSAROGVBZRPS-CYBMUJFWSA-N 2 2 249.362 0.733 20 0 BCADLP Cn1nncc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662029 411375962 /nfs/dbraw/zinc/37/59/62/411375962.db2.gz GYOSAROGVBZRPS-CYBMUJFWSA-N 2 2 249.362 0.733 20 0 BCADLP Cn1nncc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660662029 411375965 /nfs/dbraw/zinc/37/59/65/411375965.db2.gz GYOSAROGVBZRPS-CYBMUJFWSA-N 2 2 249.362 0.733 20 0 BCADLP Cn1nncc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660662029 411375969 /nfs/dbraw/zinc/37/59/69/411375969.db2.gz GYOSAROGVBZRPS-CYBMUJFWSA-N 2 2 249.362 0.733 20 0 BCADLP C[C@H]1CCC[N@H+](Cc2ncnn2C)[C@@H]1CC[NH3+] ZINC000404372117 411392357 /nfs/dbraw/zinc/39/23/57/411392357.db2.gz JINLGAOMDGZCPR-WDEREUQCSA-N 2 2 237.351 0.764 20 0 BCADLP C[C@H]1CCC[N@@H+](Cc2ncnn2C)[C@@H]1CC[NH3+] ZINC000404372117 411392360 /nfs/dbraw/zinc/39/23/60/411392360.db2.gz JINLGAOMDGZCPR-WDEREUQCSA-N 2 2 237.351 0.764 20 0 BCADLP C[C@H](CC(=O)N1CCC[C@H]([NH3+])C1)n1cc[nH+]c1 ZINC000653043033 411401604 /nfs/dbraw/zinc/40/16/04/411401604.db2.gz VOONGMJUPIJSOT-MNOVXSKESA-N 2 2 236.319 0.784 20 0 BCADLP C[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653048329 411403976 /nfs/dbraw/zinc/40/39/76/411403976.db2.gz YFAGNWRAZTXCLN-UHFFFAOYSA-N 2 2 236.319 0.098 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC(C)(C)C ZINC000653056323 411406728 /nfs/dbraw/zinc/40/67/28/411406728.db2.gz AKWMXDGRQGORHZ-QMMMGPOBSA-N 2 2 201.314 0.180 20 0 BCADLP C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653056466 411407820 /nfs/dbraw/zinc/40/78/20/411407820.db2.gz HTJWPMXHOQDLMV-TUAOUCFPSA-N 2 2 241.379 0.770 20 0 BCADLP C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653056606 411407867 /nfs/dbraw/zinc/40/78/67/411407867.db2.gz PUPLRFHTSUFAMV-GHMZBOCLSA-N 2 2 227.352 0.524 20 0 BCADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccccc1 ZINC000653056601 411408356 /nfs/dbraw/zinc/40/83/56/411408356.db2.gz PPHKWBZVESKYBY-GFCCVEGCSA-N 2 2 235.331 0.928 20 0 BCADLP CCCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653056662 411408744 /nfs/dbraw/zinc/40/87/44/411408744.db2.gz SYLBRAQFOQTWPO-VIFPVBQESA-N 2 2 201.314 0.182 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC(C1CC1)C1CC1 ZINC000653063704 411409837 /nfs/dbraw/zinc/40/98/37/411409837.db2.gz SIYVMPYBUOXDDR-LLVKDONJSA-N 2 2 239.363 0.570 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC(C1CC1)C1CC1 ZINC000653063705 411410318 /nfs/dbraw/zinc/41/03/18/411410318.db2.gz SIYVMPYBUOXDDR-NSHDSACASA-N 2 2 239.363 0.570 20 0 BCADLP C[C@@H]1CCC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653067859 411411336 /nfs/dbraw/zinc/41/13/36/411411336.db2.gz OBQZWPGMUYJXRL-UTUOFQBUSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@@H]1CCC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653067860 411411414 /nfs/dbraw/zinc/41/14/14/411411414.db2.gz OBQZWPGMUYJXRL-WOPDTQHZSA-N 2 2 241.379 0.960 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1CCCC1 ZINC000653068579 411411591 /nfs/dbraw/zinc/41/15/91/411411591.db2.gz JHAYRIAWFLWRJX-NSHDSACASA-N 2 2 227.352 0.572 20 0 BCADLP C[C@@H](C1CC1)N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653070571 411412285 /nfs/dbraw/zinc/41/22/85/411412285.db2.gz AZHYQPHLYAUQRC-ONGXEEELSA-N 2 2 227.352 0.522 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCC1CCCC1 ZINC000653070146 411412332 /nfs/dbraw/zinc/41/23/32/411412332.db2.gz LPXAQTNRUARXAZ-GFCCVEGCSA-N 2 2 241.379 0.962 20 0 BCADLP CC(C)N(CC1CC1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653072890 411413241 /nfs/dbraw/zinc/41/32/41/411413241.db2.gz JENSJBMCHMLMGE-GFCCVEGCSA-N 2 2 241.379 0.912 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659449232 411416335 /nfs/dbraw/zinc/41/63/35/411416335.db2.gz APZJOVJMOPFREG-UHFFFAOYSA-N 2 2 249.318 0.053 20 0 BCADLP CCn1cc[nH+]c1CNC(=O)N[C@H](C)C[NH2+]C ZINC000659498922 411421779 /nfs/dbraw/zinc/42/17/79/411421779.db2.gz CDNOIHYYDOKIIZ-SECBINFHSA-N 2 2 239.323 0.310 20 0 BCADLP C[C@H](NC(=O)N[C@H]1CC[NH2+]C1)c1[nH+]ccn1C ZINC000659514868 411425979 /nfs/dbraw/zinc/42/59/79/411425979.db2.gz FTGMFSPMOVRGBX-IUCAKERBSA-N 2 2 237.307 0.142 20 0 BCADLP C[C@H](C[NH3+])CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659525727 411428143 /nfs/dbraw/zinc/42/81/43/411428143.db2.gz HBEHEFQPYIYTET-BDAKNGLRSA-N 2 2 239.323 0.375 20 0 BCADLP C[C@H](CC[NH3+])NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659531175 411429828 /nfs/dbraw/zinc/42/98/28/411429828.db2.gz YFMRAPMNHNODBV-BDAKNGLRSA-N 2 2 239.323 0.518 20 0 BCADLP Cc1cnn(CC[N@@H+]2CCO[C@H]([C@H](C)[NH3+])C2)c1 ZINC000306036295 411432050 /nfs/dbraw/zinc/43/20/50/411432050.db2.gz MHGSKXJGIDPVHQ-RYUDHWBXSA-N 2 2 238.335 0.240 20 0 BCADLP Cc1cnn(CC[N@H+]2CCO[C@H]([C@H](C)[NH3+])C2)c1 ZINC000306036295 411432053 /nfs/dbraw/zinc/43/20/53/411432053.db2.gz MHGSKXJGIDPVHQ-RYUDHWBXSA-N 2 2 238.335 0.240 20 0 BCADLP CCO[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H]1C[NH3+] ZINC000405532141 411433708 /nfs/dbraw/zinc/43/37/08/411433708.db2.gz NGEYVHGRYJRLIH-ZYHUDNBSSA-N 2 2 239.319 0.779 20 0 BCADLP CCO[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H]1C[NH3+] ZINC000405532141 411433712 /nfs/dbraw/zinc/43/37/12/411433712.db2.gz NGEYVHGRYJRLIH-ZYHUDNBSSA-N 2 2 239.319 0.779 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659547863 411434078 /nfs/dbraw/zinc/43/40/78/411434078.db2.gz FIWXFBLWNNVPMB-HLTSFMKQSA-N 2 2 239.323 0.516 20 0 BCADLP C[C@H]1C[N@H+](C)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000654763851 411441539 /nfs/dbraw/zinc/44/15/39/411441539.db2.gz CFGPQRJBQQEXQD-NSHDSACASA-N 2 2 239.363 0.491 20 0 BCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000654763851 411441541 /nfs/dbraw/zinc/44/15/41/411441541.db2.gz CFGPQRJBQQEXQD-NSHDSACASA-N 2 2 239.363 0.491 20 0 BCADLP COC[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657285884 411444735 /nfs/dbraw/zinc/44/47/35/411444735.db2.gz ONEYMOKVYDIBDK-SECBINFHSA-N 2 2 209.293 0.954 20 0 BCADLP C[NH2+]C[C@@H](C)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000659638934 411446035 /nfs/dbraw/zinc/44/60/35/411446035.db2.gz WWUHPASWFHIEFC-SECBINFHSA-N 2 2 239.323 0.169 20 0 BCADLP c1cn(CC[NH2+]Cc2cnc3n2CCC3)c[nH+]1 ZINC000657288377 411447862 /nfs/dbraw/zinc/44/78/62/411447862.db2.gz FLOQQYBDZHDJRW-UHFFFAOYSA-N 2 2 231.303 0.816 20 0 BCADLP Cc1c[nH]c(C[NH2+]C2CC[NH+](C)CC2)n1 ZINC000657294101 411451298 /nfs/dbraw/zinc/45/12/98/411451298.db2.gz DIVASOQEQQKHEO-UHFFFAOYSA-N 2 2 208.309 0.902 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC12CCOCC2 ZINC000653644238 411452576 /nfs/dbraw/zinc/45/25/76/411452576.db2.gz YCDYLVGFSCFICU-LBPRGKRZSA-N 2 2 242.363 0.554 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC12CCOCC2 ZINC000653644238 411452578 /nfs/dbraw/zinc/45/25/78/411452578.db2.gz YCDYLVGFSCFICU-LBPRGKRZSA-N 2 2 242.363 0.554 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC12CCOCC2 ZINC000653644238 411452580 /nfs/dbraw/zinc/45/25/80/411452580.db2.gz YCDYLVGFSCFICU-LBPRGKRZSA-N 2 2 242.363 0.554 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC12CCOCC2 ZINC000653644238 411452582 /nfs/dbraw/zinc/45/25/82/411452582.db2.gz YCDYLVGFSCFICU-LBPRGKRZSA-N 2 2 242.363 0.554 20 0 BCADLP CCNC(=O)[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657292650 411452769 /nfs/dbraw/zinc/45/27/69/411452769.db2.gz PCASJRFSRQWJBD-SECBINFHSA-N 2 2 236.319 0.444 20 0 BCADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407289037 411476919 /nfs/dbraw/zinc/47/69/19/411476919.db2.gz HOYZOKFQSLNOIH-MNOVXSKESA-N 2 2 248.330 0.599 20 0 BCADLP Cc1c[nH]c(CNCC2([NH+](C)C)CC2)[nH+]1 ZINC000657493537 411533285 /nfs/dbraw/zinc/53/32/85/411533285.db2.gz DNRQJXKDNSQERS-UHFFFAOYSA-N 2 2 208.309 0.902 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407368891 411482170 /nfs/dbraw/zinc/48/21/70/411482170.db2.gz LBSZWJHZTTWLQX-GHMZBOCLSA-N 2 2 248.330 0.865 20 0 BCADLP COC[C@@](C)(CO)[NH2+]Cc1c[nH+]c(C)n1C ZINC000657389059 411491654 /nfs/dbraw/zinc/49/16/54/411491654.db2.gz JIWXDVQXOQUEGV-LLVKDONJSA-N 2 2 227.308 0.216 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCCNC2=O)n1C ZINC000657489955 411533970 /nfs/dbraw/zinc/53/39/70/411533970.db2.gz CPPSHYYEKDORCZ-JTQLQIEISA-N 2 2 236.319 0.344 20 0 BCADLP C[C@@H]([NH3+])CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659537498 411503257 /nfs/dbraw/zinc/50/32/57/411503257.db2.gz LLSPKJJZKUQQJN-SFYZADRCSA-N 2 2 225.296 0.128 20 0 BCADLP C[C@@]1(O)C[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657493326 411534496 /nfs/dbraw/zinc/53/44/96/411534496.db2.gz BKJNTQWZSCXAGX-WVSHTKLVSA-N 2 2 221.304 0.832 20 0 BCADLP CC[C@H]1C[C@H]([NH2+]CC[N@H+](CC)CCO)CO1 ZINC000657438411 411510260 /nfs/dbraw/zinc/51/02/60/411510260.db2.gz QHLZIZAEVUZOGL-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP CC[C@H]1C[C@H]([NH2+]CC[N@@H+](CC)CCO)CO1 ZINC000657438411 411510262 /nfs/dbraw/zinc/51/02/62/411510262.db2.gz QHLZIZAEVUZOGL-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(C)COC2)C1 ZINC000309044348 170029704 /nfs/dbraw/zinc/02/97/04/170029704.db2.gz NJOOPGKIUZFYAB-MNOVXSKESA-N 2 2 212.337 0.953 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(C)COC2)C1 ZINC000309044348 170029706 /nfs/dbraw/zinc/02/97/06/170029706.db2.gz NJOOPGKIUZFYAB-MNOVXSKESA-N 2 2 212.337 0.953 20 0 BCADLP CO[C@](C)(CO)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000657505563 411539957 /nfs/dbraw/zinc/53/99/57/411539957.db2.gz RGLAOGSDNPMZKS-NSHDSACASA-N 2 2 227.308 0.216 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCn2cccn2)C1 ZINC000309494842 170030856 /nfs/dbraw/zinc/03/08/56/170030856.db2.gz YDJQAZRMAYMCHU-NEPJUHHUSA-N 2 2 222.336 0.813 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCn2cccn2)C1 ZINC000309494842 170030858 /nfs/dbraw/zinc/03/08/58/170030858.db2.gz YDJQAZRMAYMCHU-NEPJUHHUSA-N 2 2 222.336 0.813 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]C[C@H](COC)OC)[C@@H](C)C1 ZINC000336671965 170034798 /nfs/dbraw/zinc/03/47/98/170034798.db2.gz ABTVKSRNWSGJSS-TUAOUCFPSA-N 2 2 230.352 0.578 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H](COC)OC)[C@@H](C)C1 ZINC000336671965 170034800 /nfs/dbraw/zinc/03/48/00/170034800.db2.gz ABTVKSRNWSGJSS-TUAOUCFPSA-N 2 2 230.352 0.578 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CCNC(=O)C2CC2)[C@@H](C)C1 ZINC000358236816 170034839 /nfs/dbraw/zinc/03/48/39/170034839.db2.gz ULZAJJVMFKKCMD-JQWIXIFHSA-N 2 2 239.363 0.442 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CCc2nc(C)n[nH]2)[C@@H](C)C1 ZINC000355669808 170035290 /nfs/dbraw/zinc/03/52/90/170035290.db2.gz HTJWQPBVFFLUMK-ONGXEEELSA-N 2 2 237.351 0.585 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H](C)OC)[C@@H](C)C1 ZINC000308504188 170035712 /nfs/dbraw/zinc/03/57/12/170035712.db2.gz IAJGLAJPALTLGD-AXFHLTTASA-N 2 2 200.326 0.951 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H](C)OC)[C@@H](C)C1 ZINC000308504188 170035713 /nfs/dbraw/zinc/03/57/13/170035713.db2.gz IAJGLAJPALTLGD-AXFHLTTASA-N 2 2 200.326 0.951 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CCCNC(C)=O)[C@@H](C)C1 ZINC000336775880 170035731 /nfs/dbraw/zinc/03/57/31/170035731.db2.gz CZSBDIWDBRHRPZ-JQWIXIFHSA-N 2 2 227.352 0.442 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CCc2cn[nH]c2)[C@@H](C)C1 ZINC000309491388 170036204 /nfs/dbraw/zinc/03/62/04/170036204.db2.gz XGQHLLBECJIRRX-JQWIXIFHSA-N 2 2 222.336 0.882 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CCC(=O)NC2)[C@@H](C)C1 ZINC000309929024 170036724 /nfs/dbraw/zinc/03/67/24/170036724.db2.gz WYNKKARYLCQAFU-DCAQKATOSA-N 2 2 225.336 0.195 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCC(=O)NC2)[C@@H](C)C1 ZINC000309929024 170036725 /nfs/dbraw/zinc/03/67/25/170036725.db2.gz WYNKKARYLCQAFU-DCAQKATOSA-N 2 2 225.336 0.195 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]C[C@H]2CCOC2)[C@@H](C)C1 ZINC000309049905 170037489 /nfs/dbraw/zinc/03/74/89/170037489.db2.gz QKRSPYFJUXUEAU-TUAOUCFPSA-N 2 2 212.337 0.953 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H]2CCOC2)[C@@H](C)C1 ZINC000309049905 170037491 /nfs/dbraw/zinc/03/74/91/170037491.db2.gz QKRSPYFJUXUEAU-TUAOUCFPSA-N 2 2 212.337 0.953 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCC(=O)N(C)C)C1 ZINC000358220677 170037526 /nfs/dbraw/zinc/03/75/26/170037526.db2.gz KOONHHOHDRFZAN-NWDGAFQWSA-N 2 2 241.379 0.785 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCC(=O)N(C)C)C1 ZINC000358220677 170037527 /nfs/dbraw/zinc/03/75/27/170037527.db2.gz KOONHHOHDRFZAN-NWDGAFQWSA-N 2 2 241.379 0.785 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](O)[C@@H]2CCOC2)C1 ZINC000358052098 170038015 /nfs/dbraw/zinc/03/80/15/170038015.db2.gz XMOLTTJENBEHEY-LOWDOPEQSA-N 2 2 242.363 0.314 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](O)[C@@H]2CCOC2)C1 ZINC000358052098 170038016 /nfs/dbraw/zinc/03/80/16/170038016.db2.gz XMOLTTJENBEHEY-LOWDOPEQSA-N 2 2 242.363 0.314 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCn2cncn2)C1 ZINC000336671750 170038068 /nfs/dbraw/zinc/03/80/68/170038068.db2.gz AAJDZKUYOLWVCY-WDEREUQCSA-N 2 2 223.324 0.208 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCn2cncn2)C1 ZINC000336671750 170038069 /nfs/dbraw/zinc/03/80/69/170038069.db2.gz AAJDZKUYOLWVCY-WDEREUQCSA-N 2 2 223.324 0.208 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](O)[C@H]2CCOC2)C1 ZINC000358052105 170038428 /nfs/dbraw/zinc/03/84/28/170038428.db2.gz XMOLTTJENBEHEY-WUHRBBMRSA-N 2 2 242.363 0.314 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](O)[C@H]2CCOC2)C1 ZINC000358052105 170038430 /nfs/dbraw/zinc/03/84/30/170038430.db2.gz XMOLTTJENBEHEY-WUHRBBMRSA-N 2 2 242.363 0.314 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@]2(O)CCOC2)C1 ZINC000336675389 170038519 /nfs/dbraw/zinc/03/85/19/170038519.db2.gz AZYDQSWTEFPSLP-TUAOUCFPSA-N 2 2 228.336 0.068 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@]2(O)CCOC2)C1 ZINC000336675389 170038521 /nfs/dbraw/zinc/03/85/21/170038521.db2.gz AZYDQSWTEFPSLP-TUAOUCFPSA-N 2 2 228.336 0.068 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](CO)C2CC2)C1 ZINC000309980760 170038768 /nfs/dbraw/zinc/03/87/68/170038768.db2.gz WBIIGFDAYHZGTG-CYZMBNFOSA-N 2 2 226.364 0.935 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](CO)C2CC2)C1 ZINC000309980760 170038769 /nfs/dbraw/zinc/03/87/69/170038769.db2.gz WBIIGFDAYHZGTG-CYZMBNFOSA-N 2 2 226.364 0.935 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCNC(C)=O)C1 ZINC000336775879 170038895 /nfs/dbraw/zinc/03/88/95/170038895.db2.gz CZSBDIWDBRHRPZ-CMPLNLGQSA-N 2 2 227.352 0.442 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCNC(C)=O)C1 ZINC000336775879 170038896 /nfs/dbraw/zinc/03/88/96/170038896.db2.gz CZSBDIWDBRHRPZ-CMPLNLGQSA-N 2 2 227.352 0.442 20 0 BCADLP CCNC(=O)C[N@H+](CC)CCn1cc[nH+]c1C ZINC000270551548 170057051 /nfs/dbraw/zinc/05/70/51/170057051.db2.gz BKAFLSQAIAGZBD-UHFFFAOYSA-N 2 2 238.335 0.650 20 0 BCADLP CCNC(=O)C[N@@H+](CC)CCn1cc[nH+]c1C ZINC000270551548 170057054 /nfs/dbraw/zinc/05/70/54/170057054.db2.gz BKAFLSQAIAGZBD-UHFFFAOYSA-N 2 2 238.335 0.650 20 0 BCADLP CCNC(=O)C[N@H+](CC)C[C@@H]1CCC[NH2+]C1 ZINC000043493567 170057243 /nfs/dbraw/zinc/05/72/43/170057243.db2.gz MJMXSDLPIDEAQL-LLVKDONJSA-N 2 2 227.352 0.444 20 0 BCADLP CCNC(=O)C[N@@H+](CC)C[C@@H]1CCC[NH2+]C1 ZINC000043493567 170057244 /nfs/dbraw/zinc/05/72/44/170057244.db2.gz MJMXSDLPIDEAQL-LLVKDONJSA-N 2 2 227.352 0.444 20 0 BCADLP CCNC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000176912482 170058782 /nfs/dbraw/zinc/05/87/82/170058782.db2.gz HWBYPDTZPIMVAC-UHFFFAOYSA-N 2 2 236.319 0.656 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849722 411537778 /nfs/dbraw/zinc/53/77/78/411537778.db2.gz PPSVUWXJXLCTRI-UTUOFQBUSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849722 411537779 /nfs/dbraw/zinc/53/77/79/411537779.db2.gz PPSVUWXJXLCTRI-UTUOFQBUSA-N 2 2 239.363 0.857 20 0 BCADLP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000358934756 170158131 /nfs/dbraw/zinc/15/81/31/170158131.db2.gz LBLSRKPJYMGPSD-SFYZADRCSA-N 2 2 235.278 0.098 20 0 BCADLP CCOC(=O)C[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000366740730 170225582 /nfs/dbraw/zinc/22/55/82/170225582.db2.gz AEVPGCQRJSMYRX-SNVBAGLBSA-N 2 2 237.303 0.598 20 0 BCADLP CCOC(=O)C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000365806688 170226153 /nfs/dbraw/zinc/22/61/53/170226153.db2.gz QNIQJBPUVCKEBE-SECBINFHSA-N 2 2 223.276 0.351 20 0 BCADLP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000227082458 170271388 /nfs/dbraw/zinc/27/13/88/170271388.db2.gz HMGIPCTYFRHDPK-UWVGGRQHSA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)[C@H](CC)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000227082458 170271390 /nfs/dbraw/zinc/27/13/90/170271390.db2.gz HMGIPCTYFRHDPK-UWVGGRQHSA-N 2 2 214.309 0.609 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000657619659 411565066 /nfs/dbraw/zinc/56/50/66/411565066.db2.gz YIIYMUMRVKRHEU-BBBLOLIVSA-N 2 2 234.290 0.950 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000657619659 411565068 /nfs/dbraw/zinc/56/50/68/411565068.db2.gz YIIYMUMRVKRHEU-BBBLOLIVSA-N 2 2 234.290 0.950 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000657619667 411565173 /nfs/dbraw/zinc/56/51/73/411565173.db2.gz YIIYMUMRVKRHEU-UTLUCORTSA-N 2 2 234.290 0.950 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000657619667 411565175 /nfs/dbraw/zinc/56/51/75/411565175.db2.gz YIIYMUMRVKRHEU-UTLUCORTSA-N 2 2 234.290 0.950 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000657707947 411585414 /nfs/dbraw/zinc/58/54/14/411585414.db2.gz WKAMVIRTCWVQQS-RHYQMDGZSA-N 2 2 224.348 0.830 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000657707947 411585415 /nfs/dbraw/zinc/58/54/15/411585415.db2.gz WKAMVIRTCWVQQS-RHYQMDGZSA-N 2 2 224.348 0.830 20 0 BCADLP O=C1CC[C@@H](C[NH2+]Cc2cccc3[nH+]ccn32)N1 ZINC000657712517 411585850 /nfs/dbraw/zinc/58/58/50/411585850.db2.gz UJQDQXJDBILITN-JTQLQIEISA-N 2 2 244.298 0.703 20 0 BCADLP C[N@H+](CCc1c[nH]nn1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660542951 411597774 /nfs/dbraw/zinc/59/77/74/411597774.db2.gz YKNGTEZIEKREPL-FUNVUKJBSA-N 2 2 249.362 0.904 20 0 BCADLP C[N@@H+](CCc1c[nH]nn1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660542951 411597775 /nfs/dbraw/zinc/59/77/75/411597775.db2.gz YKNGTEZIEKREPL-FUNVUKJBSA-N 2 2 249.362 0.904 20 0 BCADLP C[NH+](CCc1c[nH]nn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000660542951 411597776 /nfs/dbraw/zinc/59/77/76/411597776.db2.gz YKNGTEZIEKREPL-FUNVUKJBSA-N 2 2 249.362 0.904 20 0 BCADLP C[NH+](CCc1c[nH]nn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000660542951 411597777 /nfs/dbraw/zinc/59/77/77/411597777.db2.gz YKNGTEZIEKREPL-FUNVUKJBSA-N 2 2 249.362 0.904 20 0 BCADLP C[N@H+](CCc1cn[nH]n1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660542951 411597778 /nfs/dbraw/zinc/59/77/78/411597778.db2.gz YKNGTEZIEKREPL-FUNVUKJBSA-N 2 2 249.362 0.904 20 0 BCADLP C[N@@H+](CCc1cn[nH]n1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660542951 411597779 /nfs/dbraw/zinc/59/77/79/411597779.db2.gz YKNGTEZIEKREPL-FUNVUKJBSA-N 2 2 249.362 0.904 20 0 BCADLP C[NH+](CCc1cn[nH]n1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000660542951 411597780 /nfs/dbraw/zinc/59/77/80/411597780.db2.gz YKNGTEZIEKREPL-FUNVUKJBSA-N 2 2 249.362 0.904 20 0 BCADLP C[NH+](CCc1cn[nH]n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000660542951 411597781 /nfs/dbraw/zinc/59/77/81/411597781.db2.gz YKNGTEZIEKREPL-FUNVUKJBSA-N 2 2 249.362 0.904 20 0 BCADLP CC[N@H+](C)C[C@H](O)CN1CCn2c[nH+]cc2C1 ZINC000660584216 411603595 /nfs/dbraw/zinc/60/35/95/411603595.db2.gz QTXRUKAXUDMHQD-LBPRGKRZSA-N 2 2 238.335 0.011 20 0 BCADLP CC[N@@H+](C)C[C@H](O)CN1CCn2c[nH+]cc2C1 ZINC000660584216 411603597 /nfs/dbraw/zinc/60/35/97/411603597.db2.gz QTXRUKAXUDMHQD-LBPRGKRZSA-N 2 2 238.335 0.011 20 0 BCADLP Cn1c[nH+]c(CN2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000660611419 411607002 /nfs/dbraw/zinc/60/70/02/411607002.db2.gz QSROAKVISDWEME-PWSUYJOCSA-N 2 2 220.320 0.556 20 0 BCADLP Cn1c[nH+]c(CN2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC000660611419 411607003 /nfs/dbraw/zinc/60/70/03/411607003.db2.gz QSROAKVISDWEME-PWSUYJOCSA-N 2 2 220.320 0.556 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000657843768 411610265 /nfs/dbraw/zinc/61/02/65/411610265.db2.gz HHPAJSLUUYNDNM-WDEREUQCSA-N 2 2 223.324 0.350 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000657843768 411610267 /nfs/dbraw/zinc/61/02/67/411610267.db2.gz HHPAJSLUUYNDNM-WDEREUQCSA-N 2 2 223.324 0.350 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+]CCCCn1cc[nH+]c1 ZINC000657846525 411611207 /nfs/dbraw/zinc/61/12/07/411611207.db2.gz ZDJSRWJKZGDHRC-GFCCVEGCSA-N 2 2 248.334 0.933 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660657730 411614526 /nfs/dbraw/zinc/61/45/26/411614526.db2.gz ZUDVJPVNWMYGHF-JQWIXIFHSA-N 2 2 225.336 0.278 20 0 BCADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660657730 411614527 /nfs/dbraw/zinc/61/45/27/411614527.db2.gz ZUDVJPVNWMYGHF-JQWIXIFHSA-N 2 2 225.336 0.278 20 0 BCADLP C[C@@H](C(N)=O)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660657730 411614528 /nfs/dbraw/zinc/61/45/28/411614528.db2.gz ZUDVJPVNWMYGHF-JQWIXIFHSA-N 2 2 225.336 0.278 20 0 BCADLP C[C@@H](C(N)=O)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660657730 411614529 /nfs/dbraw/zinc/61/45/29/411614529.db2.gz ZUDVJPVNWMYGHF-JQWIXIFHSA-N 2 2 225.336 0.278 20 0 BCADLP Cc1cc(NC[C@H](C)C[NH+](C)C)nc[nH+]1 ZINC000336716662 411650387 /nfs/dbraw/zinc/65/03/87/411650387.db2.gz XKZBAYWYLYXKAE-VIFPVBQESA-N 2 2 208.309 1.395 20 0 BCADLP Cc1cc(NC[C@@H]2COCC[N@H+]2C)nc(C)[nH+]1 ZINC000624618639 411650612 /nfs/dbraw/zinc/65/06/12/411650612.db2.gz HQVQRGSRVDHJIP-LLVKDONJSA-N 2 2 236.319 0.836 20 0 BCADLP Cc1cc(NC[C@@H]2COCC[N@@H+]2C)nc(C)[nH+]1 ZINC000624618639 411650618 /nfs/dbraw/zinc/65/06/18/411650618.db2.gz HQVQRGSRVDHJIP-LLVKDONJSA-N 2 2 236.319 0.836 20 0 BCADLP C[N@H+](C[C@@]12C[C@@H]1C[NH2+]C2)C1CC[NH2+]CC1 ZINC000663495138 411674462 /nfs/dbraw/zinc/67/44/62/411674462.db2.gz NOVKJTYFJAOXIX-PWSUYJOCSA-N 3 2 209.337 0.280 20 0 BCADLP C[N@@H+](C[C@@]12C[C@@H]1C[NH2+]C2)C1CC[NH2+]CC1 ZINC000663495138 411674467 /nfs/dbraw/zinc/67/44/67/411674467.db2.gz NOVKJTYFJAOXIX-PWSUYJOCSA-N 3 2 209.337 0.280 20 0 BCADLP C[C@H](CC[NH3+])[NH2+]Cc1nc2c(s1)C[NH2+]CC2 ZINC000663495656 411674854 /nfs/dbraw/zinc/67/48/54/411674854.db2.gz ADSIGNZBLFIITK-MRVPVSSYSA-N 3 2 240.376 0.616 20 0 BCADLP [NH3+]C1(C[NH2+]C[C@]23C[C@H]2C[NH2+]C3)CCCCC1 ZINC000663494551 411675415 /nfs/dbraw/zinc/67/54/15/411675415.db2.gz PGUVKOHSEYMLQS-NWDGAFQWSA-N 3 2 223.364 0.847 20 0 BCADLP C[NH2+]C1CC[NH+](C[C@@]23C[C@@H]2C[NH2+]C3)CC1 ZINC000663494564 411675429 /nfs/dbraw/zinc/67/54/29/411675429.db2.gz JJKUPPDRPPQXPT-PWSUYJOCSA-N 3 2 209.337 0.280 20 0 BCADLP CCS(=O)(=O)C[C@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663499083 411681260 /nfs/dbraw/zinc/68/12/60/411681260.db2.gz WJKXZQNZMUPFRM-WHXUTIOJSA-N 2 2 246.376 0.151 20 0 BCADLP C([NH2+][C@H]1CCCC[NH2+]C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663500206 411683278 /nfs/dbraw/zinc/68/32/78/411683278.db2.gz YXIQRZKLCKXWDH-WOPDTQHZSA-N 3 2 209.337 0.328 20 0 BCADLP [NH3+][C@@H]1CCC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000663500612 411683889 /nfs/dbraw/zinc/68/38/89/411683889.db2.gz LUJYGUAXQFXVIQ-UPOSSJBDSA-N 3 2 209.337 0.598 20 0 BCADLP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000663502211 411685946 /nfs/dbraw/zinc/68/59/46/411685946.db2.gz FLXNYSWFMYLICF-QJPTWQEYSA-N 3 2 213.369 0.947 20 0 BCADLP Cn1cc[nH+]c1CNCC12CC(C1)C[NH2+]2 ZINC000663501588 411686034 /nfs/dbraw/zinc/68/60/34/411686034.db2.gz JZJLUAIGOCFFEM-UHFFFAOYSA-N 2 2 206.293 0.262 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+]Cc1nc(C)ccc1O ZINC000663507932 411689515 /nfs/dbraw/zinc/68/95/15/411689515.db2.gz CZVLUKGISAXNFS-VIFPVBQESA-N 2 2 209.293 0.793 20 0 BCADLP C(C[N@@H+]1CCOC2(C[NH2+]C2)C1)[C@H]1CCOC1 ZINC000663510583 411692627 /nfs/dbraw/zinc/69/26/27/411692627.db2.gz PZNWHIKDDNRNOK-NSHDSACASA-N 2 2 226.320 0.087 20 0 BCADLP C(C[N@H+]1CCOC2(C[NH2+]C2)C1)[C@H]1CCOC1 ZINC000663510583 411692632 /nfs/dbraw/zinc/69/26/32/411692632.db2.gz PZNWHIKDDNRNOK-NSHDSACASA-N 2 2 226.320 0.087 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+]Cc1cnc(N)s1 ZINC000663513424 411695697 /nfs/dbraw/zinc/69/56/97/411695697.db2.gz JVYMNILJBQRPEZ-LURJTMIESA-N 2 2 200.311 0.423 20 0 BCADLP Cc1nc(N(C)C)nc(NCCC[NH+](C)C)[nH+]1 ZINC000489528240 411767072 /nfs/dbraw/zinc/76/70/72/411767072.db2.gz YURWSJKGJSQDOU-UHFFFAOYSA-N 2 2 238.339 0.610 20 0 BCADLP Cc1nc(NCCC[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000489528240 411767077 /nfs/dbraw/zinc/76/70/77/411767077.db2.gz YURWSJKGJSQDOU-UHFFFAOYSA-N 2 2 238.339 0.610 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](CO)C1CCC1 ZINC000661157010 411722343 /nfs/dbraw/zinc/72/23/43/411722343.db2.gz ZTMZEUMVALJJQR-VXGBXAGGSA-N 2 2 212.337 0.831 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H](CO)C1CCC1 ZINC000661157010 411722346 /nfs/dbraw/zinc/72/23/46/411722346.db2.gz ZTMZEUMVALJJQR-VXGBXAGGSA-N 2 2 212.337 0.831 20 0 BCADLP Cn1c[nH+]cc1CCOCc1[nH]cc[nH+]1 ZINC000664035514 411821965 /nfs/dbraw/zinc/82/19/65/411821965.db2.gz YKVPDEYRCHPOEA-UHFFFAOYSA-N 2 2 206.249 0.903 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NC(C)(C)C ZINC000133595007 411852646 /nfs/dbraw/zinc/85/26/46/411852646.db2.gz HYRQBKVMVUQCPI-NXEZZACHSA-N 2 2 227.352 0.713 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NC(C)(C)C ZINC000133595007 411852648 /nfs/dbraw/zinc/85/26/48/411852648.db2.gz HYRQBKVMVUQCPI-NXEZZACHSA-N 2 2 227.352 0.713 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000661825831 411892081 /nfs/dbraw/zinc/89/20/81/411892081.db2.gz GKJMJCOHALQZNY-GRYCIOLGSA-N 2 2 224.348 0.974 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000661825831 411892084 /nfs/dbraw/zinc/89/20/84/411892084.db2.gz GKJMJCOHALQZNY-GRYCIOLGSA-N 2 2 224.348 0.974 20 0 BCADLP O[C@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)C12CCC2 ZINC000661829481 411894251 /nfs/dbraw/zinc/89/42/51/411894251.db2.gz CAJUDHPKCGOLRG-MNOVXSKESA-N 2 2 221.304 0.776 20 0 BCADLP C[NH2+][C@@H]1CCN(Cc2cc[nH+]c(N)c2)C1 ZINC000516867826 411905028 /nfs/dbraw/zinc/90/50/28/411905028.db2.gz UKZAEGUZINKFGI-SNVBAGLBSA-N 2 2 206.293 0.458 20 0 BCADLP C[C@@H]1CN(Cc2cc[nH+]c(N)c2)C[C@@H](C)[NH2+]1 ZINC000420287983 411910455 /nfs/dbraw/zinc/91/04/55/411910455.db2.gz GWLSLAONQKEWFA-NXEZZACHSA-N 2 2 220.320 0.846 20 0 BCADLP C[C@H]([NH3+])[C@H](C)Nc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000420260825 411919808 /nfs/dbraw/zinc/91/98/08/411919808.db2.gz JSKROVOHDCVBKA-YUMQZZPRSA-N 2 2 247.306 0.392 20 0 BCADLP CN(CC1C[NH+](C)C1)c1nc[nH+]c2c1OCCN2 ZINC000664331570 411923307 /nfs/dbraw/zinc/92/33/07/411923307.db2.gz YJHLQPNKPNAUSN-UHFFFAOYSA-N 2 2 249.318 0.279 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(N)nc1 ZINC000647547071 411926561 /nfs/dbraw/zinc/92/65/61/411926561.db2.gz MLDQXNZXLFQBAI-ONGXEEELSA-N 2 2 220.320 0.751 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cnc(N)s1 ZINC000414932958 411928348 /nfs/dbraw/zinc/92/83/48/411928348.db2.gz RNLPJOXPPIJMLQ-CBAPKCEASA-N 2 2 226.349 0.813 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(N)nc1 ZINC000647547068 411930535 /nfs/dbraw/zinc/93/05/35/411930535.db2.gz MLDQXNZXLFQBAI-GXSJLCMTSA-N 2 2 220.320 0.751 20 0 BCADLP C[C@]1(F)C[NH2+]CCN(Cc2cc[nH+]c(N)c2)C1 ZINC000420323102 411935244 /nfs/dbraw/zinc/93/52/44/411935244.db2.gz ATRNIRMCMJDDOY-LBPRGKRZSA-N 2 2 238.310 0.797 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)Nc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000420260819 411884646 /nfs/dbraw/zinc/88/46/46/411884646.db2.gz JSKROVOHDCVBKA-HTQZYQBOSA-N 2 2 247.306 0.392 20 0 BCADLP Cc1nc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000631157949 411969565 /nfs/dbraw/zinc/96/95/65/411969565.db2.gz VFEJTZUZCROFFU-APPZFPTMSA-N 2 2 248.334 0.799 20 0 BCADLP Cc1nc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000631157949 411969570 /nfs/dbraw/zinc/96/95/70/411969570.db2.gz VFEJTZUZCROFFU-APPZFPTMSA-N 2 2 248.334 0.799 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC2(COC2)C1)C1CC1 ZINC000662072148 411971655 /nfs/dbraw/zinc/97/16/55/411971655.db2.gz CFPVSVMRBUCKCU-GFCCVEGCSA-N 2 2 240.347 0.164 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC2(COC2)C1)C1CC1 ZINC000662072148 411971659 /nfs/dbraw/zinc/97/16/59/411971659.db2.gz CFPVSVMRBUCKCU-GFCCVEGCSA-N 2 2 240.347 0.164 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC2(COC2)C1)C1CC1 ZINC000662072148 411971661 /nfs/dbraw/zinc/97/16/61/411971661.db2.gz CFPVSVMRBUCKCU-GFCCVEGCSA-N 2 2 240.347 0.164 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC2(COC2)C1)C1CC1 ZINC000662072148 411971665 /nfs/dbraw/zinc/97/16/65/411971665.db2.gz CFPVSVMRBUCKCU-GFCCVEGCSA-N 2 2 240.347 0.164 20 0 BCADLP c1cn(CCC[N@@H+]2CCC3(COC3)C2)c[nH+]1 ZINC000662074225 411977574 /nfs/dbraw/zinc/97/75/74/411977574.db2.gz SXXSHIYIECGABO-UHFFFAOYSA-N 2 2 221.304 0.996 20 0 BCADLP c1cn(CCC[N@H+]2CCC3(COC3)C2)c[nH+]1 ZINC000662074225 411977577 /nfs/dbraw/zinc/97/75/77/411977577.db2.gz SXXSHIYIECGABO-UHFFFAOYSA-N 2 2 221.304 0.996 20 0 BCADLP c1cn(CC[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c[nH+]1 ZINC000662030918 411947587 /nfs/dbraw/zinc/94/75/87/411947587.db2.gz BICCWFOEOFZTHS-NEPJUHHUSA-N 2 2 221.304 0.851 20 0 BCADLP c1cn(CC[N@H+]2CC[C@@H]3COC[C@@H]3C2)c[nH+]1 ZINC000662030918 411947589 /nfs/dbraw/zinc/94/75/89/411947589.db2.gz BICCWFOEOFZTHS-NEPJUHHUSA-N 2 2 221.304 0.851 20 0 BCADLP c1cn(CC[N@@H+]2CC[C@@H]3COC[C@H]3C2)c[nH+]1 ZINC000662030921 411947662 /nfs/dbraw/zinc/94/76/62/411947662.db2.gz BICCWFOEOFZTHS-VXGBXAGGSA-N 2 2 221.304 0.851 20 0 BCADLP c1cn(CC[N@H+]2CC[C@@H]3COC[C@H]3C2)c[nH+]1 ZINC000662030921 411947664 /nfs/dbraw/zinc/94/76/64/411947664.db2.gz BICCWFOEOFZTHS-VXGBXAGGSA-N 2 2 221.304 0.851 20 0 BCADLP Nc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000622004584 411954207 /nfs/dbraw/zinc/95/42/07/411954207.db2.gz QVBJEIIJIRGMSC-WCQYABFASA-N 2 2 232.331 0.977 20 0 BCADLP Nc1ccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000622004584 411954211 /nfs/dbraw/zinc/95/42/11/411954211.db2.gz QVBJEIIJIRGMSC-WCQYABFASA-N 2 2 232.331 0.977 20 0 BCADLP Nc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cn1 ZINC000647548128 411956772 /nfs/dbraw/zinc/95/67/72/411956772.db2.gz WFRCMQICPDQTCB-LLVKDONJSA-N 2 2 220.320 0.896 20 0 BCADLP Nc1ccc(NC(=O)[C@H]([NH3+])CC(F)F)c[nH+]1 ZINC000647756192 411957308 /nfs/dbraw/zinc/95/73/08/411957308.db2.gz ZRAOHAMOBNZUTL-ZCFIWIBFSA-N 2 2 230.218 0.585 20 0 BCADLP Nc1ncc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000570279913 411960291 /nfs/dbraw/zinc/96/02/91/411960291.db2.gz QULXSEPHRFYVNB-RKDXNWHRSA-N 2 2 238.360 0.767 20 0 BCADLP Nc1ncc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000570279913 411960296 /nfs/dbraw/zinc/96/02/96/411960296.db2.gz QULXSEPHRFYVNB-RKDXNWHRSA-N 2 2 238.360 0.767 20 0 BCADLP Nc1ccc(NC(=O)[C@H]2CCCCC[NH2+]2)c[nH+]1 ZINC000364467845 411960469 /nfs/dbraw/zinc/96/04/69/411960469.db2.gz OIPLCDXEQGNTGJ-SNVBAGLBSA-N 2 2 234.303 1.135 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)CCO[C@H]1CC1(F)F ZINC000662242546 412036878 /nfs/dbraw/zinc/03/68/78/412036878.db2.gz BULCXLOIRUIPSC-SFYZADRCSA-N 2 2 208.252 0.690 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)CCO[C@H]1CC1(F)F ZINC000662242546 412036882 /nfs/dbraw/zinc/03/68/82/412036882.db2.gz BULCXLOIRUIPSC-SFYZADRCSA-N 2 2 208.252 0.690 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)CCO[C@@H]1CC1(F)F ZINC000662242545 412038099 /nfs/dbraw/zinc/03/80/99/412038099.db2.gz BULCXLOIRUIPSC-JGVFFNPUSA-N 2 2 208.252 0.690 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)CCO[C@@H]1CC1(F)F ZINC000662242545 412038103 /nfs/dbraw/zinc/03/81/03/412038103.db2.gz BULCXLOIRUIPSC-JGVFFNPUSA-N 2 2 208.252 0.690 20 0 BCADLP COC[C@H](C[N@@H+]1CCCC[C@@H]1C[NH3+])OC ZINC000662243044 412038992 /nfs/dbraw/zinc/03/89/92/412038992.db2.gz KLXVSGJIZPSOGL-MNOVXSKESA-N 2 2 216.325 0.461 20 0 BCADLP COC[C@H](C[N@H+]1CCCC[C@@H]1C[NH3+])OC ZINC000662243044 412038995 /nfs/dbraw/zinc/03/89/95/412038995.db2.gz KLXVSGJIZPSOGL-MNOVXSKESA-N 2 2 216.325 0.461 20 0 BCADLP C[N@H+](CCO[C@H]1CC1(F)F)[C@H]1CC[NH2+]C1 ZINC000662245695 412042518 /nfs/dbraw/zinc/04/25/18/412042518.db2.gz NDUSYNTTYCZHGC-IUCAKERBSA-N 2 2 220.263 0.704 20 0 BCADLP C[N@@H+](CCO[C@H]1CC1(F)F)[C@H]1CC[NH2+]C1 ZINC000662245695 412042521 /nfs/dbraw/zinc/04/25/21/412042521.db2.gz NDUSYNTTYCZHGC-IUCAKERBSA-N 2 2 220.263 0.704 20 0 BCADLP CCC[N@H+](C[C@@H](COC)OC)[C@H]1CC[NH2+]C1 ZINC000662246123 412042742 /nfs/dbraw/zinc/04/27/42/412042742.db2.gz PRJJUPZJCGYURQ-RYUDHWBXSA-N 2 2 230.352 0.722 20 0 BCADLP CCC[N@@H+](C[C@@H](COC)OC)[C@H]1CC[NH2+]C1 ZINC000662246123 412042746 /nfs/dbraw/zinc/04/27/46/412042746.db2.gz PRJJUPZJCGYURQ-RYUDHWBXSA-N 2 2 230.352 0.722 20 0 BCADLP CC[N@H+](C[C@@H]1CCOC1)C[C@@H]1C[NH2+]CCO1 ZINC000662252248 412049073 /nfs/dbraw/zinc/04/90/73/412049073.db2.gz MXFOWASFEHAIOT-RYUDHWBXSA-N 2 2 228.336 0.333 20 0 BCADLP CC[N@@H+](C[C@@H]1CCOC1)C[C@@H]1C[NH2+]CCO1 ZINC000662252248 412049075 /nfs/dbraw/zinc/04/90/75/412049075.db2.gz MXFOWASFEHAIOT-RYUDHWBXSA-N 2 2 228.336 0.333 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)C[C@@H](C)O1 ZINC000662255270 412051371 /nfs/dbraw/zinc/05/13/71/412051371.db2.gz XFTRTTOELHKVAW-IJLUTSLNSA-N 2 2 228.336 0.474 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)C[C@@H](C)O1 ZINC000662255270 412051374 /nfs/dbraw/zinc/05/13/74/412051374.db2.gz XFTRTTOELHKVAW-IJLUTSLNSA-N 2 2 228.336 0.474 20 0 BCADLP CCC[N@H+](C[C@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000662262969 412053317 /nfs/dbraw/zinc/05/33/17/412053317.db2.gz JHYBAJFGQQRVQS-CYBMUJFWSA-N 3 2 241.379 0.439 20 0 BCADLP CCC[N@@H+](C[C@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000662262969 412053319 /nfs/dbraw/zinc/05/33/19/412053319.db2.gz JHYBAJFGQQRVQS-CYBMUJFWSA-N 3 2 241.379 0.439 20 0 BCADLP COC[C@@H](C[N@H+](C)C1(C[NH3+])CCC1)OC ZINC000662273290 412064651 /nfs/dbraw/zinc/06/46/51/412064651.db2.gz LIQJGDGFIQKVDT-SNVBAGLBSA-N 2 2 216.325 0.461 20 0 BCADLP COC[C@@H](C[N@@H+](C)C1(C[NH3+])CCC1)OC ZINC000662273290 412064653 /nfs/dbraw/zinc/06/46/53/412064653.db2.gz LIQJGDGFIQKVDT-SNVBAGLBSA-N 2 2 216.325 0.461 20 0 BCADLP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ncn1 ZINC000662273232 412065142 /nfs/dbraw/zinc/06/51/42/412065142.db2.gz KRHIGQZVMQXTLI-DGCLKSJQSA-N 2 2 232.331 0.969 20 0 BCADLP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ncn1 ZINC000662273232 412065148 /nfs/dbraw/zinc/06/51/48/412065148.db2.gz KRHIGQZVMQXTLI-DGCLKSJQSA-N 2 2 232.331 0.969 20 0 BCADLP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ncn1 ZINC000662273231 412065596 /nfs/dbraw/zinc/06/55/96/412065596.db2.gz KRHIGQZVMQXTLI-AAEUAGOBSA-N 2 2 232.331 0.969 20 0 BCADLP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ncn1 ZINC000662273231 412065599 /nfs/dbraw/zinc/06/55/99/412065599.db2.gz KRHIGQZVMQXTLI-AAEUAGOBSA-N 2 2 232.331 0.969 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000289861001 171147656 /nfs/dbraw/zinc/14/76/56/171147656.db2.gz CUQINRGZZPYMNH-IUCAKERBSA-N 2 2 222.292 0.414 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCOC[C@H]1C1CC1 ZINC000662280051 412070585 /nfs/dbraw/zinc/07/05/85/412070585.db2.gz XOIKGCUODFNNFR-NEPJUHHUSA-N 2 2 226.320 0.086 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCOC[C@H]1C1CC1 ZINC000662280051 412070587 /nfs/dbraw/zinc/07/05/87/412070587.db2.gz XOIKGCUODFNNFR-NEPJUHHUSA-N 2 2 226.320 0.086 20 0 BCADLP CC[C@@]1(C(=O)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000128672571 171196454 /nfs/dbraw/zinc/19/64/54/171196454.db2.gz NHODBYDVXSEQTH-LBPRGKRZSA-N 2 2 225.336 0.293 20 0 BCADLP FC1(F)C[C@]12CC[N@H+](C[C@@H]1C[NH2+]CCO1)C2 ZINC000662285139 412077921 /nfs/dbraw/zinc/07/79/21/412077921.db2.gz XWAQOEQQAWNTMV-UWVGGRQHSA-N 2 2 232.274 0.706 20 0 BCADLP FC1(F)C[C@]12CC[N@@H+](C[C@@H]1C[NH2+]CCO1)C2 ZINC000662285139 412077923 /nfs/dbraw/zinc/07/79/23/412077923.db2.gz XWAQOEQQAWNTMV-UWVGGRQHSA-N 2 2 232.274 0.706 20 0 BCADLP C[NH2+]CCC[N@H+](C)Cc1cc(C)ncn1 ZINC000662281846 412073515 /nfs/dbraw/zinc/07/35/15/412073515.db2.gz QAFWDKSXNZWBEC-UHFFFAOYSA-N 2 2 208.309 0.826 20 0 BCADLP C[NH2+]CCC[N@@H+](C)Cc1cc(C)ncn1 ZINC000662281846 412073518 /nfs/dbraw/zinc/07/35/18/412073518.db2.gz QAFWDKSXNZWBEC-UHFFFAOYSA-N 2 2 208.309 0.826 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccccn1 ZINC000662284575 412074548 /nfs/dbraw/zinc/07/45/48/412074548.db2.gz ZEDGYKIXXWIKKP-GHMZBOCLSA-N 2 2 221.304 0.721 20 0 BCADLP CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1=O ZINC000662283145 412075516 /nfs/dbraw/zinc/07/55/16/412075516.db2.gz LTRZNRNQPMTXRW-MXWKQRLJSA-N 2 2 225.336 0.467 20 0 BCADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227070815 171333109 /nfs/dbraw/zinc/33/31/09/171333109.db2.gz MQJSRYNZBJWTQO-FIQHERPVSA-N 2 2 241.379 0.959 20 0 BCADLP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227070815 171333111 /nfs/dbraw/zinc/33/31/11/171333111.db2.gz MQJSRYNZBJWTQO-FIQHERPVSA-N 2 2 241.379 0.959 20 0 BCADLP C[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)[C@H]1CC[NH3+] ZINC000662286624 412078478 /nfs/dbraw/zinc/07/84/78/412078478.db2.gz SMBWFADGKKPOLA-AGIUHOORSA-N 3 2 241.379 0.424 20 0 BCADLP C[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)[C@H]1CC[NH3+] ZINC000662286624 412078481 /nfs/dbraw/zinc/07/84/81/412078481.db2.gz SMBWFADGKKPOLA-AGIUHOORSA-N 3 2 241.379 0.424 20 0 BCADLP [NH3+]CC[N@H+](CCCC1CCCC1)C[C@@H](O)CO ZINC000662289158 412079114 /nfs/dbraw/zinc/07/91/14/412079114.db2.gz PHHJVOHUGZNJJO-CYBMUJFWSA-N 2 2 244.379 0.571 20 0 BCADLP [NH3+]CC[N@@H+](CCCC1CCCC1)C[C@@H](O)CO ZINC000662289158 412079118 /nfs/dbraw/zinc/07/91/18/412079118.db2.gz PHHJVOHUGZNJJO-CYBMUJFWSA-N 2 2 244.379 0.571 20 0 BCADLP C[C@H](CO)[C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662300716 412086864 /nfs/dbraw/zinc/08/68/64/412086864.db2.gz HWLVNEJAHNNVBQ-AGIUHOORSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H](CO)[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662300716 412086869 /nfs/dbraw/zinc/08/68/69/412086869.db2.gz HWLVNEJAHNNVBQ-AGIUHOORSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H](CO)[C@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662300717 412087753 /nfs/dbraw/zinc/08/77/53/412087753.db2.gz HWLVNEJAHNNVBQ-FRRDWIJNSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H](CO)[C@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662300717 412087756 /nfs/dbraw/zinc/08/77/56/412087756.db2.gz HWLVNEJAHNNVBQ-FRRDWIJNSA-N 2 2 242.363 0.458 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662306875 412092454 /nfs/dbraw/zinc/09/24/54/412092454.db2.gz URUXENWXWOKPMM-UHFFFAOYSA-N 3 2 234.347 0.776 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662306875 412092456 /nfs/dbraw/zinc/09/24/56/412092456.db2.gz URUXENWXWOKPMM-UHFFFAOYSA-N 3 2 234.347 0.776 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662317518 412098245 /nfs/dbraw/zinc/09/82/45/412098245.db2.gz QQDVSGAYIKKLOE-NXEZZACHSA-N 2 2 228.340 0.021 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662317518 412098249 /nfs/dbraw/zinc/09/82/49/412098249.db2.gz QQDVSGAYIKKLOE-NXEZZACHSA-N 2 2 228.340 0.021 20 0 BCADLP COC[C@H](C[N@@H+]1CC[C@@H](F)[C@H]([NH3+])C1)OC ZINC000662326366 412102161 /nfs/dbraw/zinc/10/21/61/412102161.db2.gz SILJFOULWAJBPK-IVZWLZJFSA-N 2 2 220.288 0.019 20 0 BCADLP COC[C@H](C[N@H+]1CC[C@@H](F)[C@H]([NH3+])C1)OC ZINC000662326366 412102166 /nfs/dbraw/zinc/10/21/66/412102166.db2.gz SILJFOULWAJBPK-IVZWLZJFSA-N 2 2 220.288 0.019 20 0 BCADLP Nc1cc(CN2CC[C@@H](F)[C@H]([NH3+])C2)cc[nH+]1 ZINC000662326451 412102952 /nfs/dbraw/zinc/10/29/52/412102952.db2.gz SUMVDOLXOLEUNP-NXEZZACHSA-N 2 2 224.283 0.535 20 0 BCADLP CN(Cc1c[nH+]cn1C)[C@H](C[NH3+])C(F)(F)F ZINC000662331012 412104762 /nfs/dbraw/zinc/10/47/62/412104762.db2.gz FCZRBJNSRFMBGR-MRVPVSSYSA-N 2 2 236.241 0.742 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCNc1cnccn1 ZINC000532551707 412132764 /nfs/dbraw/zinc/13/27/64/412132764.db2.gz CZLOMLWKXZTFTF-GHMZBOCLSA-N 2 2 235.335 0.428 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNc1cnccn1 ZINC000532551707 412132767 /nfs/dbraw/zinc/13/27/67/412132767.db2.gz CZLOMLWKXZTFTF-GHMZBOCLSA-N 2 2 235.335 0.428 20 0 BCADLP C[C@H]1C[C@@H](N[C@H]2CC[NH2+]C2)c2[nH+]ccn21 ZINC000665241139 412183507 /nfs/dbraw/zinc/18/35/07/412183507.db2.gz AECISWNCDHWWJX-LPEHRKFASA-N 2 2 206.293 0.840 20 0 BCADLP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000665242654 412186643 /nfs/dbraw/zinc/18/66/43/412186643.db2.gz FYFPNNHJFRWDLF-GARJFASQSA-N 2 2 246.376 0.294 20 0 BCADLP CC[C@@H](O)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000665262176 412205508 /nfs/dbraw/zinc/20/55/08/412205508.db2.gz VULSDMCIBGIDOM-OUAUKWLOSA-N 2 2 216.325 0.114 20 0 BCADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]([NH3+])C3)ccn12 ZINC000662394517 412144223 /nfs/dbraw/zinc/14/42/23/412144223.db2.gz ZLMWOOFMZRNOAE-LLVKDONJSA-N 2 2 244.298 0.816 20 0 BCADLP CC[C@@H]([NH2+]C)C(=O)NCCCCn1cc[nH+]c1 ZINC000662400331 412149301 /nfs/dbraw/zinc/14/93/01/412149301.db2.gz SAEDVMCJFKQDBS-LLVKDONJSA-N 2 2 238.335 0.778 20 0 BCADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)c2ccccc21 ZINC000665228897 412166487 /nfs/dbraw/zinc/16/64/87/412166487.db2.gz KFMJROIAFGJNQK-GRYCIOLGSA-N 2 2 231.299 0.609 20 0 BCADLP C[N@H+]1CCN(C(=O)C2CC3(CC3)C2)[C@@H](C[NH3+])C1 ZINC000662427735 412167494 /nfs/dbraw/zinc/16/74/94/412167494.db2.gz BTRZHRVEAOKTOU-NSHDSACASA-N 2 2 237.347 0.278 20 0 BCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCC2(C)C)[C@H](C[NH3+])C1 ZINC000662430059 412168421 /nfs/dbraw/zinc/16/84/21/412168421.db2.gz UHWKKFBNCWWEQK-GHMZBOCLSA-N 2 2 239.363 0.524 20 0 BCADLP C[N@H+]1CCN(C(=O)[C@H]2CCC2(C)C)[C@H](C[NH3+])C1 ZINC000662430059 412168425 /nfs/dbraw/zinc/16/84/25/412168425.db2.gz UHWKKFBNCWWEQK-GHMZBOCLSA-N 2 2 239.363 0.524 20 0 BCADLP C[N@@H+]1CCOC[C@@H]1CNc1[nH+]cnc2[nH]ccc21 ZINC000624620240 412254946 /nfs/dbraw/zinc/25/49/46/412254946.db2.gz ZDXAPTRJXDLGHW-VIFPVBQESA-N 2 2 247.302 0.700 20 0 BCADLP C[N@H+]1CCOC[C@@H]1CNc1[nH+]cnc2[nH]ccc21 ZINC000624620240 412254947 /nfs/dbraw/zinc/25/49/47/412254947.db2.gz ZDXAPTRJXDLGHW-VIFPVBQESA-N 2 2 247.302 0.700 20 0 BCADLP C[N@@H+]1CC[C@@](O)(CNc2cc[nH+]c(C3CC3)n2)C1 ZINC000358330791 412255654 /nfs/dbraw/zinc/25/56/54/412255654.db2.gz FXGUFPRPSAMAAH-CYBMUJFWSA-N 2 2 248.330 0.833 20 0 BCADLP C[N@H+]1CC[C@@](O)(CNc2cc[nH+]c(C3CC3)n2)C1 ZINC000358330791 412255656 /nfs/dbraw/zinc/25/56/56/412255656.db2.gz FXGUFPRPSAMAAH-CYBMUJFWSA-N 2 2 248.330 0.833 20 0 BCADLP C[C@H]1C[C@H](CNc2ccc(CO)c[nH+]2)CC[NH2+]1 ZINC000415101187 412269207 /nfs/dbraw/zinc/26/92/07/412269207.db2.gz HFJJHPVTCAAUKZ-WDEREUQCSA-N 2 2 235.331 1.374 20 0 BCADLP C[C@H](CNC(=O)CC1([NH3+])CC1)Cn1cc[nH+]c1 ZINC000662686834 412270795 /nfs/dbraw/zinc/27/07/95/412270795.db2.gz AIRMAFKYKDXXGW-SNVBAGLBSA-N 2 2 236.319 0.517 20 0 BCADLP [NH3+]C1(CC(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000662736594 412289099 /nfs/dbraw/zinc/28/90/99/412289099.db2.gz HSXZMBBUAYVOIY-UHFFFAOYSA-N 2 2 244.298 0.832 20 0 BCADLP COc1cc[nH+]cc1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662700019 412275504 /nfs/dbraw/zinc/27/55/04/412275504.db2.gz FUUBSCGGRATLOI-ZKCHVHJHSA-N 2 2 221.260 0.766 20 0 BCADLP C[NH2+]C(C)(C)CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000339039704 412289388 /nfs/dbraw/zinc/28/93/88/412289388.db2.gz RZTVLLWKHJQXPU-UHFFFAOYSA-N 2 2 238.339 0.656 20 0 BCADLP CC1(C)CC[NH2+][C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000662731052 412287157 /nfs/dbraw/zinc/28/71/57/412287157.db2.gz WZBIYNVOMCOHQH-JTQLQIEISA-N 2 2 236.319 0.457 20 0 BCADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cn[nH]c1 ZINC000665280225 412225154 /nfs/dbraw/zinc/22/51/54/412225154.db2.gz WFXMGIRZFYXIOQ-FKTRJACZSA-N 2 2 206.293 0.812 20 0 BCADLP CCC[NH2+][C@@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662584335 412228435 /nfs/dbraw/zinc/22/84/35/412228435.db2.gz AFEFUBWZLOURJG-VIFPVBQESA-N 2 2 224.308 0.756 20 0 BCADLP CCC[NH2+][C@@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662584335 412228436 /nfs/dbraw/zinc/22/84/36/412228436.db2.gz AFEFUBWZLOURJG-VIFPVBQESA-N 2 2 224.308 0.756 20 0 BCADLP C[C@H]([NH2+][C@H]1CCC[C@H]1[NH3+])c1nccn1C ZINC000665283801 412229011 /nfs/dbraw/zinc/22/90/11/412229011.db2.gz VLRBLLNOFHQIPL-AEJSXWLSSA-N 2 2 208.309 0.951 20 0 BCADLP C[C@H](N[C@H]1CCC[C@H]1[NH3+])c1[nH+]ccn1C ZINC000665283801 412229015 /nfs/dbraw/zinc/22/90/15/412229015.db2.gz VLRBLLNOFHQIPL-AEJSXWLSSA-N 2 2 208.309 0.951 20 0 BCADLP CC[C@@H]([NH2+]C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662584503 412229208 /nfs/dbraw/zinc/22/92/08/412229208.db2.gz BPZQDMJIUVNSSG-SECBINFHSA-N 2 2 210.281 0.366 20 0 BCADLP CC[C@@H]([NH2+]C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662584503 412229211 /nfs/dbraw/zinc/22/92/11/412229211.db2.gz BPZQDMJIUVNSSG-SECBINFHSA-N 2 2 210.281 0.366 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)CC1CC[NH2+]CC1 ZINC000662586632 412229808 /nfs/dbraw/zinc/22/98/08/412229808.db2.gz XMKVHGPOFBBXGJ-UHFFFAOYSA-N 2 2 236.319 0.758 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)CC1CC[NH2+]CC1 ZINC000662586632 412229810 /nfs/dbraw/zinc/22/98/10/412229810.db2.gz XMKVHGPOFBBXGJ-UHFFFAOYSA-N 2 2 236.319 0.758 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000662585143 412231124 /nfs/dbraw/zinc/23/11/24/412231124.db2.gz IAHRSZHZCAMRHW-SECBINFHSA-N 2 2 222.292 0.368 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000662585143 412231126 /nfs/dbraw/zinc/23/11/26/412231126.db2.gz IAHRSZHZCAMRHW-SECBINFHSA-N 2 2 222.292 0.368 20 0 BCADLP C[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])S(C)(=O)=O ZINC000665299358 412246151 /nfs/dbraw/zinc/24/61/51/412246151.db2.gz LOGGIEJSIWQPLM-MXWKQRLJSA-N 2 2 248.392 0.669 20 0 BCADLP C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)[C@H]1CCCC[NH2+]1 ZINC000665299262 412248718 /nfs/dbraw/zinc/24/87/18/412248718.db2.gz JMHDVLNVHJYOHK-HBNTYKKESA-N 2 2 248.392 0.540 20 0 BCADLP [NH3+]C1(C(=O)NCc2c[nH+]c[nH]2)CC2(CCC2)C1 ZINC000662793767 412305298 /nfs/dbraw/zinc/30/52/98/412305298.db2.gz ZEPDRYVOYDRNMO-UHFFFAOYSA-N 2 2 234.303 0.688 20 0 BCADLP [NH3+]C1(C(=O)NCc2c[nH]c[nH+]2)CC2(CCC2)C1 ZINC000662793767 412305300 /nfs/dbraw/zinc/30/53/00/412305300.db2.gz ZEPDRYVOYDRNMO-UHFFFAOYSA-N 2 2 234.303 0.688 20 0 BCADLP [NH3+]C1(CNC(=O)CCn2cc[nH+]c2)CCCC1 ZINC000662862734 412329656 /nfs/dbraw/zinc/32/96/56/412329656.db2.gz DRYUIVFLIYBBTE-UHFFFAOYSA-N 2 2 236.319 0.661 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)CCC[NH3+] ZINC000662900619 412340028 /nfs/dbraw/zinc/34/00/28/412340028.db2.gz RQNUFDBUDZQLHU-VIFPVBQESA-N 2 2 224.308 0.819 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1CCC[NH2+]1 ZINC000662899621 412340154 /nfs/dbraw/zinc/34/01/54/412340154.db2.gz GYUNBEVLYKTXMR-VHSXEESVSA-N 2 2 236.319 0.832 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662903244 412340829 /nfs/dbraw/zinc/34/08/29/412340829.db2.gz XTCVRWKKILUAJZ-OPRDCNLKSA-N 2 2 236.319 0.818 20 0 BCADLP C[C@H]([NH3+])CCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662935330 412349182 /nfs/dbraw/zinc/34/91/82/412349182.db2.gz ULDLZOFLGIQFTA-IUCAKERBSA-N 2 2 224.308 0.725 20 0 BCADLP CC(C)[NH2+]CCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662935652 412349391 /nfs/dbraw/zinc/34/93/91/412349391.db2.gz XFPNLHPOYOUZSX-SNVBAGLBSA-N 2 2 238.335 0.985 20 0 BCADLP C[C@@H]([NH3+])CCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662935331 412350093 /nfs/dbraw/zinc/35/00/93/412350093.db2.gz ULDLZOFLGIQFTA-RKDXNWHRSA-N 2 2 224.308 0.725 20 0 BCADLP CN(C[C@@H]1CC1(C)C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000662994358 412365185 /nfs/dbraw/zinc/36/51/85/412365185.db2.gz UIJSWWVUXCQJLT-QWRGUYRKSA-N 2 2 241.379 0.770 20 0 BCADLP C[NH2+]CCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000643000302 412290544 /nfs/dbraw/zinc/29/05/44/412290544.db2.gz DEHBVRKKFZRPNO-UHFFFAOYSA-N 2 2 208.309 1.405 20 0 BCADLP C[NH2+]C[C@@H](C)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000420209996 412291744 /nfs/dbraw/zinc/29/17/44/412291744.db2.gz RXLSCKITLIESNG-MRVPVSSYSA-N 2 2 233.319 1.534 20 0 BCADLP Cn1cc[nH+]c1[C@H]1N(C(=O)[C@H]2CC[NH2+]2)CC1(C)C ZINC000662756305 412292532 /nfs/dbraw/zinc/29/25/32/412292532.db2.gz ITDCSWCCXSGGCY-NXEZZACHSA-N 2 2 248.330 0.692 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@]2(C)CC[NH2+]C2)c[nH+]1 ZINC000663013481 412370952 /nfs/dbraw/zinc/37/09/52/412370952.db2.gz OESKXNLAMMHVEN-JTQLQIEISA-N 2 2 208.265 0.200 20 0 BCADLP CCn1cc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)cn1 ZINC000070800115 172165154 /nfs/dbraw/zinc/16/51/54/172165154.db2.gz AJLLRCVCLHKTKN-LLVKDONJSA-N 2 2 222.336 0.944 20 0 BCADLP CCn1cc(C[N@H+]2CC[C@H](C[NH2+]C)C2)cn1 ZINC000070800115 172165158 /nfs/dbraw/zinc/16/51/58/172165158.db2.gz AJLLRCVCLHKTKN-LLVKDONJSA-N 2 2 222.336 0.944 20 0 BCADLP CCn1cc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cn1 ZINC000309954828 172175232 /nfs/dbraw/zinc/17/52/32/172175232.db2.gz HVBSKMSMBBNEDH-JQWIXIFHSA-N 2 2 222.336 0.943 20 0 BCADLP CCn1cc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cn1 ZINC000309954828 172175234 /nfs/dbraw/zinc/17/52/34/172175234.db2.gz HVBSKMSMBBNEDH-JQWIXIFHSA-N 2 2 222.336 0.943 20 0 BCADLP CCn1nccc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358154617 172271659 /nfs/dbraw/zinc/27/16/59/172271659.db2.gz DTGJUOOHTXQPHQ-GFCCVEGCSA-N 2 2 238.335 0.059 20 0 BCADLP CN(C)C(=O)CC[N@H+](CC[NH3+])Cc1ccccc1 ZINC000038033264 172357514 /nfs/dbraw/zinc/35/75/14/172357514.db2.gz HONHLEFADYKHSA-UHFFFAOYSA-N 2 2 249.358 0.926 20 0 BCADLP CN(C)C(=O)CC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000038033264 172357516 /nfs/dbraw/zinc/35/75/16/172357516.db2.gz HONHLEFADYKHSA-UHFFFAOYSA-N 2 2 249.358 0.926 20 0 BCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000037187269 172364279 /nfs/dbraw/zinc/36/42/79/172364279.db2.gz QZQZRTYVPVDFMD-UHFFFAOYSA-N 2 2 239.363 0.539 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C[NH+](C)C)C1 ZINC000339726493 172413494 /nfs/dbraw/zinc/41/34/94/172413494.db2.gz WYNOFHWRLPSDMB-SNVBAGLBSA-N 2 2 236.319 0.298 20 0 BCADLP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cn1 ZINC000163744197 173033876 /nfs/dbraw/zinc/03/38/76/173033876.db2.gz NLGSATCEAABYKM-LLVKDONJSA-N 2 2 208.309 0.604 20 0 BCADLP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)cn1 ZINC000163744197 173033877 /nfs/dbraw/zinc/03/38/77/173033877.db2.gz NLGSATCEAABYKM-LLVKDONJSA-N 2 2 208.309 0.604 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)nn1 ZINC000336784198 173036568 /nfs/dbraw/zinc/03/65/68/173036568.db2.gz ZJTPEAMPFJZMGW-YPMHNXCESA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)nn1 ZINC000336784198 173036570 /nfs/dbraw/zinc/03/65/70/173036570.db2.gz ZJTPEAMPFJZMGW-YPMHNXCESA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)nn1 ZINC000336784198 173036572 /nfs/dbraw/zinc/03/65/72/173036572.db2.gz ZJTPEAMPFJZMGW-YPMHNXCESA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)nn1 ZINC000336784198 173036574 /nfs/dbraw/zinc/03/65/74/173036574.db2.gz ZJTPEAMPFJZMGW-YPMHNXCESA-N 2 2 249.362 0.731 20 0 BCADLP CN(C)C(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000104096426 173039215 /nfs/dbraw/zinc/03/92/15/173039215.db2.gz SBXXTIMPOPHFIX-NSHDSACASA-N 2 2 227.352 0.348 20 0 BCADLP CN(C)C(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000104096426 173039217 /nfs/dbraw/zinc/03/92/17/173039217.db2.gz SBXXTIMPOPHFIX-NSHDSACASA-N 2 2 227.352 0.348 20 0 BCADLP CN(C)C(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000104096426 173039219 /nfs/dbraw/zinc/03/92/19/173039219.db2.gz SBXXTIMPOPHFIX-NSHDSACASA-N 2 2 227.352 0.348 20 0 BCADLP CN(C)C(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000104096426 173039220 /nfs/dbraw/zinc/03/92/20/173039220.db2.gz SBXXTIMPOPHFIX-NSHDSACASA-N 2 2 227.352 0.348 20 0 BCADLP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)nn1 ZINC000054861026 173041996 /nfs/dbraw/zinc/04/19/96/173041996.db2.gz GEUPJASZVZDTRZ-SNVBAGLBSA-N 2 2 223.324 0.247 20 0 BCADLP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)nn1 ZINC000054861026 173041999 /nfs/dbraw/zinc/04/19/99/173041999.db2.gz GEUPJASZVZDTRZ-SNVBAGLBSA-N 2 2 223.324 0.247 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000299566818 173050809 /nfs/dbraw/zinc/05/08/09/173050809.db2.gz SVMGYIUORDWHEQ-JTQLQIEISA-N 2 2 222.292 0.094 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000299566818 173050810 /nfs/dbraw/zinc/05/08/10/173050810.db2.gz SVMGYIUORDWHEQ-JTQLQIEISA-N 2 2 222.292 0.094 20 0 BCADLP C[N@@H+]1CCN(C(=O)C[NH3+])[C@H](c2ccccc2)C1 ZINC000042237588 173067052 /nfs/dbraw/zinc/06/70/52/173067052.db2.gz ADHZUXVZNANXEJ-LBPRGKRZSA-N 2 2 233.315 0.460 20 0 BCADLP C[N@H+]1CCN(C(=O)C[NH3+])[C@H](c2ccccc2)C1 ZINC000042237588 173067054 /nfs/dbraw/zinc/06/70/54/173067054.db2.gz ADHZUXVZNANXEJ-LBPRGKRZSA-N 2 2 233.315 0.460 20 0 BCADLP C[NH+]1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000234318996 173070982 /nfs/dbraw/zinc/07/09/82/173070982.db2.gz DGISMFFWRSHEGO-LLVKDONJSA-N 2 2 239.363 0.539 20 0 BCADLP C[NH+]1CCN(C(=O)c2ccc(C[NH3+])o2)CC1 ZINC000011628012 173071802 /nfs/dbraw/zinc/07/18/02/173071802.db2.gz WHVYUNOBZJJWJG-UHFFFAOYSA-N 2 2 223.276 0.126 20 0 BCADLP CN1CC[C@@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000266908201 173120741 /nfs/dbraw/zinc/12/07/41/173120741.db2.gz IIEGBTXHXPFELP-GHMZBOCLSA-N 2 2 248.330 0.820 20 0 BCADLP CN1CC[C@@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000266908201 173120742 /nfs/dbraw/zinc/12/07/42/173120742.db2.gz IIEGBTXHXPFELP-GHMZBOCLSA-N 2 2 248.330 0.820 20 0 BCADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000042545989 173124261 /nfs/dbraw/zinc/12/42/61/173124261.db2.gz DTNHPQOQMIJBSM-GFCCVEGCSA-N 2 2 233.315 0.579 20 0 BCADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000042545989 173124266 /nfs/dbraw/zinc/12/42/66/173124266.db2.gz DTNHPQOQMIJBSM-GFCCVEGCSA-N 2 2 233.315 0.579 20 0 BCADLP C[N@@H+]1CC[C@@H]2CCN(CCn3cc[nH+]c3)C[C@@H]21 ZINC000378462073 173129382 /nfs/dbraw/zinc/12/93/82/173129382.db2.gz XVXPIJABTVLEDD-OLZOCXBDSA-N 2 2 234.347 0.909 20 0 BCADLP C[N@H+]1CC[C@@H]2CCN(CCn3cc[nH+]c3)C[C@@H]21 ZINC000378462073 173129386 /nfs/dbraw/zinc/12/93/86/173129386.db2.gz XVXPIJABTVLEDD-OLZOCXBDSA-N 2 2 234.347 0.909 20 0 BCADLP Cn1nccc1CC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000375250878 173129882 /nfs/dbraw/zinc/12/98/82/173129882.db2.gz XMQILXMUXJVPCI-OCCSQVGLSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1nccc1CC[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000375250878 173129884 /nfs/dbraw/zinc/12/98/84/173129884.db2.gz XMQILXMUXJVPCI-OCCSQVGLSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1nccc1CC[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000375250878 173129885 /nfs/dbraw/zinc/12/98/85/173129885.db2.gz XMQILXMUXJVPCI-OCCSQVGLSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1nccc1CC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000375250878 173129886 /nfs/dbraw/zinc/12/98/86/173129886.db2.gz XMQILXMUXJVPCI-OCCSQVGLSA-N 2 2 248.374 0.989 20 0 BCADLP C[NH+]1CC[C@@H]2CC[N@@H+](CCn3ccnc3)[C@@H]2C1 ZINC000375231793 173131407 /nfs/dbraw/zinc/13/14/07/173131407.db2.gz YYMJAEDRZSASBH-CHWSQXEVSA-N 2 2 234.347 0.909 20 0 BCADLP C[N@@H+]1CC[C@@H]2CC[NH+](CCn3ccnc3)[C@@H]2C1 ZINC000375231793 173131401 /nfs/dbraw/zinc/13/14/01/173131401.db2.gz YYMJAEDRZSASBH-CHWSQXEVSA-N 2 2 234.347 0.909 20 0 BCADLP C[N@H+]1CC[C@@H]2CC[NH+](CCn3ccnc3)[C@@H]2C1 ZINC000375231793 173131403 /nfs/dbraw/zinc/13/14/03/173131403.db2.gz YYMJAEDRZSASBH-CHWSQXEVSA-N 2 2 234.347 0.909 20 0 BCADLP C[NH+]1CC[C@@H]2CC[N@H+](CCn3ccnc3)[C@@H]2C1 ZINC000375231793 173131406 /nfs/dbraw/zinc/13/14/06/173131406.db2.gz YYMJAEDRZSASBH-CHWSQXEVSA-N 2 2 234.347 0.909 20 0 BCADLP C[N@@H+]1CC[C@@H]2CCN(Cc3c[nH]c[nH+]3)C[C@@H]21 ZINC000378472732 173134473 /nfs/dbraw/zinc/13/44/73/173134473.db2.gz JIKYQPHGRWOLJL-PWSUYJOCSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@H+]1CC[C@@H]2CCN(Cc3c[nH]c[nH+]3)C[C@@H]21 ZINC000378472732 173134477 /nfs/dbraw/zinc/13/44/77/173134477.db2.gz JIKYQPHGRWOLJL-PWSUYJOCSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@@H+]1CC[C@@H]2CCN(Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC000378472732 173134480 /nfs/dbraw/zinc/13/44/80/173134480.db2.gz JIKYQPHGRWOLJL-PWSUYJOCSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@H+]1CC[C@@H]2CCN(Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC000378472732 173134481 /nfs/dbraw/zinc/13/44/81/173134481.db2.gz JIKYQPHGRWOLJL-PWSUYJOCSA-N 2 2 220.320 0.936 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336280420 173139920 /nfs/dbraw/zinc/13/99/20/173139920.db2.gz LNQLKTKFTFCQCU-GFCCVEGCSA-N 2 2 225.336 0.102 20 0 BCADLP CN(C)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336280420 173139925 /nfs/dbraw/zinc/13/99/25/173139925.db2.gz LNQLKTKFTFCQCU-GFCCVEGCSA-N 2 2 225.336 0.102 20 0 BCADLP CN(C)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336280420 173139927 /nfs/dbraw/zinc/13/99/27/173139927.db2.gz LNQLKTKFTFCQCU-GFCCVEGCSA-N 2 2 225.336 0.102 20 0 BCADLP CN(C)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336280420 173139931 /nfs/dbraw/zinc/13/99/31/173139931.db2.gz LNQLKTKFTFCQCU-GFCCVEGCSA-N 2 2 225.336 0.102 20 0 BCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccccn2)C1 ZINC000336770518 173140028 /nfs/dbraw/zinc/14/00/28/173140028.db2.gz TUZVNSREUQQZSE-GFCCVEGCSA-N 2 2 221.304 0.238 20 0 BCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccccn2)C1 ZINC000336770518 173140031 /nfs/dbraw/zinc/14/00/31/173140031.db2.gz TUZVNSREUQQZSE-GFCCVEGCSA-N 2 2 221.304 0.238 20 0 BCADLP Cn1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000336775214 173164790 /nfs/dbraw/zinc/16/47/90/173164790.db2.gz YIVGRJLJYHGFMG-LBPRGKRZSA-N 2 2 223.320 0.181 20 0 BCADLP Cn1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000336775214 173164791 /nfs/dbraw/zinc/16/47/91/173164791.db2.gz YIVGRJLJYHGFMG-LBPRGKRZSA-N 2 2 223.320 0.181 20 0 BCADLP C[N@H+]1C[C@@H]2C[NH+](Cc3cncnc3)C[C@@H]2C1 ZINC000194542872 173198211 /nfs/dbraw/zinc/19/82/11/173198211.db2.gz BCRLXXAKVOAJPL-TXEJJXNPSA-N 2 2 218.304 0.470 20 0 BCADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cncnc3)C[C@@H]2C1 ZINC000194542872 173198215 /nfs/dbraw/zinc/19/82/15/173198215.db2.gz BCRLXXAKVOAJPL-TXEJJXNPSA-N 2 2 218.304 0.470 20 0 BCADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cncnc3)C[C@@H]2C1 ZINC000194542872 173198216 /nfs/dbraw/zinc/19/82/16/173198216.db2.gz BCRLXXAKVOAJPL-TXEJJXNPSA-N 2 2 218.304 0.470 20 0 BCADLP C[NH+]1C[C@@H]2C[N@H+](Cc3cncnc3)C[C@@H]2C1 ZINC000194542872 173198220 /nfs/dbraw/zinc/19/82/20/173198220.db2.gz BCRLXXAKVOAJPL-TXEJJXNPSA-N 2 2 218.304 0.470 20 0 BCADLP CNC(=[NH2+])NCCc1cn2c([nH+]1)CCCC2 ZINC000360448963 173210056 /nfs/dbraw/zinc/21/00/56/173210056.db2.gz OYPPJNOHYGEYDJ-UHFFFAOYSA-N 2 2 221.308 0.506 20 0 BCADLP CNC(=O)C(C)(C)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336766358 173220268 /nfs/dbraw/zinc/22/02/68/173220268.db2.gz OUMOXXYQCSFWNF-ZJUUUORDSA-N 2 2 227.352 0.298 20 0 BCADLP CNC(=O)C(C)(C)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336766358 173220265 /nfs/dbraw/zinc/22/02/65/173220265.db2.gz OUMOXXYQCSFWNF-ZJUUUORDSA-N 2 2 227.352 0.298 20 0 BCADLP CNC(=O)CCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336748136 173243893 /nfs/dbraw/zinc/24/38/93/173243893.db2.gz CKSUVOBAYDIFKP-ZJUUUORDSA-N 2 2 213.325 0.052 20 0 BCADLP CNC(=O)CCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336748136 173243894 /nfs/dbraw/zinc/24/38/94/173243894.db2.gz CKSUVOBAYDIFKP-ZJUUUORDSA-N 2 2 213.325 0.052 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC000356543879 173281768 /nfs/dbraw/zinc/28/17/68/173281768.db2.gz CSFFMBMMOFSOTR-LBPRGKRZSA-N 2 2 241.379 0.977 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000323065189 173282668 /nfs/dbraw/zinc/28/26/68/173282668.db2.gz UZCPGQSBQFCALQ-GARJFASQSA-N 2 2 239.363 0.726 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000323065189 173282669 /nfs/dbraw/zinc/28/26/69/173282669.db2.gz UZCPGQSBQFCALQ-GARJFASQSA-N 2 2 239.363 0.726 20 0 BCADLP CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364232083 173292534 /nfs/dbraw/zinc/29/25/34/173292534.db2.gz UUXKKCUMKMPODN-JTQLQIEISA-N 2 2 240.351 0.084 20 0 BCADLP CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364232083 173292535 /nfs/dbraw/zinc/29/25/35/173292535.db2.gz UUXKKCUMKMPODN-JTQLQIEISA-N 2 2 240.351 0.084 20 0 BCADLP CNC(=O)[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000179197128 173306216 /nfs/dbraw/zinc/30/62/16/173306216.db2.gz BWKIBOJERONGFL-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP CNC(=O)[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000179197128 173306217 /nfs/dbraw/zinc/30/62/17/173306217.db2.gz BWKIBOJERONGFL-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP C[NH2+]C1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000037469320 173323687 /nfs/dbraw/zinc/32/36/87/173323687.db2.gz PZBITIPIBJOARQ-SECBINFHSA-N 2 2 225.336 0.337 20 0 BCADLP C[NH2+]CC(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000083909181 173330042 /nfs/dbraw/zinc/33/00/42/173330042.db2.gz IDZFDPMKWBYIES-UHFFFAOYSA-N 2 2 232.287 0.478 20 0 BCADLP C[NH2+]CCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000357238539 173339292 /nfs/dbraw/zinc/33/92/92/173339292.db2.gz HYFUJCFFVFGPQG-UHFFFAOYSA-N 2 2 236.319 0.725 20 0 BCADLP C[NH2+]CCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000357238539 173339294 /nfs/dbraw/zinc/33/92/94/173339294.db2.gz HYFUJCFFVFGPQG-UHFFFAOYSA-N 2 2 236.319 0.725 20 0 BCADLP C[NH2+]CCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000285760167 173342168 /nfs/dbraw/zinc/34/21/68/173342168.db2.gz KJIUCEOWUCRHGO-UHFFFAOYSA-N 3 2 245.286 0.815 20 0 BCADLP C[NH2+]CCCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000037477817 173344234 /nfs/dbraw/zinc/34/42/34/173344234.db2.gz JUWVIRIHVTWZSX-SNVBAGLBSA-N 2 2 224.308 0.387 20 0 BCADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)NC1CCCC1 ZINC000124895353 173346312 /nfs/dbraw/zinc/34/63/12/173346312.db2.gz PKOALUXVLVGRDU-LLVKDONJSA-N 2 2 241.379 0.975 20 0 BCADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)NC1CCCC1 ZINC000124895353 173346313 /nfs/dbraw/zinc/34/63/13/173346313.db2.gz PKOALUXVLVGRDU-LLVKDONJSA-N 2 2 241.379 0.975 20 0 BCADLP C[NH2+]CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C ZINC000124972523 173346360 /nfs/dbraw/zinc/34/63/60/173346360.db2.gz PZQYXFKLSOMQKJ-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP C[NH2+]CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1C ZINC000124972523 173346361 /nfs/dbraw/zinc/34/63/61/173346361.db2.gz PZQYXFKLSOMQKJ-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000108362192 173347326 /nfs/dbraw/zinc/34/73/26/173347326.db2.gz YFAQWTHZXKMFDJ-JTQLQIEISA-N 2 2 213.325 0.052 20 0 BCADLP C[NH2+]CCC[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000108362192 173347327 /nfs/dbraw/zinc/34/73/27/173347327.db2.gz YFAQWTHZXKMFDJ-JTQLQIEISA-N 2 2 213.325 0.052 20 0 BCADLP C[NH2+]C[C@@H](C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000237206510 173363505 /nfs/dbraw/zinc/36/35/05/173363505.db2.gz CGULBVZZOWQBPK-WDEREUQCSA-N 2 2 238.335 0.491 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000040591699 173368302 /nfs/dbraw/zinc/36/83/02/173368302.db2.gz ZCPOYHGMXJDMEM-NSHDSACASA-N 2 2 222.336 0.852 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000040591699 173368303 /nfs/dbraw/zinc/36/83/03/173368303.db2.gz ZCPOYHGMXJDMEM-NSHDSACASA-N 2 2 222.336 0.852 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC000070800183 173369470 /nfs/dbraw/zinc/36/94/70/173369470.db2.gz WBIXOLKTPADEBC-JTQLQIEISA-N 2 2 225.336 0.149 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC000070800183 173369471 /nfs/dbraw/zinc/36/94/71/173369471.db2.gz WBIXOLKTPADEBC-JTQLQIEISA-N 2 2 225.336 0.149 20 0 BCADLP C[NH2+]C[C@@H]1CCN(Cc2[nH+]ccn2C)C1 ZINC000070799568 173370334 /nfs/dbraw/zinc/37/03/34/173370334.db2.gz HNKQFKPIGBJKPZ-JTQLQIEISA-N 2 2 208.309 0.461 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC000040601197 173379055 /nfs/dbraw/zinc/37/90/55/173379055.db2.gz HDJQJUUKWFZYGU-LLVKDONJSA-N 2 2 241.379 0.833 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC000040601197 173379057 /nfs/dbraw/zinc/37/90/57/173379057.db2.gz HDJQJUUKWFZYGU-LLVKDONJSA-N 2 2 241.379 0.833 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCOCCOC ZINC000070027587 173379834 /nfs/dbraw/zinc/37/98/34/173379834.db2.gz AOKPZQKYMPUPEM-LLVKDONJSA-N 2 2 216.325 0.333 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1CCOCCOC ZINC000070027587 173379835 /nfs/dbraw/zinc/37/98/35/173379835.db2.gz AOKPZQKYMPUPEM-LLVKDONJSA-N 2 2 216.325 0.333 20 0 BCADLP C[NH2+]C[C@H]1CCCN1CC[NH+]1CCOCC1 ZINC000042390403 173380324 /nfs/dbraw/zinc/38/03/24/173380324.db2.gz MIYMSEDFJZYPAR-GFCCVEGCSA-N 2 2 227.352 0.002 20 0 BCADLP COC1CC([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000309962351 174019845 /nfs/dbraw/zinc/01/98/45/174019845.db2.gz LWQZQFDENVCFHC-WHXUTIOJSA-N 2 2 221.304 0.965 20 0 BCADLP COC1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000270784786 174028032 /nfs/dbraw/zinc/02/80/32/174028032.db2.gz AUUQCCYPVNPCAY-UHFFFAOYSA-N 2 2 209.293 0.994 20 0 BCADLP COCCCC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000308586009 174202757 /nfs/dbraw/zinc/20/27/57/174202757.db2.gz IKEIELNFFCNEHD-GHMZBOCLSA-N 2 2 200.326 0.953 20 0 BCADLP COCCCC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000308586009 174202758 /nfs/dbraw/zinc/20/27/58/174202758.db2.gz IKEIELNFFCNEHD-GHMZBOCLSA-N 2 2 200.326 0.953 20 0 BCADLP COCCC[N@H+](C)CCc1c[nH+]cn1C ZINC000290003650 174215163 /nfs/dbraw/zinc/21/51/63/174215163.db2.gz LJDMEWCBNFWGDH-UHFFFAOYSA-N 2 2 211.309 0.931 20 0 BCADLP COCCC[N@@H+](C)CCc1c[nH+]cn1C ZINC000290003650 174215165 /nfs/dbraw/zinc/21/51/65/174215165.db2.gz LJDMEWCBNFWGDH-UHFFFAOYSA-N 2 2 211.309 0.931 20 0 BCADLP COCCC[C@@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000361346495 174260989 /nfs/dbraw/zinc/26/09/89/174260989.db2.gz OWRPBTKAQUVPKB-OLZOCXBDSA-N 2 2 243.395 0.637 20 0 BCADLP COCCC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000361346495 174260990 /nfs/dbraw/zinc/26/09/90/174260990.db2.gz OWRPBTKAQUVPKB-OLZOCXBDSA-N 2 2 243.395 0.637 20 0 BCADLP COCC[N@@H+](C)CCN[C@@H]1CC[NH+](C)C[C@H]1C ZINC000361023762 174279731 /nfs/dbraw/zinc/27/97/31/174279731.db2.gz OQQPITJIDSLWRF-CHWSQXEVSA-N 2 2 243.395 0.494 20 0 BCADLP COCC[NH+](C)CCN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000361023762 174279732 /nfs/dbraw/zinc/27/97/32/174279732.db2.gz OQQPITJIDSLWRF-CHWSQXEVSA-N 2 2 243.395 0.494 20 0 BCADLP COCC[NH+](C)CCN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000361023762 174279734 /nfs/dbraw/zinc/27/97/34/174279734.db2.gz OQQPITJIDSLWRF-CHWSQXEVSA-N 2 2 243.395 0.494 20 0 BCADLP COCC[NH+](CCOC)Cc1c[nH+]cn1C ZINC000177235686 174295763 /nfs/dbraw/zinc/29/57/63/174295763.db2.gz KICXWXGHISFUPI-UHFFFAOYSA-N 2 2 227.308 0.515 20 0 BCADLP COCC[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000336643900 174297544 /nfs/dbraw/zinc/29/75/44/174297544.db2.gz FAXUBSQDGIPMIX-UHFFFAOYSA-N 2 2 209.293 0.994 20 0 BCADLP COCC[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000336643900 174297546 /nfs/dbraw/zinc/29/75/46/174297546.db2.gz FAXUBSQDGIPMIX-UHFFFAOYSA-N 2 2 209.293 0.994 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCC[C@@H](C)CO)C1 ZINC000336903940 174314903 /nfs/dbraw/zinc/31/49/03/174314903.db2.gz VQLHJGFUXKAEGL-OLZOCXBDSA-N 2 2 244.379 0.705 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+]CCC[C@@H](C)CO)C1 ZINC000336903940 174314905 /nfs/dbraw/zinc/31/49/05/174314905.db2.gz VQLHJGFUXKAEGL-OLZOCXBDSA-N 2 2 244.379 0.705 20 0 BCADLP COCCOCCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336775147 174350459 /nfs/dbraw/zinc/35/04/59/174350459.db2.gz YEYDUANCMMXFQG-NEPJUHHUSA-N 2 2 230.352 0.579 20 0 BCADLP COCCOCCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336775147 174350461 /nfs/dbraw/zinc/35/04/61/174350461.db2.gz YEYDUANCMMXFQG-NEPJUHHUSA-N 2 2 230.352 0.579 20 0 BCADLP COCCOCC[N@H+](C)CCn1cc[nH+]c1 ZINC000288777728 174351699 /nfs/dbraw/zinc/35/16/99/174351699.db2.gz IZGFJFAEUFNMCD-UHFFFAOYSA-N 2 2 227.308 0.478 20 0 BCADLP COCCOCC[N@@H+](C)CCn1cc[nH+]c1 ZINC000288777728 174351701 /nfs/dbraw/zinc/35/17/01/174351701.db2.gz IZGFJFAEUFNMCD-UHFFFAOYSA-N 2 2 227.308 0.478 20 0 BCADLP COCCOCC[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000070531750 174352922 /nfs/dbraw/zinc/35/29/22/174352922.db2.gz ARMLCRUIXSAKGB-VXGBXAGGSA-N 2 2 230.352 0.851 20 0 BCADLP COCCOCC[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000070531750 174352923 /nfs/dbraw/zinc/35/29/23/174352923.db2.gz ARMLCRUIXSAKGB-VXGBXAGGSA-N 2 2 230.352 0.851 20 0 BCADLP C[C@@H]1CCC[N@H+](CCn2cccn2)[C@@H]1C[NH3+] ZINC000043617130 176100367 /nfs/dbraw/zinc/10/03/67/176100367.db2.gz BQSZEHURVYFZKB-VXGBXAGGSA-N 2 2 222.336 0.942 20 0 BCADLP C[C@@H]1CCC[N@@H+](CCn2cccn2)[C@@H]1C[NH3+] ZINC000043617130 176100368 /nfs/dbraw/zinc/10/03/68/176100368.db2.gz BQSZEHURVYFZKB-VXGBXAGGSA-N 2 2 222.336 0.942 20 0 BCADLP C[C@@H]1CCC[N@H+](Cc2cnn(C)c2)[C@@H]1C[NH3+] ZINC000069725875 176102390 /nfs/dbraw/zinc/10/23/90/176102390.db2.gz ALGNDDVUKMHADL-ZYHUDNBSSA-N 2 2 222.336 0.979 20 0 BCADLP C[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)[C@@H]1C[NH3+] ZINC000069725875 176102392 /nfs/dbraw/zinc/10/23/92/176102392.db2.gz ALGNDDVUKMHADL-ZYHUDNBSSA-N 2 2 222.336 0.979 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000333311040 176184937 /nfs/dbraw/zinc/18/49/37/176184937.db2.gz RVTBBTCTDDJVOC-CDMKHQONSA-N 2 2 234.347 0.855 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000126989705 176187383 /nfs/dbraw/zinc/18/73/83/176187383.db2.gz XZGMNAJQYLHFRK-MNOVXSKESA-N 2 2 236.319 0.387 20 0 BCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1c[nH+]c[nH]1 ZINC000331274814 176199124 /nfs/dbraw/zinc/19/91/24/176199124.db2.gz DNTKDTFVMSUNJI-NXEZZACHSA-N 2 2 236.319 0.899 20 0 BCADLP C[C@@H]1CC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000669585655 487633559 /nfs/dbraw/zinc/63/35/59/487633559.db2.gz IAEJSVDWUTYTEW-GMTAPVOTSA-N 2 2 240.351 0.069 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCC(=O)N(C)C ZINC000336725053 176271724 /nfs/dbraw/zinc/27/17/24/176271724.db2.gz BIJIUDGCDJYPIR-MNOVXSKESA-N 2 2 227.352 0.395 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCC(=O)N(C)C ZINC000336725053 176271726 /nfs/dbraw/zinc/27/17/26/176271726.db2.gz BIJIUDGCDJYPIR-MNOVXSKESA-N 2 2 227.352 0.395 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCCCO ZINC000308658158 176272424 /nfs/dbraw/zinc/27/24/24/176272424.db2.gz OXQSRPWPLRBDPX-MNOVXSKESA-N 2 2 200.326 0.689 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCCCO ZINC000308658158 176272426 /nfs/dbraw/zinc/27/24/26/176272426.db2.gz OXQSRPWPLRBDPX-MNOVXSKESA-N 2 2 200.326 0.689 20 0 BCADLP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000309744142 176273142 /nfs/dbraw/zinc/27/31/42/176273142.db2.gz FCBGGTXBLRFEEC-NEPJUHHUSA-N 2 2 222.336 0.813 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000309744142 176273144 /nfs/dbraw/zinc/27/31/44/176273144.db2.gz FCBGGTXBLRFEEC-NEPJUHHUSA-N 3 2 222.336 0.813 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000309744142 176273146 /nfs/dbraw/zinc/27/31/46/176273146.db2.gz FCBGGTXBLRFEEC-NEPJUHHUSA-N 3 2 222.336 0.813 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000360769830 176273512 /nfs/dbraw/zinc/27/35/12/176273512.db2.gz CJZCTHGIXATDTG-NDBYEHHHSA-N 2 2 242.363 0.171 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000360769830 176273514 /nfs/dbraw/zinc/27/35/14/176273514.db2.gz CJZCTHGIXATDTG-NDBYEHHHSA-N 2 2 242.363 0.171 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@]1(C)CCOC1 ZINC000336747925 176273657 /nfs/dbraw/zinc/27/36/57/176273657.db2.gz CXLVPXPGLBJLHZ-GRYCIOLGSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@]1(C)CCOC1 ZINC000336747925 176273658 /nfs/dbraw/zinc/27/36/58/176273658.db2.gz CXLVPXPGLBJLHZ-GRYCIOLGSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000309827572 176273872 /nfs/dbraw/zinc/27/38/72/176273872.db2.gz XPQVVEBQCBRIRU-MXWKQRLJSA-N 2 2 225.336 0.147 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000309827572 176273873 /nfs/dbraw/zinc/27/38/73/176273873.db2.gz XPQVVEBQCBRIRU-MXWKQRLJSA-N 2 2 225.336 0.147 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@]1(O)CCSC1 ZINC000336758964 176274287 /nfs/dbraw/zinc/27/42/87/176274287.db2.gz LBJKLRNWLXNGAY-OUAUKWLOSA-N 2 2 230.377 0.394 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@]1(O)CCSC1 ZINC000336758964 176274289 /nfs/dbraw/zinc/27/42/89/176274289.db2.gz LBJKLRNWLXNGAY-OUAUKWLOSA-N 2 2 230.377 0.394 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000362762504 176275671 /nfs/dbraw/zinc/27/56/71/176275671.db2.gz JWHZJHGJACHKBB-NXEZZACHSA-N 2 2 236.319 0.566 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000362762504 176275672 /nfs/dbraw/zinc/27/56/72/176275672.db2.gz JWHZJHGJACHKBB-NXEZZACHSA-N 2 2 236.319 0.566 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@]1(O)CCSC1 ZINC000336758963 176277077 /nfs/dbraw/zinc/27/70/77/176277077.db2.gz LBJKLRNWLXNGAY-MXWKQRLJSA-N 2 2 230.377 0.394 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@]1(O)CCSC1 ZINC000336758963 176277078 /nfs/dbraw/zinc/27/70/78/176277078.db2.gz LBJKLRNWLXNGAY-MXWKQRLJSA-N 2 2 230.377 0.394 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1=CC[NH+](C)CC1 ZINC000335605720 176277770 /nfs/dbraw/zinc/27/77/70/176277770.db2.gz FPTCYSPKGIFOKC-DGCLKSJQSA-N 3 2 223.364 0.788 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1=CC[NH+](C)CC1 ZINC000335605720 176277771 /nfs/dbraw/zinc/27/77/71/176277771.db2.gz FPTCYSPKGIFOKC-DGCLKSJQSA-N 3 2 223.364 0.788 20 0 BCADLP C[C@@H]1C[NH+](C)C[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000335605720 176277772 /nfs/dbraw/zinc/27/77/72/176277772.db2.gz FPTCYSPKGIFOKC-DGCLKSJQSA-N 3 2 223.364 0.788 20 0 BCADLP C[C@@H]1C[NH+](C)C[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335605720 176277773 /nfs/dbraw/zinc/27/77/73/176277773.db2.gz FPTCYSPKGIFOKC-DGCLKSJQSA-N 3 2 223.364 0.788 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCCCO ZINC000308658157 176277823 /nfs/dbraw/zinc/27/78/23/176277823.db2.gz OXQSRPWPLRBDPX-GHMZBOCLSA-N 2 2 200.326 0.689 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCCCO ZINC000308658157 176277824 /nfs/dbraw/zinc/27/78/24/176277824.db2.gz OXQSRPWPLRBDPX-GHMZBOCLSA-N 2 2 200.326 0.689 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000358283845 176278005 /nfs/dbraw/zinc/27/80/05/176278005.db2.gz DMDSVZBKMLCJTG-SUZMYJTESA-N 2 2 234.347 0.807 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000358283845 176278006 /nfs/dbraw/zinc/27/80/06/176278006.db2.gz DMDSVZBKMLCJTG-SUZMYJTESA-N 2 2 234.347 0.807 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)C(F)F ZINC000309731250 176281091 /nfs/dbraw/zinc/28/10/91/176281091.db2.gz BFOGHLFFAUKLCI-FKTZTGRPSA-N 2 2 234.290 0.685 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)C(F)F ZINC000309731250 176281093 /nfs/dbraw/zinc/28/10/93/176281093.db2.gz BFOGHLFFAUKLCI-FKTZTGRPSA-N 2 2 234.290 0.685 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1ncn(C)n1 ZINC000358393189 176281759 /nfs/dbraw/zinc/28/17/59/176281759.db2.gz GESZBEQWHYUKOC-PWSUYJOCSA-N 2 2 249.362 0.430 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1ncn(C)n1 ZINC000358393189 176281760 /nfs/dbraw/zinc/28/17/60/176281760.db2.gz GESZBEQWHYUKOC-PWSUYJOCSA-N 2 2 249.362 0.430 20 0 BCADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CC(=O)N1C ZINC000297605055 176295809 /nfs/dbraw/zinc/29/58/09/176295809.db2.gz KFFUGOZEUMQXFI-SNVBAGLBSA-N 2 2 236.319 0.125 20 0 BCADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CC(=O)N1C ZINC000297605055 176295810 /nfs/dbraw/zinc/29/58/10/176295810.db2.gz KFFUGOZEUMQXFI-SNVBAGLBSA-N 2 2 236.319 0.125 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)CC(C)(C)O1 ZINC000041681560 176297815 /nfs/dbraw/zinc/29/78/15/176297815.db2.gz JNBLWOULTCBLFA-MNOVXSKESA-N 2 2 228.336 0.474 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)CC(C)(C)O1 ZINC000041681560 176297816 /nfs/dbraw/zinc/29/78/16/176297816.db2.gz JNBLWOULTCBLFA-MNOVXSKESA-N 2 2 228.336 0.474 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CC[NH+](C)C2)CC[N@@H+]1C ZINC000358259722 176376909 /nfs/dbraw/zinc/37/69/09/176376909.db2.gz USEWWZSHMVCCSK-FRRDWIJNSA-N 3 2 241.379 0.125 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CC[NH+](C)C2)CC[N@H+]1C ZINC000358259722 176376910 /nfs/dbraw/zinc/37/69/10/176376910.db2.gz USEWWZSHMVCCSK-FRRDWIJNSA-N 3 2 241.379 0.125 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)CC[NH+]1C ZINC000358259722 176376912 /nfs/dbraw/zinc/37/69/12/176376912.db2.gz USEWWZSHMVCCSK-FRRDWIJNSA-N 3 2 241.379 0.125 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC[NH+]1C ZINC000358259722 176376914 /nfs/dbraw/zinc/37/69/14/176376914.db2.gz USEWWZSHMVCCSK-FRRDWIJNSA-N 3 2 241.379 0.125 20 0 BCADLP C[C@H]1CC(=O)NCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000371199028 177062732 /nfs/dbraw/zinc/06/27/32/177062732.db2.gz QMMXNEYTGAODFH-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@H]1CC(=O)NCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000371199028 177062733 /nfs/dbraw/zinc/06/27/33/177062733.db2.gz QMMXNEYTGAODFH-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@H]1CC(=O)NCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000371199028 177062734 /nfs/dbraw/zinc/06/27/34/177062734.db2.gz QMMXNEYTGAODFH-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@H]1CC(=O)NCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000371199028 177062735 /nfs/dbraw/zinc/06/27/35/177062735.db2.gz QMMXNEYTGAODFH-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@H]1CC(=O)NCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000371474312 177062768 /nfs/dbraw/zinc/06/27/68/177062768.db2.gz YOHMBORJGBUWRN-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP C[C@H]1CC(=O)NCC[N@H+]1CCCn1cc[nH+]c1 ZINC000371474312 177062769 /nfs/dbraw/zinc/06/27/69/177062769.db2.gz YOHMBORJGBUWRN-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP C[C@H]1CCC[N@H+](CCn2cccn2)[C@@H]1C[NH3+] ZINC000043617131 177099546 /nfs/dbraw/zinc/09/95/46/177099546.db2.gz BQSZEHURVYFZKB-NWDGAFQWSA-N 2 2 222.336 0.942 20 0 BCADLP C[C@H]1CCC[N@@H+](CCn2cccn2)[C@@H]1C[NH3+] ZINC000043617131 177099548 /nfs/dbraw/zinc/09/95/48/177099548.db2.gz BQSZEHURVYFZKB-NWDGAFQWSA-N 2 2 222.336 0.942 20 0 BCADLP C[C@H]1CCNC(=O)[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000193599170 177173784 /nfs/dbraw/zinc/17/37/84/177173784.db2.gz JFXNHXHJENTHTF-WDEREUQCSA-N 2 2 236.319 0.387 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cnc2cnccn12 ZINC000333094971 177175212 /nfs/dbraw/zinc/17/52/12/177175212.db2.gz CZTICOHMSCESEG-CMPLNLGQSA-N 2 2 245.330 0.817 20 0 BCADLP C[C@H]1CCOCC[N@@H+]1CCn1cc[nH+]c1 ZINC000374983673 177177141 /nfs/dbraw/zinc/17/71/41/177177141.db2.gz VUXWSPUFJGQLOD-NSHDSACASA-N 2 2 209.293 0.994 20 0 BCADLP C[C@H]1CCOCC[N@H+]1CCn1cc[nH+]c1 ZINC000374983673 177177142 /nfs/dbraw/zinc/17/71/42/177177142.db2.gz VUXWSPUFJGQLOD-NSHDSACASA-N 2 2 209.293 0.994 20 0 BCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1[nH]cc[nH+]1 ZINC000330969192 177198899 /nfs/dbraw/zinc/19/88/99/177198899.db2.gz MDWHUDBKFMYYBS-UWVGGRQHSA-N 2 2 236.319 0.899 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCC[NH+](C)C ZINC000336748661 177237215 /nfs/dbraw/zinc/23/72/15/177237215.db2.gz DLDIBRHFEJELAE-NWDGAFQWSA-N 3 2 213.369 0.868 20 0 BCADLP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000361928254 177236490 /nfs/dbraw/zinc/23/64/90/177236490.db2.gz VWCITQDMAZAAQD-LOWDOPEQSA-N 2 2 242.363 0.720 20 0 BCADLP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000361928254 177236492 /nfs/dbraw/zinc/23/64/92/177236492.db2.gz VWCITQDMAZAAQD-LOWDOPEQSA-N 2 2 242.363 0.720 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCC[NH+](C)C ZINC000336748661 177237214 /nfs/dbraw/zinc/23/72/14/177237214.db2.gz DLDIBRHFEJELAE-NWDGAFQWSA-N 3 2 213.369 0.868 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCn1cnnc1C1CC1 ZINC000358032013 177238204 /nfs/dbraw/zinc/23/82/04/177238204.db2.gz BGTXPJWATHITSQ-CMPLNLGQSA-N 2 2 249.362 0.695 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCn1cnnc1C1CC1 ZINC000358032013 177238207 /nfs/dbraw/zinc/23/82/07/177238207.db2.gz BGTXPJWATHITSQ-CMPLNLGQSA-N 2 2 249.362 0.695 20 0 BCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1c[nH+]cn1C ZINC000336436987 177269590 /nfs/dbraw/zinc/26/95/90/177269590.db2.gz GFHMYWDYIHVBJF-QWRGUYRKSA-N 2 2 222.336 0.945 20 0 BCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1c[nH+]cn1C ZINC000336436987 177269591 /nfs/dbraw/zinc/26/95/91/177269591.db2.gz GFHMYWDYIHVBJF-QWRGUYRKSA-N 2 2 222.336 0.945 20 0 BCADLP C[C@@H]1CN(CC[NH+]2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000062613176 177286714 /nfs/dbraw/zinc/28/67/14/177286714.db2.gz QTIQQPQATFVVHD-NEPJUHHUSA-N 2 2 227.352 0.001 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCCC[NH3+])C[N@@H+]1C1CC1 ZINC000229934478 177331022 /nfs/dbraw/zinc/33/10/22/177331022.db2.gz BUFJRTIURZXREK-WDEREUQCSA-N 3 2 211.353 0.940 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCCC[NH3+])C[N@H+]1C1CC1 ZINC000229934478 177331024 /nfs/dbraw/zinc/33/10/24/177331024.db2.gz BUFJRTIURZXREK-WDEREUQCSA-N 3 2 211.353 0.940 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1nncn1C ZINC000038007812 177333872 /nfs/dbraw/zinc/33/38/72/177333872.db2.gz WDKAFJDLGVGCEK-OUAUKWLOSA-N 2 2 237.351 0.633 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1nncn1C ZINC000038007812 177333873 /nfs/dbraw/zinc/33/38/73/177333873.db2.gz WDKAFJDLGVGCEK-OUAUKWLOSA-N 2 2 237.351 0.633 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000229588528 177395576 /nfs/dbraw/zinc/39/55/76/177395576.db2.gz SGAIURSUKBYUGT-GHMZBOCLSA-N 2 2 236.319 0.530 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000290031036 177395760 /nfs/dbraw/zinc/39/57/60/177395760.db2.gz UAVIKZMWOCFGTK-NXEZZACHSA-N 2 2 236.319 0.424 20 0 BCADLP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000226016912 487643712 /nfs/dbraw/zinc/64/37/12/487643712.db2.gz MMGHKXWGJLSOGM-RYUDHWBXSA-N 3 2 229.368 0.424 20 0 BCADLP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000226016912 487643715 /nfs/dbraw/zinc/64/37/15/487643715.db2.gz MMGHKXWGJLSOGM-RYUDHWBXSA-N 3 2 229.368 0.424 20 0 BCADLP C[C@@H]1C[C@H]1C[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000488321019 225370569 /nfs/dbraw/zinc/37/05/69/225370569.db2.gz DQOKXTAXMUOJAF-WOPDTQHZSA-N 2 2 212.337 0.905 20 0 BCADLP C[C@@H]1C[C@H]1C[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000488321019 225370571 /nfs/dbraw/zinc/37/05/71/225370571.db2.gz DQOKXTAXMUOJAF-WOPDTQHZSA-N 2 2 212.337 0.905 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@](O)(CO)C1 ZINC000313645756 487645697 /nfs/dbraw/zinc/64/56/97/487645697.db2.gz WCKSTGYEUWBYNX-GFCCVEGCSA-N 2 2 239.319 0.011 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@](O)(CO)C1 ZINC000313645756 487645700 /nfs/dbraw/zinc/64/57/00/487645700.db2.gz WCKSTGYEUWBYNX-GFCCVEGCSA-N 2 2 239.319 0.011 20 0 BCADLP C[NH+](C)C/C=C/C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000492720915 226042264 /nfs/dbraw/zinc/04/22/64/226042264.db2.gz RCSOPRCRAHYKJI-UFFNRZRYSA-N 2 2 248.330 0.432 20 0 BCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493213293 226155960 /nfs/dbraw/zinc/15/59/60/226155960.db2.gz DFYXGGBVGHOBRO-UMBAGQNISA-N 2 2 234.303 0.585 20 0 BCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493213293 226155964 /nfs/dbraw/zinc/15/59/64/226155964.db2.gz DFYXGGBVGHOBRO-UMBAGQNISA-N 2 2 234.303 0.585 20 0 BCADLP C[C@H]1C[N@H+](C)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493213295 226157032 /nfs/dbraw/zinc/15/70/32/226157032.db2.gz DFYXGGBVGHOBRO-XOULXFPDSA-N 2 2 234.303 0.585 20 0 BCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493213295 226157033 /nfs/dbraw/zinc/15/70/33/226157033.db2.gz DFYXGGBVGHOBRO-XOULXFPDSA-N 2 2 234.303 0.585 20 0 BCADLP C[NH+](C)[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000493265241 226170266 /nfs/dbraw/zinc/17/02/66/226170266.db2.gz MNLSPONUDLPVBN-BTDICHCPSA-N 2 2 248.330 0.879 20 0 BCADLP C[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C[NH+](C)C ZINC000493425592 226213039 /nfs/dbraw/zinc/21/30/39/226213039.db2.gz DLRGVVYFKSQJOX-LWTINBJPSA-N 2 2 236.319 0.737 20 0 BCADLP C[C@H](CC[NH+](C)C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493486295 226228980 /nfs/dbraw/zinc/22/89/80/226228980.db2.gz NBYFXXUABCCCFP-ORAHPGNNSA-N 2 2 236.319 0.879 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCN1CCOC1=O ZINC000493691412 226249738 /nfs/dbraw/zinc/24/97/38/226249738.db2.gz FATXJEIJDGAIHR-QWRGUYRKSA-N 2 2 241.335 0.368 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCN1CCOC1=O ZINC000493691412 226249739 /nfs/dbraw/zinc/24/97/39/226249739.db2.gz FATXJEIJDGAIHR-QWRGUYRKSA-N 2 2 241.335 0.368 20 0 BCADLP O=C(/C=C/c1[nH]cc[nH+]1)NCCCn1cc[nH+]c1 ZINC000493738365 226251969 /nfs/dbraw/zinc/25/19/69/226251969.db2.gz IYKKNAIXJJAXQF-NSCUHMNNSA-N 2 2 245.286 0.826 20 0 BCADLP COCC(C)(C)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000494087042 226260956 /nfs/dbraw/zinc/26/09/56/226260956.db2.gz DVYUEDSXWLQPAZ-LBPRGKRZSA-N 2 2 243.395 0.494 20 0 BCADLP COCC(C)(C)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000494087042 226260957 /nfs/dbraw/zinc/26/09/57/226260957.db2.gz DVYUEDSXWLQPAZ-LBPRGKRZSA-N 2 2 243.395 0.494 20 0 BCADLP Cn1cncc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494425961 226265188 /nfs/dbraw/zinc/26/51/88/226265188.db2.gz NYKIKPMLJLQPIF-SNVBAGLBSA-N 2 2 231.303 0.721 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400634271 226348039 /nfs/dbraw/zinc/34/80/39/226348039.db2.gz MHKXAYREPSGWMM-PWSUYJOCSA-N 3 2 222.336 0.922 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400634264 226348076 /nfs/dbraw/zinc/34/80/76/226348076.db2.gz MHKXAYREPSGWMM-CMPLNLGQSA-N 3 2 222.336 0.922 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400634272 226348206 /nfs/dbraw/zinc/34/82/06/226348206.db2.gz MHKXAYREPSGWMM-ZYHUDNBSSA-N 3 2 222.336 0.922 20 0 BCADLP Cc1c(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cnn1C ZINC000400639225 226348430 /nfs/dbraw/zinc/34/84/30/226348430.db2.gz NPFIVROPWWPRLS-CABZTGNLSA-N 2 2 222.336 0.959 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335767360 487665664 /nfs/dbraw/zinc/66/56/64/487665664.db2.gz LZULHVCTTUBZJP-GFCCVEGCSA-N 2 2 225.336 0.198 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335767360 487665670 /nfs/dbraw/zinc/66/56/70/487665670.db2.gz LZULHVCTTUBZJP-GFCCVEGCSA-N 2 2 225.336 0.198 20 0 BCADLP C[N@@H+]1CCN(Cc2nccs2)[C@H](C[NH3+])C1 ZINC000087613729 487671961 /nfs/dbraw/zinc/67/19/61/487671961.db2.gz NXALPNKBKFMGFA-SECBINFHSA-N 2 2 226.349 0.218 20 0 BCADLP C[N@H+]1CCN(Cc2nccs2)[C@H](C[NH3+])C1 ZINC000087613729 487671965 /nfs/dbraw/zinc/67/19/65/487671965.db2.gz NXALPNKBKFMGFA-SECBINFHSA-N 2 2 226.349 0.218 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)N(C)C)C1 ZINC000328398650 487674518 /nfs/dbraw/zinc/67/45/18/487674518.db2.gz ZMTGAUOKWWOOTE-RYUDHWBXSA-N 2 2 241.379 0.927 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)N(C)C)C1 ZINC000328398650 487674522 /nfs/dbraw/zinc/67/45/22/487674522.db2.gz ZMTGAUOKWWOOTE-RYUDHWBXSA-N 2 2 241.379 0.927 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@](C)(OC)C1 ZINC000383835132 487677076 /nfs/dbraw/zinc/67/70/76/487677076.db2.gz YJNGAYTTXHDAML-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@](C)(OC)C1 ZINC000383835132 487677078 /nfs/dbraw/zinc/67/70/78/487677078.db2.gz YJNGAYTTXHDAML-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@](C)(OC)C1 ZINC000383835132 487677082 /nfs/dbraw/zinc/67/70/82/487677082.db2.gz YJNGAYTTXHDAML-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@](C)(OC)C1 ZINC000383835132 487677084 /nfs/dbraw/zinc/67/70/84/487677084.db2.gz YJNGAYTTXHDAML-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+]CC[C@H](C)CCO)C1 ZINC000397620368 262927948 /nfs/dbraw/zinc/92/79/48/262927948.db2.gz GKVDWGUAOGWWTN-STQMWFEESA-N 2 2 244.379 0.705 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)CCO)C1 ZINC000397620368 262927950 /nfs/dbraw/zinc/92/79/50/262927950.db2.gz GKVDWGUAOGWWTN-STQMWFEESA-N 2 2 244.379 0.705 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC(F)(F)CO)C1 ZINC000228648171 487699839 /nfs/dbraw/zinc/69/98/39/487699839.db2.gz ZHRLNMPZKMCIFF-HTQZYQBOSA-N 2 2 208.252 0.474 20 0 BCADLP CC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000088091282 487701983 /nfs/dbraw/zinc/70/19/83/487701983.db2.gz SLONXNPVFCONBZ-VXGBXAGGSA-N 2 2 210.321 0.992 20 0 BCADLP CC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000088091282 487701989 /nfs/dbraw/zinc/70/19/89/487701989.db2.gz SLONXNPVFCONBZ-VXGBXAGGSA-N 2 2 210.321 0.992 20 0 BCADLP CC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000088091282 487701995 /nfs/dbraw/zinc/70/19/95/487701995.db2.gz SLONXNPVFCONBZ-VXGBXAGGSA-N 2 2 210.321 0.992 20 0 BCADLP CC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000088091282 487701999 /nfs/dbraw/zinc/70/19/99/487701999.db2.gz SLONXNPVFCONBZ-VXGBXAGGSA-N 2 2 210.321 0.992 20 0 BCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC2(C)C)[C@@H](C[NH3+])C1 ZINC000669403668 487708868 /nfs/dbraw/zinc/70/88/68/487708868.db2.gz YUWVEBPWCUKELA-VHSXEESVSA-N 2 2 240.351 0.069 20 0 BCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC2(C)C)[C@@H](C[NH3+])C1 ZINC000669403668 487708872 /nfs/dbraw/zinc/70/88/72/487708872.db2.gz YUWVEBPWCUKELA-VHSXEESVSA-N 2 2 240.351 0.069 20 0 BCADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCCNC(=O)C1 ZINC000082667505 487713947 /nfs/dbraw/zinc/71/39/47/487713947.db2.gz VEWPWUSOFOBXPM-JTQLQIEISA-N 2 2 227.352 0.585 20 0 BCADLP O=C1C[C@@H]([NH2+]CC[NH+]2CCCC2)CCCN1 ZINC000082667593 487716208 /nfs/dbraw/zinc/71/62/08/487716208.db2.gz FMNDVBURTASMRC-NSHDSACASA-N 2 2 225.336 0.341 20 0 BCADLP C[C@@H](CNc1nc[nH+]c2c1OCCN2)[NH+](C)C ZINC000665695086 487733347 /nfs/dbraw/zinc/73/33/47/487733347.db2.gz PSCGJRAVYYPJLH-QMMMGPOBSA-N 2 2 237.307 0.643 20 0 BCADLP CCOCCC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000250565802 487733379 /nfs/dbraw/zinc/73/33/79/487733379.db2.gz VBOPOURMUHDCMR-WDEREUQCSA-N 2 2 216.325 0.461 20 0 BCADLP CCOCCC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000250565802 487733384 /nfs/dbraw/zinc/73/33/84/487733384.db2.gz VBOPOURMUHDCMR-WDEREUQCSA-N 2 2 216.325 0.461 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@]12C[C@@H]1CCC2 ZINC000662847838 487734123 /nfs/dbraw/zinc/73/41/23/487734123.db2.gz NDXVVZBPILZGNX-NHCYSSNCSA-N 2 2 225.336 0.324 20 0 BCADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC000088572163 487734733 /nfs/dbraw/zinc/73/47/33/487734733.db2.gz IWKDLXMLXUOUFV-LLVKDONJSA-N 2 2 237.351 0.635 20 0 BCADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC000088572163 487734738 /nfs/dbraw/zinc/73/47/38/487734738.db2.gz IWKDLXMLXUOUFV-LLVKDONJSA-N 2 2 237.351 0.635 20 0 BCADLP C[C@@H]1CC[C@@H](O)C[N@@H+]1CCn1cc[nH+]c1 ZINC000399343008 487744302 /nfs/dbraw/zinc/74/43/02/487744302.db2.gz UONBAPMFGZGPKE-GHMZBOCLSA-N 2 2 209.293 0.728 20 0 BCADLP C[C@@H]1CC[C@@H](O)C[N@H+]1CCn1cc[nH+]c1 ZINC000399343008 487744308 /nfs/dbraw/zinc/74/43/08/487744308.db2.gz UONBAPMFGZGPKE-GHMZBOCLSA-N 2 2 209.293 0.728 20 0 BCADLP CC[C@H](C)C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000054472521 487764242 /nfs/dbraw/zinc/76/42/42/487764242.db2.gz SKTHMWVJCJKCMF-NSHDSACASA-N 2 2 227.352 0.396 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251554228 487768393 /nfs/dbraw/zinc/76/83/93/487768393.db2.gz BGCHTDGFVWDEPS-NXEZZACHSA-N 2 2 213.325 0.182 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251554228 487768398 /nfs/dbraw/zinc/76/83/98/487768398.db2.gz BGCHTDGFVWDEPS-NXEZZACHSA-N 2 2 213.325 0.182 20 0 BCADLP CC[N@H+](C)CCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000675720716 487769340 /nfs/dbraw/zinc/76/93/40/487769340.db2.gz IWIBACNGGQFBBD-UHFFFAOYSA-N 2 2 238.339 0.610 20 0 BCADLP CC[N@@H+](C)CCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000675720716 487769343 /nfs/dbraw/zinc/76/93/43/487769343.db2.gz IWIBACNGGQFBBD-UHFFFAOYSA-N 2 2 238.339 0.610 20 0 BCADLP CC[C@@H]1C[N@H+](Cc2cn(C)nn2)CC[C@H]1[NH3+] ZINC000300215108 487772274 /nfs/dbraw/zinc/77/22/74/487772274.db2.gz KFQNOAKUSIDPPP-MWLCHTKSSA-N 2 2 223.324 0.374 20 0 BCADLP CC[C@@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@H]1[NH3+] ZINC000300215108 487772277 /nfs/dbraw/zinc/77/22/77/487772277.db2.gz KFQNOAKUSIDPPP-MWLCHTKSSA-N 2 2 223.324 0.374 20 0 BCADLP C[NH2+]C[C@@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000662964445 487772577 /nfs/dbraw/zinc/77/25/77/487772577.db2.gz BGYJQNGOWPMLKM-SECBINFHSA-N 2 2 232.287 0.672 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000675783910 487778844 /nfs/dbraw/zinc/77/88/44/487778844.db2.gz CZAWTVJHTJWODL-WDEREUQCSA-N 2 2 235.335 0.493 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000675783910 487778847 /nfs/dbraw/zinc/77/88/47/487778847.db2.gz CZAWTVJHTJWODL-WDEREUQCSA-N 2 2 235.335 0.493 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCOCC1 ZINC000309213618 487780040 /nfs/dbraw/zinc/78/00/40/487780040.db2.gz FATLLGZKJMSOOA-LBPRGKRZSA-N 2 2 230.352 0.410 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCOCC1 ZINC000309213618 487780043 /nfs/dbraw/zinc/78/00/43/487780043.db2.gz FATLLGZKJMSOOA-LBPRGKRZSA-N 2 2 230.352 0.410 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCOCC1 ZINC000309213618 487780044 /nfs/dbraw/zinc/78/00/44/487780044.db2.gz FATLLGZKJMSOOA-LBPRGKRZSA-N 2 2 230.352 0.410 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCOCC1 ZINC000309213618 487780046 /nfs/dbraw/zinc/78/00/46/487780046.db2.gz FATLLGZKJMSOOA-LBPRGKRZSA-N 2 2 230.352 0.410 20 0 BCADLP O=C1NCCC[C@@H]1[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000675958846 487796523 /nfs/dbraw/zinc/79/65/23/487796523.db2.gz CMPNUPKDGDBPDA-NEPJUHHUSA-N 2 2 248.330 0.799 20 0 BCADLP O=C1NCCC[C@@H]1[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000675958846 487796529 /nfs/dbraw/zinc/79/65/29/487796529.db2.gz CMPNUPKDGDBPDA-NEPJUHHUSA-N 2 2 248.330 0.799 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251880644 487804971 /nfs/dbraw/zinc/80/49/71/487804971.db2.gz VEAFSSJROXGEDX-QJPTWQEYSA-N 2 2 241.379 0.960 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251880644 487804974 /nfs/dbraw/zinc/80/49/74/487804974.db2.gz VEAFSSJROXGEDX-QJPTWQEYSA-N 2 2 241.379 0.960 20 0 BCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000558645687 487810692 /nfs/dbraw/zinc/81/06/92/487810692.db2.gz IDRYXSWZKGKLCX-LBPRGKRZSA-N 2 2 248.330 0.580 20 0 BCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CCCC[NH2+]1 ZINC000044491914 487820248 /nfs/dbraw/zinc/82/02/48/487820248.db2.gz LVNWZLZJPVHENM-LLVKDONJSA-N 2 2 236.319 0.532 20 0 BCADLP CC(C)CN1CC[N@H+](CCC[NH3+])[C@H](C)C1=O ZINC000414750136 487822098 /nfs/dbraw/zinc/82/20/98/487822098.db2.gz ZMNYXAXHXFUKGV-LLVKDONJSA-N 2 2 227.352 0.524 20 0 BCADLP CC(C)CN1CC[N@@H+](CCC[NH3+])[C@H](C)C1=O ZINC000414750136 487822103 /nfs/dbraw/zinc/82/21/03/487822103.db2.gz ZMNYXAXHXFUKGV-LLVKDONJSA-N 2 2 227.352 0.524 20 0 BCADLP C[NH+](C)C1CC[NH+](CC[S@@](C)=O)CC1 ZINC000798193619 586139523 /nfs/dbraw/zinc/13/95/23/586139523.db2.gz MSFCGPHCUPTDCO-CQSZACIVSA-N 2 2 218.366 0.391 20 0 BCADLP C[C@H]1C[NH2+]C[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC000401796009 487832309 /nfs/dbraw/zinc/83/23/09/487832309.db2.gz JOACNTMRZSNAFE-KOLCDFICSA-N 2 2 225.336 0.100 20 0 BCADLP C[N@H+](CC[S@](C)=O)C[C@H]1CCC[NH+](C)C1 ZINC000827878464 587407273 /nfs/dbraw/zinc/40/72/73/587407273.db2.gz WUXYTDZKRBGIKC-NHYWBVRUSA-N 2 2 232.393 0.639 20 0 BCADLP C[N@@H+](CC[S@](C)=O)C[C@H]1CCC[NH+](C)C1 ZINC000827878464 587407275 /nfs/dbraw/zinc/40/72/75/587407275.db2.gz WUXYTDZKRBGIKC-NHYWBVRUSA-N 2 2 232.393 0.639 20 0 BCADLP C[NH+](CC[S@](C)=O)C[C@H]1CCC[N@H+](C)C1 ZINC000827878464 587407276 /nfs/dbraw/zinc/40/72/76/587407276.db2.gz WUXYTDZKRBGIKC-NHYWBVRUSA-N 2 2 232.393 0.639 20 0 BCADLP C[NH+](CC[S@](C)=O)C[C@H]1CCC[N@@H+](C)C1 ZINC000827878464 587407278 /nfs/dbraw/zinc/40/72/78/587407278.db2.gz WUXYTDZKRBGIKC-NHYWBVRUSA-N 2 2 232.393 0.639 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC000401796008 487832764 /nfs/dbraw/zinc/83/27/64/487832764.db2.gz JOACNTMRZSNAFE-GXSJLCMTSA-N 2 2 225.336 0.100 20 0 BCADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H]2COC[C@H]2O)C1 ZINC000463096057 528185349 /nfs/dbraw/zinc/18/53/49/528185349.db2.gz GGPJAFCQFYPXSX-JHJVBQTASA-N 2 2 242.363 0.410 20 0 BCADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H]2COC[C@H]2O)C1 ZINC000463096057 528185353 /nfs/dbraw/zinc/18/53/53/528185353.db2.gz GGPJAFCQFYPXSX-JHJVBQTASA-N 2 2 242.363 0.410 20 0 BCADLP C[N@H+](CCOC(C)(C)C)C[C@H]1C[NH2+]CCO1 ZINC000164504408 487841456 /nfs/dbraw/zinc/84/14/56/487841456.db2.gz KJKNDPVXDUGIFX-LLVKDONJSA-N 2 2 230.352 0.722 20 0 BCADLP C[N@@H+](CCOC(C)(C)C)C[C@H]1C[NH2+]CCO1 ZINC000164504408 487841460 /nfs/dbraw/zinc/84/14/60/487841460.db2.gz KJKNDPVXDUGIFX-LLVKDONJSA-N 2 2 230.352 0.722 20 0 BCADLP COC(=O)NC1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000852762075 588701035 /nfs/dbraw/zinc/70/10/35/588701035.db2.gz XPZPPIYUYCGZOZ-MRVPVSSYSA-N 2 2 215.297 0.154 20 0 BCADLP O[C@@H](C[NH2+]C/C=C\Cl)C[NH+]1CCCC1 ZINC000905709008 637892174 /nfs/dbraw/zinc/89/21/74/637892174.db2.gz UVMHLEQJLJIKMI-XOULXFPDSA-N 2 2 218.728 0.785 20 0 BCADLP C[C@@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)C[C@H](C)S1 ZINC000226682833 487857628 /nfs/dbraw/zinc/85/76/28/487857628.db2.gz GXPMSKBXEJMHPY-OUAUKWLOSA-N 2 2 230.377 0.801 20 0 BCADLP COC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373093868 487859293 /nfs/dbraw/zinc/85/92/93/487859293.db2.gz CEUCTVYFWGXISR-SNVBAGLBSA-N 2 2 237.303 0.773 20 0 BCADLP COC(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373093868 487859297 /nfs/dbraw/zinc/85/92/97/487859297.db2.gz CEUCTVYFWGXISR-SNVBAGLBSA-N 2 2 237.303 0.773 20 0 BCADLP CN(C)c1cc(NC(=O)Cn2cc[nH+]c2)cc[nH+]1 ZINC000564643586 322958257 /nfs/dbraw/zinc/95/82/57/322958257.db2.gz OGTLUCXHXHJJIS-UHFFFAOYSA-N 2 2 245.286 0.983 20 0 BCADLP COC[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000234711237 487866317 /nfs/dbraw/zinc/86/63/17/487866317.db2.gz ZXDHFJKFZGNLHZ-NEPJUHHUSA-N 2 2 228.336 0.333 20 0 BCADLP COC[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000234711237 487866322 /nfs/dbraw/zinc/86/63/22/487866322.db2.gz ZXDHFJKFZGNLHZ-NEPJUHHUSA-N 2 2 228.336 0.333 20 0 BCADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC000309338230 487867290 /nfs/dbraw/zinc/86/72/90/487867290.db2.gz JNOXUPZIMPJWDL-VXGBXAGGSA-N 2 2 230.352 0.314 20 0 BCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC000309338230 487867296 /nfs/dbraw/zinc/86/72/96/487867296.db2.gz JNOXUPZIMPJWDL-VXGBXAGGSA-N 2 2 230.352 0.314 20 0 BCADLP C[N@@H+]1C[C@H]2CCN(Cc3c[nH+]c4n3CCC4)[C@@H]2C1 ZINC000668186517 487868698 /nfs/dbraw/zinc/86/86/98/487868698.db2.gz KWEIDMPLJANZMY-DGCLKSJQSA-N 2 2 246.358 0.965 20 0 BCADLP C[N@H+]1C[C@H]2CCN(Cc3c[nH+]c4n3CCC4)[C@@H]2C1 ZINC000668186517 487868701 /nfs/dbraw/zinc/86/87/01/487868701.db2.gz KWEIDMPLJANZMY-DGCLKSJQSA-N 2 2 246.358 0.965 20 0 BCADLP CCc1nn(C)cc1C[NH2+][C@@H](C[NH3+])C1CC1 ZINC000666746323 487870517 /nfs/dbraw/zinc/87/05/17/487870517.db2.gz LGXMPTSNQUOCAW-LBPRGKRZSA-N 2 2 222.336 0.809 20 0 BCADLP COC[C@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)C1CC1 ZINC000397247957 322976200 /nfs/dbraw/zinc/97/62/00/322976200.db2.gz BPQPJTZOVBDOKI-DRZSPHRISA-N 2 2 242.363 0.768 20 0 BCADLP O[C@@H]1C[C@H](O)C[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000682029328 487884183 /nfs/dbraw/zinc/88/41/83/487884183.db2.gz QHPVKJDGJVXNOS-BETUJISGSA-N 2 2 242.363 0.290 20 0 BCADLP O[C@@H]1C[C@H](O)C[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000682029328 487884188 /nfs/dbraw/zinc/88/41/88/487884188.db2.gz QHPVKJDGJVXNOS-BETUJISGSA-N 2 2 242.363 0.290 20 0 BCADLP CN(Cc1[nH+]ccn1C)CC1C[NH+](C)C1 ZINC000668539769 487905283 /nfs/dbraw/zinc/90/52/83/487905283.db2.gz LIAMOUDZQVKMLZ-UHFFFAOYSA-N 2 2 208.309 0.414 20 0 BCADLP C[N@@H+](CC1=CCCOC1)CC1C[NH+](C)C1 ZINC000668539671 487905602 /nfs/dbraw/zinc/90/56/02/487905602.db2.gz HUUZNGRBSAJTQT-UHFFFAOYSA-N 2 2 210.321 0.827 20 0 BCADLP C[N@H+](CC1=CCCOC1)CC1C[NH+](C)C1 ZINC000668539671 487905605 /nfs/dbraw/zinc/90/56/05/487905605.db2.gz HUUZNGRBSAJTQT-UHFFFAOYSA-N 2 2 210.321 0.827 20 0 BCADLP CCn1cc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cn1 ZINC000666945387 487910016 /nfs/dbraw/zinc/91/00/16/487910016.db2.gz NEFGKNRISQWSJS-QWRGUYRKSA-N 2 2 226.299 0.693 20 0 BCADLP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946487 487911414 /nfs/dbraw/zinc/91/14/14/487911414.db2.gz FJXSZOFUXOPLTK-AATLWQCWSA-N 2 2 202.273 0.453 20 0 BCADLP C[C@H]1C[C@@H](C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CC[NH2+]1 ZINC000666947579 487911456 /nfs/dbraw/zinc/91/14/56/487911456.db2.gz BOWPRVCGHILERM-BJDJZHNGSA-N 3 2 229.343 0.664 20 0 BCADLP CCC[C@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000668541216 487911236 /nfs/dbraw/zinc/91/12/36/487911236.db2.gz JCUGXDTVGDOYOT-QWRGUYRKSA-N 2 2 242.367 0.459 20 0 BCADLP CCC[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000668541216 487911240 /nfs/dbraw/zinc/91/12/40/487911240.db2.gz JCUGXDTVGDOYOT-QWRGUYRKSA-N 2 2 242.367 0.459 20 0 BCADLP [NH3+]C[C@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000652335356 487923463 /nfs/dbraw/zinc/92/34/63/487923463.db2.gz BVVMWHXYDBQJNA-SNVBAGLBSA-N 2 2 220.320 0.610 20 0 BCADLP [NH3+]C[C@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000652335356 487923465 /nfs/dbraw/zinc/92/34/65/487923465.db2.gz BVVMWHXYDBQJNA-SNVBAGLBSA-N 2 2 220.320 0.610 20 0 BCADLP Cn1c[nH+]cc1Cn1cc(C[NH2+]C2CC2)nn1 ZINC000090297636 487928979 /nfs/dbraw/zinc/92/89/79/487928979.db2.gz POPUYKKFDBFYPT-UHFFFAOYSA-N 2 2 232.291 0.312 20 0 BCADLP c1cn(CCCn2cc(C[NH2+]C3CC3)nn2)c[nH+]1 ZINC000090297554 487928632 /nfs/dbraw/zinc/92/86/32/487928632.db2.gz WJJMTKVYBKUTHQ-UHFFFAOYSA-N 2 2 246.318 0.817 20 0 BCADLP [NH3+]CC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652364130 487933339 /nfs/dbraw/zinc/93/33/39/487933339.db2.gz ZBIBWFNUHDGDTP-IJLUTSLNSA-N 2 2 227.352 0.306 20 0 BCADLP [NH3+]CC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652364130 487933342 /nfs/dbraw/zinc/93/33/42/487933342.db2.gz ZBIBWFNUHDGDTP-IJLUTSLNSA-N 2 2 227.352 0.306 20 0 BCADLP C[C@@](O)(CO)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000684536520 487937305 /nfs/dbraw/zinc/93/73/05/487937305.db2.gz IWBHFDKRZBDPQT-LBPRGKRZSA-N 2 2 235.287 0.167 20 0 BCADLP [NH3+]CCCNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000564945559 322976629 /nfs/dbraw/zinc/97/66/29/322976629.db2.gz BAXGLAXVLWPKQG-SNVBAGLBSA-N 2 2 243.257 0.430 20 0 BCADLP C[NH+](C)C1CC([NH2+]C2CCS(=O)(=O)CC2)C1 ZINC000569623526 322999333 /nfs/dbraw/zinc/99/93/33/322999333.db2.gz OHFWTRGHSAMUQX-UHFFFAOYSA-N 2 2 246.376 0.246 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H](CO)CC(F)F)n1C ZINC000567628122 323033735 /nfs/dbraw/zinc/03/37/35/323033735.db2.gz KIOHFMRIYJJIGN-QMMMGPOBSA-N 2 2 233.262 0.834 20 0 BCADLP CSC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000572751630 323052743 /nfs/dbraw/zinc/05/27/43/323052743.db2.gz OEUQRNLQWLUXTC-YUSALJHKSA-N 2 2 244.404 0.783 20 0 BCADLP CSC[C@H](O)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000572751630 323052744 /nfs/dbraw/zinc/05/27/44/323052744.db2.gz OEUQRNLQWLUXTC-YUSALJHKSA-N 2 2 244.404 0.783 20 0 BCADLP CSCC[C@H](CO)[NH2+]Cc1c[nH+]c(C)n1C ZINC000570345406 323057064 /nfs/dbraw/zinc/05/70/64/323057064.db2.gz MELFMSISLHBQNU-SNVBAGLBSA-N 2 2 243.376 0.932 20 0 BCADLP COCCOCC[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000570815694 323071483 /nfs/dbraw/zinc/07/14/83/323071483.db2.gz DKNVZMVGQKQDIM-UHFFFAOYSA-N 2 2 242.363 0.853 20 0 BCADLP COCCOCC[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000570815694 323071484 /nfs/dbraw/zinc/07/14/84/323071484.db2.gz DKNVZMVGQKQDIM-UHFFFAOYSA-N 2 2 242.363 0.853 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(F)C1 ZINC000572659707 323072698 /nfs/dbraw/zinc/07/26/98/323072698.db2.gz NWSIMJGKJXQGCQ-MNOVXSKESA-N 2 2 218.316 0.733 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(F)C1 ZINC000572659707 323072699 /nfs/dbraw/zinc/07/26/99/323072699.db2.gz NWSIMJGKJXQGCQ-MNOVXSKESA-N 2 2 218.316 0.733 20 0 BCADLP C[N@@H+]1CC[C@H]([NH2+]CCC(N)=O)[C@@H]1c1ccccc1 ZINC000570920594 323074359 /nfs/dbraw/zinc/07/43/59/323074359.db2.gz QJFKPYWXMIAGJS-JSGCOSHPSA-N 2 2 247.342 0.897 20 0 BCADLP C[N@H+]1CC[C@H]([NH2+]CCC(N)=O)[C@@H]1c1ccccc1 ZINC000570920594 323074360 /nfs/dbraw/zinc/07/43/60/323074360.db2.gz QJFKPYWXMIAGJS-JSGCOSHPSA-N 2 2 247.342 0.897 20 0 BCADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]CCC(N)=O ZINC000518759142 323075656 /nfs/dbraw/zinc/07/56/56/323075656.db2.gz KUWIQXZNBKKPRC-JTQLQIEISA-N 2 2 213.325 0.326 20 0 BCADLP CC[N@H+]1CCCC[C@H]1C[NH2+]CCC(N)=O ZINC000518759142 323075657 /nfs/dbraw/zinc/07/56/57/323075657.db2.gz KUWIQXZNBKKPRC-JTQLQIEISA-N 2 2 213.325 0.326 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCOC[C@H]1CCCO1 ZINC000563154740 323095737 /nfs/dbraw/zinc/09/57/37/323095737.db2.gz VKIAIFGQQVCVQX-CHWSQXEVSA-N 2 2 242.363 0.866 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1CCOC[C@H]1CCCO1 ZINC000563154740 323095738 /nfs/dbraw/zinc/09/57/38/323095738.db2.gz VKIAIFGQQVCVQX-CHWSQXEVSA-N 2 2 242.363 0.866 20 0 BCADLP CCN(C)C(=O)CC[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000563153029 323095921 /nfs/dbraw/zinc/09/59/21/323095921.db2.gz JQBGFFXWGVWUSG-SNVBAGLBSA-N 2 2 213.325 0.149 20 0 BCADLP CCN(C)C(=O)CC[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000563153029 323095922 /nfs/dbraw/zinc/09/59/22/323095922.db2.gz JQBGFFXWGVWUSG-SNVBAGLBSA-N 2 2 213.325 0.149 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@@H+]1CCOC[C@@H]1CCCO1 ZINC000563153280 323095930 /nfs/dbraw/zinc/09/59/30/323095930.db2.gz HWNCIXWGGNXQQO-OLZOCXBDSA-N 2 2 242.363 0.995 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@H+]1CCOC[C@@H]1CCCO1 ZINC000563153280 323095931 /nfs/dbraw/zinc/09/59/31/323095931.db2.gz HWNCIXWGGNXQQO-OLZOCXBDSA-N 2 2 242.363 0.995 20 0 BCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1c[nH+]cn1C ZINC000570959632 323101588 /nfs/dbraw/zinc/10/15/88/323101588.db2.gz BATXOHVYGVYRHK-DTWKUNHWSA-N 2 2 239.323 0.345 20 0 BCADLP CC1(C)C[NH+](CC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000570982613 323102756 /nfs/dbraw/zinc/10/27/56/323102756.db2.gz GCDRBLQSVUUBOX-UHFFFAOYSA-N 2 2 248.330 0.567 20 0 BCADLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+]CCC(N)=O ZINC000571029027 323104011 /nfs/dbraw/zinc/10/40/11/323104011.db2.gz BFHJMNFYSFEBSS-ZDUSSCGKSA-N 2 2 249.358 0.624 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCn2nncc2C1 ZINC000565174283 323133601 /nfs/dbraw/zinc/13/36/01/323133601.db2.gz UKWGMVJHYYMWAD-UHFFFAOYSA-N 2 2 246.318 0.689 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+]1CCn2nncc2C1 ZINC000565174283 323133602 /nfs/dbraw/zinc/13/36/02/323133602.db2.gz UKWGMVJHYYMWAD-UHFFFAOYSA-N 2 2 246.318 0.689 20 0 BCADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@H]2CCOC2)CC1 ZINC000571460120 323145270 /nfs/dbraw/zinc/14/52/70/323145270.db2.gz LVQDFQJOLVJYAQ-LBPRGKRZSA-N 2 2 242.363 0.600 20 0 BCADLP C[NH2+]C1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000571521909 323146753 /nfs/dbraw/zinc/14/67/53/323146753.db2.gz BMRJYYPOBINCTK-CYBMUJFWSA-N 2 2 242.363 0.866 20 0 BCADLP Cn1cnnc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000534841124 323161251 /nfs/dbraw/zinc/16/12/51/323161251.db2.gz NKZRWZQZJDTUPP-JTQLQIEISA-N 2 2 246.318 0.918 20 0 BCADLP Cn1cnnc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000534841124 323161252 /nfs/dbraw/zinc/16/12/52/323161252.db2.gz NKZRWZQZJDTUPP-JTQLQIEISA-N 2 2 246.318 0.918 20 0 BCADLP Cn1cc(C[NH2+]CCC[NH+]2CCC2)cn1 ZINC000308883047 323180640 /nfs/dbraw/zinc/18/06/40/323180640.db2.gz RGFRMOUOAFVCSL-UHFFFAOYSA-N 2 2 208.309 0.606 20 0 BCADLP CCO[C@H]1C[C@]([NH3+])(c2nc(C[NH3+])no2)C1(C)C ZINC000563885600 323183306 /nfs/dbraw/zinc/18/33/06/323183306.db2.gz DLWAUWLSJODDSR-CPCISQLKSA-N 2 2 240.307 0.517 20 0 BCADLP CCO[C@@H]1C[C@@]([NH3+])(c2nc(C[NH3+])no2)C1(C)C ZINC000563885602 323183309 /nfs/dbraw/zinc/18/33/09/323183309.db2.gz DLWAUWLSJODDSR-RDDDGLTNSA-N 2 2 240.307 0.517 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000070618580 323205106 /nfs/dbraw/zinc/20/51/06/323205106.db2.gz NRXDAQMDOCNOGJ-LBPRGKRZSA-N 2 2 225.336 0.293 20 0 BCADLP C[C@@]1(C(=O)NCCn2cc[nH+]c2)CCC[NH2+]1 ZINC000070619102 323205144 /nfs/dbraw/zinc/20/51/44/323205144.db2.gz KICPVWOBDHCUST-NSHDSACASA-N 2 2 222.292 0.141 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530216872 323217178 /nfs/dbraw/zinc/21/71/78/323217178.db2.gz QSIBBZCXLBPGDW-TUAOUCFPSA-N 3 2 223.364 0.988 20 0 BCADLP [NH3+]CCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000572155424 323554022 /nfs/dbraw/zinc/55/40/22/323554022.db2.gz IPWSSFWVBKGOKW-UHFFFAOYSA-N 2 2 235.278 0.038 20 0 BCADLP C[C@@H](C(=O)N[C@H]1CCc2c[nH+]cn2C1)[NH+](C)C ZINC000672146697 487961341 /nfs/dbraw/zinc/96/13/41/487961341.db2.gz AWRSGFDDHWBGTJ-UWVGGRQHSA-N 2 2 236.319 0.264 20 0 BCADLP CCC(CC)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000514783632 324112666 /nfs/dbraw/zinc/11/26/66/324112666.db2.gz LNWXHDYMIUTAAF-LLVKDONJSA-N 2 2 242.367 0.459 20 0 BCADLP CCn1cc[nH+]c1CN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000572493852 324131167 /nfs/dbraw/zinc/13/11/67/324131167.db2.gz CHSYCHQPZZMGFN-QWRGUYRKSA-N 2 2 238.335 0.010 20 0 BCADLP CCn1ncc(C[NH2+][C@H](C)c2c[nH+]ccc2N)n1 ZINC000530210081 324526630 /nfs/dbraw/zinc/52/66/30/324526630.db2.gz LDVGARASWNFZCC-SECBINFHSA-N 2 2 246.318 0.956 20 0 BCADLP CCn1ncc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)n1 ZINC000530210082 324526640 /nfs/dbraw/zinc/52/66/40/324526640.db2.gz LDVGARASWNFZCC-VIFPVBQESA-N 2 2 246.318 0.956 20 0 BCADLP CCn1ncc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)n1 ZINC000530213476 324529058 /nfs/dbraw/zinc/52/90/58/324529058.db2.gz VSZWHTKXSOPKHT-ZYHUDNBSSA-N 2 2 237.351 0.776 20 0 BCADLP COCCCC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000158526233 487964099 /nfs/dbraw/zinc/96/40/99/487964099.db2.gz IAFBYRVDDYLENB-GHMZBOCLSA-N 2 2 216.325 0.461 20 0 BCADLP COCCCC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000158526233 487964106 /nfs/dbraw/zinc/96/41/06/487964106.db2.gz IAFBYRVDDYLENB-GHMZBOCLSA-N 2 2 216.325 0.461 20 0 BCADLP CC(C)([NH3+])CC(=O)NCCc1[nH]cc[nH+]1 ZINC000158544713 487964959 /nfs/dbraw/zinc/96/49/59/487964959.db2.gz LHVPLGYTTVPOTJ-UHFFFAOYSA-N 2 2 210.281 0.196 20 0 BCADLP [NH3+]C1(CC(=O)NCCc2[nH]cc[nH+]2)CCC1 ZINC000158549279 487965775 /nfs/dbraw/zinc/96/57/75/487965775.db2.gz AIJMDPRRDSOCIN-UHFFFAOYSA-N 2 2 222.292 0.340 20 0 BCADLP CC(=O)N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000077119319 325366073 /nfs/dbraw/zinc/36/60/73/325366073.db2.gz PPFOCPUXRSXIKP-UHFFFAOYSA-N 2 2 222.292 0.047 20 0 BCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH+](C)C ZINC000547603441 325373603 /nfs/dbraw/zinc/37/36/03/325373603.db2.gz FNYDFQZMFKUHAJ-UHFFFAOYSA-N 2 2 224.308 0.031 20 0 BCADLP Cc1cc(NC(=O)NCC[NH2+]C2CC2)cc[nH+]1 ZINC000667299076 487968157 /nfs/dbraw/zinc/96/81/57/487968157.db2.gz SIYIXBHLCLWKIJ-UHFFFAOYSA-N 2 2 234.303 0.685 20 0 BCADLP [NH3+]CC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000083928468 487968876 /nfs/dbraw/zinc/96/88/76/487968876.db2.gz ZFXUSCZWODATJU-UHFFFAOYSA-N 2 2 234.303 0.257 20 0 BCADLP C[C@@H](CC(=O)NCCC[NH3+])n1cc[nH+]c1 ZINC000565148840 325862814 /nfs/dbraw/zinc/86/28/14/325862814.db2.gz XCAHUNWWTROMSZ-VIFPVBQESA-N 2 2 210.281 0.299 20 0 BCADLP C[NH+](C)CCCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000565480370 325917091 /nfs/dbraw/zinc/91/70/91/325917091.db2.gz YOPUPMKVOHTBIR-SECBINFHSA-N 2 2 242.348 0.211 20 0 BCADLP COC(=O)[C@@H]1CC12CC[NH+](CC[NH3+])CC2 ZINC000566244826 326022794 /nfs/dbraw/zinc/02/27/94/326022794.db2.gz ABZYUPQOASXFAA-VIFPVBQESA-N 2 2 212.293 0.220 20 0 BCADLP C[N@H+](CC(=O)NCc1cccnc1)C1CC([NH3+])C1 ZINC000566304182 326031310 /nfs/dbraw/zinc/03/13/10/326031310.db2.gz SEWRYVAUTYICAW-UHFFFAOYSA-N 2 2 248.330 0.119 20 0 BCADLP C[N@@H+](CC(=O)NCc1cccnc1)C1CC([NH3+])C1 ZINC000566304182 326031312 /nfs/dbraw/zinc/03/13/12/326031312.db2.gz SEWRYVAUTYICAW-UHFFFAOYSA-N 2 2 248.330 0.119 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000566363171 326037553 /nfs/dbraw/zinc/03/75/53/326037553.db2.gz GPEHTKGWUBSUQH-SECBINFHSA-N 2 2 236.319 0.855 20 0 BCADLP C[N@H+]1CCC[C@@H]1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000566363171 326037554 /nfs/dbraw/zinc/03/75/54/326037554.db2.gz GPEHTKGWUBSUQH-SECBINFHSA-N 2 2 236.319 0.855 20 0 BCADLP C[C@@H]1C[N@H+](CCN2CC[C@H]([NH3+])C[C@@H]2C)CCO1 ZINC000566412294 326041156 /nfs/dbraw/zinc/04/11/56/326041156.db2.gz DWSPMIBWYDANHM-XQQFMLRXSA-N 2 2 241.379 0.519 20 0 BCADLP C[C@@H]1C[N@@H+](CCN2CC[C@H]([NH3+])C[C@@H]2C)CCO1 ZINC000566412294 326041157 /nfs/dbraw/zinc/04/11/57/326041157.db2.gz DWSPMIBWYDANHM-XQQFMLRXSA-N 2 2 241.379 0.519 20 0 BCADLP Cc1[nH]c(C(=O)NCC2CC[NH2+]CC2)c[nH+]1 ZINC000566560357 326064298 /nfs/dbraw/zinc/06/42/98/326064298.db2.gz OZELDCHODXFFBA-UHFFFAOYSA-N 2 2 222.292 0.448 20 0 BCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)C1CC1 ZINC000566771411 326081643 /nfs/dbraw/zinc/08/16/43/326081643.db2.gz NRBPUBAJXXSHNX-SNVBAGLBSA-N 2 2 236.319 0.482 20 0 BCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)C1CC1 ZINC000566771411 326081645 /nfs/dbraw/zinc/08/16/45/326081645.db2.gz NRBPUBAJXXSHNX-SNVBAGLBSA-N 2 2 236.319 0.482 20 0 BCADLP Nc1ccc(NC(=O)C[NH2+]C2CC2)c[nH+]1 ZINC000309528579 326157337 /nfs/dbraw/zinc/15/73/37/326157337.db2.gz CWSXTRPEXFGWNI-UHFFFAOYSA-N 2 2 206.249 0.354 20 0 BCADLP O=C(CCC1CC[NH2+]CC1)Nc1cc[nH+]cc1O ZINC000567802099 326259609 /nfs/dbraw/zinc/25/96/09/326259609.db2.gz XDVCMBPQFJRWEV-UHFFFAOYSA-N 2 2 249.314 0.927 20 0 BCADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000313248523 326260191 /nfs/dbraw/zinc/26/01/91/326260191.db2.gz BRKBAUUIBAZTFJ-QWRGUYRKSA-N 3 2 222.336 0.822 20 0 BCADLP C[N@H+]1CCN(C(=O)NCC2(C)CC2)[C@@H](C[NH3+])C1 ZINC000568058603 326301739 /nfs/dbraw/zinc/30/17/39/326301739.db2.gz LNIYOIIGKZCZQB-JTQLQIEISA-N 2 2 240.351 0.071 20 0 BCADLP CC[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000568149788 326313381 /nfs/dbraw/zinc/31/33/81/326313381.db2.gz ZOJRBPGUGHVTCR-NSHDSACASA-N 2 2 238.335 0.950 20 0 BCADLP Cc1c[nH+]ccc1CC[NH2+][C@]1(C(N)=O)CCOC1 ZINC000568170813 326319322 /nfs/dbraw/zinc/31/93/22/326319322.db2.gz UYPLXJRWSZUKJJ-CYBMUJFWSA-N 2 2 249.314 0.167 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H](C)C(=O)N(C)C)n1C ZINC000568269673 326338035 /nfs/dbraw/zinc/33/80/35/326338035.db2.gz SXIHCZDFPXBZGE-QMMMGPOBSA-N 2 2 224.308 0.295 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCC[S@](C)=O)n1C ZINC000568273043 326339115 /nfs/dbraw/zinc/33/91/15/326339115.db2.gz ICBWNXQXUMFMGT-HNNXBMFYSA-N 2 2 229.349 0.587 20 0 BCADLP C[C@@H]([NH3+])C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000568632117 326369305 /nfs/dbraw/zinc/36/93/05/326369305.db2.gz JAMXETXRCRENMV-SSDOTTSWSA-N 2 2 225.296 0.037 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+](C)Cc1nnnn1C ZINC000569136826 326392627 /nfs/dbraw/zinc/39/26/27/326392627.db2.gz XBKBVJDKEPMDCW-UHFFFAOYSA-N 2 2 249.322 0.008 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1nnnn1C ZINC000569136826 326392628 /nfs/dbraw/zinc/39/26/28/326392628.db2.gz XBKBVJDKEPMDCW-UHFFFAOYSA-N 2 2 249.322 0.008 20 0 BCADLP CC[N@@H+]1CCN(C(=O)[C@H](C)[NH+](C)C)C[C@@H]1C ZINC000677182278 487992659 /nfs/dbraw/zinc/99/26/59/487992659.db2.gz FJDYDJHWHXKYOC-QWRGUYRKSA-N 2 2 227.352 0.489 20 0 BCADLP CC[N@H+]1CCN(C(=O)[C@H](C)[NH+](C)C)C[C@@H]1C ZINC000677182278 487992663 /nfs/dbraw/zinc/99/26/63/487992663.db2.gz FJDYDJHWHXKYOC-QWRGUYRKSA-N 2 2 227.352 0.489 20 0 BCADLP CC[C@H]1CC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000672602840 487996919 /nfs/dbraw/zinc/99/69/19/487996919.db2.gz AELCEJLSFRMTQQ-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)n1C ZINC000667462661 488014890 /nfs/dbraw/zinc/01/48/90/488014890.db2.gz QALWYRDUSDNNMG-SNVBAGLBSA-N 2 2 236.319 0.426 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](C(N)=O)C2)n1C ZINC000667462661 488014892 /nfs/dbraw/zinc/01/48/92/488014892.db2.gz QALWYRDUSDNNMG-SNVBAGLBSA-N 2 2 236.319 0.426 20 0 BCADLP CC[C@@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000229963000 488015553 /nfs/dbraw/zinc/01/55/53/488015553.db2.gz QUDCZUCNPPJSGK-SNVBAGLBSA-N 2 2 226.324 0.347 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](O)C2)n1C ZINC000667473790 488017614 /nfs/dbraw/zinc/01/76/14/488017614.db2.gz VUHGMTZIEUMWSC-LLVKDONJSA-N 2 2 209.293 0.685 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](O)C2)n1C ZINC000667473790 488017617 /nfs/dbraw/zinc/01/76/17/488017617.db2.gz VUHGMTZIEUMWSC-LLVKDONJSA-N 2 2 209.293 0.685 20 0 BCADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccnn1C ZINC000049553967 488018697 /nfs/dbraw/zinc/01/86/97/488018697.db2.gz RBMXCXCILUSPKU-SNVBAGLBSA-N 2 2 210.325 0.850 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CCCC[C@H]2C(N)=O)n1C ZINC000667478970 488021066 /nfs/dbraw/zinc/02/10/66/488021066.db2.gz UXSUPWCWVXASRO-NSHDSACASA-N 2 2 236.319 0.568 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CCCC[C@H]2C(N)=O)n1C ZINC000667478970 488021068 /nfs/dbraw/zinc/02/10/68/488021068.db2.gz UXSUPWCWVXASRO-NSHDSACASA-N 2 2 236.319 0.568 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000147435031 488023344 /nfs/dbraw/zinc/02/33/44/488023344.db2.gz SQXZKZXRZBTSMG-GHMZBOCLSA-N 2 2 227.352 0.572 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000147435031 488023348 /nfs/dbraw/zinc/02/33/48/488023348.db2.gz SQXZKZXRZBTSMG-GHMZBOCLSA-N 2 2 227.352 0.572 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000147445575 488024330 /nfs/dbraw/zinc/02/43/30/488024330.db2.gz IJPKQJFANOKOGC-NEPJUHHUSA-N 2 2 241.379 0.962 20 0 BCADLP CCCCNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000147445575 488024335 /nfs/dbraw/zinc/02/43/35/488024335.db2.gz IJPKQJFANOKOGC-NEPJUHHUSA-N 2 2 241.379 0.962 20 0 BCADLP CCC[C@@H]([NH3+])c1cn(Cc2[nH+]ccn2C)nn1 ZINC000229972104 488027805 /nfs/dbraw/zinc/02/78/05/488027805.db2.gz QQBYJWBPRYUKLF-SECBINFHSA-N 2 2 234.307 0.860 20 0 BCADLP CCc1nn(C)cc1C[NH2+][C@@H](C)C[NH2+]C ZINC000227549023 488028527 /nfs/dbraw/zinc/02/85/27/488028527.db2.gz IWCOKGODGHPUMV-VIFPVBQESA-N 2 2 210.325 0.680 20 0 BCADLP C[C@H]([NH3+])CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000667532043 488039109 /nfs/dbraw/zinc/03/91/09/488039109.db2.gz DSIHHTWVMPCTFT-QMMMGPOBSA-N 2 2 233.275 0.803 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2CO)n1C ZINC000667552867 488042661 /nfs/dbraw/zinc/04/26/61/488042661.db2.gz XEAMDHVXTOBDSD-JTQLQIEISA-N 2 2 209.293 0.685 20 0 BCADLP [NH3+]C1(C[NH2+]C[C@]23C[C@H]2C[NH2+]C3)CCCC1 ZINC000663499886 488048381 /nfs/dbraw/zinc/04/83/81/488048381.db2.gz WUOJHSDUWOFQLK-WDEREUQCSA-N 3 2 209.337 0.457 20 0 BCADLP CNC(=O)CC[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000667592401 488054857 /nfs/dbraw/zinc/05/48/57/488054857.db2.gz SZCYBJJMAADLSA-UHFFFAOYSA-N 2 2 224.308 0.296 20 0 BCADLP CNC(=O)CC[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000667592401 488054861 /nfs/dbraw/zinc/05/48/61/488054861.db2.gz SZCYBJJMAADLSA-UHFFFAOYSA-N 2 2 224.308 0.296 20 0 BCADLP CCc1noc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000166213612 488060475 /nfs/dbraw/zinc/06/04/75/488060475.db2.gz LLERNUDTKLMGDS-BDAKNGLRSA-N 2 2 224.308 0.801 20 0 BCADLP CCc1noc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000166213612 488060478 /nfs/dbraw/zinc/06/04/78/488060478.db2.gz LLERNUDTKLMGDS-BDAKNGLRSA-N 2 2 224.308 0.801 20 0 BCADLP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)ncn1 ZINC000257683200 488080609 /nfs/dbraw/zinc/08/06/09/488080609.db2.gz LNUVWVAAMKIRNL-ZDUSSCGKSA-N 2 2 232.331 0.970 20 0 BCADLP Cc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)ncn1 ZINC000257683200 488080617 /nfs/dbraw/zinc/08/06/17/488080617.db2.gz LNUVWVAAMKIRNL-ZDUSSCGKSA-N 2 2 232.331 0.970 20 0 BCADLP Cn1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)nn1 ZINC000389822262 488114928 /nfs/dbraw/zinc/11/49/28/488114928.db2.gz GRPKGKSFAJNWBQ-BDAKNGLRSA-N 2 2 209.297 0.175 20 0 BCADLP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)nn1 ZINC000389822265 488115096 /nfs/dbraw/zinc/11/50/96/488115096.db2.gz GRPKGKSFAJNWBQ-RKDXNWHRSA-N 2 2 209.297 0.175 20 0 BCADLP Cn1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)nn1 ZINC000389837743 488116584 /nfs/dbraw/zinc/11/65/84/488116584.db2.gz READEZNOIYUBHC-RWMBFGLXSA-N 2 2 249.362 0.825 20 0 BCADLP CC[C@@H](C)CN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653089054 487539374 /nfs/dbraw/zinc/53/93/74/487539374.db2.gz WMFMGJUKKSSMRC-GHMZBOCLSA-N 2 2 229.368 0.770 20 0 BCADLP Nc1cc(C[N@@H+]2CCC[C@]23CCNC3=O)cc[nH+]1 ZINC000653716815 487540512 /nfs/dbraw/zinc/54/05/12/487540512.db2.gz QPJAJCWEPRLUKX-CYBMUJFWSA-N 2 2 246.314 0.518 20 0 BCADLP Nc1cc(C[N@H+]2CCC[C@]23CCNC3=O)cc[nH+]1 ZINC000653716815 487540516 /nfs/dbraw/zinc/54/05/16/487540516.db2.gz QPJAJCWEPRLUKX-CYBMUJFWSA-N 2 2 246.314 0.518 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C[NH3+])o1 ZINC000094565623 487540906 /nfs/dbraw/zinc/54/09/06/487540906.db2.gz XFOCMMWTABKTEP-VIFPVBQESA-N 2 2 248.286 0.753 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674266591 487541856 /nfs/dbraw/zinc/54/18/56/487541856.db2.gz SJOJSLFCPTWSLN-JTQLQIEISA-N 2 2 213.325 0.101 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccnn1C ZINC000168846269 487543322 /nfs/dbraw/zinc/54/33/22/487543322.db2.gz LOYDZAIQYIKBKW-ZJUUUORDSA-N 2 2 208.309 0.732 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccnn1C ZINC000168846269 487543315 /nfs/dbraw/zinc/54/33/15/487543315.db2.gz LOYDZAIQYIKBKW-ZJUUUORDSA-N 2 2 208.309 0.732 20 0 BCADLP CNC(=O)[C@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668243516 487544147 /nfs/dbraw/zinc/54/41/47/487544147.db2.gz BHOMVLSPLVQZDQ-JTQLQIEISA-N 2 2 248.330 0.397 20 0 BCADLP CNC(=O)[C@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668243516 487544156 /nfs/dbraw/zinc/54/41/56/487544156.db2.gz BHOMVLSPLVQZDQ-JTQLQIEISA-N 2 2 248.330 0.397 20 0 BCADLP COC[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000685566200 487548515 /nfs/dbraw/zinc/54/85/15/487548515.db2.gz WHNYGWSZTUMDDB-CHWSQXEVSA-N 2 2 242.363 0.552 20 0 BCADLP COC[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000685566200 487548519 /nfs/dbraw/zinc/54/85/19/487548519.db2.gz WHNYGWSZTUMDDB-CHWSQXEVSA-N 2 2 242.363 0.552 20 0 BCADLP COC[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000685566200 487548525 /nfs/dbraw/zinc/54/85/25/487548525.db2.gz WHNYGWSZTUMDDB-CHWSQXEVSA-N 2 2 242.363 0.552 20 0 BCADLP COC[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000685566200 487548528 /nfs/dbraw/zinc/54/85/28/487548528.db2.gz WHNYGWSZTUMDDB-CHWSQXEVSA-N 2 2 242.363 0.552 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CC[NH2+]C1 ZINC000382755723 487550422 /nfs/dbraw/zinc/55/04/22/487550422.db2.gz NFBRNKNJMGOHLK-GFCCVEGCSA-N 3 2 222.336 0.815 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CC[NH2+]C1 ZINC000382755723 487550429 /nfs/dbraw/zinc/55/04/29/487550429.db2.gz NFBRNKNJMGOHLK-GFCCVEGCSA-N 3 2 222.336 0.815 20 0 BCADLP O=C1NCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000658051877 487533300 /nfs/dbraw/zinc/53/33/00/487533300.db2.gz BRYHTUNMOBCVHN-LLVKDONJSA-N 2 2 223.320 0.091 20 0 BCADLP C[C@@H]1[C@H](O)CC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668225499 487483814 /nfs/dbraw/zinc/48/38/14/487483814.db2.gz OLTZCPCJGJZSKZ-MWLCHTKSSA-N 2 2 221.304 0.784 20 0 BCADLP C[C@@H]1[C@H](O)CC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668225499 487483818 /nfs/dbraw/zinc/48/38/18/487483818.db2.gz OLTZCPCJGJZSKZ-MWLCHTKSSA-N 2 2 221.304 0.784 20 0 BCADLP C[NH2+]C[C@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000086069711 487478531 /nfs/dbraw/zinc/47/85/31/487478531.db2.gz MHLATLCEMRPXMJ-QMMMGPOBSA-N 2 2 210.281 0.224 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000380770892 487486028 /nfs/dbraw/zinc/48/60/28/487486028.db2.gz YVPUVKOCUOECIL-GHMZBOCLSA-N 2 2 227.352 0.585 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)CC(=O)N1CCCC1 ZINC000679923545 487489747 /nfs/dbraw/zinc/48/97/47/487489747.db2.gz RTSUWCKQMSYKLG-UHFFFAOYSA-N 2 2 236.319 0.437 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)CC(=O)N1CCCC1 ZINC000679923545 487489751 /nfs/dbraw/zinc/48/97/51/487489751.db2.gz RTSUWCKQMSYKLG-UHFFFAOYSA-N 2 2 236.319 0.437 20 0 BCADLP CC(C)(C)CNC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000086206214 487490404 /nfs/dbraw/zinc/49/04/04/487490404.db2.gz GAQFPOSRBMLZBW-UHFFFAOYSA-N 2 2 227.352 0.572 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC000168564076 487521592 /nfs/dbraw/zinc/52/15/92/487521592.db2.gz YNGMLXKDZSCTJW-VHSXEESVSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC000168564076 487521596 /nfs/dbraw/zinc/52/15/96/487521596.db2.gz YNGMLXKDZSCTJW-VHSXEESVSA-N 2 2 208.309 0.589 20 0 BCADLP Nc1ccc(C[N@@H+]2CCC[NH2+]CC2)cn1 ZINC000161898211 487525358 /nfs/dbraw/zinc/52/53/58/487525358.db2.gz SDPUEHGQLBBOSW-UHFFFAOYSA-N 2 2 206.293 0.459 20 0 BCADLP Nc1ccc(C[N@H+]2CCC[NH2+]CC2)cn1 ZINC000161898211 487525368 /nfs/dbraw/zinc/52/53/68/487525368.db2.gz SDPUEHGQLBBOSW-UHFFFAOYSA-N 2 2 206.293 0.459 20 0 BCADLP C[N@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCC[NH+](C)C1 ZINC000259031274 488146741 /nfs/dbraw/zinc/14/67/41/488146741.db2.gz ZQWAMEQOZKOCPA-CHWSQXEVSA-N 3 2 225.380 0.870 20 0 BCADLP C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCC[NH+](C)C1 ZINC000259031274 488146745 /nfs/dbraw/zinc/14/67/45/488146745.db2.gz ZQWAMEQOZKOCPA-CHWSQXEVSA-N 3 2 225.380 0.870 20 0 BCADLP C[NH+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCC[N@H+](C)C1 ZINC000259031274 488146750 /nfs/dbraw/zinc/14/67/50/488146750.db2.gz ZQWAMEQOZKOCPA-CHWSQXEVSA-N 3 2 225.380 0.870 20 0 BCADLP C[NH+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000259031274 488146753 /nfs/dbraw/zinc/14/67/53/488146753.db2.gz ZQWAMEQOZKOCPA-CHWSQXEVSA-N 3 2 225.380 0.870 20 0 BCADLP CC(C)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653103862 487679444 /nfs/dbraw/zinc/67/94/44/487679444.db2.gz VMTFCEZOUQPQMN-NEPJUHHUSA-N 2 2 241.379 0.770 20 0 BCADLP Fc1cccn2cc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)nc12 ZINC000666939760 487908737 /nfs/dbraw/zinc/90/87/37/487908737.db2.gz LBSZMYCFZPPPSU-IAZYJMLFSA-N 2 2 246.289 0.781 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+][C@@H]1CCCN(C)C1=O ZINC000662275781 490046021 /nfs/dbraw/zinc/04/60/21/490046021.db2.gz DTXVAJLTCWJTSE-DDHJBXDOSA-N 2 2 239.363 0.583 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)[C@H](CC)CO1 ZINC000403884805 488141501 /nfs/dbraw/zinc/14/15/01/488141501.db2.gz VFCVCIUPWWGYET-JHJVBQTASA-N 2 2 242.363 0.864 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)[C@H](CC)CO1 ZINC000403884805 488141504 /nfs/dbraw/zinc/14/15/04/488141504.db2.gz VFCVCIUPWWGYET-JHJVBQTASA-N 2 2 242.363 0.864 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)Cn1cncn1 ZINC000657836240 488147226 /nfs/dbraw/zinc/14/72/26/488147226.db2.gz ZTWJYUXWVCQFRC-GHMZBOCLSA-N 2 2 234.307 0.541 20 0 BCADLP Cn1nccc1CC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000230745635 488150678 /nfs/dbraw/zinc/15/06/78/488150678.db2.gz RLVWABDMRDKEDY-JTQLQIEISA-N 2 2 208.309 0.386 20 0 BCADLP Cn1nccc1CC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000230745635 488150681 /nfs/dbraw/zinc/15/06/81/488150681.db2.gz RLVWABDMRDKEDY-JTQLQIEISA-N 2 2 208.309 0.386 20 0 BCADLP CCNC(=O)C[N@H+](C)CCn1cc[nH+]c1C ZINC000677980887 488167967 /nfs/dbraw/zinc/16/79/67/488167967.db2.gz MXHMLNZQSGKOCE-UHFFFAOYSA-N 2 2 224.308 0.259 20 0 BCADLP CCNC(=O)C[N@@H+](C)CCn1cc[nH+]c1C ZINC000677980887 488167971 /nfs/dbraw/zinc/16/79/71/488167971.db2.gz MXHMLNZQSGKOCE-UHFFFAOYSA-N 2 2 224.308 0.259 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)n1C ZINC000667959261 488168328 /nfs/dbraw/zinc/16/83/28/488168328.db2.gz JETNKVMXWSAYSZ-KOLCDFICSA-N 2 2 223.320 0.931 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)n1C ZINC000667959261 488168329 /nfs/dbraw/zinc/16/83/29/488168329.db2.gz JETNKVMXWSAYSZ-KOLCDFICSA-N 2 2 223.320 0.931 20 0 BCADLP CC(C)O[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000404627945 488172641 /nfs/dbraw/zinc/17/26/41/488172641.db2.gz FBXIQYLHFWPFGI-OLZOCXBDSA-N 2 2 242.363 0.864 20 0 BCADLP CC(C)O[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000404627945 488172645 /nfs/dbraw/zinc/17/26/45/488172645.db2.gz FBXIQYLHFWPFGI-OLZOCXBDSA-N 2 2 242.363 0.864 20 0 BCADLP CC(C)[NH2+]CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000037477208 488186813 /nfs/dbraw/zinc/18/68/13/488186813.db2.gz SJLQYWCSRHCOBS-JTQLQIEISA-N 2 2 224.308 0.386 20 0 BCADLP CC[N@H+](CC[C@@H]1CCC[NH+]1C)CC(=O)N(C)C ZINC000678073807 488191855 /nfs/dbraw/zinc/19/18/55/488191855.db2.gz HUBUWAZSTVWAOT-LBPRGKRZSA-N 2 2 241.379 0.881 20 0 BCADLP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)CC(=O)N(C)C ZINC000678073807 488191858 /nfs/dbraw/zinc/19/18/58/488191858.db2.gz HUBUWAZSTVWAOT-LBPRGKRZSA-N 2 2 241.379 0.881 20 0 BCADLP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)CC(=O)N(C)C ZINC000678073807 488191860 /nfs/dbraw/zinc/19/18/60/488191860.db2.gz HUBUWAZSTVWAOT-LBPRGKRZSA-N 2 2 241.379 0.881 20 0 BCADLP CC[NH+](CC[C@@H]1CCC[N@H+]1C)CC(=O)N(C)C ZINC000678073807 488191862 /nfs/dbraw/zinc/19/18/62/488191862.db2.gz HUBUWAZSTVWAOT-LBPRGKRZSA-N 2 2 241.379 0.881 20 0 BCADLP OC(C[NH+]1CC=CCC1)C[N@H+]1CC=CCC1 ZINC000683668978 488206436 /nfs/dbraw/zinc/20/64/36/488206436.db2.gz HCCRVONPHOQVPP-UHFFFAOYSA-N 2 2 222.332 0.871 20 0 BCADLP COc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)sn1 ZINC000399024956 488226854 /nfs/dbraw/zinc/22/68/54/488226854.db2.gz HBNMJMAHGZXGAW-DTORHVGOSA-N 2 2 239.344 0.803 20 0 BCADLP COc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)sn1 ZINC000399024956 488226858 /nfs/dbraw/zinc/22/68/58/488226858.db2.gz HBNMJMAHGZXGAW-DTORHVGOSA-N 2 2 239.344 0.803 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cn[nH]c2)C1 ZINC000678265127 488230479 /nfs/dbraw/zinc/23/04/79/488230479.db2.gz XWMDIBYKXIQOQR-JTQLQIEISA-N 2 2 208.309 0.793 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn[nH]c2)C1 ZINC000678265127 488230481 /nfs/dbraw/zinc/23/04/81/488230481.db2.gz XWMDIBYKXIQOQR-JTQLQIEISA-N 2 2 208.309 0.793 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672147610 488241051 /nfs/dbraw/zinc/24/10/51/488241051.db2.gz RGVWGTBDXHYONR-JTQLQIEISA-N 2 2 245.286 0.211 20 0 BCADLP C[C@@H](C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C)[NH+](C)C ZINC000678430460 488255869 /nfs/dbraw/zinc/25/58/69/488255869.db2.gz QPMSBYNXPYIDIV-AXFHLTTASA-N 2 2 227.352 0.488 20 0 BCADLP C[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C)[NH+](C)C ZINC000678430460 488255870 /nfs/dbraw/zinc/25/58/70/488255870.db2.gz QPMSBYNXPYIDIV-AXFHLTTASA-N 2 2 227.352 0.488 20 0 BCADLP CCCN(CC[NH+](C)C)C(=O)Cn1cc[nH+]c1 ZINC000673659914 488300995 /nfs/dbraw/zinc/30/09/95/488300995.db2.gz LVZBVVSRBSDZNB-UHFFFAOYSA-N 2 2 238.335 0.683 20 0 BCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC=CCC2)CC1 ZINC000679322086 490113567 /nfs/dbraw/zinc/11/35/67/490113567.db2.gz AFAYSLKQXYPSNI-UHFFFAOYSA-N 2 2 223.320 0.022 20 0 BCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC=CCC2)CC1 ZINC000679322086 490113574 /nfs/dbraw/zinc/11/35/74/490113574.db2.gz AFAYSLKQXYPSNI-UHFFFAOYSA-N 2 2 223.320 0.022 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1ccc(O)cc1 ZINC000068800103 490131551 /nfs/dbraw/zinc/13/15/51/490131551.db2.gz QZQALYSRDUCJGU-CYBMUJFWSA-N 2 2 249.358 0.728 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1ccc(O)cc1 ZINC000068800103 490131558 /nfs/dbraw/zinc/13/15/58/490131558.db2.gz QZQALYSRDUCJGU-CYBMUJFWSA-N 2 2 249.358 0.728 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000382215182 490137195 /nfs/dbraw/zinc/13/71/95/490137195.db2.gz LRPVSNHOSRURDR-JCIQBVFBSA-N 2 2 210.321 0.846 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000382215182 490137199 /nfs/dbraw/zinc/13/71/99/490137199.db2.gz LRPVSNHOSRURDR-JCIQBVFBSA-N 2 2 210.321 0.846 20 0 BCADLP CC(C)NC(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000129781257 490168794 /nfs/dbraw/zinc/16/87/94/490168794.db2.gz LJASLXNAIAERIA-WDEREUQCSA-N 2 2 227.352 0.583 20 0 BCADLP CC(C)NC(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000129781257 490168800 /nfs/dbraw/zinc/16/88/00/490168800.db2.gz LJASLXNAIAERIA-WDEREUQCSA-N 2 2 227.352 0.583 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC[C@H]1CCCO1 ZINC000252952578 490268754 /nfs/dbraw/zinc/26/87/54/490268754.db2.gz FVLLKFXNBLTNAZ-FRRDWIJNSA-N 2 2 242.363 0.912 20 0 BCADLP O=C(CC1CC[NH2+]CC1)NCc1c[nH+]c[nH]1 ZINC000084081197 490365627 /nfs/dbraw/zinc/36/56/27/490365627.db2.gz XVRAKQJZQWPPSY-UHFFFAOYSA-N 2 2 222.292 0.416 20 0 BCADLP C[C@@H]1C[C@@H](CNc2ccc(CO)c[nH+]2)CC[NH2+]1 ZINC000415100747 491107539 /nfs/dbraw/zinc/10/75/39/491107539.db2.gz HFJJHPVTCAAUKZ-MNOVXSKESA-N 2 2 235.331 1.374 20 0 BCADLP CCn1cc[nH+]c1CN(C)CC1C[NH+](C)C1 ZINC000668539587 491127504 /nfs/dbraw/zinc/12/75/04/491127504.db2.gz DNELUHNKVDQDRM-UHFFFAOYSA-N 2 2 222.336 0.896 20 0 BCADLP CCCCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000843348652 582542635 /nfs/dbraw/zinc/54/26/35/582542635.db2.gz WDVKMBXXUQDOLH-GHMZBOCLSA-N 2 2 228.336 0.999 20 0 BCADLP CCCCOC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000843348652 582542637 /nfs/dbraw/zinc/54/26/37/582542637.db2.gz WDVKMBXXUQDOLH-GHMZBOCLSA-N 2 2 228.336 0.999 20 0 BCADLP COC(=O)N1CC([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000497070082 533933051 /nfs/dbraw/zinc/93/30/51/533933051.db2.gz FPFXKLUVGXSMLH-SCZZXKLOSA-N 2 2 227.308 0.167 20 0 BCADLP COC(=O)N1CC([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000496220107 533933712 /nfs/dbraw/zinc/93/37/12/533933712.db2.gz VNJLNGVAUFOXMB-PSASIEDQSA-N 2 2 227.308 0.025 20 0 BCADLP COC(=O)N1CC([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000496872711 533934186 /nfs/dbraw/zinc/93/41/86/533934186.db2.gz FPFXKLUVGXSMLH-PSASIEDQSA-N 2 2 227.308 0.167 20 0 BCADLP COC(=O)N1CC([NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000496234739 533935121 /nfs/dbraw/zinc/93/51/21/533935121.db2.gz QGSUGDKTKASDDY-QWRGUYRKSA-N 2 2 241.335 0.687 20 0 BCADLP C[C@@H]1CC[N@H+](CCNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492771453 534032305 /nfs/dbraw/zinc/03/23/05/534032305.db2.gz RULFSQJFMWERRM-KXMPLOMGSA-N 2 2 248.330 0.881 20 0 BCADLP C[C@@H]1CC[N@@H+](CCNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492771453 534032313 /nfs/dbraw/zinc/03/23/13/534032313.db2.gz RULFSQJFMWERRM-KXMPLOMGSA-N 2 2 248.330 0.881 20 0 BCADLP CCn1nccc1C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000164140167 535870344 /nfs/dbraw/zinc/87/03/44/535870344.db2.gz QDCJAFGCUCOLBV-LLVKDONJSA-N 2 2 222.336 0.944 20 0 BCADLP CCn1nccc1C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000164140167 535870347 /nfs/dbraw/zinc/87/03/47/535870347.db2.gz QDCJAFGCUCOLBV-LLVKDONJSA-N 2 2 222.336 0.944 20 0 BCADLP CCn1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000261553267 536057627 /nfs/dbraw/zinc/05/76/27/536057627.db2.gz NRTQMTHZXWGVQC-QWHCGFSZSA-N 2 2 234.347 0.944 20 0 BCADLP CCn1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000261553267 536057629 /nfs/dbraw/zinc/05/76/29/536057629.db2.gz NRTQMTHZXWGVQC-QWHCGFSZSA-N 2 2 234.347 0.944 20 0 BCADLP CC[NH2+][C@H](C)CNC(=O)NCc1c[nH+]cn1C ZINC000892099101 582790944 /nfs/dbraw/zinc/79/09/44/582790944.db2.gz BSDHHXFARKPFTL-SECBINFHSA-N 2 2 239.323 0.217 20 0 BCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000892200438 582807227 /nfs/dbraw/zinc/80/72/27/582807227.db2.gz QDLBHHCMRMKAHF-RKDXNWHRSA-N 2 2 239.323 0.677 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263003857 536374315 /nfs/dbraw/zinc/37/43/15/536374315.db2.gz OYRUYBLWUCNFNO-BDAKNGLRSA-N 2 2 247.289 0.194 20 0 BCADLP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263003857 536374316 /nfs/dbraw/zinc/37/43/16/536374316.db2.gz OYRUYBLWUCNFNO-BDAKNGLRSA-N 2 2 247.289 0.194 20 0 BCADLP CC(=O)NC1CCC([NH2+][C@@H](C)C[NH+](C)C)CC1 ZINC000348273729 534841925 /nfs/dbraw/zinc/84/19/25/534841925.db2.gz KZCJDUDKWUSHHH-PKSQDBQZSA-N 2 2 241.379 0.973 20 0 BCADLP CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400337164 527782038 /nfs/dbraw/zinc/78/20/38/527782038.db2.gz GIXBNAMZAOZCKH-GARJFASQSA-N 2 2 227.352 0.583 20 0 BCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493319816 529286118 /nfs/dbraw/zinc/28/61/18/529286118.db2.gz KUHPRGZHJLLECM-ITKZLYELSA-N 2 2 248.330 0.976 20 0 BCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493319816 529286119 /nfs/dbraw/zinc/28/61/19/529286119.db2.gz KUHPRGZHJLLECM-ITKZLYELSA-N 2 2 248.330 0.976 20 0 BCADLP CCCCCNC(=O)C1CC[NH+](CC[NH3+])CC1 ZINC000258816416 535046691 /nfs/dbraw/zinc/04/66/91/535046691.db2.gz UQVKNHPWMCFJHQ-UHFFFAOYSA-N 2 2 241.379 0.964 20 0 BCADLP CCCS(=O)(=O)CC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000261533062 535295695 /nfs/dbraw/zinc/29/56/95/535295695.db2.gz GMLDPEWGLZKLPQ-MNOVXSKESA-N 2 2 248.392 0.480 20 0 BCADLP CCCS(=O)(=O)CC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000261533062 535295697 /nfs/dbraw/zinc/29/56/97/535295697.db2.gz GMLDPEWGLZKLPQ-MNOVXSKESA-N 2 2 248.392 0.480 20 0 BCADLP CC[C@@H](C(=O)NCCc1[nH]cc[nH+]1)[NH+](C)C ZINC000178199355 535416308 /nfs/dbraw/zinc/41/63/08/535416308.db2.gz NUSFOQDUYSQYSR-VIFPVBQESA-N 2 2 224.308 0.409 20 0 BCADLP CCN1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)CC1=O ZINC000262120429 535517303 /nfs/dbraw/zinc/51/73/03/535517303.db2.gz XFXBWJMHISFWPU-CYBMUJFWSA-N 2 2 239.363 0.540 20 0 BCADLP CCN1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)CC1=O ZINC000262120429 535517308 /nfs/dbraw/zinc/51/73/08/535517308.db2.gz XFXBWJMHISFWPU-CYBMUJFWSA-N 2 2 239.363 0.540 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261568682 535626755 /nfs/dbraw/zinc/62/67/55/535626755.db2.gz FTABUSITRWJQPB-GARJFASQSA-N 2 2 226.320 0.479 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261568682 535626757 /nfs/dbraw/zinc/62/67/57/535626757.db2.gz FTABUSITRWJQPB-GARJFASQSA-N 2 2 226.320 0.479 20 0 BCADLP CCS(=O)(=O)CC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252697243 535630105 /nfs/dbraw/zinc/63/01/05/535630105.db2.gz GFMOFBXKLSBMHL-ZJUUUORDSA-N 2 2 234.365 0.090 20 0 BCADLP CCS(=O)(=O)CC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252697243 535630111 /nfs/dbraw/zinc/63/01/11/535630111.db2.gz GFMOFBXKLSBMHL-ZJUUUORDSA-N 2 2 234.365 0.090 20 0 BCADLP CCN1CC[N@H+](C[C@@H]2CCC[NH2+]C2)[C@H](C)C1=O ZINC000261986943 535710067 /nfs/dbraw/zinc/71/00/67/535710067.db2.gz RZEJLASCEXONBU-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP CCN1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H](C)C1=O ZINC000261986943 535710071 /nfs/dbraw/zinc/71/00/71/535710071.db2.gz RZEJLASCEXONBU-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000347783059 535945321 /nfs/dbraw/zinc/94/53/21/535945321.db2.gz MHIKGHYBZOJOIY-LBPRGKRZSA-N 3 2 236.363 0.846 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000347783059 535945323 /nfs/dbraw/zinc/94/53/23/535945323.db2.gz MHIKGHYBZOJOIY-LBPRGKRZSA-N 3 2 236.363 0.846 20 0 BCADLP CCn1c(C)nnc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351849064 535973770 /nfs/dbraw/zinc/97/37/70/535973770.db2.gz FJCNNUVLYZYJMR-KOLCDFICSA-N 2 2 237.351 0.776 20 0 BCADLP CCn1c(C)nnc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351849064 535973772 /nfs/dbraw/zinc/97/37/72/535973772.db2.gz FJCNNUVLYZYJMR-KOLCDFICSA-N 2 2 237.351 0.776 20 0 BCADLP CN(C(=O)C[N@H+](C)CC(C)(C)C[NH3+])C1CC1 ZINC000086638294 536166746 /nfs/dbraw/zinc/16/67/46/536166746.db2.gz HFVMNDPZKZQILX-UHFFFAOYSA-N 2 2 227.352 0.524 20 0 BCADLP CN(C(=O)C[N@@H+](C)CC(C)(C)C[NH3+])C1CC1 ZINC000086638294 536166748 /nfs/dbraw/zinc/16/67/48/536166748.db2.gz HFVMNDPZKZQILX-UHFFFAOYSA-N 2 2 227.352 0.524 20 0 BCADLP CN(CC[NH3+])C(=O)c1ccc2[nH+]ccn2c1 ZINC000335659210 536367302 /nfs/dbraw/zinc/36/73/02/536367302.db2.gz ZCIUAVHUNODFHT-UHFFFAOYSA-N 2 2 218.260 0.365 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccncc1 ZINC000225327595 536410826 /nfs/dbraw/zinc/41/08/26/536410826.db2.gz NBRIZCJVDWSMLK-ZDUSSCGKSA-N 2 2 234.347 0.417 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccncc1 ZINC000225327595 536410829 /nfs/dbraw/zinc/41/08/29/536410829.db2.gz NBRIZCJVDWSMLK-ZDUSSCGKSA-N 2 2 234.347 0.417 20 0 BCADLP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262991629 536476804 /nfs/dbraw/zinc/47/68/04/536476804.db2.gz NWEVABSYTRRWIG-BDAKNGLRSA-N 2 2 247.289 0.052 20 0 BCADLP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262991629 536476807 /nfs/dbraw/zinc/47/68/07/536476807.db2.gz NWEVABSYTRRWIG-BDAKNGLRSA-N 2 2 247.289 0.052 20 0 BCADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000323926733 566368113 /nfs/dbraw/zinc/36/81/13/566368113.db2.gz WQUJLSFJPBJFIN-LBPRGKRZSA-N 2 2 239.363 0.539 20 0 BCADLP O[C@@H](C[NH2+]CCCn1cc[nH+]c1)c1ccccn1 ZINC000853059973 588718086 /nfs/dbraw/zinc/71/80/86/588718086.db2.gz NSSCVARRJZOMSM-ZDUSSCGKSA-N 2 2 246.314 0.991 20 0 BCADLP O[C@H](C[NH2+]CCn1cc[nH+]c1)c1ccccn1 ZINC000853099277 588720069 /nfs/dbraw/zinc/72/00/69/588720069.db2.gz PSSIIOYTPHKRRD-GFCCVEGCSA-N 2 2 232.287 0.601 20 0 BCADLP O[C@@H](C[NH2+]CCn1cc[nH+]c1)c1ccccn1 ZINC000853099278 588720076 /nfs/dbraw/zinc/72/00/76/588720076.db2.gz PSSIIOYTPHKRRD-LBPRGKRZSA-N 2 2 232.287 0.601 20 0 BCADLP CC[NH+](CC)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000854178775 588778155 /nfs/dbraw/zinc/77/81/55/588778155.db2.gz SXXHOKGIFVFQFB-UHFFFAOYSA-N 2 2 238.335 0.800 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH+]1CCCC1 ZINC000854298640 588783198 /nfs/dbraw/zinc/78/31/98/588783198.db2.gz HNEIYYBQWGQPTL-UHFFFAOYSA-N 2 2 222.292 0.164 20 0 BCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000854605267 588796848 /nfs/dbraw/zinc/79/68/48/588796848.db2.gz JKLVTXAHKRSUHO-ZDUSSCGKSA-N 2 2 248.330 0.506 20 0 BCADLP C[N@H+]1CC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000854605267 588796849 /nfs/dbraw/zinc/79/68/49/588796849.db2.gz JKLVTXAHKRSUHO-ZDUSSCGKSA-N 2 2 248.330 0.506 20 0 BCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cc1[nH]cc[nH+]1 ZINC000854967829 588819150 /nfs/dbraw/zinc/81/91/50/588819150.db2.gz KXOQDWVTKYWSHM-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)Cc1[nH]cc[nH+]1 ZINC000854967829 588819151 /nfs/dbraw/zinc/81/91/51/588819151.db2.gz KXOQDWVTKYWSHM-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C1([NH+](C)C)CCC1 ZINC000855134744 588822761 /nfs/dbraw/zinc/82/27/61/588822761.db2.gz YTWNJEHJUCNXMS-UHFFFAOYSA-N 2 2 236.319 0.852 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C1([NH+](C)C)CCC1 ZINC000855134744 588822762 /nfs/dbraw/zinc/82/27/62/588822762.db2.gz YTWNJEHJUCNXMS-UHFFFAOYSA-N 2 2 236.319 0.852 20 0 BCADLP Cn1ncc(C[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000806165225 582498345 /nfs/dbraw/zinc/49/83/45/582498345.db2.gz DWAVOXLQDKNVSG-RWMBFGLXSA-N 2 2 249.362 0.778 20 0 BCADLP Cn1ncc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000806165225 582498347 /nfs/dbraw/zinc/49/83/47/582498347.db2.gz DWAVOXLQDKNVSG-RWMBFGLXSA-N 2 2 249.362 0.778 20 0 BCADLP COC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855417335 588832281 /nfs/dbraw/zinc/83/22/81/588832281.db2.gz YIYCWSUIERIIMM-UHFFFAOYSA-N 2 2 217.313 0.226 20 0 BCADLP COC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855417335 588832282 /nfs/dbraw/zinc/83/22/82/588832282.db2.gz YIYCWSUIERIIMM-UHFFFAOYSA-N 2 2 217.313 0.226 20 0 BCADLP CCCCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000843348653 582542445 /nfs/dbraw/zinc/54/24/45/582542445.db2.gz WDVKMBXXUQDOLH-MNOVXSKESA-N 2 2 228.336 0.999 20 0 BCADLP CCCCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000843348653 582542446 /nfs/dbraw/zinc/54/24/46/582542446.db2.gz WDVKMBXXUQDOLH-MNOVXSKESA-N 2 2 228.336 0.999 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCC[NH2+]C1CC1 ZINC000891988798 582753849 /nfs/dbraw/zinc/75/38/49/582753849.db2.gz KXEMFCOJIHJFBJ-UHFFFAOYSA-N 2 2 237.307 0.303 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000892005406 582759391 /nfs/dbraw/zinc/75/93/91/582759391.db2.gz OGZAUVZHNZCYNX-VIFPVBQESA-N 2 2 237.307 0.303 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)NCC1=CC[NH2+]CC1 ZINC000892066372 582783547 /nfs/dbraw/zinc/78/35/47/582783547.db2.gz GLPBTQPJLHSICL-UHFFFAOYSA-N 2 2 249.318 0.139 20 0 BCADLP CON(C)CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000850479849 582920365 /nfs/dbraw/zinc/92/03/65/582920365.db2.gz DHTIDHAYQYDINN-ZJUUUORDSA-N 2 2 201.314 0.019 20 0 BCADLP CON(C)CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000850479849 582920366 /nfs/dbraw/zinc/92/03/66/582920366.db2.gz DHTIDHAYQYDINN-ZJUUUORDSA-N 2 2 201.314 0.019 20 0 BCADLP CNc1cc(N2CC[C@H]([NH+]3CC=CC3)C2)nc[nH+]1 ZINC000892679686 582951991 /nfs/dbraw/zinc/95/19/91/582951991.db2.gz QCLGEEHSBFYHDI-NSHDSACASA-N 2 2 245.330 0.969 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccccn2)C1 ZINC000853109408 583028683 /nfs/dbraw/zinc/02/86/83/583028683.db2.gz ZXHFGZGIFWFMMF-YPMHNXCESA-N 2 2 235.331 0.799 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccccn2)C1 ZINC000853109408 583028685 /nfs/dbraw/zinc/02/86/85/583028685.db2.gz ZXHFGZGIFWFMMF-YPMHNXCESA-N 2 2 235.331 0.799 20 0 BCADLP CC(=O)OC[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000893318659 583099683 /nfs/dbraw/zinc/09/96/83/583099683.db2.gz CLJKYXKHPKZYLV-SNVBAGLBSA-N 2 2 214.309 0.623 20 0 BCADLP COCCOC[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000893354442 583120014 /nfs/dbraw/zinc/12/00/14/583120014.db2.gz KZETYDQZBYKMGW-STQMWFEESA-N 2 2 244.379 0.969 20 0 BCADLP COCCOC[C@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000893354442 583120015 /nfs/dbraw/zinc/12/00/15/583120015.db2.gz KZETYDQZBYKMGW-STQMWFEESA-N 2 2 244.379 0.969 20 0 BCADLP CC[N@@H+]1CCN(c2nc(N)cc(C)[nH+]2)[C@H](C)C1 ZINC000893829625 583227039 /nfs/dbraw/zinc/22/70/39/583227039.db2.gz PLIBTYLNOPJBBP-SNVBAGLBSA-N 2 2 235.335 0.898 20 0 BCADLP CC[N@H+]1CCN(c2nc(N)cc(C)[nH+]2)[C@H](C)C1 ZINC000893829625 583227041 /nfs/dbraw/zinc/22/70/41/583227041.db2.gz PLIBTYLNOPJBBP-SNVBAGLBSA-N 2 2 235.335 0.898 20 0 BCADLP CCn1ncc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000857084694 588886330 /nfs/dbraw/zinc/88/63/30/588886330.db2.gz XWOVINBMRGDXTD-GHMZBOCLSA-N 2 2 237.351 0.857 20 0 BCADLP CCn1ncc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000857084694 588886332 /nfs/dbraw/zinc/88/63/32/588886332.db2.gz XWOVINBMRGDXTD-GHMZBOCLSA-N 2 2 237.351 0.857 20 0 BCADLP CCn1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000857084415 588886337 /nfs/dbraw/zinc/88/63/37/588886337.db2.gz SBLMHZKKAGSMIT-CYZMBNFOSA-N 2 2 249.362 0.857 20 0 BCADLP CCn1ncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000857084415 588886339 /nfs/dbraw/zinc/88/63/39/588886339.db2.gz SBLMHZKKAGSMIT-CYZMBNFOSA-N 2 2 249.362 0.857 20 0 BCADLP Cc1ncoc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000894098391 583303306 /nfs/dbraw/zinc/30/33/06/583303306.db2.gz ZVRCPYPYZVQUMM-NXEZZACHSA-N 2 2 207.277 0.634 20 0 BCADLP C[N@@H+]1CC[C@H]2CN(Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC000877744726 583346023 /nfs/dbraw/zinc/34/60/23/583346023.db2.gz XGZCYTJFBXAWIL-WDEREUQCSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@H+]1CC[C@H]2CN(Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC000877744726 583346025 /nfs/dbraw/zinc/34/60/25/583346025.db2.gz XGZCYTJFBXAWIL-WDEREUQCSA-N 2 2 220.320 0.936 20 0 BCADLP C[C@@H]1CC[N@H+](CN2CCC2=O)C[C@H]1n1cc[nH+]c1 ZINC000857235234 588898961 /nfs/dbraw/zinc/89/89/61/588898961.db2.gz PQDVEMAFCJUPKK-VXGBXAGGSA-N 2 2 248.330 0.956 20 0 BCADLP C[C@@H]1CC[N@@H+](CN2CCC2=O)C[C@H]1n1cc[nH+]c1 ZINC000857235234 588898962 /nfs/dbraw/zinc/89/89/62/588898962.db2.gz PQDVEMAFCJUPKK-VXGBXAGGSA-N 2 2 248.330 0.956 20 0 BCADLP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1c[nH+]c[nH]1 ZINC000894399003 583448743 /nfs/dbraw/zinc/44/87/43/583448743.db2.gz BWUVFENJTRGFTH-LBPRGKRZSA-N 3 2 240.351 0.856 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@@H+](C)C[C@H](C)O ZINC000894450578 583463607 /nfs/dbraw/zinc/46/36/07/583463607.db2.gz LLDNGUBDHRSXKW-VIFPVBQESA-N 2 2 209.293 0.785 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@H+](C)C[C@H](C)O ZINC000894450578 583463609 /nfs/dbraw/zinc/46/36/09/583463609.db2.gz LLDNGUBDHRSXKW-VIFPVBQESA-N 2 2 209.293 0.785 20 0 BCADLP C[C@H](CCO)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000894674467 583504875 /nfs/dbraw/zinc/50/48/75/583504875.db2.gz XVBVMZJMJYFGGW-NEPJUHHUSA-N 2 2 230.352 0.194 20 0 BCADLP C[C@H](CCO)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000894674467 583504877 /nfs/dbraw/zinc/50/48/77/583504877.db2.gz XVBVMZJMJYFGGW-NEPJUHHUSA-N 2 2 230.352 0.194 20 0 BCADLP C[C@@H](CCO)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000894674468 583504977 /nfs/dbraw/zinc/50/49/77/583504977.db2.gz XVBVMZJMJYFGGW-NWDGAFQWSA-N 2 2 230.352 0.194 20 0 BCADLP C[C@@H](CCO)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000894674468 583504979 /nfs/dbraw/zinc/50/49/79/583504979.db2.gz XVBVMZJMJYFGGW-NWDGAFQWSA-N 2 2 230.352 0.194 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@@H+](C)[C@@H](C)CO ZINC000894770415 583517163 /nfs/dbraw/zinc/51/71/63/583517163.db2.gz MNCPEPRNKNOTMM-VIFPVBQESA-N 2 2 209.293 0.785 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@H+](C)[C@@H](C)CO ZINC000894770415 583517165 /nfs/dbraw/zinc/51/71/65/583517165.db2.gz MNCPEPRNKNOTMM-VIFPVBQESA-N 2 2 209.293 0.785 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2COCO2)n1C ZINC000894884221 583546232 /nfs/dbraw/zinc/54/62/32/583546232.db2.gz DYEBNSYMBITGCM-SNVBAGLBSA-N 2 2 211.265 0.191 20 0 BCADLP c1[nH+]c2n(c1C[NH2+]C[C@H]1COCO1)CCC2 ZINC000894888270 583547516 /nfs/dbraw/zinc/54/75/16/583547516.db2.gz JZYHZWCVDQNGQK-JTQLQIEISA-N 2 2 223.276 0.292 20 0 BCADLP O=C1[C@@H]([NH2+]Cc2c[nH+]c[nH]2)C[C@H]2CCCCN12 ZINC000894970074 583560363 /nfs/dbraw/zinc/56/03/63/583560363.db2.gz VFJBNSATEYJIDJ-MNOVXSKESA-N 2 2 234.303 0.653 20 0 BCADLP CO[C@H](C[NH2+]Cc1c[nH+]c[nH]1)[C@@H]1CCOC1 ZINC000895226291 583629148 /nfs/dbraw/zinc/62/91/48/583629148.db2.gz OKMZLOGNCNHYEN-MWLCHTKSSA-N 2 2 225.292 0.551 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CC(C)=NO2)n1C ZINC000895299866 583641786 /nfs/dbraw/zinc/64/17/86/583641786.db2.gz HLMQSWJCGOHMIE-LLVKDONJSA-N 2 2 222.292 0.983 20 0 BCADLP CCn1c[nH+]cc1C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000895320737 583649169 /nfs/dbraw/zinc/64/91/69/583649169.db2.gz JDQOGQZPBYUBQF-JTQLQIEISA-N 2 2 236.319 0.517 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C(=O)NCC2(C)C)CC[N@@H+]1C ZINC000895323096 583650059 /nfs/dbraw/zinc/65/00/59/583650059.db2.gz YJIYHSWAVOFPDF-GMTAPVOTSA-N 2 2 239.363 0.583 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C(=O)NCC2(C)C)CC[N@H+]1C ZINC000895323096 583650060 /nfs/dbraw/zinc/65/00/60/583650060.db2.gz YJIYHSWAVOFPDF-GMTAPVOTSA-N 2 2 239.363 0.583 20 0 BCADLP C[NH+](C)C1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCC1 ZINC000857885955 588921076 /nfs/dbraw/zinc/92/10/76/588921076.db2.gz QXAJPFHMBQGSJN-JTQLQIEISA-N 2 2 248.330 0.408 20 0 BCADLP OC[C@H](C[C@@H]1CCCO1)[NH2+]Cc1c[nH+]c[nH]1 ZINC000895746130 583716679 /nfs/dbraw/zinc/71/66/79/583716679.db2.gz CDLPCTJMESUERF-ONGXEEELSA-N 2 2 225.292 0.429 20 0 BCADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000896497192 583806596 /nfs/dbraw/zinc/80/65/96/583806596.db2.gz GQGUZADVUFIGNI-JTQLQIEISA-N 2 2 236.319 0.899 20 0 BCADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000896497192 583806597 /nfs/dbraw/zinc/80/65/97/583806597.db2.gz GQGUZADVUFIGNI-JTQLQIEISA-N 2 2 236.319 0.899 20 0 BCADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000896497192 583806599 /nfs/dbraw/zinc/80/65/99/583806599.db2.gz GQGUZADVUFIGNI-JTQLQIEISA-N 2 2 236.319 0.899 20 0 BCADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000896497192 583806600 /nfs/dbraw/zinc/80/66/00/583806600.db2.gz GQGUZADVUFIGNI-JTQLQIEISA-N 2 2 236.319 0.899 20 0 BCADLP Cn1cnnc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858093771 588932340 /nfs/dbraw/zinc/93/23/40/588932340.db2.gz GVGRDNUXEGMZNL-JTQLQIEISA-N 2 2 237.351 0.778 20 0 BCADLP Cn1cnnc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858093771 588932341 /nfs/dbraw/zinc/93/23/41/588932341.db2.gz GVGRDNUXEGMZNL-JTQLQIEISA-N 2 2 237.351 0.778 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+]C[C@@H]2CCCOC2)C1 ZINC000858298236 588942793 /nfs/dbraw/zinc/94/27/93/588942793.db2.gz OVTBRLPLPWPTMQ-NWDGAFQWSA-N 2 2 228.336 0.069 20 0 BCADLP O[C@@H]1CC[N@@H+](CC[NH2+]C[C@@H]2CCCOC2)C1 ZINC000858298236 588942794 /nfs/dbraw/zinc/94/27/94/588942794.db2.gz OVTBRLPLPWPTMQ-NWDGAFQWSA-N 2 2 228.336 0.069 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCOC[C@H]1O ZINC000872141010 583947762 /nfs/dbraw/zinc/94/77/62/583947762.db2.gz HZIUHZWKUSWMGO-OJAKKHQRSA-N 2 2 240.347 0.209 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCOC[C@H]1O ZINC000872141010 583947764 /nfs/dbraw/zinc/94/77/64/583947764.db2.gz HZIUHZWKUSWMGO-OJAKKHQRSA-N 2 2 240.347 0.209 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCOC[C@H]1O ZINC000872141012 583947833 /nfs/dbraw/zinc/94/78/33/583947833.db2.gz HZIUHZWKUSWMGO-ZBAXXZLZSA-N 2 2 240.347 0.209 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCOC[C@H]1O ZINC000872141012 583947834 /nfs/dbraw/zinc/94/78/34/583947834.db2.gz HZIUHZWKUSWMGO-ZBAXXZLZSA-N 2 2 240.347 0.209 20 0 BCADLP CCCCOC(=O)CC[N@H+](C)C[C@@H](C)[NH3+] ZINC000863569138 583992948 /nfs/dbraw/zinc/99/29/48/583992948.db2.gz SIOJISPIAGZNNW-SNVBAGLBSA-N 2 2 216.325 0.999 20 0 BCADLP CCCCOC(=O)CC[N@@H+](C)C[C@@H](C)[NH3+] ZINC000863569138 583992949 /nfs/dbraw/zinc/99/29/49/583992949.db2.gz SIOJISPIAGZNNW-SNVBAGLBSA-N 2 2 216.325 0.999 20 0 BCADLP C[C@@H]1C[C@@H]1NC(=[NH2+])NCCCn1cc[nH+]c1 ZINC000864453376 584005472 /nfs/dbraw/zinc/00/54/72/584005472.db2.gz ZAPVWHCCDHHFBT-ZJUUUORDSA-N 2 2 221.308 0.796 20 0 BCADLP C[C@H]1C[N@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@@H]1O ZINC000897678991 584037245 /nfs/dbraw/zinc/03/72/45/584037245.db2.gz GUBHOFFDHLLQHI-ONGXEEELSA-N 2 2 238.335 0.299 20 0 BCADLP C[C@H]1C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@@H]1O ZINC000897678991 584037247 /nfs/dbraw/zinc/03/72/47/584037247.db2.gz GUBHOFFDHLLQHI-ONGXEEELSA-N 2 2 238.335 0.299 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000897680837 584038308 /nfs/dbraw/zinc/03/83/08/584038308.db2.gz WVWAKOUMYUQMRQ-GXSJLCMTSA-N 2 2 221.304 0.785 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000897680837 584038309 /nfs/dbraw/zinc/03/83/09/584038309.db2.gz WVWAKOUMYUQMRQ-GXSJLCMTSA-N 2 2 221.304 0.785 20 0 BCADLP COc1nn(C)cc1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000898025043 584075765 /nfs/dbraw/zinc/07/57/65/584075765.db2.gz DBAMENYBXLJQDM-UHFFFAOYSA-N 2 2 249.318 0.760 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CC[C@H](O)C2CC2)C1 ZINC000898202939 584090555 /nfs/dbraw/zinc/09/05/55/584090555.db2.gz GAEXNIMUOFGKJB-OLZOCXBDSA-N 2 2 242.363 0.458 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+]CC[C@H](O)C2CC2)C1 ZINC000898202939 584090556 /nfs/dbraw/zinc/09/05/56/584090556.db2.gz GAEXNIMUOFGKJB-OLZOCXBDSA-N 2 2 242.363 0.458 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CC[C@@H](O)C2CC2)n1C ZINC000898199332 584099005 /nfs/dbraw/zinc/09/90/05/584099005.db2.gz LZZVBTIJSUAVNQ-GFCCVEGCSA-N 2 2 223.320 0.979 20 0 BCADLP C[NH+](C)CC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898901931 584165343 /nfs/dbraw/zinc/16/53/43/584165343.db2.gz IYMCCNBHKYYCTH-UHFFFAOYSA-N 2 2 224.308 0.296 20 0 BCADLP COCC[N@H+](C)CCNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899264804 584188705 /nfs/dbraw/zinc/18/87/05/584188705.db2.gz MCEBOGPQMKGTMB-JTQLQIEISA-N 2 2 242.367 0.477 20 0 BCADLP COCC[N@@H+](C)CCNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899264804 584188706 /nfs/dbraw/zinc/18/87/06/584188706.db2.gz MCEBOGPQMKGTMB-JTQLQIEISA-N 2 2 242.367 0.477 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000858602451 588968735 /nfs/dbraw/zinc/96/87/35/588968735.db2.gz ZTAQQDOEPXFVGM-XQQFMLRXSA-N 2 2 224.348 0.831 20 0 BCADLP O[C@H]1CC[N@@H+](CC[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000858602451 588968737 /nfs/dbraw/zinc/96/87/37/588968737.db2.gz ZTAQQDOEPXFVGM-XQQFMLRXSA-N 2 2 224.348 0.831 20 0 BCADLP C[NH+]1CCN(C(=O)CNc2cccc[nH+]2)CC1 ZINC000899905094 584251296 /nfs/dbraw/zinc/25/12/96/584251296.db2.gz QTZXJVFCWDQEDV-UHFFFAOYSA-N 2 2 234.303 0.268 20 0 BCADLP CON(C)C(=O)[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000858582044 588969409 /nfs/dbraw/zinc/96/94/09/588969409.db2.gz LUXXDFWFKLLMRG-VIFPVBQESA-N 2 2 229.324 0.079 20 0 BCADLP C[C@H](C[C@@H]1CCOC1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000858598071 588969997 /nfs/dbraw/zinc/96/99/97/588969997.db2.gz BMMFJBGOTMOIPP-AGIUHOORSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H](C[C@@H]1CCOC1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000858598071 588969998 /nfs/dbraw/zinc/96/99/98/588969998.db2.gz BMMFJBGOTMOIPP-AGIUHOORSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C12CC[NH+](CC1)C2 ZINC000900216891 584287293 /nfs/dbraw/zinc/28/72/93/584287293.db2.gz YROJDAIXGZDPNV-LLVKDONJSA-N 2 2 248.330 0.484 20 0 BCADLP C[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900590965 584329566 /nfs/dbraw/zinc/32/95/66/584329566.db2.gz RAQNQPUECVCYSQ-SECBINFHSA-N 2 2 222.292 0.163 20 0 BCADLP C[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900590965 584329567 /nfs/dbraw/zinc/32/95/67/584329567.db2.gz RAQNQPUECVCYSQ-SECBINFHSA-N 2 2 222.292 0.163 20 0 BCADLP C[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900590965 584329568 /nfs/dbraw/zinc/32/95/68/584329568.db2.gz RAQNQPUECVCYSQ-SECBINFHSA-N 2 2 222.292 0.163 20 0 BCADLP C[N@@H+]1CCC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900631262 584334305 /nfs/dbraw/zinc/33/43/05/584334305.db2.gz ZFCSWSCVKCMYSH-SNVBAGLBSA-N 2 2 236.319 0.410 20 0 BCADLP C[N@H+]1CCC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900631262 584334306 /nfs/dbraw/zinc/33/43/06/584334306.db2.gz ZFCSWSCVKCMYSH-SNVBAGLBSA-N 2 2 236.319 0.410 20 0 BCADLP C[N@@H+]1CCC[C@H](CNC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900631262 584334307 /nfs/dbraw/zinc/33/43/07/584334307.db2.gz ZFCSWSCVKCMYSH-SNVBAGLBSA-N 2 2 236.319 0.410 20 0 BCADLP C[N@H+]1CCC[C@H](CNC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900631262 584334308 /nfs/dbraw/zinc/33/43/08/584334308.db2.gz ZFCSWSCVKCMYSH-SNVBAGLBSA-N 2 2 236.319 0.410 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)CNc1cccc[nH+]1 ZINC000900696403 584339064 /nfs/dbraw/zinc/33/90/64/584339064.db2.gz XXKVKWVGQVYEDY-LLVKDONJSA-N 2 2 248.330 0.704 20 0 BCADLP C[N@H+]1CCC[C@@H]1CNC(=O)CNc1cccc[nH+]1 ZINC000900696403 584339065 /nfs/dbraw/zinc/33/90/65/584339065.db2.gz XXKVKWVGQVYEDY-LLVKDONJSA-N 2 2 248.330 0.704 20 0 BCADLP Cc1cc(NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)cc[nH+]1 ZINC000900673992 584340017 /nfs/dbraw/zinc/34/00/17/584340017.db2.gz VHZHEPYMMZAOCD-YPMHNXCESA-N 2 2 249.314 0.206 20 0 BCADLP Cc1cc(NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)cc[nH+]1 ZINC000900673992 584340019 /nfs/dbraw/zinc/34/00/19/584340019.db2.gz VHZHEPYMMZAOCD-YPMHNXCESA-N 2 2 249.314 0.206 20 0 BCADLP CC(C)[C@@H](C[NH+](C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900692862 584341870 /nfs/dbraw/zinc/34/18/70/584341870.db2.gz KSUNFVGAQGBINI-LLVKDONJSA-N 2 2 238.335 0.655 20 0 BCADLP CC(C)[C@@H](C[NH+](C)C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900692862 584341871 /nfs/dbraw/zinc/34/18/71/584341871.db2.gz KSUNFVGAQGBINI-LLVKDONJSA-N 2 2 238.335 0.655 20 0 BCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCC[N@H+](C)C1 ZINC000900830209 584355225 /nfs/dbraw/zinc/35/52/25/584355225.db2.gz NYFSEYRICHYQHT-LLVKDONJSA-N 2 2 236.319 0.505 20 0 BCADLP Cc1[nH]c(CNC(=O)Cn2cc[nH+]c2)[nH+]c1C ZINC000901001486 584373304 /nfs/dbraw/zinc/37/33/04/584373304.db2.gz WRSZZCPELKLMKW-UHFFFAOYSA-N 2 2 233.275 0.539 20 0 BCADLP C[N@@H+]1CCN(C(=O)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC000901275833 584413058 /nfs/dbraw/zinc/41/30/58/584413058.db2.gz NBMVIUWINDSZDV-UHFFFAOYSA-N 2 2 236.319 0.505 20 0 BCADLP C[N@H+]1CCN(C(=O)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC000901275833 584413059 /nfs/dbraw/zinc/41/30/59/584413059.db2.gz NBMVIUWINDSZDV-UHFFFAOYSA-N 2 2 236.319 0.505 20 0 BCADLP CCn1cnc(C[NH2+]CCC[NH+](C)C)c1 ZINC000902027964 584513215 /nfs/dbraw/zinc/51/32/15/584513215.db2.gz MSYFEXJNMYUBMZ-UHFFFAOYSA-N 2 2 210.325 0.944 20 0 BCADLP CCn1c[nH+]c(CNCCC[NH+](C)C)c1 ZINC000902027964 584513216 /nfs/dbraw/zinc/51/32/16/584513216.db2.gz MSYFEXJNMYUBMZ-UHFFFAOYSA-N 2 2 210.325 0.944 20 0 BCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CN3C[C@@H]4C[C@@H]4C3=O)C2)C1 ZINC000902278741 584550980 /nfs/dbraw/zinc/55/09/80/584550980.db2.gz QPOKXENQOZPLRW-SGMGOOAPSA-N 2 2 249.358 0.450 20 0 BCADLP C[N@H+]1CC[C@@]2(CC[NH+](CN3C[C@@H]4C[C@@H]4C3=O)C2)C1 ZINC000902278741 584550981 /nfs/dbraw/zinc/55/09/81/584550981.db2.gz QPOKXENQOZPLRW-SGMGOOAPSA-N 2 2 249.358 0.450 20 0 BCADLP C[NH+]1CC[C@@]2(CC[N@H+](CN3C[C@@H]4C[C@@H]4C3=O)C2)C1 ZINC000902278741 584550982 /nfs/dbraw/zinc/55/09/82/584550982.db2.gz QPOKXENQOZPLRW-SGMGOOAPSA-N 2 2 249.358 0.450 20 0 BCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CN3C[C@@H]4C[C@@H]4C3=O)C2)C1 ZINC000902278741 584550983 /nfs/dbraw/zinc/55/09/83/584550983.db2.gz QPOKXENQOZPLRW-SGMGOOAPSA-N 2 2 249.358 0.450 20 0 BCADLP Cc1nccnc1[C@@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902408169 584574702 /nfs/dbraw/zinc/57/47/02/584574702.db2.gz XZQQKNCUQCBPRU-SECBINFHSA-N 2 2 206.293 0.927 20 0 BCADLP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2([NH3+])CC2)C1 ZINC000902410193 584575851 /nfs/dbraw/zinc/57/58/51/584575851.db2.gz PXPULTFDPXYSLB-UWVGGRQHSA-N 3 2 211.353 0.973 20 0 BCADLP [NH3+]C1(C[NH2+][C@H]2CCCc3n[nH]cc32)CC1 ZINC000902404072 584588450 /nfs/dbraw/zinc/58/84/50/584588450.db2.gz BYMGCLLSDICNJV-VIFPVBQESA-N 2 2 206.293 0.868 20 0 BCADLP O[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000902431106 584595268 /nfs/dbraw/zinc/59/52/68/584595268.db2.gz RGKQURMTUABFPN-JHJVBQTASA-N 2 2 242.363 0.506 20 0 BCADLP C1C[C@H]2CC([NH2+][C@@H]3C[NH2+]CCOC3)C[C@@H]1S2 ZINC000902442281 584597985 /nfs/dbraw/zinc/59/79/85/584597985.db2.gz BANZQWGOCBCCNT-RDFFEMEHSA-N 2 2 242.388 0.991 20 0 BCADLP CCOC[C@H](C)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902448372 584605808 /nfs/dbraw/zinc/60/58/08/584605808.db2.gz DPDKZXAXOHYUAX-UWVGGRQHSA-N 2 2 200.326 0.999 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902449925 584606126 /nfs/dbraw/zinc/60/61/26/584606126.db2.gz AKPKWGCCMCNRTL-YNRVRDPVSA-N 2 2 222.332 0.750 20 0 BCADLP Fc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000859085296 588999260 /nfs/dbraw/zinc/99/92/60/588999260.db2.gz IBBUENXXSADUTR-GHMZBOCLSA-N 2 2 221.279 0.872 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1NCc1cn(C)c[nH+]1 ZINC000902459612 584610587 /nfs/dbraw/zinc/61/05/87/584610587.db2.gz DBHCIVDQJATNRZ-ONGXEEELSA-N 2 2 208.309 0.508 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1NCc1cn(C)c[nH+]1 ZINC000902459610 584610891 /nfs/dbraw/zinc/61/08/91/584610891.db2.gz DBHCIVDQJATNRZ-KOLCDFICSA-N 2 2 208.309 0.508 20 0 BCADLP Cn1c[nH+]c(CN[C@H]2CC[NH2+]C23CCC3)c1 ZINC000902462622 584612323 /nfs/dbraw/zinc/61/23/23/584612323.db2.gz WETYWTRLYBNZCJ-NSHDSACASA-N 2 2 220.320 0.794 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1NCc1cn(C)c[nH+]1 ZINC000902462344 584612691 /nfs/dbraw/zinc/61/26/91/584612691.db2.gz UWJUVBFGHUHUGK-KOLCDFICSA-N 2 2 208.309 0.650 20 0 BCADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902465608 584613954 /nfs/dbraw/zinc/61/39/54/584613954.db2.gz HLCMVSWISFISSM-FPYNETTCSA-N 3 2 223.364 0.986 20 0 BCADLP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902465609 584614160 /nfs/dbraw/zinc/61/41/60/584614160.db2.gz HLCMVSWISFISSM-NAWOPXAZSA-N 3 2 223.364 0.986 20 0 BCADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902467649 584614959 /nfs/dbraw/zinc/61/49/59/584614959.db2.gz QJSIYTCAYOTOKK-NJMOYASZSA-N 3 2 223.364 0.857 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C[N@@H+]1C1CC1 ZINC000902490019 584617544 /nfs/dbraw/zinc/61/75/44/584617544.db2.gz QWQYADWYDALIPX-KKOKHZNYSA-N 3 2 223.364 0.939 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C[N@H+]1C1CC1 ZINC000902490019 584617545 /nfs/dbraw/zinc/61/75/45/584617545.db2.gz QWQYADWYDALIPX-KKOKHZNYSA-N 3 2 223.364 0.939 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902491354 584618172 /nfs/dbraw/zinc/61/81/72/584618172.db2.gz VTIJMDWJJGRTFW-ZPFDUUQYSA-N 3 2 223.364 0.796 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902491354 584618174 /nfs/dbraw/zinc/61/81/74/584618174.db2.gz VTIJMDWJJGRTFW-ZPFDUUQYSA-N 3 2 223.364 0.796 20 0 BCADLP [NH3+]C[C@H]1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000902490804 584618252 /nfs/dbraw/zinc/61/82/52/584618252.db2.gz VXTQQVDWLNHTRL-XYJRDEOASA-N 3 2 239.363 0.080 20 0 BCADLP CC(=O)NCCC[NH2+]C(C)(C)C[NH+](C)C ZINC000902977390 584707923 /nfs/dbraw/zinc/70/79/23/584707923.db2.gz ALLUGBSVUSEXAH-UHFFFAOYSA-N 2 2 215.341 0.442 20 0 BCADLP CC(C)[C@H]1C(=O)NCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903434364 584762327 /nfs/dbraw/zinc/76/23/27/584762327.db2.gz DWUMZHYMDVRREJ-WOPDTQHZSA-N 2 2 239.363 0.298 20 0 BCADLP CC(C)[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903434364 584762328 /nfs/dbraw/zinc/76/23/28/584762328.db2.gz DWUMZHYMDVRREJ-WOPDTQHZSA-N 2 2 239.363 0.298 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H]2CCN(OC)C2=O)C1 ZINC000903421291 584763588 /nfs/dbraw/zinc/76/35/88/584763588.db2.gz KHWXPXBTNZLGIA-WDEREUQCSA-N 2 2 241.335 0.080 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCN(OC)C2=O)C1 ZINC000903421291 584763589 /nfs/dbraw/zinc/76/35/89/584763589.db2.gz KHWXPXBTNZLGIA-WDEREUQCSA-N 2 2 241.335 0.080 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C1CC[NH2+]CC1 ZINC000903422017 584763949 /nfs/dbraw/zinc/76/39/49/584763949.db2.gz SZXJXPDYJOYBMY-MNOVXSKESA-N 3 2 211.353 0.526 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000903422017 584763950 /nfs/dbraw/zinc/76/39/50/584763950.db2.gz SZXJXPDYJOYBMY-MNOVXSKESA-N 3 2 211.353 0.526 20 0 BCADLP CON1CC[C@@H]([N@H+](C)CC[C@@H]([NH3+])C(C)C)C1=O ZINC000903424842 584765187 /nfs/dbraw/zinc/76/51/87/584765187.db2.gz ITYOUFLWTNWWJG-GHMZBOCLSA-N 2 2 243.351 0.454 20 0 BCADLP CON1CC[C@@H]([N@@H+](C)CC[C@@H]([NH3+])C(C)C)C1=O ZINC000903424842 584765189 /nfs/dbraw/zinc/76/51/89/584765189.db2.gz ITYOUFLWTNWWJG-GHMZBOCLSA-N 2 2 243.351 0.454 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000903425034 584765312 /nfs/dbraw/zinc/76/53/12/584765312.db2.gz PCBAKNLYLPLKCY-WYUUTHIRSA-N 3 2 211.353 0.511 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000903425034 584765313 /nfs/dbraw/zinc/76/53/13/584765313.db2.gz PCBAKNLYLPLKCY-WYUUTHIRSA-N 3 2 211.353 0.511 20 0 BCADLP COC(=O)NC1CC[NH+](C[C@H]2CCC[NH2+]2)CC1 ZINC000903464705 584766194 /nfs/dbraw/zinc/76/61/94/584766194.db2.gz WRDTWQSMIAZHMH-LLVKDONJSA-N 2 2 241.335 0.559 20 0 BCADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000903460656 584766773 /nfs/dbraw/zinc/76/67/73/584766773.db2.gz HAMJYLJBWMJQCI-XQQFMLRXSA-N 3 2 223.364 0.799 20 0 BCADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000903460656 584766775 /nfs/dbraw/zinc/76/67/75/584766775.db2.gz HAMJYLJBWMJQCI-XQQFMLRXSA-N 3 2 223.364 0.799 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000903464133 584767224 /nfs/dbraw/zinc/76/72/24/584767224.db2.gz AWLSJNFTNBENKY-VOAKCMCISA-N 3 2 223.364 0.655 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000903464133 584767225 /nfs/dbraw/zinc/76/72/25/584767225.db2.gz AWLSJNFTNBENKY-VOAKCMCISA-N 3 2 223.364 0.655 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCc2nccnc2C1 ZINC000903464125 584767458 /nfs/dbraw/zinc/76/74/58/584767458.db2.gz ASSKYYHORVECED-MNOVXSKESA-N 2 2 232.331 0.690 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCc2nccnc2C1 ZINC000903464125 584767460 /nfs/dbraw/zinc/76/74/60/584767460.db2.gz ASSKYYHORVECED-MNOVXSKESA-N 2 2 232.331 0.690 20 0 BCADLP CCC[C@H]1C(=O)NCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903457121 584774357 /nfs/dbraw/zinc/77/43/57/584774357.db2.gz OFQAPMHRBVVROQ-WOPDTQHZSA-N 2 2 239.363 0.442 20 0 BCADLP CCC[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903457121 584774358 /nfs/dbraw/zinc/77/43/58/584774358.db2.gz OFQAPMHRBVVROQ-WOPDTQHZSA-N 2 2 239.363 0.442 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C(=O)N(C)C ZINC000903471760 584775411 /nfs/dbraw/zinc/77/54/11/584775411.db2.gz MAAKYPSFADHCJV-VHSXEESVSA-N 2 2 225.336 0.337 20 0 BCADLP C[C@@H](c1ncccn1)[N@H+](C)CCOCC[NH3+] ZINC000903474749 584776672 /nfs/dbraw/zinc/77/66/72/584776672.db2.gz SESPVOWPOHRLNN-JTQLQIEISA-N 2 2 224.308 0.445 20 0 BCADLP C[C@@H](c1ncccn1)[N@@H+](C)CCOCC[NH3+] ZINC000903474749 584776673 /nfs/dbraw/zinc/77/66/73/584776673.db2.gz SESPVOWPOHRLNN-JTQLQIEISA-N 2 2 224.308 0.445 20 0 BCADLP C[NH2+]CCOCC[N@H+](C)[C@H](C)c1ncccn1 ZINC000903474939 584776846 /nfs/dbraw/zinc/77/68/46/584776846.db2.gz VRNHMTGITGCXIT-LLVKDONJSA-N 2 2 238.335 0.705 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1ncccn1 ZINC000903474939 584776848 /nfs/dbraw/zinc/77/68/48/584776848.db2.gz VRNHMTGITGCXIT-LLVKDONJSA-N 2 2 238.335 0.705 20 0 BCADLP CON1CC[C@H]([N@@H+]2CCCCC[C@H]([NH3+])C2)C1=O ZINC000903476636 584777150 /nfs/dbraw/zinc/77/71/50/584777150.db2.gz DFOBZHOLQZCTEB-QWRGUYRKSA-N 2 2 241.335 0.352 20 0 BCADLP CON1CC[C@H]([N@H+]2CCCCC[C@H]([NH3+])C2)C1=O ZINC000903476636 584777152 /nfs/dbraw/zinc/77/71/52/584777152.db2.gz DFOBZHOLQZCTEB-QWRGUYRKSA-N 2 2 241.335 0.352 20 0 BCADLP CO[C@H]1COCC[C@@H]1[N@H+](C)C[C@H]1CCC[NH2+]1 ZINC000903481423 584778117 /nfs/dbraw/zinc/77/81/17/584778117.db2.gz BLNKGXVCVQTUHY-WOPDTQHZSA-N 2 2 228.336 0.474 20 0 BCADLP CO[C@H]1COCC[C@@H]1[N@@H+](C)C[C@H]1CCC[NH2+]1 ZINC000903481423 584778118 /nfs/dbraw/zinc/77/81/18/584778118.db2.gz BLNKGXVCVQTUHY-WOPDTQHZSA-N 2 2 228.336 0.474 20 0 BCADLP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@H]1CC[NH2+]C1 ZINC000903483660 584779290 /nfs/dbraw/zinc/77/92/90/584779290.db2.gz JESTWQFLRSPILV-RYUDHWBXSA-N 3 2 223.364 0.860 20 0 BCADLP CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903465772 584779411 /nfs/dbraw/zinc/77/94/11/584779411.db2.gz MJBSVCCLMCCBDR-GHMZBOCLSA-N 2 2 239.363 0.775 20 0 BCADLP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]2)C[C@H]1CC[NH3+] ZINC000903498387 584780220 /nfs/dbraw/zinc/78/02/20/584780220.db2.gz FGNNNQRYOBCWIT-IJLUTSLNSA-N 3 2 211.353 0.655 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]2)C[C@H]1CC[NH3+] ZINC000903498387 584780221 /nfs/dbraw/zinc/78/02/21/584780221.db2.gz FGNNNQRYOBCWIT-IJLUTSLNSA-N 3 2 211.353 0.655 20 0 BCADLP C[C@]1(C2CC[NH+](CC[NH3+])CC2)COC(=O)N1 ZINC000903564015 584782553 /nfs/dbraw/zinc/78/25/53/584782553.db2.gz NURZBHCFTDDGEF-LLVKDONJSA-N 2 2 227.308 0.156 20 0 BCADLP C[NH2+]CC[N@H+](C[C@H]1CCc2ncnn21)C(C)C ZINC000903575671 584784033 /nfs/dbraw/zinc/78/40/33/584784033.db2.gz QVAOSXCVZOQRED-LLVKDONJSA-N 2 2 237.351 0.695 20 0 BCADLP C[NH2+]CC[N@@H+](C[C@H]1CCc2ncnn21)C(C)C ZINC000903575671 584784035 /nfs/dbraw/zinc/78/40/35/584784035.db2.gz QVAOSXCVZOQRED-LLVKDONJSA-N 2 2 237.351 0.695 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H]1C[NH2+]C ZINC000903717538 584792208 /nfs/dbraw/zinc/79/22/08/584792208.db2.gz RGMQACZIDPCHAM-SDDRHHMPSA-N 2 2 240.347 0.869 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]1C[NH2+]C ZINC000903717538 584792209 /nfs/dbraw/zinc/79/22/09/584792209.db2.gz RGMQACZIDPCHAM-SDDRHHMPSA-N 2 2 240.347 0.869 20 0 BCADLP [NH3+][C@@H]1CC[N@H+](CCOC2CCSCC2)C1 ZINC000903713325 584793774 /nfs/dbraw/zinc/79/37/74/584793774.db2.gz MUPZBWSXNMZSPZ-SNVBAGLBSA-N 2 2 230.377 0.932 20 0 BCADLP [NH3+][C@@H]1CC[N@@H+](CCOC2CCSCC2)C1 ZINC000903713325 584793775 /nfs/dbraw/zinc/79/37/75/584793775.db2.gz MUPZBWSXNMZSPZ-SNVBAGLBSA-N 2 2 230.377 0.932 20 0 BCADLP C[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H]1CC[NH2+]C1 ZINC000903715887 584794133 /nfs/dbraw/zinc/79/41/33/584794133.db2.gz BFFZDPONFUJSGD-AVGNSLFASA-N 3 2 239.363 0.049 20 0 BCADLP C[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H]1CC[NH2+]C1 ZINC000903715887 584794135 /nfs/dbraw/zinc/79/41/35/584794135.db2.gz BFFZDPONFUJSGD-AVGNSLFASA-N 3 2 239.363 0.049 20 0 BCADLP C[N@H+](Cc1cnn(CCF)c1)C1CC([NH3+])C1 ZINC000903749546 584794774 /nfs/dbraw/zinc/79/47/74/584794774.db2.gz LJHKYLVAERBDNG-UHFFFAOYSA-N 2 2 226.299 0.774 20 0 BCADLP C[N@@H+](Cc1cnn(CCF)c1)C1CC([NH3+])C1 ZINC000903749546 584794775 /nfs/dbraw/zinc/79/47/75/584794775.db2.gz LJHKYLVAERBDNG-UHFFFAOYSA-N 2 2 226.299 0.774 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)C[C@H]1[NH3+] ZINC000903753034 584796157 /nfs/dbraw/zinc/79/61/57/584796157.db2.gz YMHGCYOKHHPTKS-IJLUTSLNSA-N 3 2 211.353 0.655 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)C[C@H]1[NH3+] ZINC000903753034 584796158 /nfs/dbraw/zinc/79/61/58/584796158.db2.gz YMHGCYOKHHPTKS-IJLUTSLNSA-N 3 2 211.353 0.655 20 0 BCADLP COCC(COC)[N@@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000903765527 584797321 /nfs/dbraw/zinc/79/73/21/584797321.db2.gz JAKOXPZIGMOSGO-NXEZZACHSA-N 2 2 220.288 0.019 20 0 BCADLP COCC(COC)[N@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000903765527 584797322 /nfs/dbraw/zinc/79/73/22/584797322.db2.gz JAKOXPZIGMOSGO-NXEZZACHSA-N 2 2 220.288 0.019 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903775073 584798997 /nfs/dbraw/zinc/79/89/97/584798997.db2.gz HGNFZJKMCJGRAP-SDDRHHMPSA-N 3 2 227.352 0.034 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903775073 584798998 /nfs/dbraw/zinc/79/89/98/584798998.db2.gz HGNFZJKMCJGRAP-SDDRHHMPSA-N 3 2 227.352 0.034 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000903778232 584799557 /nfs/dbraw/zinc/79/95/57/584799557.db2.gz LGSVTUVLNWBPKL-XWLWVQCSSA-N 2 2 226.320 0.607 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000903778232 584799558 /nfs/dbraw/zinc/79/95/58/584799558.db2.gz LGSVTUVLNWBPKL-XWLWVQCSSA-N 2 2 226.320 0.607 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903779162 584799597 /nfs/dbraw/zinc/79/95/97/584799597.db2.gz UYYVCSNXMKEMNZ-WOPDTQHZSA-N 3 2 211.353 0.798 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903779162 584799598 /nfs/dbraw/zinc/79/95/98/584799598.db2.gz UYYVCSNXMKEMNZ-WOPDTQHZSA-N 3 2 211.353 0.798 20 0 BCADLP C1=CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)[NH2+]C1 ZINC000903783840 584800072 /nfs/dbraw/zinc/80/00/72/584800072.db2.gz FHZTUFHJOZSSOM-NWDGAFQWSA-N 2 2 223.320 0.131 20 0 BCADLP [NH3+][C@H]1CCC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903786458 584800231 /nfs/dbraw/zinc/80/02/31/584800231.db2.gz JDJRVSMBLBLIFC-RWMBFGLXSA-N 3 2 239.363 0.178 20 0 BCADLP [NH3+][C@H]1CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903786458 584800233 /nfs/dbraw/zinc/80/02/33/584800233.db2.gz JDJRVSMBLBLIFC-RWMBFGLXSA-N 3 2 239.363 0.178 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903784280 584800255 /nfs/dbraw/zinc/80/02/55/584800255.db2.gz MZMXWSCWHKSEAN-FRRDWIJNSA-N 3 2 239.363 0.178 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903784280 584800256 /nfs/dbraw/zinc/80/02/56/584800256.db2.gz MZMXWSCWHKSEAN-FRRDWIJNSA-N 3 2 239.363 0.178 20 0 BCADLP CN(C)C(=O)CC[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903800846 584801511 /nfs/dbraw/zinc/80/15/11/584801511.db2.gz JECDKZIMBOKBQZ-WCQYABFASA-N 2 2 239.363 0.668 20 0 BCADLP CN(C)C(=O)CC[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903800846 584801513 /nfs/dbraw/zinc/80/15/13/584801513.db2.gz JECDKZIMBOKBQZ-WCQYABFASA-N 2 2 239.363 0.668 20 0 BCADLP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000903827266 584805168 /nfs/dbraw/zinc/80/51/68/584805168.db2.gz REGHQQMNSGEHJT-GRYCIOLGSA-N 2 2 226.320 0.086 20 0 BCADLP C([C@@H]1CC[NH2+]C1)[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000903827266 584805170 /nfs/dbraw/zinc/80/51/70/584805170.db2.gz REGHQQMNSGEHJT-GRYCIOLGSA-N 2 2 226.320 0.086 20 0 BCADLP C[C@@H]1CSCCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000903830033 584805371 /nfs/dbraw/zinc/80/53/71/584805371.db2.gz RCXUZQQVBCJVKG-GHMZBOCLSA-N 2 2 230.377 0.802 20 0 BCADLP C[C@@H]1CSCCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000903830033 584805373 /nfs/dbraw/zinc/80/53/73/584805373.db2.gz RCXUZQQVBCJVKG-GHMZBOCLSA-N 2 2 230.377 0.802 20 0 BCADLP C[C@H]1CSCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000903830035 584805703 /nfs/dbraw/zinc/80/57/03/584805703.db2.gz RCXUZQQVBCJVKG-QWRGUYRKSA-N 2 2 230.377 0.802 20 0 BCADLP C[C@H]1CSCCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000903830035 584805704 /nfs/dbraw/zinc/80/57/04/584805704.db2.gz RCXUZQQVBCJVKG-QWRGUYRKSA-N 2 2 230.377 0.802 20 0 BCADLP O[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C[C@H]1F ZINC000903838540 584806873 /nfs/dbraw/zinc/80/68/73/584806873.db2.gz CECKNERKUWLXCI-IJLUTSLNSA-N 2 2 230.327 0.781 20 0 BCADLP O[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C[C@H]1F ZINC000903838540 584806874 /nfs/dbraw/zinc/80/68/74/584806874.db2.gz CECKNERKUWLXCI-IJLUTSLNSA-N 2 2 230.327 0.781 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cn1 ZINC000903853089 584808243 /nfs/dbraw/zinc/80/82/43/584808243.db2.gz DFAGJURDLRBDGE-NWDGAFQWSA-N 2 2 220.320 0.733 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cn1 ZINC000903853089 584808244 /nfs/dbraw/zinc/80/82/44/584808244.db2.gz DFAGJURDLRBDGE-NWDGAFQWSA-N 2 2 220.320 0.733 20 0 BCADLP COCCOCC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903858443 584810654 /nfs/dbraw/zinc/81/06/54/584810654.db2.gz YLVREWWHWZPYIT-RYUDHWBXSA-N 2 2 228.336 0.463 20 0 BCADLP COCCOCC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903858443 584810655 /nfs/dbraw/zinc/81/06/55/584810655.db2.gz YLVREWWHWZPYIT-RYUDHWBXSA-N 2 2 228.336 0.463 20 0 BCADLP CCOC(=O)CC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903859143 584811321 /nfs/dbraw/zinc/81/13/21/584811321.db2.gz LGQUOJLFAZJXCH-CMPLNLGQSA-N 2 2 226.320 0.753 20 0 BCADLP CCOC(=O)CC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903859143 584811322 /nfs/dbraw/zinc/81/13/22/584811322.db2.gz LGQUOJLFAZJXCH-CMPLNLGQSA-N 2 2 226.320 0.753 20 0 BCADLP Cn1nccc1C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903861141 584811799 /nfs/dbraw/zinc/81/17/99/584811799.db2.gz VMTTYECVFYDOHF-ZYHUDNBSSA-N 2 2 220.320 0.733 20 0 BCADLP Cn1nccc1C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903861141 584811800 /nfs/dbraw/zinc/81/18/00/584811800.db2.gz VMTTYECVFYDOHF-ZYHUDNBSSA-N 2 2 220.320 0.733 20 0 BCADLP Cn1ccc(C[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1=O ZINC000903863977 584813189 /nfs/dbraw/zinc/81/31/89/584813189.db2.gz FJKPFMNMBDVUHK-CQSZACIVSA-N 2 2 247.342 0.713 20 0 BCADLP Cn1ccc(C[N@H+]2CCC[C@]23CC[NH2+]C3)cc1=O ZINC000903863977 584813191 /nfs/dbraw/zinc/81/31/91/584813191.db2.gz FJKPFMNMBDVUHK-CQSZACIVSA-N 2 2 247.342 0.713 20 0 BCADLP CCOC[C@@H](O)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869268 584814758 /nfs/dbraw/zinc/81/47/58/584814758.db2.gz FTKRTLXIDIBTHJ-RYUDHWBXSA-N 2 2 228.336 0.212 20 0 BCADLP CCOC[C@@H](O)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869268 584814760 /nfs/dbraw/zinc/81/47/60/584814760.db2.gz FTKRTLXIDIBTHJ-RYUDHWBXSA-N 2 2 228.336 0.212 20 0 BCADLP C[C@]12CSC[C@H]1C[N@H+](C[C@@H]1C[NH2+]CCO1)C2 ZINC000903871953 584815490 /nfs/dbraw/zinc/81/54/90/584815490.db2.gz TWEMBMYTQZLHRV-WOPDTQHZSA-N 2 2 242.388 0.660 20 0 BCADLP C[C@]12CSC[C@H]1C[N@@H+](C[C@@H]1C[NH2+]CCO1)C2 ZINC000903871953 584815491 /nfs/dbraw/zinc/81/54/91/584815491.db2.gz TWEMBMYTQZLHRV-WOPDTQHZSA-N 2 2 242.388 0.660 20 0 BCADLP NC(=O)[C@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903874067 584815778 /nfs/dbraw/zinc/81/57/78/584815778.db2.gz RMTOSFSLNRSPTL-YUMQZZPRSA-N 2 2 235.278 0.166 20 0 BCADLP NC(=O)[C@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903874067 584815779 /nfs/dbraw/zinc/81/57/79/584815779.db2.gz RMTOSFSLNRSPTL-YUMQZZPRSA-N 2 2 235.278 0.166 20 0 BCADLP CC(C)C[N@@H+](CC(N)=O)C[C@H]([NH3+])CC(F)F ZINC000903884206 584818447 /nfs/dbraw/zinc/81/84/47/584818447.db2.gz UVKAAZCZWAUYDZ-MRVPVSSYSA-N 2 2 237.294 0.412 20 0 BCADLP CC(C)C[N@H+](CC(N)=O)C[C@H]([NH3+])CC(F)F ZINC000903884206 584818448 /nfs/dbraw/zinc/81/84/48/584818448.db2.gz UVKAAZCZWAUYDZ-MRVPVSSYSA-N 2 2 237.294 0.412 20 0 BCADLP C[C@H](O)[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903901980 584820315 /nfs/dbraw/zinc/82/03/15/584820315.db2.gz CHLSPNSNPKMUTG-DJLDLDEBSA-N 2 2 222.279 0.672 20 0 BCADLP C[C@H](O)[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903901980 584820316 /nfs/dbraw/zinc/82/03/16/584820316.db2.gz CHLSPNSNPKMUTG-DJLDLDEBSA-N 2 2 222.279 0.672 20 0 BCADLP CC[N@H+](CCOCCO)C[C@@H]([NH3+])CC(F)F ZINC000903913119 584822250 /nfs/dbraw/zinc/82/22/50/584822250.db2.gz MVBZTXYKAMASGJ-VIFPVBQESA-N 2 2 240.294 0.300 20 0 BCADLP CC[N@@H+](CCOCCO)C[C@@H]([NH3+])CC(F)F ZINC000903913119 584822251 /nfs/dbraw/zinc/82/22/51/584822251.db2.gz MVBZTXYKAMASGJ-VIFPVBQESA-N 2 2 240.294 0.300 20 0 BCADLP CCN(C)C(=O)[C@H](C)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903926589 584824364 /nfs/dbraw/zinc/82/43/64/584824364.db2.gz MQRDELYQIRODRV-YUMQZZPRSA-N 2 2 237.294 0.425 20 0 BCADLP C[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)C[C@@H]1CO ZINC000903933849 584824818 /nfs/dbraw/zinc/82/48/18/584824818.db2.gz WVKDIIIBWYENQR-BBBLOLIVSA-N 2 2 236.306 0.919 20 0 BCADLP C[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C[C@@H]1CO ZINC000903933849 584824819 /nfs/dbraw/zinc/82/48/19/584824819.db2.gz WVKDIIIBWYENQR-BBBLOLIVSA-N 2 2 236.306 0.919 20 0 BCADLP CC(C)[C@H]([NH3+])CC[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903932513 584825003 /nfs/dbraw/zinc/82/50/03/584825003.db2.gz DCCYWMJTGXLMLW-DTWKUNHWSA-N 3 2 223.311 0.932 20 0 BCADLP CNC(=O)c1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903960252 584827505 /nfs/dbraw/zinc/82/75/05/584827505.db2.gz AZILMRGPTMCJQR-ZWNOBZJWSA-N 2 2 247.342 0.744 20 0 BCADLP COC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000903959510 584827702 /nfs/dbraw/zinc/82/77/02/584827702.db2.gz JDYSCKREDGFTAI-UPJWGTAASA-N 2 2 242.363 0.770 20 0 BCADLP [NH3+]CC1(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903957664 584827759 /nfs/dbraw/zinc/82/77/59/584827759.db2.gz SETBJDOUUAMRJW-VIFPVBQESA-N 3 2 233.306 0.560 20 0 BCADLP CCC1([NH3+])CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000903947556 584829510 /nfs/dbraw/zinc/82/95/10/584829510.db2.gz AVMDXUHOEILOLO-UHFFFAOYSA-N 3 2 211.353 0.942 20 0 BCADLP C[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903949871 584830793 /nfs/dbraw/zinc/83/07/93/584830793.db2.gz FZNQVYOTQGQUMW-KWQFWETISA-N 2 2 207.277 0.931 20 0 BCADLP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000903955873 584832016 /nfs/dbraw/zinc/83/20/16/584832016.db2.gz BOEGUWGUZBLTKJ-MNOVXSKESA-N 3 2 247.333 0.963 20 0 BCADLP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000903956213 584832046 /nfs/dbraw/zinc/83/20/46/584832046.db2.gz IZBUMOFALWVGHM-MXWKQRLJSA-N 3 2 245.317 0.430 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC000903964542 584834048 /nfs/dbraw/zinc/83/40/48/584834048.db2.gz KWXWUCRBYJWJGF-ZJUUUORDSA-N 2 2 208.309 0.365 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC000903967686 584834901 /nfs/dbraw/zinc/83/49/01/584834901.db2.gz KQDDOERAGPWLRU-WISYIIOYSA-N 3 2 211.353 0.430 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@H+](Cc2ccc(C[NH3+])cc2)CCO1 ZINC000904302385 584861765 /nfs/dbraw/zinc/86/17/65/584861765.db2.gz VENAMICYLXNKHT-FZMZJTMJSA-N 3 2 249.358 0.693 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)CCO1 ZINC000904302385 584861766 /nfs/dbraw/zinc/86/17/66/584861766.db2.gz VENAMICYLXNKHT-FZMZJTMJSA-N 3 2 249.358 0.693 20 0 BCADLP CC[C@H]1C[N@H+](Cc2ccc(N)nn2)CC[C@H]1[NH3+] ZINC000904302677 584862135 /nfs/dbraw/zinc/86/21/35/584862135.db2.gz YAYMRAUKDYULGP-GXSJLCMTSA-N 2 2 235.335 0.618 20 0 BCADLP CC[C@H]1C[N@@H+](Cc2ccc(N)nn2)CC[C@H]1[NH3+] ZINC000904302677 584862136 /nfs/dbraw/zinc/86/21/36/584862136.db2.gz YAYMRAUKDYULGP-GXSJLCMTSA-N 2 2 235.335 0.618 20 0 BCADLP C[C@@]1(C[N@@H+]2CCCNC(=O)C2)CCC[NH2+]C1 ZINC000904313005 584863561 /nfs/dbraw/zinc/86/35/61/584863561.db2.gz ASIDUWTXXGMSQT-GFCCVEGCSA-N 2 2 225.336 0.198 20 0 BCADLP C[C@@]1(C[N@H+]2CCCNC(=O)C2)CCC[NH2+]C1 ZINC000904313005 584863562 /nfs/dbraw/zinc/86/35/62/584863562.db2.gz ASIDUWTXXGMSQT-GFCCVEGCSA-N 2 2 225.336 0.198 20 0 BCADLP C[C@]1(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)CCC[NH2+]C1 ZINC000904349963 584868833 /nfs/dbraw/zinc/86/88/33/584868833.db2.gz FDTOSTIMJXQBRY-XQQFMLRXSA-N 2 2 240.347 0.476 20 0 BCADLP C[C@]1(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)CCC[NH2+]C1 ZINC000904349963 584868834 /nfs/dbraw/zinc/86/88/34/584868834.db2.gz FDTOSTIMJXQBRY-XQQFMLRXSA-N 2 2 240.347 0.476 20 0 BCADLP C[C@]1(C[NH2+]C[C@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000904353767 584870538 /nfs/dbraw/zinc/87/05/38/584870538.db2.gz QVYIEPBSVXGZDD-NEPJUHHUSA-N 3 2 211.353 0.718 20 0 BCADLP C[C@@]1(C[NH2+]CC2([NH3+])CCC2)CCC[NH2+]C1 ZINC000904356094 584871215 /nfs/dbraw/zinc/87/12/15/584871215.db2.gz TZTBEPSPFGKCCN-LLVKDONJSA-N 3 2 211.353 0.847 20 0 BCADLP C([C@H]1CCSC1)N1CC[NH2+]CC[NH2+]CC1 ZINC000904397090 584875485 /nfs/dbraw/zinc/87/54/85/584875485.db2.gz YKHUFZHSYBTGCD-LLVKDONJSA-N 2 2 229.393 0.234 20 0 BCADLP [NH3+][C@@]1(CO)CCC[N@H+](CC2=CCCOC2)C1 ZINC000904406252 584878562 /nfs/dbraw/zinc/87/85/62/584878562.db2.gz DAFIEMLKXONBDR-LBPRGKRZSA-N 2 2 226.320 0.119 20 0 BCADLP [NH3+][C@@]1(CO)CCC[N@@H+](CC2=CCCOC2)C1 ZINC000904406252 584878563 /nfs/dbraw/zinc/87/85/63/584878563.db2.gz DAFIEMLKXONBDR-LBPRGKRZSA-N 2 2 226.320 0.119 20 0 BCADLP Cn1ccc(C[N@@H+]2CCC[C@]([NH3+])(CO)C2)c1 ZINC000904407169 584878820 /nfs/dbraw/zinc/87/88/20/584878820.db2.gz OZQITVLPCZXUDH-GFCCVEGCSA-N 2 2 223.320 0.311 20 0 BCADLP Cn1ccc(C[N@H+]2CCC[C@]([NH3+])(CO)C2)c1 ZINC000904407169 584878821 /nfs/dbraw/zinc/87/88/21/584878821.db2.gz OZQITVLPCZXUDH-GFCCVEGCSA-N 2 2 223.320 0.311 20 0 BCADLP Cc1ccc(CCC[NH2+][C@H]2CNOC2)c[nH+]1 ZINC000904424399 584880858 /nfs/dbraw/zinc/88/08/58/584880858.db2.gz RTVXIMPNRPIHCQ-LBPRGKRZSA-N 2 2 221.304 0.816 20 0 BCADLP Cn1ncc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)n1 ZINC000842474283 584897901 /nfs/dbraw/zinc/89/79/01/584897901.db2.gz MDKSRCBFHMVAKO-WCQYABFASA-N 2 2 249.362 0.779 20 0 BCADLP Cn1ncc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)n1 ZINC000842474283 584897902 /nfs/dbraw/zinc/89/79/02/584897902.db2.gz MDKSRCBFHMVAKO-WCQYABFASA-N 2 2 249.362 0.779 20 0 BCADLP CC(C)C1(O)C[NH+](CCc2c[nH+]cn2C)C1 ZINC000838973058 585083394 /nfs/dbraw/zinc/08/33/94/585083394.db2.gz PMCOJIHRUHSASM-UHFFFAOYSA-N 2 2 223.320 0.665 20 0 BCADLP [NH3+]CCC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000746306764 585167480 /nfs/dbraw/zinc/16/74/80/585167480.db2.gz UGMCPEPJQDKZBB-UHFFFAOYSA-N 2 2 245.286 0.232 20 0 BCADLP Cn1ncc2c1nc[nH+]c2N[NH2+]C1=CC(=O)CN1 ZINC000747633545 585181472 /nfs/dbraw/zinc/18/14/72/585181472.db2.gz SQINNSLZWKWDJV-UHFFFAOYSA-N 2 2 245.246 0.134 20 0 BCADLP C/C=C\C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000748749579 585195011 /nfs/dbraw/zinc/19/50/11/585195011.db2.gz CJWYMRSKAIIDHI-PLNGDYQASA-N 2 2 239.363 0.705 20 0 BCADLP C[N@@H+](Cc1cn[nH]c1)C[C@H](O)C[NH+]1CCCC1 ZINC000749366950 585201493 /nfs/dbraw/zinc/20/14/93/585201493.db2.gz XAWJNRQWNRWKDX-LBPRGKRZSA-N 2 2 238.335 0.298 20 0 BCADLP C[N@H+](Cc1cn[nH]c1)C[C@H](O)C[NH+]1CCCC1 ZINC000749366950 585201494 /nfs/dbraw/zinc/20/14/94/585201494.db2.gz XAWJNRQWNRWKDX-LBPRGKRZSA-N 2 2 238.335 0.298 20 0 BCADLP CC[NH+](CC)CCC[N@H+](CC)CC(=O)NC ZINC000754992048 585292850 /nfs/dbraw/zinc/29/28/50/585292850.db2.gz VTLKUAAETHUIGR-UHFFFAOYSA-N 2 2 229.368 0.786 20 0 BCADLP CC[NH+](CC)CCC[N@@H+](CC)CC(=O)NC ZINC000754992048 585292851 /nfs/dbraw/zinc/29/28/51/585292851.db2.gz VTLKUAAETHUIGR-UHFFFAOYSA-N 2 2 229.368 0.786 20 0 BCADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000764374323 585464204 /nfs/dbraw/zinc/46/42/04/585464204.db2.gz BJGUOUAROFOKLA-JTQLQIEISA-N 2 2 222.292 0.046 20 0 BCADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC000764374323 585464205 /nfs/dbraw/zinc/46/42/05/585464205.db2.gz BJGUOUAROFOKLA-JTQLQIEISA-N 2 2 222.292 0.046 20 0 BCADLP C[C@@H]1C[N@H+](CCF)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000764466478 585465811 /nfs/dbraw/zinc/46/58/11/585465811.db2.gz KQFONEBYEBCKMI-OLZOCXBDSA-N 2 2 243.370 0.914 20 0 BCADLP C[C@@H]1C[N@@H+](CCF)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000764466478 585465812 /nfs/dbraw/zinc/46/58/12/585465812.db2.gz KQFONEBYEBCKMI-OLZOCXBDSA-N 2 2 243.370 0.914 20 0 BCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000765767787 585492288 /nfs/dbraw/zinc/49/22/88/585492288.db2.gz HMJLOIZEQRKMER-VXGBXAGGSA-N 2 2 241.379 0.927 20 0 BCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000765767787 585492289 /nfs/dbraw/zinc/49/22/89/585492289.db2.gz HMJLOIZEQRKMER-VXGBXAGGSA-N 2 2 241.379 0.927 20 0 BCADLP CC[N@H+](CC[C@H]1CCC[NH+]1C)CC(=O)NC ZINC000767364919 585517769 /nfs/dbraw/zinc/51/77/69/585517769.db2.gz XTSSFYMUIYBTOW-LLVKDONJSA-N 2 2 227.352 0.539 20 0 BCADLP CC[N@@H+](CC[C@H]1CCC[NH+]1C)CC(=O)NC ZINC000767364919 585517770 /nfs/dbraw/zinc/51/77/70/585517770.db2.gz XTSSFYMUIYBTOW-LLVKDONJSA-N 2 2 227.352 0.539 20 0 BCADLP CC[NH+](CC[C@H]1CCC[N@@H+]1C)CC(=O)NC ZINC000767364919 585517771 /nfs/dbraw/zinc/51/77/71/585517771.db2.gz XTSSFYMUIYBTOW-LLVKDONJSA-N 2 2 227.352 0.539 20 0 BCADLP CC[NH+](CC[C@H]1CCC[N@H+]1C)CC(=O)NC ZINC000767364919 585517772 /nfs/dbraw/zinc/51/77/72/585517772.db2.gz XTSSFYMUIYBTOW-LLVKDONJSA-N 2 2 227.352 0.539 20 0 BCADLP CC(C)[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000769144825 585549975 /nfs/dbraw/zinc/54/99/75/585549975.db2.gz YBUJIBXACOOAIE-RYUDHWBXSA-N 2 2 241.379 0.735 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000769414766 585556207 /nfs/dbraw/zinc/55/62/07/585556207.db2.gz JTISEBVCIZGLEE-OLZOCXBDSA-N 2 2 244.379 0.705 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000769414766 585556208 /nfs/dbraw/zinc/55/62/08/585556208.db2.gz JTISEBVCIZGLEE-OLZOCXBDSA-N 2 2 244.379 0.705 20 0 BCADLP O=CN1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000774162317 585652404 /nfs/dbraw/zinc/65/24/04/585652404.db2.gz HPPUGXXWTCFOKB-LBPRGKRZSA-N 2 2 237.347 0.434 20 0 BCADLP O=CN1CCC([NH2+][C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000774162317 585652405 /nfs/dbraw/zinc/65/24/05/585652405.db2.gz HPPUGXXWTCFOKB-LBPRGKRZSA-N 2 2 237.347 0.434 20 0 BCADLP C[C@H](C[NH+]1CCOCC1)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000774736586 585664652 /nfs/dbraw/zinc/66/46/52/585664652.db2.gz FYHTZPUICUUYAF-QWHCGFSZSA-N 2 2 241.379 0.343 20 0 BCADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCO ZINC000779338159 585751443 /nfs/dbraw/zinc/75/14/43/585751443.db2.gz NPNCIOGAISQVOP-QWRGUYRKSA-N 2 2 200.326 0.831 20 0 BCADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCO ZINC000779338159 585751444 /nfs/dbraw/zinc/75/14/44/585751444.db2.gz NPNCIOGAISQVOP-QWRGUYRKSA-N 2 2 200.326 0.831 20 0 BCADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1nnnn1C1CC1 ZINC000792470353 586000928 /nfs/dbraw/zinc/00/09/28/586000928.db2.gz JYXRYRRBFBFOSE-VIFPVBQESA-N 2 2 247.306 0.555 20 0 BCADLP COC(=O)[C@H]1[C@@H]2C[N@@H+](CCn3cc[nH+]c3)C[C@@H]21 ZINC000794975549 586060255 /nfs/dbraw/zinc/06/02/55/586060255.db2.gz YYMBMGGAHZHIID-URLYPYJESA-N 2 2 235.287 0.234 20 0 BCADLP O=C1O[C@@H](C[N@@H+]2CCc3[nH+]c[nH]c3C2)CC12CC2 ZINC000859305515 589029561 /nfs/dbraw/zinc/02/95/61/589029561.db2.gz HJUMWBZOBYIINV-SECBINFHSA-N 2 2 247.298 0.864 20 0 BCADLP O=C1O[C@@H](C[N@H+]2CCc3[nH+]c[nH]c3C2)CC12CC2 ZINC000859305515 589029563 /nfs/dbraw/zinc/02/95/63/589029563.db2.gz HJUMWBZOBYIINV-SECBINFHSA-N 2 2 247.298 0.864 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N(C)C[C@@H](C)[NH3+] ZINC000859668776 589053610 /nfs/dbraw/zinc/05/36/10/589053610.db2.gz IEDVANGTNFAKFT-SECBINFHSA-N 2 2 222.292 0.623 20 0 BCADLP Cc1cc(NC(=O)N(C)C[C@H](C)[NH3+])cc[nH+]1 ZINC000859669721 589053910 /nfs/dbraw/zinc/05/39/10/589053910.db2.gz ZPVNRUIPGBCWAB-QMMMGPOBSA-N 2 2 222.292 0.623 20 0 BCADLP CN(C)c1cc[nH+]c(NCCc2cn(C)c[nH+]2)n1 ZINC000840327197 586650082 /nfs/dbraw/zinc/65/00/82/586650082.db2.gz MYUFOTMDWPQTIE-UHFFFAOYSA-N 2 2 246.318 0.931 20 0 BCADLP Cn1ncc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)n1 ZINC000816612376 586744922 /nfs/dbraw/zinc/74/49/22/586744922.db2.gz NGUZUGIECHZZGM-WCQYABFASA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)n1 ZINC000816612376 586744924 /nfs/dbraw/zinc/74/49/24/586744924.db2.gz NGUZUGIECHZZGM-WCQYABFASA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)n1 ZINC000816612376 586744925 /nfs/dbraw/zinc/74/49/25/586744925.db2.gz NGUZUGIECHZZGM-WCQYABFASA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)n1 ZINC000816612376 586744926 /nfs/dbraw/zinc/74/49/26/586744926.db2.gz NGUZUGIECHZZGM-WCQYABFASA-N 2 2 249.362 0.731 20 0 BCADLP CC[C@H](C)[N@H+](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000816915536 586770999 /nfs/dbraw/zinc/77/09/99/586770999.db2.gz CHXSKMRVWUPIKD-JTQLQIEISA-N 2 2 238.335 0.799 20 0 BCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000816915536 586771000 /nfs/dbraw/zinc/77/10/00/586771000.db2.gz CHXSKMRVWUPIKD-JTQLQIEISA-N 2 2 238.335 0.799 20 0 BCADLP CN(CCCn1cc[nH+]c1)C(=O)Cc1[nH]cc[nH+]1 ZINC000816949410 586773325 /nfs/dbraw/zinc/77/33/25/586773325.db2.gz VOQUKHWNTGJZGC-UHFFFAOYSA-N 2 2 247.302 0.697 20 0 BCADLP CC[C@@H]([NH2+]CCS(=O)(=O)CC)[C@@H]1CCC[NH2+]1 ZINC000817891175 586833236 /nfs/dbraw/zinc/83/32/36/586833236.db2.gz HCOJCOYHJKQKAK-MNOVXSKESA-N 2 2 248.392 0.541 20 0 BCADLP CC(C)S(=O)(=O)CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000817932579 586843180 /nfs/dbraw/zinc/84/31/80/586843180.db2.gz UDZKLJNLHGCXDE-GHMZBOCLSA-N 2 2 248.392 0.397 20 0 BCADLP CCn1nc(C)c(C[NH2+][C@H](C)C2C[NH2+]C2)n1 ZINC000818615048 586906766 /nfs/dbraw/zinc/90/67/66/586906766.db2.gz LBPFMMDGDQNLLI-MRVPVSSYSA-N 2 2 223.324 0.304 20 0 BCADLP C[C@@H](O)C[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000818948122 586916400 /nfs/dbraw/zinc/91/64/00/586916400.db2.gz YEYGBJMMSJWYTQ-SNVBAGLBSA-N 2 2 232.287 0.738 20 0 BCADLP C[C@H](O)C[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000818948121 586916563 /nfs/dbraw/zinc/91/65/63/586916563.db2.gz YEYGBJMMSJWYTQ-JTQLQIEISA-N 2 2 232.287 0.738 20 0 BCADLP CON(C)C(=O)CC[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000818976988 586918913 /nfs/dbraw/zinc/91/89/13/586918913.db2.gz PEIPNPINRWQSAX-JTQLQIEISA-N 2 2 241.335 0.223 20 0 BCADLP CON(C)C(=O)CC[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000818976988 586918915 /nfs/dbraw/zinc/91/89/15/586918915.db2.gz PEIPNPINRWQSAX-JTQLQIEISA-N 2 2 241.335 0.223 20 0 BCADLP CON(C)C(=O)CC[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000819021500 586924228 /nfs/dbraw/zinc/92/42/28/586924228.db2.gz PJVWXXBASNFHEE-SNVBAGLBSA-N 2 2 229.324 0.080 20 0 BCADLP CON(C)C(=O)CC[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000819021500 586924231 /nfs/dbraw/zinc/92/42/31/586924231.db2.gz PJVWXXBASNFHEE-SNVBAGLBSA-N 2 2 229.324 0.080 20 0 BCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)C1CC1 ZINC000819018246 586924596 /nfs/dbraw/zinc/92/45/96/586924596.db2.gz RKPHFNUZCSFPDF-OLZOCXBDSA-N 2 2 242.363 0.458 20 0 BCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)C1CC1 ZINC000819018246 586924597 /nfs/dbraw/zinc/92/45/97/586924597.db2.gz RKPHFNUZCSFPDF-OLZOCXBDSA-N 2 2 242.363 0.458 20 0 BCADLP O[C@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000819323321 586951466 /nfs/dbraw/zinc/95/14/66/586951466.db2.gz ZLEONSGIIXFJBB-BXKDBHETSA-N 2 2 221.304 0.628 20 0 BCADLP O[C@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000819323321 586951467 /nfs/dbraw/zinc/95/14/67/586951467.db2.gz ZLEONSGIIXFJBB-BXKDBHETSA-N 2 2 221.304 0.628 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC000822118976 587154244 /nfs/dbraw/zinc/15/42/44/587154244.db2.gz LOPVMQAKLGTPEU-UHFFFAOYSA-N 2 2 225.336 0.291 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000822154218 587156855 /nfs/dbraw/zinc/15/68/55/587156855.db2.gz BUXACCORPJVYBK-GHMZBOCLSA-N 2 2 248.330 0.695 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000822154218 587156856 /nfs/dbraw/zinc/15/68/56/587156856.db2.gz BUXACCORPJVYBK-GHMZBOCLSA-N 2 2 248.330 0.695 20 0 BCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000822860825 587189838 /nfs/dbraw/zinc/18/98/38/587189838.db2.gz CHPRWSLRIIZKBL-LLVKDONJSA-N 2 2 248.330 0.410 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000823663892 587235474 /nfs/dbraw/zinc/23/54/74/587235474.db2.gz NDOLXFBPOXDICH-VIFPVBQESA-N 2 2 234.303 0.305 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000823663892 587235476 /nfs/dbraw/zinc/23/54/76/587235476.db2.gz NDOLXFBPOXDICH-VIFPVBQESA-N 2 2 234.303 0.305 20 0 BCADLP C[NH+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000825566933 587325515 /nfs/dbraw/zinc/32/55/15/587325515.db2.gz CFLOBDKWXIOZLF-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)n1C ZINC000825629493 587328254 /nfs/dbraw/zinc/32/82/54/587328254.db2.gz XQKNVOMBVQMOET-PWSUYJOCSA-N 2 2 221.304 0.543 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)n1C ZINC000825629493 587328256 /nfs/dbraw/zinc/32/82/56/587328256.db2.gz XQKNVOMBVQMOET-PWSUYJOCSA-N 2 2 221.304 0.543 20 0 BCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)C1CC1 ZINC000825749336 587336735 /nfs/dbraw/zinc/33/67/35/587336735.db2.gz QTXYNCKBZFKWIX-SECBINFHSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)C1CC1 ZINC000825749336 587336736 /nfs/dbraw/zinc/33/67/36/587336736.db2.gz QTXYNCKBZFKWIX-SECBINFHSA-N 2 2 236.319 0.551 20 0 BCADLP CN(CC[NH+]1CCCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000826024036 587348681 /nfs/dbraw/zinc/34/86/81/587348681.db2.gz OZPAKAORLYCZKA-UHFFFAOYSA-N 2 2 236.319 0.506 20 0 BCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC[S@](C)=O)CC[C@H]21 ZINC000828011876 587416526 /nfs/dbraw/zinc/41/65/26/587416526.db2.gz YUGFFEWJTFYTRH-HSMVNMDESA-N 2 2 244.404 0.781 20 0 BCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC[S@](C)=O)CC[C@H]21 ZINC000828011876 587416527 /nfs/dbraw/zinc/41/65/27/587416527.db2.gz YUGFFEWJTFYTRH-HSMVNMDESA-N 2 2 244.404 0.781 20 0 BCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC[S@](C)=O)CC[C@H]21 ZINC000828011876 587416528 /nfs/dbraw/zinc/41/65/28/587416528.db2.gz YUGFFEWJTFYTRH-HSMVNMDESA-N 2 2 244.404 0.781 20 0 BCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC[S@](C)=O)CC[C@H]21 ZINC000828011876 587416529 /nfs/dbraw/zinc/41/65/29/587416529.db2.gz YUGFFEWJTFYTRH-HSMVNMDESA-N 2 2 244.404 0.781 20 0 BCADLP C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[N@@H+]1C1CC1 ZINC000829864001 587525817 /nfs/dbraw/zinc/52/58/17/587525817.db2.gz UZQGRJGWASYZRT-UWVGGRQHSA-N 2 2 248.330 0.694 20 0 BCADLP C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[N@H+]1C1CC1 ZINC000829864001 587525818 /nfs/dbraw/zinc/52/58/18/587525818.db2.gz UZQGRJGWASYZRT-UWVGGRQHSA-N 2 2 248.330 0.694 20 0 BCADLP CC[N@@H+]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000831142960 587587690 /nfs/dbraw/zinc/58/76/90/587587690.db2.gz XWQDEVJGRICNIS-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP CC[N@H+]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000831142960 587587691 /nfs/dbraw/zinc/58/76/91/587587691.db2.gz XWQDEVJGRICNIS-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000831555210 587618715 /nfs/dbraw/zinc/61/87/15/587618715.db2.gz KDZAQNBFHOUFLT-NXEZZACHSA-N 2 2 236.319 0.503 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000831555210 587618717 /nfs/dbraw/zinc/61/87/17/587618717.db2.gz KDZAQNBFHOUFLT-NXEZZACHSA-N 2 2 236.319 0.503 20 0 BCADLP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000832139781 587646063 /nfs/dbraw/zinc/64/60/63/587646063.db2.gz DXPZFJRPLMYEIZ-NXEZZACHSA-N 2 2 236.319 0.929 20 0 BCADLP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000832503385 587663952 /nfs/dbraw/zinc/66/39/52/587663952.db2.gz WRUQQRFZLBFGGP-NXEZZACHSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@@H](C[NH3+])C[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000841048825 587940230 /nfs/dbraw/zinc/94/02/30/587940230.db2.gz LZQFKAIBENNZKE-NSHDSACASA-N 2 2 245.330 0.952 20 0 BCADLP CCN(OC)C(=O)C[NH2+]Cc1c[nH+]cn1CC ZINC000842769546 588061207 /nfs/dbraw/zinc/06/12/07/588061207.db2.gz BFMFVPCCHOQMMA-UHFFFAOYSA-N 2 2 240.307 0.403 20 0 BCADLP C[NH2+]CCN(C)Cc1c[nH+]c2ccccn12 ZINC000843057397 588077893 /nfs/dbraw/zinc/07/78/93/588077893.db2.gz KDDOVKOSPNENQB-UHFFFAOYSA-N 2 2 218.304 0.986 20 0 BCADLP Cn1c[nH+]cc1Cc1noc(CC2([NH3+])CCC2)n1 ZINC000843200931 588093290 /nfs/dbraw/zinc/09/32/90/588093290.db2.gz UZMRJMNWPHQSDK-UHFFFAOYSA-N 2 2 247.302 0.818 20 0 BCADLP C[C@@H]([NH2+]CCC[NH3+])c1nnnn1C1CC1 ZINC000843364355 588104287 /nfs/dbraw/zinc/10/42/87/588104287.db2.gz DQGISCZAOYEJGH-SSDOTTSWSA-N 2 2 210.285 0.007 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000843487931 588114861 /nfs/dbraw/zinc/11/48/61/588114861.db2.gz MHWRBNRYDAYBMY-NSHDSACASA-N 2 2 240.282 0.080 20 0 BCADLP CC[NH2+]CC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000844177418 588172232 /nfs/dbraw/zinc/17/22/32/588172232.db2.gz IQNXMKWDFMSVGI-UHFFFAOYSA-N 2 2 247.342 0.728 20 0 BCADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000846216105 588260500 /nfs/dbraw/zinc/26/05/00/588260500.db2.gz PMYAKGFMGKJFRJ-NSHDSACASA-N 2 2 234.347 1.000 20 0 BCADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000846216105 588260501 /nfs/dbraw/zinc/26/05/01/588260501.db2.gz PMYAKGFMGKJFRJ-NSHDSACASA-N 2 2 234.347 1.000 20 0 BCADLP C[C@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)(C)C1 ZINC000846670471 588281799 /nfs/dbraw/zinc/28/17/99/588281799.db2.gz CNYLNPOQKLOXKF-MNOVXSKESA-N 2 2 241.379 0.912 20 0 BCADLP CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000846667839 588281836 /nfs/dbraw/zinc/28/18/36/588281836.db2.gz DWSXEEVKQQSNCI-SNVBAGLBSA-N 2 2 215.341 0.522 20 0 BCADLP CON1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000846978976 588300117 /nfs/dbraw/zinc/30/01/17/588300117.db2.gz OKZRZMYPMKZSFB-UHFFFAOYSA-N 2 2 224.308 0.452 20 0 BCADLP C[C@H](O)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848550381 588396114 /nfs/dbraw/zinc/39/61/14/588396114.db2.gz KYLNMEDCGHKIPR-GVXVVHGQSA-N 2 2 242.363 0.599 20 0 BCADLP [NH2+]=C(NCCCn1cc[nH+]c1)NC1CCC1 ZINC000848980377 588423123 /nfs/dbraw/zinc/42/31/23/588423123.db2.gz FVLSCSZXYVPEON-UHFFFAOYSA-N 2 2 221.308 0.940 20 0 BCADLP CNC(=[NH2+])NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000848983489 588424559 /nfs/dbraw/zinc/42/45/59/588424559.db2.gz YQGQAEYLVPSMPE-UWVGGRQHSA-N 2 2 242.367 0.618 20 0 BCADLP CNC(=[NH2+])NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848983487 588424709 /nfs/dbraw/zinc/42/47/09/588424709.db2.gz YQGQAEYLVPSMPE-AOOOYVTPSA-N 2 2 242.367 0.618 20 0 BCADLP CNC(=[NH2+])NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848983487 588424710 /nfs/dbraw/zinc/42/47/10/588424710.db2.gz YQGQAEYLVPSMPE-AOOOYVTPSA-N 2 2 242.367 0.618 20 0 BCADLP CCNC(=[NH2+])NCc1c[nH+]c2n1CCCC2 ZINC000849002678 588431437 /nfs/dbraw/zinc/43/14/37/588431437.db2.gz YMJJFNIWWBURDS-UHFFFAOYSA-N 2 2 221.308 0.853 20 0 BCADLP CC1CCN(C(=[NH2+])NCC[NH+]2CCC2)CC1 ZINC000849014713 588436377 /nfs/dbraw/zinc/43/63/77/588436377.db2.gz UKULGRPKNBTGPK-UHFFFAOYSA-N 2 2 224.352 0.948 20 0 BCADLP COC[C@@H](C)NC(=[NH2+])NCCc1cn(C)c[nH+]1 ZINC000849040077 588447360 /nfs/dbraw/zinc/44/73/60/588447360.db2.gz JJCRGIROLMNGLJ-SECBINFHSA-N 2 2 239.323 0.111 20 0 BCADLP C[C@@H]([NH3+])c1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000849148980 588455843 /nfs/dbraw/zinc/45/58/43/588455843.db2.gz ARAMUZMBUAPMPC-SSDOTTSWSA-N 2 2 219.248 0.174 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000850440123 588546428 /nfs/dbraw/zinc/54/64/28/588546428.db2.gz WOIVUVRIMIYLCK-NWDGAFQWSA-N 2 2 237.351 0.741 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000850440123 588546429 /nfs/dbraw/zinc/54/64/29/588546429.db2.gz WOIVUVRIMIYLCK-NWDGAFQWSA-N 2 2 237.351 0.741 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000851660821 588613621 /nfs/dbraw/zinc/61/36/21/588613621.db2.gz ZXQBAUOSPMQMHA-UHFFFAOYSA-N 2 2 249.318 0.053 20 0 BCADLP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000851660968 588613637 /nfs/dbraw/zinc/61/36/37/588613637.db2.gz CFNKXJMXZBUSAK-IUCAKERBSA-N 2 2 237.307 0.235 20 0 BCADLP Fc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000851731743 588619531 /nfs/dbraw/zinc/61/95/31/588619531.db2.gz AZRKTCTXSIUGQU-NXEZZACHSA-N 2 2 221.279 0.872 20 0 BCADLP Fc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000851731745 588619696 /nfs/dbraw/zinc/61/96/96/588619696.db2.gz AZRKTCTXSIUGQU-UWVGGRQHSA-N 2 2 221.279 0.872 20 0 BCADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000852417745 588681603 /nfs/dbraw/zinc/68/16/03/588681603.db2.gz XBMVYZCPSCXPEO-WDEREUQCSA-N 2 2 242.319 0.002 20 0 BCADLP C[N@H+](C[C@H]1C[NH2+]CCO1)C1CCC([NH3+])CC1 ZINC000852741624 588698417 /nfs/dbraw/zinc/69/84/17/588698417.db2.gz XBZVHHRDVMNMNY-HTAVTVPLSA-N 3 2 227.352 0.177 20 0 BCADLP C[N@@H+](C[C@H]1C[NH2+]CCO1)C1CCC([NH3+])CC1 ZINC000852741624 588698418 /nfs/dbraw/zinc/69/84/18/588698418.db2.gz XBZVHHRDVMNMNY-HTAVTVPLSA-N 3 2 227.352 0.177 20 0 BCADLP c1ccc([C@@H]2CC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)nc1 ZINC000852750223 588699873 /nfs/dbraw/zinc/69/98/73/588699873.db2.gz ONISAQTVKNWIBH-OLZOCXBDSA-N 2 2 247.342 0.859 20 0 BCADLP C[NH+](C)CCC[C@H]1C[N@H+](CCF)CCO1 ZINC000852760643 588700995 /nfs/dbraw/zinc/70/09/95/588700995.db2.gz JYUCEXMCAGGYOJ-NSHDSACASA-N 2 2 218.316 0.999 20 0 BCADLP C[NH+](C)CCC[C@H]1C[N@@H+](CCF)CCO1 ZINC000852760643 588700996 /nfs/dbraw/zinc/70/09/96/588700996.db2.gz JYUCEXMCAGGYOJ-NSHDSACASA-N 2 2 218.316 0.999 20 0 BCADLP Cn1cc[nH+]c1[C@H]1N(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1(C)C ZINC000852873138 588709681 /nfs/dbraw/zinc/70/96/81/588709681.db2.gz PPRZSQUYHDXFGB-KXUCPTDWSA-N 2 2 248.330 0.677 20 0 BCADLP C[NH2+]CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000852875360 588710084 /nfs/dbraw/zinc/71/00/84/588710084.db2.gz WFQPHFRQYCMYDE-UHFFFAOYSA-N 2 2 246.314 0.934 20 0 BCADLP CCn1cc[nH+]c1CNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861635725 589171647 /nfs/dbraw/zinc/17/16/47/589171647.db2.gz SQOKEMGHYIAAIJ-SECBINFHSA-N 2 2 239.323 0.392 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000861913025 589183619 /nfs/dbraw/zinc/18/36/19/589183619.db2.gz XABGKNCWNQWDQC-IWIIMEHWSA-N 2 2 248.330 0.279 20 0 BCADLP C[NH2+]CCOCC[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000863544506 589298156 /nfs/dbraw/zinc/29/81/56/589298156.db2.gz WDWMGJYOKVQYMX-NSHDSACASA-N 2 2 238.335 0.613 20 0 BCADLP CCN(C)C(=O)CC[N@H+](C)C[C@H](C)[NH3+] ZINC000863567028 589299262 /nfs/dbraw/zinc/29/92/62/589299262.db2.gz AXDBXPKKRQQRML-VIFPVBQESA-N 2 2 201.314 0.134 20 0 BCADLP CCN(C)C(=O)CC[N@@H+](C)C[C@H](C)[NH3+] ZINC000863567028 589299263 /nfs/dbraw/zinc/29/92/63/589299263.db2.gz AXDBXPKKRQQRML-VIFPVBQESA-N 2 2 201.314 0.134 20 0 BCADLP O[C@@H](C[NH2+]Cc1c[nH+]c[nH]1)[C@@H]1CCCO1 ZINC000864049961 589334910 /nfs/dbraw/zinc/33/49/10/589334910.db2.gz PKYYCEXMCQLNLR-UWVGGRQHSA-N 2 2 211.265 0.039 20 0 BCADLP O[C@H](C[NH2+]Cc1c[nH+]c[nH]1)[C@H]1CCCO1 ZINC000864049960 589334937 /nfs/dbraw/zinc/33/49/37/589334937.db2.gz PKYYCEXMCQLNLR-NXEZZACHSA-N 2 2 211.265 0.039 20 0 BCADLP C[C@H]1C[C@H]1NC(=[NH2+])NCCn1cc[nH+]c1 ZINC000864452215 589365089 /nfs/dbraw/zinc/36/50/89/589365089.db2.gz NOJIFXMPMXALKL-DTWKUNHWSA-N 2 2 207.281 0.405 20 0 BCADLP C[C@@H]1C[C@H]1NC(=[NH2+])NCCn1cc[nH+]c1 ZINC000864452217 589365103 /nfs/dbraw/zinc/36/51/03/589365103.db2.gz NOJIFXMPMXALKL-RKDXNWHRSA-N 2 2 207.281 0.405 20 0 BCADLP COCC[N@H+](C)CCNC(=[NH2+])NCCC1CC1 ZINC000864458339 589368019 /nfs/dbraw/zinc/36/80/19/589368019.db2.gz YLITXZUOLXUEPF-UHFFFAOYSA-N 2 2 242.367 0.479 20 0 BCADLP COCC[N@@H+](C)CCNC(=[NH2+])NCCC1CC1 ZINC000864458339 589368021 /nfs/dbraw/zinc/36/80/21/589368021.db2.gz YLITXZUOLXUEPF-UHFFFAOYSA-N 2 2 242.367 0.479 20 0 BCADLP CC[C@@H]1CCN(C(=[NH2+])NCC[NH+]2CCC2)C1 ZINC000864461876 589369282 /nfs/dbraw/zinc/36/92/82/589369282.db2.gz SYTXKKMFKRDQFD-LLVKDONJSA-N 2 2 224.352 0.948 20 0 BCADLP Cc1cccn2c(C[NH2+]C[C@@H](O)[C@H](C)O)c[nH+]c12 ZINC000865738678 589459704 /nfs/dbraw/zinc/45/97/04/589459704.db2.gz JCSPCQWZGLPVKF-CMPLNLGQSA-N 2 2 249.314 0.474 20 0 BCADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCOC2)C1 ZINC000866413336 589491228 /nfs/dbraw/zinc/49/12/28/589491228.db2.gz HKOOHIWPEJTQDR-RYUDHWBXSA-N 2 2 242.363 0.600 20 0 BCADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+][C@H]2CCCOC2)C1 ZINC000866413336 589491229 /nfs/dbraw/zinc/49/12/29/589491229.db2.gz HKOOHIWPEJTQDR-RYUDHWBXSA-N 2 2 242.363 0.600 20 0 BCADLP CC[C@H](COC)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866414347 589491912 /nfs/dbraw/zinc/49/19/12/589491912.db2.gz NMNOVIYDVKPRMJ-NEPJUHHUSA-N 2 2 244.379 0.846 20 0 BCADLP CC[C@H](COC)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866414347 589491913 /nfs/dbraw/zinc/49/19/13/589491913.db2.gz NMNOVIYDVKPRMJ-NEPJUHHUSA-N 2 2 244.379 0.846 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC000866668232 589507673 /nfs/dbraw/zinc/50/76/73/589507673.db2.gz NXQOUKXKZUINMQ-IUCAKERBSA-N 2 2 209.297 0.044 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC000866668232 589507674 /nfs/dbraw/zinc/50/76/74/589507674.db2.gz NXQOUKXKZUINMQ-IUCAKERBSA-N 2 2 209.297 0.044 20 0 BCADLP CC1(C)CC[C@H](C[N@H+](CC[NH3+])CCO)OC1 ZINC000866661902 589508961 /nfs/dbraw/zinc/50/89/61/589508961.db2.gz WODUVKRRSPHBRF-LLVKDONJSA-N 2 2 230.352 0.445 20 0 BCADLP CC1(C)CC[C@H](C[N@@H+](CC[NH3+])CCO)OC1 ZINC000866661902 589508962 /nfs/dbraw/zinc/50/89/62/589508962.db2.gz WODUVKRRSPHBRF-LLVKDONJSA-N 2 2 230.352 0.445 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCc1ccc(C(N)=O)cc1 ZINC000866665980 589509426 /nfs/dbraw/zinc/50/94/26/589509426.db2.gz JUHUUMOKRJZFAX-GWCFXTLKSA-N 2 2 247.342 0.750 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCc1ccc(C(N)=O)cc1 ZINC000866665980 589509427 /nfs/dbraw/zinc/50/94/27/589509427.db2.gz JUHUUMOKRJZFAX-GWCFXTLKSA-N 2 2 247.342 0.750 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2cc[nH+]cc2O)C1 ZINC000870884463 589694713 /nfs/dbraw/zinc/69/47/13/589694713.db2.gz XXODHTZGFSDPIU-RKDXNWHRSA-N 2 2 235.287 0.665 20 0 BCADLP O=C(CCC12CC(C1)C[NH2+]2)NCCn1cc[nH+]c1 ZINC000870915726 589696823 /nfs/dbraw/zinc/69/68/23/589696823.db2.gz RDJQHHKPZTXGDE-UHFFFAOYSA-N 2 2 248.330 0.532 20 0 BCADLP C[C@H]([NH3+])CC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000871021013 589712699 /nfs/dbraw/zinc/71/26/99/589712699.db2.gz NWMPBGRBSQVKQI-JTQLQIEISA-N 2 2 248.330 0.597 20 0 BCADLP C[NH2+][C@@H](C)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000871019866 589713032 /nfs/dbraw/zinc/71/30/32/589713032.db2.gz FLEVDCNXFUFANO-JTQLQIEISA-N 2 2 248.330 0.468 20 0 BCADLP CC(C)OC[C@H](O)C[NH2+]CCCn1cc[nH+]c1 ZINC000871964875 589847508 /nfs/dbraw/zinc/84/75/08/589847508.db2.gz FIKLYVSISMOZLX-GFCCVEGCSA-N 2 2 241.335 0.649 20 0 BCADLP CC1(C)CO[C@H](C[N@H+](CC[NH3+])CCO)C1 ZINC000872142717 589883694 /nfs/dbraw/zinc/88/36/94/589883694.db2.gz BFUIEJVUVCRIMH-JTQLQIEISA-N 2 2 216.325 0.055 20 0 BCADLP CC1(C)CO[C@H](C[N@@H+](CC[NH3+])CCO)C1 ZINC000872142717 589883696 /nfs/dbraw/zinc/88/36/96/589883696.db2.gz BFUIEJVUVCRIMH-JTQLQIEISA-N 2 2 216.325 0.055 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872201371 589890314 /nfs/dbraw/zinc/89/03/14/589890314.db2.gz YLTWNOOJCGUOPL-MNOVXSKESA-N 2 2 241.335 0.383 20 0 BCADLP CC[NH2+]CC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000872314503 589910290 /nfs/dbraw/zinc/91/02/90/589910290.db2.gz GOXCLXDSOUVTER-UHFFFAOYSA-N 2 2 248.330 0.470 20 0 BCADLP Cc1nc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cc[nH+]1 ZINC000872758321 589966645 /nfs/dbraw/zinc/96/66/45/589966645.db2.gz XYFZJKXQXXAUMO-NWDGAFQWSA-N 2 2 248.330 0.430 20 0 BCADLP Cc1nc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)cc[nH+]1 ZINC000872758321 589966646 /nfs/dbraw/zinc/96/66/46/589966646.db2.gz XYFZJKXQXXAUMO-NWDGAFQWSA-N 2 2 248.330 0.430 20 0 BCADLP Nc1cnc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000873200393 589992713 /nfs/dbraw/zinc/99/27/13/589992713.db2.gz AGXSENOIKHWPBB-SECBINFHSA-N 2 2 221.308 0.230 20 0 BCADLP Nc1cnc(C[N@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000873200393 589992714 /nfs/dbraw/zinc/99/27/14/589992714.db2.gz AGXSENOIKHWPBB-SECBINFHSA-N 2 2 221.308 0.230 20 0 BCADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cnc(N)cn1 ZINC000873212681 589996135 /nfs/dbraw/zinc/99/61/35/589996135.db2.gz OUPCFLKKFHUWNO-VIFPVBQESA-N 2 2 223.324 0.522 20 0 BCADLP Cn1nccc1C[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230189 590002023 /nfs/dbraw/zinc/00/20/23/590002023.db2.gz NGJKAZYSGOUDIP-NWDGAFQWSA-N 2 2 220.320 0.794 20 0 BCADLP Cn1nccc1C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC000873230188 590002237 /nfs/dbraw/zinc/00/22/37/590002237.db2.gz NGJKAZYSGOUDIP-NEPJUHHUSA-N 2 2 220.320 0.794 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873249912 590007224 /nfs/dbraw/zinc/00/72/24/590007224.db2.gz NJBFRJMLWBJZJZ-WISYIIOYSA-N 3 2 227.352 0.080 20 0 BCADLP [NH3+][C@H]1C[C@@H](C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000873248664 590007512 /nfs/dbraw/zinc/00/75/12/590007512.db2.gz DDFYVJLFUDYKAL-GWNIPJSYSA-N 3 2 239.363 0.080 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254434 590010015 /nfs/dbraw/zinc/01/00/15/590010015.db2.gz TVWPPJKUYZSHDC-MEWQQHAOSA-N 3 2 223.364 0.796 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254434 590010016 /nfs/dbraw/zinc/01/00/16/590010016.db2.gz TVWPPJKUYZSHDC-MEWQQHAOSA-N 3 2 223.364 0.796 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257506 590012266 /nfs/dbraw/zinc/01/22/66/590012266.db2.gz TVWPPJKUYZSHDC-PRULPYPASA-N 3 2 223.364 0.796 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257506 590012269 /nfs/dbraw/zinc/01/22/69/590012269.db2.gz TVWPPJKUYZSHDC-PRULPYPASA-N 3 2 223.364 0.796 20 0 BCADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000873271979 590016320 /nfs/dbraw/zinc/01/63/20/590016320.db2.gz OBCOLGDCNRJSFB-GVXVVHGQSA-N 3 2 225.380 0.914 20 0 BCADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000873271979 590016321 /nfs/dbraw/zinc/01/63/21/590016321.db2.gz OBCOLGDCNRJSFB-GVXVVHGQSA-N 3 2 225.380 0.914 20 0 BCADLP Cc1nonc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000873295520 590024349 /nfs/dbraw/zinc/02/43/49/590024349.db2.gz JFZRWKGVWLZMIU-DTWKUNHWSA-N 2 2 210.281 0.595 20 0 BCADLP Cc1nonc1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000873295533 590024478 /nfs/dbraw/zinc/02/44/78/590024478.db2.gz JLCFUZGSMYKXIV-WPRPVWTQSA-N 2 2 224.308 0.856 20 0 BCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C2CC2)CC1 ZINC000874239078 590097714 /nfs/dbraw/zinc/09/77/14/590097714.db2.gz VFBMFKIHZKCAOT-UHFFFAOYSA-N 2 2 237.347 0.389 20 0 BCADLP O=C(C[NH+]1CCCC1)NCCc1[nH]cc[nH+]1 ZINC000874451514 590111780 /nfs/dbraw/zinc/11/17/80/590111780.db2.gz GMSYISRTLGVMPQ-UHFFFAOYSA-N 2 2 222.292 0.164 20 0 BCADLP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC000874831275 590144139 /nfs/dbraw/zinc/14/41/39/590144139.db2.gz YYWSYVCXUOHKFB-QWRGUYRKSA-N 2 2 248.330 0.647 20 0 BCADLP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC000874831275 590144141 /nfs/dbraw/zinc/14/41/41/590144141.db2.gz YYWSYVCXUOHKFB-QWRGUYRKSA-N 2 2 248.330 0.647 20 0 BCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccoc1 ZINC000125903464 590196658 /nfs/dbraw/zinc/19/66/58/590196658.db2.gz JADAVEOJZOGLQY-LLVKDONJSA-N 2 2 212.293 0.682 20 0 BCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000876764156 590239554 /nfs/dbraw/zinc/23/95/54/590239554.db2.gz KMGOPTYSOXLGGM-JAFKPYBISA-N 2 2 234.303 0.438 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876779258 590240433 /nfs/dbraw/zinc/24/04/33/590240433.db2.gz YYWGQNGDDABHDH-WYGGZMRJSA-N 2 2 248.330 0.890 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876779259 590240510 /nfs/dbraw/zinc/24/05/10/590240510.db2.gz YYWGQNGDDABHDH-ZWNMCFTASA-N 2 2 248.330 0.890 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876872127 590252034 /nfs/dbraw/zinc/25/20/34/590252034.db2.gz RMSARWAUMVMDRG-KOLCDFICSA-N 2 2 234.303 0.081 20 0 BCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000876957136 590260773 /nfs/dbraw/zinc/26/07/73/590260773.db2.gz UZQWISQWSCOLQX-YZKQYGISSA-N 2 2 248.330 0.780 20 0 BCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000876957136 590260774 /nfs/dbraw/zinc/26/07/74/590260774.db2.gz UZQWISQWSCOLQX-YZKQYGISSA-N 2 2 248.330 0.780 20 0 BCADLP C[N@@H+]1CC[C@H]([NH2+]C2CC(n3cccn3)C2)C1 ZINC000877019220 590269229 /nfs/dbraw/zinc/26/92/29/590269229.db2.gz IGAKFXNYKWFOCK-UNXYVOJBSA-N 2 2 220.320 0.880 20 0 BCADLP C[N@H+]1CC[C@H]([NH2+]C2CC(n3cccn3)C2)C1 ZINC000877019220 590269230 /nfs/dbraw/zinc/26/92/30/590269230.db2.gz IGAKFXNYKWFOCK-UNXYVOJBSA-N 2 2 220.320 0.880 20 0 BCADLP CC[C@H](C(=O)NC1=[NH+]CCS1)[NH+](C)C ZINC000126373081 590294596 /nfs/dbraw/zinc/29/45/96/590294596.db2.gz XVDMYVUEJDSKFF-SSDOTTSWSA-N 2 2 215.322 0.546 20 0 BCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000877233646 590301737 /nfs/dbraw/zinc/30/17/37/590301737.db2.gz ZMFACTPXBPSRCY-YIZUVKHSSA-N 2 2 248.330 0.780 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000877233295 590302006 /nfs/dbraw/zinc/30/20/06/590302006.db2.gz QVCMJNJCKQQHFE-IUCAKERBSA-N 2 2 236.319 0.742 20 0 BCADLP C[N@@H+]1CCn2nc(NC(=O)[C@H]3C[C@@H]([NH3+])C3)cc2C1 ZINC000877266988 590304927 /nfs/dbraw/zinc/30/49/27/590304927.db2.gz WFZHJTZAGJNHAL-DTORHVGOSA-N 2 2 249.318 0.004 20 0 BCADLP C[N@H+]1CCn2nc(NC(=O)[C@H]3C[C@@H]([NH3+])C3)cc2C1 ZINC000877266988 590304928 /nfs/dbraw/zinc/30/49/28/590304928.db2.gz WFZHJTZAGJNHAL-DTORHVGOSA-N 2 2 249.318 0.004 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)c[nH+]1 ZINC000877391706 590322203 /nfs/dbraw/zinc/32/22/03/590322203.db2.gz XILVGKJMKOLMCK-CMPLNLGQSA-N 2 2 234.303 0.733 20 0 BCADLP CN(Cc1c[nH+]cn1C)[C@H](C[NH3+])C1CC1 ZINC000126549632 590336994 /nfs/dbraw/zinc/33/69/94/590336994.db2.gz OLUSHNATWQEWGB-LLVKDONJSA-N 2 2 208.309 0.589 20 0 BCADLP COC(=O)C1CC([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000877723625 590402301 /nfs/dbraw/zinc/40/23/01/590402301.db2.gz NCAPSIFYNWEUOE-UHFFFAOYSA-N 2 2 249.314 0.871 20 0 BCADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cn[nH]c3)CC[C@H]21 ZINC000877739974 590406814 /nfs/dbraw/zinc/40/68/14/590406814.db2.gz PWELBSGCLCQFDL-NWDGAFQWSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cn[nH]c3)CC[C@H]21 ZINC000877739974 590406815 /nfs/dbraw/zinc/40/68/15/590406815.db2.gz PWELBSGCLCQFDL-NWDGAFQWSA-N 2 2 220.320 0.936 20 0 BCADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cn[nH]c3)CC[C@H]21 ZINC000877739974 590406817 /nfs/dbraw/zinc/40/68/17/590406817.db2.gz PWELBSGCLCQFDL-NWDGAFQWSA-N 2 2 220.320 0.936 20 0 BCADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cn[nH]c3)CC[C@H]21 ZINC000877739974 590406819 /nfs/dbraw/zinc/40/68/19/590406819.db2.gz PWELBSGCLCQFDL-NWDGAFQWSA-N 2 2 220.320 0.936 20 0 BCADLP Cn1nccc1C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877744062 590410643 /nfs/dbraw/zinc/41/06/43/590410643.db2.gz OJHBJEAONIKEPV-YPMHNXCESA-N 2 2 234.347 0.946 20 0 BCADLP Cn1nccc1C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877744062 590410645 /nfs/dbraw/zinc/41/06/45/590410645.db2.gz OJHBJEAONIKEPV-YPMHNXCESA-N 2 2 234.347 0.946 20 0 BCADLP Cn1nccc1C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877744062 590410647 /nfs/dbraw/zinc/41/06/47/590410647.db2.gz OJHBJEAONIKEPV-YPMHNXCESA-N 2 2 234.347 0.946 20 0 BCADLP Cn1nccc1C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877744062 590410649 /nfs/dbraw/zinc/41/06/49/590410649.db2.gz OJHBJEAONIKEPV-YPMHNXCESA-N 2 2 234.347 0.946 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc[nH]n3)CC[C@@H]21 ZINC000877744665 590411626 /nfs/dbraw/zinc/41/16/26/590411626.db2.gz WNJRIQFWTMVGTJ-PWSUYJOCSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc[nH]n3)CC[C@@H]21 ZINC000877744665 590411629 /nfs/dbraw/zinc/41/16/29/590411629.db2.gz WNJRIQFWTMVGTJ-PWSUYJOCSA-N 2 2 220.320 0.936 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc[nH]n3)CC[C@@H]21 ZINC000877744665 590411631 /nfs/dbraw/zinc/41/16/31/590411631.db2.gz WNJRIQFWTMVGTJ-PWSUYJOCSA-N 2 2 220.320 0.936 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc[nH]n3)CC[C@@H]21 ZINC000877744665 590411633 /nfs/dbraw/zinc/41/16/33/590411633.db2.gz WNJRIQFWTMVGTJ-PWSUYJOCSA-N 2 2 220.320 0.936 20 0 BCADLP Cn1c[nH+]cc1CC[NH2+][C@]1(C)CCOC1=O ZINC000878633275 590598121 /nfs/dbraw/zinc/59/81/21/590598121.db2.gz WXPHQJLGFVIOFG-LLVKDONJSA-N 2 2 223.276 0.258 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](O)C1(C)C ZINC000878635249 590598259 /nfs/dbraw/zinc/59/82/59/590598259.db2.gz URXWOMKTUMPUAD-NSHDSACASA-N 2 2 223.320 0.808 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](O)C1(C)C ZINC000878635249 590598261 /nfs/dbraw/zinc/59/82/61/590598261.db2.gz URXWOMKTUMPUAD-NSHDSACASA-N 2 2 223.320 0.808 20 0 BCADLP CC(=O)CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879568583 590805399 /nfs/dbraw/zinc/80/53/99/590805399.db2.gz BSZOQYBQVYZQGX-NEPJUHHUSA-N 2 2 210.321 0.992 20 0 BCADLP CC(=O)CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879568583 590805402 /nfs/dbraw/zinc/80/54/02/590805402.db2.gz BSZOQYBQVYZQGX-NEPJUHHUSA-N 2 2 210.321 0.992 20 0 BCADLP CC(=O)CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879568583 590805405 /nfs/dbraw/zinc/80/54/05/590805405.db2.gz BSZOQYBQVYZQGX-NEPJUHHUSA-N 2 2 210.321 0.992 20 0 BCADLP CC(=O)CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879568583 590805407 /nfs/dbraw/zinc/80/54/07/590805407.db2.gz BSZOQYBQVYZQGX-NEPJUHHUSA-N 2 2 210.321 0.992 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879567201 590805474 /nfs/dbraw/zinc/80/54/74/590805474.db2.gz NPFXNQIGZVDCDA-UTUOFQBUSA-N 2 2 239.363 0.489 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879567201 590805477 /nfs/dbraw/zinc/80/54/77/590805477.db2.gz NPFXNQIGZVDCDA-UTUOFQBUSA-N 2 2 239.363 0.489 20 0 BCADLP C[C@H](C(=O)N(C)C)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879567201 590805481 /nfs/dbraw/zinc/80/54/81/590805481.db2.gz NPFXNQIGZVDCDA-UTUOFQBUSA-N 2 2 239.363 0.489 20 0 BCADLP C[C@H](C(=O)N(C)C)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879567201 590805485 /nfs/dbraw/zinc/80/54/85/590805485.db2.gz NPFXNQIGZVDCDA-UTUOFQBUSA-N 2 2 239.363 0.489 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879567426 590806185 /nfs/dbraw/zinc/80/61/85/590806185.db2.gz QHTYPPVSNQKORI-NWDGAFQWSA-N 2 2 239.363 0.537 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879567426 590806188 /nfs/dbraw/zinc/80/61/88/590806188.db2.gz QHTYPPVSNQKORI-NWDGAFQWSA-N 2 2 239.363 0.537 20 0 BCADLP CC(C)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879567426 590806191 /nfs/dbraw/zinc/80/61/91/590806191.db2.gz QHTYPPVSNQKORI-NWDGAFQWSA-N 2 2 239.363 0.537 20 0 BCADLP CC(C)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879567426 590806193 /nfs/dbraw/zinc/80/61/93/590806193.db2.gz QHTYPPVSNQKORI-NWDGAFQWSA-N 2 2 239.363 0.537 20 0 BCADLP CCN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570333 590806338 /nfs/dbraw/zinc/80/63/38/590806338.db2.gz GUPRADCCJNOJDN-RYUDHWBXSA-N 2 2 239.363 0.491 20 0 BCADLP CCN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570333 590806339 /nfs/dbraw/zinc/80/63/39/590806339.db2.gz GUPRADCCJNOJDN-RYUDHWBXSA-N 2 2 239.363 0.491 20 0 BCADLP CCN(C)C(=O)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879570333 590806340 /nfs/dbraw/zinc/80/63/40/590806340.db2.gz GUPRADCCJNOJDN-RYUDHWBXSA-N 2 2 239.363 0.491 20 0 BCADLP CCN(C)C(=O)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879570333 590806342 /nfs/dbraw/zinc/80/63/42/590806342.db2.gz GUPRADCCJNOJDN-RYUDHWBXSA-N 2 2 239.363 0.491 20 0 BCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879570534 590806883 /nfs/dbraw/zinc/80/68/83/590806883.db2.gz GUPRADCCJNOJDN-VXGBXAGGSA-N 2 2 239.363 0.491 20 0 BCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879570534 590806887 /nfs/dbraw/zinc/80/68/87/590806887.db2.gz GUPRADCCJNOJDN-VXGBXAGGSA-N 2 2 239.363 0.491 20 0 BCADLP CCN(C)C(=O)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879570534 590806889 /nfs/dbraw/zinc/80/68/89/590806889.db2.gz GUPRADCCJNOJDN-VXGBXAGGSA-N 2 2 239.363 0.491 20 0 BCADLP CCN(C)C(=O)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879570534 590806894 /nfs/dbraw/zinc/80/68/94/590806894.db2.gz GUPRADCCJNOJDN-VXGBXAGGSA-N 2 2 239.363 0.491 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879567747 590808099 /nfs/dbraw/zinc/80/80/99/590808099.db2.gz VCMZAZUYONTSQC-QWRGUYRKSA-N 2 2 225.336 0.149 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879567747 590808101 /nfs/dbraw/zinc/80/81/01/590808101.db2.gz VCMZAZUYONTSQC-QWRGUYRKSA-N 2 2 225.336 0.149 20 0 BCADLP CCNC(=O)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879567747 590808103 /nfs/dbraw/zinc/80/81/03/590808103.db2.gz VCMZAZUYONTSQC-QWRGUYRKSA-N 2 2 225.336 0.149 20 0 BCADLP CCNC(=O)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879567747 590808105 /nfs/dbraw/zinc/80/81/05/590808105.db2.gz VCMZAZUYONTSQC-QWRGUYRKSA-N 2 2 225.336 0.149 20 0 BCADLP C[N@@H+]1CC[C@H]2C[NH+](CCn3cncn3)CC[C@H]21 ZINC000879571505 590809286 /nfs/dbraw/zinc/80/92/86/590809286.db2.gz ASJQTLLQAQPRSY-NWDGAFQWSA-N 2 2 235.335 0.304 20 0 BCADLP C[N@H+]1CC[C@H]2C[NH+](CCn3cncn3)CC[C@H]21 ZINC000879571505 590809288 /nfs/dbraw/zinc/80/92/88/590809288.db2.gz ASJQTLLQAQPRSY-NWDGAFQWSA-N 2 2 235.335 0.304 20 0 BCADLP C[NH+]1CC[C@H]2C[N@H+](CCn3cncn3)CC[C@H]21 ZINC000879571505 590809292 /nfs/dbraw/zinc/80/92/92/590809292.db2.gz ASJQTLLQAQPRSY-NWDGAFQWSA-N 2 2 235.335 0.304 20 0 BCADLP C[NH+]1CC[C@H]2C[N@@H+](CCn3cncn3)CC[C@H]21 ZINC000879571505 590809296 /nfs/dbraw/zinc/80/92/96/590809296.db2.gz ASJQTLLQAQPRSY-NWDGAFQWSA-N 2 2 235.335 0.304 20 0 BCADLP C[N@@H+]1CC[C@H]2C[NH+](CC(=O)N3CCC3)CC[C@H]21 ZINC000879573314 590809736 /nfs/dbraw/zinc/80/97/36/590809736.db2.gz WIKGRTIXWYXRAJ-NWDGAFQWSA-N 2 2 237.347 0.245 20 0 BCADLP C[N@H+]1CC[C@H]2C[NH+](CC(=O)N3CCC3)CC[C@H]21 ZINC000879573314 590809741 /nfs/dbraw/zinc/80/97/41/590809741.db2.gz WIKGRTIXWYXRAJ-NWDGAFQWSA-N 2 2 237.347 0.245 20 0 BCADLP C[NH+]1CC[C@H]2C[N@H+](CC(=O)N3CCC3)CC[C@H]21 ZINC000879573314 590809743 /nfs/dbraw/zinc/80/97/43/590809743.db2.gz WIKGRTIXWYXRAJ-NWDGAFQWSA-N 2 2 237.347 0.245 20 0 BCADLP C[NH+]1CC[C@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@H]21 ZINC000879573314 590809748 /nfs/dbraw/zinc/80/97/48/590809748.db2.gz WIKGRTIXWYXRAJ-NWDGAFQWSA-N 2 2 237.347 0.245 20 0 BCADLP C[N@@H+]1CC[C@H]2C[NH+](CCn3cncn3)CC[C@@H]21 ZINC000879571506 590810860 /nfs/dbraw/zinc/81/08/60/590810860.db2.gz ASJQTLLQAQPRSY-RYUDHWBXSA-N 2 2 235.335 0.304 20 0 BCADLP C[N@H+]1CC[C@H]2C[NH+](CCn3cncn3)CC[C@@H]21 ZINC000879571506 590810862 /nfs/dbraw/zinc/81/08/62/590810862.db2.gz ASJQTLLQAQPRSY-RYUDHWBXSA-N 2 2 235.335 0.304 20 0 BCADLP C[NH+]1CC[C@H]2C[N@H+](CCn3cncn3)CC[C@@H]21 ZINC000879571506 590810863 /nfs/dbraw/zinc/81/08/63/590810863.db2.gz ASJQTLLQAQPRSY-RYUDHWBXSA-N 2 2 235.335 0.304 20 0 BCADLP C[NH+]1CC[C@H]2C[N@@H+](CCn3cncn3)CC[C@@H]21 ZINC000879571506 590810864 /nfs/dbraw/zinc/81/08/64/590810864.db2.gz ASJQTLLQAQPRSY-RYUDHWBXSA-N 2 2 235.335 0.304 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](CC[S@@](C)=O)CC[C@@H]21 ZINC000879580828 590822246 /nfs/dbraw/zinc/82/22/46/590822246.db2.gz LCPOBNZDANGBJL-JRPNMDOOSA-N 2 2 230.377 0.391 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](CC[S@@](C)=O)CC[C@@H]21 ZINC000879580828 590822248 /nfs/dbraw/zinc/82/22/48/590822248.db2.gz LCPOBNZDANGBJL-JRPNMDOOSA-N 2 2 230.377 0.391 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](CC[S@@](C)=O)CC[C@@H]21 ZINC000879580828 590822251 /nfs/dbraw/zinc/82/22/51/590822251.db2.gz LCPOBNZDANGBJL-JRPNMDOOSA-N 2 2 230.377 0.391 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](CC[S@@](C)=O)CC[C@@H]21 ZINC000879580828 590822253 /nfs/dbraw/zinc/82/22/53/590822253.db2.gz LCPOBNZDANGBJL-JRPNMDOOSA-N 2 2 230.377 0.391 20 0 BCADLP CSC[C@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880136850 590940460 /nfs/dbraw/zinc/94/04/60/590940460.db2.gz TXQWKWLCVKCSEQ-GRYCIOLGSA-N 2 2 244.404 0.879 20 0 BCADLP CSC[C@H](O)C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880136850 590940463 /nfs/dbraw/zinc/94/04/63/590940463.db2.gz TXQWKWLCVKCSEQ-GRYCIOLGSA-N 2 2 244.404 0.879 20 0 BCADLP CSC[C@H](O)C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880136850 590940465 /nfs/dbraw/zinc/94/04/65/590940465.db2.gz TXQWKWLCVKCSEQ-GRYCIOLGSA-N 2 2 244.404 0.879 20 0 BCADLP CSC[C@H](O)C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880136850 590940468 /nfs/dbraw/zinc/94/04/68/590940468.db2.gz TXQWKWLCVKCSEQ-GRYCIOLGSA-N 2 2 244.404 0.879 20 0 BCADLP OCCC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880207853 590958966 /nfs/dbraw/zinc/95/89/66/590958966.db2.gz BLOCZJVNPNOHMV-CYBMUJFWSA-N 2 2 242.363 0.602 20 0 BCADLP OCCC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880207853 590958968 /nfs/dbraw/zinc/95/89/68/590958968.db2.gz BLOCZJVNPNOHMV-CYBMUJFWSA-N 2 2 242.363 0.602 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880472326 591052454 /nfs/dbraw/zinc/05/24/54/591052454.db2.gz JZGBOCCDRINSMV-LLVKDONJSA-N 2 2 239.363 0.811 20 0 BCADLP CC1([NH+]2CCC2)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000880472933 591053527 /nfs/dbraw/zinc/05/35/27/591053527.db2.gz JGPCUIQMEDQBFB-NSHDSACASA-N 2 2 237.347 0.435 20 0 BCADLP CC1([NH+]2CCC2)CC[NH+](CC2OCCO2)CC1 ZINC000880473803 591053729 /nfs/dbraw/zinc/05/37/29/591053729.db2.gz OZSDLKFNVJXDFQ-UHFFFAOYSA-N 2 2 240.347 0.920 20 0 BCADLP COC[C@](C)([NH3+])CNc1nc[nH+]c(C)c1C ZINC000881984327 591285658 /nfs/dbraw/zinc/28/56/58/591285658.db2.gz KZHIHUADBJCVDM-LLVKDONJSA-N 2 2 224.308 0.869 20 0 BCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)C1([NH+](C)C)CC1 ZINC000882493563 591376279 /nfs/dbraw/zinc/37/62/79/591376279.db2.gz JGDSBULGSCMLLA-SNVBAGLBSA-N 2 2 225.336 0.291 20 0 BCADLP CC[N@H+]1CC[C@@H]1CNC(=O)C1([NH+](C)C)CC1 ZINC000882493563 591376283 /nfs/dbraw/zinc/37/62/83/591376283.db2.gz JGDSBULGSCMLLA-SNVBAGLBSA-N 2 2 225.336 0.291 20 0 BCADLP NC(CO)=[NH+]OCCC[NH+]1CCCCC1 ZINC000883012805 591512501 /nfs/dbraw/zinc/51/25/01/591512501.db2.gz UBFMAGSOHPLJBB-UHFFFAOYSA-N 2 2 215.297 0.353 20 0 BCADLP CC1(C)CCC[C@@H](C[N@H+](CC[NH3+])CCO)O1 ZINC000883425078 591659300 /nfs/dbraw/zinc/65/93/00/591659300.db2.gz KUZNNQRPOBGTOK-NSHDSACASA-N 2 2 230.352 0.587 20 0 BCADLP CC1(C)CCC[C@@H](C[N@@H+](CC[NH3+])CCO)O1 ZINC000883425078 591659302 /nfs/dbraw/zinc/65/93/02/591659302.db2.gz KUZNNQRPOBGTOK-NSHDSACASA-N 2 2 230.352 0.587 20 0 BCADLP C[N@H+](CC[NH3+])C[C@@H]1CCC2(CCOCC2)O1 ZINC000883433019 591662801 /nfs/dbraw/zinc/66/28/01/591662801.db2.gz GXWPNAVIRBALPM-NSHDSACASA-N 2 2 228.336 0.605 20 0 BCADLP C[N@@H+](CC[NH3+])C[C@@H]1CCC2(CCOCC2)O1 ZINC000883433019 591662802 /nfs/dbraw/zinc/66/28/02/591662802.db2.gz GXWPNAVIRBALPM-NSHDSACASA-N 2 2 228.336 0.605 20 0 BCADLP C[N@H+](CC[NH3+])C[C@H]1CCC2(CCOCC2)CO1 ZINC000883432474 591663329 /nfs/dbraw/zinc/66/33/29/591663329.db2.gz RZSHBLAQPBZLSO-GFCCVEGCSA-N 2 2 242.363 0.853 20 0 BCADLP C[N@@H+](CC[NH3+])C[C@H]1CCC2(CCOCC2)CO1 ZINC000883432474 591663332 /nfs/dbraw/zinc/66/33/32/591663332.db2.gz RZSHBLAQPBZLSO-GFCCVEGCSA-N 2 2 242.363 0.853 20 0 BCADLP OCC1([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CCCC1 ZINC000883434197 591664105 /nfs/dbraw/zinc/66/41/05/591664105.db2.gz JLLDRNTWSFAZEO-UWVGGRQHSA-N 2 2 216.300 0.581 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](C)C[C@@H]1CCC2(CCOCC2)O1 ZINC000883438476 591666677 /nfs/dbraw/zinc/66/66/77/591666677.db2.gz UFRYDYWWYNLQEO-NEPJUHHUSA-N 2 2 242.363 0.994 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@@H]1CCC2(CCOCC2)O1 ZINC000883438476 591666680 /nfs/dbraw/zinc/66/66/80/591666680.db2.gz UFRYDYWWYNLQEO-NEPJUHHUSA-N 2 2 242.363 0.994 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000883441836 591670021 /nfs/dbraw/zinc/67/00/21/591670021.db2.gz YPFUFZKVTIUTNI-WCQYABFASA-N 3 2 234.347 0.504 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000883441836 591670024 /nfs/dbraw/zinc/67/00/24/591670024.db2.gz YPFUFZKVTIUTNI-WCQYABFASA-N 3 2 234.347 0.504 20 0 BCADLP C[C@H]1C[N@H+](CCC[NH3+])CCN1c1cc[nH+]cc1 ZINC000883447709 591671653 /nfs/dbraw/zinc/67/16/53/591671653.db2.gz JKDYIOQYCAKJNO-LBPRGKRZSA-N 3 2 234.347 0.941 20 0 BCADLP C[C@H]1C[N@@H+](CCC[NH3+])CCN1c1cc[nH+]cc1 ZINC000883447709 591671655 /nfs/dbraw/zinc/67/16/55/591671655.db2.gz JKDYIOQYCAKJNO-LBPRGKRZSA-N 3 2 234.347 0.941 20 0 BCADLP c1ncc2c(n1)CC[N@@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000883461841 591674640 /nfs/dbraw/zinc/67/46/40/591674640.db2.gz DZRYBIJABYECSZ-JTQLQIEISA-N 2 2 218.304 0.444 20 0 BCADLP c1ncc2c(n1)CC[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000883461841 591674642 /nfs/dbraw/zinc/67/46/42/591674642.db2.gz DZRYBIJABYECSZ-JTQLQIEISA-N 2 2 218.304 0.444 20 0 BCADLP Cc1cn(C(C)(C)C(=O)N2CC[C@@H]([NH3+])C2)c[nH+]1 ZINC000884008660 591796563 /nfs/dbraw/zinc/79/65/63/591796563.db2.gz XEUJIYCBGJOANH-SNVBAGLBSA-N 2 2 236.319 0.486 20 0 BCADLP CC[S@@](=O)CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000133457694 591797559 /nfs/dbraw/zinc/79/75/59/591797559.db2.gz UKXVJSDXPFSRNC-ZETOZRRWSA-N 2 2 232.393 0.827 20 0 BCADLP CC[S@@](=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000133457694 591797561 /nfs/dbraw/zinc/79/75/61/591797561.db2.gz UKXVJSDXPFSRNC-ZETOZRRWSA-N 2 2 232.393 0.827 20 0 BCADLP CCS(=O)(=O)CC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000133615793 591841630 /nfs/dbraw/zinc/84/16/30/591841630.db2.gz VYIADKAOYGXLEF-VHSXEESVSA-N 2 2 234.365 0.233 20 0 BCADLP CCS(=O)(=O)CC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000133615793 591841634 /nfs/dbraw/zinc/84/16/34/591841634.db2.gz VYIADKAOYGXLEF-VHSXEESVSA-N 2 2 234.365 0.233 20 0 BCADLP CCC(O)(CC)C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000134044412 591877684 /nfs/dbraw/zinc/87/76/84/591877684.db2.gz HANNJVXRHKTKIC-RYUDHWBXSA-N 2 2 244.379 0.894 20 0 BCADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)[C@H](C)[NH3+])c[nH+]1 ZINC000884297893 591898396 /nfs/dbraw/zinc/89/83/96/591898396.db2.gz ZBFFJGLLDKZPHG-VHSXEESVSA-N 2 2 238.335 0.779 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884395023 591923420 /nfs/dbraw/zinc/92/34/20/591923420.db2.gz SAQQHBIGAAUPFZ-JTQLQIEISA-N 2 2 236.319 0.614 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884395023 591923423 /nfs/dbraw/zinc/92/34/23/591923423.db2.gz SAQQHBIGAAUPFZ-JTQLQIEISA-N 2 2 236.319 0.614 20 0 BCADLP C[C@H](CCn1cccn1)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000134632487 591943333 /nfs/dbraw/zinc/94/33/33/591943333.db2.gz MKRHMBPOUVZHLN-NEPJUHHUSA-N 2 2 222.336 0.955 20 0 BCADLP C[C@H](CCn1cccn1)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000134632487 591943336 /nfs/dbraw/zinc/94/33/36/591943336.db2.gz MKRHMBPOUVZHLN-NEPJUHHUSA-N 2 2 222.336 0.955 20 0 BCADLP CCc1nc(N[C@@H](CO)C[NH+](C)C)cc[nH+]1 ZINC000884508713 591961007 /nfs/dbraw/zinc/96/10/07/591961007.db2.gz NDAYZMDUFMFVAH-SECBINFHSA-N 2 2 224.308 0.373 20 0 BCADLP CCc1nc(NCC[N@@H+]2CC[C@@H](O)C2)cc[nH+]1 ZINC000884566957 591983237 /nfs/dbraw/zinc/98/32/37/591983237.db2.gz YFPNFNTUBGWJSB-SNVBAGLBSA-N 2 2 236.319 0.518 20 0 BCADLP CCc1nc(NCC[N@H+]2CC[C@@H](O)C2)cc[nH+]1 ZINC000884566957 591983238 /nfs/dbraw/zinc/98/32/38/591983238.db2.gz YFPNFNTUBGWJSB-SNVBAGLBSA-N 2 2 236.319 0.518 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000137259332 592164843 /nfs/dbraw/zinc/16/48/43/592164843.db2.gz SSTMALSJAZEFEY-MWLCHTKSSA-N 2 2 236.319 0.515 20 0 BCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000886489131 592235691 /nfs/dbraw/zinc/23/56/91/592235691.db2.gz AMEOQGCYPMMPHN-MNOVXSKESA-N 2 2 237.303 0.814 20 0 BCADLP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C[NH+](C)C ZINC000886593570 592270176 /nfs/dbraw/zinc/27/01/76/592270176.db2.gz UOLKMTDLKKGASR-GFCCVEGCSA-N 2 2 241.379 0.737 20 0 BCADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C[NH+](C)C ZINC000886593570 592270177 /nfs/dbraw/zinc/27/01/77/592270177.db2.gz UOLKMTDLKKGASR-GFCCVEGCSA-N 2 2 241.379 0.737 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000886937999 592399191 /nfs/dbraw/zinc/39/91/91/592399191.db2.gz BAPCALKZNVGKJV-SNVBAGLBSA-N 2 2 234.303 0.767 20 0 BCADLP CC[C@H](C)[C@H]([NH2+]CCCn1cc[nH+]c1)C(N)=O ZINC000887057376 592432774 /nfs/dbraw/zinc/43/27/74/592432774.db2.gz CHRFEAYDODUXNV-QWRGUYRKSA-N 2 2 238.335 0.763 20 0 BCADLP CC(C)C[C@H](O)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000300275319 592505699 /nfs/dbraw/zinc/50/56/99/592505699.db2.gz NXOKYZARKXKIED-AGIUHOORSA-N 2 2 244.379 0.750 20 0 BCADLP C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC000887921699 592559297 /nfs/dbraw/zinc/55/92/97/592559297.db2.gz PJSQCGIEBRUXHE-MFKMUULPSA-N 2 2 248.330 0.362 20 0 BCADLP C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC000887921699 592559300 /nfs/dbraw/zinc/55/93/00/592559300.db2.gz PJSQCGIEBRUXHE-MFKMUULPSA-N 2 2 248.330 0.362 20 0 BCADLP C[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC000887926123 592559720 /nfs/dbraw/zinc/55/97/20/592559720.db2.gz ZIJPGWNTRYVJBE-MFKMUULPSA-N 2 2 248.330 0.362 20 0 BCADLP C[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC000887926123 592559722 /nfs/dbraw/zinc/55/97/22/592559722.db2.gz ZIJPGWNTRYVJBE-MFKMUULPSA-N 2 2 248.330 0.362 20 0 BCADLP C[C@@]1(CC[NH2+][C@@H]2C[NH2+]CCOC2)CC1(F)F ZINC000925705445 634385643 /nfs/dbraw/zinc/38/56/43/634385643.db2.gz BVDRTWJASQHDIE-NXEZZACHSA-N 2 2 234.290 1.000 20 0 BCADLP FC1(F)C[C@@H]1CC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925720056 634459011 /nfs/dbraw/zinc/45/90/11/634459011.db2.gz DXTGBSJTSBKDGV-IUCAKERBSA-N 2 2 220.263 0.610 20 0 BCADLP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925723597 634473286 /nfs/dbraw/zinc/47/32/86/634473286.db2.gz RSELIQXUGOHNIH-WDEREUQCSA-N 2 2 238.331 0.978 20 0 BCADLP Nc1cc[nH+]c2c1C[N@H+](CCOCCO)CC2 ZINC000931510578 634529778 /nfs/dbraw/zinc/52/97/78/634529778.db2.gz FYLVKTQEOVZEHI-UHFFFAOYSA-N 2 2 237.303 0.031 20 0 BCADLP Nc1cc[nH+]c2c1C[N@@H+](CCOCCO)CC2 ZINC000931510578 634529783 /nfs/dbraw/zinc/52/97/83/634529783.db2.gz FYLVKTQEOVZEHI-UHFFFAOYSA-N 2 2 237.303 0.031 20 0 BCADLP [NH3+]C1CC(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925729524 634544030 /nfs/dbraw/zinc/54/40/30/634544030.db2.gz KCXLXWKAKQRDRB-UARPKCRYSA-N 3 2 221.348 0.310 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925785997 635303330 /nfs/dbraw/zinc/30/33/30/635303330.db2.gz MWINXCOFMZOOAK-FVCCEPFGSA-N 3 2 241.379 0.199 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCOC1CCOCC1 ZINC000925878207 635604987 /nfs/dbraw/zinc/60/49/87/635604987.db2.gz RKKQARJXEGSTIN-AAEUAGOBSA-N 2 2 242.363 0.912 20 0 BCADLP CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001022889566 632033210 /nfs/dbraw/zinc/03/32/10/632033210.db2.gz OZXJFRFXTFFLEB-DTORHVGOSA-N 2 2 222.292 0.209 20 0 BCADLP CC1(C)CNC(=O)[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000926448712 632065390 /nfs/dbraw/zinc/06/53/90/632065390.db2.gz AVWJQOAYZIERGL-KWQFWETISA-N 2 2 248.330 0.381 20 0 BCADLP CCOC[C@H](O)C[N@@H+]1CCCC[C@H]1C[NH2+]C ZINC000250498097 635698510 /nfs/dbraw/zinc/69/85/10/635698510.db2.gz KHXBSQSOYTZLQR-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP CCOC[C@H](O)C[N@H+]1CCCC[C@H]1C[NH2+]C ZINC000250498097 635698514 /nfs/dbraw/zinc/69/85/14/635698514.db2.gz KHXBSQSOYTZLQR-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP CCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001023161434 632403124 /nfs/dbraw/zinc/40/31/24/632403124.db2.gz ZOCJMSLXXWIIBL-PHIMTYICSA-N 2 2 236.319 0.530 20 0 BCADLP CC[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972617432 632534633 /nfs/dbraw/zinc/53/46/33/632534633.db2.gz CHYWDBMPIQDVHL-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972617432 632534645 /nfs/dbraw/zinc/53/46/45/632534645.db2.gz CHYWDBMPIQDVHL-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP CC[C@](C)(O)C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000252966236 632564376 /nfs/dbraw/zinc/56/43/76/632564376.db2.gz SQDOTCYXAHYHHO-SRVKXCTJSA-N 2 2 230.352 0.504 20 0 BCADLP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]CC[NH+]1CCCC1 ZINC000310465009 632743752 /nfs/dbraw/zinc/74/37/52/632743752.db2.gz WWSWLXSPWHDCIN-RYUDHWBXSA-N 2 2 239.363 0.729 20 0 BCADLP CCNC(=[NH2+])NCCCCn1cc[nH+]c1 ZINC000052044155 632782440 /nfs/dbraw/zinc/78/24/40/632782440.db2.gz ONDZWWXRXLBBHP-UHFFFAOYSA-N 2 2 209.297 0.797 20 0 BCADLP c1cn(CCc2nc([C@@H]3CCC[NH2+]C3)no2)c[nH+]1 ZINC000310880425 633015118 /nfs/dbraw/zinc/01/51/18/633015118.db2.gz NOFUWYFENSPHKI-SNVBAGLBSA-N 2 2 247.302 0.976 20 0 BCADLP c1cn(CCc2nc([C@H]3CCC[NH2+]C3)no2)c[nH+]1 ZINC000310880422 633015397 /nfs/dbraw/zinc/01/53/97/633015397.db2.gz NOFUWYFENSPHKI-JTQLQIEISA-N 2 2 247.302 0.976 20 0 BCADLP COc1c(C)c[nH+]c(CNC(=O)[C@H](C)[NH3+])c1C ZINC000166465620 633114132 /nfs/dbraw/zinc/11/41/32/633114132.db2.gz UHCXOSBVWKNRIB-VIFPVBQESA-N 2 2 237.303 0.670 20 0 BCADLP C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000928555256 636092611 /nfs/dbraw/zinc/09/26/11/636092611.db2.gz MNQROLWCTGRGHW-MNOVXSKESA-N 2 2 248.330 0.266 20 0 BCADLP C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000928555256 636092613 /nfs/dbraw/zinc/09/26/13/636092613.db2.gz MNQROLWCTGRGHW-MNOVXSKESA-N 2 2 248.330 0.266 20 0 BCADLP CC[C@H]([NH2+][C@H]1C[NH2+]CCOC1)C1CCOCC1 ZINC000925539689 633949284 /nfs/dbraw/zinc/94/92/84/633949284.db2.gz XQFGCPCIXHXOMK-STQMWFEESA-N 2 2 242.363 0.770 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@@H]1CCCO1 ZINC000309982870 634025148 /nfs/dbraw/zinc/02/51/48/634025148.db2.gz BOUXIIVUCVYSHA-OLZOCXBDSA-N 2 2 242.363 0.554 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@@H]1CCCO1 ZINC000309982870 634025152 /nfs/dbraw/zinc/02/51/52/634025152.db2.gz BOUXIIVUCVYSHA-OLZOCXBDSA-N 2 2 242.363 0.554 20 0 BCADLP OCCC[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000309982876 634026281 /nfs/dbraw/zinc/02/62/81/634026281.db2.gz BRIIQUXDJLHKBF-ZDUSSCGKSA-N 2 2 242.363 0.290 20 0 BCADLP OCCC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000309982876 634026283 /nfs/dbraw/zinc/02/62/83/634026283.db2.gz BRIIQUXDJLHKBF-ZDUSSCGKSA-N 2 2 242.363 0.290 20 0 BCADLP CC(C)N1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1=O ZINC000925580750 634083977 /nfs/dbraw/zinc/08/39/77/634083977.db2.gz MHYBNRHOGALZQL-QJPTWQEYSA-N 2 2 239.363 0.726 20 0 BCADLP CC[C@H]([NH2+][C@H]1C[NH2+]CCOC1)C(C)C ZINC000925584325 634090868 /nfs/dbraw/zinc/09/08/68/634090868.db2.gz LGVBQALMUVREGP-QWRGUYRKSA-N 2 2 200.326 0.999 20 0 BCADLP c1ccc2c(c1)CC(C[NH2+][C@H]1C[NH2+]CCOC1)C2 ZINC000925600433 634124781 /nfs/dbraw/zinc/12/47/81/634124781.db2.gz FFRKHXNSPLNKTM-HNNXBMFYSA-N 2 2 246.354 0.979 20 0 BCADLP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925603707 634131107 /nfs/dbraw/zinc/13/11/07/634131107.db2.gz DERNPRRGNOITOU-UPJWGTAASA-N 2 2 242.363 0.626 20 0 BCADLP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925603704 634131345 /nfs/dbraw/zinc/13/13/45/634131345.db2.gz DERNPRRGNOITOU-AGIUHOORSA-N 2 2 242.363 0.626 20 0 BCADLP C[C@H]([NH3+])[C@H]([NH2+]CCOCCO)c1ccccc1 ZINC000925609478 634146782 /nfs/dbraw/zinc/14/67/82/634146782.db2.gz BPJVXXYJGMOKTB-AAEUAGOBSA-N 2 2 238.331 0.673 20 0 BCADLP [NH3+][C@@H]1C[C@H]([NH2+]C2CC[NH2+]CC2)C12CCC2 ZINC000925691858 634319856 /nfs/dbraw/zinc/31/98/56/634319856.db2.gz NFQQNBVVKWYRPA-MNOVXSKESA-N 3 2 209.337 0.598 20 0 BCADLP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925695175 634342168 /nfs/dbraw/zinc/34/21/68/634342168.db2.gz WYGYBXJODSAVIB-GRYCIOLGSA-N 2 2 228.336 0.116 20 0 BCADLP COCC1(C[NH2+][C@@H]2C[NH2+]CCOC2)CCCC1 ZINC000925695963 634353359 /nfs/dbraw/zinc/35/33/59/634353359.db2.gz YRORIYMJBJRRNZ-GFCCVEGCSA-N 2 2 242.363 0.771 20 0 BCADLP CC1(C)CO[C@@H](CC[NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925775455 635251256 /nfs/dbraw/zinc/25/12/56/635251256.db2.gz QLLZZXINEZXTBO-RYUDHWBXSA-N 2 2 242.363 0.770 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000925779042 635268304 /nfs/dbraw/zinc/26/83/04/635268304.db2.gz LHTIXFHRMLTICK-YVECIDJPSA-N 3 2 241.379 0.613 20 0 BCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925786000 635303227 /nfs/dbraw/zinc/30/32/27/635303227.db2.gz MWINXCOFMZOOAK-MROQNXINSA-N 3 2 241.379 0.199 20 0 BCADLP CC(C)([NH3+])C(=O)NCc1ccc(N)[nH+]c1 ZINC000927781174 635750400 /nfs/dbraw/zinc/75/04/00/635750400.db2.gz UMZXRKHRRXCLGR-UHFFFAOYSA-N 2 2 208.265 0.017 20 0 BCADLP CC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000984859422 636226920 /nfs/dbraw/zinc/22/69/20/636226920.db2.gz UVFGRYYRFIQMBA-MGCOHNPYSA-N 2 2 236.319 0.457 20 0 BCADLP O=C([C@@H]1CCC[NH2+]1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000169813039 636575445 /nfs/dbraw/zinc/57/54/45/636575445.db2.gz ZHPAQKBRMLQGIZ-MNOVXSKESA-N 2 2 248.330 0.868 20 0 BCADLP CON1CCC([NH2+]CC[N@H+](C)C(C)C)CC1 ZINC000323056317 636893793 /nfs/dbraw/zinc/89/37/93/636893793.db2.gz JJJOLYNGTXQXIB-UHFFFAOYSA-N 2 2 229.368 0.942 20 0 BCADLP CON1CCC([NH2+]CC[N@@H+](C)C(C)C)CC1 ZINC000323056317 636893797 /nfs/dbraw/zinc/89/37/97/636893797.db2.gz JJJOLYNGTXQXIB-UHFFFAOYSA-N 2 2 229.368 0.942 20 0 BCADLP C[C@H](C(=O)N[C@H]1CCC[N@H+](CCF)C1)[NH+](C)C ZINC000898502509 637045831 /nfs/dbraw/zinc/04/58/31/637045831.db2.gz CHTFXEJZACZOCV-MNOVXSKESA-N 2 2 245.342 0.487 20 0 BCADLP C[C@H](C(=O)N[C@H]1CCC[N@@H+](CCF)C1)[NH+](C)C ZINC000898502509 637045836 /nfs/dbraw/zinc/04/58/36/637045836.db2.gz CHTFXEJZACZOCV-MNOVXSKESA-N 2 2 245.342 0.487 20 0 BCADLP C[C@@H](C(=O)NCC(C)(C)n1cc[nH+]c1)[NH+](C)C ZINC000898910891 637064083 /nfs/dbraw/zinc/06/40/83/637064083.db2.gz AGDUGHLIVYKGNV-JTQLQIEISA-N 2 2 238.335 0.685 20 0 BCADLP C[C@H](C(=O)NCC(C)(C)n1cc[nH+]c1)[NH+](C)C ZINC000898910892 637064834 /nfs/dbraw/zinc/06/48/34/637064834.db2.gz AGDUGHLIVYKGNV-SNVBAGLBSA-N 2 2 238.335 0.685 20 0 BCADLP CON1CCC([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000323534907 637084956 /nfs/dbraw/zinc/08/49/56/637084956.db2.gz YFFWOSVEXZFXQM-UHFFFAOYSA-N 2 2 238.335 0.889 20 0 BCADLP COCCOC1CC[NH+](C[C@H]2CCC[NH2+]2)CC1 ZINC000903437634 637360586 /nfs/dbraw/zinc/36/05/86/637360586.db2.gz KUZDKQWFLVZULV-GFCCVEGCSA-N 2 2 242.363 0.866 20 0 BCADLP C([C@H]1CCC[NH2+]1)[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000903461809 637362481 /nfs/dbraw/zinc/36/24/81/637362481.db2.gz YKQQYCBDJQIWCC-IJLUTSLNSA-N 2 2 242.388 0.945 20 0 BCADLP C([C@H]1CCC[NH2+]1)[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000903461809 637362484 /nfs/dbraw/zinc/36/24/84/637362484.db2.gz YKQQYCBDJQIWCC-IJLUTSLNSA-N 2 2 242.388 0.945 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000903461622 637362811 /nfs/dbraw/zinc/36/28/11/637362811.db2.gz WHFKYBWBHPLPQF-RHYQMDGZSA-N 3 2 211.353 0.654 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000903461622 637362818 /nfs/dbraw/zinc/36/28/18/637362818.db2.gz WHFKYBWBHPLPQF-RHYQMDGZSA-N 3 2 211.353 0.654 20 0 BCADLP Cn1c[nH+]cc1CCCON=C(N)C[NH+](C)C ZINC000904438238 637409033 /nfs/dbraw/zinc/40/90/33/637409033.db2.gz TYFYRTKIFFQLTR-UHFFFAOYSA-N 2 2 239.323 0.413 20 0 BCADLP NC(=O)c1cccc(C[NH2+]CC2([NH3+])CC2)c1 ZINC000904451103 637415837 /nfs/dbraw/zinc/41/58/37/637415837.db2.gz WMHGIFTXVAMFAK-UHFFFAOYSA-N 2 2 219.288 0.366 20 0 BCADLP COc1ccc(C[NH2+]CC2([NH3+])CC2)cc1O ZINC000904450928 637416719 /nfs/dbraw/zinc/41/67/19/637416719.db2.gz UNLLKTNGKBJDBT-UHFFFAOYSA-N 2 2 222.288 0.982 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905044589 637562157 /nfs/dbraw/zinc/56/21/57/637562157.db2.gz FGCMPYPXAHQYDT-QWRGUYRKSA-N 2 2 239.319 0.137 20 0 BCADLP C[C@@](O)(C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C(F)F ZINC000905264748 637717281 /nfs/dbraw/zinc/71/72/81/637717281.db2.gz WDSQYLAPTPGRQY-RDDDGLTNSA-N 2 2 245.273 0.873 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH2+]C/C=C\Cl)C1CC1 ZINC000905707433 637890741 /nfs/dbraw/zinc/89/07/41/637890741.db2.gz JLMMIIFUGDVAPG-ODTOEKCJSA-N 2 2 218.728 0.784 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH2+]C/C=C\Cl)C1CC1 ZINC000905707433 637890744 /nfs/dbraw/zinc/89/07/44/637890744.db2.gz JLMMIIFUGDVAPG-ODTOEKCJSA-N 2 2 218.728 0.784 20 0 BCADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1=CC[N@H+](C)CC1 ZINC000907282226 638341155 /nfs/dbraw/zinc/34/11/55/638341155.db2.gz NCRMLRHWJOZVIF-SNVBAGLBSA-N 2 2 248.330 0.719 20 0 BCADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1=CC[N@@H+](C)CC1 ZINC000907282226 638341164 /nfs/dbraw/zinc/34/11/64/638341164.db2.gz NCRMLRHWJOZVIF-SNVBAGLBSA-N 2 2 248.330 0.719 20 0 BCADLP C[NH+]1CC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC000907764100 638464961 /nfs/dbraw/zinc/46/49/61/638464961.db2.gz RKOPHKBSROZMHY-UHFFFAOYSA-N 2 2 234.303 0.116 20 0 BCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000908364106 638669925 /nfs/dbraw/zinc/66/99/25/638669925.db2.gz WNWPTJGLINXSCR-ZDUSSCGKSA-N 2 2 248.330 0.506 20 0 BCADLP C[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000908364106 638669936 /nfs/dbraw/zinc/66/99/36/638669936.db2.gz WNWPTJGLINXSCR-ZDUSSCGKSA-N 2 2 248.330 0.506 20 0 BCADLP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000908412756 638699875 /nfs/dbraw/zinc/69/98/75/638699875.db2.gz GPOACHBOPLUQFI-GXSJLCMTSA-N 2 2 236.319 0.503 20 0 BCADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)C12CC[NH+](CC1)C2 ZINC000908758367 639061672 /nfs/dbraw/zinc/06/16/72/639061672.db2.gz JDZXNJFNBTXUMH-SNVBAGLBSA-N 2 2 246.314 0.020 20 0 BCADLP C[N@H+](CC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CCC1 ZINC000908758407 639062865 /nfs/dbraw/zinc/06/28/65/639062865.db2.gz KHRGFKYCMSCELJ-SNVBAGLBSA-N 2 2 248.330 0.408 20 0 BCADLP C[N@@H+](CC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CCC1 ZINC000908758407 639062871 /nfs/dbraw/zinc/06/28/71/639062871.db2.gz KHRGFKYCMSCELJ-SNVBAGLBSA-N 2 2 248.330 0.408 20 0 BCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911620053 639682631 /nfs/dbraw/zinc/68/26/31/639682631.db2.gz PAKMFVOTARARCR-NXEZZACHSA-N 2 2 236.319 0.538 20 0 BCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911620053 639682635 /nfs/dbraw/zinc/68/26/35/639682635.db2.gz PAKMFVOTARARCR-NXEZZACHSA-N 2 2 236.319 0.538 20 0 BCADLP C[NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000911676151 639717009 /nfs/dbraw/zinc/71/70/09/639717009.db2.gz IJRDRINHOGUDLB-UHFFFAOYSA-N 2 2 232.287 0.902 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C[C@@H]([NH3+])C(F)F ZINC000911684114 639725291 /nfs/dbraw/zinc/72/52/91/639725291.db2.gz LYBOJAVAHIZVDU-DJLDLDEBSA-N 2 2 249.305 0.697 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000911683003 639725384 /nfs/dbraw/zinc/72/53/84/639725384.db2.gz DRTGFEJVISHNIF-UWVGGRQHSA-N 2 2 236.319 0.681 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C[C@@H]([NH3+])C(F)F ZINC000911684116 639725607 /nfs/dbraw/zinc/72/56/07/639725607.db2.gz LYBOJAVAHIZVDU-YIZRAAEISA-N 2 2 249.305 0.697 20 0 BCADLP [NH3+]C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000911720827 639742762 /nfs/dbraw/zinc/74/27/62/639742762.db2.gz IVFVFFIJUVRWHF-VIFPVBQESA-N 2 2 222.292 0.292 20 0 BCADLP C[C@@H]1C[NH2+]CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000911725290 639752584 /nfs/dbraw/zinc/75/25/84/639752584.db2.gz SIROXEKDSNTOLP-SECBINFHSA-N 2 2 244.298 0.997 20 0 BCADLP C[C@H]([NH3+])CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911741623 639769728 /nfs/dbraw/zinc/76/97/28/639769728.db2.gz UUJSXOIMCZLWDP-VHSXEESVSA-N 2 2 236.319 0.299 20 0 BCADLP C[C@H]([NH3+])C1CCN(C(=O)C[C@@H]([NH3+])C(F)F)CC1 ZINC000911753039 639781497 /nfs/dbraw/zinc/78/14/97/639781497.db2.gz HZRCCMMEQPZYFF-IONNQARKSA-N 2 2 249.305 0.555 20 0 BCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(C)C[NH3+] ZINC000911761811 639801240 /nfs/dbraw/zinc/80/12/40/639801240.db2.gz IMBOSBOELRQTMR-MRVPVSSYSA-N 2 2 224.308 0.442 20 0 BCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(C)C[NH3+] ZINC000911761811 639801243 /nfs/dbraw/zinc/80/12/43/639801243.db2.gz IMBOSBOELRQTMR-MRVPVSSYSA-N 2 2 224.308 0.442 20 0 BCADLP CCC(CC)(C[NH3+])NC(=O)C[C@H]([NH3+])C(F)F ZINC000911799494 639820405 /nfs/dbraw/zinc/82/04/05/639820405.db2.gz ILLZTGNABLTSMU-ZETCQYMHSA-N 2 2 237.294 0.603 20 0 BCADLP CC(C)[C@](C)(C[NH3+])NC(=O)C[C@H]([NH3+])C(F)F ZINC000911832971 639844072 /nfs/dbraw/zinc/84/40/72/639844072.db2.gz QKJAQBCHTAVPQB-XVKPBYJWSA-N 2 2 237.294 0.459 20 0 BCADLP CC(C)C[C@H](C[NH3+])NC(=O)C[C@H]([NH3+])C(F)F ZINC000911817513 639850523 /nfs/dbraw/zinc/85/05/23/639850523.db2.gz DTWQPDGWUWDHPA-SFYZADRCSA-N 2 2 237.294 0.459 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C(F)F)C1 ZINC000911818661 639850777 /nfs/dbraw/zinc/85/07/77/639850777.db2.gz AORTWOQPBCNFCY-YIZRAAEISA-N 2 2 249.305 0.555 20 0 BCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000911847038 639857133 /nfs/dbraw/zinc/85/71/33/639857133.db2.gz SKEFCCNUZJDCEP-GXSJLCMTSA-N 2 2 236.319 0.538 20 0 BCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000911847038 639857138 /nfs/dbraw/zinc/85/71/38/639857138.db2.gz SKEFCCNUZJDCEP-GXSJLCMTSA-N 2 2 236.319 0.538 20 0 BCADLP CC1(C)C[NH2+]CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000911849276 639858366 /nfs/dbraw/zinc/85/83/66/639858366.db2.gz ZXVJVMFKNYAKNQ-UHFFFAOYSA-N 2 2 222.292 0.163 20 0 BCADLP COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1[nH]c(C)[nH+]c1C ZINC000930853332 639951225 /nfs/dbraw/zinc/95/12/25/639951225.db2.gz SLROYRITXKVMET-GHMZBOCLSA-N 2 2 239.319 0.608 20 0 BCADLP COC[C@H]1C[C@@H](O)C[N@H+]1Cc1[nH]c(C)[nH+]c1C ZINC000930853332 639951237 /nfs/dbraw/zinc/95/12/37/639951237.db2.gz SLROYRITXKVMET-GHMZBOCLSA-N 2 2 239.319 0.608 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC([NH+]2CCCC2)C1 ZINC000912320972 640028713 /nfs/dbraw/zinc/02/87/13/640028713.db2.gz GNIPNRCNXFBFGM-UHFFFAOYSA-N 2 2 248.330 0.567 20 0 BCADLP C[C@@H]1[C@H]([NH+](C)C)CCN1CCn1cc[nH+]c1 ZINC000931040561 640037173 /nfs/dbraw/zinc/03/71/73/640037173.db2.gz FDBQMDAAFMNNOF-VXGBXAGGSA-N 2 2 222.336 0.908 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC000931276385 640124453 /nfs/dbraw/zinc/12/44/53/640124453.db2.gz HHSOCIFDMAFNFB-DCQANWLSSA-N 2 2 247.346 0.257 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC000931276385 640124457 /nfs/dbraw/zinc/12/44/57/640124457.db2.gz HHSOCIFDMAFNFB-DCQANWLSSA-N 2 2 247.346 0.257 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC000931279485 640132735 /nfs/dbraw/zinc/13/27/35/640132735.db2.gz JRPOPDQFGZZOTM-PJXYFTJBSA-N 2 2 237.347 0.101 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC000931279485 640132742 /nfs/dbraw/zinc/13/27/42/640132742.db2.gz JRPOPDQFGZZOTM-PJXYFTJBSA-N 2 2 237.347 0.101 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CCOC3=O)C[C@H]21 ZINC000931279944 640134046 /nfs/dbraw/zinc/13/40/46/640134046.db2.gz UQWYEAZJAZQWCH-WYUUTHIRSA-N 2 2 238.331 0.431 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CCOC3=O)C[C@H]21 ZINC000931279944 640134049 /nfs/dbraw/zinc/13/40/49/640134049.db2.gz UQWYEAZJAZQWCH-WYUUTHIRSA-N 2 2 238.331 0.431 20 0 BCADLP C[NH+](C)C1(C)CC[NH+](CCn2cncn2)CC1 ZINC000931350628 640168709 /nfs/dbraw/zinc/16/87/09/640168709.db2.gz QSOWPINMERUQOD-UHFFFAOYSA-N 2 2 237.351 0.694 20 0 BCADLP CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H](C)[NH2+]1 ZINC000912731458 640191347 /nfs/dbraw/zinc/19/13/47/640191347.db2.gz XFCOBDVIZVZXRQ-VHSXEESVSA-N 2 2 236.319 0.551 20 0 BCADLP COC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931431858 640199810 /nfs/dbraw/zinc/19/98/10/640199810.db2.gz RATXVDXFFHBJJG-OUAUKWLOSA-N 2 2 226.320 0.431 20 0 BCADLP COC(=O)[C@@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931431858 640199816 /nfs/dbraw/zinc/19/98/16/640199816.db2.gz RATXVDXFFHBJJG-OUAUKWLOSA-N 2 2 226.320 0.431 20 0 BCADLP COC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931431858 640199819 /nfs/dbraw/zinc/19/98/19/640199819.db2.gz RATXVDXFFHBJJG-OUAUKWLOSA-N 2 2 226.320 0.431 20 0 BCADLP COC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931431858 640199825 /nfs/dbraw/zinc/19/98/25/640199825.db2.gz RATXVDXFFHBJJG-OUAUKWLOSA-N 2 2 226.320 0.431 20 0 BCADLP C[C@@H](c1nncn1C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437122 640201294 /nfs/dbraw/zinc/20/12/94/640201294.db2.gz MZMUKPSIYBNLIV-SDDRHHMPSA-N 2 2 249.362 0.760 20 0 BCADLP C[C@@H](c1nncn1C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437122 640201304 /nfs/dbraw/zinc/20/13/04/640201304.db2.gz MZMUKPSIYBNLIV-SDDRHHMPSA-N 2 2 249.362 0.760 20 0 BCADLP C[C@@H](c1nncn1C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931437122 640201309 /nfs/dbraw/zinc/20/13/09/640201309.db2.gz MZMUKPSIYBNLIV-SDDRHHMPSA-N 2 2 249.362 0.760 20 0 BCADLP C[C@@H](c1nncn1C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931437122 640201314 /nfs/dbraw/zinc/20/13/14/640201314.db2.gz MZMUKPSIYBNLIV-SDDRHHMPSA-N 2 2 249.362 0.760 20 0 BCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912909890 640234798 /nfs/dbraw/zinc/23/47/98/640234798.db2.gz KAOOXRYGBAORJH-LLVKDONJSA-N 2 2 248.330 0.269 20 0 BCADLP C[C@@H](CO)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931514582 640241224 /nfs/dbraw/zinc/24/12/24/640241224.db2.gz BYUIHYNUEGZBMU-SECBINFHSA-N 2 2 221.304 0.650 20 0 BCADLP C[C@@H](CO)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931514582 640241228 /nfs/dbraw/zinc/24/12/28/640241228.db2.gz BYUIHYNUEGZBMU-SECBINFHSA-N 2 2 221.304 0.650 20 0 BCADLP Nc1cc[nH+]c2c1C[N@H+](C[C@@H]1CCC(=O)O1)CC2 ZINC000931517748 640246799 /nfs/dbraw/zinc/24/67/99/640246799.db2.gz KYUUJCHUJOMDEB-VIFPVBQESA-N 2 2 247.298 0.728 20 0 BCADLP Nc1cc[nH+]c2c1C[N@@H+](C[C@@H]1CCC(=O)O1)CC2 ZINC000931517748 640246802 /nfs/dbraw/zinc/24/68/02/640246802.db2.gz KYUUJCHUJOMDEB-VIFPVBQESA-N 2 2 247.298 0.728 20 0 BCADLP C[NH+](C)C1(C(=O)N2CC[C@H]([NH+]3CCC3)C2)CC1 ZINC000912903082 640247590 /nfs/dbraw/zinc/24/75/90/640247590.db2.gz IAPBAIGWEAYNBM-NSHDSACASA-N 2 2 237.347 0.387 20 0 BCADLP Nc1cc[nH+]c2c1C[N@H+](C[C@@H]1COCCO1)CC2 ZINC000931520232 640251239 /nfs/dbraw/zinc/25/12/39/640251239.db2.gz YOCBQJGHTHZQGE-SNVBAGLBSA-N 2 2 249.314 0.437 20 0 BCADLP Nc1cc[nH+]c2c1C[N@@H+](C[C@@H]1COCCO1)CC2 ZINC000931520232 640251243 /nfs/dbraw/zinc/25/12/43/640251243.db2.gz YOCBQJGHTHZQGE-SNVBAGLBSA-N 2 2 249.314 0.437 20 0 BCADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cnnn1C ZINC000924852606 640273135 /nfs/dbraw/zinc/27/31/35/640273135.db2.gz KGYVJNZFQURXIX-UWVGGRQHSA-N 2 2 225.340 0.806 20 0 BCADLP [NH3+][C@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000165913608 640598491 /nfs/dbraw/zinc/59/84/91/640598491.db2.gz KHZMNKLLQRMSJC-STQMWFEESA-N 2 2 220.316 0.623 20 0 BCADLP [NH3+][C@H]1CC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000165913608 640598495 /nfs/dbraw/zinc/59/84/95/640598495.db2.gz KHZMNKLLQRMSJC-STQMWFEESA-N 2 2 220.316 0.623 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1C2CCC1(C(N)=O)CC2 ZINC000932934848 640647052 /nfs/dbraw/zinc/64/70/52/640647052.db2.gz PWIQNHGJWBZQMB-UHFFFAOYSA-N 2 2 248.330 0.445 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1C2CCC1(C(N)=O)CC2 ZINC000932934848 640647056 /nfs/dbraw/zinc/64/70/56/640647056.db2.gz PWIQNHGJWBZQMB-UHFFFAOYSA-N 2 2 248.330 0.445 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000167367096 640712704 /nfs/dbraw/zinc/71/27/04/640712704.db2.gz ZOPBNIUPCFITLP-MNOVXSKESA-N 2 2 225.336 0.149 20 0 BCADLP C[N@@H+]1C[C@@H]2C[NH+](CCc3cnccn3)C[C@]2(C)C1 ZINC000933733834 640758818 /nfs/dbraw/zinc/75/88/18/640758818.db2.gz JAHZPIZPNPRSAG-OCCSQVGLSA-N 2 2 246.358 0.903 20 0 BCADLP C[N@H+]1C[C@@H]2C[NH+](CCc3cnccn3)C[C@]2(C)C1 ZINC000933733834 640758828 /nfs/dbraw/zinc/75/88/28/640758828.db2.gz JAHZPIZPNPRSAG-OCCSQVGLSA-N 2 2 246.358 0.903 20 0 BCADLP C[NH+]1C[C@@H]2C[N@H+](CCc3cnccn3)C[C@]2(C)C1 ZINC000933733834 640758834 /nfs/dbraw/zinc/75/88/34/640758834.db2.gz JAHZPIZPNPRSAG-OCCSQVGLSA-N 2 2 246.358 0.903 20 0 BCADLP C[NH+]1C[C@@H]2C[N@@H+](CCc3cnccn3)C[C@]2(C)C1 ZINC000933733834 640758838 /nfs/dbraw/zinc/75/88/38/640758838.db2.gz JAHZPIZPNPRSAG-OCCSQVGLSA-N 2 2 246.358 0.903 20 0 BCADLP CCNC(=[NH2+])NCC[NH+]1CCSCC1 ZINC000226757685 640792231 /nfs/dbraw/zinc/79/22/31/640792231.db2.gz SJLKZKFUIZTJFU-UHFFFAOYSA-N 2 2 216.354 0.169 20 0 BCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227070418 640812613 /nfs/dbraw/zinc/81/26/13/640812613.db2.gz VXVARSVZGKEONN-SDDRHHMPSA-N 2 2 241.379 0.816 20 0 BCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227070418 640812615 /nfs/dbraw/zinc/81/26/15/640812615.db2.gz VXVARSVZGKEONN-SDDRHHMPSA-N 2 2 241.379 0.816 20 0 BCADLP CNc1cc(NC[C@](C)(O)C[NH+](C)C)nc[nH+]1 ZINC000228048248 640857836 /nfs/dbraw/zinc/85/78/36/640857836.db2.gz GUQQQVOTQFBSDI-NSHDSACASA-N 2 2 239.323 0.243 20 0 BCADLP CNc1cc(NC[C@](C)(O)C[NH+](C)C)[nH+]cn1 ZINC000228048248 640857838 /nfs/dbraw/zinc/85/78/38/640857838.db2.gz GUQQQVOTQFBSDI-NSHDSACASA-N 2 2 239.323 0.243 20 0 BCADLP CCC[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001030533727 640901402 /nfs/dbraw/zinc/90/14/02/640901402.db2.gz XAFBQYIXECGGDD-GFCCVEGCSA-N 2 2 239.363 0.681 20 0 BCADLP CCC[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001030533727 640901408 /nfs/dbraw/zinc/90/14/08/640901408.db2.gz XAFBQYIXECGGDD-GFCCVEGCSA-N 2 2 239.363 0.681 20 0 BCADLP CC[NH+]1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001030608282 640955709 /nfs/dbraw/zinc/95/57/09/640955709.db2.gz CDQKFYFTPSHSBZ-UHFFFAOYSA-N 2 2 237.347 0.435 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934569692 641201915 /nfs/dbraw/zinc/20/19/15/641201915.db2.gz YWQSAMDJVFXTMV-VXGBXAGGSA-N 2 2 241.310 0.986 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934569692 641201923 /nfs/dbraw/zinc/20/19/23/641201923.db2.gz YWQSAMDJVFXTMV-VXGBXAGGSA-N 2 2 241.310 0.986 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+]CC1CC[NH+](C)CC1 ZINC000130110427 641362464 /nfs/dbraw/zinc/36/24/64/641362464.db2.gz DGTQXHJVODSQEV-NSHDSACASA-N 3 2 213.369 0.868 20 0 BCADLP CC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000925395925 641425840 /nfs/dbraw/zinc/42/58/40/641425840.db2.gz JEJNJLMBWBWCOI-NSHDSACASA-N 2 2 240.351 0.038 20 0 BCADLP CC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000925395925 641425848 /nfs/dbraw/zinc/42/58/48/641425848.db2.gz JEJNJLMBWBWCOI-NSHDSACASA-N 2 2 240.351 0.038 20 0 BCADLP O=C(CCCn1cc[nH+]c1)NC12CC[NH+](CC1)C2 ZINC000913628535 641432216 /nfs/dbraw/zinc/43/22/16/641432216.db2.gz HPQZVYBDUAAQDZ-UHFFFAOYSA-N 2 2 248.330 0.628 20 0 BCADLP CCC[NH+]1CC(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001030956983 641521252 /nfs/dbraw/zinc/52/12/52/641521252.db2.gz QTEKROZOJGIIQU-NSHDSACASA-N 2 2 239.363 0.681 20 0 BCADLP CCC[NH+]1CC(NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001030956983 641521257 /nfs/dbraw/zinc/52/12/57/641521257.db2.gz QTEKROZOJGIIQU-NSHDSACASA-N 2 2 239.363 0.681 20 0 BCADLP CC[NH+]1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001030958060 641523652 /nfs/dbraw/zinc/52/36/52/641523652.db2.gz BSEWFNNFYYWTOQ-SNVBAGLBSA-N 2 2 225.336 0.149 20 0 BCADLP CC[NH+]1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001030958060 641523656 /nfs/dbraw/zinc/52/36/56/641523656.db2.gz BSEWFNNFYYWTOQ-SNVBAGLBSA-N 2 2 225.336 0.149 20 0 BCADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](CC)C1 ZINC000949780482 641861514 /nfs/dbraw/zinc/86/15/14/641861514.db2.gz NGUNRNHUNMKKJW-LBPRGKRZSA-N 2 2 239.363 0.633 20 0 BCADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](CC)C1 ZINC000949780482 641861517 /nfs/dbraw/zinc/86/15/17/641861517.db2.gz NGUNRNHUNMKKJW-LBPRGKRZSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[NH2+]1 ZINC000235428632 642499028 /nfs/dbraw/zinc/49/90/28/642499028.db2.gz UMNRJFBYCQJFAC-GHMZBOCLSA-N 2 2 236.319 0.530 20 0 BCADLP C[C@H](O)C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000304189895 643085445 /nfs/dbraw/zinc/08/54/45/643085445.db2.gz GUQDURXATQQRQF-WCFLWFBJSA-N 2 2 220.316 0.794 20 0 BCADLP C[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000304189895 643085448 /nfs/dbraw/zinc/08/54/48/643085448.db2.gz GUQDURXATQQRQF-WCFLWFBJSA-N 2 2 220.316 0.794 20 0 BCADLP C[C@@H](O)C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000304189888 643085786 /nfs/dbraw/zinc/08/57/86/643085786.db2.gz GUQDURXATQQRQF-KGYLQXTDSA-N 2 2 220.316 0.794 20 0 BCADLP C[C@@H](O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000304189888 643085790 /nfs/dbraw/zinc/08/57/90/643085790.db2.gz GUQDURXATQQRQF-KGYLQXTDSA-N 2 2 220.316 0.794 20 0 BCADLP C[N@H+](C[C@@H](O)C(F)(F)F)C1CC[NH2+]CC1 ZINC000082681365 643367185 /nfs/dbraw/zinc/36/71/85/643367185.db2.gz PVJIDVCEXUPDJU-MRVPVSSYSA-N 2 2 226.242 0.593 20 0 BCADLP C[N@@H+](C[C@@H](O)C(F)(F)F)C1CC[NH2+]CC1 ZINC000082681365 643367190 /nfs/dbraw/zinc/36/71/90/643367190.db2.gz PVJIDVCEXUPDJU-MRVPVSSYSA-N 2 2 226.242 0.593 20 0 BCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000050247026 643662639 /nfs/dbraw/zinc/66/26/39/643662639.db2.gz IOVRZIVXHIBPRB-NSHDSACASA-N 2 2 239.363 0.716 20 0 BCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000050247026 643662644 /nfs/dbraw/zinc/66/26/44/643662644.db2.gz IOVRZIVXHIBPRB-NSHDSACASA-N 2 2 239.363 0.716 20 0 BCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)CNc1cccc[nH+]1 ZINC000922155980 643875027 /nfs/dbraw/zinc/87/50/27/643875027.db2.gz IPKLJEAIPMSIIC-LLVKDONJSA-N 2 2 248.330 0.704 20 0 BCADLP CC[N@H+]1CC[C@@H]1CNC(=O)CNc1cccc[nH+]1 ZINC000922155980 643875029 /nfs/dbraw/zinc/87/50/29/643875029.db2.gz IPKLJEAIPMSIIC-LLVKDONJSA-N 2 2 248.330 0.704 20 0 BCADLP CC(C)CC[C@H](O)C[N@H+]1CC[C@H]([NH3+])C1 ZINC000923280019 644312714 /nfs/dbraw/zinc/31/27/14/644312714.db2.gz DGQAIHMKNKCEDS-QWRGUYRKSA-N 2 2 200.326 0.817 20 0 BCADLP CC(C)CC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000923277313 644308307 /nfs/dbraw/zinc/30/83/07/644308307.db2.gz DGQAIHMKNKCEDS-MNOVXSKESA-N 2 2 200.326 0.817 20 0 BCADLP CC(C)CC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000923277313 644308312 /nfs/dbraw/zinc/30/83/12/644308312.db2.gz DGQAIHMKNKCEDS-MNOVXSKESA-N 2 2 200.326 0.817 20 0 BCADLP CC(C)CC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000923280019 644312710 /nfs/dbraw/zinc/31/27/10/644312710.db2.gz DGQAIHMKNKCEDS-QWRGUYRKSA-N 2 2 200.326 0.817 20 0 BCADLP CCOCC[C@H](O)C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000923280469 644313654 /nfs/dbraw/zinc/31/36/54/644313654.db2.gz IVAHTPYCBHBPSC-RYUDHWBXSA-N 2 2 230.352 0.587 20 0 BCADLP CCOCC[C@H](O)C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000923280469 644313659 /nfs/dbraw/zinc/31/36/59/644313659.db2.gz IVAHTPYCBHBPSC-RYUDHWBXSA-N 2 2 230.352 0.587 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000923282055 644315630 /nfs/dbraw/zinc/31/56/30/644315630.db2.gz UIRMGWBDGLXIBS-QWHCGFSZSA-N 2 2 244.379 0.976 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000923282055 644315633 /nfs/dbraw/zinc/31/56/33/644315633.db2.gz UIRMGWBDGLXIBS-QWHCGFSZSA-N 2 2 244.379 0.976 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)C[C@@H](O)COc1ccccc1 ZINC000923290891 644325337 /nfs/dbraw/zinc/32/53/37/644325337.db2.gz PBRBESUVPOHXQS-NWDGAFQWSA-N 2 2 238.331 0.705 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@@H](O)COc1ccccc1 ZINC000923290891 644325345 /nfs/dbraw/zinc/32/53/45/644325345.db2.gz PBRBESUVPOHXQS-NWDGAFQWSA-N 2 2 238.331 0.705 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](O)CCOC(C)C ZINC000923294898 644331722 /nfs/dbraw/zinc/33/17/22/644331722.db2.gz QFBYDUCFRUSTQJ-QWHCGFSZSA-N 2 2 244.379 0.846 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H](O)CCOC(C)C ZINC000923294898 644331725 /nfs/dbraw/zinc/33/17/25/644331725.db2.gz QFBYDUCFRUSTQJ-QWHCGFSZSA-N 2 2 244.379 0.846 20 0 BCADLP CNC(=[NH2+])NCCc1cn2cccc(C)c2[nH+]1 ZINC000081781211 644345713 /nfs/dbraw/zinc/34/57/13/644345713.db2.gz XBGHDUUDRRMPRO-UHFFFAOYSA-N 2 2 231.303 0.719 20 0 BCADLP CCOCC[C@H](O)C[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000923329396 644350370 /nfs/dbraw/zinc/35/03/70/644350370.db2.gz IFSBBBYTBAHWTC-OLZOCXBDSA-N 2 2 242.363 0.600 20 0 BCADLP CCOCC[C@H](O)C[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000923329396 644350378 /nfs/dbraw/zinc/35/03/78/644350378.db2.gz IFSBBBYTBAHWTC-OLZOCXBDSA-N 2 2 242.363 0.600 20 0 BCADLP CCOCCOCC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923368159 644380520 /nfs/dbraw/zinc/38/05/20/644380520.db2.gz MOIFAAVZSNLQKO-QWRGUYRKSA-N 2 2 216.325 0.461 20 0 BCADLP CCOCCOCC[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923368159 644380522 /nfs/dbraw/zinc/38/05/22/644380522.db2.gz MOIFAAVZSNLQKO-QWRGUYRKSA-N 2 2 216.325 0.461 20 0 BCADLP C[N@H+](CC[NH3+])C[C@@H](O)Cc1ccccc1 ZINC000923375280 644389828 /nfs/dbraw/zinc/38/98/28/644389828.db2.gz IFVRJBSWAGZZPX-LBPRGKRZSA-N 2 2 208.305 0.481 20 0 BCADLP C[N@@H+](CC[NH3+])C[C@@H](O)Cc1ccccc1 ZINC000923375280 644389834 /nfs/dbraw/zinc/38/98/34/644389834.db2.gz IFVRJBSWAGZZPX-LBPRGKRZSA-N 2 2 208.305 0.481 20 0 BCADLP CCOC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923398372 644404375 /nfs/dbraw/zinc/40/43/75/644404375.db2.gz IWODAHLHZASLFU-QWRGUYRKSA-N 2 2 228.336 0.258 20 0 BCADLP C(CO[C@@H]1CCOC1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923399087 644405329 /nfs/dbraw/zinc/40/53/29/644405329.db2.gz NXMLSTBEAZYFSR-VXGBXAGGSA-N 2 2 240.347 0.666 20 0 BCADLP CC(C)C[C@@H](C(N)=O)[N@H+](C)CCC[NH2+]C1CC1 ZINC000923426170 644419371 /nfs/dbraw/zinc/41/93/71/644419371.db2.gz KZTCXUJOAMYTHW-LBPRGKRZSA-N 2 2 241.379 0.960 20 0 BCADLP CC(C)C[C@@H](C(N)=O)[N@@H+](C)CCC[NH2+]C1CC1 ZINC000923426170 644419376 /nfs/dbraw/zinc/41/93/76/644419376.db2.gz KZTCXUJOAMYTHW-LBPRGKRZSA-N 2 2 241.379 0.960 20 0 BCADLP CC[N@@H+](C[C@@H](O)CCOC(C)C)[C@@H]1CC[NH2+]C1 ZINC000923424165 644420269 /nfs/dbraw/zinc/42/02/69/644420269.db2.gz DIFNNGCXPLTTNA-OLZOCXBDSA-N 2 2 244.379 0.846 20 0 BCADLP CC[N@H+](C[C@@H](O)CCOC(C)C)[C@@H]1CC[NH2+]C1 ZINC000923424165 644420262 /nfs/dbraw/zinc/42/02/62/644420262.db2.gz DIFNNGCXPLTTNA-OLZOCXBDSA-N 2 2 244.379 0.846 20 0 BCADLP CCOCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C[NH2+]C ZINC000923423265 644420406 /nfs/dbraw/zinc/42/04/06/644420406.db2.gz KQLRSMDLLCTBKH-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP CCOCC[C@@H](O)C[N@H+]1CCCC[C@@H]1C[NH2+]C ZINC000923423265 644420412 /nfs/dbraw/zinc/42/04/12/644420412.db2.gz KQLRSMDLLCTBKH-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP CCOCC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000923432020 644425397 /nfs/dbraw/zinc/42/53/97/644425397.db2.gz ZSURKMWIXDHLGO-QWRGUYRKSA-N 2 2 230.352 0.443 20 0 BCADLP CCOCC[C@H](O)C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000923432020 644425402 /nfs/dbraw/zinc/42/54/02/644425402.db2.gz ZSURKMWIXDHLGO-QWRGUYRKSA-N 2 2 230.352 0.443 20 0 BCADLP CC1(C)C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H]1[NH3+] ZINC000923432315 644426243 /nfs/dbraw/zinc/42/62/43/644426243.db2.gz KOHRBHXBIQHBGM-WDEREUQCSA-N 3 2 239.363 0.034 20 0 BCADLP CC1(C)C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H]1[NH3+] ZINC000923432315 644426247 /nfs/dbraw/zinc/42/62/47/644426247.db2.gz KOHRBHXBIQHBGM-WDEREUQCSA-N 3 2 239.363 0.034 20 0 BCADLP CC1(C)C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1[NH3+] ZINC000923432314 644426842 /nfs/dbraw/zinc/42/68/42/644426842.db2.gz KOHRBHXBIQHBGM-QWRGUYRKSA-N 3 2 239.363 0.034 20 0 BCADLP CC1(C)C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1[NH3+] ZINC000923432314 644426847 /nfs/dbraw/zinc/42/68/47/644426847.db2.gz KOHRBHXBIQHBGM-QWRGUYRKSA-N 3 2 239.363 0.034 20 0 BCADLP COCCCCC[N@@H+]1CCNCC[NH2+]CC1 ZINC000923461791 644446904 /nfs/dbraw/zinc/44/69/04/644446904.db2.gz WANBZLHQAURXAB-UHFFFAOYSA-N 2 2 229.368 0.298 20 0 BCADLP COCCCCC[N@H+]1CCNCC[NH2+]CC1 ZINC000923461791 644446913 /nfs/dbraw/zinc/44/69/13/644446913.db2.gz WANBZLHQAURXAB-UHFFFAOYSA-N 2 2 229.368 0.298 20 0 BCADLP COCCCCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923461791 644446917 /nfs/dbraw/zinc/44/69/17/644446917.db2.gz WANBZLHQAURXAB-UHFFFAOYSA-N 2 2 229.368 0.298 20 0 BCADLP [NH3+][C@]1(CO)CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000923470815 644450260 /nfs/dbraw/zinc/45/02/60/644450260.db2.gz BMNPWDULVIMRIJ-NWDGAFQWSA-N 2 2 228.336 0.341 20 0 BCADLP [NH3+][C@]1(CO)CCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000923470815 644450261 /nfs/dbraw/zinc/45/02/61/644450261.db2.gz BMNPWDULVIMRIJ-NWDGAFQWSA-N 2 2 228.336 0.341 20 0 BCADLP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923469604 644451832 /nfs/dbraw/zinc/45/18/32/644451832.db2.gz BBWNVBNZJGOAIH-STQMWFEESA-N 2 2 244.379 0.569 20 0 BCADLP CC(C)CC[C@H](O)C[N@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923469604 644451835 /nfs/dbraw/zinc/45/18/35/644451835.db2.gz BBWNVBNZJGOAIH-STQMWFEESA-N 2 2 244.379 0.569 20 0 BCADLP C[C@H]1C[N@H+](CCc2c[nH+]cn2C)CC[C@H]1C[NH3+] ZINC000923491539 644467255 /nfs/dbraw/zinc/46/72/55/644467255.db2.gz SQUZYMMGRMRLDD-RYUDHWBXSA-N 3 2 236.363 0.879 20 0 BCADLP C[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CC[C@H]1C[NH3+] ZINC000923491539 644467259 /nfs/dbraw/zinc/46/72/59/644467259.db2.gz SQUZYMMGRMRLDD-RYUDHWBXSA-N 3 2 236.363 0.879 20 0 BCADLP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923507327 644476018 /nfs/dbraw/zinc/47/60/18/644476018.db2.gz AZZQGQZSLHZRHO-GRYCIOLGSA-N 2 2 230.352 0.299 20 0 BCADLP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923507327 644476025 /nfs/dbraw/zinc/47/60/25/644476025.db2.gz AZZQGQZSLHZRHO-GRYCIOLGSA-N 2 2 230.352 0.299 20 0 BCADLP CN(C)C(=O)CC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923534869 644487767 /nfs/dbraw/zinc/48/77/67/644487767.db2.gz YLHDXRPKJVGELU-ZDUSSCGKSA-N 2 2 239.363 0.683 20 0 BCADLP CN(C)C(=O)CC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923534869 644487772 /nfs/dbraw/zinc/48/77/72/644487772.db2.gz YLHDXRPKJVGELU-ZDUSSCGKSA-N 2 2 239.363 0.683 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000089741630 644564371 /nfs/dbraw/zinc/56/43/71/644564371.db2.gz XMXKBAGBNCMSBC-MNOVXSKESA-N 2 2 236.319 0.387 20 0 BCADLP CCC[N@H+](C[C@H](O)COCC)[C@H]1CC[NH2+]C1 ZINC000249738624 644738854 /nfs/dbraw/zinc/73/88/54/644738854.db2.gz CYPMDXBABPRYAD-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP CCC[N@@H+](C[C@H](O)COCC)[C@H]1CC[NH2+]C1 ZINC000249738624 644738861 /nfs/dbraw/zinc/73/88/61/644738861.db2.gz CYPMDXBABPRYAD-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP CCOC[C@H](O)C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000250479467 644759411 /nfs/dbraw/zinc/75/94/11/644759411.db2.gz FNRNATYARNXADZ-WDEREUQCSA-N 2 2 216.325 0.197 20 0 BCADLP CCOC[C@H](O)C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000250479467 644759416 /nfs/dbraw/zinc/75/94/16/644759416.db2.gz FNRNATYARNXADZ-WDEREUQCSA-N 2 2 216.325 0.197 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000304337038 644893583 /nfs/dbraw/zinc/89/35/83/644893583.db2.gz IIJBPBZGDRJTKC-NSHDSACASA-N 2 2 225.336 0.278 20 0 BCADLP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000926753110 645402776 /nfs/dbraw/zinc/40/27/76/645402776.db2.gz QPJKTSWFJIUQJT-SDDRHHMPSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000926753110 645402783 /nfs/dbraw/zinc/40/27/83/645402783.db2.gz QPJKTSWFJIUQJT-SDDRHHMPSA-N 2 2 239.363 0.727 20 0 BCADLP CCn1ncc(C[NH2+]CCc2c[nH+]cn2C)n1 ZINC000857783068 645667953 /nfs/dbraw/zinc/66/79/53/645667953.db2.gz RPQQXJVKIAXAHZ-UHFFFAOYSA-N 2 2 234.307 0.364 20 0 BCADLP C[C@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+]1C ZINC000928430497 645748260 /nfs/dbraw/zinc/74/82/60/645748260.db2.gz XTVHPTWWEXUBIV-LNFKQOIKSA-N 2 2 248.330 0.722 20 0 BCADLP C[C@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+]1C ZINC000928430497 645748269 /nfs/dbraw/zinc/74/82/69/645748269.db2.gz XTVHPTWWEXUBIV-LNFKQOIKSA-N 2 2 248.330 0.722 20 0 BCADLP C[C@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000928430497 645748273 /nfs/dbraw/zinc/74/82/73/645748273.db2.gz XTVHPTWWEXUBIV-LNFKQOIKSA-N 2 2 248.330 0.722 20 0 BCADLP C[C@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@H+]1C ZINC000928430497 645748278 /nfs/dbraw/zinc/74/82/78/645748278.db2.gz XTVHPTWWEXUBIV-LNFKQOIKSA-N 2 2 248.330 0.722 20 0 BCADLP C[C@@H]1[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1C ZINC000928443012 645765755 /nfs/dbraw/zinc/76/57/55/645765755.db2.gz SBWTXWWABMMOTM-MWLCHTKSSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@@H]1[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1C ZINC000928443012 645765761 /nfs/dbraw/zinc/76/57/61/645765761.db2.gz SBWTXWWABMMOTM-MWLCHTKSSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@@H]1[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000928443012 645765765 /nfs/dbraw/zinc/76/57/65/645765765.db2.gz SBWTXWWABMMOTM-MWLCHTKSSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@@H]1[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000928443012 645765772 /nfs/dbraw/zinc/76/57/72/645765772.db2.gz SBWTXWWABMMOTM-MWLCHTKSSA-N 2 2 236.319 0.551 20 0 BCADLP c1cn(CCC[NH2+][C@H]2CN3C[C@@H]2CCC3)c[nH+]1 ZINC000924533793 646052443 /nfs/dbraw/zinc/05/24/43/646052443.db2.gz LZHSCQIIACCRHU-STQMWFEESA-N 2 2 234.347 0.957 20 0 BCADLP O=C(NCC[NH2+][C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925506756 646306998 /nfs/dbraw/zinc/30/69/98/646306998.db2.gz XERPRUCBTZNMGR-NSHDSACASA-N 2 2 237.347 0.387 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCNC(=O)C1CC1 ZINC000925507450 646308001 /nfs/dbraw/zinc/30/80/01/646308001.db2.gz BCRMZBRWWIHNMJ-JTQLQIEISA-N 2 2 225.336 0.243 20 0 BCADLP CC(C)OCCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925508151 646308409 /nfs/dbraw/zinc/30/84/09/646308409.db2.gz YXCMCTYNZXOMRO-LLVKDONJSA-N 2 2 216.325 0.380 20 0 BCADLP CC1(C)[C@H]([NH2+][C@@H]2C[NH2+]CCOC2)[C@H]2CCO[C@@H]21 ZINC000925521228 646314388 /nfs/dbraw/zinc/31/43/88/646314388.db2.gz JCHZVYNNBILBFG-KKOKHZNYSA-N 2 2 240.347 0.378 20 0 BCADLP CS[C@@H]1CC[C@@H]([NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925524815 646315323 /nfs/dbraw/zinc/31/53/23/646315323.db2.gz ZWVWSLYBKUCBDY-OUAUKWLOSA-N 2 2 230.377 0.849 20 0 BCADLP COCCOCCCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925539795 646321543 /nfs/dbraw/zinc/32/15/43/646321543.db2.gz DBOGYHNGCONAOX-GFCCVEGCSA-N 2 2 246.351 0.008 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCNc1cnccn1 ZINC000925555726 646331217 /nfs/dbraw/zinc/33/12/17/646331217.db2.gz ITHDAOYJGCGADS-QWRGUYRKSA-N 2 2 235.335 0.619 20 0 BCADLP c1cnc(NCC[NH2+][C@@H]2CC[NH2+]C23CCC3)cn1 ZINC000925556729 646333262 /nfs/dbraw/zinc/33/32/62/646333262.db2.gz MHOVDXUGKPCVIQ-LLVKDONJSA-N 2 2 247.346 0.763 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCOC[C@H]1CCOC1 ZINC000925566958 646337833 /nfs/dbraw/zinc/33/78/33/646337833.db2.gz MRABNFCORAJXKU-RWMBFGLXSA-N 2 2 242.363 0.770 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCn1cncn1 ZINC000925590506 646348216 /nfs/dbraw/zinc/34/82/16/646348216.db2.gz QUVQRPSXMXMIQY-VIFPVBQESA-N 2 2 209.297 0.008 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CCn1cncn1 ZINC000925590505 646348810 /nfs/dbraw/zinc/34/88/10/646348810.db2.gz QUVQRPSXMXMIQY-SECBINFHSA-N 2 2 209.297 0.008 20 0 BCADLP C[C@@H]([NH3+])[C@H]([NH2+]CCn1cncn1)c1ccccc1 ZINC000925588852 646349733 /nfs/dbraw/zinc/34/97/33/646349733.db2.gz AMPRVFWHEHQIFK-YPMHNXCESA-N 2 2 245.330 0.956 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CCOC2)CCO1 ZINC000925629314 646374052 /nfs/dbraw/zinc/37/40/52/646374052.db2.gz JBVZVEUXBUBYHW-OUAUKWLOSA-N 2 2 214.309 0.132 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CCOC2)CCO1 ZINC000925629313 646374275 /nfs/dbraw/zinc/37/42/75/646374275.db2.gz JBVZVEUXBUBYHW-MXWKQRLJSA-N 2 2 214.309 0.132 20 0 BCADLP C[C@@H]1C[C@@H](CC[NH2+][C@H]2C[NH2+]CCOC2)CCO1 ZINC000925637642 646379554 /nfs/dbraw/zinc/37/95/54/646379554.db2.gz PERSBPATUFXPQY-AGIUHOORSA-N 2 2 242.363 0.770 20 0 BCADLP OCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925644770 646385325 /nfs/dbraw/zinc/38/53/25/646385325.db2.gz NQGGQSJZGHQXLW-QJPTWQEYSA-N 2 2 228.336 0.116 20 0 BCADLP CCSCCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925662867 646394091 /nfs/dbraw/zinc/39/40/91/646394091.db2.gz NYZQYIDNNVOHDL-JTQLQIEISA-N 2 2 218.366 0.708 20 0 BCADLP CCOCC(C)(C)C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925669140 646399689 /nfs/dbraw/zinc/39/96/89/646399689.db2.gz PRFVYYQOYXOFPC-NSHDSACASA-N 2 2 230.352 0.627 20 0 BCADLP COC[C@H](O)C[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925668779 646399943 /nfs/dbraw/zinc/39/99/43/646399943.db2.gz ZWHBTHIWHYZRLQ-RTXFEEFZSA-N 2 2 238.331 0.672 20 0 BCADLP COC[C@@H](O)C[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925668776 646401515 /nfs/dbraw/zinc/40/15/15/646401515.db2.gz ZWHBTHIWHYZRLQ-DRZSPHRISA-N 2 2 238.331 0.672 20 0 BCADLP COCC(C)(C)C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925673084 646402704 /nfs/dbraw/zinc/40/27/04/646402704.db2.gz MHGUIHOZZQGPST-JTQLQIEISA-N 2 2 216.325 0.237 20 0 BCADLP C(C[NH2+][C@H]1C[NH2+]CCOC1)CC1CCOCC1 ZINC000925680596 646408802 /nfs/dbraw/zinc/40/88/02/646408802.db2.gz QOIWJBQLUGKCRD-ZDUSSCGKSA-N 2 2 242.363 0.771 20 0 BCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925693539 646420246 /nfs/dbraw/zinc/42/02/46/646420246.db2.gz SHXOQOPYHRNULB-GHMZBOCLSA-N 2 2 248.392 0.541 20 0 BCADLP C[C@@H]1C[C@H](C[NH2+][C@H]2C[NH2+]CCOC2)[C@H](C)O1 ZINC000925696579 646421704 /nfs/dbraw/zinc/42/17/04/646421704.db2.gz KWIYCWAVVLADBK-KXNHARMFSA-N 2 2 228.336 0.378 20 0 BCADLP [NH3+][C@H]1C[C@H]([NH2+]CCC[NH2+]C2CC2)C12CCC2 ZINC000925711441 646436273 /nfs/dbraw/zinc/43/62/73/646436273.db2.gz ZDGVWUWIVYCDOU-RYUDHWBXSA-N 3 2 223.364 0.988 20 0 BCADLP [NH3+][C@@H]1C[C@H]([NH2+]CCC[NH2+]C2CC2)C12CCC2 ZINC000925711437 646437736 /nfs/dbraw/zinc/43/77/36/646437736.db2.gz ZDGVWUWIVYCDOU-NEPJUHHUSA-N 3 2 223.364 0.988 20 0 BCADLP Cc1[nH]c(C[N@H+]2C[C@@H](O)C[C@H]2C)c(C)[nH+]1 ZINC000930124790 646437934 /nfs/dbraw/zinc/43/79/34/646437934.db2.gz KCANODHGROQBHM-XCBNKYQSSA-N 2 2 209.293 0.982 20 0 BCADLP Cc1[nH]c(C[N@@H+]2C[C@@H](O)C[C@H]2C)c(C)[nH+]1 ZINC000930124790 646437940 /nfs/dbraw/zinc/43/79/40/646437940.db2.gz KCANODHGROQBHM-XCBNKYQSSA-N 2 2 209.293 0.982 20 0 BCADLP COC1CC(CC[NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925713674 646439662 /nfs/dbraw/zinc/43/96/62/646439662.db2.gz MNUKZWCZWZRKSV-MOENNCHZSA-N 2 2 228.336 0.380 20 0 BCADLP CC[C@H]([NH2+][C@H]1C[NH2+]CCOC1)[C@H]1CCCOC1 ZINC000925768924 646471684 /nfs/dbraw/zinc/47/16/84/646471684.db2.gz MMNJQZHPURXDLA-AVGNSLFASA-N 2 2 242.363 0.770 20 0 BCADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cnn(C)n1 ZINC000925811672 646489555 /nfs/dbraw/zinc/48/95/55/646489555.db2.gz DTUSEZCGGZRWHU-ZJUUUORDSA-N 2 2 246.318 0.677 20 0 BCADLP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000925816407 646492759 /nfs/dbraw/zinc/49/27/59/646492759.db2.gz GOCCUGIWBBLLIG-YPMHNXCESA-N 3 2 240.395 0.140 20 0 BCADLP Cc1cc(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)nn1C ZINC000925834688 646502798 /nfs/dbraw/zinc/50/27/98/646502798.db2.gz NWUVNYVZGAZKLD-GWCFXTLKSA-N 2 2 236.363 0.859 20 0 BCADLP CCO[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)C[NH+](C)C ZINC000925838277 646504618 /nfs/dbraw/zinc/50/46/18/646504618.db2.gz KYADGUOGAQERBJ-STQMWFEESA-N 3 2 243.395 0.685 20 0 BCADLP CCO[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])C[NH+](C)C ZINC000925838115 646504788 /nfs/dbraw/zinc/50/47/88/646504788.db2.gz JXJNTXNGEDBMQT-IJLUTSLNSA-N 3 2 231.384 0.669 20 0 BCADLP C1C[C@H]2C[C@@H]([NH2+][C@H]3CNOC3)CC[N@@H+]2C1 ZINC000925870256 646522184 /nfs/dbraw/zinc/52/21/84/646522184.db2.gz CDOYFWYNQUASSM-DCAQKATOSA-N 2 2 211.309 0.106 20 0 BCADLP C1C[C@H]2C[C@@H]([NH2+][C@H]3CNOC3)CC[N@H+]2C1 ZINC000925870256 646522189 /nfs/dbraw/zinc/52/21/89/646522189.db2.gz CDOYFWYNQUASSM-DCAQKATOSA-N 2 2 211.309 0.106 20 0 BCADLP C[C@@H]([NH2+]C[C@H](O)c1ccnn1C)[C@H]1CCC[NH2+]1 ZINC000925890732 646533465 /nfs/dbraw/zinc/53/34/65/646533465.db2.gz QULPRYXNBITTKK-FOGDFJRCSA-N 2 2 238.335 0.184 20 0 BCADLP C[C@H]([NH2+]C[C@@H](O)c1ccnn1C)[C@@H]1CCC[NH2+]1 ZINC000925890735 646533528 /nfs/dbraw/zinc/53/35/28/646533528.db2.gz QULPRYXNBITTKK-JBLDHEPKSA-N 2 2 238.335 0.184 20 0 BCADLP C[C@@H]([NH2+]C[C@H](O)c1ccnn1C)[C@@H]1CCC[NH2+]1 ZINC000925890740 646534141 /nfs/dbraw/zinc/53/41/41/646534141.db2.gz QULPRYXNBITTKK-SCVCMEIPSA-N 2 2 238.335 0.184 20 0 BCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccns1 ZINC000926174878 646588648 /nfs/dbraw/zinc/58/86/48/646588648.db2.gz STUMFTDFZVWMTN-GXSJLCMTSA-N 2 2 241.360 0.860 20 0 BCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccns1 ZINC000926174878 646588650 /nfs/dbraw/zinc/58/86/50/646588650.db2.gz STUMFTDFZVWMTN-GXSJLCMTSA-N 2 2 241.360 0.860 20 0 BCADLP O[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926224204 646599360 /nfs/dbraw/zinc/59/93/60/646599360.db2.gz FUCIDVJVSAHPJK-CYDGBPFRSA-N 2 2 224.348 0.974 20 0 BCADLP O[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926224204 646599366 /nfs/dbraw/zinc/59/93/66/646599366.db2.gz FUCIDVJVSAHPJK-CYDGBPFRSA-N 2 2 224.348 0.974 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cnnn1C ZINC000926449039 646640391 /nfs/dbraw/zinc/64/03/91/646640391.db2.gz CKESITWGEWXRHV-RKDXNWHRSA-N 2 2 246.318 0.746 20 0 BCADLP C[C@H](C[NH2+][C@H](C)c1cnnn1C)C[NH+](C)C ZINC000926476061 646653416 /nfs/dbraw/zinc/65/34/16/646653416.db2.gz XCXDMTSFZUIKBY-NXEZZACHSA-N 2 2 225.340 0.663 20 0 BCADLP Cc1cn(C)nc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000723966038 711548047 /nfs/dbraw/zinc/54/80/47/711548047.db2.gz WQGIFSUGLBKDJX-LLVKDONJSA-N 2 2 222.336 0.899 20 0 BCADLP Cc1cn(C)nc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000723966038 711548049 /nfs/dbraw/zinc/54/80/49/711548049.db2.gz WQGIFSUGLBKDJX-LLVKDONJSA-N 2 2 222.336 0.899 20 0 BCADLP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ncccn1 ZINC000705288523 712127612 /nfs/dbraw/zinc/12/76/12/712127612.db2.gz JJJRFTHXJFDJPS-NXEZZACHSA-N 2 2 206.293 0.694 20 0 BCADLP CS(=O)(=O)C1CC([NH2+]CCn2cc[nH+]c2)C1 ZINC000716077018 712549606 /nfs/dbraw/zinc/54/96/06/712549606.db2.gz VWHAOWFDUUXTBP-UHFFFAOYSA-N 2 2 243.332 0.048 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CC2OCCCO2)n1C ZINC000716371788 712556878 /nfs/dbraw/zinc/55/68/78/712556878.db2.gz OXQOYXQISFYYSK-UHFFFAOYSA-N 2 2 225.292 0.581 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CCCF ZINC000716746983 712571958 /nfs/dbraw/zinc/57/19/58/712571958.db2.gz HMOCLAKDSNOJSR-NSHDSACASA-N 2 2 236.331 0.217 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CCCF ZINC000716746983 712571959 /nfs/dbraw/zinc/57/19/59/712571959.db2.gz HMOCLAKDSNOJSR-NSHDSACASA-N 2 2 236.331 0.217 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CCCF ZINC000716746983 712571960 /nfs/dbraw/zinc/57/19/60/712571960.db2.gz HMOCLAKDSNOJSR-NSHDSACASA-N 2 2 236.331 0.217 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CCCF ZINC000716746983 712571961 /nfs/dbraw/zinc/57/19/61/712571961.db2.gz HMOCLAKDSNOJSR-NSHDSACASA-N 2 2 236.331 0.217 20 0 BCADLP Cn1cnc(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000379807240 712605225 /nfs/dbraw/zinc/60/52/25/712605225.db2.gz OHMULEXOQVZNOE-UHFFFAOYSA-N 2 2 205.265 0.406 20 0 BCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)C1CC1 ZINC000717410954 712656512 /nfs/dbraw/zinc/65/65/12/712656512.db2.gz DCZPBDFIGCBICY-XQQFMLRXSA-N 2 2 224.348 0.926 20 0 BCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)C1CC1 ZINC000717410954 712656514 /nfs/dbraw/zinc/65/65/14/712656514.db2.gz DCZPBDFIGCBICY-XQQFMLRXSA-N 2 2 224.348 0.926 20 0 BCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H](O)C1CC1 ZINC000717410954 712656516 /nfs/dbraw/zinc/65/65/16/712656516.db2.gz DCZPBDFIGCBICY-XQQFMLRXSA-N 2 2 224.348 0.926 20 0 BCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H](O)C1CC1 ZINC000717410954 712656518 /nfs/dbraw/zinc/65/65/18/712656518.db2.gz DCZPBDFIGCBICY-XQQFMLRXSA-N 2 2 224.348 0.926 20 0 BCADLP OC/C=C\C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000717530171 712660800 /nfs/dbraw/zinc/66/08/00/712660800.db2.gz BUCNLHAEANUIIS-QPOGARTISA-N 2 2 208.305 0.121 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CC(=O)N1CCCC1 ZINC000721039941 712887641 /nfs/dbraw/zinc/88/76/41/712887641.db2.gz MMAYVYJCBZLHIB-NEPJUHHUSA-N 2 2 239.363 0.396 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CC(=O)N1CCCC1 ZINC000721039941 712887644 /nfs/dbraw/zinc/88/76/44/712887644.db2.gz MMAYVYJCBZLHIB-NEPJUHHUSA-N 2 2 239.363 0.396 20 0 BCADLP CCN1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)C1=O ZINC000722356578 710708096 /nfs/dbraw/zinc/70/80/96/710708096.db2.gz JZRSHUFENAPILP-LBPRGKRZSA-N 2 2 239.363 0.681 20 0 BCADLP CO[C@@H]1CCOC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000724890151 710748006 /nfs/dbraw/zinc/74/80/06/710748006.db2.gz FJMKLZVPFQAUTP-VXGBXAGGSA-N 2 2 239.319 0.667 20 0 BCADLP CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042547361 710791456 /nfs/dbraw/zinc/79/14/56/710791456.db2.gz NVNPKPKCHTYJQG-LLVKDONJSA-N 2 2 225.336 0.243 20 0 BCADLP CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042547361 710791457 /nfs/dbraw/zinc/79/14/57/710791457.db2.gz NVNPKPKCHTYJQG-LLVKDONJSA-N 2 2 225.336 0.243 20 0 BCADLP CCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000396658135 710907981 /nfs/dbraw/zinc/90/79/81/710907981.db2.gz NUSDAMFLFTXQHQ-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP C[N@H+](C[C@H](O)C(F)(F)F)C1CC([NH3+])C1 ZINC000384732990 710953168 /nfs/dbraw/zinc/95/31/68/710953168.db2.gz KDECDUXWDYKDFS-AHXFUIDQSA-N 2 2 212.215 0.331 20 0 BCADLP C[N@@H+](C[C@H](O)C(F)(F)F)C1CC([NH3+])C1 ZINC000384732990 710953170 /nfs/dbraw/zinc/95/31/70/710953170.db2.gz KDECDUXWDYKDFS-AHXFUIDQSA-N 2 2 212.215 0.331 20 0 BCADLP CNC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000382502845 710972029 /nfs/dbraw/zinc/97/20/29/710972029.db2.gz RVTJGSYSCNBXMN-LLVKDONJSA-N 2 2 225.336 0.339 20 0 BCADLP CNC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C1CC1 ZINC000382502845 710972032 /nfs/dbraw/zinc/97/20/32/710972032.db2.gz RVTJGSYSCNBXMN-LLVKDONJSA-N 2 2 225.336 0.339 20 0 BCADLP COCC(COC)[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000384917400 710999457 /nfs/dbraw/zinc/99/94/57/710999457.db2.gz FTCIDPFNVNDRKA-WPRPVWTQSA-N 2 2 202.298 0.069 20 0 BCADLP COCC(COC)[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000384917400 710999461 /nfs/dbraw/zinc/99/94/61/710999461.db2.gz FTCIDPFNVNDRKA-WPRPVWTQSA-N 2 2 202.298 0.069 20 0 BCADLP COCCOCCOCC[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000385241370 711008361 /nfs/dbraw/zinc/00/83/61/711008361.db2.gz LQNFGDJZWQYXMU-VXGBXAGGSA-N 2 2 246.351 0.088 20 0 BCADLP COCCOCCOCC[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000385241370 711008362 /nfs/dbraw/zinc/00/83/62/711008362.db2.gz LQNFGDJZWQYXMU-VXGBXAGGSA-N 2 2 246.351 0.088 20 0 BCADLP C[C@H]([NH3+])CN(C)C(=O)CCn1cc[nH+]c1 ZINC000389607256 711082474 /nfs/dbraw/zinc/08/24/74/711082474.db2.gz ZARXWGTUXPHWMT-VIFPVBQESA-N 2 2 210.281 0.079 20 0 BCADLP CC(C)[C@H](O)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396595689 711358286 /nfs/dbraw/zinc/35/82/86/711358286.db2.gz VTDGJYRQSDHDSK-GMTAPVOTSA-N 2 2 200.326 0.733 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCOCC(F)F ZINC000396608785 711359627 /nfs/dbraw/zinc/35/96/27/711359627.db2.gz DFTFNGGPPXZOBP-BDAKNGLRSA-N 2 2 222.279 0.998 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCn1ccnc1 ZINC000396716362 711365996 /nfs/dbraw/zinc/36/59/96/711365996.db2.gz RHGZHYFMKIISSG-GHMZBOCLSA-N 2 2 208.309 0.613 20 0 BCADLP CO[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000381275689 710616199 /nfs/dbraw/zinc/61/61/99/710616199.db2.gz WVFSDSXPVCJVJR-VXGBXAGGSA-N 2 2 230.352 0.408 20 0 BCADLP CO[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000381275689 710616202 /nfs/dbraw/zinc/61/62/02/710616202.db2.gz WVFSDSXPVCJVJR-VXGBXAGGSA-N 2 2 230.352 0.408 20 0 BCADLP CO[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000381275689 710616205 /nfs/dbraw/zinc/61/62/05/710616205.db2.gz WVFSDSXPVCJVJR-VXGBXAGGSA-N 2 2 230.352 0.408 20 0 BCADLP CO[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000381275689 710616207 /nfs/dbraw/zinc/61/62/07/710616207.db2.gz WVFSDSXPVCJVJR-VXGBXAGGSA-N 2 2 230.352 0.408 20 0 BCADLP COC(=O)/C(C)=C\C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000381328697 710622076 /nfs/dbraw/zinc/62/20/76/710622076.db2.gz SEKOCDLBJSTZCF-FPZBOGFLSA-N 2 2 224.304 0.257 20 0 BCADLP COC(=O)/C(C)=C\C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000381328697 710622079 /nfs/dbraw/zinc/62/20/79/710622079.db2.gz SEKOCDLBJSTZCF-FPZBOGFLSA-N 2 2 224.304 0.257 20 0 BCADLP CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001043100079 710803783 /nfs/dbraw/zinc/80/37/83/710803783.db2.gz SVHVWLOLUJEYEY-LBPRGKRZSA-N 2 2 239.363 0.633 20 0 BCADLP CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001043100079 710803784 /nfs/dbraw/zinc/80/37/84/710803784.db2.gz SVHVWLOLUJEYEY-LBPRGKRZSA-N 2 2 239.363 0.633 20 0 BCADLP CC[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001045253522 710837311 /nfs/dbraw/zinc/83/73/11/710837311.db2.gz IDNCUESJRFJODP-JTQLQIEISA-N 2 2 236.319 0.553 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1NCc1c[nH+]cn1C ZINC000396645274 711362480 /nfs/dbraw/zinc/36/24/80/711362480.db2.gz BYKMIDCYDZVSOJ-KOLCDFICSA-N 2 2 208.309 0.650 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000396702139 711365837 /nfs/dbraw/zinc/36/58/37/711365837.db2.gz LJNKUTHMORHCIT-YPMHNXCESA-N 3 2 223.364 0.978 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000396702139 711365839 /nfs/dbraw/zinc/36/58/39/711365839.db2.gz LJNKUTHMORHCIT-YPMHNXCESA-N 3 2 223.364 0.978 20 0 BCADLP OC[C@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000134393499 711501826 /nfs/dbraw/zinc/50/18/26/711501826.db2.gz SQRTWSFCZSWALG-CYBMUJFWSA-N 2 2 242.363 0.290 20 0 BCADLP CC[NH+]1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000891395391 711510991 /nfs/dbraw/zinc/51/09/91/711510991.db2.gz ZJMNPGGXMODNBH-UHFFFAOYSA-N 2 2 231.303 0.871 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724596357 711596327 /nfs/dbraw/zinc/59/63/27/711596327.db2.gz VSOMCCMFTGZOTJ-RCWTZXSCSA-N 2 2 214.309 0.069 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724596357 711596328 /nfs/dbraw/zinc/59/63/28/711596328.db2.gz VSOMCCMFTGZOTJ-RCWTZXSCSA-N 2 2 214.309 0.069 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724612435 711598587 /nfs/dbraw/zinc/59/85/87/711598587.db2.gz JZOFJQQPYLLJPN-LDMBFOFVSA-N 2 2 226.320 0.212 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724612435 711598589 /nfs/dbraw/zinc/59/85/89/711598589.db2.gz JZOFJQQPYLLJPN-LDMBFOFVSA-N 2 2 226.320 0.212 20 0 BCADLP COC[C@@](C)(CO)[NH2+]Cc1[nH]c(C)[nH+]c1C ZINC000724783854 711613900 /nfs/dbraw/zinc/61/39/00/711613900.db2.gz BGCWDDKCXODCLS-LLVKDONJSA-N 2 2 227.308 0.514 20 0 BCADLP CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000724878870 711622944 /nfs/dbraw/zinc/62/29/44/711622944.db2.gz YRHRZWGLZILZGI-WRWGMCAJSA-N 2 2 228.336 0.520 20 0 BCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC[C@H]1CCCO1 ZINC000925773715 711745354 /nfs/dbraw/zinc/74/53/54/711745354.db2.gz FVLLKFXNBLTNAZ-RWMBFGLXSA-N 2 2 242.363 0.912 20 0 BCADLP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032651495 711931529 /nfs/dbraw/zinc/93/15/29/711931529.db2.gz ALXDGVKVZWIDEL-QWRGUYRKSA-N 2 2 234.303 0.257 20 0 BCADLP CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032651495 711931532 /nfs/dbraw/zinc/93/15/32/711931532.db2.gz ALXDGVKVZWIDEL-QWRGUYRKSA-N 2 2 234.303 0.257 20 0 BCADLP COCCOCCOCC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000132565070 711970228 /nfs/dbraw/zinc/97/02/28/711970228.db2.gz ANHRUHVMGOLTHS-GFCCVEGCSA-N 2 2 246.351 0.089 20 0 BCADLP COCCOCCOCC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000132565070 711970230 /nfs/dbraw/zinc/97/02/30/711970230.db2.gz ANHRUHVMGOLTHS-GFCCVEGCSA-N 2 2 246.351 0.089 20 0 BCADLP CCNC(=O)C[N@H+](CC)C[C@H]1CCCC[NH2+]C1 ZINC000700383311 711991635 /nfs/dbraw/zinc/99/16/35/711991635.db2.gz HZULZVGYGFWGCY-LBPRGKRZSA-N 2 2 241.379 0.834 20 0 BCADLP CCNC(=O)C[N@@H+](CC)C[C@H]1CCCC[NH2+]C1 ZINC000700383311 711991636 /nfs/dbraw/zinc/99/16/36/711991636.db2.gz HZULZVGYGFWGCY-LBPRGKRZSA-N 2 2 241.379 0.834 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC(=O)N1CCCC1)C2 ZINC000702075948 712038016 /nfs/dbraw/zinc/03/80/16/712038016.db2.gz INYVAHSNPGCYIN-WCQYABFASA-N 2 2 237.347 0.150 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC(=O)N1CCCC1)C2 ZINC000702075948 712038017 /nfs/dbraw/zinc/03/80/17/712038017.db2.gz INYVAHSNPGCYIN-WCQYABFASA-N 2 2 237.347 0.150 20 0 BCADLP C[N@@H+]1C[C@@H]2C[NH+](C[C@]3(C)CC[NH2+]C3)C[C@]2(C)C1 ZINC000702470239 712053897 /nfs/dbraw/zinc/05/38/97/712053897.db2.gz OYUZAUSHXABCHF-MCIONIFRSA-N 3 2 237.391 0.870 20 0 BCADLP C[N@H+]1C[C@@H]2C[NH+](C[C@]3(C)CC[NH2+]C3)C[C@]2(C)C1 ZINC000702470239 712053898 /nfs/dbraw/zinc/05/38/98/712053898.db2.gz OYUZAUSHXABCHF-MCIONIFRSA-N 3 2 237.391 0.870 20 0 BCADLP C[NH+]1C[C@@H]2C[N@H+](C[C@]3(C)CC[NH2+]C3)C[C@]2(C)C1 ZINC000702470239 712053899 /nfs/dbraw/zinc/05/38/99/712053899.db2.gz OYUZAUSHXABCHF-MCIONIFRSA-N 3 2 237.391 0.870 20 0 BCADLP C[NH+]1C[C@@H]2C[N@@H+](C[C@]3(C)CC[NH2+]C3)C[C@]2(C)C1 ZINC000702470239 712053900 /nfs/dbraw/zinc/05/39/00/712053900.db2.gz OYUZAUSHXABCHF-MCIONIFRSA-N 3 2 237.391 0.870 20 0 BCADLP c1ccc(N2CCC([NH2+][C@H]3CNOC3)CC2)[nH+]c1 ZINC000703381707 712074694 /nfs/dbraw/zinc/07/46/94/712074694.db2.gz HOHAYRGYFZQGIM-LBPRGKRZSA-N 2 2 248.330 0.543 20 0 BCADLP [NH3+][C@H]1CCCCC[N@H+](CCN2CCOC2=O)C1 ZINC000709011646 712205802 /nfs/dbraw/zinc/20/58/02/712205802.db2.gz CFELHPHKNOJTSF-NSHDSACASA-N 2 2 241.335 0.642 20 0 BCADLP [NH3+][C@H]1CCCCC[N@@H+](CCN2CCOC2=O)C1 ZINC000709011646 712205804 /nfs/dbraw/zinc/20/58/04/712205804.db2.gz CFELHPHKNOJTSF-NSHDSACASA-N 2 2 241.335 0.642 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000373107280 712284590 /nfs/dbraw/zinc/28/45/90/712284590.db2.gz RETPRQHPJMMRMI-MNOVXSKESA-N 2 2 248.330 0.488 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC000373107280 712284591 /nfs/dbraw/zinc/28/45/91/712284591.db2.gz RETPRQHPJMMRMI-MNOVXSKESA-N 2 2 248.330 0.488 20 0 BCADLP CCN1CC[C@H]1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000712577589 712432986 /nfs/dbraw/zinc/43/29/86/712432986.db2.gz GTYNJGOTMVJWCR-QWHCGFSZSA-N 2 2 241.379 0.125 20 0 BCADLP CCN1CC[C@H]1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000712577589 712432987 /nfs/dbraw/zinc/43/29/87/712432987.db2.gz GTYNJGOTMVJWCR-QWHCGFSZSA-N 2 2 241.379 0.125 20 0 BCADLP C[N@@H+]1CC[C@H]1CNC1CC[NH+](C2CC2)CC1 ZINC000712555856 712444988 /nfs/dbraw/zinc/44/49/88/712444988.db2.gz HZFBAKTUVLCHOC-ZDUSSCGKSA-N 2 2 223.364 0.907 20 0 BCADLP C[N@H+]1CC[C@H]1CNC1CC[NH+](C2CC2)CC1 ZINC000712555856 712444989 /nfs/dbraw/zinc/44/49/89/712444989.db2.gz HZFBAKTUVLCHOC-ZDUSSCGKSA-N 2 2 223.364 0.907 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)C[C@H]1CC2(CO1)CCOCC2 ZINC000712698680 712448708 /nfs/dbraw/zinc/44/87/08/712448708.db2.gz RZMKKRKQSKVQAT-NWDGAFQWSA-N 2 2 242.363 0.851 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@H]1CC2(CO1)CCOCC2 ZINC000712698680 712448709 /nfs/dbraw/zinc/44/87/09/712448709.db2.gz RZMKKRKQSKVQAT-NWDGAFQWSA-N 2 2 242.363 0.851 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715172832 712513203 /nfs/dbraw/zinc/51/32/03/712513203.db2.gz HGZTXJIDWNHMAL-XPUUQOCRSA-N 2 2 244.245 0.174 20 0 BCADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C[NH3+] ZINC000036999249 712528762 /nfs/dbraw/zinc/52/87/62/712528762.db2.gz NXGDNXUVDXKEJI-SECBINFHSA-N 2 2 224.308 0.373 20 0 BCADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC000715569703 712529438 /nfs/dbraw/zinc/52/94/38/712529438.db2.gz KXPORYUEBVKCNZ-MNOVXSKESA-N 2 2 248.392 0.493 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715858033 712537394 /nfs/dbraw/zinc/53/73/94/712537394.db2.gz JXZQWOJBKHZPHF-VIFPVBQESA-N 2 2 234.307 0.671 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715884614 712539875 /nfs/dbraw/zinc/53/98/75/712539875.db2.gz OUAIYXGLKQDBBZ-ZJUUUORDSA-N 2 2 234.307 0.751 20 0 BCADLP Cc1cn[nH]c1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000716454128 712562035 /nfs/dbraw/zinc/56/20/35/712562035.db2.gz VAYXMWBKZBVKIU-ZJUUUORDSA-N 2 2 208.309 0.934 20 0 BCADLP Cc1c[nH]nc1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000716454128 712562036 /nfs/dbraw/zinc/56/20/36/712562036.db2.gz VAYXMWBKZBVKIU-ZJUUUORDSA-N 2 2 208.309 0.934 20 0 BCADLP OC[C@H](CC(F)F)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000717826258 712682017 /nfs/dbraw/zinc/68/20/17/712682017.db2.gz VVRNIKQCCOFNJR-FJGLPXQJSA-N 2 2 246.301 0.589 20 0 BCADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000073496181 712720733 /nfs/dbraw/zinc/72/07/33/712720733.db2.gz NHNHUXZEBNBZOM-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000073496181 712720736 /nfs/dbraw/zinc/72/07/36/712720736.db2.gz NHNHUXZEBNBZOM-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000073496180 712720774 /nfs/dbraw/zinc/72/07/74/712720774.db2.gz NHNHUXZEBNBZOM-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000073496180 712720775 /nfs/dbraw/zinc/72/07/75/712720775.db2.gz NHNHUXZEBNBZOM-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)c1ccccc1 ZINC000037888334 712780647 /nfs/dbraw/zinc/78/06/47/712780647.db2.gz BFIIRBQZBZZHBR-STQMWFEESA-N 2 2 238.331 0.232 20 0 BCADLP C[C@H](CO)C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000720349379 712832293 /nfs/dbraw/zinc/83/22/93/712832293.db2.gz DMOXVBUDBVVEQU-SRVKXCTJSA-N 2 2 212.337 0.783 20 0 BCADLP C[C@H](CO)C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000720349379 712832294 /nfs/dbraw/zinc/83/22/94/712832294.db2.gz DMOXVBUDBVVEQU-SRVKXCTJSA-N 2 2 212.337 0.783 20 0 BCADLP C[C@H](CO)C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720349379 712832296 /nfs/dbraw/zinc/83/22/96/712832296.db2.gz DMOXVBUDBVVEQU-SRVKXCTJSA-N 2 2 212.337 0.783 20 0 BCADLP C[C@H](CO)C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720349379 712832297 /nfs/dbraw/zinc/83/22/97/712832297.db2.gz DMOXVBUDBVVEQU-SRVKXCTJSA-N 2 2 212.337 0.783 20 0 BCADLP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CCO1 ZINC000720423791 712841913 /nfs/dbraw/zinc/84/19/13/712841913.db2.gz FLXXGLCVSTWGJZ-YPMHNXCESA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CCO1 ZINC000720423791 712841916 /nfs/dbraw/zinc/84/19/16/712841916.db2.gz FLXXGLCVSTWGJZ-YPMHNXCESA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CCO1 ZINC000720423791 712841919 /nfs/dbraw/zinc/84/19/19/712841919.db2.gz FLXXGLCVSTWGJZ-YPMHNXCESA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CCO1 ZINC000720423791 712841920 /nfs/dbraw/zinc/84/19/20/712841920.db2.gz FLXXGLCVSTWGJZ-YPMHNXCESA-N 2 2 242.363 0.552 20 0 BCADLP CC[C@@H](O)C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000720483059 712846835 /nfs/dbraw/zinc/84/68/35/712846835.db2.gz SYYUJJJUJSIBTH-WOPDTQHZSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@@H](O)C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000720483059 712846837 /nfs/dbraw/zinc/84/68/37/712846837.db2.gz SYYUJJJUJSIBTH-WOPDTQHZSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@@H](O)C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720483059 712846839 /nfs/dbraw/zinc/84/68/39/712846839.db2.gz SYYUJJJUJSIBTH-WOPDTQHZSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@@H](O)C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720483059 712846841 /nfs/dbraw/zinc/84/68/41/712846841.db2.gz SYYUJJJUJSIBTH-WOPDTQHZSA-N 2 2 212.337 0.926 20 0 BCADLP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)nn1 ZINC000720577686 712853863 /nfs/dbraw/zinc/85/38/63/712853863.db2.gz KPPNWXUQYZRORM-BETUJISGSA-N 2 2 232.331 0.745 20 0 BCADLP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)nn1 ZINC000720577686 712853865 /nfs/dbraw/zinc/85/38/65/712853865.db2.gz KPPNWXUQYZRORM-BETUJISGSA-N 2 2 232.331 0.745 20 0 BCADLP COC(=O)CCCC[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720728113 712862784 /nfs/dbraw/zinc/86/27/84/712862784.db2.gz PEHHNEHONLSYAX-JTQLQIEISA-N 2 2 228.336 0.999 20 0 BCADLP COC(=O)CCCC[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720728113 712862785 /nfs/dbraw/zinc/86/27/85/712862785.db2.gz PEHHNEHONLSYAX-JTQLQIEISA-N 2 2 228.336 0.999 20 0 BCADLP CCOC[C@H](O)C[N@H+](CC[NH2+]C)C(C)C ZINC000720750216 712863880 /nfs/dbraw/zinc/86/38/80/712863880.db2.gz WSWPOFQKASELHC-LLVKDONJSA-N 2 2 218.341 0.314 20 0 BCADLP CCOC[C@H](O)C[N@@H+](CC[NH2+]C)C(C)C ZINC000720750216 712863881 /nfs/dbraw/zinc/86/38/81/712863881.db2.gz WSWPOFQKASELHC-LLVKDONJSA-N 2 2 218.341 0.314 20 0 BCADLP CC(=O)N1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000721039883 712887899 /nfs/dbraw/zinc/88/78/99/712887899.db2.gz LBUOKUXWKIEZRL-PWSUYJOCSA-N 2 2 225.336 0.006 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2(CC(N)=O)CC2)C1 ZINC000421354907 192322173 /nfs/dbraw/zinc/32/21/73/192322173.db2.gz XSDNWEXXMCWKGZ-WDEREUQCSA-N 2 2 239.363 0.572 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2(CC(N)=O)CC2)C1 ZINC000421354907 192322174 /nfs/dbraw/zinc/32/21/74/192322174.db2.gz XSDNWEXXMCWKGZ-WDEREUQCSA-N 2 2 239.363 0.572 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCc2ncn(C)n2)C[N@@H+]1C1CC1 ZINC000161719276 349489619 /nfs/dbraw/zinc/48/96/19/349489619.db2.gz BUDCRESREKXDMS-GHMZBOCLSA-N 2 2 249.362 0.572 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCc2ncn(C)n2)C[N@H+]1C1CC1 ZINC000161719276 349489622 /nfs/dbraw/zinc/48/96/22/349489622.db2.gz BUDCRESREKXDMS-GHMZBOCLSA-N 2 2 249.362 0.572 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCc2ncn(C)n2)C[N@@H+]1C1CC1 ZINC000161719181 349489790 /nfs/dbraw/zinc/48/97/90/349489790.db2.gz BUDCRESREKXDMS-QWRGUYRKSA-N 2 2 249.362 0.572 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCc2ncn(C)n2)C[N@H+]1C1CC1 ZINC000161719181 349489791 /nfs/dbraw/zinc/48/97/91/349489791.db2.gz BUDCRESREKXDMS-QWRGUYRKSA-N 2 2 249.362 0.572 20 0 BCADLP c1nc(NC2C[NH2+]C2)cc(NC2CC2)[nH+]1 ZINC000258582949 349507708 /nfs/dbraw/zinc/50/77/08/349507708.db2.gz FIRCJCGIITVSGT-UHFFFAOYSA-N 2 2 205.265 0.435 20 0 BCADLP CC[NH+](CC)CC(=O)NCCCn1cc[nH+]c1 ZINC000299228777 398149730 /nfs/dbraw/zinc/14/97/30/398149730.db2.gz PUONXPAPXQLBDL-UHFFFAOYSA-N 2 2 238.335 0.731 20 0 BCADLP C[C@H](CCO)[N@H+](C)CCc1c[nH+]cn1C ZINC000649870975 398153428 /nfs/dbraw/zinc/15/34/28/398153428.db2.gz OSUCXNBECGVBFE-SNVBAGLBSA-N 2 2 211.309 0.665 20 0 BCADLP C[C@H](CCO)[N@@H+](C)CCc1c[nH+]cn1C ZINC000649870975 398153430 /nfs/dbraw/zinc/15/34/30/398153430.db2.gz OSUCXNBECGVBFE-SNVBAGLBSA-N 2 2 211.309 0.665 20 0 BCADLP CCCCNC(=O)CC[N@@H+]1CCC[C@H]([NH2+]C)C1 ZINC000339898203 398179877 /nfs/dbraw/zinc/17/98/77/398179877.db2.gz GYBJDTZDSBVPJO-LBPRGKRZSA-N 2 2 241.379 0.977 20 0 BCADLP CCCCNC(=O)CC[N@H+]1CCC[C@H]([NH2+]C)C1 ZINC000339898203 398179878 /nfs/dbraw/zinc/17/98/78/398179878.db2.gz GYBJDTZDSBVPJO-LBPRGKRZSA-N 2 2 241.379 0.977 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)CC1([NH3+])CCC1 ZINC000380244019 398190783 /nfs/dbraw/zinc/19/07/83/398190783.db2.gz WXHDHEXNPREHGS-UHFFFAOYSA-N 2 2 222.292 0.606 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C[NH3+])o1 ZINC000380216068 398191484 /nfs/dbraw/zinc/19/14/84/398191484.db2.gz JYZKHAYJIQLAFW-UHFFFAOYSA-N 2 2 234.259 0.700 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000386023224 398195397 /nfs/dbraw/zinc/19/53/97/398195397.db2.gz WANNTBHEKATOMB-WOPDTQHZSA-N 2 2 239.363 0.395 20 0 BCADLP CO[C@H](C[NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000386134807 398198101 /nfs/dbraw/zinc/19/81/01/398198101.db2.gz FWBDGMAVLROEES-LLVKDONJSA-N 2 2 209.293 0.898 20 0 BCADLP CCC[C@H](C[NH2+]C[C@H]1C[N@H+](C)CCN1C)OC ZINC000386177548 398198621 /nfs/dbraw/zinc/19/86/21/398198621.db2.gz XOKPZBJTQFVWPW-QWHCGFSZSA-N 2 2 243.395 0.637 20 0 BCADLP CCC[C@H](C[NH2+]C[C@H]1C[N@@H+](C)CCN1C)OC ZINC000386177548 398198625 /nfs/dbraw/zinc/19/86/25/398198625.db2.gz XOKPZBJTQFVWPW-QWHCGFSZSA-N 2 2 243.395 0.637 20 0 BCADLP Cn1cncc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000576263245 365542934 /nfs/dbraw/zinc/54/29/34/365542934.db2.gz YPUAHHWJQAQWPI-SECBINFHSA-N 2 2 231.303 0.790 20 0 BCADLP CC(C)[C@H](CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000092393752 398205024 /nfs/dbraw/zinc/20/50/24/398205024.db2.gz OJDCFLOOLAHAPB-NSHDSACASA-N 2 2 240.351 0.593 20 0 BCADLP Cc1cc(NC(=O)C[C@@H]2C[NH2+]CCO2)cc[nH+]1 ZINC000092349845 178133856 /nfs/dbraw/zinc/13/38/56/178133856.db2.gz YDXLTLWIFNRYNF-LLVKDONJSA-N 2 2 235.287 0.707 20 0 BCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1CCn1cc[nH+]c1 ZINC000334453028 398208068 /nfs/dbraw/zinc/20/80/68/398208068.db2.gz ZVJXUHMWMGFFQH-RYUDHWBXSA-N 2 2 222.336 0.908 20 0 BCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1CCn1cc[nH+]c1 ZINC000334453028 398208069 /nfs/dbraw/zinc/20/80/69/398208069.db2.gz ZVJXUHMWMGFFQH-RYUDHWBXSA-N 2 2 222.336 0.908 20 0 BCADLP Cc1ccc2[nH+]c(CNC(=O)[C@@H](C)C[NH3+])cn2c1 ZINC000262354128 398215192 /nfs/dbraw/zinc/21/51/92/398215192.db2.gz JKWOWGQKMVNBEZ-JTQLQIEISA-N 2 2 246.314 0.854 20 0 BCADLP CCOc1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])nc1 ZINC000649419788 398218274 /nfs/dbraw/zinc/21/82/74/398218274.db2.gz JFOJIMDZVBNFKW-NSHDSACASA-N 2 2 239.319 0.232 20 0 BCADLP CCOc1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])nc1 ZINC000649419788 398218277 /nfs/dbraw/zinc/21/82/77/398218277.db2.gz JFOJIMDZVBNFKW-NSHDSACASA-N 2 2 239.319 0.232 20 0 BCADLP CC(C)[C@H](O)CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336767433 136221422 /nfs/dbraw/zinc/22/14/22/136221422.db2.gz TVEREWDQLZKYPJ-QJPTWQEYSA-N 2 2 214.353 0.933 20 0 BCADLP CC(C)[C@H](O)CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336767433 136221423 /nfs/dbraw/zinc/22/14/23/136221423.db2.gz TVEREWDQLZKYPJ-QJPTWQEYSA-N 2 2 214.353 0.933 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H](CO)CC(F)F ZINC000336767385 136221426 /nfs/dbraw/zinc/22/14/26/136221426.db2.gz SZZYSILKFKMHIZ-HRDYMLBCSA-N 2 2 222.279 0.542 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H](CO)CC(F)F ZINC000336767385 136221427 /nfs/dbraw/zinc/22/14/27/136221427.db2.gz SZZYSILKFKMHIZ-HRDYMLBCSA-N 2 2 222.279 0.542 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000639017079 398222568 /nfs/dbraw/zinc/22/25/68/398222568.db2.gz RFOBMECXFKLWGK-UWVGGRQHSA-N 2 2 236.319 0.756 20 0 BCADLP C[NH+](C)C(C)(C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000276668164 538933220 /nfs/dbraw/zinc/93/32/20/538933220.db2.gz UOPPNXYUFFWUJZ-UHFFFAOYSA-N 2 2 238.335 0.799 20 0 BCADLP C[NH+](C)C(C)(C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000276668164 538933222 /nfs/dbraw/zinc/93/32/22/538933222.db2.gz UOPPNXYUFFWUJZ-UHFFFAOYSA-N 2 2 238.335 0.799 20 0 BCADLP C[C@]1(C[NH2+]Cc2nnc3ccccn32)CC[NH2+]C1 ZINC000576636451 365644949 /nfs/dbraw/zinc/64/49/49/365644949.db2.gz FZDJUCHSBDSLNU-ZDUSSCGKSA-N 2 2 245.330 0.819 20 0 BCADLP CC[NH+](CC)CC(=O)NCc1c[nH+]cn1C ZINC000291199835 538947659 /nfs/dbraw/zinc/94/76/59/538947659.db2.gz LELWKSZZCIUJCW-UHFFFAOYSA-N 2 2 224.308 0.378 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000576714049 365667679 /nfs/dbraw/zinc/66/76/79/365667679.db2.gz KFAMTJUAJXJLIZ-RNJOBUHISA-N 2 2 244.379 0.797 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000576714049 365667684 /nfs/dbraw/zinc/66/76/84/365667684.db2.gz KFAMTJUAJXJLIZ-RNJOBUHISA-N 2 2 244.379 0.797 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000576714049 365667687 /nfs/dbraw/zinc/66/76/87/365667687.db2.gz KFAMTJUAJXJLIZ-RNJOBUHISA-N 2 2 244.379 0.797 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000576714049 365667691 /nfs/dbraw/zinc/66/76/91/365667691.db2.gz KFAMTJUAJXJLIZ-RNJOBUHISA-N 2 2 244.379 0.797 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000291169617 538947197 /nfs/dbraw/zinc/94/71/97/538947197.db2.gz ITXPVDLFIGUNFF-SNVBAGLBSA-N 2 2 222.292 0.131 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000291169617 538947198 /nfs/dbraw/zinc/94/71/98/538947198.db2.gz ITXPVDLFIGUNFF-SNVBAGLBSA-N 2 2 222.292 0.131 20 0 BCADLP COCC[C@H](COC)[NH2+]Cc1c[nH+]c(C)n1C ZINC000576768454 365681986 /nfs/dbraw/zinc/68/19/86/365681986.db2.gz TVODJGHXOWXBSH-LLVKDONJSA-N 2 2 241.335 0.870 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1O ZINC000378775060 346831952 /nfs/dbraw/zinc/83/19/52/346831952.db2.gz HHMJVPQJMCPFQY-BJDJZHNGSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1O ZINC000378775060 346831953 /nfs/dbraw/zinc/83/19/53/346831953.db2.gz HHMJVPQJMCPFQY-BJDJZHNGSA-N 2 2 212.337 0.830 20 0 BCADLP CC(C)[C@@H](C(=O)NCc1[nH]cc[nH+]1)[C@H](C)[NH3+] ZINC000399569908 342738634 /nfs/dbraw/zinc/73/86/34/342738634.db2.gz JWDRJMBIPVGJGR-WCBMZHEXSA-N 2 2 224.308 0.645 20 0 BCADLP Nc1[nH+]cnc(N2CCC(C[NH3+])CC2)c1Cl ZINC000583984755 342821894 /nfs/dbraw/zinc/82/18/94/342821894.db2.gz NHWYYCNBJZVMJT-UHFFFAOYSA-N 2 2 241.726 0.887 20 0 BCADLP Nc1nc[nH+]c(N2CCC(C[NH3+])CC2)c1Cl ZINC000583984755 342821895 /nfs/dbraw/zinc/82/18/95/342821895.db2.gz NHWYYCNBJZVMJT-UHFFFAOYSA-N 2 2 241.726 0.887 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000167329969 136245464 /nfs/dbraw/zinc/24/54/64/136245464.db2.gz GJROZNCNXIBHMY-RKDXNWHRSA-N 2 2 201.314 0.051 20 0 BCADLP C[N@@H+](Cc1ccsc1)C[C@@H](O)C[NH3+] ZINC000035719169 342892101 /nfs/dbraw/zinc/89/21/01/342892101.db2.gz FLUYUEANSIFGHK-VIFPVBQESA-N 2 2 200.307 0.500 20 0 BCADLP C[N@H+](Cc1ccsc1)C[C@@H](O)C[NH3+] ZINC000035719169 342892102 /nfs/dbraw/zinc/89/21/02/342892102.db2.gz FLUYUEANSIFGHK-VIFPVBQESA-N 2 2 200.307 0.500 20 0 BCADLP CSC[C@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000300769031 259327842 /nfs/dbraw/zinc/32/78/42/259327842.db2.gz XWPSZPZJHPQHRE-VHSXEESVSA-N 2 2 245.392 0.087 20 0 BCADLP CSC[C@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000300769031 259327844 /nfs/dbraw/zinc/32/78/44/259327844.db2.gz XWPSZPZJHPQHRE-VHSXEESVSA-N 2 2 245.392 0.087 20 0 BCADLP CSC[C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000300769029 259327867 /nfs/dbraw/zinc/32/78/67/259327867.db2.gz XWPSZPZJHPQHRE-UWVGGRQHSA-N 2 2 245.392 0.087 20 0 BCADLP CSC[C@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000300769029 259327869 /nfs/dbraw/zinc/32/78/69/259327869.db2.gz XWPSZPZJHPQHRE-UWVGGRQHSA-N 2 2 245.392 0.087 20 0 BCADLP Cc1n[nH]cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000036901743 342913123 /nfs/dbraw/zinc/91/31/23/342913123.db2.gz RAUIKSMMXNBMLR-UHFFFAOYSA-N 2 2 208.309 0.902 20 0 BCADLP Cn1ccnc1C[NH2+]C1CC[NH+](C)CC1 ZINC000037250020 342925374 /nfs/dbraw/zinc/92/53/74/342925374.db2.gz ZMNHDYCDVWZCCN-UHFFFAOYSA-N 2 2 208.309 0.604 20 0 BCADLP c1cn(CC[N@@H+]2CCCC3(C2)OCCO3)c[nH+]1 ZINC000134085313 398328614 /nfs/dbraw/zinc/32/86/14/398328614.db2.gz ZZJCBMZPCQQWRR-UHFFFAOYSA-N 2 2 237.303 0.722 20 0 BCADLP c1cn(CC[N@H+]2CCCC3(C2)OCCO3)c[nH+]1 ZINC000134085313 398328615 /nfs/dbraw/zinc/32/86/15/398328615.db2.gz ZZJCBMZPCQQWRR-UHFFFAOYSA-N 2 2 237.303 0.722 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC=C(C)C1 ZINC000583389877 398336781 /nfs/dbraw/zinc/33/67/81/398336781.db2.gz ZFLWRFNKVZQDHO-GFCCVEGCSA-N 2 2 212.337 0.951 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC=C(C)C1 ZINC000583389877 398336782 /nfs/dbraw/zinc/33/67/82/398336782.db2.gz ZFLWRFNKVZQDHO-GFCCVEGCSA-N 2 2 212.337 0.951 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC=C(C)C1 ZINC000583389877 398336783 /nfs/dbraw/zinc/33/67/83/398336783.db2.gz ZFLWRFNKVZQDHO-GFCCVEGCSA-N 2 2 212.337 0.951 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC=C(C)C1 ZINC000583389877 398336784 /nfs/dbraw/zinc/33/67/84/398336784.db2.gz ZFLWRFNKVZQDHO-GFCCVEGCSA-N 2 2 212.337 0.951 20 0 BCADLP Cc1csc(C[N@H+](C)CCOCC[NH3+])n1 ZINC000387559968 398337142 /nfs/dbraw/zinc/33/71/42/398337142.db2.gz SWYRBOSNCXPLRU-UHFFFAOYSA-N 2 2 229.349 0.859 20 0 BCADLP Cc1csc(C[N@@H+](C)CCOCC[NH3+])n1 ZINC000387559968 398337143 /nfs/dbraw/zinc/33/71/43/398337143.db2.gz SWYRBOSNCXPLRU-UHFFFAOYSA-N 2 2 229.349 0.859 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(O)c2)CCCO1 ZINC000313341788 259333755 /nfs/dbraw/zinc/33/37/55/259333755.db2.gz BBRGBWLONFOKSN-CYBMUJFWSA-N 2 2 236.315 0.942 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(O)c2)CCCO1 ZINC000313341788 259333757 /nfs/dbraw/zinc/33/37/57/259333757.db2.gz BBRGBWLONFOKSN-CYBMUJFWSA-N 2 2 236.315 0.942 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](C)[C@H]2CO)n1C ZINC000668035356 488192534 /nfs/dbraw/zinc/19/25/34/488192534.db2.gz JUHXCXBKRYRSNW-JOYOIKCWSA-N 2 2 223.320 0.931 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](C)[C@H]2CO)n1C ZINC000668035356 488192536 /nfs/dbraw/zinc/19/25/36/488192536.db2.gz JUHXCXBKRYRSNW-JOYOIKCWSA-N 2 2 223.320 0.931 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000493425579 529558140 /nfs/dbraw/zinc/55/81/40/529558140.db2.gz DKDBWRVJACXJPX-WYGGZMRJSA-N 2 2 248.330 0.737 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)NCC[C@@H](C)[NH3+] ZINC000493186992 529559660 /nfs/dbraw/zinc/55/96/60/529559660.db2.gz LJVQYBDLYHYQNQ-UMCURTJPSA-N 2 2 236.319 0.770 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000493086548 529559762 /nfs/dbraw/zinc/55/97/62/529559762.db2.gz QYSOIPHHKSPBJB-ISALQUGTSA-N 2 2 248.330 0.770 20 0 BCADLP CCOC(=O)C[N@H+](C)CCc1c[nH+]cn1C ZINC000602769596 349725227 /nfs/dbraw/zinc/72/52/27/349725227.db2.gz GYBBIVPXUMDPSF-UHFFFAOYSA-N 2 2 225.292 0.458 20 0 BCADLP CCOC(=O)C[N@@H+](C)CCc1c[nH+]cn1C ZINC000602769596 349725230 /nfs/dbraw/zinc/72/52/30/349725230.db2.gz GYBBIVPXUMDPSF-UHFFFAOYSA-N 2 2 225.292 0.458 20 0 BCADLP CO[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000299901831 488193847 /nfs/dbraw/zinc/19/38/47/488193847.db2.gz BWJYYGZYJYYZQT-WDEREUQCSA-N 2 2 214.309 0.086 20 0 BCADLP CO[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000299901831 488193849 /nfs/dbraw/zinc/19/38/49/488193849.db2.gz BWJYYGZYJYYZQT-WDEREUQCSA-N 2 2 214.309 0.086 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2C[C@H](O)C[C@H]2C)n1C ZINC000668045638 488194530 /nfs/dbraw/zinc/19/45/30/488194530.db2.gz WOTKIMNKSSSAMT-LDYMZIIASA-N 2 2 209.293 0.684 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](O)C[C@H]2C)n1C ZINC000668045638 488194534 /nfs/dbraw/zinc/19/45/34/488194534.db2.gz WOTKIMNKSSSAMT-LDYMZIIASA-N 2 2 209.293 0.684 20 0 BCADLP CCN(C#N)CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000602782780 349748084 /nfs/dbraw/zinc/74/80/84/349748084.db2.gz AHCBSHLXBWFSPE-GFCCVEGCSA-N 2 2 224.352 0.673 20 0 BCADLP CCN(C#N)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000602782780 349748086 /nfs/dbraw/zinc/74/80/86/349748086.db2.gz AHCBSHLXBWFSPE-GFCCVEGCSA-N 2 2 224.352 0.673 20 0 BCADLP c1nc(N2CCC[NH2+]CC2)cc(N2CCCC2)[nH+]1 ZINC000045948101 343013126 /nfs/dbraw/zinc/01/31/26/343013126.db2.gz MZVPCQQLRMRWQE-UHFFFAOYSA-N 2 2 247.346 0.877 20 0 BCADLP O=c1c2c([nH]n1CCCn1cc[nH+]c1)CC[NH2+]C2 ZINC000634633727 343046801 /nfs/dbraw/zinc/04/68/01/343046801.db2.gz DTRQAWUXUWSRMX-JTQLQIEISA-N 2 2 247.302 0.081 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCCCO1 ZINC000380063247 343060501 /nfs/dbraw/zinc/06/05/01/343060501.db2.gz OXCZUGFDKYZLAJ-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCCCO1 ZINC000380063247 343060502 /nfs/dbraw/zinc/06/05/02/343060502.db2.gz OXCZUGFDKYZLAJ-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H]1CCCCO1 ZINC000380063247 343060503 /nfs/dbraw/zinc/06/05/03/343060503.db2.gz OXCZUGFDKYZLAJ-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H]1CCCCO1 ZINC000380063247 343060504 /nfs/dbraw/zinc/06/05/04/343060504.db2.gz OXCZUGFDKYZLAJ-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+]1CCC([NH2+]Cc2cc[nH]n2)CC1 ZINC000038098100 343063189 /nfs/dbraw/zinc/06/31/89/343063189.db2.gz QXZYXGRWWLTRRF-UHFFFAOYSA-N 2 2 208.309 0.984 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCOC[C@@H](O)C1 ZINC000399889960 343095608 /nfs/dbraw/zinc/09/56/08/343095608.db2.gz IWZUOCUKCAXNKR-LBPRGKRZSA-N 2 2 239.319 0.046 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CCOC[C@@H](O)C1 ZINC000399889960 343095610 /nfs/dbraw/zinc/09/56/10/343095610.db2.gz IWZUOCUKCAXNKR-LBPRGKRZSA-N 2 2 239.319 0.046 20 0 BCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000092951095 343149045 /nfs/dbraw/zinc/14/90/45/343149045.db2.gz VEPHQEBYCFZSKV-GHMZBOCLSA-N 2 2 236.319 0.387 20 0 BCADLP C[NH2+]CCCC(=O)Nc1ccc(N)[nH+]c1 ZINC000237224474 343131626 /nfs/dbraw/zinc/13/16/26/343131626.db2.gz MMTOBKKOHRBEGW-UHFFFAOYSA-N 2 2 208.265 0.602 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@@H](C)C[NH+](C)C ZINC000130766824 343182320 /nfs/dbraw/zinc/18/23/20/343182320.db2.gz ZDYGNNKAMQFASD-ZETCQYMHSA-N 2 2 225.296 0.429 20 0 BCADLP COc1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000122443307 343159629 /nfs/dbraw/zinc/15/96/29/343159629.db2.gz GIQJPCVNNFYQPU-CYBMUJFWSA-N 2 2 249.358 0.770 20 0 BCADLP COc1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000122443307 343159632 /nfs/dbraw/zinc/15/96/32/343159632.db2.gz GIQJPCVNNFYQPU-CYBMUJFWSA-N 2 2 249.358 0.770 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000133608291 343185369 /nfs/dbraw/zinc/18/53/69/343185369.db2.gz RNIBRKNROLGCML-UWVGGRQHSA-N 2 2 213.325 0.323 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000133608291 343185370 /nfs/dbraw/zinc/18/53/70/343185370.db2.gz RNIBRKNROLGCML-UWVGGRQHSA-N 2 2 213.325 0.323 20 0 BCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000125152283 343165757 /nfs/dbraw/zinc/16/57/57/343165757.db2.gz YHHWPMHZTHPMNI-RKDXNWHRSA-N 2 2 222.292 0.066 20 0 BCADLP C[C@H]1C[N@H+](Cc2ccn(C)n2)CC[C@@H]1[NH3+] ZINC000123995427 343166439 /nfs/dbraw/zinc/16/64/39/343166439.db2.gz FDSRKQXIDPMKRB-ONGXEEELSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@@H]1[NH3+] ZINC000123995427 343166440 /nfs/dbraw/zinc/16/64/40/343166440.db2.gz FDSRKQXIDPMKRB-ONGXEEELSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@@H]1CC[N@H+](Cc2ncnn2C)C[C@@H]1C[NH3+] ZINC000167667945 343209568 /nfs/dbraw/zinc/20/95/68/343209568.db2.gz IAUGGENEKOUDLS-ZJUUUORDSA-N 2 2 223.324 0.232 20 0 BCADLP C[C@@H]1CC[N@@H+](Cc2ncnn2C)C[C@@H]1C[NH3+] ZINC000167667945 343209570 /nfs/dbraw/zinc/20/95/70/343209570.db2.gz IAUGGENEKOUDLS-ZJUUUORDSA-N 2 2 223.324 0.232 20 0 BCADLP COc1c(N)[nH+]cnc1NCC(C)(C)[NH+](C)C ZINC000134863869 343192018 /nfs/dbraw/zinc/19/20/18/343192018.db2.gz KYAWXRILPUHWLP-UHFFFAOYSA-N 2 2 239.323 0.820 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)[C@H]1CCCCNC1=O ZINC000161553416 136277358 /nfs/dbraw/zinc/27/73/58/136277358.db2.gz BRSKDNIJFAMKEV-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)[C@H]1CCCCNC1=O ZINC000161553416 136277359 /nfs/dbraw/zinc/27/73/59/136277359.db2.gz BRSKDNIJFAMKEV-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP c1[nH]cc(Cn2cc(C[NH+]3CCCC3)nn2)[nH+]1 ZINC000641035621 362147480 /nfs/dbraw/zinc/14/74/80/362147480.db2.gz RKCDVNLFSKVRLA-UHFFFAOYSA-N 2 2 232.291 0.645 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000348750791 136296830 /nfs/dbraw/zinc/29/68/30/136296830.db2.gz PTOJJDSSTAGJJQ-BETUJISGSA-N 3 2 234.347 0.733 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000348750791 136296831 /nfs/dbraw/zinc/29/68/31/136296831.db2.gz PTOJJDSSTAGJJQ-BETUJISGSA-N 3 2 234.347 0.733 20 0 BCADLP Cc1nn(C)cc1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000335635314 136300544 /nfs/dbraw/zinc/30/05/44/136300544.db2.gz KBAQAPJCOWKZBK-BXKDBHETSA-N 2 2 222.336 0.816 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccnn1C ZINC000037158286 343337327 /nfs/dbraw/zinc/33/73/27/343337327.db2.gz OOEHZSUEKGOZBW-SNVBAGLBSA-N 2 2 219.292 0.795 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CC[NH+](C)CC1 ZINC000037157184 343337351 /nfs/dbraw/zinc/33/73/51/343337351.db2.gz HLQDKCLBQXUXNU-NSHDSACASA-N 3 2 222.336 0.955 20 0 BCADLP C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000584087205 343378139 /nfs/dbraw/zinc/37/81/39/343378139.db2.gz RAXWAFUZPUYPNQ-GHMZBOCLSA-N 2 2 236.319 0.482 20 0 BCADLP C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC000584087205 343378141 /nfs/dbraw/zinc/37/81/41/343378141.db2.gz RAXWAFUZPUYPNQ-GHMZBOCLSA-N 2 2 236.319 0.482 20 0 BCADLP CCOC(=O)[C@H]1CCCC[N@@H+]1CCC[NH3+] ZINC000034623190 136319594 /nfs/dbraw/zinc/31/95/94/136319594.db2.gz YTFYFWODGCAORH-SNVBAGLBSA-N 2 2 214.309 0.753 20 0 BCADLP CCOC(=O)[C@H]1CCCC[N@H+]1CCC[NH3+] ZINC000034623190 136319595 /nfs/dbraw/zinc/31/95/95/136319595.db2.gz YTFYFWODGCAORH-SNVBAGLBSA-N 2 2 214.309 0.753 20 0 BCADLP CC(C)[N@H+](C)CCNCc1c[nH+]cn1C ZINC000082394944 343440578 /nfs/dbraw/zinc/44/05/78/343440578.db2.gz QHBAWDFLGJAKEM-UHFFFAOYSA-N 2 2 210.325 0.850 20 0 BCADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N2CCC2)CC[N@@H+]1C ZINC000335736011 136350311 /nfs/dbraw/zinc/35/03/11/136350311.db2.gz JHVCISOLLYMDSB-NEPJUHHUSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N2CCC2)CC[N@H+]1C ZINC000335736011 136350312 /nfs/dbraw/zinc/35/03/12/136350312.db2.gz JHVCISOLLYMDSB-NEPJUHHUSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CCC2)CC[NH+]1C ZINC000335736011 136350313 /nfs/dbraw/zinc/35/03/13/136350313.db2.gz JHVCISOLLYMDSB-NEPJUHHUSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCC2)CC[NH+]1C ZINC000335736011 136350314 /nfs/dbraw/zinc/35/03/14/136350314.db2.gz JHVCISOLLYMDSB-NEPJUHHUSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@H]1CC[N@H+](C)CCN1Cc1c[nH+]cn1C ZINC000335706087 136335660 /nfs/dbraw/zinc/33/56/60/136335660.db2.gz IOZCEOHPXPIECY-NSHDSACASA-N 2 2 222.336 0.946 20 0 BCADLP C[C@H]1CC[N@@H+](C)CCN1Cc1c[nH+]cn1C ZINC000335706087 136335661 /nfs/dbraw/zinc/33/56/61/136335661.db2.gz IOZCEOHPXPIECY-NSHDSACASA-N 2 2 222.336 0.946 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000576983529 365743123 /nfs/dbraw/zinc/74/31/23/365743123.db2.gz UULUUUWYXIPTET-WDEREUQCSA-N 2 2 248.330 0.608 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H]1C ZINC000310403951 343484295 /nfs/dbraw/zinc/48/42/95/343484295.db2.gz NSZZIXOXXMHXHC-UPJWGTAASA-N 2 2 244.379 0.656 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H]1C ZINC000310403951 343484297 /nfs/dbraw/zinc/48/42/97/343484297.db2.gz NSZZIXOXXMHXHC-UPJWGTAASA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000310403951 343484298 /nfs/dbraw/zinc/48/42/98/343484298.db2.gz NSZZIXOXXMHXHC-UPJWGTAASA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@H]1C ZINC000310403951 343484300 /nfs/dbraw/zinc/48/43/00/343484300.db2.gz NSZZIXOXXMHXHC-UPJWGTAASA-N 2 2 244.379 0.656 20 0 BCADLP [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCc1[nH]cc[nH+]1 ZINC000310412513 343484405 /nfs/dbraw/zinc/48/44/05/343484405.db2.gz MNWKOYQOXARDEA-ZJUUUORDSA-N 2 2 236.319 0.934 20 0 BCADLP CCCNC(=O)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000577006192 365754681 /nfs/dbraw/zinc/75/46/81/365754681.db2.gz NWHKYFCVVANIIV-UHFFFAOYSA-N 2 2 224.308 0.344 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C[C@@H]1C ZINC000310549313 343530218 /nfs/dbraw/zinc/53/02/18/343530218.db2.gz UAPOAFLPYVXWJO-AVGNSLFASA-N 2 2 244.379 0.656 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C[C@@H]1C ZINC000310549313 343530219 /nfs/dbraw/zinc/53/02/19/343530219.db2.gz UAPOAFLPYVXWJO-AVGNSLFASA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000310549313 343530220 /nfs/dbraw/zinc/53/02/20/343530220.db2.gz UAPOAFLPYVXWJO-AVGNSLFASA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)C[C@@H]1C ZINC000310549313 343530222 /nfs/dbraw/zinc/53/02/22/343530222.db2.gz UAPOAFLPYVXWJO-AVGNSLFASA-N 2 2 244.379 0.656 20 0 BCADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnnn1C ZINC000577026126 365773891 /nfs/dbraw/zinc/77/38/91/365773891.db2.gz ITJZORMDUZQACS-JQWIXIFHSA-N 2 2 237.351 0.587 20 0 BCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnnn1C ZINC000577026126 365773895 /nfs/dbraw/zinc/77/38/95/365773895.db2.gz ITJZORMDUZQACS-JQWIXIFHSA-N 2 2 237.351 0.587 20 0 BCADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnnn1C ZINC000577026126 365773898 /nfs/dbraw/zinc/77/38/98/365773898.db2.gz ITJZORMDUZQACS-JQWIXIFHSA-N 2 2 237.351 0.587 20 0 BCADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnnn1C ZINC000577026126 365773901 /nfs/dbraw/zinc/77/39/01/365773901.db2.gz ITJZORMDUZQACS-JQWIXIFHSA-N 2 2 237.351 0.587 20 0 BCADLP Cc1nc(N2C[C@H]3C[NH2+]C[C@H]3C2)cc[nH+]1 ZINC000085283640 343590233 /nfs/dbraw/zinc/59/02/33/343590233.db2.gz JTELSVJAXBNTAB-AOOOYVTPSA-N 2 2 204.277 0.441 20 0 BCADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC000071138658 343620900 /nfs/dbraw/zinc/62/09/00/343620900.db2.gz YURDFLLIAPYPFE-ZDUSSCGKSA-N 2 2 247.342 0.969 20 0 BCADLP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC000071138658 343620903 /nfs/dbraw/zinc/62/09/03/343620903.db2.gz YURDFLLIAPYPFE-ZDUSSCGKSA-N 2 2 247.342 0.969 20 0 BCADLP c1n[nH]cc1CC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434891 343735792 /nfs/dbraw/zinc/73/57/92/343735792.db2.gz KKQLEZRSDRIJFR-UHFFFAOYSA-N 2 2 217.276 0.734 20 0 BCADLP c1n[nH]cc1CC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434891 343735793 /nfs/dbraw/zinc/73/57/93/343735793.db2.gz KKQLEZRSDRIJFR-UHFFFAOYSA-N 2 2 217.276 0.734 20 0 BCADLP C[C@H](CC1CC1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624335543 343717864 /nfs/dbraw/zinc/71/78/64/343717864.db2.gz UYUAQOSGISYCEJ-PWSUYJOCSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@H](CC1CC1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624335543 343717865 /nfs/dbraw/zinc/71/78/65/343717865.db2.gz UYUAQOSGISYCEJ-PWSUYJOCSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCN2CC[C@H](O)C2)CC[N@@H+]1C ZINC000624335555 343717946 /nfs/dbraw/zinc/71/79/46/343717946.db2.gz VDJHLJIOBJBOQB-UPJWGTAASA-N 2 2 241.379 0.125 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCN2CC[C@H](O)C2)CC[N@H+]1C ZINC000624335555 343717947 /nfs/dbraw/zinc/71/79/47/343717947.db2.gz VDJHLJIOBJBOQB-UPJWGTAASA-N 2 2 241.379 0.125 20 0 BCADLP COCCC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624335582 343717970 /nfs/dbraw/zinc/71/79/70/343717970.db2.gz VXAHTGSBHLIZCQ-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP COCCC[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624335582 343717971 /nfs/dbraw/zinc/71/79/71/343717971.db2.gz VXAHTGSBHLIZCQ-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP C[C@@H](C[NH2+]CCC(N)=O)[NH+]1CCC(C)CC1 ZINC000584168288 343768291 /nfs/dbraw/zinc/76/82/91/343768291.db2.gz ZWYKUFAQKNLDOQ-NSHDSACASA-N 2 2 227.352 0.572 20 0 BCADLP C[C@H](C[NH2+]CCC(N)=O)[NH+]1CCC(C)CC1 ZINC000584168287 343768442 /nfs/dbraw/zinc/76/84/42/343768442.db2.gz ZWYKUFAQKNLDOQ-LLVKDONJSA-N 2 2 227.352 0.572 20 0 BCADLP C[C@H]1C[C@@H](C(=O)Nc2cc[nH+]cc2O)CC[NH2+]1 ZINC000577060891 365797706 /nfs/dbraw/zinc/79/77/06/365797706.db2.gz SDFGTTHOOMUTNQ-IUCAKERBSA-N 2 2 235.287 0.536 20 0 BCADLP COC(=O)[C@H]1CC12CC[NH+](C[C@@H](C)[NH3+])CC2 ZINC000584113771 343759546 /nfs/dbraw/zinc/75/95/46/343759546.db2.gz HDQNPZQYTQMAIO-NXEZZACHSA-N 2 2 226.320 0.609 20 0 BCADLP COC[C@H]1C[N@H+](CCn2cc[nH+]c2)CCO1 ZINC000179250677 346978416 /nfs/dbraw/zinc/97/84/16/346978416.db2.gz IRVBXJSIGRRJJP-LLVKDONJSA-N 2 2 225.292 0.230 20 0 BCADLP COC[C@H]1C[N@@H+](CCn2cc[nH+]c2)CCO1 ZINC000179250677 346978419 /nfs/dbraw/zinc/97/84/19/346978419.db2.gz IRVBXJSIGRRJJP-LLVKDONJSA-N 2 2 225.292 0.230 20 0 BCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493125045 529949258 /nfs/dbraw/zinc/94/92/58/529949258.db2.gz XDAKHYCMKRSPMB-GZTOBOFZSA-N 2 2 248.330 0.976 20 0 BCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493125045 529949259 /nfs/dbraw/zinc/94/92/59/529949259.db2.gz XDAKHYCMKRSPMB-GZTOBOFZSA-N 2 2 248.330 0.976 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH2+]CCC(F)(F)F)C1CC1 ZINC000381058852 343918135 /nfs/dbraw/zinc/91/81/35/343918135.db2.gz KHTUHJUBYXELBM-VIFPVBQESA-N 2 2 240.269 0.984 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCC(F)(F)F)C1CC1 ZINC000381058852 343918137 /nfs/dbraw/zinc/91/81/37/343918137.db2.gz KHTUHJUBYXELBM-VIFPVBQESA-N 2 2 240.269 0.984 20 0 BCADLP C[C@H](O)CC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625544573 343931530 /nfs/dbraw/zinc/93/15/30/343931530.db2.gz VKCRBOVBSDIJNL-LBPRGKRZSA-N 2 2 242.363 0.554 20 0 BCADLP Cc1cc(NC[C@@H]2COCC[N@H+]2C)cc[nH+]1 ZINC000624620475 344107569 /nfs/dbraw/zinc/10/75/69/344107569.db2.gz DUYBVRNVMYQWHS-GFCCVEGCSA-N 2 2 221.304 0.554 20 0 BCADLP Cc1cc(NC[C@@H]2COCC[N@@H+]2C)cc[nH+]1 ZINC000624620475 344107573 /nfs/dbraw/zinc/10/75/73/344107573.db2.gz DUYBVRNVMYQWHS-GFCCVEGCSA-N 2 2 221.304 0.554 20 0 BCADLP C[N@H+](CCO)C1CCN(c2cccc[nH+]2)CC1 ZINC000079441011 344112510 /nfs/dbraw/zinc/11/25/10/344112510.db2.gz BKYSKOLPIGJMPO-UHFFFAOYSA-N 2 2 235.331 0.975 20 0 BCADLP C[N@@H+](CCO)C1CCN(c2cccc[nH+]2)CC1 ZINC000079441011 344112512 /nfs/dbraw/zinc/11/25/12/344112512.db2.gz BKYSKOLPIGJMPO-UHFFFAOYSA-N 2 2 235.331 0.975 20 0 BCADLP CC[C@@H]([NH3+])C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000130495976 344142996 /nfs/dbraw/zinc/14/29/96/344142996.db2.gz YNRGDVCLCXMABJ-LLVKDONJSA-N 2 2 246.314 0.996 20 0 BCADLP O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1CC[NH2+]C1 ZINC000625862867 344154780 /nfs/dbraw/zinc/15/47/80/344154780.db2.gz UXWXEPLEMFUGTP-SECBINFHSA-N 2 2 245.286 0.818 20 0 BCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493125047 529966132 /nfs/dbraw/zinc/96/61/32/529966132.db2.gz XDAKHYCMKRSPMB-MVIFTORASA-N 2 2 248.330 0.976 20 0 BCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493125047 529966133 /nfs/dbraw/zinc/96/61/33/529966133.db2.gz XDAKHYCMKRSPMB-MVIFTORASA-N 2 2 248.330 0.976 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCc1ccnn1C ZINC000385181558 344367056 /nfs/dbraw/zinc/36/70/56/344367056.db2.gz IYTAFNDFMBSZKM-VHSXEESVSA-N 2 2 208.309 0.384 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCc1ccnn1C ZINC000385181558 344367059 /nfs/dbraw/zinc/36/70/59/344367059.db2.gz IYTAFNDFMBSZKM-VHSXEESVSA-N 2 2 208.309 0.384 20 0 BCADLP COC(=O)c1cc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)c[nH]1 ZINC000600683718 344358517 /nfs/dbraw/zinc/35/85/17/344358517.db2.gz XVNQUEBUJBWXQV-WCBMZHEXSA-N 2 2 237.303 0.641 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]1COC ZINC000570812620 323071224 /nfs/dbraw/zinc/07/12/24/323071224.db2.gz FKHRBDSDJHRTOK-MNOVXSKESA-N 2 2 216.325 0.020 20 0 BCADLP C[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093178711 344310306 /nfs/dbraw/zinc/31/03/06/344310306.db2.gz LBMSABPWOQZGLO-NWDGAFQWSA-N 2 2 239.363 0.491 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)Nc1cc(-n2cc[nH+]c2)ncn1 ZINC000634810025 344394919 /nfs/dbraw/zinc/39/49/19/344394919.db2.gz JHDLCTWCHUNDSS-RKDXNWHRSA-N 2 2 232.291 0.810 20 0 BCADLP C[C@H]([NH3+])[C@H](C)Nc1nc[nH+]c2c1OCCN2 ZINC000634810074 344395002 /nfs/dbraw/zinc/39/50/02/344395002.db2.gz LMIUJKCIVSKWEO-BQBZGAKWSA-N 2 2 223.280 0.429 20 0 BCADLP COc1c(C)[nH+]cnc1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000634810434 344395331 /nfs/dbraw/zinc/39/53/31/344395331.db2.gz XOXCCRVTHFTXHH-BRPSZJMVSA-N 2 2 220.276 0.423 20 0 BCADLP C[C@@H]([NH3+])CNc1cc(-n2cc[nH+]c2)ncn1 ZINC000634809485 344395399 /nfs/dbraw/zinc/39/53/99/344395399.db2.gz SRKZKEKGNSGLKJ-MRVPVSSYSA-N 2 2 218.264 0.421 20 0 BCADLP c1nc(N2CCCC2)cc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[nH+]1 ZINC000634810464 344395463 /nfs/dbraw/zinc/39/54/63/344395463.db2.gz XYUCRCHIOWFXDV-IWIIMEHWSA-N 2 2 245.330 0.707 20 0 BCADLP c1nc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc(N2CCCC2)[nH+]1 ZINC000634810464 344395464 /nfs/dbraw/zinc/39/54/64/344395464.db2.gz XYUCRCHIOWFXDV-IWIIMEHWSA-N 2 2 245.330 0.707 20 0 BCADLP CCC[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000041051041 344416454 /nfs/dbraw/zinc/41/64/54/344416454.db2.gz VKQFJNVWSAAQAB-VIFPVBQESA-N 2 2 210.281 0.127 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043326968 344488657 /nfs/dbraw/zinc/48/86/57/344488657.db2.gz RIEYPQRWNYHUOH-GHMZBOCLSA-N 2 2 208.309 0.613 20 0 BCADLP CCC[C@](C)([NH3+])C(=O)N(C)Cc1[nH+]ccn1C ZINC000037823030 344592970 /nfs/dbraw/zinc/59/29/70/344592970.db2.gz LLMQKWDXDYDGLD-LBPRGKRZSA-N 2 2 238.335 0.896 20 0 BCADLP CCCCOCC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000049261726 344601320 /nfs/dbraw/zinc/60/13/20/344601320.db2.gz LOBWBOKUVUXIIA-NSHDSACASA-N 2 2 216.325 0.463 20 0 BCADLP CCCCOCC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000049261726 344601322 /nfs/dbraw/zinc/60/13/22/344601322.db2.gz LOBWBOKUVUXIIA-NSHDSACASA-N 2 2 216.325 0.463 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000082304297 344730299 /nfs/dbraw/zinc/73/02/99/344730299.db2.gz WJRNMEMGFWZSGQ-GFCCVEGCSA-N 2 2 239.363 0.635 20 0 BCADLP [NH3+][C@H]1CC[N@H+](CCCOCC(F)(F)F)C1 ZINC000050244013 344744754 /nfs/dbraw/zinc/74/47/54/344744754.db2.gz BFBJPOLHAUJKBJ-QMMMGPOBSA-N 2 2 226.242 0.988 20 0 BCADLP [NH3+][C@H]1CC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000050244013 344744756 /nfs/dbraw/zinc/74/47/56/344744756.db2.gz BFBJPOLHAUJKBJ-QMMMGPOBSA-N 2 2 226.242 0.988 20 0 BCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000114335969 344685463 /nfs/dbraw/zinc/68/54/63/344685463.db2.gz PBWJETJXMSUNFD-JTQLQIEISA-N 2 2 236.319 0.900 20 0 BCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000114335969 344685465 /nfs/dbraw/zinc/68/54/65/344685465.db2.gz PBWJETJXMSUNFD-JTQLQIEISA-N 2 2 236.319 0.900 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038760 344688394 /nfs/dbraw/zinc/68/83/94/344688394.db2.gz BCMZTAGEIGBQPT-PHIMTYICSA-N 2 2 236.319 0.469 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038760 344688397 /nfs/dbraw/zinc/68/83/97/344688397.db2.gz BCMZTAGEIGBQPT-PHIMTYICSA-N 2 2 236.319 0.469 20 0 BCADLP FCCC[NH+]1CCN(CCn2cc[nH+]c2)CC1 ZINC000626070992 344715820 /nfs/dbraw/zinc/71/58/20/344715820.db2.gz LBNYZRJRIKGJOX-UHFFFAOYSA-N 2 2 240.326 0.860 20 0 BCADLP C[N@@H+]1CCN(C(=O)/C=C\C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000493414958 530066087 /nfs/dbraw/zinc/06/60/87/530066087.db2.gz FZLBYNSRAUCWOY-GZTOBOFZSA-N 2 2 239.363 0.690 20 0 BCADLP C[N@H+]1CCN(C(=O)/C=C\C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000493414958 530066088 /nfs/dbraw/zinc/06/60/88/530066088.db2.gz FZLBYNSRAUCWOY-GZTOBOFZSA-N 2 2 239.363 0.690 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492812719 530057261 /nfs/dbraw/zinc/05/72/61/530057261.db2.gz NMUPJANNMOIMGZ-DOGVGXBMSA-N 2 2 234.303 0.633 20 0 BCADLP C[N@H+]1CCC[C@@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492812719 530057262 /nfs/dbraw/zinc/05/72/62/530057262.db2.gz NMUPJANNMOIMGZ-DOGVGXBMSA-N 2 2 234.303 0.633 20 0 BCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000628149021 344835453 /nfs/dbraw/zinc/83/54/53/344835453.db2.gz JPALRBGSRPCXMH-SNVBAGLBSA-N 2 2 247.302 0.802 20 0 BCADLP C[NH+]1CCN(C(=O)C[NH2+]CC2(C)CCC2)CC1 ZINC000234354071 537865901 /nfs/dbraw/zinc/86/59/01/537865901.db2.gz QDRRWXCHPGENDO-UHFFFAOYSA-N 2 2 239.363 0.540 20 0 BCADLP Cc1c[nH]c(CN2C[C@H]3C[NH2+]C[C@H]3C2)[nH+]1 ZINC000628191622 344946018 /nfs/dbraw/zinc/94/60/18/344946018.db2.gz QPPJAMGBZOHSIN-AOOOYVTPSA-N 2 2 206.293 0.369 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C(F)(F)F)CC[N@@H+]1C ZINC000155864655 345108943 /nfs/dbraw/zinc/10/89/43/345108943.db2.gz IBYJUUMRZORNSY-HLTSFMKQSA-N 2 2 240.269 0.982 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C(F)(F)F)CC[N@H+]1C ZINC000155864655 345108946 /nfs/dbraw/zinc/10/89/46/345108946.db2.gz IBYJUUMRZORNSY-HLTSFMKQSA-N 2 2 240.269 0.982 20 0 BCADLP CC(C)[C@@H](C[NH3+])C[N@H+](C)C1CC[NH2+]CC1 ZINC000634991276 345174231 /nfs/dbraw/zinc/17/42/31/345174231.db2.gz XFJUPZUIWRLXMU-NSHDSACASA-N 3 2 213.369 0.901 20 0 BCADLP CC(C)[C@@H](C[NH3+])C[N@@H+](C)C1CC[NH2+]CC1 ZINC000634991276 345174234 /nfs/dbraw/zinc/17/42/34/345174234.db2.gz XFJUPZUIWRLXMU-NSHDSACASA-N 3 2 213.369 0.901 20 0 BCADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC34CC(C3)C[NH2+]4)C[C@@H]21 ZINC000634991690 345178451 /nfs/dbraw/zinc/17/84/51/345178451.db2.gz OBWPURSSIWWJQS-VWGAPNJBSA-N 3 2 235.375 0.798 20 0 BCADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC34CC(C3)C[NH2+]4)C[C@@H]21 ZINC000634991690 345178453 /nfs/dbraw/zinc/17/84/53/345178453.db2.gz OBWPURSSIWWJQS-VWGAPNJBSA-N 3 2 235.375 0.798 20 0 BCADLP COCCC[N@H+](CCO)CC12CC(C1)C[NH2+]2 ZINC000634994809 345182555 /nfs/dbraw/zinc/18/25/55/345182555.db2.gz NICREDABMMPDTE-UHFFFAOYSA-N 2 2 228.336 0.069 20 0 BCADLP COCCC[N@@H+](CCO)CC12CC(C1)C[NH2+]2 ZINC000634994809 345182557 /nfs/dbraw/zinc/18/25/57/345182557.db2.gz NICREDABMMPDTE-UHFFFAOYSA-N 2 2 228.336 0.069 20 0 BCADLP O=c1[nH]ccc2c1C[N@H+](CC13CC(C1)C[NH2+]3)CC2 ZINC000634994808 345182707 /nfs/dbraw/zinc/18/27/07/345182707.db2.gz NGCGYSKYSYFUCN-UHFFFAOYSA-N 2 2 245.326 0.897 20 0 BCADLP O=c1[nH]ccc2c1C[N@@H+](CC13CC(C1)C[NH2+]3)CC2 ZINC000634994808 345182709 /nfs/dbraw/zinc/18/27/09/345182709.db2.gz NGCGYSKYSYFUCN-UHFFFAOYSA-N 2 2 245.326 0.897 20 0 BCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634994794 345182832 /nfs/dbraw/zinc/18/28/32/345182832.db2.gz MVKFXSBPQBODMB-BBVFQPELSA-N 2 2 249.358 0.324 20 0 BCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634994794 345182833 /nfs/dbraw/zinc/18/28/33/345182833.db2.gz MVKFXSBPQBODMB-BBVFQPELSA-N 2 2 249.358 0.324 20 0 BCADLP C[C@H](C[NH2+][C@H]1CCNC(=O)CC1)[NH+](C)C ZINC000634959236 345132869 /nfs/dbraw/zinc/13/28/69/345132869.db2.gz LOAIKDNEKDQXAI-NXEZZACHSA-N 2 2 213.325 0.195 20 0 BCADLP C[N@H+](CCn1cccn1)CC12CC(C1)C[NH2+]2 ZINC000634992769 345187954 /nfs/dbraw/zinc/18/79/54/345187954.db2.gz AJDUEBZAZQDZHM-UHFFFAOYSA-N 2 2 220.320 0.567 20 0 BCADLP C[N@@H+](CCn1cccn1)CC12CC(C1)C[NH2+]2 ZINC000634992769 345187956 /nfs/dbraw/zinc/18/79/56/345187956.db2.gz AJDUEBZAZQDZHM-UHFFFAOYSA-N 2 2 220.320 0.567 20 0 BCADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1ccon1)CC2 ZINC000634977002 345153237 /nfs/dbraw/zinc/15/32/37/345153237.db2.gz NNSQTZFMTFMVOF-SECBINFHSA-N 2 2 218.260 0.976 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000634994331 345193232 /nfs/dbraw/zinc/19/32/32/345193232.db2.gz ZLCIBMJFNQRSMX-JHJVBQTASA-N 3 2 225.380 0.901 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000634994331 345193234 /nfs/dbraw/zinc/19/32/34/345193234.db2.gz ZLCIBMJFNQRSMX-JHJVBQTASA-N 3 2 225.380 0.901 20 0 BCADLP CC(C)[C@@H](C[NH3+])C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000634997886 345202666 /nfs/dbraw/zinc/20/26/66/345202666.db2.gz VLAYDZFDBOSTOO-GRYCIOLGSA-N 3 2 213.369 0.947 20 0 BCADLP Cn1ccc(C[NH+]2CCC([NH2+]CCO)CC2)c1 ZINC000635002067 345203477 /nfs/dbraw/zinc/20/34/77/345203477.db2.gz IRRYAVSSYWSIJY-UHFFFAOYSA-N 2 2 237.347 0.571 20 0 BCADLP Cn1ncnc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158948675 345391047 /nfs/dbraw/zinc/39/10/47/345391047.db2.gz JYAGESBBSBCQJV-VXGBXAGGSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncnc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158948675 345391050 /nfs/dbraw/zinc/39/10/50/345391050.db2.gz JYAGESBBSBCQJV-VXGBXAGGSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncnc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158948675 345391052 /nfs/dbraw/zinc/39/10/52/345391052.db2.gz JYAGESBBSBCQJV-VXGBXAGGSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncnc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158948675 345391055 /nfs/dbraw/zinc/39/10/55/345391055.db2.gz JYAGESBBSBCQJV-VXGBXAGGSA-N 2 2 249.362 0.731 20 0 BCADLP C[NH+](C)CC1(C(=O)NCCc2[nH]cc[nH+]2)CC1 ZINC000635546924 345581093 /nfs/dbraw/zinc/58/10/93/345581093.db2.gz WTBXCXAIWWWRBG-UHFFFAOYSA-N 2 2 236.319 0.410 20 0 BCADLP CC[C@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926732 345566518 /nfs/dbraw/zinc/56/65/18/345566518.db2.gz POQANOXGNPMQJH-NSHDSACASA-N 2 2 238.335 0.313 20 0 BCADLP NC(=O)c1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107577923 345568490 /nfs/dbraw/zinc/56/84/90/345568490.db2.gz ISKNAPZPFTXUGS-STQMWFEESA-N 2 2 245.326 0.437 20 0 BCADLP COC[C@H](O)C[NH2+]CCCCn1cc[nH+]c1 ZINC000068891939 349931056 /nfs/dbraw/zinc/93/10/56/349931056.db2.gz BYIIKAWBNHUNFU-LLVKDONJSA-N 2 2 227.308 0.260 20 0 BCADLP Cn1nncc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092071488 345615403 /nfs/dbraw/zinc/61/54/03/345615403.db2.gz BAMWFAVHCYCNAV-JTQLQIEISA-N 2 2 246.318 0.918 20 0 BCADLP Cn1nncc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092071488 345615405 /nfs/dbraw/zinc/61/54/05/345615405.db2.gz BAMWFAVHCYCNAV-JTQLQIEISA-N 2 2 246.318 0.918 20 0 BCADLP Cn1nncc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092071489 345615508 /nfs/dbraw/zinc/61/55/08/345615508.db2.gz BAMWFAVHCYCNAV-SNVBAGLBSA-N 2 2 246.318 0.918 20 0 BCADLP Cn1nncc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092071489 345615510 /nfs/dbraw/zinc/61/55/10/345615510.db2.gz BAMWFAVHCYCNAV-SNVBAGLBSA-N 2 2 246.318 0.918 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccncc1N ZINC000641710097 362626474 /nfs/dbraw/zinc/62/64/74/362626474.db2.gz MWJPSWUFXYLINT-LLVKDONJSA-N 2 2 220.320 0.848 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccncc1N ZINC000641710097 362626477 /nfs/dbraw/zinc/62/64/77/362626477.db2.gz MWJPSWUFXYLINT-LLVKDONJSA-N 2 2 220.320 0.848 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635557638 345718940 /nfs/dbraw/zinc/71/89/40/345718940.db2.gz AYYZKEKIDVKMGL-GMTAPVOTSA-N 2 2 248.330 0.724 20 0 BCADLP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635557638 345718942 /nfs/dbraw/zinc/71/89/42/345718942.db2.gz AYYZKEKIDVKMGL-GMTAPVOTSA-N 2 2 248.330 0.724 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635557638 345718945 /nfs/dbraw/zinc/71/89/45/345718945.db2.gz AYYZKEKIDVKMGL-GMTAPVOTSA-N 2 2 248.330 0.724 20 0 BCADLP CC(C)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000212243691 345726672 /nfs/dbraw/zinc/72/66/72/345726672.db2.gz KBFNANXAKZFLDT-NSHDSACASA-N 2 2 200.326 0.831 20 0 BCADLP CC(C)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000212243691 345726676 /nfs/dbraw/zinc/72/66/76/345726676.db2.gz KBFNANXAKZFLDT-NSHDSACASA-N 2 2 200.326 0.831 20 0 BCADLP C[N@@H+]1CCN(C(=O)CCC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000162695759 345762527 /nfs/dbraw/zinc/76/25/27/345762527.db2.gz QEWKCOFUANGPSA-NSHDSACASA-N 2 2 241.379 0.914 20 0 BCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000635590248 345883597 /nfs/dbraw/zinc/88/35/97/345883597.db2.gz TVLCFUHTDLTYSA-JTQLQIEISA-N 2 2 222.292 0.510 20 0 BCADLP C[N@H+]1CCCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000635590248 345883599 /nfs/dbraw/zinc/88/35/99/345883599.db2.gz TVLCFUHTDLTYSA-JTQLQIEISA-N 2 2 222.292 0.510 20 0 BCADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C)[NH+](C)C ZINC000635756720 346051267 /nfs/dbraw/zinc/05/12/67/346051267.db2.gz ICHKKQPBEYPIFO-OUAUKWLOSA-N 2 2 227.352 0.488 20 0 BCADLP COC(=O)[C@@H](CC(C)C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000586760914 346067470 /nfs/dbraw/zinc/06/74/70/346067470.db2.gz RUWQEOXWIXKNCT-GRYCIOLGSA-N 2 2 240.347 0.725 20 0 BCADLP COC(=O)[C@@H](CC(C)C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000586760914 346067473 /nfs/dbraw/zinc/06/74/73/346067473.db2.gz RUWQEOXWIXKNCT-GRYCIOLGSA-N 2 2 240.347 0.725 20 0 BCADLP C[C@H](C(=O)NCCc1c[nH+]cn1C)[NH+](C)C ZINC000635789881 346069980 /nfs/dbraw/zinc/06/99/80/346069980.db2.gz SISUOMLSMUWSOQ-SECBINFHSA-N 2 2 224.308 0.029 20 0 BCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000635985452 346138686 /nfs/dbraw/zinc/13/86/86/346138686.db2.gz IOMBCQPAPDZFPR-GHMZBOCLSA-N 2 2 248.330 0.266 20 0 BCADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000635985452 346138687 /nfs/dbraw/zinc/13/86/87/346138687.db2.gz IOMBCQPAPDZFPR-GHMZBOCLSA-N 2 2 248.330 0.266 20 0 BCADLP C[C@H](C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)[NH+](C)C ZINC000635994597 346144109 /nfs/dbraw/zinc/14/41/09/346144109.db2.gz HIHLHBHLFKOOKV-IVZWLZJFSA-N 2 2 236.319 0.955 20 0 BCADLP C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1[nH]cc[nH+]1 ZINC000635952071 346121815 /nfs/dbraw/zinc/12/18/15/346121815.db2.gz MELIEULAMIGXCR-ZJUUUORDSA-N 2 2 236.319 0.929 20 0 BCADLP C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)c1[nH]cc[nH+]1 ZINC000635952071 346121816 /nfs/dbraw/zinc/12/18/16/346121816.db2.gz MELIEULAMIGXCR-ZJUUUORDSA-N 2 2 236.319 0.929 20 0 BCADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000636029133 346163737 /nfs/dbraw/zinc/16/37/37/346163737.db2.gz ICMKTOIAVQCTPS-HBNTYKKESA-N 2 2 248.330 0.724 20 0 BCADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000636029133 346163740 /nfs/dbraw/zinc/16/37/40/346163740.db2.gz ICMKTOIAVQCTPS-HBNTYKKESA-N 2 2 248.330 0.724 20 0 BCADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000636029133 346163742 /nfs/dbraw/zinc/16/37/42/346163742.db2.gz ICMKTOIAVQCTPS-HBNTYKKESA-N 2 2 248.330 0.724 20 0 BCADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000636029133 346163745 /nfs/dbraw/zinc/16/37/45/346163745.db2.gz ICMKTOIAVQCTPS-HBNTYKKESA-N 2 2 248.330 0.724 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](CO)C1 ZINC000051887150 346193906 /nfs/dbraw/zinc/19/39/06/346193906.db2.gz MRTYUEGZEAGLAK-NSHDSACASA-N 2 2 209.293 0.506 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](CO)C1 ZINC000051887150 346193909 /nfs/dbraw/zinc/19/39/09/346193909.db2.gz MRTYUEGZEAGLAK-NSHDSACASA-N 2 2 209.293 0.506 20 0 BCADLP COC[C@](C)(O)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000531711674 323112113 /nfs/dbraw/zinc/11/21/13/323112113.db2.gz XYHTVZIJRMALKR-CYZMBNFOSA-N 2 2 242.363 0.456 20 0 BCADLP CN1CC[C@@H]([N@H+](C)C[C@H]2CCC[NH+](C)C2)C1=O ZINC000152361747 346255781 /nfs/dbraw/zinc/25/57/81/346255781.db2.gz BAKYKKIQASNTMB-NWDGAFQWSA-N 2 2 239.363 0.491 20 0 BCADLP CN1CC[C@@H]([N@@H+](C)C[C@H]2CCC[NH+](C)C2)C1=O ZINC000152361747 346255784 /nfs/dbraw/zinc/25/57/84/346255784.db2.gz BAKYKKIQASNTMB-NWDGAFQWSA-N 2 2 239.363 0.491 20 0 BCADLP CN1CC[C@@H]([NH+](C)C[C@H]2CCC[N@H+](C)C2)C1=O ZINC000152361747 346255786 /nfs/dbraw/zinc/25/57/86/346255786.db2.gz BAKYKKIQASNTMB-NWDGAFQWSA-N 2 2 239.363 0.491 20 0 BCADLP CN1CC[C@@H]([NH+](C)C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC000152361747 346255789 /nfs/dbraw/zinc/25/57/89/346255789.db2.gz BAKYKKIQASNTMB-NWDGAFQWSA-N 2 2 239.363 0.491 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636167840 346342531 /nfs/dbraw/zinc/34/25/31/346342531.db2.gz HSFIBARKHQJFAF-JTQLQIEISA-N 2 2 236.319 0.710 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636167840 346342534 /nfs/dbraw/zinc/34/25/34/346342534.db2.gz HSFIBARKHQJFAF-JTQLQIEISA-N 2 2 236.319 0.710 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636167840 346342536 /nfs/dbraw/zinc/34/25/36/346342536.db2.gz HSFIBARKHQJFAF-JTQLQIEISA-N 2 2 236.319 0.710 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636167840 346342540 /nfs/dbraw/zinc/34/25/40/346342540.db2.gz HSFIBARKHQJFAF-JTQLQIEISA-N 2 2 236.319 0.710 20 0 BCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH3+])CC2)c1 ZINC000019687526 179076984 /nfs/dbraw/zinc/07/69/84/179076984.db2.gz YPNOLDYFHXFMKH-UHFFFAOYSA-N 2 2 247.342 0.598 20 0 BCADLP CO[C@@]1(C[NH2+]CCCn2cc[nH+]c2)CCOC1 ZINC000160278428 346445813 /nfs/dbraw/zinc/44/58/13/346445813.db2.gz LWZYXEVWQNNSOG-GFCCVEGCSA-N 2 2 239.319 0.668 20 0 BCADLP CN(C)C(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000170793567 346451671 /nfs/dbraw/zinc/45/16/71/346451671.db2.gz XTPOZFMPYSFOLT-UHFFFAOYSA-N 2 2 227.352 0.492 20 0 BCADLP CN(C)C(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000170793567 346451673 /nfs/dbraw/zinc/45/16/73/346451673.db2.gz XTPOZFMPYSFOLT-UHFFFAOYSA-N 2 2 227.352 0.492 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000641798782 362746615 /nfs/dbraw/zinc/74/66/15/362746615.db2.gz IFAFKIXQWMYOOP-NQBHXWOUSA-N 3 2 236.363 0.939 20 0 BCADLP COc1cc(C[N@H+](C)C2CC([NH3+])C2)on1 ZINC000641798756 362746867 /nfs/dbraw/zinc/74/68/67/362746867.db2.gz MFHFKQLQAOJOAX-UHFFFAOYSA-N 2 2 211.265 0.605 20 0 BCADLP COc1cc(C[N@@H+](C)C2CC([NH3+])C2)on1 ZINC000641798756 362746871 /nfs/dbraw/zinc/74/68/71/362746871.db2.gz MFHFKQLQAOJOAX-UHFFFAOYSA-N 2 2 211.265 0.605 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000641799545 362748089 /nfs/dbraw/zinc/74/80/89/362748089.db2.gz WYGGJQQJCYGFDX-WDEREUQCSA-N 3 2 222.336 0.632 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000641799545 362748093 /nfs/dbraw/zinc/74/80/93/362748093.db2.gz WYGGJQQJCYGFDX-WDEREUQCSA-N 3 2 222.336 0.632 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000641799542 362748161 /nfs/dbraw/zinc/74/81/61/362748161.db2.gz WYGGJQQJCYGFDX-GHMZBOCLSA-N 3 2 222.336 0.632 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000641799542 362748167 /nfs/dbraw/zinc/74/81/67/362748167.db2.gz WYGGJQQJCYGFDX-GHMZBOCLSA-N 3 2 222.336 0.632 20 0 BCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000641799544 362748193 /nfs/dbraw/zinc/74/81/93/362748193.db2.gz WYGGJQQJCYGFDX-QWRGUYRKSA-N 3 2 222.336 0.632 20 0 BCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000641799544 362748201 /nfs/dbraw/zinc/74/82/01/362748201.db2.gz WYGGJQQJCYGFDX-QWRGUYRKSA-N 3 2 222.336 0.632 20 0 BCADLP COc1cc(C[NH2+][C@](C)(C[NH3+])C2CC2)on1 ZINC000641799571 362748600 /nfs/dbraw/zinc/74/86/00/362748600.db2.gz XKYPFDNTBAVFRH-LLVKDONJSA-N 2 2 225.292 0.900 20 0 BCADLP COc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)on1 ZINC000641799740 362748782 /nfs/dbraw/zinc/74/87/82/362748782.db2.gz SJDDBZCQOWTCMK-LLVKDONJSA-N 2 2 225.292 0.854 20 0 BCADLP COc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)on1 ZINC000641799740 362748789 /nfs/dbraw/zinc/74/87/89/362748789.db2.gz SJDDBZCQOWTCMK-LLVKDONJSA-N 2 2 225.292 0.854 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000641796754 362740322 /nfs/dbraw/zinc/74/03/22/362740322.db2.gz JALKGKSQPLCIFG-LLVKDONJSA-N 3 2 222.336 0.776 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000641796754 362740326 /nfs/dbraw/zinc/74/03/26/362740326.db2.gz JALKGKSQPLCIFG-LLVKDONJSA-N 3 2 222.336 0.776 20 0 BCADLP C[NH2+]CC1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000641797166 362741537 /nfs/dbraw/zinc/74/15/37/362741537.db2.gz WLUWQXRDHXOFFG-UHFFFAOYSA-N 3 2 236.363 0.894 20 0 BCADLP COc1cc(C[NH+]2CCC([NH3+])CC2)on1 ZINC000641797038 362741687 /nfs/dbraw/zinc/74/16/87/362741687.db2.gz QHHFBNMVVGCDQT-UHFFFAOYSA-N 2 2 211.265 0.606 20 0 BCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C1([NH3+])CC1 ZINC000580063840 346502965 /nfs/dbraw/zinc/50/29/65/346502965.db2.gz VOZLCNFIOXSATF-UHFFFAOYSA-N 2 2 248.330 0.669 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)C1 ZINC000580095795 346523692 /nfs/dbraw/zinc/52/36/92/346523692.db2.gz HTYQLJTWIVOCGC-UTUOFQBUSA-N 3 2 211.353 0.988 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cn2cccnc2n1 ZINC000641802593 362753160 /nfs/dbraw/zinc/75/31/60/362753160.db2.gz NIACSLPIERPQEK-MNOVXSKESA-N 2 2 245.330 0.945 20 0 BCADLP CC1(C)[C@H]([NH2+]Cc2ncnn2CCF)C[C@@H]1[NH3+] ZINC000641801583 362756514 /nfs/dbraw/zinc/75/65/14/362756514.db2.gz SUTSVZXRKKNWEX-DTWKUNHWSA-N 2 2 241.314 0.463 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)Nc1cc[nH+]cc1C(N)=O ZINC000580138167 346549277 /nfs/dbraw/zinc/54/92/77/346549277.db2.gz GQXASUMUWWYHSS-SECBINFHSA-N 2 2 245.286 0.300 20 0 BCADLP Cc1cnccc1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000311192411 259391741 /nfs/dbraw/zinc/39/17/41/259391741.db2.gz DZHSTHBSHWWVQL-CQSZACIVSA-N 2 2 249.358 0.935 20 0 BCADLP Cc1cnccc1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000311192411 259391742 /nfs/dbraw/zinc/39/17/42/259391742.db2.gz DZHSTHBSHWWVQL-CQSZACIVSA-N 2 2 249.358 0.935 20 0 BCADLP Cc1[nH]c(C(=O)NCC[C@@H]2CC[NH2+]C2)c[nH+]1 ZINC000580191977 346646459 /nfs/dbraw/zinc/64/64/59/346646459.db2.gz PDTQAVJVQLPGEN-VIFPVBQESA-N 2 2 222.292 0.448 20 0 BCADLP C[C@@H](CC(=O)NCc1c[nH+]cn1C)n1cc[nH+]c1 ZINC000580648131 365843390 /nfs/dbraw/zinc/84/33/90/365843390.db2.gz BXGHFXRZLJTLHA-JTQLQIEISA-N 2 2 247.302 0.884 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)Cc1cccnc1 ZINC000380077304 365854107 /nfs/dbraw/zinc/85/41/07/365854107.db2.gz RLAMWTFMJOVFQT-ZDUSSCGKSA-N 2 2 237.347 0.826 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)Cc1cccnc1 ZINC000380077304 365854111 /nfs/dbraw/zinc/85/41/11/365854111.db2.gz RLAMWTFMJOVFQT-ZDUSSCGKSA-N 2 2 237.347 0.826 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)Cc1cccnc1 ZINC000380077304 365854116 /nfs/dbraw/zinc/85/41/16/365854116.db2.gz RLAMWTFMJOVFQT-ZDUSSCGKSA-N 2 2 237.347 0.826 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)Cc1cccnc1 ZINC000380077304 365854119 /nfs/dbraw/zinc/85/41/19/365854119.db2.gz RLAMWTFMJOVFQT-ZDUSSCGKSA-N 2 2 237.347 0.826 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000168971184 346749611 /nfs/dbraw/zinc/74/96/11/346749611.db2.gz AVXNBPXTNAMXEB-QWRGUYRKSA-N 2 2 227.352 0.666 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000168971184 346749615 /nfs/dbraw/zinc/74/96/15/346749615.db2.gz AVXNBPXTNAMXEB-QWRGUYRKSA-N 2 2 227.352 0.666 20 0 BCADLP C[NH2+]CCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000577187820 365868851 /nfs/dbraw/zinc/86/88/51/365868851.db2.gz ULZNRAUQXYHZNE-NSHDSACASA-N 2 2 238.335 0.902 20 0 BCADLP Cn1cc[nH+]c1CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622005160 370655099 /nfs/dbraw/zinc/65/50/99/370655099.db2.gz ZNMGCOLDMPEWGZ-CMPLNLGQSA-N 2 2 220.320 0.733 20 0 BCADLP CCOC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601327330 347211398 /nfs/dbraw/zinc/21/13/98/347211398.db2.gz SWBDJQIPGPQVCB-RKDXNWHRSA-N 2 2 200.282 0.076 20 0 BCADLP CCOC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601327330 347211400 /nfs/dbraw/zinc/21/14/00/347211400.db2.gz SWBDJQIPGPQVCB-RKDXNWHRSA-N 2 2 200.282 0.076 20 0 BCADLP CCOC(=O)CC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601328314 347216914 /nfs/dbraw/zinc/21/69/14/347216914.db2.gz LCLIOJBIYZPMRH-PWSUYJOCSA-N 2 2 226.320 0.671 20 0 BCADLP COC(=O)CC1(C[N@@H+]2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000601328827 347217917 /nfs/dbraw/zinc/21/79/17/347217917.db2.gz AIDZXUKTABLRMA-NXEZZACHSA-N 2 2 226.320 0.751 20 0 BCADLP COC(=O)CC1(C[N@H+]2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000601328827 347217920 /nfs/dbraw/zinc/21/79/20/347217920.db2.gz AIDZXUKTABLRMA-NXEZZACHSA-N 2 2 226.320 0.751 20 0 BCADLP C[NH2+]C[C@@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000380215887 347260316 /nfs/dbraw/zinc/26/03/16/347260316.db2.gz JWHIEICVTBQIEG-SSDOTTSWSA-N 2 2 210.281 0.190 20 0 BCADLP CCN1CCC[N@H+](CCn2cc[nH+]c2)CC1=O ZINC000190191158 347323104 /nfs/dbraw/zinc/32/31/04/347323104.db2.gz ZJQSKDSJXHSSHD-UHFFFAOYSA-N 2 2 236.319 0.437 20 0 BCADLP CCN1CCC[N@@H+](CCn2cc[nH+]c2)CC1=O ZINC000190191158 347323107 /nfs/dbraw/zinc/32/31/07/347323107.db2.gz ZJQSKDSJXHSSHD-UHFFFAOYSA-N 2 2 236.319 0.437 20 0 BCADLP C[C@@H](CCCCO)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000679341087 488341552 /nfs/dbraw/zinc/34/15/52/488341552.db2.gz RECYKJLIGWXVEG-QWHCGFSZSA-N 2 2 243.395 0.373 20 0 BCADLP C[C@@H](CCCCO)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000679341087 488341554 /nfs/dbraw/zinc/34/15/54/488341554.db2.gz RECYKJLIGWXVEG-QWHCGFSZSA-N 2 2 243.395 0.373 20 0 BCADLP COC(=O)CC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591447828 347663481 /nfs/dbraw/zinc/66/34/81/347663481.db2.gz AKIJJBBEHSZBDU-UWVGGRQHSA-N 2 2 212.293 0.233 20 0 BCADLP COC(=O)CC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591447828 347663484 /nfs/dbraw/zinc/66/34/84/347663484.db2.gz AKIJJBBEHSZBDU-UWVGGRQHSA-N 2 2 212.293 0.233 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000591430248 347655215 /nfs/dbraw/zinc/65/52/15/347655215.db2.gz QQHOLZBZTLCDAV-QWRGUYRKSA-N 2 2 236.319 0.340 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000591430248 347655218 /nfs/dbraw/zinc/65/52/18/347655218.db2.gz QQHOLZBZTLCDAV-QWRGUYRKSA-N 2 2 236.319 0.340 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591869408 347704519 /nfs/dbraw/zinc/70/45/19/347704519.db2.gz UIXXOSJEEHGZSZ-QWRGUYRKSA-N 2 2 236.319 0.784 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591869408 347704520 /nfs/dbraw/zinc/70/45/20/347704520.db2.gz UIXXOSJEEHGZSZ-QWRGUYRKSA-N 2 2 236.319 0.784 20 0 BCADLP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000401759862 347761553 /nfs/dbraw/zinc/76/15/53/347761553.db2.gz ULEHBOVGYBHGNY-MNOVXSKESA-N 3 2 222.336 0.822 20 0 BCADLP COC(=O)[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000592493322 347787780 /nfs/dbraw/zinc/78/77/80/347787780.db2.gz KQXZLDZPOSYJCY-UWVGGRQHSA-N 2 2 212.293 0.233 20 0 BCADLP COC(=O)[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000592493322 347787785 /nfs/dbraw/zinc/78/77/85/347787785.db2.gz KQXZLDZPOSYJCY-UWVGGRQHSA-N 2 2 212.293 0.233 20 0 BCADLP CC[C@H](C)[N@@H+](CC(=O)OC)C[C@@H]1CC[NH2+]C1 ZINC000592495848 347788230 /nfs/dbraw/zinc/78/82/30/347788230.db2.gz SBJLPYQWLBJOTF-WDEREUQCSA-N 2 2 228.336 0.869 20 0 BCADLP CC[C@H](C)[N@H+](CC(=O)OC)C[C@@H]1CC[NH2+]C1 ZINC000592495848 347788233 /nfs/dbraw/zinc/78/82/33/347788233.db2.gz SBJLPYQWLBJOTF-WDEREUQCSA-N 2 2 228.336 0.869 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N[C@H](C)CC[NH3+] ZINC000493400136 347791312 /nfs/dbraw/zinc/79/13/12/347791312.db2.gz IVXVEFCUCUTRAS-UMCURTJPSA-N 2 2 236.319 0.770 20 0 BCADLP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000319556687 259398605 /nfs/dbraw/zinc/39/86/05/259398605.db2.gz PIIFZBSIJHNQMK-DCAQKATOSA-N 2 2 200.326 0.999 20 0 BCADLP C[C@H](C(=O)N(C)Cc1[nH]cc[nH+]1)[NH+]1CC(C)C1 ZINC000577386360 365941617 /nfs/dbraw/zinc/94/16/17/365941617.db2.gz PQRUOJUJSOZQMT-SNVBAGLBSA-N 2 2 236.319 0.708 20 0 BCADLP CSC[C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593909993 347969132 /nfs/dbraw/zinc/96/91/32/347969132.db2.gz PPEJUTVFNXSICT-DTWKUNHWSA-N 2 2 233.381 0.133 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000594919631 348153980 /nfs/dbraw/zinc/15/39/80/348153980.db2.gz IBEMUHQPKWFHIF-LNFKQOIKSA-N 2 2 228.336 0.724 20 0 BCADLP CSC[C@@](C)(O)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000594919806 348154614 /nfs/dbraw/zinc/15/46/14/348154614.db2.gz BIKGVVFSWCIBPO-NSHDSACASA-N 2 2 243.376 0.932 20 0 BCADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000595154336 348201163 /nfs/dbraw/zinc/20/11/63/348201163.db2.gz TWZMXBPLHVJVEU-RYUDHWBXSA-N 2 2 249.362 0.609 20 0 BCADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000595154336 348201168 /nfs/dbraw/zinc/20/11/68/348201168.db2.gz TWZMXBPLHVJVEU-RYUDHWBXSA-N 2 2 249.362 0.609 20 0 BCADLP Cn1cc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)nn1 ZINC000623489180 362914860 /nfs/dbraw/zinc/91/48/60/362914860.db2.gz SVOJIIBKACMBHF-JTQLQIEISA-N 2 2 237.351 0.778 20 0 BCADLP Cn1cc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)nn1 ZINC000623489180 362914868 /nfs/dbraw/zinc/91/48/68/362914868.db2.gz SVOJIIBKACMBHF-JTQLQIEISA-N 2 2 237.351 0.778 20 0 BCADLP COC(=O)[C@@H]1CC[N@H+](CC[NH3+])C[C@@H]1C ZINC000595905028 348396319 /nfs/dbraw/zinc/39/63/19/348396319.db2.gz OLUWJUPSLZYCCB-DTWKUNHWSA-N 2 2 200.282 0.076 20 0 BCADLP COC(=O)[C@@H]1CC[N@@H+](CC[NH3+])C[C@@H]1C ZINC000595905028 348396321 /nfs/dbraw/zinc/39/63/21/348396321.db2.gz OLUWJUPSLZYCCB-DTWKUNHWSA-N 2 2 200.282 0.076 20 0 BCADLP COc1nccnc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000419745858 192144631 /nfs/dbraw/zinc/14/46/31/192144631.db2.gz KTTNIBYAMQPASC-JTQLQIEISA-N 2 2 238.335 0.773 20 0 BCADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](CO)[C@@H](C)O)n2c1 ZINC000419793190 192145270 /nfs/dbraw/zinc/14/52/70/192145270.db2.gz BHFLWZDXFYZLCK-ZYHUDNBSSA-N 2 2 249.314 0.474 20 0 BCADLP Cn1cc[nH+]c1CNc1cnn(CC[NH+](C)C)c1 ZINC000596664040 348601336 /nfs/dbraw/zinc/60/13/36/348601336.db2.gz FBWGZQZRLVPFRV-UHFFFAOYSA-N 2 2 248.334 0.790 20 0 BCADLP CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000082759353 348625481 /nfs/dbraw/zinc/62/54/81/348625481.db2.gz RITJZYSOXTZPGD-GHMZBOCLSA-N 2 2 228.336 0.869 20 0 BCADLP CCOC(=O)[C@@H](CC)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000082759353 348625483 /nfs/dbraw/zinc/62/54/83/348625483.db2.gz RITJZYSOXTZPGD-GHMZBOCLSA-N 2 2 228.336 0.869 20 0 BCADLP COC(=O)[C@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000596981972 348642555 /nfs/dbraw/zinc/64/25/55/348642555.db2.gz SXVKZXMEUVZELX-JTQLQIEISA-N 2 2 249.314 0.824 20 0 BCADLP COC(=O)[C@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000596981972 348642558 /nfs/dbraw/zinc/64/25/58/348642558.db2.gz SXVKZXMEUVZELX-JTQLQIEISA-N 2 2 249.314 0.824 20 0 BCADLP COC(=O)[C@H]1CC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000596981368 348642858 /nfs/dbraw/zinc/64/28/58/348642858.db2.gz MLKCAVIKMMNNBB-JTQLQIEISA-N 2 2 237.303 0.723 20 0 BCADLP COC(=O)[C@H]1CC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000596981368 348642862 /nfs/dbraw/zinc/64/28/62/348642862.db2.gz MLKCAVIKMMNNBB-JTQLQIEISA-N 2 2 237.303 0.723 20 0 BCADLP COC(=O)[C@@H](C)C[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000596991726 348644230 /nfs/dbraw/zinc/64/42/30/348644230.db2.gz NYWSUXURLQGEPP-VIFPVBQESA-N 2 2 239.319 0.969 20 0 BCADLP COC(=O)[C@@H](C)C[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000596991726 348644231 /nfs/dbraw/zinc/64/42/31/348644231.db2.gz NYWSUXURLQGEPP-VIFPVBQESA-N 2 2 239.319 0.969 20 0 BCADLP COC(=O)[C@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000597245153 348688478 /nfs/dbraw/zinc/68/84/78/348688478.db2.gz NCAPSIFYNWEUOE-MGCOHNPYSA-N 2 2 249.314 0.871 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCS[C@H](C)C1 ZINC000308861836 348909050 /nfs/dbraw/zinc/90/90/50/348909050.db2.gz PNLVVQCXAQJSTO-MNOVXSKESA-N 2 2 232.393 0.736 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCS[C@H](C)C1 ZINC000308861836 348909053 /nfs/dbraw/zinc/90/90/53/348909053.db2.gz PNLVVQCXAQJSTO-MNOVXSKESA-N 2 2 232.393 0.736 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCS[C@H](C)C1 ZINC000308861836 348909054 /nfs/dbraw/zinc/90/90/54/348909054.db2.gz PNLVVQCXAQJSTO-MNOVXSKESA-N 2 2 232.393 0.736 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCS[C@H](C)C1 ZINC000308861836 348909058 /nfs/dbraw/zinc/90/90/58/348909058.db2.gz PNLVVQCXAQJSTO-MNOVXSKESA-N 2 2 232.393 0.736 20 0 BCADLP CCOC(=O)CC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598684736 349015850 /nfs/dbraw/zinc/01/58/50/349015850.db2.gz YEFDDBDGAKFQJC-PWSUYJOCSA-N 2 2 226.320 0.753 20 0 BCADLP CCOC(=O)CC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598684736 349015852 /nfs/dbraw/zinc/01/58/52/349015852.db2.gz YEFDDBDGAKFQJC-PWSUYJOCSA-N 2 2 226.320 0.753 20 0 BCADLP CC(C)[C@@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000251280029 349184510 /nfs/dbraw/zinc/18/45/10/349184510.db2.gz DFDMLUCTDCTVKX-GHMZBOCLSA-N 2 2 227.352 0.380 20 0 BCADLP CC(C)[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000251280029 349184511 /nfs/dbraw/zinc/18/45/11/349184511.db2.gz DFDMLUCTDCTVKX-GHMZBOCLSA-N 2 2 227.352 0.380 20 0 BCADLP CCC[C@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000251391199 349186664 /nfs/dbraw/zinc/18/66/64/349186664.db2.gz YBHFVENNOITXJS-WDEREUQCSA-N 2 2 227.352 0.524 20 0 BCADLP CCC[C@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000251391199 349186666 /nfs/dbraw/zinc/18/66/66/349186666.db2.gz YBHFVENNOITXJS-WDEREUQCSA-N 2 2 227.352 0.524 20 0 BCADLP CC(C)CCCN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000250507587 349173995 /nfs/dbraw/zinc/17/39/95/349173995.db2.gz ADACKWACFZQTLM-GFCCVEGCSA-N 2 2 213.369 0.997 20 0 BCADLP CC(C)CCCN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000250507587 349174000 /nfs/dbraw/zinc/17/40/00/349174000.db2.gz ADACKWACFZQTLM-GFCCVEGCSA-N 2 2 213.369 0.997 20 0 BCADLP CCn1ncnc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252762733 349212721 /nfs/dbraw/zinc/21/27/21/349212721.db2.gz DUPVUCFAGMJNIE-UWVGGRQHSA-N 2 2 223.324 0.467 20 0 BCADLP CCn1ncnc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252762733 349212725 /nfs/dbraw/zinc/21/27/25/349212725.db2.gz DUPVUCFAGMJNIE-UWVGGRQHSA-N 2 2 223.324 0.467 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000309005881 349285267 /nfs/dbraw/zinc/28/52/67/349285267.db2.gz NBLALNCXZVEGQL-IVZWLZJFSA-N 2 2 212.293 0.089 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000309005881 349285270 /nfs/dbraw/zinc/28/52/70/349285270.db2.gz NBLALNCXZVEGQL-IVZWLZJFSA-N 2 2 212.293 0.089 20 0 BCADLP Cc1[nH+]cc(C[N@@H+](C)CC[C@@H](C)O)n1C ZINC000667649508 490296810 /nfs/dbraw/zinc/29/68/10/490296810.db2.gz VYJKSLGMGIIMBM-SECBINFHSA-N 2 2 211.309 0.931 20 0 BCADLP Cc1[nH+]cc(C[N@H+](C)CC[C@@H](C)O)n1C ZINC000667649508 490296812 /nfs/dbraw/zinc/29/68/12/490296812.db2.gz VYJKSLGMGIIMBM-SECBINFHSA-N 2 2 211.309 0.931 20 0 BCADLP Cc1[nH+]c2n(c1C)CCN(C(=O)[C@@H]1CCC[NH2+]1)C2 ZINC000376209147 180109963 /nfs/dbraw/zinc/10/99/63/180109963.db2.gz IOIIOQAXYJMVPW-NSHDSACASA-N 2 2 248.330 0.594 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000133218959 191039424 /nfs/dbraw/zinc/03/94/24/191039424.db2.gz ULHLTFJSWGJPCO-RYUDHWBXSA-N 2 2 230.352 0.579 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000133218959 191039427 /nfs/dbraw/zinc/03/94/27/191039427.db2.gz ULHLTFJSWGJPCO-RYUDHWBXSA-N 2 2 230.352 0.579 20 0 BCADLP Cc1[nH+]c2ccccc2n1CC(=O)NCCC[NH3+] ZINC000178347307 180104314 /nfs/dbraw/zinc/10/43/14/180104314.db2.gz GBLWTNNHVFDSKP-UHFFFAOYSA-N 2 2 246.314 0.810 20 0 BCADLP Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)C[NH3+] ZINC000274433866 180104613 /nfs/dbraw/zinc/10/46/13/180104613.db2.gz ONDLAMIJHYGLDS-SECBINFHSA-N 2 2 246.314 0.808 20 0 BCADLP Cc1[nH]c(C(=O)NC2(C[NH3+])CCCC2)c[nH+]1 ZINC000335020811 180128665 /nfs/dbraw/zinc/12/86/65/180128665.db2.gz BFJDZXNHXJSQKU-UHFFFAOYSA-N 2 2 222.292 0.719 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@@H](C2CC2)[NH+](C)C)c[nH+]1 ZINC000339225995 180129509 /nfs/dbraw/zinc/12/95/09/180129509.db2.gz RPQSRGSGHXCIIZ-NSHDSACASA-N 2 2 236.319 0.788 20 0 BCADLP Cc1[nH]c(C(=O)NCC2([NH+](C)C)CCC2)c[nH+]1 ZINC000331962206 180131076 /nfs/dbraw/zinc/13/10/76/180131076.db2.gz KLUUHYGYBGXHIR-UHFFFAOYSA-N 2 2 236.319 0.932 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334326433 538065879 /nfs/dbraw/zinc/06/58/79/538065879.db2.gz LFQGXBZLWVGXBJ-ZDUSSCGKSA-N 2 2 234.347 0.996 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](CO)C2)n1C ZINC000013570101 180145618 /nfs/dbraw/zinc/14/56/18/180145618.db2.gz XBRXQAGNAMLHEG-SNVBAGLBSA-N 2 2 209.293 0.543 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](CO)C2)n1C ZINC000013570101 180145621 /nfs/dbraw/zinc/14/56/21/180145621.db2.gz XBRXQAGNAMLHEG-SNVBAGLBSA-N 2 2 209.293 0.543 20 0 BCADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCNC(=O)C1 ZINC000125431737 180231883 /nfs/dbraw/zinc/23/18/83/180231883.db2.gz QNJRQZMUKIHUDW-UHFFFAOYSA-N 2 2 236.319 0.404 20 0 BCADLP Cc1[nH+]ccn1CCCC[N@H+]1CCNC(=O)C1 ZINC000125431737 180231884 /nfs/dbraw/zinc/23/18/84/180231884.db2.gz QNJRQZMUKIHUDW-UHFFFAOYSA-N 2 2 236.319 0.404 20 0 BCADLP C([NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)[C@@H]1CCCO1 ZINC000422748942 192451972 /nfs/dbraw/zinc/45/19/72/192451972.db2.gz WUIIKNUQFHFSLU-YNEHKIRRSA-N 2 2 240.347 0.522 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+](C)CC(=O)N(C)C ZINC000270689588 180247216 /nfs/dbraw/zinc/24/72/16/180247216.db2.gz XFYYPCAUYVSKMQ-UHFFFAOYSA-N 2 2 224.308 0.212 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+](C)CC(=O)N(C)C ZINC000270689588 180247219 /nfs/dbraw/zinc/24/72/19/180247219.db2.gz XFYYPCAUYVSKMQ-UHFFFAOYSA-N 2 2 224.308 0.212 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+](C)Cc1nncn1C ZINC000336697528 180250592 /nfs/dbraw/zinc/25/05/92/180250592.db2.gz JRFAYUOCUHTCPU-UHFFFAOYSA-N 2 2 234.307 0.452 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+](C)Cc1nncn1C ZINC000336697528 180250595 /nfs/dbraw/zinc/25/05/95/180250595.db2.gz JRFAYUOCUHTCPU-UHFFFAOYSA-N 2 2 234.307 0.452 20 0 BCADLP CCOCC[N@H+](CC)C[C@H](O)C[NH+](C)CC ZINC000309261359 350244276 /nfs/dbraw/zinc/24/42/76/350244276.db2.gz PFXXPYXDSVWMEI-GFCCVEGCSA-N 2 2 232.368 0.657 20 0 BCADLP CCOCC[N@@H+](CC)C[C@H](O)C[NH+](C)CC ZINC000309261359 350244279 /nfs/dbraw/zinc/24/42/79/350244279.db2.gz PFXXPYXDSVWMEI-GFCCVEGCSA-N 2 2 232.368 0.657 20 0 BCADLP CCOCC[NH+](CC)C[C@H](O)C[N@H+](C)CC ZINC000309261359 350244282 /nfs/dbraw/zinc/24/42/82/350244282.db2.gz PFXXPYXDSVWMEI-GFCCVEGCSA-N 2 2 232.368 0.657 20 0 BCADLP CCOCC[NH+](CC)C[C@H](O)C[N@@H+](C)CC ZINC000309261359 350244286 /nfs/dbraw/zinc/24/42/86/350244286.db2.gz PFXXPYXDSVWMEI-GFCCVEGCSA-N 2 2 232.368 0.657 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282204538 180252276 /nfs/dbraw/zinc/25/22/76/180252276.db2.gz OBQMMNZVJPZWKS-JTQLQIEISA-N 2 2 236.319 0.354 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282204538 180252278 /nfs/dbraw/zinc/25/22/78/180252278.db2.gz OBQMMNZVJPZWKS-JTQLQIEISA-N 2 2 236.319 0.354 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000334150698 180253464 /nfs/dbraw/zinc/25/34/64/180253464.db2.gz NKRVGKYWJGKRFO-LBPRGKRZSA-N 2 2 248.330 0.498 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000334150698 180253465 /nfs/dbraw/zinc/25/34/65/180253465.db2.gz NKRVGKYWJGKRFO-LBPRGKRZSA-N 2 2 248.330 0.498 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279701581 180255752 /nfs/dbraw/zinc/25/57/52/180255752.db2.gz HBMRXSXMFQIILX-NSHDSACASA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000279701581 180255754 /nfs/dbraw/zinc/25/57/54/180255754.db2.gz HBMRXSXMFQIILX-NSHDSACASA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000296332827 180241112 /nfs/dbraw/zinc/24/11/12/180241112.db2.gz UVJMXUITEGSIOC-SNVBAGLBSA-N 2 2 236.319 0.402 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+]1CC(=O)N[C@H](C)C1 ZINC000296332827 180241115 /nfs/dbraw/zinc/24/11/15/180241115.db2.gz UVJMXUITEGSIOC-SNVBAGLBSA-N 2 2 236.319 0.402 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)[C@H](C)O ZINC000564975784 490435569 /nfs/dbraw/zinc/43/55/69/490435569.db2.gz MUABOOBAMIZZNG-GRYCIOLGSA-N 2 2 230.352 0.192 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)[C@H](C)O ZINC000564975784 490435575 /nfs/dbraw/zinc/43/55/75/490435575.db2.gz MUABOOBAMIZZNG-GRYCIOLGSA-N 2 2 230.352 0.192 20 0 BCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C[NH+](C)C ZINC000263867385 180265602 /nfs/dbraw/zinc/26/56/02/180265602.db2.gz GWCHPJPKOZKONF-JTQLQIEISA-N 2 2 238.335 0.505 20 0 BCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCC([NH3+])CC1 ZINC000026513963 350278032 /nfs/dbraw/zinc/27/80/32/350278032.db2.gz UEZILGMQGUCPLG-MRVPVSSYSA-N 2 2 211.309 0.077 20 0 BCADLP C[C@H](C[NH2+]Cc1cn[nH]c1)C[NH+]1CCOCC1 ZINC000606472545 350345474 /nfs/dbraw/zinc/34/54/74/350345474.db2.gz QKEQZISXUSYYBZ-LLVKDONJSA-N 2 2 238.335 0.468 20 0 BCADLP C[NH+](C)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606533390 350355706 /nfs/dbraw/zinc/35/57/06/350355706.db2.gz YZIDCWGAFXPRAL-UHFFFAOYSA-N 2 2 218.260 0.834 20 0 BCADLP CCOCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000069718022 350393796 /nfs/dbraw/zinc/39/37/96/350393796.db2.gz PBURZTRNNRXRIQ-UHFFFAOYSA-N 2 2 226.324 0.612 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000069891085 350439695 /nfs/dbraw/zinc/43/96/95/350439695.db2.gz NWNHKKFVDWBXAP-RYUDHWBXSA-N 2 2 230.352 0.722 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000069891085 350439699 /nfs/dbraw/zinc/43/96/99/350439699.db2.gz NWNHKKFVDWBXAP-RYUDHWBXSA-N 2 2 230.352 0.722 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)CC(C)(C)O ZINC000384759511 350509865 /nfs/dbraw/zinc/50/98/65/350509865.db2.gz AAQSAOUOTFXBIW-UTUOFQBUSA-N 2 2 244.379 0.893 20 0 BCADLP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000019517797 350558116 /nfs/dbraw/zinc/55/81/16/350558116.db2.gz TXSSREUYWMYLSP-GFCCVEGCSA-N 3 2 213.369 0.999 20 0 BCADLP CC[NH+](CC)CCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000019517797 350558117 /nfs/dbraw/zinc/55/81/17/350558117.db2.gz TXSSREUYWMYLSP-GFCCVEGCSA-N 3 2 213.369 0.999 20 0 BCADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C(C)(C)O ZINC000306399208 490635818 /nfs/dbraw/zinc/63/58/18/490635818.db2.gz JXZKGSBHDDUVDC-OPRDCNLKSA-N 2 2 200.326 0.686 20 0 BCADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C(C)(C)O ZINC000306399208 490635822 /nfs/dbraw/zinc/63/58/22/490635822.db2.gz JXZKGSBHDDUVDC-OPRDCNLKSA-N 2 2 200.326 0.686 20 0 BCADLP OCCOCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000606897866 350623768 /nfs/dbraw/zinc/62/37/68/350623768.db2.gz KRYFVVYATANIEN-GFCCVEGCSA-N 2 2 239.319 0.529 20 0 BCADLP OCCOCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000606897866 350623770 /nfs/dbraw/zinc/62/37/70/350623770.db2.gz KRYFVVYATANIEN-GFCCVEGCSA-N 2 2 239.319 0.529 20 0 BCADLP C[C@H]1C[N@H+](C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000335616144 538097526 /nfs/dbraw/zinc/09/75/26/538097526.db2.gz CBVNXIXWVLXICT-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000335616144 538097530 /nfs/dbraw/zinc/09/75/30/538097530.db2.gz CBVNXIXWVLXICT-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP C[C@H]1C[N@H+](C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000335616144 538097532 /nfs/dbraw/zinc/09/75/32/538097532.db2.gz CBVNXIXWVLXICT-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000335616144 538097538 /nfs/dbraw/zinc/09/75/38/538097538.db2.gz CBVNXIXWVLXICT-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C(N)=O)C[N@@H+]1C1CC1 ZINC000163759522 350818526 /nfs/dbraw/zinc/81/85/26/350818526.db2.gz XDSZZCQFIXZKBO-NXEZZACHSA-N 2 2 239.363 0.713 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C(N)=O)C[N@H+]1C1CC1 ZINC000163759522 350818529 /nfs/dbraw/zinc/81/85/29/350818529.db2.gz XDSZZCQFIXZKBO-NXEZZACHSA-N 2 2 239.363 0.713 20 0 BCADLP CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000616607358 350800040 /nfs/dbraw/zinc/80/00/40/350800040.db2.gz INBRUHUPVWJMHO-SNVBAGLBSA-N 2 2 243.351 0.934 20 0 BCADLP CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000616607358 350800042 /nfs/dbraw/zinc/80/00/42/350800042.db2.gz INBRUHUPVWJMHO-SNVBAGLBSA-N 2 2 243.351 0.934 20 0 BCADLP CCCn1ncnc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000216160408 350922074 /nfs/dbraw/zinc/92/20/74/350922074.db2.gz XOPUEHIYVAFZRF-WDEREUQCSA-N 2 2 237.351 0.857 20 0 BCADLP CCCn1ncnc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000216160408 350922080 /nfs/dbraw/zinc/92/20/80/350922080.db2.gz XOPUEHIYVAFZRF-WDEREUQCSA-N 2 2 237.351 0.857 20 0 BCADLP CCN1CC[N@H+](CCn2cc[nH+]c2)CC1=O ZINC000273375360 351524740 /nfs/dbraw/zinc/52/47/40/351524740.db2.gz CJSOKQVXCFGSGW-UHFFFAOYSA-N 2 2 222.292 0.047 20 0 BCADLP CCN1CC[N@@H+](CCn2cc[nH+]c2)CC1=O ZINC000273375360 351524744 /nfs/dbraw/zinc/52/47/44/351524744.db2.gz CJSOKQVXCFGSGW-UHFFFAOYSA-N 2 2 222.292 0.047 20 0 BCADLP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000637817232 351661676 /nfs/dbraw/zinc/66/16/76/351661676.db2.gz QGGADCQMXRHILA-IVZWLZJFSA-N 2 2 234.303 0.334 20 0 BCADLP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000637817232 351661678 /nfs/dbraw/zinc/66/16/78/351661678.db2.gz QGGADCQMXRHILA-IVZWLZJFSA-N 2 2 234.303 0.334 20 0 BCADLP [NH3+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000637815859 351655203 /nfs/dbraw/zinc/65/52/03/351655203.db2.gz CLLYHXLFPOHTAR-GMTAPVOTSA-N 2 2 248.330 0.853 20 0 BCADLP [NH3+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000637815859 351655205 /nfs/dbraw/zinc/65/52/05/351655205.db2.gz CLLYHXLFPOHTAR-GMTAPVOTSA-N 2 2 248.330 0.853 20 0 BCADLP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000637815969 351656156 /nfs/dbraw/zinc/65/61/56/351656156.db2.gz IPCFFZPYQJZBDS-HBNTYKKESA-N 2 2 248.330 0.772 20 0 BCADLP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000637815969 351656159 /nfs/dbraw/zinc/65/61/59/351656159.db2.gz IPCFFZPYQJZBDS-HBNTYKKESA-N 2 2 248.330 0.772 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000637817919 351662749 /nfs/dbraw/zinc/66/27/49/351662749.db2.gz YFMPTKBMJDNHBI-SNVBAGLBSA-N 2 2 236.319 0.600 20 0 BCADLP CC(C)C[C@H](C(=O)NCCC[NH3+])n1cc[nH+]c1 ZINC000637801181 351631454 /nfs/dbraw/zinc/63/14/54/351631454.db2.gz CHZBUBQCTXWSDZ-LLVKDONJSA-N 2 2 238.335 0.935 20 0 BCADLP CCO[C@@H]1C[C@@H]1[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000577739750 366047828 /nfs/dbraw/zinc/04/78/28/366047828.db2.gz JLSZLMDQWXROKV-WHOHXGKFSA-N 2 2 228.336 0.520 20 0 BCADLP CCO[C@@H]1C[C@@H]1[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000577739748 366048115 /nfs/dbraw/zinc/04/81/15/366048115.db2.gz JLSZLMDQWXROKV-FIQHERPVSA-N 2 2 228.336 0.520 20 0 BCADLP CCc1c[nH]c(CC(=O)N(C)[C@H]2CC[NH2+]C2)[nH+]1 ZINC000637838285 351693282 /nfs/dbraw/zinc/69/32/82/351693282.db2.gz UOWOVTQRHLRCFT-JTQLQIEISA-N 2 2 236.319 0.335 20 0 BCADLP C[NH2+]CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000637824401 351664538 /nfs/dbraw/zinc/66/45/38/351664538.db2.gz MJNNUMNVPKTZNC-NSHDSACASA-N 2 2 238.335 0.806 20 0 BCADLP CCc1c[nH]c(CC(=O)NC[C@@H]2CCC[NH2+]2)[nH+]1 ZINC000637826789 351674175 /nfs/dbraw/zinc/67/41/75/351674175.db2.gz HULFDSRSEJLLAR-JTQLQIEISA-N 2 2 236.319 0.383 20 0 BCADLP CC(C)=C(C)CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000637865710 351725507 /nfs/dbraw/zinc/72/55/07/351725507.db2.gz DLEHNPWTZMXCTR-LBPRGKRZSA-N 2 2 239.363 0.834 20 0 BCADLP CC(C)=C(C)CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000637865710 351725509 /nfs/dbraw/zinc/72/55/09/351725509.db2.gz DLEHNPWTZMXCTR-LBPRGKRZSA-N 2 2 239.363 0.834 20 0 BCADLP [NH3+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000637855547 351715397 /nfs/dbraw/zinc/71/53/97/351715397.db2.gz QCCAZVVHBATHSD-BBBLOLIVSA-N 2 2 234.303 0.367 20 0 BCADLP [NH3+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000637855547 351715404 /nfs/dbraw/zinc/71/54/04/351715404.db2.gz QCCAZVVHBATHSD-BBBLOLIVSA-N 2 2 234.303 0.367 20 0 BCADLP CC[NH+]1CCC([NH2+][C@@H](C)c2nncn2C)CC1 ZINC000037016765 358467020 /nfs/dbraw/zinc/46/70/20/358467020.db2.gz JJHCSKSWGNWLBN-JTQLQIEISA-N 2 2 237.351 0.950 20 0 BCADLP CC[NH2+][C@@H](C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000638062675 351935397 /nfs/dbraw/zinc/93/53/97/351935397.db2.gz OIVIPTAAMXOMDE-JTQLQIEISA-N 2 2 225.336 0.291 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000638139772 352005388 /nfs/dbraw/zinc/00/53/88/352005388.db2.gz ZIPKPLLSWHMWFA-LLVKDONJSA-N 2 2 248.330 0.614 20 0 BCADLP CCc1c[nH]c(CC(=O)NC[C@H](C)C[NH3+])[nH+]1 ZINC000638143752 352006735 /nfs/dbraw/zinc/00/67/35/352006735.db2.gz JKKIVCWIKNCFQB-MRVPVSSYSA-N 2 2 224.308 0.226 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000638199100 352062852 /nfs/dbraw/zinc/06/28/52/352062852.db2.gz HCNOWGWUWFHSOV-ZJUUUORDSA-N 2 2 236.319 0.647 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000638199100 352062854 /nfs/dbraw/zinc/06/28/54/352062854.db2.gz HCNOWGWUWFHSOV-ZJUUUORDSA-N 2 2 236.319 0.647 20 0 BCADLP Cc1cn2ccc(C(=O)NC[C@H](C)[NH3+])cc2[nH+]1 ZINC000638210191 352072660 /nfs/dbraw/zinc/07/26/60/352072660.db2.gz FKAUYRVCPQGCFN-QMMMGPOBSA-N 2 2 232.287 0.720 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CC[NH3+] ZINC000638153158 352017424 /nfs/dbraw/zinc/01/74/24/352017424.db2.gz CQVLSMAXZVCZIE-SSDOTTSWSA-N 2 2 210.281 0.114 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H](C)CC[NH3+] ZINC000638153158 352017428 /nfs/dbraw/zinc/01/74/28/352017428.db2.gz CQVLSMAXZVCZIE-SSDOTTSWSA-N 2 2 210.281 0.114 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000638158381 352022173 /nfs/dbraw/zinc/02/21/73/352022173.db2.gz PRLHYISTTKYLNZ-BDAKNGLRSA-N 2 2 236.319 0.469 20 0 BCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](C)C[NH2+]1 ZINC000638157856 352025500 /nfs/dbraw/zinc/02/55/00/352025500.db2.gz GFTOGTYYUCCOCE-GWOFURMSSA-N 2 2 248.330 0.722 20 0 BCADLP Cc1cn2ccc(C(=O)N[C@H](C)C[NH3+])cc2[nH+]1 ZINC000638170046 352034702 /nfs/dbraw/zinc/03/47/02/352034702.db2.gz CEUBWRQUCXTQNX-MRVPVSSYSA-N 2 2 232.287 0.720 20 0 BCADLP CC(C)C[C@@H](C(=O)N[C@H](C)C[NH3+])n1cc[nH+]c1 ZINC000638171062 352038343 /nfs/dbraw/zinc/03/83/43/352038343.db2.gz JOEFITWZYWXHCM-MNOVXSKESA-N 2 2 238.335 0.934 20 0 BCADLP CC[N@@H+]1CCN(CCn2cc[nH+]c2)[C@H](C)C1 ZINC000286342375 352085889 /nfs/dbraw/zinc/08/58/89/352085889.db2.gz FDNQRWVJSHNZGC-GFCCVEGCSA-N 2 2 222.336 0.909 20 0 BCADLP CC[N@H+]1CCN(CCn2cc[nH+]c2)[C@H](C)C1 ZINC000286342375 352085890 /nfs/dbraw/zinc/08/58/90/352085890.db2.gz FDNQRWVJSHNZGC-GFCCVEGCSA-N 2 2 222.336 0.909 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCCC[NH3+] ZINC000638243265 352090680 /nfs/dbraw/zinc/09/06/80/352090680.db2.gz MQSRINSITNMOQH-SECBINFHSA-N 2 2 238.335 0.894 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H](C)CCCC[NH3+] ZINC000638243265 352090684 /nfs/dbraw/zinc/09/06/84/352090684.db2.gz MQSRINSITNMOQH-SECBINFHSA-N 2 2 238.335 0.894 20 0 BCADLP CC[N@@H+]1CCN(Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000286688335 352100523 /nfs/dbraw/zinc/10/05/23/352100523.db2.gz VVNHYQUKTWQWFK-JTQLQIEISA-N 2 2 208.309 0.936 20 0 BCADLP CC[N@H+]1CCN(Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000286688335 352100525 /nfs/dbraw/zinc/10/05/25/352100525.db2.gz VVNHYQUKTWQWFK-JTQLQIEISA-N 2 2 208.309 0.936 20 0 BCADLP CC[N@@H+]1CCN(Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000286688335 352100527 /nfs/dbraw/zinc/10/05/27/352100527.db2.gz VVNHYQUKTWQWFK-JTQLQIEISA-N 2 2 208.309 0.936 20 0 BCADLP CC[N@H+]1CCN(Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000286688335 352100529 /nfs/dbraw/zinc/10/05/29/352100529.db2.gz VVNHYQUKTWQWFK-JTQLQIEISA-N 2 2 208.309 0.936 20 0 BCADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@]1(OC)CCOC1 ZINC000638281669 352116407 /nfs/dbraw/zinc/11/64/07/352116407.db2.gz VIBSLEHUGDVHQT-STQMWFEESA-N 2 2 242.363 0.866 20 0 BCADLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@@]1(OC)CCOC1 ZINC000638281669 352116411 /nfs/dbraw/zinc/11/64/11/352116411.db2.gz VIBSLEHUGDVHQT-STQMWFEESA-N 2 2 242.363 0.866 20 0 BCADLP CC(C)C[C@H](C(=O)N(C)CC[NH3+])n1cc[nH+]c1 ZINC000638341900 352161629 /nfs/dbraw/zinc/16/16/29/352161629.db2.gz CYIHIJYNBYXZAR-LLVKDONJSA-N 2 2 238.335 0.887 20 0 BCADLP CCc1c[nH]c(CC(=O)N[C@@H](C)C[C@@H](C)[NH3+])[nH+]1 ZINC000638370440 352181841 /nfs/dbraw/zinc/18/18/41/352181841.db2.gz YBHORJMGDURPOC-BDAKNGLRSA-N 2 2 238.335 0.757 20 0 BCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H](C[NH3+])C1CC1 ZINC000638329925 352150060 /nfs/dbraw/zinc/15/00/60/352150060.db2.gz XJJZRTVXQYSEOI-CKYFFXLPSA-N 2 2 248.330 0.709 20 0 BCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H](C[NH3+])C1CC1 ZINC000638329925 352150064 /nfs/dbraw/zinc/15/00/64/352150064.db2.gz XJJZRTVXQYSEOI-CKYFFXLPSA-N 2 2 248.330 0.709 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000638426818 352235121 /nfs/dbraw/zinc/23/51/21/352235121.db2.gz HCAUSUAIWAAFIK-SNVBAGLBSA-N 2 2 238.335 0.750 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000638426818 352235125 /nfs/dbraw/zinc/23/51/25/352235125.db2.gz HCAUSUAIWAAFIK-SNVBAGLBSA-N 2 2 238.335 0.750 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC(C)(C)[NH3+] ZINC000638402793 352209290 /nfs/dbraw/zinc/20/92/90/352209290.db2.gz SNSPBPRQPJERDV-UHFFFAOYSA-N 2 2 224.308 0.456 20 0 BCADLP CC[NH2+][C@@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000638404002 352210460 /nfs/dbraw/zinc/21/04/60/352210460.db2.gz WZDQUMIKHCCEQG-QMMMGPOBSA-N 2 2 210.281 0.366 20 0 BCADLP Cc1ccsc1C[N@H+](CC[NH3+])CCO ZINC000414918122 352272968 /nfs/dbraw/zinc/27/29/68/352272968.db2.gz XVGBDVYENCWKNZ-UHFFFAOYSA-N 2 2 214.334 0.810 20 0 BCADLP Cc1ccsc1C[N@@H+](CC[NH3+])CCO ZINC000414918122 352272971 /nfs/dbraw/zinc/27/29/71/352272971.db2.gz XVGBDVYENCWKNZ-UHFFFAOYSA-N 2 2 214.334 0.810 20 0 BCADLP CCn1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cn1 ZINC000414931980 352338472 /nfs/dbraw/zinc/33/84/72/352338472.db2.gz QNWWUMGKESMPCL-CMPLNLGQSA-N 2 2 222.336 0.991 20 0 BCADLP CC[C@@H]1C(=O)NCC[N@H+]1CCc1c[nH+]cn1C ZINC000297571661 352479194 /nfs/dbraw/zinc/47/91/94/352479194.db2.gz CYKAQKQBHUMMFK-LLVKDONJSA-N 2 2 236.319 0.173 20 0 BCADLP CC[C@@H]1C(=O)NCC[N@@H+]1CCc1c[nH+]cn1C ZINC000297571661 352479198 /nfs/dbraw/zinc/47/91/98/352479198.db2.gz CYKAQKQBHUMMFK-LLVKDONJSA-N 2 2 236.319 0.173 20 0 BCADLP C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[NH2+]1 ZINC000638642520 352484078 /nfs/dbraw/zinc/48/40/78/352484078.db2.gz WQOYYUWANGSOPL-UKKRHICBSA-N 2 2 248.330 0.770 20 0 BCADLP C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[NH2+]1 ZINC000638642520 352484080 /nfs/dbraw/zinc/48/40/80/352484080.db2.gz WQOYYUWANGSOPL-UKKRHICBSA-N 2 2 248.330 0.770 20 0 BCADLP CC[NH+](CC)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC000073639355 352556799 /nfs/dbraw/zinc/55/67/99/352556799.db2.gz JFLAOMRIFLEFIG-NSHDSACASA-N 2 2 238.335 0.730 20 0 BCADLP CC[NH+](CC)CCC[NH2+]C1(C(=O)N(C)C)CC1 ZINC000411913059 191229432 /nfs/dbraw/zinc/22/94/32/191229432.db2.gz NKQDLDAYCBYUEQ-UHFFFAOYSA-N 2 2 241.379 0.929 20 0 BCADLP C[C@H](CC(=O)N[C@@H]1CC[NH2+][C@H]1C)n1cc[nH+]c1 ZINC000638764781 352703929 /nfs/dbraw/zinc/70/39/29/352703929.db2.gz HSUCUMYRXUAQOJ-OUAUKWLOSA-N 2 2 236.319 0.701 20 0 BCADLP Cn1c[nH+]cc1C[NH2+][C@@H]1CCCCNC1=O ZINC000082394178 180786796 /nfs/dbraw/zinc/78/67/96/180786796.db2.gz AQQLNUKSRWBPOW-SNVBAGLBSA-N 2 2 222.292 0.178 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000638781150 352733817 /nfs/dbraw/zinc/73/38/17/352733817.db2.gz WNWYBXDBEUASMJ-GXSJLCMTSA-N 2 2 244.298 0.815 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342148634 187867927 /nfs/dbraw/zinc/86/79/27/187867927.db2.gz XISLRPHCKPEYCL-JTQLQIEISA-N 2 2 227.352 0.618 20 0 BCADLP C[C@H](C[NH+](C)C)NC(=O)NCCn1cc[nH+]c1 ZINC000342913637 352916716 /nfs/dbraw/zinc/91/67/16/352916716.db2.gz UVOQHWZQQULZFA-SNVBAGLBSA-N 2 2 239.323 0.132 20 0 BCADLP C[C@@H]1C[N@H+](C)CCN1Cc1c[nH+]cn1C ZINC000334312091 352943429 /nfs/dbraw/zinc/94/34/29/352943429.db2.gz HBAOLSGSCJPMBL-SNVBAGLBSA-N 2 2 208.309 0.556 20 0 BCADLP C[C@@H]1C[N@@H+](C)CCN1Cc1c[nH+]cn1C ZINC000334312091 352943432 /nfs/dbraw/zinc/94/34/32/352943432.db2.gz HBAOLSGSCJPMBL-SNVBAGLBSA-N 2 2 208.309 0.556 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@@H](C)C1 ZINC000334375850 353032041 /nfs/dbraw/zinc/03/20/41/353032041.db2.gz VGSGXMATEMRSFR-JTQLQIEISA-N 2 2 209.293 0.912 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@@H](C)C1 ZINC000334375850 353032043 /nfs/dbraw/zinc/03/20/43/353032043.db2.gz VGSGXMATEMRSFR-JTQLQIEISA-N 2 2 209.293 0.912 20 0 BCADLP O=C(c1ccc2[nH+]ccn2c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914124 353072937 /nfs/dbraw/zinc/07/29/37/353072937.db2.gz MGNGBQZPUVJOQN-QWRGUYRKSA-N 2 2 242.282 0.521 20 0 BCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000638864671 353038494 /nfs/dbraw/zinc/03/84/94/353038494.db2.gz BKZDUQJSQRCNJE-IJLUTSLNSA-N 2 2 241.379 0.973 20 0 BCADLP CCc1c[nH]c(CC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)[nH+]1 ZINC000638926383 353086620 /nfs/dbraw/zinc/08/66/20/353086620.db2.gz FOIGKUFEPKDHGH-PHIMTYICSA-N 2 2 248.330 0.477 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638923169 353090321 /nfs/dbraw/zinc/09/03/21/353090321.db2.gz ASYFJUTZZBTYGG-PHIMTYICSA-N 2 2 234.303 0.236 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000417388907 353178672 /nfs/dbraw/zinc/17/86/72/353178672.db2.gz OZXARYSCZBPPND-GMTAPVOTSA-N 2 2 247.333 0.866 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000417388907 353178674 /nfs/dbraw/zinc/17/86/74/353178674.db2.gz OZXARYSCZBPPND-GMTAPVOTSA-N 2 2 247.333 0.866 20 0 BCADLP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)nn1 ZINC000054861024 188126791 /nfs/dbraw/zinc/12/67/91/188126791.db2.gz GEUPJASZVZDTRZ-JTQLQIEISA-N 2 2 223.324 0.247 20 0 BCADLP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)nn1 ZINC000054861024 188126792 /nfs/dbraw/zinc/12/67/92/188126792.db2.gz GEUPJASZVZDTRZ-JTQLQIEISA-N 2 2 223.324 0.247 20 0 BCADLP CO[C@@H](C)C[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309486730 188167921 /nfs/dbraw/zinc/16/79/21/188167921.db2.gz XFKUEDMAPBSUMK-CMPLNLGQSA-N 2 2 230.352 0.408 20 0 BCADLP CO[C@@H](C)C[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309486730 188167923 /nfs/dbraw/zinc/16/79/23/188167923.db2.gz XFKUEDMAPBSUMK-CMPLNLGQSA-N 2 2 230.352 0.408 20 0 BCADLP CO[C@@H](C)C[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309486730 188167924 /nfs/dbraw/zinc/16/79/24/188167924.db2.gz XFKUEDMAPBSUMK-CMPLNLGQSA-N 2 2 230.352 0.408 20 0 BCADLP CO[C@@H](C)C[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309486730 188167926 /nfs/dbraw/zinc/16/79/26/188167926.db2.gz XFKUEDMAPBSUMK-CMPLNLGQSA-N 2 2 230.352 0.408 20 0 BCADLP CC(=O)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182621911 188168058 /nfs/dbraw/zinc/16/80/58/188168058.db2.gz WMGALUNZBLFZCB-UHFFFAOYSA-N 2 2 236.319 0.437 20 0 BCADLP Cc1csc(N2CC[NH+](CCC[NH3+])CC2)n1 ZINC000037674050 358476527 /nfs/dbraw/zinc/47/65/27/358476527.db2.gz SDAYESGNRJDIIK-UHFFFAOYSA-N 2 2 240.376 0.922 20 0 BCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CC[NH+](C)CC1 ZINC000257722580 188193510 /nfs/dbraw/zinc/19/35/10/188193510.db2.gz VAAVKQDCYRCQAK-CYBMUJFWSA-N 2 2 247.342 0.769 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000639013563 353271154 /nfs/dbraw/zinc/27/11/54/353271154.db2.gz PIHKHPATHLBVNZ-CABZTGNLSA-N 2 2 234.303 0.368 20 0 BCADLP CC[NH2+][C@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000639017412 353271493 /nfs/dbraw/zinc/27/14/93/353271493.db2.gz VEXQOFASTFDYTR-MRVPVSSYSA-N 2 2 210.281 0.366 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@]2(CC)CCC[NH2+]2)CC1 ZINC000128731258 353298717 /nfs/dbraw/zinc/29/87/17/353298717.db2.gz QLWWVMKTWHQBMF-ZDUSSCGKSA-N 2 2 239.363 0.683 20 0 BCADLP C[NH+](C)C1CC(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000622008621 370660621 /nfs/dbraw/zinc/66/06/21/370660621.db2.gz VWCIMWKDYRSRKH-UHFFFAOYSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1CCCCO1 ZINC000252962649 353313011 /nfs/dbraw/zinc/31/30/11/353313011.db2.gz PETWFIHRKYNVKH-JHJVBQTASA-N 2 2 242.363 0.912 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000639053628 353356051 /nfs/dbraw/zinc/35/60/51/353356051.db2.gz KOXYFRDMVCCBJU-ZJUUUORDSA-N 2 2 236.306 0.934 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000639053628 353356054 /nfs/dbraw/zinc/35/60/54/353356054.db2.gz KOXYFRDMVCCBJU-ZJUUUORDSA-N 2 2 236.306 0.934 20 0 BCADLP Cc1[nH+]ccn1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000085283544 538116457 /nfs/dbraw/zinc/11/64/57/538116457.db2.gz OMZCAHSLJCBIRJ-RYUDHWBXSA-N 3 2 220.320 0.343 20 0 BCADLP COCC[N@H+](C)CCC[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000343301769 353467158 /nfs/dbraw/zinc/46/71/58/353467158.db2.gz JFKLYYRADOPARY-STQMWFEESA-N 2 2 243.395 0.494 20 0 BCADLP COCC[N@@H+](C)CCC[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000343301769 353467159 /nfs/dbraw/zinc/46/71/59/353467159.db2.gz JFKLYYRADOPARY-STQMWFEESA-N 2 2 243.395 0.494 20 0 BCADLP Cc1cccn2cc(CC(=O)N[C@H](C)C[NH3+])[nH+]c12 ZINC000577876309 366093980 /nfs/dbraw/zinc/09/39/80/366093980.db2.gz UKVMCUBDNOSFTR-SNVBAGLBSA-N 2 2 246.314 0.649 20 0 BCADLP Cn1ccnc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037904963 358480052 /nfs/dbraw/zinc/48/00/52/358480052.db2.gz ITLHIZBOGCEJSJ-LLVKDONJSA-N 2 2 234.347 0.994 20 0 BCADLP Cn1ccnc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037904963 358480054 /nfs/dbraw/zinc/48/00/54/358480054.db2.gz ITLHIZBOGCEJSJ-LLVKDONJSA-N 2 2 234.347 0.994 20 0 BCADLP CO[C@H](C[NH3+])CC(=O)Nc1cc[nH+]c(C)c1 ZINC000232122426 353690983 /nfs/dbraw/zinc/69/09/83/353690983.db2.gz HGQVUHHPLLZLSE-JTQLQIEISA-N 2 2 223.276 0.692 20 0 BCADLP COCC[NH2+]CC[NH2+][C@@H](COC)C1CC1 ZINC000398084713 324217195 /nfs/dbraw/zinc/21/71/95/324217195.db2.gz HUTSPUWGVURIGP-NSHDSACASA-N 2 2 216.325 0.237 20 0 BCADLP COC[C@H](O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000577931494 366108213 /nfs/dbraw/zinc/10/82/13/366108213.db2.gz XARZVQYGOYIQCZ-WDEREUQCSA-N 2 2 239.319 0.217 20 0 BCADLP COC[C@H](O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000577931494 366108217 /nfs/dbraw/zinc/10/82/17/366108217.db2.gz XARZVQYGOYIQCZ-WDEREUQCSA-N 2 2 239.319 0.217 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC000343344723 353824754 /nfs/dbraw/zinc/82/47/54/353824754.db2.gz DLHCSEFWPIUPQU-WCQYABFASA-N 2 2 236.363 0.892 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC000343344723 353824756 /nfs/dbraw/zinc/82/47/56/353824756.db2.gz DLHCSEFWPIUPQU-WCQYABFASA-N 2 2 236.363 0.892 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cn(C)nn2)C1 ZINC000220203287 353826831 /nfs/dbraw/zinc/82/68/31/353826831.db2.gz IWWZWVGZTNGYDO-ZJUUUORDSA-N 2 2 223.324 0.374 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(C)nn2)C1 ZINC000220203287 353826833 /nfs/dbraw/zinc/82/68/33/353826833.db2.gz IWWZWVGZTNGYDO-ZJUUUORDSA-N 2 2 223.324 0.374 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccoc1 ZINC000577946924 366126221 /nfs/dbraw/zinc/12/62/21/366126221.db2.gz IPVXNSHMXCVSEM-PWSUYJOCSA-N 2 2 223.320 0.834 20 0 BCADLP C[C@H](C[NH+](C)C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC000343785493 353991550 /nfs/dbraw/zinc/99/15/50/353991550.db2.gz BCHCXVWNRAQRRA-SNVBAGLBSA-N 2 2 249.362 0.827 20 0 BCADLP C[C@H](C[NH+](C)C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000343785493 353991552 /nfs/dbraw/zinc/99/15/52/353991552.db2.gz BCHCXVWNRAQRRA-SNVBAGLBSA-N 2 2 249.362 0.827 20 0 BCADLP COCCOCCCC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000343918169 354041372 /nfs/dbraw/zinc/04/13/72/354041372.db2.gz QPEZRJHZLMEZGO-CHWSQXEVSA-N 2 2 244.379 0.969 20 0 BCADLP COCCOCCCC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000343918169 354041376 /nfs/dbraw/zinc/04/13/76/354041376.db2.gz QPEZRJHZLMEZGO-CHWSQXEVSA-N 2 2 244.379 0.969 20 0 BCADLP O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623176043 354001715 /nfs/dbraw/zinc/00/17/15/354001715.db2.gz BRWYEQMYTZMRLN-GHMZBOCLSA-N 2 2 248.330 0.314 20 0 BCADLP C[C@@H](C[NH3+])N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623176237 354009305 /nfs/dbraw/zinc/00/93/05/354009305.db2.gz PVWZVOWEIYGJMQ-UWVGGRQHSA-N 2 2 236.319 0.251 20 0 BCADLP C[C@H](C[NH3+])N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623176239 354009436 /nfs/dbraw/zinc/00/94/36/354009436.db2.gz PVWZVOWEIYGJMQ-ZJUUUORDSA-N 2 2 236.319 0.251 20 0 BCADLP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CC[NH2+]C1 ZINC000623176227 354009521 /nfs/dbraw/zinc/00/95/21/354009521.db2.gz PJRHEMZENAGVQC-MNOVXSKESA-N 2 2 248.330 0.266 20 0 BCADLP CC(C)(C[NH3+])NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623176259 354010414 /nfs/dbraw/zinc/01/04/14/354010414.db2.gz QZBUCEAOXNKHEY-VIFPVBQESA-N 2 2 236.319 0.299 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCc1cnn(C)c1 ZINC000343951755 354070234 /nfs/dbraw/zinc/07/02/34/354070234.db2.gz NTTDMQLPBXFXHI-DGCLKSJQSA-N 2 2 236.363 0.892 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCc1cnn(C)c1 ZINC000343951755 354070237 /nfs/dbraw/zinc/07/02/37/354070237.db2.gz NTTDMQLPBXFXHI-DGCLKSJQSA-N 2 2 236.363 0.892 20 0 BCADLP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H](C)C[NH+](C)C ZINC000639168512 354075339 /nfs/dbraw/zinc/07/53/39/354075339.db2.gz SGZVTXJEHFRLSR-SRVKXCTJSA-N 2 2 241.379 0.973 20 0 BCADLP CC(=O)N1CC[N@H+](C[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000334572944 354102290 /nfs/dbraw/zinc/10/22/90/354102290.db2.gz ZWRPQGNUPVXTOL-WCQYABFASA-N 2 2 239.363 0.539 20 0 BCADLP CC(=O)N1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000334572944 354102292 /nfs/dbraw/zinc/10/22/92/354102292.db2.gz ZWRPQGNUPVXTOL-WCQYABFASA-N 2 2 239.363 0.539 20 0 BCADLP Cc1nc2n(n1)C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC000344052978 354123921 /nfs/dbraw/zinc/12/39/21/354123921.db2.gz DUNOHPVDPSJLHF-WCQGTBRESA-N 2 2 249.362 0.441 20 0 BCADLP Cc1nc2n(n1)C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC000344052978 354123923 /nfs/dbraw/zinc/12/39/23/354123923.db2.gz DUNOHPVDPSJLHF-WCQGTBRESA-N 2 2 249.362 0.441 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H](O)COCC1CC1 ZINC000344170029 354171541 /nfs/dbraw/zinc/17/15/41/354171541.db2.gz LQCFHGXMCFWUCT-RAIGVLPGSA-N 2 2 242.363 0.314 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H](O)COCC1CC1 ZINC000344170029 354171542 /nfs/dbraw/zinc/17/15/42/354171542.db2.gz LQCFHGXMCFWUCT-RAIGVLPGSA-N 2 2 242.363 0.314 20 0 BCADLP CC[C@@H]([NH3+])CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623179088 354147405 /nfs/dbraw/zinc/14/74/05/354147405.db2.gz WEDXNILOXMAYMK-NXEZZACHSA-N 2 2 236.319 0.299 20 0 BCADLP CCC[N@H+](CCC[NH2+]C)CC(=O)NC ZINC000230895597 363327510 /nfs/dbraw/zinc/32/75/10/363327510.db2.gz FYEVKFACDVIGIX-UHFFFAOYSA-N 2 2 201.314 0.054 20 0 BCADLP CCC[N@@H+](CCC[NH2+]C)CC(=O)NC ZINC000230895597 363327516 /nfs/dbraw/zinc/32/75/16/363327516.db2.gz FYEVKFACDVIGIX-UHFFFAOYSA-N 2 2 201.314 0.054 20 0 BCADLP CC(C)[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000344147601 354154635 /nfs/dbraw/zinc/15/46/35/354154635.db2.gz SVTTXAIIGMZBLZ-UHFFFAOYSA-N 2 2 243.395 0.375 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000449740186 202014498 /nfs/dbraw/zinc/01/44/98/202014498.db2.gz NYQZRCGKXQXRBB-USWWRNFRSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000449740186 202014499 /nfs/dbraw/zinc/01/44/99/202014499.db2.gz NYQZRCGKXQXRBB-USWWRNFRSA-N 2 2 212.337 0.687 20 0 BCADLP Cc1ncc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c(=O)[nH]1 ZINC000344338572 354234374 /nfs/dbraw/zinc/23/43/74/354234374.db2.gz XNBZPVWVFBNBCD-KCJUWKMLSA-N 2 2 236.319 0.530 20 0 BCADLP Cc1ncc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c(=O)[nH]1 ZINC000344338572 354234376 /nfs/dbraw/zinc/23/43/76/354234376.db2.gz XNBZPVWVFBNBCD-KCJUWKMLSA-N 2 2 236.319 0.530 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(C(N)=O)nc1 ZINC000344974359 354386281 /nfs/dbraw/zinc/38/62/81/354386281.db2.gz PBJKLILWLSZTOP-CABZTGNLSA-N 2 2 248.330 0.220 20 0 BCADLP CCC(=O)N1CC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000344773591 354360682 /nfs/dbraw/zinc/36/06/82/354360682.db2.gz LKQFESHJRSODTA-SRVKXCTJSA-N 2 2 239.363 0.537 20 0 BCADLP CCC(=O)N1CC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000344773591 354360687 /nfs/dbraw/zinc/36/06/87/354360687.db2.gz LKQFESHJRSODTA-SRVKXCTJSA-N 2 2 239.363 0.537 20 0 BCADLP O=C1C[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CCCN1 ZINC000639191381 354510493 /nfs/dbraw/zinc/51/04/93/354510493.db2.gz ITYXYCIOORCTDZ-VHSXEESVSA-N 2 2 248.330 0.525 20 0 BCADLP O=C1C[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CCCN1 ZINC000639191381 354510497 /nfs/dbraw/zinc/51/04/97/354510497.db2.gz ITYXYCIOORCTDZ-VHSXEESVSA-N 2 2 248.330 0.525 20 0 BCADLP CC(C)COCC[N@H+](C)[C@H]1CC[NH2+]C1 ZINC000232641331 363377789 /nfs/dbraw/zinc/37/77/89/363377789.db2.gz DWKAUWNXAIFQBA-NSHDSACASA-N 2 2 200.326 0.953 20 0 BCADLP CC(C)COCC[N@@H+](C)[C@H]1CC[NH2+]C1 ZINC000232641331 363377792 /nfs/dbraw/zinc/37/77/92/363377792.db2.gz DWKAUWNXAIFQBA-NSHDSACASA-N 2 2 200.326 0.953 20 0 BCADLP CC(C)COCC[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000232640456 363378581 /nfs/dbraw/zinc/37/85/81/363378581.db2.gz DWKAUWNXAIFQBA-LLVKDONJSA-N 2 2 200.326 0.953 20 0 BCADLP CC(C)COCC[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000232640456 363378584 /nfs/dbraw/zinc/37/85/84/363378584.db2.gz DWKAUWNXAIFQBA-LLVKDONJSA-N 2 2 200.326 0.953 20 0 BCADLP Cc1ccc(CCC[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c[nH+]1 ZINC000345999679 354836257 /nfs/dbraw/zinc/83/62/57/354836257.db2.gz WQNUBHKZXZWDRG-ZIAGYGMSSA-N 3 2 249.358 0.493 20 0 BCADLP OC[C@H]1C[C@@H](F)C[N@@H+]1CCC[NH+]1CCCC1 ZINC000346392181 354908652 /nfs/dbraw/zinc/90/86/52/354908652.db2.gz ZUFHGKSPKIGYPY-VXGBXAGGSA-N 2 2 230.327 0.877 20 0 BCADLP OC[C@H]1C[C@@H](F)C[N@H+]1CCC[NH+]1CCCC1 ZINC000346392181 354908655 /nfs/dbraw/zinc/90/86/55/354908655.db2.gz ZUFHGKSPKIGYPY-VXGBXAGGSA-N 2 2 230.327 0.877 20 0 BCADLP CCOC(=O)C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000366956056 355105579 /nfs/dbraw/zinc/10/55/79/355105579.db2.gz WSZUWYGAFYMOMZ-RYUDHWBXSA-N 2 2 240.347 0.966 20 0 BCADLP CCOC(=O)C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000366956056 355105584 /nfs/dbraw/zinc/10/55/84/355105584.db2.gz WSZUWYGAFYMOMZ-RYUDHWBXSA-N 2 2 240.347 0.966 20 0 BCADLP CCOC(=O)C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000366956056 355105589 /nfs/dbraw/zinc/10/55/89/355105589.db2.gz WSZUWYGAFYMOMZ-RYUDHWBXSA-N 2 2 240.347 0.966 20 0 BCADLP CCOC(=O)C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000366956056 355105591 /nfs/dbraw/zinc/10/55/91/355105591.db2.gz WSZUWYGAFYMOMZ-RYUDHWBXSA-N 2 2 240.347 0.966 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000346813912 355122214 /nfs/dbraw/zinc/12/22/14/355122214.db2.gz BDOYQNOFOJBGIR-JTQLQIEISA-N 2 2 223.324 0.652 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000346813912 355122218 /nfs/dbraw/zinc/12/22/18/355122218.db2.gz BDOYQNOFOJBGIR-JTQLQIEISA-N 2 2 223.324 0.652 20 0 BCADLP COC(=O)[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346831266 355128411 /nfs/dbraw/zinc/12/84/11/355128411.db2.gz KIQVOIDRYSXPLL-WDEREUQCSA-N 2 2 226.320 0.623 20 0 BCADLP COC(=O)[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346831266 355128415 /nfs/dbraw/zinc/12/84/15/355128415.db2.gz KIQVOIDRYSXPLL-WDEREUQCSA-N 2 2 226.320 0.623 20 0 BCADLP COC[C@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000346985521 355186152 /nfs/dbraw/zinc/18/61/52/355186152.db2.gz OXGKBFORRSUULQ-NWDGAFQWSA-N 2 2 228.336 0.333 20 0 BCADLP COC[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000346985521 355186154 /nfs/dbraw/zinc/18/61/54/355186154.db2.gz OXGKBFORRSUULQ-NWDGAFQWSA-N 2 2 228.336 0.333 20 0 BCADLP C[C@@H]1C[N@H+](Cc2ccnc(N(C)C)n2)CC[C@@H]1[NH3+] ZINC000346995657 355193401 /nfs/dbraw/zinc/19/34/01/355193401.db2.gz BRLOHQIOMIOISJ-PWSUYJOCSA-N 2 2 249.362 0.712 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)n2)CC[C@@H]1[NH3+] ZINC000346995657 355193405 /nfs/dbraw/zinc/19/34/05/355193405.db2.gz BRLOHQIOMIOISJ-PWSUYJOCSA-N 2 2 249.362 0.712 20 0 BCADLP COC(=O)c1cc(C[N@H+](C)[C@@H](C)C[NH3+])c[nH]1 ZINC000346996653 355193604 /nfs/dbraw/zinc/19/36/04/355193604.db2.gz CULSVOSQCHINDY-QMMMGPOBSA-N 2 2 225.292 0.580 20 0 BCADLP COC(=O)c1cc(C[N@@H+](C)[C@@H](C)C[NH3+])c[nH]1 ZINC000346996653 355193608 /nfs/dbraw/zinc/19/36/08/355193608.db2.gz CULSVOSQCHINDY-QMMMGPOBSA-N 2 2 225.292 0.580 20 0 BCADLP C[C@H]1C[N@H+](Cc2cnc(N(C)C)nc2)CC[C@H]1[NH3+] ZINC000347003704 355200788 /nfs/dbraw/zinc/20/07/88/355200788.db2.gz LRDPTQROINLHLB-CMPLNLGQSA-N 2 2 249.362 0.712 20 0 BCADLP C[C@H]1C[N@@H+](Cc2cnc(N(C)C)nc2)CC[C@H]1[NH3+] ZINC000347003704 355200790 /nfs/dbraw/zinc/20/07/90/355200790.db2.gz LRDPTQROINLHLB-CMPLNLGQSA-N 2 2 249.362 0.712 20 0 BCADLP OC1CC[NH+](CC[NH2+]CCC[C@@H]2CCO2)CC1 ZINC000639236359 355219346 /nfs/dbraw/zinc/21/93/46/355219346.db2.gz YXRNUXYAILFLLZ-CYBMUJFWSA-N 2 2 242.363 0.602 20 0 BCADLP CO[C@]1(C[NH2+]CCc2cn(C)c[nH+]2)CCOC1 ZINC000639256302 355301219 /nfs/dbraw/zinc/30/12/19/355301219.db2.gz WQOUXKULAAZQEB-LBPRGKRZSA-N 2 2 239.319 0.358 20 0 BCADLP CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000639258785 355304237 /nfs/dbraw/zinc/30/42/37/355304237.db2.gz MYTQSUCQZSOGGI-WHOHXGKFSA-N 2 2 228.336 0.473 20 0 BCADLP CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000639258785 355304240 /nfs/dbraw/zinc/30/42/40/355304240.db2.gz MYTQSUCQZSOGGI-WHOHXGKFSA-N 2 2 228.336 0.473 20 0 BCADLP CSC[C@@H](O)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000584346217 355367537 /nfs/dbraw/zinc/36/75/37/355367537.db2.gz XCQHUOMGXOUQLM-UWVGGRQHSA-N 2 2 229.349 0.585 20 0 BCADLP CO[C@H](C[NH2+]CC1([NH+](C)C)CC1)[C@@H]1CCOC1 ZINC000639271669 355340320 /nfs/dbraw/zinc/34/03/20/355340320.db2.gz PEGIBIZQZZHTGP-VXGBXAGGSA-N 2 2 242.363 0.722 20 0 BCADLP CN1CC[C@H]([N@@H+]2CCC[C@H]([NH+](C)C)CC2)C1=O ZINC000335774903 355399605 /nfs/dbraw/zinc/39/96/05/355399605.db2.gz WDMTUUQIYRXAQF-RYUDHWBXSA-N 2 2 239.363 0.633 20 0 BCADLP CN1CC[C@H]([N@H+]2CCC[C@H]([NH+](C)C)CC2)C1=O ZINC000335774903 355399610 /nfs/dbraw/zinc/39/96/10/355399610.db2.gz WDMTUUQIYRXAQF-RYUDHWBXSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@@H]1CN(C)C[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353241183 355463255 /nfs/dbraw/zinc/46/32/55/355463255.db2.gz LFSHVEIDZABMBQ-GIPNMCIBSA-N 2 2 234.347 0.807 20 0 BCADLP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000414740838 191559252 /nfs/dbraw/zinc/55/92/52/191559252.db2.gz LSDSAVAZUWIYMO-DCAQKATOSA-N 2 2 227.352 0.474 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000349933846 355530453 /nfs/dbraw/zinc/53/04/53/355530453.db2.gz JXRINYUJQQMXDD-LLVKDONJSA-N 2 2 238.335 0.921 20 0 BCADLP [NH2+]=C(NCCn1cc[nH+]c1)NC1CCCC1 ZINC000052047939 181198691 /nfs/dbraw/zinc/19/86/91/181198691.db2.gz HAJXMOUXZUWAJI-UHFFFAOYSA-N 2 2 221.308 0.940 20 0 BCADLP CO[C@@]1(C[N@H+](C)CC2C[NH+](C)C2)CCOC1 ZINC000639310638 355664483 /nfs/dbraw/zinc/66/44/83/355664483.db2.gz UYJCZMGCMLADPI-GFCCVEGCSA-N 2 2 228.336 0.285 20 0 BCADLP CO[C@@]1(C[N@@H+](C)CC2C[NH+](C)C2)CCOC1 ZINC000639310638 355664486 /nfs/dbraw/zinc/66/44/86/355664486.db2.gz UYJCZMGCMLADPI-GFCCVEGCSA-N 2 2 228.336 0.285 20 0 BCADLP CC(C)[C@H](C(=O)NCc1c[nH+]c[nH]1)[NH+](C)C ZINC000350157905 355617553 /nfs/dbraw/zinc/61/75/53/355617553.db2.gz RXOHMTZXTXHFRI-SNVBAGLBSA-N 2 2 224.308 0.612 20 0 BCADLP CC(C)[C@H](C(=O)NCc1c[nH]c[nH+]1)[NH+](C)C ZINC000350157905 355617559 /nfs/dbraw/zinc/61/75/59/355617559.db2.gz RXOHMTZXTXHFRI-SNVBAGLBSA-N 2 2 224.308 0.612 20 0 BCADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)[C@@H]1CC1(F)F ZINC000639356592 355810457 /nfs/dbraw/zinc/81/04/57/355810457.db2.gz DUBUUOBSJKBAOU-GUBZILKMSA-N 2 2 234.290 0.686 20 0 BCADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)[C@@H]1CC1(F)F ZINC000639356592 355810463 /nfs/dbraw/zinc/81/04/63/355810463.db2.gz DUBUUOBSJKBAOU-GUBZILKMSA-N 2 2 234.290 0.686 20 0 BCADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)[C@@H]1CC1(F)F ZINC000639356597 355810786 /nfs/dbraw/zinc/81/07/86/355810786.db2.gz DUBUUOBSJKBAOU-UTLUCORTSA-N 2 2 234.290 0.686 20 0 BCADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)[C@@H]1CC1(F)F ZINC000639356597 355810789 /nfs/dbraw/zinc/81/07/89/355810789.db2.gz DUBUUOBSJKBAOU-UTLUCORTSA-N 2 2 234.290 0.686 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639358204 355811931 /nfs/dbraw/zinc/81/19/31/355811931.db2.gz UXJWXOBNWOXIOQ-RNJOBUHISA-N 2 2 224.348 0.689 20 0 BCADLP O[C@H]1CC[N@@H+](CC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639358204 355811934 /nfs/dbraw/zinc/81/19/34/355811934.db2.gz UXJWXOBNWOXIOQ-RNJOBUHISA-N 2 2 224.348 0.689 20 0 BCADLP COCCC[N@H+](C)CC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000166733722 355834127 /nfs/dbraw/zinc/83/41/27/355834127.db2.gz MZOAIBSBYQZSKP-STQMWFEESA-N 2 2 244.379 0.969 20 0 BCADLP COCCC[N@@H+](C)CC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000166733722 355834131 /nfs/dbraw/zinc/83/41/31/355834131.db2.gz MZOAIBSBYQZSKP-STQMWFEESA-N 2 2 244.379 0.969 20 0 BCADLP NC(=O)C1([NH2+]CCn2cc[nH+]c2)CCCCC1 ZINC000132036462 181214274 /nfs/dbraw/zinc/21/42/74/181214274.db2.gz ANHSVJMTDKUOOB-UHFFFAOYSA-N 2 2 236.319 0.661 20 0 BCADLP CC[NH+]1CCC([NH2+]C[C@@H](O)C(F)(F)F)CC1 ZINC000166810066 355851006 /nfs/dbraw/zinc/85/10/06/355851006.db2.gz MIWXTHNVHGKYGA-SECBINFHSA-N 2 2 240.269 0.984 20 0 BCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn2cccnc2n1 ZINC000216199594 355926372 /nfs/dbraw/zinc/92/63/72/355926372.db2.gz XVVXQKRUCYEDBN-GHMZBOCLSA-N 2 2 245.330 0.898 20 0 BCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn2cccnc2n1 ZINC000216199594 355926374 /nfs/dbraw/zinc/92/63/74/355926374.db2.gz XVVXQKRUCYEDBN-GHMZBOCLSA-N 2 2 245.330 0.898 20 0 BCADLP CCn1c(C)nnc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351480231 355996465 /nfs/dbraw/zinc/99/64/65/355996465.db2.gz UVXFOPNEAGBZSP-SRVKXCTJSA-N 2 2 249.362 0.776 20 0 BCADLP CCn1c(C)nnc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351480231 355996468 /nfs/dbraw/zinc/99/64/68/355996468.db2.gz UVXFOPNEAGBZSP-SRVKXCTJSA-N 2 2 249.362 0.776 20 0 BCADLP C[C@@H]1CC[N@H+](CC(=O)NCc2c[nH+]cn2C)C1 ZINC000583640404 355946030 /nfs/dbraw/zinc/94/60/30/355946030.db2.gz JUHAQBUAOIMUNJ-SNVBAGLBSA-N 2 2 236.319 0.378 20 0 BCADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2c[nH+]cn2C)C1 ZINC000583640404 355946034 /nfs/dbraw/zinc/94/60/34/355946034.db2.gz JUHAQBUAOIMUNJ-SNVBAGLBSA-N 2 2 236.319 0.378 20 0 BCADLP CC[N@H+](CC(=O)N1CC[NH+](CC)CC1)C1CC1 ZINC000351497656 356003950 /nfs/dbraw/zinc/00/39/50/356003950.db2.gz FJEQCPLEXJJWEU-UHFFFAOYSA-N 2 2 239.363 0.635 20 0 BCADLP CC[N@@H+](CC(=O)N1CC[NH+](CC)CC1)C1CC1 ZINC000351497656 356003954 /nfs/dbraw/zinc/00/39/54/356003954.db2.gz FJEQCPLEXJJWEU-UHFFFAOYSA-N 2 2 239.363 0.635 20 0 BCADLP CC1(C)C[NH+](CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623257716 356026999 /nfs/dbraw/zinc/02/69/99/356026999.db2.gz RWZIMWDAFWFTOD-SNVBAGLBSA-N 2 2 248.330 0.266 20 0 BCADLP C[NH2+]CCNC(=O)NCc1c[nH+]c(C)cc1C ZINC000418272153 192010676 /nfs/dbraw/zinc/01/06/76/192010676.db2.gz WZQCFTFYCQIFJX-UHFFFAOYSA-N 2 2 236.319 0.717 20 0 BCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623261567 356148774 /nfs/dbraw/zinc/14/87/74/356148774.db2.gz XHUFNOJRWYXOOV-CMPLNLGQSA-N 2 2 248.330 0.408 20 0 BCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623261567 356148777 /nfs/dbraw/zinc/14/87/77/356148777.db2.gz XHUFNOJRWYXOOV-CMPLNLGQSA-N 2 2 248.330 0.408 20 0 BCADLP CC[N@H+](CC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623263095 356198522 /nfs/dbraw/zinc/19/85/22/356198522.db2.gz BLRJTBFBFVOFIV-SNVBAGLBSA-N 2 2 248.330 0.408 20 0 BCADLP CC[N@@H+](CC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000623263095 356198527 /nfs/dbraw/zinc/19/85/27/356198527.db2.gz BLRJTBFBFVOFIV-SNVBAGLBSA-N 2 2 248.330 0.408 20 0 BCADLP C[C@H]1C[N@H+](CCN(C)C2CC[NH2+]CC2)CCO1 ZINC000420267871 192193163 /nfs/dbraw/zinc/19/31/63/192193163.db2.gz GEISSXQTULAXCV-LBPRGKRZSA-N 2 2 241.379 0.391 20 0 BCADLP C[C@H]1C[N@@H+](CCN(C)C2CC[NH2+]CC2)CCO1 ZINC000420267871 192193165 /nfs/dbraw/zinc/19/31/65/192193165.db2.gz GEISSXQTULAXCV-LBPRGKRZSA-N 2 2 241.379 0.391 20 0 BCADLP Cc1cc(N2CC[NH2+]C[C@@](C)(F)C2)nc[nH+]1 ZINC000420255436 192188167 /nfs/dbraw/zinc/18/81/67/192188167.db2.gz BGAQYMIQEJZYAW-LLVKDONJSA-N 2 2 224.283 0.923 20 0 BCADLP CCOC(=O)CCCC[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000420274005 192197009 /nfs/dbraw/zinc/19/70/09/192197009.db2.gz OJBCGXXVSORNGI-SNVBAGLBSA-N 2 2 214.309 0.753 20 0 BCADLP CCOC(=O)CCCC[N@H+]1CC[C@@H]([NH3+])C1 ZINC000420274005 192197012 /nfs/dbraw/zinc/19/70/12/192197012.db2.gz OJBCGXXVSORNGI-SNVBAGLBSA-N 2 2 214.309 0.753 20 0 BCADLP COC(=O)CC1(C[N@@H+]2CCC[NH2+]CC2)CC1 ZINC000420278878 192198774 /nfs/dbraw/zinc/19/87/74/192198774.db2.gz WLWOIBIGUYQTOW-UHFFFAOYSA-N 2 2 226.320 0.625 20 0 BCADLP COC(=O)CC1(C[N@H+]2CCC[NH2+]CC2)CC1 ZINC000420278878 192198775 /nfs/dbraw/zinc/19/87/75/192198775.db2.gz WLWOIBIGUYQTOW-UHFFFAOYSA-N 2 2 226.320 0.625 20 0 BCADLP CC(C)OC(=O)CC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000420281515 192200200 /nfs/dbraw/zinc/20/02/00/192200200.db2.gz AAAWQFPQSNQJBY-JTQLQIEISA-N 2 2 214.309 0.751 20 0 BCADLP CC(C)OC(=O)CC[N@H+]1CCC[C@H]1C[NH3+] ZINC000420281515 192200203 /nfs/dbraw/zinc/20/02/03/192200203.db2.gz AAAWQFPQSNQJBY-JTQLQIEISA-N 2 2 214.309 0.751 20 0 BCADLP CCOC(=O)CC[N@@H+]1CCC[C@H]1C[NH2+]C ZINC000420289195 192200846 /nfs/dbraw/zinc/20/08/46/192200846.db2.gz JWJYFSYRMVPYMF-JTQLQIEISA-N 2 2 214.309 0.623 20 0 BCADLP CCOC(=O)CC[N@H+]1CCC[C@H]1C[NH2+]C ZINC000420289195 192200848 /nfs/dbraw/zinc/20/08/48/192200848.db2.gz JWJYFSYRMVPYMF-JTQLQIEISA-N 2 2 214.309 0.623 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CCC[C@@H]1C[NH2+]C ZINC000420287551 192200968 /nfs/dbraw/zinc/20/09/68/192200968.db2.gz IEVDNMXDUYJATP-LLVKDONJSA-N 2 2 227.352 0.539 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CCC[C@@H]1C[NH2+]C ZINC000420287551 192200971 /nfs/dbraw/zinc/20/09/71/192200971.db2.gz IEVDNMXDUYJATP-LLVKDONJSA-N 2 2 227.352 0.539 20 0 BCADLP C[C@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH+](C)C ZINC000617758733 356314768 /nfs/dbraw/zinc/31/47/68/356314768.db2.gz VMRGBLKDSHSGGJ-SNVBAGLBSA-N 2 2 238.335 0.799 20 0 BCADLP C[C@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH+](C)C ZINC000617758733 356314770 /nfs/dbraw/zinc/31/47/70/356314770.db2.gz VMRGBLKDSHSGGJ-SNVBAGLBSA-N 2 2 238.335 0.799 20 0 BCADLP C[C@H]1CC[N@H+](CCN2CCCC2=O)[C@H](C[NH3+])C1 ZINC000420332378 192214641 /nfs/dbraw/zinc/21/46/41/192214641.db2.gz JGJBEDGRSXDQIS-RYUDHWBXSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@H]1CC[N@@H+](CCN2CCCC2=O)[C@H](C[NH3+])C1 ZINC000420332378 192214642 /nfs/dbraw/zinc/21/46/42/192214642.db2.gz JGJBEDGRSXDQIS-RYUDHWBXSA-N 2 2 239.363 0.668 20 0 BCADLP CCCCCNC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000420337573 192215467 /nfs/dbraw/zinc/21/54/67/192215467.db2.gz RBYJWDQJSSBVFM-UHFFFAOYSA-N 2 2 227.352 0.714 20 0 BCADLP CCCCCNC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000420337573 192215469 /nfs/dbraw/zinc/21/54/69/192215469.db2.gz RBYJWDQJSSBVFM-UHFFFAOYSA-N 2 2 227.352 0.714 20 0 BCADLP CCCCNC(=O)CC[N@H+](C)CC[NH2+]C ZINC000420340298 192215698 /nfs/dbraw/zinc/21/56/98/192215698.db2.gz RCYUNYCHGMNFOI-UHFFFAOYSA-N 2 2 215.341 0.444 20 0 BCADLP CCCCNC(=O)CC[N@@H+](C)CC[NH2+]C ZINC000420340298 192215700 /nfs/dbraw/zinc/21/57/00/192215700.db2.gz RCYUNYCHGMNFOI-UHFFFAOYSA-N 2 2 215.341 0.444 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCC(=O)NC1CCCC1 ZINC000420354096 192217542 /nfs/dbraw/zinc/21/75/42/192217542.db2.gz OBRSJDATDNTEIS-JQWIXIFHSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCC(=O)NC1CCCC1 ZINC000420354096 192217544 /nfs/dbraw/zinc/21/75/44/192217544.db2.gz OBRSJDATDNTEIS-JQWIXIFHSA-N 2 2 239.363 0.857 20 0 BCADLP NC(=O)[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000182671985 181267750 /nfs/dbraw/zinc/26/77/50/181267750.db2.gz RHUNWIFDVSWFAU-NSHDSACASA-N 2 2 236.319 0.613 20 0 BCADLP C[NH2+]CCCN1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000420366890 192226498 /nfs/dbraw/zinc/22/64/98/192226498.db2.gz VAGJKPMWERHLCX-UHFFFAOYSA-N 2 2 249.362 0.517 20 0 BCADLP NC(=O)[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000183449178 181270466 /nfs/dbraw/zinc/27/04/66/181270466.db2.gz WGMMEJIEIYJACU-SNVBAGLBSA-N 2 2 244.298 0.642 20 0 BCADLP NC(=O)[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000183449178 181270469 /nfs/dbraw/zinc/27/04/69/181270469.db2.gz WGMMEJIEIYJACU-SNVBAGLBSA-N 2 2 244.298 0.642 20 0 BCADLP CCOC(=O)CC1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000420356167 192220149 /nfs/dbraw/zinc/22/01/49/192220149.db2.gz FXQRXIGEJMPIIM-JTQLQIEISA-N 2 2 228.336 0.999 20 0 BCADLP CN(CC1CC1)C(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420358442 192220362 /nfs/dbraw/zinc/22/03/62/192220362.db2.gz ITDAHAHBLSQMBO-LLVKDONJSA-N 2 2 241.379 0.818 20 0 BCADLP CC(C)(C)NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420357744 192220475 /nfs/dbraw/zinc/22/04/75/192220475.db2.gz HPQGWBIWUYKNSJ-VIFPVBQESA-N 2 2 229.368 0.864 20 0 BCADLP CCC[C@H]1C(=O)NCC[N@H+]1CCC[NH2+]C ZINC000420358977 192221417 /nfs/dbraw/zinc/22/14/17/192221417.db2.gz JYSKDKWZHWKQPK-JTQLQIEISA-N 2 2 213.325 0.196 20 0 BCADLP CCC[C@H]1C(=O)NCC[N@@H+]1CCC[NH2+]C ZINC000420358977 192221419 /nfs/dbraw/zinc/22/14/19/192221419.db2.gz JYSKDKWZHWKQPK-JTQLQIEISA-N 2 2 213.325 0.196 20 0 BCADLP CCNC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420362253 192221929 /nfs/dbraw/zinc/22/19/29/192221929.db2.gz IQPSXPFACONUIY-ATZCPNFKSA-N 2 2 213.325 0.099 20 0 BCADLP CC[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(N)=O ZINC000420360505 192223024 /nfs/dbraw/zinc/22/30/24/192223024.db2.gz HHBDAWOXSZSFKH-XFWSIPNHSA-N 2 2 213.325 0.226 20 0 BCADLP CC(C)N(C)C(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420365490 192224435 /nfs/dbraw/zinc/22/44/35/192224435.db2.gz QCQZBBIEUJMXPF-SNVBAGLBSA-N 2 2 229.368 0.816 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000420369616 192225324 /nfs/dbraw/zinc/22/53/24/192225324.db2.gz XVUCAVLSOWESPT-LLVKDONJSA-N 2 2 200.326 0.953 20 0 BCADLP C[NH2+]CCC[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000420369616 192225327 /nfs/dbraw/zinc/22/53/27/192225327.db2.gz XVUCAVLSOWESPT-LLVKDONJSA-N 2 2 200.326 0.953 20 0 BCADLP C[NH2+]CCC[NH2+][C@@](C)(C(N)=O)c1ccccc1 ZINC000420383419 192235230 /nfs/dbraw/zinc/23/52/30/192235230.db2.gz ZQRHJYVSMIQHMO-CYBMUJFWSA-N 2 2 235.331 0.586 20 0 BCADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)N(C)C(C)C ZINC000420388758 192235407 /nfs/dbraw/zinc/23/54/07/192235407.db2.gz MOCDVFGGIRRPKW-LLVKDONJSA-N 2 2 229.368 0.783 20 0 BCADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)N(C)C(C)C ZINC000420388758 192235408 /nfs/dbraw/zinc/23/54/08/192235408.db2.gz MOCDVFGGIRRPKW-LLVKDONJSA-N 2 2 229.368 0.783 20 0 BCADLP CC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000639543620 356402083 /nfs/dbraw/zinc/40/20/83/356402083.db2.gz LJGRGMPLABKOGR-JHJVBQTASA-N 2 2 240.347 0.759 20 0 BCADLP CC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000639543620 356402084 /nfs/dbraw/zinc/40/20/84/356402084.db2.gz LJGRGMPLABKOGR-JHJVBQTASA-N 2 2 240.347 0.759 20 0 BCADLP CCCNC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420373971 192231989 /nfs/dbraw/zinc/23/19/89/192231989.db2.gz RPNPQGFWIYRNAZ-JBLDHEPKSA-N 2 2 227.352 0.489 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000420375334 192232209 /nfs/dbraw/zinc/23/22/09/192232209.db2.gz SURGFAYAFLUZPD-FOGDFJRCSA-N 2 2 222.336 0.896 20 0 BCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC000420379146 192233595 /nfs/dbraw/zinc/23/35/95/192233595.db2.gz XLYZFTRSBOCGEB-NRUUGDAUSA-N 2 2 239.363 0.583 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000639554164 356456700 /nfs/dbraw/zinc/45/67/00/356456700.db2.gz BMMRDZKUEFKNKT-LBPRGKRZSA-N 2 2 248.330 0.269 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000639554164 356456701 /nfs/dbraw/zinc/45/67/01/356456701.db2.gz BMMRDZKUEFKNKT-LBPRGKRZSA-N 2 2 248.330 0.269 20 0 BCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1CCc1c[nH+]cn1C ZINC000639557562 356461831 /nfs/dbraw/zinc/46/18/31/356461831.db2.gz JPFGUINCUYQLDM-RYUDHWBXSA-N 2 2 236.363 0.987 20 0 BCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1CCc1c[nH+]cn1C ZINC000639557562 356461835 /nfs/dbraw/zinc/46/18/35/356461835.db2.gz JPFGUINCUYQLDM-RYUDHWBXSA-N 2 2 236.363 0.987 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)C1CC(O)C1 ZINC000639583349 356506345 /nfs/dbraw/zinc/50/63/45/356506345.db2.gz KKTGLABIOIHRDF-UHFFFAOYSA-N 2 2 209.293 0.418 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)C1CC(O)C1 ZINC000639583349 356506349 /nfs/dbraw/zinc/50/63/49/356506349.db2.gz KKTGLABIOIHRDF-UHFFFAOYSA-N 2 2 209.293 0.418 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000639596919 356516199 /nfs/dbraw/zinc/51/61/99/356516199.db2.gz ZYZQVFRBKAEPNA-GFCCVEGCSA-N 2 2 246.318 0.501 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000639596919 356516204 /nfs/dbraw/zinc/51/62/04/356516204.db2.gz ZYZQVFRBKAEPNA-GFCCVEGCSA-N 2 2 246.318 0.501 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@](F)(CO)C1 ZINC000639628979 356544952 /nfs/dbraw/zinc/54/49/52/356544952.db2.gz SZUPGWLLYQZDPI-NSHDSACASA-N 2 2 227.283 0.369 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@](F)(CO)C1 ZINC000639628979 356544954 /nfs/dbraw/zinc/54/49/54/356544954.db2.gz SZUPGWLLYQZDPI-NSHDSACASA-N 2 2 227.283 0.369 20 0 BCADLP C[N@H+](CCC(=O)Nc1cccnc1)[C@@H]1CC[NH2+]C1 ZINC000578132603 366293894 /nfs/dbraw/zinc/29/38/94/366293894.db2.gz OJHBQNJOXXEAQF-GFCCVEGCSA-N 2 2 248.330 0.704 20 0 BCADLP C[N@@H+](CCC(=O)Nc1cccnc1)[C@@H]1CC[NH2+]C1 ZINC000578132603 366293898 /nfs/dbraw/zinc/29/38/98/366293898.db2.gz OJHBQNJOXXEAQF-GFCCVEGCSA-N 2 2 248.330 0.704 20 0 BCADLP CCc1cc(NC[C@@](C)(O)C[NH+](C)C)nc[nH+]1 ZINC000228669911 491096799 /nfs/dbraw/zinc/09/67/99/491096799.db2.gz UDNIFLURZURTNE-GFCCVEGCSA-N 2 2 238.335 0.764 20 0 BCADLP C[C@H]1C[C@H](CO)C[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639673521 356590891 /nfs/dbraw/zinc/59/08/91/356590891.db2.gz FCZVTTLWSDYTHU-RYUDHWBXSA-N 2 2 237.347 0.913 20 0 BCADLP C[C@H]1C[C@H](CO)C[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639673521 356590896 /nfs/dbraw/zinc/59/08/96/356590896.db2.gz FCZVTTLWSDYTHU-RYUDHWBXSA-N 2 2 237.347 0.913 20 0 BCADLP Cn1c[nH+]cc1CC[NH2+]C(C)(C)C[NH+](C)C ZINC000639668834 356581225 /nfs/dbraw/zinc/58/12/25/356581225.db2.gz MPWXJCLCTXQFIH-UHFFFAOYSA-N 3 2 224.352 0.892 20 0 BCADLP CN(C)CC(C)(C)[NH2+]CCc1c[nH+]cn1C ZINC000639668834 356581228 /nfs/dbraw/zinc/58/12/28/356581228.db2.gz MPWXJCLCTXQFIH-UHFFFAOYSA-N 2 2 224.352 0.892 20 0 BCADLP CC(C)N1CC[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1=O ZINC000422982500 192517141 /nfs/dbraw/zinc/51/71/41/192517141.db2.gz QXLBJYISHKPVAM-TUAOUCFPSA-N 2 2 239.363 0.726 20 0 BCADLP CCc1nn(C)cc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422985344 192518539 /nfs/dbraw/zinc/51/85/39/192518539.db2.gz DGQKOSYDZLVLKL-ZYHUDNBSSA-N 2 2 222.336 0.952 20 0 BCADLP Cc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)on1 ZINC000088287957 356655705 /nfs/dbraw/zinc/65/57/05/356655705.db2.gz CSFJJZQOGZVDEE-NXEZZACHSA-N 2 2 207.277 0.634 20 0 BCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2cccnc2)C1 ZINC000639761004 356675791 /nfs/dbraw/zinc/67/57/91/356675791.db2.gz DPEXRJICMJJTHH-AWEZNQCLSA-N 2 2 249.358 0.970 20 0 BCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2cccnc2)C1 ZINC000639761004 356675793 /nfs/dbraw/zinc/67/57/93/356675793.db2.gz DPEXRJICMJJTHH-AWEZNQCLSA-N 2 2 249.358 0.970 20 0 BCADLP C[C@@H]1CC[N@H+](Cc2nccn2C)C[C@@H]1C[NH3+] ZINC000167658329 134153953 /nfs/dbraw/zinc/15/39/53/134153953.db2.gz MHGFBGAHTRHPMT-MNOVXSKESA-N 2 2 222.336 0.837 20 0 BCADLP C[C@@H]1CC[N@@H+](Cc2nccn2C)C[C@@H]1C[NH3+] ZINC000167658329 134153954 /nfs/dbraw/zinc/15/39/54/134153954.db2.gz MHGFBGAHTRHPMT-MNOVXSKESA-N 2 2 222.336 0.837 20 0 BCADLP Cc1c[nH+]c2cc(C(=O)NCC[NH+](C)C)ccn12 ZINC000582249538 356682852 /nfs/dbraw/zinc/68/28/52/356682852.db2.gz QCOFYYKKRXARHW-UHFFFAOYSA-N 2 2 246.314 0.934 20 0 BCADLP CCC[C@@H](C(=O)OCC)[N@H+](C)CCC[NH3+] ZINC000212238216 356696684 /nfs/dbraw/zinc/69/66/84/356696684.db2.gz MKSKMYDCZZQXSR-JTQLQIEISA-N 2 2 216.325 0.999 20 0 BCADLP CCC[C@@H](C(=O)OCC)[N@@H+](C)CCC[NH3+] ZINC000212238216 356696689 /nfs/dbraw/zinc/69/66/89/356696689.db2.gz MKSKMYDCZZQXSR-JTQLQIEISA-N 2 2 216.325 0.999 20 0 BCADLP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@@H](C)O)C1 ZINC000212248473 356709337 /nfs/dbraw/zinc/70/93/37/356709337.db2.gz BVXJTBWAVOGAIK-MNOVXSKESA-N 2 2 200.326 0.830 20 0 BCADLP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@@H](C)O)C1 ZINC000212248473 356709340 /nfs/dbraw/zinc/70/93/40/356709340.db2.gz BVXJTBWAVOGAIK-MNOVXSKESA-N 2 2 200.326 0.830 20 0 BCADLP C[NH2+]CCCC(=O)NCc1[nH]c[nH+]c1C ZINC000380251146 366363401 /nfs/dbraw/zinc/36/34/01/366363401.db2.gz ZWIZOOLSSOLMLA-UHFFFAOYSA-N 2 2 210.281 0.334 20 0 BCADLP CO[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000639832571 356817903 /nfs/dbraw/zinc/81/79/03/356817903.db2.gz ANUOXTMMGNFFCT-NSHDSACASA-N 2 2 225.292 0.578 20 0 BCADLP CO[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000639832571 356817907 /nfs/dbraw/zinc/81/79/07/356817907.db2.gz ANUOXTMMGNFFCT-NSHDSACASA-N 2 2 225.292 0.578 20 0 BCADLP CO[C@@H]1C[N@H+](CCCn2cc[nH+]c2C)CCO1 ZINC000639832744 356818032 /nfs/dbraw/zinc/81/80/32/356818032.db2.gz CSAYWGUQBRLYCS-LBPRGKRZSA-N 2 2 239.319 0.886 20 0 BCADLP CO[C@@H]1C[N@@H+](CCCn2cc[nH+]c2C)CCO1 ZINC000639832744 356818035 /nfs/dbraw/zinc/81/80/35/356818035.db2.gz CSAYWGUQBRLYCS-LBPRGKRZSA-N 2 2 239.319 0.886 20 0 BCADLP CO[C@@H]1C[N@H+](CCn2cc[nH+]c2C)CCO1 ZINC000639836027 356826822 /nfs/dbraw/zinc/82/68/22/356826822.db2.gz DYTGKQKXQQGISU-NSHDSACASA-N 2 2 225.292 0.496 20 0 BCADLP CO[C@@H]1C[N@@H+](CCn2cc[nH+]c2C)CCO1 ZINC000639836027 356826825 /nfs/dbraw/zinc/82/68/25/356826825.db2.gz DYTGKQKXQQGISU-NSHDSACASA-N 2 2 225.292 0.496 20 0 BCADLP CC[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CCO1 ZINC000623759636 356877895 /nfs/dbraw/zinc/87/78/95/356877895.db2.gz UJEUSZPSEMUVSU-YNEHKIRRSA-N 2 2 242.363 0.600 20 0 BCADLP CC[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)CCO1 ZINC000623759636 356877896 /nfs/dbraw/zinc/87/78/96/356877896.db2.gz UJEUSZPSEMUVSU-YNEHKIRRSA-N 2 2 242.363 0.600 20 0 BCADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cn[nH]n3)CC[C@@H]21 ZINC000450498942 202188029 /nfs/dbraw/zinc/18/80/29/202188029.db2.gz HTMONGKVLBWERT-JQWIXIFHSA-N 2 2 235.335 0.721 20 0 BCADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cn[nH]n3)CC[C@@H]21 ZINC000450498942 202188030 /nfs/dbraw/zinc/18/80/30/202188030.db2.gz HTMONGKVLBWERT-JQWIXIFHSA-N 2 2 235.335 0.721 20 0 BCADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cn[nH]n3)CC[C@@H]21 ZINC000450498942 202188034 /nfs/dbraw/zinc/18/80/34/202188034.db2.gz HTMONGKVLBWERT-JQWIXIFHSA-N 2 2 235.335 0.721 20 0 BCADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cn[nH]n3)CC[C@@H]21 ZINC000450498942 202188038 /nfs/dbraw/zinc/18/80/38/202188038.db2.gz HTMONGKVLBWERT-JQWIXIFHSA-N 2 2 235.335 0.721 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cncnc2)C1 ZINC000353557978 538748508 /nfs/dbraw/zinc/74/85/08/538748508.db2.gz CSFHJCDANGUBMA-LLVKDONJSA-N 2 2 220.320 0.860 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cncnc2)C1 ZINC000353557978 538748513 /nfs/dbraw/zinc/74/85/13/538748513.db2.gz CSFHJCDANGUBMA-LLVKDONJSA-N 2 2 220.320 0.860 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCOC1 ZINC000389611407 357003265 /nfs/dbraw/zinc/00/32/65/357003265.db2.gz BDZGNAZDUBFPQI-WDEREUQCSA-N 2 2 216.325 0.020 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCOC1 ZINC000389611407 357003268 /nfs/dbraw/zinc/00/32/68/357003268.db2.gz BDZGNAZDUBFPQI-WDEREUQCSA-N 2 2 216.325 0.020 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CCOC1 ZINC000389611407 357003270 /nfs/dbraw/zinc/00/32/70/357003270.db2.gz BDZGNAZDUBFPQI-WDEREUQCSA-N 2 2 216.325 0.020 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CCOC1 ZINC000389611407 357003272 /nfs/dbraw/zinc/00/32/72/357003272.db2.gz BDZGNAZDUBFPQI-WDEREUQCSA-N 2 2 216.325 0.020 20 0 BCADLP C[C@@H](C[NH2+]CCC(N)=O)[N@H+](C)Cc1ccccc1 ZINC000390652583 357109219 /nfs/dbraw/zinc/10/92/19/357109219.db2.gz YTEJRPMHZTVCKU-LBPRGKRZSA-N 2 2 249.358 0.972 20 0 BCADLP C[C@@H](C[NH2+]CCC(N)=O)[N@@H+](C)Cc1ccccc1 ZINC000390652583 357109220 /nfs/dbraw/zinc/10/92/20/357109220.db2.gz YTEJRPMHZTVCKU-LBPRGKRZSA-N 2 2 249.358 0.972 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000390419698 357092416 /nfs/dbraw/zinc/09/24/16/357092416.db2.gz JAEYPFWFROBRRP-WDEREUQCSA-N 2 2 227.352 0.442 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000390419698 357092419 /nfs/dbraw/zinc/09/24/19/357092419.db2.gz JAEYPFWFROBRRP-WDEREUQCSA-N 2 2 227.352 0.442 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000390419697 357092490 /nfs/dbraw/zinc/09/24/90/357092490.db2.gz JAEYPFWFROBRRP-QWRGUYRKSA-N 2 2 227.352 0.442 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000390419697 357092491 /nfs/dbraw/zinc/09/24/91/357092491.db2.gz JAEYPFWFROBRRP-QWRGUYRKSA-N 2 2 227.352 0.442 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]1C1CC1 ZINC000582431067 357147842 /nfs/dbraw/zinc/14/78/42/357147842.db2.gz RDRUFBLOLQPGFY-QWHCGFSZSA-N 2 2 242.363 0.410 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]1C1CC1 ZINC000582431067 357147848 /nfs/dbraw/zinc/14/78/48/357147848.db2.gz RDRUFBLOLQPGFY-QWHCGFSZSA-N 2 2 242.363 0.410 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]1C1CC1 ZINC000582431067 357147852 /nfs/dbraw/zinc/14/78/52/357147852.db2.gz RDRUFBLOLQPGFY-QWHCGFSZSA-N 2 2 242.363 0.410 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]1C1CC1 ZINC000582431067 357147856 /nfs/dbraw/zinc/14/78/56/357147856.db2.gz RDRUFBLOLQPGFY-QWHCGFSZSA-N 2 2 242.363 0.410 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H](C)C[S@@](C)=O)n1C ZINC000582675806 357361446 /nfs/dbraw/zinc/36/14/46/357361446.db2.gz ACZYXYINNXXVKJ-ANRSDYALSA-N 2 2 229.349 0.585 20 0 BCADLP c1ncc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000157714396 538838053 /nfs/dbraw/zinc/83/80/53/538838053.db2.gz YCJKCUQQHDNOPA-IUCAKERBSA-N 2 2 209.318 0.794 20 0 BCADLP C[NH2+][C@@H](C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000582914734 357435532 /nfs/dbraw/zinc/43/55/32/357435532.db2.gz IQVNOKPTHZMVOT-JTQLQIEISA-N 2 2 221.304 0.923 20 0 BCADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)[C@H](C)O ZINC000582960837 357439379 /nfs/dbraw/zinc/43/93/79/357439379.db2.gz VULRFJHBIKWUGL-UTLUCORTSA-N 2 2 209.293 0.557 20 0 BCADLP CC(C)(CC[NH3+])NC(=O)CCn1cc[nH+]c1 ZINC000397120795 357504282 /nfs/dbraw/zinc/50/42/82/357504282.db2.gz MQRBYXPEIUZRES-UHFFFAOYSA-N 2 2 224.308 0.517 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1scnc1C ZINC000582970364 357448191 /nfs/dbraw/zinc/44/81/91/357448191.db2.gz NHPQYKRGHHBPGS-NSHDSACASA-N 2 2 243.376 0.854 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1scnc1C ZINC000582970364 357448195 /nfs/dbraw/zinc/44/81/95/357448195.db2.gz NHPQYKRGHHBPGS-NSHDSACASA-N 2 2 243.376 0.854 20 0 BCADLP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1COC(C)(C)C1 ZINC000396472581 357481414 /nfs/dbraw/zinc/48/14/14/357481414.db2.gz PNMNWUDKZZDPSV-ZJUUUORDSA-N 2 2 216.325 0.066 20 0 BCADLP C[C@@H]1C[C@H](C)[N@H+](Cc2ncnn2C)C[C@H]1C[NH3+] ZINC000397340881 357512683 /nfs/dbraw/zinc/51/26/83/357512683.db2.gz AVSIDOVHZJHBAN-OUAUKWLOSA-N 2 2 237.351 0.620 20 0 BCADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2ncnn2C)C[C@H]1C[NH3+] ZINC000397340881 357512689 /nfs/dbraw/zinc/51/26/89/357512689.db2.gz AVSIDOVHZJHBAN-OUAUKWLOSA-N 2 2 237.351 0.620 20 0 BCADLP C[NH2+]Cc1noc([C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000583203844 357519160 /nfs/dbraw/zinc/51/91/60/357519160.db2.gz WMXLVMSPTAXZPT-HTQZYQBOSA-N 2 2 210.281 0.774 20 0 BCADLP C[C@@H](CC(=O)N(C)[C@@H]1CC[NH2+]C1)n1cc[nH+]c1 ZINC000583211136 357542539 /nfs/dbraw/zinc/54/25/39/357542539.db2.gz ORYCQQFSAZICNS-WDEREUQCSA-N 2 2 236.319 0.655 20 0 BCADLP CCN(C)C(=O)[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000188495560 357555943 /nfs/dbraw/zinc/55/59/43/357555943.db2.gz TZQJPJUBQTUTEQ-JTQLQIEISA-N 2 2 227.352 0.537 20 0 BCADLP CCN(C)C(=O)[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000188495537 357556513 /nfs/dbraw/zinc/55/65/13/357556513.db2.gz TZQJPJUBQTUTEQ-SNVBAGLBSA-N 2 2 227.352 0.537 20 0 BCADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[NH+](C)CC1 ZINC000351511741 535360473 /nfs/dbraw/zinc/36/04/73/535360473.db2.gz CPKMWMBSPGBYKP-GFCCVEGCSA-N 2 2 241.379 0.927 20 0 BCADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](CCC[NH3+])COC ZINC000233492660 357725731 /nfs/dbraw/zinc/72/57/31/357725731.db2.gz DHMDNWKGVBRSMD-STQMWFEESA-N 3 2 243.395 0.814 20 0 BCADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](CCC[NH3+])COC ZINC000233492660 357725732 /nfs/dbraw/zinc/72/57/32/357725732.db2.gz DHMDNWKGVBRSMD-STQMWFEESA-N 3 2 243.395 0.814 20 0 BCADLP CC[NH+]1CCN(CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000191406353 357769462 /nfs/dbraw/zinc/76/94/62/357769462.db2.gz KVJBICWWXKBZEY-ZDUSSCGKSA-N 2 2 241.379 0.345 20 0 BCADLP CC[NH+]1CCN(CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000191406353 357769465 /nfs/dbraw/zinc/76/94/65/357769465.db2.gz KVJBICWWXKBZEY-ZDUSSCGKSA-N 2 2 241.379 0.345 20 0 BCADLP COC[C@H](CCC[NH3+])[NH2+]CC[NH+]1CCCCC1 ZINC000234784251 357828690 /nfs/dbraw/zinc/82/86/90/357828690.db2.gz AWCRQHVSGUKFDQ-ZDUSSCGKSA-N 3 2 243.395 0.816 20 0 BCADLP C[C@H]1C[C@@H](C(=O)NCCn2cc[nH+]c2)CC[NH2+]1 ZINC000235690880 357928100 /nfs/dbraw/zinc/92/81/00/357928100.db2.gz USNBFHGGSIYBFG-QWRGUYRKSA-N 2 2 236.319 0.387 20 0 BCADLP C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)[C@H](CO)C1 ZINC000639937536 357939915 /nfs/dbraw/zinc/93/99/15/357939915.db2.gz RPCXJWRLNWKEJM-NEPJUHHUSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@H](CO)C1 ZINC000639937536 357939917 /nfs/dbraw/zinc/93/99/17/357939917.db2.gz RPCXJWRLNWKEJM-NEPJUHHUSA-N 2 2 223.320 0.976 20 0 BCADLP COC[C@@](C)(O)CC[NH2+]Cc1c[nH+]c(C)n1C ZINC000583824006 357958797 /nfs/dbraw/zinc/95/87/97/357958797.db2.gz PNMQNTXDQFXIPO-LBPRGKRZSA-N 2 2 241.335 0.606 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)NCC1CC[NH2+]CC1 ZINC000584457724 357974743 /nfs/dbraw/zinc/97/47/43/357974743.db2.gz YKQNNTURUFJUTK-UHFFFAOYSA-N 2 2 248.330 0.933 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000584474738 357991310 /nfs/dbraw/zinc/99/13/10/357991310.db2.gz GBPYAAJUKMBKNV-JQWIXIFHSA-N 2 2 230.352 0.456 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000584474738 357991313 /nfs/dbraw/zinc/99/13/13/357991313.db2.gz GBPYAAJUKMBKNV-JQWIXIFHSA-N 2 2 230.352 0.456 20 0 BCADLP COC(=O)CCC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000168934962 134249100 /nfs/dbraw/zinc/24/91/00/134249100.db2.gz VIRYZFIBQTZWOM-VIFPVBQESA-N 2 2 200.282 0.363 20 0 BCADLP COC(=O)CCC[N@H+]1CCC[C@H]1C[NH3+] ZINC000168934962 134249101 /nfs/dbraw/zinc/24/91/01/134249101.db2.gz VIRYZFIBQTZWOM-VIFPVBQESA-N 2 2 200.282 0.363 20 0 BCADLP CC(C)[NH2+]CCC(=O)NCCCn1cc[nH+]c1 ZINC000037618285 358084137 /nfs/dbraw/zinc/08/41/37/358084137.db2.gz DULVXDAHCZBOMZ-UHFFFAOYSA-N 2 2 238.335 0.778 20 0 BCADLP O=C(CCn1cc[nH+]c1)NCC1=CC[NH2+]CC1 ZINC000169289029 134250423 /nfs/dbraw/zinc/25/04/23/134250423.db2.gz SCHHPZIFUHQOMM-UHFFFAOYSA-N 2 2 234.303 0.309 20 0 BCADLP C[NH2+]CCNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000584721655 358162245 /nfs/dbraw/zinc/16/22/45/358162245.db2.gz PIQYCKNPFHUZEG-SNVBAGLBSA-N 2 2 243.257 0.300 20 0 BCADLP O[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCn1cc[nH+]c1)C2 ZINC000640076626 358173491 /nfs/dbraw/zinc/17/34/91/358173491.db2.gz KUWWWSCPPBWWAB-WOPDTQHZSA-N 2 2 221.304 0.728 20 0 BCADLP O[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCn1cc[nH+]c1)C2 ZINC000640076626 358173493 /nfs/dbraw/zinc/17/34/93/358173493.db2.gz KUWWWSCPPBWWAB-WOPDTQHZSA-N 2 2 221.304 0.728 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000584873090 358207797 /nfs/dbraw/zinc/20/77/97/358207797.db2.gz JWXOZXJSZGIIGA-NWDGAFQWSA-N 2 2 248.330 0.626 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000584873090 358207801 /nfs/dbraw/zinc/20/78/01/358207801.db2.gz JWXOZXJSZGIIGA-NWDGAFQWSA-N 2 2 248.330 0.626 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000584873093 358208154 /nfs/dbraw/zinc/20/81/54/358208154.db2.gz JWXOZXJSZGIIGA-VXGBXAGGSA-N 2 2 248.330 0.626 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000584873093 358208157 /nfs/dbraw/zinc/20/81/57/358208157.db2.gz JWXOZXJSZGIIGA-VXGBXAGGSA-N 2 2 248.330 0.626 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040468570 358236990 /nfs/dbraw/zinc/23/69/90/358236990.db2.gz HXAQZWWBHOHGNJ-SNVBAGLBSA-N 2 2 238.335 0.752 20 0 BCADLP CC(C)[NH2+]CCC(=O)NCCn1cc[nH+]c1 ZINC000041051052 358241628 /nfs/dbraw/zinc/24/16/28/358241628.db2.gz QGYVGTMRXXNTGK-UHFFFAOYSA-N 2 2 224.308 0.387 20 0 BCADLP CCOC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000226049233 358333310 /nfs/dbraw/zinc/33/33/10/358333310.db2.gz MPCZQBGWZNPUAQ-MNOVXSKESA-N 2 2 216.325 0.068 20 0 BCADLP CCOC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000226049233 358333312 /nfs/dbraw/zinc/33/33/12/358333312.db2.gz MPCZQBGWZNPUAQ-MNOVXSKESA-N 2 2 216.325 0.068 20 0 BCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000219024175 134273627 /nfs/dbraw/zinc/27/36/27/134273627.db2.gz XXEZYIQFSVXGBX-NEPJUHHUSA-N 2 2 241.379 0.818 20 0 BCADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000219024175 134273628 /nfs/dbraw/zinc/27/36/28/134273628.db2.gz XXEZYIQFSVXGBX-NEPJUHHUSA-N 2 2 241.379 0.818 20 0 BCADLP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000613660471 363605538 /nfs/dbraw/zinc/60/55/38/363605538.db2.gz LHFIKJNCKIYZST-GHMZBOCLSA-N 2 2 236.319 0.482 20 0 BCADLP CC(C)OC[C@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000042541272 358351242 /nfs/dbraw/zinc/35/12/42/358351242.db2.gz DRHVAYWXRHJJAE-LLVKDONJSA-N 2 2 227.308 0.259 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000227259376 358353180 /nfs/dbraw/zinc/35/31/80/358353180.db2.gz LMMMNFOYMLJAEN-GARJFASQSA-N 2 2 227.352 0.713 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000227259376 358353183 /nfs/dbraw/zinc/35/31/83/358353183.db2.gz LMMMNFOYMLJAEN-GARJFASQSA-N 2 2 227.352 0.713 20 0 BCADLP C([NH2+]C(C1CC1)C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000043802820 358387074 /nfs/dbraw/zinc/38/70/74/358387074.db2.gz SOWILBRUEPTHFG-NSHDSACASA-N 2 2 210.321 0.753 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]Cc2cnnn2C)CC[N@@H+]1C ZINC000129782547 358595997 /nfs/dbraw/zinc/59/59/97/358595997.db2.gz GPGTXWAAEWTDSB-NXEZZACHSA-N 2 2 223.324 0.387 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]Cc2cnnn2C)CC[N@H+]1C ZINC000129782547 358596000 /nfs/dbraw/zinc/59/60/00/358596000.db2.gz GPGTXWAAEWTDSB-NXEZZACHSA-N 2 2 223.324 0.387 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)CC[N@@H+]1C ZINC000129783200 358596115 /nfs/dbraw/zinc/59/61/15/358596115.db2.gz GPGTXWAAEWTDSB-UWVGGRQHSA-N 2 2 223.324 0.387 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)CC[N@H+]1C ZINC000129783200 358596120 /nfs/dbraw/zinc/59/61/20/358596120.db2.gz GPGTXWAAEWTDSB-UWVGGRQHSA-N 2 2 223.324 0.387 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)[C@@H]1CCOC1 ZINC000130818525 358648179 /nfs/dbraw/zinc/64/81/79/358648179.db2.gz VMZDGVYMYKODQZ-YNEHKIRRSA-N 2 2 241.379 0.247 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)[C@@H]1CCOC1 ZINC000130818525 358648182 /nfs/dbraw/zinc/64/81/82/358648182.db2.gz VMZDGVYMYKODQZ-YNEHKIRRSA-N 2 2 241.379 0.247 20 0 BCADLP CCC[C@@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000134356506 358787883 /nfs/dbraw/zinc/78/78/83/358787883.db2.gz IWLVOEJRFWFQMF-LLVKDONJSA-N 2 2 240.351 0.737 20 0 BCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CC[NH2+]1 ZINC000578235437 366465702 /nfs/dbraw/zinc/46/57/02/366465702.db2.gz DHIFETLVKMBTCU-SNVBAGLBSA-N 2 2 222.292 0.094 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)CO ZINC000308686557 491137792 /nfs/dbraw/zinc/13/77/92/491137792.db2.gz ZSUMOJDQSNVIRH-ZJUUUORDSA-N 2 2 200.326 0.545 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)CO ZINC000308686557 491137793 /nfs/dbraw/zinc/13/77/93/491137793.db2.gz ZSUMOJDQSNVIRH-ZJUUUORDSA-N 2 2 200.326 0.545 20 0 BCADLP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000086402729 358966815 /nfs/dbraw/zinc/96/68/15/358966815.db2.gz OATUVQZPPOPFEH-ZYHUDNBSSA-N 3 2 211.353 0.940 20 0 BCADLP OCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000177720351 134301728 /nfs/dbraw/zinc/30/17/28/134301728.db2.gz VEVRDAFQDCUDCF-LBPRGKRZSA-N 2 2 228.336 0.023 20 0 BCADLP OCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000177720351 134301729 /nfs/dbraw/zinc/30/17/29/134301729.db2.gz VEVRDAFQDCUDCF-LBPRGKRZSA-N 2 2 228.336 0.023 20 0 BCADLP COCCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000069717978 359033020 /nfs/dbraw/zinc/03/30/20/359033020.db2.gz WOFXUYAVSCRBJG-UHFFFAOYSA-N 2 2 226.324 0.612 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]CCn2cccn2)n1C ZINC000070143844 359042972 /nfs/dbraw/zinc/04/29/72/359042972.db2.gz BUGQEKUERQREEU-UHFFFAOYSA-N 2 2 248.334 0.472 20 0 BCADLP CN1CC[C@H]([N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000246818784 359167262 /nfs/dbraw/zinc/16/72/62/359167262.db2.gz BVGMTMBDLPCJPS-QWRGUYRKSA-N 2 2 225.336 0.101 20 0 BCADLP CN1CC[C@H]([N@H+]2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000246818784 359167265 /nfs/dbraw/zinc/16/72/65/359167265.db2.gz BVGMTMBDLPCJPS-QWRGUYRKSA-N 2 2 225.336 0.101 20 0 BCADLP CCNC(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075861019 359230594 /nfs/dbraw/zinc/23/05/94/359230594.db2.gz SSELNFHUYCENFZ-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP CCNC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075861019 359230597 /nfs/dbraw/zinc/23/05/97/359230597.db2.gz SSELNFHUYCENFZ-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP CCNC(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000075861019 359230600 /nfs/dbraw/zinc/23/06/00/359230600.db2.gz SSELNFHUYCENFZ-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP CCNC(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000075861019 359230603 /nfs/dbraw/zinc/23/06/03/359230603.db2.gz SSELNFHUYCENFZ-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248043619 359253449 /nfs/dbraw/zinc/25/34/49/359253449.db2.gz ULDMNNWKLXQXPJ-TUAOUCFPSA-N 2 2 240.347 0.964 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248043619 359253453 /nfs/dbraw/zinc/25/34/53/359253453.db2.gz ULDMNNWKLXQXPJ-TUAOUCFPSA-N 2 2 240.347 0.964 20 0 BCADLP COC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248043619 359253459 /nfs/dbraw/zinc/25/34/59/359253459.db2.gz ULDMNNWKLXQXPJ-TUAOUCFPSA-N 2 2 240.347 0.964 20 0 BCADLP COC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248043619 359253464 /nfs/dbraw/zinc/25/34/64/359253464.db2.gz ULDMNNWKLXQXPJ-TUAOUCFPSA-N 2 2 240.347 0.964 20 0 BCADLP CC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000248164420 359257365 /nfs/dbraw/zinc/25/73/65/359257365.db2.gz YYIQHTRSHWEAQV-UHFFFAOYSA-N 2 2 208.309 0.558 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000379578173 359552612 /nfs/dbraw/zinc/55/26/12/359552612.db2.gz STHHAOBEGMGBHL-GARJFASQSA-N 2 2 200.326 0.951 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000379578174 359552663 /nfs/dbraw/zinc/55/26/63/359552663.db2.gz STHHAOBEGMGBHL-OUAUKWLOSA-N 2 2 200.326 0.951 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000379578171 359552745 /nfs/dbraw/zinc/55/27/45/359552745.db2.gz STHHAOBEGMGBHL-DCAQKATOSA-N 2 2 200.326 0.951 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000580465516 359569534 /nfs/dbraw/zinc/56/95/34/359569534.db2.gz LSVGODMKLVVNQG-UHFFFAOYSA-N 2 2 225.336 0.278 20 0 BCADLP CN(C)C(=O)C[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000580465516 359569538 /nfs/dbraw/zinc/56/95/38/359569538.db2.gz LSVGODMKLVVNQG-UHFFFAOYSA-N 2 2 225.336 0.278 20 0 BCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC000580480981 359577362 /nfs/dbraw/zinc/57/73/62/359577362.db2.gz XCXZUGJEZOXFOK-RYUDHWBXSA-N 2 2 248.330 0.436 20 0 BCADLP C[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC000580480981 359577367 /nfs/dbraw/zinc/57/73/67/359577367.db2.gz XCXZUGJEZOXFOK-RYUDHWBXSA-N 2 2 248.330 0.436 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCCOC1 ZINC000352116466 366549673 /nfs/dbraw/zinc/54/96/73/366549673.db2.gz WOLALCPCUHPFEN-CHWSQXEVSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCCOC1 ZINC000352116466 366549675 /nfs/dbraw/zinc/54/96/75/366549675.db2.gz WOLALCPCUHPFEN-CHWSQXEVSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+](C)[C@@H]1CCCOC1)C1CC1 ZINC000352116466 366549676 /nfs/dbraw/zinc/54/96/76/366549676.db2.gz WOLALCPCUHPFEN-CHWSQXEVSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+](C)[C@@H]1CCCOC1)C1CC1 ZINC000352116466 366549679 /nfs/dbraw/zinc/54/96/79/366549679.db2.gz WOLALCPCUHPFEN-CHWSQXEVSA-N 2 2 242.363 0.552 20 0 BCADLP Cc1cccc(N2CC[N@@H+](CCO)C[C@@H]2C)[nH+]1 ZINC000450950604 202319226 /nfs/dbraw/zinc/31/92/26/202319226.db2.gz DIXGMMJZCFZXRP-LBPRGKRZSA-N 2 2 235.331 0.893 20 0 BCADLP Cc1cccc(N2CC[N@H+](CCO)C[C@@H]2C)[nH+]1 ZINC000450950604 202319228 /nfs/dbraw/zinc/31/92/28/202319228.db2.gz DIXGMMJZCFZXRP-LBPRGKRZSA-N 2 2 235.331 0.893 20 0 BCADLP Cc1cccc(N2CC[N@@H+](CCO)C[C@H]2C)[nH+]1 ZINC000450950603 202319462 /nfs/dbraw/zinc/31/94/62/202319462.db2.gz DIXGMMJZCFZXRP-GFCCVEGCSA-N 2 2 235.331 0.893 20 0 BCADLP Cc1cccc(N2CC[N@H+](CCO)C[C@H]2C)[nH+]1 ZINC000450950603 202319465 /nfs/dbraw/zinc/31/94/65/202319465.db2.gz DIXGMMJZCFZXRP-GFCCVEGCSA-N 2 2 235.331 0.893 20 0 BCADLP Cc1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)ccn1 ZINC000623470852 359826251 /nfs/dbraw/zinc/82/62/51/359826251.db2.gz FSLJMSJSTMZLEN-ZDUSSCGKSA-N 2 2 237.347 0.792 20 0 BCADLP CC(C)[C@@H](NC(=O)[C@H](C)C[NH3+])c1[nH]cc[nH+]1 ZINC000578441246 366568079 /nfs/dbraw/zinc/56/80/79/366568079.db2.gz ICVWKKGDVLVOGR-RKDXNWHRSA-N 2 2 224.308 0.818 20 0 BCADLP CC(C)[C@H](NC(=O)[C@@H](C)C[NH3+])c1[nH]cc[nH+]1 ZINC000578441245 366568554 /nfs/dbraw/zinc/56/85/54/366568554.db2.gz ICVWKKGDVLVOGR-IUCAKERBSA-N 2 2 224.308 0.818 20 0 BCADLP FC(F)(F)COCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088372926 359949809 /nfs/dbraw/zinc/94/98/09/359949809.db2.gz XVIJRQNNJIVRBR-DTORHVGOSA-N 2 2 238.253 0.717 20 0 BCADLP FC(F)(F)COCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088372926 359949811 /nfs/dbraw/zinc/94/98/11/359949811.db2.gz XVIJRQNNJIVRBR-DTORHVGOSA-N 2 2 238.253 0.717 20 0 BCADLP CC[NH2+]CC1CC[NH+](Cc2ncnn2C)CC1 ZINC000088580280 359967103 /nfs/dbraw/zinc/96/71/03/359967103.db2.gz PNCXWYNFMIYQPG-UHFFFAOYSA-N 2 2 237.351 0.637 20 0 BCADLP [NH3+]CC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000237994430 360349173 /nfs/dbraw/zinc/34/91/73/360349173.db2.gz ADBMHQQGNYEKJY-UHFFFAOYSA-N 2 2 249.314 0.416 20 0 BCADLP CCC[C@H](C(=O)OCC)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000096593479 360350083 /nfs/dbraw/zinc/35/00/83/360350083.db2.gz HNUSUMIGNKVGOA-GRYCIOLGSA-N 2 2 240.347 0.869 20 0 BCADLP CCC[C@H](C(=O)OCC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000096593479 360350087 /nfs/dbraw/zinc/35/00/87/360350087.db2.gz HNUSUMIGNKVGOA-GRYCIOLGSA-N 2 2 240.347 0.869 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309458107 491148580 /nfs/dbraw/zinc/14/85/80/491148580.db2.gz NBTINQHPAKAHMJ-JHJVBQTASA-N 3 2 223.364 0.622 20 0 BCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309458107 491148581 /nfs/dbraw/zinc/14/85/81/491148581.db2.gz NBTINQHPAKAHMJ-JHJVBQTASA-N 3 2 223.364 0.622 20 0 BCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309458109 491148588 /nfs/dbraw/zinc/14/85/88/491148588.db2.gz NBTINQHPAKAHMJ-XQQFMLRXSA-N 3 2 223.364 0.622 20 0 BCADLP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309458109 491148589 /nfs/dbraw/zinc/14/85/89/491148589.db2.gz NBTINQHPAKAHMJ-XQQFMLRXSA-N 3 2 223.364 0.622 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309458109 491148590 /nfs/dbraw/zinc/14/85/90/491148590.db2.gz NBTINQHPAKAHMJ-XQQFMLRXSA-N 3 2 223.364 0.622 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309458109 491148591 /nfs/dbraw/zinc/14/85/91/491148591.db2.gz NBTINQHPAKAHMJ-XQQFMLRXSA-N 3 2 223.364 0.622 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC[N@H+]1C ZINC000628647969 360594866 /nfs/dbraw/zinc/59/48/66/360594866.db2.gz UEOPJXCUKQUHGC-SNVBAGLBSA-N 2 2 236.319 0.471 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000628647969 360594870 /nfs/dbraw/zinc/59/48/70/360594870.db2.gz UEOPJXCUKQUHGC-SNVBAGLBSA-N 2 2 236.319 0.471 20 0 BCADLP COC[C@H](O)C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000309629654 491153166 /nfs/dbraw/zinc/15/31/66/491153166.db2.gz HIMSFTNFVBYTQX-NWDGAFQWSA-N 2 2 230.352 0.456 20 0 BCADLP COC[C@H](O)C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000309629654 491153167 /nfs/dbraw/zinc/15/31/67/491153167.db2.gz HIMSFTNFVBYTQX-NWDGAFQWSA-N 2 2 230.352 0.456 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCOCCC[NH3+])C[N@@H+]1C1CC1 ZINC000629401591 361051907 /nfs/dbraw/zinc/05/19/07/361051907.db2.gz TXFQOLYWJWRCEJ-RYUDHWBXSA-N 3 2 241.379 0.567 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCOCCC[NH3+])C[N@H+]1C1CC1 ZINC000629401591 361051909 /nfs/dbraw/zinc/05/19/09/361051909.db2.gz TXFQOLYWJWRCEJ-RYUDHWBXSA-N 3 2 241.379 0.567 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCOCCC[NH3+])C[N@@H+]1C1CC1 ZINC000629401590 361052127 /nfs/dbraw/zinc/05/21/27/361052127.db2.gz TXFQOLYWJWRCEJ-NWDGAFQWSA-N 3 2 241.379 0.567 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCOCCC[NH3+])C[N@H+]1C1CC1 ZINC000629401590 361052129 /nfs/dbraw/zinc/05/21/29/361052129.db2.gz TXFQOLYWJWRCEJ-NWDGAFQWSA-N 3 2 241.379 0.567 20 0 BCADLP c1[nH]nc(-c2cccnc2)c1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000629408586 361059604 /nfs/dbraw/zinc/05/96/04/361059604.db2.gz SLBAMDLOIBRGAF-GFCCVEGCSA-N 2 2 243.314 0.923 20 0 BCADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)N(C)C ZINC000424284632 200899441 /nfs/dbraw/zinc/89/94/41/200899441.db2.gz DKMMGYXPKZETBZ-IVZWLZJFSA-N 2 2 213.325 0.323 20 0 BCADLP COc1cncc(C[NH+]2CCC([NH3+])CC2)n1 ZINC000629508904 361102190 /nfs/dbraw/zinc/10/21/90/361102190.db2.gz GDBJTEJDKRFSOW-UHFFFAOYSA-N 2 2 222.292 0.408 20 0 BCADLP COc1cncc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)n1 ZINC000629509712 361103436 /nfs/dbraw/zinc/10/34/36/361103436.db2.gz IODJJCALZXRDIR-MWLCHTKSSA-N 2 2 236.319 0.654 20 0 BCADLP COc1cncc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)n1 ZINC000629509712 361103439 /nfs/dbraw/zinc/10/34/39/361103439.db2.gz IODJJCALZXRDIR-MWLCHTKSSA-N 2 2 236.319 0.654 20 0 BCADLP COc1cncc(C[N@@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000629511684 361105809 /nfs/dbraw/zinc/10/58/09/361105809.db2.gz MJTBHNMIEHTPMO-SECBINFHSA-N 2 2 222.292 0.266 20 0 BCADLP COc1cncc(C[N@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000629511684 361105812 /nfs/dbraw/zinc/10/58/12/361105812.db2.gz MJTBHNMIEHTPMO-SECBINFHSA-N 2 2 222.292 0.266 20 0 BCADLP COc1cncc(C[NH2+][C@](C)(C[NH3+])C2CC2)n1 ZINC000629512442 361107160 /nfs/dbraw/zinc/10/71/60/361107160.db2.gz AILOUEZOOLPEPH-GFCCVEGCSA-N 2 2 236.319 0.702 20 0 BCADLP C[NH2+][C@H]1CCC[N@H+](CCOC2CCOCC2)C1 ZINC000629510711 361108663 /nfs/dbraw/zinc/10/86/63/361108663.db2.gz DWAWEVYIIZZOKB-LBPRGKRZSA-N 2 2 242.363 0.866 20 0 BCADLP C[NH2+][C@H]1CCC[N@@H+](CCOC2CCOCC2)C1 ZINC000629510711 361108665 /nfs/dbraw/zinc/10/86/65/361108665.db2.gz DWAWEVYIIZZOKB-LBPRGKRZSA-N 2 2 242.363 0.866 20 0 BCADLP COc1cncc(C[NH2+]CC2([NH3+])CCC2)n1 ZINC000629518167 361113749 /nfs/dbraw/zinc/11/37/49/361113749.db2.gz DZIICCWYCWBQHI-UHFFFAOYSA-N 2 2 222.292 0.456 20 0 BCADLP CC1([NH3+])CC[NH+](Cc2cccnc2N)CC1 ZINC000629527369 361129392 /nfs/dbraw/zinc/12/93/92/361129392.db2.gz TUFOTWFMOFXCNI-UHFFFAOYSA-N 2 2 220.320 0.977 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000629528334 361131584 /nfs/dbraw/zinc/13/15/84/361131584.db2.gz WLAHHORDXHYWDE-GRYCIOLGSA-N 3 2 211.353 0.859 20 0 BCADLP CC(C)(C)CNC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000629530425 361144647 /nfs/dbraw/zinc/14/46/47/361144647.db2.gz GRCJFLZMVISKOF-ZDUSSCGKSA-N 2 2 241.379 0.819 20 0 BCADLP CC(C)(C)CNC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000629530425 361144652 /nfs/dbraw/zinc/14/46/52/361144652.db2.gz GRCJFLZMVISKOF-ZDUSSCGKSA-N 2 2 241.379 0.819 20 0 BCADLP C[NH2+]CCOCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000629531445 361148684 /nfs/dbraw/zinc/14/86/84/361148684.db2.gz LEZNMITWLLIEMH-NWDGAFQWSA-N 3 2 229.368 0.343 20 0 BCADLP [NH3+]CC(F)(F)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000574998216 361222992 /nfs/dbraw/zinc/22/29/92/361222992.db2.gz NCBLJCNIRCSTCB-UHFFFAOYSA-N 2 2 232.234 0.053 20 0 BCADLP C[C@@H](CC(=O)NC(C)(C)C[NH3+])n1cc[nH+]c1 ZINC000578997420 366689406 /nfs/dbraw/zinc/68/94/06/366689406.db2.gz NIAMSLZVEBNSFM-VIFPVBQESA-N 2 2 224.308 0.688 20 0 BCADLP CCC[C@@H](C)CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000579004785 366692820 /nfs/dbraw/zinc/69/28/20/366692820.db2.gz PEKZCIMLRYNKOY-VXGBXAGGSA-N 2 2 241.379 0.914 20 0 BCADLP CCC[C@@H](C)CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000579004785 366692828 /nfs/dbraw/zinc/69/28/28/366692828.db2.gz PEKZCIMLRYNKOY-VXGBXAGGSA-N 2 2 241.379 0.914 20 0 BCADLP [NH3+]C1(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000353575871 181328124 /nfs/dbraw/zinc/32/81/24/181328124.db2.gz FXHDGIQMUGVWEW-UHFFFAOYSA-N 2 2 234.303 0.327 20 0 BCADLP [NH3+]C1(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000262099858 181328228 /nfs/dbraw/zinc/32/82/28/181328228.db2.gz CQJSYJRTUWIMNZ-UHFFFAOYSA-N 2 2 230.271 0.442 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)n1C ZINC000579130150 366720288 /nfs/dbraw/zinc/72/02/88/366720288.db2.gz NHQXLIUKUWFHON-KCJUWKMLSA-N 2 2 236.319 0.343 20 0 BCADLP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)CC(=O)N1 ZINC000579021930 366698586 /nfs/dbraw/zinc/69/85/86/366698586.db2.gz LBESSWGIFXVNGR-SNVBAGLBSA-N 2 2 236.319 0.173 20 0 BCADLP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)CC(=O)N1 ZINC000579021930 366698589 /nfs/dbraw/zinc/69/85/89/366698589.db2.gz LBESSWGIFXVNGR-SNVBAGLBSA-N 2 2 236.319 0.173 20 0 BCADLP C[NH+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000579180518 366727304 /nfs/dbraw/zinc/72/73/04/366727304.db2.gz OOFRGHDJWRWXCY-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000579221613 366735984 /nfs/dbraw/zinc/73/59/84/366735984.db2.gz DVXPXPVKNNPNAO-AEJSXWLSSA-N 2 2 234.303 0.811 20 0 BCADLP COC[C@@H](O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000579246101 366745075 /nfs/dbraw/zinc/74/50/75/366745075.db2.gz XARZVQYGOYIQCZ-MNOVXSKESA-N 2 2 239.319 0.217 20 0 BCADLP COC[C@@H](O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000579246101 366745082 /nfs/dbraw/zinc/74/50/82/366745082.db2.gz XARZVQYGOYIQCZ-MNOVXSKESA-N 2 2 239.319 0.217 20 0 BCADLP CC(=O)N1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000622044658 370672711 /nfs/dbraw/zinc/67/27/11/370672711.db2.gz OMQUOWISQDEEJJ-YUSALJHKSA-N 2 2 225.336 0.195 20 0 BCADLP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1c[nH+]ccc1N ZINC000622044966 370674369 /nfs/dbraw/zinc/67/43/69/370674369.db2.gz YXDBVQKZFGSQQC-DTWKUNHWSA-N 3 2 208.309 0.882 20 0 BCADLP [NH3+]C1(C[NH2+]CC(=O)NCC(F)(F)F)CCC1 ZINC000342107323 181330686 /nfs/dbraw/zinc/33/06/86/181330686.db2.gz PYOWEDGGNYUFER-UHFFFAOYSA-N 2 2 239.241 0.136 20 0 BCADLP [NH3+]C[C@@H]1CCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000429079588 201067071 /nfs/dbraw/zinc/06/70/71/201067071.db2.gz WZLHICQQGMUNQH-JTQLQIEISA-N 2 2 244.298 0.755 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@](C)(O)C[NH2+]C)C[C@@H](C)O1 ZINC000579250708 366747101 /nfs/dbraw/zinc/74/71/01/366747101.db2.gz PTMKSKNCNIJBPG-IJLUTSLNSA-N 2 2 230.352 0.456 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@](C)(O)C[NH2+]C)C[C@@H](C)O1 ZINC000579250708 366747107 /nfs/dbraw/zinc/74/71/07/366747107.db2.gz PTMKSKNCNIJBPG-IJLUTSLNSA-N 2 2 230.352 0.456 20 0 BCADLP [NH3+]C1(C[NH2+]CC(=O)NCc2ccccc2)CCC1 ZINC000342122455 181331336 /nfs/dbraw/zinc/33/13/36/181331336.db2.gz BYBMZGPOACCJIO-UHFFFAOYSA-N 2 2 247.342 0.774 20 0 BCADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C[NH2+]1 ZINC000629535638 361410201 /nfs/dbraw/zinc/41/02/01/361410201.db2.gz CSIMLFJHGOOOIN-NOOOWODRSA-N 3 2 211.353 0.844 20 0 BCADLP [NH3+][C@H]1CCCCC[C@H]1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629543424 361410971 /nfs/dbraw/zinc/41/09/71/361410971.db2.gz BECVGFBLDWRCDW-FRRDWIJNSA-N 2 2 241.379 0.303 20 0 BCADLP [NH3+][C@H]1CCCCC[C@@H]1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629543423 361411693 /nfs/dbraw/zinc/41/16/93/361411693.db2.gz BECVGFBLDWRCDW-AGIUHOORSA-N 2 2 241.379 0.303 20 0 BCADLP CC1(C)CC(C[N@H+](CC[NH3+])C[C@H](O)CO)C1 ZINC000629543439 361411720 /nfs/dbraw/zinc/41/17/20/361411720.db2.gz BMMMXRPWNSRDIL-NSHDSACASA-N 2 2 230.352 0.037 20 0 BCADLP CC1(C)CC(C[N@@H+](CC[NH3+])C[C@H](O)CO)C1 ZINC000629543439 361411721 /nfs/dbraw/zinc/41/17/21/361411721.db2.gz BMMMXRPWNSRDIL-NSHDSACASA-N 2 2 230.352 0.037 20 0 BCADLP Cc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)nn1C ZINC000309909139 491158058 /nfs/dbraw/zinc/15/80/58/491158058.db2.gz LOFHAZTYMCBINK-QWRGUYRKSA-N 2 2 220.320 0.380 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629546699 361428778 /nfs/dbraw/zinc/42/87/78/361428778.db2.gz WWGFPTOOHJEWOR-OUAUKWLOSA-N 2 2 208.309 0.612 20 0 BCADLP CC[N@H+](CC[NH3+])CCC(=O)NC1CCCC1 ZINC000629555996 361449129 /nfs/dbraw/zinc/44/91/29/361449129.db2.gz BRROYFTZOPXQAG-UHFFFAOYSA-N 2 2 227.352 0.716 20 0 BCADLP CC[N@@H+](CC[NH3+])CCC(=O)NC1CCCC1 ZINC000629555996 361449134 /nfs/dbraw/zinc/44/91/34/361449134.db2.gz BRROYFTZOPXQAG-UHFFFAOYSA-N 2 2 227.352 0.716 20 0 BCADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000629554681 361435144 /nfs/dbraw/zinc/43/51/44/361435144.db2.gz NDLIVJIMNJPYGU-CMPLNLGQSA-N 3 2 234.347 0.861 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCn2cc[nH+]c21 ZINC000629544195 361435806 /nfs/dbraw/zinc/43/58/06/361435806.db2.gz GILIMMXZWHBSHJ-IVZWLZJFSA-N 2 2 206.293 0.668 20 0 BCADLP Nc1ncccc1C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000629552965 361437596 /nfs/dbraw/zinc/43/75/96/361437596.db2.gz TWVHMBGIZBXTPB-YPMHNXCESA-N 2 2 232.331 0.977 20 0 BCADLP Nc1ncccc1C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000629552965 361437599 /nfs/dbraw/zinc/43/75/99/361437599.db2.gz TWVHMBGIZBXTPB-YPMHNXCESA-N 2 2 232.331 0.977 20 0 BCADLP COc1cncc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)n1 ZINC000629549581 361441799 /nfs/dbraw/zinc/44/17/99/361441799.db2.gz SKPZHCYGQMKAFY-NXEZZACHSA-N 2 2 236.319 0.797 20 0 BCADLP COc1cncc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)n1 ZINC000629549581 361441804 /nfs/dbraw/zinc/44/18/04/361441804.db2.gz SKPZHCYGQMKAFY-NXEZZACHSA-N 2 2 236.319 0.797 20 0 BCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000629550077 361442404 /nfs/dbraw/zinc/44/24/04/361442404.db2.gz XOGRVSFPAKGKJJ-ONGXEEELSA-N 2 2 237.351 0.918 20 0 BCADLP CCn1nnc(C)c1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000629550077 361442410 /nfs/dbraw/zinc/44/24/10/361442410.db2.gz XOGRVSFPAKGKJJ-ONGXEEELSA-N 2 2 237.351 0.918 20 0 BCADLP [NH3+][C@@H]1CCCCC[C@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000629555710 361448104 /nfs/dbraw/zinc/44/81/04/361448104.db2.gz BECVGFBLDWRCDW-YNEHKIRRSA-N 2 2 241.379 0.303 20 0 BCADLP [NH3+][C@@H]1CCCCC[C@H]1NCC[N@H+]1CC[C@H](O)C1 ZINC000629555710 361448106 /nfs/dbraw/zinc/44/81/06/361448106.db2.gz BECVGFBLDWRCDW-YNEHKIRRSA-N 2 2 241.379 0.303 20 0 BCADLP Cc1[nH]ncc1[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629541924 361418540 /nfs/dbraw/zinc/41/85/40/361418540.db2.gz UEVYINQPFCTJRV-VIFPVBQESA-N 2 2 226.324 0.734 20 0 BCADLP CCc1noc(C[N@H+](C)CCOCC[NH2+]C)n1 ZINC000629570515 361460854 /nfs/dbraw/zinc/46/08/54/361460854.db2.gz YFILCCBOWSJGPS-UHFFFAOYSA-N 2 2 242.323 0.300 20 0 BCADLP CCc1noc(C[N@@H+](C)CCOCC[NH2+]C)n1 ZINC000629570515 361460856 /nfs/dbraw/zinc/46/08/56/361460856.db2.gz YFILCCBOWSJGPS-UHFFFAOYSA-N 2 2 242.323 0.300 20 0 BCADLP C[NH2+]CCOCC[N@H+](C)Cc1cscn1 ZINC000629571582 361462667 /nfs/dbraw/zinc/46/26/67/361462667.db2.gz XIUKPWYRKBYJMD-UHFFFAOYSA-N 2 2 229.349 0.811 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)Cc1cscn1 ZINC000629571582 361462675 /nfs/dbraw/zinc/46/26/75/361462675.db2.gz XIUKPWYRKBYJMD-UHFFFAOYSA-N 2 2 229.349 0.811 20 0 BCADLP CCc1noc([C@@H](C)[N@H+](C)CCOCC[NH3+])n1 ZINC000629579065 361464837 /nfs/dbraw/zinc/46/48/37/361464837.db2.gz IJSDYFUBMJFUTP-SECBINFHSA-N 2 2 242.323 0.600 20 0 BCADLP CCc1noc([C@@H](C)[N@@H+](C)CCOCC[NH3+])n1 ZINC000629579065 361464841 /nfs/dbraw/zinc/46/48/41/361464841.db2.gz IJSDYFUBMJFUTP-SECBINFHSA-N 2 2 242.323 0.600 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCO[C@H](CCF)C1 ZINC000629580984 361471544 /nfs/dbraw/zinc/47/15/44/361471544.db2.gz IOPUGFDZEGDKTO-SNVBAGLBSA-N 2 2 204.289 0.656 20 0 BCADLP C[NH2+]CCC[N@H+]1CCO[C@H](CCF)C1 ZINC000629580984 361471549 /nfs/dbraw/zinc/47/15/49/361471549.db2.gz IOPUGFDZEGDKTO-SNVBAGLBSA-N 2 2 204.289 0.656 20 0 BCADLP Cc1cc(C[N@H+](C)CCOCC[NH3+])nn1C ZINC000629581356 361471590 /nfs/dbraw/zinc/47/15/90/361471590.db2.gz XKXQHHSKMMDECG-UHFFFAOYSA-N 2 2 226.324 0.136 20 0 BCADLP Cc1cc(C[N@@H+](C)CCOCC[NH3+])nn1C ZINC000629581356 361471593 /nfs/dbraw/zinc/47/15/93/361471593.db2.gz XKXQHHSKMMDECG-UHFFFAOYSA-N 2 2 226.324 0.136 20 0 BCADLP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430951676 201160161 /nfs/dbraw/zinc/16/01/61/201160161.db2.gz WCMALPVXCUHABN-NSHDSACASA-N 2 2 248.392 0.480 20 0 BCADLP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430951676 201160165 /nfs/dbraw/zinc/16/01/65/201160165.db2.gz WCMALPVXCUHABN-NSHDSACASA-N 2 2 248.392 0.480 20 0 BCADLP C[C@H](C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)CS(C)(=O)=O ZINC000430942677 201160256 /nfs/dbraw/zinc/16/02/56/201160256.db2.gz DHJCLQGWNSCMEF-OUAUKWLOSA-N 2 2 248.392 0.336 20 0 BCADLP C[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)CS(C)(=O)=O ZINC000430942677 201160260 /nfs/dbraw/zinc/16/02/60/201160260.db2.gz DHJCLQGWNSCMEF-OUAUKWLOSA-N 2 2 248.392 0.336 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629596443 361483427 /nfs/dbraw/zinc/48/34/27/361483427.db2.gz ZTCHYMIFNJVZMN-ZMLRMANQSA-N 2 2 225.336 0.182 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629596443 361483431 /nfs/dbraw/zinc/48/34/31/361483431.db2.gz ZTCHYMIFNJVZMN-ZMLRMANQSA-N 2 2 225.336 0.182 20 0 BCADLP CCn1nccc1CC[N@H+](CC)CC[NH3+] ZINC000629559480 361453185 /nfs/dbraw/zinc/45/31/85/361453185.db2.gz SJKBUAVKYXYCRX-UHFFFAOYSA-N 2 2 210.325 0.726 20 0 BCADLP CCn1nccc1CC[N@@H+](CC)CC[NH3+] ZINC000629559480 361453188 /nfs/dbraw/zinc/45/31/88/361453188.db2.gz SJKBUAVKYXYCRX-UHFFFAOYSA-N 2 2 210.325 0.726 20 0 BCADLP COCC[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000580511613 361506467 /nfs/dbraw/zinc/50/64/67/361506467.db2.gz PALCOVUSVCZVLW-GFCCVEGCSA-N 2 2 242.363 0.818 20 0 BCADLP COCC[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000580511613 361506473 /nfs/dbraw/zinc/50/64/73/361506473.db2.gz PALCOVUSVCZVLW-GFCCVEGCSA-N 2 2 242.363 0.818 20 0 BCADLP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629655749 361560668 /nfs/dbraw/zinc/56/06/68/361560668.db2.gz YCPHYMAFWJIJCN-RYUDHWBXSA-N 3 2 241.379 0.615 20 0 BCADLP Cn1ccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000629649198 361543288 /nfs/dbraw/zinc/54/32/88/361543288.db2.gz LTJPTYARDQTNSL-QWRGUYRKSA-N 2 2 211.284 0.815 20 0 BCADLP Cc1[nH]ncc1C[N@H+](C)CCOCC[NH3+] ZINC000629664021 361595748 /nfs/dbraw/zinc/59/57/48/361595748.db2.gz NVUXHLMSJKRLLD-UHFFFAOYSA-N 2 2 212.297 0.125 20 0 BCADLP Cc1[nH]ncc1C[N@@H+](C)CCOCC[NH3+] ZINC000629664021 361595752 /nfs/dbraw/zinc/59/57/52/361595752.db2.gz NVUXHLMSJKRLLD-UHFFFAOYSA-N 2 2 212.297 0.125 20 0 BCADLP O=C1[C@@H]([NH2+][C@H]2CCC[NH2+]C2)CCN1C1CCC1 ZINC000629673873 361596495 /nfs/dbraw/zinc/59/64/95/361596495.db2.gz LTTGZVWPTPZLNX-JQWIXIFHSA-N 2 2 237.347 0.481 20 0 BCADLP OCc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000309995410 491159624 /nfs/dbraw/zinc/15/96/24/491159624.db2.gz BYXMSCRILKNRGK-AOOOYVTPSA-N 2 2 222.288 0.423 20 0 BCADLP OCc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000309995410 491159625 /nfs/dbraw/zinc/15/96/25/491159625.db2.gz BYXMSCRILKNRGK-AOOOYVTPSA-N 2 2 222.288 0.423 20 0 BCADLP CC[N@H+](Cc1cnnn1C)[C@@H]1CCC[NH2+]CC1 ZINC000435382322 201265198 /nfs/dbraw/zinc/26/51/98/201265198.db2.gz YUHNCBXPTUGGSX-LLVKDONJSA-N 2 2 237.351 0.779 20 0 BCADLP CC[N@@H+](Cc1cnnn1C)[C@@H]1CCC[NH2+]CC1 ZINC000435382322 201265200 /nfs/dbraw/zinc/26/52/00/201265200.db2.gz YUHNCBXPTUGGSX-LLVKDONJSA-N 2 2 237.351 0.779 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000435873425 201291769 /nfs/dbraw/zinc/29/17/69/201291769.db2.gz VQVOCPIQKGEPFA-GFCCVEGCSA-N 2 2 241.379 0.833 20 0 BCADLP C[NH2+]CCC[N@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000435873425 201291773 /nfs/dbraw/zinc/29/17/73/201291773.db2.gz VQVOCPIQKGEPFA-GFCCVEGCSA-N 2 2 241.379 0.833 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000435873523 201291846 /nfs/dbraw/zinc/29/18/46/201291846.db2.gz DVOSJKVWNYYTDB-GFCCVEGCSA-N 2 2 238.335 0.193 20 0 BCADLP C[NH2+]CCC[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000435873523 201291849 /nfs/dbraw/zinc/29/18/49/201291849.db2.gz DVOSJKVWNYYTDB-GFCCVEGCSA-N 2 2 238.335 0.193 20 0 BCADLP C[NH2+]CCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000435878742 201292263 /nfs/dbraw/zinc/29/22/63/201292263.db2.gz FROFKINDPQJYTN-CYBMUJFWSA-N 3 2 241.379 0.250 20 0 BCADLP C[NH2+]CCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000435878742 201292265 /nfs/dbraw/zinc/29/22/65/201292265.db2.gz FROFKINDPQJYTN-CYBMUJFWSA-N 3 2 241.379 0.250 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000435883637 201294622 /nfs/dbraw/zinc/29/46/22/201294622.db2.gz LWXFQZQBSXSLMD-NSHDSACASA-N 2 2 237.351 0.902 20 0 BCADLP C[NH2+]CCC[N@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000435883637 201294624 /nfs/dbraw/zinc/29/46/24/201294624.db2.gz LWXFQZQBSXSLMD-NSHDSACASA-N 2 2 237.351 0.902 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000435883637 201294626 /nfs/dbraw/zinc/29/46/26/201294626.db2.gz LWXFQZQBSXSLMD-NSHDSACASA-N 2 2 237.351 0.902 20 0 BCADLP C[NH2+]CCC[N@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000435883637 201294628 /nfs/dbraw/zinc/29/46/28/201294628.db2.gz LWXFQZQBSXSLMD-NSHDSACASA-N 2 2 237.351 0.902 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000435883637 201294630 /nfs/dbraw/zinc/29/46/30/201294630.db2.gz LWXFQZQBSXSLMD-NSHDSACASA-N 2 2 237.351 0.902 20 0 BCADLP C[NH2+]CCC[N@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000435883637 201294632 /nfs/dbraw/zinc/29/46/32/201294632.db2.gz LWXFQZQBSXSLMD-NSHDSACASA-N 2 2 237.351 0.902 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCC[NH2+]C)C1 ZINC000435882898 201295250 /nfs/dbraw/zinc/29/52/50/201295250.db2.gz VYTSKGHKHRYJDJ-LBPRGKRZSA-N 3 2 213.369 0.870 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC[NH2+]C)C1 ZINC000435882898 201295251 /nfs/dbraw/zinc/29/52/51/201295251.db2.gz VYTSKGHKHRYJDJ-LBPRGKRZSA-N 3 2 213.369 0.870 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCC[NH2+]C)C1 ZINC000435882898 201295254 /nfs/dbraw/zinc/29/52/54/201295254.db2.gz VYTSKGHKHRYJDJ-LBPRGKRZSA-N 3 2 213.369 0.870 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC[NH2+]C)C1 ZINC000435882898 201295257 /nfs/dbraw/zinc/29/52/57/201295257.db2.gz VYTSKGHKHRYJDJ-LBPRGKRZSA-N 3 2 213.369 0.870 20 0 BCADLP COCC[N@@H+]1CC[C@@H](N[C@H](C)C[NH+](C)C)C1 ZINC000328269763 363870866 /nfs/dbraw/zinc/87/08/66/363870866.db2.gz PDQONFFRGGCOKF-VXGBXAGGSA-N 2 2 229.368 0.247 20 0 BCADLP COCC[N@H+]1CC[C@@H](N[C@H](C)C[NH+](C)C)C1 ZINC000328269763 363870869 /nfs/dbraw/zinc/87/08/69/363870869.db2.gz PDQONFFRGGCOKF-VXGBXAGGSA-N 2 2 229.368 0.247 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000627243604 363846488 /nfs/dbraw/zinc/84/64/88/363846488.db2.gz ONBYSAYELAQRGE-GXSJLCMTSA-N 2 2 249.318 0.159 20 0 BCADLP [NH3+]CC1(C(=O)NCc2[nH]cc[nH+]2)CCCC1 ZINC000070819748 181358787 /nfs/dbraw/zinc/35/87/87/181358787.db2.gz YTIJNKIIOOBRNH-UHFFFAOYSA-N 2 2 222.292 0.545 20 0 BCADLP CCOC(=O)[C@H](C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000250664425 364237931 /nfs/dbraw/zinc/23/79/31/364237931.db2.gz HKWZVNPEHIISAL-GUBZILKMSA-N 2 2 212.293 0.089 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1Nc1cc(-n2cc[nH+]c2)ncn1 ZINC000630543143 364238909 /nfs/dbraw/zinc/23/89/09/364238909.db2.gz ACOGYRSKVPMUNQ-VHSXEESVSA-N 2 2 244.302 0.825 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@@H](CO)C1 ZINC000631670965 364261193 /nfs/dbraw/zinc/26/11/93/364261193.db2.gz ZCQGFXAPSZRICG-HNCHTBHHSA-N 2 2 224.348 0.830 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@@H](CO)C1 ZINC000631670965 364261196 /nfs/dbraw/zinc/26/11/96/364261196.db2.gz ZCQGFXAPSZRICG-HNCHTBHHSA-N 2 2 224.348 0.830 20 0 BCADLP C[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000134165666 364393410 /nfs/dbraw/zinc/39/34/10/364393410.db2.gz RVVAOVNJBCLRNK-OUAUKWLOSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000134165666 364393414 /nfs/dbraw/zinc/39/34/14/364393414.db2.gz RVVAOVNJBCLRNK-OUAUKWLOSA-N 2 2 212.337 0.830 20 0 BCADLP [NH3+]CC1CC[NH+](Cc2nnnn2C2CC2)CC1 ZINC000044513491 181365079 /nfs/dbraw/zinc/36/50/79/181365079.db2.gz SZESIPJBOIFUKD-UHFFFAOYSA-N 2 2 236.323 0.179 20 0 BCADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000615299974 364679761 /nfs/dbraw/zinc/67/97/61/364679761.db2.gz CJWYUKYWUWSPTO-MNOVXSKESA-N 2 2 236.319 0.434 20 0 BCADLP CCn1cc[nH+]c1CNC(=O)CCn1cc[nH+]c1 ZINC000573338472 364804634 /nfs/dbraw/zinc/80/46/34/364804634.db2.gz OQUKTPMZLXFLQH-UHFFFAOYSA-N 2 2 247.302 0.806 20 0 BCADLP CC(C)(C)[C@@H](C[NH3+])NC(=O)CCn1cc[nH+]c1 ZINC000302247455 541377560 /nfs/dbraw/zinc/37/75/60/541377560.db2.gz BAWCFHJTGDTOEB-SNVBAGLBSA-N 2 2 238.335 0.763 20 0 BCADLP C[C@@H](CC(=O)N(C)C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399077774 364782580 /nfs/dbraw/zinc/78/25/80/364782580.db2.gz QPWFHEVLPWCJFG-OUAUKWLOSA-N 2 2 227.352 0.583 20 0 BCADLP CNC(=O)C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC000191978751 364832369 /nfs/dbraw/zinc/83/23/69/364832369.db2.gz GHWKJQFALFNGLM-UHFFFAOYSA-N 2 2 248.330 0.258 20 0 BCADLP CC[C@@H]([NH3+])C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000573449288 364836645 /nfs/dbraw/zinc/83/66/45/364836645.db2.gz PUSCJIKTVCQUPC-SECBINFHSA-N 3 2 245.286 0.943 20 0 BCADLP COc1ncccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000095009485 541387974 /nfs/dbraw/zinc/38/79/74/541387974.db2.gz ORXUHTWBYAAKSW-VXGBXAGGSA-N 2 2 233.315 0.741 20 0 BCADLP [NH3+]CCCC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000237919442 181372284 /nfs/dbraw/zinc/37/22/84/181372284.db2.gz ZDQNHYZWKFREGF-UHFFFAOYSA-N 2 2 246.314 0.732 20 0 BCADLP [NH3+]CCCCCCC(=O)NCCn1cc[nH+]c1 ZINC000041120076 181375612 /nfs/dbraw/zinc/37/56/12/181375612.db2.gz UFIPZPXKIPKUND-UHFFFAOYSA-N 2 2 238.335 0.909 20 0 BCADLP CCn1ncnc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168552861 364957451 /nfs/dbraw/zinc/95/74/51/364957451.db2.gz DUPVUCFAGMJNIE-ZJUUUORDSA-N 2 2 223.324 0.467 20 0 BCADLP CCn1ncnc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168552861 364957457 /nfs/dbraw/zinc/95/74/57/364957457.db2.gz DUPVUCFAGMJNIE-ZJUUUORDSA-N 2 2 223.324 0.467 20 0 BCADLP C[C@@H]1CC[N@H+](CC(=O)NCCn2cc[nH+]c2)C1 ZINC000573979761 364960832 /nfs/dbraw/zinc/96/08/32/364960832.db2.gz OGQQJWMHUDBAGA-LLVKDONJSA-N 2 2 236.319 0.341 20 0 BCADLP C[C@@H]1CC[N@@H+](CC(=O)NCCn2cc[nH+]c2)C1 ZINC000573979761 364960838 /nfs/dbraw/zinc/96/08/38/364960838.db2.gz OGQQJWMHUDBAGA-LLVKDONJSA-N 2 2 236.319 0.341 20 0 BCADLP CC(C)C(=O)NCC[N@@H+](C)C[C@H](C)[NH3+] ZINC000574084033 364984025 /nfs/dbraw/zinc/98/40/25/364984025.db2.gz MTUXUEMNWHROOA-VIFPVBQESA-N 2 2 201.314 0.038 20 0 BCADLP CC(C)C(=O)NCC[N@H+](C)C[C@H](C)[NH3+] ZINC000574084033 364984029 /nfs/dbraw/zinc/98/40/29/364984029.db2.gz MTUXUEMNWHROOA-VIFPVBQESA-N 2 2 201.314 0.038 20 0 BCADLP Cc1noc(CCC[N@@H+]2CCC[C@@H]([NH3+])C2)n1 ZINC000574159445 364998293 /nfs/dbraw/zinc/99/82/93/364998293.db2.gz SYPZYWDJEAXATJ-SNVBAGLBSA-N 2 2 224.308 0.734 20 0 BCADLP Cc1noc(CCC[N@H+]2CCC[C@@H]([NH3+])C2)n1 ZINC000574159445 364998298 /nfs/dbraw/zinc/99/82/98/364998298.db2.gz SYPZYWDJEAXATJ-SNVBAGLBSA-N 2 2 224.308 0.734 20 0 BCADLP [NH3+]CCCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000237807684 181382439 /nfs/dbraw/zinc/38/24/39/181382439.db2.gz BJZHYLJMSRLYNY-UHFFFAOYSA-N 2 2 245.286 0.346 20 0 BCADLP [NH3+]CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062031708 181391363 /nfs/dbraw/zinc/39/13/63/181391363.db2.gz XHQANNDBRNTHAI-UHFFFAOYSA-N 3 2 211.353 0.753 20 0 BCADLP O=C(NCC[NH+]1CCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000574455779 365066878 /nfs/dbraw/zinc/06/68/78/365066878.db2.gz IFQXPSIFKHDMOV-NSHDSACASA-N 2 2 248.330 0.267 20 0 BCADLP [NH3+]CC[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000308921783 181391633 /nfs/dbraw/zinc/39/16/33/181391633.db2.gz CIHBMXSSMXLGAY-SNVBAGLBSA-N 2 2 211.309 0.032 20 0 BCADLP [NH3+]CC[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000308921783 181391634 /nfs/dbraw/zinc/39/16/34/181391634.db2.gz CIHBMXSSMXLGAY-SNVBAGLBSA-N 2 2 211.309 0.032 20 0 BCADLP CC(C)CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000574622392 365104105 /nfs/dbraw/zinc/10/41/05/365104105.db2.gz YZCQWUIQVUJXMY-LLVKDONJSA-N 2 2 242.367 0.317 20 0 BCADLP CC(C)CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000574622392 365104112 /nfs/dbraw/zinc/10/41/12/365104112.db2.gz YZCQWUIQVUJXMY-LLVKDONJSA-N 2 2 242.367 0.317 20 0 BCADLP [NH3+]CCOCC[N@@H+]1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000357079042 181399568 /nfs/dbraw/zinc/39/95/68/181399568.db2.gz CINDXXVGUIYAJI-KGLIPLIRSA-N 3 2 249.358 0.388 20 0 BCADLP [NH3+]CCOCC[N@H+]1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000357079042 181399570 /nfs/dbraw/zinc/39/95/70/181399570.db2.gz CINDXXVGUIYAJI-KGLIPLIRSA-N 3 2 249.358 0.388 20 0 BCADLP O[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C(F)(F)F ZINC000574751331 365132974 /nfs/dbraw/zinc/13/29/74/365132974.db2.gz VSIOWGCQDUAHSE-IMTBSYHQSA-N 2 2 249.236 0.780 20 0 BCADLP O[C@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C(F)(F)F ZINC000574751331 365132977 /nfs/dbraw/zinc/13/29/77/365132977.db2.gz VSIOWGCQDUAHSE-IMTBSYHQSA-N 2 2 249.236 0.780 20 0 BCADLP C[C@H](O)[C@H](C)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000574877650 365166357 /nfs/dbraw/zinc/16/63/57/365166357.db2.gz KYOCXUCBTZCLNN-SRVKXCTJSA-N 2 2 230.352 0.192 20 0 BCADLP C[C@H](O)[C@H](C)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000574877650 365166360 /nfs/dbraw/zinc/16/63/60/365166360.db2.gz KYOCXUCBTZCLNN-SRVKXCTJSA-N 2 2 230.352 0.192 20 0 BCADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)[C@H](C)O ZINC000574877651 365166490 /nfs/dbraw/zinc/16/64/90/365166490.db2.gz KYOCXUCBTZCLNN-WOPDTQHZSA-N 2 2 230.352 0.192 20 0 BCADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)[C@H](C)O ZINC000574877651 365166498 /nfs/dbraw/zinc/16/64/98/365166498.db2.gz KYOCXUCBTZCLNN-WOPDTQHZSA-N 2 2 230.352 0.192 20 0 BCADLP C[C@H](CC(=O)NCCn1cc[nH+]c1)n1cc[nH+]c1 ZINC000575049979 365178069 /nfs/dbraw/zinc/17/80/69/365178069.db2.gz WDWVIDWBXHOQOG-LLVKDONJSA-N 2 2 247.302 0.847 20 0 BCADLP C[C@@H](CC(=O)NCCn1cc[nH+]c1)n1cc[nH+]c1 ZINC000575049980 365178350 /nfs/dbraw/zinc/17/83/50/365178350.db2.gz WDWVIDWBXHOQOG-NSHDSACASA-N 2 2 247.302 0.847 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)c1coc(C[NH3+])c1 ZINC000444177413 193040547 /nfs/dbraw/zinc/04/05/47/193040547.db2.gz VTQQPCLUPPAAMN-SECBINFHSA-N 2 2 248.286 0.753 20 0 BCADLP O=C(Nc1c[nH+]ccc1-n1cc[nH+]c1)[C@H]1CC[NH2+]1 ZINC000444257809 193042814 /nfs/dbraw/zinc/04/28/14/193042814.db2.gz GBCAPGPDPUERAJ-SECBINFHSA-N 3 2 243.270 0.568 20 0 BCADLP O=C(NCC[C@H]1CCC[NH2+]1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000444262414 193043158 /nfs/dbraw/zinc/04/31/58/193043158.db2.gz KCXMOBUXYGEBDL-RKDXNWHRSA-N 2 2 247.289 0.242 20 0 BCADLP CC[NH+](CC)CCC[N@H+](C)CC(=O)NC1CC1 ZINC000171931241 365254506 /nfs/dbraw/zinc/25/45/06/365254506.db2.gz FKQNEDLLJPUTFB-UHFFFAOYSA-N 2 2 241.379 0.929 20 0 BCADLP CC[NH+](CC)CCC[N@@H+](C)CC(=O)NC1CC1 ZINC000171931241 365254512 /nfs/dbraw/zinc/25/45/12/365254512.db2.gz FKQNEDLLJPUTFB-UHFFFAOYSA-N 2 2 241.379 0.929 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCCSC ZINC000379884294 365336078 /nfs/dbraw/zinc/33/60/78/365336078.db2.gz XIIRXWFOOPQEAC-LLVKDONJSA-N 2 2 234.409 0.984 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCCSC ZINC000379884294 365336080 /nfs/dbraw/zinc/33/60/80/365336080.db2.gz XIIRXWFOOPQEAC-LLVKDONJSA-N 2 2 234.409 0.984 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCCSC ZINC000379884294 365336082 /nfs/dbraw/zinc/33/60/82/365336082.db2.gz XIIRXWFOOPQEAC-LLVKDONJSA-N 2 2 234.409 0.984 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCCSC ZINC000379884294 365336084 /nfs/dbraw/zinc/33/60/84/365336084.db2.gz XIIRXWFOOPQEAC-LLVKDONJSA-N 2 2 234.409 0.984 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCOC[C@]1(C)CC ZINC000575932382 365419690 /nfs/dbraw/zinc/41/96/90/365419690.db2.gz JLCXQPSRARCNRH-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCOC[C@]1(C)CC ZINC000575932382 365419695 /nfs/dbraw/zinc/41/96/95/365419695.db2.gz JLCXQPSRARCNRH-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCOC[C@]1(C)CC ZINC000575932382 365419702 /nfs/dbraw/zinc/41/97/02/365419702.db2.gz JLCXQPSRARCNRH-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCOC[C@]1(C)CC ZINC000575932382 365419706 /nfs/dbraw/zinc/41/97/06/365419706.db2.gz JLCXQPSRARCNRH-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CF ZINC000575879067 365403415 /nfs/dbraw/zinc/40/34/15/365403415.db2.gz IDSHXXIXMXFUDF-WDEREUQCSA-N 2 2 218.316 0.733 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CF ZINC000575879067 365403420 /nfs/dbraw/zinc/40/34/20/365403420.db2.gz IDSHXXIXMXFUDF-WDEREUQCSA-N 2 2 218.316 0.733 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CF ZINC000575879067 365403425 /nfs/dbraw/zinc/40/34/25/365403425.db2.gz IDSHXXIXMXFUDF-WDEREUQCSA-N 2 2 218.316 0.733 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1CF ZINC000575879067 365403433 /nfs/dbraw/zinc/40/34/33/365403433.db2.gz IDSHXXIXMXFUDF-WDEREUQCSA-N 2 2 218.316 0.733 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCC(=O)NC(C)C)n1C ZINC000575935843 365422081 /nfs/dbraw/zinc/42/20/81/365422081.db2.gz FXVIUMKAXLXMEW-UHFFFAOYSA-N 2 2 238.335 0.733 20 0 BCADLP C[NH+]1CCC(NC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000576180977 365513103 /nfs/dbraw/zinc/51/31/03/365513103.db2.gz ZQRHDQJCUYNMPE-UHFFFAOYSA-N 2 2 239.363 0.539 20 0 BCADLP CCNC(=O)C[N@H+](CC)CCCn1cc[nH+]c1 ZINC000182619279 366923622 /nfs/dbraw/zinc/92/36/22/366923622.db2.gz UXXSERRJRIFIFD-UHFFFAOYSA-N 2 2 238.335 0.731 20 0 BCADLP CCNC(=O)C[N@@H+](CC)CCCn1cc[nH+]c1 ZINC000182619279 366923629 /nfs/dbraw/zinc/92/36/29/366923629.db2.gz UXXSERRJRIFIFD-UHFFFAOYSA-N 2 2 238.335 0.731 20 0 BCADLP Cc1cc(NC(=O)N[C@H](C)CC[NH3+])c(C)c[nH+]1 ZINC000579687676 366980079 /nfs/dbraw/zinc/98/00/79/366980079.db2.gz MRVYDFCHIZXOHB-SECBINFHSA-N 2 2 236.319 0.979 20 0 BCADLP CCc1nn(C)cc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194535703 541513129 /nfs/dbraw/zinc/51/31/29/541513129.db2.gz OYRHOGSQZBDGPM-TXEJJXNPSA-N 2 2 248.374 0.976 20 0 BCADLP CCc1nn(C)cc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194535703 541513131 /nfs/dbraw/zinc/51/31/31/541513131.db2.gz OYRHOGSQZBDGPM-TXEJJXNPSA-N 2 2 248.374 0.976 20 0 BCADLP CCc1nn(C)cc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194535703 541513133 /nfs/dbraw/zinc/51/31/33/541513133.db2.gz OYRHOGSQZBDGPM-TXEJJXNPSA-N 2 2 248.374 0.976 20 0 BCADLP CCc1nn(C)cc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000194535703 541513135 /nfs/dbraw/zinc/51/31/35/541513135.db2.gz OYRHOGSQZBDGPM-TXEJJXNPSA-N 2 2 248.374 0.976 20 0 BCADLP CO[C@@H](C[NH3+])C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000579705636 366985069 /nfs/dbraw/zinc/98/50/69/366985069.db2.gz OCJMVKNNSPWFBS-VIFPVBQESA-N 2 2 234.259 0.247 20 0 BCADLP Cn1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000380763434 367299553 /nfs/dbraw/zinc/29/95/53/367299553.db2.gz WTNFWYJMRDGAKD-QWRGUYRKSA-N 2 2 220.320 0.461 20 0 BCADLP Cn1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000380763434 367299560 /nfs/dbraw/zinc/29/95/60/367299560.db2.gz WTNFWYJMRDGAKD-QWRGUYRKSA-N 2 2 220.320 0.461 20 0 BCADLP CC[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)[C@H](C)O ZINC000565314861 325895577 /nfs/dbraw/zinc/89/55/77/325895577.db2.gz NMRYRBCEHXIWMY-GZMMTYOYSA-N 2 2 211.309 0.978 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+]CC2(O)CCOCC2)C1 ZINC000381986736 367475522 /nfs/dbraw/zinc/47/55/22/367475522.db2.gz GPUWEKCSOBZWCJ-NSHDSACASA-N 2 2 228.336 0.212 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+]CC2(O)CCOCC2)C1 ZINC000381986736 367475526 /nfs/dbraw/zinc/47/55/26/367475526.db2.gz GPUWEKCSOBZWCJ-NSHDSACASA-N 2 2 228.336 0.212 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000381700299 367449303 /nfs/dbraw/zinc/44/93/03/367449303.db2.gz GXFPYRPRTGCQKA-RKDXNWHRSA-N 2 2 210.281 0.125 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](SC)C1 ZINC000382924041 367566842 /nfs/dbraw/zinc/56/68/42/367566842.db2.gz IXJSTKQKIYBFAQ-QWRGUYRKSA-N 2 2 232.393 0.736 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](SC)C1 ZINC000382924041 367566849 /nfs/dbraw/zinc/56/68/49/367566849.db2.gz IXJSTKQKIYBFAQ-QWRGUYRKSA-N 2 2 232.393 0.736 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](SC)C1 ZINC000382924041 367566857 /nfs/dbraw/zinc/56/68/57/367566857.db2.gz IXJSTKQKIYBFAQ-QWRGUYRKSA-N 2 2 232.393 0.736 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](SC)C1 ZINC000382924041 367566860 /nfs/dbraw/zinc/56/68/60/367566860.db2.gz IXJSTKQKIYBFAQ-QWRGUYRKSA-N 2 2 232.393 0.736 20 0 BCADLP Nc1[nH+]cnc(N2CCC[NH2+]CC2)c1Cl ZINC000581538786 367558186 /nfs/dbraw/zinc/55/81/86/367558186.db2.gz LMMWDCXJAOJVJF-UHFFFAOYSA-N 2 2 227.699 0.512 20 0 BCADLP C[C@H]([NH2+]C1CC1)C(=O)NCc1[nH+]ccn1C ZINC000382959980 367573081 /nfs/dbraw/zinc/57/30/81/367573081.db2.gz OFCBAXHVGGNOEC-QMMMGPOBSA-N 2 2 222.292 0.177 20 0 BCADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000581606291 367630450 /nfs/dbraw/zinc/63/04/50/367630450.db2.gz BPQXMKKYGHCXFR-IONNQARKSA-N 2 2 242.348 0.242 20 0 BCADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000581606290 367630474 /nfs/dbraw/zinc/63/04/74/367630474.db2.gz BPQXMKKYGHCXFR-CBAPKCEASA-N 2 2 242.348 0.242 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1C ZINC000383607162 367643187 /nfs/dbraw/zinc/64/31/87/367643187.db2.gz RSNVBXLDSBBPOJ-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1C ZINC000383607162 367643191 /nfs/dbraw/zinc/64/31/91/367643191.db2.gz RSNVBXLDSBBPOJ-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1C ZINC000383607162 367643198 /nfs/dbraw/zinc/64/31/98/367643198.db2.gz RSNVBXLDSBBPOJ-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1C ZINC000383607162 367643202 /nfs/dbraw/zinc/64/32/02/367643202.db2.gz RSNVBXLDSBBPOJ-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1C ZINC000383607163 367643602 /nfs/dbraw/zinc/64/36/02/367643602.db2.gz RSNVBXLDSBBPOJ-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1C ZINC000383607163 367643604 /nfs/dbraw/zinc/64/36/04/367643604.db2.gz RSNVBXLDSBBPOJ-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1C ZINC000383607163 367643605 /nfs/dbraw/zinc/64/36/05/367643605.db2.gz RSNVBXLDSBBPOJ-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1C ZINC000383607163 367643606 /nfs/dbraw/zinc/64/36/06/367643606.db2.gz RSNVBXLDSBBPOJ-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)[C@H](C)C1 ZINC000383764547 367652858 /nfs/dbraw/zinc/65/28/58/367652858.db2.gz MDUPCFFNQSQCKQ-FRRDWIJNSA-N 2 2 244.379 0.513 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)[C@H](C)C1 ZINC000383764547 367652859 /nfs/dbraw/zinc/65/28/59/367652859.db2.gz MDUPCFFNQSQCKQ-FRRDWIJNSA-N 2 2 244.379 0.513 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000383764547 367652860 /nfs/dbraw/zinc/65/28/60/367652860.db2.gz MDUPCFFNQSQCKQ-FRRDWIJNSA-N 2 2 244.379 0.513 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000383764547 367652862 /nfs/dbraw/zinc/65/28/62/367652862.db2.gz MDUPCFFNQSQCKQ-FRRDWIJNSA-N 2 2 244.379 0.513 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CCC1CC1 ZINC000383762086 367653427 /nfs/dbraw/zinc/65/34/27/367653427.db2.gz LRWZIPXKUKZHKD-CYBMUJFWSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CCC1CC1 ZINC000383762086 367653431 /nfs/dbraw/zinc/65/34/31/367653431.db2.gz LRWZIPXKUKZHKD-CYBMUJFWSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CCC1CC1 ZINC000383762086 367653439 /nfs/dbraw/zinc/65/34/39/367653439.db2.gz LRWZIPXKUKZHKD-CYBMUJFWSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CCC1CC1 ZINC000383762086 367653445 /nfs/dbraw/zinc/65/34/45/367653445.db2.gz LRWZIPXKUKZHKD-CYBMUJFWSA-N 2 2 244.379 0.657 20 0 BCADLP Cc1[nH]c(CNC[C@](C)(O)C[NH+](C)C)[nH+]c1C ZINC000581677807 367707206 /nfs/dbraw/zinc/70/72/06/367707206.db2.gz OROJEAPCMLMHBK-LBPRGKRZSA-N 2 2 240.351 0.429 20 0 BCADLP COc1c(C[N@H+](C)C2CC([NH3+])C2)c(C)nn1C ZINC000385093940 367788009 /nfs/dbraw/zinc/78/80/09/367788009.db2.gz YMEQDSUYNJCHKM-UHFFFAOYSA-N 2 2 238.335 0.659 20 0 BCADLP COc1c(C[N@@H+](C)C2CC([NH3+])C2)c(C)nn1C ZINC000385093940 367788013 /nfs/dbraw/zinc/78/80/13/367788013.db2.gz YMEQDSUYNJCHKM-UHFFFAOYSA-N 2 2 238.335 0.659 20 0 BCADLP Cc1[nH+]ccn1CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000622372450 370876312 /nfs/dbraw/zinc/87/63/12/370876312.db2.gz NBZXNCYQIOZGSY-UHFFFAOYSA-N 2 2 245.286 0.472 20 0 BCADLP CON1CCC([NH2+]Cc2c[nH+]c(C)n2C)CC1 ZINC000581836056 367840055 /nfs/dbraw/zinc/84/00/55/367840055.db2.gz RWNBPBFCDZANFW-UHFFFAOYSA-N 2 2 238.335 0.844 20 0 BCADLP C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399171905 367850083 /nfs/dbraw/zinc/85/00/83/367850083.db2.gz ISHHQEQQGFUMSQ-OPRDCNLKSA-N 2 2 234.365 0.150 20 0 BCADLP C[C@H]([NH2+]C[C@@H](O)C(F)F)[C@H]1CCCC[NH2+]1 ZINC000386583991 367996476 /nfs/dbraw/zinc/99/64/76/367996476.db2.gz PORWTDXRAVNKRV-DJLDLDEBSA-N 2 2 222.279 0.733 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]CC1(O)CCOCC1 ZINC000386627726 368002860 /nfs/dbraw/zinc/00/28/60/368002860.db2.gz KYEIPDZUNJDNMX-LLVKDONJSA-N 2 2 228.336 0.212 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+]CC1(O)CCOCC1 ZINC000386627726 368002868 /nfs/dbraw/zinc/00/28/68/368002868.db2.gz KYEIPDZUNJDNMX-LLVKDONJSA-N 2 2 228.336 0.212 20 0 BCADLP CC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1[nH]cc[nH+]1 ZINC000386262967 367942095 /nfs/dbraw/zinc/94/20/95/367942095.db2.gz WHKSRSULHYBPOO-NXEZZACHSA-N 2 2 236.319 0.929 20 0 BCADLP CC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1[nH]cc[nH+]1 ZINC000386262967 367942097 /nfs/dbraw/zinc/94/20/97/367942097.db2.gz WHKSRSULHYBPOO-NXEZZACHSA-N 2 2 236.319 0.929 20 0 BCADLP COC[C@H](CCO)[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386601798 368000271 /nfs/dbraw/zinc/00/02/71/368000271.db2.gz UZPLNWKJRYLNRF-WOPDTQHZSA-N 2 2 230.352 0.504 20 0 BCADLP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000386367739 367956520 /nfs/dbraw/zinc/95/65/20/367956520.db2.gz AVNLMSGKPLNJMM-QWHCGFSZSA-N 3 2 243.395 0.685 20 0 BCADLP CC(C)C(=O)NCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386433372 367969759 /nfs/dbraw/zinc/96/97/59/367969759.db2.gz LRRUKPJEXCATTA-NEPJUHHUSA-N 2 2 241.379 0.879 20 0 BCADLP Cc1[nH]c(C(=O)NC(C)(C)CCC[NH3+])c[nH+]1 ZINC000566252184 326024727 /nfs/dbraw/zinc/02/47/27/326024727.db2.gz NIXITHPCCBCZTO-UHFFFAOYSA-N 2 2 224.308 0.965 20 0 BCADLP C[C@H]([NH3+])C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000566562270 326064113 /nfs/dbraw/zinc/06/41/13/326064113.db2.gz SJMHCOITZFBEHJ-CYZMBNFOSA-N 3 2 241.379 0.552 20 0 BCADLP c1ncn(CC[NH+]2CCC([NH+]3CCCC3)CC2)n1 ZINC000066155564 368641144 /nfs/dbraw/zinc/64/11/44/368641144.db2.gz KCDPDAKFLKHNPH-UHFFFAOYSA-N 2 2 249.362 0.838 20 0 BCADLP C[C@@H](O)CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000082993697 368730970 /nfs/dbraw/zinc/73/09/70/368730970.db2.gz WRKLXKOQCCAWCC-SECBINFHSA-N 2 2 226.324 0.347 20 0 BCADLP OCCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069804836 368759731 /nfs/dbraw/zinc/75/97/31/368759731.db2.gz ZDZOWVIXJUCOGR-CYBMUJFWSA-N 2 2 242.363 0.413 20 0 BCADLP OCCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069804836 368759737 /nfs/dbraw/zinc/75/97/37/368759737.db2.gz ZDZOWVIXJUCOGR-CYBMUJFWSA-N 2 2 242.363 0.413 20 0 BCADLP C[NH+](C)C(C)(C)CNC(=O)CCn1cc[nH+]c1 ZINC000072622645 368775829 /nfs/dbraw/zinc/77/58/29/368775829.db2.gz IOYUKYPFCNSARL-UHFFFAOYSA-N 2 2 238.335 0.730 20 0 BCADLP COc1ccccc1[C@@H](CNC(N)=[NH2+])[NH+](C)C ZINC000073757007 368814822 /nfs/dbraw/zinc/81/48/22/368814822.db2.gz LIAJUTXHQJTYCV-SNVBAGLBSA-N 2 2 236.319 0.781 20 0 BCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000086272195 368878779 /nfs/dbraw/zinc/87/87/79/368878779.db2.gz GAXUEWKYRBPMCN-SFYZADRCSA-N 2 2 208.265 0.024 20 0 BCADLP C[C@@H]1CCC[N@H+](C[C@H]2CCc3ncnn32)[C@H]1C[NH3+] ZINC000631822149 368974856 /nfs/dbraw/zinc/97/48/56/368974856.db2.gz UPZXQIFKEGXSDT-UTUOFQBUSA-N 2 2 249.362 0.825 20 0 BCADLP C[C@@H]1CCC[N@@H+](C[C@H]2CCc3ncnn32)[C@H]1C[NH3+] ZINC000631822149 368974860 /nfs/dbraw/zinc/97/48/60/368974860.db2.gz UPZXQIFKEGXSDT-UTUOFQBUSA-N 2 2 249.362 0.825 20 0 BCADLP CN1CCC[C@@H]([N@@H+]2CCCCC[C@@H]([NH3+])C2)C1=O ZINC000631835793 369048573 /nfs/dbraw/zinc/04/85/73/369048573.db2.gz XWLMDWBMGWGURJ-VXGBXAGGSA-N 2 2 239.363 0.811 20 0 BCADLP CN1CCC[C@@H]([N@H+]2CCCCC[C@@H]([NH3+])C2)C1=O ZINC000631835793 369048577 /nfs/dbraw/zinc/04/85/77/369048577.db2.gz XWLMDWBMGWGURJ-VXGBXAGGSA-N 2 2 239.363 0.811 20 0 BCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107571682 369352929 /nfs/dbraw/zinc/35/29/29/369352929.db2.gz QJQFYEDQFPYERD-IUCAKERBSA-N 2 2 244.302 0.019 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCO[C@@H](CF)C1 ZINC000567747854 326254363 /nfs/dbraw/zinc/25/43/63/326254363.db2.gz BLMDZZRFEGZNRD-NEPJUHHUSA-N 2 2 248.342 0.359 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCO[C@@H](CF)C1 ZINC000567747854 326254365 /nfs/dbraw/zinc/25/43/65/326254365.db2.gz BLMDZZRFEGZNRD-NEPJUHHUSA-N 2 2 248.342 0.359 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCO[C@@H](CF)C1 ZINC000567747854 326254367 /nfs/dbraw/zinc/25/43/67/326254367.db2.gz BLMDZZRFEGZNRD-NEPJUHHUSA-N 2 2 248.342 0.359 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCO[C@@H](CF)C1 ZINC000567747854 326254369 /nfs/dbraw/zinc/25/43/69/326254369.db2.gz BLMDZZRFEGZNRD-NEPJUHHUSA-N 2 2 248.342 0.359 20 0 BCADLP CCOC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404437835 369429599 /nfs/dbraw/zinc/42/95/99/369429599.db2.gz SDRMCQAVTUOONW-MNOVXSKESA-N 2 2 228.336 0.999 20 0 BCADLP CCOC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404437835 369429602 /nfs/dbraw/zinc/42/96/02/369429602.db2.gz SDRMCQAVTUOONW-MNOVXSKESA-N 2 2 228.336 0.999 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000631857206 369435689 /nfs/dbraw/zinc/43/56/89/369435689.db2.gz DYZFOQHDHLPBBQ-SKDRFNHKSA-N 2 2 233.315 0.707 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000631857206 369435694 /nfs/dbraw/zinc/43/56/94/369435694.db2.gz DYZFOQHDHLPBBQ-SKDRFNHKSA-N 2 2 233.315 0.707 20 0 BCADLP CNC(=O)c1ccc(C[N@@H+]2C[C@H]([NH3+])C[C@H]2C)cc1 ZINC000631859287 369467998 /nfs/dbraw/zinc/46/79/98/369467998.db2.gz MCUDKJBWIWGOOO-ZWNOBZJWSA-N 2 2 247.342 0.968 20 0 BCADLP CNC(=O)c1ccc(C[N@H+]2C[C@H]([NH3+])C[C@H]2C)cc1 ZINC000631859287 369468001 /nfs/dbraw/zinc/46/80/01/369468001.db2.gz MCUDKJBWIWGOOO-ZWNOBZJWSA-N 2 2 247.342 0.968 20 0 BCADLP C[C@H](C[NH2+][C@H](C)[C@@H](C)O)C[NH+]1CCOCC1 ZINC000568078024 326305316 /nfs/dbraw/zinc/30/53/16/326305316.db2.gz BZZKCTQQVWPXFC-IJLUTSLNSA-N 2 2 230.352 0.314 20 0 BCADLP C[C@@H](NC(=O)[C@H](C)[NH+](C)C)c1[nH+]ccn1C ZINC000620603530 369951553 /nfs/dbraw/zinc/95/15/53/369951553.db2.gz KMIPQIBIQCPMKX-BDAKNGLRSA-N 2 2 224.308 0.547 20 0 BCADLP CC[C@@H](C(=O)N[C@@H](C)c1[nH+]ccn1C)[NH+](C)C ZINC000620603233 369951626 /nfs/dbraw/zinc/95/16/26/369951626.db2.gz IUDOWIZLIUIXOT-UWVGGRQHSA-N 2 2 238.335 0.938 20 0 BCADLP CCN(C)C(=O)CC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867141 370212325 /nfs/dbraw/zinc/21/23/25/370212325.db2.gz KMUCUVGILCIBEG-YPMHNXCESA-N 2 2 239.363 0.587 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000309759204 370255440 /nfs/dbraw/zinc/25/54/40/370255440.db2.gz IHDLZHPFRMLUIP-IJLUTSLNSA-N 3 2 211.353 0.798 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000309759204 370255445 /nfs/dbraw/zinc/25/54/45/370255445.db2.gz IHDLZHPFRMLUIP-IJLUTSLNSA-N 3 2 211.353 0.798 20 0 BCADLP Cn1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)n1 ZINC000113552813 370428057 /nfs/dbraw/zinc/42/80/57/370428057.db2.gz YJVAYACIVUABCJ-LLVKDONJSA-N 2 2 222.336 0.852 20 0 BCADLP Cn1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)n1 ZINC000113552813 370428062 /nfs/dbraw/zinc/42/80/62/370428062.db2.gz YJVAYACIVUABCJ-LLVKDONJSA-N 2 2 222.336 0.852 20 0 BCADLP C[C@H]([NH3+])CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000621703760 370452129 /nfs/dbraw/zinc/45/21/29/370452129.db2.gz DMRROWUDYDJWIZ-UWVGGRQHSA-N 2 2 236.319 0.299 20 0 BCADLP Cc1cc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)ccn1 ZINC000621776835 370525438 /nfs/dbraw/zinc/52/54/38/370525438.db2.gz XOLUBTRINZFPPD-ZDUSSCGKSA-N 2 2 235.331 0.940 20 0 BCADLP Cc1cc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)ccn1 ZINC000621776835 370525439 /nfs/dbraw/zinc/52/54/39/370525439.db2.gz XOLUBTRINZFPPD-ZDUSSCGKSA-N 2 2 235.331 0.940 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCN1CCOCC1)C2 ZINC000621782988 370532312 /nfs/dbraw/zinc/53/23/12/370532312.db2.gz VNLFTLNSESHFRU-OLZOCXBDSA-N 2 2 239.363 0.132 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCN1CCOCC1)C2 ZINC000621782988 370532317 /nfs/dbraw/zinc/53/23/17/370532317.db2.gz VNLFTLNSESHFRU-OLZOCXBDSA-N 2 2 239.363 0.132 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1CN(CC[NH+]1CCOCC1)C2 ZINC000621782988 370532319 /nfs/dbraw/zinc/53/23/19/370532319.db2.gz VNLFTLNSESHFRU-OLZOCXBDSA-N 2 2 239.363 0.132 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1COCC1(C)C ZINC000313058182 370566690 /nfs/dbraw/zinc/56/66/90/370566690.db2.gz DIYGVWIGLYMROC-GHMZBOCLSA-N 2 2 230.352 0.314 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1COCC1(C)C ZINC000313058182 370566696 /nfs/dbraw/zinc/56/66/96/370566696.db2.gz DIYGVWIGLYMROC-GHMZBOCLSA-N 2 2 230.352 0.314 20 0 BCADLP Cc1cc(N2C[C@@H]3C[NH2+]C[C@H]3C2)nc[nH+]1 ZINC000078522943 370572174 /nfs/dbraw/zinc/57/21/74/370572174.db2.gz ZRBGEYRLIUJAMX-UWVGGRQHSA-N 2 2 204.277 0.441 20 0 BCADLP Cn1c[nH+]c(CC[NH2+]C[C@H](O)C(F)(F)F)c1 ZINC000313259835 370574266 /nfs/dbraw/zinc/57/42/66/370574266.db2.gz FWJYRUZQETTYFC-QMMMGPOBSA-N 2 2 237.225 0.475 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN(C)CC(F)F ZINC000623831866 371116479 /nfs/dbraw/zinc/11/64/79/371116479.db2.gz XZCPFYUKHASFRJ-ZJUUUORDSA-N 2 2 235.322 0.723 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN(C)CC(F)F ZINC000623831866 371116482 /nfs/dbraw/zinc/11/64/82/371116482.db2.gz XZCPFYUKHASFRJ-ZJUUUORDSA-N 2 2 235.322 0.723 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCN(C)CC(F)F ZINC000623831863 371117121 /nfs/dbraw/zinc/11/71/21/371117121.db2.gz XZCPFYUKHASFRJ-NXEZZACHSA-N 2 2 235.322 0.723 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN(C)CC(F)F ZINC000623831863 371117127 /nfs/dbraw/zinc/11/71/27/371117127.db2.gz XZCPFYUKHASFRJ-NXEZZACHSA-N 2 2 235.322 0.723 20 0 BCADLP C[C@H]1CC[C@@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000623837062 371120090 /nfs/dbraw/zinc/12/00/90/371120090.db2.gz WLHFDNKVLFMRQZ-TUAOUCFPSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@H]1CC[C@@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000623837062 371120096 /nfs/dbraw/zinc/12/00/96/371120096.db2.gz WLHFDNKVLFMRQZ-TUAOUCFPSA-N 2 2 212.337 0.831 20 0 BCADLP CC[C@H]1C[C@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)CCO1 ZINC000623838411 371121068 /nfs/dbraw/zinc/12/10/68/371121068.db2.gz UJEUSZPSEMUVSU-AGIUHOORSA-N 2 2 242.363 0.600 20 0 BCADLP CC[C@H]1C[C@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)CCO1 ZINC000623838411 371121069 /nfs/dbraw/zinc/12/10/69/371121069.db2.gz UJEUSZPSEMUVSU-AGIUHOORSA-N 2 2 242.363 0.600 20 0 BCADLP CC[C@H]1C[C@@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)CCO1 ZINC000623838412 371121149 /nfs/dbraw/zinc/12/11/49/371121149.db2.gz UJEUSZPSEMUVSU-AVGNSLFASA-N 2 2 242.363 0.600 20 0 BCADLP CC[C@H]1C[C@@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)CCO1 ZINC000623838412 371121151 /nfs/dbraw/zinc/12/11/51/371121151.db2.gz UJEUSZPSEMUVSU-AVGNSLFASA-N 2 2 242.363 0.600 20 0 BCADLP C[C@H](O)CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000389962366 371183701 /nfs/dbraw/zinc/18/37/01/371183701.db2.gz WGQLKCYCVQGEFT-JFGNBEQYSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H](O)CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000389962366 371183704 /nfs/dbraw/zinc/18/37/04/371183704.db2.gz WGQLKCYCVQGEFT-JFGNBEQYSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)[C@H]1CCOC1 ZINC000624228591 371414293 /nfs/dbraw/zinc/41/42/93/371414293.db2.gz WGELKLYGHXEOJL-SDDRHHMPSA-N 2 2 228.336 0.068 20 0 BCADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)[C@H]1CCOC1 ZINC000624228591 371414299 /nfs/dbraw/zinc/41/42/99/371414299.db2.gz WGELKLYGHXEOJL-SDDRHHMPSA-N 2 2 228.336 0.068 20 0 BCADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)C1CCOCC1 ZINC000624227953 371415053 /nfs/dbraw/zinc/41/50/53/371415053.db2.gz CTMNZNIBJLVETK-WCQYABFASA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)C1CCOCC1 ZINC000624227953 371415070 /nfs/dbraw/zinc/41/50/70/371415070.db2.gz CTMNZNIBJLVETK-WCQYABFASA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCCOC1 ZINC000624230180 371415395 /nfs/dbraw/zinc/41/53/95/371415395.db2.gz POHGERXXFXJSAE-YNEHKIRRSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)[C@@H]1CCCOC1 ZINC000624230180 371415401 /nfs/dbraw/zinc/41/54/01/371415401.db2.gz POHGERXXFXJSAE-YNEHKIRRSA-N 2 2 242.363 0.458 20 0 BCADLP CC1(C)CC([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000624231178 371418187 /nfs/dbraw/zinc/41/81/87/371418187.db2.gz RNOGDKOKHMBESC-LLVKDONJSA-N 2 2 212.337 0.831 20 0 BCADLP CC1(C)CC([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000624231178 371418194 /nfs/dbraw/zinc/41/81/94/371418194.db2.gz RNOGDKOKHMBESC-LLVKDONJSA-N 2 2 212.337 0.831 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+]C2CC(CF)(CF)C2)C1 ZINC000624338697 371488340 /nfs/dbraw/zinc/48/83/40/371488340.db2.gz AULILLVEMZQPOL-NSHDSACASA-N 2 2 248.317 0.730 20 0 BCADLP O[C@H]1CC[N@@H+](CC[NH2+]C2CC(CF)(CF)C2)C1 ZINC000624338697 371488345 /nfs/dbraw/zinc/48/83/45/371488345.db2.gz AULILLVEMZQPOL-NSHDSACASA-N 2 2 248.317 0.730 20 0 BCADLP CCOC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226028337 371601572 /nfs/dbraw/zinc/60/15/72/371601572.db2.gz LFCSWISWFZZZJY-VHSXEESVSA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226028337 371601575 /nfs/dbraw/zinc/60/15/75/371601575.db2.gz LFCSWISWFZZZJY-VHSXEESVSA-N 2 2 214.309 0.609 20 0 BCADLP Cn1c[nH+]cc1CC[NH2+]Cc1cc[nH]n1 ZINC000401726282 371805751 /nfs/dbraw/zinc/80/57/51/371805751.db2.gz LUBQCVNALJHFNG-UHFFFAOYSA-N 2 2 205.265 0.476 20 0 BCADLP CCOC(=O)[C@@H](CC)[N@H+](C)CCC[NH3+] ZINC000227748301 371929652 /nfs/dbraw/zinc/92/96/52/371929652.db2.gz GFDRAYHQPDROOD-SECBINFHSA-N 2 2 202.298 0.609 20 0 BCADLP CCOC(=O)[C@@H](CC)[N@@H+](C)CCC[NH3+] ZINC000227748301 371929663 /nfs/dbraw/zinc/92/96/63/371929663.db2.gz GFDRAYHQPDROOD-SECBINFHSA-N 2 2 202.298 0.609 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CC[C@H](O)C(F)F)n1C ZINC000631214941 372237570 /nfs/dbraw/zinc/23/75/70/372237570.db2.gz FELIFYSHYCECRN-VIFPVBQESA-N 2 2 233.262 0.834 20 0 BCADLP Cc1nccnc1C[NH2+]CC1([NH3+])CCC1 ZINC000631823400 372600208 /nfs/dbraw/zinc/60/02/08/372600208.db2.gz CXHWYXKGOKVOHJ-UHFFFAOYSA-N 2 2 206.293 0.756 20 0 BCADLP [NH3+]C1CC[NH+]([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000631820810 372593151 /nfs/dbraw/zinc/59/31/51/372593151.db2.gz HAWBOJZHHWVXPC-LBPRGKRZSA-N 2 2 237.347 0.563 20 0 BCADLP C[N@H+](C[C@H]1CCc2ncnn21)[C@@H]1CC[NH2+]C1 ZINC000631822032 372596866 /nfs/dbraw/zinc/59/68/66/372596866.db2.gz QXZAUOXYKHYLNR-NXEZZACHSA-N 2 2 221.308 0.059 20 0 BCADLP C[N@@H+](C[C@H]1CCc2ncnn21)[C@@H]1CC[NH2+]C1 ZINC000631822032 372596868 /nfs/dbraw/zinc/59/68/68/372596868.db2.gz QXZAUOXYKHYLNR-NXEZZACHSA-N 2 2 221.308 0.059 20 0 BCADLP C[N@H+](C[C@H]1CCc2ncnn21)C1(C[NH3+])CCC1 ZINC000631827761 372607627 /nfs/dbraw/zinc/60/76/27/372607627.db2.gz WFUJANUWIKIUNT-SNVBAGLBSA-N 2 2 235.335 0.579 20 0 BCADLP C[N@@H+](C[C@H]1CCc2ncnn21)C1(C[NH3+])CCC1 ZINC000631827761 372607629 /nfs/dbraw/zinc/60/76/29/372607629.db2.gz WFUJANUWIKIUNT-SNVBAGLBSA-N 2 2 235.335 0.579 20 0 BCADLP [NH3+][C@@H]1CCCCC[N@H+](CCn2cncn2)C1 ZINC000631833523 372618141 /nfs/dbraw/zinc/61/81/41/372618141.db2.gz CCSBPGQCLNFVBR-LLVKDONJSA-N 2 2 223.324 0.481 20 0 BCADLP [NH3+][C@@H]1CCCCC[N@@H+](CCn2cncn2)C1 ZINC000631833523 372618147 /nfs/dbraw/zinc/61/81/47/372618147.db2.gz CCSBPGQCLNFVBR-LLVKDONJSA-N 2 2 223.324 0.481 20 0 BCADLP CCN1CC[C@@H]([N@@H+]2CCCCC[C@@H]([NH3+])C2)C1=O ZINC000631835204 372622077 /nfs/dbraw/zinc/62/20/77/372622077.db2.gz OSWARHJUMZPKSU-VXGBXAGGSA-N 2 2 239.363 0.811 20 0 BCADLP CCN1CC[C@@H]([N@H+]2CCCCC[C@@H]([NH3+])C2)C1=O ZINC000631835204 372622084 /nfs/dbraw/zinc/62/20/84/372622084.db2.gz OSWARHJUMZPKSU-VXGBXAGGSA-N 2 2 239.363 0.811 20 0 BCADLP CCN1CC[C@@H]([N@@H+]2CCCCC[C@H]([NH3+])C2)C1=O ZINC000631835202 372622659 /nfs/dbraw/zinc/62/26/59/372622659.db2.gz OSWARHJUMZPKSU-NWDGAFQWSA-N 2 2 239.363 0.811 20 0 BCADLP CCN1CC[C@@H]([N@H+]2CCCCC[C@H]([NH3+])C2)C1=O ZINC000631835202 372622660 /nfs/dbraw/zinc/62/26/60/372622660.db2.gz OSWARHJUMZPKSU-NWDGAFQWSA-N 2 2 239.363 0.811 20 0 BCADLP CCN1CC[C@H]([N@@H+]2CCCCC[C@H]([NH3+])C2)C1=O ZINC000631835203 372623407 /nfs/dbraw/zinc/62/34/07/372623407.db2.gz OSWARHJUMZPKSU-RYUDHWBXSA-N 2 2 239.363 0.811 20 0 BCADLP CCN1CC[C@H]([N@H+]2CCCCC[C@H]([NH3+])C2)C1=O ZINC000631835203 372623413 /nfs/dbraw/zinc/62/34/13/372623413.db2.gz OSWARHJUMZPKSU-RYUDHWBXSA-N 2 2 239.363 0.811 20 0 BCADLP CN1CC[C@H]([N@@H+]2CCCCC[C@H]([NH3+])C2)C1=O ZINC000631835599 372623669 /nfs/dbraw/zinc/62/36/69/372623669.db2.gz VQSTXBUZJRRJNX-QWRGUYRKSA-N 2 2 225.336 0.420 20 0 BCADLP CN1CC[C@H]([N@H+]2CCCCC[C@H]([NH3+])C2)C1=O ZINC000631835599 372623673 /nfs/dbraw/zinc/62/36/73/372623673.db2.gz VQSTXBUZJRRJNX-QWRGUYRKSA-N 2 2 225.336 0.420 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCN1CCCC1=O ZINC000631858938 372658494 /nfs/dbraw/zinc/65/84/94/372658494.db2.gz GNXFGGKEQUDYIC-VHSXEESVSA-N 2 2 211.309 0.030 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCN1CCCC1=O ZINC000631858938 372658496 /nfs/dbraw/zinc/65/84/96/372658496.db2.gz GNXFGGKEQUDYIC-VHSXEESVSA-N 2 2 211.309 0.030 20 0 BCADLP CCn1ncnc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838209 372631388 /nfs/dbraw/zinc/63/13/88/372631388.db2.gz KPCBRZUSIUCPSX-NXEZZACHSA-N 2 2 223.324 0.325 20 0 BCADLP CCn1ncnc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838209 372631393 /nfs/dbraw/zinc/63/13/93/372631393.db2.gz KPCBRZUSIUCPSX-NXEZZACHSA-N 2 2 223.324 0.325 20 0 BCADLP Cc1nccnc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000631827070 372606031 /nfs/dbraw/zinc/60/60/31/372606031.db2.gz DROZINNYSBRZCC-UHFFFAOYSA-N 2 2 206.293 0.707 20 0 BCADLP Cc1nccnc1C[N@H+](C)C1CC([NH3+])C1 ZINC000631827070 372606035 /nfs/dbraw/zinc/60/60/35/372606035.db2.gz DROZINNYSBRZCC-UHFFFAOYSA-N 2 2 206.293 0.707 20 0 BCADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCC(=O)Nc1cccnc1 ZINC000631861013 372662490 /nfs/dbraw/zinc/66/24/90/372662490.db2.gz UANPXPHBRSCIJR-QWRGUYRKSA-N 2 2 248.330 0.832 20 0 BCADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCC(=O)Nc1cccnc1 ZINC000631861013 372662495 /nfs/dbraw/zinc/66/24/95/372662495.db2.gz UANPXPHBRSCIJR-QWRGUYRKSA-N 2 2 248.330 0.832 20 0 BCADLP Cc1noc(CCC[N@H+]2C[C@H]([NH3+])C[C@H]2C)n1 ZINC000631862815 372664905 /nfs/dbraw/zinc/66/49/05/372664905.db2.gz UEZBMIRDXSPKRF-PSASIEDQSA-N 2 2 224.308 0.732 20 0 BCADLP Cc1noc(CCC[N@@H+]2C[C@H]([NH3+])C[C@H]2C)n1 ZINC000631862815 372664908 /nfs/dbraw/zinc/66/49/08/372664908.db2.gz UEZBMIRDXSPKRF-PSASIEDQSA-N 2 2 224.308 0.732 20 0 BCADLP OCC[NH2+]C1CC[NH+](CCOCC2CC2)CC1 ZINC000631863945 372666127 /nfs/dbraw/zinc/66/61/27/372666127.db2.gz GEKLLHXGHLRFSI-UHFFFAOYSA-N 2 2 242.363 0.459 20 0 BCADLP COC[C@@H](C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)OC ZINC000631866900 372668134 /nfs/dbraw/zinc/66/81/34/372668134.db2.gz BZAOIQHQIIGYIC-UTUOFQBUSA-N 2 2 228.336 0.380 20 0 BCADLP Cn1c[nH+]cc1CN[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867559 372669274 /nfs/dbraw/zinc/66/92/74/372669274.db2.gz DLQZVUANUPHRHL-PWSUYJOCSA-N 2 2 220.320 0.652 20 0 BCADLP Cn1cc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cn1 ZINC000631867875 372669755 /nfs/dbraw/zinc/66/97/55/372669755.db2.gz NIKGFMHSXBZNES-NEPJUHHUSA-N 2 2 220.320 0.652 20 0 BCADLP CCCNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631885948 372682691 /nfs/dbraw/zinc/68/26/91/372682691.db2.gz FICKSTGYOFAJFU-NWDGAFQWSA-N 2 2 239.363 0.587 20 0 BCADLP CCCNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631885948 372682697 /nfs/dbraw/zinc/68/26/97/372682697.db2.gz FICKSTGYOFAJFU-NWDGAFQWSA-N 2 2 239.363 0.587 20 0 BCADLP O=C(C[C@H]1CCC[NH2+]1)NCc1[nH]cc[nH+]1 ZINC000070646744 182028747 /nfs/dbraw/zinc/02/87/47/182028747.db2.gz MVWSYFHYCVFWAL-MRVPVSSYSA-N 2 2 208.265 0.168 20 0 BCADLP Cc1cc(NC(=O)N2C[C@H]([NH3+])C[C@@H]2C)cc[nH+]1 ZINC000632927470 373224009 /nfs/dbraw/zinc/22/40/09/373224009.db2.gz KNRJQZRVSZVVNF-VHSXEESVSA-N 2 2 234.303 0.765 20 0 BCADLP Cc1cc(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c(C)c[nH+]1 ZINC000632926881 373224444 /nfs/dbraw/zinc/22/44/44/373224444.db2.gz GBDLUTHMNDUINL-QWRGUYRKSA-N 2 2 246.314 0.698 20 0 BCADLP O=C(NC1CC[NH2+]CC1)c1ccc2[nH+]ccn2c1 ZINC000169931515 182115498 /nfs/dbraw/zinc/11/54/98/182115498.db2.gz XCXBMXXUOUMJIO-UHFFFAOYSA-N 2 2 244.298 0.816 20 0 BCADLP O=C(NCCCn1cc[nH+]c1)[C@H]1CSC[NH2+]1 ZINC000020506385 182178876 /nfs/dbraw/zinc/17/88/76/182178876.db2.gz ZKBCJLFVLADXAZ-SECBINFHSA-N 2 2 240.332 0.052 20 0 BCADLP O=C(NCCCn1cc[nH+]c1)[C@H]1CCCC[NH2+]1 ZINC000020506387 182179387 /nfs/dbraw/zinc/17/93/87/182179387.db2.gz NVUMCQVSVMMAHY-LLVKDONJSA-N 2 2 236.319 0.532 20 0 BCADLP O=C(NCC[C@H]1CC[NH2+]C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368488080 182201718 /nfs/dbraw/zinc/20/17/18/182201718.db2.gz YGZUZKMDXFPTCC-BDAKNGLRSA-N 2 2 247.289 0.099 20 0 BCADLP O=C(NCCc1[nH]cc[nH+]1)C12CCC[NH+]1CCC2 ZINC000354203096 182211305 /nfs/dbraw/zinc/21/13/05/182211305.db2.gz KHKQSFSVJHCXEH-UHFFFAOYSA-N 2 2 248.330 0.697 20 0 BCADLP O=C(NCCn1cc[nH+]c1)[C@H]1CCCC[NH2+]1 ZINC000041051019 182216529 /nfs/dbraw/zinc/21/65/29/182216529.db2.gz FMXQTJPRZZCTEH-SNVBAGLBSA-N 2 2 222.292 0.141 20 0 BCADLP O=C(NCc1c[nH+]c[nH]1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250762713 182247488 /nfs/dbraw/zinc/24/74/88/182247488.db2.gz IXNXRLHFCXEEQE-WCQGTBRESA-N 2 2 248.330 0.947 20 0 BCADLP O=C(NCc1c[nH]c[nH+]1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250762713 182247490 /nfs/dbraw/zinc/24/74/90/182247490.db2.gz IXNXRLHFCXEEQE-WCQGTBRESA-N 2 2 248.330 0.947 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)c1ccc2c[nH+]cn2c1 ZINC000339935907 182273890 /nfs/dbraw/zinc/27/38/90/182273890.db2.gz GFNJPFMAGDQTES-UHFFFAOYSA-N 2 2 241.254 0.987 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@H]1CCCC[NH2+]1 ZINC000070646688 182274569 /nfs/dbraw/zinc/27/45/69/182274569.db2.gz HBDWYKHFSAVMEX-MRVPVSSYSA-N 2 2 208.265 0.168 20 0 BCADLP COCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449391247 206096643 /nfs/dbraw/zinc/09/66/43/206096643.db2.gz XSPOOWMDTCZVOV-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP COCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449391247 206096649 /nfs/dbraw/zinc/09/66/49/206096649.db2.gz XSPOOWMDTCZVOV-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCc2cn(C)cn2)C1 ZINC000459654395 206134960 /nfs/dbraw/zinc/13/49/60/206134960.db2.gz FLFGDMUYMUTBEL-WCQYABFASA-N 2 2 236.363 0.892 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCc2cn(C)cn2)C1 ZINC000459654395 206134965 /nfs/dbraw/zinc/13/49/65/206134965.db2.gz FLFGDMUYMUTBEL-WCQYABFASA-N 2 2 236.363 0.892 20 0 BCADLP CCOC(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229088466 170221688 /nfs/dbraw/zinc/22/16/88/170221688.db2.gz RNLUBVNQUVMYIH-UWVGGRQHSA-N 2 2 214.309 0.466 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221301746 170266990 /nfs/dbraw/zinc/26/69/90/170266990.db2.gz LXTXLROFABQGEM-UWVGGRQHSA-N 2 2 214.309 0.479 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221301746 170266991 /nfs/dbraw/zinc/26/69/91/170266991.db2.gz LXTXLROFABQGEM-UWVGGRQHSA-N 2 2 214.309 0.479 20 0 BCADLP OCCCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336677293 183051786 /nfs/dbraw/zinc/05/17/86/183051786.db2.gz AYSAISLLEQDRBM-UHFFFAOYSA-N 2 2 238.335 0.300 20 0 BCADLP OCC[N@H+](CCn1cc[nH+]c1)C1CCC1 ZINC000221203368 183068762 /nfs/dbraw/zinc/06/87/62/183068762.db2.gz ISECVWNTVYDRFH-UHFFFAOYSA-N 2 2 209.293 0.730 20 0 BCADLP OCC[N@@H+](CCn1cc[nH+]c1)C1CCC1 ZINC000221203368 183068763 /nfs/dbraw/zinc/06/87/63/183068763.db2.gz ISECVWNTVYDRFH-UHFFFAOYSA-N 2 2 209.293 0.730 20 0 BCADLP OCCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000304307330 183056391 /nfs/dbraw/zinc/05/63/91/183056391.db2.gz MWLAXIPLBQXJRX-LBPRGKRZSA-N 2 2 228.336 0.023 20 0 BCADLP OCCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000304307330 183056394 /nfs/dbraw/zinc/05/63/94/183056394.db2.gz MWLAXIPLBQXJRX-LBPRGKRZSA-N 2 2 228.336 0.023 20 0 BCADLP OCCOCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266738964 183083236 /nfs/dbraw/zinc/08/32/36/183083236.db2.gz LQYKXAOHKFLIDF-UHFFFAOYSA-N 2 2 239.319 0.598 20 0 BCADLP OCC[C@@H]1CSCC[N@@H+]1CCn1cc[nH+]c1 ZINC000336666544 183094110 /nfs/dbraw/zinc/09/41/10/183094110.db2.gz GIZUOZSBYPPWAC-LLVKDONJSA-N 2 2 241.360 0.683 20 0 BCADLP OCC[C@@H]1CSCC[N@H+]1CCn1cc[nH+]c1 ZINC000336666544 183094112 /nfs/dbraw/zinc/09/41/12/183094112.db2.gz GIZUOZSBYPPWAC-LLVKDONJSA-N 2 2 241.360 0.683 20 0 BCADLP CCCC[C@H]([NH3+])C(=O)N1CC[NH+](CC)CC1 ZINC000037480498 169006125 /nfs/dbraw/zinc/00/61/25/169006125.db2.gz VIOJRDZXAJMQBH-NSHDSACASA-N 2 2 227.352 0.668 20 0 BCADLP OC[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000050116932 183119907 /nfs/dbraw/zinc/11/99/07/183119907.db2.gz CJRVPMWYXFCPSW-NSHDSACASA-N 2 2 209.293 0.730 20 0 BCADLP OC[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000050116932 183119908 /nfs/dbraw/zinc/11/99/08/183119908.db2.gz CJRVPMWYXFCPSW-NSHDSACASA-N 2 2 209.293 0.730 20 0 BCADLP O[C@@H](C[NH2+]Cc1ccccn1)C[NH+]1CCCC1 ZINC000037859687 183180997 /nfs/dbraw/zinc/18/09/97/183180997.db2.gz QNIYTDHTPROACV-ZDUSSCGKSA-N 2 2 235.331 0.628 20 0 BCADLP O[C@@H](CNc1cccc[nH+]1)C[NH+]1CCOCC1 ZINC000299252408 183181845 /nfs/dbraw/zinc/18/18/45/183181845.db2.gz DSVOEHHJHFTRGI-NSHDSACASA-N 2 2 237.303 0.187 20 0 BCADLP CCC[N@H+](C)CC(=O)NCCCn1cc[nH+]c1 ZINC000358563112 169070775 /nfs/dbraw/zinc/07/07/75/169070775.db2.gz QBIQUCZCVPFTJN-UHFFFAOYSA-N 2 2 238.335 0.731 20 0 BCADLP CCC[N@@H+](C)CC(=O)NCCCn1cc[nH+]c1 ZINC000358563112 169070777 /nfs/dbraw/zinc/07/07/77/169070777.db2.gz QBIQUCZCVPFTJN-UHFFFAOYSA-N 2 2 238.335 0.731 20 0 BCADLP CCC[N@H+](C)CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000358582888 169072121 /nfs/dbraw/zinc/07/21/21/169072121.db2.gz DZXLHXNNTIFXEY-NSHDSACASA-N 2 2 238.335 0.730 20 0 BCADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000358582888 169072123 /nfs/dbraw/zinc/07/21/23/169072123.db2.gz DZXLHXNNTIFXEY-NSHDSACASA-N 2 2 238.335 0.730 20 0 BCADLP CCC[N@H+](C)CC(=O)NCc1c[nH+]c[nH]1 ZINC000359125783 169073994 /nfs/dbraw/zinc/07/39/94/169073994.db2.gz LYBTYVVNRWVRAI-UHFFFAOYSA-N 2 2 210.281 0.368 20 0 BCADLP CCC[N@@H+](C)CC(=O)NCc1c[nH]c[nH+]1 ZINC000359125783 169073998 /nfs/dbraw/zinc/07/39/98/169073998.db2.gz LYBTYVVNRWVRAI-UHFFFAOYSA-N 2 2 210.281 0.368 20 0 BCADLP O[C@]1(C(F)(F)F)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000270948459 183250086 /nfs/dbraw/zinc/25/00/86/183250086.db2.gz ZXVARDHPQGOHGG-SECBINFHSA-N 2 2 249.236 0.882 20 0 BCADLP O[C@]1(C(F)(F)F)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000270948459 183250087 /nfs/dbraw/zinc/25/00/87/183250087.db2.gz ZXVARDHPQGOHGG-SECBINFHSA-N 2 2 249.236 0.882 20 0 BCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000331288874 169200352 /nfs/dbraw/zinc/20/03/52/169200352.db2.gz NTHIWMBRCZUPCR-NSHDSACASA-N 2 2 236.319 0.900 20 0 BCADLP CCC[N@H+]1CCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000331288874 169200353 /nfs/dbraw/zinc/20/03/53/169200353.db2.gz NTHIWMBRCZUPCR-NSHDSACASA-N 2 2 236.319 0.900 20 0 BCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000114339036 169200681 /nfs/dbraw/zinc/20/06/81/169200681.db2.gz MMXBHUXSDHKGMV-JTQLQIEISA-N 2 2 236.319 0.900 20 0 BCADLP CCC[N@H+]1CCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000114339036 169200682 /nfs/dbraw/zinc/20/06/82/169200682.db2.gz MMXBHUXSDHKGMV-JTQLQIEISA-N 2 2 236.319 0.900 20 0 BCADLP CCCNC(=O)CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336779871 169216707 /nfs/dbraw/zinc/21/67/07/169216707.db2.gz PQXBAHYHPODSMA-WDEREUQCSA-N 2 2 227.352 0.442 20 0 BCADLP CCCNC(=O)CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336779871 169216708 /nfs/dbraw/zinc/21/67/08/169216708.db2.gz PQXBAHYHPODSMA-WDEREUQCSA-N 2 2 227.352 0.442 20 0 BCADLP CCCNC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372990063 169221560 /nfs/dbraw/zinc/22/15/60/169221560.db2.gz NZMFSLWIHGZKNU-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP CCCNC(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372990063 169221562 /nfs/dbraw/zinc/22/15/62/169221562.db2.gz NZMFSLWIHGZKNU-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP c1cc2c(cc1C[NH2+][C@H]1CC[NH2+]C1)OCCO2 ZINC000094074733 183368183 /nfs/dbraw/zinc/36/81/83/183368183.db2.gz OXGJIQQWNUOGGQ-NSHDSACASA-N 2 2 234.299 0.909 20 0 BCADLP CCC[NH2+]CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368491920 169259369 /nfs/dbraw/zinc/25/93/69/169259369.db2.gz LBOIYALRHXKLAF-MRVPVSSYSA-N 2 2 235.278 0.099 20 0 BCADLP CCCNC(=O)[C@@H](C)[NH+]1CCC([NH2+]C)CC1 ZINC000037469309 169241342 /nfs/dbraw/zinc/24/13/42/169241342.db2.gz MQZUCMFTHHYAPN-SNVBAGLBSA-N 2 2 227.352 0.585 20 0 BCADLP CCC[NH2+][C@@H](C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000296237774 169274818 /nfs/dbraw/zinc/27/48/18/169274818.db2.gz CLJDIJLBESLQND-QWRGUYRKSA-N 2 2 238.335 0.776 20 0 BCADLP CCCS(=O)(=O)CC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000226540268 169329597 /nfs/dbraw/zinc/32/95/97/169329597.db2.gz UPIMDDPTPOXXGI-MNOVXSKESA-N 2 2 248.392 0.480 20 0 BCADLP CCCS(=O)(=O)CC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000226540268 169329598 /nfs/dbraw/zinc/32/95/98/169329598.db2.gz UPIMDDPTPOXXGI-MNOVXSKESA-N 2 2 248.392 0.480 20 0 BCADLP CCC[C@@H]([NH3+])C(=O)N[C@H]1CCc2[nH+]ccn2C1 ZINC000378498645 169391875 /nfs/dbraw/zinc/39/18/75/169391875.db2.gz QFQUFRAEAIRMCD-VHSXEESVSA-N 2 2 236.319 0.442 20 0 BCADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000222558511 134332872 /nfs/dbraw/zinc/33/28/72/134332872.db2.gz BJKGMWOEMJYVEW-LPEHRKFASA-N 2 2 213.325 0.051 20 0 BCADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000222558511 134332873 /nfs/dbraw/zinc/33/28/73/134332873.db2.gz BJKGMWOEMJYVEW-LPEHRKFASA-N 2 2 213.325 0.051 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CCSC1 ZINC000225317989 134354615 /nfs/dbraw/zinc/35/46/15/134354615.db2.gz DUEKSSBKHIGICU-MNOVXSKESA-N 2 2 229.393 0.327 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CCSC1 ZINC000225317989 134354616 /nfs/dbraw/zinc/35/46/16/134354616.db2.gz DUEKSSBKHIGICU-MNOVXSKESA-N 2 2 229.393 0.327 20 0 BCADLP C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226831593 134369906 /nfs/dbraw/zinc/36/99/06/134369906.db2.gz GIIVLQQOIGBZLR-VWYCJHECSA-N 2 2 248.392 0.492 20 0 BCADLP C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226831593 134369907 /nfs/dbraw/zinc/36/99/07/134369907.db2.gz GIIVLQQOIGBZLR-VWYCJHECSA-N 2 2 248.392 0.492 20 0 BCADLP CO[C@H](C[NH2+]C[C@H]1C[N@H+](C)CCN1C)C1CC1 ZINC000400179402 383826188 /nfs/dbraw/zinc/82/61/88/383826188.db2.gz QPGNISLIZZNAGB-QWHCGFSZSA-N 2 2 241.379 0.247 20 0 BCADLP CO[C@H](C[NH2+]C[C@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC000400179402 383826191 /nfs/dbraw/zinc/82/61/91/383826191.db2.gz QPGNISLIZZNAGB-QWHCGFSZSA-N 2 2 241.379 0.247 20 0 BCADLP C[NH+](C)[C@H]1CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000111248383 383847894 /nfs/dbraw/zinc/84/78/94/383847894.db2.gz OGFOXAMIDFEIAZ-JTQLQIEISA-N 2 2 208.309 0.936 20 0 BCADLP C[NH2+][C@@H]1CCC[N@H+](CCOCCOC)C1 ZINC000070028337 383856487 /nfs/dbraw/zinc/85/64/87/383856487.db2.gz FFNOJGULNWJABK-LLVKDONJSA-N 2 2 216.325 0.333 20 0 BCADLP C[NH2+][C@@H]1CCC[N@@H+](CCOCCOC)C1 ZINC000070028337 383856489 /nfs/dbraw/zinc/85/64/89/383856489.db2.gz FFNOJGULNWJABK-LLVKDONJSA-N 2 2 216.325 0.333 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccn(C)n1 ZINC000112340948 383918943 /nfs/dbraw/zinc/91/89/43/383918943.db2.gz VRGPRLYDHKVGEL-JTQLQIEISA-N 2 2 219.292 0.795 20 0 BCADLP CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000036999352 383929050 /nfs/dbraw/zinc/92/90/50/383929050.db2.gz IGUUPQDLYKNQCR-VHSXEESVSA-N 2 2 224.308 0.371 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)CO1 ZINC000647214231 383978678 /nfs/dbraw/zinc/97/86/78/383978678.db2.gz SXDJDFYMQLLRIL-FRRDWIJNSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)CO1 ZINC000647214231 383978680 /nfs/dbraw/zinc/97/86/80/383978680.db2.gz SXDJDFYMQLLRIL-FRRDWIJNSA-N 2 2 242.363 0.600 20 0 BCADLP CNC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227735435 134386159 /nfs/dbraw/zinc/38/61/59/134386159.db2.gz UIKNGIAIMCOHKR-SECBINFHSA-N 2 2 201.314 0.038 20 0 BCADLP CNC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227735435 134386160 /nfs/dbraw/zinc/38/61/60/134386160.db2.gz UIKNGIAIMCOHKR-SECBINFHSA-N 2 2 201.314 0.038 20 0 BCADLP C[N@H+](CCOCC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000070896394 383957301 /nfs/dbraw/zinc/95/73/01/383957301.db2.gz KNTPTBFKFAZFRN-MRVPVSSYSA-N 2 2 226.242 0.859 20 0 BCADLP C[N@@H+](CCOCC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000070896394 383957303 /nfs/dbraw/zinc/95/73/03/383957303.db2.gz KNTPTBFKFAZFRN-MRVPVSSYSA-N 2 2 226.242 0.859 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccnc1 ZINC000068801967 384016409 /nfs/dbraw/zinc/01/64/09/384016409.db2.gz ZOFRQXZPASPMLO-JSGCOSHPSA-N 2 2 248.374 0.978 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccnc1 ZINC000068801967 384016412 /nfs/dbraw/zinc/01/64/12/384016412.db2.gz ZOFRQXZPASPMLO-JSGCOSHPSA-N 2 2 248.374 0.978 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000401786871 384005306 /nfs/dbraw/zinc/00/53/06/384005306.db2.gz DUCBPEGWHFULMO-NSHDSACASA-N 3 2 222.336 0.504 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000401786871 384005308 /nfs/dbraw/zinc/00/53/08/384005308.db2.gz DUCBPEGWHFULMO-NSHDSACASA-N 3 2 222.336 0.504 20 0 BCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000114335966 384032360 /nfs/dbraw/zinc/03/23/60/384032360.db2.gz PBWJETJXMSUNFD-SNVBAGLBSA-N 2 2 236.319 0.900 20 0 BCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000114335966 384032364 /nfs/dbraw/zinc/03/23/64/384032364.db2.gz PBWJETJXMSUNFD-SNVBAGLBSA-N 2 2 236.319 0.900 20 0 BCADLP C[C@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000132117634 384088696 /nfs/dbraw/zinc/08/86/96/384088696.db2.gz CPQJEYDHWHKBRW-WDEREUQCSA-N 2 2 209.293 0.898 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000401812730 384055832 /nfs/dbraw/zinc/05/58/32/384055832.db2.gz VIDDOGCTMMNCBU-JTQLQIEISA-N 3 2 208.309 0.243 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000401812730 384055833 /nfs/dbraw/zinc/05/58/33/384055833.db2.gz VIDDOGCTMMNCBU-JTQLQIEISA-N 3 2 208.309 0.243 20 0 BCADLP COC(=O)[C@H](C)C[N@H+](C)CCn1cc[nH+]c1 ZINC000050068944 384104128 /nfs/dbraw/zinc/10/41/28/384104128.db2.gz MQEWEQVLTCEDPG-SNVBAGLBSA-N 2 2 225.292 0.624 20 0 BCADLP COC(=O)[C@H](C)C[N@@H+](C)CCn1cc[nH+]c1 ZINC000050068944 384104136 /nfs/dbraw/zinc/10/41/36/384104136.db2.gz MQEWEQVLTCEDPG-SNVBAGLBSA-N 2 2 225.292 0.624 20 0 BCADLP CC(C)(C)[C@H]([NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000040459269 384153737 /nfs/dbraw/zinc/15/37/37/384153737.db2.gz VTUVIDHNSTWDHP-SNVBAGLBSA-N 2 2 238.335 0.763 20 0 BCADLP COCC[C@H](C)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449397395 384173491 /nfs/dbraw/zinc/17/34/91/384173491.db2.gz PZWSMQVWLQVYJP-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP COCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449397395 384173496 /nfs/dbraw/zinc/17/34/96/384173496.db2.gz PZWSMQVWLQVYJP-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP CCC[C@@](C)([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000041051056 384175704 /nfs/dbraw/zinc/17/57/04/384175704.db2.gz KVQHOJPRGVGXAX-LLVKDONJSA-N 2 2 224.308 0.517 20 0 BCADLP C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449391928 384160412 /nfs/dbraw/zinc/16/04/12/384160412.db2.gz ZRHOWSBHVOQMEX-YNEHKIRRSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449391928 384160414 /nfs/dbraw/zinc/16/04/14/384160414.db2.gz ZRHOWSBHVOQMEX-YNEHKIRRSA-N 2 2 242.363 0.600 20 0 BCADLP OCCC[N@@H+]1CCC[C@H]([NH2+]CC2CC2)C1 ZINC000449397783 384177672 /nfs/dbraw/zinc/17/76/72/384177672.db2.gz RKROMIIRLCEVFM-LBPRGKRZSA-N 2 2 212.337 0.833 20 0 BCADLP OCCC[N@H+]1CCC[C@H]([NH2+]CC2CC2)C1 ZINC000449397783 384177677 /nfs/dbraw/zinc/17/76/77/384177677.db2.gz RKROMIIRLCEVFM-LBPRGKRZSA-N 2 2 212.337 0.833 20 0 BCADLP CNC(=O)c1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000234364170 384210407 /nfs/dbraw/zinc/21/04/07/384210407.db2.gz ZIROBGAZKKCYRN-CYBMUJFWSA-N 2 2 247.342 0.888 20 0 BCADLP Cn1cc(C[NH+]2CCC([NH+](C)C)CC2)cn1 ZINC000157582820 384223313 /nfs/dbraw/zinc/22/33/13/384223313.db2.gz JKAYDKVSKKHKFY-UHFFFAOYSA-N 2 2 222.336 0.946 20 0 BCADLP Cc1noc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000069626942 384246087 /nfs/dbraw/zinc/24/60/87/384246087.db2.gz VGOVBHPIGXAUAA-PSASIEDQSA-N 2 2 224.308 0.937 20 0 BCADLP Cc1noc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000069626942 384246091 /nfs/dbraw/zinc/24/60/91/384246091.db2.gz VGOVBHPIGXAUAA-PSASIEDQSA-N 2 2 224.308 0.937 20 0 BCADLP CC(C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000082651694 384251510 /nfs/dbraw/zinc/25/15/10/384251510.db2.gz QMPHRQHNAPTDJR-LLVKDONJSA-N 2 2 200.326 0.831 20 0 BCADLP CC(C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000082651694 384251516 /nfs/dbraw/zinc/25/15/16/384251516.db2.gz QMPHRQHNAPTDJR-LLVKDONJSA-N 2 2 200.326 0.831 20 0 BCADLP CC[C@@](C)(C[NH2+]C[C@H]1C[N@H+](C)CCN1C)OC ZINC000319536958 384253344 /nfs/dbraw/zinc/25/33/44/384253344.db2.gz BVLYMUHRFCJFOA-STQMWFEESA-N 2 2 243.395 0.637 20 0 BCADLP CC[C@@](C)(C[NH2+]C[C@H]1C[N@@H+](C)CCN1C)OC ZINC000319536958 384253351 /nfs/dbraw/zinc/25/33/51/384253351.db2.gz BVLYMUHRFCJFOA-STQMWFEESA-N 2 2 243.395 0.637 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)C1CC1 ZINC000082668973 384255879 /nfs/dbraw/zinc/25/58/79/384255879.db2.gz YUDUIEAZTXXOCT-JQWIXIFHSA-N 2 2 211.353 0.620 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC000082668973 384255884 /nfs/dbraw/zinc/25/58/84/384255884.db2.gz YUDUIEAZTXXOCT-JQWIXIFHSA-N 2 2 211.353 0.620 20 0 BCADLP CC[C@H]1C[N@H+](C)CCN1Cc1c[nH+]cn1C ZINC000560614190 384255919 /nfs/dbraw/zinc/25/59/19/384255919.db2.gz BLYVARHRLRDISH-NSHDSACASA-N 2 2 222.336 0.946 20 0 BCADLP CC[C@H]1C[N@@H+](C)CCN1Cc1c[nH+]cn1C ZINC000560614190 384255927 /nfs/dbraw/zinc/25/59/27/384255927.db2.gz BLYVARHRLRDISH-NSHDSACASA-N 2 2 222.336 0.946 20 0 BCADLP Cc1nc(NCC[N@@H+](C)C2CC2)nc(N)[nH+]1 ZINC000304433109 384304586 /nfs/dbraw/zinc/30/45/86/384304586.db2.gz GRRDZDRDQWPLKE-UHFFFAOYSA-N 2 2 222.296 0.268 20 0 BCADLP Cc1nc(NCC[N@H+](C)C2CC2)nc(N)[nH+]1 ZINC000304433109 384304591 /nfs/dbraw/zinc/30/45/91/384304591.db2.gz GRRDZDRDQWPLKE-UHFFFAOYSA-N 2 2 222.296 0.268 20 0 BCADLP CC(C)[C@H](C(=O)NCc1[nH]cc[nH+]1)[NH+](C)C ZINC000120479953 384355882 /nfs/dbraw/zinc/35/58/82/384355882.db2.gz BILUBROYDQESOW-SNVBAGLBSA-N 2 2 224.308 0.612 20 0 BCADLP CC(C)C[C@H]([NH3+])C(=O)NCc1c[nH+]c[nH]1 ZINC000084081088 384361181 /nfs/dbraw/zinc/36/11/81/384361181.db2.gz XEJQKOPEYARAFB-VIFPVBQESA-N 2 2 210.281 0.399 20 0 BCADLP CC(C)C[C@H]([NH3+])C(=O)NCc1c[nH]c[nH+]1 ZINC000084081088 384361190 /nfs/dbraw/zinc/36/11/90/384361190.db2.gz XEJQKOPEYARAFB-VIFPVBQESA-N 2 2 210.281 0.399 20 0 BCADLP COC(=O)[C@H]1CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000095020702 384328002 /nfs/dbraw/zinc/32/80/02/384328002.db2.gz XNPVHRMXJHXPIK-NSHDSACASA-N 2 2 237.303 0.686 20 0 BCADLP COC(=O)[C@H]1CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000095020702 384328011 /nfs/dbraw/zinc/32/80/11/384328011.db2.gz XNPVHRMXJHXPIK-NSHDSACASA-N 2 2 237.303 0.686 20 0 BCADLP C[C@]1(C[N@@H+]2CCC[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000335603756 384376373 /nfs/dbraw/zinc/37/63/73/384376373.db2.gz USIVHMHXAXOQEG-NEPJUHHUSA-N 3 2 211.353 0.657 20 0 BCADLP C[C@]1(C[N@H+]2CCC[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000335603756 384376374 /nfs/dbraw/zinc/37/63/74/384376374.db2.gz USIVHMHXAXOQEG-NEPJUHHUSA-N 3 2 211.353 0.657 20 0 BCADLP Cn1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)n1 ZINC000560966891 384429376 /nfs/dbraw/zinc/42/93/76/384429376.db2.gz YBZLGHPXGJYWBC-JTQLQIEISA-N 2 2 210.325 0.883 20 0 BCADLP Cn1cc[nH+]c1CN1CCC([NH+](C)C)CC1 ZINC000102514259 384485853 /nfs/dbraw/zinc/48/58/53/384485853.db2.gz VBWCCXPWXOQPMJ-UHFFFAOYSA-N 2 2 222.336 0.946 20 0 BCADLP C[C@@]1(C(=O)NCCn2cc[nH+]c2)CCCC[NH2+]1 ZINC000136194903 384484798 /nfs/dbraw/zinc/48/47/98/384484798.db2.gz LXAPRCQAVXHOPK-LBPRGKRZSA-N 2 2 236.319 0.532 20 0 BCADLP C[C@@H](CN[C@H]1CCn2cc[nH+]c21)[NH+](C)C ZINC000294096173 384523796 /nfs/dbraw/zinc/52/37/96/384523796.db2.gz MJTIBMMIFWVYFD-UWVGGRQHSA-N 2 2 208.309 0.868 20 0 BCADLP FC(F)COCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428032298 384557964 /nfs/dbraw/zinc/55/79/64/384557964.db2.gz JOPIHCABQUTRIC-UWVGGRQHSA-N 2 2 234.290 0.952 20 0 BCADLP FC(F)COCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428032298 384557968 /nfs/dbraw/zinc/55/79/68/384557968.db2.gz JOPIHCABQUTRIC-UWVGGRQHSA-N 2 2 234.290 0.952 20 0 BCADLP FC(F)COCC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643066240 384580752 /nfs/dbraw/zinc/58/07/52/384580752.db2.gz LURVDMWUALVRGY-ZJUUUORDSA-N 2 2 234.290 0.952 20 0 BCADLP FC(F)COCC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643066240 384580756 /nfs/dbraw/zinc/58/07/56/384580756.db2.gz LURVDMWUALVRGY-ZJUUUORDSA-N 2 2 234.290 0.952 20 0 BCADLP CC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000647529319 384604807 /nfs/dbraw/zinc/60/48/07/384604807.db2.gz AZFDWICZIJANBT-NWDGAFQWSA-N 2 2 230.352 0.194 20 0 BCADLP CC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000647529319 384604812 /nfs/dbraw/zinc/60/48/12/384604812.db2.gz AZFDWICZIJANBT-NWDGAFQWSA-N 2 2 230.352 0.194 20 0 BCADLP C[N@H+](Cc1cccc(C(N)=O)c1)[C@@H](C[NH3+])C1CC1 ZINC000160085659 384612323 /nfs/dbraw/zinc/61/23/23/384612323.db2.gz LXPMHEJMGPGRFY-ZDUSSCGKSA-N 2 2 247.342 0.955 20 0 BCADLP C[N@@H+](Cc1cccc(C(N)=O)c1)[C@@H](C[NH3+])C1CC1 ZINC000160085659 384612330 /nfs/dbraw/zinc/61/23/30/384612330.db2.gz LXPMHEJMGPGRFY-ZDUSSCGKSA-N 2 2 247.342 0.955 20 0 BCADLP CC[C@@H](O)C[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000647529775 384613124 /nfs/dbraw/zinc/61/31/24/384613124.db2.gz AZZRAUHBBUDMAO-NWDGAFQWSA-N 2 2 230.352 0.194 20 0 BCADLP CC[C@@H](O)C[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000647529775 384613128 /nfs/dbraw/zinc/61/31/28/384613128.db2.gz AZZRAUHBBUDMAO-NWDGAFQWSA-N 2 2 230.352 0.194 20 0 BCADLP CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cnn(C)c1 ZINC000154247963 384596576 /nfs/dbraw/zinc/59/65/76/384596576.db2.gz SATAKMOHDQYRBV-NEPJUHHUSA-N 2 2 240.351 0.383 20 0 BCADLP C[NH+]1CCC([NH2+]C[C@@](C)(O)C(F)(F)F)CC1 ZINC000309779221 384601577 /nfs/dbraw/zinc/60/15/77/384601577.db2.gz QPROBSKXDLXZAB-SECBINFHSA-N 2 2 240.269 0.984 20 0 BCADLP O=C(CCn1cc[nH+]c1)NCC[NH+]1CCC1 ZINC000533566686 384602203 /nfs/dbraw/zinc/60/22/03/384602203.db2.gz SEVYIVZEDNNYOA-UHFFFAOYSA-N 2 2 222.292 0.095 20 0 BCADLP CCOC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638278 384671778 /nfs/dbraw/zinc/67/17/78/384671778.db2.gz AVPBLQKZGNWNNA-SECBINFHSA-N 2 2 216.325 0.855 20 0 BCADLP CCOC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638278 384671784 /nfs/dbraw/zinc/67/17/84/384671784.db2.gz AVPBLQKZGNWNNA-SECBINFHSA-N 2 2 216.325 0.855 20 0 BCADLP C[C@H]([NH3+])CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000258713527 384643419 /nfs/dbraw/zinc/64/34/19/384643419.db2.gz STPKMFYBESUCML-VIFPVBQESA-N 2 2 237.307 0.072 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000564822686 384645723 /nfs/dbraw/zinc/64/57/23/384645723.db2.gz KYMVLKBBYSIQCQ-USZNOCQGSA-N 2 2 228.336 0.114 20 0 BCADLP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000309834251 384652091 /nfs/dbraw/zinc/65/20/91/384652091.db2.gz ZPVRRABXMGMMRU-DCAQKATOSA-N 2 2 221.304 0.965 20 0 BCADLP Cc1[nH]c(C(=O)NCCC[NH+](C)C)c[nH+]1 ZINC000082268154 384657911 /nfs/dbraw/zinc/65/79/11/384657911.db2.gz JOJFJZDEGFJQOA-UHFFFAOYSA-N 2 2 210.281 0.400 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647231419 384658430 /nfs/dbraw/zinc/65/84/30/384658430.db2.gz XXCSVRGBVRXZAC-WDEREUQCSA-N 2 2 237.351 0.287 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647231419 384658434 /nfs/dbraw/zinc/65/84/34/384658434.db2.gz XXCSVRGBVRXZAC-WDEREUQCSA-N 2 2 237.351 0.287 20 0 BCADLP C[C@@H]([NH3+])C(=O)NCCCCn1cc[nH+]c1 ZINC000045109180 384662553 /nfs/dbraw/zinc/66/25/53/384662553.db2.gz BHAREXFYCHETNK-SECBINFHSA-N 2 2 210.281 0.127 20 0 BCADLP Cc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)nn1C ZINC000647536657 384662711 /nfs/dbraw/zinc/66/27/11/384662711.db2.gz RHJLQOGAJIHAHC-GFCCVEGCSA-N 2 2 222.336 0.899 20 0 BCADLP Cc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)nn1C ZINC000647536657 384662715 /nfs/dbraw/zinc/66/27/15/384662715.db2.gz RHJLQOGAJIHAHC-GFCCVEGCSA-N 2 2 222.336 0.899 20 0 BCADLP COC1CC[NH+](CC[NH2+][C@@H]2CO[C@@H](C)C2)CC1 ZINC000647190078 384694514 /nfs/dbraw/zinc/69/45/14/384694514.db2.gz HGRARPVWLCRUDC-RYUDHWBXSA-N 2 2 242.363 0.864 20 0 BCADLP C[C@]1(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC[NH2+]C1 ZINC000647542283 384705802 /nfs/dbraw/zinc/70/58/02/384705802.db2.gz DRFHPAFWENVEOJ-AVGNSLFASA-N 3 2 223.364 0.670 20 0 BCADLP C[C@]1(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC[NH2+]C1 ZINC000647542283 384705808 /nfs/dbraw/zinc/70/58/08/384705808.db2.gz DRFHPAFWENVEOJ-AVGNSLFASA-N 3 2 223.364 0.670 20 0 BCADLP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)nn1C ZINC000647542321 384705914 /nfs/dbraw/zinc/70/59/14/384705914.db2.gz TWKXAGGTIPLCHZ-WCQYABFASA-N 2 2 234.347 0.912 20 0 BCADLP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)nn1C ZINC000647542321 384705925 /nfs/dbraw/zinc/70/59/25/384705925.db2.gz TWKXAGGTIPLCHZ-WCQYABFASA-N 2 2 234.347 0.912 20 0 BCADLP c1[nH]nc2cc(C[NH2+]C[C@@H]3C[NH2+]CCO3)ccc12 ZINC000556963808 384707507 /nfs/dbraw/zinc/70/75/07/384707507.db2.gz JIQCOVLVHWLBCU-LBPRGKRZSA-N 2 2 246.314 0.641 20 0 BCADLP C[C@@H]1C[N@H+](Cc2cncn2C)CC[C@@H]1[NH3+] ZINC000086884194 384711069 /nfs/dbraw/zinc/71/10/69/384711069.db2.gz KRZXOXFHGNEYSS-KOLCDFICSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2cncn2C)CC[C@@H]1[NH3+] ZINC000086884194 384711076 /nfs/dbraw/zinc/71/10/76/384711076.db2.gz KRZXOXFHGNEYSS-KOLCDFICSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@@H]1CN(Cc2c[nH+]cn2C)CC[C@@H]1[NH3+] ZINC000086884194 384711082 /nfs/dbraw/zinc/71/10/82/384711082.db2.gz KRZXOXFHGNEYSS-KOLCDFICSA-N 2 2 208.309 0.589 20 0 BCADLP [NH3+]CCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000107213584 384780741 /nfs/dbraw/zinc/78/07/41/384780741.db2.gz OXZXDVBXTHXENP-LBPRGKRZSA-N 3 2 211.353 0.753 20 0 BCADLP [NH3+]CCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000107213584 384780750 /nfs/dbraw/zinc/78/07/50/384780750.db2.gz OXZXDVBXTHXENP-LBPRGKRZSA-N 3 2 211.353 0.753 20 0 BCADLP COC[C@H](C)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000308513687 384778080 /nfs/dbraw/zinc/77/80/80/384778080.db2.gz LTOHJJHVQXVWAF-OUAUKWLOSA-N 2 2 200.326 0.809 20 0 BCADLP COC[C@H](C)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000308513687 384778082 /nfs/dbraw/zinc/77/80/82/384778082.db2.gz LTOHJJHVQXVWAF-OUAUKWLOSA-N 2 2 200.326 0.809 20 0 BCADLP C[C@]1(C[NH2+]C[C@@H]2CCCC[NH2+]2)CC[NH2+]C1 ZINC000647546529 384729656 /nfs/dbraw/zinc/72/96/56/384729656.db2.gz OBRCRXWLKGLBFA-RYUDHWBXSA-N 3 2 211.353 0.718 20 0 BCADLP C[C@@H]([NH2+][C@H]1C[NH2+]C[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000647546727 384733987 /nfs/dbraw/zinc/73/39/87/384733987.db2.gz YBECZBSTBQTWPA-UMSGYPCISA-N 3 2 225.380 0.962 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)C1 ZINC000647547416 384735852 /nfs/dbraw/zinc/73/58/52/384735852.db2.gz VOPCNIACCURKTO-YNEHKIRRSA-N 3 2 225.380 0.964 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+]CC[NH+](C)C ZINC000308470722 384739953 /nfs/dbraw/zinc/73/99/53/384739953.db2.gz BMHJDCPJSVGZDR-SECBINFHSA-N 2 2 201.314 0.004 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]C[C@H]1CCCOC1 ZINC000309966055 384744155 /nfs/dbraw/zinc/74/41/55/384744155.db2.gz NNYXFTLKJHUWJV-GFCCVEGCSA-N 2 2 230.352 0.317 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]C[C@H]1CCCOC1 ZINC000309966055 384744160 /nfs/dbraw/zinc/74/41/60/384744160.db2.gz NNYXFTLKJHUWJV-GFCCVEGCSA-N 2 2 230.352 0.317 20 0 BCADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647548190 384749941 /nfs/dbraw/zinc/74/99/41/384749941.db2.gz YLYCUSIWFBNNIU-OFTGVCEQSA-N 3 2 241.354 0.664 20 0 BCADLP CN(CC[NH+](C)C)C(=O)NCc1c[nH+]cn1C ZINC000360295493 384816822 /nfs/dbraw/zinc/81/68/22/384816822.db2.gz FJBDPAPSLQTTKP-UHFFFAOYSA-N 2 2 239.323 0.123 20 0 BCADLP COC(=O)CCC[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000601330062 384789351 /nfs/dbraw/zinc/78/93/51/384789351.db2.gz PXAFBCYZEFPZAN-RKDXNWHRSA-N 2 2 200.282 0.361 20 0 BCADLP COC(=O)CCC[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000601330062 384789354 /nfs/dbraw/zinc/78/93/54/384789354.db2.gz PXAFBCYZEFPZAN-RKDXNWHRSA-N 2 2 200.282 0.361 20 0 BCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)COC ZINC000163447400 384805461 /nfs/dbraw/zinc/80/54/61/384805461.db2.gz QUJHHJVABNBCKS-NWDGAFQWSA-N 2 2 230.352 0.722 20 0 BCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)COC ZINC000163447400 384805465 /nfs/dbraw/zinc/80/54/65/384805465.db2.gz QUJHHJVABNBCKS-NWDGAFQWSA-N 2 2 230.352 0.722 20 0 BCADLP Cc1ccc2[nH+]c(CNC(=O)[C@@H](C)[NH3+])cn2c1 ZINC000083909201 384814244 /nfs/dbraw/zinc/81/42/44/384814244.db2.gz QLFGIBHREFXREO-SECBINFHSA-N 2 2 232.287 0.606 20 0 BCADLP Cc1ccn2cc(CNC(=O)[C@H](C)[NH3+])[nH+]c2c1 ZINC000083909189 384815250 /nfs/dbraw/zinc/81/52/50/384815250.db2.gz QELOCOXEIBVQLQ-VIFPVBQESA-N 2 2 232.287 0.606 20 0 BCADLP CCNC(=O)C[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316252464 384870037 /nfs/dbraw/zinc/87/00/37/384870037.db2.gz PCDMYGCHEVXUIV-AXFHLTTASA-N 2 2 227.352 0.570 20 0 BCADLP CCNC(=O)C[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316252464 384870041 /nfs/dbraw/zinc/87/00/41/384870041.db2.gz PCDMYGCHEVXUIV-AXFHLTTASA-N 2 2 227.352 0.570 20 0 BCADLP C[C@H](O)CCC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000308628756 384879880 /nfs/dbraw/zinc/87/98/80/384879880.db2.gz YBPQMHFUVCMBIV-OUAUKWLOSA-N 2 2 200.326 0.687 20 0 BCADLP C[C@H](O)CCC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000308628756 384879889 /nfs/dbraw/zinc/87/98/89/384879889.db2.gz YBPQMHFUVCMBIV-OUAUKWLOSA-N 2 2 200.326 0.687 20 0 BCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000557151384 384845816 /nfs/dbraw/zinc/84/58/16/384845816.db2.gz FWCGSVDWFUOLTB-WDEREUQCSA-N 2 2 236.319 0.434 20 0 BCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000557151384 384845825 /nfs/dbraw/zinc/84/58/25/384845825.db2.gz FWCGSVDWFUOLTB-WDEREUQCSA-N 2 2 236.319 0.434 20 0 BCADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCC[NH2+]1 ZINC000423379334 384849469 /nfs/dbraw/zinc/84/94/69/384849469.db2.gz XEXITHFQPPIKLN-IRCOFANPSA-N 3 2 211.353 0.986 20 0 BCADLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)[C@H]1CCC[NH2+]1 ZINC000423379333 384849766 /nfs/dbraw/zinc/84/97/66/384849766.db2.gz XEXITHFQPPIKLN-FIQHERPVSA-N 3 2 211.353 0.986 20 0 BCADLP C[C@@]1(C[N@H+]2CC[C@@](C)(C[NH3+])C2)CC[NH2+]C1 ZINC000309511833 384850639 /nfs/dbraw/zinc/85/06/39/384850639.db2.gz XOCBIHAPFAZLMS-NWDGAFQWSA-N 3 2 211.353 0.657 20 0 BCADLP C[C@@]1(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)CC[NH2+]C1 ZINC000309511833 384850645 /nfs/dbraw/zinc/85/06/45/384850645.db2.gz XOCBIHAPFAZLMS-NWDGAFQWSA-N 3 2 211.353 0.657 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](CO)C1)C1CC1 ZINC000310135327 384851917 /nfs/dbraw/zinc/85/19/17/384851917.db2.gz ZDXBHLBLMRYKGX-YPMHNXCESA-N 2 2 242.363 0.146 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](CO)C1)C1CC1 ZINC000310135327 384851923 /nfs/dbraw/zinc/85/19/23/384851923.db2.gz ZDXBHLBLMRYKGX-YPMHNXCESA-N 2 2 242.363 0.146 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](CO)C1)C1CC1 ZINC000310135327 384851929 /nfs/dbraw/zinc/85/19/29/384851929.db2.gz ZDXBHLBLMRYKGX-YPMHNXCESA-N 2 2 242.363 0.146 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H](CO)C1)C1CC1 ZINC000310135327 384851935 /nfs/dbraw/zinc/85/19/35/384851935.db2.gz ZDXBHLBLMRYKGX-YPMHNXCESA-N 2 2 242.363 0.146 20 0 BCADLP Nc1cc[nH+]cc1C(=O)NCCCn1cc[nH+]c1 ZINC000127106082 384866504 /nfs/dbraw/zinc/86/65/04/384866504.db2.gz SUFWUANXPFAGCQ-UHFFFAOYSA-N 2 2 245.286 0.680 20 0 BCADLP COC(=O)[C@H]([NH2+]CCn1cc[nH+]c1C)C(C)C ZINC000049330078 384869154 /nfs/dbraw/zinc/86/91/54/384869154.db2.gz YYFKRJISOZXCPP-LLVKDONJSA-N 2 2 239.319 0.979 20 0 BCADLP CN1CCC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000644548013 384951834 /nfs/dbraw/zinc/95/18/34/384951834.db2.gz KIQWOZGGVRVEMF-YPMHNXCESA-N 2 2 241.379 0.125 20 0 BCADLP CN1CCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000644548013 384951839 /nfs/dbraw/zinc/95/18/39/384951839.db2.gz KIQWOZGGVRVEMF-YPMHNXCESA-N 2 2 241.379 0.125 20 0 BCADLP CC[C@@H](O)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000644557039 384957435 /nfs/dbraw/zinc/95/74/35/384957435.db2.gz WTWGDNJDHODINS-NWDGAFQWSA-N 2 2 212.337 0.831 20 0 BCADLP CC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000644557039 384957441 /nfs/dbraw/zinc/95/74/41/384957441.db2.gz WTWGDNJDHODINS-NWDGAFQWSA-N 2 2 212.337 0.831 20 0 BCADLP CC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000644557043 384957535 /nfs/dbraw/zinc/95/75/35/384957535.db2.gz WTWGDNJDHODINS-VXGBXAGGSA-N 2 2 212.337 0.831 20 0 BCADLP CC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000644557043 384957541 /nfs/dbraw/zinc/95/75/41/384957541.db2.gz WTWGDNJDHODINS-VXGBXAGGSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@H](CCO)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000308650904 384892578 /nfs/dbraw/zinc/89/25/78/384892578.db2.gz KIXYCUUNPCISOX-MXWKQRLJSA-N 2 2 200.326 0.545 20 0 BCADLP C[C@H](CCO)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000308650904 384892585 /nfs/dbraw/zinc/89/25/85/384892585.db2.gz KIXYCUUNPCISOX-MXWKQRLJSA-N 2 2 200.326 0.545 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]CCF)n1C ZINC000336676156 384899469 /nfs/dbraw/zinc/89/94/69/384899469.db2.gz CMNBFLPUWVPDNX-UHFFFAOYSA-N 2 2 200.261 0.545 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000647202650 384904331 /nfs/dbraw/zinc/90/43/31/384904331.db2.gz JLGJXBQSOWYYJN-QWRGUYRKSA-N 2 2 216.325 0.068 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000647202650 384904336 /nfs/dbraw/zinc/90/43/36/384904336.db2.gz JLGJXBQSOWYYJN-QWRGUYRKSA-N 2 2 216.325 0.068 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H]1CO[C@@H](C)C1 ZINC000647202651 384906766 /nfs/dbraw/zinc/90/67/66/384906766.db2.gz JLGJXBQSOWYYJN-WDEREUQCSA-N 2 2 216.325 0.068 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CO[C@@H](C)C1 ZINC000647202651 384906774 /nfs/dbraw/zinc/90/67/74/384906774.db2.gz JLGJXBQSOWYYJN-WDEREUQCSA-N 2 2 216.325 0.068 20 0 BCADLP CC(C)C[C@H]([NH3+])c1noc([C@H]2C[NH2+]CCO2)n1 ZINC000647129989 384908603 /nfs/dbraw/zinc/90/86/03/384908603.db2.gz USRWMAWSGSGXNS-DTWKUNHWSA-N 2 2 240.307 0.776 20 0 BCADLP C[C@@H](O)C[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000644518574 384934187 /nfs/dbraw/zinc/93/41/87/384934187.db2.gz STEUPOGBBLUIFC-SNVBAGLBSA-N 2 2 223.320 0.732 20 0 BCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CC(=O)N(C)C)[C@@H]1C ZINC000316300272 384934989 /nfs/dbraw/zinc/93/49/89/384934989.db2.gz VUNAHPMBQXCACH-GMTAPVOTSA-N 2 2 227.352 0.522 20 0 BCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CC(=O)N(C)C)[C@@H]1C ZINC000316300272 384935000 /nfs/dbraw/zinc/93/50/00/384935000.db2.gz VUNAHPMBQXCACH-GMTAPVOTSA-N 2 2 227.352 0.522 20 0 BCADLP C[NH2+]CCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000258815909 384940335 /nfs/dbraw/zinc/94/03/35/384940335.db2.gz TVMLZNHWYUETET-GFCCVEGCSA-N 3 2 213.369 0.870 20 0 BCADLP C[NH2+]CCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000258815909 384940340 /nfs/dbraw/zinc/94/03/40/384940340.db2.gz TVMLZNHWYUETET-GFCCVEGCSA-N 3 2 213.369 0.870 20 0 BCADLP C[NH2+]CCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000258815909 384940346 /nfs/dbraw/zinc/94/03/46/384940346.db2.gz TVMLZNHWYUETET-GFCCVEGCSA-N 3 2 213.369 0.870 20 0 BCADLP C[NH2+]CCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000258815909 384940351 /nfs/dbraw/zinc/94/03/51/384940351.db2.gz TVMLZNHWYUETET-GFCCVEGCSA-N 3 2 213.369 0.870 20 0 BCADLP C[C@@H]1C[NH2+]CCN1c1cc(NC2CC2)[nH+]cn1 ZINC000258768545 384943119 /nfs/dbraw/zinc/94/31/19/384943119.db2.gz QGCLNCGQVSTUMQ-SECBINFHSA-N 2 2 233.319 0.849 20 0 BCADLP COc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)c1 ZINC000258883665 384944371 /nfs/dbraw/zinc/94/43/71/384944371.db2.gz JGQVGKDNNYCTQN-ZDUSSCGKSA-N 2 2 249.358 0.688 20 0 BCADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)COC ZINC000644569316 384965025 /nfs/dbraw/zinc/96/50/25/384965025.db2.gz HJMXIQYMCJSONZ-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP C[NH+](C)[C@@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)CC1 ZINC000336292192 384967091 /nfs/dbraw/zinc/96/70/91/384967091.db2.gz IYXSYFSGHKIICK-VXGBXAGGSA-N 2 2 239.363 0.681 20 0 BCADLP C[NH+](C)[C@@H]1CCC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC000336292192 384967094 /nfs/dbraw/zinc/96/70/94/384967094.db2.gz IYXSYFSGHKIICK-VXGBXAGGSA-N 2 2 239.363 0.681 20 0 BCADLP CC[C@@H](O)C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000644583383 384982042 /nfs/dbraw/zinc/98/20/42/384982042.db2.gz ZKWFSTQAYLHTNY-MNOVXSKESA-N 2 2 232.393 0.784 20 0 BCADLP C[C@H]([NH3+])C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000037008444 384985839 /nfs/dbraw/zinc/98/58/39/384985839.db2.gz LSDFQHSKMVWGDB-JTQLQIEISA-N 2 2 248.330 0.514 20 0 BCADLP CO[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000310373913 385015231 /nfs/dbraw/zinc/01/52/31/385015231.db2.gz YJUCLFGBPDWQRK-QWHCGFSZSA-N 2 2 242.363 0.552 20 0 BCADLP CO[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000310373913 385015232 /nfs/dbraw/zinc/01/52/32/385015232.db2.gz YJUCLFGBPDWQRK-QWHCGFSZSA-N 2 2 242.363 0.552 20 0 BCADLP CO[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000310373913 385015234 /nfs/dbraw/zinc/01/52/34/385015234.db2.gz YJUCLFGBPDWQRK-QWHCGFSZSA-N 2 2 242.363 0.552 20 0 BCADLP CO[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000310373913 385015237 /nfs/dbraw/zinc/01/52/37/385015237.db2.gz YJUCLFGBPDWQRK-QWHCGFSZSA-N 2 2 242.363 0.552 20 0 BCADLP CO[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000310373912 385015423 /nfs/dbraw/zinc/01/54/23/385015423.db2.gz YJUCLFGBPDWQRK-OLZOCXBDSA-N 2 2 242.363 0.552 20 0 BCADLP CO[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000310373912 385015432 /nfs/dbraw/zinc/01/54/32/385015432.db2.gz YJUCLFGBPDWQRK-OLZOCXBDSA-N 2 2 242.363 0.552 20 0 BCADLP CO[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000310373912 385015437 /nfs/dbraw/zinc/01/54/37/385015437.db2.gz YJUCLFGBPDWQRK-OLZOCXBDSA-N 2 2 242.363 0.552 20 0 BCADLP CO[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000310373912 385015443 /nfs/dbraw/zinc/01/54/43/385015443.db2.gz YJUCLFGBPDWQRK-OLZOCXBDSA-N 2 2 242.363 0.552 20 0 BCADLP CC[C@@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000644625727 385019985 /nfs/dbraw/zinc/01/99/85/385019985.db2.gz NPUZOLGMJPBRSE-NXEZZACHSA-N 2 2 209.293 0.558 20 0 BCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC000646914098 385065525 /nfs/dbraw/zinc/06/55/25/385065525.db2.gz PKPDKXBRGWVOSO-WDEREUQCSA-N 2 2 234.303 0.046 20 0 BCADLP C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC000646914098 385065533 /nfs/dbraw/zinc/06/55/33/385065533.db2.gz PKPDKXBRGWVOSO-WDEREUQCSA-N 2 2 234.303 0.046 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000129241738 385127825 /nfs/dbraw/zinc/12/78/25/385127825.db2.gz CBZABSIGMZBTOX-JTQLQIEISA-N 2 2 235.287 0.707 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)[C@@H](C)C1 ZINC000449747373 385137012 /nfs/dbraw/zinc/13/70/12/385137012.db2.gz WNIBBBNIABUWNA-YFKTTZPYSA-N 2 2 239.363 0.570 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)[C@@H](C)C1 ZINC000449747373 385137016 /nfs/dbraw/zinc/13/70/16/385137016.db2.gz WNIBBBNIABUWNA-YFKTTZPYSA-N 2 2 239.363 0.570 20 0 BCADLP CC[C@H]([NH2+]Cc1cccc2[nH+]ccn21)C(=O)NC ZINC000449770075 385188200 /nfs/dbraw/zinc/18/82/00/385188200.db2.gz FHEDMEASSDQLDF-NSHDSACASA-N 2 2 246.314 0.949 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062891435 385196081 /nfs/dbraw/zinc/19/60/81/385196081.db2.gz OWMDDPWFIOMYIH-ZYHUDNBSSA-N 2 2 236.319 0.387 20 0 BCADLP COC(=O)[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000151986602 385146009 /nfs/dbraw/zinc/14/60/09/385146009.db2.gz MHKUUZRWGMFOBH-NSHDSACASA-N 2 2 237.303 0.768 20 0 BCADLP COC(=O)[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000151986602 385146013 /nfs/dbraw/zinc/14/60/13/385146013.db2.gz MHKUUZRWGMFOBH-NSHDSACASA-N 2 2 237.303 0.768 20 0 BCADLP [NH3+]CCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479897 385154658 /nfs/dbraw/zinc/15/46/58/385154658.db2.gz XWDFMLIJJBCNGA-NWDGAFQWSA-N 3 2 211.353 0.799 20 0 BCADLP [NH3+]CCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479897 385154666 /nfs/dbraw/zinc/15/46/66/385154666.db2.gz XWDFMLIJJBCNGA-NWDGAFQWSA-N 3 2 211.353 0.799 20 0 BCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOCC1CC1 ZINC000235129387 385215278 /nfs/dbraw/zinc/21/52/78/385215278.db2.gz QVSAXKZYTDEKMA-WCQYABFASA-N 2 2 242.363 0.770 20 0 BCADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CCCOC1)CC2 ZINC000309330678 385282977 /nfs/dbraw/zinc/28/29/77/385282977.db2.gz HRPCYAJRTDSSQW-MNOVXSKESA-N 2 2 221.304 0.967 20 0 BCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCn2cncn2)[C@@H]1C ZINC000316800867 385330183 /nfs/dbraw/zinc/33/01/83/385330183.db2.gz HFOTYJRANAIMCP-IJLUTSLNSA-N 2 2 237.351 0.726 20 0 BCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCn2cncn2)[C@@H]1C ZINC000316800867 385330191 /nfs/dbraw/zinc/33/01/91/385330191.db2.gz HFOTYJRANAIMCP-IJLUTSLNSA-N 2 2 237.351 0.726 20 0 BCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCn2cncn2)[C@H]1C ZINC000316800872 385330361 /nfs/dbraw/zinc/33/03/61/385330361.db2.gz HFOTYJRANAIMCP-WOPDTQHZSA-N 2 2 237.351 0.726 20 0 BCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCn2cncn2)[C@H]1C ZINC000316800872 385330366 /nfs/dbraw/zinc/33/03/66/385330366.db2.gz HFOTYJRANAIMCP-WOPDTQHZSA-N 2 2 237.351 0.726 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000517036162 385332946 /nfs/dbraw/zinc/33/29/46/385332946.db2.gz XBWAZLSGOVINNL-STQMWFEESA-N 3 2 243.395 0.230 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000517036162 385332950 /nfs/dbraw/zinc/33/29/50/385332950.db2.gz XBWAZLSGOVINNL-STQMWFEESA-N 3 2 243.395 0.230 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000517036162 385332955 /nfs/dbraw/zinc/33/29/55/385332955.db2.gz XBWAZLSGOVINNL-STQMWFEESA-N 3 2 243.395 0.230 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000517036162 385332958 /nfs/dbraw/zinc/33/29/58/385332958.db2.gz XBWAZLSGOVINNL-STQMWFEESA-N 3 2 243.395 0.230 20 0 BCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CC(=O)NC2CC2)[C@H]1C ZINC000316902035 385339053 /nfs/dbraw/zinc/33/90/53/385339053.db2.gz SLBKZZRXRQDTOC-JFGNBEQYSA-N 2 2 239.363 0.713 20 0 BCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CC(=O)NC2CC2)[C@H]1C ZINC000316902035 385339054 /nfs/dbraw/zinc/33/90/54/385339054.db2.gz SLBKZZRXRQDTOC-JFGNBEQYSA-N 2 2 239.363 0.713 20 0 BCADLP CC[NH+](CC)CC[NH2+][C@H](C)CC(=O)NC ZINC000309045010 385389284 /nfs/dbraw/zinc/38/92/84/385389284.db2.gz NYBSGQBMUDPCHY-SNVBAGLBSA-N 2 2 215.341 0.442 20 0 BCADLP C[C@@H](C(=O)NCc1ccn2cc[nH+]c2c1)[C@H](C)[NH3+] ZINC000192117476 385344962 /nfs/dbraw/zinc/34/49/62/385344962.db2.gz RRNQCLXCPNMDNQ-ZJUUUORDSA-N 2 2 246.314 0.934 20 0 BCADLP C[N@H+]1C[C@@H]2CCN(Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000644733716 385353456 /nfs/dbraw/zinc/35/34/56/385353456.db2.gz LHLXMPGXAYPOBS-GXSJLCMTSA-N 2 2 206.293 0.546 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC(=O)NC2CC2)CC[N@@H+]1C ZINC000155852807 385417750 /nfs/dbraw/zinc/41/77/50/385417750.db2.gz NVGCPYRMTYIQKV-MWLCHTKSSA-N 2 2 225.336 0.337 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC(=O)NC2CC2)CC[N@H+]1C ZINC000155852807 385417754 /nfs/dbraw/zinc/41/77/54/385417754.db2.gz NVGCPYRMTYIQKV-MWLCHTKSSA-N 2 2 225.336 0.337 20 0 BCADLP C[C@H](C[NH3+])N(C)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000179185125 385447747 /nfs/dbraw/zinc/44/77/47/385447747.db2.gz RKKCNQIFCPBWIJ-SNVBAGLBSA-N 2 2 246.314 0.682 20 0 BCADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+]C1COC1)C2 ZINC000309170888 385448961 /nfs/dbraw/zinc/44/89/61/385448961.db2.gz LHEIKZMOPFBHDN-VIFPVBQESA-N 2 2 207.277 0.495 20 0 BCADLP CCC[C@@H]1C(=O)NCC[N@H+]1CCn1cc[nH+]c1 ZINC000179529678 385472381 /nfs/dbraw/zinc/47/23/81/385472381.db2.gz NSGLGMBMMCCRJY-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP CCC[C@@H]1C(=O)NCC[N@@H+]1CCn1cc[nH+]c1 ZINC000179529678 385472382 /nfs/dbraw/zinc/47/23/82/385472382.db2.gz NSGLGMBMMCCRJY-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP Cc1cc(N2CC[C@@H](N3CC[NH2+]CC3)C2)nc[nH+]1 ZINC000257693479 385488453 /nfs/dbraw/zinc/48/84/53/385488453.db2.gz JRFHZPOKUOJYEA-GFCCVEGCSA-N 2 2 247.346 0.269 20 0 BCADLP CC[C@H](CO)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000309250268 385500257 /nfs/dbraw/zinc/50/02/57/385500257.db2.gz ZZXFHHUQKVPMRW-FOGDFJRCSA-N 2 2 212.337 0.830 20 0 BCADLP CC[C@H](CO)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000309250268 385500260 /nfs/dbraw/zinc/50/02/60/385500260.db2.gz ZZXFHHUQKVPMRW-FOGDFJRCSA-N 2 2 212.337 0.830 20 0 BCADLP Cc1noc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000228205878 385538323 /nfs/dbraw/zinc/53/83/23/385538323.db2.gz CLHUPXHZCQRRCE-IONNQARKSA-N 2 2 210.281 0.547 20 0 BCADLP Cc1noc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000228205878 385538328 /nfs/dbraw/zinc/53/83/28/385538328.db2.gz CLHUPXHZCQRRCE-IONNQARKSA-N 2 2 210.281 0.547 20 0 BCADLP Cc1nc(N2CC[C@@H]3CC[NH2+][C@H]3C2)cc[nH+]1 ZINC000643030816 385527199 /nfs/dbraw/zinc/52/71/99/385527199.db2.gz AQWIFOZIUYUTJT-QWRGUYRKSA-N 2 2 218.304 0.973 20 0 BCADLP C[C@@H](Nc1ncnc2c1C[N@H+](C)CC2)[C@H](C)[NH3+] ZINC000643045969 385553317 /nfs/dbraw/zinc/55/33/17/385553317.db2.gz UQLOMLPBEXSNDL-DTWKUNHWSA-N 2 2 235.335 0.612 20 0 BCADLP C[C@@H](Nc1ncnc2c1C[N@@H+](C)CC2)[C@H](C)[NH3+] ZINC000643045969 385553320 /nfs/dbraw/zinc/55/33/20/385553320.db2.gz UQLOMLPBEXSNDL-DTWKUNHWSA-N 2 2 235.335 0.612 20 0 BCADLP Cn1ncc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000367711078 385555009 /nfs/dbraw/zinc/55/50/09/385555009.db2.gz XIICHBUURQNLAS-LBPRGKRZSA-N 2 2 246.318 0.849 20 0 BCADLP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(=O)[nH]n1 ZINC000309465556 385595780 /nfs/dbraw/zinc/59/57/80/385595780.db2.gz PVHORWKTWXNWHP-VIFPVBQESA-N 2 2 224.308 0.372 20 0 BCADLP C[N@H+](CC1CC[NH+](C)CC1)CC(C)(C)[NH3+] ZINC000063125143 385596869 /nfs/dbraw/zinc/59/68/69/385596869.db2.gz HFSHNXCIWWRXEC-UHFFFAOYSA-N 3 2 213.369 0.997 20 0 BCADLP C[N@@H+](CC1CC[NH+](C)CC1)CC(C)(C)[NH3+] ZINC000063125143 385596871 /nfs/dbraw/zinc/59/68/71/385596871.db2.gz HFSHNXCIWWRXEC-UHFFFAOYSA-N 3 2 213.369 0.997 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647909282 385615658 /nfs/dbraw/zinc/61/56/58/385615658.db2.gz TYPABFUZXOYCIV-CYBMUJFWSA-N 3 2 241.379 0.426 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647909282 385615665 /nfs/dbraw/zinc/61/56/65/385615665.db2.gz TYPABFUZXOYCIV-CYBMUJFWSA-N 3 2 241.379 0.426 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647909283 385616250 /nfs/dbraw/zinc/61/62/50/385616250.db2.gz TYPABFUZXOYCIV-ZDUSSCGKSA-N 3 2 241.379 0.426 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647909283 385616253 /nfs/dbraw/zinc/61/62/53/385616253.db2.gz TYPABFUZXOYCIV-ZDUSSCGKSA-N 3 2 241.379 0.426 20 0 BCADLP COc1cc[nH+]cc1Cn1cc(CCC[NH3+])nn1 ZINC000310933759 385625388 /nfs/dbraw/zinc/62/53/88/385625388.db2.gz UKBHUUXBWDNUCG-UHFFFAOYSA-N 2 2 247.302 0.621 20 0 BCADLP Cc1c[nH+]c(CNC[C@@H]2CCC[N@@H+]2C)n1C ZINC000309501730 385637542 /nfs/dbraw/zinc/63/75/42/385637542.db2.gz ZZORHZPZZRXZIS-NSHDSACASA-N 2 2 222.336 0.912 20 0 BCADLP Cc1c[nH+]c(CNC[C@@H]2CCC[N@H+]2C)n1C ZINC000309501730 385637544 /nfs/dbraw/zinc/63/75/44/385637544.db2.gz ZZORHZPZZRXZIS-NSHDSACASA-N 2 2 222.336 0.912 20 0 BCADLP CC(C)C[C@H](C[NH2+][C@@H](C)CC(N)=O)[NH+](C)C ZINC000336682950 385645868 /nfs/dbraw/zinc/64/58/68/385645868.db2.gz SDRGVAYOHRZBOS-WDEREUQCSA-N 2 2 229.368 0.816 20 0 BCADLP CC[N@H+](C)CC[NH2+]CC[C@@H]1CCOC1 ZINC000336652967 385664062 /nfs/dbraw/zinc/66/40/62/385664062.db2.gz KYPBSNRYZQITIR-LLVKDONJSA-N 2 2 200.326 0.954 20 0 BCADLP CC[N@@H+](C)CC[NH2+]CC[C@@H]1CCOC1 ZINC000336652967 385664067 /nfs/dbraw/zinc/66/40/67/385664067.db2.gz KYPBSNRYZQITIR-LLVKDONJSA-N 2 2 200.326 0.954 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]Cc1cccn1C ZINC000184542291 385673324 /nfs/dbraw/zinc/67/33/24/385673324.db2.gz ALCYZVYWKQGTQC-UHFFFAOYSA-N 2 2 225.336 0.429 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]Cc1cccn1C ZINC000184542291 385673329 /nfs/dbraw/zinc/67/33/29/385673329.db2.gz ALCYZVYWKQGTQC-UHFFFAOYSA-N 2 2 225.336 0.429 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]CC(C)(C)C ZINC000184538719 385675505 /nfs/dbraw/zinc/67/55/05/385675505.db2.gz UBANIBHQXHYKFN-UHFFFAOYSA-N 2 2 202.342 0.936 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]CC(C)(C)C ZINC000184538719 385675509 /nfs/dbraw/zinc/67/55/09/385675509.db2.gz UBANIBHQXHYKFN-UHFFFAOYSA-N 2 2 202.342 0.936 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NCCF ZINC000337563409 385710237 /nfs/dbraw/zinc/71/02/37/385710237.db2.gz WWAUTRGSGFCNCI-DCAQKATOSA-N 2 2 245.342 0.533 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)NCCF ZINC000337563409 385710242 /nfs/dbraw/zinc/71/02/42/385710242.db2.gz WWAUTRGSGFCNCI-DCAQKATOSA-N 2 2 245.342 0.533 20 0 BCADLP COC[C@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000270491010 385711674 /nfs/dbraw/zinc/71/16/74/385711674.db2.gz GJLJTAOOVDKBDK-NSHDSACASA-N 2 2 238.335 0.577 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)[C@@H]1C ZINC000336689098 385714611 /nfs/dbraw/zinc/71/46/11/385714611.db2.gz WAHDAEICGRJLGX-NDBYEHHHSA-N 2 2 225.380 0.866 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)[C@@H]1C ZINC000336689098 385714618 /nfs/dbraw/zinc/71/46/18/385714618.db2.gz WAHDAEICGRJLGX-NDBYEHHHSA-N 2 2 225.380 0.866 20 0 BCADLP CC[C@H](COC)[NH2+]CC[N@H+](CC)CCO ZINC000186575924 385772052 /nfs/dbraw/zinc/77/20/52/385772052.db2.gz ZFQCBSQCBFOIND-LLVKDONJSA-N 2 2 218.341 0.315 20 0 BCADLP CC[C@H](COC)[NH2+]CC[N@@H+](CC)CCO ZINC000186575924 385772058 /nfs/dbraw/zinc/77/20/58/385772058.db2.gz ZFQCBSQCBFOIND-LLVKDONJSA-N 2 2 218.341 0.315 20 0 BCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cncs1 ZINC000309590025 385721005 /nfs/dbraw/zinc/72/10/05/385721005.db2.gz UNLDDVXFPZMMPI-MWLCHTKSSA-N 2 2 241.360 0.860 20 0 BCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cncs1 ZINC000309590025 385721008 /nfs/dbraw/zinc/72/10/08/385721008.db2.gz UNLDDVXFPZMMPI-MWLCHTKSSA-N 2 2 241.360 0.860 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000353198662 385810852 /nfs/dbraw/zinc/81/08/52/385810852.db2.gz UUFOVEBTGYAUOL-SECBINFHSA-N 2 2 236.319 0.501 20 0 BCADLP CCOC[C@H](O)C[NH2+]Cc1ccn2cc[nH+]c2c1 ZINC000521426966 385814492 /nfs/dbraw/zinc/81/44/92/385814492.db2.gz WGFQKOYDFVSVRN-GFCCVEGCSA-N 2 2 249.314 0.821 20 0 BCADLP C[C@H]1C(=O)N(C)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000186947367 385817168 /nfs/dbraw/zinc/81/71/68/385817168.db2.gz CGCRCFVDJFPAER-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP C[C@H]1C(=O)N(C)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000186947367 385817171 /nfs/dbraw/zinc/81/71/71/385817171.db2.gz CGCRCFVDJFPAER-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP Cn1c[nH+]cc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000271635981 385843585 /nfs/dbraw/zinc/84/35/85/385843585.db2.gz ZCEOCBRSBHKZCK-UHFFFAOYSA-N 2 2 217.276 0.702 20 0 BCADLP Cn1c[nH+]cc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000271635981 385843588 /nfs/dbraw/zinc/84/35/88/385843588.db2.gz ZCEOCBRSBHKZCK-UHFFFAOYSA-N 2 2 217.276 0.702 20 0 BCADLP C[N@@H+]1CC=C(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC000271903441 385858582 /nfs/dbraw/zinc/85/85/82/385858582.db2.gz QHBNRKXWVWDDMH-UHFFFAOYSA-N 2 2 248.330 0.651 20 0 BCADLP CCn1cc(C[NH2+][C@H]2CCC[NH2+]C2)cn1 ZINC000414874838 385888570 /nfs/dbraw/zinc/88/85/70/385888570.db2.gz ZNELNOFQCPASFB-NSHDSACASA-N 2 2 208.309 0.745 20 0 BCADLP CCn1cc(C[NH2+][C@@H]2CCC[NH2+]C2)cn1 ZINC000414874837 385889128 /nfs/dbraw/zinc/88/91/28/385889128.db2.gz ZNELNOFQCPASFB-LLVKDONJSA-N 2 2 208.309 0.745 20 0 BCADLP Cc1nc(N2CC(C[NH+]3CCOCC3)C2)cc[nH+]1 ZINC000647843277 385893594 /nfs/dbraw/zinc/89/35/94/385893594.db2.gz DMEDKEKYOIRZJI-UHFFFAOYSA-N 2 2 248.330 0.553 20 0 BCADLP CCCCCNC(=O)C[N@H+](C)CCC[NH3+] ZINC000647847580 385898918 /nfs/dbraw/zinc/89/89/18/385898918.db2.gz VWLYRBCMTVAFKM-UHFFFAOYSA-N 2 2 215.341 0.573 20 0 BCADLP CCCCCNC(=O)C[N@@H+](C)CCC[NH3+] ZINC000647847580 385898923 /nfs/dbraw/zinc/89/89/23/385898923.db2.gz VWLYRBCMTVAFKM-UHFFFAOYSA-N 2 2 215.341 0.573 20 0 BCADLP COc1coc(C[N@H+](C)CCC[NH3+])cc1=O ZINC000647848572 385899536 /nfs/dbraw/zinc/89/95/36/385899536.db2.gz VBZNTSUUUDHRTP-UHFFFAOYSA-N 2 2 226.276 0.429 20 0 BCADLP COc1coc(C[N@@H+](C)CCC[NH3+])cc1=O ZINC000647848572 385899538 /nfs/dbraw/zinc/89/95/38/385899538.db2.gz VBZNTSUUUDHRTP-UHFFFAOYSA-N 2 2 226.276 0.429 20 0 BCADLP Cc1ccccc1CNC(=O)C[N@H+](C)CCC[NH3+] ZINC000647849315 385900663 /nfs/dbraw/zinc/90/06/63/385900663.db2.gz OWALKNJXQQPGFB-UHFFFAOYSA-N 2 2 249.358 0.892 20 0 BCADLP Cc1ccccc1CNC(=O)C[N@@H+](C)CCC[NH3+] ZINC000647849315 385900665 /nfs/dbraw/zinc/90/06/65/385900665.db2.gz OWALKNJXQQPGFB-UHFFFAOYSA-N 2 2 249.358 0.892 20 0 BCADLP C[C@H]([NH2+][C@H]1CCCCNC1=O)[C@H]1CCC[NH2+]1 ZINC000333258111 385907521 /nfs/dbraw/zinc/90/75/21/385907521.db2.gz IJAROIIXPXHEOG-AXFHLTTASA-N 2 2 225.336 0.385 20 0 BCADLP C[NH2+][C@H]1CCC[N@H+](CCc2cn[nH]c2)C1 ZINC000308975956 385923682 /nfs/dbraw/zinc/92/36/82/385923682.db2.gz BZSPJWJADTXBMK-NSHDSACASA-N 2 2 208.309 0.636 20 0 BCADLP Cn1cc([C@@H]2C[N@H+](CC3CC3)C[C@H]2[NH3+])cn1 ZINC000335033840 385923636 /nfs/dbraw/zinc/92/36/36/385923636.db2.gz XNMPNFFCLMQPHP-NWDGAFQWSA-N 2 2 220.320 0.557 20 0 BCADLP Cn1cc([C@@H]2C[N@@H+](CC3CC3)C[C@H]2[NH3+])cn1 ZINC000335033840 385923643 /nfs/dbraw/zinc/92/36/43/385923643.db2.gz XNMPNFFCLMQPHP-NWDGAFQWSA-N 2 2 220.320 0.557 20 0 BCADLP C[NH2+][C@H]1CCC[N@@H+](CCc2cn[nH]c2)C1 ZINC000308975956 385923687 /nfs/dbraw/zinc/92/36/87/385923687.db2.gz BZSPJWJADTXBMK-NSHDSACASA-N 2 2 208.309 0.636 20 0 BCADLP C(C[N@@H+]1CCC[NH2+]CC1)OC[C@@H]1CCCO1 ZINC000647810524 385861808 /nfs/dbraw/zinc/86/18/08/385861808.db2.gz OICBTWZZOHKHGH-LBPRGKRZSA-N 2 2 228.336 0.477 20 0 BCADLP C(C[N@H+]1CCC[NH2+]CC1)OC[C@@H]1CCCO1 ZINC000647810524 385861815 /nfs/dbraw/zinc/86/18/15/385861815.db2.gz OICBTWZZOHKHGH-LBPRGKRZSA-N 2 2 228.336 0.477 20 0 BCADLP CC1(C(=O)NCc2ccn3cc[nH+]c3c2)C[NH2+]C1 ZINC000335037126 385927679 /nfs/dbraw/zinc/92/76/79/385927679.db2.gz GIIDKGGEWKMNKE-UHFFFAOYSA-N 2 2 244.298 0.560 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414959673 385868723 /nfs/dbraw/zinc/86/87/23/385868723.db2.gz TZALJKVKBFJRHS-SRVKXCTJSA-N 3 2 211.353 0.859 20 0 BCADLP [NH3+]C[C@H]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000647830611 385872436 /nfs/dbraw/zinc/87/24/36/385872436.db2.gz WELKWSHLKWBMGP-UPJWGTAASA-N 2 2 239.363 0.130 20 0 BCADLP [NH3+]C[C@H]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000647830611 385872438 /nfs/dbraw/zinc/87/24/38/385872438.db2.gz WELKWSHLKWBMGP-UPJWGTAASA-N 2 2 239.363 0.130 20 0 BCADLP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[NH2+]C2)n1 ZINC000414881130 385988943 /nfs/dbraw/zinc/98/89/43/385988943.db2.gz KUKISCWIVLGTOV-CMPLNLGQSA-N 2 2 235.331 0.973 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000335041464 385933235 /nfs/dbraw/zinc/93/32/35/385933235.db2.gz ICLAEQBFZMGTJL-AAEUAGOBSA-N 3 2 223.364 0.836 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335041464 385933241 /nfs/dbraw/zinc/93/32/41/385933241.db2.gz ICLAEQBFZMGTJL-AAEUAGOBSA-N 3 2 223.364 0.836 20 0 BCADLP CC[NH+](CC)CCC[N@H+](C)[C@H]1CCNC1=O ZINC000338281003 385945848 /nfs/dbraw/zinc/94/58/48/385945848.db2.gz WGFAIOURNAJRQI-NSHDSACASA-N 2 2 227.352 0.539 20 0 BCADLP CC[NH+](CC)CCC[N@@H+](C)[C@H]1CCNC1=O ZINC000338281003 385945854 /nfs/dbraw/zinc/94/58/54/385945854.db2.gz WGFAIOURNAJRQI-NSHDSACASA-N 2 2 227.352 0.539 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@H+](Cc2cccc(N)c2)CCO1 ZINC000647865919 385999760 /nfs/dbraw/zinc/99/97/60/385999760.db2.gz XLGNDNNKNUYMAX-GWCFXTLKSA-N 2 2 235.331 0.817 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](Cc2cccc(N)c2)CCO1 ZINC000647865919 385999766 /nfs/dbraw/zinc/99/97/66/385999766.db2.gz XLGNDNNKNUYMAX-GWCFXTLKSA-N 2 2 235.331 0.817 20 0 BCADLP COCC[C@@]1([NH2+]Cc2c[nH+]c[nH]2)CCOC1 ZINC000336770482 386017960 /nfs/dbraw/zinc/01/79/60/386017960.db2.gz SYFPCKXATXYTPJ-LLVKDONJSA-N 2 2 225.292 0.695 20 0 BCADLP C[C@@H](C[NH+](C)C)NC(=O)NCCn1cc[nH+]c1 ZINC000286603295 386057575 /nfs/dbraw/zinc/05/75/75/386057575.db2.gz UVOQHWZQQULZFA-JTQLQIEISA-N 2 2 239.323 0.132 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H](C)C[NH+](C)C)c[nH+]1 ZINC000287349206 386114993 /nfs/dbraw/zinc/11/49/93/386114993.db2.gz ZMCIKTDKYSAAIT-ZETCQYMHSA-N 2 2 210.281 0.398 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N[C@H](C)CC[NH3+] ZINC000415379782 386068477 /nfs/dbraw/zinc/06/84/77/386068477.db2.gz FSSKZKIBPZBFOL-SECBINFHSA-N 2 2 222.292 0.671 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H](C)C[NH3+] ZINC000415385849 386071607 /nfs/dbraw/zinc/07/16/07/386071607.db2.gz OQQOOITUZYHAAK-QMMMGPOBSA-N 2 2 222.292 0.528 20 0 BCADLP COC(=O)c1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)[nH]1 ZINC000414886158 386072795 /nfs/dbraw/zinc/07/27/95/386072795.db2.gz HEYZXFSDIMNGLO-SNVBAGLBSA-N 2 2 237.303 0.628 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)NCC[C@H](C)[NH3+] ZINC000415392379 386073355 /nfs/dbraw/zinc/07/33/55/386073355.db2.gz XVDYJEFGMLFAII-VIFPVBQESA-N 2 2 222.292 0.671 20 0 BCADLP Cc1cc(NC(=O)NC[C@H]([NH3+])C(C)C)cc[nH+]1 ZINC000415392575 386074267 /nfs/dbraw/zinc/07/42/67/386074267.db2.gz JAPSCAPFGXPSSI-NSHDSACASA-N 2 2 236.319 0.917 20 0 BCADLP Cc1[nH+]ccn1CCN1CC[N@H+](C)C[C@@H]1C ZINC000334451042 386088985 /nfs/dbraw/zinc/08/89/85/386088985.db2.gz UOFFRXHVJHRLKX-NSHDSACASA-N 2 2 222.336 0.827 20 0 BCADLP COC(=O)[C@H]1CC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414676135 386149931 /nfs/dbraw/zinc/14/99/31/386149931.db2.gz MYIYWQICXHXEQO-WDEREUQCSA-N 2 2 228.336 0.855 20 0 BCADLP COC(=O)[C@H]1CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414676135 386149936 /nfs/dbraw/zinc/14/99/36/386149936.db2.gz MYIYWQICXHXEQO-WDEREUQCSA-N 2 2 228.336 0.855 20 0 BCADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H]3CCC[C@H]32)CC1 ZINC000334472231 386150384 /nfs/dbraw/zinc/15/03/84/386150384.db2.gz KGIGWGVXSKOCDI-VXGBXAGGSA-N 2 2 237.347 0.245 20 0 BCADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@H]3CCC[C@H]32)CC1 ZINC000334472231 386150388 /nfs/dbraw/zinc/15/03/88/386150388.db2.gz KGIGWGVXSKOCDI-VXGBXAGGSA-N 2 2 237.347 0.245 20 0 BCADLP CCOC[C@H](C)[NH2+]CC[NH2+]CCOC ZINC000414893390 386162222 /nfs/dbraw/zinc/16/22/22/386162222.db2.gz YFTJQRUAGHGDSZ-JTQLQIEISA-N 2 2 204.314 0.237 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000414689500 386178460 /nfs/dbraw/zinc/17/84/60/386178460.db2.gz FSYUYSVBWBOYCZ-CHWSQXEVSA-N 2 2 244.379 0.833 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000414689500 386178467 /nfs/dbraw/zinc/17/84/67/386178467.db2.gz FSYUYSVBWBOYCZ-CHWSQXEVSA-N 2 2 244.379 0.833 20 0 BCADLP O=C(CCc1[nH]cc[nH+]1)NCC[N@H+]1CC=CCC1 ZINC000288338176 386188579 /nfs/dbraw/zinc/18/85/79/386188579.db2.gz UVHQQILQUIVPBG-UHFFFAOYSA-N 2 2 248.330 0.720 20 0 BCADLP O=C(CCc1[nH]cc[nH+]1)NCC[N@@H+]1CC=CCC1 ZINC000288338176 386188584 /nfs/dbraw/zinc/18/85/84/386188584.db2.gz UVHQQILQUIVPBG-UHFFFAOYSA-N 2 2 248.330 0.720 20 0 BCADLP COC[C@H](CC(C)C)[NH2+][C@H]1CC[NH2+]C1 ZINC000414891311 386139377 /nfs/dbraw/zinc/13/93/77/386139377.db2.gz WONXUSNUBPIFDQ-QWRGUYRKSA-N 2 2 200.326 0.999 20 0 BCADLP COC[C@@H](CC(C)C)[NH2+][C@H]1CC[NH2+]C1 ZINC000414891312 386139994 /nfs/dbraw/zinc/13/99/94/386139994.db2.gz WONXUSNUBPIFDQ-WDEREUQCSA-N 2 2 200.326 0.999 20 0 BCADLP CNC(=O)[C@H]1CCCC[N@@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414674583 386142424 /nfs/dbraw/zinc/14/24/24/386142424.db2.gz KSCQNTXLDMDKBP-NWDGAFQWSA-N 2 2 241.379 0.960 20 0 BCADLP CNC(=O)[C@H]1CCCC[N@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414674583 386142429 /nfs/dbraw/zinc/14/24/29/386142429.db2.gz KSCQNTXLDMDKBP-NWDGAFQWSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@@H]1C[N@H+](CC(C)(C)[NH3+])C[C@H]1N1CCOCC1 ZINC000346980575 386203096 /nfs/dbraw/zinc/20/30/96/386203096.db2.gz LZZJIFJLCJDXJO-VXGBXAGGSA-N 2 2 241.379 0.376 20 0 BCADLP C[C@@H]1C[N@@H+](CC(C)(C)[NH3+])C[C@H]1N1CCOCC1 ZINC000346980575 386203098 /nfs/dbraw/zinc/20/30/98/386203098.db2.gz LZZJIFJLCJDXJO-VXGBXAGGSA-N 2 2 241.379 0.376 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cnc3cnccn23)C1 ZINC000347128325 386237359 /nfs/dbraw/zinc/23/73/59/386237359.db2.gz PGLQCZLEOSVFDM-LLVKDONJSA-N 2 2 245.330 0.771 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000347128325 386237362 /nfs/dbraw/zinc/23/73/62/386237362.db2.gz PGLQCZLEOSVFDM-LLVKDONJSA-N 2 2 245.330 0.771 20 0 BCADLP CCCCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000118000412 386240620 /nfs/dbraw/zinc/24/06/20/386240620.db2.gz UJKAMALAPWHOFY-UHFFFAOYSA-N 2 2 241.379 0.882 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc2c(c1)nnn2C ZINC000347090391 386245253 /nfs/dbraw/zinc/24/52/53/386245253.db2.gz FYQJAQKBJPVXGI-VIFPVBQESA-N 2 2 233.319 0.747 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc2c(c1)nnn2C ZINC000347090391 386245256 /nfs/dbraw/zinc/24/52/56/386245256.db2.gz FYQJAQKBJPVXGI-VIFPVBQESA-N 2 2 233.319 0.747 20 0 BCADLP C[NH+](C)CC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000263907189 386191437 /nfs/dbraw/zinc/19/14/37/386191437.db2.gz SLSYCXCIARAEOX-UHFFFAOYSA-N 2 2 236.319 0.397 20 0 BCADLP CC[C@@H](C(=O)N(C)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC000338971432 386192349 /nfs/dbraw/zinc/19/23/49/386192349.db2.gz GFCFWMWWDRTVTC-VIFPVBQESA-N 2 2 224.308 0.708 20 0 BCADLP Cc1n[nH]c([C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000647988412 386304175 /nfs/dbraw/zinc/30/41/75/386304175.db2.gz FWXPFLOVJSKIIA-VXGBXAGGSA-N 2 2 249.362 0.902 20 0 BCADLP Cc1n[nH]c([C@@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000647988412 386304179 /nfs/dbraw/zinc/30/41/79/386304179.db2.gz FWXPFLOVJSKIIA-VXGBXAGGSA-N 2 2 249.362 0.902 20 0 BCADLP Cc1nc([C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000647988412 386304183 /nfs/dbraw/zinc/30/41/83/386304183.db2.gz FWXPFLOVJSKIIA-VXGBXAGGSA-N 2 2 249.362 0.902 20 0 BCADLP Cc1nc([C@@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000647988412 386304187 /nfs/dbraw/zinc/30/41/87/386304187.db2.gz FWXPFLOVJSKIIA-VXGBXAGGSA-N 2 2 249.362 0.902 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](O)C1 ZINC000289486595 386312800 /nfs/dbraw/zinc/31/28/00/386312800.db2.gz CEGLNSNZYBXIIO-LLVKDONJSA-N 2 2 209.293 0.419 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](O)C1 ZINC000289486595 386312808 /nfs/dbraw/zinc/31/28/08/386312808.db2.gz CEGLNSNZYBXIIO-LLVKDONJSA-N 2 2 209.293 0.419 20 0 BCADLP COC(=O)[C@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000289510089 386319659 /nfs/dbraw/zinc/31/96/59/386319659.db2.gz FKANLYWFZDONIO-LLVKDONJSA-N 2 2 237.303 0.600 20 0 BCADLP COC(=O)[C@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000289510089 386319666 /nfs/dbraw/zinc/31/96/66/386319666.db2.gz FKANLYWFZDONIO-LLVKDONJSA-N 2 2 237.303 0.600 20 0 BCADLP Cn1cc[nH+]c1CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000347165179 386266581 /nfs/dbraw/zinc/26/65/81/386266581.db2.gz JQTINXDDKRUUME-NSHDSACASA-N 2 2 220.320 0.746 20 0 BCADLP Cc1cc[nH+]cc1CCC[N@@H+](C)CC(N)=O ZINC000289155994 386269134 /nfs/dbraw/zinc/26/91/34/386269134.db2.gz QORANXWIZFYNCM-UHFFFAOYSA-N 2 2 221.304 0.740 20 0 BCADLP Cc1cc[nH+]cc1CCC[N@H+](C)CC(N)=O ZINC000289155994 386269139 /nfs/dbraw/zinc/26/91/39/386269139.db2.gz QORANXWIZFYNCM-UHFFFAOYSA-N 2 2 221.304 0.740 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)CCc1c[nH]nn1 ZINC000647969967 386273878 /nfs/dbraw/zinc/27/38/78/386273878.db2.gz ZWWVXYWBAVAGPQ-UHFFFAOYSA-N 2 2 234.307 0.566 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)CCc1c[nH]nn1 ZINC000647969967 386273881 /nfs/dbraw/zinc/27/38/81/386273881.db2.gz ZWWVXYWBAVAGPQ-UHFFFAOYSA-N 2 2 234.307 0.566 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)CCc1cn[nH]n1 ZINC000647969967 386273885 /nfs/dbraw/zinc/27/38/85/386273885.db2.gz ZWWVXYWBAVAGPQ-UHFFFAOYSA-N 2 2 234.307 0.566 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)CCc1cn[nH]n1 ZINC000647969967 386273886 /nfs/dbraw/zinc/27/38/86/386273886.db2.gz ZWWVXYWBAVAGPQ-UHFFFAOYSA-N 2 2 234.307 0.566 20 0 BCADLP Cc1cc[nH+]cc1N1CC[NH+](C[C@@H](C)O)CC1 ZINC000339154808 386274434 /nfs/dbraw/zinc/27/44/34/386274434.db2.gz NFTTUAHXTLGDGL-GFCCVEGCSA-N 2 2 235.331 0.893 20 0 BCADLP COC[C@@H]1CC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000339290052 386342731 /nfs/dbraw/zinc/34/27/31/386342731.db2.gz HSVKYEVIHCUWRB-RYUDHWBXSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@@H]1CC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000339290052 386342739 /nfs/dbraw/zinc/34/27/39/386342739.db2.gz HSVKYEVIHCUWRB-RYUDHWBXSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@@H]1CC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000339290052 386342756 /nfs/dbraw/zinc/34/27/56/386342756.db2.gz HSVKYEVIHCUWRB-RYUDHWBXSA-N 2 2 228.336 0.162 20 0 BCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000290052638 386386804 /nfs/dbraw/zinc/38/68/04/386386804.db2.gz HGPBDLWLPNGNIK-NXEZZACHSA-N 2 2 236.319 0.722 20 0 BCADLP CCC[C@@]1(C)C(=O)NCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647989699 386361713 /nfs/dbraw/zinc/36/17/13/386361713.db2.gz YYZPENTVOOFJQT-AAEUAGOBSA-N 2 2 239.363 0.587 20 0 BCADLP CCC[C@@]1(C)C(=O)NCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647989699 386361714 /nfs/dbraw/zinc/36/17/14/386361714.db2.gz YYZPENTVOOFJQT-AAEUAGOBSA-N 2 2 239.363 0.587 20 0 BCADLP CCC[C@H]1C(=O)NCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647989603 386361855 /nfs/dbraw/zinc/36/18/55/386361855.db2.gz LEJSNZOOMDDVBV-QWRGUYRKSA-N 2 2 225.336 0.196 20 0 BCADLP CCC[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647989603 386361858 /nfs/dbraw/zinc/36/18/58/386361858.db2.gz LEJSNZOOMDDVBV-QWRGUYRKSA-N 2 2 225.336 0.196 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCNC2=O)C1 ZINC000336719582 386449689 /nfs/dbraw/zinc/44/96/89/386449689.db2.gz XYHLWLVEKLOJJZ-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCNC2=O)C1 ZINC000336719582 386449694 /nfs/dbraw/zinc/44/96/94/386449694.db2.gz XYHLWLVEKLOJJZ-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC000336719582 386449698 /nfs/dbraw/zinc/44/96/98/386449698.db2.gz XYHLWLVEKLOJJZ-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC000336719582 386449702 /nfs/dbraw/zinc/44/97/02/386449702.db2.gz XYHLWLVEKLOJJZ-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP C[N@@H+]1CCN(CC[NH+]2CCOCC2)C(C)(C)C1 ZINC000347558489 386449775 /nfs/dbraw/zinc/44/97/75/386449775.db2.gz CGEXNZARIHNFBM-UHFFFAOYSA-N 2 2 241.379 0.345 20 0 BCADLP C[N@H+]1CCN(CC[NH+]2CCOCC2)C(C)(C)C1 ZINC000347558489 386449781 /nfs/dbraw/zinc/44/97/81/386449781.db2.gz CGEXNZARIHNFBM-UHFFFAOYSA-N 2 2 241.379 0.345 20 0 BCADLP COCc1cccc(C[N@H+](CC[NH3+])CCO)c1 ZINC000414907847 386393622 /nfs/dbraw/zinc/39/36/22/386393622.db2.gz DOQNFCMHFFJRKV-UHFFFAOYSA-N 2 2 238.331 0.586 20 0 BCADLP COCc1cccc(C[N@@H+](CC[NH3+])CCO)c1 ZINC000414907847 386393624 /nfs/dbraw/zinc/39/36/24/386393624.db2.gz DOQNFCMHFFJRKV-UHFFFAOYSA-N 2 2 238.331 0.586 20 0 BCADLP CCCN1CCC[N@H+](C[C@@H]2CC[NH2+]C2)CC1=O ZINC000647990836 386394143 /nfs/dbraw/zinc/39/41/43/386394143.db2.gz LTLBKNZDPTVAED-GFCCVEGCSA-N 2 2 239.363 0.540 20 0 BCADLP CCCN1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)CC1=O ZINC000647990836 386394148 /nfs/dbraw/zinc/39/41/48/386394148.db2.gz LTLBKNZDPTVAED-GFCCVEGCSA-N 2 2 239.363 0.540 20 0 BCADLP Cn1nccc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000335279640 386395546 /nfs/dbraw/zinc/39/55/46/386395546.db2.gz JGKHXQXYXQXVKD-GHMZBOCLSA-N 2 2 208.309 0.780 20 0 BCADLP CC[N@H+](CCCn1cc[nH+]c1)CCOCCO ZINC000282199437 386396572 /nfs/dbraw/zinc/39/65/72/386396572.db2.gz XBFZVPSUZRQEMQ-UHFFFAOYSA-N 2 2 241.335 0.604 20 0 BCADLP CC[N@@H+](CCCn1cc[nH+]c1)CCOCCO ZINC000282199437 386396576 /nfs/dbraw/zinc/39/65/76/386396576.db2.gz XBFZVPSUZRQEMQ-UHFFFAOYSA-N 2 2 241.335 0.604 20 0 BCADLP CC[C@H](Cn1cncn1)[NH2+]CC[N@H+](C)CC ZINC000336732452 386397011 /nfs/dbraw/zinc/39/70/11/386397011.db2.gz JOIVSZYVQHKEJH-LLVKDONJSA-N 2 2 225.340 0.598 20 0 BCADLP CC[C@H](Cn1cncn1)[NH2+]CC[N@@H+](C)CC ZINC000336732452 386397014 /nfs/dbraw/zinc/39/70/14/386397014.db2.gz JOIVSZYVQHKEJH-LLVKDONJSA-N 2 2 225.340 0.598 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000277041202 386399474 /nfs/dbraw/zinc/39/94/74/386399474.db2.gz KEHIBJKSLJVADF-VHSXEESVSA-N 2 2 246.314 0.934 20 0 BCADLP Cc1noc([C@@H]2CCC[N@@H+](C[C@H](C)[NH3+])C2)n1 ZINC000442659506 386409459 /nfs/dbraw/zinc/40/94/59/386409459.db2.gz BSNUGIBHRLLZLS-WCBMZHEXSA-N 2 2 224.308 0.905 20 0 BCADLP Cc1noc([C@@H]2CCC[N@H+](C[C@H](C)[NH3+])C2)n1 ZINC000442659506 386409462 /nfs/dbraw/zinc/40/94/62/386409462.db2.gz BSNUGIBHRLLZLS-WCBMZHEXSA-N 2 2 224.308 0.905 20 0 BCADLP CCCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000442663895 386412046 /nfs/dbraw/zinc/41/20/46/386412046.db2.gz UTGSIRMTCRJXJV-GHMZBOCLSA-N 2 2 227.352 0.714 20 0 BCADLP CCCC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000442663895 386412054 /nfs/dbraw/zinc/41/20/54/386412054.db2.gz UTGSIRMTCRJXJV-GHMZBOCLSA-N 2 2 227.352 0.714 20 0 BCADLP COC(=O)c1ccc(C[N@H+](C)C2CC([NH3+])C2)[nH]1 ZINC000414766578 386435947 /nfs/dbraw/zinc/43/59/47/386435947.db2.gz DYJZWSMSJFXMAR-UHFFFAOYSA-N 2 2 237.303 0.723 20 0 BCADLP COC(=O)c1ccc(C[N@@H+](C)C2CC([NH3+])C2)[nH]1 ZINC000414766578 386435953 /nfs/dbraw/zinc/43/59/53/386435953.db2.gz DYJZWSMSJFXMAR-UHFFFAOYSA-N 2 2 237.303 0.723 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+][C@H](C)C[NH+](C)C ZINC000336742675 386483727 /nfs/dbraw/zinc/48/37/27/386483727.db2.gz XKNUKOWFEORKMY-NXEZZACHSA-N 2 2 215.341 0.393 20 0 BCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC[NH+](C)C ZINC000336779065 386484466 /nfs/dbraw/zinc/48/44/66/386484466.db2.gz NCGXUHAOSVNQFW-LLVKDONJSA-N 2 2 229.368 0.785 20 0 BCADLP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000335432394 386489717 /nfs/dbraw/zinc/48/97/17/386489717.db2.gz FZXJFVSKMYVFRY-PWSUYJOCSA-N 2 2 236.319 0.934 20 0 BCADLP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000335432394 386489721 /nfs/dbraw/zinc/48/97/21/386489721.db2.gz FZXJFVSKMYVFRY-PWSUYJOCSA-N 2 2 236.319 0.934 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+]CC1([NH+](C)C)CC1 ZINC000417351282 386490542 /nfs/dbraw/zinc/49/05/42/386490542.db2.gz BYUSEHRMYCIJBE-LLVKDONJSA-N 2 2 222.336 0.955 20 0 BCADLP C[C@@H](C[NH3+])N(C)C(=O)CCn1cc[nH+]c1 ZINC000262610094 386498420 /nfs/dbraw/zinc/49/84/20/386498420.db2.gz VPNIUCHKYAADOJ-VIFPVBQESA-N 2 2 210.281 0.079 20 0 BCADLP C[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H]1CCOC1 ZINC000135265159 386499370 /nfs/dbraw/zinc/49/93/70/386499370.db2.gz UCVGDIHJOXDKDD-QMMMGPOBSA-N 2 2 240.307 0.484 20 0 BCADLP C[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H]1CCOC1 ZINC000135265159 386499376 /nfs/dbraw/zinc/49/93/76/386499376.db2.gz UCVGDIHJOXDKDD-QMMMGPOBSA-N 2 2 240.307 0.484 20 0 BCADLP C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415029806 386516445 /nfs/dbraw/zinc/51/64/45/386516445.db2.gz CYCXECXCGNGSMT-KYTCRMMBSA-N 3 2 235.375 0.715 20 0 BCADLP Cc1cn[nH]c1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000335448793 386517313 /nfs/dbraw/zinc/51/73/13/386517313.db2.gz SOJOAZUDKUEHDJ-SNVBAGLBSA-N 2 2 208.309 0.889 20 0 BCADLP Cc1cn[nH]c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000335448793 386517318 /nfs/dbraw/zinc/51/73/18/386517318.db2.gz SOJOAZUDKUEHDJ-SNVBAGLBSA-N 2 2 208.309 0.889 20 0 BCADLP Cc1c[nH]nc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000335448793 386517322 /nfs/dbraw/zinc/51/73/22/386517322.db2.gz SOJOAZUDKUEHDJ-SNVBAGLBSA-N 2 2 208.309 0.889 20 0 BCADLP Cc1c[nH]nc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000335448793 386517326 /nfs/dbraw/zinc/51/73/26/386517326.db2.gz SOJOAZUDKUEHDJ-SNVBAGLBSA-N 2 2 208.309 0.889 20 0 BCADLP Cc1cn[nH]c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000335449146 386518077 /nfs/dbraw/zinc/51/80/77/386518077.db2.gz VZLBNUHJATURER-VHSXEESVSA-N 2 2 208.309 0.887 20 0 BCADLP Cc1cn[nH]c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000335449146 386518079 /nfs/dbraw/zinc/51/80/79/386518079.db2.gz VZLBNUHJATURER-VHSXEESVSA-N 2 2 208.309 0.887 20 0 BCADLP Cc1c[nH]nc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000335449146 386518081 /nfs/dbraw/zinc/51/80/81/386518081.db2.gz VZLBNUHJATURER-VHSXEESVSA-N 2 2 208.309 0.887 20 0 BCADLP Cc1c[nH]nc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000335449146 386518085 /nfs/dbraw/zinc/51/80/85/386518085.db2.gz VZLBNUHJATURER-VHSXEESVSA-N 2 2 208.309 0.887 20 0 BCADLP C[C@@]1(C[NH+]2CCC3(CC[NH2+]3)CC2)CC[NH2+]C1 ZINC000335448799 386518155 /nfs/dbraw/zinc/51/81/55/386518155.db2.gz SUSTVBYCZIGXFT-GFCCVEGCSA-N 3 2 223.364 0.814 20 0 BCADLP Cc1c[nH]nc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000335449342 386518920 /nfs/dbraw/zinc/51/89/20/386518920.db2.gz ZNQXNYPYWAQSEO-WDEREUQCSA-N 2 2 220.320 0.902 20 0 BCADLP Cc1c[nH]nc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000335449342 386518927 /nfs/dbraw/zinc/51/89/27/386518927.db2.gz ZNQXNYPYWAQSEO-WDEREUQCSA-N 2 2 220.320 0.902 20 0 BCADLP Cc1ccc2ncc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)n2c1 ZINC000415033922 386521260 /nfs/dbraw/zinc/52/12/60/386521260.db2.gz JBPZFSHEOGPOJC-IMRBUKKESA-N 2 2 242.326 0.950 20 0 BCADLP Cc1ccc2[nH+]cc(CN[C@@H]3[C@H]4C[NH2+]C[C@H]43)n2c1 ZINC000415033922 386521263 /nfs/dbraw/zinc/52/12/63/386521263.db2.gz JBPZFSHEOGPOJC-IMRBUKKESA-N 2 2 242.326 0.950 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CNc3ccnn3C2)C1 ZINC000648043833 386525407 /nfs/dbraw/zinc/52/54/07/386525407.db2.gz ISRIPMYCURAOFO-VXGBXAGGSA-N 2 2 249.362 0.609 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CNc3ccnn3C2)C1 ZINC000648043833 386525411 /nfs/dbraw/zinc/52/54/11/386525411.db2.gz ISRIPMYCURAOFO-VXGBXAGGSA-N 2 2 249.362 0.609 20 0 BCADLP C[C@H](CC[NH+](C)C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000277683444 386459569 /nfs/dbraw/zinc/45/95/69/386459569.db2.gz NEFVIWIRZUTGCP-ORAHPGNNSA-N 2 2 236.319 0.879 20 0 BCADLP C[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+]2)c2ccccc2C1 ZINC000335411495 386575838 /nfs/dbraw/zinc/57/58/38/386575838.db2.gz GARTXDROTJJPLI-GFCCVEGCSA-N 2 2 245.326 0.827 20 0 BCADLP C[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]2)c2ccccc2C1 ZINC000335411495 386575844 /nfs/dbraw/zinc/57/58/44/386575844.db2.gz GARTXDROTJJPLI-GFCCVEGCSA-N 2 2 245.326 0.827 20 0 BCADLP CC(C)N1CC[C@H]([NH2+]CC[NH2+]C(C)(C)C)C1=O ZINC000415080040 386583047 /nfs/dbraw/zinc/58/30/47/386583047.db2.gz IQECIWBYBSCMHS-NSHDSACASA-N 2 2 241.379 0.973 20 0 BCADLP CCCC[N@H+](CCOC)Cc1noc(C[NH3+])n1 ZINC000337075909 386592368 /nfs/dbraw/zinc/59/23/68/386592368.db2.gz QMKJRLGIDUYXPJ-UHFFFAOYSA-N 2 2 242.323 0.777 20 0 BCADLP CCCC[N@@H+](CCOC)Cc1noc(C[NH3+])n1 ZINC000337075909 386592376 /nfs/dbraw/zinc/59/23/76/386592376.db2.gz QMKJRLGIDUYXPJ-UHFFFAOYSA-N 2 2 242.323 0.777 20 0 BCADLP Cn1nccc1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000415045306 386532101 /nfs/dbraw/zinc/53/21/01/386532101.db2.gz BLRZWEGSNOYKAE-JTQLQIEISA-N 2 2 210.325 0.883 20 0 BCADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cnc(N(C)C)nc1 ZINC000414802802 386597187 /nfs/dbraw/zinc/59/71/87/386597187.db2.gz VYAVVWXEVIWPIM-NSHDSACASA-N 2 2 237.351 0.616 20 0 BCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000519774489 386553937 /nfs/dbraw/zinc/55/39/37/386553937.db2.gz RWSXZAXUDBZXLJ-IUCAKERBSA-N 2 2 239.323 0.345 20 0 BCADLP CC(C)C[C@H]([NH3+])C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414794718 386560200 /nfs/dbraw/zinc/56/02/00/386560200.db2.gz MAGNEDJUYKECDJ-ZDUSSCGKSA-N 3 2 242.411 0.245 20 0 BCADLP CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415071843 386563775 /nfs/dbraw/zinc/56/37/75/386563775.db2.gz LAATYLDXYGCOLX-MNOVXSKESA-N 2 2 248.392 0.541 20 0 BCADLP CCn1cc[nH+]c1CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000414924227 386620756 /nfs/dbraw/zinc/62/07/56/386620756.db2.gz ILMQUQONWFDACW-WDEREUQCSA-N 2 2 222.336 0.991 20 0 BCADLP COC(=O)[C@@H]1CSCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000415139244 386633440 /nfs/dbraw/zinc/63/34/40/386633440.db2.gz LGGQLSUDNIPTKG-VIFPVBQESA-N 2 2 246.376 0.562 20 0 BCADLP COC(=O)[C@@H]1CSCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000415139244 386633445 /nfs/dbraw/zinc/63/34/45/386633445.db2.gz LGGQLSUDNIPTKG-VIFPVBQESA-N 2 2 246.376 0.562 20 0 BCADLP CCCC[N@H+](CCO)Cc1noc(C[NH3+])n1 ZINC000337085976 386605115 /nfs/dbraw/zinc/60/51/15/386605115.db2.gz ZTXNQGIWGVNQQJ-UHFFFAOYSA-N 2 2 228.296 0.123 20 0 BCADLP CCCC[N@@H+](CCO)Cc1noc(C[NH3+])n1 ZINC000337085976 386605120 /nfs/dbraw/zinc/60/51/20/386605120.db2.gz ZTXNQGIWGVNQQJ-UHFFFAOYSA-N 2 2 228.296 0.123 20 0 BCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(CO)o1 ZINC000228726695 386605384 /nfs/dbraw/zinc/60/53/84/386605384.db2.gz LCHVWDYOVYSVJX-GFCCVEGCSA-N 2 2 242.319 0.174 20 0 BCADLP COCC(C)(C)C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415099798 386608350 /nfs/dbraw/zinc/60/83/50/386608350.db2.gz ZNKVBQJTXUTQBK-JTQLQIEISA-N 2 2 216.325 0.237 20 0 BCADLP CC[C@@H]1C[C@@H](C[NH2+]C[C@H]2C[NH2+]CCO2)CCO1 ZINC000415096202 386614904 /nfs/dbraw/zinc/61/49/04/386614904.db2.gz PHRWHFWBTYLQGN-YNEHKIRRSA-N 2 2 242.363 0.770 20 0 BCADLP CC[C@@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)[NH+](C)C ZINC000268744563 386691392 /nfs/dbraw/zinc/69/13/92/386691392.db2.gz DWZLWFUHIGBGAR-QWRGUYRKSA-N 2 2 238.335 0.728 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337278204 386699125 /nfs/dbraw/zinc/69/91/25/386699125.db2.gz SKMJEEUPPSPEEF-LBPRGKRZSA-N 2 2 241.379 0.881 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337278204 386699134 /nfs/dbraw/zinc/69/91/34/386699134.db2.gz SKMJEEUPPSPEEF-LBPRGKRZSA-N 2 2 241.379 0.881 20 0 BCADLP C[NH2+]CCNCc1cc(OC)cc(C)[nH+]1 ZINC000414828853 386700180 /nfs/dbraw/zinc/70/01/80/386700180.db2.gz LGGFQPRBVBJIQM-UHFFFAOYSA-N 2 2 209.293 0.708 20 0 BCADLP C[NH2+]CC[NH2+]Cc1cccc2c1NCC2 ZINC000414830338 386706166 /nfs/dbraw/zinc/70/61/66/386706166.db2.gz NXJGDQXLKUDYTD-UHFFFAOYSA-N 2 2 205.305 0.964 20 0 BCADLP C[C@@H]([NH3+])CC(=O)NCCNc1cccc[nH+]1 ZINC000645332767 386731834 /nfs/dbraw/zinc/73/18/34/386731834.db2.gz ZESNGHSQAWFVIK-SECBINFHSA-N 2 2 222.292 0.347 20 0 BCADLP COC[C@H](CO)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000279785148 386736956 /nfs/dbraw/zinc/73/69/56/386736956.db2.gz LQJRWNJZTITOHD-JTQLQIEISA-N 2 2 235.287 0.431 20 0 BCADLP CCOCC[N@H+](C)CCc1c[nH+]cn1C ZINC000639559941 386714058 /nfs/dbraw/zinc/71/40/58/386714058.db2.gz WVBIYTYKSVVKAJ-UHFFFAOYSA-N 2 2 211.309 0.931 20 0 BCADLP CCOCC[N@@H+](C)CCc1c[nH+]cn1C ZINC000639559941 386714066 /nfs/dbraw/zinc/71/40/66/386714066.db2.gz WVBIYTYKSVVKAJ-UHFFFAOYSA-N 2 2 211.309 0.931 20 0 BCADLP CCn1nccc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414842686 386763778 /nfs/dbraw/zinc/76/37/78/386763778.db2.gz IZJWAPKCDJNVBU-JTQLQIEISA-N 2 2 208.309 0.745 20 0 BCADLP Cc1noc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000125291195 386791015 /nfs/dbraw/zinc/79/10/15/386791015.db2.gz RHCOBNMGNLQXJO-AXFHLTTASA-N 2 2 236.319 0.937 20 0 BCADLP Cc1noc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000125291195 386791018 /nfs/dbraw/zinc/79/10/18/386791018.db2.gz RHCOBNMGNLQXJO-AXFHLTTASA-N 2 2 236.319 0.937 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@H]1CCOC[C@@H]1C ZINC000192528095 386790993 /nfs/dbraw/zinc/79/09/93/386790993.db2.gz LCIXMTOKEBVGOZ-RYUDHWBXSA-N 2 2 230.352 0.579 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@H]1CCOC[C@@H]1C ZINC000192528095 386790997 /nfs/dbraw/zinc/79/09/97/386790997.db2.gz LCIXMTOKEBVGOZ-RYUDHWBXSA-N 2 2 230.352 0.579 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414935765 386817282 /nfs/dbraw/zinc/81/72/82/386817282.db2.gz UQOUWXNSYUPDGJ-IJLUTSLNSA-N 3 2 211.353 0.574 20 0 BCADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccnn1CC ZINC000414935179 386806105 /nfs/dbraw/zinc/80/61/05/386806105.db2.gz ATSNSGTZDQYPFT-SNVBAGLBSA-N 2 2 210.325 0.991 20 0 BCADLP CCOC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000414935538 386807704 /nfs/dbraw/zinc/80/77/04/386807704.db2.gz UHBASUCLMZCAMF-GARJFASQSA-N 2 2 200.326 0.999 20 0 BCADLP CCOC[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000414935542 386809248 /nfs/dbraw/zinc/80/92/48/386809248.db2.gz UHBASUCLMZCAMF-VWYCJHECSA-N 2 2 200.326 0.999 20 0 BCADLP C[C@H](O)C[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336671075 386809611 /nfs/dbraw/zinc/80/96/11/386809611.db2.gz YYOAZBLPUXSUHA-VPOLOUISSA-N 2 2 200.326 0.686 20 0 BCADLP C[C@H](O)C[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336671075 386809613 /nfs/dbraw/zinc/80/96/13/386809613.db2.gz YYOAZBLPUXSUHA-VPOLOUISSA-N 2 2 200.326 0.686 20 0 BCADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cnn(C)n1 ZINC000293388333 386836129 /nfs/dbraw/zinc/83/61/29/386836129.db2.gz WUDXMUUUBVBNSA-UHFFFAOYSA-N 2 2 231.303 0.851 20 0 BCADLP CCN(C)C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000357734074 386836958 /nfs/dbraw/zinc/83/69/58/386836958.db2.gz RAJDNCRVYUIPIW-NWDGAFQWSA-N 2 2 241.379 0.879 20 0 BCADLP CCN(C)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000357734074 386836965 /nfs/dbraw/zinc/83/69/65/386836965.db2.gz RAJDNCRVYUIPIW-NWDGAFQWSA-N 2 2 241.379 0.879 20 0 BCADLP CCN(C)C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000357734074 386836972 /nfs/dbraw/zinc/83/69/72/386836972.db2.gz RAJDNCRVYUIPIW-NWDGAFQWSA-N 2 2 241.379 0.879 20 0 BCADLP CCN(C)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000357734074 386836976 /nfs/dbraw/zinc/83/69/76/386836976.db2.gz RAJDNCRVYUIPIW-NWDGAFQWSA-N 2 2 241.379 0.879 20 0 BCADLP CC(C)n1c[nH+]cc1C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000425338825 386838780 /nfs/dbraw/zinc/83/87/80/386838780.db2.gz QJCPAMFUYVBBGC-PWSUYJOCSA-N 2 2 239.319 0.392 20 0 BCADLP CC(C)n1c[nH+]cc1C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000425338825 386838786 /nfs/dbraw/zinc/83/87/86/386838786.db2.gz QJCPAMFUYVBBGC-PWSUYJOCSA-N 2 2 239.319 0.392 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330229268 386840090 /nfs/dbraw/zinc/84/00/90/386840090.db2.gz QAGKCDPNXJSWKA-LLVKDONJSA-N 2 2 248.330 0.995 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000330229268 386840099 /nfs/dbraw/zinc/84/00/99/386840099.db2.gz QAGKCDPNXJSWKA-LLVKDONJSA-N 2 2 248.330 0.995 20 0 BCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000414937338 386846736 /nfs/dbraw/zinc/84/67/36/386846736.db2.gz VMSBCZOJHXSBLZ-DCAQKATOSA-N 2 2 248.392 0.397 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414938784 386858619 /nfs/dbraw/zinc/85/86/19/386858619.db2.gz FIJJRDZQPUQFQB-SDDRHHMPSA-N 3 2 211.353 0.716 20 0 BCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccn1 ZINC000358226326 386914923 /nfs/dbraw/zinc/91/49/23/386914923.db2.gz DHXOEJSBVMDHCC-DGCLKSJQSA-N 2 2 235.331 0.799 20 0 BCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccn1 ZINC000358226326 386914925 /nfs/dbraw/zinc/91/49/25/386914925.db2.gz DHXOEJSBVMDHCC-DGCLKSJQSA-N 2 2 235.331 0.799 20 0 BCADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]C1CCOCC1 ZINC000358154593 386897454 /nfs/dbraw/zinc/89/74/54/386897454.db2.gz KXBHEAAQELQYFG-GFCCVEGCSA-N 2 2 242.363 0.866 20 0 BCADLP C[NH+]1CCC([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000341383491 386897757 /nfs/dbraw/zinc/89/77/57/386897757.db2.gz VPAZBYDMPRWHQB-GFCCVEGCSA-N 3 2 234.347 0.882 20 0 BCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cnn(C)c1 ZINC000330889838 386911402 /nfs/dbraw/zinc/91/14/02/386911402.db2.gz VQFORQQNXABONT-ZYHUDNBSSA-N 2 2 238.335 0.137 20 0 BCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cnn(C)c1 ZINC000330889838 386911405 /nfs/dbraw/zinc/91/14/05/386911405.db2.gz VQFORQQNXABONT-ZYHUDNBSSA-N 2 2 238.335 0.137 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)C1 ZINC000417393756 386922855 /nfs/dbraw/zinc/92/28/55/386922855.db2.gz COAPBMJCVCJOQT-KKOKHZNYSA-N 2 2 212.337 0.830 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)C1 ZINC000417393756 386922857 /nfs/dbraw/zinc/92/28/57/386922857.db2.gz COAPBMJCVCJOQT-KKOKHZNYSA-N 2 2 212.337 0.830 20 0 BCADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000332014262 386940361 /nfs/dbraw/zinc/94/03/61/386940361.db2.gz PZTSTOAHMCMOPG-IJLUTSLNSA-N 3 2 213.369 0.947 20 0 BCADLP Cc1cc(NC(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cc[nH+]1 ZINC000334823559 386953960 /nfs/dbraw/zinc/95/39/60/386953960.db2.gz JAESGNXNPLBEDH-GXSJLCMTSA-N 2 2 234.303 0.765 20 0 BCADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000191482110 386954805 /nfs/dbraw/zinc/95/48/05/386954805.db2.gz FRVPAYMLLTYZGC-LLVKDONJSA-N 2 2 227.352 0.668 20 0 BCADLP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000191482110 386954812 /nfs/dbraw/zinc/95/48/12/386954812.db2.gz FRVPAYMLLTYZGC-LLVKDONJSA-N 2 2 227.352 0.668 20 0 BCADLP Cc1cc(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc[nH+]1 ZINC000334826093 386958486 /nfs/dbraw/zinc/95/84/86/386958486.db2.gz RSABNMYZKYJOJW-SKDRFNHKSA-N 2 2 248.330 0.931 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000518978329 386967277 /nfs/dbraw/zinc/96/72/77/386967277.db2.gz MEBDCOUCYAGZHL-UWVGGRQHSA-N 2 2 209.297 0.008 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000341896918 386996250 /nfs/dbraw/zinc/99/62/50/386996250.db2.gz KZKMZCIIEHIYFC-QWRGUYRKSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000341896918 386996255 /nfs/dbraw/zinc/99/62/55/386996255.db2.gz KZKMZCIIEHIYFC-QWRGUYRKSA-N 2 2 239.363 0.857 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000334821294 386950502 /nfs/dbraw/zinc/95/05/02/386950502.db2.gz MJGCAJZLWXAPHC-JTQLQIEISA-N 2 2 234.303 0.638 20 0 BCADLP CC(=O)N1CCC([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000358411491 386952031 /nfs/dbraw/zinc/95/20/31/386952031.db2.gz YYEPDNDQJQSVSD-ZWNOBZJWSA-N 2 2 239.363 0.537 20 0 BCADLP CC(=O)N1CCC([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000358411491 386952035 /nfs/dbraw/zinc/95/20/35/386952035.db2.gz YYEPDNDQJQSVSD-ZWNOBZJWSA-N 2 2 239.363 0.537 20 0 BCADLP CO[C@@H]1CC[N@H+](CCOCC2CC2)[C@@H](C[NH3+])C1 ZINC000359050178 387049955 /nfs/dbraw/zinc/04/99/55/387049955.db2.gz XZJSWHHZXNWWEV-CHWSQXEVSA-N 2 2 242.363 0.851 20 0 BCADLP CO[C@@H]1CC[N@@H+](CCOCC2CC2)[C@@H](C[NH3+])C1 ZINC000359050178 387049958 /nfs/dbraw/zinc/04/99/58/387049958.db2.gz XZJSWHHZXNWWEV-CHWSQXEVSA-N 2 2 242.363 0.851 20 0 BCADLP CCn1c[nH+]cc1C[N@@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000418034095 387055949 /nfs/dbraw/zinc/05/59/49/387055949.db2.gz OCXGVCDMKCTHLX-TXEJJXNPSA-N 2 2 239.319 0.749 20 0 BCADLP CCn1c[nH+]cc1C[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000418034095 387055957 /nfs/dbraw/zinc/05/59/57/387055957.db2.gz OCXGVCDMKCTHLX-TXEJJXNPSA-N 2 2 239.319 0.749 20 0 BCADLP [NH3+][C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)c2ccccc21 ZINC000333854419 387061541 /nfs/dbraw/zinc/06/15/41/387061541.db2.gz QOUKPKPKKGJBLQ-AVGNSLFASA-N 2 2 245.326 0.999 20 0 BCADLP Cn1nnc2cc(C[NH2+][C@H]3CCC[NH2+]C3)ccc21 ZINC000333115069 387018069 /nfs/dbraw/zinc/01/80/69/387018069.db2.gz HEHFXYGOPYIMGL-NSHDSACASA-N 2 2 245.330 0.810 20 0 BCADLP C[C@@H](CO)[N@@H+]1CCCN(Cc2c[nH]c[nH+]2)CC1 ZINC000368966023 387022451 /nfs/dbraw/zinc/02/24/51/387022451.db2.gz MYVYDJYKAKQGPK-NSHDSACASA-N 2 2 238.335 0.298 20 0 BCADLP C[C@@H](CO)[N@H+]1CCCN(Cc2c[nH]c[nH+]2)CC1 ZINC000368966023 387022454 /nfs/dbraw/zinc/02/24/54/387022454.db2.gz MYVYDJYKAKQGPK-NSHDSACASA-N 2 2 238.335 0.298 20 0 BCADLP C[C@@H](CO)[N@@H+]1CCCN(Cc2c[nH+]c[nH]2)CC1 ZINC000368966023 387022459 /nfs/dbraw/zinc/02/24/59/387022459.db2.gz MYVYDJYKAKQGPK-NSHDSACASA-N 2 2 238.335 0.298 20 0 BCADLP C[C@@H](CO)[N@H+]1CCCN(Cc2c[nH+]c[nH]2)CC1 ZINC000368966023 387022464 /nfs/dbraw/zinc/02/24/64/387022464.db2.gz MYVYDJYKAKQGPK-NSHDSACASA-N 2 2 238.335 0.298 20 0 BCADLP COC[C@@H]1CC[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425367066 387024152 /nfs/dbraw/zinc/02/41/52/387024152.db2.gz GVBCNYMUVQYFCZ-JTQLQIEISA-N 2 2 238.335 0.707 20 0 BCADLP COC[C@@H]1CC[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425367066 387024156 /nfs/dbraw/zinc/02/41/56/387024156.db2.gz GVBCNYMUVQYFCZ-JTQLQIEISA-N 2 2 238.335 0.707 20 0 BCADLP O[C@@H]1CC[C@@H]2C[N@H+](CCn3cc[nH+]c3)C[C@@H]12 ZINC000228101271 387077219 /nfs/dbraw/zinc/07/72/19/387077219.db2.gz AJVJCGCVTHIMMM-IJLUTSLNSA-N 2 2 221.304 0.586 20 0 BCADLP O[C@@H]1CC[C@@H]2C[N@@H+](CCn3cc[nH+]c3)C[C@@H]12 ZINC000228101271 387077224 /nfs/dbraw/zinc/07/72/24/387077224.db2.gz AJVJCGCVTHIMMM-IJLUTSLNSA-N 2 2 221.304 0.586 20 0 BCADLP CN(CC1CC1)C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359274805 387077427 /nfs/dbraw/zinc/07/74/27/387077427.db2.gz KEGPELMESVAXLV-TXEJJXNPSA-N 2 2 237.347 0.006 20 0 BCADLP CN(CC1CC1)C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359274805 387077437 /nfs/dbraw/zinc/07/74/37/387077437.db2.gz KEGPELMESVAXLV-TXEJJXNPSA-N 2 2 237.347 0.006 20 0 BCADLP COCC[C@](C)(O)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336765513 387095199 /nfs/dbraw/zinc/09/51/99/387095199.db2.gz OCUBEPXFTQRVOB-SRVKXCTJSA-N 2 2 230.352 0.314 20 0 BCADLP COCC[C@](C)(O)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336765513 387095204 /nfs/dbraw/zinc/09/52/04/387095204.db2.gz OCUBEPXFTQRVOB-SRVKXCTJSA-N 2 2 230.352 0.314 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1c[nH+]ccc1N ZINC000127537568 387107170 /nfs/dbraw/zinc/10/71/70/387107170.db2.gz DDLCJZONJNREDQ-VIFPVBQESA-N 2 2 245.286 0.679 20 0 BCADLP CN(C)c1ncc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000359472037 387108064 /nfs/dbraw/zinc/10/80/64/387108064.db2.gz JRJRXYCWXSUGRS-TXEJJXNPSA-N 2 2 247.346 0.194 20 0 BCADLP CN(C)c1ncc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000359472037 387108066 /nfs/dbraw/zinc/10/80/66/387108066.db2.gz JRJRXYCWXSUGRS-TXEJJXNPSA-N 2 2 247.346 0.194 20 0 BCADLP C[NH+](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000370427543 387117072 /nfs/dbraw/zinc/11/70/72/387117072.db2.gz GPNAFBYBENSIQY-JTQLQIEISA-N 2 2 236.319 0.123 20 0 BCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071147657 387120052 /nfs/dbraw/zinc/12/00/52/387120052.db2.gz FBOJFJNDTFMDOD-VXGBXAGGSA-N 2 2 241.379 0.833 20 0 BCADLP CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071147657 387120056 /nfs/dbraw/zinc/12/00/56/387120056.db2.gz FBOJFJNDTFMDOD-VXGBXAGGSA-N 2 2 241.379 0.833 20 0 BCADLP Cc1c[nH+]ccc1NCCC[N@@H+]1CCNC(=O)C1 ZINC000359575978 387125391 /nfs/dbraw/zinc/12/53/91/387125391.db2.gz ADHBDGRVYUAFDM-UHFFFAOYSA-N 2 2 248.330 0.046 20 0 BCADLP Cc1c[nH+]ccc1NCCC[N@H+]1CCNC(=O)C1 ZINC000359575978 387125394 /nfs/dbraw/zinc/12/53/94/387125394.db2.gz ADHBDGRVYUAFDM-UHFFFAOYSA-N 2 2 248.330 0.046 20 0 BCADLP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000459631761 387143889 /nfs/dbraw/zinc/14/38/89/387143889.db2.gz KLWVTZMEPKAZAJ-UPJWGTAASA-N 2 2 242.363 0.864 20 0 BCADLP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC000459631761 387143894 /nfs/dbraw/zinc/14/38/94/387143894.db2.gz KLWVTZMEPKAZAJ-UPJWGTAASA-N 2 2 242.363 0.864 20 0 BCADLP CC[C@@H](Cn1cncn1)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000353392448 387192538 /nfs/dbraw/zinc/19/25/38/387192538.db2.gz ZMRABSWNHLZKFV-NEPJUHHUSA-N 2 2 248.334 0.932 20 0 BCADLP C[NH+]1CCC([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000353258077 387166602 /nfs/dbraw/zinc/16/66/02/387166602.db2.gz ZKWWEFAQDGHCSA-LLVKDONJSA-N 3 2 234.347 0.951 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423331646 387175228 /nfs/dbraw/zinc/17/52/28/387175228.db2.gz CQORYPTUMLARAO-FZMZJTMJSA-N 3 2 235.375 0.978 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423331646 387175229 /nfs/dbraw/zinc/17/52/29/387175229.db2.gz CQORYPTUMLARAO-FZMZJTMJSA-N 3 2 235.375 0.978 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ncnn1C ZINC000353336869 387183155 /nfs/dbraw/zinc/18/31/55/387183155.db2.gz OXCVGWITQIDREW-GARJFASQSA-N 2 2 237.351 0.948 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ncnn1C ZINC000353336869 387183158 /nfs/dbraw/zinc/18/31/58/387183158.db2.gz OXCVGWITQIDREW-GARJFASQSA-N 2 2 237.351 0.948 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ncnn1C ZINC000353336871 387183585 /nfs/dbraw/zinc/18/35/85/387183585.db2.gz OXCVGWITQIDREW-VWYCJHECSA-N 2 2 237.351 0.948 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ncnn1C ZINC000353336871 387183586 /nfs/dbraw/zinc/18/35/86/387183586.db2.gz OXCVGWITQIDREW-VWYCJHECSA-N 2 2 237.351 0.948 20 0 BCADLP CN(CCC[NH+]1CCOCC1)[C@@H](C[NH3+])C1CC1 ZINC000359893337 387185827 /nfs/dbraw/zinc/18/58/27/387185827.db2.gz CBISZYDIAFJHHP-ZDUSSCGKSA-N 2 2 241.379 0.378 20 0 BCADLP C[N@H+](CC1CC1)C1CC[NH+](CCO)CC1 ZINC000353361302 387187082 /nfs/dbraw/zinc/18/70/82/387187082.db2.gz SWPXTLGVDRHRMR-UHFFFAOYSA-N 2 2 212.337 0.785 20 0 BCADLP C[N@@H+](CC1CC1)C1CC[NH+](CCO)CC1 ZINC000353361302 387187087 /nfs/dbraw/zinc/18/70/87/387187087.db2.gz SWPXTLGVDRHRMR-UHFFFAOYSA-N 2 2 212.337 0.785 20 0 BCADLP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000423352260 387202156 /nfs/dbraw/zinc/20/21/56/387202156.db2.gz AENIPDFTCZXPMM-IJLUTSLNSA-N 3 2 211.353 0.859 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCCCO)C[N@@H+]1C1CC1 ZINC000193280314 387204466 /nfs/dbraw/zinc/20/44/66/387204466.db2.gz YWOBIYOIRABWFP-MNOVXSKESA-N 2 2 212.337 0.974 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCCCO)C[N@H+]1C1CC1 ZINC000193280314 387204469 /nfs/dbraw/zinc/20/44/69/387204469.db2.gz YWOBIYOIRABWFP-MNOVXSKESA-N 2 2 212.337 0.974 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCOC(C)(C)[C@H]1C ZINC000571937235 387205288 /nfs/dbraw/zinc/20/52/88/387205288.db2.gz PSILQMWVRJBXCE-VXGBXAGGSA-N 2 2 244.379 0.798 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCOC(C)(C)[C@H]1C ZINC000571937235 387205291 /nfs/dbraw/zinc/20/52/91/387205291.db2.gz PSILQMWVRJBXCE-VXGBXAGGSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000571937235 387205297 /nfs/dbraw/zinc/20/52/97/387205297.db2.gz PSILQMWVRJBXCE-VXGBXAGGSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000571937235 387205302 /nfs/dbraw/zinc/20/53/02/387205302.db2.gz PSILQMWVRJBXCE-VXGBXAGGSA-N 2 2 244.379 0.798 20 0 BCADLP CO[C@H](C)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000360002320 387206238 /nfs/dbraw/zinc/20/62/38/387206238.db2.gz DZQHPEILMFFDEK-LLVKDONJSA-N 2 2 230.352 0.410 20 0 BCADLP CO[C@H](C)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000360002320 387206246 /nfs/dbraw/zinc/20/62/46/387206246.db2.gz DZQHPEILMFFDEK-LLVKDONJSA-N 2 2 230.352 0.410 20 0 BCADLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423359893 387213148 /nfs/dbraw/zinc/21/31/48/387213148.db2.gz PVKGBIJJVHFCRU-TUAOUCFPSA-N 3 2 211.353 0.716 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423367891 387222066 /nfs/dbraw/zinc/22/20/66/387222066.db2.gz ROMDDMUGDPKCAU-YTWAJWBKSA-N 2 2 200.326 0.997 20 0 BCADLP COCC[NH2+]CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000572033601 387222620 /nfs/dbraw/zinc/22/26/20/387222620.db2.gz LWWQURWMWXVQJU-UHFFFAOYSA-N 2 2 248.286 0.509 20 0 BCADLP Cc1cn2c([nH+]1)CC[C@H](NC(=O)C[NH+](C)C)C2 ZINC000371512767 387226108 /nfs/dbraw/zinc/22/61/08/387226108.db2.gz WVZYFBROUKDBCT-JTQLQIEISA-N 2 2 236.319 0.184 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)[C@H]1C[C@H]1C ZINC000321468299 387230614 /nfs/dbraw/zinc/23/06/14/387230614.db2.gz DAOBZOZJAHILGB-VOAKCMCISA-N 2 2 225.380 0.866 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)[C@H]1C[C@H]1C ZINC000321468299 387230620 /nfs/dbraw/zinc/23/06/20/387230620.db2.gz DAOBZOZJAHILGB-VOAKCMCISA-N 2 2 225.380 0.866 20 0 BCADLP CC(C)[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000336409297 387238388 /nfs/dbraw/zinc/23/83/88/387238388.db2.gz HFCQECJWMYXFQX-VXGBXAGGSA-N 2 2 239.363 0.442 20 0 BCADLP CC(C)[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000336409297 387238389 /nfs/dbraw/zinc/23/83/89/387238389.db2.gz HFCQECJWMYXFQX-VXGBXAGGSA-N 2 2 239.363 0.442 20 0 BCADLP CCO[C@H]1C[C@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000572135880 387245741 /nfs/dbraw/zinc/24/57/41/387245741.db2.gz ORNIQNQPXGWMCU-MNOVXSKESA-N 2 2 209.293 0.996 20 0 BCADLP CC[C@@H]1C[C@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000571896989 387194791 /nfs/dbraw/zinc/19/47/91/387194791.db2.gz ATPCDKVIVYZDRI-OUAUKWLOSA-N 2 2 240.351 0.069 20 0 BCADLP CC[C@@H]1C[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000571896989 387194797 /nfs/dbraw/zinc/19/47/97/387194797.db2.gz ATPCDKVIVYZDRI-OUAUKWLOSA-N 2 2 240.351 0.069 20 0 BCADLP COCC[NH2+]CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423345082 387195787 /nfs/dbraw/zinc/19/57/87/387195787.db2.gz XKYZMTFNAYMZSC-RYUDHWBXSA-N 3 2 229.368 0.330 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CC2=CC[NH2+]CC2)[C@@H](C)C1 ZINC000423348623 387200645 /nfs/dbraw/zinc/20/06/45/387200645.db2.gz UOOWMPGTBVPLLV-AAEUAGOBSA-N 2 2 223.364 0.836 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]CC2=CC[NH2+]CC2)[C@@H](C)C1 ZINC000423348623 387200650 /nfs/dbraw/zinc/20/06/50/387200650.db2.gz UOOWMPGTBVPLLV-AAEUAGOBSA-N 3 2 223.364 0.836 20 0 BCADLP C[NH+](C)CC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000371376137 387201513 /nfs/dbraw/zinc/20/15/13/387201513.db2.gz XGYMGPWYEBJOFJ-CYBMUJFWSA-N 2 2 247.342 0.851 20 0 BCADLP C[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000371376137 387201519 /nfs/dbraw/zinc/20/15/19/387201519.db2.gz XGYMGPWYEBJOFJ-CYBMUJFWSA-N 2 2 247.342 0.851 20 0 BCADLP C[C@H]([NH2+]CC(=O)NCC1CC1)[C@H]1CCCC[NH2+]1 ZINC000393062189 387313135 /nfs/dbraw/zinc/31/31/35/387313135.db2.gz QCGMTWPOLBSJJK-CMPLNLGQSA-N 2 2 239.363 0.633 20 0 BCADLP Cn1nnnc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000371880747 387255393 /nfs/dbraw/zinc/25/53/93/387255393.db2.gz ZZMGVQLJUCQVND-SECBINFHSA-N 2 2 247.306 0.313 20 0 BCADLP Cn1nnnc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000371880747 387255397 /nfs/dbraw/zinc/25/53/97/387255397.db2.gz ZZMGVQLJUCQVND-SECBINFHSA-N 2 2 247.306 0.313 20 0 BCADLP COc1cccc2c1OC[C@@H]([NH2+][C@H]1CC[NH2+]C1)C2 ZINC000643452053 387264506 /nfs/dbraw/zinc/26/45/06/387264506.db2.gz UISDLGLVLQCFFT-RYUDHWBXSA-N 2 2 248.326 0.950 20 0 BCADLP C[NH2+][C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000423387836 387271360 /nfs/dbraw/zinc/27/13/60/387271360.db2.gz KEWAWQUWCVOZFK-IRCOFANPSA-N 3 2 213.369 0.913 20 0 BCADLP C[NH2+][C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000423387836 387271363 /nfs/dbraw/zinc/27/13/63/387271363.db2.gz KEWAWQUWCVOZFK-IRCOFANPSA-N 3 2 213.369 0.913 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC000423388498 387273494 /nfs/dbraw/zinc/27/34/94/387273494.db2.gz UBJPURFSKPPYBO-KKOKHZNYSA-N 3 2 211.353 0.715 20 0 BCADLP CC/C=C/CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000572227738 387280245 /nfs/dbraw/zinc/28/02/45/387280245.db2.gz VTPUVXPBJLNRRF-ZWNMCFTASA-N 2 2 240.351 0.237 20 0 BCADLP CS[C@H](C)CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000515302184 387361130 /nfs/dbraw/zinc/36/11/30/387361130.db2.gz LRTJDKOURNKXIT-NXEZZACHSA-N 2 2 245.392 0.229 20 0 BCADLP CS[C@H](C)CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000515302184 387361133 /nfs/dbraw/zinc/36/11/33/387361133.db2.gz LRTJDKOURNKXIT-NXEZZACHSA-N 2 2 245.392 0.229 20 0 BCADLP CO[C@@H]1C[N@H+](Cc2cc[nH+]c(N)c2)C[C@@H]1OC ZINC000234885204 387327165 /nfs/dbraw/zinc/32/71/65/387327165.db2.gz LBOKOBKYLHHWOP-PHIMTYICSA-N 2 2 237.303 0.509 20 0 BCADLP CO[C@@H]1C[N@@H+](Cc2cc[nH+]c(N)c2)C[C@@H]1OC ZINC000234885204 387327169 /nfs/dbraw/zinc/32/71/69/387327169.db2.gz LBOKOBKYLHHWOP-PHIMTYICSA-N 2 2 237.303 0.509 20 0 BCADLP Cc1n[nH]cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000336503678 387329287 /nfs/dbraw/zinc/32/92/87/387329287.db2.gz QWVPUWYZGDGZTC-PWSUYJOCSA-N 2 2 220.320 0.902 20 0 BCADLP Cc1n[nH]cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000336503678 387329288 /nfs/dbraw/zinc/32/92/88/387329288.db2.gz QWVPUWYZGDGZTC-PWSUYJOCSA-N 2 2 220.320 0.902 20 0 BCADLP O=C1C[C@@]2(CN1)CCC[N@H+](CCn1cc[nH+]c1)C2 ZINC000336513398 387337804 /nfs/dbraw/zinc/33/78/04/387337804.db2.gz QEUWRTCIQAWRBY-CYBMUJFWSA-N 2 2 248.330 0.485 20 0 BCADLP O=C1C[C@@]2(CN1)CCC[N@@H+](CCn1cc[nH+]c1)C2 ZINC000336513398 387337807 /nfs/dbraw/zinc/33/78/07/387337807.db2.gz QEUWRTCIQAWRBY-CYBMUJFWSA-N 2 2 248.330 0.485 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1cccc(O)c1 ZINC000423522716 387352721 /nfs/dbraw/zinc/35/27/21/387352721.db2.gz RMJNZVCQPQGISF-DGCLKSJQSA-N 2 2 249.358 0.946 20 0 BCADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360819709 387353415 /nfs/dbraw/zinc/35/34/15/387353415.db2.gz UHHYTGNPCZOMAK-JGVFFNPUSA-N 2 2 235.278 0.083 20 0 BCADLP CC(C)[C@@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])c1[nH]cc[nH+]1 ZINC000515840325 387433738 /nfs/dbraw/zinc/43/37/38/387433738.db2.gz LNWSWNPMQUYNLQ-HRDYMLBCSA-N 2 2 222.292 0.570 20 0 BCADLP C[NH2+]Cc1noc([C@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000516062804 387454210 /nfs/dbraw/zinc/45/42/10/387454210.db2.gz GXUHHPANPGCZBG-YUMQZZPRSA-N 2 2 210.281 0.645 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)c[nH+]1 ZINC000423633247 387389528 /nfs/dbraw/zinc/38/95/28/387389528.db2.gz KZUAOSKNSYJSID-VHSKPIJISA-N 2 2 236.319 0.834 20 0 BCADLP C[NH2+]CC[NH2+][C@H](C)c1cccc(-n2cnnn2)c1 ZINC000643504419 387417987 /nfs/dbraw/zinc/41/79/87/387417987.db2.gz HFFFSHUUCPUTRN-SNVBAGLBSA-N 2 2 246.318 0.532 20 0 BCADLP C[N@H+](CCC[NH+]1CCCCC1)[C@H]1COC[C@H]1O ZINC000352803701 387493715 /nfs/dbraw/zinc/49/37/15/387493715.db2.gz ZBQZTYZEJUPMAU-QWHCGFSZSA-N 2 2 242.363 0.554 20 0 BCADLP C[N@@H+](CCC[NH+]1CCCCC1)[C@H]1COC[C@H]1O ZINC000352803701 387493719 /nfs/dbraw/zinc/49/37/19/387493719.db2.gz ZBQZTYZEJUPMAU-QWHCGFSZSA-N 2 2 242.363 0.554 20 0 BCADLP C[N@H+](Cc1cnc2cnccn12)C1CC([NH3+])C1 ZINC000516467957 387514288 /nfs/dbraw/zinc/51/42/88/387514288.db2.gz KYZPVIINPAUDKF-UHFFFAOYSA-N 2 2 231.303 0.651 20 0 BCADLP C[N@@H+](Cc1cnc2cnccn12)C1CC([NH3+])C1 ZINC000516467957 387514291 /nfs/dbraw/zinc/51/42/91/387514291.db2.gz KYZPVIINPAUDKF-UHFFFAOYSA-N 2 2 231.303 0.651 20 0 BCADLP COC(=O)CC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000375231057 387519226 /nfs/dbraw/zinc/51/92/26/387519226.db2.gz VOJFCZIOHUTLEF-QWRGUYRKSA-N 2 2 226.320 0.576 20 0 BCADLP COC(=O)CC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000375231057 387519228 /nfs/dbraw/zinc/51/92/28/387519228.db2.gz VOJFCZIOHUTLEF-QWRGUYRKSA-N 2 2 226.320 0.576 20 0 BCADLP COC(=O)CC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000375231057 387519232 /nfs/dbraw/zinc/51/92/32/387519232.db2.gz VOJFCZIOHUTLEF-QWRGUYRKSA-N 2 2 226.320 0.576 20 0 BCADLP COC(=O)CC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000375231057 387519234 /nfs/dbraw/zinc/51/92/34/387519234.db2.gz VOJFCZIOHUTLEF-QWRGUYRKSA-N 2 2 226.320 0.576 20 0 BCADLP C[N@@H+]1CCCC12CC[NH+](CCn1cncn1)CC2 ZINC000374621135 387474321 /nfs/dbraw/zinc/47/43/21/387474321.db2.gz HWKNHROGRZVTKS-UHFFFAOYSA-N 2 2 249.362 0.838 20 0 BCADLP C[N@H+]1CCCC12CC[NH+](CCn1cncn1)CC2 ZINC000374621135 387474326 /nfs/dbraw/zinc/47/43/26/387474326.db2.gz HWKNHROGRZVTKS-UHFFFAOYSA-N 2 2 249.362 0.838 20 0 BCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1[nH+]ccn1C ZINC000336630655 387483085 /nfs/dbraw/zinc/48/30/85/387483085.db2.gz GMTNIQWKQUVRIH-QWRGUYRKSA-N 2 2 222.336 0.945 20 0 BCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1[nH+]ccn1C ZINC000336630655 387483087 /nfs/dbraw/zinc/48/30/87/387483087.db2.gz GMTNIQWKQUVRIH-QWRGUYRKSA-N 2 2 222.336 0.945 20 0 BCADLP CCCCNC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430563829 387628142 /nfs/dbraw/zinc/62/81/42/387628142.db2.gz KFOMWJYXENFWNM-LBPRGKRZSA-N 2 2 229.368 0.866 20 0 BCADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@H]2CO)n1C ZINC000362282665 387592116 /nfs/dbraw/zinc/59/21/16/387592116.db2.gz HOKRFMWILALGBO-JTQLQIEISA-N 2 2 238.335 0.443 20 0 BCADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@H]2CO)n1C ZINC000362282665 387592121 /nfs/dbraw/zinc/59/21/21/387592121.db2.gz HOKRFMWILALGBO-JTQLQIEISA-N 2 2 238.335 0.443 20 0 BCADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@H](CO)C2)n1C ZINC000362287877 387592981 /nfs/dbraw/zinc/59/29/81/387592981.db2.gz VQJZNOUAKPYVPO-JTQLQIEISA-N 2 2 238.335 0.300 20 0 BCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@H](CO)C2)n1C ZINC000362287877 387592985 /nfs/dbraw/zinc/59/29/85/387592985.db2.gz VQJZNOUAKPYVPO-JTQLQIEISA-N 2 2 238.335 0.300 20 0 BCADLP CO[C@@H](C)[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000362297723 387594856 /nfs/dbraw/zinc/59/48/56/387594856.db2.gz DCDZISCWTNFNFS-ZJUUUORDSA-N 2 2 240.351 0.999 20 0 BCADLP CCN(CC)C(=O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422638522 387609995 /nfs/dbraw/zinc/60/99/95/387609995.db2.gz QOAXHDICBRUUDI-UHFFFAOYSA-N 2 2 239.363 0.683 20 0 BCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCOC[C@@H](O)C1 ZINC000399859719 387575925 /nfs/dbraw/zinc/57/59/25/387575925.db2.gz LJHZFUKDDBSSFL-OLZOCXBDSA-N 2 2 242.363 0.554 20 0 BCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCOC[C@@H](O)C1 ZINC000399859719 387575929 /nfs/dbraw/zinc/57/59/29/387575929.db2.gz LJHZFUKDDBSSFL-OLZOCXBDSA-N 2 2 242.363 0.554 20 0 BCADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCOC[C@@H](O)C1 ZINC000399859719 387575933 /nfs/dbraw/zinc/57/59/33/387575933.db2.gz LJHZFUKDDBSSFL-OLZOCXBDSA-N 2 2 242.363 0.554 20 0 BCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCOC[C@@H](O)C1 ZINC000399859719 387575936 /nfs/dbraw/zinc/57/59/36/387575936.db2.gz LJHZFUKDDBSSFL-OLZOCXBDSA-N 2 2 242.363 0.554 20 0 BCADLP C[N@@H+](CC(=O)N1CCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000355759770 387577612 /nfs/dbraw/zinc/57/76/12/387577612.db2.gz XFZCCXYKULJRFJ-GFCCVEGCSA-N 2 2 239.363 0.492 20 0 BCADLP C[N@H+](CC(=O)N1CCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000355759770 387577615 /nfs/dbraw/zinc/57/76/15/387577615.db2.gz XFZCCXYKULJRFJ-GFCCVEGCSA-N 2 2 239.363 0.492 20 0 BCADLP C[NH+](CC(=O)N1CCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000355759770 387577618 /nfs/dbraw/zinc/57/76/18/387577618.db2.gz XFZCCXYKULJRFJ-GFCCVEGCSA-N 2 2 239.363 0.492 20 0 BCADLP C[NH+](CC(=O)N1CCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000355759770 387577620 /nfs/dbraw/zinc/57/76/20/387577620.db2.gz XFZCCXYKULJRFJ-GFCCVEGCSA-N 2 2 239.363 0.492 20 0 BCADLP CC[C@H](C)NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430588175 387631657 /nfs/dbraw/zinc/63/16/57/387631657.db2.gz YRDWVBMCAVXHGP-JOYOIKCWSA-N 2 2 227.352 0.618 20 0 BCADLP C[C@H]([NH2+]CCN1CCOC[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000422720384 387632747 /nfs/dbraw/zinc/63/27/47/387632747.db2.gz SJXSRQYYWSHGNE-RWMBFGLXSA-N 2 2 241.379 0.437 20 0 BCADLP C[C@@H]([NH2+]CCN1CCOC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422720383 387632769 /nfs/dbraw/zinc/63/27/69/387632769.db2.gz SJXSRQYYWSHGNE-JHJVBQTASA-N 2 2 241.379 0.437 20 0 BCADLP NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430651195 387635559 /nfs/dbraw/zinc/63/55/59/387635559.db2.gz VVGHFOWMNSFSGZ-YPMHNXCESA-N 2 2 247.342 0.884 20 0 BCADLP NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430651195 387635562 /nfs/dbraw/zinc/63/55/62/387635562.db2.gz VVGHFOWMNSFSGZ-YPMHNXCESA-N 2 2 247.342 0.884 20 0 BCADLP C[C@H](C[N@@H+]1CCC[C@@H](C[NH3+])C1)CS(C)(=O)=O ZINC000430669219 387638768 /nfs/dbraw/zinc/63/87/68/387638768.db2.gz SSQWJFQLNYDBJG-MNOVXSKESA-N 2 2 248.392 0.338 20 0 BCADLP C[C@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)CS(C)(=O)=O ZINC000430669219 387638772 /nfs/dbraw/zinc/63/87/72/387638772.db2.gz SSQWJFQLNYDBJG-MNOVXSKESA-N 2 2 248.392 0.338 20 0 BCADLP O=C([C@H]1CC[NH2+]C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000430677794 387638855 /nfs/dbraw/zinc/63/88/55/387638855.db2.gz HBNYSSGCGZBIBN-WDEREUQCSA-N 2 2 248.330 0.725 20 0 BCADLP CCOCCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422729878 387639385 /nfs/dbraw/zinc/63/93/85/387639385.db2.gz LECXZJFDNVLWOP-QWHCGFSZSA-N 2 2 242.363 0.770 20 0 BCADLP c1[nH+]cn2c1C[N@H+](Cc1cncnc1)CC2 ZINC000356293683 387640464 /nfs/dbraw/zinc/64/04/64/387640464.db2.gz LNZBUAUPADLQRV-UHFFFAOYSA-N 2 2 215.260 0.689 20 0 BCADLP c1[nH+]cn2c1C[N@@H+](Cc1cncnc1)CC2 ZINC000356293683 387640469 /nfs/dbraw/zinc/64/04/69/387640469.db2.gz LNZBUAUPADLQRV-UHFFFAOYSA-N 2 2 215.260 0.689 20 0 BCADLP CCCNC(=O)CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422734594 387642512 /nfs/dbraw/zinc/64/25/12/387642512.db2.gz UCLAFGAKDIEAQN-QWRGUYRKSA-N 2 2 227.352 0.490 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000422735626 387642686 /nfs/dbraw/zinc/64/26/86/387642686.db2.gz WJKBNCBPLXCSDR-STQMWFEESA-N 2 2 241.379 0.296 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1NCCC[NH+]1CCOCC1 ZINC000422735626 387642691 /nfs/dbraw/zinc/64/26/91/387642691.db2.gz WJKBNCBPLXCSDR-STQMWFEESA-N 2 2 241.379 0.296 20 0 BCADLP CC(C)C(=O)NCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422756942 387661495 /nfs/dbraw/zinc/66/14/95/387661495.db2.gz MEMLHUPIUMBROS-WDEREUQCSA-N 2 2 227.352 0.346 20 0 BCADLP C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccccc2)CC[C@H]1[NH3+] ZINC000430938214 387662831 /nfs/dbraw/zinc/66/28/31/387662831.db2.gz HDSRFFDQTRZGNN-RTXFEEFZSA-N 2 2 247.342 0.882 20 0 BCADLP C[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccccc2)CC[C@H]1[NH3+] ZINC000430938214 387662835 /nfs/dbraw/zinc/66/28/35/387662835.db2.gz HDSRFFDQTRZGNN-RTXFEEFZSA-N 2 2 247.342 0.882 20 0 BCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000430938536 387663756 /nfs/dbraw/zinc/66/37/56/387663756.db2.gz CBKUOYSAIFZPEP-NSHDSACASA-N 2 2 225.336 0.183 20 0 BCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000430938536 387663760 /nfs/dbraw/zinc/66/37/60/387663760.db2.gz CBKUOYSAIFZPEP-NSHDSACASA-N 2 2 225.336 0.183 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCNC(=O)C1CC1 ZINC000422767686 387667277 /nfs/dbraw/zinc/66/72/77/387667277.db2.gz YSARTBXYWHZCLS-ONGXEEELSA-N 2 2 225.336 0.100 20 0 BCADLP C[NH+](C)CCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422743140 387690402 /nfs/dbraw/zinc/69/04/02/387690402.db2.gz HZRHXBWSIYJMEF-OLZOCXBDSA-N 3 2 241.379 0.295 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]CC2COC2)n1C ZINC000527819890 387742653 /nfs/dbraw/zinc/74/26/53/387742653.db2.gz OGXJDDQTGWCORY-UHFFFAOYSA-N 2 2 224.308 0.222 20 0 BCADLP CCn1c[nH+]cc1C[NH2+][C@H]1CCCN(C)C1=O ZINC000527764081 387700733 /nfs/dbraw/zinc/70/07/33/387700733.db2.gz QELBGBVDCVVWDG-NSHDSACASA-N 2 2 236.319 0.613 20 0 BCADLP C([NH2+]C1COC1)[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000367480017 387714762 /nfs/dbraw/zinc/71/47/62/387714762.db2.gz HBELMIRZKAUDMW-DGCLKSJQSA-N 2 2 240.347 0.476 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CC23CC(C2)CO3)n1C ZINC000527791655 387718144 /nfs/dbraw/zinc/71/81/44/387718144.db2.gz UHVGTXWWFJGPLX-UHFFFAOYSA-N 2 2 221.304 0.997 20 0 BCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000424141834 387719903 /nfs/dbraw/zinc/71/99/03/387719903.db2.gz XRZISZIYYMCFOQ-LPEHRKFASA-N 2 2 234.303 0.463 20 0 BCADLP CC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCNC1=O ZINC000440965426 387719996 /nfs/dbraw/zinc/71/99/96/387719996.db2.gz ZYGBDMXETZUDIL-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCNC1=O ZINC000440965426 387720005 /nfs/dbraw/zinc/72/00/05/387720005.db2.gz ZYGBDMXETZUDIL-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCNC1=O ZINC000440965426 387720011 /nfs/dbraw/zinc/72/00/11/387720011.db2.gz ZYGBDMXETZUDIL-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP CC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCNC1=O ZINC000440965426 387720014 /nfs/dbraw/zinc/72/00/14/387720014.db2.gz ZYGBDMXETZUDIL-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000643522746 387721164 /nfs/dbraw/zinc/72/11/64/387721164.db2.gz BYUAIRTXCAABAM-IJLUTSLNSA-N 3 2 211.353 0.859 20 0 BCADLP C[NH2+]C[C@@H](C)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000422832730 387725831 /nfs/dbraw/zinc/72/58/31/387725831.db2.gz VLMABMLNXJEVFE-SSDOTTSWSA-N 2 2 210.281 0.303 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@H]([NH3+])C(C)C)c[nH+]1 ZINC000422852635 387739076 /nfs/dbraw/zinc/73/90/76/387739076.db2.gz QUBIGQQXKPRCQG-QMMMGPOBSA-N 2 2 210.281 0.431 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000422919072 387775111 /nfs/dbraw/zinc/77/51/11/387775111.db2.gz JBRUMSGFQOLKGR-SCVCMEIPSA-N 2 2 237.347 0.337 20 0 BCADLP CCn1nncc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000527921445 387790264 /nfs/dbraw/zinc/79/02/64/387790264.db2.gz YDWQOWJCNGOKAB-QWRGUYRKSA-N 2 2 237.351 0.870 20 0 BCADLP CCn1nncc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000527921445 387790269 /nfs/dbraw/zinc/79/02/69/387790269.db2.gz YDWQOWJCNGOKAB-QWRGUYRKSA-N 2 2 237.351 0.870 20 0 BCADLP CC[C@](C)(O)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422983190 387793133 /nfs/dbraw/zinc/79/31/33/387793133.db2.gz YVBRSQPCXYJOSY-XQQFMLRXSA-N 2 2 242.363 0.504 20 0 BCADLP CC[C@](C)(O)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422983187 387794042 /nfs/dbraw/zinc/79/40/42/387794042.db2.gz YVBRSQPCXYJOSY-AGIUHOORSA-N 2 2 242.363 0.504 20 0 BCADLP CC[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)[C@@H]1CCC[NH2+]1 ZINC000422959230 387811527 /nfs/dbraw/zinc/81/15/27/387811527.db2.gz RDGHLWZHIPFZLW-MXWKQRLJSA-N 2 2 225.336 0.337 20 0 BCADLP COCC(COC)[NH2+]Cc1c[nH+]c(C)n1C ZINC000564102938 387832338 /nfs/dbraw/zinc/83/23/38/387832338.db2.gz WBXFQWHBNAHPIC-UHFFFAOYSA-N 2 2 227.308 0.480 20 0 BCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccncc1 ZINC000442757584 387835059 /nfs/dbraw/zinc/83/50/59/387835059.db2.gz MLXYYLBISNCDMF-MNOVXSKESA-N 2 2 248.330 0.111 20 0 BCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccncc1 ZINC000442757584 387835064 /nfs/dbraw/zinc/83/50/64/387835064.db2.gz MLXYYLBISNCDMF-MNOVXSKESA-N 2 2 248.330 0.111 20 0 BCADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccncc1 ZINC000442757585 387835561 /nfs/dbraw/zinc/83/55/61/387835561.db2.gz MLXYYLBISNCDMF-QWRGUYRKSA-N 2 2 248.330 0.111 20 0 BCADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccncc1 ZINC000442757585 387835569 /nfs/dbraw/zinc/83/55/69/387835569.db2.gz MLXYYLBISNCDMF-QWRGUYRKSA-N 2 2 248.330 0.111 20 0 BCADLP CC[C@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424159485 387839776 /nfs/dbraw/zinc/83/97/76/387839776.db2.gz AAFKWZACUICFBE-YUMQZZPRSA-N 2 2 235.278 0.085 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@](C)(O)C(F)(F)F ZINC000423016467 387840474 /nfs/dbraw/zinc/84/04/74/387840474.db2.gz SZJLQRUXHJAYMR-VGMNWLOBSA-N 2 2 240.269 0.887 20 0 BCADLP OC[C@@H](CC1CCCC1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000423033735 387848342 /nfs/dbraw/zinc/84/83/42/387848342.db2.gz ZVCBVUBUCTUYIW-VXGBXAGGSA-N 2 2 212.337 0.879 20 0 BCADLP CCCC[C@H]([NH3+])C(=O)N1CCn2cc[nH+]c2C1 ZINC000062254849 387852275 /nfs/dbraw/zinc/85/22/75/387852275.db2.gz KMXDCVATCUJEFB-JTQLQIEISA-N 2 2 236.319 0.743 20 0 BCADLP COC[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)OC ZINC000423038471 387853570 /nfs/dbraw/zinc/85/35/70/387853570.db2.gz CWQZUZILKJPMAU-QJPTWQEYSA-N 2 2 230.352 0.768 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193604795 387855812 /nfs/dbraw/zinc/85/58/12/387855812.db2.gz HJEHMVFKYYEWKV-UTUOFQBUSA-N 2 2 239.363 0.395 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193604795 387855816 /nfs/dbraw/zinc/85/58/16/387855816.db2.gz HJEHMVFKYYEWKV-UTUOFQBUSA-N 2 2 239.363 0.395 20 0 BCADLP CC[C@@H](C)NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193604795 387855823 /nfs/dbraw/zinc/85/58/23/387855823.db2.gz HJEHMVFKYYEWKV-UTUOFQBUSA-N 2 2 239.363 0.395 20 0 BCADLP CC[C@@H](C)NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193604795 387855830 /nfs/dbraw/zinc/85/58/30/387855830.db2.gz HJEHMVFKYYEWKV-UTUOFQBUSA-N 2 2 239.363 0.395 20 0 BCADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC(=O)NCC1CC1 ZINC000423043530 387856046 /nfs/dbraw/zinc/85/60/46/387856046.db2.gz OXSOPYUZMUGVPJ-NEPJUHHUSA-N 2 2 239.363 0.762 20 0 BCADLP CCN(C)C(=O)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423052778 387860603 /nfs/dbraw/zinc/86/06/03/387860603.db2.gz QLRQHGQXXUSVNR-ZJUUUORDSA-N 2 2 213.325 0.052 20 0 BCADLP C/C=C\C[C@H](CO)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423053417 387861893 /nfs/dbraw/zinc/86/18/93/387861893.db2.gz RZYTUVCIQYZSSP-DXELUQJMSA-N 2 2 242.363 0.670 20 0 BCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000442665487 387816519 /nfs/dbraw/zinc/81/65/19/387816519.db2.gz MNUBSBOCUCZYII-OLZOCXBDSA-N 3 2 243.395 0.766 20 0 BCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000442665487 387816522 /nfs/dbraw/zinc/81/65/22/387816522.db2.gz MNUBSBOCUCZYII-OLZOCXBDSA-N 3 2 243.395 0.766 20 0 BCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000442665486 387817142 /nfs/dbraw/zinc/81/71/42/387817142.db2.gz MNUBSBOCUCZYII-CHWSQXEVSA-N 3 2 243.395 0.766 20 0 BCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000442665486 387817146 /nfs/dbraw/zinc/81/71/46/387817146.db2.gz MNUBSBOCUCZYII-CHWSQXEVSA-N 3 2 243.395 0.766 20 0 BCADLP C[C@H]([NH3+])C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000442663117 387817779 /nfs/dbraw/zinc/81/77/79/387817779.db2.gz ITQQFTVZIFIBIB-LBPRGKRZSA-N 3 2 241.379 0.378 20 0 BCADLP C[C@@H]([NH3+])C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000442663115 387817948 /nfs/dbraw/zinc/81/79/48/387817948.db2.gz ITQQFTVZIFIBIB-GFCCVEGCSA-N 3 2 241.379 0.378 20 0 BCADLP Cc1nc(C[C@@H]2CCC[N@@H+](C[C@@H](C)[NH3+])C2)no1 ZINC000442665762 387819445 /nfs/dbraw/zinc/81/94/45/387819445.db2.gz NUTDYJAYRGZJMY-KOLCDFICSA-N 2 2 238.335 0.980 20 0 BCADLP Cc1nc(C[C@@H]2CCC[N@H+](C[C@@H](C)[NH3+])C2)no1 ZINC000442665762 387819450 /nfs/dbraw/zinc/81/94/50/387819450.db2.gz NUTDYJAYRGZJMY-KOLCDFICSA-N 2 2 238.335 0.980 20 0 BCADLP C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)[C@H]1CCCC[NH2+]1 ZINC000423116768 387897732 /nfs/dbraw/zinc/89/77/32/387897732.db2.gz RLLLHZCWECUNLI-OUAUKWLOSA-N 2 2 245.342 0.581 20 0 BCADLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538390 387876444 /nfs/dbraw/zinc/87/64/44/387876444.db2.gz JDQMZCODOILRNF-BJDJZHNGSA-N 3 2 229.343 0.664 20 0 BCADLP COC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000423089371 387879820 /nfs/dbraw/zinc/87/98/20/387879820.db2.gz UYSFTHRGUUZOJY-RNJOBUHISA-N 2 2 242.363 0.911 20 0 BCADLP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c(=O)n1C ZINC000423085546 387880673 /nfs/dbraw/zinc/88/06/73/387880673.db2.gz KEBMKQSARUODFZ-DGCLKSJQSA-N 2 2 249.358 0.924 20 0 BCADLP O=C1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)[C@@H]2CCCCN12 ZINC000423116798 387899295 /nfs/dbraw/zinc/89/92/95/387899295.db2.gz ROWXUVVSIOMYNQ-VWYCJHECSA-N 2 2 223.320 0.091 20 0 BCADLP C1CC1[C@H]([NH2+][C@H]1CCCOC1)[C@@H]1C[NH2+]CCO1 ZINC000423121063 387901278 /nfs/dbraw/zinc/90/12/78/387901278.db2.gz HZJMTCUKTLYTIL-AVGNSLFASA-N 2 2 240.347 0.522 20 0 BCADLP Nc1ccc(NC(=O)CC2CC[NH2+]CC2)c[nH+]1 ZINC000238133179 387930675 /nfs/dbraw/zinc/93/06/75/387930675.db2.gz VCERWUCRDYXDPH-UHFFFAOYSA-N 2 2 234.303 0.992 20 0 BCADLP Nc1ccc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)c[nH+]1 ZINC000237988747 387930729 /nfs/dbraw/zinc/93/07/29/387930729.db2.gz BAOGVVWKVGNHGW-JTQLQIEISA-N 2 2 246.314 0.992 20 0 BCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(CO)CCC1 ZINC000643480583 387936282 /nfs/dbraw/zinc/93/62/82/387936282.db2.gz BOMGANODIBZTHC-NWDGAFQWSA-N 2 2 242.363 0.506 20 0 BCADLP CC[C@@H]([NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)C(=O)NC ZINC000423157128 387936335 /nfs/dbraw/zinc/93/63/35/387936335.db2.gz AJXFHMHFTJNCIF-AXFHLTTASA-N 2 2 227.352 0.631 20 0 BCADLP CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000423158361 387938077 /nfs/dbraw/zinc/93/80/77/387938077.db2.gz WNELNRXFPQTCRA-YVECIDJPSA-N 2 2 242.363 0.911 20 0 BCADLP COC(=O)CC1CC([NH2+]CCn2cc[nH+]c2)C1 ZINC000424251335 387943866 /nfs/dbraw/zinc/94/38/66/387943866.db2.gz CHMQPAVMMUIPQR-UHFFFAOYSA-N 2 2 237.303 0.814 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000245438168 387945672 /nfs/dbraw/zinc/94/56/72/387945672.db2.gz FERPPJFXCBMLNK-WDEREUQCSA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000245438168 387945676 /nfs/dbraw/zinc/94/56/76/387945676.db2.gz FERPPJFXCBMLNK-WDEREUQCSA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000245438168 387945680 /nfs/dbraw/zinc/94/56/80/387945680.db2.gz FERPPJFXCBMLNK-WDEREUQCSA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000245438168 387945683 /nfs/dbraw/zinc/94/56/83/387945683.db2.gz FERPPJFXCBMLNK-WDEREUQCSA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000245459888 387947625 /nfs/dbraw/zinc/94/76/25/387947625.db2.gz VOIVXQOSEXHDAD-QWRGUYRKSA-N 2 2 228.336 0.822 20 0 BCADLP CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000245459888 387947630 /nfs/dbraw/zinc/94/76/30/387947630.db2.gz VOIVXQOSEXHDAD-QWRGUYRKSA-N 2 2 228.336 0.822 20 0 BCADLP CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423172300 387959361 /nfs/dbraw/zinc/95/93/61/387959361.db2.gz SCYLLHNDEXJXEF-VPOLOUISSA-N 2 2 214.309 0.130 20 0 BCADLP CC[C@H](Cn1cncn1)[NH2+]CCn1cc[nH+]c1 ZINC000438831032 387959350 /nfs/dbraw/zinc/95/93/50/387959350.db2.gz IINHMITWGSDISQ-LLVKDONJSA-N 2 2 234.307 0.543 20 0 BCADLP CCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424336431 387978652 /nfs/dbraw/zinc/97/86/52/387978652.db2.gz QQFUCLNEVOSKIT-GHMZBOCLSA-N 2 2 227.352 0.762 20 0 BCADLP CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424329467 387975565 /nfs/dbraw/zinc/97/55/65/387975565.db2.gz GKVZLORZRFQGRH-HBNTYKKESA-N 2 2 227.352 0.761 20 0 BCADLP C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424376504 387998726 /nfs/dbraw/zinc/99/87/26/387998726.db2.gz PKUIKMKCCRREMK-OPRDCNLKSA-N 2 2 234.365 0.279 20 0 BCADLP COc1ccnc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000424385148 388002020 /nfs/dbraw/zinc/00/20/20/388002020.db2.gz VZGGUBCSDCTCAH-VHSXEESVSA-N 2 2 236.319 0.702 20 0 BCADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000423225470 388006933 /nfs/dbraw/zinc/00/69/33/388006933.db2.gz MWWVQDZRGLVLLN-JTQLQIEISA-N 2 2 246.318 0.532 20 0 BCADLP OC1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cc[nH+]c1 ZINC000082598272 388037443 /nfs/dbraw/zinc/03/74/43/388037443.db2.gz QWEJMGPSKDWYQX-FOSCPWQOSA-N 2 2 221.304 0.871 20 0 BCADLP OC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cc[nH+]c1 ZINC000082598272 388037447 /nfs/dbraw/zinc/03/74/47/388037447.db2.gz QWEJMGPSKDWYQX-FOSCPWQOSA-N 2 2 221.304 0.871 20 0 BCADLP COC[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C1CCOCC1 ZINC000446822511 388040599 /nfs/dbraw/zinc/04/05/99/388040599.db2.gz XESVUEYRQNIFAW-DGCLKSJQSA-N 2 2 244.379 0.968 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000453264018 388028323 /nfs/dbraw/zinc/02/83/23/388028323.db2.gz MFXBHOYZIMPBGB-UPJWGTAASA-N 2 2 244.379 0.846 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000453264018 388028327 /nfs/dbraw/zinc/02/83/27/388028327.db2.gz MFXBHOYZIMPBGB-UPJWGTAASA-N 2 2 244.379 0.846 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000453259903 388028854 /nfs/dbraw/zinc/02/88/54/388028854.db2.gz IVHDZDIIIXRZGI-JHJVBQTASA-N 2 2 244.379 0.846 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000453259903 388028858 /nfs/dbraw/zinc/02/88/58/388028858.db2.gz IVHDZDIIIXRZGI-JHJVBQTASA-N 2 2 244.379 0.846 20 0 BCADLP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423274574 388054590 /nfs/dbraw/zinc/05/45/90/388054590.db2.gz MBOQGGIPACBTMR-WOPDTQHZSA-N 3 2 213.369 0.962 20 0 BCADLP C[NH2+]C[C@H](C)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423274572 388054706 /nfs/dbraw/zinc/05/47/06/388054706.db2.gz MBOQGGIPACBTMR-TUAOUCFPSA-N 3 2 213.369 0.962 20 0 BCADLP CC[C@H]([NH2+]C[C@@H](C)C[NH2+]C)[C@@H]1CCC[NH2+]1 ZINC000423278757 388060541 /nfs/dbraw/zinc/06/05/41/388060541.db2.gz RLCMUBOLRJWQDL-SRVKXCTJSA-N 3 2 213.369 0.962 20 0 BCADLP CCOC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261527396 135152225 /nfs/dbraw/zinc/15/22/25/135152225.db2.gz APTSENJPHKLSBH-JTQLQIEISA-N 2 2 200.282 0.220 20 0 BCADLP CCOC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261527396 135152227 /nfs/dbraw/zinc/15/22/27/135152227.db2.gz APTSENJPHKLSBH-JTQLQIEISA-N 2 2 200.282 0.220 20 0 BCADLP Cn1ncnc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000083972578 388068697 /nfs/dbraw/zinc/06/86/97/388068697.db2.gz PEOLNSCTVJGRGE-SNVBAGLBSA-N 2 2 223.324 0.518 20 0 BCADLP Cn1ncnc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000083972578 388068699 /nfs/dbraw/zinc/06/86/99/388068699.db2.gz PEOLNSCTVJGRGE-SNVBAGLBSA-N 2 2 223.324 0.518 20 0 BCADLP Cc1cnc(CC[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cn1 ZINC000453404758 388074481 /nfs/dbraw/zinc/07/44/81/388074481.db2.gz PSBUJIQDFHWMTD-ZWNOBZJWSA-N 2 2 234.347 0.867 20 0 BCADLP Cc1cnc(CC[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cn1 ZINC000453404758 388074483 /nfs/dbraw/zinc/07/44/83/388074483.db2.gz PSBUJIQDFHWMTD-ZWNOBZJWSA-N 2 2 234.347 0.867 20 0 BCADLP Cc1cnc(CC[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cn1 ZINC000453404755 388074595 /nfs/dbraw/zinc/07/45/95/388074595.db2.gz PSBUJIQDFHWMTD-GWCFXTLKSA-N 2 2 234.347 0.867 20 0 BCADLP Cc1cnc(CC[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cn1 ZINC000453404755 388074597 /nfs/dbraw/zinc/07/45/97/388074597.db2.gz PSBUJIQDFHWMTD-GWCFXTLKSA-N 2 2 234.347 0.867 20 0 BCADLP COC(C)(C)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336660183 388091612 /nfs/dbraw/zinc/09/16/12/388091612.db2.gz RJUMBSUWQKKUBQ-VHSXEESVSA-N 2 2 200.326 0.951 20 0 BCADLP COC(C)(C)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336660183 388091615 /nfs/dbraw/zinc/09/16/15/388091615.db2.gz RJUMBSUWQKKUBQ-VHSXEESVSA-N 2 2 200.326 0.951 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000449247062 388162090 /nfs/dbraw/zinc/16/20/90/388162090.db2.gz DUVIKHBHBXSOMW-GRYCIOLGSA-N 2 2 230.352 0.456 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000449247062 388162092 /nfs/dbraw/zinc/16/20/92/388162092.db2.gz DUVIKHBHBXSOMW-GRYCIOLGSA-N 2 2 230.352 0.456 20 0 BCADLP C[NH2+]C[C@@H](C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000646253067 388169996 /nfs/dbraw/zinc/16/99/96/388169996.db2.gz NSEKZMIKIDDABE-LLVKDONJSA-N 2 2 238.335 0.587 20 0 BCADLP C[NH2+]CCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265226 388173053 /nfs/dbraw/zinc/17/30/53/388173053.db2.gz OZPOKRQDHBGBSV-NSHDSACASA-N 2 2 248.330 0.386 20 0 BCADLP CC1(C)C[NH2+][C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000646046057 388131581 /nfs/dbraw/zinc/13/15/81/388131581.db2.gz CECNWOMXQBKDHI-MRVPVSSYSA-N 2 2 208.265 0.024 20 0 BCADLP CC1(C)C[NH2+][C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000646046057 388131584 /nfs/dbraw/zinc/13/15/84/388131584.db2.gz CECNWOMXQBKDHI-MRVPVSSYSA-N 2 2 208.265 0.024 20 0 BCADLP CCC[NH2+][C@H](C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000449105899 388142944 /nfs/dbraw/zinc/14/29/44/388142944.db2.gz FPRXSTPFIINCIJ-LLVKDONJSA-N 2 2 239.363 0.681 20 0 BCADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCSC1 ZINC000449388031 388190401 /nfs/dbraw/zinc/19/04/01/388190401.db2.gz NTWSGXJQVGYUGX-NWDGAFQWSA-N 2 2 244.404 0.928 20 0 BCADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCSC1 ZINC000449388031 388190403 /nfs/dbraw/zinc/19/04/03/388190403.db2.gz NTWSGXJQVGYUGX-NWDGAFQWSA-N 2 2 244.404 0.928 20 0 BCADLP COCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449393224 388193192 /nfs/dbraw/zinc/19/31/92/388193192.db2.gz LSOWNYJJQZCPBD-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP COCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449393224 388193195 /nfs/dbraw/zinc/19/31/95/388193195.db2.gz LSOWNYJJQZCPBD-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449392342 388193371 /nfs/dbraw/zinc/19/33/71/388193371.db2.gz JWHGTSQQLYXULC-RWMBFGLXSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449392342 388193373 /nfs/dbraw/zinc/19/33/73/388193373.db2.gz JWHGTSQQLYXULC-RWMBFGLXSA-N 2 2 242.363 0.600 20 0 BCADLP CCN1C[C@H]([NH2+][C@@H]2C[N@H+](CC)C[C@@H]2C)CC1=O ZINC000449519674 388222450 /nfs/dbraw/zinc/22/24/50/388222450.db2.gz QNRWSWLFHOXIGG-QJPTWQEYSA-N 2 2 239.363 0.537 20 0 BCADLP CCN1C[C@H]([NH2+][C@@H]2C[N@@H+](CC)C[C@@H]2C)CC1=O ZINC000449519674 388222451 /nfs/dbraw/zinc/22/24/51/388222451.db2.gz QNRWSWLFHOXIGG-QJPTWQEYSA-N 2 2 239.363 0.537 20 0 BCADLP COCC[N@H+](Cc1c[nH+]cn1C)[C@H]1CCOC1 ZINC000490081616 388234847 /nfs/dbraw/zinc/23/48/47/388234847.db2.gz BOZVLKLEFSZWFX-NSHDSACASA-N 2 2 239.319 0.657 20 0 BCADLP COCC[N@@H+](Cc1c[nH+]cn1C)[C@H]1CCOC1 ZINC000490081616 388234850 /nfs/dbraw/zinc/23/48/50/388234850.db2.gz BOZVLKLEFSZWFX-NSHDSACASA-N 2 2 239.319 0.657 20 0 BCADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)CC[C@@H]1O ZINC000164672763 388243230 /nfs/dbraw/zinc/24/32/30/388243230.db2.gz XDELYXDOGPCCFQ-QWRGUYRKSA-N 2 2 209.293 0.586 20 0 BCADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)CC[C@@H]1O ZINC000164672763 388243231 /nfs/dbraw/zinc/24/32/31/388243231.db2.gz XDELYXDOGPCCFQ-QWRGUYRKSA-N 2 2 209.293 0.586 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)/C=C\C[NH+](C)C ZINC000491907137 388327269 /nfs/dbraw/zinc/32/72/69/388327269.db2.gz RJMPGKAHXJAIGS-PLNGDYQASA-N 2 2 222.292 0.154 20 0 BCADLP Cc1cc(CNC(=O)[C@@H]2C[NH2+]CCO2)cc(C)[nH+]1 ZINC000646388483 388348601 /nfs/dbraw/zinc/34/86/01/388348601.db2.gz IAKFOMZDDANRAC-LBPRGKRZSA-N 2 2 249.314 0.303 20 0 BCADLP C[C@@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)CC[NH2+]1 ZINC000300263862 388357230 /nfs/dbraw/zinc/35/72/30/388357230.db2.gz XYZXZEAKTSPDAN-RKDXNWHRSA-N 2 2 246.318 0.916 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)Cn1cc[nH+]c1 ZINC000572777594 388375737 /nfs/dbraw/zinc/37/57/37/388375737.db2.gz KUJBXRLNPACVMP-JTQLQIEISA-N 2 2 233.275 0.285 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000164367217 388377606 /nfs/dbraw/zinc/37/76/06/388377606.db2.gz SHFILEDQWYNWOW-DTWKUNHWSA-N 2 2 224.308 0.362 20 0 BCADLP O=C(C[NH2+]C1CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000519825699 256660908 /nfs/dbraw/zinc/66/09/08/256660908.db2.gz SOEIHBDBMYQCEL-SNVBAGLBSA-N 2 2 248.330 0.868 20 0 BCADLP Cc1nocc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000293597839 388390497 /nfs/dbraw/zinc/39/04/97/388390497.db2.gz OQZDLKIEAFFKGJ-LBPRGKRZSA-N 2 2 239.319 0.529 20 0 BCADLP C[C@@H](CNC(=O)C(C)(C)C[NH3+])Cn1cc[nH+]c1 ZINC000237520312 388395458 /nfs/dbraw/zinc/39/54/58/388395458.db2.gz COBOQVJZEHTVFM-JTQLQIEISA-N 2 2 238.335 0.620 20 0 BCADLP CC[C@@H](CO)[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000308592800 388444274 /nfs/dbraw/zinc/44/42/74/388444274.db2.gz LBFFIVSYKJVSBC-OUAUKWLOSA-N 2 2 200.326 0.687 20 0 BCADLP CC[C@@H](CO)[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000308592800 388444275 /nfs/dbraw/zinc/44/42/75/388444275.db2.gz LBFFIVSYKJVSBC-OUAUKWLOSA-N 2 2 200.326 0.687 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000336268640 388456309 /nfs/dbraw/zinc/45/63/09/388456309.db2.gz ZUXOZINYIKLTSO-NEPJUHHUSA-N 3 2 211.353 0.657 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000336268640 388456310 /nfs/dbraw/zinc/45/63/10/388456310.db2.gz ZUXOZINYIKLTSO-NEPJUHHUSA-N 3 2 211.353 0.657 20 0 BCADLP CCOC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397291229 388457031 /nfs/dbraw/zinc/45/70/31/388457031.db2.gz AGBMXYZGWDUJIP-VWYCJHECSA-N 2 2 228.336 0.855 20 0 BCADLP CCOC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397291229 388457032 /nfs/dbraw/zinc/45/70/32/388457032.db2.gz AGBMXYZGWDUJIP-VWYCJHECSA-N 2 2 228.336 0.855 20 0 BCADLP C[C@H]([NH3+])CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000194937693 388457939 /nfs/dbraw/zinc/45/79/39/388457939.db2.gz GELMIHBHLIRTLR-QMMMGPOBSA-N 2 2 218.260 0.411 20 0 BCADLP COC(=O)N1CCC([NH2+]CC[NH+](C)C)CC1 ZINC000309641722 388459601 /nfs/dbraw/zinc/45/96/01/388459601.db2.gz KWPRAFWSHPPXJL-UHFFFAOYSA-N 2 2 229.324 0.368 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@](C)(O)C1)C1CC1 ZINC000336716927 388467663 /nfs/dbraw/zinc/46/76/63/388467663.db2.gz QDRIOYFHFKNRGM-OLZOCXBDSA-N 2 2 242.363 0.288 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@](C)(O)C1)C1CC1 ZINC000336716927 388467666 /nfs/dbraw/zinc/46/76/66/388467666.db2.gz QDRIOYFHFKNRGM-OLZOCXBDSA-N 2 2 242.363 0.288 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@](C)(O)C1)C1CC1 ZINC000336716927 388467669 /nfs/dbraw/zinc/46/76/69/388467669.db2.gz QDRIOYFHFKNRGM-OLZOCXBDSA-N 2 2 242.363 0.288 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@](C)(O)C1)C1CC1 ZINC000336716927 388467671 /nfs/dbraw/zinc/46/76/71/388467671.db2.gz QDRIOYFHFKNRGM-OLZOCXBDSA-N 2 2 242.363 0.288 20 0 BCADLP C[C@@H]1C[C@H](C)[N@H+](Cc2cn(C)nn2)C[C@H]1C[NH3+] ZINC000397439465 388469906 /nfs/dbraw/zinc/46/99/06/388469906.db2.gz DTVYTTJHPWOIRB-OUAUKWLOSA-N 2 2 237.351 0.620 20 0 BCADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2cn(C)nn2)C[C@H]1C[NH3+] ZINC000397439465 388469908 /nfs/dbraw/zinc/46/99/08/388469908.db2.gz DTVYTTJHPWOIRB-OUAUKWLOSA-N 2 2 237.351 0.620 20 0 BCADLP CSC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000573199450 388431367 /nfs/dbraw/zinc/43/13/67/388431367.db2.gz XUKVODOVXVOTHR-HOSYDEDBSA-N 2 2 244.404 0.925 20 0 BCADLP CSC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000573199450 388431369 /nfs/dbraw/zinc/43/13/69/388431369.db2.gz XUKVODOVXVOTHR-HOSYDEDBSA-N 2 2 244.404 0.925 20 0 BCADLP CSC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000573199451 388431812 /nfs/dbraw/zinc/43/18/12/388431812.db2.gz XUKVODOVXVOTHR-JBLDHEPKSA-N 2 2 244.404 0.925 20 0 BCADLP CSC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000573199451 388431815 /nfs/dbraw/zinc/43/18/15/388431815.db2.gz XUKVODOVXVOTHR-JBLDHEPKSA-N 2 2 244.404 0.925 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCCn2ccnn2)n1C ZINC000517247946 388546121 /nfs/dbraw/zinc/54/61/21/388546121.db2.gz ZTFXSRLFKXPKLB-UHFFFAOYSA-N 2 2 234.307 0.500 20 0 BCADLP Cc1c[nH+]cn1CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000528565532 388546853 /nfs/dbraw/zinc/54/68/53/388546853.db2.gz CBFCKIGQHDRDEO-UHFFFAOYSA-N 2 2 245.286 0.472 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CC[C@H](C)CCO)C1 ZINC000397620367 388484420 /nfs/dbraw/zinc/48/44/20/388484420.db2.gz GKVDWGUAOGWWTN-QWHCGFSZSA-N 2 2 244.379 0.705 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+]CC[C@H](C)CCO)C1 ZINC000397620367 388484421 /nfs/dbraw/zinc/48/44/21/388484421.db2.gz GKVDWGUAOGWWTN-QWHCGFSZSA-N 2 2 244.379 0.705 20 0 BCADLP CC(C)CCNC(=O)[C@H](C)[NH+]1CCC([NH3+])CC1 ZINC000034939778 388492302 /nfs/dbraw/zinc/49/23/02/388492302.db2.gz OZRGVQVGORINMA-NSHDSACASA-N 2 2 241.379 0.960 20 0 BCADLP C[C@@H]1CCC[N@H+](CCOCC[NH3+])[C@H]1C[NH3+] ZINC000261555498 135194963 /nfs/dbraw/zinc/19/49/63/135194963.db2.gz VBYBWGADLDPPID-MNOVXSKESA-N 3 2 215.341 0.021 20 0 BCADLP C[C@@H]1CCC[N@@H+](CCOCC[NH3+])[C@H]1C[NH3+] ZINC000261555498 135194965 /nfs/dbraw/zinc/19/49/65/135194965.db2.gz VBYBWGADLDPPID-MNOVXSKESA-N 3 2 215.341 0.021 20 0 BCADLP Cn1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)n1 ZINC000548623021 388549097 /nfs/dbraw/zinc/54/90/97/388549097.db2.gz WCSPXQPYQWXHSA-JTQLQIEISA-N 2 2 231.303 0.721 20 0 BCADLP C[NH2+]Cc1noc(CC[C@@H]2CC[NH2+]C2)n1 ZINC000516926711 256806571 /nfs/dbraw/zinc/80/65/71/256806571.db2.gz XUWWFYRZLNPDNW-MRVPVSSYSA-N 2 2 210.281 0.331 20 0 BCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000548311854 388528161 /nfs/dbraw/zinc/52/81/61/388528161.db2.gz LDAAITBBUKAGOR-GHMZBOCLSA-N 2 2 248.330 0.266 20 0 BCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000548311854 388528162 /nfs/dbraw/zinc/52/81/62/388528162.db2.gz LDAAITBBUKAGOR-GHMZBOCLSA-N 2 2 248.330 0.266 20 0 BCADLP C[C@H](CC(=O)N[C@@H](C)CC[NH3+])n1cc[nH+]c1 ZINC000516977488 388530350 /nfs/dbraw/zinc/53/03/50/388530350.db2.gz FENRCYHZJLWCAT-VHSXEESVSA-N 2 2 224.308 0.688 20 0 BCADLP CCC[N@H+](C)CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000517040202 388534525 /nfs/dbraw/zinc/53/45/25/388534525.db2.gz QBECJGZJWKUMOQ-SECBINFHSA-N 2 2 224.308 0.929 20 0 BCADLP CCC[N@@H+](C)CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000517040202 388534528 /nfs/dbraw/zinc/53/45/28/388534528.db2.gz QBECJGZJWKUMOQ-SECBINFHSA-N 2 2 224.308 0.929 20 0 BCADLP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCNC1=O ZINC000245687748 388597789 /nfs/dbraw/zinc/59/77/89/388597789.db2.gz NTLZXCBNMALYRO-QWRGUYRKSA-N 2 2 225.336 0.149 20 0 BCADLP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCNC1=O ZINC000245687748 388597792 /nfs/dbraw/zinc/59/77/92/388597792.db2.gz NTLZXCBNMALYRO-QWRGUYRKSA-N 2 2 225.336 0.149 20 0 BCADLP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1CCNC1=O ZINC000245687748 388597793 /nfs/dbraw/zinc/59/77/93/388597793.db2.gz NTLZXCBNMALYRO-QWRGUYRKSA-N 2 2 225.336 0.149 20 0 BCADLP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCNC1=O ZINC000245687748 388597796 /nfs/dbraw/zinc/59/77/96/388597796.db2.gz NTLZXCBNMALYRO-QWRGUYRKSA-N 2 2 225.336 0.149 20 0 BCADLP CCC[C@@H]1C[NH2+]CCN1Cc1c[nH+]cn1C ZINC000359049732 388555640 /nfs/dbraw/zinc/55/56/40/388555640.db2.gz BXOVGEUVAFNCQB-LLVKDONJSA-N 2 2 222.336 0.994 20 0 BCADLP COC(=O)C(C)(C)CC[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000261566430 135208613 /nfs/dbraw/zinc/20/86/13/135208613.db2.gz DNYCMARQVSZXKO-SECBINFHSA-N 2 2 214.309 0.609 20 0 BCADLP COC(=O)C(C)(C)CC[N@H+]1CC[C@@H]([NH3+])C1 ZINC000261566430 135208614 /nfs/dbraw/zinc/20/86/14/135208614.db2.gz DNYCMARQVSZXKO-SECBINFHSA-N 2 2 214.309 0.609 20 0 BCADLP Cc1c[nH+]cn1CC(=O)NCc1[nH]c[nH+]c1C ZINC000528739854 388565215 /nfs/dbraw/zinc/56/52/15/388565215.db2.gz BPXFGZIJUUKTMY-UHFFFAOYSA-N 2 2 233.275 0.539 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]Cc1cccnc1C ZINC000184538063 388579842 /nfs/dbraw/zinc/57/98/42/388579842.db2.gz DUOMBMZXNNEXFP-UHFFFAOYSA-N 2 2 237.347 0.794 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]Cc1cccnc1C ZINC000184538063 388579844 /nfs/dbraw/zinc/57/98/44/388579844.db2.gz DUOMBMZXNNEXFP-UHFFFAOYSA-N 2 2 237.347 0.794 20 0 BCADLP Cn1cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cn1 ZINC000530177476 388621528 /nfs/dbraw/zinc/62/15/28/388621528.db2.gz IZVPBVJDQMLPBG-LLVKDONJSA-N 2 2 220.320 0.794 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@H]1COCC[NH2+]1 ZINC000530181712 388622494 /nfs/dbraw/zinc/62/24/94/388622494.db2.gz MTLUUIVYUIGJQF-MDZLAQPJSA-N 2 2 239.363 0.047 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@H]1COCC[NH2+]1 ZINC000530181712 388622496 /nfs/dbraw/zinc/62/24/96/388622496.db2.gz MTLUUIVYUIGJQF-MDZLAQPJSA-N 2 2 239.363 0.047 20 0 BCADLP CCn1ncc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000530213075 388627748 /nfs/dbraw/zinc/62/77/48/388627748.db2.gz UOUAJDJBKNKEOL-MWLCHTKSSA-N 2 2 223.324 0.515 20 0 BCADLP CCOC[C@H]1C[N@H+](CCC[NH2+]C)CCO1 ZINC000530231269 388636831 /nfs/dbraw/zinc/63/68/31/388636831.db2.gz HQQNPJYGVYFFCV-LLVKDONJSA-N 2 2 216.325 0.333 20 0 BCADLP CCOC[C@H]1C[N@@H+](CCC[NH2+]C)CCO1 ZINC000530231269 388636834 /nfs/dbraw/zinc/63/68/34/388636834.db2.gz HQQNPJYGVYFFCV-LLVKDONJSA-N 2 2 216.325 0.333 20 0 BCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000551921752 388647540 /nfs/dbraw/zinc/64/75/40/388647540.db2.gz JXNMGFGQIRDKAU-VHSXEESVSA-N 2 2 248.330 0.335 20 0 BCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000551921752 388647541 /nfs/dbraw/zinc/64/75/41/388647541.db2.gz JXNMGFGQIRDKAU-VHSXEESVSA-N 2 2 248.330 0.335 20 0 BCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000551921752 388647544 /nfs/dbraw/zinc/64/75/44/388647544.db2.gz JXNMGFGQIRDKAU-VHSXEESVSA-N 2 2 248.330 0.335 20 0 BCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000551921752 388647546 /nfs/dbraw/zinc/64/75/46/388647546.db2.gz JXNMGFGQIRDKAU-VHSXEESVSA-N 2 2 248.330 0.335 20 0 BCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C[N@@H+]1C ZINC000552012761 388657455 /nfs/dbraw/zinc/65/74/55/388657455.db2.gz CNGVSMZUPGECMA-MNOVXSKESA-N 2 2 236.319 0.434 20 0 BCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C[N@H+]1C ZINC000552012761 388657456 /nfs/dbraw/zinc/65/74/56/388657456.db2.gz CNGVSMZUPGECMA-MNOVXSKESA-N 2 2 236.319 0.434 20 0 BCADLP CC(C)n1c[nH+]cc1C[NH2+][C@H]1CCCNC1=O ZINC000090208992 388746049 /nfs/dbraw/zinc/74/60/49/388746049.db2.gz WHJGRFMKKMKMDE-NSHDSACASA-N 2 2 236.319 0.832 20 0 BCADLP C([NH2+][C@H]1CC[C@@H]1C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423548141 388692853 /nfs/dbraw/zinc/69/28/53/388692853.db2.gz DRGDLZBOMOLWHI-TUAOUCFPSA-N 2 2 210.321 0.753 20 0 BCADLP CN(C)C(=O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230031213 388811826 /nfs/dbraw/zinc/81/18/26/388811826.db2.gz DZHDJNJLJQYILW-UHFFFAOYSA-N 2 2 249.358 0.926 20 0 BCADLP CN(C)C(=O)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230031213 388811830 /nfs/dbraw/zinc/81/18/30/388811830.db2.gz DZHDJNJLJQYILW-UHFFFAOYSA-N 2 2 249.358 0.926 20 0 BCADLP Cc1noc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000228072121 388768525 /nfs/dbraw/zinc/76/85/25/388768525.db2.gz FFEVPVVVVKKDQP-VXNVDRBHSA-N 2 2 210.281 0.547 20 0 BCADLP Cc1noc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000228072121 388768527 /nfs/dbraw/zinc/76/85/27/388768527.db2.gz FFEVPVVVVKKDQP-VXNVDRBHSA-N 2 2 210.281 0.547 20 0 BCADLP COC(=O)CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000540964649 388831457 /nfs/dbraw/zinc/83/14/57/388831457.db2.gz QVVBJTJCMGLDSZ-SNVBAGLBSA-N 2 2 237.303 0.773 20 0 BCADLP COC(=O)CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000540964649 388831460 /nfs/dbraw/zinc/83/14/60/388831460.db2.gz QVVBJTJCMGLDSZ-SNVBAGLBSA-N 2 2 237.303 0.773 20 0 BCADLP Cn1nncc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000129756739 388869358 /nfs/dbraw/zinc/86/93/58/388869358.db2.gz UFLIBKGKPNQUHB-SNVBAGLBSA-N 2 2 223.324 0.247 20 0 BCADLP Cn1nncc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000129756739 388869361 /nfs/dbraw/zinc/86/93/61/388869361.db2.gz UFLIBKGKPNQUHB-SNVBAGLBSA-N 2 2 223.324 0.247 20 0 BCADLP CC(=O)N1CC([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000564666536 388882928 /nfs/dbraw/zinc/88/29/28/388882928.db2.gz DXNHQYISDLFOJB-UHFFFAOYSA-N 2 2 244.298 0.655 20 0 BCADLP C[C@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)Cn1cc[nH+]c1 ZINC000565033413 388909791 /nfs/dbraw/zinc/90/97/91/388909791.db2.gz PQEDOAFDRBIYFP-MXWKQRLJSA-N 2 2 236.319 0.373 20 0 BCADLP CCC[C@@H]1C[N@@H+](C[C@](C)(O)C[NH2+]C)CCO1 ZINC000565094416 388913690 /nfs/dbraw/zinc/91/36/90/388913690.db2.gz YELONPJSUABRFM-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP CCC[C@@H]1C[N@H+](C[C@](C)(O)C[NH2+]C)CCO1 ZINC000565094416 388913686 /nfs/dbraw/zinc/91/36/86/388913686.db2.gz YELONPJSUABRFM-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000565092836 388914070 /nfs/dbraw/zinc/91/40/70/388914070.db2.gz HQOBEFLFEOORPZ-RYUDHWBXSA-N 2 2 230.352 0.314 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000565092836 388914072 /nfs/dbraw/zinc/91/40/72/388914072.db2.gz HQOBEFLFEOORPZ-RYUDHWBXSA-N 2 2 230.352 0.314 20 0 BCADLP CC(=O)N1CC([NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000565218246 388927324 /nfs/dbraw/zinc/92/73/24/388927324.db2.gz MGFZXPSYKKQBID-ZANVPECISA-N 2 2 237.347 0.289 20 0 BCADLP CC(=O)N1CC([NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000565218244 388927401 /nfs/dbraw/zinc/92/74/01/388927401.db2.gz MGFZXPSYKKQBID-TVQRCGJNSA-N 2 2 237.347 0.289 20 0 BCADLP [NH3+]Cc1cc(C(=O)NCC(F)(F)C[NH3+])co1 ZINC000565480890 388949004 /nfs/dbraw/zinc/94/90/04/388949004.db2.gz WXRYXUAGTVLEAX-UHFFFAOYSA-N 2 2 233.218 0.062 20 0 BCADLP C[NH+](C)CCCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000565480388 388949074 /nfs/dbraw/zinc/94/90/74/388949074.db2.gz YOPUPMKVOHTBIR-VIFPVBQESA-N 2 2 242.348 0.211 20 0 BCADLP CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000565956309 388981385 /nfs/dbraw/zinc/98/13/85/388981385.db2.gz DVPRKJMMLNYCHF-SNVBAGLBSA-N 2 2 222.292 0.094 20 0 BCADLP CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000565956309 388981386 /nfs/dbraw/zinc/98/13/86/388981386.db2.gz DVPRKJMMLNYCHF-SNVBAGLBSA-N 2 2 222.292 0.094 20 0 BCADLP c1ncc(C[NH2+]CCC[NH+]2CCC2)cn1 ZINC000565962882 388981422 /nfs/dbraw/zinc/98/14/22/388981422.db2.gz XQTTXKMEFJIHOK-UHFFFAOYSA-N 2 2 206.293 0.662 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000566088499 388984065 /nfs/dbraw/zinc/98/40/65/388984065.db2.gz VWGIKLKQWWXDEO-JQWIXIFHSA-N 3 2 211.353 0.526 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000566088499 388984068 /nfs/dbraw/zinc/98/40/68/388984068.db2.gz VWGIKLKQWWXDEO-JQWIXIFHSA-N 3 2 211.353 0.526 20 0 BCADLP Cn1c[nH+]cc1C[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000267651402 389000648 /nfs/dbraw/zinc/00/06/48/389000648.db2.gz XQVIXNDUMMSXJC-VIFPVBQESA-N 2 2 224.308 0.410 20 0 BCADLP Cc1cccc(N2CC[NH+](C[C@H](C)O)CC2)[nH+]1 ZINC000275008231 132204384 /nfs/dbraw/zinc/20/43/84/132204384.db2.gz IMUZERHOEODMSK-LBPRGKRZSA-N 2 2 235.331 0.893 20 0 BCADLP CC(C)[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302018359 132259547 /nfs/dbraw/zinc/25/95/47/132259547.db2.gz GNEJADBGWXZLPC-UHFFFAOYSA-N 2 2 248.330 0.711 20 0 BCADLP CC[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302026556 132260257 /nfs/dbraw/zinc/26/02/57/132260257.db2.gz LGNPJQZAGKEGQK-UHFFFAOYSA-N 2 2 234.303 0.322 20 0 BCADLP C[C@H]1C[N@H+](C)CCN1c1cc[nH+]c(N(C)C)n1 ZINC000354351338 132269607 /nfs/dbraw/zinc/26/96/07/132269607.db2.gz CPGGNPZEOBUYBW-JTQLQIEISA-N 2 2 235.335 0.683 20 0 BCADLP C[C@H]1C[N@@H+](C)CCN1c1cc[nH+]c(N(C)C)n1 ZINC000354351338 132269609 /nfs/dbraw/zinc/26/96/09/132269609.db2.gz CPGGNPZEOBUYBW-JTQLQIEISA-N 2 2 235.335 0.683 20 0 BCADLP C[C@H]([NH3+])C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000378526377 132290025 /nfs/dbraw/zinc/29/00/25/132290025.db2.gz NBAOTLSRJIPGPC-WDEREUQCSA-N 2 2 248.330 0.514 20 0 BCADLP Cc1cc(C)nc(N2CC[NH+](CCC[NH3+])CC2)n1 ZINC000035676082 132295091 /nfs/dbraw/zinc/29/50/91/132295091.db2.gz IXAMLTBLPZKQLV-UHFFFAOYSA-N 2 2 249.362 0.564 20 0 BCADLP [NH3+]CCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000011755435 132320350 /nfs/dbraw/zinc/32/03/50/132320350.db2.gz NGYWMSQABRGJNI-UHFFFAOYSA-N 2 2 248.330 0.469 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c[nH+]1 ZINC000335481732 133880984 /nfs/dbraw/zinc/88/09/84/133880984.db2.gz YTKYLNOEDUORCR-CBAPKCEASA-N 2 2 222.292 0.588 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CC[NH+]1CCOCC1 ZINC000351933166 134014452 /nfs/dbraw/zinc/01/44/52/134014452.db2.gz AJRCKWRQUXNACV-QWHCGFSZSA-N 2 2 241.379 0.343 20 0 BCADLP [NH3+]C1(CNC(=O)c2ccc3[nH+]ccn3c2)CCC1 ZINC000335985432 134038600 /nfs/dbraw/zinc/03/86/00/134038600.db2.gz WUYGODWVXICYCT-UHFFFAOYSA-N 2 2 244.298 0.946 20 0 BCADLP Cn1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000336005037 134048354 /nfs/dbraw/zinc/04/83/54/134048354.db2.gz FLWSEPMXYVONGF-SNVBAGLBSA-N 2 2 231.303 0.790 20 0 BCADLP Cn1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cn1 ZINC000336005037 134048355 /nfs/dbraw/zinc/04/83/55/134048355.db2.gz FLWSEPMXYVONGF-SNVBAGLBSA-N 2 2 231.303 0.790 20 0 BCADLP C[C@@H]1CC[N@H+](C)CCN1Cc1[nH+]ccn1C ZINC000336164634 134112659 /nfs/dbraw/zinc/11/26/59/134112659.db2.gz OOFGUBKKLUGIGT-LLVKDONJSA-N 2 2 222.336 0.946 20 0 BCADLP C[C@@H]1CC[N@@H+](C)CCN1Cc1[nH+]ccn1C ZINC000336164634 134112660 /nfs/dbraw/zinc/11/26/60/134112660.db2.gz OOFGUBKKLUGIGT-LLVKDONJSA-N 2 2 222.336 0.946 20 0 BCADLP C[NH+](C)CC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000167916420 134154578 /nfs/dbraw/zinc/15/45/78/134154578.db2.gz XCLSGAHEYQOTED-UHFFFAOYSA-N 2 2 233.315 0.684 20 0 BCADLP CCNC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372989573 134233354 /nfs/dbraw/zinc/23/33/54/134233354.db2.gz KMZGXWFSRVUXET-LLVKDONJSA-N 2 2 227.352 0.539 20 0 BCADLP CCNC(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372989573 134233355 /nfs/dbraw/zinc/23/33/55/134233355.db2.gz KMZGXWFSRVUXET-LLVKDONJSA-N 2 2 227.352 0.539 20 0 BCADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCC)C1 ZINC000177035895 134294250 /nfs/dbraw/zinc/29/42/50/134294250.db2.gz DWOSIIZFGJBCHC-GFCCVEGCSA-N 2 2 241.379 0.786 20 0 BCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCC)C1 ZINC000177035895 134294251 /nfs/dbraw/zinc/29/42/51/134294251.db2.gz DWOSIIZFGJBCHC-GFCCVEGCSA-N 2 2 241.379 0.786 20 0 BCADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCC)C1 ZINC000177035895 134294252 /nfs/dbraw/zinc/29/42/52/134294252.db2.gz DWOSIIZFGJBCHC-GFCCVEGCSA-N 2 2 241.379 0.786 20 0 BCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCC)C1 ZINC000177035895 134294253 /nfs/dbraw/zinc/29/42/53/134294253.db2.gz DWOSIIZFGJBCHC-GFCCVEGCSA-N 2 2 241.379 0.786 20 0 BCADLP Cn1cc(C[N@H+](C)CC(C)(C)C[NH3+])nn1 ZINC000220324660 134302965 /nfs/dbraw/zinc/30/29/65/134302965.db2.gz HCLQUXNQRPEYAW-UHFFFAOYSA-N 2 2 211.313 0.232 20 0 BCADLP Cn1cc(C[N@@H+](C)CC(C)(C)C[NH3+])nn1 ZINC000220324660 134302966 /nfs/dbraw/zinc/30/29/66/134302966.db2.gz HCLQUXNQRPEYAW-UHFFFAOYSA-N 2 2 211.313 0.232 20 0 BCADLP CN(C(=O)c1ccc2[nH+]ccn2c1)[C@H]1CC[NH2+]C1 ZINC000179072188 134314567 /nfs/dbraw/zinc/31/45/67/134314567.db2.gz UMONLCUZTYEAAO-NSHDSACASA-N 2 2 244.298 0.768 20 0 BCADLP [NH3+][C@H](CNC(=O)c1ccc2[nH+]ccn2c1)C1CC1 ZINC000179571008 134321902 /nfs/dbraw/zinc/32/19/02/134321902.db2.gz LOELLLDCLRINFJ-LLVKDONJSA-N 2 2 244.298 0.801 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221788550 134326178 /nfs/dbraw/zinc/32/61/78/134326178.db2.gz PYXVEKKEEIQLNR-DCAQKATOSA-N 2 2 227.352 0.583 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221788550 134326179 /nfs/dbraw/zinc/32/61/79/134326179.db2.gz PYXVEKKEEIQLNR-DCAQKATOSA-N 2 2 227.352 0.583 20 0 BCADLP CCn1cnnc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222027372 134329158 /nfs/dbraw/zinc/32/91/58/134329158.db2.gz KNEZPDMFAAGYLY-QWRGUYRKSA-N 2 2 237.351 0.870 20 0 BCADLP CCn1cnnc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222027372 134329159 /nfs/dbraw/zinc/32/91/59/134329159.db2.gz KNEZPDMFAAGYLY-QWRGUYRKSA-N 2 2 237.351 0.870 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)CC[N@@H+]1C ZINC000222608431 134333693 /nfs/dbraw/zinc/33/36/93/134333693.db2.gz IBYJUUMRZORNSY-IWSPIJDZSA-N 2 2 240.269 0.982 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)CC[N@H+]1C ZINC000222608431 134333694 /nfs/dbraw/zinc/33/36/94/134333694.db2.gz IBYJUUMRZORNSY-IWSPIJDZSA-N 2 2 240.269 0.982 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCOC1 ZINC000226922932 134371731 /nfs/dbraw/zinc/37/17/31/134371731.db2.gz INZATGSPPIVVPQ-NEPJUHHUSA-N 2 2 227.352 0.001 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCOC1 ZINC000226922932 134371732 /nfs/dbraw/zinc/37/17/32/134371732.db2.gz INZATGSPPIVVPQ-NEPJUHHUSA-N 2 2 227.352 0.001 20 0 BCADLP c1cn(CC[N@@H+]2CCO[C@]3(CCOC3)C2)c[nH+]1 ZINC000185193175 134372817 /nfs/dbraw/zinc/37/28/17/134372817.db2.gz BUNFEVDTLLIIBG-GFCCVEGCSA-N 2 2 237.303 0.374 20 0 BCADLP c1cn(CC[N@H+]2CCO[C@]3(CCOC3)C2)c[nH+]1 ZINC000185193175 134372818 /nfs/dbraw/zinc/37/28/18/134372818.db2.gz BUNFEVDTLLIIBG-GFCCVEGCSA-N 2 2 237.303 0.374 20 0 BCADLP CC[C@@H](COC)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000070656832 135007706 /nfs/dbraw/zinc/00/77/06/135007706.db2.gz CNDGKVXNCHBXNW-RYUDHWBXSA-N 2 2 229.368 0.247 20 0 BCADLP CC[C@@H](COC)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000070656832 135007708 /nfs/dbraw/zinc/00/77/08/135007708.db2.gz CNDGKVXNCHBXNW-RYUDHWBXSA-N 2 2 229.368 0.247 20 0 BCADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(N)=O ZINC000076176573 135014715 /nfs/dbraw/zinc/01/47/15/135014715.db2.gz HNRYUVXHPVAWDN-SNVBAGLBSA-N 2 2 213.325 0.278 20 0 BCADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(N)=O ZINC000076176573 135014717 /nfs/dbraw/zinc/01/47/17/135014717.db2.gz HNRYUVXHPVAWDN-SNVBAGLBSA-N 2 2 213.325 0.278 20 0 BCADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(N)=O ZINC000076176573 135014718 /nfs/dbraw/zinc/01/47/18/135014718.db2.gz HNRYUVXHPVAWDN-SNVBAGLBSA-N 2 2 213.325 0.278 20 0 BCADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(N)=O ZINC000076176573 135014721 /nfs/dbraw/zinc/01/47/21/135014721.db2.gz HNRYUVXHPVAWDN-SNVBAGLBSA-N 2 2 213.325 0.278 20 0 BCADLP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H](CO)O1 ZINC000248820711 135023181 /nfs/dbraw/zinc/02/31/81/135023181.db2.gz JETLLFCWFWGGEC-AGIUHOORSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H](CO)O1 ZINC000248820711 135023183 /nfs/dbraw/zinc/02/31/83/135023183.db2.gz JETLLFCWFWGGEC-AGIUHOORSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@@H](CO)O1 ZINC000248820711 135023184 /nfs/dbraw/zinc/02/31/84/135023184.db2.gz JETLLFCWFWGGEC-AGIUHOORSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@@H](CO)O1 ZINC000248820711 135023185 /nfs/dbraw/zinc/02/31/85/135023185.db2.gz JETLLFCWFWGGEC-AGIUHOORSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH2+]CC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000237244946 135070787 /nfs/dbraw/zinc/07/07/87/135070787.db2.gz CCGSCIRDFUTVCH-UHFFFAOYSA-N 2 2 248.330 0.517 20 0 BCADLP CC(C)CNC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638505 135091550 /nfs/dbraw/zinc/09/15/50/135091550.db2.gz QERYVJZNVPPHLQ-UHFFFAOYSA-N 2 2 229.368 0.675 20 0 BCADLP CC(C)CNC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638505 135091551 /nfs/dbraw/zinc/09/15/51/135091551.db2.gz QERYVJZNVPPHLQ-UHFFFAOYSA-N 2 2 229.368 0.675 20 0 BCADLP c1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c[nH]1 ZINC000252543498 135092118 /nfs/dbraw/zinc/09/21/18/135092118.db2.gz HDJOTXQLWOFFGM-QWHCGFSZSA-N 2 2 235.331 0.968 20 0 BCADLP c1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c[nH]1 ZINC000252543498 135092121 /nfs/dbraw/zinc/09/21/21/135092121.db2.gz HDJOTXQLWOFFGM-QWHCGFSZSA-N 2 2 235.331 0.968 20 0 BCADLP c1ncc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cn1 ZINC000252667030 135095895 /nfs/dbraw/zinc/09/58/95/135095895.db2.gz FSEUEYBSKNLKPU-STQMWFEESA-N 2 2 248.330 0.429 20 0 BCADLP c1ncc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cn1 ZINC000252667030 135095896 /nfs/dbraw/zinc/09/58/96/135095896.db2.gz FSEUEYBSKNLKPU-STQMWFEESA-N 2 2 248.330 0.429 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886761 135100037 /nfs/dbraw/zinc/10/00/37/135100037.db2.gz AVOYRZPUSJOYDW-MNOVXSKESA-N 2 2 227.352 0.572 20 0 BCADLP CCCCNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886761 135100040 /nfs/dbraw/zinc/10/00/40/135100040.db2.gz AVOYRZPUSJOYDW-MNOVXSKESA-N 2 2 227.352 0.572 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2)C[N@@H+]1C1CC1 ZINC000252713578 135100219 /nfs/dbraw/zinc/10/02/19/135100219.db2.gz POORYMCQSFNQCL-OUAUKWLOSA-N 2 2 237.347 0.480 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2)C[N@H+]1C1CC1 ZINC000252713578 135100221 /nfs/dbraw/zinc/10/02/21/135100221.db2.gz POORYMCQSFNQCL-OUAUKWLOSA-N 2 2 237.347 0.480 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886661 135100751 /nfs/dbraw/zinc/10/07/51/135100751.db2.gz TUVXXETZLKMPMK-MNOVXSKESA-N 2 2 227.352 0.428 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886661 135100754 /nfs/dbraw/zinc/10/07/54/135100754.db2.gz TUVXXETZLKMPMK-MNOVXSKESA-N 2 2 227.352 0.428 20 0 BCADLP CC(C)(C)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261554530 135108954 /nfs/dbraw/zinc/10/89/54/135108954.db2.gz OVZNLJQIAKAQPP-CYBMUJFWSA-N 2 2 239.363 0.587 20 0 BCADLP CC(C)(C)NC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261554530 135108956 /nfs/dbraw/zinc/10/89/56/135108956.db2.gz OVZNLJQIAKAQPP-CYBMUJFWSA-N 2 2 239.363 0.587 20 0 BCADLP CN(C(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)C1CC1 ZINC000261548887 135109207 /nfs/dbraw/zinc/10/92/07/135109207.db2.gz JYAKGNFFLIHRLE-CMPLNLGQSA-N 2 2 237.347 0.291 20 0 BCADLP CN(C(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)C1CC1 ZINC000261548887 135109208 /nfs/dbraw/zinc/10/92/08/135109208.db2.gz JYAKGNFFLIHRLE-CMPLNLGQSA-N 2 2 237.347 0.291 20 0 BCADLP CCC[C@H](O)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000253016814 135119230 /nfs/dbraw/zinc/11/92/30/135119230.db2.gz HPDAOVWCJVAYIQ-WOPDTQHZSA-N 2 2 230.352 0.504 20 0 BCADLP Cn1nncc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253183101 135123253 /nfs/dbraw/zinc/12/32/53/135123253.db2.gz GGHIHXTVYCXYAQ-QWRGUYRKSA-N 2 2 235.335 0.532 20 0 BCADLP Cn1nncc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253183101 135123255 /nfs/dbraw/zinc/12/32/55/135123255.db2.gz GGHIHXTVYCXYAQ-QWRGUYRKSA-N 2 2 235.335 0.532 20 0 BCADLP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263170311 135125148 /nfs/dbraw/zinc/12/51/48/135125148.db2.gz FQRUFNUPZULFLO-BDAKNGLRSA-N 2 2 247.289 0.146 20 0 BCADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)CC[C@H]1O ZINC000253313759 135126475 /nfs/dbraw/zinc/12/64/75/135126475.db2.gz XDELYXDOGPCCFQ-WDEREUQCSA-N 2 2 209.293 0.586 20 0 BCADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)CC[C@H]1O ZINC000253313759 135126476 /nfs/dbraw/zinc/12/64/76/135126476.db2.gz XDELYXDOGPCCFQ-WDEREUQCSA-N 2 2 209.293 0.586 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+](C)CCC[NH2+]C ZINC000087472811 135142238 /nfs/dbraw/zinc/14/22/38/135142238.db2.gz UCMFNJKDCRWVFQ-JTQLQIEISA-N 2 2 215.341 0.442 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+](C)CCC[NH2+]C ZINC000087472811 135142239 /nfs/dbraw/zinc/14/22/39/135142239.db2.gz UCMFNJKDCRWVFQ-JTQLQIEISA-N 2 2 215.341 0.442 20 0 BCADLP C[NH2+]CCC[N@H+](C)CC(=O)N[C@@H](C)C(C)C ZINC000087472685 135142262 /nfs/dbraw/zinc/14/22/62/135142262.db2.gz INCRDDVFGBFOOT-NSHDSACASA-N 2 2 229.368 0.688 20 0 BCADLP C[NH2+]CCC[N@@H+](C)CC(=O)N[C@@H](C)C(C)C ZINC000087472685 135142264 /nfs/dbraw/zinc/14/22/64/135142264.db2.gz INCRDDVFGBFOOT-NSHDSACASA-N 2 2 229.368 0.688 20 0 BCADLP C[NH2+]CCC[N@H+](C)CC(=O)N[C@H](C)C(C)C ZINC000087472684 135142336 /nfs/dbraw/zinc/14/23/36/135142336.db2.gz INCRDDVFGBFOOT-LLVKDONJSA-N 2 2 229.368 0.688 20 0 BCADLP C[NH2+]CCC[N@@H+](C)CC(=O)N[C@H](C)C(C)C ZINC000087472684 135142337 /nfs/dbraw/zinc/14/23/37/135142337.db2.gz INCRDDVFGBFOOT-LLVKDONJSA-N 2 2 229.368 0.688 20 0 BCADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)NCC(C)C ZINC000087472603 135142937 /nfs/dbraw/zinc/14/29/37/135142937.db2.gz SNKRRCMHMJIVCS-NSHDSACASA-N 2 2 229.368 0.688 20 0 BCADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)NCC(C)C ZINC000087472603 135142938 /nfs/dbraw/zinc/14/29/38/135142938.db2.gz SNKRRCMHMJIVCS-NSHDSACASA-N 2 2 229.368 0.688 20 0 BCADLP CCCNC(=O)[C@H](C)[N@H+](C)CCC[NH2+]C ZINC000087472607 135143272 /nfs/dbraw/zinc/14/32/72/135143272.db2.gz LNDDXYXWGMCKJQ-JTQLQIEISA-N 2 2 215.341 0.442 20 0 BCADLP CCCNC(=O)[C@H](C)[N@@H+](C)CCC[NH2+]C ZINC000087472607 135143273 /nfs/dbraw/zinc/14/32/73/135143273.db2.gz LNDDXYXWGMCKJQ-JTQLQIEISA-N 2 2 215.341 0.442 20 0 BCADLP CCN(CC)C(=O)[C@@H](C)[N@H+](C)CCC[NH2+]C ZINC000087472561 135143641 /nfs/dbraw/zinc/14/36/41/135143641.db2.gz VKYHGMJQWRNSMR-LLVKDONJSA-N 2 2 229.368 0.785 20 0 BCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+](C)CCC[NH2+]C ZINC000087472561 135143643 /nfs/dbraw/zinc/14/36/43/135143643.db2.gz VKYHGMJQWRNSMR-LLVKDONJSA-N 2 2 229.368 0.785 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000261533115 135163992 /nfs/dbraw/zinc/16/39/92/135163992.db2.gz VQYXBUFGPXHUEZ-WCBMZHEXSA-N 2 2 221.260 0.051 20 0 BCADLP C[C@@H]1[NH2+]CCN(Cc2c[nH+]cn2C)[C@H]1C ZINC000261540844 135180360 /nfs/dbraw/zinc/18/03/60/135180360.db2.gz FIWQAESMWARWTI-UWVGGRQHSA-N 2 2 208.309 0.602 20 0 BCADLP [NH3+]C1(C(=O)NCc2c[nH+]c[nH]2)CCCCC1 ZINC000084081176 135181059 /nfs/dbraw/zinc/18/10/59/135181059.db2.gz VFJPDYOYFLCSGA-UHFFFAOYSA-N 2 2 222.292 0.688 20 0 BCADLP [NH3+]C1(C(=O)NCc2c[nH]c[nH+]2)CCCCC1 ZINC000084081176 135181061 /nfs/dbraw/zinc/18/10/61/135181061.db2.gz VFJPDYOYFLCSGA-UHFFFAOYSA-N 2 2 222.292 0.688 20 0 BCADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000084216430 135192480 /nfs/dbraw/zinc/19/24/80/135192480.db2.gz ZJYCTXMWQYJMGY-NWDGAFQWSA-N 3 2 222.336 0.990 20 0 BCADLP O=C(CC[C@@H]1CCC[NH2+]1)NCCc1[nH]cc[nH+]1 ZINC000261555276 135195201 /nfs/dbraw/zinc/19/52/01/135195201.db2.gz PRYCNAPQULPCSI-JTQLQIEISA-N 2 2 236.319 0.601 20 0 BCADLP C[C@H]1CCC[N@H+](CCOCC[NH3+])[C@H]1C[NH3+] ZINC000261555499 135195500 /nfs/dbraw/zinc/19/55/00/135195500.db2.gz VBYBWGADLDPPID-QWRGUYRKSA-N 3 2 215.341 0.021 20 0 BCADLP C[C@H]1CCC[N@@H+](CCOCC[NH3+])[C@H]1C[NH3+] ZINC000261555499 135195502 /nfs/dbraw/zinc/19/55/02/135195502.db2.gz VBYBWGADLDPPID-QWRGUYRKSA-N 3 2 215.341 0.021 20 0 BCADLP c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)n[nH]1 ZINC000261555990 135195844 /nfs/dbraw/zinc/19/58/44/135195844.db2.gz VNBGRCRFBVGTQZ-VHSXEESVSA-N 2 2 206.293 0.451 20 0 BCADLP c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)n[nH]1 ZINC000261555990 135195845 /nfs/dbraw/zinc/19/58/45/135195845.db2.gz VNBGRCRFBVGTQZ-VHSXEESVSA-N 2 2 206.293 0.451 20 0 BCADLP Cc1c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cnn1C ZINC000261556432 135196780 /nfs/dbraw/zinc/19/67/80/135196780.db2.gz QRBBGUSUEBNWPI-YPMHNXCESA-N 2 2 234.347 0.770 20 0 BCADLP Cc1c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cnn1C ZINC000261556432 135196781 /nfs/dbraw/zinc/19/67/81/135196781.db2.gz QRBBGUSUEBNWPI-YPMHNXCESA-N 2 2 234.347 0.770 20 0 BCADLP Cc1nn(C)cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261557790 135198453 /nfs/dbraw/zinc/19/84/53/135198453.db2.gz SASVJUNRINAXMV-VXGBXAGGSA-N 2 2 234.347 0.770 20 0 BCADLP Cc1nn(C)cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261557790 135198455 /nfs/dbraw/zinc/19/84/55/135198455.db2.gz SASVJUNRINAXMV-VXGBXAGGSA-N 2 2 234.347 0.770 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000261557828 135198519 /nfs/dbraw/zinc/19/85/19/135198519.db2.gz XQEKWYYKKFDKDW-SNVBAGLBSA-N 2 2 208.309 0.841 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000261557828 135198520 /nfs/dbraw/zinc/19/85/20/135198520.db2.gz XQEKWYYKKFDKDW-SNVBAGLBSA-N 2 2 208.309 0.841 20 0 BCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCC1CC1 ZINC000261558837 135199378 /nfs/dbraw/zinc/19/93/78/135199378.db2.gz SSWBMRITMXTAQJ-NEPJUHHUSA-N 2 2 237.347 0.054 20 0 BCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCC1CC1 ZINC000261558837 135199379 /nfs/dbraw/zinc/19/93/79/135199379.db2.gz SSWBMRITMXTAQJ-NEPJUHHUSA-N 2 2 237.347 0.054 20 0 BCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NCC1CC1 ZINC000261558838 135199411 /nfs/dbraw/zinc/19/94/11/135199411.db2.gz SSWBMRITMXTAQJ-NWDGAFQWSA-N 2 2 237.347 0.054 20 0 BCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NCC1CC1 ZINC000261558838 135199412 /nfs/dbraw/zinc/19/94/12/135199412.db2.gz SSWBMRITMXTAQJ-NWDGAFQWSA-N 2 2 237.347 0.054 20 0 BCADLP C[C@@H]1[NH2+]CCN(Cc2[nH+]ccn2C)[C@H]1C ZINC000261560059 135200458 /nfs/dbraw/zinc/20/04/58/135200458.db2.gz ZLNYHNFAZWWFEH-UWVGGRQHSA-N 2 2 208.309 0.602 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261567036 135209343 /nfs/dbraw/zinc/20/93/43/135209343.db2.gz DVKKXTAGSGLGKI-JQWIXIFHSA-N 2 2 220.320 0.604 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261569725 135211843 /nfs/dbraw/zinc/21/18/43/135211843.db2.gz GMRSYLSTDISALX-QWRGUYRKSA-N 2 2 225.336 0.052 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261569725 135211844 /nfs/dbraw/zinc/21/18/44/135211844.db2.gz GMRSYLSTDISALX-QWRGUYRKSA-N 2 2 225.336 0.052 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261571238 135212841 /nfs/dbraw/zinc/21/28/41/135212841.db2.gz KYSPRCASQDFRDP-NWDGAFQWSA-N 2 2 248.330 0.341 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261571235 135213288 /nfs/dbraw/zinc/21/32/88/135213288.db2.gz KYSPRCASQDFRDP-NEPJUHHUSA-N 2 2 248.330 0.341 20 0 BCADLP Cc1[nH]ncc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000261572005 135214373 /nfs/dbraw/zinc/21/43/73/135214373.db2.gz HYJUGLMDBHIESU-WPRPVWTQSA-N 2 2 208.309 0.887 20 0 BCADLP Cc1[nH]ncc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000261572005 135214375 /nfs/dbraw/zinc/21/43/75/135214375.db2.gz HYJUGLMDBHIESU-WPRPVWTQSA-N 2 2 208.309 0.887 20 0 BCADLP OC1(C2CC2)C[NH+](CCCn2cc[nH+]c2)C1 ZINC000084377000 135214991 /nfs/dbraw/zinc/21/49/91/135214991.db2.gz FPXWGNHLDFOEHT-UHFFFAOYSA-N 2 2 221.304 0.730 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCn1cncn1 ZINC000261577113 135218208 /nfs/dbraw/zinc/21/82/08/135218208.db2.gz KXHRWPUWACJQIC-QWRGUYRKSA-N 2 2 223.324 0.480 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCn1cncn1 ZINC000261577113 135218209 /nfs/dbraw/zinc/21/82/09/135218209.db2.gz KXHRWPUWACJQIC-QWRGUYRKSA-N 2 2 223.324 0.480 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCn1cncn1 ZINC000261577110 135218543 /nfs/dbraw/zinc/21/85/43/135218543.db2.gz KXHRWPUWACJQIC-GHMZBOCLSA-N 2 2 223.324 0.480 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCn1cncn1 ZINC000261577110 135218544 /nfs/dbraw/zinc/21/85/44/135218544.db2.gz KXHRWPUWACJQIC-GHMZBOCLSA-N 2 2 223.324 0.480 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000261584557 135225755 /nfs/dbraw/zinc/22/57/55/135225755.db2.gz PYKUBTBMLKJYLK-PSASIEDQSA-N 2 2 211.309 0.077 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000261584557 135225756 /nfs/dbraw/zinc/22/57/56/135225756.db2.gz PYKUBTBMLKJYLK-PSASIEDQSA-N 2 2 211.309 0.077 20 0 BCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000261585498 135226892 /nfs/dbraw/zinc/22/68/92/135226892.db2.gz QMKYGYDIQQJDEN-SECBINFHSA-N 2 2 213.325 0.276 20 0 BCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)(C)[NH3+] ZINC000261585498 135226893 /nfs/dbraw/zinc/22/68/93/135226893.db2.gz QMKYGYDIQQJDEN-SECBINFHSA-N 2 2 213.325 0.276 20 0 BCADLP CCCNC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000261589010 135229308 /nfs/dbraw/zinc/22/93/08/135229308.db2.gz STLWNCKZQCKNLR-LLVKDONJSA-N 2 2 213.325 0.230 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261593131 135233705 /nfs/dbraw/zinc/23/37/05/135233705.db2.gz WPRKNVDMPLFNHP-MNOVXSKESA-N 2 2 220.320 0.604 20 0 BCADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)NCC1CC1 ZINC000261548238 135241499 /nfs/dbraw/zinc/24/14/99/135241499.db2.gz JDUQECJMTHBVBT-CYBMUJFWSA-N 2 2 237.347 0.198 20 0 BCADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)NCC1CC1 ZINC000261548238 135241500 /nfs/dbraw/zinc/24/15/00/135241500.db2.gz JDUQECJMTHBVBT-CYBMUJFWSA-N 2 2 237.347 0.198 20 0 BCADLP C[C@@H]([NH3+])C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000261672822 135245363 /nfs/dbraw/zinc/24/53/63/135245363.db2.gz AUHWVODLFHONNO-SECBINFHSA-N 2 2 245.286 0.231 20 0 BCADLP CC(=O)N1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261677350 135245370 /nfs/dbraw/zinc/24/53/70/135245370.db2.gz AAYGCQBSGXOXMZ-LBPRGKRZSA-N 2 2 225.336 0.150 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000261711353 135247323 /nfs/dbraw/zinc/24/73/23/135247323.db2.gz MMAHGFNYMPTFHZ-OCCSQVGLSA-N 2 2 247.342 0.884 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000261711353 135247324 /nfs/dbraw/zinc/24/73/24/135247324.db2.gz MMAHGFNYMPTFHZ-OCCSQVGLSA-N 2 2 247.342 0.884 20 0 BCADLP C[C@]1(C[NH3+])CC[N@@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000261711348 135247663 /nfs/dbraw/zinc/24/76/63/135247663.db2.gz MMAHGFNYMPTFHZ-GXTWGEPZSA-N 2 2 247.342 0.884 20 0 BCADLP C[C@]1(C[NH3+])CC[N@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000261711348 135247665 /nfs/dbraw/zinc/24/76/65/135247665.db2.gz MMAHGFNYMPTFHZ-GXTWGEPZSA-N 2 2 247.342 0.884 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000261775908 135252055 /nfs/dbraw/zinc/25/20/55/135252055.db2.gz DZWOKTIJDNOGIG-SNVBAGLBSA-N 2 2 240.351 0.260 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000261775908 135252057 /nfs/dbraw/zinc/25/20/57/135252057.db2.gz DZWOKTIJDNOGIG-SNVBAGLBSA-N 2 2 240.351 0.260 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261923772 135263458 /nfs/dbraw/zinc/26/34/58/135263458.db2.gz XYLWXVFYONZBJF-SNVBAGLBSA-N 2 2 236.319 0.724 20 0 BCADLP C[C@@]1(C[NH+]2CCN(CC(F)F)CC2)CC[NH2+]C1 ZINC000261988114 135269606 /nfs/dbraw/zinc/26/96/06/135269606.db2.gz KADHAVLJVDSLBV-GFCCVEGCSA-N 2 2 247.333 0.869 20 0 BCADLP C[C@H]1CCCC[C@@H]1OCC[N@H+](CC[NH3+])CCO ZINC000342386896 135270176 /nfs/dbraw/zinc/27/01/76/135270176.db2.gz LRVRSEORVCVIKZ-STQMWFEESA-N 2 2 244.379 0.835 20 0 BCADLP C[C@H]1CCCC[C@@H]1OCC[N@@H+](CC[NH3+])CCO ZINC000342386896 135270178 /nfs/dbraw/zinc/27/01/78/135270178.db2.gz LRVRSEORVCVIKZ-STQMWFEESA-N 2 2 244.379 0.835 20 0 BCADLP CC1(C)C[N@H+](CCNC2=[NH+]CCCN2)CCO1 ZINC000262009973 135272004 /nfs/dbraw/zinc/27/20/04/135272004.db2.gz WIUCUXIYTLULSG-UHFFFAOYSA-N 2 2 240.351 0.036 20 0 BCADLP CC1(C)C[N@@H+](CCNC2=[NH+]CCCN2)CCO1 ZINC000262009973 135272005 /nfs/dbraw/zinc/27/20/05/135272005.db2.gz WIUCUXIYTLULSG-UHFFFAOYSA-N 2 2 240.351 0.036 20 0 BCADLP C[C@]1(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)CC[NH2+]C1 ZINC000262009234 135272082 /nfs/dbraw/zinc/27/20/82/135272082.db2.gz MDGMWHLLOOBZRD-YPMHNXCESA-N 2 2 237.347 0.293 20 0 BCADLP C[C@]1(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)CC[NH2+]C1 ZINC000262009234 135272083 /nfs/dbraw/zinc/27/20/83/135272083.db2.gz MDGMWHLLOOBZRD-YPMHNXCESA-N 2 2 237.347 0.293 20 0 BCADLP COC(=O)[C@H]1CC12CC[NH+](CC(C)(C)[NH3+])CC2 ZINC000262028091 135273752 /nfs/dbraw/zinc/27/37/52/135273752.db2.gz WWAQIUFVPUACOY-SNVBAGLBSA-N 2 2 240.347 0.999 20 0 BCADLP CCC[C@H]1C(=O)NCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262079553 135277560 /nfs/dbraw/zinc/27/75/60/135277560.db2.gz SWJLFLYZUJZAFK-WCQYABFASA-N 2 2 239.363 0.587 20 0 BCADLP CCC[C@H]1C(=O)NCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262079553 135277561 /nfs/dbraw/zinc/27/75/61/135277561.db2.gz SWJLFLYZUJZAFK-WCQYABFASA-N 2 2 239.363 0.587 20 0 BCADLP Cn1nncc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262093925 135278939 /nfs/dbraw/zinc/27/89/39/135278939.db2.gz VAGHMNSZIBNBGP-LLVKDONJSA-N 2 2 221.308 0.001 20 0 BCADLP Cn1nncc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262093925 135278942 /nfs/dbraw/zinc/27/89/42/135278942.db2.gz VAGHMNSZIBNBGP-LLVKDONJSA-N 2 2 221.308 0.001 20 0 BCADLP C[C@](C[NH3+])([NH2+]Cc1cn2cccnc2n1)C1CC1 ZINC000262185825 135284771 /nfs/dbraw/zinc/28/47/71/135284771.db2.gz XRHAZJSGDYVJOF-CYBMUJFWSA-N 2 2 245.330 0.946 20 0 BCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000262678851 135313171 /nfs/dbraw/zinc/31/31/71/135313171.db2.gz VDZJLXBVVGKPDU-NSHDSACASA-N 2 2 248.330 0.373 20 0 BCADLP Cc1cc(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc[nH+]1 ZINC000334287697 135340288 /nfs/dbraw/zinc/34/02/88/135340288.db2.gz YDICBFHVCKGLIF-YPMHNXCESA-N 2 2 231.299 0.750 20 0 BCADLP CN(C)c1ncc(C[N@H+](C)C2CC[NH2+]CC2)cn1 ZINC000346992119 135988148 /nfs/dbraw/zinc/98/81/48/135988148.db2.gz AFOBPGFIYPJXHQ-UHFFFAOYSA-N 2 2 249.362 0.726 20 0 BCADLP CN(C)c1ncc(C[N@@H+](C)C2CC[NH2+]CC2)cn1 ZINC000346992119 135988149 /nfs/dbraw/zinc/98/81/49/135988149.db2.gz AFOBPGFIYPJXHQ-UHFFFAOYSA-N 2 2 249.362 0.726 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1CCOC[C@H]1C ZINC000347775879 136009462 /nfs/dbraw/zinc/00/94/62/136009462.db2.gz LDFGMVMPKHKWNP-JHJVBQTASA-N 2 2 241.379 0.247 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1CCOC[C@H]1C ZINC000347775879 136009463 /nfs/dbraw/zinc/00/94/63/136009463.db2.gz LDFGMVMPKHKWNP-JHJVBQTASA-N 2 2 241.379 0.247 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)Cn1cccn1 ZINC000347756899 136011484 /nfs/dbraw/zinc/01/14/84/136011484.db2.gz PVTWSZMCVCQBFK-LBPRGKRZSA-N 2 2 240.351 0.175 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)Cn1cccn1 ZINC000347756899 136011485 /nfs/dbraw/zinc/01/14/85/136011485.db2.gz PVTWSZMCVCQBFK-LBPRGKRZSA-N 2 2 240.351 0.175 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(C(N)=O)CCCC1 ZINC000347836869 136014480 /nfs/dbraw/zinc/01/44/80/136014480.db2.gz KUEDFJGSKGTLGH-MNOVXSKESA-N 2 2 239.363 0.572 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(C(N)=O)CCCC1 ZINC000347836869 136014481 /nfs/dbraw/zinc/01/44/81/136014481.db2.gz KUEDFJGSKGTLGH-MNOVXSKESA-N 2 2 239.363 0.572 20 0 BCADLP C[C@@H]([NH3+])C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000335396325 136092432 /nfs/dbraw/zinc/09/24/32/136092432.db2.gz OTMOGFOVLWVFKQ-LLVKDONJSA-N 2 2 239.363 0.811 20 0 BCADLP Cn1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)n1 ZINC000335569778 136108725 /nfs/dbraw/zinc/10/87/25/136108725.db2.gz FQVJEKALNJWQFZ-ZDUSSCGKSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)n1 ZINC000335569778 136108726 /nfs/dbraw/zinc/10/87/26/136108726.db2.gz FQVJEKALNJWQFZ-ZDUSSCGKSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC000335569778 136108727 /nfs/dbraw/zinc/10/87/27/136108727.db2.gz FQVJEKALNJWQFZ-ZDUSSCGKSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)n1 ZINC000335569778 136108728 /nfs/dbraw/zinc/10/87/28/136108728.db2.gz FQVJEKALNJWQFZ-ZDUSSCGKSA-N 2 2 234.347 0.948 20 0 BCADLP CN1CC[C@@H]([N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000335570400 136109152 /nfs/dbraw/zinc/10/91/52/136109152.db2.gz OHCSBUBGNCEUOZ-DGCLKSJQSA-N 2 2 237.347 0.245 20 0 BCADLP CN1CC[C@@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000335570400 136109153 /nfs/dbraw/zinc/10/91/53/136109153.db2.gz OHCSBUBGNCEUOZ-DGCLKSJQSA-N 2 2 237.347 0.245 20 0 BCADLP CN1CC[C@@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1=O ZINC000335570400 136109154 /nfs/dbraw/zinc/10/91/54/136109154.db2.gz OHCSBUBGNCEUOZ-DGCLKSJQSA-N 2 2 237.347 0.245 20 0 BCADLP CN1CC[C@@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000335570400 136109155 /nfs/dbraw/zinc/10/91/55/136109155.db2.gz OHCSBUBGNCEUOZ-DGCLKSJQSA-N 2 2 237.347 0.245 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H](CO)c1cccnc1 ZINC000348677700 136113433 /nfs/dbraw/zinc/11/34/33/136113433.db2.gz GGFVUOBPUQLNGM-KWCYVHTRSA-N 2 2 249.358 0.697 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H](CO)c1cccnc1 ZINC000348677700 136113434 /nfs/dbraw/zinc/11/34/34/136113434.db2.gz GGFVUOBPUQLNGM-KWCYVHTRSA-N 2 2 249.358 0.697 20 0 BCADLP Cn1cc(CC[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cn1 ZINC000367048413 136113607 /nfs/dbraw/zinc/11/36/07/136113607.db2.gz UXIHUWADVCANLM-ZIAGYGMSSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1cc(CC[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cn1 ZINC000367048413 136113608 /nfs/dbraw/zinc/11/36/08/136113608.db2.gz UXIHUWADVCANLM-ZIAGYGMSSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1cc(CC[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cn1 ZINC000367048413 136113609 /nfs/dbraw/zinc/11/36/09/136113609.db2.gz UXIHUWADVCANLM-ZIAGYGMSSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1cc(CC[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cn1 ZINC000367048413 136113610 /nfs/dbraw/zinc/11/36/10/136113610.db2.gz UXIHUWADVCANLM-ZIAGYGMSSA-N 2 2 248.374 0.989 20 0 BCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC000644816747 397968727 /nfs/dbraw/zinc/96/87/27/397968727.db2.gz XLEYTQRXGDOROF-NWDGAFQWSA-N 2 2 248.330 0.436 20 0 BCADLP CS(=O)(=O)CCC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000082594364 397965553 /nfs/dbraw/zinc/96/55/53/397965553.db2.gz BINVEABOFQFKNF-NSHDSACASA-N 2 2 248.392 0.624 20 0 BCADLP CS(=O)(=O)CCC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000082594364 397965556 /nfs/dbraw/zinc/96/55/56/397965556.db2.gz BINVEABOFQFKNF-NSHDSACASA-N 2 2 248.392 0.624 20 0 BCADLP C[N@H+](CCO)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267447013 397948207 /nfs/dbraw/zinc/94/82/07/397948207.db2.gz ZZMDYGPOYDVXRA-UHFFFAOYSA-N 2 2 232.287 0.691 20 0 BCADLP C[N@@H+](CCO)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267447013 397948208 /nfs/dbraw/zinc/94/82/08/397948208.db2.gz ZZMDYGPOYDVXRA-UHFFFAOYSA-N 2 2 232.287 0.691 20 0 BCADLP O=C1OCC[C@H]2CC[N@H+](CCCn3cc[nH+]c3)[C@@H]12 ZINC000364338979 397895516 /nfs/dbraw/zinc/89/55/16/397895516.db2.gz BZDPDYAHAJOMBH-VXGBXAGGSA-N 2 2 249.314 0.911 20 0 BCADLP O=C1OCC[C@H]2CC[N@@H+](CCCn3cc[nH+]c3)[C@@H]12 ZINC000364338979 397895517 /nfs/dbraw/zinc/89/55/17/397895517.db2.gz BZDPDYAHAJOMBH-VXGBXAGGSA-N 2 2 249.314 0.911 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)[C@H](C)O1 ZINC000643538408 397919114 /nfs/dbraw/zinc/91/91/14/397919114.db2.gz JSRDIAKIUHTRSR-ORMBPQIASA-N 2 2 216.300 0.842 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CCCO1 ZINC000643538200 397920336 /nfs/dbraw/zinc/92/03/36/397920336.db2.gz AYAUSTVYSAGLGT-XWLWVQCSSA-N 2 2 216.300 0.844 20 0 BCADLP CC(C)[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000334466431 397926189 /nfs/dbraw/zinc/92/61/89/397926189.db2.gz DFXJHUQULHFDLM-UHFFFAOYSA-N 2 2 208.309 0.936 20 0 BCADLP C[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000637863193 398032219 /nfs/dbraw/zinc/03/22/19/398032219.db2.gz VHVPXHXUPJBPON-SNVBAGLBSA-N 2 2 236.319 0.471 20 0 BCADLP Cc1ccn2cc(CNC(=O)C[NH3+])[nH+]c2c1 ZINC000083909185 398035840 /nfs/dbraw/zinc/03/58/40/398035840.db2.gz CZKJOHHQQFEVJI-UHFFFAOYSA-N 2 2 218.260 0.218 20 0 BCADLP CCO[C@@H]1COCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000362018496 397978384 /nfs/dbraw/zinc/97/83/84/397978384.db2.gz DVTVQTLEWZRPHR-NWDGAFQWSA-N 2 2 239.319 0.667 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414853967 398062077 /nfs/dbraw/zinc/06/20/77/398062077.db2.gz LQFJPZVNTOOSKZ-NWDGAFQWSA-N 3 2 213.369 0.949 20 0 BCADLP CC[C@](C)([NH3+])c1cn(CCn2cc[nH+]c2)nn1 ZINC000384123067 398065591 /nfs/dbraw/zinc/06/55/91/398065591.db2.gz ALCFVBVCHZISLB-NSHDSACASA-N 2 2 234.307 0.759 20 0 BCADLP COC[C@@H]1C[C@@H](O)C[N@@H+]1CCc1c[nH+]cn1C ZINC000649744877 398083296 /nfs/dbraw/zinc/08/32/96/398083296.db2.gz QKOFTKPFTHNLSI-NWDGAFQWSA-N 2 2 239.319 0.044 20 0 BCADLP COC[C@@H]1C[C@@H](O)C[N@H+]1CCc1c[nH+]cn1C ZINC000649744877 398083297 /nfs/dbraw/zinc/08/32/97/398083297.db2.gz QKOFTKPFTHNLSI-NWDGAFQWSA-N 2 2 239.319 0.044 20 0 BCADLP Cc1c[nH]nc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000291578365 398095747 /nfs/dbraw/zinc/09/57/47/398095747.db2.gz OOXGAZNYCPYLPM-PHIMTYICSA-N 2 2 220.320 0.712 20 0 BCADLP Cc1c[nH]nc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000291578365 398095748 /nfs/dbraw/zinc/09/57/48/398095748.db2.gz OOXGAZNYCPYLPM-PHIMTYICSA-N 2 2 220.320 0.712 20 0 BCADLP Cc1c[nH]nc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000291578365 398095754 /nfs/dbraw/zinc/09/57/54/398095754.db2.gz OOXGAZNYCPYLPM-PHIMTYICSA-N 2 2 220.320 0.712 20 0 BCADLP Cc1c[nH]nc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000291578365 398095755 /nfs/dbraw/zinc/09/57/55/398095755.db2.gz OOXGAZNYCPYLPM-PHIMTYICSA-N 2 2 220.320 0.712 20 0 BCADLP CC(C)NC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843184 167047785 /nfs/dbraw/zinc/04/77/85/167047785.db2.gz FYQHMIJXTUMPNC-GFCCVEGCSA-N 2 2 241.379 0.785 20 0 BCADLP CC(C)NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843184 167047790 /nfs/dbraw/zinc/04/77/90/167047790.db2.gz FYQHMIJXTUMPNC-GFCCVEGCSA-N 2 2 241.379 0.785 20 0 BCADLP CC(C)NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843184 167047791 /nfs/dbraw/zinc/04/77/91/167047791.db2.gz FYQHMIJXTUMPNC-GFCCVEGCSA-N 2 2 241.379 0.785 20 0 BCADLP CC(C)NC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843184 167047793 /nfs/dbraw/zinc/04/77/93/167047793.db2.gz FYQHMIJXTUMPNC-GFCCVEGCSA-N 2 2 241.379 0.785 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000336772158 173280699 /nfs/dbraw/zinc/28/06/99/173280699.db2.gz XNWCLRNFWUEPIT-SNVBAGLBSA-N 2 2 213.325 0.196 20 0 BCADLP CC(C)NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000309747723 167061401 /nfs/dbraw/zinc/06/14/01/167061401.db2.gz GASRPVGVFAYVQL-LLVKDONJSA-N 2 2 215.341 0.474 20 0 BCADLP CC(C)[NH2+]CC[NH+]1CCC(CO)CC1 ZINC000042409402 167104682 /nfs/dbraw/zinc/10/46/82/167104682.db2.gz IFMBLEUOVSOUHH-UHFFFAOYSA-N 2 2 200.326 0.689 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)CC1([NH3+])CCC1 ZINC000086853683 487569105 /nfs/dbraw/zinc/56/91/05/487569105.db2.gz GSFOXPDMIASMHD-UHFFFAOYSA-N 2 2 222.292 0.640 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C12CCC[NH+]1CCC2 ZINC000685721800 487575172 /nfs/dbraw/zinc/57/51/72/487575172.db2.gz RPYLWIKHKWWTGX-UHFFFAOYSA-N 2 2 248.330 0.997 20 0 BCADLP CC(C)OCCC[N@H+](CC[NH3+])CCO ZINC000336768041 167213984 /nfs/dbraw/zinc/21/39/84/167213984.db2.gz UGHLKSFUNQVXIR-UHFFFAOYSA-N 2 2 204.314 0.055 20 0 BCADLP CC(C)OCCC[N@@H+](CC[NH3+])CCO ZINC000336768041 167213987 /nfs/dbraw/zinc/21/39/87/167213987.db2.gz UGHLKSFUNQVXIR-UHFFFAOYSA-N 2 2 204.314 0.055 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)CCCC[NH+](C)C ZINC000685882019 487591593 /nfs/dbraw/zinc/59/15/93/487591593.db2.gz KCKFLFLPLYJREV-UHFFFAOYSA-N 2 2 238.335 0.768 20 0 BCADLP O[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667495519 487594233 /nfs/dbraw/zinc/59/42/33/487594233.db2.gz NBSNHIYKYWXAEN-SNVBAGLBSA-N 2 2 207.277 0.396 20 0 BCADLP O[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667495519 487594240 /nfs/dbraw/zinc/59/42/40/487594240.db2.gz NBSNHIYKYWXAEN-SNVBAGLBSA-N 2 2 207.277 0.396 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000249932637 487606341 /nfs/dbraw/zinc/60/63/41/487606341.db2.gz FCCCBRFJQYBPNN-VXGBXAGGSA-N 2 2 241.379 0.914 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000249932637 487606346 /nfs/dbraw/zinc/60/63/46/487606346.db2.gz FCCCBRFJQYBPNN-VXGBXAGGSA-N 2 2 241.379 0.914 20 0 BCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nc(N(C)C)no1 ZINC000662263405 409555003 /nfs/dbraw/zinc/55/50/03/409555003.db2.gz ARNOGLRAMYKGOY-BDAKNGLRSA-N 2 2 239.323 0.305 20 0 BCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nc(N(C)C)no1 ZINC000662263405 409555005 /nfs/dbraw/zinc/55/50/05/409555005.db2.gz ARNOGLRAMYKGOY-BDAKNGLRSA-N 2 2 239.323 0.305 20 0 BCADLP CCOC[C@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662257574 409555248 /nfs/dbraw/zinc/55/52/48/409555248.db2.gz DWEOYXXQJSDJSH-RYUDHWBXSA-N 2 2 228.336 0.333 20 0 BCADLP CCOC[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662257574 409555256 /nfs/dbraw/zinc/55/52/56/409555256.db2.gz DWEOYXXQJSDJSH-RYUDHWBXSA-N 2 2 228.336 0.333 20 0 BCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2nc(N(C)C)no2)C1 ZINC000662265871 409564106 /nfs/dbraw/zinc/56/41/06/409564106.db2.gz JHMZRVOKRBJRFR-IUCAKERBSA-N 2 2 239.323 0.305 20 0 BCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2nc(N(C)C)no2)C1 ZINC000662265871 409564119 /nfs/dbraw/zinc/56/41/19/409564119.db2.gz JHMZRVOKRBJRFR-IUCAKERBSA-N 2 2 239.323 0.305 20 0 BCADLP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662245229 409537698 /nfs/dbraw/zinc/53/76/98/409537698.db2.gz JFOYTLAAOFQPPK-PWSUYJOCSA-N 3 2 227.352 0.034 20 0 BCADLP C[C@H]1CCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653088866 409618827 /nfs/dbraw/zinc/61/88/27/409618827.db2.gz PNYPCLZWFFWNNL-VHSXEESVSA-N 2 2 213.325 0.276 20 0 BCADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@H]1C[NH2+]CCO1)C2 ZINC000662286957 409618997 /nfs/dbraw/zinc/61/89/97/409618997.db2.gz UYJIAKUCZDELFN-XQQFMLRXSA-N 3 2 239.363 0.036 20 0 BCADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H]1C[NH2+]CCO1)C2 ZINC000662286957 409619001 /nfs/dbraw/zinc/61/90/01/409619001.db2.gz UYJIAKUCZDELFN-XQQFMLRXSA-N 3 2 239.363 0.036 20 0 BCADLP [NH3+]CC[N@H+](CCCC1CCC1)C[C@@H](O)CO ZINC000662285534 409619382 /nfs/dbraw/zinc/61/93/82/409619382.db2.gz CTFPBTORWLZGTO-GFCCVEGCSA-N 2 2 230.352 0.181 20 0 BCADLP [NH3+]CC[N@@H+](CCCC1CCC1)C[C@@H](O)CO ZINC000662285534 409619384 /nfs/dbraw/zinc/61/93/84/409619384.db2.gz CTFPBTORWLZGTO-GFCCVEGCSA-N 2 2 230.352 0.181 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H]1CC1(C)C ZINC000653090645 409633224 /nfs/dbraw/zinc/63/32/24/409633224.db2.gz WNHHMILLOJIUOT-NXEZZACHSA-N 2 2 227.352 0.428 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)CC[C@@H]1[NH3+] ZINC000662270761 409572713 /nfs/dbraw/zinc/57/27/13/409572713.db2.gz MWJJVOMOZOFUFA-UTUOFQBUSA-N 3 2 227.352 0.034 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)CC[C@@H]1[NH3+] ZINC000662270761 409572720 /nfs/dbraw/zinc/57/27/20/409572720.db2.gz MWJJVOMOZOFUFA-UTUOFQBUSA-N 3 2 227.352 0.034 20 0 BCADLP C[N@@H+](Cc1cnn(C(C)(C)C)c1)C[C@@H](O)C[NH3+] ZINC000662277288 409591408 /nfs/dbraw/zinc/59/14/08/409591408.db2.gz PERAHCUGILYBHO-NSHDSACASA-N 2 2 240.351 0.390 20 0 BCADLP C[N@H+](Cc1cnn(C(C)(C)C)c1)C[C@@H](O)C[NH3+] ZINC000662277288 409591416 /nfs/dbraw/zinc/59/14/16/409591416.db2.gz PERAHCUGILYBHO-NSHDSACASA-N 2 2 240.351 0.390 20 0 BCADLP C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653080469 409596467 /nfs/dbraw/zinc/59/64/67/409596467.db2.gz IRPPGTKCVVPOMO-VXGBXAGGSA-N 2 2 241.379 0.914 20 0 BCADLP C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653080466 409597025 /nfs/dbraw/zinc/59/70/25/409597025.db2.gz IRPPGTKCVVPOMO-NEPJUHHUSA-N 2 2 241.379 0.914 20 0 BCADLP CCC[C@@H](CC)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653081560 409600916 /nfs/dbraw/zinc/60/09/16/409600916.db2.gz SQXIIVYOIWZSFE-GHMZBOCLSA-N 2 2 229.368 0.960 20 0 BCADLP CCCC(C)(C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653082781 409603785 /nfs/dbraw/zinc/60/37/85/409603785.db2.gz DQRBPGDGFMUACS-JTQLQIEISA-N 2 2 229.368 0.960 20 0 BCADLP CN1CCC[C@@H]([NH+]2CCC3(CC[NH2+]3)CC2)C1=O ZINC000662282266 409607254 /nfs/dbraw/zinc/60/72/54/409607254.db2.gz FJNCMMQLDIVGGB-LLVKDONJSA-N 2 2 237.347 0.435 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC2(CCC2)C1 ZINC000653091149 409653013 /nfs/dbraw/zinc/65/30/13/409653013.db2.gz LUGCXTZVJANELV-NSHDSACASA-N 2 2 239.363 0.668 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC1(C2CC2)CC1 ZINC000653092148 409674786 /nfs/dbraw/zinc/67/47/86/409674786.db2.gz SVULQFGIQFUMOK-JTQLQIEISA-N 2 2 225.336 0.324 20 0 BCADLP C[NH+](C)CC(C)(C)[NH2+]CCCN1CCCC1=O ZINC000556791117 322924453 /nfs/dbraw/zinc/92/44/53/322924453.db2.gz IWGSFSANGOMQAG-UHFFFAOYSA-N 2 2 241.379 0.929 20 0 BCADLP CC[C@H]([NH2+]C)C(=O)Nc1cc[nH+]cc1C ZINC000662529314 409745529 /nfs/dbraw/zinc/74/55/29/409745529.db2.gz VJCMUPBWRLNSNE-VIFPVBQESA-N 2 2 207.277 0.748 20 0 BCADLP C[C@H]([NH3+])[C@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662586360 409772445 /nfs/dbraw/zinc/77/24/45/409772445.db2.gz SQDXHRBHMMFBBZ-YUMQZZPRSA-N 2 2 210.281 0.351 20 0 BCADLP C[C@H]([NH3+])[C@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662586360 409772451 /nfs/dbraw/zinc/77/24/51/409772451.db2.gz SQDXHRBHMMFBBZ-YUMQZZPRSA-N 2 2 210.281 0.351 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000662586381 409772544 /nfs/dbraw/zinc/77/25/44/409772544.db2.gz TWGAVVZGONHHER-JQWIXIFHSA-N 2 2 234.303 0.368 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000662586381 409772550 /nfs/dbraw/zinc/77/25/50/409772550.db2.gz TWGAVVZGONHHER-JQWIXIFHSA-N 2 2 234.303 0.368 20 0 BCADLP CC[C@@H]1CCC[C@@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653100824 409780271 /nfs/dbraw/zinc/78/02/71/409780271.db2.gz ZWCDJXBTQDHETP-UTUOFQBUSA-N 2 2 241.379 0.960 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCSCC1 ZINC000653130403 409847052 /nfs/dbraw/zinc/84/70/52/409847052.db2.gz IKVLMHPBVIVIKA-SNVBAGLBSA-N 2 2 245.392 0.231 20 0 BCADLP C[C@@H]([NH3+])CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000653136278 409855722 /nfs/dbraw/zinc/85/57/22/409855722.db2.gz ITHZVHIBCXKDLE-BDAKNGLRSA-N 2 2 210.281 0.298 20 0 BCADLP C[C@H]([NH3+])CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653136388 409856221 /nfs/dbraw/zinc/85/62/21/409856221.db2.gz OARDMGGIHANJHB-VIFPVBQESA-N 2 2 236.319 0.225 20 0 BCADLP [NH3+]CC(F)(F)CC(=O)NCc1c[nH+]c[nH]1 ZINC000653150500 409875536 /nfs/dbraw/zinc/87/55/36/409875536.db2.gz DAKVOUCLUIRGRS-UHFFFAOYSA-N 2 2 218.207 0.010 20 0 BCADLP [NH3+]CC(F)(F)CC(=O)NCc1c[nH]c[nH+]1 ZINC000653150500 409875546 /nfs/dbraw/zinc/87/55/46/409875546.db2.gz DAKVOUCLUIRGRS-UHFFFAOYSA-N 2 2 218.207 0.010 20 0 BCADLP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H](C)C1 ZINC000662848747 409952554 /nfs/dbraw/zinc/95/25/54/409952554.db2.gz GVBAFTVZQYOEHW-IJLUTSLNSA-N 2 2 241.379 0.912 20 0 BCADLP C[C@@H](CCC1CC1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653156648 409976398 /nfs/dbraw/zinc/97/63/98/409976398.db2.gz HJJGCXQYJPQXRP-JQWIXIFHSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)c1[nH+]ccn1C ZINC000662934235 409980346 /nfs/dbraw/zinc/98/03/46/409980346.db2.gz LVHSZVSWPCJHSJ-JLIMGVALSA-N 2 2 234.303 0.348 20 0 BCADLP C[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662933652 409980771 /nfs/dbraw/zinc/98/07/71/409980771.db2.gz JCYAVCJQAZCJBS-IUCAKERBSA-N 2 2 224.308 0.453 20 0 BCADLP C[C@H](NC(=O)[C@H]1CCC[NH2+]1)c1[nH+]ccn1C ZINC000662934030 409981463 /nfs/dbraw/zinc/98/14/63/409981463.db2.gz LPTQZYAQGIGYKF-DTWKUNHWSA-N 2 2 222.292 0.349 20 0 BCADLP C[C@H](NC(=O)c1ccc(C[NH3+])o1)c1[nH+]ccn1C ZINC000662934777 409982552 /nfs/dbraw/zinc/98/25/52/409982552.db2.gz QROFSWJYOOMPIR-QMMMGPOBSA-N 2 2 248.286 0.963 20 0 BCADLP Clc1cnn(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000312896198 409986728 /nfs/dbraw/zinc/98/67/28/409986728.db2.gz FOCQAGZSUSRGPX-UWVGGRQHSA-N 2 2 240.738 0.688 20 0 BCADLP C[NH2+]C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000662969867 409998261 /nfs/dbraw/zinc/99/82/61/409998261.db2.gz RFTRGBLIINQCKZ-ZJUUUORDSA-N 2 2 224.308 0.558 20 0 BCADLP COc1ncncc1C[NH2+]C1CC[NH+](C)CC1 ZINC000647168562 410053155 /nfs/dbraw/zinc/05/31/55/410053155.db2.gz BADBFOHPQPTKCN-UHFFFAOYSA-N 2 2 236.319 0.669 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000653165740 410131353 /nfs/dbraw/zinc/13/13/53/410131353.db2.gz ABKXPGYJYRYICW-SDDRHHMPSA-N 2 2 239.363 0.570 20 0 BCADLP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655411464 410213884 /nfs/dbraw/zinc/21/38/84/410213884.db2.gz CAKFDKMWWOMBNG-GHMZBOCLSA-N 2 2 248.330 0.314 20 0 BCADLP C[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000655412196 410216667 /nfs/dbraw/zinc/21/66/67/410216667.db2.gz NQYJZGJTHOFPQX-QWRGUYRKSA-N 2 2 248.330 0.266 20 0 BCADLP CC(C)(C[NH3+])NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655414395 410217961 /nfs/dbraw/zinc/21/79/61/410217961.db2.gz NFRNTAIDLIBLLK-VIFPVBQESA-N 2 2 236.319 0.299 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000661091161 410163269 /nfs/dbraw/zinc/16/32/69/410163269.db2.gz WBTOURSZBKULOT-LBPRGKRZSA-N 2 2 238.335 0.297 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000661091161 410163273 /nfs/dbraw/zinc/16/32/73/410163273.db2.gz WBTOURSZBKULOT-LBPRGKRZSA-N 2 2 238.335 0.297 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000661091161 410163279 /nfs/dbraw/zinc/16/32/79/410163279.db2.gz WBTOURSZBKULOT-LBPRGKRZSA-N 2 2 238.335 0.297 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000661091161 410163284 /nfs/dbraw/zinc/16/32/84/410163284.db2.gz WBTOURSZBKULOT-LBPRGKRZSA-N 2 2 238.335 0.297 20 0 BCADLP Cc1[nH]c(C(=O)NCCC2(C[NH3+])CC2)c[nH+]1 ZINC000653222126 410169527 /nfs/dbraw/zinc/16/95/27/410169527.db2.gz SUKIPNCPQOTLBB-UHFFFAOYSA-N 2 2 222.292 0.577 20 0 BCADLP C([N@@H+]1CC[C@]2(CC[NH2+]C2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663495542 410274505 /nfs/dbraw/zinc/27/45/05/410274505.db2.gz YUGZNABHPMWYEJ-AGIUHOORSA-N 3 2 221.348 0.281 20 0 BCADLP C([N@H+]1CC[C@]2(CC[NH2+]C2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663495542 410274513 /nfs/dbraw/zinc/27/45/13/410274513.db2.gz YUGZNABHPMWYEJ-AGIUHOORSA-N 3 2 221.348 0.281 20 0 BCADLP C[C@]1(C[NH2+]CC23CC(C2)C[NH2+]3)CC[NH2+]C1 ZINC000663501303 410278006 /nfs/dbraw/zinc/27/80/06/410278006.db2.gz UZDVWIDVDXBDDH-CXQJBGSLSA-N 3 2 209.337 0.328 20 0 BCADLP CCCn1cc(C[NH2+][C@H](C)C[NH2+]C)cn1 ZINC000663509514 410281308 /nfs/dbraw/zinc/28/13/08/410281308.db2.gz ZATUQFRNOYCHTD-SNVBAGLBSA-N 2 2 210.325 0.991 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655451518 410282028 /nfs/dbraw/zinc/28/20/28/410282028.db2.gz RWHWWYQDAYRIQI-GXFFZTMASA-N 2 2 248.330 0.724 20 0 BCADLP O=C(NCC[NH2+]C1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655416319 410221192 /nfs/dbraw/zinc/22/11/92/410221192.db2.gz PEWMXVPCYZQYFW-SNVBAGLBSA-N 2 2 248.330 0.314 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650745297 410382631 /nfs/dbraw/zinc/38/26/31/410382631.db2.gz DAJBEQIIALVSEO-QWRGUYRKSA-N 3 2 211.353 0.655 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650745297 410382639 /nfs/dbraw/zinc/38/26/39/410382639.db2.gz DAJBEQIIALVSEO-QWRGUYRKSA-N 3 2 211.353 0.655 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650764299 410414426 /nfs/dbraw/zinc/41/44/26/410414426.db2.gz VLDVBSSKJDTIRM-DGCLKSJQSA-N 3 2 225.380 0.916 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650764299 410414429 /nfs/dbraw/zinc/41/44/29/410414429.db2.gz VLDVBSSKJDTIRM-DGCLKSJQSA-N 3 2 225.380 0.916 20 0 BCADLP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000665283414 410762241 /nfs/dbraw/zinc/76/22/41/410762241.db2.gz NHGNUIFFWDIRIG-QJPTWQEYSA-N 3 2 213.369 0.947 20 0 BCADLP CC[C@H]1C[N@H+](Cc2cnnn2C)CC[C@@H]1[NH3+] ZINC000394864857 410828722 /nfs/dbraw/zinc/82/87/22/410828722.db2.gz CGUJGJHWHQJBPU-ONGXEEELSA-N 2 2 223.324 0.374 20 0 BCADLP CC[C@H]1C[N@@H+](Cc2cnnn2C)CC[C@@H]1[NH3+] ZINC000394864857 410828729 /nfs/dbraw/zinc/82/87/29/410828729.db2.gz CGUJGJHWHQJBPU-ONGXEEELSA-N 2 2 223.324 0.374 20 0 BCADLP CC[C@@H]1C[N@H+](Cc2cnnn2C)CC[C@@H]1[NH3+] ZINC000394864852 410829845 /nfs/dbraw/zinc/82/98/45/410829845.db2.gz CGUJGJHWHQJBPU-KOLCDFICSA-N 2 2 223.324 0.374 20 0 BCADLP CC[C@@H]1C[N@@H+](Cc2cnnn2C)CC[C@@H]1[NH3+] ZINC000394864852 410829849 /nfs/dbraw/zinc/82/98/49/410829849.db2.gz CGUJGJHWHQJBPU-KOLCDFICSA-N 2 2 223.324 0.374 20 0 BCADLP CC[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000665299987 410834763 /nfs/dbraw/zinc/83/47/63/410834763.db2.gz VXFRUBRFBUKQQG-DCAQKATOSA-N 2 2 248.392 0.540 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)Cc1cnccn1 ZINC000665297530 410818480 /nfs/dbraw/zinc/81/84/80/410818480.db2.gz HTKCWFAOLWSOOX-UWVGGRQHSA-N 2 2 208.309 0.605 20 0 BCADLP CC(C)N1CC[C@H]([NH2+]Cc2c[nH+]cn2C)C1=O ZINC000114774558 167025345 /nfs/dbraw/zinc/02/53/45/167025345.db2.gz BHRBNMYQLVEAIX-NSHDSACASA-N 2 2 236.319 0.519 20 0 BCADLP CC(C)NC(=O)C[N@H+](C)CCn1cc[nH+]c1 ZINC000163387760 167048132 /nfs/dbraw/zinc/04/81/32/167048132.db2.gz PZQRBOZUBKVHDN-UHFFFAOYSA-N 2 2 224.308 0.340 20 0 BCADLP CC(C)NC(=O)C[N@@H+](C)CCn1cc[nH+]c1 ZINC000163387760 167048135 /nfs/dbraw/zinc/04/81/35/167048135.db2.gz PZQRBOZUBKVHDN-UHFFFAOYSA-N 2 2 224.308 0.340 20 0 BCADLP CC(C)[C@@H](C(=O)NCc1[nH+]ccn1C)[NH+](C)C ZINC000268097181 167345012 /nfs/dbraw/zinc/34/50/12/167345012.db2.gz VWBUYBXKQWUKFK-NSHDSACASA-N 2 2 238.335 0.623 20 0 BCADLP CC(C)[C@@H](C)NC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000036754810 167372794 /nfs/dbraw/zinc/37/27/94/167372794.db2.gz NRVXBGFGJBODOS-SNVBAGLBSA-N 2 2 227.352 0.570 20 0 BCADLP CC(C)[C@@H](C[NH3+])C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000044806108 167396255 /nfs/dbraw/zinc/39/62/55/167396255.db2.gz HAZUVHZVVXXQFA-GHMZBOCLSA-N 2 2 238.335 0.619 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H](CO)CCF ZINC000652021298 411030380 /nfs/dbraw/zinc/03/03/80/411030380.db2.gz VVQWRUVYTDIRSD-JFGNBEQYSA-N 2 2 230.327 0.779 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H](CO)CCF ZINC000652021298 411030386 /nfs/dbraw/zinc/03/03/86/411030386.db2.gz VVQWRUVYTDIRSD-JFGNBEQYSA-N 2 2 230.327 0.779 20 0 BCADLP COc1c(C)[nH+]cnc1N[C@H]1CC[NH2+]C1 ZINC000107206433 411132826 /nfs/dbraw/zinc/13/28/26/411132826.db2.gz XIHFIXCJDVDRIZ-QMMMGPOBSA-N 2 2 208.265 0.567 20 0 BCADLP C[C@@H]([NH3+])CC(=O)NCCCCn1cc[nH+]c1 ZINC000045109224 411144348 /nfs/dbraw/zinc/14/43/48/411144348.db2.gz GLHQFOBTEILHIU-SNVBAGLBSA-N 2 2 224.308 0.517 20 0 BCADLP COC[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000069717972 411153231 /nfs/dbraw/zinc/15/32/31/411153231.db2.gz PMBUJLYGYPKZBC-VIFPVBQESA-N 2 2 226.324 0.611 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@H]1C ZINC000653650438 411156981 /nfs/dbraw/zinc/15/69/81/411156981.db2.gz AKMIJMGEAGZZAL-UTUOFQBUSA-N 2 2 230.352 0.408 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@H]1C ZINC000653650438 411156984 /nfs/dbraw/zinc/15/69/84/411156984.db2.gz AKMIJMGEAGZZAL-UTUOFQBUSA-N 2 2 230.352 0.408 20 0 BCADLP C[N@@H+](CC(=O)N1CCCC1)C[C@H]1CCC[NH2+]C1 ZINC000043493531 411118382 /nfs/dbraw/zinc/11/83/82/411118382.db2.gz ZRUDMMVEXQHUCT-LBPRGKRZSA-N 2 2 239.363 0.540 20 0 BCADLP C[N@H+](CC(=O)N1CCCC1)C[C@H]1CCC[NH2+]C1 ZINC000043493531 411118384 /nfs/dbraw/zinc/11/83/84/411118384.db2.gz ZRUDMMVEXQHUCT-LBPRGKRZSA-N 2 2 239.363 0.540 20 0 BCADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](O)C(F)F ZINC000353137274 411174802 /nfs/dbraw/zinc/17/48/02/411174802.db2.gz BLFGOJAWVRKQTK-JTQLQIEISA-N 2 2 245.273 0.863 20 0 BCADLP Cn1nncc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000309561917 411175378 /nfs/dbraw/zinc/17/53/78/411175378.db2.gz PBQVEVCJOUXCFA-UHFFFAOYSA-N 2 2 209.297 0.128 20 0 BCADLP COc1c(C)[nH+]cnc1NCC[NH+](C)C ZINC000656103809 411179015 /nfs/dbraw/zinc/17/90/15/411179015.db2.gz JXWHJWFJEJHNSZ-UHFFFAOYSA-N 2 2 210.281 0.767 20 0 BCADLP O=C1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)CCCN1 ZINC000111826565 411181613 /nfs/dbraw/zinc/18/16/13/411181613.db2.gz GKSOMIGVORQZFI-MNOVXSKESA-N 2 2 237.347 0.481 20 0 BCADLP O=C1C[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)CCCN1 ZINC000111826565 411181618 /nfs/dbraw/zinc/18/16/18/411181618.db2.gz GKSOMIGVORQZFI-MNOVXSKESA-N 2 2 237.347 0.481 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000652341125 411205865 /nfs/dbraw/zinc/20/58/65/411205865.db2.gz ICSKUAQXHRNRNN-OLZOCXBDSA-N 3 2 241.379 0.032 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000652341125 411205869 /nfs/dbraw/zinc/20/58/69/411205869.db2.gz ICSKUAQXHRNRNN-OLZOCXBDSA-N 3 2 241.379 0.032 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[NH2+][C@H](C)c1ccccn1 ZINC000652341400 411206764 /nfs/dbraw/zinc/20/67/64/411206764.db2.gz MSDKABMGADHGBL-ZYHUDNBSSA-N 2 2 223.320 0.703 20 0 BCADLP C1CC1[NH+]1CCC([NH2+]C2COCCOC2)CC1 ZINC000310086848 411207603 /nfs/dbraw/zinc/20/76/03/411207603.db2.gz OESMCZGYYJHVIZ-UHFFFAOYSA-N 2 2 240.347 0.618 20 0 BCADLP [NH3+]CC[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349251 411210897 /nfs/dbraw/zinc/21/08/97/411210897.db2.gz HVDDOKXVRZOAJX-SDDRHHMPSA-N 3 2 227.352 0.163 20 0 BCADLP [NH3+]CC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349251 411210899 /nfs/dbraw/zinc/21/08/99/411210899.db2.gz HVDDOKXVRZOAJX-SDDRHHMPSA-N 3 2 227.352 0.163 20 0 BCADLP C[C@H]1CCC[N@H+](Cc2nnnn2C)[C@@H]1CC[NH3+] ZINC000652356126 411215233 /nfs/dbraw/zinc/21/52/33/411215233.db2.gz SQDXZPKUOZGQQW-VHSXEESVSA-N 2 2 238.339 0.159 20 0 BCADLP C[C@H]1CCC[N@@H+](Cc2nnnn2C)[C@@H]1CC[NH3+] ZINC000652356126 411215235 /nfs/dbraw/zinc/21/52/35/411215235.db2.gz SQDXZPKUOZGQQW-VHSXEESVSA-N 2 2 238.339 0.159 20 0 BCADLP C[C@H](O)C[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000653902582 411217038 /nfs/dbraw/zinc/21/70/38/411217038.db2.gz WTRNQKRQDRIPAD-JTQLQIEISA-N 2 2 209.293 0.728 20 0 BCADLP C[C@H](O)C[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000653902582 411217039 /nfs/dbraw/zinc/21/70/39/411217039.db2.gz WTRNQKRQDRIPAD-JTQLQIEISA-N 2 2 209.293 0.728 20 0 BCADLP CO[C@](C)(CO)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000655786763 411234212 /nfs/dbraw/zinc/23/42/12/411234212.db2.gz SCMFHZZDTNRULR-WXHSDQCUSA-N 2 2 242.363 0.456 20 0 BCADLP CO[C@](C)(CO)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000655786763 411234215 /nfs/dbraw/zinc/23/42/15/411234215.db2.gz SCMFHZZDTNRULR-WXHSDQCUSA-N 2 2 242.363 0.456 20 0 BCADLP CO[C@](C)(CO)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000655786762 411234335 /nfs/dbraw/zinc/23/43/35/411234335.db2.gz SCMFHZZDTNRULR-UHTWSYAYSA-N 2 2 242.363 0.456 20 0 BCADLP CO[C@](C)(CO)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000655786762 411234337 /nfs/dbraw/zinc/23/43/37/411234337.db2.gz SCMFHZZDTNRULR-UHTWSYAYSA-N 2 2 242.363 0.456 20 0 BCADLP CO[C@](C)(CO)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000655786742 411235153 /nfs/dbraw/zinc/23/51/53/411235153.db2.gz RXXYETIQCKDLSA-MDZLAQPJSA-N 2 2 242.363 0.599 20 0 BCADLP CO[C@](C)(CO)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000655786742 411235155 /nfs/dbraw/zinc/23/51/55/411235155.db2.gz RXXYETIQCKDLSA-MDZLAQPJSA-N 2 2 242.363 0.599 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H](CO)C1CCC1 ZINC000658085515 411236512 /nfs/dbraw/zinc/23/65/12/411236512.db2.gz BDCXKSLYUGGCMZ-USWWRNFRSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H](CO)C1CCC1 ZINC000658085515 411236515 /nfs/dbraw/zinc/23/65/15/411236515.db2.gz BDCXKSLYUGGCMZ-USWWRNFRSA-N 2 2 212.337 0.687 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CC1CCC1 ZINC000310501335 411240091 /nfs/dbraw/zinc/24/00/91/411240091.db2.gz HZLBDNOQQOGAPO-CYBMUJFWSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CC1CCC1 ZINC000310501335 411240094 /nfs/dbraw/zinc/24/00/94/411240094.db2.gz HZLBDNOQQOGAPO-CYBMUJFWSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CC1CCC1 ZINC000310501335 411240096 /nfs/dbraw/zinc/24/00/96/411240096.db2.gz HZLBDNOQQOGAPO-CYBMUJFWSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CC1CCC1 ZINC000310501335 411240100 /nfs/dbraw/zinc/24/01/00/411240100.db2.gz HZLBDNOQQOGAPO-CYBMUJFWSA-N 2 2 244.379 0.657 20 0 BCADLP CO[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000310542879 411240608 /nfs/dbraw/zinc/24/06/08/411240608.db2.gz RLSYKQAPQMGYRI-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP CO[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000310542879 411240613 /nfs/dbraw/zinc/24/06/13/411240613.db2.gz RLSYKQAPQMGYRI-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP CO[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000310542879 411240615 /nfs/dbraw/zinc/24/06/15/411240615.db2.gz RLSYKQAPQMGYRI-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP CO[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000310542879 411240619 /nfs/dbraw/zinc/24/06/19/411240619.db2.gz RLSYKQAPQMGYRI-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP CCOC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000656701766 411326952 /nfs/dbraw/zinc/32/69/52/411326952.db2.gz BTPFOWHQMLEXJH-RYUDHWBXSA-N 2 2 244.379 0.846 20 0 BCADLP CCOC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000656701766 411326956 /nfs/dbraw/zinc/32/69/56/411326956.db2.gz BTPFOWHQMLEXJH-RYUDHWBXSA-N 2 2 244.379 0.846 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287583 411263373 /nfs/dbraw/zinc/26/33/73/411263373.db2.gz GBHDGDYMZWOKKP-MXWKQRLJSA-N 2 2 225.336 0.052 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287583 411263378 /nfs/dbraw/zinc/26/33/78/411263378.db2.gz GBHDGDYMZWOKKP-MXWKQRLJSA-N 2 2 225.336 0.052 20 0 BCADLP C[C@H]([NH3+])Cn1cc(C[NH+]2CCSCC2)nn1 ZINC000656457591 411266297 /nfs/dbraw/zinc/26/62/97/411266297.db2.gz YDELLFXFJPNGSD-VIFPVBQESA-N 2 2 241.364 0.174 20 0 BCADLP CC(C)[C@@H]([NH3+])c1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656458874 411269534 /nfs/dbraw/zinc/26/95/34/411269534.db2.gz JRXZCSWXFNKHGG-GFCCVEGCSA-N 2 2 247.302 0.810 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000070645761 411271479 /nfs/dbraw/zinc/27/14/79/411271479.db2.gz NZELURUUJHFTQY-SECBINFHSA-N 2 2 222.292 0.510 20 0 BCADLP CC(C)C[C@@H]([NH3+])C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070645712 411271741 /nfs/dbraw/zinc/27/17/41/411271741.db2.gz FQEXMYLJGXKDRJ-SECBINFHSA-N 2 2 224.308 0.742 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)CC[NH2+]C1CC1 ZINC000070645746 411271874 /nfs/dbraw/zinc/27/18/74/411271874.db2.gz HJRJDVUZTWIGOM-UHFFFAOYSA-N 2 2 222.292 0.510 20 0 BCADLP CC(C)[NH2+]CCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070645688 411271893 /nfs/dbraw/zinc/27/18/93/411271893.db2.gz MRBUZAYXUJCVCD-UHFFFAOYSA-N 2 2 224.308 0.756 20 0 BCADLP [NH3+]CCCCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000656452723 411275132 /nfs/dbraw/zinc/27/51/32/411275132.db2.gz NSKNVDCJFVXULT-UHFFFAOYSA-N 2 2 234.307 0.652 20 0 BCADLP Cc1c(C[NH2+][C@@H]2C[NH2+]C[C@H](C)C2)cnn1C ZINC000401778185 411327977 /nfs/dbraw/zinc/32/79/77/411327977.db2.gz UOUNTLCCISFBLV-SKDRFNHKSA-N 2 2 222.336 0.816 20 0 BCADLP C[C@H]1C[NH2+]C[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC000401677468 411279806 /nfs/dbraw/zinc/27/98/06/411279806.db2.gz FCKUAFBEIYFVCN-ZJUUUORDSA-N 2 2 208.309 0.508 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723906 411291572 /nfs/dbraw/zinc/29/15/72/411291572.db2.gz YGWBRFZCQXONOO-RWMBFGLXSA-N 2 2 242.363 0.144 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723906 411291573 /nfs/dbraw/zinc/29/15/73/411291573.db2.gz YGWBRFZCQXONOO-RWMBFGLXSA-N 2 2 242.363 0.144 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723906 411291574 /nfs/dbraw/zinc/29/15/74/411291574.db2.gz YGWBRFZCQXONOO-RWMBFGLXSA-N 2 2 242.363 0.144 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723906 411291575 /nfs/dbraw/zinc/29/15/75/411291575.db2.gz YGWBRFZCQXONOO-RWMBFGLXSA-N 2 2 242.363 0.144 20 0 BCADLP CN(CC[NH+]1CCCC1)Cc1[nH]cc[nH+]1 ZINC000162507391 411298713 /nfs/dbraw/zinc/29/87/13/411298713.db2.gz FKWRCEAWTAIZSW-UHFFFAOYSA-N 2 2 208.309 0.937 20 0 BCADLP CCNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000656543088 411298839 /nfs/dbraw/zinc/29/88/39/411298839.db2.gz ACKYTCBOIZQKCW-UHFFFAOYSA-N 2 2 230.356 0.189 20 0 BCADLP CCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000656543088 411298843 /nfs/dbraw/zinc/29/88/43/411298843.db2.gz ACKYTCBOIZQKCW-UHFFFAOYSA-N 2 2 230.356 0.189 20 0 BCADLP CC[C@H]1C[N@H+](Cc2cc[nH]n2)CC[C@@H]1[NH3+] ZINC000309415180 411306911 /nfs/dbraw/zinc/30/69/11/411306911.db2.gz JCMKOPKFEFAWAC-ONGXEEELSA-N 2 2 208.309 0.969 20 0 BCADLP CC[C@H]1C[N@@H+](Cc2cc[nH]n2)CC[C@@H]1[NH3+] ZINC000309415180 411306913 /nfs/dbraw/zinc/30/69/13/411306913.db2.gz JCMKOPKFEFAWAC-ONGXEEELSA-N 2 2 208.309 0.969 20 0 BCADLP CCOCC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000653727194 411252992 /nfs/dbraw/zinc/25/29/92/411252992.db2.gz QPTDTRBXHIVQKB-UHFFFAOYSA-N 2 2 244.379 0.848 20 0 BCADLP c1c([C@H]2COCC[NH2+]2)nnn1-c1cc[nH+]cc1 ZINC000656440983 411258912 /nfs/dbraw/zinc/25/89/12/411258912.db2.gz RJPOWHWUKOVOBX-LLVKDONJSA-N 2 2 231.259 0.323 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C/C=C\CO ZINC000658134361 411259070 /nfs/dbraw/zinc/25/90/70/411259070.db2.gz QGQDWUNEVVBFRM-IRSQKABVSA-N 2 2 210.321 0.607 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C/C=C\CO ZINC000658134361 411259071 /nfs/dbraw/zinc/25/90/71/411259071.db2.gz QGQDWUNEVVBFRM-IRSQKABVSA-N 2 2 210.321 0.607 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C/C=C/CO ZINC000658134360 411259104 /nfs/dbraw/zinc/25/91/04/411259104.db2.gz QGQDWUNEVVBFRM-AKDQNTJRSA-N 2 2 210.321 0.607 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C/C=C/CO ZINC000658134360 411259107 /nfs/dbraw/zinc/25/91/07/411259107.db2.gz QGQDWUNEVVBFRM-AKDQNTJRSA-N 2 2 210.321 0.607 20 0 BCADLP C[NH2+]C[C@H](C)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000659633942 411259590 /nfs/dbraw/zinc/25/95/90/411259590.db2.gz GRXJULRDZHZDIA-VIFPVBQESA-N 2 2 237.307 0.016 20 0 BCADLP CN(C)c1ncc(C[NH2+]CC2([NH3+])CCCC2)cn1 ZINC000656788152 411367791 /nfs/dbraw/zinc/36/77/91/411367791.db2.gz FHECKDQGHQCCJH-UHFFFAOYSA-N 2 2 249.362 0.904 20 0 BCADLP CC1(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)COC1 ZINC000336778696 168047307 /nfs/dbraw/zinc/04/73/07/168047307.db2.gz MBCJBNVRLLTKBO-VIFPVBQESA-N 2 2 221.304 0.893 20 0 BCADLP CC1(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)COC1 ZINC000336778696 168047309 /nfs/dbraw/zinc/04/73/09/168047309.db2.gz MBCJBNVRLLTKBO-VIFPVBQESA-N 2 2 221.304 0.893 20 0 BCADLP COCCC1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000656704022 411340168 /nfs/dbraw/zinc/34/01/68/411340168.db2.gz ZJUDEBYPDHPFMY-CYBMUJFWSA-N 2 2 242.363 0.410 20 0 BCADLP COCCC1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000656704022 411340170 /nfs/dbraw/zinc/34/01/70/411340170.db2.gz ZJUDEBYPDHPFMY-CYBMUJFWSA-N 2 2 242.363 0.410 20 0 BCADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)CC(N)=O)CC1 ZINC000309558565 168112516 /nfs/dbraw/zinc/11/25/16/168112516.db2.gz KHXYMEIQYUCTJW-NSHDSACASA-N 2 2 225.336 0.492 20 0 BCADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)CC(N)=O)CC1 ZINC000309558565 168112517 /nfs/dbraw/zinc/11/25/17/168112517.db2.gz KHXYMEIQYUCTJW-NSHDSACASA-N 2 2 225.336 0.492 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000336724288 168180902 /nfs/dbraw/zinc/18/09/02/168180902.db2.gz BGCJCPFDMJZPCO-NSHDSACASA-N 2 2 227.352 0.572 20 0 BCADLP C[C@H]1CCC[N@H+](Cc2nncn2C)[C@@H]1CC[NH3+] ZINC000404365045 411391758 /nfs/dbraw/zinc/39/17/58/411391758.db2.gz GUEGMLTWSBSLPP-WDEREUQCSA-N 2 2 237.351 0.764 20 0 BCADLP C[C@H]1CCC[N@@H+](Cc2nncn2C)[C@@H]1CC[NH3+] ZINC000404365045 411391762 /nfs/dbraw/zinc/39/17/62/411391762.db2.gz GUEGMLTWSBSLPP-WDEREUQCSA-N 2 2 237.351 0.764 20 0 BCADLP CCC(C)(C)NC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000036300811 168290443 /nfs/dbraw/zinc/29/04/43/168290443.db2.gz PAIKDVNYXOXBKT-UHFFFAOYSA-N 2 2 241.379 0.975 20 0 BCADLP CCC(C)(C)NC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000036300811 168290445 /nfs/dbraw/zinc/29/04/45/168290445.db2.gz PAIKDVNYXOXBKT-UHFFFAOYSA-N 2 2 241.379 0.975 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCOC2)n1C ZINC000657309437 411459623 /nfs/dbraw/zinc/45/96/23/411459623.db2.gz NIDXZLWTZVGVCH-SNVBAGLBSA-N 2 2 209.293 0.855 20 0 BCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1CC[NH2+]C1 ZINC000653045831 411402464 /nfs/dbraw/zinc/40/24/64/411402464.db2.gz OUNGTVYUGQVARX-JTQLQIEISA-N 2 2 248.330 0.240 20 0 BCADLP Nc1ccc(NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)c[nH+]1 ZINC000653048692 411404826 /nfs/dbraw/zinc/40/48/26/411404826.db2.gz SNRSROZKXAVKHY-WDEREUQCSA-N 2 2 246.314 0.963 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1ccccc1 ZINC000653056187 411407323 /nfs/dbraw/zinc/40/73/23/411407323.db2.gz XSIRMGMNRAQKBW-ZDUSSCGKSA-N 2 2 249.358 0.624 20 0 BCADLP CCC[C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653056858 411408570 /nfs/dbraw/zinc/40/85/70/411408570.db2.gz ATMZGAWSMHGCNT-ZJUUUORDSA-N 2 2 215.341 0.570 20 0 BCADLP C[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653056608 411408822 /nfs/dbraw/zinc/40/88/22/411408822.db2.gz PUPLRFHTSUFAMV-QWRGUYRKSA-N 2 2 227.352 0.524 20 0 BCADLP CC(C)N(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000653071742 411412511 /nfs/dbraw/zinc/41/25/11/411412511.db2.gz RSYTXWPJMCBALZ-LLVKDONJSA-N 2 2 227.352 0.665 20 0 BCADLP [NH3+]CC12CC(C1)CN2C(=O)NCCn1cc[nH+]c1 ZINC000659427494 411413448 /nfs/dbraw/zinc/41/34/48/411413448.db2.gz FMYLACHAAQCNLY-UHFFFAOYSA-N 2 2 249.318 0.016 20 0 BCADLP CCC[C@H](C)N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653072857 411413622 /nfs/dbraw/zinc/41/36/22/411413622.db2.gz HXBNLAOQGVTZEC-WDEREUQCSA-N 2 2 229.368 0.912 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]C1CC1 ZINC000659510307 411425144 /nfs/dbraw/zinc/42/51/44/411425144.db2.gz NQVBOXNBNDOHFM-UHFFFAOYSA-N 2 2 237.307 0.303 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]C1CC1 ZINC000659510307 411425147 /nfs/dbraw/zinc/42/51/47/411425147.db2.gz NQVBOXNBNDOHFM-UHFFFAOYSA-N 2 2 237.307 0.303 20 0 BCADLP C[N@@H+]1CCN(C(=O)[C@H]2CC=CCC2)[C@H](C[NH3+])C1 ZINC000122642700 411434152 /nfs/dbraw/zinc/43/41/52/411434152.db2.gz YNUWPRZIOVLLFY-NWDGAFQWSA-N 2 2 237.347 0.444 20 0 BCADLP C[N@H+]1CCN(C(=O)[C@H]2CC=CCC2)[C@H](C[NH3+])C1 ZINC000122642700 411434155 /nfs/dbraw/zinc/43/41/55/411434155.db2.gz YNUWPRZIOVLLFY-NWDGAFQWSA-N 2 2 237.347 0.444 20 0 BCADLP CC[C@H]1C[N@H+](Cc2nccn2C)CC[C@@H]1[NH3+] ZINC000122810110 411436247 /nfs/dbraw/zinc/43/62/47/411436247.db2.gz BYENLLBQTHDVJA-QWRGUYRKSA-N 2 2 222.336 0.979 20 0 BCADLP CC[C@H]1C[N@@H+](Cc2nccn2C)CC[C@@H]1[NH3+] ZINC000122810110 411436249 /nfs/dbraw/zinc/43/62/49/411436249.db2.gz BYENLLBQTHDVJA-QWRGUYRKSA-N 2 2 222.336 0.979 20 0 BCADLP CC[C@H]1CN(Cc2[nH+]ccn2C)CC[C@@H]1[NH3+] ZINC000122810110 411436250 /nfs/dbraw/zinc/43/62/50/411436250.db2.gz BYENLLBQTHDVJA-QWRGUYRKSA-N 2 2 222.336 0.979 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659612535 411441665 /nfs/dbraw/zinc/44/16/65/411441665.db2.gz WTVUCANYOQHEGJ-UHFFFAOYSA-N 2 2 249.318 0.303 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659612535 411441666 /nfs/dbraw/zinc/44/16/66/411441666.db2.gz WTVUCANYOQHEGJ-UHFFFAOYSA-N 2 2 249.318 0.303 20 0 BCADLP C1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CO1 ZINC000655736882 411443605 /nfs/dbraw/zinc/44/36/05/411443605.db2.gz HTYQPGMNUWDZMC-OLZOCXBDSA-N 2 2 240.347 0.618 20 0 BCADLP C[C@@H](NC(=O)N(C)[C@@H](C)C[NH3+])c1[nH+]ccn1C ZINC000659628356 411444532 /nfs/dbraw/zinc/44/45/32/411444532.db2.gz OXAPWEBWFZYHQX-DTWKUNHWSA-N 2 2 239.323 0.470 20 0 BCADLP CCOCCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000653645980 411451990 /nfs/dbraw/zinc/45/19/90/411451990.db2.gz GXPUIGXAHZTOMK-UHFFFAOYSA-N 2 2 238.335 0.958 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC12CCOCC2 ZINC000653644237 411452330 /nfs/dbraw/zinc/45/23/30/411452330.db2.gz YCDYLVGFSCFICU-GFCCVEGCSA-N 2 2 242.363 0.554 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC12CCOCC2 ZINC000653644237 411452332 /nfs/dbraw/zinc/45/23/32/411452332.db2.gz YCDYLVGFSCFICU-GFCCVEGCSA-N 2 2 242.363 0.554 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC12CCOCC2 ZINC000653644237 411452334 /nfs/dbraw/zinc/45/23/34/411452334.db2.gz YCDYLVGFSCFICU-GFCCVEGCSA-N 2 2 242.363 0.554 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC12CCOCC2 ZINC000653644237 411452335 /nfs/dbraw/zinc/45/23/35/411452335.db2.gz YCDYLVGFSCFICU-GFCCVEGCSA-N 2 2 242.363 0.554 20 0 BCADLP Cc1ncccc1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313356158 411452720 /nfs/dbraw/zinc/45/27/20/411452720.db2.gz ROTMZQHSYGDKSV-CYBMUJFWSA-N 2 2 235.331 0.940 20 0 BCADLP Cc1ncccc1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313356158 411452724 /nfs/dbraw/zinc/45/27/24/411452724.db2.gz ROTMZQHSYGDKSV-CYBMUJFWSA-N 2 2 235.331 0.940 20 0 BCADLP C[C@]1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCC(=O)N1 ZINC000657489303 411532914 /nfs/dbraw/zinc/53/29/14/411532914.db2.gz YREBWRXKHZTLRR-CYBMUJFWSA-N 2 2 248.330 0.588 20 0 BCADLP CC1(C[NH2+]Cc2c[nH+]c3n2CCC3)COC1 ZINC000657359298 411477487 /nfs/dbraw/zinc/47/74/87/411477487.db2.gz SNVPORPAKPITKE-UHFFFAOYSA-N 2 2 221.304 0.955 20 0 BCADLP O=C(NCc1c[nH+]c[nH]1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407307638 411479055 /nfs/dbraw/zinc/47/90/55/411479055.db2.gz PEFMPCPMQRUXAN-MNOVXSKESA-N 2 2 234.303 0.557 20 0 BCADLP O=C(NCc1c[nH]c[nH+]1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407307638 411479059 /nfs/dbraw/zinc/47/90/59/411479059.db2.gz PEFMPCPMQRUXAN-MNOVXSKESA-N 2 2 234.303 0.557 20 0 BCADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)CO1 ZINC000657357405 411479114 /nfs/dbraw/zinc/47/91/14/411479114.db2.gz NRFNKXFOQMEPNF-FRRDWIJNSA-N 2 2 241.379 0.389 20 0 BCADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)CO1 ZINC000657357405 411479117 /nfs/dbraw/zinc/47/91/17/411479117.db2.gz NRFNKXFOQMEPNF-FRRDWIJNSA-N 2 2 241.379 0.389 20 0 BCADLP C[C@@H](CCO)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657369159 411483602 /nfs/dbraw/zinc/48/36/02/411483602.db2.gz XZRAXRRWSXZAQR-VIFPVBQESA-N 2 2 209.293 0.690 20 0 BCADLP OCC1(C[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657382423 411487845 /nfs/dbraw/zinc/48/78/45/411487845.db2.gz DEUQDBWYNUHHTG-UHFFFAOYSA-N 2 2 221.304 0.691 20 0 BCADLP CC(C)(CO)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657410674 411498829 /nfs/dbraw/zinc/49/88/29/411498829.db2.gz DYSDELSWAMTRSM-UHFFFAOYSA-N 2 2 223.320 0.937 20 0 BCADLP c1cn(CCC[NH2+]Cc2c[nH+]c3n2CCC3)nn1 ZINC000657433646 411505619 /nfs/dbraw/zinc/50/56/19/411505619.db2.gz XUHRQDVDZPWKLC-UHFFFAOYSA-N 2 2 246.318 0.601 20 0 BCADLP OC[C@@H](CC(F)F)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657449444 411511910 /nfs/dbraw/zinc/51/19/10/411511910.db2.gz XZSZDZITIYPBHZ-MRVPVSSYSA-N 2 2 245.273 0.935 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657485304 411529829 /nfs/dbraw/zinc/52/98/29/411529829.db2.gz ZAVOGOLVXVHSFP-VIFPVBQESA-N 2 2 236.319 0.444 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)N(C)C)C1 ZINC000328384676 170022220 /nfs/dbraw/zinc/02/22/20/170022220.db2.gz WGKZQVRFKKPLBA-QWRGUYRKSA-N 2 2 227.352 0.537 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)N(C)C)C1 ZINC000328384676 170022221 /nfs/dbraw/zinc/02/22/21/170022221.db2.gz WGKZQVRFKKPLBA-QWRGUYRKSA-N 2 2 227.352 0.537 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)N(C)C)C1 ZINC000328384675 170022777 /nfs/dbraw/zinc/02/27/77/170022777.db2.gz WGKZQVRFKKPLBA-MNOVXSKESA-N 2 2 227.352 0.537 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)N(C)C)C1 ZINC000328384675 170022779 /nfs/dbraw/zinc/02/27/79/170022779.db2.gz WGKZQVRFKKPLBA-MNOVXSKESA-N 2 2 227.352 0.537 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2cn[nH]c2)C1 ZINC000309491389 170029239 /nfs/dbraw/zinc/02/92/39/170029239.db2.gz XGQHLLBECJIRRX-PWSUYJOCSA-N 2 2 222.336 0.882 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2cn[nH]c2)C1 ZINC000309491389 170029241 /nfs/dbraw/zinc/02/92/41/170029241.db2.gz XGQHLLBECJIRRX-PWSUYJOCSA-N 2 2 222.336 0.882 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2cnccn2)C1 ZINC000341271718 170029270 /nfs/dbraw/zinc/02/92/70/170029270.db2.gz VUMIBYOPAXSREU-YPMHNXCESA-N 2 2 234.347 0.949 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2cnccn2)C1 ZINC000341271718 170029271 /nfs/dbraw/zinc/02/92/71/170029271.db2.gz VUMIBYOPAXSREU-YPMHNXCESA-N 2 2 234.347 0.949 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCC(=O)N(C)C)C1 ZINC000358220676 170030412 /nfs/dbraw/zinc/03/04/12/170030412.db2.gz KOONHHOHDRFZAN-NEPJUHHUSA-N 2 2 241.379 0.785 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCC(=O)N(C)C)C1 ZINC000358220676 170030414 /nfs/dbraw/zinc/03/04/14/170030414.db2.gz KOONHHOHDRFZAN-NEPJUHHUSA-N 2 2 241.379 0.785 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC(C)(C)C(N)=O)C1 ZINC000309956138 170030632 /nfs/dbraw/zinc/03/06/32/170030632.db2.gz IKLAPQQHZOZWKM-ZJUUUORDSA-N 2 2 227.352 0.428 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC(C)(C)C(N)=O)C1 ZINC000309956138 170030633 /nfs/dbraw/zinc/03/06/33/170030633.db2.gz IKLAPQQHZOZWKM-ZJUUUORDSA-N 2 2 227.352 0.428 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCOCCO)C1 ZINC000336776840 170031364 /nfs/dbraw/zinc/03/13/64/170031364.db2.gz GUPOQKGGEBZRLC-VXGBXAGGSA-N 2 2 230.352 0.315 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCOCCO)C1 ZINC000336776840 170031365 /nfs/dbraw/zinc/03/13/65/170031365.db2.gz GUPOQKGGEBZRLC-VXGBXAGGSA-N 2 2 230.352 0.315 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H](C)CCO)[C@@H](C)C1 ZINC000309042703 170034859 /nfs/dbraw/zinc/03/48/59/170034859.db2.gz MDQSBYCBLSNUOP-SRVKXCTJSA-N 2 2 214.353 0.935 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CCN2CCC2)[C@@H](C)C1 ZINC000309026444 170035116 /nfs/dbraw/zinc/03/51/16/170035116.db2.gz AVSASNDOYQXZNG-RYUDHWBXSA-N 2 2 211.353 0.622 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CCc2ccn(C)n2)[C@@H](C)C1 ZINC000354680540 170035368 /nfs/dbraw/zinc/03/53/68/170035368.db2.gz SINRFOQUZKXQPZ-AAEUAGOBSA-N 2 2 236.363 0.892 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+][C@H](CO)C(C)C)[C@@H](C)C1 ZINC000336754484 170036668 /nfs/dbraw/zinc/03/66/68/170036668.db2.gz HKUZTDARPHTVNB-SDDRHHMPSA-N 2 2 214.353 0.933 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+][C@H](CO)C(C)C)[C@@H](C)C1 ZINC000336754484 170036669 /nfs/dbraw/zinc/03/66/69/170036669.db2.gz HKUZTDARPHTVNB-SDDRHHMPSA-N 2 2 214.353 0.933 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCNC(=O)C(C)C)C1 ZINC000358141497 170038181 /nfs/dbraw/zinc/03/81/81/170038181.db2.gz YSHNRMHOUPXFSV-NWDGAFQWSA-N 2 2 241.379 0.688 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCNC(=O)C(C)C)C1 ZINC000358141497 170038183 /nfs/dbraw/zinc/03/81/83/170038183.db2.gz YSHNRMHOUPXFSV-NWDGAFQWSA-N 2 2 241.379 0.688 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](C)CCO)C1 ZINC000309042701 170038705 /nfs/dbraw/zinc/03/87/05/170038705.db2.gz MDQSBYCBLSNUOP-GRYCIOLGSA-N 2 2 214.353 0.935 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](C)CCO)C1 ZINC000309042701 170038704 /nfs/dbraw/zinc/03/87/04/170038704.db2.gz MDQSBYCBLSNUOP-GRYCIOLGSA-N 2 2 214.353 0.935 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2COCCO2)C1 ZINC000309921536 170038890 /nfs/dbraw/zinc/03/88/90/170038890.db2.gz SJICLQWEWGJNGZ-SDDRHHMPSA-N 2 2 228.336 0.332 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2COCCO2)C1 ZINC000309921536 170038892 /nfs/dbraw/zinc/03/88/92/170038892.db2.gz SJICLQWEWGJNGZ-SDDRHHMPSA-N 2 2 228.336 0.332 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCc2cn[nH]c2)C1 ZINC000309491387 170039016 /nfs/dbraw/zinc/03/90/16/170039016.db2.gz XGQHLLBECJIRRX-CMPLNLGQSA-N 2 2 222.336 0.882 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCc2cn[nH]c2)C1 ZINC000309491387 170039017 /nfs/dbraw/zinc/03/90/17/170039017.db2.gz XGQHLLBECJIRRX-CMPLNLGQSA-N 2 2 222.336 0.882 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCc3ncnn3C2)C1 ZINC000358107782 170039687 /nfs/dbraw/zinc/03/96/87/170039687.db2.gz HVEALCUGBRTFAY-SDDRHHMPSA-N 2 2 249.362 0.523 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCc3ncnn3C2)C1 ZINC000358107782 170039688 /nfs/dbraw/zinc/03/96/88/170039688.db2.gz HVEALCUGBRTFAY-SDDRHHMPSA-N 2 2 249.362 0.523 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC(=O)N(C)C2)C1 ZINC000336777322 170040077 /nfs/dbraw/zinc/04/00/77/170040077.db2.gz IDHNXAFMTCVCFG-GARJFASQSA-N 2 2 225.336 0.147 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC(=O)N(C)C2)C1 ZINC000336777322 170040078 /nfs/dbraw/zinc/04/00/78/170040078.db2.gz IDHNXAFMTCVCFG-GARJFASQSA-N 2 2 225.336 0.147 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](CCOC)COC)C1 ZINC000353638656 170040211 /nfs/dbraw/zinc/04/02/11/170040211.db2.gz BPDKBCPTHLBRPM-YNEHKIRRSA-N 2 2 244.379 0.968 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](CCOC)COC)C1 ZINC000353638656 170040212 /nfs/dbraw/zinc/04/02/12/170040212.db2.gz BPDKBCPTHLBRPM-YNEHKIRRSA-N 2 2 244.379 0.968 20 0 BCADLP CCNC(=O)CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000181105839 170049377 /nfs/dbraw/zinc/04/93/77/170049377.db2.gz UNRWNHAISSIZNF-UHFFFAOYSA-N 2 2 238.335 0.731 20 0 BCADLP CCNC(=O)CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181105839 170049379 /nfs/dbraw/zinc/04/93/79/170049379.db2.gz UNRWNHAISSIZNF-UHFFFAOYSA-N 2 2 238.335 0.731 20 0 BCADLP CCNC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747140 170054198 /nfs/dbraw/zinc/05/41/98/170054198.db2.gz JTHFUAKENIAXGS-ZACCUICWSA-N 2 2 225.336 0.337 20 0 BCADLP CCNC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747140 170054199 /nfs/dbraw/zinc/05/41/99/170054199.db2.gz JTHFUAKENIAXGS-ZACCUICWSA-N 2 2 225.336 0.337 20 0 BCADLP CCNC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000362179279 170054836 /nfs/dbraw/zinc/05/48/36/170054836.db2.gz FPGOUCAXIMGMLG-RYUDHWBXSA-N 2 2 241.379 0.927 20 0 BCADLP CCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000362179279 170054838 /nfs/dbraw/zinc/05/48/38/170054838.db2.gz FPGOUCAXIMGMLG-RYUDHWBXSA-N 2 2 241.379 0.927 20 0 BCADLP CCNC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000362179279 170054840 /nfs/dbraw/zinc/05/48/40/170054840.db2.gz FPGOUCAXIMGMLG-RYUDHWBXSA-N 2 2 241.379 0.927 20 0 BCADLP CCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000362179279 170054842 /nfs/dbraw/zinc/05/48/42/170054842.db2.gz FPGOUCAXIMGMLG-RYUDHWBXSA-N 2 2 241.379 0.927 20 0 BCADLP CC[C@@H](O)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657495841 411535677 /nfs/dbraw/zinc/53/56/77/411535677.db2.gz YPJBJVMPDYEIEC-SNVBAGLBSA-N 2 2 209.293 0.690 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)n1C ZINC000657499663 411536634 /nfs/dbraw/zinc/53/66/34/411536634.db2.gz AUPXFTUXYKKZAJ-DTORHVGOSA-N 2 2 222.292 0.082 20 0 BCADLP CC[NH2+][C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC000358942163 170139042 /nfs/dbraw/zinc/13/90/42/170139042.db2.gz MRFAEGNVNMFFFA-JTQLQIEISA-N 2 2 224.308 0.387 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000660142775 411544716 /nfs/dbraw/zinc/54/47/16/411544716.db2.gz JRDLFKSPGKGVFE-LLVKDONJSA-N 2 2 238.335 0.297 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000660142775 411544718 /nfs/dbraw/zinc/54/47/18/411544718.db2.gz JRDLFKSPGKGVFE-LLVKDONJSA-N 2 2 238.335 0.297 20 0 BCADLP COC[C@H](CC[NH2+]Cc1c[nH+]c(C)n1C)OC ZINC000657555520 411549493 /nfs/dbraw/zinc/54/94/93/411549493.db2.gz VQPUEQXEVUFKCZ-LBPRGKRZSA-N 2 2 241.335 0.870 20 0 BCADLP CCOC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250465088 170218488 /nfs/dbraw/zinc/21/84/88/170218488.db2.gz DHWSNMYBIPJSJU-VHSXEESVSA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250465088 170218490 /nfs/dbraw/zinc/21/84/90/170218490.db2.gz DHWSNMYBIPJSJU-VHSXEESVSA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250465086 170220123 /nfs/dbraw/zinc/22/01/23/170220123.db2.gz DHWSNMYBIPJSJU-UWVGGRQHSA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250465086 170220124 /nfs/dbraw/zinc/22/01/24/170220124.db2.gz DHWSNMYBIPJSJU-UWVGGRQHSA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000250480347 170221655 /nfs/dbraw/zinc/22/16/55/170221655.db2.gz VGPZJDHGKXOJJV-RKDXNWHRSA-N 2 2 200.282 0.219 20 0 BCADLP CCOC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000250480347 170221656 /nfs/dbraw/zinc/22/16/56/170221656.db2.gz VGPZJDHGKXOJJV-RKDXNWHRSA-N 2 2 200.282 0.219 20 0 BCADLP CCOC(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229088466 170221687 /nfs/dbraw/zinc/22/16/87/170221687.db2.gz RNLUBVNQUVMYIH-UWVGGRQHSA-N 2 2 214.309 0.466 20 0 BCADLP C[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)C1(CO)CC1 ZINC000657601728 411558672 /nfs/dbraw/zinc/55/86/72/411558672.db2.gz CQBBTIVKQQJEQT-MXWKQRLJSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C1(CO)CC1 ZINC000657601728 411558673 /nfs/dbraw/zinc/55/86/73/411558673.db2.gz CQBBTIVKQQJEQT-MXWKQRLJSA-N 2 2 212.337 0.687 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000228079801 170267411 /nfs/dbraw/zinc/26/74/11/170267411.db2.gz DRMIVXCDQFPZAR-LPEHRKFASA-N 2 2 214.309 0.607 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000228079801 170267412 /nfs/dbraw/zinc/26/74/12/170267412.db2.gz DRMIVXCDQFPZAR-LPEHRKFASA-N 2 2 214.309 0.607 20 0 BCADLP CCOC(=O)[C@H](CC)[NH+]1CCC([NH3+])CC1 ZINC000082759316 170272151 /nfs/dbraw/zinc/27/21/51/170272151.db2.gz NBANMKBHLVHCOB-JTQLQIEISA-N 2 2 214.309 0.751 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000657619663 411564865 /nfs/dbraw/zinc/56/48/65/411564865.db2.gz YIIYMUMRVKRHEU-KXUCPTDWSA-N 2 2 234.290 0.950 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000657619663 411564867 /nfs/dbraw/zinc/56/48/67/411564867.db2.gz YIIYMUMRVKRHEU-KXUCPTDWSA-N 2 2 234.290 0.950 20 0 BCADLP CCOCCC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357704201 170370591 /nfs/dbraw/zinc/37/05/91/170370591.db2.gz MFZHBCFLYOLIAY-UHFFFAOYSA-N 2 2 244.379 0.802 20 0 BCADLP CCOCCC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357704201 170370593 /nfs/dbraw/zinc/37/05/93/170370593.db2.gz MFZHBCFLYOLIAY-UHFFFAOYSA-N 2 2 244.379 0.802 20 0 BCADLP OCCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660469269 411590431 /nfs/dbraw/zinc/59/04/31/411590431.db2.gz PLPISRAJKKGGAU-CYBMUJFWSA-N 2 2 242.363 0.556 20 0 BCADLP OCCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660469269 411590432 /nfs/dbraw/zinc/59/04/32/411590432.db2.gz PLPISRAJKKGGAU-CYBMUJFWSA-N 2 2 242.363 0.556 20 0 BCADLP Cc1cnn(CC[N@@H+]2CCn3c[nH+]cc3C2)c1 ZINC000660577591 411603345 /nfs/dbraw/zinc/60/33/45/411603345.db2.gz IDPQVZJAJLZRQE-UHFFFAOYSA-N 2 2 231.303 0.904 20 0 BCADLP Cc1cnn(CC[N@H+]2CCn3c[nH+]cc3C2)c1 ZINC000660577591 411603346 /nfs/dbraw/zinc/60/33/46/411603346.db2.gz IDPQVZJAJLZRQE-UHFFFAOYSA-N 2 2 231.303 0.904 20 0 BCADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cn1cncn1 ZINC000657821038 411607682 /nfs/dbraw/zinc/60/76/82/411607682.db2.gz PLOGAZUPXAXGGK-RYUDHWBXSA-N 2 2 237.351 0.741 20 0 BCADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cn1cncn1 ZINC000657821038 411607683 /nfs/dbraw/zinc/60/76/83/411607683.db2.gz PLOGAZUPXAXGGK-RYUDHWBXSA-N 2 2 237.351 0.741 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000657836250 411609739 /nfs/dbraw/zinc/60/97/39/411609739.db2.gz ZTWJYUXWVCQFRC-WDEREUQCSA-N 2 2 234.307 0.541 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000657843765 411610327 /nfs/dbraw/zinc/61/03/27/411610327.db2.gz HHPAJSLUUYNDNM-GHMZBOCLSA-N 2 2 223.324 0.350 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000657843765 411610329 /nfs/dbraw/zinc/61/03/29/411610329.db2.gz HHPAJSLUUYNDNM-GHMZBOCLSA-N 2 2 223.324 0.350 20 0 BCADLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657874828 411614794 /nfs/dbraw/zinc/61/47/94/411614794.db2.gz BGICNJPKFIFGBZ-QWRGUYRKSA-N 2 2 228.336 0.210 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660657733 411615228 /nfs/dbraw/zinc/61/52/28/411615228.db2.gz ZUDVJPVNWMYGHF-ZYHUDNBSSA-N 2 2 225.336 0.278 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660657733 411615229 /nfs/dbraw/zinc/61/52/29/411615229.db2.gz ZUDVJPVNWMYGHF-ZYHUDNBSSA-N 2 2 225.336 0.278 20 0 BCADLP C[C@H](C(N)=O)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660657733 411615231 /nfs/dbraw/zinc/61/52/31/411615231.db2.gz ZUDVJPVNWMYGHF-ZYHUDNBSSA-N 2 2 225.336 0.278 20 0 BCADLP C[C@H](C(N)=O)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660657733 411615232 /nfs/dbraw/zinc/61/52/32/411615232.db2.gz ZUDVJPVNWMYGHF-ZYHUDNBSSA-N 2 2 225.336 0.278 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)CN(C)Cc1c[nH]c[nH+]1 ZINC000661090448 411703303 /nfs/dbraw/zinc/70/33/03/411703303.db2.gz PQZPFJYIHCVIFH-GFCCVEGCSA-N 2 2 240.351 0.543 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)CN(C)Cc1c[nH]c[nH+]1 ZINC000661090448 411703306 /nfs/dbraw/zinc/70/33/06/411703306.db2.gz PQZPFJYIHCVIFH-GFCCVEGCSA-N 2 2 240.351 0.543 20 0 BCADLP Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000086727407 487536409 /nfs/dbraw/zinc/53/64/09/487536409.db2.gz OGXOQEVNORAPSW-GXSJLCMTSA-N 2 2 220.320 0.749 20 0 BCADLP CCOCCC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000133341509 411712359 /nfs/dbraw/zinc/71/23/59/411712359.db2.gz VBOPOURMUHDCMR-GHMZBOCLSA-N 2 2 216.325 0.461 20 0 BCADLP CCOCCC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000133341509 411712360 /nfs/dbraw/zinc/71/23/60/411712360.db2.gz VBOPOURMUHDCMR-GHMZBOCLSA-N 2 2 216.325 0.461 20 0 BCADLP COC[C@](C)([NH3+])CNc1nc(C)[nH+]cc1C ZINC000568244029 411649151 /nfs/dbraw/zinc/64/91/51/411649151.db2.gz XULQTAIWQUDUTJ-LLVKDONJSA-N 2 2 224.308 0.869 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCCC[NH+](C)C ZINC000663409955 411650581 /nfs/dbraw/zinc/65/05/81/411650581.db2.gz VUWUONNXOMAPJK-UHFFFAOYSA-N 2 2 239.323 0.503 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCCC[NH+](C)C ZINC000663409955 411650585 /nfs/dbraw/zinc/65/05/85/411650585.db2.gz VUWUONNXOMAPJK-UHFFFAOYSA-N 2 2 239.323 0.503 20 0 BCADLP Cc1cc(N[C@H]2CC[NH2+]C2)nc(C2CC2)[nH+]1 ZINC000420147486 411657061 /nfs/dbraw/zinc/65/70/61/411657061.db2.gz CWKOIYNAHVVQHE-JTQLQIEISA-N 2 2 218.304 1.436 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)CC[C@H]1[NH3+] ZINC000663494590 411674998 /nfs/dbraw/zinc/67/49/98/411674998.db2.gz JPUMSZQRQQUTKL-LPWJVIDDSA-N 3 2 223.364 0.655 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)CC[C@H]1[NH3+] ZINC000663494590 411675004 /nfs/dbraw/zinc/67/50/04/411675004.db2.gz JPUMSZQRQQUTKL-LPWJVIDDSA-N 3 2 223.364 0.655 20 0 BCADLP COc1c(N)[nH+]cnc1NC[C@@H](C)C[NH+](C)C ZINC000383882758 411679406 /nfs/dbraw/zinc/67/94/06/411679406.db2.gz JYMMHUPGACAQKA-MRVPVSSYSA-N 2 2 239.323 0.677 20 0 BCADLP COc1c(N)nc[nH+]c1NC[C@@H](C)C[NH+](C)C ZINC000383882758 411679412 /nfs/dbraw/zinc/67/94/12/411679412.db2.gz JYMMHUPGACAQKA-MRVPVSSYSA-N 2 2 239.323 0.677 20 0 BCADLP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663499981 411683438 /nfs/dbraw/zinc/68/34/38/411683438.db2.gz HOGIKCJQJLHLNH-QCXCNERSSA-N 3 2 223.364 0.859 20 0 BCADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000663501297 411685158 /nfs/dbraw/zinc/68/51/58/411685158.db2.gz UYFCWMNPXDBBNT-CQLXCSJHSA-N 3 2 223.364 0.716 20 0 BCADLP Nc1ncc(C[NH2+]CC23CC(C2)C[NH2+]3)s1 ZINC000663501280 411685631 /nfs/dbraw/zinc/68/56/31/411685631.db2.gz UNIYSJZIEWHEQA-UHFFFAOYSA-N 2 2 224.333 0.567 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000663507947 411690664 /nfs/dbraw/zinc/69/06/64/411690664.db2.gz DOCKSHGIOSFJQV-VIFPVBQESA-N 2 2 221.304 0.483 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000663508409 411690730 /nfs/dbraw/zinc/69/07/30/411690730.db2.gz PTEYPFQSJIHSIT-SECBINFHSA-N 2 2 221.304 0.483 20 0 BCADLP OCc1ccc(NCC2CC[NH2+]CC2)[nH+]c1 ZINC000415107468 411693165 /nfs/dbraw/zinc/69/31/65/411693165.db2.gz OXCAELLTEDOFBH-UHFFFAOYSA-N 2 2 221.304 0.985 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)CN(C)Cc1c[nH+]c[nH]1 ZINC000661090448 411703296 /nfs/dbraw/zinc/70/32/96/411703296.db2.gz PQZPFJYIHCVIFH-GFCCVEGCSA-N 2 2 240.351 0.543 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)CN(C)Cc1c[nH+]c[nH]1 ZINC000661090448 411703300 /nfs/dbraw/zinc/70/33/00/411703300.db2.gz PQZPFJYIHCVIFH-GFCCVEGCSA-N 2 2 240.351 0.543 20 0 BCADLP CCc1cc(NC[C@H]2CSCC[NH2+]2)nc[nH+]1 ZINC000641687198 411769966 /nfs/dbraw/zinc/76/99/66/411769966.db2.gz JVOGDJZRIHJZLR-JTQLQIEISA-N 2 2 238.360 1.156 20 0 BCADLP Cc1nc2[nH]ccc2c(NCCn2cc[nH+]c2)[nH+]1 ZINC000433768187 411777825 /nfs/dbraw/zinc/77/78/25/411777825.db2.gz IBYFZRNHRJJLJR-UHFFFAOYSA-N 2 2 242.286 1.575 20 0 BCADLP Cc1nc(NC[C@H](C2CC2)[NH+](C)C)cc[nH+]1 ZINC000336776815 411784768 /nfs/dbraw/zinc/78/47/68/411784768.db2.gz GSSFNDZSMXWZTJ-LLVKDONJSA-N 2 2 220.320 1.537 20 0 BCADLP Cn1ncc2c1nc[nH+]c2N1CC(C[NH+](C)C)C1 ZINC000663953259 411788543 /nfs/dbraw/zinc/78/85/43/411788543.db2.gz ZDQNLVJTNTXQQC-UHFFFAOYSA-N 2 2 246.318 0.361 20 0 BCADLP CC[NH+](CC)[C@H](C)CNc1nc(C)[nH+]c(N)n1 ZINC000631060421 411854005 /nfs/dbraw/zinc/85/40/05/411854005.db2.gz ZDGMPZYVTXJOIB-MRVPVSSYSA-N 2 2 238.339 0.326 20 0 BCADLP C[NH2+]C1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000647495630 411901055 /nfs/dbraw/zinc/90/10/55/411901055.db2.gz SUYRSUVEKBUNBY-UHFFFAOYSA-N 2 2 220.320 0.848 20 0 BCADLP C[C@H]([NH3+])[C@H]1CN(Cc2cc[nH+]c(N)c2)CCO1 ZINC000647865764 411919554 /nfs/dbraw/zinc/91/95/54/411919554.db2.gz SABLKVKHZWTGOU-GXSJLCMTSA-N 2 2 236.319 0.212 20 0 BCADLP Cc1nc(N(C)CC2C[NH+](C)C2)cc[nH+]1 ZINC000664328750 411922749 /nfs/dbraw/zinc/92/27/49/411922749.db2.gz CSRAKXCOILPNOH-UHFFFAOYSA-N 2 2 206.293 0.783 20 0 BCADLP CN(C)c1nc(N(C)CC2C[NH+](C)C2)cc[nH+]1 ZINC000664330282 411923016 /nfs/dbraw/zinc/92/30/16/411923016.db2.gz ISCUVSITOLVIHB-UHFFFAOYSA-N 2 2 235.335 0.540 20 0 BCADLP CC(C)[C@H](C[NH3+])C(=O)Nc1ccc(N)[nH+]c1 ZINC000433166022 411877372 /nfs/dbraw/zinc/87/73/72/411877372.db2.gz DSCMHLPLXJDPQY-VIFPVBQESA-N 2 2 222.292 0.833 20 0 BCADLP CC[C@@H](Cn1cncn1)[NH2+][C@@H](C)C[NH+](C)C ZINC000336751118 170858372 /nfs/dbraw/zinc/85/83/72/170858372.db2.gz ZYLDQRLQWMTVMD-QWRGUYRKSA-N 2 2 225.340 0.596 20 0 BCADLP Cc1nc(N2CC[C@@H]([NH+]3CCCC3)C2)nc(N)[nH+]1 ZINC000385117963 411964684 /nfs/dbraw/zinc/96/46/84/411964684.db2.gz RGMYBLVGVWBFQM-SNVBAGLBSA-N 2 2 248.334 0.437 20 0 BCADLP Cc1nc(N2CC[C@H](C[NH+](C)C)C2)nc(N)[nH+]1 ZINC000631203395 411964725 /nfs/dbraw/zinc/96/47/25/411964725.db2.gz OVTJLTDPJOWVPI-SECBINFHSA-N 2 2 236.323 0.150 20 0 BCADLP Cc1nc(N)nc(N2CC[C@H](C[NH+](C)C)C2)[nH+]1 ZINC000631203395 411964729 /nfs/dbraw/zinc/96/47/29/411964729.db2.gz OVTJLTDPJOWVPI-SECBINFHSA-N 2 2 236.323 0.150 20 0 BCADLP Cc1nc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)nc(N)[nH+]1 ZINC000631188895 411966481 /nfs/dbraw/zinc/96/64/81/411966481.db2.gz LBEVMNGXKDLEHC-SFYZADRCSA-N 2 2 236.323 0.291 20 0 BCADLP Cc1nc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)nc(N)[nH+]1 ZINC000631188895 411966484 /nfs/dbraw/zinc/96/64/84/411966484.db2.gz LBEVMNGXKDLEHC-SFYZADRCSA-N 2 2 236.323 0.291 20 0 BCADLP Cc1nc(N[C@H]2CC[N@H+](C)[C@H](C)C2)nc(N)[nH+]1 ZINC000383608075 411969265 /nfs/dbraw/zinc/96/92/65/411969265.db2.gz RXMAUPQLDNKZRP-APPZFPTMSA-N 2 2 236.323 0.657 20 0 BCADLP Cc1nc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)nc(N)[nH+]1 ZINC000383608075 411969271 /nfs/dbraw/zinc/96/92/71/411969271.db2.gz RXMAUPQLDNKZRP-APPZFPTMSA-N 2 2 236.323 0.657 20 0 BCADLP Cc1nc(N)nc(N[C@H]2CC[N@H+](C)[C@H](C)C2)[nH+]1 ZINC000383608075 411969276 /nfs/dbraw/zinc/96/92/76/411969276.db2.gz RXMAUPQLDNKZRP-APPZFPTMSA-N 2 2 236.323 0.657 20 0 BCADLP Cc1nc(N)nc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)[nH+]1 ZINC000383608075 411969280 /nfs/dbraw/zinc/96/92/80/411969280.db2.gz RXMAUPQLDNKZRP-APPZFPTMSA-N 2 2 236.323 0.657 20 0 BCADLP Nc1ncc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)s1 ZINC000566973970 411975544 /nfs/dbraw/zinc/97/55/44/411975544.db2.gz RMGQUPIXNRTEBJ-QMMMGPOBSA-N 2 2 242.348 0.275 20 0 BCADLP Nc1ncc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)s1 ZINC000566973970 411975548 /nfs/dbraw/zinc/97/55/48/411975548.db2.gz RMGQUPIXNRTEBJ-QMMMGPOBSA-N 2 2 242.348 0.275 20 0 BCADLP Nc1cc(Cn2cc(C[NH2+]C3CC3)nn2)cc[nH+]1 ZINC000641068527 411944534 /nfs/dbraw/zinc/94/45/34/411944534.db2.gz PQYSVLOWENURQE-UHFFFAOYSA-N 2 2 244.302 0.556 20 0 BCADLP Nc1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)c[nH+]1 ZINC000647756595 411957774 /nfs/dbraw/zinc/95/77/74/411957774.db2.gz YHSXPDAICJUQSS-VDAHYXPESA-N 2 2 218.260 0.353 20 0 BCADLP Nc1ccc(NC(=O)[C@@]2(F)CC[NH2+]C2)c[nH+]1 ZINC000361730481 411958746 /nfs/dbraw/zinc/95/87/46/411958746.db2.gz XPHOOLMNIJGSJQ-SNVBAGLBSA-N 2 2 224.239 0.304 20 0 BCADLP CN1CCC[C@H]([N@@H+]2CCC[C@H]([NH3+])C2)C1=O ZINC000662234082 412032827 /nfs/dbraw/zinc/03/28/27/412032827.db2.gz HXLGXODGGLCWRB-UWVGGRQHSA-N 2 2 211.309 0.030 20 0 BCADLP CN1CCC[C@H]([N@H+]2CCC[C@H]([NH3+])C2)C1=O ZINC000662234082 412032831 /nfs/dbraw/zinc/03/28/31/412032831.db2.gz HXLGXODGGLCWRB-UWVGGRQHSA-N 2 2 211.309 0.030 20 0 BCADLP C[NH2+]C1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000662242964 412037559 /nfs/dbraw/zinc/03/75/59/412037559.db2.gz FVPGVBMDOGHMPN-LLVKDONJSA-N 2 2 225.336 0.291 20 0 BCADLP Cc1cc(C[N@H+](C)CCC[NH3+])nc(C)n1 ZINC000662243961 412038841 /nfs/dbraw/zinc/03/88/41/412038841.db2.gz DWHKHFBCMFMDGX-UHFFFAOYSA-N 2 2 208.309 0.874 20 0 BCADLP Cc1cc(C[N@@H+](C)CCC[NH3+])nc(C)n1 ZINC000662243961 412038845 /nfs/dbraw/zinc/03/88/45/412038845.db2.gz DWHKHFBCMFMDGX-UHFFFAOYSA-N 2 2 208.309 0.874 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662245004 412040668 /nfs/dbraw/zinc/04/06/68/412040668.db2.gz KUDDVUYHBQVMOI-TUAOUCFPSA-N 3 2 227.352 0.034 20 0 BCADLP CC[N@H+](C[C@@H]1CCOC1)C[C@H]1C[NH2+]CCO1 ZINC000662252247 412049201 /nfs/dbraw/zinc/04/92/01/412049201.db2.gz MXFOWASFEHAIOT-NWDGAFQWSA-N 2 2 228.336 0.333 20 0 BCADLP CC[N@@H+](C[C@@H]1CCOC1)C[C@H]1C[NH2+]CCO1 ZINC000662252247 412049205 /nfs/dbraw/zinc/04/92/05/412049205.db2.gz MXFOWASFEHAIOT-NWDGAFQWSA-N 2 2 228.336 0.333 20 0 BCADLP CCC(C)(C)CC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662286229 412050763 /nfs/dbraw/zinc/05/07/63/412050763.db2.gz NRHBUKGKWCCXRP-NSHDSACASA-N 2 2 232.368 0.427 20 0 BCADLP CCC(C)(C)CC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662286229 412050766 /nfs/dbraw/zinc/05/07/66/412050766.db2.gz NRHBUKGKWCCXRP-NSHDSACASA-N 2 2 232.368 0.427 20 0 BCADLP CCOC[C@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662257570 412051435 /nfs/dbraw/zinc/05/14/35/412051435.db2.gz DWEOYXXQJSDJSH-NWDGAFQWSA-N 2 2 228.336 0.333 20 0 BCADLP CCOC[C@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662257570 412051437 /nfs/dbraw/zinc/05/14/37/412051437.db2.gz DWEOYXXQJSDJSH-NWDGAFQWSA-N 2 2 228.336 0.333 20 0 BCADLP CC(C)CO[C@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662259546 412054850 /nfs/dbraw/zinc/05/48/50/412054850.db2.gz YQXOTAIRBKFNAP-QWHCGFSZSA-N 2 2 242.363 0.722 20 0 BCADLP CC(C)CO[C@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662259546 412054852 /nfs/dbraw/zinc/05/48/52/412054852.db2.gz YQXOTAIRBKFNAP-QWHCGFSZSA-N 2 2 242.363 0.722 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3C[NH2+]CCO3)C[C@@H]21 ZINC000662267518 412061017 /nfs/dbraw/zinc/06/10/17/412061017.db2.gz WFLOHYKUNCFMIR-MROQNXINSA-N 3 2 239.363 0.034 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3C[NH2+]CCO3)C[C@@H]21 ZINC000662267518 412061021 /nfs/dbraw/zinc/06/10/21/412061021.db2.gz WFLOHYKUNCFMIR-MROQNXINSA-N 3 2 239.363 0.034 20 0 BCADLP Cc1nnc([C@H](C)[N@@H+]2CC[C@](C)(C[NH3+])C2)[nH]1 ZINC000662271452 412062085 /nfs/dbraw/zinc/06/20/85/412062085.db2.gz HFJZOTXEPPKGFL-GZMMTYOYSA-N 2 2 223.324 0.845 20 0 BCADLP Cc1nnc([C@H](C)[N@H+]2CC[C@](C)(C[NH3+])C2)[nH]1 ZINC000662271452 412062088 /nfs/dbraw/zinc/06/20/88/412062088.db2.gz HFJZOTXEPPKGFL-GZMMTYOYSA-N 2 2 223.324 0.845 20 0 BCADLP C[N@@H+](Cc1cc(C2CC2)no1)C[C@@H](O)C[NH3+] ZINC000662278478 412071670 /nfs/dbraw/zinc/07/16/70/412071670.db2.gz YCHPOEBBTHIUBD-VIFPVBQESA-N 2 2 225.292 0.303 20 0 BCADLP C[N@H+](Cc1cc(C2CC2)no1)C[C@@H](O)C[NH3+] ZINC000662278478 412071671 /nfs/dbraw/zinc/07/16/71/412071671.db2.gz YCHPOEBBTHIUBD-VIFPVBQESA-N 2 2 225.292 0.303 20 0 BCADLP C[N@@H+](Cc1cc(C2CC2)no1)C[C@H](O)C[NH3+] ZINC000662278477 412070986 /nfs/dbraw/zinc/07/09/86/412070986.db2.gz YCHPOEBBTHIUBD-SECBINFHSA-N 2 2 225.292 0.303 20 0 BCADLP C[N@H+](Cc1cc(C2CC2)no1)C[C@H](O)C[NH3+] ZINC000662278477 412070989 /nfs/dbraw/zinc/07/09/89/412070989.db2.gz YCHPOEBBTHIUBD-SECBINFHSA-N 2 2 225.292 0.303 20 0 BCADLP Cc1ccc(C[NH2+]C2(CO)CC[NH2+]CC2)c(C)n1 ZINC000662285018 412077283 /nfs/dbraw/zinc/07/72/83/412077283.db2.gz UKBPFWBFMUDMSS-UHFFFAOYSA-N 2 2 249.358 0.903 20 0 BCADLP OCC1([NH2+]Cc2ccccn2)CC[NH2+]CC1 ZINC000662286472 412077579 /nfs/dbraw/zinc/07/75/79/412077579.db2.gz IBAOCONANPWUMJ-UHFFFAOYSA-N 2 2 221.304 0.286 20 0 BCADLP CC[C@H](C(=O)N(C)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC000338971430 171223357 /nfs/dbraw/zinc/22/33/57/171223357.db2.gz GFCFWMWWDRTVTC-SECBINFHSA-N 2 2 224.308 0.708 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000369735326 171243476 /nfs/dbraw/zinc/24/34/76/171243476.db2.gz DZLZONQCFNQNPF-GHMZBOCLSA-N 2 2 227.352 0.666 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000369735326 171243477 /nfs/dbraw/zinc/24/34/77/171243477.db2.gz DZLZONQCFNQNPF-GHMZBOCLSA-N 2 2 227.352 0.666 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793658 171243894 /nfs/dbraw/zinc/24/38/94/171243894.db2.gz FZCVXUMZWAXIRN-LLVKDONJSA-N 2 2 236.319 0.784 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000369735329 171244084 /nfs/dbraw/zinc/24/40/84/171244084.db2.gz DZLZONQCFNQNPF-WDEREUQCSA-N 2 2 227.352 0.666 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000369735329 171244086 /nfs/dbraw/zinc/24/40/86/171244086.db2.gz DZLZONQCFNQNPF-WDEREUQCSA-N 2 2 227.352 0.666 20 0 BCADLP CCN1CC[C@@H]([NH+]2CCC3(CC[NH2+]3)CC2)C1=O ZINC000662284695 412076425 /nfs/dbraw/zinc/07/64/25/412076425.db2.gz YSEQZRDUDZPOBB-LLVKDONJSA-N 2 2 237.347 0.435 20 0 BCADLP C[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)CC(C)(C)[NH3+] ZINC000662294798 412083702 /nfs/dbraw/zinc/08/37/02/412083702.db2.gz NQAHFHBHRQDNIU-TXEJJXNPSA-N 2 2 241.379 0.519 20 0 BCADLP C[N@@H+](CCN1C[C@H]2CC[C@@H](C1)O2)CC(C)(C)[NH3+] ZINC000662294798 412083704 /nfs/dbraw/zinc/08/37/04/412083704.db2.gz NQAHFHBHRQDNIU-TXEJJXNPSA-N 2 2 241.379 0.519 20 0 BCADLP [NH3+]CC[N@H+](C[C@H](O)CO)CC1CCCCC1 ZINC000662289597 412080110 /nfs/dbraw/zinc/08/01/10/412080110.db2.gz SUHNYZSKPRAHLB-LBPRGKRZSA-N 2 2 230.352 0.181 20 0 BCADLP [NH3+]CC[N@@H+](C[C@H](O)CO)CC1CCCCC1 ZINC000662289597 412080113 /nfs/dbraw/zinc/08/01/13/412080113.db2.gz SUHNYZSKPRAHLB-LBPRGKRZSA-N 2 2 230.352 0.181 20 0 BCADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@@H]1C[NH2+]CCO1)C2 ZINC000662286956 412080432 /nfs/dbraw/zinc/08/04/32/412080432.db2.gz UYJIAKUCZDELFN-AVGNSLFASA-N 3 2 239.363 0.036 20 0 BCADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1C[NH2+]CCO1)C2 ZINC000662286956 412080434 /nfs/dbraw/zinc/08/04/34/412080434.db2.gz UYJIAKUCZDELFN-AVGNSLFASA-N 3 2 239.363 0.036 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC2CC1(C)C2 ZINC000662385188 412137655 /nfs/dbraw/zinc/13/76/55/412137655.db2.gz MQIIMLGWNUNPDG-CPCZMJQVSA-N 2 2 242.363 0.410 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC2CC1(C)C2 ZINC000662385188 412137657 /nfs/dbraw/zinc/13/76/57/412137657.db2.gz MQIIMLGWNUNPDG-CPCZMJQVSA-N 2 2 242.363 0.410 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC2CC1(C)C2 ZINC000662385188 412137663 /nfs/dbraw/zinc/13/76/63/412137663.db2.gz MQIIMLGWNUNPDG-CPCZMJQVSA-N 2 2 242.363 0.410 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC2CC1(C)C2 ZINC000662385188 412137666 /nfs/dbraw/zinc/13/76/66/412137666.db2.gz MQIIMLGWNUNPDG-CPCZMJQVSA-N 2 2 242.363 0.410 20 0 BCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1[nH+]ccn1C ZINC000070854718 171395661 /nfs/dbraw/zinc/39/56/61/171395661.db2.gz NBMIYEAWKCJFRS-WPRPVWTQSA-N 2 2 224.308 0.410 20 0 BCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000041051011 171396022 /nfs/dbraw/zinc/39/60/22/171396022.db2.gz GSJVCWRYWKUQSV-UWVGGRQHSA-N 2 2 224.308 0.373 20 0 BCADLP C[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)[C@@H]1CCO ZINC000662303278 412089364 /nfs/dbraw/zinc/08/93/64/412089364.db2.gz UVSXGUYNSHXIEF-JHJVBQTASA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)[C@@H]1CCO ZINC000662303278 412089369 /nfs/dbraw/zinc/08/93/69/412089369.db2.gz UVSXGUYNSHXIEF-JHJVBQTASA-N 2 2 242.363 0.458 20 0 BCADLP COC[C@H](C[N@@H+]1CC2CC1(C[NH3+])C2)OC ZINC000662305265 412090621 /nfs/dbraw/zinc/09/06/21/412090621.db2.gz GGLPBRWYZDFPOM-YVNMAJEFSA-N 2 2 214.309 0.071 20 0 BCADLP COC[C@H](C[N@H+]1CC2CC1(C[NH3+])C2)OC ZINC000662305265 412090624 /nfs/dbraw/zinc/09/06/24/412090624.db2.gz GGLPBRWYZDFPOM-YVNMAJEFSA-N 2 2 214.309 0.071 20 0 BCADLP C[C@H](CN1CCOCC1)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662304801 412090713 /nfs/dbraw/zinc/09/07/13/412090713.db2.gz BUGGFUHYJXSQBP-PNESKVBLSA-N 2 2 239.363 0.130 20 0 BCADLP C[C@H](CN1CCOCC1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662304801 412090718 /nfs/dbraw/zinc/09/07/18/412090718.db2.gz BUGGFUHYJXSQBP-PNESKVBLSA-N 2 2 239.363 0.130 20 0 BCADLP Cn1ccc(C[N@@H+]2CC3CC2(C[NH3+])C3)cc1=O ZINC000662307352 412093081 /nfs/dbraw/zinc/09/30/81/412093081.db2.gz KZRQPXZGAHOAEE-UHFFFAOYSA-N 2 2 233.315 0.308 20 0 BCADLP Cn1ccc(C[N@H+]2CC3CC2(C[NH3+])C3)cc1=O ZINC000662307352 412093083 /nfs/dbraw/zinc/09/30/83/412093083.db2.gz KZRQPXZGAHOAEE-UHFFFAOYSA-N 2 2 233.315 0.308 20 0 BCADLP [NH3+]CCC[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000662316662 412097625 /nfs/dbraw/zinc/09/76/25/412097625.db2.gz LPALMEWYWNQXQZ-UHFFFAOYSA-N 2 2 222.288 0.935 20 0 BCADLP [NH3+]CCC[N@H+]1CCOc2ccc(O)cc2C1 ZINC000662316662 412097628 /nfs/dbraw/zinc/09/76/28/412097628.db2.gz LPALMEWYWNQXQZ-UHFFFAOYSA-N 2 2 222.288 0.935 20 0 BCADLP CC(C)OCC[N@@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662323547 412101441 /nfs/dbraw/zinc/10/14/41/412101441.db2.gz XXUYJQQOEVLAMF-NXEZZACHSA-N 2 2 204.289 0.783 20 0 BCADLP CC(C)OCC[N@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662323547 412101445 /nfs/dbraw/zinc/10/14/45/412101445.db2.gz XXUYJQQOEVLAMF-NXEZZACHSA-N 2 2 204.289 0.783 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662327349 412105058 /nfs/dbraw/zinc/10/50/58/412105058.db2.gz OEBIBOVRQOMZFZ-ZDUSSCGKSA-N 3 2 243.395 0.639 20 0 BCADLP C[NH2+]CCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662327349 412105061 /nfs/dbraw/zinc/10/50/61/412105061.db2.gz OEBIBOVRQOMZFZ-ZDUSSCGKSA-N 3 2 243.395 0.639 20 0 BCADLP C[N@H+](C[C@H]1CC1(C)C)C[C@H]1C[NH2+]CCO1 ZINC000662332554 412105728 /nfs/dbraw/zinc/10/57/28/412105728.db2.gz XACZHAOACPYSNS-GHMZBOCLSA-N 2 2 212.337 0.953 20 0 BCADLP C[N@@H+](C[C@H]1CC1(C)C)C[C@H]1C[NH2+]CCO1 ZINC000662332554 412105732 /nfs/dbraw/zinc/10/57/32/412105732.db2.gz XACZHAOACPYSNS-GHMZBOCLSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@]1(C(F)F)C[N@H+](CCC[NH3+])CCO1 ZINC000662336130 412106821 /nfs/dbraw/zinc/10/68/21/412106821.db2.gz VRNFHJXKRCCWQT-SECBINFHSA-N 2 2 208.252 0.691 20 0 BCADLP C[C@]1(C(F)F)C[N@@H+](CCC[NH3+])CCO1 ZINC000662336130 412106823 /nfs/dbraw/zinc/10/68/23/412106823.db2.gz VRNFHJXKRCCWQT-SECBINFHSA-N 2 2 208.252 0.691 20 0 BCADLP C[C@@]1(C(F)F)C[N@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000662335756 412106892 /nfs/dbraw/zinc/10/68/92/412106892.db2.gz QGLIBMQZNCLZBE-ONGXEEELSA-N 2 2 234.290 0.952 20 0 BCADLP C[C@@]1(C(F)F)C[N@@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000662335756 412106895 /nfs/dbraw/zinc/10/68/95/412106895.db2.gz QGLIBMQZNCLZBE-ONGXEEELSA-N 2 2 234.290 0.952 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000662372586 412130070 /nfs/dbraw/zinc/13/00/70/412130070.db2.gz YNQLXQHAERRCSA-WDEREUQCSA-N 2 2 248.330 0.737 20 0 BCADLP C[C@H]1C[C@H](N[C@H]2CC[NH2+]C2)c2[nH+]ccn21 ZINC000665241137 412182653 /nfs/dbraw/zinc/18/26/53/412182653.db2.gz AECISWNCDHWWJX-GUBZILKMSA-N 2 2 206.293 0.840 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)N[C@H]1CC[NH2+]C1 ZINC000665241158 412184229 /nfs/dbraw/zinc/18/42/29/412184229.db2.gz AUYIUYHSJDHAGW-UWVGGRQHSA-N 2 2 208.309 0.916 20 0 BCADLP CC[C@H](Cn1cncn1)[NH2+][C@H]1CC[NH2+]C1 ZINC000665242362 412184330 /nfs/dbraw/zinc/18/43/30/412184330.db2.gz URDQSPYTFXCSME-ZJUUUORDSA-N 2 2 209.297 0.008 20 0 BCADLP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1([NH3+])CCCC1 ZINC000665246598 412190402 /nfs/dbraw/zinc/19/04/02/412190402.db2.gz JLZSKAUEWHIOQN-GHMZBOCLSA-N 3 2 211.353 0.975 20 0 BCADLP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1([NH3+])CCCC1 ZINC000665246730 412191682 /nfs/dbraw/zinc/19/16/82/412191682.db2.gz MNJYGFOLLIXIJW-SRVKXCTJSA-N 3 2 241.379 0.600 20 0 BCADLP Cc1[nH]c2ccc(NC(=O)C3(O)C[NH2+]C3)cc2[nH+]1 ZINC000662492007 412194250 /nfs/dbraw/zinc/19/42/50/412194250.db2.gz CTTSLMQKCKBORN-UHFFFAOYSA-N 2 2 246.270 0.144 20 0 BCADLP COc1ccnc(C[NH2+][C@H](C)C2C[NH2+]C2)c1F ZINC000665266983 412210677 /nfs/dbraw/zinc/21/06/77/412210677.db2.gz NMFICNCDODIMQE-MRVPVSSYSA-N 2 2 239.294 0.927 20 0 BCADLP CC[C@H]([NH2+]C)C(=O)NCCCCn1cc[nH+]c1 ZINC000662400332 412148499 /nfs/dbraw/zinc/14/84/99/412148499.db2.gz SAEDVMCJFKQDBS-NSHDSACASA-N 2 2 238.335 0.778 20 0 BCADLP CC[C@H]([NH2+]C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000662418665 412159676 /nfs/dbraw/zinc/15/96/76/412159676.db2.gz WVQNZTGDDIMXKV-NSHDSACASA-N 2 2 225.336 0.291 20 0 BCADLP C[NH+](C)CCNc1cccc(-n2cc[nH+]c2)n1 ZINC000362314422 412162591 /nfs/dbraw/zinc/16/25/91/412162591.db2.gz BSROECRONKTOJO-UHFFFAOYSA-N 2 2 231.303 1.241 20 0 BCADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCNC2=O)c2ccccc21 ZINC000665228900 412165006 /nfs/dbraw/zinc/16/50/06/412165006.db2.gz KFMJROIAFGJNQK-WOPDTQHZSA-N 2 2 231.299 0.609 20 0 BCADLP [NH3+]C1(C(=O)NCCn2cc[nH+]c2)CC2(CCC2)C1 ZINC000662663051 412262054 /nfs/dbraw/zinc/26/20/54/412262054.db2.gz DLRKLKSCBSZWAR-UHFFFAOYSA-N 2 2 248.330 0.661 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1ccoc1 ZINC000662664407 412263838 /nfs/dbraw/zinc/26/38/38/412263838.db2.gz WXOJLSFNEISLMA-NSHDSACASA-N 2 2 239.319 0.217 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCNc1cnccn1 ZINC000532551712 412265695 /nfs/dbraw/zinc/26/56/95/412265695.db2.gz CZLOMLWKXZTFTF-WDEREUQCSA-N 2 2 235.335 0.428 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNc1cnccn1 ZINC000532551712 412265698 /nfs/dbraw/zinc/26/56/98/412265698.db2.gz CZLOMLWKXZTFTF-WDEREUQCSA-N 2 2 235.335 0.428 20 0 BCADLP [NH3+][C@H]1C[C@H](C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000662699663 412276080 /nfs/dbraw/zinc/27/60/80/412276080.db2.gz DADDMRDWBPQCOG-XYPYZODXSA-N 2 2 248.330 0.784 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@H]2C[C@H]2C1 ZINC000662704440 412276736 /nfs/dbraw/zinc/27/67/36/412276736.db2.gz IDPZTZBISHBULQ-DCAQKATOSA-N 2 2 225.336 0.134 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)CC[N@@H+]1C ZINC000665277762 412221365 /nfs/dbraw/zinc/22/13/65/412221365.db2.gz KVEANKJZDYRMEA-QCXCNERSSA-N 3 2 223.364 0.811 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)CC[N@H+]1C ZINC000665277762 412221369 /nfs/dbraw/zinc/22/13/69/412221369.db2.gz KVEANKJZDYRMEA-QCXCNERSSA-N 3 2 223.364 0.811 20 0 BCADLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279844 412222861 /nfs/dbraw/zinc/22/28/61/412222861.db2.gz NMEJCWXQNBAGQB-QCXCNERSSA-N 3 2 223.364 0.716 20 0 BCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662584534 412228872 /nfs/dbraw/zinc/22/88/72/412228872.db2.gz CMDXHGSYYYPWMX-WPRPVWTQSA-N 2 2 224.308 0.742 20 0 BCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662584534 412228875 /nfs/dbraw/zinc/22/88/75/412228875.db2.gz CMDXHGSYYYPWMX-WPRPVWTQSA-N 2 2 224.308 0.742 20 0 BCADLP C[C@H]([NH2+][C@H]1CCC[C@@H]1[NH3+])c1nccn1C ZINC000665283802 412229470 /nfs/dbraw/zinc/22/94/70/412229470.db2.gz VLRBLLNOFHQIPL-GUBZILKMSA-N 2 2 208.309 0.951 20 0 BCADLP C[C@H](N[C@H]1CCC[C@@H]1[NH3+])c1[nH+]ccn1C ZINC000665283802 412229473 /nfs/dbraw/zinc/22/94/73/412229473.db2.gz VLRBLLNOFHQIPL-GUBZILKMSA-N 2 2 208.309 0.951 20 0 BCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662586376 412229910 /nfs/dbraw/zinc/22/99/10/412229910.db2.gz TVNMSAYLBMSRBL-SCZZXKLOSA-N 2 2 222.292 0.366 20 0 BCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662586376 412229914 /nfs/dbraw/zinc/22/99/14/412229914.db2.gz TVNMSAYLBMSRBL-SCZZXKLOSA-N 2 2 222.292 0.366 20 0 BCADLP CC(C)OC[C@H]([NH3+])C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662584749 412231227 /nfs/dbraw/zinc/23/12/27/412231227.db2.gz FQQGYJYISJCUBE-JTQLQIEISA-N 2 2 240.307 0.120 20 0 BCADLP CC(C)OC[C@H]([NH3+])C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662584749 412231228 /nfs/dbraw/zinc/23/12/28/412231228.db2.gz FQQGYJYISJCUBE-JTQLQIEISA-N 2 2 240.307 0.120 20 0 BCADLP C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)[C@H]1CCC[NH2+]1 ZINC000665299536 412246432 /nfs/dbraw/zinc/24/64/32/412246432.db2.gz OUDMPECMMUYSCS-IVZWLZJFSA-N 2 2 234.365 0.150 20 0 BCADLP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)S(C)(=O)=O ZINC000665299537 412246763 /nfs/dbraw/zinc/24/67/63/412246763.db2.gz OUDMPECMMUYSCS-KXUCPTDWSA-N 2 2 234.365 0.150 20 0 BCADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)S(C)(=O)=O ZINC000665299265 412247495 /nfs/dbraw/zinc/24/74/95/412247495.db2.gz JMHDVLNVHJYOHK-VWYCJHECSA-N 2 2 248.392 0.540 20 0 BCADLP C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)[C@@H]1CCCC[NH2+]1 ZINC000665299258 412247753 /nfs/dbraw/zinc/24/77/53/412247753.db2.gz JMHDVLNVHJYOHK-AXFHLTTASA-N 2 2 248.392 0.540 20 0 BCADLP [NH3+][C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)c2ccccc21 ZINC000665299316 412247851 /nfs/dbraw/zinc/24/78/51/412247851.db2.gz KFMJROIAFGJNQK-SRVKXCTJSA-N 2 2 231.299 0.609 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000662838323 412317098 /nfs/dbraw/zinc/31/70/98/412317098.db2.gz GNSNVLJTFVHNPD-SECBINFHSA-N 2 2 224.308 0.742 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000662838323 412317099 /nfs/dbraw/zinc/31/70/99/412317099.db2.gz GNSNVLJTFVHNPD-SECBINFHSA-N 2 2 224.308 0.742 20 0 BCADLP CC[C@]1(C(=O)N(C)Cc2c[nH+]c[nH]2)CCC[NH2+]1 ZINC000662838247 412317417 /nfs/dbraw/zinc/31/74/17/412317417.db2.gz FTFFUAIPTBEBLC-GFCCVEGCSA-N 2 2 236.319 0.900 20 0 BCADLP CC[C@]1(C(=O)N(C)Cc2c[nH]c[nH+]2)CCC[NH2+]1 ZINC000662838247 412317420 /nfs/dbraw/zinc/31/74/20/412317420.db2.gz FTFFUAIPTBEBLC-GFCCVEGCSA-N 2 2 236.319 0.900 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H](C)C[NH2+]C ZINC000662899252 412339559 /nfs/dbraw/zinc/33/95/59/412339559.db2.gz FDNWYLFTCKYNNB-NXEZZACHSA-N 2 2 238.335 0.936 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000662903238 412341422 /nfs/dbraw/zinc/34/14/22/412341422.db2.gz XTCVRWKKILUAJZ-BBBLOLIVSA-N 2 2 236.319 0.818 20 0 BCADLP C[C@@H](NC(=O)c1c[nH+]ccc1N)c1[nH+]ccn1C ZINC000662933134 412347797 /nfs/dbraw/zinc/34/77/97/412347797.db2.gz GVUCMJNKRCDBAC-MRVPVSSYSA-N 2 2 245.286 0.719 20 0 BCADLP C[C@H](NC(=O)[C@@H]1CSC[NH2+]1)c1[nH+]ccn1C ZINC000662932758 412347880 /nfs/dbraw/zinc/34/78/80/412347880.db2.gz FHYYFLKZCGRTBF-YUMQZZPRSA-N 2 2 240.332 0.260 20 0 BCADLP C[C@@H](NC(=O)C1([NH3+])CCC1)c1[nH+]ccn1C ZINC000662935347 412349441 /nfs/dbraw/zinc/34/94/41/412349441.db2.gz UTCDCZQOTDDFFY-MRVPVSSYSA-N 2 2 222.292 0.479 20 0 BCADLP C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1[nH+]ccn1C ZINC000662933859 412349575 /nfs/dbraw/zinc/34/95/75/412349575.db2.gz KIMRTTMFMBQNPC-CIUDSAMLSA-N 2 2 222.292 0.335 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662935674 412349653 /nfs/dbraw/zinc/34/96/53/412349653.db2.gz XOJWQSKBCPXQPF-HLTSFMKQSA-N 2 2 224.308 0.581 20 0 BCADLP CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662935774 412349947 /nfs/dbraw/zinc/34/99/47/412349947.db2.gz ZGWWJXUPCULHDT-DTWKUNHWSA-N 2 2 224.308 0.595 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662935676 412350156 /nfs/dbraw/zinc/35/01/56/412350156.db2.gz XOJWQSKBCPXQPF-YIZRAAEISA-N 2 2 224.308 0.581 20 0 BCADLP COCC[N@H+](C)CCNc1nc(C)[nH+]cc1C ZINC000565223044 412364986 /nfs/dbraw/zinc/36/49/86/412364986.db2.gz SHEHVGKIOZBEMC-UHFFFAOYSA-N 2 2 238.335 1.084 20 0 BCADLP COCC[N@@H+](C)CCNc1nc(C)[nH+]cc1C ZINC000565223044 412364987 /nfs/dbraw/zinc/36/49/87/412364987.db2.gz SHEHVGKIOZBEMC-UHFFFAOYSA-N 2 2 238.335 1.084 20 0 BCADLP CC[C@@H]([NH2+]C)C(=O)NCc1[nH]c[nH+]c1C ZINC000662753763 412291512 /nfs/dbraw/zinc/29/15/12/412291512.db2.gz WWRFUDSLBXZSKE-MRVPVSSYSA-N 2 2 210.281 0.332 20 0 BCADLP C[C@@H]([NH3+])C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000662761261 412293845 /nfs/dbraw/zinc/29/38/45/412293845.db2.gz OGKFAVOIJJUYDC-BDAKNGLRSA-N 2 2 236.319 0.677 20 0 BCADLP CC1(C)CC[NH2+][C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000662791288 412303973 /nfs/dbraw/zinc/30/39/73/412303973.db2.gz IWAFGKIJNWSHRD-SECBINFHSA-N 2 2 222.292 0.414 20 0 BCADLP CC1(C)CC[NH2+][C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000662791288 412303976 /nfs/dbraw/zinc/30/39/76/412303976.db2.gz IWAFGKIJNWSHRD-SECBINFHSA-N 2 2 222.292 0.414 20 0 BCADLP COc1c(N)[nH+]cnc1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000663239932 412398894 /nfs/dbraw/zinc/39/88/94/412398894.db2.gz QWEWEPXIDPYMMJ-BDAKNGLRSA-N 2 2 249.318 0.256 20 0 BCADLP COc1c(N)[nH+]cnc1N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000663240484 412399082 /nfs/dbraw/zinc/39/90/82/412399082.db2.gz BWMMHGFIDNVWIK-DTWKUNHWSA-N 2 2 249.318 0.256 20 0 BCADLP CCc1nocc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000339350121 172099786 /nfs/dbraw/zinc/09/97/86/172099786.db2.gz XPJWXEUWXRBDMZ-LBPRGKRZSA-N 2 2 239.319 0.393 20 0 BCADLP CCc1nocc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000339350121 172099787 /nfs/dbraw/zinc/09/97/87/172099787.db2.gz XPJWXEUWXRBDMZ-LBPRGKRZSA-N 2 2 239.319 0.393 20 0 BCADLP CCn1nccc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358154618 172270090 /nfs/dbraw/zinc/27/00/90/172270090.db2.gz DTGJUOOHTXQPHQ-LBPRGKRZSA-N 2 2 238.335 0.059 20 0 BCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1c[nH+]cn1C ZINC000177240195 172385109 /nfs/dbraw/zinc/38/51/09/172385109.db2.gz KBPCMTFZIZLYNQ-NSHDSACASA-N 2 2 236.319 0.473 20 0 BCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1c[nH+]cn1C ZINC000177240195 172385111 /nfs/dbraw/zinc/38/51/11/172385111.db2.gz KBPCMTFZIZLYNQ-NSHDSACASA-N 2 2 236.319 0.473 20 0 BCADLP 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CNC(=O)C[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000336762846 173282687 /nfs/dbraw/zinc/28/26/87/173282687.db2.gz LUUWEZFUMLDAQX-GARJFASQSA-N 2 2 227.352 0.583 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000308941281 173282809 /nfs/dbraw/zinc/28/28/09/173282809.db2.gz MGEBCRZZVJUYPP-KXUCPTDWSA-N 2 2 213.325 0.051 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000308941281 173282810 /nfs/dbraw/zinc/28/28/10/173282810.db2.gz MGEBCRZZVJUYPP-KXUCPTDWSA-N 2 2 213.325 0.051 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000323065180 173283290 /nfs/dbraw/zinc/28/32/90/173283290.db2.gz UZCPGQSBQFCALQ-DCAQKATOSA-N 2 2 239.363 0.726 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000323065180 173283291 /nfs/dbraw/zinc/28/32/91/173283291.db2.gz UZCPGQSBQFCALQ-DCAQKATOSA-N 2 2 239.363 0.726 20 0 BCADLP C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000037469305 173323434 /nfs/dbraw/zinc/32/34/34/173323434.db2.gz BJKCDKPQQKHRBA-UHFFFAOYSA-N 2 2 227.352 0.002 20 0 BCADLP C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000037469305 173323436 /nfs/dbraw/zinc/32/34/36/173323436.db2.gz BJKCDKPQQKHRBA-UHFFFAOYSA-N 2 2 227.352 0.002 20 0 BCADLP C[NH2+]CC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000237229128 173329522 /nfs/dbraw/zinc/32/95/22/173329522.db2.gz KIOQQKUOPKPJLX-UHFFFAOYSA-N 2 2 232.287 0.212 20 0 BCADLP C[NH2+]CC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000082256375 173334527 /nfs/dbraw/zinc/33/45/27/173334527.db2.gz XLHOKKGWFLZXLF-UHFFFAOYSA-N 2 2 240.332 0.289 20 0 BCADLP C[NH2+]CC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000082256375 173334529 /nfs/dbraw/zinc/33/45/29/173334529.db2.gz XLHOKKGWFLZXLF-UHFFFAOYSA-N 2 2 240.332 0.289 20 0 BCADLP C[NH2+]CCC(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000285798293 173340543 /nfs/dbraw/zinc/34/05/43/173340543.db2.gz PURYRSRSTNEQHG-UHFFFAOYSA-N 2 2 246.314 0.868 20 0 BCADLP C[NH2+]CCCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000262661906 173344720 /nfs/dbraw/zinc/34/47/20/173344720.db2.gz GNOSBHCRENQQTJ-UHFFFAOYSA-N 2 2 246.314 0.950 20 0 BCADLP C[NH2+]CCCCNc1[nH+]cnc2c1cnn2C ZINC000119712057 173344916 /nfs/dbraw/zinc/34/49/16/173344916.db2.gz HYEMBNGPFQLPEH-UHFFFAOYSA-N 2 2 234.307 0.775 20 0 BCADLP C[NH2+]CCN(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000263270899 173353065 /nfs/dbraw/zinc/35/30/65/173353065.db2.gz WWPBUYHZLQECHT-UHFFFAOYSA-N 2 2 232.287 0.626 20 0 BCADLP C[NH2+]C[C@@H](C)C(=O)Nc1c[nH+]ccc1OC ZINC000237255521 173363938 /nfs/dbraw/zinc/36/39/38/173363938.db2.gz QXOOOXRTXMWYOL-MRVPVSSYSA-N 2 2 223.276 0.884 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NCC2CC2)C1 ZINC000040598588 173368396 /nfs/dbraw/zinc/36/83/96/173368396.db2.gz JTNJVCVYWGVLPU-LBPRGKRZSA-N 2 2 239.363 0.444 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000040598588 173368397 /nfs/dbraw/zinc/36/83/97/173368397.db2.gz JTNJVCVYWGVLPU-LBPRGKRZSA-N 2 2 239.363 0.444 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCn1cccn1 ZINC000042390603 173368591 /nfs/dbraw/zinc/36/85/91/173368591.db2.gz GKSNUMVZDGILQB-NSHDSACASA-N 2 2 208.309 0.567 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCn1cccn1 ZINC000042390603 173368593 /nfs/dbraw/zinc/36/85/93/173368593.db2.gz GKSNUMVZDGILQB-NSHDSACASA-N 2 2 208.309 0.567 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000071146431 173371063 /nfs/dbraw/zinc/37/10/63/173371063.db2.gz WVSIYEFTOMKKBU-NSHDSACASA-N 2 2 245.330 0.771 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000071146431 173371064 /nfs/dbraw/zinc/37/10/64/173371064.db2.gz WVSIYEFTOMKKBU-NSHDSACASA-N 2 2 245.330 0.771 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NCC(C)C)C1 ZINC000040601178 173379060 /nfs/dbraw/zinc/37/90/60/173379060.db2.gz QOLYRYQZDNNQGZ-GFCCVEGCSA-N 2 2 241.379 0.690 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NCC(C)C)C1 ZINC000040601178 173379062 /nfs/dbraw/zinc/37/90/62/173379062.db2.gz QOLYRYQZDNNQGZ-GFCCVEGCSA-N 2 2 241.379 0.690 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000123629123 173379916 /nfs/dbraw/zinc/37/99/16/173379916.db2.gz ZXUQRTRZJOAWFJ-CYBMUJFWSA-N 2 2 247.342 0.969 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000123629123 173379917 /nfs/dbraw/zinc/37/99/17/173379917.db2.gz ZXUQRTRZJOAWFJ-CYBMUJFWSA-N 2 2 247.342 0.969 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NC(C)C)C1 ZINC000070799838 173380705 /nfs/dbraw/zinc/38/07/05/173380705.db2.gz ZKAZIYDCEVVHTF-SNVBAGLBSA-N 2 2 213.325 0.052 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NC(C)C)C1 ZINC000070799838 173380706 /nfs/dbraw/zinc/38/07/06/173380706.db2.gz ZKAZIYDCEVVHTF-SNVBAGLBSA-N 2 2 213.325 0.052 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC000070798718 173381402 /nfs/dbraw/zinc/38/14/02/173381402.db2.gz HDQOLECSRRUOES-SNVBAGLBSA-N 2 2 208.309 0.461 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC000070798718 173381404 /nfs/dbraw/zinc/38/14/04/173381404.db2.gz HDQOLECSRRUOES-SNVBAGLBSA-N 2 2 208.309 0.461 20 0 BCADLP COC1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000310376210 174027619 /nfs/dbraw/zinc/02/76/19/174027619.db2.gz ZSAKTIKTMLOVHK-LBPRGKRZSA-N 2 2 242.363 0.552 20 0 BCADLP COC1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000310376210 174027622 /nfs/dbraw/zinc/02/76/22/174027622.db2.gz ZSAKTIKTMLOVHK-LBPRGKRZSA-N 2 2 242.363 0.552 20 0 BCADLP COCCCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000308586012 174203565 /nfs/dbraw/zinc/20/35/65/174203565.db2.gz IKEIELNFFCNEHD-QWRGUYRKSA-N 2 2 200.326 0.953 20 0 BCADLP COCCCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000308586012 174203566 /nfs/dbraw/zinc/20/35/66/174203566.db2.gz IKEIELNFFCNEHD-QWRGUYRKSA-N 2 2 200.326 0.953 20 0 BCADLP COCC[N@H+](C)CCC[NH2+]Cc1[nH]ncc1C ZINC000290025045 174275986 /nfs/dbraw/zinc/27/59/86/174275986.db2.gz VJKYPLJNWWNGEU-UHFFFAOYSA-N 2 2 240.351 0.776 20 0 BCADLP COCC[N@@H+](C)CCC[NH2+]Cc1[nH]ncc1C ZINC000290025045 174275987 /nfs/dbraw/zinc/27/59/87/174275987.db2.gz VJKYPLJNWWNGEU-UHFFFAOYSA-N 2 2 240.351 0.776 20 0 BCADLP COCC[N@H+](C)CCC[NH2+]Cc1n[nH]cc1C ZINC000290025045 174275989 /nfs/dbraw/zinc/27/59/89/174275989.db2.gz VJKYPLJNWWNGEU-UHFFFAOYSA-N 2 2 240.351 0.776 20 0 BCADLP COCC[N@@H+](C)CCC[NH2+]Cc1n[nH]cc1C ZINC000290025045 174275991 /nfs/dbraw/zinc/27/59/91/174275991.db2.gz VJKYPLJNWWNGEU-UHFFFAOYSA-N 2 2 240.351 0.776 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCC[C@@H](C)CO)C1 ZINC000336903938 174313216 /nfs/dbraw/zinc/31/32/16/174313216.db2.gz VQLHJGFUXKAEGL-CHWSQXEVSA-N 2 2 244.379 0.705 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCC[C@@H](C)CO)C1 ZINC000336903938 174313218 /nfs/dbraw/zinc/31/32/18/174313218.db2.gz VQLHJGFUXKAEGL-CHWSQXEVSA-N 2 2 244.379 0.705 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+]CC[C@H](C)OC)C1 ZINC000336777706 174315023 /nfs/dbraw/zinc/31/50/23/174315023.db2.gz JHHKGZAZMXSNFG-RYUDHWBXSA-N 2 2 230.352 0.722 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)OC)C1 ZINC000336777706 174315025 /nfs/dbraw/zinc/31/50/25/174315025.db2.gz JHHKGZAZMXSNFG-RYUDHWBXSA-N 2 2 230.352 0.722 20 0 BCADLP COCCOCC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000377112481 174355677 /nfs/dbraw/zinc/35/56/77/174355677.db2.gz GACRGAINNPZJEG-QWHCGFSZSA-N 2 2 242.363 0.675 20 0 BCADLP COCCOCC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000377112481 174355679 /nfs/dbraw/zinc/35/56/79/174355679.db2.gz GACRGAINNPZJEG-QWHCGFSZSA-N 2 2 242.363 0.675 20 0 BCADLP COCCOCC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000377112481 174355682 /nfs/dbraw/zinc/35/56/82/174355682.db2.gz GACRGAINNPZJEG-QWHCGFSZSA-N 2 2 242.363 0.675 20 0 BCADLP COCCOCC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000377112481 174355684 /nfs/dbraw/zinc/35/56/84/174355684.db2.gz GACRGAINNPZJEG-QWHCGFSZSA-N 2 2 242.363 0.675 20 0 BCADLP Cn1cc[nH+]c1Cn1cc(CCCC[NH3+])nn1 ZINC000228373481 487629552 /nfs/dbraw/zinc/62/95/52/487629552.db2.gz HTUGCCHMOQDTMQ-UHFFFAOYSA-N 2 2 234.307 0.341 20 0 BCADLP COc1cc[nH+]c(CN2CC[NH+](C)CC2)c1 ZINC000264457582 175359447 /nfs/dbraw/zinc/35/94/47/175359447.db2.gz UKWDLMRNKOPAIH-UHFFFAOYSA-N 2 2 221.304 0.838 20 0 BCADLP COc1cc[nH+]cc1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000294405421 175371563 /nfs/dbraw/zinc/37/15/63/175371563.db2.gz FDDNZUWNOLHJRW-LLVKDONJSA-N 2 2 249.314 0.801 20 0 BCADLP COc1cc[nH+]cc1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000294405421 175371566 /nfs/dbraw/zinc/37/15/66/175371566.db2.gz FDDNZUWNOLHJRW-LLVKDONJSA-N 2 2 249.314 0.801 20 0 BCADLP C[C@@H]([NH3+])CC(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000037608170 175803585 /nfs/dbraw/zinc/80/35/85/175803585.db2.gz KQEZEXJHAJFSGN-SECBINFHSA-N 2 2 245.286 0.943 20 0 BCADLP C[C@@H]1CC(=O)NCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000371474311 176049025 /nfs/dbraw/zinc/04/90/25/176049025.db2.gz YOHMBORJGBUWRN-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP C[C@@H]1CC(=O)NCC[N@H+]1CCCn1cc[nH+]c1 ZINC000371474311 176049027 /nfs/dbraw/zinc/04/90/27/176049027.db2.gz YOHMBORJGBUWRN-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000333311041 176186460 /nfs/dbraw/zinc/18/64/60/176186460.db2.gz RVTBBTCTDDJVOC-IRUJWGPZSA-N 2 2 234.347 0.855 20 0 BCADLP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC[NH2+]C(C)(C)C ZINC000042438688 176222407 /nfs/dbraw/zinc/22/24/07/176222407.db2.gz MEJQVZRAMMROSD-MNOVXSKESA-N 2 2 241.379 0.960 20 0 BCADLP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC[NH2+]C(C)(C)C ZINC000042438688 176222408 /nfs/dbraw/zinc/22/24/08/176222408.db2.gz MEJQVZRAMMROSD-MNOVXSKESA-N 2 2 241.379 0.960 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCC(O)CC1 ZINC000309105282 176271730 /nfs/dbraw/zinc/27/17/30/176271730.db2.gz HQOWUKLADLOCDL-YYJSSNLHSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCC(O)CC1 ZINC000309105282 176271731 /nfs/dbraw/zinc/27/17/31/176271731.db2.gz HQOWUKLADLOCDL-YYJSSNLHSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(CO)CCOCC1 ZINC000358346207 176272204 /nfs/dbraw/zinc/27/22/04/176272204.db2.gz BCWGVDKIRWFHCC-NEPJUHHUSA-N 2 2 242.363 0.315 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(CO)CCOCC1 ZINC000358346207 176272205 /nfs/dbraw/zinc/27/22/05/176272205.db2.gz BCWGVDKIRWFHCC-NEPJUHHUSA-N 2 2 242.363 0.315 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000336748660 176272771 /nfs/dbraw/zinc/27/27/71/176272771.db2.gz DLDIBRHFEJELAE-NEPJUHHUSA-N 3 2 213.369 0.868 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000336748660 176272772 /nfs/dbraw/zinc/27/27/72/176272772.db2.gz DLDIBRHFEJELAE-NEPJUHHUSA-N 3 2 213.369 0.868 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNC(=O)C1CC1 ZINC000309808589 176272777 /nfs/dbraw/zinc/27/27/77/176272777.db2.gz SVWHFHYZCLNCOF-KOLCDFICSA-N 2 2 225.336 0.052 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNC(=O)C1CC1 ZINC000309808589 176272778 /nfs/dbraw/zinc/27/27/78/176272778.db2.gz SVWHFHYZCLNCOF-KOLCDFICSA-N 2 2 225.336 0.052 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000309120694 176274431 /nfs/dbraw/zinc/27/44/31/176274431.db2.gz NPTPKMVLYHGDLP-LMLFDSFASA-N 2 2 212.337 0.686 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000309120694 176274432 /nfs/dbraw/zinc/27/44/32/176274432.db2.gz NPTPKMVLYHGDLP-LMLFDSFASA-N 2 2 212.337 0.686 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@]1(C)CCOC1 ZINC000336747929 176275167 /nfs/dbraw/zinc/27/51/67/176275167.db2.gz CXLVPXPGLBJLHZ-WOPDTQHZSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@]1(C)CCOC1 ZINC000336747929 176275168 /nfs/dbraw/zinc/27/51/68/176275168.db2.gz CXLVPXPGLBJLHZ-WOPDTQHZSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000309827575 176275190 /nfs/dbraw/zinc/27/51/90/176275190.db2.gz XPQVVEBQCBRIRU-VWYCJHECSA-N 2 2 225.336 0.147 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000309827575 176275191 /nfs/dbraw/zinc/27/51/91/176275191.db2.gz XPQVVEBQCBRIRU-VWYCJHECSA-N 2 2 225.336 0.147 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCC(C)(C)O ZINC000336656052 176276539 /nfs/dbraw/zinc/27/65/39/176276539.db2.gz OFMXASAWYZIXCT-NXEZZACHSA-N 2 2 200.326 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC(C)(C)O ZINC000336656052 176276541 /nfs/dbraw/zinc/27/65/41/176276541.db2.gz OFMXASAWYZIXCT-NXEZZACHSA-N 2 2 200.326 0.687 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(CO)CCOCC1 ZINC000358346211 176276550 /nfs/dbraw/zinc/27/65/50/176276550.db2.gz BCWGVDKIRWFHCC-VXGBXAGGSA-N 2 2 242.363 0.315 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(CO)CCOCC1 ZINC000358346211 176276552 /nfs/dbraw/zinc/27/65/52/176276552.db2.gz BCWGVDKIRWFHCC-VXGBXAGGSA-N 2 2 242.363 0.315 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@]1(O)CCSC1 ZINC000336758962 176277575 /nfs/dbraw/zinc/27/75/75/176277575.db2.gz LBJKLRNWLXNGAY-GMTAPVOTSA-N 2 2 230.377 0.394 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@]1(O)CCSC1 ZINC000336758962 176277577 /nfs/dbraw/zinc/27/75/77/176277577.db2.gz LBJKLRNWLXNGAY-GMTAPVOTSA-N 2 2 230.377 0.394 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC000336748763 176277712 /nfs/dbraw/zinc/27/77/12/176277712.db2.gz DRSYNHXZNVGMIM-IJLUTSLNSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC000336748763 176277713 /nfs/dbraw/zinc/27/77/13/176277713.db2.gz DRSYNHXZNVGMIM-IJLUTSLNSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@]1(O)CCOC1 ZINC000340042476 176281964 /nfs/dbraw/zinc/28/19/64/176281964.db2.gz DXPDIAYQKYVKDB-KGYLQXTDSA-N 2 2 240.347 0.210 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@]1(O)CCOC1 ZINC000340042476 176281966 /nfs/dbraw/zinc/28/19/66/176281966.db2.gz DXPDIAYQKYVKDB-KGYLQXTDSA-N 2 2 240.347 0.210 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1COCCO1 ZINC000358235407 176282192 /nfs/dbraw/zinc/28/21/92/176282192.db2.gz RWEWKYDJURMOOW-KGYLQXTDSA-N 2 2 240.347 0.474 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1COCCO1 ZINC000358235407 176282193 /nfs/dbraw/zinc/28/21/93/176282193.db2.gz RWEWKYDJURMOOW-KGYLQXTDSA-N 2 2 240.347 0.474 20 0 BCADLP C[C@@H]1C[NH+](C[C@@H](O)Cn2cc[nH+]c2)C[C@@H](C)O1 ZINC000221856947 176297927 /nfs/dbraw/zinc/29/79/27/176297927.db2.gz YQZFKZQDQXVWEJ-UTUOFQBUSA-N 2 2 239.319 0.353 20 0 BCADLP C[C@@H]1COCC[N@@H+]1CCc1c[nH+]cn1C ZINC000289512507 176336614 /nfs/dbraw/zinc/33/66/14/176336614.db2.gz FMSOMBWARHBUBM-SNVBAGLBSA-N 2 2 209.293 0.683 20 0 BCADLP C[C@@H]1COCC[N@H+]1CCc1c[nH+]cn1C ZINC000289512507 176336616 /nfs/dbraw/zinc/33/66/16/176336616.db2.gz FMSOMBWARHBUBM-SNVBAGLBSA-N 2 2 209.293 0.683 20 0 BCADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCOC[C@H]1C ZINC000301034549 176342254 /nfs/dbraw/zinc/34/22/54/176342254.db2.gz STHHAOBEGMGBHL-MXWKQRLJSA-N 2 2 200.326 0.951 20 0 BCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nccn1C ZINC000126937848 176368113 /nfs/dbraw/zinc/36/81/13/176368113.db2.gz CTZAXYASLUJQIO-ZJUUUORDSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nccn1C ZINC000126937848 176368114 /nfs/dbraw/zinc/36/81/14/176368114.db2.gz CTZAXYASLUJQIO-ZJUUUORDSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CC[NH+](C)C2)CC[N@@H+]1C ZINC000358259721 176376136 /nfs/dbraw/zinc/37/61/36/176376136.db2.gz USEWWZSHMVCCSK-AGIUHOORSA-N 3 2 241.379 0.125 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CC[NH+](C)C2)CC[N@H+]1C ZINC000358259721 176376139 /nfs/dbraw/zinc/37/61/39/176376139.db2.gz USEWWZSHMVCCSK-AGIUHOORSA-N 3 2 241.379 0.125 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC[NH+]1C ZINC000358259721 176376141 /nfs/dbraw/zinc/37/61/41/176376141.db2.gz USEWWZSHMVCCSK-AGIUHOORSA-N 3 2 241.379 0.125 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC[NH+]1C ZINC000358259721 176376142 /nfs/dbraw/zinc/37/61/42/176376142.db2.gz USEWWZSHMVCCSK-AGIUHOORSA-N 3 2 241.379 0.125 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(C)c2)CC[N@@H+]1C ZINC000090720872 176377204 /nfs/dbraw/zinc/37/72/04/176377204.db2.gz JQHFEVHOAVWOPS-PWSUYJOCSA-N 2 2 222.336 0.992 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(C)c2)CC[N@H+]1C ZINC000090720872 176377206 /nfs/dbraw/zinc/37/72/06/176377206.db2.gz JQHFEVHOAVWOPS-PWSUYJOCSA-N 2 2 222.336 0.992 20 0 BCADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000309094712 176396727 /nfs/dbraw/zinc/39/67/27/176396727.db2.gz CJVAPZAFPAZHGM-UTUOFQBUSA-N 2 2 211.353 0.478 20 0 BCADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000309094712 176396728 /nfs/dbraw/zinc/39/67/28/176396728.db2.gz CJVAPZAFPAZHGM-UTUOFQBUSA-N 2 2 211.353 0.478 20 0 BCADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000309094709 176397034 /nfs/dbraw/zinc/39/70/34/176397034.db2.gz CJVAPZAFPAZHGM-IJLUTSLNSA-N 2 2 211.353 0.478 20 0 BCADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000309094709 176397036 /nfs/dbraw/zinc/39/70/36/176397036.db2.gz CJVAPZAFPAZHGM-IJLUTSLNSA-N 2 2 211.353 0.478 20 0 BCADLP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336754862 177000097 /nfs/dbraw/zinc/00/00/97/177000097.db2.gz IOKNXBFNTBESND-WHOHXGKFSA-N 2 2 214.353 0.933 20 0 BCADLP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336754862 177000098 /nfs/dbraw/zinc/00/00/98/177000098.db2.gz IOKNXBFNTBESND-WHOHXGKFSA-N 2 2 214.353 0.933 20 0 BCADLP C[C@H](O)C[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336671071 177001450 /nfs/dbraw/zinc/00/14/50/177001450.db2.gz YYOAZBLPUXSUHA-NAKRPEOUSA-N 2 2 200.326 0.686 20 0 BCADLP C[C@H](O)C[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336671071 177001452 /nfs/dbraw/zinc/00/14/52/177001452.db2.gz YYOAZBLPUXSUHA-NAKRPEOUSA-N 2 2 200.326 0.686 20 0 BCADLP C[C@H]1C(=O)NCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000189272020 177058228 /nfs/dbraw/zinc/05/82/28/177058228.db2.gz WQVYGUZFBZJWHD-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@H]1C(=O)NCCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000189272020 177058229 /nfs/dbraw/zinc/05/82/29/177058229.db2.gz WQVYGUZFBZJWHD-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@H]1C(=O)NCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000189272020 177058231 /nfs/dbraw/zinc/05/82/31/177058231.db2.gz WQVYGUZFBZJWHD-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@H]1C(=O)NCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000189272020 177058233 /nfs/dbraw/zinc/05/82/33/177058233.db2.gz WQVYGUZFBZJWHD-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@H]1CC(=O)NCC[N@@H+]1CCn1cc[nH+]c1 ZINC000363460109 177062844 /nfs/dbraw/zinc/06/28/44/177062844.db2.gz WXWNXDFVDNTLKV-JTQLQIEISA-N 2 2 222.292 0.094 20 0 BCADLP C[C@H]1CC(=O)NCC[N@H+]1CCn1cc[nH+]c1 ZINC000363460109 177062845 /nfs/dbraw/zinc/06/28/45/177062845.db2.gz WXWNXDFVDNTLKV-JTQLQIEISA-N 2 2 222.292 0.094 20 0 BCADLP C[C@H]1CC[N@H+](CC2(C[NH3+])CC2)C[C@H]1C[NH3+] ZINC000331366509 177159315 /nfs/dbraw/zinc/15/93/15/177159315.db2.gz DFKSQRLSPBOTJQ-WDEREUQCSA-N 3 2 211.353 0.642 20 0 BCADLP C[C@H]1CC[N@@H+](CC2(C[NH3+])CC2)C[C@H]1C[NH3+] ZINC000331366509 177159317 /nfs/dbraw/zinc/15/93/17/177159317.db2.gz DFKSQRLSPBOTJQ-WDEREUQCSA-N 3 2 211.353 0.642 20 0 BCADLP C[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C[C@H]1O ZINC000299891372 177160264 /nfs/dbraw/zinc/16/02/64/177160264.db2.gz QACFGRSIMKXSIY-NWDGAFQWSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C[C@H]1O ZINC000299891372 177160265 /nfs/dbraw/zinc/16/02/65/177160265.db2.gz QACFGRSIMKXSIY-NWDGAFQWSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000261543050 177175804 /nfs/dbraw/zinc/17/58/04/177175804.db2.gz CRDXNZAZNMXESR-WDEREUQCSA-N 2 2 236.319 0.387 20 0 BCADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[NH2+]1 ZINC000083814225 177215314 /nfs/dbraw/zinc/21/53/14/177215314.db2.gz WOIXLCCKKGRVKF-JTQLQIEISA-N 2 2 222.292 0.094 20 0 BCADLP C[C@@H]1CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@H](C)[NH2+]1 ZINC000360820063 177222136 /nfs/dbraw/zinc/22/21/36/177222136.db2.gz VCJYKWBORGCENV-YIZRAAEISA-N 2 2 247.289 0.192 20 0 BCADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]([NH3+])c1ccccc1 ZINC000226402194 177233049 /nfs/dbraw/zinc/23/30/49/177233049.db2.gz MBVOUCDMELLELD-WCQYABFASA-N 2 2 247.342 0.849 20 0 BCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]([NH3+])c1ccccc1 ZINC000226402194 177233050 /nfs/dbraw/zinc/23/30/50/177233050.db2.gz MBVOUCDMELLELD-WCQYABFASA-N 2 2 247.342 0.849 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000336756264 177236110 /nfs/dbraw/zinc/23/61/10/177236110.db2.gz JGSUHVRTJJCUNK-QWRGUYRKSA-N 2 2 212.337 0.689 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000336756264 177236112 /nfs/dbraw/zinc/23/61/12/177236112.db2.gz JGSUHVRTJJCUNK-QWRGUYRKSA-N 2 2 212.337 0.689 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000336747875 177236652 /nfs/dbraw/zinc/23/66/52/177236652.db2.gz CVDGBTATGZQEFU-QWRGUYRKSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000336747875 177236653 /nfs/dbraw/zinc/23/66/53/177236653.db2.gz CVDGBTATGZQEFU-QWRGUYRKSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1cn[nH]c1 ZINC000336761888 177237034 /nfs/dbraw/zinc/23/70/34/177237034.db2.gz NTBXEVOAJGUEOJ-GXSJLCMTSA-N 2 2 208.309 0.492 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1cn[nH]c1 ZINC000336761888 177237035 /nfs/dbraw/zinc/23/70/35/177237035.db2.gz NTBXEVOAJGUEOJ-GXSJLCMTSA-N 2 2 208.309 0.492 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1cnccn1 ZINC000336751819 177237273 /nfs/dbraw/zinc/23/72/73/177237273.db2.gz COLLGRZYSYVKEA-CMPLNLGQSA-N 2 2 220.320 0.559 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1cnccn1 ZINC000336751819 177237275 /nfs/dbraw/zinc/23/72/75/177237275.db2.gz COLLGRZYSYVKEA-CMPLNLGQSA-N 2 2 220.320 0.559 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)CCO ZINC000309126219 177237770 /nfs/dbraw/zinc/23/77/70/177237770.db2.gz PRLUPHXOQIYNTL-WDEREUQCSA-N 2 2 214.353 0.935 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)CCO ZINC000309126219 177237771 /nfs/dbraw/zinc/23/77/71/177237771.db2.gz PRLUPHXOQIYNTL-WDEREUQCSA-N 2 2 214.353 0.935 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCOCC(F)F ZINC000336752857 177237949 /nfs/dbraw/zinc/23/79/49/177237949.db2.gz HINZXOVAOLIGMZ-DTWKUNHWSA-N 2 2 222.279 0.808 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCOCC(F)F ZINC000336752857 177237950 /nfs/dbraw/zinc/23/79/50/177237950.db2.gz HINZXOVAOLIGMZ-DTWKUNHWSA-N 2 2 222.279 0.808 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000309544241 177238969 /nfs/dbraw/zinc/23/89/69/177238969.db2.gz GMQNFUIJKKGHJK-HBNTYKKESA-N 2 2 223.324 0.206 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000309544241 177238971 /nfs/dbraw/zinc/23/89/71/177238971.db2.gz GMQNFUIJKKGHJK-HBNTYKKESA-N 2 2 223.324 0.206 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000309148911 177239831 /nfs/dbraw/zinc/23/98/31/177239831.db2.gz VYBWWGIRIFNOMA-GXSJLCMTSA-N 2 2 208.309 0.460 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000309148911 177239833 /nfs/dbraw/zinc/23/98/33/177239833.db2.gz VYBWWGIRIFNOMA-GXSJLCMTSA-N 2 2 208.309 0.460 20 0 BCADLP C[C@H]1C[N@@H+](C2CC[NH+](CCCO)CC2)CCO1 ZINC000303108620 177242736 /nfs/dbraw/zinc/24/27/36/177242736.db2.gz IFPLJHUFRWEAPC-LBPRGKRZSA-N 2 2 242.363 0.554 20 0 BCADLP C[C@H]1C[N@H+](C2CC[NH+](CCCO)CC2)CCO1 ZINC000303108620 177242739 /nfs/dbraw/zinc/24/27/39/177242739.db2.gz IFPLJHUFRWEAPC-LBPRGKRZSA-N 2 2 242.363 0.554 20 0 BCADLP C[C@H]1C[N@H+](CC(=O)N2CCCC2)CC[C@H]1[NH3+] ZINC000251645095 177244215 /nfs/dbraw/zinc/24/42/15/177244215.db2.gz GCDJRJSGWORBAR-WDEREUQCSA-N 2 2 225.336 0.278 20 0 BCADLP C[C@H]1C[N@@H+](CC(=O)N2CCCC2)CC[C@H]1[NH3+] ZINC000251645095 177244217 /nfs/dbraw/zinc/24/42/17/177244217.db2.gz GCDJRJSGWORBAR-WDEREUQCSA-N 2 2 225.336 0.278 20 0 BCADLP C[C@H]1CN(CC[NH+]2CCOCC2)C[C@H](C)[NH2+]1 ZINC000069629502 177251348 /nfs/dbraw/zinc/25/13/48/177251348.db2.gz ARTMIHJYZPBFDJ-RYUDHWBXSA-N 2 2 227.352 0.001 20 0 BCADLP C[C@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@H]1CO ZINC000362078198 177251782 /nfs/dbraw/zinc/25/17/82/177251782.db2.gz PWKNSFKPLTZCKM-RYUDHWBXSA-N 2 2 223.320 0.833 20 0 BCADLP C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@H]1CO ZINC000362078198 177251784 /nfs/dbraw/zinc/25/17/84/177251784.db2.gz PWKNSFKPLTZCKM-RYUDHWBXSA-N 2 2 223.320 0.833 20 0 BCADLP C[C@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000182614488 177251928 /nfs/dbraw/zinc/25/19/28/177251928.db2.gz GACVBCKHOKNFRO-NSHDSACASA-N 2 2 209.293 0.994 20 0 BCADLP C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000182614488 177251930 /nfs/dbraw/zinc/25/19/30/177251930.db2.gz GACVBCKHOKNFRO-NSHDSACASA-N 2 2 209.293 0.994 20 0 BCADLP C[C@H]1C[NH+](CCn2cc[nH+]c2)C[C@H](C)O1 ZINC000154288452 177256099 /nfs/dbraw/zinc/25/60/99/177256099.db2.gz MIQMRMAEMXTFDI-QWRGUYRKSA-N 2 2 209.293 0.992 20 0 BCADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)C[C@@H]1CO ZINC000362091223 177256740 /nfs/dbraw/zinc/25/67/40/177256740.db2.gz SIXJKWVKOIAUTO-WDEREUQCSA-N 2 2 209.293 0.443 20 0 BCADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@@H]1CO ZINC000362091223 177256741 /nfs/dbraw/zinc/25/67/41/177256741.db2.gz SIXJKWVKOIAUTO-WDEREUQCSA-N 2 2 209.293 0.443 20 0 BCADLP C[C@H]1CN(Cc2[nH+]ccn2C)CC[C@H]1[NH3+] ZINC000251541636 177272077 /nfs/dbraw/zinc/27/20/77/177272077.db2.gz AUJHLPGDVAHSDH-VHSXEESVSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@H]1C[N@H+](Cc2nccn2C)CC[C@H]1[NH3+] ZINC000251541636 177272079 /nfs/dbraw/zinc/27/20/79/177272079.db2.gz AUJHLPGDVAHSDH-VHSXEESVSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@H]1C[N@@H+](Cc2nccn2C)CC[C@H]1[NH3+] ZINC000251541636 177272081 /nfs/dbraw/zinc/27/20/81/177272081.db2.gz AUJHLPGDVAHSDH-VHSXEESVSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@H]1COCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336687601 177288452 /nfs/dbraw/zinc/28/84/52/177288452.db2.gz GNXLAQJPSNTOPU-DGCLKSJQSA-N 2 2 242.363 0.410 20 0 BCADLP C[C@H]1COCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336687601 177288453 /nfs/dbraw/zinc/28/84/53/177288453.db2.gz GNXLAQJPSNTOPU-DGCLKSJQSA-N 2 2 242.363 0.410 20 0 BCADLP C[C@H]1COCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336687601 177288454 /nfs/dbraw/zinc/28/84/54/177288454.db2.gz GNXLAQJPSNTOPU-DGCLKSJQSA-N 2 2 242.363 0.410 20 0 BCADLP C[C@H]1COCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336687601 177288455 /nfs/dbraw/zinc/28/84/55/177288455.db2.gz GNXLAQJPSNTOPU-DGCLKSJQSA-N 2 2 242.363 0.410 20 0 BCADLP C[C@H]1CSCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336671381 177305419 /nfs/dbraw/zinc/30/54/19/177305419.db2.gz SFQUDCHYOLAZBG-JQWIXIFHSA-N 2 2 244.404 0.879 20 0 BCADLP C[C@H]1CSCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336671381 177305422 /nfs/dbraw/zinc/30/54/22/177305422.db2.gz SFQUDCHYOLAZBG-JQWIXIFHSA-N 2 2 244.404 0.879 20 0 BCADLP C[C@H]1CSCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336671381 177305423 /nfs/dbraw/zinc/30/54/23/177305423.db2.gz SFQUDCHYOLAZBG-JQWIXIFHSA-N 2 2 244.404 0.879 20 0 BCADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nccn1C ZINC000126938037 177324557 /nfs/dbraw/zinc/32/45/57/177324557.db2.gz CTZAXYASLUJQIO-UWVGGRQHSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nccn1C ZINC000126938037 177324558 /nfs/dbraw/zinc/32/45/58/177324558.db2.gz CTZAXYASLUJQIO-UWVGGRQHSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nnnn1C1CC1 ZINC000131642934 177324584 /nfs/dbraw/zinc/32/45/84/177324584.db2.gz OTIUKEQCTVRRKN-IUCAKERBSA-N 2 2 236.323 0.177 20 0 BCADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nnnn1C1CC1 ZINC000131642934 177324586 /nfs/dbraw/zinc/32/45/86/177324586.db2.gz OTIUKEQCTVRRKN-IUCAKERBSA-N 2 2 236.323 0.177 20 0 BCADLP C[C@H]1C[C@H]([NH+](C)CC(=O)N(C)C)CC[N@@H+]1C ZINC000123806503 177364160 /nfs/dbraw/zinc/36/41/60/177364160.db2.gz CGZBCGRWAUWMHP-WDEREUQCSA-N 2 2 227.352 0.489 20 0 BCADLP C[C@H]1C[C@H]([NH+](C)CC(=O)N(C)C)CC[N@H+]1C ZINC000123806503 177364162 /nfs/dbraw/zinc/36/41/62/177364162.db2.gz CGZBCGRWAUWMHP-WDEREUQCSA-N 2 2 227.352 0.489 20 0 BCADLP C[C@H]1C[C@H]([N@H+](C)CC(=O)N(C)C)CC[NH+]1C ZINC000123806503 177364164 /nfs/dbraw/zinc/36/41/64/177364164.db2.gz CGZBCGRWAUWMHP-WDEREUQCSA-N 2 2 227.352 0.489 20 0 BCADLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)N(C)C)CC[NH+]1C ZINC000123806503 177364166 /nfs/dbraw/zinc/36/41/66/177364166.db2.gz CGZBCGRWAUWMHP-WDEREUQCSA-N 2 2 227.352 0.489 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCN2CCC2)C[N@@H+]1C1CC1 ZINC000336780589 177368886 /nfs/dbraw/zinc/36/88/86/177368886.db2.gz RSUALTQTBYHEHT-RYUDHWBXSA-N 2 2 223.364 0.907 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCN2CCC2)C[N@H+]1C1CC1 ZINC000336780589 177368887 /nfs/dbraw/zinc/36/88/87/177368887.db2.gz RSUALTQTBYHEHT-RYUDHWBXSA-N 2 2 223.364 0.907 20 0 BCADLP CCn1cnnc1CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000674882784 487643969 /nfs/dbraw/zinc/64/39/69/487643969.db2.gz YOPOZRNNBOGBQP-WDEREUQCSA-N 2 2 237.351 0.380 20 0 BCADLP CCn1cnnc1CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000674882784 487643977 /nfs/dbraw/zinc/64/39/77/487643977.db2.gz YOPOZRNNBOGBQP-WDEREUQCSA-N 2 2 237.351 0.380 20 0 BCADLP C[NH+](C)[C@H]1CCCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493075917 226119118 /nfs/dbraw/zinc/11/91/18/226119118.db2.gz WYIYVBJMOROOKS-QRGHLMKCSA-N 2 2 248.330 0.976 20 0 BCADLP C[NH+](C)CCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493232699 226162176 /nfs/dbraw/zinc/16/21/76/226162176.db2.gz ZKVGPZYKLSPFSE-SNAWJCMRSA-N 2 2 222.292 0.491 20 0 BCADLP O=C(/C=C\c1[nH]cc[nH+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000493485845 226229753 /nfs/dbraw/zinc/22/97/53/226229753.db2.gz CJSSKCLALDQUPW-BYCRGOAPSA-N 2 2 246.314 0.730 20 0 BCADLP C[NH+](C)CC(C)(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493578021 226244197 /nfs/dbraw/zinc/24/41/97/226244197.db2.gz FJEUKKQPCNPLLE-WAYWQWQTSA-N 2 2 236.319 0.879 20 0 BCADLP C[NH+](C)C/C=C\C(=O)N1CCn2c[nH+]cc2C1 ZINC000493782712 226253922 /nfs/dbraw/zinc/25/39/22/226253922.db2.gz FGQGDBJQOULIPP-ARJAWSKDSA-N 2 2 234.303 0.343 20 0 BCADLP CN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@@H]1CCC[N@H+](C)C1 ZINC000493793214 226254548 /nfs/dbraw/zinc/25/45/48/226254548.db2.gz QKYUQXOKUSYQJB-MVIFTORASA-N 2 2 248.330 0.976 20 0 BCADLP CN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@@H]1CCC[N@@H+](C)C1 ZINC000493793214 226254549 /nfs/dbraw/zinc/25/45/49/226254549.db2.gz QKYUQXOKUSYQJB-MVIFTORASA-N 2 2 248.330 0.976 20 0 BCADLP O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000493798134 226254699 /nfs/dbraw/zinc/25/46/99/226254699.db2.gz WCRHZAQQPIFIAJ-BQTOJVEASA-N 2 2 246.314 0.776 20 0 BCADLP C[C@@H]1C[C@H](O)C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000401671013 226361137 /nfs/dbraw/zinc/36/11/37/226361137.db2.gz VGNBTENSHZPZAI-WXHSDQCUSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1C[C@H](O)C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000401671013 226361138 /nfs/dbraw/zinc/36/11/38/226361138.db2.gz VGNBTENSHZPZAI-WXHSDQCUSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1C[C@H](O)C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000401671013 226361139 /nfs/dbraw/zinc/36/11/39/226361139.db2.gz VGNBTENSHZPZAI-WXHSDQCUSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1C[C@H](O)C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000401671013 226361140 /nfs/dbraw/zinc/36/11/40/226361140.db2.gz VGNBTENSHZPZAI-WXHSDQCUSA-N 2 2 242.363 0.144 20 0 BCADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000680827494 487652837 /nfs/dbraw/zinc/65/28/37/487652837.db2.gz ZOYDCSCNYXXSMD-BXKDBHETSA-N 2 2 238.335 0.435 20 0 BCADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000680827494 487652840 /nfs/dbraw/zinc/65/28/40/487652840.db2.gz ZOYDCSCNYXXSMD-BXKDBHETSA-N 2 2 238.335 0.435 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226034858 487653321 /nfs/dbraw/zinc/65/33/21/487653321.db2.gz VEAFSSJROXGEDX-SDDRHHMPSA-N 2 2 241.379 0.960 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226034858 487653323 /nfs/dbraw/zinc/65/33/23/487653323.db2.gz VEAFSSJROXGEDX-SDDRHHMPSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225891132 487653873 /nfs/dbraw/zinc/65/38/73/487653873.db2.gz HQQVIBJCJMPZPU-MXWKQRLJSA-N 2 2 225.336 0.324 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225891132 487653878 /nfs/dbraw/zinc/65/38/78/487653878.db2.gz HQQVIBJCJMPZPU-MXWKQRLJSA-N 2 2 225.336 0.324 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000226029716 487654384 /nfs/dbraw/zinc/65/43/84/487654384.db2.gz IJPKQJFANOKOGC-RYUDHWBXSA-N 2 2 241.379 0.962 20 0 BCADLP CCCCNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000226029716 487654386 /nfs/dbraw/zinc/65/43/86/487654386.db2.gz IJPKQJFANOKOGC-RYUDHWBXSA-N 2 2 241.379 0.962 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000314070580 487659172 /nfs/dbraw/zinc/65/91/72/487659172.db2.gz WUPCIOQIKOBSMX-LLVKDONJSA-N 3 2 222.336 0.776 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000314070580 487659178 /nfs/dbraw/zinc/65/91/78/487659178.db2.gz WUPCIOQIKOBSMX-LLVKDONJSA-N 3 2 222.336 0.776 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335767361 487665991 /nfs/dbraw/zinc/66/59/91/487665991.db2.gz LZULHVCTTUBZJP-LBPRGKRZSA-N 2 2 225.336 0.198 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335767361 487665995 /nfs/dbraw/zinc/66/59/95/487665995.db2.gz LZULHVCTTUBZJP-LBPRGKRZSA-N 2 2 225.336 0.198 20 0 BCADLP C[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653103482 487678728 /nfs/dbraw/zinc/67/87/28/487678728.db2.gz IUTDUOZIZIDKHE-MXWKQRLJSA-N 2 2 227.352 0.665 20 0 BCADLP CC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000088091283 487702054 /nfs/dbraw/zinc/70/20/54/487702054.db2.gz SLONXNPVFCONBZ-NEPJUHHUSA-N 2 2 210.321 0.992 20 0 BCADLP CC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000088091283 487702059 /nfs/dbraw/zinc/70/20/59/487702059.db2.gz SLONXNPVFCONBZ-NEPJUHHUSA-N 2 2 210.321 0.992 20 0 BCADLP CC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000088091283 487702066 /nfs/dbraw/zinc/70/20/66/487702066.db2.gz SLONXNPVFCONBZ-NEPJUHHUSA-N 2 2 210.321 0.992 20 0 BCADLP CC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000088091283 487702072 /nfs/dbraw/zinc/70/20/72/487702072.db2.gz SLONXNPVFCONBZ-NEPJUHHUSA-N 2 2 210.321 0.992 20 0 BCADLP CC1(C)C[NH2+]CCN1C(=O)CCn1cc[nH+]c1 ZINC000088138847 487705777 /nfs/dbraw/zinc/70/57/77/487705777.db2.gz UXORJEXFZYUZGV-UHFFFAOYSA-N 2 2 236.319 0.484 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)C1([NH+](C)C)CC1 ZINC000668419793 487722118 /nfs/dbraw/zinc/72/21/18/487722118.db2.gz MDYJYPHFCYSUQG-UHFFFAOYSA-N 2 2 219.288 0.845 20 0 BCADLP CC[N@H+](C[C@@H]1CCCO1)C[C@H]1C[NH2+]CCO1 ZINC000249825947 487724558 /nfs/dbraw/zinc/72/45/58/487724558.db2.gz NEYZOPKYPVYAFT-NWDGAFQWSA-N 2 2 228.336 0.476 20 0 BCADLP CC[N@@H+](C[C@@H]1CCCO1)C[C@H]1C[NH2+]CCO1 ZINC000249825947 487724562 /nfs/dbraw/zinc/72/45/62/487724562.db2.gz NEYZOPKYPVYAFT-NWDGAFQWSA-N 2 2 228.336 0.476 20 0 BCADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@@H]1CCO ZINC000903929638 584824589 /nfs/dbraw/zinc/82/45/89/584824589.db2.gz IIOXIJOQCILLRP-DTWKUNHWSA-N 2 2 222.279 0.816 20 0 BCADLP CC(C)([NH3+])CC(=O)NCCCn1cc[nH+]c1 ZINC000082771682 487728679 /nfs/dbraw/zinc/72/86/79/487728679.db2.gz CCXKSAYVUWKWNU-UHFFFAOYSA-N 2 2 224.308 0.517 20 0 BCADLP Cc1ccc(CCC[NH2+][C@H]2CCNC2=O)c[nH+]1 ZINC000668424944 487731499 /nfs/dbraw/zinc/73/14/99/487731499.db2.gz CKCKDDYFZLUVIW-LBPRGKRZSA-N 2 2 233.315 0.801 20 0 BCADLP CCOCC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000250383801 487732229 /nfs/dbraw/zinc/73/22/29/487732229.db2.gz JIYXXBVAMRZGLE-VHSXEESVSA-N 2 2 202.298 0.071 20 0 BCADLP CCOCC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000250383801 487732233 /nfs/dbraw/zinc/73/22/33/487732233.db2.gz JIYXXBVAMRZGLE-VHSXEESVSA-N 2 2 202.298 0.071 20 0 BCADLP C[NH+](C)C1CN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665709378 487736311 /nfs/dbraw/zinc/73/63/11/487736311.db2.gz QSVOWVZONLXCLY-UHFFFAOYSA-N 2 2 235.291 0.031 20 0 BCADLP COC[C@H](C)[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000226434245 487744070 /nfs/dbraw/zinc/74/40/70/487744070.db2.gz PJDHEXKXMXOFSY-IVZWLZJFSA-N 2 2 202.298 0.069 20 0 BCADLP COC[C@H](C)[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000226434245 487744078 /nfs/dbraw/zinc/74/40/78/487744078.db2.gz PJDHEXKXMXOFSY-IVZWLZJFSA-N 2 2 202.298 0.069 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000082922125 487754201 /nfs/dbraw/zinc/75/42/01/487754201.db2.gz OEUQNUOARSGMBB-BDAKNGLRSA-N 2 2 222.292 0.496 20 0 BCADLP COC[C@](C)(CO)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000679118204 487767092 /nfs/dbraw/zinc/76/70/92/487767092.db2.gz UDACEXJLMURESU-ZDUSSCGKSA-N 2 2 249.314 0.821 20 0 BCADLP CC[C@H]1C[N@@H+](Cc2nccn2C)CC[C@H]1[NH3+] ZINC000251572762 487771137 /nfs/dbraw/zinc/77/11/37/487771137.db2.gz BYENLLBQTHDVJA-WDEREUQCSA-N 2 2 222.336 0.979 20 0 BCADLP CC[C@H]1CN(Cc2[nH+]ccn2C)CC[C@H]1[NH3+] ZINC000251572762 487771140 /nfs/dbraw/zinc/77/11/40/487771140.db2.gz BYENLLBQTHDVJA-WDEREUQCSA-N 2 2 222.336 0.979 20 0 BCADLP CC[C@H]1C[N@H+](Cc2nccn2C)CC[C@H]1[NH3+] ZINC000251572762 487771133 /nfs/dbraw/zinc/77/11/33/487771133.db2.gz BYENLLBQTHDVJA-WDEREUQCSA-N 2 2 222.336 0.979 20 0 BCADLP C[C@@H](C(=O)NCCc1c[nH+]cn1C)[NH+](C)C ZINC000681343529 487780914 /nfs/dbraw/zinc/78/09/14/487780914.db2.gz SISUOMLSMUWSOQ-VIFPVBQESA-N 2 2 224.308 0.029 20 0 BCADLP COc1cncc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000675895433 487788875 /nfs/dbraw/zinc/78/88/75/487788875.db2.gz ISQQSFZVLGIIOE-VXGBXAGGSA-N 2 2 233.315 0.741 20 0 BCADLP CC[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)CC[C@H]1[NH3+] ZINC000251780305 487796758 /nfs/dbraw/zinc/79/67/58/487796758.db2.gz MZZZNLJJMBLRGG-GHMZBOCLSA-N 2 2 241.379 0.960 20 0 BCADLP CC[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)CC[C@H]1[NH3+] ZINC000251780305 487796764 /nfs/dbraw/zinc/79/67/64/487796764.db2.gz MZZZNLJJMBLRGG-GHMZBOCLSA-N 2 2 241.379 0.960 20 0 BCADLP CC[C@@H]1C[N@H+](CC(=O)NCC2CC2)CC[C@H]1[NH3+] ZINC000251812025 487799725 /nfs/dbraw/zinc/79/97/25/487799725.db2.gz OQYDMFKTLGVYSH-VXGBXAGGSA-N 2 2 239.363 0.572 20 0 BCADLP CC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)CC[C@H]1[NH3+] ZINC000251812025 487799726 /nfs/dbraw/zinc/79/97/26/487799726.db2.gz OQYDMFKTLGVYSH-VXGBXAGGSA-N 2 2 239.363 0.572 20 0 BCADLP CO[C@H](C)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000223952554 487806488 /nfs/dbraw/zinc/80/64/88/487806488.db2.gz LYTFZAUGFMREEX-GMTAPVOTSA-N 2 2 216.325 0.378 20 0 BCADLP c1cn(CC[N@@H+]2CC[C@H](n3cncn3)C2)c[nH+]1 ZINC000681602832 487821215 /nfs/dbraw/zinc/82/12/15/487821215.db2.gz FBUXANBQFQUQMZ-NSHDSACASA-N 2 2 232.291 0.422 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CC[C@H]2CCCO2)CCO1 ZINC000252690532 487828649 /nfs/dbraw/zinc/82/86/49/487828649.db2.gz VGUNDRFNMZUTFS-TUAOUCFPSA-N 2 2 228.336 0.604 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC[C@H]2CCCO2)CCO1 ZINC000252690532 487828653 /nfs/dbraw/zinc/82/86/53/487828653.db2.gz VGUNDRFNMZUTFS-TUAOUCFPSA-N 2 2 228.336 0.604 20 0 BCADLP c1nc2cnccn2c1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666769146 487875772 /nfs/dbraw/zinc/87/57/72/487875772.db2.gz UICAEANPGOTCLY-NSHDSACASA-N 2 2 245.330 0.961 20 0 BCADLP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000666770741 487877112 /nfs/dbraw/zinc/87/71/12/487877112.db2.gz UKGVRBAAEWPFDI-VXGBXAGGSA-N 3 2 211.353 0.860 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCCNC(=O)C1 ZINC000130406053 487878962 /nfs/dbraw/zinc/87/89/62/487878962.db2.gz CVJLGNVKMXOJIV-UWVGGRQHSA-N 2 2 213.325 0.195 20 0 BCADLP CCc1nn(C)cc1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000666834275 487888400 /nfs/dbraw/zinc/88/84/00/487888400.db2.gz RXNYJWZBBRXHSN-LLVKDONJSA-N 2 2 222.336 0.809 20 0 BCADLP C[C@H](C[NH3+])[NH2+]Cc1cn2cccc(F)c2n1 ZINC000666867835 487891094 /nfs/dbraw/zinc/89/10/94/487891094.db2.gz NFHFBTYIILMKSO-MRVPVSSYSA-N 2 2 222.267 0.910 20 0 BCADLP CCOC[C@H](O)C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000676702323 487895834 /nfs/dbraw/zinc/89/58/34/487895834.db2.gz SNAPGLNVRJJTTH-QWHCGFSZSA-N 2 2 244.379 0.846 20 0 BCADLP CCOC[C@H](O)C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000676702323 487895838 /nfs/dbraw/zinc/89/58/38/487895838.db2.gz SNAPGLNVRJJTTH-QWHCGFSZSA-N 2 2 244.379 0.846 20 0 BCADLP Cc1ccc(O)c(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)n1 ZINC000666945449 487910106 /nfs/dbraw/zinc/91/01/06/487910106.db2.gz QSMSIQWKFIZKGC-UWVGGRQHSA-N 2 2 239.294 0.885 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000080530855 487912315 /nfs/dbraw/zinc/91/23/15/487912315.db2.gz BJKTWDVGTWQKLM-LBPRGKRZSA-N 2 2 236.319 0.758 20 0 BCADLP C[C@@H]([NH3+])CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000194862308 487920713 /nfs/dbraw/zinc/92/07/13/487920713.db2.gz RTOINRLESNMZJQ-SECBINFHSA-N 2 2 232.287 0.340 20 0 BCADLP CN(CCCC[NH+](C)C)C(=O)Cn1cc[nH+]c1 ZINC000673840626 487920892 /nfs/dbraw/zinc/92/08/92/487920892.db2.gz KDXRODKTMAUEGA-UHFFFAOYSA-N 2 2 238.335 0.683 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000652335980 487924455 /nfs/dbraw/zinc/92/44/55/487924455.db2.gz WYZOQZILYUAIFC-NEPJUHHUSA-N 3 2 231.384 0.262 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000652335980 487924462 /nfs/dbraw/zinc/92/44/62/487924462.db2.gz WYZOQZILYUAIFC-NEPJUHHUSA-N 3 2 231.384 0.262 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000652335981 487924937 /nfs/dbraw/zinc/92/49/37/487924937.db2.gz WYZOQZILYUAIFC-NWDGAFQWSA-N 3 2 231.384 0.262 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000652335981 487924941 /nfs/dbraw/zinc/92/49/41/487924941.db2.gz WYZOQZILYUAIFC-NWDGAFQWSA-N 3 2 231.384 0.262 20 0 BCADLP CN(CC[NH3+])C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653163695 487932594 /nfs/dbraw/zinc/93/25/94/487932594.db2.gz ONFURCPHCQHVQP-UHFFFAOYSA-N 2 2 236.319 0.179 20 0 BCADLP c1cn(-c2cc(NCC[NH+]3CCC3)ncn2)c[nH+]1 ZINC000676880213 487941335 /nfs/dbraw/zinc/94/13/35/487941335.db2.gz JIRLZKSMUXJUEO-UHFFFAOYSA-N 2 2 244.302 0.780 20 0 BCADLP C[C@@H]([NH3+])CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000667120578 487941360 /nfs/dbraw/zinc/94/13/60/487941360.db2.gz QBXBCVSPUQNRJH-MRVPVSSYSA-N 2 2 233.275 0.803 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCN(C)C2=O)n1C ZINC000569746085 323039657 /nfs/dbraw/zinc/03/96/57/323039657.db2.gz XPKHHJIVAKBOMM-NSHDSACASA-N 2 2 236.319 0.439 20 0 BCADLP CC(=O)NCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000569950361 323045573 /nfs/dbraw/zinc/04/55/73/323045573.db2.gz BSRNJBDCSMRFPE-UHFFFAOYSA-N 2 2 224.308 0.341 20 0 BCADLP CC(=O)NCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000569950361 323045574 /nfs/dbraw/zinc/04/55/74/323045574.db2.gz BSRNJBDCSMRFPE-UHFFFAOYSA-N 2 2 224.308 0.341 20 0 BCADLP Cc1cc(CN2CC[NH+](CCC[NH3+])CC2)no1 ZINC000570335355 323056823 /nfs/dbraw/zinc/05/68/23/323056823.db2.gz AKDAGYZUIHCWKC-UHFFFAOYSA-N 2 2 238.335 0.449 20 0 BCADLP CN(C)c1nccc(C[NH2+]CCC[NH+]2CCC2)n1 ZINC000570695779 323067636 /nfs/dbraw/zinc/06/76/36/323067636.db2.gz AXVNZQRUXQHKBH-UHFFFAOYSA-N 2 2 249.362 0.728 20 0 BCADLP C[C@H](CC(=O)N1CC[NH2+]C[C@H]1C)n1cc[nH+]c1 ZINC000570733115 323068765 /nfs/dbraw/zinc/06/87/65/323068765.db2.gz ARLHANYFGJVNGA-GHMZBOCLSA-N 2 2 236.319 0.655 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]1COC ZINC000570812620 323071221 /nfs/dbraw/zinc/07/12/21/323071221.db2.gz FKHRBDSDJHRTOK-MNOVXSKESA-N 2 2 216.325 0.020 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]1COC ZINC000570812620 323071222 /nfs/dbraw/zinc/07/12/22/323071222.db2.gz FKHRBDSDJHRTOK-MNOVXSKESA-N 2 2 216.325 0.020 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]1COC ZINC000570812620 323071223 /nfs/dbraw/zinc/07/12/23/323071223.db2.gz FKHRBDSDJHRTOK-MNOVXSKESA-N 2 2 216.325 0.020 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(F)C1 ZINC000572659709 323072794 /nfs/dbraw/zinc/07/27/94/323072794.db2.gz NWSIMJGKJXQGCQ-WDEREUQCSA-N 2 2 218.316 0.733 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(F)C1 ZINC000572659709 323072795 /nfs/dbraw/zinc/07/27/95/323072795.db2.gz NWSIMJGKJXQGCQ-WDEREUQCSA-N 2 2 218.316 0.733 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000572659709 323072796 /nfs/dbraw/zinc/07/27/96/323072796.db2.gz NWSIMJGKJXQGCQ-WDEREUQCSA-N 2 2 218.316 0.733 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000572659709 323072797 /nfs/dbraw/zinc/07/27/97/323072797.db2.gz NWSIMJGKJXQGCQ-WDEREUQCSA-N 2 2 218.316 0.733 20 0 BCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000563134996 323094702 /nfs/dbraw/zinc/09/47/02/323094702.db2.gz BTEGPBNVMUNEDC-MRVPVSSYSA-N 2 2 222.354 0.137 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCOC[C@H]1CCCO1 ZINC000563153281 323095963 /nfs/dbraw/zinc/09/59/63/323095963.db2.gz HWNCIXWGGNXQQO-QWHCGFSZSA-N 2 2 242.363 0.995 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@H+]1CCOC[C@H]1CCCO1 ZINC000563153281 323095964 /nfs/dbraw/zinc/09/59/64/323095964.db2.gz HWNCIXWGGNXQQO-QWHCGFSZSA-N 2 2 242.363 0.995 20 0 BCADLP Cc1cccn2cc(CC(=O)NCCC[NH3+])[nH+]c12 ZINC000563201019 323101474 /nfs/dbraw/zinc/10/14/74/323101474.db2.gz HHVYMRCFSCVPRK-UHFFFAOYSA-N 2 2 246.314 0.650 20 0 BCADLP C[C@H]([NH3+])[C@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000570959345 323101657 /nfs/dbraw/zinc/10/16/57/323101657.db2.gz CFLJEFLCJNUDTO-BQBZGAKWSA-N 2 2 209.249 0.131 20 0 BCADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000401651731 323105160 /nfs/dbraw/zinc/10/51/60/323105160.db2.gz QIIMSLKCPGIWID-AAEUAGOBSA-N 3 2 236.363 0.892 20 0 BCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000401651731 323105161 /nfs/dbraw/zinc/10/51/61/323105161.db2.gz QIIMSLKCPGIWID-AAEUAGOBSA-N 3 2 236.363 0.892 20 0 BCADLP C[C@@H](CC(=O)NCc1[nH]cc[nH+]1)n1cc[nH+]c1 ZINC000563244352 323106588 /nfs/dbraw/zinc/10/65/88/323106588.db2.gz XIKWNSHRTFYMEO-VIFPVBQESA-N 2 2 233.275 0.874 20 0 BCADLP COC[C@](C)(O)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000531711678 323112068 /nfs/dbraw/zinc/11/20/68/323112068.db2.gz XYHTVZIJRMALKR-WCFLWFBJSA-N 2 2 242.363 0.456 20 0 BCADLP COC[C@](C)(O)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000531711678 323112069 /nfs/dbraw/zinc/11/20/69/323112069.db2.gz XYHTVZIJRMALKR-WCFLWFBJSA-N 2 2 242.363 0.456 20 0 BCADLP COC[C@](C)(O)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000531711674 323112112 /nfs/dbraw/zinc/11/21/12/323112112.db2.gz XYHTVZIJRMALKR-CYZMBNFOSA-N 2 2 242.363 0.456 20 0 BCADLP Cc1ncncc1[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000563417144 323123681 /nfs/dbraw/zinc/12/36/81/323123681.db2.gz ISTDRZPLRXVQIK-KOLCDFICSA-N 2 2 238.335 0.358 20 0 BCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H](C)O ZINC000571198718 323137975 /nfs/dbraw/zinc/13/79/75/323137975.db2.gz WJHFYIFCGJCIHJ-GRYCIOLGSA-N 2 2 230.352 0.456 20 0 BCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H](C)O ZINC000571198718 323137976 /nfs/dbraw/zinc/13/79/76/323137976.db2.gz WJHFYIFCGJCIHJ-GRYCIOLGSA-N 2 2 230.352 0.456 20 0 BCADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@@H]2CCOC2)CC1 ZINC000571460116 323145233 /nfs/dbraw/zinc/14/52/33/323145233.db2.gz LVQDFQJOLVJYAQ-GFCCVEGCSA-N 2 2 242.363 0.600 20 0 BCADLP Cc1[nH]c(C(=O)NCCNc2cc[nH+]cc2)c[nH+]1 ZINC000534525313 323153121 /nfs/dbraw/zinc/15/31/21/323153121.db2.gz KNKISOWDUCKBDD-UHFFFAOYSA-N 2 2 245.286 0.377 20 0 BCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000154426783 323195888 /nfs/dbraw/zinc/19/58/88/323195888.db2.gz VDXPVNZOYGRDHK-LLVKDONJSA-N 2 2 225.336 0.245 20 0 BCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000154426783 323195889 /nfs/dbraw/zinc/19/58/89/323195889.db2.gz VDXPVNZOYGRDHK-LLVKDONJSA-N 2 2 225.336 0.245 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530216869 323217303 /nfs/dbraw/zinc/21/73/03/323217303.db2.gz QSIBBZCXLBPGDW-QJPTWQEYSA-N 3 2 223.364 0.988 20 0 BCADLP CC[C@H](C(=O)N1CC[NH+](C2CC2)CC1)[NH+](C)C ZINC000152467169 323332756 /nfs/dbraw/zinc/33/27/56/323332756.db2.gz LRKMCNIZDAYQEK-GFCCVEGCSA-N 2 2 239.363 0.633 20 0 BCADLP CC(C)OCC[C@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000571994723 323519371 /nfs/dbraw/zinc/51/93/71/323519371.db2.gz XUWMPIZPWMIQLT-LBPRGKRZSA-N 2 2 241.335 0.649 20 0 BCADLP C[C@@H](C(=O)N[C@@H]1CCc2c[nH+]cn2C1)[NH+](C)C ZINC000672146703 487961797 /nfs/dbraw/zinc/96/17/97/487961797.db2.gz AWRSGFDDHWBGTJ-VHSXEESVSA-N 2 2 236.319 0.264 20 0 BCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH+](C)C ZINC000564236089 324920834 /nfs/dbraw/zinc/92/08/34/324920834.db2.gz COAVCGCBPBBTPA-SNVBAGLBSA-N 2 2 238.335 0.277 20 0 BCADLP CCOC(=O)[C@H]1CCC[N@@H+]1CCC[NH3+] ZINC000071048529 325051875 /nfs/dbraw/zinc/05/18/75/325051875.db2.gz PYFCITTXAPSCEF-SECBINFHSA-N 2 2 200.282 0.363 20 0 BCADLP CCOC(=O)[C@H]1CCC[N@H+]1CCC[NH3+] ZINC000071048529 325051878 /nfs/dbraw/zinc/05/18/78/325051878.db2.gz PYFCITTXAPSCEF-SECBINFHSA-N 2 2 200.282 0.363 20 0 BCADLP CCn1ncnc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130886602 325099686 /nfs/dbraw/zinc/09/96/86/325099686.db2.gz PWHPVTCKANXMTJ-TUAOUCFPSA-N 2 2 249.362 0.857 20 0 BCADLP CCn1ncnc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130886602 325099690 /nfs/dbraw/zinc/09/96/90/325099690.db2.gz PWHPVTCKANXMTJ-TUAOUCFPSA-N 2 2 249.362 0.857 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC000072859515 325178742 /nfs/dbraw/zinc/17/87/42/325178742.db2.gz HPJGRALYUCVBJG-VXGBXAGGSA-N 2 2 239.363 0.491 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC000072859515 325178744 /nfs/dbraw/zinc/17/87/44/325178744.db2.gz HPJGRALYUCVBJG-VXGBXAGGSA-N 2 2 239.363 0.491 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000072859515 325178746 /nfs/dbraw/zinc/17/87/46/325178746.db2.gz HPJGRALYUCVBJG-VXGBXAGGSA-N 2 2 239.363 0.491 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000072859515 325178748 /nfs/dbraw/zinc/17/87/48/325178748.db2.gz HPJGRALYUCVBJG-VXGBXAGGSA-N 2 2 239.363 0.491 20 0 BCADLP C[NH+](C)CCn1ccc(NCc2[nH]cc[nH+]2)n1 ZINC000131928518 325190990 /nfs/dbraw/zinc/19/09/90/325190990.db2.gz SPKMCZHPSVIRDM-UHFFFAOYSA-N 2 2 234.307 0.780 20 0 BCADLP [NH3+]Cc1noc([C@@H]([NH3+])Cc2ccccc2)n1 ZINC000564328010 325383742 /nfs/dbraw/zinc/38/37/42/325383742.db2.gz IGNGKOMTCPIVHX-VIFPVBQESA-N 2 2 218.260 0.771 20 0 BCADLP O[C@@H]1COC[C@H]1[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000550678757 325537242 /nfs/dbraw/zinc/53/72/42/325537242.db2.gz ROVZBKRVOZISBQ-VXGBXAGGSA-N 2 2 237.303 0.280 20 0 BCADLP CCOC[C@H](C)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000252953588 325701388 /nfs/dbraw/zinc/70/13/88/325701388.db2.gz GVIYNMUVACIDAX-SRVKXCTJSA-N 2 2 230.352 0.768 20 0 BCADLP Cc1cc(NC(=O)N[C@H](C)[C@@H](C)[NH3+])c(C)c[nH+]1 ZINC000667301896 487969433 /nfs/dbraw/zinc/96/94/33/487969433.db2.gz GGSMVHZUDBOQIV-NXEZZACHSA-N 2 2 236.319 0.978 20 0 BCADLP C[C@H](C[NH3+])CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000564664543 325802487 /nfs/dbraw/zinc/80/24/87/325802487.db2.gz UTPHIUBXEOZATB-ZJUUUORDSA-N 2 2 224.308 0.545 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000564678262 325802756 /nfs/dbraw/zinc/80/27/56/325802756.db2.gz OKDHRVKAEGLZLX-NSHDSACASA-N 2 2 238.335 0.778 20 0 BCADLP CO[C@@H]1COC[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000566009124 325983347 /nfs/dbraw/zinc/98/33/47/325983347.db2.gz CQWFQOYPYDEEMM-VXGBXAGGSA-N 2 2 247.298 0.838 20 0 BCADLP C[C@H](C[NH3+])NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000566206868 326013185 /nfs/dbraw/zinc/01/31/85/326013185.db2.gz ZHVZVKGHICLEIE-SECBINFHSA-N 2 2 245.286 0.344 20 0 BCADLP CC[NH+]1CCC([NH2+][C@@H]2COC[C@H]2OC)CC1 ZINC000566221358 326017286 /nfs/dbraw/zinc/01/72/86/326017286.db2.gz ODGARNBCCJNMBP-VXGBXAGGSA-N 2 2 228.336 0.474 20 0 BCADLP C[N@H+](C[C@@H]1CCCS(=O)(=O)C1)C1CC([NH3+])C1 ZINC000566245038 326022862 /nfs/dbraw/zinc/02/28/62/326022862.db2.gz YINONWCNTJGDMF-WHXUTIOJSA-N 2 2 246.376 0.233 20 0 BCADLP C[N@@H+](C[C@@H]1CCCS(=O)(=O)C1)C1CC([NH3+])C1 ZINC000566245038 326022863 /nfs/dbraw/zinc/02/28/63/326022863.db2.gz YINONWCNTJGDMF-WHXUTIOJSA-N 2 2 246.376 0.233 20 0 BCADLP C[N@@H+]1CCN(Cc2[nH]cc[nH+]2)CC1(C)C ZINC000566415944 326042710 /nfs/dbraw/zinc/04/27/10/326042710.db2.gz GUHMTZFYFVOPJV-UHFFFAOYSA-N 2 2 208.309 0.936 20 0 BCADLP C[N@H+]1CCN(Cc2[nH]cc[nH+]2)CC1(C)C ZINC000566415944 326042711 /nfs/dbraw/zinc/04/27/11/326042711.db2.gz GUHMTZFYFVOPJV-UHFFFAOYSA-N 2 2 208.309 0.936 20 0 BCADLP C[NH2+]CCCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000566785493 326082033 /nfs/dbraw/zinc/08/20/33/326082033.db2.gz QJCUBCDLRFWRFP-UHFFFAOYSA-N 2 2 236.319 0.851 20 0 BCADLP [NH3+][C@H]1CC[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000309588852 326160815 /nfs/dbraw/zinc/16/08/15/326160815.db2.gz XTXZORWVZJICRM-WDEREUQCSA-N 2 2 214.309 0.215 20 0 BCADLP [NH3+][C@H]1CC[N@@H+](CCOC[C@H]2CCCO2)C1 ZINC000309588852 326160818 /nfs/dbraw/zinc/16/08/18/326160818.db2.gz XTXZORWVZJICRM-WDEREUQCSA-N 2 2 214.309 0.215 20 0 BCADLP NC(=O)CC[NH2+]CCCNc1cccc[nH+]1 ZINC000567691271 326246083 /nfs/dbraw/zinc/24/60/83/326246083.db2.gz SZYKBBNKXOFINH-UHFFFAOYSA-N 2 2 222.292 0.349 20 0 BCADLP CNC(=O)c1cccc(C[NH2+]CC(C)(C)[NH3+])c1 ZINC000567870820 326273780 /nfs/dbraw/zinc/27/37/80/326273780.db2.gz PFDKKAANKIJYQZ-UHFFFAOYSA-N 2 2 235.331 0.873 20 0 BCADLP CCC[NH2+][C@H](C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000567913735 326282479 /nfs/dbraw/zinc/28/24/79/326282479.db2.gz NZIKSFNHKGREMN-SNVBAGLBSA-N 2 2 238.335 0.767 20 0 BCADLP Cc1nn(C)c2ncc(C[NH2+][C@H]3CC[NH2+]C3)cc12 ZINC000567916143 326283459 /nfs/dbraw/zinc/28/34/59/326283459.db2.gz LCYQKPGESBCKBJ-NSHDSACASA-N 2 2 245.330 0.728 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)CC1(C[NH3+])CC1 ZINC000567983137 326291371 /nfs/dbraw/zinc/29/13/71/326291371.db2.gz RSIIUVHTDUSCOI-UHFFFAOYSA-N 2 2 222.292 0.463 20 0 BCADLP C[C@H](C[NH2+][C@@H](C)[C@H](C)O)C[NH+]1CCOCC1 ZINC000568078026 326304005 /nfs/dbraw/zinc/30/40/05/326304005.db2.gz BZZKCTQQVWPXFC-WOPDTQHZSA-N 2 2 230.352 0.314 20 0 BCADLP Cn1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000568088979 326306546 /nfs/dbraw/zinc/30/65/46/326306546.db2.gz BPGZMOISXUJVRG-CYBMUJFWSA-N 2 2 234.347 0.996 20 0 BCADLP Cn1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000568088979 326306548 /nfs/dbraw/zinc/30/65/48/326306548.db2.gz BPGZMOISXUJVRG-CYBMUJFWSA-N 2 2 234.347 0.996 20 0 BCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000568211876 326326976 /nfs/dbraw/zinc/32/69/76/326326976.db2.gz MBPNFQRNTNFSAN-UWVGGRQHSA-N 2 2 238.335 0.655 20 0 BCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000568211876 326326979 /nfs/dbraw/zinc/32/69/79/326326979.db2.gz MBPNFQRNTNFSAN-UWVGGRQHSA-N 2 2 238.335 0.655 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCC[S@@](C)=O)n1C ZINC000568273044 326339272 /nfs/dbraw/zinc/33/92/72/326339272.db2.gz ICBWNXQXUMFMGT-OAHLLOKOSA-N 2 2 229.349 0.587 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@H](O)C(C)C)n1C ZINC000568273205 326339426 /nfs/dbraw/zinc/33/94/26/326339426.db2.gz MSOHOJQSWCHCNH-NSHDSACASA-N 2 2 211.309 0.835 20 0 BCADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](C)O ZINC000568503270 326360613 /nfs/dbraw/zinc/36/06/13/326360613.db2.gz LCCZZTAUMROOBQ-QWRGUYRKSA-N 2 2 200.326 0.831 20 0 BCADLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](C)O ZINC000568503270 326360615 /nfs/dbraw/zinc/36/06/15/326360615.db2.gz LCCZZTAUMROOBQ-QWRGUYRKSA-N 2 2 200.326 0.831 20 0 BCADLP CCn1nnc(C)c1C[NH2+]CCC[NH+]1CCC1 ZINC000568663333 326372055 /nfs/dbraw/zinc/37/20/55/326372055.db2.gz ZNSSPMYRKFQRRP-UHFFFAOYSA-N 2 2 237.351 0.792 20 0 BCADLP CCC[NH2+]CCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000569004062 326386437 /nfs/dbraw/zinc/38/64/37/326386437.db2.gz XPNYHRZINVEIRX-UHFFFAOYSA-N 2 2 239.323 0.551 20 0 BCADLP CCC[NH2+]CCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000569004062 326386439 /nfs/dbraw/zinc/38/64/39/326386439.db2.gz XPNYHRZINVEIRX-UHFFFAOYSA-N 2 2 239.323 0.551 20 0 BCADLP Cn1ccnc1C[NH2+]CCC[NH+]1CCC1 ZINC000569138645 326392657 /nfs/dbraw/zinc/39/26/57/326392657.db2.gz POGBILHQGQWUNP-UHFFFAOYSA-N 2 2 208.309 0.606 20 0 BCADLP C[C@@H](C(=O)NCCc1[nH]cc[nH+]1)[NH+]1CC(C)C1 ZINC000569234947 326396551 /nfs/dbraw/zinc/39/65/51/326396551.db2.gz CXGKWIVVVMCVBQ-JTQLQIEISA-N 2 2 236.319 0.409 20 0 BCADLP CCC[C@@H](CC)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000050404794 487974886 /nfs/dbraw/zinc/97/48/86/487974886.db2.gz DWVJQWDBMGIFKX-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ncnn2C)C1 ZINC000083970649 487976645 /nfs/dbraw/zinc/97/66/45/487976645.db2.gz PZFSFLXAJZSMFA-JTQLQIEISA-N 2 2 223.324 0.247 20 0 BCADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ncnn2C)C1 ZINC000083970649 487976648 /nfs/dbraw/zinc/97/66/48/487976648.db2.gz PZFSFLXAJZSMFA-JTQLQIEISA-N 2 2 223.324 0.247 20 0 BCADLP CCn1ncnc1C[NH2+]CCn1cc[nH+]c1 ZINC000083977815 487978873 /nfs/dbraw/zinc/97/88/73/487978873.db2.gz SMBZOAAOBPNATP-UHFFFAOYSA-N 2 2 220.280 0.284 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000134866499 488003217 /nfs/dbraw/zinc/00/32/17/488003217.db2.gz HUFVFYDARYJDPP-MRVPVSSYSA-N 2 2 249.318 0.716 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000147442140 488023450 /nfs/dbraw/zinc/02/34/50/488023450.db2.gz BGCHTDGFVWDEPS-ZJUUUORDSA-N 2 2 213.325 0.182 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000147442140 488023452 /nfs/dbraw/zinc/02/34/52/488023452.db2.gz BGCHTDGFVWDEPS-ZJUUUORDSA-N 2 2 213.325 0.182 20 0 BCADLP CCc1nn(C)cc1C[NH2+][C@H](C)C[NH2+]C ZINC000227549027 488028790 /nfs/dbraw/zinc/02/87/90/488028790.db2.gz IWCOKGODGHPUMV-SECBINFHSA-N 2 2 210.325 0.680 20 0 BCADLP O[C@@H](C[NH2+]Cc1ccncn1)C[NH+]1CCCC1 ZINC000236518488 488067783 /nfs/dbraw/zinc/06/77/83/488067783.db2.gz ZRTBWAQZDCXYBG-LBPRGKRZSA-N 2 2 236.319 0.023 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000515174463 488071540 /nfs/dbraw/zinc/07/15/40/488071540.db2.gz JIAYQAPTJXYZFS-OLZOCXBDSA-N 3 2 241.379 0.032 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000515174463 488071545 /nfs/dbraw/zinc/07/15/45/488071545.db2.gz JIAYQAPTJXYZFS-OLZOCXBDSA-N 3 2 241.379 0.032 20 0 BCADLP Cc1cc(CO)cc(N(C)CC[NH+](C)C)[nH+]1 ZINC000166425469 488082315 /nfs/dbraw/zinc/08/23/15/488082315.db2.gz VWRGRZHPOKMXMA-UHFFFAOYSA-N 2 2 223.320 0.880 20 0 BCADLP Cc1c[nH]nc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000257714722 488083744 /nfs/dbraw/zinc/08/37/44/488083744.db2.gz OSFRYVSAHNWCMU-LBPRGKRZSA-N 2 2 249.362 0.198 20 0 BCADLP CC(C)[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000257798116 488088939 /nfs/dbraw/zinc/08/89/39/488088939.db2.gz VZNFZSREEYSHFB-MNOVXSKESA-N 2 2 225.336 0.052 20 0 BCADLP CC(C)[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000257798116 488088943 /nfs/dbraw/zinc/08/89/43/488088943.db2.gz VZNFZSREEYSHFB-MNOVXSKESA-N 2 2 225.336 0.052 20 0 BCADLP c1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)n(CC2CC2)n1 ZINC000667712777 488098336 /nfs/dbraw/zinc/09/83/36/488098336.db2.gz PHXLMVIQXYPDIK-STQMWFEESA-N 2 2 246.358 0.944 20 0 BCADLP C[NH2+]C[C@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000237065434 488103233 /nfs/dbraw/zinc/10/32/33/488103233.db2.gz AOIHPQCMGJWCOV-ZETCQYMHSA-N 2 2 208.265 0.458 20 0 BCADLP CC(C)C[C@@H](C)C[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662288963 487539013 /nfs/dbraw/zinc/53/90/13/487539013.db2.gz WDBHTVLPFSNDIY-VXGBXAGGSA-N 2 2 232.368 0.283 20 0 BCADLP CC(C)C[C@@H](C)C[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662288963 487539016 /nfs/dbraw/zinc/53/90/16/487539016.db2.gz WDBHTVLPFSNDIY-VXGBXAGGSA-N 2 2 232.368 0.283 20 0 BCADLP Cc1ccc(C[N@H+](CC[NH3+])C[C@H](O)CO)cc1 ZINC000662288099 487538847 /nfs/dbraw/zinc/53/88/47/487538847.db2.gz CUFFCYNYLZWUSX-ZDUSSCGKSA-N 2 2 238.331 0.109 20 0 BCADLP Cc1ccc(C[N@@H+](CC[NH3+])C[C@H](O)CO)cc1 ZINC000662288099 487538850 /nfs/dbraw/zinc/53/88/50/487538850.db2.gz CUFFCYNYLZWUSX-ZDUSSCGKSA-N 2 2 238.331 0.109 20 0 BCADLP CNC(=O)[C@@H]1CC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000668243524 487544525 /nfs/dbraw/zinc/54/45/25/487544525.db2.gz BJHLPDNJFSSZIZ-SNVBAGLBSA-N 2 2 236.319 0.296 20 0 BCADLP CNC(=O)[C@@H]1CC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000668243524 487544533 /nfs/dbraw/zinc/54/45/33/487544533.db2.gz BJHLPDNJFSSZIZ-SNVBAGLBSA-N 2 2 236.319 0.296 20 0 BCADLP C[C@@H](C(=O)N(C)Cc1[nH+]ccn1C)[NH+](C)C ZINC000674287291 487547283 /nfs/dbraw/zinc/54/72/83/487547283.db2.gz KBQCBPSXRJKVAU-VIFPVBQESA-N 2 2 224.308 0.329 20 0 BCADLP CC(C)(CO)[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000673895683 487471909 /nfs/dbraw/zinc/47/19/09/487471909.db2.gz LXPJNAYEFIXHKL-UHFFFAOYSA-N 2 2 238.335 0.298 20 0 BCADLP CO[C@@H]1C[N@H+](Cc2c[nH+]c3n2CCC3)C[C@H]1O ZINC000668224509 487482596 /nfs/dbraw/zinc/48/25/96/487482596.db2.gz PYWTUZOXRKMNED-GHMZBOCLSA-N 2 2 237.303 0.021 20 0 BCADLP CO[C@@H]1C[N@@H+](Cc2c[nH+]c3n2CCC3)C[C@H]1O ZINC000668224509 487482600 /nfs/dbraw/zinc/48/26/00/487482600.db2.gz PYWTUZOXRKMNED-GHMZBOCLSA-N 2 2 237.303 0.021 20 0 BCADLP Cc1cccc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[nH+]1 ZINC000405437148 487484173 /nfs/dbraw/zinc/48/41/73/487484173.db2.gz CJPOAQKJBIHWIN-NWDGAFQWSA-N 2 2 233.315 0.645 20 0 BCADLP Cc1cccc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[nH+]1 ZINC000405437148 487484182 /nfs/dbraw/zinc/48/41/82/487484182.db2.gz CJPOAQKJBIHWIN-NWDGAFQWSA-N 2 2 233.315 0.645 20 0 BCADLP CCc1nn(C)cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000380542125 487478567 /nfs/dbraw/zinc/47/85/67/487478567.db2.gz HJTUWUGMOZLSDR-ONGXEEELSA-N 2 2 222.336 0.904 20 0 BCADLP CCc1nn(C)cc1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000380542125 487478571 /nfs/dbraw/zinc/47/85/71/487478571.db2.gz HJTUWUGMOZLSDR-ONGXEEELSA-N 2 2 222.336 0.904 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCC2(CCC2)C1 ZINC000380562082 487478908 /nfs/dbraw/zinc/47/89/08/487478908.db2.gz MOSVBSZIIABOLQ-LLVKDONJSA-N 2 2 210.321 0.851 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCC2(CCC2)C1 ZINC000380562082 487478914 /nfs/dbraw/zinc/47/89/14/487478914.db2.gz MOSVBSZIIABOLQ-LLVKDONJSA-N 2 2 210.321 0.851 20 0 BCADLP C[NH+](C)CCCCC(=O)NCc1c[nH+]c[nH]1 ZINC000673934665 487484295 /nfs/dbraw/zinc/48/42/95/487484295.db2.gz GVIYDFAKLHQWOI-UHFFFAOYSA-N 2 2 224.308 0.758 20 0 BCADLP C[NH+](C)CCCCC(=O)NCc1c[nH]c[nH+]1 ZINC000673934665 487484299 /nfs/dbraw/zinc/48/42/99/487484299.db2.gz GVIYDFAKLHQWOI-UHFFFAOYSA-N 2 2 224.308 0.758 20 0 BCADLP CCNC(=O)C1C[NH+](Cc2c[nH+]c(C)n2C)C1 ZINC000668231778 487498585 /nfs/dbraw/zinc/49/85/85/487498585.db2.gz MUNQHMAAPSTVJZ-UHFFFAOYSA-N 2 2 236.319 0.296 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334183681 487496074 /nfs/dbraw/zinc/49/60/74/487496074.db2.gz DZCLRAXCJXHCDT-ZDUSSCGKSA-N 2 2 239.363 0.587 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334183681 487496075 /nfs/dbraw/zinc/49/60/75/487496075.db2.gz DZCLRAXCJXHCDT-ZDUSSCGKSA-N 2 2 239.363 0.587 20 0 BCADLP CO[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000381275688 487503123 /nfs/dbraw/zinc/50/31/23/487503123.db2.gz WVFSDSXPVCJVJR-RYUDHWBXSA-N 2 2 230.352 0.408 20 0 BCADLP CO[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000381275688 487503127 /nfs/dbraw/zinc/50/31/27/487503127.db2.gz WVFSDSXPVCJVJR-RYUDHWBXSA-N 2 2 230.352 0.408 20 0 BCADLP CO[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000381275688 487503129 /nfs/dbraw/zinc/50/31/29/487503129.db2.gz WVFSDSXPVCJVJR-RYUDHWBXSA-N 2 2 230.352 0.408 20 0 BCADLP CO[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000381275688 487503133 /nfs/dbraw/zinc/50/31/33/487503133.db2.gz WVFSDSXPVCJVJR-RYUDHWBXSA-N 2 2 230.352 0.408 20 0 BCADLP COC[C@@H](C[N@@H+]1CCC[C@H]([NH3+])C1)OC ZINC000300370841 487510941 /nfs/dbraw/zinc/51/09/41/487510941.db2.gz DOTOFZIMHGYFAB-VHSXEESVSA-N 2 2 202.298 0.071 20 0 BCADLP COC[C@@H](C[N@H+]1CCC[C@H]([NH3+])C1)OC ZINC000300370841 487510944 /nfs/dbraw/zinc/51/09/44/487510944.db2.gz DOTOFZIMHGYFAB-VHSXEESVSA-N 2 2 202.298 0.071 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC(=O)N2)C[N@@H+]1C1CC1 ZINC000161715815 487512928 /nfs/dbraw/zinc/51/29/28/487512928.db2.gz UUVPORWFHSVHSB-OUAUKWLOSA-N 2 2 237.347 0.480 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC(=O)N2)C[N@H+]1C1CC1 ZINC000161715815 487512934 /nfs/dbraw/zinc/51/29/34/487512934.db2.gz UUVPORWFHSVHSB-OUAUKWLOSA-N 2 2 237.347 0.480 20 0 BCADLP [NH3+][C@H]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000275776250 487515070 /nfs/dbraw/zinc/51/50/70/487515070.db2.gz PECAORNSRZXRNJ-QWRGUYRKSA-N 2 2 236.319 0.659 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000275776245 487515084 /nfs/dbraw/zinc/51/50/84/487515084.db2.gz PECAORNSRZXRNJ-GHMZBOCLSA-N 2 2 236.319 0.659 20 0 BCADLP CCN1CC[C@@H]([NH2+]C2CC[NH+](CC)CC2)C1=O ZINC000670160423 487518159 /nfs/dbraw/zinc/51/81/59/487518159.db2.gz RQGHARCJKRKYPZ-GFCCVEGCSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@]1(C(=O)Nc2ccc(N)[nH+]c2)CCC[NH2+]1 ZINC000118982351 487518475 /nfs/dbraw/zinc/51/84/75/487518475.db2.gz MHOGVYCJZKSDND-LLVKDONJSA-N 2 2 220.276 0.744 20 0 BCADLP CC[N@@H+]1CCN(CCn2cc[nH+]c2)C[C@H]1C ZINC000677987645 488168607 /nfs/dbraw/zinc/16/86/07/488168607.db2.gz CKUKXVSYXDAFFW-GFCCVEGCSA-N 2 2 222.336 0.909 20 0 BCADLP CC[N@H+]1CCN(CCn2cc[nH+]c2)C[C@H]1C ZINC000677987645 488168613 /nfs/dbraw/zinc/16/86/13/488168613.db2.gz CKUKXVSYXDAFFW-GFCCVEGCSA-N 2 2 222.336 0.909 20 0 BCADLP COCC1([N@H+](C)CCn2cc[nH+]c2)CC1 ZINC000677989063 488168638 /nfs/dbraw/zinc/16/86/38/488168638.db2.gz XPTYCGUCKWDURL-UHFFFAOYSA-N 2 2 209.293 0.994 20 0 BCADLP COCC1([N@@H+](C)CCn2cc[nH+]c2)CC1 ZINC000677989063 488168644 /nfs/dbraw/zinc/16/86/44/488168644.db2.gz XPTYCGUCKWDURL-UHFFFAOYSA-N 2 2 209.293 0.994 20 0 BCADLP CC[N@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000249828126 487724894 /nfs/dbraw/zinc/72/48/94/487724894.db2.gz NXZCDKXANSFFCB-MNOVXSKESA-N 2 2 246.376 0.105 20 0 BCADLP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000249828126 487724895 /nfs/dbraw/zinc/72/48/95/487724895.db2.gz NXZCDKXANSFFCB-MNOVXSKESA-N 2 2 246.376 0.105 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+][C@H]1CCCN(C)C1=O ZINC000662275789 490046013 /nfs/dbraw/zinc/04/60/13/490046013.db2.gz DTXVAJLTCWJTSE-WYUUTHIRSA-N 2 2 239.363 0.583 20 0 BCADLP C[N@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1CCC[NH+](C)C1 ZINC000259031281 488148500 /nfs/dbraw/zinc/14/85/00/488148500.db2.gz ZQWAMEQOZKOCPA-QWHCGFSZSA-N 3 2 225.380 0.870 20 0 BCADLP C[N@@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1CCC[NH+](C)C1 ZINC000259031281 488148502 /nfs/dbraw/zinc/14/85/02/488148502.db2.gz ZQWAMEQOZKOCPA-QWHCGFSZSA-N 3 2 225.380 0.870 20 0 BCADLP C[NH+](C[C@H]1CC[NH2+]C1)C[C@@H]1CCC[N@H+](C)C1 ZINC000259031281 488148506 /nfs/dbraw/zinc/14/85/06/488148506.db2.gz ZQWAMEQOZKOCPA-QWHCGFSZSA-N 3 2 225.380 0.870 20 0 BCADLP C[NH+](C[C@H]1CC[NH2+]C1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000259031281 488148510 /nfs/dbraw/zinc/14/85/10/488148510.db2.gz ZQWAMEQOZKOCPA-QWHCGFSZSA-N 3 2 225.380 0.870 20 0 BCADLP C[C@@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000237467196 488151384 /nfs/dbraw/zinc/15/13/84/488151384.db2.gz MRXDYFSZLDFKBM-SNVBAGLBSA-N 2 2 248.330 0.645 20 0 BCADLP CCn1cnnc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000230750218 488151488 /nfs/dbraw/zinc/15/14/88/488151488.db2.gz KAXHLTBURBWOMR-NXEZZACHSA-N 2 2 223.324 0.658 20 0 BCADLP CCn1cnnc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000230750226 488151600 /nfs/dbraw/zinc/15/16/00/488151600.db2.gz KAXHLTBURBWOMR-UWVGGRQHSA-N 2 2 223.324 0.658 20 0 BCADLP C[C@@H](CNC(=O)CCC[NH3+])Cn1cc[nH+]c1 ZINC000237535178 488152598 /nfs/dbraw/zinc/15/25/98/488152598.db2.gz CFBUSUPKDWGRKN-JTQLQIEISA-N 2 2 224.308 0.374 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@H+](CCc2ccnn2C)CCO1 ZINC000230775500 488157012 /nfs/dbraw/zinc/15/70/12/488157012.db2.gz ADBRHJSYHBZKCO-CMPLNLGQSA-N 2 2 238.335 0.011 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCc2ccnn2C)CCO1 ZINC000230775500 488157015 /nfs/dbraw/zinc/15/70/15/488157015.db2.gz ADBRHJSYHBZKCO-CMPLNLGQSA-N 2 2 238.335 0.011 20 0 BCADLP CCn1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)nn1 ZINC000404419397 488157436 /nfs/dbraw/zinc/15/74/36/488157436.db2.gz BIWYJPVYJFXOEB-MNOVXSKESA-N 2 2 237.351 0.870 20 0 BCADLP CCn1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)nn1 ZINC000404419397 488157440 /nfs/dbraw/zinc/15/74/40/488157440.db2.gz BIWYJPVYJFXOEB-MNOVXSKESA-N 2 2 237.351 0.870 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000657877436 488159499 /nfs/dbraw/zinc/15/94/99/488159499.db2.gz RJYBWYIPWBPLKF-AAEUAGOBSA-N 2 2 249.362 0.741 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000657877436 488159501 /nfs/dbraw/zinc/15/95/01/488159501.db2.gz RJYBWYIPWBPLKF-AAEUAGOBSA-N 2 2 249.362 0.741 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCNC(=O)C[C@@H]1C ZINC000677989133 488169407 /nfs/dbraw/zinc/16/94/07/488169407.db2.gz ZOLKZWARMOCPBW-JTQLQIEISA-N 2 2 236.319 0.402 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000677989133 488169408 /nfs/dbraw/zinc/16/94/08/488169408.db2.gz ZOLKZWARMOCPBW-JTQLQIEISA-N 2 2 236.319 0.402 20 0 BCADLP OCC[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000051916611 488180820 /nfs/dbraw/zinc/18/08/20/488180820.db2.gz OMPJEWLWCNJCSI-LBPRGKRZSA-N 2 2 223.320 0.978 20 0 BCADLP OCC[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000051916611 488180823 /nfs/dbraw/zinc/18/08/23/488180823.db2.gz OMPJEWLWCNJCSI-LBPRGKRZSA-N 2 2 223.320 0.978 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)n1C ZINC000668084699 488199565 /nfs/dbraw/zinc/19/95/65/488199565.db2.gz SUBIBDNGFFOTOC-CYBMUJFWSA-N 2 2 248.330 0.441 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)n1C ZINC000668084699 488199570 /nfs/dbraw/zinc/19/95/70/488199570.db2.gz SUBIBDNGFFOTOC-CYBMUJFWSA-N 2 2 248.330 0.441 20 0 BCADLP Cc1nnsc1C[N@H+](C)CCC[NH3+] ZINC000308348583 488201749 /nfs/dbraw/zinc/20/17/49/488201749.db2.gz XCAZZAXHNBRLBY-UHFFFAOYSA-N 2 2 200.311 0.627 20 0 BCADLP Cc1nnsc1C[N@@H+](C)CCC[NH3+] ZINC000308348583 488201750 /nfs/dbraw/zinc/20/17/50/488201750.db2.gz XCAZZAXHNBRLBY-UHFFFAOYSA-N 2 2 200.311 0.627 20 0 BCADLP Cn1nncc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678235366 488223264 /nfs/dbraw/zinc/22/32/64/488223264.db2.gz RSYSIGJHDHUSGR-LLVKDONJSA-N 2 2 246.318 0.849 20 0 BCADLP Cn1nncc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678235366 488223267 /nfs/dbraw/zinc/22/32/67/488223267.db2.gz RSYSIGJHDHUSGR-LLVKDONJSA-N 2 2 246.318 0.849 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672152258 488241542 /nfs/dbraw/zinc/24/15/42/488241542.db2.gz IMFIICNVVNMWCA-PWSUYJOCSA-N 2 2 248.330 0.408 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672152258 488241545 /nfs/dbraw/zinc/24/15/45/488241545.db2.gz IMFIICNVVNMWCA-PWSUYJOCSA-N 2 2 248.330 0.408 20 0 BCADLP C[C@@H](N[C@H]1C[N@H+](C)C[C@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000678602071 488270508 /nfs/dbraw/zinc/27/05/08/488270508.db2.gz SHZLPDUCRMYDQP-FVCCEPFGSA-N 2 2 241.379 0.245 20 0 BCADLP C[C@@H](N[C@H]1C[N@@H+](C)C[C@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000678602071 488270511 /nfs/dbraw/zinc/27/05/11/488270511.db2.gz SHZLPDUCRMYDQP-FVCCEPFGSA-N 2 2 241.379 0.245 20 0 BCADLP C[C@@H](N[C@H]1C[NH+](C)C[C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000678602071 488270514 /nfs/dbraw/zinc/27/05/14/488270514.db2.gz SHZLPDUCRMYDQP-FVCCEPFGSA-N 2 2 241.379 0.245 20 0 BCADLP C[C@@H](N[C@H]1C[NH+](C)C[C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000678602071 488270518 /nfs/dbraw/zinc/27/05/18/488270518.db2.gz SHZLPDUCRMYDQP-FVCCEPFGSA-N 2 2 241.379 0.245 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000673640171 488299102 /nfs/dbraw/zinc/29/91/02/488299102.db2.gz DKVVNKLOZCHPTP-NWDGAFQWSA-N 2 2 248.330 0.626 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000673640171 488299103 /nfs/dbraw/zinc/29/91/03/488299103.db2.gz DKVVNKLOZCHPTP-NWDGAFQWSA-N 2 2 248.330 0.626 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000673640353 488299186 /nfs/dbraw/zinc/29/91/86/488299186.db2.gz DKVVNKLOZCHPTP-VXGBXAGGSA-N 2 2 248.330 0.626 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000673640353 488299191 /nfs/dbraw/zinc/29/91/91/488299191.db2.gz DKVVNKLOZCHPTP-VXGBXAGGSA-N 2 2 248.330 0.626 20 0 BCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000673666387 488301467 /nfs/dbraw/zinc/30/14/67/488301467.db2.gz MTUXNCMZQKIDAD-SNVBAGLBSA-N 2 2 236.319 0.553 20 0 BCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000673666387 488301468 /nfs/dbraw/zinc/30/14/68/488301468.db2.gz MTUXNCMZQKIDAD-SNVBAGLBSA-N 2 2 236.319 0.553 20 0 BCADLP Cc1cc(NC(=O)C=CC[NH+](C)C)cc[nH+]1 ZINC000491850661 490120598 /nfs/dbraw/zinc/12/05/98/490120598.db2.gz QGOQBJAAMJMURN-PLNGDYQASA-N 2 2 219.288 0.868 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000382215226 490136956 /nfs/dbraw/zinc/13/69/56/490136956.db2.gz LRPVSNHOSRURDR-KQSJRHEJSA-N 2 2 210.321 0.846 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000382215226 490136963 /nfs/dbraw/zinc/13/69/63/490136963.db2.gz LRPVSNHOSRURDR-KQSJRHEJSA-N 2 2 210.321 0.846 20 0 BCADLP CC(C)[C@@](C)(O)C[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000185005460 490154474 /nfs/dbraw/zinc/15/44/74/490154474.db2.gz WXHWIVCTRUXBSA-OLZOCXBDSA-N 2 2 244.379 0.656 20 0 BCADLP CC(C)[C@@](C)(O)C[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000185005460 490154477 /nfs/dbraw/zinc/15/44/77/490154477.db2.gz WXHWIVCTRUXBSA-OLZOCXBDSA-N 2 2 244.379 0.656 20 0 BCADLP Cc1[nH+]cc(CN2CC[C@@H]3C[N@H+](C)C[C@H]32)n1C ZINC000668186626 490337932 /nfs/dbraw/zinc/33/79/32/490337932.db2.gz NMGWKBCUQHGQNI-DGCLKSJQSA-N 2 2 234.347 0.864 20 0 BCADLP Cc1[nH+]cc(CN2CC[C@@H]3C[N@@H+](C)C[C@H]32)n1C ZINC000668186626 490337936 /nfs/dbraw/zinc/33/79/36/490337936.db2.gz NMGWKBCUQHGQNI-DGCLKSJQSA-N 2 2 234.347 0.864 20 0 BCADLP C[C@@]1(C(=O)NCc2c[nH]c[nH+]2)CC[NH2+]C1 ZINC000084081109 490365126 /nfs/dbraw/zinc/36/51/26/490365126.db2.gz ZSZBIUJCXUCURU-SNVBAGLBSA-N 2 2 208.265 0.026 20 0 BCADLP C[C@@]1(C(=O)NCc2c[nH+]c[nH]2)CC[NH2+]C1 ZINC000084081109 490365120 /nfs/dbraw/zinc/36/51/20/490365120.db2.gz ZSZBIUJCXUCURU-SNVBAGLBSA-N 2 2 208.265 0.026 20 0 BCADLP C[C@H](O)[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000564975786 490435981 /nfs/dbraw/zinc/43/59/81/490435981.db2.gz MUABOOBAMIZZNG-SDDRHHMPSA-N 2 2 230.352 0.192 20 0 BCADLP C[C@H](O)[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000564975786 490435984 /nfs/dbraw/zinc/43/59/84/490435984.db2.gz MUABOOBAMIZZNG-SDDRHHMPSA-N 2 2 230.352 0.192 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CC[N@@H+]1C ZINC000127804600 490560222 /nfs/dbraw/zinc/56/02/22/490560222.db2.gz JTZHQZNYOCJVMG-UWVGGRQHSA-N 2 2 213.325 0.147 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CC[N@H+]1C ZINC000127804600 490560226 /nfs/dbraw/zinc/56/02/26/490560226.db2.gz JTZHQZNYOCJVMG-UWVGGRQHSA-N 2 2 213.325 0.147 20 0 BCADLP COC1(CO)CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000401783053 490586586 /nfs/dbraw/zinc/58/65/86/490586586.db2.gz XSAULOLCDCPBFC-UHFFFAOYSA-N 2 2 239.319 0.356 20 0 BCADLP CCCn1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000220221554 490593348 /nfs/dbraw/zinc/59/33/48/490593348.db2.gz UWFYEYRFBCREOY-CHWSQXEVSA-N 2 2 234.347 0.944 20 0 BCADLP NC(=O)C[N@H+](CCn1cc[nH+]c1)C1CCCC1 ZINC000131112228 490602911 /nfs/dbraw/zinc/60/29/11/490602911.db2.gz HMRAHVDLLWUMQS-UHFFFAOYSA-N 2 2 236.319 0.613 20 0 BCADLP NC(=O)C[N@@H+](CCn1cc[nH+]c1)C1CCCC1 ZINC000131112228 490602917 /nfs/dbraw/zinc/60/29/17/490602917.db2.gz HMRAHVDLLWUMQS-UHFFFAOYSA-N 2 2 236.319 0.613 20 0 BCADLP O[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C(F)(F)F ZINC000227479867 491061481 /nfs/dbraw/zinc/06/14/81/491061481.db2.gz FNCHSUVQDCCZDX-BWZBUEFSSA-N 2 2 224.226 0.061 20 0 BCADLP C[C@]1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[NH2+]C1 ZINC000663013183 491122724 /nfs/dbraw/zinc/12/27/24/491122724.db2.gz AGHSNJCJCXYILN-MFKMUULPSA-N 2 2 248.330 0.314 20 0 BCADLP C[C@H](CC[NH3+])NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655451424 491129447 /nfs/dbraw/zinc/12/94/47/491129447.db2.gz JOOGCTJDYKCEBQ-NXEZZACHSA-N 2 2 236.319 0.299 20 0 BCADLP C[C@@H]1[C@H](C)SCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000132422600 491135887 /nfs/dbraw/zinc/13/58/87/491135887.db2.gz ZRXGGYXLDUNPJK-VWYCJHECSA-N 2 2 230.377 0.801 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)CO ZINC000308686555 491137771 /nfs/dbraw/zinc/13/77/71/491137771.db2.gz ZSUMOJDQSNVIRH-VHSXEESVSA-N 2 2 200.326 0.545 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)CO ZINC000308686555 491137772 /nfs/dbraw/zinc/13/77/72/491137772.db2.gz ZSUMOJDQSNVIRH-VHSXEESVSA-N 2 2 200.326 0.545 20 0 BCADLP Cn1c[nH+]c(CNCC2([NH+](C)C)CCC2)c1 ZINC000309310896 491146672 /nfs/dbraw/zinc/14/66/72/491146672.db2.gz WZCXUDXVMCZEEB-UHFFFAOYSA-N 2 2 222.336 0.994 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cn[nH]c1 ZINC000309745569 491155874 /nfs/dbraw/zinc/15/58/74/491155874.db2.gz FLSSODZYUPNQFI-CABZTGNLSA-N 2 2 220.320 0.982 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cn[nH]c1 ZINC000309745569 491155875 /nfs/dbraw/zinc/15/58/75/491155875.db2.gz FLSSODZYUPNQFI-CABZTGNLSA-N 2 2 220.320 0.982 20 0 BCADLP C[C@@H](Cn1cccn1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000134269210 491162624 /nfs/dbraw/zinc/16/26/24/491162624.db2.gz WSGZCMXVWPSGLY-NWDGAFQWSA-N 2 2 222.336 0.955 20 0 BCADLP C[C@@H](Cn1cccn1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000134269210 491162625 /nfs/dbraw/zinc/16/26/25/491162625.db2.gz WSGZCMXVWPSGLY-NWDGAFQWSA-N 2 2 222.336 0.955 20 0 BCADLP C[C@@H]1C[C@@H]1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000488422135 533726994 /nfs/dbraw/zinc/72/69/94/533726994.db2.gz YHTNYWIQKPEDEQ-IJLUTSLNSA-N 2 2 239.363 0.572 20 0 BCADLP C[C@@H]1C[C@@H]1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000488422135 533726999 /nfs/dbraw/zinc/72/69/99/533726999.db2.gz YHTNYWIQKPEDEQ-IJLUTSLNSA-N 2 2 239.363 0.572 20 0 BCADLP C[C@@H]1CC[N@H+](CCNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492771454 534035001 /nfs/dbraw/zinc/03/50/01/534035001.db2.gz RULFSQJFMWERRM-OTDNITJGSA-N 2 2 248.330 0.881 20 0 BCADLP C[C@@H]1CC[N@@H+](CCNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492771454 534035008 /nfs/dbraw/zinc/03/50/08/534035008.db2.gz RULFSQJFMWERRM-OTDNITJGSA-N 2 2 248.330 0.881 20 0 BCADLP CCOC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000178516912 535677200 /nfs/dbraw/zinc/67/72/00/535677200.db2.gz UEUDATPYFQKGMX-LLVKDONJSA-N 2 2 237.303 0.911 20 0 BCADLP CCOC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000178516912 535677206 /nfs/dbraw/zinc/67/72/06/535677206.db2.gz UEUDATPYFQKGMX-LLVKDONJSA-N 2 2 237.303 0.911 20 0 BCADLP CCN(C)C(=O)[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000231843141 535732553 /nfs/dbraw/zinc/73/25/53/535732553.db2.gz KFVDYECTYCKMBW-NXEZZACHSA-N 2 2 213.325 0.195 20 0 BCADLP CC[C@@H](O)C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000367047711 535813671 /nfs/dbraw/zinc/81/36/71/535813671.db2.gz LXWRVMABNHBOFQ-IJLUTSLNSA-N 2 2 212.337 0.783 20 0 BCADLP CC[C@@H](O)C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000367047711 535813672 /nfs/dbraw/zinc/81/36/72/535813672.db2.gz LXWRVMABNHBOFQ-IJLUTSLNSA-N 2 2 212.337 0.783 20 0 BCADLP CC[NH2+]CCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000891997124 582757492 /nfs/dbraw/zinc/75/74/92/582757492.db2.gz UGVSUVJAOJTRJM-UHFFFAOYSA-N 2 2 225.296 0.161 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000892140943 582799169 /nfs/dbraw/zinc/79/91/69/582799169.db2.gz FQSHSBCMYUGORU-SFYZADRCSA-N 2 2 225.296 0.287 20 0 BCADLP C[C@@H]1CN(C)C[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494402326 534444116 /nfs/dbraw/zinc/44/41/16/534444116.db2.gz DOAXMBHSCLQKAJ-IJLUTSLNSA-N 2 2 234.347 0.738 20 0 BCADLP CC(=O)[C@@](C)(O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000347816124 534788108 /nfs/dbraw/zinc/78/81/08/534788108.db2.gz VZPVVGBAZCLFBI-RYUDHWBXSA-N 2 2 228.336 0.210 20 0 BCADLP CC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000347816124 534788115 /nfs/dbraw/zinc/78/81/15/534788115.db2.gz VZPVVGBAZCLFBI-RYUDHWBXSA-N 2 2 228.336 0.210 20 0 BCADLP COC(=O)[C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227736071 536441729 /nfs/dbraw/zinc/44/17/29/536441729.db2.gz QRKXPEIPBLMBBV-NXEZZACHSA-N 2 2 216.325 0.853 20 0 BCADLP COC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227736071 536441733 /nfs/dbraw/zinc/44/17/33/536441733.db2.gz QRKXPEIPBLMBBV-NXEZZACHSA-N 2 2 216.325 0.853 20 0 BCADLP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262992646 536477145 /nfs/dbraw/zinc/47/71/45/536477145.db2.gz NWEVABSYTRRWIG-RKDXNWHRSA-N 2 2 247.289 0.052 20 0 BCADLP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262992646 536477147 /nfs/dbraw/zinc/47/71/47/536477147.db2.gz NWEVABSYTRRWIG-RKDXNWHRSA-N 2 2 247.289 0.052 20 0 BCADLP Cn1ccnc1C[NH2+]CCCn1cc[nH+]c1 ZINC000022863395 527435361 /nfs/dbraw/zinc/43/53/61/527435361.db2.gz PYEGSHAYHBWHLS-UHFFFAOYSA-N 2 2 219.292 0.797 20 0 BCADLP CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400444354 527712180 /nfs/dbraw/zinc/71/21/80/527712180.db2.gz NFZQNCGKVPGMTK-OUAUKWLOSA-N 2 2 227.352 0.630 20 0 BCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC000174946799 527849520 /nfs/dbraw/zinc/84/95/20/527849520.db2.gz ZBZVETVLOGPBOC-SNVBAGLBSA-N 2 2 213.325 0.135 20 0 BCADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(N)=O)C1 ZINC000174946799 527849506 /nfs/dbraw/zinc/84/95/06/527849506.db2.gz ZBZVETVLOGPBOC-SNVBAGLBSA-N 2 2 213.325 0.135 20 0 BCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(N)=O)C1 ZINC000174946799 527849514 /nfs/dbraw/zinc/84/95/14/527849514.db2.gz ZBZVETVLOGPBOC-SNVBAGLBSA-N 2 2 213.325 0.135 20 0 BCADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(N)=O)C1 ZINC000174946799 527849517 /nfs/dbraw/zinc/84/95/17/527849517.db2.gz ZBZVETVLOGPBOC-SNVBAGLBSA-N 2 2 213.325 0.135 20 0 BCADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](CC)C(N)=O)C1 ZINC000174971297 527852139 /nfs/dbraw/zinc/85/21/39/527852139.db2.gz WCFKDCLJQNNMDY-NEPJUHHUSA-N 2 2 241.379 0.914 20 0 BCADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](CC)C(N)=O)C1 ZINC000174971297 527852141 /nfs/dbraw/zinc/85/21/41/527852141.db2.gz WCFKDCLJQNNMDY-NEPJUHHUSA-N 2 2 241.379 0.914 20 0 BCADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](CC)C(N)=O)C1 ZINC000174971297 527852146 /nfs/dbraw/zinc/85/21/46/527852146.db2.gz WCFKDCLJQNNMDY-NEPJUHHUSA-N 2 2 241.379 0.914 20 0 BCADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](CC)C(N)=O)C1 ZINC000174971297 527852150 /nfs/dbraw/zinc/85/21/50/527852150.db2.gz WCFKDCLJQNNMDY-NEPJUHHUSA-N 2 2 241.379 0.914 20 0 BCADLP CCN1C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CC1=O ZINC000400336504 527992356 /nfs/dbraw/zinc/99/23/56/527992356.db2.gz GEMOXHIXGNWUQU-AXFHLTTASA-N 2 2 225.336 0.337 20 0 BCADLP CC[NH+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493001012 529109368 /nfs/dbraw/zinc/10/93/68/529109368.db2.gz AFSREZGMCFFSDZ-ONEGZZNKSA-N 2 2 234.303 0.587 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000335646858 534986364 /nfs/dbraw/zinc/98/63/64/534986364.db2.gz OWPJSGWXUXUHDW-GHMZBOCLSA-N 3 2 211.353 0.716 20 0 BCADLP CC(C)[N@H+](C)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000174746386 534997421 /nfs/dbraw/zinc/99/74/21/534997421.db2.gz FZPADYZFVMLRSO-UHFFFAOYSA-N 2 2 224.308 0.409 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000174746386 534997427 /nfs/dbraw/zinc/99/74/27/534997427.db2.gz FZPADYZFVMLRSO-UHFFFAOYSA-N 2 2 224.308 0.409 20 0 BCADLP CC(C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000257970588 535166746 /nfs/dbraw/zinc/16/67/46/535166746.db2.gz DJPHWXRVVTUESE-LLVKDONJSA-N 2 2 225.336 0.291 20 0 BCADLP CC(C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000257970588 535166747 /nfs/dbraw/zinc/16/67/47/535166747.db2.gz DJPHWXRVVTUESE-LLVKDONJSA-N 2 2 225.336 0.291 20 0 BCADLP CCC[NH2+][C@H](C)C(=O)N1CC[NH+](C)CC1 ZINC000261536135 535189253 /nfs/dbraw/zinc/18/92/53/535189253.db2.gz QMXWOQFABGZSCK-SNVBAGLBSA-N 2 2 213.325 0.149 20 0 BCADLP CCCS(=O)(=O)CC[NH2+]CC1([NH3+])CCC1 ZINC000261562898 535295444 /nfs/dbraw/zinc/29/54/44/535295444.db2.gz BRXPPHKUWJSLLF-UHFFFAOYSA-N 2 2 234.365 0.282 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@H+](C)CCC[NH2+]C ZINC000087472810 535575044 /nfs/dbraw/zinc/57/50/44/535575044.db2.gz UCMFNJKDCRWVFQ-SNVBAGLBSA-N 2 2 215.341 0.442 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@@H+](C)CCC[NH2+]C ZINC000087472810 535575053 /nfs/dbraw/zinc/57/50/53/535575053.db2.gz UCMFNJKDCRWVFQ-SNVBAGLBSA-N 2 2 215.341 0.442 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252780918 535627353 /nfs/dbraw/zinc/62/73/53/535627353.db2.gz MOSOQWOWMIXGKD-LPEHRKFASA-N 2 2 214.309 0.607 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252780918 535627358 /nfs/dbraw/zinc/62/73/58/535627358.db2.gz MOSOQWOWMIXGKD-LPEHRKFASA-N 2 2 214.309 0.607 20 0 BCADLP CCS(=O)(=O)CC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252697242 535629241 /nfs/dbraw/zinc/62/92/41/535629241.db2.gz GFMOFBXKLSBMHL-NXEZZACHSA-N 2 2 234.365 0.090 20 0 BCADLP CCS(=O)(=O)CC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252697242 535629247 /nfs/dbraw/zinc/62/92/47/535629247.db2.gz GFMOFBXKLSBMHL-NXEZZACHSA-N 2 2 234.365 0.090 20 0 BCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335700414 535720585 /nfs/dbraw/zinc/72/05/85/535720585.db2.gz VJCVQLRGMUNCDM-CYBMUJFWSA-N 2 2 239.363 0.492 20 0 BCADLP CCN(C)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335700414 535720593 /nfs/dbraw/zinc/72/05/93/535720593.db2.gz VJCVQLRGMUNCDM-CYBMUJFWSA-N 2 2 239.363 0.492 20 0 BCADLP CCN(C)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335700414 535720596 /nfs/dbraw/zinc/72/05/96/535720596.db2.gz VJCVQLRGMUNCDM-CYBMUJFWSA-N 2 2 239.363 0.492 20 0 BCADLP CCN(C)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335700414 535720604 /nfs/dbraw/zinc/72/06/04/535720604.db2.gz VJCVQLRGMUNCDM-CYBMUJFWSA-N 2 2 239.363 0.492 20 0 BCADLP CC[NH+]1CCN(Cc2[nH+]cc(C)n2C)CC1 ZINC000342799881 535722001 /nfs/dbraw/zinc/72/20/01/535722001.db2.gz PETRMUFJDMETQA-UHFFFAOYSA-N 2 2 222.336 0.866 20 0 BCADLP CC[C@@H](O)C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000367047711 535813669 /nfs/dbraw/zinc/81/36/69/535813669.db2.gz LXWRVMABNHBOFQ-IJLUTSLNSA-N 2 2 212.337 0.783 20 0 BCADLP CC[C@@H](O)C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000367047711 535813670 /nfs/dbraw/zinc/81/36/70/535813670.db2.gz LXWRVMABNHBOFQ-IJLUTSLNSA-N 2 2 212.337 0.783 20 0 BCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1c[nH+]c[nH]1 ZINC000084081133 535848288 /nfs/dbraw/zinc/84/82/88/535848288.db2.gz BXQBVKPIDFVAFV-IONNQARKSA-N 2 2 210.281 0.399 20 0 BCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1c[nH]c[nH+]1 ZINC000084081133 535848292 /nfs/dbraw/zinc/84/82/92/535848292.db2.gz BXQBVKPIDFVAFV-IONNQARKSA-N 2 2 210.281 0.399 20 0 BCADLP CCn1c(C)nnc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351849063 535974366 /nfs/dbraw/zinc/97/43/66/535974366.db2.gz FJCNNUVLYZYJMR-GXSJLCMTSA-N 2 2 237.351 0.776 20 0 BCADLP CCn1c(C)nnc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351849063 535974371 /nfs/dbraw/zinc/97/43/71/535974371.db2.gz FJCNNUVLYZYJMR-GXSJLCMTSA-N 2 2 237.351 0.776 20 0 BCADLP CC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000253033494 535994727 /nfs/dbraw/zinc/99/47/27/535994727.db2.gz URKXJJFFWNAMCK-NHCYSSNCSA-N 2 2 212.337 0.972 20 0 BCADLP CC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000253033494 535994735 /nfs/dbraw/zinc/99/47/35/535994735.db2.gz URKXJJFFWNAMCK-NHCYSSNCSA-N 2 2 212.337 0.972 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263003866 536374547 /nfs/dbraw/zinc/37/45/47/536374547.db2.gz OYRUYBLWUCNFNO-RKDXNWHRSA-N 2 2 247.289 0.194 20 0 BCADLP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263003866 536374550 /nfs/dbraw/zinc/37/45/50/536374550.db2.gz OYRUYBLWUCNFNO-RKDXNWHRSA-N 2 2 247.289 0.194 20 0 BCADLP CO[C@@H]1CC[C@H]([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000261540308 536706740 /nfs/dbraw/zinc/70/67/40/536706740.db2.gz FWNKIELNTJIDNE-MROQNXINSA-N 2 2 242.363 0.911 20 0 BCADLP COc1ccccc1OCC[N@H+](C)CC[NH3+] ZINC000083878488 537093859 /nfs/dbraw/zinc/09/38/59/537093859.db2.gz ZTKLJNIBLWNZOE-UHFFFAOYSA-N 2 2 224.304 0.965 20 0 BCADLP COc1ccccc1OCC[N@@H+](C)CC[NH3+] ZINC000083878488 537093861 /nfs/dbraw/zinc/09/38/61/537093861.db2.gz ZTKLJNIBLWNZOE-UHFFFAOYSA-N 2 2 224.304 0.965 20 0 BCADLP CC(=O)OC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000892721105 582968956 /nfs/dbraw/zinc/96/89/56/582968956.db2.gz IVTOIWDEZJAPTO-MWLCHTKSSA-N 2 2 214.309 0.622 20 0 BCADLP CC(=O)OC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000892721105 582968958 /nfs/dbraw/zinc/96/89/58/582968958.db2.gz IVTOIWDEZJAPTO-MWLCHTKSSA-N 2 2 214.309 0.622 20 0 BCADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)[C@H]1OC ZINC000892723104 582969462 /nfs/dbraw/zinc/96/94/62/582969462.db2.gz ZIUMSHGWCJYZHU-UMSGYPCISA-N 2 2 242.363 0.863 20 0 BCADLP O[C@H]1C[C@H]([NH2+]Cc2c[nH+]c[nH]2)C12CCC2 ZINC000852583352 583015499 /nfs/dbraw/zinc/01/54/99/583015499.db2.gz UWSOEXSBLZAGOE-UWVGGRQHSA-N 2 2 207.277 0.803 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)c1ccccn1 ZINC000853097395 588719782 /nfs/dbraw/zinc/71/97/82/588719782.db2.gz AMSQIKQKXBKVRN-YPMHNXCESA-N 2 2 246.314 0.990 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccccn2)C1 ZINC000853109398 588720946 /nfs/dbraw/zinc/72/09/46/588720946.db2.gz ZXHFGZGIFWFMMF-AAEUAGOBSA-N 2 2 235.331 0.799 20 0 BCADLP Cc1nc(N[C@@H](CO)C[NH+](C)C)c(C)c(C)[nH+]1 ZINC000853623663 588750825 /nfs/dbraw/zinc/75/08/25/588750825.db2.gz CWEHKTJJKKVNND-LLVKDONJSA-N 2 2 238.335 0.736 20 0 BCADLP C[C@@H](C[NH+](C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854458494 588787830 /nfs/dbraw/zinc/78/78/30/588787830.db2.gz KPOIIRAVUSYJFY-QMMMGPOBSA-N 2 2 210.281 0.019 20 0 BCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH+](C)C ZINC000854597286 588796694 /nfs/dbraw/zinc/79/66/94/588796694.db2.gz UAUXRUYHCMSJNW-SECBINFHSA-N 2 2 224.308 0.266 20 0 BCADLP C[NH+](C)C1(C(=O)N[C@@H]2CCn3cc[nH+]c32)CC1 ZINC000854684749 588801082 /nfs/dbraw/zinc/80/10/82/588801082.db2.gz DNZIRDNASIWGDT-SECBINFHSA-N 2 2 234.303 0.538 20 0 BCADLP C/C=C\C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855417243 588832389 /nfs/dbraw/zinc/83/23/89/588832389.db2.gz WBLSBWDXKNQMNZ-ALCCZGGFSA-N 2 2 227.352 0.562 20 0 BCADLP C/C=C\C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855417243 588832390 /nfs/dbraw/zinc/83/23/90/588832390.db2.gz WBLSBWDXKNQMNZ-ALCCZGGFSA-N 2 2 227.352 0.562 20 0 BCADLP Cc1[nH+]c2ccccn2c1CNC(=O)C[NH+](C)C ZINC000890854502 582580613 /nfs/dbraw/zinc/58/06/13/582580613.db2.gz GVJLNXRQBRLOPT-UHFFFAOYSA-N 2 2 246.314 0.821 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCc1[nH+]ccn1C ZINC000891506964 582693846 /nfs/dbraw/zinc/69/38/46/582693846.db2.gz NCVOBYUBSZIDPL-IUCAKERBSA-N 2 2 237.307 0.051 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000892049484 582774543 /nfs/dbraw/zinc/77/45/43/582774543.db2.gz WJVPJYUUMXCOCW-VIFPVBQESA-N 2 2 237.307 0.288 20 0 BCADLP C[C@@H](CC[NH3+])NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000892055972 582778091 /nfs/dbraw/zinc/77/80/91/582778091.db2.gz OQKZPGZPBTYIMW-QMMMGPOBSA-N 2 2 225.296 0.288 20 0 BCADLP CC1(C)OC[C@H](C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)O1 ZINC000892058735 582779108 /nfs/dbraw/zinc/77/91/08/582779108.db2.gz FTILPWQGENRALP-SDDRHHMPSA-N 2 2 240.347 0.822 20 0 BCADLP CC1(C)OC[C@H](C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)O1 ZINC000892058735 582779109 /nfs/dbraw/zinc/77/91/09/582779109.db2.gz FTILPWQGENRALP-SDDRHHMPSA-N 2 2 240.347 0.822 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCC(F)(F)C[NH3+] ZINC000892065132 582782328 /nfs/dbraw/zinc/78/23/28/582782328.db2.gz LIOGCQITLPYWCE-UHFFFAOYSA-N 2 2 247.249 0.145 20 0 BCADLP CN(C)c1cc(N2CC[NH+](C3CC3)CC2)nc[nH+]1 ZINC000892075950 582785561 /nfs/dbraw/zinc/78/55/61/582785561.db2.gz QJTULEQXWKVVES-UHFFFAOYSA-N 2 2 247.346 0.827 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000892140941 582799457 /nfs/dbraw/zinc/79/94/57/582799457.db2.gz FQSHSBCMYUGORU-HTQZYQBOSA-N 2 2 225.296 0.287 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000892261082 582816592 /nfs/dbraw/zinc/81/65/92/582816592.db2.gz HHQIYEZNKYJUOM-UHFFFAOYSA-N 2 2 249.318 0.303 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000892305786 582833392 /nfs/dbraw/zinc/83/33/92/582833392.db2.gz LRABZCPMRFJFQT-DTWKUNHWSA-N 2 2 237.307 0.302 20 0 BCADLP CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000856073742 588859634 /nfs/dbraw/zinc/85/96/34/588859634.db2.gz WKDFYFINZLZDAY-SNVBAGLBSA-N 2 2 236.319 0.553 20 0 BCADLP CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000856073742 588859635 /nfs/dbraw/zinc/85/96/35/588859635.db2.gz WKDFYFINZLZDAY-SNVBAGLBSA-N 2 2 236.319 0.553 20 0 BCADLP CC(=O)OC[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000892567301 582915398 /nfs/dbraw/zinc/91/53/98/582915398.db2.gz SBCHAPZSZJHDHH-NXEZZACHSA-N 2 2 225.292 0.813 20 0 BCADLP CNc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)nc[nH+]1 ZINC000892679684 582951955 /nfs/dbraw/zinc/95/19/55/582951955.db2.gz QCLGEEHSBFYHDI-LLVKDONJSA-N 2 2 245.330 0.969 20 0 BCADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)[C@H]1OC ZINC000892723104 582969460 /nfs/dbraw/zinc/96/94/60/582969460.db2.gz ZIUMSHGWCJYZHU-UMSGYPCISA-N 2 2 242.363 0.863 20 0 BCADLP CC[N@@H+]1CCN(c2nc(N)cc(C)[nH+]2)[C@@H](C)C1 ZINC000893829623 583226882 /nfs/dbraw/zinc/22/68/82/583226882.db2.gz PLIBTYLNOPJBBP-JTQLQIEISA-N 2 2 235.335 0.898 20 0 BCADLP CC[N@H+]1CCN(c2nc(N)cc(C)[nH+]2)[C@@H](C)C1 ZINC000893829623 583226883 /nfs/dbraw/zinc/22/68/83/583226883.db2.gz PLIBTYLNOPJBBP-JTQLQIEISA-N 2 2 235.335 0.898 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@@H+]1CCC2(C1)OCCO2 ZINC000893994613 583268124 /nfs/dbraw/zinc/26/81/24/583268124.db2.gz AEIPBODABIYAOI-UHFFFAOYSA-N 2 2 249.314 0.921 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@H+]1CCC2(C1)OCCO2 ZINC000893994613 583268127 /nfs/dbraw/zinc/26/81/27/583268127.db2.gz AEIPBODABIYAOI-UHFFFAOYSA-N 2 2 249.314 0.921 20 0 BCADLP C[C@H]1c2nncn2CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000893989403 583270118 /nfs/dbraw/zinc/27/01/18/583270118.db2.gz OGAAIKJEPVVLKZ-NSHDSACASA-N 2 2 249.362 0.997 20 0 BCADLP C[C@H]1c2nncn2CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000893989403 583270120 /nfs/dbraw/zinc/27/01/20/583270120.db2.gz OGAAIKJEPVVLKZ-NSHDSACASA-N 2 2 249.362 0.997 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cn1 ZINC000877743525 583346179 /nfs/dbraw/zinc/34/61/79/583346179.db2.gz KZJSKERULOOSEG-STQMWFEESA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cn1 ZINC000877743525 583346181 /nfs/dbraw/zinc/34/61/81/583346181.db2.gz KZJSKERULOOSEG-STQMWFEESA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cn1 ZINC000877743525 583346182 /nfs/dbraw/zinc/34/61/82/583346182.db2.gz KZJSKERULOOSEG-STQMWFEESA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cn1 ZINC000877743525 583346184 /nfs/dbraw/zinc/34/61/84/583346184.db2.gz KZJSKERULOOSEG-STQMWFEESA-N 2 2 234.347 0.946 20 0 BCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3CCC3=O)CC[C@H]21 ZINC000857235535 588899931 /nfs/dbraw/zinc/89/99/31/588899931.db2.gz UIECFABLUZIKSD-VXGBXAGGSA-N 2 2 237.347 0.592 20 0 BCADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3CCC3=O)CC[C@H]21 ZINC000857235535 588899933 /nfs/dbraw/zinc/89/99/33/588899933.db2.gz UIECFABLUZIKSD-VXGBXAGGSA-N 2 2 237.347 0.592 20 0 BCADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3CCC3=O)CC[C@H]21 ZINC000857235535 588899934 /nfs/dbraw/zinc/89/99/34/588899934.db2.gz UIECFABLUZIKSD-VXGBXAGGSA-N 2 2 237.347 0.592 20 0 BCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3CCC3=O)CC[C@H]21 ZINC000857235535 588899936 /nfs/dbraw/zinc/89/99/36/588899936.db2.gz UIECFABLUZIKSD-VXGBXAGGSA-N 2 2 237.347 0.592 20 0 BCADLP C[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000747985559 583416948 /nfs/dbraw/zinc/41/69/48/583416948.db2.gz JQNYWXMTZJTHGT-VXGBXAGGSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000747985559 583416950 /nfs/dbraw/zinc/41/69/50/583416950.db2.gz JQNYWXMTZJTHGT-VXGBXAGGSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC000747985559 583416951 /nfs/dbraw/zinc/41/69/51/583416951.db2.gz JQNYWXMTZJTHGT-VXGBXAGGSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000747985559 583416953 /nfs/dbraw/zinc/41/69/53/583416953.db2.gz JQNYWXMTZJTHGT-VXGBXAGGSA-N 2 2 239.363 0.633 20 0 BCADLP C[NH+](C)CCn1ccc(NCc2c[nH+]c[nH]2)n1 ZINC000894330935 583424973 /nfs/dbraw/zinc/42/49/73/583424973.db2.gz ZBQKVCZNXWPNMW-UHFFFAOYSA-N 2 2 234.307 0.780 20 0 BCADLP C[NH+](C)CCn1ccc(NCc2c[nH]c[nH+]2)n1 ZINC000894330935 583424975 /nfs/dbraw/zinc/42/49/75/583424975.db2.gz ZBQKVCZNXWPNMW-UHFFFAOYSA-N 2 2 234.307 0.780 20 0 BCADLP C[C@@H]1CC[N@H+](CN2CCC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000857235231 588899357 /nfs/dbraw/zinc/89/93/57/588899357.db2.gz PQDVEMAFCJUPKK-NEPJUHHUSA-N 2 2 248.330 0.956 20 0 BCADLP C[C@@H]1CC[N@@H+](CN2CCC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000857235231 588899358 /nfs/dbraw/zinc/89/93/58/588899358.db2.gz PQDVEMAFCJUPKK-NEPJUHHUSA-N 2 2 248.330 0.956 20 0 BCADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)C(=O)NCc1ccco1 ZINC000894394711 583447182 /nfs/dbraw/zinc/44/71/82/583447182.db2.gz STRZXBBPIVHZPS-VIFPVBQESA-N 2 2 248.286 0.797 20 0 BCADLP Cc1ncoc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000894469979 583468911 /nfs/dbraw/zinc/46/89/11/583468911.db2.gz SHEHIRCRCPMZLE-NSHDSACASA-N 2 2 225.292 0.139 20 0 BCADLP Cc1ncoc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000894469979 583468914 /nfs/dbraw/zinc/46/89/14/583468914.db2.gz SHEHIRCRCPMZLE-NSHDSACASA-N 2 2 225.292 0.139 20 0 BCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1CCC(=O)O1 ZINC000880140947 583473759 /nfs/dbraw/zinc/47/37/59/583473759.db2.gz FVDBMFSJSNRIKT-SDDRHHMPSA-N 2 2 238.331 0.861 20 0 BCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1CCC(=O)O1 ZINC000880140947 583473761 /nfs/dbraw/zinc/47/37/61/583473761.db2.gz FVDBMFSJSNRIKT-SDDRHHMPSA-N 2 2 238.331 0.861 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1CCC(=O)O1 ZINC000880140947 583473763 /nfs/dbraw/zinc/47/37/63/583473763.db2.gz FVDBMFSJSNRIKT-SDDRHHMPSA-N 2 2 238.331 0.861 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1CCC(=O)O1 ZINC000880140947 583473765 /nfs/dbraw/zinc/47/37/65/583473765.db2.gz FVDBMFSJSNRIKT-SDDRHHMPSA-N 2 2 238.331 0.861 20 0 BCADLP C[N@@H+]1CCOC[C@@H]1CNc1nccn2c[nH+]cc12 ZINC000894762152 583518421 /nfs/dbraw/zinc/51/84/21/583518421.db2.gz ZMEOVJAQXSNUGJ-JTQLQIEISA-N 2 2 247.302 0.472 20 0 BCADLP C[N@H+]1CCOC[C@@H]1CNc1nccn2c[nH+]cc12 ZINC000894762152 583518422 /nfs/dbraw/zinc/51/84/22/583518422.db2.gz ZMEOVJAQXSNUGJ-JTQLQIEISA-N 2 2 247.302 0.472 20 0 BCADLP CC[C@H]([NH2+]Cc1c[nH+]c[nH]1)[C@@H](O)C(F)F ZINC000894881633 583544355 /nfs/dbraw/zinc/54/43/55/583544355.db2.gz SAIAZFZNOQITKB-JGVFFNPUSA-N 2 2 219.235 0.904 20 0 BCADLP CO[C@H]1COCC[C@H]1C[NH2+]Cc1c[nH+]c[nH]1 ZINC000894889609 583547946 /nfs/dbraw/zinc/54/79/46/583547946.db2.gz VSMSVDJSKBCVAB-ONGXEEELSA-N 2 2 225.292 0.551 20 0 BCADLP CO[C@@H](C[NH2+]Cc1c[nH+]c[nH]1)[C@H]1CCOC1 ZINC000895226292 583628733 /nfs/dbraw/zinc/62/87/33/583628733.db2.gz OKMZLOGNCNHYEN-ONGXEEELSA-N 2 2 225.292 0.551 20 0 BCADLP CO[C@@H](C[NH2+]Cc1c[nH+]c[nH]1)[C@@H]1CCOC1 ZINC000895226289 583628824 /nfs/dbraw/zinc/62/88/24/583628824.db2.gz OKMZLOGNCNHYEN-KOLCDFICSA-N 2 2 225.292 0.551 20 0 BCADLP CCc1c[nH]c2nc[nH+]c(N3CC=C(N)[NH2+]3)c12 ZINC000895247858 583632502 /nfs/dbraw/zinc/63/25/02/583632502.db2.gz JJGXZRGLULMQCY-UHFFFAOYSA-N 2 2 230.275 0.645 20 0 BCADLP Cn1c[nH+]cc1C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000895319420 583649604 /nfs/dbraw/zinc/64/96/04/583649604.db2.gz XQMNLMKBHLLAAL-VIFPVBQESA-N 2 2 222.292 0.034 20 0 BCADLP COC(=O)[C@H]1C[C@H]([NH2+]Cc2c[nH+]c[nH]2)C1 ZINC000895349205 583656136 /nfs/dbraw/zinc/65/61/36/583656136.db2.gz CDVVJGHAZKKGEI-ZKCHVHJHSA-N 2 2 209.249 0.451 20 0 BCADLP C[N@H+](CC1C[NH+](C)C1)C[C@H]1COC(C)(C)O1 ZINC000895361640 583658931 /nfs/dbraw/zinc/65/89/31/583658931.db2.gz BUZZJWZZZCQZBZ-NSHDSACASA-N 2 2 228.336 0.631 20 0 BCADLP C[N@@H+](CC1C[NH+](C)C1)C[C@H]1COC(C)(C)O1 ZINC000895361640 583658932 /nfs/dbraw/zinc/65/89/32/583658932.db2.gz BUZZJWZZZCQZBZ-NSHDSACASA-N 2 2 228.336 0.631 20 0 BCADLP COC(=O)C1=CC[C@H]([NH2+]Cc2c[nH+]c[nH]2)C1 ZINC000895390639 583664136 /nfs/dbraw/zinc/66/41/36/583664136.db2.gz OEUJJBGDWWQITJ-VIFPVBQESA-N 2 2 221.260 0.761 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000895608306 583695281 /nfs/dbraw/zinc/69/52/81/583695281.db2.gz JMWGHEHALYUEEM-LLVKDONJSA-N 2 2 248.330 0.704 20 0 BCADLP C[N@H+]1CCC[C@@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000895608306 583695282 /nfs/dbraw/zinc/69/52/82/583695282.db2.gz JMWGHEHALYUEEM-LLVKDONJSA-N 2 2 248.330 0.704 20 0 BCADLP Cc1cc(CO)cc(NC[C@@H]2CC[N@H+]2C)[nH+]1 ZINC000895769281 583724518 /nfs/dbraw/zinc/72/45/18/583724518.db2.gz QNRXDGANHPYVJZ-NSHDSACASA-N 2 2 221.304 0.998 20 0 BCADLP Cc1cc(CO)cc(NC[C@@H]2CC[N@@H+]2C)[nH+]1 ZINC000895769281 583724519 /nfs/dbraw/zinc/72/45/19/583724519.db2.gz QNRXDGANHPYVJZ-NSHDSACASA-N 2 2 221.304 0.998 20 0 BCADLP C[N@@H+]1CC[C@@H]1CNc1cc(-n2cc[nH+]c2)ncn1 ZINC000895771150 583725426 /nfs/dbraw/zinc/72/54/26/583725426.db2.gz HXRLGMYQGNVFJH-SNVBAGLBSA-N 2 2 244.302 0.778 20 0 BCADLP C[N@H+]1CC[C@@H]1CNc1cc(-n2cc[nH+]c2)ncn1 ZINC000895771150 583725427 /nfs/dbraw/zinc/72/54/27/583725427.db2.gz HXRLGMYQGNVFJH-SNVBAGLBSA-N 2 2 244.302 0.778 20 0 BCADLP CCC[N@H+](C)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857986092 588929092 /nfs/dbraw/zinc/92/90/92/588929092.db2.gz LQDGXQOUDCPDNJ-JTQLQIEISA-N 2 2 236.319 0.786 20 0 BCADLP CCC[N@@H+](C)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857986092 588929093 /nfs/dbraw/zinc/92/90/93/588929093.db2.gz LQDGXQOUDCPDNJ-JTQLQIEISA-N 2 2 236.319 0.786 20 0 BCADLP CC(=O)OC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000896552721 583811058 /nfs/dbraw/zinc/81/10/58/583811058.db2.gz HHCFZNUVYUKUKT-QXEWZRGKSA-N 2 2 214.309 0.620 20 0 BCADLP CC(=O)OC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000896552721 583811060 /nfs/dbraw/zinc/81/10/60/583811060.db2.gz HHCFZNUVYUKUKT-QXEWZRGKSA-N 2 2 214.309 0.620 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCOC1 ZINC000896553691 583811512 /nfs/dbraw/zinc/81/15/12/583811512.db2.gz GFISRCWABGMDBN-FDYHWXHSSA-N 2 2 242.363 0.720 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCOC1 ZINC000896553691 583811513 /nfs/dbraw/zinc/81/15/13/583811513.db2.gz GFISRCWABGMDBN-FDYHWXHSSA-N 2 2 242.363 0.720 20 0 BCADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCNC(=O)CC2)CC[N@@H+]1C ZINC000896555168 583811890 /nfs/dbraw/zinc/81/18/90/583811890.db2.gz NPMLHYCHJAQQBG-VWYCJHECSA-N 2 2 225.336 0.337 20 0 BCADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCNC(=O)CC2)CC[N@H+]1C ZINC000896555168 583811891 /nfs/dbraw/zinc/81/18/91/583811891.db2.gz NPMLHYCHJAQQBG-VWYCJHECSA-N 2 2 225.336 0.337 20 0 BCADLP CC[C@H](C(=O)NCc1[nH]c(C)c(C)[nH+]1)[NH+](C)C ZINC000896917575 583855945 /nfs/dbraw/zinc/85/59/45/583855945.db2.gz ZYBUOHFTUPUKDH-SNVBAGLBSA-N 2 2 238.335 0.983 20 0 BCADLP C[NH+](C)CCCCC(=O)NC1=[NH+]CCS1 ZINC000729284166 583989594 /nfs/dbraw/zinc/98/95/94/583989594.db2.gz VSBUMKPSSQKXOD-UHFFFAOYSA-N 2 2 229.349 0.937 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2C[C@H](C)[C@H](O)C2)n1C ZINC000897679932 584037534 /nfs/dbraw/zinc/03/75/34/584037534.db2.gz NFYHIPWAFJUWME-GZMMTYOYSA-N 2 2 209.293 0.541 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](C)[C@H](O)C2)n1C ZINC000897679932 584037536 /nfs/dbraw/zinc/03/75/36/584037536.db2.gz NFYHIPWAFJUWME-GZMMTYOYSA-N 2 2 209.293 0.541 20 0 BCADLP C[C@@H]1C[N@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@@H]1O ZINC000897678989 584037610 /nfs/dbraw/zinc/03/76/10/584037610.db2.gz GUBHOFFDHLLQHI-KOLCDFICSA-N 2 2 238.335 0.299 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@@H]1O ZINC000897678989 584037611 /nfs/dbraw/zinc/03/76/11/584037611.db2.gz GUBHOFFDHLLQHI-KOLCDFICSA-N 2 2 238.335 0.299 20 0 BCADLP Cn1c[nH+]c(CCNc2cc[nH+]c(CO)c2)c1 ZINC000858566868 588967002 /nfs/dbraw/zinc/96/70/02/588967002.db2.gz ITCYFDKDXZCRGL-UHFFFAOYSA-N 2 2 232.287 0.962 20 0 BCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900010369 584265800 /nfs/dbraw/zinc/26/58/00/584265800.db2.gz XXYMRDGNJBPWEY-NSHDSACASA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900010369 584265801 /nfs/dbraw/zinc/26/58/01/584265801.db2.gz XXYMRDGNJBPWEY-NSHDSACASA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900010369 584265802 /nfs/dbraw/zinc/26/58/02/584265802.db2.gz XXYMRDGNJBPWEY-NSHDSACASA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@H+]1CCC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900010369 584265803 /nfs/dbraw/zinc/26/58/03/584265803.db2.gz XXYMRDGNJBPWEY-NSHDSACASA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900306057 584293147 /nfs/dbraw/zinc/29/31/47/584293147.db2.gz OMEZPDHZLVAZHL-JTQLQIEISA-N 2 2 236.319 0.410 20 0 BCADLP CC[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900306057 584293148 /nfs/dbraw/zinc/29/31/48/584293148.db2.gz OMEZPDHZLVAZHL-JTQLQIEISA-N 2 2 236.319 0.410 20 0 BCADLP CC[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900306057 584293150 /nfs/dbraw/zinc/29/31/50/584293150.db2.gz OMEZPDHZLVAZHL-JTQLQIEISA-N 2 2 236.319 0.410 20 0 BCADLP CC[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900306057 584293153 /nfs/dbraw/zinc/29/31/53/584293153.db2.gz OMEZPDHZLVAZHL-JTQLQIEISA-N 2 2 236.319 0.410 20 0 BCADLP C[NH+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900523031 584318337 /nfs/dbraw/zinc/31/83/37/584318337.db2.gz LJNXYNOGIOHIOK-LLVKDONJSA-N 2 2 236.319 0.505 20 0 BCADLP CC[C@H](C)[N@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900522697 584318524 /nfs/dbraw/zinc/31/85/24/584318524.db2.gz GUSWGLFMQKPBOA-JTQLQIEISA-N 2 2 238.335 0.799 20 0 BCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900522697 584318526 /nfs/dbraw/zinc/31/85/26/584318526.db2.gz GUSWGLFMQKPBOA-JTQLQIEISA-N 2 2 238.335 0.799 20 0 BCADLP CC[C@H](C)[N@H+](C)CCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900522697 584318527 /nfs/dbraw/zinc/31/85/27/584318527.db2.gz GUSWGLFMQKPBOA-JTQLQIEISA-N 2 2 238.335 0.799 20 0 BCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900522697 584318529 /nfs/dbraw/zinc/31/85/29/584318529.db2.gz GUSWGLFMQKPBOA-JTQLQIEISA-N 2 2 238.335 0.799 20 0 BCADLP C[N@@H+]1CCC[C@@H](NC(=O)CNc2cccc[nH+]2)C1 ZINC000900589537 584328780 /nfs/dbraw/zinc/32/87/80/584328780.db2.gz KWKLPHWYUHHMDH-LLVKDONJSA-N 2 2 248.330 0.704 20 0 BCADLP C[N@H+]1CCC[C@@H](NC(=O)CNc2cccc[nH+]2)C1 ZINC000900589537 584328782 /nfs/dbraw/zinc/32/87/82/584328782.db2.gz KWKLPHWYUHHMDH-LLVKDONJSA-N 2 2 248.330 0.704 20 0 BCADLP C[C@H](CC[NH+](C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900694471 584339198 /nfs/dbraw/zinc/33/91/98/584339198.db2.gz IRDQPEIBFJWPBR-SECBINFHSA-N 2 2 224.308 0.409 20 0 BCADLP C[C@H](CC[NH+](C)C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900694471 584339200 /nfs/dbraw/zinc/33/92/00/584339200.db2.gz IRDQPEIBFJWPBR-SECBINFHSA-N 2 2 224.308 0.409 20 0 BCADLP Cc1cc(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)cc[nH+]1 ZINC000900673990 584340237 /nfs/dbraw/zinc/34/02/37/584340237.db2.gz VHZHEPYMMZAOCD-WCQYABFASA-N 2 2 249.314 0.206 20 0 BCADLP Cc1cc(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)cc[nH+]1 ZINC000900673990 584340239 /nfs/dbraw/zinc/34/02/39/584340239.db2.gz VHZHEPYMMZAOCD-WCQYABFASA-N 2 2 249.314 0.206 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902365344 584573079 /nfs/dbraw/zinc/57/30/79/584573079.db2.gz ZGRIWBZLOIEINE-NWDGAFQWSA-N 3 2 243.395 0.277 20 0 BCADLP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000902407822 584574854 /nfs/dbraw/zinc/57/48/54/584574854.db2.gz VMSQUTPSMOZBRS-IJLUTSLNSA-N 3 2 223.364 0.988 20 0 BCADLP Cc1cc([C@H](C)[NH2+]CC2([NH3+])CC2)n(C)n1 ZINC000902407149 584575107 /nfs/dbraw/zinc/57/51/07/584575107.db2.gz PRPXIPBPUFJUCE-VIFPVBQESA-N 2 2 208.309 0.870 20 0 BCADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC2([NH3+])CC2)C1 ZINC000902411393 584576128 /nfs/dbraw/zinc/57/61/28/584576128.db2.gz ZBAQXAONZMTTQW-SNVBAGLBSA-N 3 2 211.353 0.846 20 0 BCADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2C[NH2+]CCO2)C1 ZINC000902394299 584584181 /nfs/dbraw/zinc/58/41/81/584584181.db2.gz UPPZYNJZCZDJJC-VXGBXAGGSA-N 3 2 241.379 0.343 20 0 BCADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]CC1([NH3+])CC1 ZINC000902405537 584589951 /nfs/dbraw/zinc/58/99/51/584589951.db2.gz IOLYHWFBGQMWDU-SNVBAGLBSA-N 2 2 220.320 0.878 20 0 BCADLP CC1(C)C[NH2+]C[C@H]1N[C@@H]1CCn2cc[nH+]c21 ZINC000902440882 584597747 /nfs/dbraw/zinc/59/77/47/584597747.db2.gz AYGUGRCBKMRDGT-NXEZZACHSA-N 2 2 220.320 0.916 20 0 BCADLP CC1(C)CCC[C@H](C[NH2+][C@@H]2C[NH2+]CCOC2)O1 ZINC000902460872 584611478 /nfs/dbraw/zinc/61/14/78/584611478.db2.gz JRFYNECGWHLWEI-VXGBXAGGSA-N 2 2 242.363 0.912 20 0 BCADLP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902460597 584611625 /nfs/dbraw/zinc/61/16/25/584611625.db2.gz HLCMVSWISFISSM-KSSYENDESA-N 3 2 223.364 0.986 20 0 BCADLP Cn1cnc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000902462980 584612210 /nfs/dbraw/zinc/61/22/10/584612210.db2.gz YLMPJBHIFKXFDR-MNOVXSKESA-N 2 2 220.320 0.780 20 0 BCADLP C[C@H]([NH2+]Cc1csc(N)n1)C1C[NH2+]C1 ZINC000902501534 584620412 /nfs/dbraw/zinc/62/04/12/584620412.db2.gz PXYFRCBXSKDTPU-LURJTMIESA-N 2 2 212.322 0.423 20 0 BCADLP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cnn(C)c1 ZINC000902465990 584613881 /nfs/dbraw/zinc/61/38/81/584613881.db2.gz IFDKDDGSIGVVKD-SASUGWTJSA-N 2 2 220.320 0.964 20 0 BCADLP C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1[nH]cc[nH+]1 ZINC000902469658 584615348 /nfs/dbraw/zinc/61/53/48/584615348.db2.gz ZTMZZJONQCLQGJ-DOLQZWNJSA-N 2 2 206.293 0.953 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902490170 584617490 /nfs/dbraw/zinc/61/74/90/584617490.db2.gz UGVVJMMALKVZPM-NXEZZACHSA-N 2 2 213.325 0.372 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902490172 584617649 /nfs/dbraw/zinc/61/76/49/584617649.db2.gz UGVVJMMALKVZPM-VHSXEESVSA-N 2 2 213.325 0.372 20 0 BCADLP CNc1ccccc1C[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000902627260 584646505 /nfs/dbraw/zinc/64/65/05/584646505.db2.gz RWYZQXNDGDHOJE-ZDUSSCGKSA-N 2 2 249.358 0.885 20 0 BCADLP CNc1ccccc1C[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000902627260 584646506 /nfs/dbraw/zinc/64/65/06/584646506.db2.gz RWYZQXNDGDHOJE-ZDUSSCGKSA-N 2 2 249.358 0.885 20 0 BCADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cn(C)nn1 ZINC000902993951 584711420 /nfs/dbraw/zinc/71/14/20/584711420.db2.gz ZIOHEUGMHWWCDC-BDAKNGLRSA-N 2 2 246.318 0.746 20 0 BCADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cn(C)nn1 ZINC000902993951 584711421 /nfs/dbraw/zinc/71/14/21/584711421.db2.gz ZIOHEUGMHWWCDC-BDAKNGLRSA-N 2 2 246.318 0.746 20 0 BCADLP CC(F)(F)CCC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000903464087 584767441 /nfs/dbraw/zinc/76/74/41/584767441.db2.gz YULNFHOPRMOQAJ-VIFPVBQESA-N 2 2 240.294 0.036 20 0 BCADLP C[NH+](C)C1(C[NH2+][C@@H]2CCO[C@@]23CCOC3)CC1 ZINC000903189637 584736029 /nfs/dbraw/zinc/73/60/29/584736029.db2.gz FHOXZMXTISYGBQ-DGCLKSJQSA-N 2 2 240.347 0.618 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000903217419 584737372 /nfs/dbraw/zinc/73/73/72/584737372.db2.gz ALUCVVSMFCIHKX-GRYCIOLGSA-N 2 2 239.363 0.395 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000903217419 584737373 /nfs/dbraw/zinc/73/73/73/584737373.db2.gz ALUCVVSMFCIHKX-GRYCIOLGSA-N 2 2 239.363 0.395 20 0 BCADLP NC(=O)C1([NH2+]C[C@H]2CCC[NH2+]2)CCCCC1 ZINC000903441566 584763877 /nfs/dbraw/zinc/76/38/77/584763877.db2.gz YLPKZNPMNXRANG-SNVBAGLBSA-N 2 2 225.336 0.516 20 0 BCADLP C[C@@H](c1ncccn1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000903422871 584764426 /nfs/dbraw/zinc/76/44/26/584764426.db2.gz KSNYCZZTOQJCON-LBPRGKRZSA-N 2 2 249.362 0.375 20 0 BCADLP C[C@@H](c1ncccn1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000903422871 584764428 /nfs/dbraw/zinc/76/44/28/584764428.db2.gz KSNYCZZTOQJCON-LBPRGKRZSA-N 2 2 249.362 0.375 20 0 BCADLP CON1CC[C@H]([N@H+](C)CC[C@@H]([NH3+])C(C)C)C1=O ZINC000903424843 584764928 /nfs/dbraw/zinc/76/49/28/584764928.db2.gz ITYOUFLWTNWWJG-MNOVXSKESA-N 2 2 243.351 0.454 20 0 BCADLP CON1CC[C@H]([N@@H+](C)CC[C@@H]([NH3+])C(C)C)C1=O ZINC000903424843 584764929 /nfs/dbraw/zinc/76/49/29/584764929.db2.gz ITYOUFLWTNWWJG-MNOVXSKESA-N 2 2 243.351 0.454 20 0 BCADLP CC(F)(F)CCC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000903464087 584767440 /nfs/dbraw/zinc/76/74/40/584767440.db2.gz YULNFHOPRMOQAJ-VIFPVBQESA-N 2 2 240.294 0.036 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCC[NH2+]3)C[C@H]21 ZINC000903447147 584770437 /nfs/dbraw/zinc/77/04/37/584770437.db2.gz GXPCBNRHXPFXEI-FDYHWXHSSA-N 3 2 223.364 0.798 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCC[NH2+]3)C[C@H]21 ZINC000903447147 584770439 /nfs/dbraw/zinc/77/04/39/584770439.db2.gz GXPCBNRHXPFXEI-FDYHWXHSSA-N 3 2 223.364 0.798 20 0 BCADLP C[C@H](c1ncccn1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903449472 584771489 /nfs/dbraw/zinc/77/14/89/584771489.db2.gz CTRAONYKROGPBA-MXWKQRLJSA-N 2 2 218.304 0.689 20 0 BCADLP C[C@H](c1ncccn1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903449472 584771490 /nfs/dbraw/zinc/77/14/90/584771490.db2.gz CTRAONYKROGPBA-MXWKQRLJSA-N 2 2 218.304 0.689 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000903454579 584773453 /nfs/dbraw/zinc/77/34/53/584773453.db2.gz CRVKRANRVGFGSQ-NAWOPXAZSA-N 3 2 225.380 0.818 20 0 BCADLP COC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903454463 584773611 /nfs/dbraw/zinc/77/36/11/584773611.db2.gz CLYCYBHSBSEFNX-VWYCJHECSA-N 2 2 226.320 0.479 20 0 BCADLP COC(=O)[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903454463 584773613 /nfs/dbraw/zinc/77/36/13/584773613.db2.gz CLYCYBHSBSEFNX-VWYCJHECSA-N 2 2 226.320 0.479 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903470815 584775258 /nfs/dbraw/zinc/77/52/58/584775258.db2.gz DHCQAKAFKBADCD-WOPDTQHZSA-N 3 2 223.364 0.716 20 0 BCADLP CN(C(=O)C[NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000903472498 584776280 /nfs/dbraw/zinc/77/62/80/584776280.db2.gz ZTCVUHLKFHJQEZ-LLVKDONJSA-N 2 2 237.347 0.481 20 0 BCADLP CN(C(=O)C[NH2+][C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000903472499 584776368 /nfs/dbraw/zinc/77/63/68/584776368.db2.gz ZTCVUHLKFHJQEZ-NSHDSACASA-N 2 2 237.347 0.481 20 0 BCADLP CON1CC[C@@H]([N@@H+]2CCCCC[C@H]([NH3+])C2)C1=O ZINC000903476637 584777207 /nfs/dbraw/zinc/77/72/07/584777207.db2.gz DFOBZHOLQZCTEB-WDEREUQCSA-N 2 2 241.335 0.352 20 0 BCADLP CON1CC[C@@H]([N@H+]2CCCCC[C@H]([NH3+])C2)C1=O ZINC000903476637 584777209 /nfs/dbraw/zinc/77/72/09/584777209.db2.gz DFOBZHOLQZCTEB-WDEREUQCSA-N 2 2 241.335 0.352 20 0 BCADLP CON1CC[C@@H]([N@@H+]2CCCCC[C@@H]([NH3+])C2)C1=O ZINC000903476634 584777471 /nfs/dbraw/zinc/77/74/71/584777471.db2.gz DFOBZHOLQZCTEB-GHMZBOCLSA-N 2 2 241.335 0.352 20 0 BCADLP CON1CC[C@@H]([N@H+]2CCCCC[C@@H]([NH3+])C2)C1=O ZINC000903476634 584777472 /nfs/dbraw/zinc/77/74/72/584777472.db2.gz DFOBZHOLQZCTEB-GHMZBOCLSA-N 2 2 241.335 0.352 20 0 BCADLP CO[C@H]1COCC[C@H]1[N@H+](C)C[C@H]1CCC[NH2+]1 ZINC000903481422 584777856 /nfs/dbraw/zinc/77/78/56/584777856.db2.gz BLNKGXVCVQTUHY-UTUOFQBUSA-N 2 2 228.336 0.474 20 0 BCADLP CO[C@H]1COCC[C@H]1[N@@H+](C)C[C@H]1CCC[NH2+]1 ZINC000903481422 584777857 /nfs/dbraw/zinc/77/78/57/584777857.db2.gz BLNKGXVCVQTUHY-UTUOFQBUSA-N 2 2 228.336 0.474 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000903482583 584778730 /nfs/dbraw/zinc/77/87/30/584778730.db2.gz LVCUGZKCTDSUPZ-LMLFDSFASA-N 3 2 211.353 0.557 20 0 BCADLP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@H]1CC[NH2+]C1 ZINC000903465161 584779265 /nfs/dbraw/zinc/77/92/65/584779265.db2.gz DYTMKCQTULNAST-WDEREUQCSA-N 3 2 209.337 0.470 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C(=O)NC1CC1 ZINC000903465049 584779307 /nfs/dbraw/zinc/77/93/07/584779307.db2.gz DHXRDYNZQTWIPN-ONGXEEELSA-N 2 2 237.347 0.528 20 0 BCADLP CC(C)CNC(=O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903465805 584779361 /nfs/dbraw/zinc/77/93/61/584779361.db2.gz MUGLGJVOOLOEHR-NSHDSACASA-N 2 2 239.363 0.633 20 0 BCADLP CS(=O)(=O)CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903484179 584779452 /nfs/dbraw/zinc/77/94/52/584779452.db2.gz OZOWFZHSQGQOFI-SNVBAGLBSA-N 2 2 246.376 0.295 20 0 BCADLP CC(C)(C)NC(=O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903466172 584780060 /nfs/dbraw/zinc/78/00/60/584780060.db2.gz QQBJFILJBBBBEC-JTQLQIEISA-N 2 2 239.363 0.775 20 0 BCADLP COC(=O)CC1(C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000903558040 584782860 /nfs/dbraw/zinc/78/28/60/584782860.db2.gz SQOBTPUDOOFGPX-SNVBAGLBSA-N 2 2 240.347 0.999 20 0 BCADLP COC(=O)CC1(C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000903558040 584782862 /nfs/dbraw/zinc/78/28/62/584782862.db2.gz SQOBTPUDOOFGPX-SNVBAGLBSA-N 2 2 240.347 0.999 20 0 BCADLP CC1(C)C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H]1[NH3+] ZINC000903557321 584783004 /nfs/dbraw/zinc/78/30/04/584783004.db2.gz NORLXDQPGZVJNM-WDEREUQCSA-N 3 2 239.363 0.177 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cnn(CCF)c2)C1 ZINC000903716539 584791921 /nfs/dbraw/zinc/79/19/21/584791921.db2.gz OLMXYIOCQHXWOP-NSHDSACASA-N 2 2 240.326 0.894 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cnn(CCF)c2)C1 ZINC000903716539 584791922 /nfs/dbraw/zinc/79/19/22/584791922.db2.gz OLMXYIOCQHXWOP-NSHDSACASA-N 2 2 240.326 0.894 20 0 BCADLP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[NH2+]CC1 ZINC000903713209 584793391 /nfs/dbraw/zinc/79/33/91/584793391.db2.gz IMXNPPGGQFQLOX-CHWSQXEVSA-N 3 2 239.363 0.050 20 0 BCADLP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[NH2+]CC1 ZINC000903713209 584793392 /nfs/dbraw/zinc/79/33/92/584793392.db2.gz IMXNPPGGQFQLOX-CHWSQXEVSA-N 3 2 239.363 0.050 20 0 BCADLP [NH3+]C1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903713366 584793812 /nfs/dbraw/zinc/79/38/12/584793812.db2.gz OLXZYTWRQGGKCO-LLVKDONJSA-N 3 2 211.353 0.799 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000903713558 584793862 /nfs/dbraw/zinc/79/38/62/584793862.db2.gz VQTOPGZPUHHFIM-LPEHRKFASA-N 2 2 212.293 0.219 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC[C@H]([NH3+])C1 ZINC000903713558 584793863 /nfs/dbraw/zinc/79/38/63/584793863.db2.gz VQTOPGZPUHHFIM-LPEHRKFASA-N 2 2 212.293 0.219 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903716216 584794412 /nfs/dbraw/zinc/79/44/12/584794412.db2.gz JRQSMPZFCKMACS-NWDGAFQWSA-N 3 2 241.379 0.424 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903716216 584794414 /nfs/dbraw/zinc/79/44/14/584794414.db2.gz JRQSMPZFCKMACS-NWDGAFQWSA-N 3 2 241.379 0.424 20 0 BCADLP Cn1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)nn1 ZINC000903751670 584795473 /nfs/dbraw/zinc/79/54/73/584795473.db2.gz LMBBDINNAXZPGY-YPMHNXCESA-N 2 2 249.362 0.779 20 0 BCADLP Cn1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)nn1 ZINC000903751670 584795475 /nfs/dbraw/zinc/79/54/75/584795475.db2.gz LMBBDINNAXZPGY-YPMHNXCESA-N 2 2 249.362 0.779 20 0 BCADLP Cn1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)nn1 ZINC000903751669 584795586 /nfs/dbraw/zinc/79/55/86/584795586.db2.gz LMBBDINNAXZPGY-WCQYABFASA-N 2 2 249.362 0.779 20 0 BCADLP Cn1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)nn1 ZINC000903751669 584795587 /nfs/dbraw/zinc/79/55/87/584795587.db2.gz LMBBDINNAXZPGY-WCQYABFASA-N 2 2 249.362 0.779 20 0 BCADLP [NH3+]C1(C[NH2+]Cc2[nH]nc3c2COCC3)CCC1 ZINC000903744250 584796666 /nfs/dbraw/zinc/79/66/66/584796666.db2.gz QPZWNKWZNHCOSM-UHFFFAOYSA-N 2 2 236.319 0.453 20 0 BCADLP C[N@H+](CC[NH3+])C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903760025 584796890 /nfs/dbraw/zinc/79/68/90/584796890.db2.gz FETSMIVDCFFLHC-NSHDSACASA-N 3 2 227.352 0.036 20 0 BCADLP C[N@@H+](CC[NH3+])C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903760025 584796891 /nfs/dbraw/zinc/79/68/91/584796891.db2.gz FETSMIVDCFFLHC-NSHDSACASA-N 3 2 227.352 0.036 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000903765870 584797125 /nfs/dbraw/zinc/79/71/25/584797125.db2.gz LRIVVDPSECMLOD-PCQVFGIUSA-N 2 2 238.331 0.609 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000903765870 584797126 /nfs/dbraw/zinc/79/71/26/584797126.db2.gz LRIVVDPSECMLOD-PCQVFGIUSA-N 2 2 238.331 0.609 20 0 BCADLP [NH3+]CC12CC(C1)C[N@@H+]2C[C@H]1CCCC[NH2+]C1 ZINC000903765903 584797537 /nfs/dbraw/zinc/79/75/37/584797537.db2.gz MIIBOCJPBMYFSE-HIFPTAJRSA-N 3 2 223.364 0.799 20 0 BCADLP [NH3+]CC12CC(C1)C[N@H+]2C[C@H]1CCCC[NH2+]C1 ZINC000903765903 584797539 /nfs/dbraw/zinc/79/75/39/584797539.db2.gz MIIBOCJPBMYFSE-HIFPTAJRSA-N 3 2 223.364 0.799 20 0 BCADLP CC[N@H+](CC[NH3+])C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903769262 584797762 /nfs/dbraw/zinc/79/77/62/584797762.db2.gz AXVFNWAJABEXOS-LBPRGKRZSA-N 3 2 241.379 0.426 20 0 BCADLP CC[N@@H+](CC[NH3+])C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903769262 584797763 /nfs/dbraw/zinc/79/77/63/584797763.db2.gz AXVFNWAJABEXOS-LBPRGKRZSA-N 3 2 241.379 0.426 20 0 BCADLP CC[N@H+](CC[NH3+])C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903769365 584798332 /nfs/dbraw/zinc/79/83/32/584798332.db2.gz DWTMHHQVPLYVDS-NEPJUHHUSA-N 3 2 227.352 0.036 20 0 BCADLP CC[N@@H+](CC[NH3+])C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903769365 584798333 /nfs/dbraw/zinc/79/83/33/584798333.db2.gz DWTMHHQVPLYVDS-NEPJUHHUSA-N 3 2 227.352 0.036 20 0 BCADLP CC[N@H+](CC[NH3+])C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903769261 584798381 /nfs/dbraw/zinc/79/83/81/584798381.db2.gz AXVFNWAJABEXOS-GFCCVEGCSA-N 3 2 241.379 0.426 20 0 BCADLP CC[N@@H+](CC[NH3+])C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903769261 584798382 /nfs/dbraw/zinc/79/83/82/584798382.db2.gz AXVFNWAJABEXOS-GFCCVEGCSA-N 3 2 241.379 0.426 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000903778229 584799679 /nfs/dbraw/zinc/79/96/79/584799679.db2.gz LGSVTUVLNWBPKL-LMLFDSFASA-N 2 2 226.320 0.607 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000903778229 584799680 /nfs/dbraw/zinc/79/96/80/584799680.db2.gz LGSVTUVLNWBPKL-LMLFDSFASA-N 2 2 226.320 0.607 20 0 BCADLP CC1CC(CN2CC[NH2+]CC[NH2+]CC2)C1 ZINC000903786166 584800238 /nfs/dbraw/zinc/80/02/38/584800238.db2.gz FTVQJNNUYXTBOO-UHFFFAOYSA-N 2 2 211.353 0.527 20 0 BCADLP c1nnn2c1C[N@H+](C[C@H]1CCCC[NH2+]C1)CCC2 ZINC000903784074 584800331 /nfs/dbraw/zinc/80/03/31/584800331.db2.gz KPJMFXZDIJNWPI-LBPRGKRZSA-N 2 2 249.362 0.874 20 0 BCADLP c1nnn2c1C[N@@H+](C[C@H]1CCCC[NH2+]C1)CCC2 ZINC000903784074 584800332 /nfs/dbraw/zinc/80/03/32/584800332.db2.gz KPJMFXZDIJNWPI-LBPRGKRZSA-N 2 2 249.362 0.874 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000903782331 584800476 /nfs/dbraw/zinc/80/04/76/584800476.db2.gz KWYOQXTULVXLES-TUAOUCFPSA-N 3 2 241.379 0.159 20 0 BCADLP [NH3+]CCOCC[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903799994 584801679 /nfs/dbraw/zinc/80/16/79/584801679.db2.gz FUBCXGPVODSZNC-RYUDHWBXSA-N 3 2 227.352 0.165 20 0 BCADLP [NH3+]CCOCC[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903799994 584801681 /nfs/dbraw/zinc/80/16/81/584801681.db2.gz FUBCXGPVODSZNC-RYUDHWBXSA-N 3 2 227.352 0.165 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000903824398 584804506 /nfs/dbraw/zinc/80/45/06/584804506.db2.gz PZCALANERMXUKO-OLZOCXBDSA-N 2 2 242.363 0.723 20 0 BCADLP C[NH2+]CCC[N@H+]1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000903824398 584804507 /nfs/dbraw/zinc/80/45/07/584804507.db2.gz PZCALANERMXUKO-OLZOCXBDSA-N 2 2 242.363 0.723 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000903840972 584807133 /nfs/dbraw/zinc/80/71/33/584807133.db2.gz VMWBYSCCYAVUKF-LMLFDSFASA-N 2 2 216.300 0.247 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000903840972 584807134 /nfs/dbraw/zinc/80/71/34/584807134.db2.gz VMWBYSCCYAVUKF-LMLFDSFASA-N 2 2 216.300 0.247 20 0 BCADLP Cn1cc(CC[N@@H+]2CCC[C@]23CC[NH2+]C3)cn1 ZINC000903868512 584807498 /nfs/dbraw/zinc/80/74/98/584807498.db2.gz ZKRPYCBNVDOLRG-CYBMUJFWSA-N 2 2 234.347 0.791 20 0 BCADLP Cn1cc(CC[N@H+]2CCC[C@]23CC[NH2+]C3)cn1 ZINC000903868512 584807499 /nfs/dbraw/zinc/80/74/99/584807499.db2.gz ZKRPYCBNVDOLRG-CYBMUJFWSA-N 2 2 234.347 0.791 20 0 BCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2Cc1ccno1 ZINC000903853208 584808356 /nfs/dbraw/zinc/80/83/56/584808356.db2.gz DFSPUKBAYCGMRS-MWLCHTKSSA-N 2 2 207.277 0.988 20 0 BCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2Cc1ccno1 ZINC000903853208 584808357 /nfs/dbraw/zinc/80/83/57/584808357.db2.gz DFSPUKBAYCGMRS-MWLCHTKSSA-N 2 2 207.277 0.988 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903853554 584808381 /nfs/dbraw/zinc/80/83/81/584808381.db2.gz FXUOGYCLFNPAQJ-AAEUAGOBSA-N 2 2 239.363 0.668 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903853554 584808382 /nfs/dbraw/zinc/80/83/82/584808382.db2.gz FXUOGYCLFNPAQJ-AAEUAGOBSA-N 2 2 239.363 0.668 20 0 BCADLP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCn1cncn1 ZINC000903855075 584808615 /nfs/dbraw/zinc/80/86/15/584808615.db2.gz LCCDLFOLJVPMLJ-QWRGUYRKSA-N 2 2 221.308 0.091 20 0 BCADLP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCn1cncn1 ZINC000903855075 584808616 /nfs/dbraw/zinc/80/86/16/584808616.db2.gz LCCDLFOLJVPMLJ-QWRGUYRKSA-N 2 2 221.308 0.091 20 0 BCADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCn1cncn1 ZINC000903855074 584809077 /nfs/dbraw/zinc/80/90/77/584809077.db2.gz LCCDLFOLJVPMLJ-MNOVXSKESA-N 2 2 221.308 0.091 20 0 BCADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCn1cncn1 ZINC000903855074 584809078 /nfs/dbraw/zinc/80/90/78/584809078.db2.gz LCCDLFOLJVPMLJ-MNOVXSKESA-N 2 2 221.308 0.091 20 0 BCADLP COC(=O)CCC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903857314 584809893 /nfs/dbraw/zinc/80/98/93/584809893.db2.gz DFADYPAQBHCNMJ-CMPLNLGQSA-N 2 2 226.320 0.753 20 0 BCADLP COC(=O)CCC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903857314 584809894 /nfs/dbraw/zinc/80/98/94/584809894.db2.gz DFADYPAQBHCNMJ-CMPLNLGQSA-N 2 2 226.320 0.753 20 0 BCADLP COC(=O)CCC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903857323 584810102 /nfs/dbraw/zinc/81/01/02/584810102.db2.gz DFADYPAQBHCNMJ-ZYHUDNBSSA-N 2 2 226.320 0.753 20 0 BCADLP COC(=O)CCC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903857323 584810103 /nfs/dbraw/zinc/81/01/03/584810103.db2.gz DFADYPAQBHCNMJ-ZYHUDNBSSA-N 2 2 226.320 0.753 20 0 BCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@H](O)C(F)(F)F ZINC000903856973 584810404 /nfs/dbraw/zinc/81/04/04/584810404.db2.gz BPHCYXCGFZSXFZ-HRDYMLBCSA-N 2 2 238.253 0.723 20 0 BCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@H](O)C(F)(F)F ZINC000903856973 584810406 /nfs/dbraw/zinc/81/04/06/584810406.db2.gz BPHCYXCGFZSXFZ-HRDYMLBCSA-N 2 2 238.253 0.723 20 0 BCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CC(=O)N1CCCC1 ZINC000903859234 584811119 /nfs/dbraw/zinc/81/11/19/584811119.db2.gz LSCXOELHGXBOBL-DGCLKSJQSA-N 2 2 237.347 0.422 20 0 BCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CC(=O)N1CCCC1 ZINC000903859234 584811121 /nfs/dbraw/zinc/81/11/21/584811121.db2.gz LSCXOELHGXBOBL-DGCLKSJQSA-N 2 2 237.347 0.422 20 0 BCADLP CCOCC[C@@H](O)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869860 584814336 /nfs/dbraw/zinc/81/43/36/584814336.db2.gz JPJBXIGLHQLPTJ-OLZOCXBDSA-N 2 2 242.363 0.602 20 0 BCADLP CCOCC[C@@H](O)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869860 584814337 /nfs/dbraw/zinc/81/43/37/584814337.db2.gz JPJBXIGLHQLPTJ-OLZOCXBDSA-N 2 2 242.363 0.602 20 0 BCADLP CSC[C@@H](O)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869336 584814746 /nfs/dbraw/zinc/81/47/46/584814746.db2.gz HCBJBKZRJMKGIF-QWRGUYRKSA-N 2 2 230.377 0.538 20 0 BCADLP CSC[C@@H](O)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869336 584814748 /nfs/dbraw/zinc/81/47/48/584814748.db2.gz HCBJBKZRJMKGIF-QWRGUYRKSA-N 2 2 230.377 0.538 20 0 BCADLP CCOCC[C@H](O)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869862 584814907 /nfs/dbraw/zinc/81/49/07/584814907.db2.gz JPJBXIGLHQLPTJ-STQMWFEESA-N 2 2 242.363 0.602 20 0 BCADLP CCOCC[C@H](O)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869862 584814908 /nfs/dbraw/zinc/81/49/08/584814908.db2.gz JPJBXIGLHQLPTJ-STQMWFEESA-N 2 2 242.363 0.602 20 0 BCADLP COC[C@H](C[N@@H+]1CCC[C@@]12CC[NH2+]C2)OC ZINC000903871838 584814948 /nfs/dbraw/zinc/81/49/48/584814948.db2.gz WFKNIDMROOEDBL-RYUDHWBXSA-N 2 2 228.336 0.476 20 0 BCADLP COC[C@H](C[N@H+]1CCC[C@@]12CC[NH2+]C2)OC ZINC000903871838 584814949 /nfs/dbraw/zinc/81/49/49/584814949.db2.gz WFKNIDMROOEDBL-RYUDHWBXSA-N 2 2 228.336 0.476 20 0 BCADLP C(C[N@@H+]1CCC[C@]12CC[NH2+]C2)OC1CC1 ZINC000903872201 584815396 /nfs/dbraw/zinc/81/53/96/584815396.db2.gz WYSIHUKQBOCTOD-GFCCVEGCSA-N 2 2 210.321 0.993 20 0 BCADLP C(C[N@H+]1CCC[C@]12CC[NH2+]C2)OC1CC1 ZINC000903872201 584815397 /nfs/dbraw/zinc/81/53/97/584815397.db2.gz WYSIHUKQBOCTOD-GFCCVEGCSA-N 2 2 210.321 0.993 20 0 BCADLP COC(=O)[C@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903883855 584818412 /nfs/dbraw/zinc/81/84/12/584818412.db2.gz KQLVCGJFITXRAG-YUMQZZPRSA-N 2 2 236.262 0.464 20 0 BCADLP COC(=O)[C@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903883855 584818413 /nfs/dbraw/zinc/81/84/13/584818413.db2.gz KQLVCGJFITXRAG-YUMQZZPRSA-N 2 2 236.262 0.464 20 0 BCADLP [NH3+][C@@H](CC(F)F)C[N@H+](CCO)C1CC1 ZINC000903884419 584818925 /nfs/dbraw/zinc/81/89/25/584818925.db2.gz ZNGPRCVCLPIYHG-ZETCQYMHSA-N 2 2 208.252 0.426 20 0 BCADLP [NH3+][C@@H](CC(F)F)C[N@@H+](CCO)C1CC1 ZINC000903884419 584818926 /nfs/dbraw/zinc/81/89/26/584818926.db2.gz ZNGPRCVCLPIYHG-ZETCQYMHSA-N 2 2 208.252 0.426 20 0 BCADLP C[C@@]1(CO)CCC[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000903908754 584821493 /nfs/dbraw/zinc/82/14/93/584821493.db2.gz PEXUFJSHGNMEHK-SCZZXKLOSA-N 2 2 222.279 0.816 20 0 BCADLP C[C@@]1(CO)CCC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000903908754 584821494 /nfs/dbraw/zinc/82/14/94/584821494.db2.gz PEXUFJSHGNMEHK-SCZZXKLOSA-N 2 2 222.279 0.816 20 0 BCADLP C[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)[C@@H]1CO ZINC000903909737 584822081 /nfs/dbraw/zinc/82/20/81/584822081.db2.gz YFHQNBVOZLWGDL-IWSPIJDZSA-N 2 2 222.279 0.672 20 0 BCADLP C[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)[C@@H]1CO ZINC000903909737 584822082 /nfs/dbraw/zinc/82/20/82/584822082.db2.gz YFHQNBVOZLWGDL-IWSPIJDZSA-N 2 2 222.279 0.672 20 0 BCADLP C[C@@]1(C[NH2+]C[C@H]([NH3+])CC(F)F)CCC[NH2+]C1 ZINC000903921006 584823030 /nfs/dbraw/zinc/82/30/30/584823030.db2.gz ZLKKEOHGCZSGBK-MWLCHTKSSA-N 3 2 235.322 0.948 20 0 BCADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@H]1CCO ZINC000903929639 584824148 /nfs/dbraw/zinc/82/41/48/584824148.db2.gz IIOXIJOQCILLRP-IUCAKERBSA-N 2 2 222.279 0.816 20 0 BCADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@H]1CCO ZINC000903929639 584824149 /nfs/dbraw/zinc/82/41/49/584824149.db2.gz IIOXIJOQCILLRP-IUCAKERBSA-N 2 2 222.279 0.816 20 0 BCADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@@H]1CCO ZINC000903929638 584824588 /nfs/dbraw/zinc/82/45/88/584824588.db2.gz IIOXIJOQCILLRP-DTWKUNHWSA-N 2 2 222.279 0.816 20 0 BCADLP CC(=O)NCC[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903932251 584825286 /nfs/dbraw/zinc/82/52/86/584825286.db2.gz PPKMCNHQHMUBAB-QMMMGPOBSA-N 2 2 223.267 0.037 20 0 BCADLP CC(=O)NCC[N@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903932251 584825287 /nfs/dbraw/zinc/82/52/87/584825287.db2.gz PPKMCNHQHMUBAB-QMMMGPOBSA-N 2 2 223.267 0.037 20 0 BCADLP COC[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000903959508 584827877 /nfs/dbraw/zinc/82/78/77/584827877.db2.gz JDYSCKREDGFTAI-AGIUHOORSA-N 2 2 242.363 0.770 20 0 BCADLP CCn1cc[nH+]c1CN[C@@H]1C[NH2+]C[C@H]1C ZINC000903960704 584828054 /nfs/dbraw/zinc/82/80/54/584828054.db2.gz VNCKHWYAYMXCLS-NXEZZACHSA-N 2 2 208.309 0.601 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000903960663 584828098 /nfs/dbraw/zinc/82/80/98/584828098.db2.gz UGSMSKFBLMZEQN-BXKDBHETSA-N 2 2 233.315 0.483 20 0 BCADLP COC(=O)c1cc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)c[nH]1 ZINC000903960670 584828304 /nfs/dbraw/zinc/82/83/04/584828304.db2.gz UMCGVFDBFSKPCE-LDYMZIIASA-N 2 2 237.303 0.499 20 0 BCADLP Nc1cc[nH+]c(C[NH2+]C2CCOCC2)c1 ZINC000903950646 584830885 /nfs/dbraw/zinc/83/08/85/584830885.db2.gz PNHVZDFAOMZCOL-UHFFFAOYSA-N 2 2 207.277 0.932 20 0 BCADLP Cn1cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cn1 ZINC000903953900 584831619 /nfs/dbraw/zinc/83/16/19/584831619.db2.gz NFVSRNJDMTWGTM-SNVBAGLBSA-N 2 2 244.289 0.755 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1nccn1C ZINC000903965119 584834755 /nfs/dbraw/zinc/83/47/55/584834755.db2.gz WAWGCVZRQRDEED-ZJUUUORDSA-N 2 2 208.309 0.365 20 0 BCADLP [NH3+]CCC[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969399 584835215 /nfs/dbraw/zinc/83/52/15/584835215.db2.gz FHVXHVKEUUAMAR-NSHDSACASA-N 3 2 227.352 0.084 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000903967685 584835223 /nfs/dbraw/zinc/83/52/23/584835223.db2.gz KQDDOERAGPWLRU-WHOHXGKFSA-N 3 2 211.353 0.430 20 0 BCADLP C[C@@]1(C[NH+]2CCC([NH3+])CC2)CCC[NH2+]C1 ZINC000904300056 584860620 /nfs/dbraw/zinc/86/06/20/584860620.db2.gz UXJJIMJAJIFLKK-GFCCVEGCSA-N 3 2 211.353 0.799 20 0 BCADLP C[N@H+](CC(=O)NC1CC1)C[C@]1(C)CCC[NH2+]C1 ZINC000904304140 584861830 /nfs/dbraw/zinc/86/18/30/584861830.db2.gz SGXSDSQZCOVULB-CYBMUJFWSA-N 2 2 239.363 0.587 20 0 BCADLP C[N@@H+](CC(=O)NC1CC1)C[C@]1(C)CCC[NH2+]C1 ZINC000904304140 584861831 /nfs/dbraw/zinc/86/18/31/584861831.db2.gz SGXSDSQZCOVULB-CYBMUJFWSA-N 2 2 239.363 0.587 20 0 BCADLP C[C@@H]([NH3+])[C@H]1C[N@H+](Cc2ccc(C[NH3+])cc2)CCO1 ZINC000904302381 584862369 /nfs/dbraw/zinc/86/23/69/584862369.db2.gz VENAMICYLXNKHT-BXUZGUMPSA-N 3 2 249.358 0.693 20 0 BCADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)CCO1 ZINC000904302381 584862370 /nfs/dbraw/zinc/86/23/70/584862370.db2.gz VENAMICYLXNKHT-BXUZGUMPSA-N 3 2 249.358 0.693 20 0 BCADLP CCCC[N@H+](CC(N)=O)C[C@@]1(C)CCC[NH2+]C1 ZINC000904313269 584863486 /nfs/dbraw/zinc/86/34/86/584863486.db2.gz XTZMLSBQAOIVCX-ZDUSSCGKSA-N 2 2 241.379 0.964 20 0 BCADLP CCCC[N@@H+](CC(N)=O)C[C@@]1(C)CCC[NH2+]C1 ZINC000904313269 584863487 /nfs/dbraw/zinc/86/34/87/584863487.db2.gz XTZMLSBQAOIVCX-ZDUSSCGKSA-N 2 2 241.379 0.964 20 0 BCADLP C[C@]1(C[N@@H+]2CCC3(C2)OCCO3)CCC[NH2+]C1 ZINC000904316758 584864063 /nfs/dbraw/zinc/86/40/63/584864063.db2.gz RXQPHNSYXAJYGP-LBPRGKRZSA-N 2 2 240.347 0.825 20 0 BCADLP C[C@]1(C[N@H+]2CCC3(C2)OCCO3)CCC[NH2+]C1 ZINC000904316758 584864064 /nfs/dbraw/zinc/86/40/64/584864064.db2.gz RXQPHNSYXAJYGP-LBPRGKRZSA-N 2 2 240.347 0.825 20 0 BCADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(N)nn1 ZINC000904338793 584866647 /nfs/dbraw/zinc/86/66/47/584866647.db2.gz UPLLZRKUFVJSLV-UHFFFAOYSA-N 2 2 249.362 0.977 20 0 BCADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(N)nn1 ZINC000904338793 584866648 /nfs/dbraw/zinc/86/66/48/584866648.db2.gz UPLLZRKUFVJSLV-UHFFFAOYSA-N 2 2 249.362 0.977 20 0 BCADLP Nc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)nn1 ZINC000904350300 584868991 /nfs/dbraw/zinc/86/89/91/584868991.db2.gz KLXMXGABZPEBCX-KOLCDFICSA-N 2 2 233.319 0.243 20 0 BCADLP Nc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)nn1 ZINC000904350300 584868992 /nfs/dbraw/zinc/86/89/92/584868992.db2.gz KLXMXGABZPEBCX-KOLCDFICSA-N 2 2 233.319 0.243 20 0 BCADLP CC(C)[C@@H]([NH3+])C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904350468 584869076 /nfs/dbraw/zinc/86/90/76/584869076.db2.gz MBGBQUATHCZMEV-NWDGAFQWSA-N 3 2 213.369 0.949 20 0 BCADLP C[C@@]1(C[N@@H+]2CC[C@@](F)(CO)C2)CCC[NH2+]C1 ZINC000904351505 584869409 /nfs/dbraw/zinc/86/94/09/584869409.db2.gz XGBUXWUZTJECEV-NEPJUHHUSA-N 2 2 230.327 0.782 20 0 BCADLP C[C@@]1(C[N@H+]2CC[C@@](F)(CO)C2)CCC[NH2+]C1 ZINC000904351505 584869410 /nfs/dbraw/zinc/86/94/10/584869410.db2.gz XGBUXWUZTJECEV-NEPJUHHUSA-N 2 2 230.327 0.782 20 0 BCADLP [NH3+]Cc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000904354492 584870303 /nfs/dbraw/zinc/87/03/03/584870303.db2.gz ZZRIQJKTSOQZBS-CYBMUJFWSA-N 3 2 219.332 0.987 20 0 BCADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N)nn1 ZINC000904356277 584871234 /nfs/dbraw/zinc/87/12/34/584871234.db2.gz UZTGNIMOGOFCNQ-SCZZXKLOSA-N 2 2 221.308 0.146 20 0 BCADLP Nc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)nn1 ZINC000904358077 584872351 /nfs/dbraw/zinc/87/23/51/584872351.db2.gz HFJNHKZBOWLMML-JTQLQIEISA-N 2 2 247.346 0.823 20 0 BCADLP C[C@@]1(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904371507 584873127 /nfs/dbraw/zinc/87/31/27/584873127.db2.gz OULDXDUMGWBQOO-QWHCGFSZSA-N 3 2 241.379 0.426 20 0 BCADLP C[C@@]1(C[N@H+]2CCCO[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904371507 584873128 /nfs/dbraw/zinc/87/31/28/584873128.db2.gz OULDXDUMGWBQOO-QWHCGFSZSA-N 3 2 241.379 0.426 20 0 BCADLP [NH3+]Cc1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000904371681 584873332 /nfs/dbraw/zinc/87/33/32/584873332.db2.gz QYKLLMGGYWXUJM-CYBMUJFWSA-N 3 2 235.331 0.223 20 0 BCADLP Nc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)nn1 ZINC000904373196 584873630 /nfs/dbraw/zinc/87/36/30/584873630.db2.gz MLFUMWGVZMLCKK-UHFFFAOYSA-N 2 2 233.319 0.387 20 0 BCADLP C[C@@]1(C[NH2+]CCn2cc[nH+]c2)CCC[NH2+]C1 ZINC000904365295 584874982 /nfs/dbraw/zinc/87/49/82/584874982.db2.gz YNPGQLXNWTYTCS-GFCCVEGCSA-N 3 2 222.336 0.862 20 0 BCADLP Nc1cc[nH+]c(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904385673 584878168 /nfs/dbraw/zinc/87/81/68/584878168.db2.gz BKMYJVOPTKYEBA-WAAGHKOSSA-N 3 2 206.293 0.491 20 0 BCADLP C[C@H]1C[N@H+](Cc2csnn2)CC[C@H]1C[NH3+] ZINC000904411960 584879537 /nfs/dbraw/zinc/87/95/37/584879537.db2.gz QTFROLBQQULGMI-IUCAKERBSA-N 2 2 226.349 0.955 20 0 BCADLP C[C@H]1C[N@@H+](Cc2csnn2)CC[C@H]1C[NH3+] ZINC000904411960 584879538 /nfs/dbraw/zinc/87/95/38/584879538.db2.gz QTFROLBQQULGMI-IUCAKERBSA-N 2 2 226.349 0.955 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)NCC1([NH3+])CC1 ZINC000904398758 584880537 /nfs/dbraw/zinc/88/05/37/584880537.db2.gz SIGHNGWHKNTOOL-UHFFFAOYSA-N 2 2 220.276 0.425 20 0 BCADLP C[NH+](C)CC(C)(C)[NH2+]CCC(=O)N1CCCC1 ZINC000839094835 585090746 /nfs/dbraw/zinc/09/07/46/585090746.db2.gz JNNZYZWUXWNRSA-UHFFFAOYSA-N 2 2 241.379 0.929 20 0 BCADLP CNC(=S)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000749005392 585198128 /nfs/dbraw/zinc/19/81/28/585198128.db2.gz KLWMBFAPBIROAP-UHFFFAOYSA-N 2 2 244.408 0.106 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CN2CCCC2=O)C1 ZINC000755788499 585307260 /nfs/dbraw/zinc/30/72/60/585307260.db2.gz IFZSUFFFMBJZAX-LLVKDONJSA-N 2 2 248.330 0.789 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CN2CCCC2=O)C1 ZINC000755788499 585307261 /nfs/dbraw/zinc/30/72/61/585307261.db2.gz IFZSUFFFMBJZAX-LLVKDONJSA-N 2 2 248.330 0.789 20 0 BCADLP CC(=O)NC1CCC([NH2+][C@H]2CC[N@@H+](C)C2)CC1 ZINC000756113363 585314534 /nfs/dbraw/zinc/31/45/34/585314534.db2.gz HPLDOCMRHQTTHW-BPCQOVAHSA-N 2 2 239.363 0.727 20 0 BCADLP CC(=O)NC1CCC([NH2+][C@H]2CC[N@H+](C)C2)CC1 ZINC000756113363 585314535 /nfs/dbraw/zinc/31/45/35/585314535.db2.gz HPLDOCMRHQTTHW-BPCQOVAHSA-N 2 2 239.363 0.727 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000759844788 585381497 /nfs/dbraw/zinc/38/14/97/585381497.db2.gz VVZBWNHLBYUQKT-VHSXEESVSA-N 2 2 235.287 0.525 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000759844788 585381498 /nfs/dbraw/zinc/38/14/98/585381498.db2.gz VVZBWNHLBYUQKT-VHSXEESVSA-N 2 2 235.287 0.525 20 0 BCADLP C[C@H]1CN(Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC000761077902 585405780 /nfs/dbraw/zinc/40/57/80/585405780.db2.gz VGRHATLDYABZAQ-JTQLQIEISA-N 2 2 208.309 0.556 20 0 BCADLP C[C@H]1CN(Cc2c[nH+]cn2C)CC[N@H+]1C ZINC000761077902 585405781 /nfs/dbraw/zinc/40/57/81/585405781.db2.gz VGRHATLDYABZAQ-JTQLQIEISA-N 2 2 208.309 0.556 20 0 BCADLP C[NH+](C)C1(C(=O)N2CC[NH+](C)CC2)CCC1 ZINC000763003041 585441242 /nfs/dbraw/zinc/44/12/42/585441242.db2.gz VVYHUHCHRMIIMI-UHFFFAOYSA-N 2 2 225.336 0.245 20 0 BCADLP C[NH+](C)C1(C(=O)NCc2[nH]cc[nH+]2)CCC1 ZINC000763045054 585442151 /nfs/dbraw/zinc/44/21/51/585442151.db2.gz RIGOCUKHDQIATF-UHFFFAOYSA-N 2 2 222.292 0.510 20 0 BCADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1CCN(C=O)CC1 ZINC000774207017 585653790 /nfs/dbraw/zinc/65/37/90/585653790.db2.gz DUKAUQJXAFCDEJ-LBPRGKRZSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@H]1CCC[N@H+]1CC[NH2+]C1CCN(C=O)CC1 ZINC000774207017 585653791 /nfs/dbraw/zinc/65/37/91/585653791.db2.gz DUKAUQJXAFCDEJ-LBPRGKRZSA-N 2 2 239.363 0.681 20 0 BCADLP c1nncn1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000776760158 585704600 /nfs/dbraw/zinc/70/46/00/585704600.db2.gz LXUFQZYMECAZDI-GFCCVEGCSA-N 2 2 235.335 0.653 20 0 BCADLP c1nncn1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000776760158 585704601 /nfs/dbraw/zinc/70/46/01/585704601.db2.gz LXUFQZYMECAZDI-GFCCVEGCSA-N 2 2 235.335 0.653 20 0 BCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000777456671 585712691 /nfs/dbraw/zinc/71/26/91/585712691.db2.gz BMDMTVSRDRAFDR-JTQLQIEISA-N 2 2 245.286 0.970 20 0 BCADLP C[C@@H](CCO)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000779347690 585752388 /nfs/dbraw/zinc/75/23/88/585752388.db2.gz MMUWMUXRMPWXIQ-QWRGUYRKSA-N 2 2 200.326 0.831 20 0 BCADLP C[C@@H](CCO)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000779347690 585752389 /nfs/dbraw/zinc/75/23/89/585752389.db2.gz MMUWMUXRMPWXIQ-QWRGUYRKSA-N 2 2 200.326 0.831 20 0 BCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)CCO)C1 ZINC000779386582 585753144 /nfs/dbraw/zinc/75/31/44/585753144.db2.gz XPOSYJXAVFDXPJ-OLZOCXBDSA-N 2 2 244.379 0.704 20 0 BCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)CCO)C1 ZINC000779386582 585753145 /nfs/dbraw/zinc/75/31/45/585753145.db2.gz XPOSYJXAVFDXPJ-OLZOCXBDSA-N 2 2 244.379 0.704 20 0 BCADLP C[C@@H](CCO)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000779406030 585753709 /nfs/dbraw/zinc/75/37/09/585753709.db2.gz SUSMHUJROMUDEB-CMPLNLGQSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@@H](CCO)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000779406030 585753710 /nfs/dbraw/zinc/75/37/10/585753710.db2.gz SUSMHUJROMUDEB-CMPLNLGQSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@H]1C[C@@H](C(=O)NC2=[NH+]CCS2)CC[N@@H+]1C ZINC000791205158 585975242 /nfs/dbraw/zinc/97/52/42/585975242.db2.gz NWBUXKBTNGUDLZ-IUCAKERBSA-N 2 2 241.360 0.936 20 0 BCADLP C[C@H]1C[C@@H](C(=O)NC2=[NH+]CCS2)CC[N@H+]1C ZINC000791205158 585975243 /nfs/dbraw/zinc/97/52/43/585975243.db2.gz NWBUXKBTNGUDLZ-IUCAKERBSA-N 2 2 241.360 0.936 20 0 BCADLP Cc1cc([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)n(C)n1 ZINC000793526787 586021689 /nfs/dbraw/zinc/02/16/89/586021689.db2.gz OCTZXFBDCQHRMW-MNOVXSKESA-N 2 2 240.351 0.302 20 0 BCADLP C[C@H]1CCOCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000809972483 586527174 /nfs/dbraw/zinc/52/71/74/586527174.db2.gz JFILBDHRQHQDOF-AAEUAGOBSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H]1CCOCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000809972483 586527175 /nfs/dbraw/zinc/52/71/75/586527175.db2.gz JFILBDHRQHQDOF-AAEUAGOBSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H]1CCOCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000809972483 586527176 /nfs/dbraw/zinc/52/71/76/586527176.db2.gz JFILBDHRQHQDOF-AAEUAGOBSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H]1CCOCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000809972483 586527177 /nfs/dbraw/zinc/52/71/77/586527177.db2.gz JFILBDHRQHQDOF-AAEUAGOBSA-N 2 2 242.363 0.552 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)NCCC[NH+](C)C ZINC000811990032 586569360 /nfs/dbraw/zinc/56/93/60/586569360.db2.gz BGJLETFKQHUYDS-UHFFFAOYSA-N 2 2 239.323 0.171 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCc1cnn(C)n1 ZINC000815144682 586669920 /nfs/dbraw/zinc/66/99/20/586669920.db2.gz HVRFRTQXBANEKL-ZYHUDNBSSA-N 2 2 237.351 0.287 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCc1cnn(C)n1 ZINC000815144682 586669922 /nfs/dbraw/zinc/66/99/22/586669922.db2.gz HVRFRTQXBANEKL-ZYHUDNBSSA-N 2 2 237.351 0.287 20 0 BCADLP Cn1ncc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)n1 ZINC000816612374 586744412 /nfs/dbraw/zinc/74/44/12/586744412.db2.gz NGUZUGIECHZZGM-AAEUAGOBSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)n1 ZINC000816612374 586744413 /nfs/dbraw/zinc/74/44/13/586744413.db2.gz NGUZUGIECHZZGM-AAEUAGOBSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)n1 ZINC000816612374 586744415 /nfs/dbraw/zinc/74/44/15/586744415.db2.gz NGUZUGIECHZZGM-AAEUAGOBSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)n1 ZINC000816612374 586744417 /nfs/dbraw/zinc/74/44/17/586744417.db2.gz NGUZUGIECHZZGM-AAEUAGOBSA-N 2 2 249.362 0.731 20 0 BCADLP CC(C)C[C@H](O)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000817905264 586836638 /nfs/dbraw/zinc/83/66/38/586836638.db2.gz FAPMHULLJICMIQ-GRYCIOLGSA-N 2 2 214.353 0.981 20 0 BCADLP C[C@H]([NH2+]CC1(C)OCCCO1)[C@H]1CCC[NH2+]1 ZINC000817926267 586841592 /nfs/dbraw/zinc/84/15/92/586841592.db2.gz CQOGJYYMAXLQGO-WDEREUQCSA-N 2 2 228.336 0.870 20 0 BCADLP CCn1nc(C)c(C[NH2+][C@H](C)C[C@@H](C)[NH3+])n1 ZINC000818615943 586907241 /nfs/dbraw/zinc/90/72/41/586907241.db2.gz RRLQCFMOYWEMMC-RKDXNWHRSA-N 2 2 225.340 0.822 20 0 BCADLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)c2cccnc2)C1 ZINC000819020858 586924053 /nfs/dbraw/zinc/92/40/53/586924053.db2.gz ILQMPYRNFRJVFT-CHWSQXEVSA-N 2 2 235.331 0.799 20 0 BCADLP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)c2cccnc2)C1 ZINC000819020858 586924056 /nfs/dbraw/zinc/92/40/56/586924056.db2.gz ILQMPYRNFRJVFT-CHWSQXEVSA-N 2 2 235.331 0.799 20 0 BCADLP CON(C)C(=O)CC[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000819059633 586928353 /nfs/dbraw/zinc/92/83/53/586928353.db2.gz HGOOCWKXTRLEDD-JTQLQIEISA-N 2 2 229.324 0.080 20 0 BCADLP CON(C)C(=O)CC[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000819059633 586928354 /nfs/dbraw/zinc/92/83/54/586928354.db2.gz HGOOCWKXTRLEDD-JTQLQIEISA-N 2 2 229.324 0.080 20 0 BCADLP CON(C)C(=O)CC[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000819059636 586928421 /nfs/dbraw/zinc/92/84/21/586928421.db2.gz HGOOCWKXTRLEDD-SNVBAGLBSA-N 2 2 229.324 0.080 20 0 BCADLP CON(C)C(=O)CC[NH2+]C[C@H]1CCC[N@H+]1C ZINC000819059636 586928422 /nfs/dbraw/zinc/92/84/22/586928422.db2.gz HGOOCWKXTRLEDD-SNVBAGLBSA-N 2 2 229.324 0.080 20 0 BCADLP O[C@@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000819323322 586951458 /nfs/dbraw/zinc/95/14/58/586951458.db2.gz ZLEONSGIIXFJBB-CABZTGNLSA-N 2 2 221.304 0.628 20 0 BCADLP O[C@@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000819323322 586951460 /nfs/dbraw/zinc/95/14/60/586951460.db2.gz ZLEONSGIIXFJBB-CABZTGNLSA-N 2 2 221.304 0.628 20 0 BCADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cnnn1C ZINC000820805801 587073376 /nfs/dbraw/zinc/07/33/76/587073376.db2.gz RVNNMQOOCQZMCU-SECBINFHSA-N 2 2 223.324 0.560 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cnnn1C ZINC000820810562 587074018 /nfs/dbraw/zinc/07/40/18/587074018.db2.gz ZGQDMIZZSQRFAT-QWRGUYRKSA-N 2 2 237.351 0.808 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cnnn1C ZINC000820810562 587074020 /nfs/dbraw/zinc/07/40/20/587074020.db2.gz ZGQDMIZZSQRFAT-QWRGUYRKSA-N 2 2 237.351 0.808 20 0 BCADLP c1[nH+]cn2c1C[N@H+](CCC1OCCO1)CC2 ZINC000821269514 587104438 /nfs/dbraw/zinc/10/44/38/587104438.db2.gz FDQFOOKRJKOJOM-UHFFFAOYSA-N 2 2 223.276 0.462 20 0 BCADLP c1[nH+]cn2c1C[N@@H+](CCC1OCCO1)CC2 ZINC000821269514 587104439 /nfs/dbraw/zinc/10/44/39/587104439.db2.gz FDQFOOKRJKOJOM-UHFFFAOYSA-N 2 2 223.276 0.462 20 0 BCADLP O=C(C[NH+]1CCCC1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000822860829 587189733 /nfs/dbraw/zinc/18/97/33/587189733.db2.gz CHPRWSLRIIZKBL-NSHDSACASA-N 2 2 248.330 0.410 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000822997386 587197112 /nfs/dbraw/zinc/19/71/12/587197112.db2.gz KBHQZDCCXFZXDO-JTQLQIEISA-N 2 2 236.319 0.378 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000822997386 587197113 /nfs/dbraw/zinc/19/71/13/587197113.db2.gz KBHQZDCCXFZXDO-JTQLQIEISA-N 2 2 236.319 0.378 20 0 BCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000823237297 587210501 /nfs/dbraw/zinc/21/05/01/587210501.db2.gz RBPNEVXMYAUXDY-QWRGUYRKSA-N 2 2 248.330 0.786 20 0 BCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000823237297 587210503 /nfs/dbraw/zinc/21/05/03/587210503.db2.gz RBPNEVXMYAUXDY-QWRGUYRKSA-N 2 2 248.330 0.786 20 0 BCADLP C[C@@H](NC(=O)C[NH+]1CCCC1)c1[nH+]ccn1C ZINC000824625902 587279802 /nfs/dbraw/zinc/27/98/02/587279802.db2.gz KXNAHDQBZQKFOR-SNVBAGLBSA-N 2 2 236.319 0.693 20 0 BCADLP CN(CC1C[NH+](C)C1)C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000825180372 587308358 /nfs/dbraw/zinc/30/83/58/587308358.db2.gz ICHUJUJGARYOPN-PLNGDYQASA-N 2 2 248.330 0.453 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@](O)(C(F)F)C2)n1C ZINC000826052455 587349790 /nfs/dbraw/zinc/34/97/90/587349790.db2.gz DOIWBFVEHLUNIU-LLVKDONJSA-N 2 2 245.273 0.930 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@](O)(C(F)F)C2)n1C ZINC000826052455 587349791 /nfs/dbraw/zinc/34/97/91/587349791.db2.gz DOIWBFVEHLUNIU-LLVKDONJSA-N 2 2 245.273 0.930 20 0 BCADLP CC[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000826599398 587356385 /nfs/dbraw/zinc/35/63/85/587356385.db2.gz KYNOFQCJIZQFGW-SNVBAGLBSA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000826599398 587356386 /nfs/dbraw/zinc/35/63/86/587356386.db2.gz KYNOFQCJIZQFGW-SNVBAGLBSA-N 2 2 236.319 0.553 20 0 BCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC000827253160 587374132 /nfs/dbraw/zinc/37/41/32/587374132.db2.gz DOQOSUCPKVVMIK-MNOVXSKESA-N 2 2 248.330 0.505 20 0 BCADLP C[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC000827253160 587374133 /nfs/dbraw/zinc/37/41/33/587374133.db2.gz DOQOSUCPKVVMIK-MNOVXSKESA-N 2 2 248.330 0.505 20 0 BCADLP C[N@@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC000827253161 587374219 /nfs/dbraw/zinc/37/42/19/587374219.db2.gz DOQOSUCPKVVMIK-QWRGUYRKSA-N 2 2 248.330 0.505 20 0 BCADLP C[N@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC000827253161 587374220 /nfs/dbraw/zinc/37/42/20/587374220.db2.gz DOQOSUCPKVVMIK-QWRGUYRKSA-N 2 2 248.330 0.505 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000827549613 587386996 /nfs/dbraw/zinc/38/69/96/587386996.db2.gz PZSXKAVWVFQINZ-SECBINFHSA-N 2 2 222.292 0.163 20 0 BCADLP C[N@H+]1CCC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC000827549613 587386998 /nfs/dbraw/zinc/38/69/98/587386998.db2.gz PZSXKAVWVFQINZ-SECBINFHSA-N 2 2 222.292 0.163 20 0 BCADLP C[C@@H]1C[C@@H]([NH+](C)CC[S@](C)=O)CC[N@H+]1C ZINC000827976024 587414399 /nfs/dbraw/zinc/41/43/99/587414399.db2.gz NQLUFLLXRRXVAD-ZETOZRRWSA-N 2 2 232.393 0.779 20 0 BCADLP C[C@@H]1C[C@@H]([N@H+](C)CC[S@](C)=O)CC[NH+]1C ZINC000827976024 587414401 /nfs/dbraw/zinc/41/44/01/587414401.db2.gz NQLUFLLXRRXVAD-ZETOZRRWSA-N 2 2 232.393 0.779 20 0 BCADLP C[C@@H]1C[C@@H]([N@@H+](C)CC[S@](C)=O)CC[NH+]1C ZINC000827976024 587414403 /nfs/dbraw/zinc/41/44/03/587414403.db2.gz NQLUFLLXRRXVAD-ZETOZRRWSA-N 2 2 232.393 0.779 20 0 BCADLP C[C@@H]1C[C@@H]([NH+](C)CC[S@](C)=O)CC[N@@H+]1C ZINC000827976024 587414398 /nfs/dbraw/zinc/41/43/98/587414398.db2.gz NQLUFLLXRRXVAD-ZETOZRRWSA-N 2 2 232.393 0.779 20 0 BCADLP C[C@@H]1C[C@@H]([NH+](C)CC[S@@](C)=O)CC[N@@H+]1C ZINC000827976021 587414460 /nfs/dbraw/zinc/41/44/60/587414460.db2.gz NQLUFLLXRRXVAD-JRPNMDOOSA-N 2 2 232.393 0.779 20 0 BCADLP C[C@@H]1C[C@@H]([NH+](C)CC[S@@](C)=O)CC[N@H+]1C ZINC000827976021 587414461 /nfs/dbraw/zinc/41/44/61/587414461.db2.gz NQLUFLLXRRXVAD-JRPNMDOOSA-N 2 2 232.393 0.779 20 0 BCADLP C[C@@H]1C[C@@H]([N@H+](C)CC[S@@](C)=O)CC[NH+]1C ZINC000827976021 587414462 /nfs/dbraw/zinc/41/44/62/587414462.db2.gz NQLUFLLXRRXVAD-JRPNMDOOSA-N 2 2 232.393 0.779 20 0 BCADLP C[C@@H]1C[C@@H]([N@@H+](C)CC[S@@](C)=O)CC[NH+]1C ZINC000827976021 587414463 /nfs/dbraw/zinc/41/44/63/587414463.db2.gz NQLUFLLXRRXVAD-JRPNMDOOSA-N 2 2 232.393 0.779 20 0 BCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC[S@@](C)=O)C2)C1 ZINC000828571201 587451251 /nfs/dbraw/zinc/45/12/51/587451251.db2.gz NKEORHCIYXPVOG-IAQYHMDHSA-N 2 2 230.377 0.393 20 0 BCADLP C[N@H+]1CC[C@@]2(CC[NH+](CC[S@@](C)=O)C2)C1 ZINC000828571201 587451252 /nfs/dbraw/zinc/45/12/52/587451252.db2.gz NKEORHCIYXPVOG-IAQYHMDHSA-N 2 2 230.377 0.393 20 0 BCADLP C[NH+]1CC[C@@]2(CC[N@H+](CC[S@@](C)=O)C2)C1 ZINC000828571201 587451254 /nfs/dbraw/zinc/45/12/54/587451254.db2.gz NKEORHCIYXPVOG-IAQYHMDHSA-N 2 2 230.377 0.393 20 0 BCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC[S@@](C)=O)C2)C1 ZINC000828571201 587451256 /nfs/dbraw/zinc/45/12/56/587451256.db2.gz NKEORHCIYXPVOG-IAQYHMDHSA-N 2 2 230.377 0.393 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000831555212 587619144 /nfs/dbraw/zinc/61/91/44/587619144.db2.gz KDZAQNBFHOUFLT-VHSXEESVSA-N 2 2 236.319 0.503 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000831555212 587619146 /nfs/dbraw/zinc/61/91/46/587619146.db2.gz KDZAQNBFHOUFLT-VHSXEESVSA-N 2 2 236.319 0.503 20 0 BCADLP [NH3+]CCCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000832139558 587646356 /nfs/dbraw/zinc/64/63/56/587646356.db2.gz AHKRBHUFNZFKOP-SECBINFHSA-N 2 2 222.292 0.812 20 0 BCADLP C[C@H](C[NH3+])C[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000841049526 587940226 /nfs/dbraw/zinc/94/02/26/587940226.db2.gz TURXEZFJILTLNV-LLVKDONJSA-N 2 2 245.330 0.952 20 0 BCADLP CCS(=O)(=O)CC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000842476162 588030003 /nfs/dbraw/zinc/03/00/03/588030003.db2.gz IJHFKZADYUGDMJ-GARJFASQSA-N 2 2 248.392 0.397 20 0 BCADLP C[C@@H](O)c1ncc(C[N@H+](C)CCC[NH3+])s1 ZINC000843050364 588077202 /nfs/dbraw/zinc/07/72/02/588077202.db2.gz JNRWYKSNRWEPMS-MRVPVSSYSA-N 2 2 229.349 0.977 20 0 BCADLP C[C@@H](O)c1ncc(C[N@@H+](C)CCC[NH3+])s1 ZINC000843050364 588077204 /nfs/dbraw/zinc/07/72/04/588077204.db2.gz JNRWYKSNRWEPMS-MRVPVSSYSA-N 2 2 229.349 0.977 20 0 BCADLP C([C@@H]1CCC[NH2+]1)[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000843067313 588078716 /nfs/dbraw/zinc/07/87/16/588078716.db2.gz YKQQYCBDJQIWCC-QJPTWQEYSA-N 2 2 242.388 0.945 20 0 BCADLP C([C@@H]1CCC[NH2+]1)[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000843067313 588078718 /nfs/dbraw/zinc/07/87/18/588078718.db2.gz YKQQYCBDJQIWCC-QJPTWQEYSA-N 2 2 242.388 0.945 20 0 BCADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)C1CC1 ZINC000843085983 588080500 /nfs/dbraw/zinc/08/05/00/588080500.db2.gz DUNDFTHBNUNBSE-QWHCGFSZSA-N 2 2 242.363 0.194 20 0 BCADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)C1CC1 ZINC000843085983 588080501 /nfs/dbraw/zinc/08/05/01/588080501.db2.gz DUNDFTHBNUNBSE-QWHCGFSZSA-N 2 2 242.363 0.194 20 0 BCADLP O=C1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)CN1C1CC1 ZINC000843125807 588084319 /nfs/dbraw/zinc/08/43/19/588084319.db2.gz IZZZMGXLQJJOFH-UWVGGRQHSA-N 2 2 223.320 0.091 20 0 BCADLP Nc1ccc(NC(=O)C[C@@H]([NH3+])C2CC2)c[nH+]1 ZINC000843334944 588100786 /nfs/dbraw/zinc/10/07/86/588100786.db2.gz GGWIJZNORCYOHA-SECBINFHSA-N 2 2 220.276 0.730 20 0 BCADLP CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000843347198 588102184 /nfs/dbraw/zinc/10/21/84/588102184.db2.gz CXQPTDGXHLWYJH-GHMZBOCLSA-N 2 2 228.336 0.999 20 0 BCADLP CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000843347198 588102185 /nfs/dbraw/zinc/10/21/85/588102185.db2.gz CXQPTDGXHLWYJH-GHMZBOCLSA-N 2 2 228.336 0.999 20 0 BCADLP CCCCCCNC(=O)C[N@H+](C)CCC[NH3+] ZINC000843351424 588102299 /nfs/dbraw/zinc/10/22/99/588102299.db2.gz TXYCUDJNUWLWRN-UHFFFAOYSA-N 2 2 229.368 0.964 20 0 BCADLP CCCCCCNC(=O)C[N@@H+](C)CCC[NH3+] ZINC000843351424 588102301 /nfs/dbraw/zinc/10/23/01/588102301.db2.gz TXYCUDJNUWLWRN-UHFFFAOYSA-N 2 2 229.368 0.964 20 0 BCADLP CCCCOC(=O)[C@@H](C)[N@H+](C)CCC[NH3+] ZINC000843351480 588102568 /nfs/dbraw/zinc/10/25/68/588102568.db2.gz XBADKWJKKUSKFJ-SNVBAGLBSA-N 2 2 216.325 0.999 20 0 BCADLP CCCCOC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000843351480 588102569 /nfs/dbraw/zinc/10/25/69/588102569.db2.gz XBADKWJKKUSKFJ-SNVBAGLBSA-N 2 2 216.325 0.999 20 0 BCADLP CCCOC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000843353737 588103213 /nfs/dbraw/zinc/10/32/13/588103213.db2.gz OHIBCOWVCAHFKX-DCAQKATOSA-N 2 2 228.336 0.997 20 0 BCADLP CCCOC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000843353737 588103214 /nfs/dbraw/zinc/10/32/14/588103214.db2.gz OHIBCOWVCAHFKX-DCAQKATOSA-N 2 2 228.336 0.997 20 0 BCADLP CC[C@@H]([NH3+])C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000843495802 588115456 /nfs/dbraw/zinc/11/54/56/588115456.db2.gz VXXKQJLRUSTVME-BDAKNGLRSA-N 2 2 222.292 0.811 20 0 BCADLP CC[NH2+]CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000844174531 588172272 /nfs/dbraw/zinc/17/22/72/588172272.db2.gz JFLQJPUEPSAXIZ-JTQLQIEISA-N 2 2 236.319 0.725 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000846216104 588260269 /nfs/dbraw/zinc/26/02/69/588260269.db2.gz PMYAKGFMGKJFRJ-LLVKDONJSA-N 2 2 234.347 1.000 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000846216104 588260270 /nfs/dbraw/zinc/26/02/70/588260270.db2.gz PMYAKGFMGKJFRJ-LLVKDONJSA-N 2 2 234.347 1.000 20 0 BCADLP CSCC[C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000846670672 588281735 /nfs/dbraw/zinc/28/17/35/588281735.db2.gz HFXJUECNWZVMOR-ZJUUUORDSA-N 2 2 247.408 0.523 20 0 BCADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@H](C)O ZINC000848550383 588395864 /nfs/dbraw/zinc/39/58/64/588395864.db2.gz KYLNMEDCGHKIPR-NTZNESFSSA-N 2 2 242.363 0.599 20 0 BCADLP COCC[N@H+](C)CCNC(=[NH2+])NC1CCC1 ZINC000849000641 588430643 /nfs/dbraw/zinc/43/06/43/588430643.db2.gz OYMHSEHLKJHUKW-UHFFFAOYSA-N 2 2 228.340 0.231 20 0 BCADLP COCC[N@@H+](C)CCNC(=[NH2+])NC1CCC1 ZINC000849000641 588430644 /nfs/dbraw/zinc/43/06/44/588430644.db2.gz OYMHSEHLKJHUKW-UHFFFAOYSA-N 2 2 228.340 0.231 20 0 BCADLP [NH2+]=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CC1 ZINC000849037514 588446022 /nfs/dbraw/zinc/44/60/22/588446022.db2.gz MTQABWRJRCZQOP-PHIMTYICSA-N 2 2 238.335 0.126 20 0 BCADLP [NH2+]=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CC1 ZINC000849037514 588446024 /nfs/dbraw/zinc/44/60/24/588446024.db2.gz MTQABWRJRCZQOP-PHIMTYICSA-N 2 2 238.335 0.126 20 0 BCADLP Cn1c[nH+]c(CCNC(=[NH2+])NCC2CCC2)c1 ZINC000849040087 588447307 /nfs/dbraw/zinc/44/73/07/588447307.db2.gz JUXQPGQJJSGFGO-UHFFFAOYSA-N 2 2 235.335 0.877 20 0 BCADLP COC(=O)N(C)CC[N@H+](C)CC(C)(C)[NH3+] ZINC000849351733 588474635 /nfs/dbraw/zinc/47/46/35/588474635.db2.gz CEIMQGYZQVMNPM-UHFFFAOYSA-N 2 2 217.313 0.354 20 0 BCADLP COC(=O)N(C)CC[N@@H+](C)CC(C)(C)[NH3+] ZINC000849351733 588474637 /nfs/dbraw/zinc/47/46/37/588474637.db2.gz CEIMQGYZQVMNPM-UHFFFAOYSA-N 2 2 217.313 0.354 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CC2(C)OCCCO2)n1C ZINC000850275920 588534095 /nfs/dbraw/zinc/53/40/95/588534095.db2.gz UIQBBRNRNFRAQP-UHFFFAOYSA-N 2 2 239.319 0.971 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@H]2CCC(=O)O2)C1 ZINC000851868825 588637257 /nfs/dbraw/zinc/63/72/57/588637257.db2.gz VRVVQUIHPBOYIE-GHMZBOCLSA-N 2 2 249.314 0.915 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@H]2CCC(=O)O2)C1 ZINC000851868825 588637258 /nfs/dbraw/zinc/63/72/58/588637258.db2.gz VRVVQUIHPBOYIE-GHMZBOCLSA-N 2 2 249.314 0.915 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cnon1 ZINC000851882533 588639220 /nfs/dbraw/zinc/63/92/20/588639220.db2.gz ZKVJEEUHCXGRMH-UHFFFAOYSA-N 2 2 221.264 0.788 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cnon1 ZINC000851882533 588639221 /nfs/dbraw/zinc/63/92/21/588639221.db2.gz ZKVJEEUHCXGRMH-UHFFFAOYSA-N 2 2 221.264 0.788 20 0 BCADLP COC(=O)N(C)CC[N@H+](C)CCn1cc[nH+]c1 ZINC000852569275 588691097 /nfs/dbraw/zinc/69/10/97/588691097.db2.gz KSFRXXFWENSZLN-UHFFFAOYSA-N 2 2 240.307 0.513 20 0 BCADLP COC(=O)N(C)CC[N@@H+](C)CCn1cc[nH+]c1 ZINC000852569275 588691098 /nfs/dbraw/zinc/69/10/98/588691098.db2.gz KSFRXXFWENSZLN-UHFFFAOYSA-N 2 2 240.307 0.513 20 0 BCADLP [NH3+]CC[N@H+](CCO)CCOCc1ccccc1 ZINC000852745979 588699029 /nfs/dbraw/zinc/69/90/29/588699029.db2.gz BRQWBRCTMOURTG-UHFFFAOYSA-N 2 2 238.331 0.456 20 0 BCADLP [NH3+]CC[N@@H+](CCO)CCOCc1ccccc1 ZINC000852745979 588699030 /nfs/dbraw/zinc/69/90/30/588699030.db2.gz BRQWBRCTMOURTG-UHFFFAOYSA-N 2 2 238.331 0.456 20 0 BCADLP CCCCCC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000852754738 588700521 /nfs/dbraw/zinc/70/05/21/588700521.db2.gz ZMRWXWUFNMOHJN-NSHDSACASA-N 2 2 218.341 0.181 20 0 BCADLP CCCCCC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000852754738 588700522 /nfs/dbraw/zinc/70/05/22/588700522.db2.gz ZMRWXWUFNMOHJN-NSHDSACASA-N 2 2 218.341 0.181 20 0 BCADLP COC(=O)[C@]1(F)CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000852753808 588700554 /nfs/dbraw/zinc/70/05/54/588700554.db2.gz SKUIJPVGARAGHE-KOLCDFICSA-N 2 2 230.283 0.183 20 0 BCADLP COC(=O)[C@]1(F)CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000852753808 588700555 /nfs/dbraw/zinc/70/05/55/588700555.db2.gz SKUIJPVGARAGHE-KOLCDFICSA-N 2 2 230.283 0.183 20 0 BCADLP C[C@H]([NH3+])C[NH+]1CCC(N2CCOC2=O)CC1 ZINC000852761617 588700809 /nfs/dbraw/zinc/70/08/09/588700809.db2.gz YDEKQBGRVDBEKZ-VIFPVBQESA-N 2 2 227.308 0.250 20 0 BCADLP C[C@@H](NC(=O)C=C1CC[NH2+]CC1)c1[nH+]ccn1C ZINC000852918014 588713466 /nfs/dbraw/zinc/71/34/66/588713466.db2.gz RYZAWHVVQBHQLO-SNVBAGLBSA-N 2 2 248.330 0.907 20 0 BCADLP C[C@@H]([NH3+])CN(C)C(=O)NCCCn1cc[nH+]c1 ZINC000861549228 589167922 /nfs/dbraw/zinc/16/79/22/589167922.db2.gz WHANTXBUHMLJIK-SNVBAGLBSA-N 2 2 239.323 0.262 20 0 BCADLP NC(=O)COc1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000863488098 589293534 /nfs/dbraw/zinc/29/35/34/589293534.db2.gz GNAHKFXWDKDRCJ-LLVKDONJSA-N 2 2 249.314 0.002 20 0 BCADLP CC(C)(C)CNC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000863539558 589296847 /nfs/dbraw/zinc/29/68/47/589296847.db2.gz FAXZWSVOBBAJNG-LLVKDONJSA-N 2 2 241.379 0.819 20 0 BCADLP CC(C)(C)CNC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000863539558 589296848 /nfs/dbraw/zinc/29/68/48/589296848.db2.gz FAXZWSVOBBAJNG-LLVKDONJSA-N 2 2 241.379 0.819 20 0 BCADLP CCO[C@@H](C[N@H+](CC[NH3+])CCO)C1CC1 ZINC000863542795 589297228 /nfs/dbraw/zinc/29/72/28/589297228.db2.gz ZIERZESSYGGRQP-NSHDSACASA-N 2 2 216.325 0.055 20 0 BCADLP CCO[C@@H](C[N@@H+](CC[NH3+])CCO)C1CC1 ZINC000863542795 589297229 /nfs/dbraw/zinc/29/72/29/589297229.db2.gz ZIERZESSYGGRQP-NSHDSACASA-N 2 2 216.325 0.055 20 0 BCADLP CC(C)OC(=O)CC[N@H+](C)C[C@@H](C)[NH3+] ZINC000863567753 589300329 /nfs/dbraw/zinc/30/03/29/589300329.db2.gz GPJAPTLQGZKYPT-SECBINFHSA-N 2 2 202.298 0.607 20 0 BCADLP CC(C)OC(=O)CC[N@@H+](C)C[C@@H](C)[NH3+] ZINC000863567753 589300330 /nfs/dbraw/zinc/30/03/30/589300330.db2.gz GPJAPTLQGZKYPT-SECBINFHSA-N 2 2 202.298 0.607 20 0 BCADLP C[N@H+](CC(=O)NC1=[NH+]CCS1)C1CCC1 ZINC000863851983 589323182 /nfs/dbraw/zinc/32/31/82/589323182.db2.gz DXHICNAIDHMEIE-UHFFFAOYSA-N 2 2 227.333 0.690 20 0 BCADLP C[N@@H+](CC(=O)NC1=[NH+]CCS1)C1CCC1 ZINC000863851983 589323183 /nfs/dbraw/zinc/32/31/83/589323183.db2.gz DXHICNAIDHMEIE-UHFFFAOYSA-N 2 2 227.333 0.690 20 0 BCADLP O=C1O[C@@H](C[NH2+]Cc2c[nH+]c[nH]2)CN1C1CC1 ZINC000864049811 589334386 /nfs/dbraw/zinc/33/43/86/589334386.db2.gz LUKZHCOJPSJFCQ-JTQLQIEISA-N 2 2 236.275 0.483 20 0 BCADLP C[C@H]1C[C@@H]1NC(=[NH2+])NCCc1cn(C)c[nH+]1 ZINC000864466745 589371486 /nfs/dbraw/zinc/37/14/86/589371486.db2.gz ONRCFWNPKSWOGJ-WPRPVWTQSA-N 2 2 221.308 0.485 20 0 BCADLP C[C@H](O)[C@H](O)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000865738402 589459750 /nfs/dbraw/zinc/45/97/50/589459750.db2.gz FHLCLTOSSWNPDR-GXSJLCMTSA-N 2 2 235.287 0.166 20 0 BCADLP Cc1c[nH]c(CNc2cc3n(n2)CC[N@@H+](C)C3)[nH+]1 ZINC000865845367 589464722 /nfs/dbraw/zinc/46/47/22/589464722.db2.gz AXVGWLSULCXLDX-UHFFFAOYSA-N 2 2 246.318 0.972 20 0 BCADLP Cc1c[nH]c(CNc2cc3n(n2)CC[N@H+](C)C3)[nH+]1 ZINC000865845367 589464723 /nfs/dbraw/zinc/46/47/23/589464723.db2.gz AXVGWLSULCXLDX-UHFFFAOYSA-N 2 2 246.318 0.972 20 0 BCADLP C[NH2+][C@@H]1CC[N@H+](CCc2ccc(C(N)=O)cc2)C1 ZINC000866662488 589509040 /nfs/dbraw/zinc/50/90/40/589509040.db2.gz VKEYRSNGPUDEOR-CYBMUJFWSA-N 2 2 247.342 0.622 20 0 BCADLP C[NH2+][C@@H]1CC[N@@H+](CCc2ccc(C(N)=O)cc2)C1 ZINC000866662488 589509042 /nfs/dbraw/zinc/50/90/42/589509042.db2.gz VKEYRSNGPUDEOR-CYBMUJFWSA-N 2 2 247.342 0.622 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)CCc1ccc(C(N)=O)cc1 ZINC000866668997 589510450 /nfs/dbraw/zinc/51/04/50/589510450.db2.gz ZTEGMJBUEORLDC-JTQLQIEISA-N 2 2 235.331 0.607 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)CCc1ccc(C(N)=O)cc1 ZINC000866668997 589510452 /nfs/dbraw/zinc/51/04/52/589510452.db2.gz ZTEGMJBUEORLDC-JTQLQIEISA-N 2 2 235.331 0.607 20 0 BCADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCc1ccc(C(N)=O)cc1 ZINC000866681667 589511335 /nfs/dbraw/zinc/51/13/35/589511335.db2.gz AOWDDILMVQGTCV-GWCFXTLKSA-N 2 2 247.342 0.750 20 0 BCADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCc1ccc(C(N)=O)cc1 ZINC000866681667 589511336 /nfs/dbraw/zinc/51/13/36/589511336.db2.gz AOWDDILMVQGTCV-GWCFXTLKSA-N 2 2 247.342 0.750 20 0 BCADLP Cn1nccc1C[N@@H+]1CC[NH2+]CCC1(C)C ZINC000866697739 589512709 /nfs/dbraw/zinc/51/27/09/589512709.db2.gz XMLWPVSZIQHONU-UHFFFAOYSA-N 2 2 222.336 0.994 20 0 BCADLP Cn1nccc1C[N@H+]1CC[NH2+]CCC1(C)C ZINC000866697739 589512710 /nfs/dbraw/zinc/51/27/10/589512710.db2.gz XMLWPVSZIQHONU-UHFFFAOYSA-N 2 2 222.336 0.994 20 0 BCADLP Cn1cc(CC[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)cn1 ZINC000866723563 589515751 /nfs/dbraw/zinc/51/57/51/589515751.db2.gz FXUOPIHUWVJSTG-OLZOCXBDSA-N 2 2 234.347 0.789 20 0 BCADLP Cn1cc(CC[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)cn1 ZINC000866723563 589515752 /nfs/dbraw/zinc/51/57/52/589515752.db2.gz FXUOPIHUWVJSTG-OLZOCXBDSA-N 2 2 234.347 0.789 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866725761 589516183 /nfs/dbraw/zinc/51/61/83/589516183.db2.gz WCELMAGPORMLAH-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866725761 589516185 /nfs/dbraw/zinc/51/61/85/589516185.db2.gz WCELMAGPORMLAH-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@H]([NH3+])C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000867998805 589542938 /nfs/dbraw/zinc/54/29/38/589542938.db2.gz INUWKPGRCSIADO-CABZTGNLSA-N 2 2 233.315 0.637 20 0 BCADLP C[C@H]([NH3+])C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000867998805 589542939 /nfs/dbraw/zinc/54/29/39/589542939.db2.gz INUWKPGRCSIADO-CABZTGNLSA-N 2 2 233.315 0.637 20 0 BCADLP C[C@H](C[NH3+])C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000867999162 589543034 /nfs/dbraw/zinc/54/30/34/589543034.db2.gz TUNDZHFZPFKUAA-MFKMUULPSA-N 2 2 247.342 0.884 20 0 BCADLP C[C@H](C[NH3+])C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000867999162 589543035 /nfs/dbraw/zinc/54/30/35/589543035.db2.gz TUNDZHFZPFKUAA-MFKMUULPSA-N 2 2 247.342 0.884 20 0 BCADLP C[C@@H](CC(=O)N1CC[C@](C)([NH3+])C1)n1cc[nH+]c1 ZINC000868080550 589549135 /nfs/dbraw/zinc/54/91/35/589549135.db2.gz WPZHTBQGCNBGFU-JQWIXIFHSA-N 2 2 236.319 0.784 20 0 BCADLP [NH3+][C@H]1CC[C@H](C(=O)Nc2cc[nH+]cc2O)CC1 ZINC000870883636 589694211 /nfs/dbraw/zinc/69/42/11/589694211.db2.gz CPKCHJMKRAVUNF-KYZUINATSA-N 2 2 235.287 0.665 20 0 BCADLP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2cc[nH+]cc2O)C1 ZINC000870884496 589694609 /nfs/dbraw/zinc/69/46/09/589694609.db2.gz YYJNKWGWXOESFN-JOAULVNJSA-N 2 2 233.271 0.275 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCCCC1CC1 ZINC000870963295 589701916 /nfs/dbraw/zinc/70/19/16/589701916.db2.gz YJPCTQWVACDSFV-GFCCVEGCSA-N 2 2 241.379 0.962 20 0 BCADLP CN1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])Cc2ccc[nH+]c21 ZINC000871021690 589713830 /nfs/dbraw/zinc/71/38/30/589713830.db2.gz VMKASGDMBHJASP-MNOVXSKESA-N 2 2 246.314 0.207 20 0 BCADLP [NH3+][C@H](CC(=O)NCCCn1cc[nH+]c1)C1CC1 ZINC000123580804 589755040 /nfs/dbraw/zinc/75/50/40/589755040.db2.gz JKPWRVALPWFUAU-LLVKDONJSA-N 2 2 236.319 0.517 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC[C@H]1CCOC1=O ZINC000872118210 589875409 /nfs/dbraw/zinc/87/54/09/589875409.db2.gz VRKUFIVQIHEGSO-WOPDTQHZSA-N 2 2 240.347 0.869 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC[C@H]1CCOC1=O ZINC000872118210 589875411 /nfs/dbraw/zinc/87/54/11/589875411.db2.gz VRKUFIVQIHEGSO-WOPDTQHZSA-N 2 2 240.347 0.869 20 0 BCADLP COC(=O)CC[C@H]1CCC[N@H+](CC[NH3+])C1 ZINC000872153614 589885115 /nfs/dbraw/zinc/88/51/15/589885115.db2.gz DSJNWEIVCJXCNX-SNVBAGLBSA-N 2 2 214.309 0.610 20 0 BCADLP COC(=O)CC[C@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000872153614 589885117 /nfs/dbraw/zinc/88/51/17/589885117.db2.gz DSJNWEIVCJXCNX-SNVBAGLBSA-N 2 2 214.309 0.610 20 0 BCADLP [NH3+]CC[N@H+](CCO)C[C@H]1CC2(CCC2)CO1 ZINC000872143498 589883134 /nfs/dbraw/zinc/88/31/34/589883134.db2.gz OAPWYTIBZRCARK-LLVKDONJSA-N 2 2 228.336 0.199 20 0 BCADLP [NH3+]CC[N@@H+](CCO)C[C@H]1CC2(CCC2)CO1 ZINC000872143498 589883136 /nfs/dbraw/zinc/88/31/36/589883136.db2.gz OAPWYTIBZRCARK-LLVKDONJSA-N 2 2 228.336 0.199 20 0 BCADLP [NH3+][C@@H](CC(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000123964984 589886819 /nfs/dbraw/zinc/88/68/19/589886819.db2.gz AZTXNYDTWGPETJ-JTQLQIEISA-N 2 2 222.292 0.127 20 0 BCADLP CC[C@@H]1C[N@H+](Cc2cnc(N)cn2)CC[C@@H]1[NH3+] ZINC000873200563 589992764 /nfs/dbraw/zinc/99/27/64/589992764.db2.gz COLLWNFIPJBSOQ-KOLCDFICSA-N 2 2 235.335 0.618 20 0 BCADLP CC[C@@H]1C[N@@H+](Cc2cnc(N)cn2)CC[C@@H]1[NH3+] ZINC000873200563 589992766 /nfs/dbraw/zinc/99/27/66/589992766.db2.gz COLLWNFIPJBSOQ-KOLCDFICSA-N 2 2 235.335 0.618 20 0 BCADLP C[N@H+](CC(N)=O)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873202002 589993339 /nfs/dbraw/zinc/99/33/39/589993339.db2.gz JJNSBIVEEGGMKQ-UHFFFAOYSA-N 2 2 239.344 0.311 20 0 BCADLP C[N@@H+](CC(N)=O)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873202002 589993341 /nfs/dbraw/zinc/99/33/41/589993341.db2.gz JJNSBIVEEGGMKQ-UHFFFAOYSA-N 2 2 239.344 0.311 20 0 BCADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cnc(N)cn1 ZINC000873208940 589995172 /nfs/dbraw/zinc/99/51/72/589995172.db2.gz YSUWDKFTXWITDE-UHFFFAOYSA-N 2 2 249.362 0.977 20 0 BCADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cnc(N)cn1 ZINC000873208940 589995173 /nfs/dbraw/zinc/99/51/73/589995173.db2.gz YSUWDKFTXWITDE-UHFFFAOYSA-N 2 2 249.362 0.977 20 0 BCADLP Nc1cnc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000873210511 589995600 /nfs/dbraw/zinc/99/56/00/589995600.db2.gz IOXNGXHPYVWHCW-CYBMUJFWSA-N 2 2 247.346 0.634 20 0 BCADLP Nc1cnc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000873210511 589995601 /nfs/dbraw/zinc/99/56/01/589995601.db2.gz IOXNGXHPYVWHCW-CYBMUJFWSA-N 2 2 247.346 0.634 20 0 BCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cnc(N)cn1)C2 ZINC000873212329 589996036 /nfs/dbraw/zinc/99/60/36/589996036.db2.gz JFSVWDXLEPNGNC-BETUJISGSA-N 2 2 247.346 0.490 20 0 BCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cnc(N)cn1)C2 ZINC000873212329 589996038 /nfs/dbraw/zinc/99/60/38/589996038.db2.gz JFSVWDXLEPNGNC-BETUJISGSA-N 2 2 247.346 0.490 20 0 BCADLP C[C@@H](C[NH3+])[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211856 589996447 /nfs/dbraw/zinc/99/64/47/589996447.db2.gz FKFBQSWCIDHRCW-QMMMGPOBSA-N 3 2 225.361 0.831 20 0 BCADLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnc(N)cn1 ZINC000873213317 589996956 /nfs/dbraw/zinc/99/69/56/589996956.db2.gz VGMLKUMWYJOZDP-PSASIEDQSA-N 2 2 221.308 0.146 20 0 BCADLP Nc1cnc(C[NH2+]CC2([NH3+])CCCC2)cn1 ZINC000873213965 589996974 /nfs/dbraw/zinc/99/69/74/589996974.db2.gz SQSPEUHRCXUAIV-UHFFFAOYSA-N 2 2 221.308 0.420 20 0 BCADLP C[NH2+]CCC[N@H+](C)Cc1cnc(N)cn1 ZINC000873212913 589997493 /nfs/dbraw/zinc/99/74/93/589997493.db2.gz CIQTVMISHWDUSS-UHFFFAOYSA-N 2 2 209.297 0.100 20 0 BCADLP C[NH2+]CCC[N@@H+](C)Cc1cnc(N)cn1 ZINC000873212913 589997495 /nfs/dbraw/zinc/99/74/95/589997495.db2.gz CIQTVMISHWDUSS-UHFFFAOYSA-N 2 2 209.297 0.100 20 0 BCADLP Nc1cnc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cn1 ZINC000873213643 589997586 /nfs/dbraw/zinc/99/75/86/589997586.db2.gz KNKUYSQBZFQPOU-NXEZZACHSA-N 2 2 221.308 0.418 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cnc(N)cn3)CC[C@H]21 ZINC000873221614 589999982 /nfs/dbraw/zinc/99/99/82/589999982.db2.gz LQIFCXUPFLMOKK-ZYHUDNBSSA-N 2 2 247.346 0.585 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cnc(N)cn3)CC[C@H]21 ZINC000873221614 589999984 /nfs/dbraw/zinc/99/99/84/589999984.db2.gz LQIFCXUPFLMOKK-ZYHUDNBSSA-N 2 2 247.346 0.585 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cnc(N)cn3)CC[C@H]21 ZINC000873221614 589999987 /nfs/dbraw/zinc/99/99/87/589999987.db2.gz LQIFCXUPFLMOKK-ZYHUDNBSSA-N 2 2 247.346 0.585 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cnc(N)cn3)CC[C@H]21 ZINC000873221614 589999988 /nfs/dbraw/zinc/99/99/88/589999988.db2.gz LQIFCXUPFLMOKK-ZYHUDNBSSA-N 2 2 247.346 0.585 20 0 BCADLP CC(C)(C)[NH2+]CC[NH+]1CCC(CO)(CO)CC1 ZINC000873228287 590000988 /nfs/dbraw/zinc/00/09/88/590000988.db2.gz RNVCXYWXTDPLFI-UHFFFAOYSA-N 2 2 244.379 0.441 20 0 BCADLP Cn1cc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)cn1 ZINC000873229435 590001787 /nfs/dbraw/zinc/00/17/87/590001787.db2.gz YRGKMKYLSVRWTR-VXGBXAGGSA-N 2 2 220.320 0.794 20 0 BCADLP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000873253973 590009481 /nfs/dbraw/zinc/00/94/81/590009481.db2.gz IHOWCSVJMMMFAC-YFKTTZPYSA-N 3 2 223.364 0.939 20 0 BCADLP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000873253973 590009485 /nfs/dbraw/zinc/00/94/85/590009485.db2.gz IHOWCSVJMMMFAC-YFKTTZPYSA-N 3 2 223.364 0.939 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254431 590010268 /nfs/dbraw/zinc/01/02/68/590010268.db2.gz TVWPPJKUYZSHDC-DCQANWLSSA-N 3 2 223.364 0.796 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254431 590010271 /nfs/dbraw/zinc/01/02/71/590010271.db2.gz TVWPPJKUYZSHDC-DCQANWLSSA-N 3 2 223.364 0.796 20 0 BCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256262 590010907 /nfs/dbraw/zinc/01/09/07/590010907.db2.gz NJBFRJMLWBJZJZ-BJDJZHNGSA-N 3 2 227.352 0.080 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257512 590012513 /nfs/dbraw/zinc/01/25/13/590012513.db2.gz TVWPPJKUYZSHDC-ZPFDUUQYSA-N 3 2 223.364 0.796 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257512 590012515 /nfs/dbraw/zinc/01/25/15/590012515.db2.gz TVWPPJKUYZSHDC-ZPFDUUQYSA-N 3 2 223.364 0.796 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@H]1Cc2ccccc2C[NH2+]1 ZINC000873294919 590023975 /nfs/dbraw/zinc/02/39/75/590023975.db2.gz VYNYPXCUXZPWCB-ZWNOBZJWSA-N 2 2 247.342 0.554 20 0 BCADLP Cc1nonc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000873295530 590024374 /nfs/dbraw/zinc/02/43/74/590024374.db2.gz JLCFUZGSMYKXIV-PSASIEDQSA-N 2 2 224.308 0.856 20 0 BCADLP 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CC1(C)CC[NH2+]CCN1CC[NH+]1CCOCC1 ZINC000212543531 591413449 /nfs/dbraw/zinc/41/34/49/591413449.db2.gz JFQOBQOLCAVOIE-UHFFFAOYSA-N 2 2 241.379 0.393 20 0 BCADLP [NH3+][C@@H](CC(=O)NCc1[nH]cc[nH+]1)C1CC1 ZINC000129902801 591417915 /nfs/dbraw/zinc/41/79/15/591417915.db2.gz VASVGLIVCRHIHP-QMMMGPOBSA-N 2 2 208.265 0.153 20 0 BCADLP [NH3+][C@@H]1CC[N@H+](C[C@@H]2CCC3(CCOCC3)O2)C1 ZINC000883415499 591652962 /nfs/dbraw/zinc/65/29/62/591652962.db2.gz WYUGCVGNEAMZMR-NEPJUHHUSA-N 2 2 240.347 0.748 20 0 BCADLP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCOCC3)O2)C1 ZINC000883415499 591652965 /nfs/dbraw/zinc/65/29/65/591652965.db2.gz WYUGCVGNEAMZMR-NEPJUHHUSA-N 2 2 240.347 0.748 20 0 BCADLP NC(=O)C1([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CCCCC1 ZINC000883422950 591657553 /nfs/dbraw/zinc/65/75/53/591657553.db2.gz YIEVYPIGHRCNLY-UWVGGRQHSA-N 2 2 243.326 0.464 20 0 BCADLP Cc1cn(C(C)(C)C(=O)NCC[NH3+])c[nH+]1 ZINC000884004945 591793462 /nfs/dbraw/zinc/79/34/62/591793462.db2.gz PLUVZDHTEXKDJG-UHFFFAOYSA-N 2 2 210.281 0.002 20 0 BCADLP Nc1ccc(NC(=O)[C@@H]([NH3+])CC2CC2)c[nH+]1 ZINC000884025251 591806123 /nfs/dbraw/zinc/80/61/23/591806123.db2.gz QOYFXVOTEDCJLC-VIFPVBQESA-N 2 2 220.276 0.730 20 0 BCADLP Cc1cn(C(C)(C)C(=O)NCC(C)(C)[NH3+])c[nH+]1 ZINC000884038305 591819966 /nfs/dbraw/zinc/81/99/66/591819966.db2.gz CLIQGCYNXFLVQU-UHFFFAOYSA-N 2 2 238.335 0.780 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000884365324 591917483 /nfs/dbraw/zinc/91/74/83/591917483.db2.gz HQSVIGGILRBWTL-YJFSRANCSA-N 2 2 248.330 0.755 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000884365324 591917484 /nfs/dbraw/zinc/91/74/84/591917484.db2.gz HQSVIGGILRBWTL-YJFSRANCSA-N 2 2 248.330 0.755 20 0 BCADLP C[NH2+]C[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000884420010 591928547 /nfs/dbraw/zinc/92/85/47/591928547.db2.gz HYRORQSFBLEJFG-VIFPVBQESA-N 2 2 238.335 0.651 20 0 BCADLP Cc1nc(NCC[N@@H+](C)CCO)c(C)c(C)[nH+]1 ZINC000884824875 592018105 /nfs/dbraw/zinc/01/81/05/592018105.db2.gz TZTJYTZUYPVFLM-UHFFFAOYSA-N 2 2 238.335 0.738 20 0 BCADLP Cn1c2ccccc2[nH+]c1NCC[N@H+](C)CCO ZINC000884824622 592021722 /nfs/dbraw/zinc/02/17/22/592021722.db2.gz FGNLXUHVSZSIFQ-UHFFFAOYSA-N 2 2 248.330 0.909 20 0 BCADLP Cn1c2ccccc2[nH+]c1NCC[N@@H+](C)CCO ZINC000884824622 592021724 /nfs/dbraw/zinc/02/17/24/592021724.db2.gz FGNLXUHVSZSIFQ-UHFFFAOYSA-N 2 2 248.330 0.909 20 0 BCADLP Cc1n[nH]c(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1C ZINC000886065945 592142345 /nfs/dbraw/zinc/14/23/45/592142345.db2.gz ZLTWRTFJWYAKKE-GFCCVEGCSA-N 2 2 238.335 0.183 20 0 BCADLP Cc1n[nH]c(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1C ZINC000886065945 592142348 /nfs/dbraw/zinc/14/23/48/592142348.db2.gz ZLTWRTFJWYAKKE-GFCCVEGCSA-N 2 2 238.335 0.183 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@H]([NH3+])C1CC1 ZINC000137259181 592164518 /nfs/dbraw/zinc/16/45/18/592164518.db2.gz SSTMALSJAZEFEY-ONGXEEELSA-N 2 2 236.319 0.515 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H](CO)C[C@H]1CCCO1 ZINC000886225675 592180484 /nfs/dbraw/zinc/18/04/84/592180484.db2.gz APDYEFXAZVZSCL-XQHKEYJVSA-N 2 2 242.363 0.456 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H](CO)C[C@H]1CCCO1 ZINC000886225675 592180485 /nfs/dbraw/zinc/18/04/85/592180485.db2.gz APDYEFXAZVZSCL-XQHKEYJVSA-N 2 2 242.363 0.456 20 0 BCADLP O[C@@H]1C[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)C[C@@H]1O ZINC000886244847 592184728 /nfs/dbraw/zinc/18/47/28/592184728.db2.gz BORDLZMRWBGSBI-WLLOZRIZSA-N 2 2 247.298 0.308 20 0 BCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]CC[NH+](C)C)C1 ZINC000886608790 592274464 /nfs/dbraw/zinc/27/44/64/592274464.db2.gz FZODUILTAQHZBR-ZJUUUORDSA-N 2 2 214.309 0.479 20 0 BCADLP COC(=O)[C@H]1CC[C@@H]([NH2+]CC[NH+](C)C)C1 ZINC000886608789 592274699 /nfs/dbraw/zinc/27/46/99/592274699.db2.gz FZODUILTAQHZBR-VHSXEESVSA-N 2 2 214.309 0.479 20 0 BCADLP [NH3+]CC[N@H+](CCO)CC[C@@H]1C[C@H]1C1CC1 ZINC000886832494 592354372 /nfs/dbraw/zinc/35/43/72/592354372.db2.gz JGBMZXSQLCQDAG-NEPJUHHUSA-N 2 2 212.337 0.676 20 0 BCADLP [NH3+]CC[N@@H+](CCO)CC[C@@H]1C[C@H]1C1CC1 ZINC000886832494 592354375 /nfs/dbraw/zinc/35/43/75/592354375.db2.gz JGBMZXSQLCQDAG-NEPJUHHUSA-N 2 2 212.337 0.676 20 0 BCADLP CC[N@H+](CCOC(F)F)[C@H]1CC[NH2+]C1 ZINC000886846531 592363837 /nfs/dbraw/zinc/36/38/37/592363837.db2.gz CZWXZSWETFWLKJ-QMMMGPOBSA-N 2 2 208.252 0.909 20 0 BCADLP CC[N@@H+](CCOC(F)F)[C@H]1CC[NH2+]C1 ZINC000886846531 592363842 /nfs/dbraw/zinc/36/38/42/592363842.db2.gz CZWXZSWETFWLKJ-QMMMGPOBSA-N 2 2 208.252 0.909 20 0 BCADLP O=C1OCC[C@H]1[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872441 592376731 /nfs/dbraw/zinc/37/67/31/592376731.db2.gz SFAICVKAZDFXJA-DGCLKSJQSA-N 2 2 238.331 0.768 20 0 BCADLP O=C1OCC[C@H]1[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872441 592376735 /nfs/dbraw/zinc/37/67/35/592376735.db2.gz SFAICVKAZDFXJA-DGCLKSJQSA-N 2 2 238.331 0.768 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130238 592448924 /nfs/dbraw/zinc/44/89/24/592448924.db2.gz ABOCJVCJZYEGMX-MNOVXSKESA-N 2 2 248.330 0.466 20 0 BCADLP C[C@@H](C(N)=O)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130238 592448930 /nfs/dbraw/zinc/44/89/30/592448930.db2.gz ABOCJVCJZYEGMX-MNOVXSKESA-N 2 2 248.330 0.466 20 0 BCADLP Cn1c[nH+]c(CCNC(=[NH2+])NCC(F)F)c1 ZINC000887361605 592490820 /nfs/dbraw/zinc/49/08/20/592490820.db2.gz BWBIUUNBBLEEMQ-UHFFFAOYSA-N 2 2 231.250 0.342 20 0 BCADLP CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027091551 634437320 /nfs/dbraw/zinc/43/73/20/634437320.db2.gz PAKBHESAACTODK-SNVBAGLBSA-N 2 2 236.319 0.410 20 0 BCADLP CC(C)CNC(=[NH2+])NCCc1cn(C)c[nH+]1 ZINC000313471902 634461654 /nfs/dbraw/zinc/46/16/54/634461654.db2.gz ZRGPAZISTZSPMY-UHFFFAOYSA-N 2 2 223.324 0.733 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335512351 634479876 /nfs/dbraw/zinc/47/98/76/634479876.db2.gz UFQINBOGHLDXJA-CYBMUJFWSA-N 2 2 248.330 0.628 20 0 BCADLP CCS(=O)(=O)CC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000082645443 634515715 /nfs/dbraw/zinc/51/57/15/634515715.db2.gz ZDFIWCGQGHXHHN-MNOVXSKESA-N 2 2 248.392 0.480 20 0 BCADLP CCS(=O)(=O)CC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000082645443 634515717 /nfs/dbraw/zinc/51/57/17/634515717.db2.gz ZDFIWCGQGHXHHN-MNOVXSKESA-N 2 2 248.392 0.480 20 0 BCADLP c1cc(CC[NH2+][C@H]2CC[NH2+]C2)c2c(c1)OCCO2 ZINC000925873714 635592442 /nfs/dbraw/zinc/59/24/42/635592442.db2.gz CKPIQSBRJAWAGT-LBPRGKRZSA-N 2 2 248.326 0.952 20 0 BCADLP c1cc(CC[NH2+][C@@H]2CC[NH2+]C2)c2c(c1)OCCO2 ZINC000925873712 635593341 /nfs/dbraw/zinc/59/33/41/635593341.db2.gz CKPIQSBRJAWAGT-GFCCVEGCSA-N 2 2 248.326 0.952 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CCOC1CCOCC1 ZINC000925877424 635603413 /nfs/dbraw/zinc/60/34/13/635603413.db2.gz IGNOMVPDUWOETE-GFCCVEGCSA-N 2 2 242.363 0.912 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCOC1CCOCC1 ZINC000925878209 635604196 /nfs/dbraw/zinc/60/41/96/635604196.db2.gz RKKQARJXEGSTIN-WCQYABFASA-N 2 2 242.363 0.912 20 0 BCADLP C[C@H](CCO)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000308600329 631444042 /nfs/dbraw/zinc/44/40/42/631444042.db2.gz ANKBLTMLPCMRIV-GHMZBOCLSA-N 2 2 200.326 0.689 20 0 BCADLP C[C@H](CCO)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000308600329 631444045 /nfs/dbraw/zinc/44/40/45/631444045.db2.gz ANKBLTMLPCMRIV-GHMZBOCLSA-N 2 2 200.326 0.689 20 0 BCADLP C[C@@H](CCO)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000308600340 631443693 /nfs/dbraw/zinc/44/36/93/631443693.db2.gz ANKBLTMLPCMRIV-QWRGUYRKSA-N 2 2 200.326 0.689 20 0 BCADLP C[C@@H](CCO)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000308600340 631443702 /nfs/dbraw/zinc/44/37/02/631443702.db2.gz ANKBLTMLPCMRIV-QWRGUYRKSA-N 2 2 200.326 0.689 20 0 BCADLP C[C@@H](CCO)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000308600335 631445588 /nfs/dbraw/zinc/44/55/88/631445588.db2.gz ANKBLTMLPCMRIV-MNOVXSKESA-N 2 2 200.326 0.689 20 0 BCADLP C[C@@H](CCO)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000308600335 631445591 /nfs/dbraw/zinc/44/55/91/631445591.db2.gz ANKBLTMLPCMRIV-MNOVXSKESA-N 2 2 200.326 0.689 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001022888270 632031030 /nfs/dbraw/zinc/03/10/30/632031030.db2.gz GALDIUCVTIKBSU-DTORHVGOSA-N 2 2 240.282 0.159 20 0 BCADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000310355345 632726042 /nfs/dbraw/zinc/72/60/42/632726042.db2.gz QPJKTSWFJIUQJT-IJLUTSLNSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000310355345 632726044 /nfs/dbraw/zinc/72/60/44/632726044.db2.gz QPJKTSWFJIUQJT-IJLUTSLNSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]CC(C)(C)[NH+](C)C ZINC000310415597 632737875 /nfs/dbraw/zinc/73/78/75/632737875.db2.gz JWONXPGTJHUMGD-GHMZBOCLSA-N 2 2 241.379 0.973 20 0 BCADLP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]CC(C)(C)[NH+](C)C ZINC000310415604 632738354 /nfs/dbraw/zinc/73/83/54/632738354.db2.gz JWONXPGTJHUMGD-QWRGUYRKSA-N 2 2 241.379 0.973 20 0 BCADLP OCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924536921 632769561 /nfs/dbraw/zinc/76/95/61/632769561.db2.gz VGXBASWNRSLZIG-VXGBXAGGSA-N 2 2 212.337 0.975 20 0 BCADLP OCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924536921 632769566 /nfs/dbraw/zinc/76/95/66/632769566.db2.gz VGXBASWNRSLZIG-VXGBXAGGSA-N 2 2 212.337 0.975 20 0 BCADLP C[C@@H]1CC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000309204927 632810596 /nfs/dbraw/zinc/81/05/96/632810596.db2.gz MGHKKHOIDACDFN-MNOVXSKESA-N 2 2 225.336 0.149 20 0 BCADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@H](C)[NH+](C)C ZINC000309239376 632833744 /nfs/dbraw/zinc/83/37/44/632833744.db2.gz MFEPUEVGRSDKRM-OUAUKWLOSA-N 2 2 227.352 0.583 20 0 BCADLP FC1(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000309573402 633203749 /nfs/dbraw/zinc/20/37/49/633203749.db2.gz NTZRSFSLTUBAFP-WDEREUQCSA-N 2 2 228.311 0.941 20 0 BCADLP FC1(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000309573402 633203752 /nfs/dbraw/zinc/20/37/52/633203752.db2.gz NTZRSFSLTUBAFP-WDEREUQCSA-N 2 2 228.311 0.941 20 0 BCADLP C[C@@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC000928434467 635929800 /nfs/dbraw/zinc/92/98/00/635929800.db2.gz DWFUJWSHWHEYLC-MWLCHTKSSA-N 2 2 236.319 0.171 20 0 BCADLP C[C@@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1C ZINC000928434467 635929802 /nfs/dbraw/zinc/92/98/02/635929802.db2.gz DWFUJWSHWHEYLC-MWLCHTKSSA-N 2 2 236.319 0.171 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000309723592 633231941 /nfs/dbraw/zinc/23/19/41/633231941.db2.gz CMMIAZMDXDYNBK-GHMZBOCLSA-N 2 2 227.352 0.714 20 0 BCADLP C[C@H](C[NH2+][C@@H](C)CC(N)=O)[NH+]1CCCCC1 ZINC000309723596 633232407 /nfs/dbraw/zinc/23/24/07/633232407.db2.gz CMMIAZMDXDYNBK-WDEREUQCSA-N 2 2 227.352 0.714 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000309723593 633232543 /nfs/dbraw/zinc/23/25/43/633232543.db2.gz CMMIAZMDXDYNBK-MNOVXSKESA-N 2 2 227.352 0.714 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328511295 633775264 /nfs/dbraw/zinc/77/52/64/633775264.db2.gz BMKPUXVKGIWZTL-QSLWVIQJSA-N 3 2 246.358 0.778 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@H]1CCCO1 ZINC000309982868 634025731 /nfs/dbraw/zinc/02/57/31/634025731.db2.gz BOUXIIVUCVYSHA-CHWSQXEVSA-N 2 2 242.363 0.554 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@H]1CCCO1 ZINC000309982868 634025738 /nfs/dbraw/zinc/02/57/38/634025738.db2.gz BOUXIIVUCVYSHA-CHWSQXEVSA-N 2 2 242.363 0.554 20 0 BCADLP c1cnc(NCC[NH2+][C@H]2CC[NH2+]C23CCC3)cn1 ZINC000925556732 634031494 /nfs/dbraw/zinc/03/14/94/634031494.db2.gz MHOVDXUGKPCVIQ-NSHDSACASA-N 2 2 247.346 0.763 20 0 BCADLP CCC(=O)N1CC[C@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)C1 ZINC000925561430 634045011 /nfs/dbraw/zinc/04/50/11/634045011.db2.gz QLDDHUWIXFDAMB-SRVKXCTJSA-N 2 2 239.363 0.727 20 0 BCADLP CC(C)N1C[C@@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)CC1=O ZINC000925580754 634083519 /nfs/dbraw/zinc/08/35/19/634083519.db2.gz MHYBNRHOGALZQL-SRVKXCTJSA-N 2 2 239.363 0.726 20 0 BCADLP COC[C@@H](CCO)[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925614057 634154759 /nfs/dbraw/zinc/15/47/59/634154759.db2.gz WVQSVVXVYCUWLT-NXEZZACHSA-N 2 2 216.325 0.114 20 0 BCADLP C[C@@H]1C[C@@H](C[NH2+][C@H]2C[NH2+]CCOC2)C[C@H](C)O1 ZINC000925654450 634216458 /nfs/dbraw/zinc/21/64/58/634216458.db2.gz MNRQRAFHXLXBDN-RNJOBUHISA-N 2 2 242.363 0.768 20 0 BCADLP FCC1(C[NH2+][C@@H]2C[NH2+]CCOC2)CCOCC1 ZINC000925682842 634284569 /nfs/dbraw/zinc/28/45/69/634284569.db2.gz GFKURTNRJWZAOI-LLVKDONJSA-N 2 2 246.326 0.331 20 0 BCADLP C1[C@@H]2[C@H]1CCC[C@H]2[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925686359 634299880 /nfs/dbraw/zinc/29/98/80/634299880.db2.gz SBOURLJHESRAGN-IRCOFANPSA-N 2 2 210.321 0.753 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925696207 634353270 /nfs/dbraw/zinc/35/32/70/634353270.db2.gz YCFQDENEAHNUGM-YFKTTZPYSA-N 3 2 223.364 0.973 20 0 BCADLP CC1(C)[C@H]([NH2+]CC2C[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925699046 634366771 /nfs/dbraw/zinc/36/67/71/634366771.db2.gz MPXOWNFMHQBTCR-GRYCIOLGSA-N 3 2 223.364 0.572 20 0 BCADLP CN(C)c1cc(N(C)C2CC[NH2+]CC2)nc[nH+]1 ZINC000258639561 635179573 /nfs/dbraw/zinc/17/95/73/635179573.db2.gz FQQXZHIJWZBVPT-UHFFFAOYSA-N 2 2 235.335 0.731 20 0 BCADLP CN(C)c1cc(N(C)C2CC[NH2+]CC2)[nH+]cn1 ZINC000258639561 635179575 /nfs/dbraw/zinc/17/95/75/635179575.db2.gz FQQXZHIJWZBVPT-UHFFFAOYSA-N 2 2 235.335 0.731 20 0 BCADLP C[NH+]1CCC(C[NH2+]CCn2cc[nH+]c2)CC1 ZINC000054243531 636242779 /nfs/dbraw/zinc/24/27/79/636242779.db2.gz WCAWAPKJFYBNHS-UHFFFAOYSA-N 3 2 222.336 0.815 20 0 BCADLP CCCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000322286893 636850056 /nfs/dbraw/zinc/85/00/56/636850056.db2.gz ZYQBAKFCISAJHW-UHFFFAOYSA-N 2 2 242.367 0.509 20 0 BCADLP CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000989857873 636887461 /nfs/dbraw/zinc/88/74/61/636887461.db2.gz UAXUUEAKRGIGTM-WDEREUQCSA-N 2 2 236.319 0.482 20 0 BCADLP CON1CCC([NH2+]CCn2cc[nH+]c2)CC1 ZINC000323136317 636903479 /nfs/dbraw/zinc/90/34/79/636903479.db2.gz VQYXGVJIAJRJQU-UHFFFAOYSA-N 2 2 224.308 0.499 20 0 BCADLP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000866708615 636930637 /nfs/dbraw/zinc/93/06/37/636930637.db2.gz SDPRICBHIXHJPV-MFKMUULPSA-N 2 2 240.347 0.999 20 0 BCADLP CC(C)(C)[C@]1(C[NH3+])CC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000866708615 636930644 /nfs/dbraw/zinc/93/06/44/636930644.db2.gz SDPRICBHIXHJPV-MFKMUULPSA-N 2 2 240.347 0.999 20 0 BCADLP C[NH2+]C[C@H]1CCCCN1CC[NH+]1CCOCC1 ZINC000042407849 637229120 /nfs/dbraw/zinc/22/91/20/637229120.db2.gz MMLGSRMNRZDHGZ-CYBMUJFWSA-N 2 2 241.379 0.393 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CCCC[C@H]1C[NH2+]C ZINC000903529047 637367369 /nfs/dbraw/zinc/36/73/69/637367369.db2.gz FCMFCFOHYOKKCP-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CCCC[C@H]1C[NH2+]C ZINC000903529047 637367371 /nfs/dbraw/zinc/36/73/71/637367371.db2.gz FCMFCFOHYOKKCP-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP O[C@@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C[C@H]1F ZINC000903841365 637385220 /nfs/dbraw/zinc/38/52/20/637385220.db2.gz XAHJBYFRGDSVOY-IVZWLZJFSA-N 2 2 202.273 0.001 20 0 BCADLP O[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C[C@H]1F ZINC000903841365 637385223 /nfs/dbraw/zinc/38/52/23/637385223.db2.gz XAHJBYFRGDSVOY-IVZWLZJFSA-N 2 2 202.273 0.001 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@](C)(O)C(F)F ZINC000905047985 637566460 /nfs/dbraw/zinc/56/64/60/637566460.db2.gz WDTGHLNPDTUADJ-WCBMZHEXSA-N 2 2 233.262 0.877 20 0 BCADLP C[C@@](O)(C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C(F)F ZINC000905264749 637718288 /nfs/dbraw/zinc/71/82/88/637718288.db2.gz WDSQYLAPTPGRQY-WRWORJQWSA-N 2 2 245.273 0.873 20 0 BCADLP CC1(C)C[NH2+][C@@H]1c1nc(C2([NH3+])CC2)no1 ZINC000905325744 637757442 /nfs/dbraw/zinc/75/74/42/637757442.db2.gz XNMOYYGSSVJRAT-ZCFIWIBFSA-N 2 2 208.265 0.688 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)Nc1cc(N(C)C)[nH+]cn1 ZINC000905636848 637866980 /nfs/dbraw/zinc/86/69/80/637866980.db2.gz DOYVCKKNPJUYAG-HTQZYQBOSA-N 2 2 209.297 0.690 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)Nc1cc(N(C)C)[nH+]cn1 ZINC000905636950 637867496 /nfs/dbraw/zinc/86/74/96/637867496.db2.gz DOYVCKKNPJUYAG-SFYZADRCSA-N 2 2 209.297 0.690 20 0 BCADLP CC[NH+]1CCC([NH2+][C@H]2CCN(OC)C2=O)CC1 ZINC000905763711 637918639 /nfs/dbraw/zinc/91/86/39/637918639.db2.gz ZKXWUALCUYTELV-NSHDSACASA-N 2 2 241.335 0.223 20 0 BCADLP C[NH2+][C@H](C)c1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905815491 637942396 /nfs/dbraw/zinc/94/23/96/637942396.db2.gz IUHPXWGXCDGRGA-MRVPVSSYSA-N 2 2 232.291 0.584 20 0 BCADLP CC(C)[C@H]([NH3+])c1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905815505 637942402 /nfs/dbraw/zinc/94/24/02/637942402.db2.gz JDRVPMAZWQQRBT-LBPRGKRZSA-N 2 2 246.318 0.959 20 0 BCADLP C[C@@H](N[C@H]1CC[N@H+](C)C1)c1c[nH+]ccc1N ZINC000906498761 638173849 /nfs/dbraw/zinc/17/38/49/638173849.db2.gz DTFAWRRIOVOBQP-ZJUUUORDSA-N 2 2 220.320 0.849 20 0 BCADLP C[C@@H](N[C@H]1CC[N@@H+](C)C1)c1c[nH+]ccc1N ZINC000906498761 638173855 /nfs/dbraw/zinc/17/38/55/638173855.db2.gz DTFAWRRIOVOBQP-ZJUUUORDSA-N 2 2 220.320 0.849 20 0 BCADLP C[C@@H]([NH2+][C@H]1CCN(C)C1)c1c[nH+]ccc1N ZINC000906498761 638173860 /nfs/dbraw/zinc/17/38/60/638173860.db2.gz DTFAWRRIOVOBQP-ZJUUUORDSA-N 2 2 220.320 0.849 20 0 BCADLP COC(=O)c1coc(C[NH2+]C2CC([NH3+])C2)c1 ZINC000906509228 638182329 /nfs/dbraw/zinc/18/23/29/638182329.db2.gz BFPGNQQJNBHLHZ-UHFFFAOYSA-N 2 2 224.260 0.646 20 0 BCADLP COC(=O)c1ccc(C[NH2+]C2CC([NH3+])C2)o1 ZINC000906510095 638184183 /nfs/dbraw/zinc/18/41/83/638184183.db2.gz MMQHNYMOAWCVBI-UHFFFAOYSA-N 2 2 224.260 0.646 20 0 BCADLP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000906517592 638188035 /nfs/dbraw/zinc/18/80/35/638188035.db2.gz IBJBOIAAYDHPEH-PJSNJIKXSA-N 3 2 223.364 0.986 20 0 BCADLP CCN(CCC[NH+](C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC000907650324 638434677 /nfs/dbraw/zinc/43/46/77/638434677.db2.gz JSZDRIJQYFKFTO-UHFFFAOYSA-N 2 2 238.335 0.752 20 0 BCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000908348392 638660690 /nfs/dbraw/zinc/66/06/90/638660690.db2.gz OAUVYGXMPXCYNA-GXSJLCMTSA-N 2 2 234.303 0.115 20 0 BCADLP C[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000908348392 638660698 /nfs/dbraw/zinc/66/06/98/638660698.db2.gz OAUVYGXMPXCYNA-GXSJLCMTSA-N 2 2 234.303 0.115 20 0 BCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000908445016 638719274 /nfs/dbraw/zinc/71/92/74/638719274.db2.gz ZOIQJTYDVVNYGV-LLVKDONJSA-N 2 2 236.319 0.505 20 0 BCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000908445016 638719278 /nfs/dbraw/zinc/71/92/78/638719278.db2.gz ZOIQJTYDVVNYGV-LLVKDONJSA-N 2 2 236.319 0.505 20 0 BCADLP C[NH2+]C[C@H]1CCCN(C(=O)C[C@H]([NH3+])C(F)F)C1 ZINC000911636373 639679921 /nfs/dbraw/zinc/67/99/21/639679921.db2.gz XAUHCKKKSCVTJM-BDAKNGLRSA-N 2 2 249.305 0.427 20 0 BCADLP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000911620694 639682828 /nfs/dbraw/zinc/68/28/28/639682828.db2.gz RYMUUDWGRSTUOG-GHMZBOCLSA-N 2 2 248.330 0.395 20 0 BCADLP [NH3+][C@H](CC(=O)NCC1([NH3+])CCCCC1)C(F)F ZINC000911652950 639710682 /nfs/dbraw/zinc/71/06/82/639710682.db2.gz ZIDLJDMNKPFFGO-MRVPVSSYSA-N 2 2 249.305 0.747 20 0 BCADLP C[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000911679287 639721132 /nfs/dbraw/zinc/72/11/32/639721132.db2.gz YDVWDBPCFPYNEK-SECBINFHSA-N 2 2 224.308 0.314 20 0 BCADLP C[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000911679287 639721140 /nfs/dbraw/zinc/72/11/40/639721140.db2.gz YDVWDBPCFPYNEK-SECBINFHSA-N 2 2 224.308 0.314 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000911683004 639724351 /nfs/dbraw/zinc/72/43/51/639724351.db2.gz DRTGFEJVISHNIF-VHSXEESVSA-N 2 2 236.319 0.681 20 0 BCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000911696183 639731616 /nfs/dbraw/zinc/73/16/16/639731616.db2.gz RZZGMQDZBYKMRA-IUCAKERBSA-N 2 2 222.292 0.066 20 0 BCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000911696183 639731618 /nfs/dbraw/zinc/73/16/18/639731618.db2.gz RZZGMQDZBYKMRA-IUCAKERBSA-N 2 2 222.292 0.066 20 0 BCADLP C[NH2+][C@H]1CCCN(C(=O)C[C@H]([NH3+])C(F)F)C1 ZINC000911737655 639764132 /nfs/dbraw/zinc/76/41/32/639764132.db2.gz XYESXJPPFIREPK-YUMQZZPRSA-N 2 2 235.278 0.179 20 0 BCADLP CC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000911751239 639777326 /nfs/dbraw/zinc/77/73/26/639777326.db2.gz UPMWMYKEQSCCBQ-SECBINFHSA-N 2 2 224.308 0.314 20 0 BCADLP CC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000911751239 639777333 /nfs/dbraw/zinc/77/73/33/639777333.db2.gz UPMWMYKEQSCCBQ-SECBINFHSA-N 2 2 224.308 0.314 20 0 BCADLP CC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000911751241 639777762 /nfs/dbraw/zinc/77/77/62/639777762.db2.gz UPMWMYKEQSCCBQ-VIFPVBQESA-N 2 2 224.308 0.314 20 0 BCADLP CC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000911751241 639777764 /nfs/dbraw/zinc/77/77/64/639777764.db2.gz UPMWMYKEQSCCBQ-VIFPVBQESA-N 2 2 224.308 0.314 20 0 BCADLP C[C@H]([NH3+])C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000911752828 639782471 /nfs/dbraw/zinc/78/24/71/639782471.db2.gz HJBKPAWOLYDHPB-VIFPVBQESA-N 2 2 236.319 0.538 20 0 BCADLP O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911752720 639782676 /nfs/dbraw/zinc/78/26/76/639782676.db2.gz XZPGVRZZYFUGNS-GHMZBOCLSA-N 2 2 248.330 0.314 20 0 BCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911781810 639797240 /nfs/dbraw/zinc/79/72/40/639797240.db2.gz AXFHJUUJBGJMRL-MWLCHTKSSA-N 2 2 236.319 0.409 20 0 BCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911781810 639797257 /nfs/dbraw/zinc/79/72/57/639797257.db2.gz AXFHJUUJBGJMRL-MWLCHTKSSA-N 2 2 236.319 0.409 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000911819318 639836499 /nfs/dbraw/zinc/83/64/99/639836499.db2.gz CQCJDKSLNSDRSG-NXEZZACHSA-N 2 2 236.319 0.538 20 0 BCADLP CC(C)C[C@@](C)(C[NH3+])NC(=O)Cc1[nH]cc[nH+]1 ZINC000911831409 639842967 /nfs/dbraw/zinc/84/29/67/639842967.db2.gz SBQNRUIZTSSVPQ-LBPRGKRZSA-N 2 2 238.335 0.832 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC000911818657 639850246 /nfs/dbraw/zinc/85/02/46/639850246.db2.gz AORTWOQPBCNFCY-DJLDLDEBSA-N 2 2 249.305 0.555 20 0 BCADLP C[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000911864524 639852254 /nfs/dbraw/zinc/85/22/54/639852254.db2.gz QWWQTMZBIPVTSP-VIFPVBQESA-N 2 2 222.292 0.163 20 0 BCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000911872237 639854567 /nfs/dbraw/zinc/85/45/67/639854567.db2.gz XKEACOSNWUSISW-SNVBAGLBSA-N 2 2 238.335 0.784 20 0 BCADLP CC1(C)C[NH2+]CCN1C(=O)C[C@@H]([NH3+])C(F)F ZINC000911848875 639858036 /nfs/dbraw/zinc/85/80/36/639858036.db2.gz VXWSLXYCCBZYFE-SSDOTTSWSA-N 2 2 235.278 0.179 20 0 BCADLP CCCC[C@H](C[NH3+])NC(=O)C[C@@H]([NH3+])C(F)F ZINC000911880254 639867172 /nfs/dbraw/zinc/86/71/72/639867172.db2.gz LEHHRBCCMZEYOZ-HTQZYQBOSA-N 2 2 237.294 0.603 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H]3COC(C)(C)O3)C[C@H]21 ZINC000931277990 640128089 /nfs/dbraw/zinc/12/80/89/640128089.db2.gz VCJYVHMFKWILMS-WYUUTHIRSA-N 2 2 240.347 0.630 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H]3COC(C)(C)O3)C[C@H]21 ZINC000931277990 640128093 /nfs/dbraw/zinc/12/80/93/640128093.db2.gz VCJYVHMFKWILMS-WYUUTHIRSA-N 2 2 240.347 0.630 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCOC3CC3)C[C@H]21 ZINC000931277878 640129683 /nfs/dbraw/zinc/12/96/83/640129683.db2.gz UGJVQDMRBZCCBH-GDNZZTSVSA-N 2 2 210.321 0.657 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCOC3CC3)C[C@H]21 ZINC000931277878 640129689 /nfs/dbraw/zinc/12/96/89/640129689.db2.gz UGJVQDMRBZCCBH-GDNZZTSVSA-N 2 2 210.321 0.657 20 0 BCADLP CCOCCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277709 640130542 /nfs/dbraw/zinc/13/05/42/640130542.db2.gz RSQYBVPGPKVHNU-ITGUQSILSA-N 2 2 242.363 0.531 20 0 BCADLP CCOCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277709 640130553 /nfs/dbraw/zinc/13/05/53/640130553.db2.gz RSQYBVPGPKVHNU-ITGUQSILSA-N 2 2 242.363 0.531 20 0 BCADLP Cn1c[nH+]cc1CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931279486 640131627 /nfs/dbraw/zinc/13/16/27/640131627.db2.gz JTKQVMQCEYLQTR-GDNZZTSVSA-N 2 2 220.320 0.412 20 0 BCADLP COC[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)OC ZINC000931281139 640133311 /nfs/dbraw/zinc/13/33/11/640133311.db2.gz OKJRVKTWPYLXRH-NNYUYHANSA-N 2 2 228.336 0.140 20 0 BCADLP COC[C@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)OC ZINC000931281139 640133316 /nfs/dbraw/zinc/13/33/16/640133316.db2.gz OKJRVKTWPYLXRH-NNYUYHANSA-N 2 2 228.336 0.140 20 0 BCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912909891 640233162 /nfs/dbraw/zinc/23/31/62/640233162.db2.gz KAOOXRYGBAORJH-NSHDSACASA-N 2 2 248.330 0.269 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912910510 640236608 /nfs/dbraw/zinc/23/66/08/640236608.db2.gz ZQRGLBJOKAAIQR-NSHDSACASA-N 2 2 248.330 0.567 20 0 BCADLP CN(C)C(=O)CC[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931718673 640334344 /nfs/dbraw/zinc/33/43/44/640334344.db2.gz CGLAGJMJPVQVIP-NEPJUHHUSA-N 2 2 239.363 0.633 20 0 BCADLP CN(C)C(=O)CC[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931718673 640334355 /nfs/dbraw/zinc/33/43/55/640334355.db2.gz CGLAGJMJPVQVIP-NEPJUHHUSA-N 2 2 239.363 0.633 20 0 BCADLP CN(C)C(=O)CC[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931718673 640334364 /nfs/dbraw/zinc/33/43/64/640334364.db2.gz CGLAGJMJPVQVIP-NEPJUHHUSA-N 2 2 239.363 0.633 20 0 BCADLP CN(C)C(=O)CC[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931718673 640334370 /nfs/dbraw/zinc/33/43/70/640334370.db2.gz CGLAGJMJPVQVIP-NEPJUHHUSA-N 2 2 239.363 0.633 20 0 BCADLP CC(C)C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166083073 640613164 /nfs/dbraw/zinc/61/31/64/640613164.db2.gz CNRNPTHIFDFQBD-WDEREUQCSA-N 2 2 200.326 0.999 20 0 BCADLP [NH3+][C@@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000165913464 640599386 /nfs/dbraw/zinc/59/93/86/640599386.db2.gz KHZMNKLLQRMSJC-OLZOCXBDSA-N 2 2 220.316 0.623 20 0 BCADLP [NH3+][C@@H]1CC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000165913464 640599393 /nfs/dbraw/zinc/59/93/93/640599393.db2.gz KHZMNKLLQRMSJC-OLZOCXBDSA-N 2 2 220.316 0.623 20 0 BCADLP COC[C@H](C)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166086496 640612936 /nfs/dbraw/zinc/61/29/36/640612936.db2.gz DVZMOVQCEAIEPK-OUAUKWLOSA-N 2 2 216.325 0.378 20 0 BCADLP COC[C@H](C)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000166086719 640613707 /nfs/dbraw/zinc/61/37/07/640613707.db2.gz DVZMOVQCEAIEPK-VWYCJHECSA-N 2 2 216.325 0.378 20 0 BCADLP NC(=O)C12CCC(CC1)[N@@H+]2CCCn1cc[nH+]c1 ZINC000932937193 640647457 /nfs/dbraw/zinc/64/74/57/640647457.db2.gz LXIQWECFHNGQGH-UHFFFAOYSA-N 2 2 248.330 0.756 20 0 BCADLP NC(=O)C12CCC(CC1)[N@H+]2CCCn1cc[nH+]c1 ZINC000932937193 640647460 /nfs/dbraw/zinc/64/74/60/640647460.db2.gz LXIQWECFHNGQGH-UHFFFAOYSA-N 2 2 248.330 0.756 20 0 BCADLP Cn1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cn1 ZINC000933740404 640757109 /nfs/dbraw/zinc/75/71/09/640757109.db2.gz SMSFQTJCRDDLIJ-OLZOCXBDSA-N 2 2 234.347 0.804 20 0 BCADLP Cn1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cn1 ZINC000933740404 640757113 /nfs/dbraw/zinc/75/71/13/640757113.db2.gz SMSFQTJCRDDLIJ-OLZOCXBDSA-N 2 2 234.347 0.804 20 0 BCADLP Cn1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cn1 ZINC000933740404 640757117 /nfs/dbraw/zinc/75/71/17/640757117.db2.gz SMSFQTJCRDDLIJ-OLZOCXBDSA-N 2 2 234.347 0.804 20 0 BCADLP Cn1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cn1 ZINC000933740404 640757120 /nfs/dbraw/zinc/75/71/20/640757120.db2.gz SMSFQTJCRDDLIJ-OLZOCXBDSA-N 2 2 234.347 0.804 20 0 BCADLP O=C1CC[C@H]2C[N@H+](C[C@H]3CCC[NH2+]3)CC[C@@H]2N1 ZINC000227650198 640844092 /nfs/dbraw/zinc/84/40/92/640844092.db2.gz CUYFTCIGONGRPQ-TUAOUCFPSA-N 2 2 237.347 0.339 20 0 BCADLP O=C1CC[C@H]2C[N@@H+](C[C@H]3CCC[NH2+]3)CC[C@@H]2N1 ZINC000227650198 640844095 /nfs/dbraw/zinc/84/40/95/640844095.db2.gz CUYFTCIGONGRPQ-TUAOUCFPSA-N 2 2 237.347 0.339 20 0 BCADLP CC[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001030532969 640899959 /nfs/dbraw/zinc/89/99/59/640899959.db2.gz BGABGAJVWLSLNR-LLVKDONJSA-N 2 2 225.336 0.291 20 0 BCADLP CC[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001030532969 640899964 /nfs/dbraw/zinc/89/99/64/640899964.db2.gz BGABGAJVWLSLNR-LLVKDONJSA-N 2 2 225.336 0.291 20 0 BCADLP CN1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000061988623 641013278 /nfs/dbraw/zinc/01/32/78/641013278.db2.gz OTIAWGDRZLNCOE-GFCCVEGCSA-N 2 2 223.364 0.907 20 0 BCADLP CC[N@H+](C[C@@H](O)CC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000307930433 641194174 /nfs/dbraw/zinc/19/41/74/641194174.db2.gz BDKGIVXCURIGNM-BDAKNGLRSA-N 2 2 240.269 0.984 20 0 BCADLP CC[N@@H+](C[C@@H](O)CC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000307930433 641194181 /nfs/dbraw/zinc/19/41/81/641194181.db2.gz BDKGIVXCURIGNM-BDAKNGLRSA-N 2 2 240.269 0.984 20 0 BCADLP CN(CCCn1cc[nH+]c1)C[C@H]1CCC[NH2+]1 ZINC000234271139 641205512 /nfs/dbraw/zinc/20/55/12/641205512.db2.gz PDCFKTBKMMMZNF-GFCCVEGCSA-N 2 2 222.336 0.957 20 0 BCADLP [NH3+][C@@H]1CC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000232148763 641249059 /nfs/dbraw/zinc/24/90/59/641249059.db2.gz OWSCWFCPDDQETC-VXGBXAGGSA-N 2 2 212.337 0.961 20 0 BCADLP [NH3+][C@@H]1CC[N@@H+](C[C@H](O)CC2CCCC2)C1 ZINC000232148763 641249066 /nfs/dbraw/zinc/24/90/66/641249066.db2.gz OWSCWFCPDDQETC-VXGBXAGGSA-N 2 2 212.337 0.961 20 0 BCADLP C([C@@H]1C[C@H]2COC[C@H]2O1)[N@@H+]1CCC[NH2+]CC1 ZINC000675080155 641342025 /nfs/dbraw/zinc/34/20/25/641342025.db2.gz NPDWVIUINJRRPW-SDDRHHMPSA-N 2 2 226.320 0.086 20 0 BCADLP C([C@@H]1C[C@H]2COC[C@H]2O1)[N@H+]1CCC[NH2+]CC1 ZINC000675080155 641342033 /nfs/dbraw/zinc/34/20/33/641342033.db2.gz NPDWVIUINJRRPW-SDDRHHMPSA-N 2 2 226.320 0.086 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC12CC[NH+](CC1)C2 ZINC000913630035 641433613 /nfs/dbraw/zinc/43/36/13/641433613.db2.gz WLWRFPVBOQIYQE-SNVBAGLBSA-N 2 2 223.320 0.045 20 0 BCADLP C[N@H+]1CCC[C@@H]1C(=O)NC12CC[NH+](CC1)C2 ZINC000913630035 641433614 /nfs/dbraw/zinc/43/36/14/641433614.db2.gz WLWRFPVBOQIYQE-SNVBAGLBSA-N 2 2 223.320 0.045 20 0 BCADLP C[C@H](CC(=O)NC12CC[NH+](CC1)C2)n1cc[nH+]c1 ZINC000913635458 641438051 /nfs/dbraw/zinc/43/80/51/641438051.db2.gz FZHWCRSFQBGBPF-LLVKDONJSA-N 2 2 248.330 0.799 20 0 BCADLP Cn1cc(C[N@H+](C)CCC[NH2+]C2CC2)cn1 ZINC000042489277 641553311 /nfs/dbraw/zinc/55/33/11/641553311.db2.gz MZEBNUHJWYWRQV-UHFFFAOYSA-N 2 2 222.336 0.994 20 0 BCADLP Cn1cc(C[N@@H+](C)CCC[NH2+]C2CC2)cn1 ZINC000042489277 641553318 /nfs/dbraw/zinc/55/33/18/641553318.db2.gz MZEBNUHJWYWRQV-UHFFFAOYSA-N 2 2 222.336 0.994 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)CC[N@@H+]1C ZINC000155865009 641585945 /nfs/dbraw/zinc/58/59/45/641585945.db2.gz IBYJUUMRZORNSY-CIUDSAMLSA-N 2 2 240.269 0.982 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)CC[N@H+]1C ZINC000155865009 641585950 /nfs/dbraw/zinc/58/59/50/641585950.db2.gz IBYJUUMRZORNSY-CIUDSAMLSA-N 2 2 240.269 0.982 20 0 BCADLP CC[NH+]1CC(NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001031267763 641868751 /nfs/dbraw/zinc/86/87/51/641868751.db2.gz UJYNCBAGAZJTPB-UHFFFAOYSA-N 2 2 248.330 0.582 20 0 BCADLP CC(C)C[NH+]1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001031476926 642198544 /nfs/dbraw/zinc/19/85/44/642198544.db2.gz MGGVUJKGJHEHLY-UHFFFAOYSA-N 2 2 236.319 0.340 20 0 BCADLP C[NH+]1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000891390823 642458980 /nfs/dbraw/zinc/45/89/80/642458980.db2.gz QDTVHYPMBFPEFI-UHFFFAOYSA-N 2 2 217.276 0.481 20 0 BCADLP Cn1nc2c(c1C[NH2+]CCn1cc[nH+]c1)CCC2 ZINC000921484651 642636217 /nfs/dbraw/zinc/63/62/17/642636217.db2.gz RXYVVVGDWVZBGM-UHFFFAOYSA-N 2 2 245.330 0.895 20 0 BCADLP CC[N@H+](CCC(=O)OC)C[C@@H]1CCC[NH2+]1 ZINC000233462248 642673153 /nfs/dbraw/zinc/67/31/53/642673153.db2.gz IVQWUTKYKBIDGW-JTQLQIEISA-N 2 2 214.309 0.623 20 0 BCADLP CC[N@@H+](CCC(=O)OC)C[C@@H]1CCC[NH2+]1 ZINC000233462248 642673177 /nfs/dbraw/zinc/67/31/77/642673177.db2.gz IVQWUTKYKBIDGW-JTQLQIEISA-N 2 2 214.309 0.623 20 0 BCADLP CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001019565841 643040593 /nfs/dbraw/zinc/04/05/93/643040593.db2.gz FDAUAFNIOQCLDL-VIFPVBQESA-N 2 2 222.292 0.163 20 0 BCADLP CC(C)[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001019869209 643043509 /nfs/dbraw/zinc/04/35/09/643043509.db2.gz UGADFIZXIPIKRZ-NSHDSACASA-N 2 2 236.319 0.482 20 0 BCADLP CCN(CC[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000070900142 643082458 /nfs/dbraw/zinc/08/24/58/643082458.db2.gz ACAZLOZDNZDGEY-GFCCVEGCSA-N 2 2 227.352 0.002 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000069626921 643448977 /nfs/dbraw/zinc/44/89/77/643448977.db2.gz ZKQQEEWLKWREHS-IVZWLZJFSA-N 2 2 212.293 0.361 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000069626921 643448982 /nfs/dbraw/zinc/44/89/82/643448982.db2.gz ZKQQEEWLKWREHS-IVZWLZJFSA-N 2 2 212.293 0.361 20 0 BCADLP CCO[C@H](C[NH2+][C@H]1CO[C@H](C)C1)C[NH+](C)C ZINC000922756927 644087048 /nfs/dbraw/zinc/08/70/48/644087048.db2.gz UZTDMPCTAGIFHA-IJLUTSLNSA-N 2 2 230.352 0.720 20 0 BCADLP C[N@H+](C[C@H](O)C(F)(F)F)CC(C)(C)C[NH3+] ZINC000086638157 644157485 /nfs/dbraw/zinc/15/74/85/644157485.db2.gz UQACEQKCCXIMBH-ZETCQYMHSA-N 2 2 228.258 0.826 20 0 BCADLP C[N@@H+](C[C@H](O)C(F)(F)F)CC(C)(C)C[NH3+] ZINC000086638157 644157490 /nfs/dbraw/zinc/15/74/90/644157490.db2.gz UQACEQKCCXIMBH-ZETCQYMHSA-N 2 2 228.258 0.826 20 0 BCADLP CSC[C@H](O)C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000923282395 644314031 /nfs/dbraw/zinc/31/40/31/644314031.db2.gz VILVTEGKYBAQPA-VHSXEESVSA-N 2 2 218.366 0.524 20 0 BCADLP CSC[C@H](O)C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000923282395 644314034 /nfs/dbraw/zinc/31/40/34/644314034.db2.gz VILVTEGKYBAQPA-VHSXEESVSA-N 2 2 218.366 0.524 20 0 BCADLP CC(C)CC[C@@H](O)C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000923277312 644309662 /nfs/dbraw/zinc/30/96/62/644309662.db2.gz DGQAIHMKNKCEDS-GHMZBOCLSA-N 2 2 200.326 0.817 20 0 BCADLP CC(C)CC[C@@H](O)C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000923277312 644309668 /nfs/dbraw/zinc/30/96/68/644309668.db2.gz DGQAIHMKNKCEDS-GHMZBOCLSA-N 2 2 200.326 0.817 20 0 BCADLP CSC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000923280124 644310920 /nfs/dbraw/zinc/31/09/20/644310920.db2.gz DKCHNBPLZMAUPE-BDAKNGLRSA-N 2 2 204.339 0.133 20 0 BCADLP CSC[C@@H](O)C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000923280124 644310922 /nfs/dbraw/zinc/31/09/22/644310922.db2.gz DKCHNBPLZMAUPE-BDAKNGLRSA-N 2 2 204.339 0.133 20 0 BCADLP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000923279715 644311140 /nfs/dbraw/zinc/31/11/40/644311140.db2.gz ATKQUYBXOAFJSJ-QWRGUYRKSA-N 2 2 216.325 0.195 20 0 BCADLP CC(C)OCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])C1 ZINC000923279715 644311145 /nfs/dbraw/zinc/31/11/45/644311145.db2.gz ATKQUYBXOAFJSJ-QWRGUYRKSA-N 2 2 216.325 0.195 20 0 BCADLP CC(C)COC[C@@H](O)C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000923280193 644312961 /nfs/dbraw/zinc/31/29/61/644312961.db2.gz HSVTZZSAUWGSQI-STQMWFEESA-N 2 2 244.379 0.833 20 0 BCADLP CC(C)COC[C@@H](O)C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000923280193 644312964 /nfs/dbraw/zinc/31/29/64/644312964.db2.gz HSVTZZSAUWGSQI-STQMWFEESA-N 2 2 244.379 0.833 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000923280976 644314241 /nfs/dbraw/zinc/31/42/41/644314241.db2.gz MOZUYBIPYFOTQP-VXGBXAGGSA-N 2 2 238.335 0.057 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000923280976 644314243 /nfs/dbraw/zinc/31/42/43/644314243.db2.gz MOZUYBIPYFOTQP-VXGBXAGGSA-N 2 2 238.335 0.057 20 0 BCADLP CSC[C@H](O)C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000923282393 644315383 /nfs/dbraw/zinc/31/53/83/644315383.db2.gz VILVTEGKYBAQPA-NXEZZACHSA-N 2 2 218.366 0.524 20 0 BCADLP CSC[C@H](O)C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000923282393 644315389 /nfs/dbraw/zinc/31/53/89/644315389.db2.gz VILVTEGKYBAQPA-NXEZZACHSA-N 2 2 218.366 0.524 20 0 BCADLP CCC[N@H+](C[C@H](O)CCOCC)[C@@H]1CC[NH2+]C1 ZINC000923288089 644320785 /nfs/dbraw/zinc/32/07/85/644320785.db2.gz XKCMGZFMEZDJIV-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP CCC[N@@H+](C[C@H](O)CCOCC)[C@@H]1CC[NH2+]C1 ZINC000923288089 644320789 /nfs/dbraw/zinc/32/07/89/644320789.db2.gz XKCMGZFMEZDJIV-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000923292595 644328443 /nfs/dbraw/zinc/32/84/43/644328443.db2.gz ZKFWJCBKEGGDSH-AAEUAGOBSA-N 2 2 222.332 0.869 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000923292595 644328449 /nfs/dbraw/zinc/32/84/49/644328449.db2.gz ZKFWJCBKEGGDSH-AAEUAGOBSA-N 2 2 222.332 0.869 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H](O)CSC ZINC000923294863 644333097 /nfs/dbraw/zinc/33/30/97/644333097.db2.gz PFJFDUTXDPYVAI-ZJUUUORDSA-N 2 2 218.366 0.394 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H](O)CSC ZINC000923294863 644333102 /nfs/dbraw/zinc/33/31/02/644333102.db2.gz PFJFDUTXDPYVAI-ZJUUUORDSA-N 2 2 218.366 0.394 20 0 BCADLP CC(=O)N[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923302823 644342408 /nfs/dbraw/zinc/34/24/08/644342408.db2.gz DZAFKNMVRLJHLJ-ZDUSSCGKSA-N 2 2 239.363 0.729 20 0 BCADLP CC(=O)N[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923302823 644342412 /nfs/dbraw/zinc/34/24/12/644342412.db2.gz DZAFKNMVRLJHLJ-ZDUSSCGKSA-N 2 2 239.363 0.729 20 0 BCADLP CN(CCC[NH2+]C1CC1)CC[NH+]1CCOCC1 ZINC000923368875 644380594 /nfs/dbraw/zinc/38/05/94/644380594.db2.gz DNCWABREMBSZOL-UHFFFAOYSA-N 2 2 241.379 0.393 20 0 BCADLP CC(C)OCC[C@H](O)C[N@H+](C)CC[NH3+] ZINC000923378404 644392545 /nfs/dbraw/zinc/39/25/45/644392545.db2.gz INODNGZABSNUSJ-JTQLQIEISA-N 2 2 204.314 0.053 20 0 BCADLP CC(C)OCC[C@H](O)C[N@@H+](C)CC[NH3+] ZINC000923378404 644392549 /nfs/dbraw/zinc/39/25/49/644392549.db2.gz INODNGZABSNUSJ-JTQLQIEISA-N 2 2 204.314 0.053 20 0 BCADLP CSC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923399369 644404975 /nfs/dbraw/zinc/40/49/75/644404975.db2.gz OVCZTZOMVDLTLM-VHSXEESVSA-N 2 2 230.377 0.585 20 0 BCADLP CC[N@H+](CC[NH3+])C[C@H](O)CCOC(C)C ZINC000923401183 644406612 /nfs/dbraw/zinc/40/66/12/644406612.db2.gz KUTWYFQVMVWSAR-LLVKDONJSA-N 2 2 218.341 0.443 20 0 BCADLP CC[N@@H+](CC[NH3+])C[C@H](O)CCOC(C)C ZINC000923401183 644406614 /nfs/dbraw/zinc/40/66/14/644406614.db2.gz KUTWYFQVMVWSAR-LLVKDONJSA-N 2 2 218.341 0.443 20 0 BCADLP CCOCC[C@@H](O)C[N@H+](CC)CC[NH3+] ZINC000923400761 644406697 /nfs/dbraw/zinc/40/66/97/644406697.db2.gz DRWDUYYPUUUVRP-SNVBAGLBSA-N 2 2 204.314 0.055 20 0 BCADLP CCOCC[C@@H](O)C[N@@H+](CC)CC[NH3+] ZINC000923400761 644406698 /nfs/dbraw/zinc/40/66/98/644406698.db2.gz DRWDUYYPUUUVRP-SNVBAGLBSA-N 2 2 204.314 0.055 20 0 BCADLP CCOCC[C@H](O)C[N@@H+]1CCCC[C@H]1C[NH2+]C ZINC000923430414 644422702 /nfs/dbraw/zinc/42/27/02/644422702.db2.gz KQLRSMDLLCTBKH-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP CCOCC[C@H](O)C[N@H+]1CCCC[C@H]1C[NH2+]C ZINC000923430414 644422706 /nfs/dbraw/zinc/42/27/06/644422706.db2.gz KQLRSMDLLCTBKH-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP CC(C)OCC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000923430554 644424554 /nfs/dbraw/zinc/42/45/54/644424554.db2.gz NBRRFGWKNPPOOX-RYUDHWBXSA-N 2 2 244.379 0.832 20 0 BCADLP CC(C)OCC[C@H](O)C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000923430554 644424556 /nfs/dbraw/zinc/42/45/56/644424556.db2.gz NBRRFGWKNPPOOX-RYUDHWBXSA-N 2 2 244.379 0.832 20 0 BCADLP CSC[C@@H](O)C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000923430939 644425238 /nfs/dbraw/zinc/42/52/38/644425238.db2.gz PMPKMXPTJUHKGO-DTWKUNHWSA-N 2 2 218.366 0.379 20 0 BCADLP CSC[C@@H](O)C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000923430939 644425240 /nfs/dbraw/zinc/42/52/40/644425240.db2.gz PMPKMXPTJUHKGO-DTWKUNHWSA-N 2 2 218.366 0.379 20 0 BCADLP CC(C)OCC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000923430552 644425520 /nfs/dbraw/zinc/42/55/20/644425520.db2.gz NBRRFGWKNPPOOX-NWDGAFQWSA-N 2 2 244.379 0.832 20 0 BCADLP CC(C)OCC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000923430552 644425522 /nfs/dbraw/zinc/42/55/22/644425522.db2.gz NBRRFGWKNPPOOX-NWDGAFQWSA-N 2 2 244.379 0.832 20 0 BCADLP CC1(C)C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1[NH3+] ZINC000923432313 644426683 /nfs/dbraw/zinc/42/66/83/644426683.db2.gz KOHRBHXBIQHBGM-MNOVXSKESA-N 3 2 239.363 0.034 20 0 BCADLP CC1(C)C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1[NH3+] ZINC000923432313 644426685 /nfs/dbraw/zinc/42/66/85/644426685.db2.gz KOHRBHXBIQHBGM-MNOVXSKESA-N 3 2 239.363 0.034 20 0 BCADLP C=C/C=C/CC[N@@H+]1CCNCC[NH2+]CC1 ZINC000923460778 644446512 /nfs/dbraw/zinc/44/65/12/644446512.db2.gz QURCDVKHNVDNDE-ONEGZZNKSA-N 2 2 209.337 0.614 20 0 BCADLP C=C/C=C/CC[N@H+]1CCNCC[NH2+]CC1 ZINC000923460778 644446513 /nfs/dbraw/zinc/44/65/13/644446513.db2.gz QURCDVKHNVDNDE-ONEGZZNKSA-N 2 2 209.337 0.614 20 0 BCADLP C=C/C=C/CCN1CC[NH2+]CC[NH2+]CC1 ZINC000923460778 644446517 /nfs/dbraw/zinc/44/65/17/644446517.db2.gz QURCDVKHNVDNDE-ONEGZZNKSA-N 2 2 209.337 0.614 20 0 BCADLP CCO[C@@H](C[N@@H+]1CCC[C@@]([NH3+])(CO)C1)C1CC1 ZINC000923475195 644453199 /nfs/dbraw/zinc/45/31/99/644453199.db2.gz OJVZODFKUYOPJF-STQMWFEESA-N 2 2 242.363 0.587 20 0 BCADLP CCO[C@@H](C[N@H+]1CCC[C@@]([NH3+])(CO)C1)C1CC1 ZINC000923475195 644453213 /nfs/dbraw/zinc/45/32/13/644453213.db2.gz OJVZODFKUYOPJF-STQMWFEESA-N 2 2 242.363 0.587 20 0 BCADLP CO[C@@H](C[N@@H+]1CCC[C@@]([NH3+])(CO)C1)C1CCC1 ZINC000923475585 644454032 /nfs/dbraw/zinc/45/40/32/644454032.db2.gz YJAWUWVYUUPVBP-STQMWFEESA-N 2 2 242.363 0.587 20 0 BCADLP CO[C@@H](C[N@H+]1CCC[C@@]([NH3+])(CO)C1)C1CCC1 ZINC000923475585 644454037 /nfs/dbraw/zinc/45/40/37/644454037.db2.gz YJAWUWVYUUPVBP-STQMWFEESA-N 2 2 242.363 0.587 20 0 BCADLP Nc1cccc(C[N@@H+]2CCC[C@]([NH3+])(CO)C2)c1 ZINC000923473131 644455550 /nfs/dbraw/zinc/45/55/50/644455550.db2.gz QFWNHDHMJRUAMV-CYBMUJFWSA-N 2 2 235.331 0.554 20 0 BCADLP Nc1cccc(C[N@H+]2CCC[C@]([NH3+])(CO)C2)c1 ZINC000923473131 644455551 /nfs/dbraw/zinc/45/55/51/644455551.db2.gz QFWNHDHMJRUAMV-CYBMUJFWSA-N 2 2 235.331 0.554 20 0 BCADLP CC1(C)CO[C@H](C[N@@H+]2CCC[C@]([NH3+])(CO)C2)C1 ZINC000923472910 644456313 /nfs/dbraw/zinc/45/63/13/644456313.db2.gz JZGNTAVFBFWGKU-WCQYABFASA-N 2 2 242.363 0.587 20 0 BCADLP CC1(C)CO[C@H](C[N@H+]2CCC[C@]([NH3+])(CO)C2)C1 ZINC000923472910 644456318 /nfs/dbraw/zinc/45/63/18/644456318.db2.gz JZGNTAVFBFWGKU-WCQYABFASA-N 2 2 242.363 0.587 20 0 BCADLP C[C@H]1C[N@H+](CCc2c[nH+]cn2C)CC[C@@H]1C[NH3+] ZINC000923491538 644468024 /nfs/dbraw/zinc/46/80/24/644468024.db2.gz SQUZYMMGRMRLDD-NWDGAFQWSA-N 3 2 236.363 0.879 20 0 BCADLP C[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CC[C@@H]1C[NH3+] ZINC000923491538 644468028 /nfs/dbraw/zinc/46/80/28/644468028.db2.gz SQUZYMMGRMRLDD-NWDGAFQWSA-N 3 2 236.363 0.879 20 0 BCADLP CCn1cnc2c1CC[N@H+](CCOCC[NH3+])C2 ZINC000923557305 644501455 /nfs/dbraw/zinc/50/14/55/644501455.db2.gz LGKZQXXNMGQIKR-UHFFFAOYSA-N 2 2 238.335 0.236 20 0 BCADLP CCn1cnc2c1CC[N@@H+](CCOCC[NH3+])C2 ZINC000923557305 644501470 /nfs/dbraw/zinc/50/14/70/644501470.db2.gz LGKZQXXNMGQIKR-UHFFFAOYSA-N 2 2 238.335 0.236 20 0 BCADLP CCn1c[nH+]c2c1CCN(CCOCC[NH3+])C2 ZINC000923557305 644501479 /nfs/dbraw/zinc/50/14/79/644501479.db2.gz LGKZQXXNMGQIKR-UHFFFAOYSA-N 2 2 238.335 0.236 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000089741629 644564405 /nfs/dbraw/zinc/56/44/05/644564405.db2.gz XMXKBAGBNCMSBC-QWRGUYRKSA-N 2 2 236.319 0.387 20 0 BCADLP CC[N@H+](CCn1cc[nH+]c1C)CC(=O)NC ZINC000766239800 644665145 /nfs/dbraw/zinc/66/51/45/644665145.db2.gz OGMONFHMVIBNAL-UHFFFAOYSA-N 2 2 224.308 0.259 20 0 BCADLP CC[N@@H+](CCn1cc[nH+]c1C)CC(=O)NC ZINC000766239800 644665148 /nfs/dbraw/zinc/66/51/48/644665148.db2.gz OGMONFHMVIBNAL-UHFFFAOYSA-N 2 2 224.308 0.259 20 0 BCADLP Cn1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000252556261 644864545 /nfs/dbraw/zinc/86/45/45/644864545.db2.gz STDVDGJRLWAZEO-UONOGXRCSA-N 2 2 249.358 0.978 20 0 BCADLP Cn1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000252556261 644864547 /nfs/dbraw/zinc/86/45/47/644864547.db2.gz STDVDGJRLWAZEO-UONOGXRCSA-N 2 2 249.358 0.978 20 0 BCADLP [NH3+][C@H](CC1CC1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000304342575 644894108 /nfs/dbraw/zinc/89/41/08/644894108.db2.gz JDMNTUQRIACUBZ-SECBINFHSA-N 2 2 222.292 0.196 20 0 BCADLP C[C@H]1C[NH+]=C(NCCCCn2cc[nH+]c2)N1 ZINC000304538535 644914979 /nfs/dbraw/zinc/91/49/79/644914979.db2.gz KDMRESWVWZYYJX-JTQLQIEISA-N 2 2 221.308 0.601 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253197382 644943864 /nfs/dbraw/zinc/94/38/64/644943864.db2.gz AGXJFKTVJGIHBH-NWDGAFQWSA-N 2 2 241.379 0.675 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253197382 644943865 /nfs/dbraw/zinc/94/38/65/644943865.db2.gz AGXJFKTVJGIHBH-NWDGAFQWSA-N 2 2 241.379 0.675 20 0 BCADLP [NH3+]CCCCCCC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000843369233 645284629 /nfs/dbraw/zinc/28/46/29/645284629.db2.gz HGLXPCBCLQGZGD-LBPRGKRZSA-N 3 2 229.368 0.555 20 0 BCADLP [NH3+]CCCCCCC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000843369233 645284633 /nfs/dbraw/zinc/28/46/33/645284633.db2.gz HGLXPCBCLQGZGD-LBPRGKRZSA-N 3 2 229.368 0.555 20 0 BCADLP C1C[C@@H]2O[C@H]1C[C@H]2[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926647653 645333919 /nfs/dbraw/zinc/33/39/19/645333919.db2.gz UYQKCIOVFZATQN-CLPYTZEMSA-N 2 2 222.332 0.990 20 0 BCADLP C1C[C@@H]2O[C@H]1C[C@H]2[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926647653 645333927 /nfs/dbraw/zinc/33/39/27/645333927.db2.gz UYQKCIOVFZATQN-CLPYTZEMSA-N 2 2 222.332 0.990 20 0 BCADLP CCCCOCCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925488859 645523220 /nfs/dbraw/zinc/52/32/20/645523220.db2.gz MRRKNYYEDQSBJF-LBPRGKRZSA-N 2 2 230.352 0.771 20 0 BCADLP C[C@@H](CCO)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927105546 645550057 /nfs/dbraw/zinc/55/00/57/645550057.db2.gz SIDMGJPLIPHCHY-WCQYABFASA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H](CCO)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927105546 645550060 /nfs/dbraw/zinc/55/00/60/645550060.db2.gz SIDMGJPLIPHCHY-WCQYABFASA-N 2 2 242.363 0.600 20 0 BCADLP Cn1cc(CC[NH2+]C(C)(C)C[NH+](C)C)nn1 ZINC000859330585 645681670 /nfs/dbraw/zinc/68/16/70/645681670.db2.gz YPMFIOIVGVJNRQ-UHFFFAOYSA-N 2 2 225.340 0.287 20 0 BCADLP C[C@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1C ZINC000928445767 645773033 /nfs/dbraw/zinc/77/30/33/645773033.db2.gz FFONAKCXGNJJKN-QWRGUYRKSA-N 2 2 236.319 0.482 20 0 BCADLP C[C@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1C ZINC000928445767 645773040 /nfs/dbraw/zinc/77/30/40/645773040.db2.gz FFONAKCXGNJJKN-QWRGUYRKSA-N 2 2 236.319 0.482 20 0 BCADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[NH3+])c[nH+]1 ZINC000884251877 645872344 /nfs/dbraw/zinc/87/23/44/645872344.db2.gz UXGQGCIVTBDZMK-MRVPVSSYSA-N 2 2 224.308 0.390 20 0 BCADLP CC[C@H](C)[C@H](C(=O)OC)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000929312878 646072835 /nfs/dbraw/zinc/07/28/35/646072835.db2.gz NVHFYTCNQAJVMQ-IRCOFANPSA-N 2 2 240.347 0.725 20 0 BCADLP C[C@H](CO)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924752900 646100646 /nfs/dbraw/zinc/10/06/46/646100646.db2.gz IEXAJZRIPZNLJM-GRYCIOLGSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@H](CO)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924752900 646100651 /nfs/dbraw/zinc/10/06/51/646100651.db2.gz IEXAJZRIPZNLJM-GRYCIOLGSA-N 2 2 212.337 0.974 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cnn(C)n1 ZINC000924871144 646122373 /nfs/dbraw/zinc/12/23/73/646122373.db2.gz DAMCTMCJZRVJQN-VIFPVBQESA-N 2 2 234.307 0.671 20 0 BCADLP C[C@@H](C[NH2+][C@@H](C)C(C)(C)CO)[NH+](C)C ZINC000924953719 646139035 /nfs/dbraw/zinc/13/90/35/646139035.db2.gz BFNCXJQBYOTVGH-UWVGGRQHSA-N 2 2 202.342 0.933 20 0 BCADLP C([NH2+][C@@H]1C[NH2+]CCOC1)C1CCSCC1 ZINC000925485158 646296337 /nfs/dbraw/zinc/29/63/37/646296337.db2.gz BNGLNOJIOGLJBM-LLVKDONJSA-N 2 2 230.377 0.708 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC000925499505 646304173 /nfs/dbraw/zinc/30/41/73/646304173.db2.gz ZPVCCKDQOSZVHP-NEPJUHHUSA-N 2 2 242.363 0.912 20 0 BCADLP Cn1cc([C@@H](O)C[NH2+][C@@H]2CC[NH2+]C2(C)C)cn1 ZINC000925517324 646313349 /nfs/dbraw/zinc/31/33/49/646313349.db2.gz NNGLRQNJNVZISP-WDEREUQCSA-N 2 2 238.335 0.184 20 0 BCADLP CS[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925524814 646314437 /nfs/dbraw/zinc/31/44/37/646314437.db2.gz ZWVWSLYBKUCBDY-HBNTYKKESA-N 2 2 230.377 0.849 20 0 BCADLP CCC1(C[NH2+][C@H]2C[NH2+]CCOC2)CCOCC1 ZINC000925526670 646317688 /nfs/dbraw/zinc/31/76/88/646317688.db2.gz JQDNWASNWRLTJJ-LBPRGKRZSA-N 2 2 242.363 0.771 20 0 BCADLP OCCC1(C[NH2+][C@@H]2C[NH2+]CCOC2)CCCC1 ZINC000925527234 646318202 /nfs/dbraw/zinc/31/82/02/646318202.db2.gz MZAFDDHFYMYGKV-GFCCVEGCSA-N 2 2 242.363 0.507 20 0 BCADLP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925554034 646331240 /nfs/dbraw/zinc/33/12/40/646331240.db2.gz UUFRJZZTSOVYAN-WOPDTQHZSA-N 2 2 228.336 0.380 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCOC[C@H]1CCOC1 ZINC000925566957 646337495 /nfs/dbraw/zinc/33/74/95/646337495.db2.gz MRABNFCORAJXKU-AVGNSLFASA-N 2 2 242.363 0.770 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000925575366 646342178 /nfs/dbraw/zinc/34/21/78/646342178.db2.gz GDHNGXZPCWQFFB-JBLDHEPKSA-N 2 2 237.347 0.480 20 0 BCADLP COC[C@H](CCO)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925612181 646360456 /nfs/dbraw/zinc/36/04/56/646360456.db2.gz RJPIPECMKOQROV-RYUDHWBXSA-N 2 2 242.363 0.648 20 0 BCADLP C[C@@H]1C[C@H](C[NH2+][C@H]2C[NH2+]CCOC2)CCO1 ZINC000925613488 646363784 /nfs/dbraw/zinc/36/37/84/646363784.db2.gz DNVSYNCQNRVYHF-UTUOFQBUSA-N 2 2 228.336 0.380 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000925616084 646366022 /nfs/dbraw/zinc/36/60/22/646366022.db2.gz QJCXQJDMDPTWOG-ZMLRMANQSA-N 2 2 234.347 0.997 20 0 BCADLP C[C@H]([NH2+][C@H]1C[NH2+]CCOC1)[C@H]1CCCOC1 ZINC000925630447 646376495 /nfs/dbraw/zinc/37/64/95/646376495.db2.gz BQMPFIIQAFUZNU-SRVKXCTJSA-N 2 2 228.336 0.380 20 0 BCADLP COC[C@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)OC ZINC000925633413 646378946 /nfs/dbraw/zinc/37/89/46/646378946.db2.gz VZGIJTGJCIPNAY-UWVGGRQHSA-N 2 2 216.325 0.378 20 0 BCADLP OCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925644772 646384304 /nfs/dbraw/zinc/38/43/04/646384304.db2.gz NQGGQSJZGHQXLW-SRVKXCTJSA-N 2 2 228.336 0.116 20 0 BCADLP C[NH+](C)CCOCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925649996 646390566 /nfs/dbraw/zinc/39/05/66/646390566.db2.gz QOJYVIRMYYDYSM-LLVKDONJSA-N 3 2 229.368 0.295 20 0 BCADLP COC[C@@H](O)C[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925668777 646400165 /nfs/dbraw/zinc/40/01/65/646400165.db2.gz ZWHBTHIWHYZRLQ-KGYLQXTDSA-N 2 2 238.331 0.672 20 0 BCADLP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C12CCC2 ZINC000925690701 646416874 /nfs/dbraw/zinc/41/68/74/646416874.db2.gz GUCQEHMAMKGBML-UTUOFQBUSA-N 3 2 223.364 0.846 20 0 BCADLP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CCOC2)[C@H](C)O1 ZINC000925696580 646421406 /nfs/dbraw/zinc/42/14/06/646421406.db2.gz KWIYCWAVVLADBK-WRWGMCAJSA-N 2 2 228.336 0.378 20 0 BCADLP C(C[C@@H]1CCCOC1)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925720382 646443871 /nfs/dbraw/zinc/44/38/71/646443871.db2.gz HAGNLRHKVYCBBL-NWDGAFQWSA-N 2 2 228.336 0.381 20 0 BCADLP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925726651 646451981 /nfs/dbraw/zinc/45/19/81/646451981.db2.gz VMLNLWXUHZEHPS-IJLUTSLNSA-N 3 2 227.352 0.082 20 0 BCADLP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925772265 646469483 /nfs/dbraw/zinc/46/94/83/646469483.db2.gz HMTPDJJHRFVLEN-NJMOYASZSA-N 2 2 224.348 0.857 20 0 BCADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CCOC1)[C@H]1CCCOC1 ZINC000925768927 646471322 /nfs/dbraw/zinc/47/13/22/646471322.db2.gz MMNJQZHPURXDLA-XQQFMLRXSA-N 2 2 242.363 0.770 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000925771810 646473749 /nfs/dbraw/zinc/47/37/49/646473749.db2.gz OPQUFSXKDVWLLU-DBIOUOCHSA-N 2 2 246.376 0.150 20 0 BCADLP C[C@@H]([NH2+]CCN1CCNC1=O)[C@H]1CCCC[NH2+]1 ZINC000925777930 646475226 /nfs/dbraw/zinc/47/52/26/646475226.db2.gz RKGFQCUICZWBKP-GHMZBOCLSA-N 2 2 240.351 0.132 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ncc[nH]1 ZINC000925785188 646481492 /nfs/dbraw/zinc/48/14/92/646481492.db2.gz JXILFDLVHSDRRE-UTLUCORTSA-N 2 2 208.309 0.916 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(=O)[nH]n1 ZINC000925784690 646481515 /nfs/dbraw/zinc/48/15/15/646481515.db2.gz KBYRMFWYNBGZKB-BBBLOLIVSA-N 2 2 236.319 0.688 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccn(C)n1 ZINC000925786353 646482818 /nfs/dbraw/zinc/48/28/18/646482818.db2.gz OAGMOMQJHIMIDX-VWYCJHECSA-N 2 2 222.336 0.926 20 0 BCADLP CCO[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])C[NH+](C)C ZINC000925838119 646504031 /nfs/dbraw/zinc/50/40/31/646504031.db2.gz JXJNTXNGEDBMQT-SDDRHHMPSA-N 3 2 231.384 0.669 20 0 BCADLP CCO[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)C[NH+](C)C ZINC000925836228 646504909 /nfs/dbraw/zinc/50/49/09/646504909.db2.gz JCJGWZHDTDMCHM-FRRDWIJNSA-N 3 2 243.395 0.813 20 0 BCADLP CCO[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])C[NH+](C)C ZINC000925838118 646505070 /nfs/dbraw/zinc/50/50/70/646505070.db2.gz JXJNTXNGEDBMQT-QJPTWQEYSA-N 3 2 231.384 0.669 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000925875773 646525827 /nfs/dbraw/zinc/52/58/27/646525827.db2.gz WFEDSRDGCRWWIZ-GHMZBOCLSA-N 2 2 228.336 0.522 20 0 BCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879682 646528951 /nfs/dbraw/zinc/52/89/51/646528951.db2.gz IFIVICRNVDPTKJ-QNWHQSFQSA-N 3 2 241.379 0.470 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H](O)c1ccnn1C ZINC000925891147 646533749 /nfs/dbraw/zinc/53/37/49/646533749.db2.gz SRCKJZFYRISOMR-SCVCMEIPSA-N 2 2 238.335 0.041 20 0 BCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccns1 ZINC000926174887 646589155 /nfs/dbraw/zinc/58/91/55/646589155.db2.gz STUMFTDFZVWMTN-ONGXEEELSA-N 2 2 241.360 0.860 20 0 BCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccns1 ZINC000926174887 646589159 /nfs/dbraw/zinc/58/91/59/646589159.db2.gz STUMFTDFZVWMTN-ONGXEEELSA-N 2 2 241.360 0.860 20 0 BCADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cnn(C)n1 ZINC000926449794 646642344 /nfs/dbraw/zinc/64/23/44/646642344.db2.gz IDOOLSHFUFWLRV-IUCAKERBSA-N 2 2 246.318 0.746 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C[C@H]1[NH3+] ZINC000724560911 711590771 /nfs/dbraw/zinc/59/07/71/711590771.db2.gz XREIHTGETVBIFM-ZIQFBCGOSA-N 2 2 226.320 0.069 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C[C@H]1[NH3+] ZINC000724560911 711590776 /nfs/dbraw/zinc/59/07/76/711590776.db2.gz XREIHTGETVBIFM-ZIQFBCGOSA-N 2 2 226.320 0.069 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724643320 711603575 /nfs/dbraw/zinc/60/35/75/711603575.db2.gz NZONDGCGNUWXGM-WHOHXGKFSA-N 2 2 226.320 0.213 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724643320 711603578 /nfs/dbraw/zinc/60/35/78/711603578.db2.gz NZONDGCGNUWXGM-WHOHXGKFSA-N 2 2 226.320 0.213 20 0 BCADLP CC(C)C(=O)NCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396612597 711702668 /nfs/dbraw/zinc/70/26/68/711702668.db2.gz KMVVELFWYGOMKT-MNOVXSKESA-N 2 2 227.352 0.489 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925787920 711751819 /nfs/dbraw/zinc/75/18/19/711751819.db2.gz WXJVFQKPNKJKTD-RHYQMDGZSA-N 3 2 223.364 0.701 20 0 BCADLP C[C@@H](CS(C)(=O)=O)[NH2+]CCC[NH+]1CCCC1 ZINC000081899034 711903326 /nfs/dbraw/zinc/90/33/26/711903326.db2.gz UXOQQWNGGWQCOW-NSHDSACASA-N 2 2 248.392 0.495 20 0 BCADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CNOC2)CC1 ZINC000703323707 712069904 /nfs/dbraw/zinc/06/99/04/712069904.db2.gz MPUUGOPUNCMIGT-NSHDSACASA-N 2 2 227.352 0.742 20 0 BCADLP COC(C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)OC ZINC000706204403 712140630 /nfs/dbraw/zinc/14/06/30/712140630.db2.gz SCDUFPKEGPBSQL-BETUJISGSA-N 2 2 242.363 0.879 20 0 BCADLP COC(C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)OC ZINC000706204403 712140633 /nfs/dbraw/zinc/14/06/33/712140633.db2.gz SCDUFPKEGPBSQL-BETUJISGSA-N 2 2 242.363 0.879 20 0 BCADLP COC(C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1)OC ZINC000706204403 712140635 /nfs/dbraw/zinc/14/06/35/712140635.db2.gz SCDUFPKEGPBSQL-BETUJISGSA-N 2 2 242.363 0.879 20 0 BCADLP COC(C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1)OC ZINC000706204403 712140636 /nfs/dbraw/zinc/14/06/36/712140636.db2.gz SCDUFPKEGPBSQL-BETUJISGSA-N 2 2 242.363 0.879 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]1C ZINC000706762868 712154328 /nfs/dbraw/zinc/15/43/28/712154328.db2.gz PPQAJDYYXIMFND-MNOVXSKESA-N 2 2 200.326 0.782 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]1C ZINC000706762868 712154330 /nfs/dbraw/zinc/15/43/30/712154330.db2.gz PPQAJDYYXIMFND-MNOVXSKESA-N 2 2 200.326 0.782 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]1C ZINC000706762868 712154332 /nfs/dbraw/zinc/15/43/32/712154332.db2.gz PPQAJDYYXIMFND-MNOVXSKESA-N 2 2 200.326 0.782 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]1C ZINC000706762868 712154335 /nfs/dbraw/zinc/15/43/35/712154335.db2.gz PPQAJDYYXIMFND-MNOVXSKESA-N 2 2 200.326 0.782 20 0 BCADLP Cn1nnnc1C[N@H+](C)CCCCCC[NH3+] ZINC000707450549 712171080 /nfs/dbraw/zinc/17/10/80/712171080.db2.gz FHZCZEZBVJIQNU-UHFFFAOYSA-N 2 2 226.328 0.161 20 0 BCADLP Cn1nnnc1C[N@@H+](C)CCCCCC[NH3+] ZINC000707450549 712171083 /nfs/dbraw/zinc/17/10/83/712171083.db2.gz FHZCZEZBVJIQNU-UHFFFAOYSA-N 2 2 226.328 0.161 20 0 BCADLP FC[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000711445334 712300501 /nfs/dbraw/zinc/30/05/01/712300501.db2.gz TVASFMCIECXDQZ-MNOVXSKESA-N 2 2 216.300 0.656 20 0 BCADLP FC[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000711445334 712300502 /nfs/dbraw/zinc/30/05/02/712300502.db2.gz TVASFMCIECXDQZ-MNOVXSKESA-N 2 2 216.300 0.656 20 0 BCADLP C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)[C@H]1CCC[NH2+]1 ZINC000714249039 712480872 /nfs/dbraw/zinc/48/08/72/712480872.db2.gz UAOCKBKPJXDZKA-GWOFURMSSA-N 2 2 246.376 0.292 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000714246490 712480188 /nfs/dbraw/zinc/48/01/88/712480188.db2.gz REWVOLZZGPULDV-DBIOUOCHSA-N 2 2 246.376 0.292 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1COCCO1 ZINC000925487089 712611076 /nfs/dbraw/zinc/61/10/76/712611076.db2.gz VNWPIOVMNVNZMI-VHSXEESVSA-N 2 2 214.309 0.132 20 0 BCADLP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717432594 712657984 /nfs/dbraw/zinc/65/79/84/712657984.db2.gz UKKBESBMEFIVTG-GRYCIOLGSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717432594 712657985 /nfs/dbraw/zinc/65/79/85/712657985.db2.gz UKKBESBMEFIVTG-GRYCIOLGSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000717432594 712657987 /nfs/dbraw/zinc/65/79/87/712657987.db2.gz UKKBESBMEFIVTG-GRYCIOLGSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000717432594 712657988 /nfs/dbraw/zinc/65/79/88/712657988.db2.gz UKKBESBMEFIVTG-GRYCIOLGSA-N 2 2 228.336 0.162 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000380106645 712687359 /nfs/dbraw/zinc/68/73/59/712687359.db2.gz YQSDJEXAJJTTKV-NWDGAFQWSA-N 2 2 239.363 0.300 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000380106645 712687361 /nfs/dbraw/zinc/68/73/61/712687361.db2.gz YQSDJEXAJJTTKV-NWDGAFQWSA-N 2 2 239.363 0.300 20 0 BCADLP Cn1c[nH+]cc1CC[NH2+]Cc1ccon1 ZINC000720422418 712841691 /nfs/dbraw/zinc/84/16/91/712841691.db2.gz XTCROSVKFVTYQC-UHFFFAOYSA-N 2 2 206.249 0.740 20 0 BCADLP C[C@@H]1CSCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000380462267 712900868 /nfs/dbraw/zinc/90/08/68/712900868.db2.gz KRTJWVDHBUYIOA-NEPJUHHUSA-N 2 2 244.404 0.880 20 0 BCADLP C[C@@H]1CSCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000380462267 712900869 /nfs/dbraw/zinc/90/08/69/712900869.db2.gz KRTJWVDHBUYIOA-NEPJUHHUSA-N 2 2 244.404 0.880 20 0 BCADLP NC(=O)C1([NH2+]CCn2cc[nH+]c2)CCCC1 ZINC000381822132 710723217 /nfs/dbraw/zinc/72/32/17/710723217.db2.gz LAXDSSRIRDGNHK-UHFFFAOYSA-N 2 2 222.292 0.271 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+]1CCO[C@@H]1CCOC1 ZINC000724913726 710746240 /nfs/dbraw/zinc/74/62/40/710746240.db2.gz IAXLSQDCNFRKAA-GHMZBOCLSA-N 2 2 214.309 0.215 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+]1CCO[C@@H]1CCOC1 ZINC000724913726 710746242 /nfs/dbraw/zinc/74/62/42/710746242.db2.gz IAXLSQDCNFRKAA-GHMZBOCLSA-N 2 2 214.309 0.215 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCO[C@H]1CCOC1 ZINC000724926759 710749511 /nfs/dbraw/zinc/74/95/11/710749511.db2.gz UKZSGJVZPRPJEI-AVGNSLFASA-N 2 2 242.363 0.994 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCO[C@H]1CCOC1 ZINC000724926759 710749516 /nfs/dbraw/zinc/74/95/16/710749516.db2.gz UKZSGJVZPRPJEI-AVGNSLFASA-N 2 2 242.363 0.994 20 0 BCADLP CC[NH+]1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001043876261 710815581 /nfs/dbraw/zinc/81/55/81/710815581.db2.gz PAQIVHGLUDGUHA-NSHDSACASA-N 2 2 239.363 0.491 20 0 BCADLP CC[NH+]1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001043876261 710815584 /nfs/dbraw/zinc/81/55/84/710815584.db2.gz PAQIVHGLUDGUHA-NSHDSACASA-N 2 2 239.363 0.491 20 0 BCADLP CC[N@H+](CCC[NH2+]C1CC1)CC(=O)NC ZINC000382496461 710972018 /nfs/dbraw/zinc/97/20/18/710972018.db2.gz KJYDMWZFYPBXDK-UHFFFAOYSA-N 2 2 213.325 0.196 20 0 BCADLP CC[N@@H+](CCC[NH2+]C1CC1)CC(=O)NC ZINC000382496461 710972022 /nfs/dbraw/zinc/97/20/22/710972022.db2.gz KJYDMWZFYPBXDK-UHFFFAOYSA-N 2 2 213.325 0.196 20 0 BCADLP CN1CCC[NH+]=C1NCCCn1cc[nH+]c1 ZINC000386102963 711022123 /nfs/dbraw/zinc/02/21/23/711022123.db2.gz KDAPOUPGYAFTFO-UHFFFAOYSA-N 2 2 221.308 0.554 20 0 BCADLP Cn1cnc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000390144818 711105534 /nfs/dbraw/zinc/10/55/34/711105534.db2.gz QNVUUVANAGXJND-UHFFFAOYSA-N 2 2 219.292 0.797 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1COC(C)(C)C1)C1CC1 ZINC000396549971 711354166 /nfs/dbraw/zinc/35/41/66/711354166.db2.gz VVUUYVRKRXTYBR-JQWIXIFHSA-N 2 2 242.363 0.599 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1COC(C)(C)C1)C1CC1 ZINC000396549971 711354174 /nfs/dbraw/zinc/35/41/74/711354174.db2.gz VVUUYVRKRXTYBR-JQWIXIFHSA-N 2 2 242.363 0.599 20 0 BCADLP CC(C)C(=O)NCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396612602 711355685 /nfs/dbraw/zinc/35/56/85/711355685.db2.gz KMVVELFWYGOMKT-WDEREUQCSA-N 2 2 227.352 0.489 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCOCC(F)F ZINC000396608789 711359303 /nfs/dbraw/zinc/35/93/03/711359303.db2.gz DFTFNGGPPXZOBP-DTWKUNHWSA-N 2 2 222.279 0.998 20 0 BCADLP CC1(C)[C@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1[NH3+] ZINC000397970419 711398590 /nfs/dbraw/zinc/39/85/90/711398590.db2.gz MLQXWFKDDHSSIH-VHSXEESVSA-N 2 2 236.319 0.515 20 0 BCADLP CC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073016357 711429947 /nfs/dbraw/zinc/42/99/47/711429947.db2.gz VEMAAHJUARUDAJ-UHFFFAOYSA-N 2 2 248.330 0.506 20 0 BCADLP CC[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073016357 711429954 /nfs/dbraw/zinc/42/99/54/711429954.db2.gz VEMAAHJUARUDAJ-UHFFFAOYSA-N 2 2 248.330 0.506 20 0 BCADLP CCOCC[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000380977982 710595318 /nfs/dbraw/zinc/59/53/18/710595318.db2.gz HNIAGKQCVGVYLH-LBPRGKRZSA-N 2 2 230.352 0.411 20 0 BCADLP CCOCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000380977982 710595323 /nfs/dbraw/zinc/59/53/23/710595323.db2.gz HNIAGKQCVGVYLH-LBPRGKRZSA-N 2 2 230.352 0.411 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccnn1C ZINC000381045301 710598267 /nfs/dbraw/zinc/59/82/67/710598267.db2.gz DCCZENCBTNQDBH-ZYHUDNBSSA-N 2 2 222.336 0.502 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccnn1C ZINC000381045301 710598274 /nfs/dbraw/zinc/59/82/74/710598274.db2.gz DCCZENCBTNQDBH-ZYHUDNBSSA-N 2 2 222.336 0.502 20 0 BCADLP Cc1n[nH]c(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)n1 ZINC000392449219 711146307 /nfs/dbraw/zinc/14/63/07/711146307.db2.gz IWNQSYNGKZDGJV-STXZSOOUSA-N 2 2 247.346 0.242 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1cn(C)cn1 ZINC000396708046 711366182 /nfs/dbraw/zinc/36/61/82/711366182.db2.gz KQEHZNLEKYPILJ-CMPLNLGQSA-N 2 2 222.336 0.693 20 0 BCADLP CON(C)C(=O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000397523126 711385258 /nfs/dbraw/zinc/38/52/58/711385258.db2.gz FVMNXMLHDOUXQB-GHMZBOCLSA-N 2 2 241.335 0.223 20 0 BCADLP CON(C)C(=O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000397523126 711385262 /nfs/dbraw/zinc/38/52/62/711385262.db2.gz FVMNXMLHDOUXQB-GHMZBOCLSA-N 2 2 241.335 0.223 20 0 BCADLP Cc1cn(C)nc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000723961071 711547596 /nfs/dbraw/zinc/54/75/96/711547596.db2.gz ATRXTUCPPIMNLP-KOLCDFICSA-N 2 2 222.336 0.898 20 0 BCADLP Cc1cn(C)nc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000723961071 711547597 /nfs/dbraw/zinc/54/75/97/711547597.db2.gz ATRXTUCPPIMNLP-KOLCDFICSA-N 2 2 222.336 0.898 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724564698 711592772 /nfs/dbraw/zinc/59/27/72/711592772.db2.gz WDYLUNHFGFJDGT-CYDGBPFRSA-N 2 2 240.347 0.604 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724564698 711592775 /nfs/dbraw/zinc/59/27/75/711592775.db2.gz WDYLUNHFGFJDGT-CYDGBPFRSA-N 2 2 240.347 0.604 20 0 BCADLP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001022775124 711593123 /nfs/dbraw/zinc/59/31/23/711593123.db2.gz JDFKBLMECWHQPS-AOOOYVTPSA-N 2 2 236.319 0.597 20 0 BCADLP Cc1[nH]c(CN2CC[NH+](C)CC2)c(C)[nH+]1 ZINC000724774814 711611119 /nfs/dbraw/zinc/61/11/19/711611119.db2.gz QGHCTIPGCDSANE-UHFFFAOYSA-N 2 2 208.309 0.774 20 0 BCADLP C[N@H+](CCO[C@@H]1CCOC1)C1(C[NH3+])CCC1 ZINC000724935032 711631263 /nfs/dbraw/zinc/63/12/63/711631263.db2.gz FZDQALNKEUHFMS-LLVKDONJSA-N 2 2 228.336 0.605 20 0 BCADLP C[N@@H+](CCO[C@@H]1CCOC1)C1(C[NH3+])CCC1 ZINC000724935032 711631266 /nfs/dbraw/zinc/63/12/66/711631266.db2.gz FZDQALNKEUHFMS-LLVKDONJSA-N 2 2 228.336 0.605 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCn1ccnc1 ZINC000396716365 711703341 /nfs/dbraw/zinc/70/33/41/711703341.db2.gz RHGZHYFMKIISSG-QWRGUYRKSA-N 2 2 208.309 0.613 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](C/C=C\Cl)CCCO1 ZINC000313404566 711724093 /nfs/dbraw/zinc/72/40/93/711724093.db2.gz WRZDTRFDJMCPPK-MAYCQVCUSA-N 2 2 204.701 0.789 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](C/C=C\Cl)CCCO1 ZINC000313404566 711724094 /nfs/dbraw/zinc/72/40/94/711724094.db2.gz WRZDTRFDJMCPPK-MAYCQVCUSA-N 2 2 204.701 0.789 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000925875593 711761531 /nfs/dbraw/zinc/76/15/31/711761531.db2.gz VCPSDINWZZFJAJ-TUAOUCFPSA-N 2 2 228.336 0.522 20 0 BCADLP Cn1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000383641859 711874115 /nfs/dbraw/zinc/87/41/15/711874115.db2.gz BPKHTFYYIIAOLI-MVWJERBFSA-N 2 2 235.335 0.374 20 0 BCADLP Cn1ncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000383641859 711874116 /nfs/dbraw/zinc/87/41/16/711874116.db2.gz BPKHTFYYIIAOLI-MVWJERBFSA-N 2 2 235.335 0.374 20 0 BCADLP C[C@H](CS(C)(=O)=O)[NH2+]CCC[NH+]1CCCC1 ZINC000081899035 711903390 /nfs/dbraw/zinc/90/33/90/711903390.db2.gz UXOQQWNGGWQCOW-LLVKDONJSA-N 2 2 248.392 0.495 20 0 BCADLP CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032651051 711931763 /nfs/dbraw/zinc/93/17/63/711931763.db2.gz GWUAPGXENHRPDN-RYUDHWBXSA-N 2 2 248.330 0.647 20 0 BCADLP CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032651051 711931764 /nfs/dbraw/zinc/93/17/64/711931764.db2.gz GWUAPGXENHRPDN-RYUDHWBXSA-N 2 2 248.330 0.647 20 0 BCADLP CC(C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032814543 711944185 /nfs/dbraw/zinc/94/41/85/711944185.db2.gz BHRJTDBVJSDZJP-RYUDHWBXSA-N 2 2 248.330 0.577 20 0 BCADLP CC(C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032814543 711944189 /nfs/dbraw/zinc/94/41/89/711944189.db2.gz BHRJTDBVJSDZJP-RYUDHWBXSA-N 2 2 248.330 0.577 20 0 BCADLP CC(=O)N1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000700404829 711992523 /nfs/dbraw/zinc/99/25/23/711992523.db2.gz WBWGDRAXAMPLIK-CYBMUJFWSA-N 2 2 239.363 0.540 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000700572869 711997304 /nfs/dbraw/zinc/99/73/04/711997304.db2.gz NOTSVOFLJCWOJZ-GRYCIOLGSA-N 2 2 230.327 0.902 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCO[C@H](CCF)C1 ZINC000700572869 711997307 /nfs/dbraw/zinc/99/73/07/711997307.db2.gz NOTSVOFLJCWOJZ-GRYCIOLGSA-N 2 2 230.327 0.902 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCO[C@@H]1CC1(F)F)C2 ZINC000702053983 712037656 /nfs/dbraw/zinc/03/76/56/712037656.db2.gz QWFIYSBYISZJFL-HBNTYKKESA-N 2 2 246.301 0.952 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCO[C@@H]1CC1(F)F)C2 ZINC000702053983 712037657 /nfs/dbraw/zinc/03/76/57/712037657.db2.gz QWFIYSBYISZJFL-HBNTYKKESA-N 2 2 246.301 0.952 20 0 BCADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CNOC2)CC1 ZINC000703349097 712072577 /nfs/dbraw/zinc/07/25/77/712072577.db2.gz HGMVHSGNQMKZGF-LLVKDONJSA-N 2 2 213.325 0.352 20 0 BCADLP CCC[NH+]1CCC([NH2+][C@H]2CNOC2)CC1 ZINC000703348730 712072746 /nfs/dbraw/zinc/07/27/46/712072746.db2.gz FGJOEVQQDAPSKU-NSHDSACASA-N 2 2 213.325 0.354 20 0 BCADLP Cn1nccc1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703602729 712081937 /nfs/dbraw/zinc/08/19/37/712081937.db2.gz MUNLEJJWNDOEJZ-CMPLNLGQSA-N 2 2 220.320 0.461 20 0 BCADLP Cn1nccc1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703602729 712081939 /nfs/dbraw/zinc/08/19/39/712081939.db2.gz MUNLEJJWNDOEJZ-CMPLNLGQSA-N 2 2 220.320 0.461 20 0 BCADLP COC1CC(C[N@@H+]2CCO[C@@H](C[NH3+])C2)C1 ZINC000703851567 712090350 /nfs/dbraw/zinc/09/03/50/712090350.db2.gz YVMJGIKNZLADGC-ILDUYXDCSA-N 2 2 214.309 0.071 20 0 BCADLP COC1CC(C[N@H+]2CCO[C@@H](C[NH3+])C2)C1 ZINC000703851567 712090351 /nfs/dbraw/zinc/09/03/51/712090351.db2.gz YVMJGIKNZLADGC-ILDUYXDCSA-N 2 2 214.309 0.071 20 0 BCADLP Cn1ncnc1C[N@H+](C)CCCCCC[NH3+] ZINC000707460803 712171135 /nfs/dbraw/zinc/17/11/35/712171135.db2.gz OLKGEWPMKMLUKC-UHFFFAOYSA-N 2 2 225.340 0.766 20 0 BCADLP Cn1ncnc1C[N@@H+](C)CCCCCC[NH3+] ZINC000707460803 712171136 /nfs/dbraw/zinc/17/11/36/712171136.db2.gz OLKGEWPMKMLUKC-UHFFFAOYSA-N 2 2 225.340 0.766 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711553639 712309001 /nfs/dbraw/zinc/30/90/01/712309001.db2.gz RJIPVBHZCGSFKU-AXFHLTTASA-N 2 2 228.361 0.270 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711553639 712309003 /nfs/dbraw/zinc/30/90/03/712309003.db2.gz RJIPVBHZCGSFKU-AXFHLTTASA-N 2 2 228.361 0.270 20 0 BCADLP CCN1CC[C@H]1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000712577590 712432614 /nfs/dbraw/zinc/43/26/14/712432614.db2.gz GTYNJGOTMVJWCR-STQMWFEESA-N 2 2 241.379 0.125 20 0 BCADLP CCN1CC[C@H]1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000712577590 712432615 /nfs/dbraw/zinc/43/26/15/712432615.db2.gz GTYNJGOTMVJWCR-STQMWFEESA-N 2 2 241.379 0.125 20 0 BCADLP CNc1cc(NC[C@H]2CC[N@@H+]2C)nc[nH+]1 ZINC000712542217 712443369 /nfs/dbraw/zinc/44/33/69/712443369.db2.gz XOAPHBNVHLKCHL-MRVPVSSYSA-N 2 2 207.281 0.634 20 0 BCADLP CNc1cc(NC[C@H]2CC[N@H+]2C)nc[nH+]1 ZINC000712542217 712443371 /nfs/dbraw/zinc/44/33/71/712443371.db2.gz XOAPHBNVHLKCHL-MRVPVSSYSA-N 2 2 207.281 0.634 20 0 BCADLP CCN1CC[C@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000712576969 712448344 /nfs/dbraw/zinc/44/83/44/712448344.db2.gz COHMWTPILNNNBQ-STQMWFEESA-N 2 2 241.379 0.127 20 0 BCADLP CC[N@H+](CC[NH3+])C[C@H]1CC2(CO1)CCOCC2 ZINC000712699576 712448768 /nfs/dbraw/zinc/44/87/68/712448768.db2.gz VJNMLPMIRVFOAT-GFCCVEGCSA-N 2 2 242.363 0.853 20 0 BCADLP CC[N@@H+](CC[NH3+])C[C@H]1CC2(CO1)CCOCC2 ZINC000712699576 712448769 /nfs/dbraw/zinc/44/87/69/712448769.db2.gz VJNMLPMIRVFOAT-GFCCVEGCSA-N 2 2 242.363 0.853 20 0 BCADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC000715569700 712529182 /nfs/dbraw/zinc/52/91/82/712529182.db2.gz KXPORYUEBVKCNZ-GHMZBOCLSA-N 2 2 248.392 0.493 20 0 BCADLP C[C@H](CC[NH2+]C1CC(S(C)(=O)=O)C1)[NH+](C)C ZINC000716094072 712549986 /nfs/dbraw/zinc/54/99/86/712549986.db2.gz MZYCMMBHHXCYCZ-KPPDAEKUSA-N 2 2 248.392 0.492 20 0 BCADLP C[C@H]([NH2+]CC1(C)OCCO1)[C@H]1CCCC[NH2+]1 ZINC000716888294 712580445 /nfs/dbraw/zinc/58/04/45/712580445.db2.gz NODHBQPJROVMGV-WDEREUQCSA-N 2 2 228.336 0.870 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OC)C1 ZINC000379964308 712636774 /nfs/dbraw/zinc/63/67/74/712636774.db2.gz HMRQNRSDBLQGSP-WDEREUQCSA-N 2 2 216.325 0.020 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OC)C1 ZINC000379964308 712636775 /nfs/dbraw/zinc/63/67/75/712636775.db2.gz HMRQNRSDBLQGSP-WDEREUQCSA-N 2 2 216.325 0.020 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](OC)C1 ZINC000379964308 712636776 /nfs/dbraw/zinc/63/67/76/712636776.db2.gz HMRQNRSDBLQGSP-WDEREUQCSA-N 2 2 216.325 0.020 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](OC)C1 ZINC000379964308 712636777 /nfs/dbraw/zinc/63/67/77/712636777.db2.gz HMRQNRSDBLQGSP-WDEREUQCSA-N 2 2 216.325 0.020 20 0 BCADLP CS(=O)(=O)CC[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037904692 712785678 /nfs/dbraw/zinc/78/56/78/712785678.db2.gz OTIRAKXKZDENJZ-JTQLQIEISA-N 2 2 246.376 0.105 20 0 BCADLP CS(=O)(=O)CC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037904692 712785681 /nfs/dbraw/zinc/78/56/81/712785681.db2.gz OTIRAKXKZDENJZ-JTQLQIEISA-N 2 2 246.376 0.105 20 0 BCADLP C[C@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)CCO1 ZINC000719666028 712818461 /nfs/dbraw/zinc/81/84/61/712818461.db2.gz DIOQIRZMJOKGSS-UNXYVOJBSA-N 2 2 210.321 0.849 20 0 BCADLP C[C@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)CCO1 ZINC000719666028 712818462 /nfs/dbraw/zinc/81/84/62/712818462.db2.gz DIOQIRZMJOKGSS-UNXYVOJBSA-N 2 2 210.321 0.849 20 0 BCADLP C(C[NH+]1CCOCC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000720919297 712878485 /nfs/dbraw/zinc/87/84/85/712878485.db2.gz MHOQMIWWTYSBPB-STQMWFEESA-N 2 2 239.363 0.145 20 0 BCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccoc2)C1 ZINC000380347032 712891503 /nfs/dbraw/zinc/89/15/03/712891503.db2.gz UFMCSZAQUVNZFY-LLVKDONJSA-N 2 2 210.277 0.436 20 0 BCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccoc2)C1 ZINC000380347032 712891507 /nfs/dbraw/zinc/89/15/07/712891507.db2.gz UFMCSZAQUVNZFY-LLVKDONJSA-N 2 2 210.277 0.436 20 0 BCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc[nH+]c(N)n1 ZINC001120914529 719223835 /nfs/dbraw/zinc/22/38/35/719223835.db2.gz QSXIBHGBMBVBAV-IUCAKERBSA-N 2 2 221.308 0.588 20 0 BCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cc[nH+]c(N)n1 ZINC001120914529 719223839 /nfs/dbraw/zinc/22/38/39/719223839.db2.gz QSXIBHGBMBVBAV-IUCAKERBSA-N 2 2 221.308 0.588 20 0 BCADLP Cc1cc[nH+]c(N2CCN3CC[NH2+]C[C@@H]3C2)c1 ZINC001164390457 718827964 /nfs/dbraw/zinc/82/79/64/718827964.db2.gz DVUAWFNEADYNBH-GFCCVEGCSA-N 2 2 232.331 0.484 20 0 BCADLP Cc1c[nH+]c(N2CCN3CC[NH2+]C[C@H]3C2)c(C)c1 ZINC001164398940 718834074 /nfs/dbraw/zinc/83/40/74/718834074.db2.gz MKTVXJDTLSHYAB-ZDUSSCGKSA-N 2 2 246.358 0.792 20 0 BCADLP Cc1c[nH+]c(N2CCN3CC[NH2+]C[C@@H]3C2)c(N)c1 ZINC001164407423 718837577 /nfs/dbraw/zinc/83/75/77/718837577.db2.gz WPKPZHDPLMXLAT-LLVKDONJSA-N 2 2 247.346 0.066 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc(N)[nH+]cn1 ZINC001164634877 719230904 /nfs/dbraw/zinc/23/09/04/719230904.db2.gz HZOGHWZUNGHXHX-DTWKUNHWSA-N 2 2 221.308 0.588 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cc(N)[nH+]cn1 ZINC001164634877 719230906 /nfs/dbraw/zinc/23/09/06/719230906.db2.gz HZOGHWZUNGHXHX-DTWKUNHWSA-N 2 2 221.308 0.588 20 0 BCADLP Cc1c[nH+]c(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(N)c1 ZINC001164669393 719420061 /nfs/dbraw/zinc/42/00/61/719420061.db2.gz LWRMLNVUUFKUMM-RYUDHWBXSA-N 2 2 248.330 0.491 20 0 BCADLP Cc1c[nH+]c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c(N)c1 ZINC001164669393 719420066 /nfs/dbraw/zinc/42/00/66/719420066.db2.gz LWRMLNVUUFKUMM-RYUDHWBXSA-N 2 2 248.330 0.491 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000385188787 398138776 /nfs/dbraw/zinc/13/87/76/398138776.db2.gz PSTLSXWPHRRESE-NZEXEKPDSA-N 2 2 242.363 0.909 20 0 BCADLP C[N@@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000408083831 136210396 /nfs/dbraw/zinc/21/03/96/136210396.db2.gz ZMCNYXQIPRXZLX-UHFFFAOYSA-N 2 2 236.319 0.506 20 0 BCADLP C[N@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000408083831 136210397 /nfs/dbraw/zinc/21/03/97/136210397.db2.gz ZMCNYXQIPRXZLX-UHFFFAOYSA-N 2 2 236.319 0.506 20 0 BCADLP CCC(CC)(C[NH3+])C(=O)NCc1[nH+]ccn1C ZINC000071275956 168322790 /nfs/dbraw/zinc/32/27/90/168322790.db2.gz XQWVUOOURQPYLR-UHFFFAOYSA-N 2 2 238.335 0.801 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)[C@@H](C)C1 ZINC000378699682 346810576 /nfs/dbraw/zinc/81/05/76/346810576.db2.gz MSDBJWGFSYCCNF-RVMXOQNASA-N 2 2 224.348 0.853 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)[C@@H](C)C1 ZINC000378699682 346810580 /nfs/dbraw/zinc/81/05/80/346810580.db2.gz MSDBJWGFSYCCNF-RVMXOQNASA-N 2 2 224.348 0.853 20 0 BCADLP COC[C@]1(C(=O)Nc2cc[nH+]cc2C)CCC[NH2+]1 ZINC000649320712 398143919 /nfs/dbraw/zinc/14/39/19/398143919.db2.gz YHLCPLDBTONGBB-ZDUSSCGKSA-N 2 2 249.314 0.519 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1nncn1C ZINC000156236859 136213419 /nfs/dbraw/zinc/21/34/19/136213419.db2.gz AZGQAYMMXWIHDK-DCAQKATOSA-N 2 2 237.351 0.948 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1nncn1C ZINC000156236859 136213420 /nfs/dbraw/zinc/21/34/20/136213420.db2.gz AZGQAYMMXWIHDK-DCAQKATOSA-N 2 2 237.351 0.948 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCCS(C)(=O)=O)CC[N@@H+]1C ZINC000156240205 136213496 /nfs/dbraw/zinc/21/34/96/136213496.db2.gz FUFITFWNDRFLIS-WDEREUQCSA-N 2 2 248.392 0.493 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCCS(C)(=O)=O)CC[N@H+]1C ZINC000156240205 136213497 /nfs/dbraw/zinc/21/34/97/136213497.db2.gz FUFITFWNDRFLIS-WDEREUQCSA-N 2 2 248.392 0.493 20 0 BCADLP Cc1c[nH]c(CN2CCO[C@H](C[NH+](C)C)C2)[nH+]1 ZINC000628118560 398159225 /nfs/dbraw/zinc/15/92/25/398159225.db2.gz YCGCDSOZILGXKO-LLVKDONJSA-N 2 2 238.335 0.481 20 0 BCADLP C[N@H+](CCNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000299692198 398152378 /nfs/dbraw/zinc/15/23/78/398152378.db2.gz WJGNQYDBKNPBLC-UHFFFAOYSA-N 2 2 236.319 0.484 20 0 BCADLP C[N@@H+](CCNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000299692198 398152385 /nfs/dbraw/zinc/15/23/85/398152385.db2.gz WJGNQYDBKNPBLC-UHFFFAOYSA-N 2 2 236.319 0.484 20 0 BCADLP COCCOCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422907610 398157372 /nfs/dbraw/zinc/15/73/72/398157372.db2.gz XFHDEHJLJFCDOK-QWRGUYRKSA-N 2 2 216.325 0.237 20 0 BCADLP CC(C)N(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424292200 398180785 /nfs/dbraw/zinc/18/07/85/398180785.db2.gz OJOWQEKFIZSIKH-GHMZBOCLSA-N 2 2 227.352 0.713 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000380106240 398185996 /nfs/dbraw/zinc/18/59/96/398185996.db2.gz JTBXQEZJLZIIAD-JTQLQIEISA-N 2 2 236.319 0.900 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1CCCO1 ZINC000381109800 398189302 /nfs/dbraw/zinc/18/93/02/398189302.db2.gz ZQICARFAXWTTJG-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1CCCO1 ZINC000381109800 398189304 /nfs/dbraw/zinc/18/93/04/398189304.db2.gz ZQICARFAXWTTJG-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H]1CCCO1 ZINC000381109800 398189306 /nfs/dbraw/zinc/18/93/06/398189306.db2.gz ZQICARFAXWTTJG-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H]1CCCO1 ZINC000381109800 398189307 /nfs/dbraw/zinc/18/93/07/398189307.db2.gz ZQICARFAXWTTJG-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000072826025 343982812 /nfs/dbraw/zinc/98/28/12/343982812.db2.gz NHGNDPDCHWDXGS-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP Cc1cc(NC(=O)C2([NH3+])CCOCC2)cc[nH+]1 ZINC000128021422 178125999 /nfs/dbraw/zinc/12/59/99/178125999.db2.gz SKZVLBLDFRUAPT-UHFFFAOYSA-N 2 2 235.287 0.836 20 0 BCADLP Cc1cc(NC(=O)[C@@H]2CC[NH2+]C2)cc[nH+]1 ZINC000086113993 178145853 /nfs/dbraw/zinc/14/58/53/178145853.db2.gz YUVIPBYOKKTEBU-SECBINFHSA-N 2 2 205.261 0.938 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CC[NH2+]C2)C1 ZINC000649414234 398213033 /nfs/dbraw/zinc/21/30/33/398213033.db2.gz NQJYTJYZDGWIKB-QWHCGFSZSA-N 3 2 225.380 0.870 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CC[NH2+]C2)C1 ZINC000649414234 398213035 /nfs/dbraw/zinc/21/30/35/398213035.db2.gz NQJYTJYZDGWIKB-QWHCGFSZSA-N 3 2 225.380 0.870 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000649414234 398213037 /nfs/dbraw/zinc/21/30/37/398213037.db2.gz NQJYTJYZDGWIKB-QWHCGFSZSA-N 3 2 225.380 0.870 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000649414234 398213040 /nfs/dbraw/zinc/21/30/40/398213040.db2.gz NQJYTJYZDGWIKB-QWHCGFSZSA-N 3 2 225.380 0.870 20 0 BCADLP Cc1cc(NC[C@@H]2C[N@@H+](C)CCN2C)nc(C)[nH+]1 ZINC000068806326 178166644 /nfs/dbraw/zinc/16/66/44/178166644.db2.gz UMFFLKZVVAJPLZ-GFCCVEGCSA-N 2 2 249.362 0.751 20 0 BCADLP Cc1cc(NC[C@@H]2C[N@H+](C)CCN2C)nc(C)[nH+]1 ZINC000068806326 178166647 /nfs/dbraw/zinc/16/66/47/178166647.db2.gz UMFFLKZVVAJPLZ-GFCCVEGCSA-N 2 2 249.362 0.751 20 0 BCADLP Cc1cc(NC[C@@H]2CN(C)CC[N@@H+]2C)nc(C)[nH+]1 ZINC000068806326 178166649 /nfs/dbraw/zinc/16/66/49/178166649.db2.gz UMFFLKZVVAJPLZ-GFCCVEGCSA-N 2 2 249.362 0.751 20 0 BCADLP Cc1cc(NC[C@@H]2CN(C)CC[N@H+]2C)nc(C)[nH+]1 ZINC000068806326 178166651 /nfs/dbraw/zinc/16/66/51/178166651.db2.gz UMFFLKZVVAJPLZ-GFCCVEGCSA-N 2 2 249.362 0.751 20 0 BCADLP C[C@H](O)[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000387085656 398225243 /nfs/dbraw/zinc/22/52/43/398225243.db2.gz ZOMNQNIUMAIFKT-IUCAKERBSA-N 2 2 226.324 0.345 20 0 BCADLP CCN(C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000649422767 398222178 /nfs/dbraw/zinc/22/21/78/398222178.db2.gz VQEDYVJKJWYIMZ-LLVKDONJSA-N 2 2 242.367 0.411 20 0 BCADLP CCN(C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000649422767 398222180 /nfs/dbraw/zinc/22/21/80/398222180.db2.gz VQEDYVJKJWYIMZ-LLVKDONJSA-N 2 2 242.367 0.411 20 0 BCADLP CCC[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000073364652 343987103 /nfs/dbraw/zinc/98/71/03/343987103.db2.gz CFNZMCVQLSKSRS-UHFFFAOYSA-N 2 2 236.319 0.437 20 0 BCADLP CCOCCNC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000430574637 398228875 /nfs/dbraw/zinc/22/88/75/398228875.db2.gz JASPESDUICSPIY-UHFFFAOYSA-N 2 2 245.367 0.056 20 0 BCADLP CCOCCNC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430574637 398228876 /nfs/dbraw/zinc/22/88/76/398228876.db2.gz JASPESDUICSPIY-UHFFFAOYSA-N 2 2 245.367 0.056 20 0 BCADLP C[C@@H](O)CC[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431092183 398234090 /nfs/dbraw/zinc/23/40/90/398234090.db2.gz ZIVGZICCHAOLSZ-MRVPVSSYSA-N 2 2 242.323 0.466 20 0 BCADLP C[C@@H](O)CC[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431092183 398234093 /nfs/dbraw/zinc/23/40/93/398234093.db2.gz ZIVGZICCHAOLSZ-MRVPVSSYSA-N 2 2 242.323 0.466 20 0 BCADLP C[N@H+](CC(=O)NCc1c[nH+]c[nH]1)C1CCC1 ZINC000629963609 361810378 /nfs/dbraw/zinc/81/03/78/361810378.db2.gz PUSWSLBKXBDJAB-UHFFFAOYSA-N 2 2 222.292 0.510 20 0 BCADLP C[N@@H+](CC(=O)NCc1c[nH+]c[nH]1)C1CCC1 ZINC000629963609 361810381 /nfs/dbraw/zinc/81/03/81/361810381.db2.gz PUSWSLBKXBDJAB-UHFFFAOYSA-N 2 2 222.292 0.510 20 0 BCADLP C[N@H+](CC(=O)NCc1c[nH]c[nH+]1)C1CCC1 ZINC000629963609 361810385 /nfs/dbraw/zinc/81/03/85/361810385.db2.gz PUSWSLBKXBDJAB-UHFFFAOYSA-N 2 2 222.292 0.510 20 0 BCADLP C[N@@H+](CC(=O)NCc1c[nH]c[nH+]1)C1CCC1 ZINC000629963609 361810386 /nfs/dbraw/zinc/81/03/86/361810386.db2.gz PUSWSLBKXBDJAB-UHFFFAOYSA-N 2 2 222.292 0.510 20 0 BCADLP C[N@@H+](CC(=O)NCCc1[nH]cc[nH+]1)C1CCC1 ZINC000629959662 361803079 /nfs/dbraw/zinc/80/30/79/361803079.db2.gz HWTUFKDCYHOZBG-UHFFFAOYSA-N 2 2 236.319 0.553 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c[nH+]1 ZINC000576755913 365677928 /nfs/dbraw/zinc/67/79/28/365677928.db2.gz CCFIUDREMFGWCM-RQJHMYQMSA-N 2 2 210.281 0.574 20 0 BCADLP CC(C)[C@H](C(=O)NCc1c[nH+]cn1C)[NH+](C)C ZINC000291178243 538947787 /nfs/dbraw/zinc/94/77/87/538947787.db2.gz JMKMLZJYECKHSR-LLVKDONJSA-N 2 2 238.335 0.623 20 0 BCADLP COCC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000200259777 538948659 /nfs/dbraw/zinc/94/86/59/538948659.db2.gz AKQUPWCBZJECFO-UHFFFAOYSA-N 2 2 228.336 0.429 20 0 BCADLP Cc1cc(C)n(CC[N@H+]2CC[C@H]([NH3+])[C@@H]2C)n1 ZINC000386809763 398266265 /nfs/dbraw/zinc/26/62/65/398266265.db2.gz RNUMJYUGRPFKQB-RYUDHWBXSA-N 2 2 222.336 0.921 20 0 BCADLP Cc1cc(C)n(CC[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)n1 ZINC000386809763 398266268 /nfs/dbraw/zinc/26/62/68/398266268.db2.gz RNUMJYUGRPFKQB-RYUDHWBXSA-N 2 2 222.336 0.921 20 0 BCADLP Cc1cc(NC[C@H]2C[NH+]3CCN2CC3)nc(C)[nH+]1 ZINC000179075773 538954448 /nfs/dbraw/zinc/95/44/48/538954448.db2.gz CZVHJKLUEWIDCJ-LBPRGKRZSA-N 2 2 247.346 0.505 20 0 BCADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(N)=O ZINC000035047473 538955536 /nfs/dbraw/zinc/95/55/36/538955536.db2.gz KDDWPLARADEARR-SNVBAGLBSA-N 2 2 244.298 0.836 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](Cc2cccnc2)CCCO1 ZINC000313343997 344000559 /nfs/dbraw/zinc/00/05/59/344000559.db2.gz DNRCMHBICZUHLV-LBPRGKRZSA-N 2 2 221.304 0.631 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccnc2)CCCO1 ZINC000313343997 344000560 /nfs/dbraw/zinc/00/05/60/344000560.db2.gz DNRCMHBICZUHLV-LBPRGKRZSA-N 2 2 221.304 0.631 20 0 BCADLP CCC[NH+]1CCC([NH2+]CC(=O)NC2CC2)CC1 ZINC000035142136 538956106 /nfs/dbraw/zinc/95/61/06/538956106.db2.gz CCDKXIISQFCAIO-UHFFFAOYSA-N 2 2 239.363 0.729 20 0 BCADLP CCOCC[N@@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000165661506 361842992 /nfs/dbraw/zinc/84/29/92/361842992.db2.gz HLWYNHSCDWBJQZ-GHMZBOCLSA-N 2 2 216.325 0.461 20 0 BCADLP CCOCC[N@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000165661506 361842997 /nfs/dbraw/zinc/84/29/97/361842997.db2.gz HLWYNHSCDWBJQZ-GHMZBOCLSA-N 2 2 216.325 0.461 20 0 BCADLP O=C(c1ccc2[nH+]ccn2c1)N1CC[NH2+]CC1 ZINC000082652855 398277176 /nfs/dbraw/zinc/27/71/76/398277176.db2.gz HVJNDMKPUWDCKX-UHFFFAOYSA-N 2 2 230.271 0.380 20 0 BCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493319817 529384534 /nfs/dbraw/zinc/38/45/34/529384534.db2.gz KUHPRGZHJLLECM-QMAVJUDZSA-N 2 2 248.330 0.976 20 0 BCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493319817 529384535 /nfs/dbraw/zinc/38/45/35/529384535.db2.gz KUHPRGZHJLLECM-QMAVJUDZSA-N 2 2 248.330 0.976 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N1CCC([NH3+])CC1 ZINC000630048427 361917609 /nfs/dbraw/zinc/91/76/09/361917609.db2.gz ZGLCIBYIJXSQHN-UHFFFAOYSA-N 2 2 234.303 0.767 20 0 BCADLP Cc1cc(NC(=O)N(C)[C@H]2CC[NH2+]C2)cc[nH+]1 ZINC000583982369 342823281 /nfs/dbraw/zinc/82/32/81/342823281.db2.gz OOXLGALHWYFUMQ-NSHDSACASA-N 2 2 234.303 0.638 20 0 BCADLP Cc1cc[nH+]c(NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC000624772601 342827110 /nfs/dbraw/zinc/82/71/10/342827110.db2.gz AGHWWCJODBYFKT-NSHDSACASA-N 2 2 221.304 0.869 20 0 BCADLP Cc1cc[nH+]c(NCC[N@H+]2CC[C@H](O)C2)c1 ZINC000624772601 342827111 /nfs/dbraw/zinc/82/71/11/342827111.db2.gz AGHWWCJODBYFKT-NSHDSACASA-N 2 2 221.304 0.869 20 0 BCADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCOC1 ZINC000449394290 398294099 /nfs/dbraw/zinc/29/40/99/398294099.db2.gz NNPUHOYIMCVFNT-OLZOCXBDSA-N 2 2 242.363 0.602 20 0 BCADLP OCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCOC1 ZINC000449394290 398294102 /nfs/dbraw/zinc/29/41/02/398294102.db2.gz NNPUHOYIMCVFNT-OLZOCXBDSA-N 2 2 242.363 0.602 20 0 BCADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCOC1 ZINC000449394293 398294586 /nfs/dbraw/zinc/29/45/86/398294586.db2.gz NNPUHOYIMCVFNT-STQMWFEESA-N 2 2 242.363 0.602 20 0 BCADLP OCC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCOC1 ZINC000449394293 398294589 /nfs/dbraw/zinc/29/45/89/398294589.db2.gz NNPUHOYIMCVFNT-STQMWFEESA-N 2 2 242.363 0.602 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+](CCCO)C1CC1)C1CC1 ZINC000383873299 539012065 /nfs/dbraw/zinc/01/20/65/539012065.db2.gz BIWSNZJXOVKMPR-ZDUSSCGKSA-N 2 2 242.363 0.288 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+](CCCO)C1CC1)C1CC1 ZINC000383873299 539012066 /nfs/dbraw/zinc/01/20/66/539012066.db2.gz BIWSNZJXOVKMPR-ZDUSSCGKSA-N 2 2 242.363 0.288 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+](CCCO)C1CC1)C1CC1 ZINC000383873299 539012068 /nfs/dbraw/zinc/01/20/68/539012068.db2.gz BIWSNZJXOVKMPR-ZDUSSCGKSA-N 2 2 242.363 0.288 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+](CCCO)C1CC1)C1CC1 ZINC000383873299 539012069 /nfs/dbraw/zinc/01/20/69/539012069.db2.gz BIWSNZJXOVKMPR-ZDUSSCGKSA-N 2 2 242.363 0.288 20 0 BCADLP CCC(=O)N1CCC([NH2+]CC[NH+](C)C)CC1 ZINC000390497145 539022683 /nfs/dbraw/zinc/02/26/83/539022683.db2.gz SLXMBAFKGXPMBB-UHFFFAOYSA-N 2 2 227.352 0.539 20 0 BCADLP Cc1cnn(C)c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000390657867 539027036 /nfs/dbraw/zinc/02/70/36/539027036.db2.gz RHUNPPDVBNDVBY-PHIMTYICSA-N 2 2 220.320 0.380 20 0 BCADLP Cc1cnn(C)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000390657867 539027037 /nfs/dbraw/zinc/02/70/37/539027037.db2.gz RHUNPPDVBNDVBY-PHIMTYICSA-N 2 2 220.320 0.380 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000380229871 346867693 /nfs/dbraw/zinc/86/76/93/346867693.db2.gz QGJCATWRXKVUDO-VXNVDRBHSA-N 2 2 222.292 0.332 20 0 BCADLP O=C1CC[C@@H](C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)N1 ZINC000649510327 398304381 /nfs/dbraw/zinc/30/43/81/398304381.db2.gz AABBMYBHMIBLAG-NWDGAFQWSA-N 2 2 248.330 0.799 20 0 BCADLP O=C1CC[C@@H](C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)N1 ZINC000649510327 398304382 /nfs/dbraw/zinc/30/43/82/398304382.db2.gz AABBMYBHMIBLAG-NWDGAFQWSA-N 2 2 248.330 0.799 20 0 BCADLP Cc1cc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc[nH+]1 ZINC000333169618 398316367 /nfs/dbraw/zinc/31/63/67/398316367.db2.gz NKBCCXSKJFVLTJ-PWSUYJOCSA-N 2 2 246.314 0.638 20 0 BCADLP CC[NH+](CC)CCC[N@H+](C)[C@@H]1COC[C@H]1O ZINC000352801087 398323630 /nfs/dbraw/zinc/32/36/30/398323630.db2.gz QRGLXDFBJNGEFC-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000352801087 398323632 /nfs/dbraw/zinc/32/36/32/398323632.db2.gz QRGLXDFBJNGEFC-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+]1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC000037207463 342924972 /nfs/dbraw/zinc/92/49/72/342924972.db2.gz ACPMSOJMGDMWOJ-UHFFFAOYSA-N 2 2 213.325 0.149 20 0 BCADLP Cn1cc(C[NH2+]C2CC[NH+](C)CC2)cn1 ZINC000037248746 342925554 /nfs/dbraw/zinc/92/55/54/342925554.db2.gz XAZVJHHXBGRQLA-UHFFFAOYSA-N 2 2 208.309 0.604 20 0 BCADLP CCc1nnc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)[nH]1 ZINC000392365376 398325363 /nfs/dbraw/zinc/32/53/63/398325363.db2.gz VAMVFOBQESDDLL-VHSXEESVSA-N 2 2 237.351 0.939 20 0 BCADLP CCc1nnc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)[nH]1 ZINC000392365376 398325364 /nfs/dbraw/zinc/32/53/64/398325364.db2.gz VAMVFOBQESDDLL-VHSXEESVSA-N 2 2 237.351 0.939 20 0 BCADLP COC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124380871 398338885 /nfs/dbraw/zinc/33/88/85/398338885.db2.gz QNZZUVHWVXBJIW-SNVBAGLBSA-N 2 2 225.292 0.767 20 0 BCADLP COC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124380871 398338886 /nfs/dbraw/zinc/33/88/86/398338886.db2.gz QNZZUVHWVXBJIW-SNVBAGLBSA-N 2 2 225.292 0.767 20 0 BCADLP C[C@@H](CO)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000678053643 488188426 /nfs/dbraw/zinc/18/84/26/488188426.db2.gz OQTOIMGORKBCDB-GHMZBOCLSA-N 2 2 223.320 0.838 20 0 BCADLP C[C@@H](CO)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000678053643 488188428 /nfs/dbraw/zinc/18/84/28/488188428.db2.gz OQTOIMGORKBCDB-GHMZBOCLSA-N 2 2 223.320 0.838 20 0 BCADLP CNC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157352065 398340166 /nfs/dbraw/zinc/34/01/66/398340166.db2.gz NWCFHBMYIDLSKT-LLVKDONJSA-N 2 2 225.336 0.150 20 0 BCADLP CNC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157352065 398340167 /nfs/dbraw/zinc/34/01/67/398340167.db2.gz NWCFHBMYIDLSKT-LLVKDONJSA-N 2 2 225.336 0.150 20 0 BCADLP O=C(C[C@@H]1CSCC[NH2+]1)NCc1c[nH+]c[nH]1 ZINC000085614869 488189912 /nfs/dbraw/zinc/18/99/12/488189912.db2.gz OATJJLOGUSFYSA-MRVPVSSYSA-N 2 2 240.332 0.121 20 0 BCADLP O=C(C[C@@H]1CSCC[NH2+]1)NCc1c[nH]c[nH+]1 ZINC000085614869 488189913 /nfs/dbraw/zinc/18/99/13/488189913.db2.gz OATJJLOGUSFYSA-MRVPVSSYSA-N 2 2 240.332 0.121 20 0 BCADLP COCCN1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000328209147 346901317 /nfs/dbraw/zinc/90/13/17/346901317.db2.gz UWOJPIRGKSZGJU-STQMWFEESA-N 2 2 241.379 0.391 20 0 BCADLP COCCN1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000328209147 346901318 /nfs/dbraw/zinc/90/13/18/346901318.db2.gz UWOJPIRGKSZGJU-STQMWFEESA-N 2 2 241.379 0.391 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CCC[C@H]1C[NH3+] ZINC000493730626 529550959 /nfs/dbraw/zinc/55/09/59/529550959.db2.gz WATORHKSTWUIKQ-QRGHLMKCSA-N 2 2 248.330 0.866 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[NH2+][C@H](C)C1 ZINC000493102177 529551516 /nfs/dbraw/zinc/55/15/16/529551516.db2.gz DKDBWRVJACXJPX-SGUJLRQBSA-N 2 2 248.330 0.737 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000493138137 529556472 /nfs/dbraw/zinc/55/64/72/529556472.db2.gz HLCJTIDYBSXCBD-OHVQCGIBSA-N 2 2 246.314 0.250 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CCC[C@@H]1C[NH3+] ZINC000493730622 529557359 /nfs/dbraw/zinc/55/73/59/529557359.db2.gz WATORHKSTWUIKQ-ISALQUGTSA-N 2 2 248.330 0.866 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CCC[C@H]1C[NH3+] ZINC000493730620 529558289 /nfs/dbraw/zinc/55/82/89/529558289.db2.gz WATORHKSTWUIKQ-GZTOBOFZSA-N 2 2 248.330 0.866 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)NC1CC[NH2+]CC1 ZINC000493181163 529559011 /nfs/dbraw/zinc/55/90/11/529559011.db2.gz AUAOZOFYVLMURX-ARJAWSKDSA-N 2 2 248.330 0.784 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)NCCCC[NH3+] ZINC000493679311 529559131 /nfs/dbraw/zinc/55/91/31/529559131.db2.gz ALHRWXUVHUYPKA-WAYWQWQTSA-N 2 2 236.319 0.771 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)NC[C@@H](C)C[NH3+] ZINC000493168840 529559517 /nfs/dbraw/zinc/55/95/17/529559517.db2.gz TVPJNNZYDHRURR-LWTINBJPSA-N 2 2 236.319 0.627 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000493081435 529560157 /nfs/dbraw/zinc/56/01/57/529560157.db2.gz HARNQNCGUOCZPV-KWMOZEJZSA-N 2 2 236.319 0.768 20 0 BCADLP COC(=O)[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000602765947 349722048 /nfs/dbraw/zinc/72/20/48/349722048.db2.gz NFGIGLLNWCIGNG-JTQLQIEISA-N 2 2 237.303 0.458 20 0 BCADLP COC(=O)[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000602765947 349722052 /nfs/dbraw/zinc/72/20/52/349722052.db2.gz NFGIGLLNWCIGNG-JTQLQIEISA-N 2 2 237.303 0.458 20 0 BCADLP CC[C@@H]([NH3+])CNC(=O)CCn1cc[nH+]c1 ZINC000082578997 362064933 /nfs/dbraw/zinc/06/49/33/362064933.db2.gz GQWXLJCGZOVDLJ-SECBINFHSA-N 2 2 210.281 0.127 20 0 BCADLP Cn1cc[nH+]c1Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000640952080 362096325 /nfs/dbraw/zinc/09/63/25/362096325.db2.gz DKLFARWZLAJLAD-JTQLQIEISA-N 2 2 246.318 0.212 20 0 BCADLP Cn1cc[nH+]c1Cn1cc(C[NH+]2CCCC2)nn1 ZINC000640952273 362096610 /nfs/dbraw/zinc/09/66/10/362096610.db2.gz GKGYZTSEBPRKJW-UHFFFAOYSA-N 2 2 246.318 0.656 20 0 BCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000127692335 343179127 /nfs/dbraw/zinc/17/91/27/343179127.db2.gz DIAZVWHEBGIBNF-NXEZZACHSA-N 2 2 236.319 0.457 20 0 BCADLP COc1cccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000122508827 343160376 /nfs/dbraw/zinc/16/03/76/343160376.db2.gz NOEQSXQETNZZNY-CYBMUJFWSA-N 2 2 249.358 0.770 20 0 BCADLP COc1cccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000122508827 343160377 /nfs/dbraw/zinc/16/03/77/343160377.db2.gz NOEQSXQETNZZNY-CYBMUJFWSA-N 2 2 249.358 0.770 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccn(C)n2)C1 ZINC000123780436 343165784 /nfs/dbraw/zinc/16/57/84/343165784.db2.gz PWZCXSIXPDDZPN-QWRGUYRKSA-N 2 2 222.336 0.979 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccn(C)n2)C1 ZINC000123780436 343165786 /nfs/dbraw/zinc/16/57/86/343165786.db2.gz PWZCXSIXPDDZPN-QWRGUYRKSA-N 2 2 222.336 0.979 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccn(C)n2)C1 ZINC000123780169 343165830 /nfs/dbraw/zinc/16/58/30/343165830.db2.gz PWZCXSIXPDDZPN-GHMZBOCLSA-N 2 2 222.336 0.979 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccn(C)n2)C1 ZINC000123780169 343165831 /nfs/dbraw/zinc/16/58/31/343165831.db2.gz PWZCXSIXPDDZPN-GHMZBOCLSA-N 2 2 222.336 0.979 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccn(C)n2)C1 ZINC000123884504 343166764 /nfs/dbraw/zinc/16/67/64/343166764.db2.gz QRFWQYZDMYIKEL-LLVKDONJSA-N 2 2 222.336 0.852 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccn(C)n2)C1 ZINC000123884504 343166765 /nfs/dbraw/zinc/16/67/65/343166765.db2.gz QRFWQYZDMYIKEL-LLVKDONJSA-N 2 2 222.336 0.852 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000133607719 343185673 /nfs/dbraw/zinc/18/56/73/343185673.db2.gz RNIBRKNROLGCML-NXEZZACHSA-N 2 2 213.325 0.323 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000133607719 343185674 /nfs/dbraw/zinc/18/56/74/343185674.db2.gz RNIBRKNROLGCML-NXEZZACHSA-N 2 2 213.325 0.323 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cncn1C ZINC000133616632 343185679 /nfs/dbraw/zinc/18/56/79/343185679.db2.gz OIKMTPBXSKEHBU-UWVGGRQHSA-N 2 2 208.309 0.732 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cncn1C ZINC000133616632 343185680 /nfs/dbraw/zinc/18/56/80/343185680.db2.gz OIKMTPBXSKEHBU-UWVGGRQHSA-N 2 2 208.309 0.732 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CCN1Cc1c[nH+]cn1C ZINC000133616632 343185681 /nfs/dbraw/zinc/18/56/81/343185681.db2.gz OIKMTPBXSKEHBU-UWVGGRQHSA-N 2 2 208.309 0.732 20 0 BCADLP CCn1cc[nH+]c1CN1CC[C@H]([NH2+]C)C1 ZINC000150242569 343197179 /nfs/dbraw/zinc/19/71/79/343197179.db2.gz SUCXGAYFIWMGEX-JTQLQIEISA-N 2 2 208.309 0.697 20 0 BCADLP CC(C)C[C@H](CO)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336767312 136275971 /nfs/dbraw/zinc/27/59/71/136275971.db2.gz SXTNGWLDVQRKCE-IJLUTSLNSA-N 2 2 214.353 0.933 20 0 BCADLP CC(C)C[C@H](CO)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336767312 136275972 /nfs/dbraw/zinc/27/59/72/136275972.db2.gz SXTNGWLDVQRKCE-IJLUTSLNSA-N 2 2 214.353 0.933 20 0 BCADLP CC[N@H+](CC(C)C)C[C@@H]1C[NH2+]CCO1 ZINC000043802172 488208162 /nfs/dbraw/zinc/20/81/62/488208162.db2.gz BKPOJZIUCUOCFV-NSHDSACASA-N 2 2 200.326 0.953 20 0 BCADLP CC[N@@H+](CC(C)C)C[C@@H]1C[NH2+]CCO1 ZINC000043802172 488208166 /nfs/dbraw/zinc/20/81/66/488208166.db2.gz BKPOJZIUCUOCFV-NSHDSACASA-N 2 2 200.326 0.953 20 0 BCADLP c1ccn2c(c1)nnc2C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000132027814 343187684 /nfs/dbraw/zinc/18/76/84/343187684.db2.gz OFBZHDJSFRYKNN-LLVKDONJSA-N 2 2 245.330 0.819 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCC1CC1 ZINC000133599475 343190882 /nfs/dbraw/zinc/19/08/82/343190882.db2.gz SAJKGMBOXUSMKX-MWLCHTKSSA-N 2 2 225.336 0.324 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCC1CC1 ZINC000133599475 343190886 /nfs/dbraw/zinc/19/08/86/343190886.db2.gz SAJKGMBOXUSMKX-MWLCHTKSSA-N 2 2 225.336 0.324 20 0 BCADLP COc1c(N)[nH+]cnc1NCC[N@H+](C)C1CC1 ZINC000134883306 343192030 /nfs/dbraw/zinc/19/20/30/343192030.db2.gz MISYVIJFISWTPS-UHFFFAOYSA-N 2 2 237.307 0.574 20 0 BCADLP COc1c(N)[nH+]cnc1NCC[N@@H+](C)C1CC1 ZINC000134883306 343192032 /nfs/dbraw/zinc/19/20/32/343192032.db2.gz MISYVIJFISWTPS-UHFFFAOYSA-N 2 2 237.307 0.574 20 0 BCADLP CC[NH+]1CCN(c2nc[nH+]c(N)c2OC)CC1 ZINC000134805569 343195324 /nfs/dbraw/zinc/19/53/24/343195324.db2.gz CYXOEUCFACZKQA-UHFFFAOYSA-N 2 2 237.307 0.209 20 0 BCADLP C[N@H+](CCOC[C@H]1CCCO1)C1(C[NH3+])CCC1 ZINC000569723564 323038857 /nfs/dbraw/zinc/03/88/57/323038857.db2.gz CUBJIHFUCBPNBU-GFCCVEGCSA-N 2 2 242.363 0.995 20 0 BCADLP C[N@@H+](CCOC[C@H]1CCCO1)C1(C[NH3+])CCC1 ZINC000569723564 323038858 /nfs/dbraw/zinc/03/88/58/323038858.db2.gz CUBJIHFUCBPNBU-GFCCVEGCSA-N 2 2 242.363 0.995 20 0 BCADLP CCCC[C@@H](C(=O)OC)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000608991201 343253054 /nfs/dbraw/zinc/25/30/54/343253054.db2.gz LHFKTZHDUVEXOV-TUAOUCFPSA-N 2 2 240.347 0.869 20 0 BCADLP CCCC[C@@H](C(=O)OC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000608991201 343253055 /nfs/dbraw/zinc/25/30/55/343253055.db2.gz LHFKTZHDUVEXOV-TUAOUCFPSA-N 2 2 240.347 0.869 20 0 BCADLP OCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000034994573 343282855 /nfs/dbraw/zinc/28/28/55/343282855.db2.gz PCCZBXDSROGJNK-UHFFFAOYSA-N 2 2 217.272 0.954 20 0 BCADLP CCOC(=O)CC[N@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000310119288 343288458 /nfs/dbraw/zinc/28/84/58/343288458.db2.gz ADSZIIHODCJJAN-NSHDSACASA-N 2 2 246.351 0.184 20 0 BCADLP CCOC(=O)CC[N@@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000310119288 343288460 /nfs/dbraw/zinc/28/84/60/343288460.db2.gz ADSZIIHODCJJAN-NSHDSACASA-N 2 2 246.351 0.184 20 0 BCADLP CCOC(=O)CC[NH+](C)C[C@@H](O)C[N@H+](C)CC ZINC000310119288 343288461 /nfs/dbraw/zinc/28/84/61/343288461.db2.gz ADSZIIHODCJJAN-NSHDSACASA-N 2 2 246.351 0.184 20 0 BCADLP CCOC(=O)CC[NH+](C)C[C@@H](O)C[N@@H+](C)CC ZINC000310119288 343288463 /nfs/dbraw/zinc/28/84/63/343288463.db2.gz ADSZIIHODCJJAN-NSHDSACASA-N 2 2 246.351 0.184 20 0 BCADLP COCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000069717950 343290031 /nfs/dbraw/zinc/29/00/31/343290031.db2.gz XUPSCWXHTBJIRO-UHFFFAOYSA-N 2 2 212.297 0.222 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[NH2+]1 ZINC000036999308 343330133 /nfs/dbraw/zinc/33/01/33/343330133.db2.gz JOWCBABBCYMHMW-NXEZZACHSA-N 2 2 222.292 0.140 20 0 BCADLP CC[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC000036282033 343313933 /nfs/dbraw/zinc/31/39/33/343313933.db2.gz YUHVQZDGCNTRGP-UHFFFAOYSA-N 2 2 224.308 0.389 20 0 BCADLP CCC[C@@H]([NH3+])C(=O)NCc1[nH+]ccn1C ZINC000070854941 343338678 /nfs/dbraw/zinc/33/86/78/343338678.db2.gz WYEUWCWXOMIFOB-MRVPVSSYSA-N 2 2 210.281 0.164 20 0 BCADLP CCC[C@](C)([NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000037621446 343349858 /nfs/dbraw/zinc/34/98/58/343349858.db2.gz GTUHIDNHMNFGLN-LBPRGKRZSA-N 2 2 238.335 0.907 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000335677354 136319230 /nfs/dbraw/zinc/31/92/30/136319230.db2.gz LMJACIZRSHUQJC-MNOVXSKESA-N 2 2 222.336 0.947 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000335677354 136319231 /nfs/dbraw/zinc/31/92/31/136319231.db2.gz LMJACIZRSHUQJC-MNOVXSKESA-N 2 2 222.336 0.947 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)c[nH+]1 ZINC000335658776 136307283 /nfs/dbraw/zinc/30/72/83/136307283.db2.gz XNLUQOINVSHAQZ-APPZFPTMSA-N 2 2 222.292 0.446 20 0 BCADLP Cc1cc[nH+]cc1Cn1cc(COCC[NH3+])nn1 ZINC000641071025 362181140 /nfs/dbraw/zinc/18/11/40/362181140.db2.gz UTYMLIANXCKDIN-UHFFFAOYSA-N 2 2 247.302 0.505 20 0 BCADLP CC(C)C[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000041051012 343414235 /nfs/dbraw/zinc/41/42/35/343414235.db2.gz ZQGWFZXBTHYSAL-JTQLQIEISA-N 2 2 224.308 0.373 20 0 BCADLP CCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000082419916 343440730 /nfs/dbraw/zinc/44/07/30/343440730.db2.gz LXTXLROFABQGEM-NXEZZACHSA-N 2 2 214.309 0.479 20 0 BCADLP CCOC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000082419916 343440731 /nfs/dbraw/zinc/44/07/31/343440731.db2.gz LXTXLROFABQGEM-NXEZZACHSA-N 2 2 214.309 0.479 20 0 BCADLP Cn1cncc1C[NH2+]CCn1cc[nH+]c1 ZINC000082393913 343440779 /nfs/dbraw/zinc/44/07/79/343440779.db2.gz RORQAFHXESBEFJ-UHFFFAOYSA-N 2 2 205.265 0.406 20 0 BCADLP Cc1cc(Cn2cc(CCC[NH3+])nn2)cc[nH+]1 ZINC000641087606 362210525 /nfs/dbraw/zinc/21/05/25/362210525.db2.gz AUGDEEXGKNWTFS-UHFFFAOYSA-N 2 2 231.303 0.921 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000042170021 343430527 /nfs/dbraw/zinc/43/05/27/343430527.db2.gz ZDCABGULUUJKFY-JTQLQIEISA-N 2 2 236.319 0.521 20 0 BCADLP C[NH2+][C@H](C)c1cn(Cc2[nH]c(C)c(C)[nH+]2)nn1 ZINC000641156764 362241290 /nfs/dbraw/zinc/24/12/90/362241290.db2.gz WCAOJAMEIHLIJR-SECBINFHSA-N 2 2 234.307 0.947 20 0 BCADLP CC[NH+](CC)CCOCC[NH2+]Cc1ccn[nH]1 ZINC000350267000 136357272 /nfs/dbraw/zinc/35/72/72/136357272.db2.gz NGRIVPRHRCTNKG-UHFFFAOYSA-N 2 2 240.351 0.858 20 0 BCADLP CCC[N@H+](C)CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351110418 136367825 /nfs/dbraw/zinc/36/78/25/136367825.db2.gz CIVSWHFZXVPPQS-SRVKXCTJSA-N 2 2 239.363 0.524 20 0 BCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351110418 136367826 /nfs/dbraw/zinc/36/78/26/136367826.db2.gz CIVSWHFZXVPPQS-SRVKXCTJSA-N 2 2 239.363 0.524 20 0 BCADLP COc1ccc(C)cc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000258966187 136374001 /nfs/dbraw/zinc/37/40/01/136374001.db2.gz LEBPNAOHCXNAEO-LBPRGKRZSA-N 2 2 238.331 0.755 20 0 BCADLP COc1ccc(C)cc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000258966187 136374002 /nfs/dbraw/zinc/37/40/02/136374002.db2.gz LEBPNAOHCXNAEO-LBPRGKRZSA-N 2 2 238.331 0.755 20 0 BCADLP C[C@@H](CNC(=O)C(C)(C)c1c[nH]c[nH+]1)[NH+](C)C ZINC000616488989 343475170 /nfs/dbraw/zinc/47/51/70/343475170.db2.gz HHZVUGCKBWVYOA-VIFPVBQESA-N 2 2 238.335 0.754 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cnn(C)c1 ZINC000310442273 343496826 /nfs/dbraw/zinc/49/68/26/343496826.db2.gz WCTTUXRNAPDSAM-PWSUYJOCSA-N 2 2 240.351 0.383 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cnn(C)c1 ZINC000310442273 343496827 /nfs/dbraw/zinc/49/68/27/343496827.db2.gz WCTTUXRNAPDSAM-PWSUYJOCSA-N 2 2 240.351 0.383 20 0 BCADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cnn(C)c1 ZINC000044500286 343504396 /nfs/dbraw/zinc/50/43/96/343504396.db2.gz CFCSFOMMVGCXJI-SNVBAGLBSA-N 2 2 219.292 0.967 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC1C[NH+](C)C1 ZINC000618190692 343557169 /nfs/dbraw/zinc/55/71/69/343557169.db2.gz CSOWEGNVDPGVNP-UHFFFAOYSA-N 2 2 236.319 0.281 20 0 BCADLP CN(CC1C[NH+](C)C1)C(=O)CCc1[nH]cc[nH+]1 ZINC000618191186 343562004 /nfs/dbraw/zinc/56/20/04/343562004.db2.gz XBBVUJQUIFWSRT-UHFFFAOYSA-N 2 2 236.319 0.362 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H](CO)C(C)C)C1 ZINC000379981172 365778509 /nfs/dbraw/zinc/77/85/09/365778509.db2.gz HKUZTDARPHTVNB-IJLUTSLNSA-N 2 2 214.353 0.933 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H](CO)C(C)C)C1 ZINC000379981172 365778514 /nfs/dbraw/zinc/77/85/14/365778514.db2.gz HKUZTDARPHTVNB-IJLUTSLNSA-N 2 2 214.353 0.933 20 0 BCADLP C[NH2+][C@H](C)c1cn(Cc2ccc[nH+]c2N)nn1 ZINC000641165325 362248399 /nfs/dbraw/zinc/24/83/99/362248399.db2.gz BFWDTUYRDABFCF-MRVPVSSYSA-N 2 2 232.291 0.584 20 0 BCADLP CC(C)C[N@H+](CC(N)=O)Cc1cc[nH+]c(N)c1 ZINC000052726299 343638192 /nfs/dbraw/zinc/63/81/92/343638192.db2.gz VEBBULGSJBYYRJ-UHFFFAOYSA-N 2 2 236.319 0.607 20 0 BCADLP CC(C)C[N@@H+](CC(N)=O)Cc1cc[nH+]c(N)c1 ZINC000052726299 343638195 /nfs/dbraw/zinc/63/81/95/343638195.db2.gz VEBBULGSJBYYRJ-UHFFFAOYSA-N 2 2 236.319 0.607 20 0 BCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)/C=C/c3[nH]cc[nH+]3)C[C@@H]21 ZINC000493122013 529797247 /nfs/dbraw/zinc/79/72/47/529797247.db2.gz SRTGGKWZJUQMBM-NTYHVHHESA-N 2 2 246.314 0.585 20 0 BCADLP C[N@H+]1CC[C@@H]2CN(C(=O)/C=C/c3[nH]cc[nH+]3)C[C@@H]21 ZINC000493122013 529797248 /nfs/dbraw/zinc/79/72/48/529797248.db2.gz SRTGGKWZJUQMBM-NTYHVHHESA-N 2 2 246.314 0.585 20 0 BCADLP Cc1cnn(CC[N@@H+]2CCc3[nH+]c[nH]c3C2)c1 ZINC000625434541 343735173 /nfs/dbraw/zinc/73/51/73/343735173.db2.gz ADZPEBXDFZWKEO-UHFFFAOYSA-N 2 2 231.303 0.973 20 0 BCADLP Cc1cnn(CC[N@H+]2CCc3[nH+]c[nH]c3C2)c1 ZINC000625434541 343735176 /nfs/dbraw/zinc/73/51/76/343735176.db2.gz ADZPEBXDFZWKEO-UHFFFAOYSA-N 2 2 231.303 0.973 20 0 BCADLP CCNC(=O)CC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625438491 343740114 /nfs/dbraw/zinc/74/01/14/343740114.db2.gz UVKHDIVLZWYIRB-UHFFFAOYSA-N 2 2 222.292 0.294 20 0 BCADLP CCNC(=O)CC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625438491 343740116 /nfs/dbraw/zinc/74/01/16/343740116.db2.gz UVKHDIVLZWYIRB-UHFFFAOYSA-N 2 2 222.292 0.294 20 0 BCADLP Cn1cc(CC[N@@H+]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000625437444 343740189 /nfs/dbraw/zinc/74/01/89/343740189.db2.gz RMCUHDQSRIRLDY-UHFFFAOYSA-N 2 2 231.303 0.744 20 0 BCADLP Cn1cc(CC[N@H+]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000625437444 343740190 /nfs/dbraw/zinc/74/01/90/343740190.db2.gz RMCUHDQSRIRLDY-UHFFFAOYSA-N 2 2 231.303 0.744 20 0 BCADLP COC1CCC([NH2+]CC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000624336798 343719209 /nfs/dbraw/zinc/71/92/09/343719209.db2.gz AIZKTQKHJRSYLP-CPCZMJQVSA-N 2 2 242.363 0.600 20 0 BCADLP COC1CCC([NH2+]CC[N@H+]2CC[C@H](O)C2)CC1 ZINC000624336798 343719211 /nfs/dbraw/zinc/71/92/11/343719211.db2.gz AIZKTQKHJRSYLP-CPCZMJQVSA-N 2 2 242.363 0.600 20 0 BCADLP COC(=O)c1cc(C[NH2+][C@H]2CC[NH2+]C2)c[nH]1 ZINC000584183625 343770869 /nfs/dbraw/zinc/77/08/69/343770869.db2.gz PCCJPDJOWZZDEX-VIFPVBQESA-N 2 2 223.276 0.253 20 0 BCADLP COC(=O)[C@H]1CC12CC[NH+](C[C@H](C)[NH3+])CC2 ZINC000584113773 343759555 /nfs/dbraw/zinc/75/95/55/343759555.db2.gz HDQNPZQYTQMAIO-VHSXEESVSA-N 2 2 226.320 0.609 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC12CCC2 ZINC000584121785 343762717 /nfs/dbraw/zinc/76/27/17/343762717.db2.gz XVIZUCHRDSUXHL-LLVKDONJSA-N 2 2 212.337 0.927 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC12CCC2 ZINC000584121785 343762719 /nfs/dbraw/zinc/76/27/19/343762719.db2.gz XVIZUCHRDSUXHL-LLVKDONJSA-N 2 2 212.337 0.927 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC12CCC2 ZINC000584121785 343762720 /nfs/dbraw/zinc/76/27/20/343762720.db2.gz XVIZUCHRDSUXHL-LLVKDONJSA-N 2 2 212.337 0.927 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC12CCC2 ZINC000584121785 343762723 /nfs/dbraw/zinc/76/27/23/343762723.db2.gz XVIZUCHRDSUXHL-LLVKDONJSA-N 2 2 212.337 0.927 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000065511537 349861465 /nfs/dbraw/zinc/86/14/65/349861465.db2.gz ZGIQUDIPZSJCMB-ZDUSSCGKSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000065511537 349861468 /nfs/dbraw/zinc/86/14/68/349861468.db2.gz ZGIQUDIPZSJCMB-ZDUSSCGKSA-N 2 2 244.379 0.657 20 0 BCADLP CC(C)C[N@H+](CCn1cc[nH+]c1)CC(N)=O ZINC000179451533 346985668 /nfs/dbraw/zinc/98/56/68/346985668.db2.gz PBKRNSCMQMKMJQ-UHFFFAOYSA-N 2 2 224.308 0.326 20 0 BCADLP CC(C)C[N@@H+](CCn1cc[nH+]c1)CC(N)=O ZINC000179451533 346985670 /nfs/dbraw/zinc/98/56/70/346985670.db2.gz PBKRNSCMQMKMJQ-UHFFFAOYSA-N 2 2 224.308 0.326 20 0 BCADLP CN(CC[NH+]1CCCC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493579843 529907593 /nfs/dbraw/zinc/90/75/93/529907593.db2.gz BOBCSLCCIZNNHQ-SNAWJCMRSA-N 2 2 248.330 0.977 20 0 BCADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1COC[C@H]1O ZINC000512200175 529930414 /nfs/dbraw/zinc/93/04/14/529930414.db2.gz WQXAKHSPXITLRC-QJPTWQEYSA-N 2 2 228.336 0.162 20 0 BCADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1COC[C@H]1O ZINC000512200175 529930415 /nfs/dbraw/zinc/93/04/15/529930415.db2.gz WQXAKHSPXITLRC-QJPTWQEYSA-N 2 2 228.336 0.162 20 0 BCADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H]1COC[C@H]1O ZINC000512200175 529930417 /nfs/dbraw/zinc/93/04/17/529930417.db2.gz WQXAKHSPXITLRC-QJPTWQEYSA-N 2 2 228.336 0.162 20 0 BCADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H]1COC[C@H]1O ZINC000512200175 529930419 /nfs/dbraw/zinc/93/04/19/529930419.db2.gz WQXAKHSPXITLRC-QJPTWQEYSA-N 2 2 228.336 0.162 20 0 BCADLP CN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1)C1CC1 ZINC000621782533 343906116 /nfs/dbraw/zinc/90/61/16/343906116.db2.gz QDOXPOPWATVSOJ-GXFFZTMASA-N 2 2 237.347 0.420 20 0 BCADLP CN(C(=O)C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1)C1CC1 ZINC000621782533 343906117 /nfs/dbraw/zinc/90/61/17/343906117.db2.gz QDOXPOPWATVSOJ-GXFFZTMASA-N 2 2 237.347 0.420 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621785065 343908035 /nfs/dbraw/zinc/90/80/35/343908035.db2.gz YVCDSLDOAUVNTJ-FXPVBKGRSA-N 2 2 211.309 0.064 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621785065 343908038 /nfs/dbraw/zinc/90/80/38/343908038.db2.gz YVCDSLDOAUVNTJ-FXPVBKGRSA-N 2 2 211.309 0.064 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621785067 343908426 /nfs/dbraw/zinc/90/84/26/343908426.db2.gz YVCDSLDOAUVNTJ-KKZNHRDASA-N 2 2 211.309 0.064 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621785067 343908428 /nfs/dbraw/zinc/90/84/28/343908428.db2.gz YVCDSLDOAUVNTJ-KKZNHRDASA-N 2 2 211.309 0.064 20 0 BCADLP c1ccc2c(c1)C[NH+](CCNC1=[NH+]CCCN1)C2 ZINC000624515018 343923506 /nfs/dbraw/zinc/92/35/06/343923506.db2.gz GTVBQNULIUWSHF-UHFFFAOYSA-N 2 2 244.342 0.941 20 0 BCADLP COCC[NH+]1CCN(c2cc[nH+]cc2F)CC1 ZINC000641270332 362339924 /nfs/dbraw/zinc/33/99/24/362339924.db2.gz KEMPQURWTNGHCR-UHFFFAOYSA-N 2 2 239.294 0.989 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC1 ZINC000570693371 323067444 /nfs/dbraw/zinc/06/74/44/323067444.db2.gz CMRLMNHIBVFXES-GFCCVEGCSA-N 2 2 239.363 0.491 20 0 BCADLP Cn1cc[nH+]c1CN[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634733702 344113955 /nfs/dbraw/zinc/11/39/55/344113955.db2.gz LOFCNQPNMGBYFN-PWSUYJOCSA-N 2 2 220.320 0.652 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C1CC1)C1CC1 ZINC000625841583 344093134 /nfs/dbraw/zinc/09/31/34/344093134.db2.gz NTJCGFPZKAVBFS-ZDUSSCGKSA-N 2 2 242.363 0.552 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C1CC1)C1CC1 ZINC000625841583 344093137 /nfs/dbraw/zinc/09/31/37/344093137.db2.gz NTJCGFPZKAVBFS-ZDUSSCGKSA-N 2 2 242.363 0.552 20 0 BCADLP CC[C@@H]([NH3+])C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000130292658 344129680 /nfs/dbraw/zinc/12/96/80/344129680.db2.gz WQGHJTMINYEMDM-LLVKDONJSA-N 2 2 246.314 0.730 20 0 BCADLP CC[C@@H]([NH3+])C(=O)NCc1ccc[nH+]c1N(C)C ZINC000130329618 344130792 /nfs/dbraw/zinc/13/07/92/344130792.db2.gz QNVYPLWUEGPMNG-SNVBAGLBSA-N 2 2 236.319 0.501 20 0 BCADLP FC(F)(F)COCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000088372928 344239793 /nfs/dbraw/zinc/23/97/93/344239793.db2.gz XVIJRQNNJIVRBR-IUCAKERBSA-N 2 2 238.253 0.717 20 0 BCADLP Cc1cc(NC(=O)N[C@@H]2CC[NH2+][C@H]2C)cc[nH+]1 ZINC000625874146 344275862 /nfs/dbraw/zinc/27/58/62/344275862.db2.gz UJUQAVAFKHHLCJ-GXSJLCMTSA-N 2 2 234.303 0.684 20 0 BCADLP C[NH2+]Cc1noc(C[C@@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000570800431 323071024 /nfs/dbraw/zinc/07/10/24/323071024.db2.gz OTPDCCIRUSROEQ-ZJUUUORDSA-N 2 2 238.335 0.967 20 0 BCADLP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492858437 529969795 /nfs/dbraw/zinc/96/97/95/529969795.db2.gz LHSHUPURVDPTDH-BYCRGOAPSA-N 2 2 248.330 0.833 20 0 BCADLP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492858437 529969797 /nfs/dbraw/zinc/96/97/97/529969797.db2.gz LHSHUPURVDPTDH-BYCRGOAPSA-N 2 2 248.330 0.833 20 0 BCADLP c1cn(-c2cc(N3CCC[NH2+]CC3)ncn2)c[nH+]1 ZINC000634807455 344392325 /nfs/dbraw/zinc/39/23/25/344392325.db2.gz NAINWQCVXFWKSO-UHFFFAOYSA-N 2 2 244.302 0.462 20 0 BCADLP Cc1nc2[nH]ccc2c(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[nH+]1 ZINC000634810265 344394955 /nfs/dbraw/zinc/39/49/55/344394955.db2.gz REQARMNAMFYXPB-MYJAWHEDSA-N 2 2 229.287 0.896 20 0 BCADLP COc1c(C)[nH+]cnc1N[C@@H]1CC[NH2+][C@H]1C ZINC000634812432 344396918 /nfs/dbraw/zinc/39/69/18/344396918.db2.gz IDCOZQLMSUJVQT-IONNQARKSA-N 2 2 222.292 0.956 20 0 BCADLP CNC(=O)CC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000381460332 344509457 /nfs/dbraw/zinc/50/94/57/344509457.db2.gz KXDSNZSXTQKTGZ-LLVKDONJSA-N 2 2 227.352 0.585 20 0 BCADLP CNC(=O)CC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000381460332 344509459 /nfs/dbraw/zinc/50/94/59/344509459.db2.gz KXDSNZSXTQKTGZ-LLVKDONJSA-N 2 2 227.352 0.585 20 0 BCADLP CC[N@@H+]1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000104954276 344462803 /nfs/dbraw/zinc/46/28/03/344462803.db2.gz VMVJOGIVHSVWPX-UHFFFAOYSA-N 2 2 222.336 0.948 20 0 BCADLP CC[N@H+]1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000104954276 344462806 /nfs/dbraw/zinc/46/28/06/344462806.db2.gz VMVJOGIVHSVWPX-UHFFFAOYSA-N 2 2 222.336 0.948 20 0 BCADLP Cc1ccncc1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000381173663 344482500 /nfs/dbraw/zinc/48/25/00/344482500.db2.gz MSNLBGQMSBDUCO-CQSZACIVSA-N 2 2 249.358 0.935 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000043326970 344488595 /nfs/dbraw/zinc/48/85/95/344488595.db2.gz RIEYPQRWNYHUOH-MNOVXSKESA-N 2 2 208.309 0.613 20 0 BCADLP C[C@H](Nc1cc[nH+]cc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000641449059 362423100 /nfs/dbraw/zinc/42/31/00/362423100.db2.gz IUGHVMFEPXPQJG-CABZTGNLSA-N 2 2 239.294 0.774 20 0 BCADLP C[C@H](Nc1cc[nH+]cc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000641449059 362423104 /nfs/dbraw/zinc/42/31/04/362423104.db2.gz IUGHVMFEPXPQJG-CABZTGNLSA-N 2 2 239.294 0.774 20 0 BCADLP C[NH+](C)C[C@](C)(O)CNc1cc(CO)cc[nH+]1 ZINC000641458845 362431690 /nfs/dbraw/zinc/43/16/90/362431690.db2.gz LBKBVUSUQSDLQP-GFCCVEGCSA-N 2 2 239.319 0.298 20 0 BCADLP C[C@@H]1C[N@H+](CCN2CC[C@H]([NH3+])[C@@H](C)C2)CCO1 ZINC000573966912 344578641 /nfs/dbraw/zinc/57/86/41/344578641.db2.gz AHBBVKDOHBXBGF-XQQFMLRXSA-N 2 2 241.379 0.376 20 0 BCADLP C[C@@H]1C[N@@H+](CCN2CC[C@H]([NH3+])[C@@H](C)C2)CCO1 ZINC000573966912 344578644 /nfs/dbraw/zinc/57/86/44/344578644.db2.gz AHBBVKDOHBXBGF-XQQFMLRXSA-N 2 2 241.379 0.376 20 0 BCADLP CC(C)OCC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000574033947 344604490 /nfs/dbraw/zinc/60/44/90/344604490.db2.gz VFLILBLTRUMVOG-CHWSQXEVSA-N 2 2 244.379 0.846 20 0 BCADLP CC(C)OCC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000574033947 344604492 /nfs/dbraw/zinc/60/44/92/344604492.db2.gz VFLILBLTRUMVOG-CHWSQXEVSA-N 2 2 244.379 0.846 20 0 BCADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1nccn1C ZINC000049557634 344653445 /nfs/dbraw/zinc/65/34/45/344653445.db2.gz WUMQIHZLDIRLPG-SNVBAGLBSA-N 2 2 210.325 0.850 20 0 BCADLP C[C@H](CC[NH+](C)C)NCc1[nH+]ccn1C ZINC000049557634 344653446 /nfs/dbraw/zinc/65/34/46/344653446.db2.gz WUMQIHZLDIRLPG-SNVBAGLBSA-N 2 2 210.325 0.850 20 0 BCADLP FCC[C@@H]1C[N@H+](CCn2cc[nH+]c2)CCO1 ZINC000626004151 344666363 /nfs/dbraw/zinc/66/63/63/344666363.db2.gz ADRCXEBTLIRQHR-LLVKDONJSA-N 2 2 227.283 0.944 20 0 BCADLP FCC[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CCO1 ZINC000626004151 344666365 /nfs/dbraw/zinc/66/63/65/344666365.db2.gz ADRCXEBTLIRQHR-LLVKDONJSA-N 2 2 227.283 0.944 20 0 BCADLP CC[NH+]1CCC([NH2+]Cc2ccn(C)n2)CC1 ZINC000112339060 344642576 /nfs/dbraw/zinc/64/25/76/344642576.db2.gz LFPFVLQWPLDNKR-UHFFFAOYSA-N 2 2 222.336 0.994 20 0 BCADLP CC[N@@H+]1CCC[C@H]1CNCc1[nH]cc[nH+]1 ZINC000049714586 344683191 /nfs/dbraw/zinc/68/31/91/344683191.db2.gz FZJINWLTDNBNIK-JTQLQIEISA-N 2 2 208.309 0.984 20 0 BCADLP CC[N@H+]1CCC[C@H]1CNCc1[nH]cc[nH+]1 ZINC000049714586 344683192 /nfs/dbraw/zinc/68/31/92/344683192.db2.gz FZJINWLTDNBNIK-JTQLQIEISA-N 2 2 208.309 0.984 20 0 BCADLP C[NH+]1CCC(CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492807034 530049089 /nfs/dbraw/zinc/04/90/89/530049089.db2.gz ATVQXIISCLUUOR-NSCUHMNNSA-N 2 2 248.330 0.881 20 0 BCADLP C[N@@H+]1CCC[C@@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493563791 530054925 /nfs/dbraw/zinc/05/49/25/530054925.db2.gz WCCORLZUDKAEOO-ZWNMCFTASA-N 2 2 248.330 0.881 20 0 BCADLP C[N@H+]1CCC[C@@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493563791 530054926 /nfs/dbraw/zinc/05/49/26/530054926.db2.gz WCCORLZUDKAEOO-ZWNMCFTASA-N 2 2 248.330 0.881 20 0 BCADLP CC[C@H](COC)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000153328032 344852576 /nfs/dbraw/zinc/85/25/76/344852576.db2.gz BGIWGXHBNJKORW-QWHCGFSZSA-N 2 2 244.379 0.969 20 0 BCADLP Cc1[nH]c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)[nH+]c1C ZINC000628191874 344945574 /nfs/dbraw/zinc/94/55/74/344945574.db2.gz YBQKEGYCHWGUCL-GHMZBOCLSA-N 2 2 220.320 0.678 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000154302840 345026159 /nfs/dbraw/zinc/02/61/59/345026159.db2.gz XXNMEYNELWPRSA-NDBYEHHHSA-N 3 2 243.395 0.227 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000154302840 345026161 /nfs/dbraw/zinc/02/61/61/345026161.db2.gz XXNMEYNELWPRSA-NDBYEHHHSA-N 3 2 243.395 0.227 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000634991300 345174132 /nfs/dbraw/zinc/17/41/32/345174132.db2.gz YHWXBCJHVUYWMO-QJPTWQEYSA-N 3 2 213.369 0.886 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000634991300 345174134 /nfs/dbraw/zinc/17/41/34/345174134.db2.gz YHWXBCJHVUYWMO-QJPTWQEYSA-N 3 2 213.369 0.886 20 0 BCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634994797 345182333 /nfs/dbraw/zinc/18/23/33/345182333.db2.gz MVKFXSBPQBODMB-YKLYVNGCSA-N 2 2 249.358 0.324 20 0 BCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634994797 345182335 /nfs/dbraw/zinc/18/23/35/345182335.db2.gz MVKFXSBPQBODMB-YKLYVNGCSA-N 2 2 249.358 0.324 20 0 BCADLP CC(C)[C@@H]([NH3+])C[NH2+]C[C@H](C[NH3+])C(C)C ZINC000634995132 345183381 /nfs/dbraw/zinc/18/33/81/345183381.db2.gz VWPAKBCBMJNOQP-QWRGUYRKSA-N 3 2 201.358 0.790 20 0 BCADLP COCCO[C@@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634995268 345184334 /nfs/dbraw/zinc/18/43/34/345184334.db2.gz ZHYGBQZCCBENBU-OTTFEQOBSA-N 2 2 240.347 0.476 20 0 BCADLP COCCO[C@@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634995268 345184337 /nfs/dbraw/zinc/18/43/37/345184337.db2.gz ZHYGBQZCCBENBU-OTTFEQOBSA-N 2 2 240.347 0.476 20 0 BCADLP C[C@]1(C[NH2+]CC23CC(C2)C[NH2+]3)CCC[NH2+]C1 ZINC000634995766 345185276 /nfs/dbraw/zinc/18/52/76/345185276.db2.gz OILKTODUXXWIAS-CPCZMJQVSA-N 3 2 223.364 0.718 20 0 BCADLP CC(C)N1CC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1=O ZINC000634995786 345186211 /nfs/dbraw/zinc/18/62/11/345186211.db2.gz OWAJEYWOLPXQRH-QWKFWESOSA-N 2 2 237.347 0.337 20 0 BCADLP C[C@@H](C[NH2+][C@@H]1CCNC(=O)CC1)[NH+](C)C ZINC000634959237 345132958 /nfs/dbraw/zinc/13/29/58/345132958.db2.gz LOAIKDNEKDQXAI-UWVGGRQHSA-N 2 2 213.325 0.195 20 0 BCADLP OCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156386162 345151764 /nfs/dbraw/zinc/15/17/64/345151764.db2.gz XLGCSEPYNSGVHR-LLVKDONJSA-N 2 2 208.261 0.527 20 0 BCADLP OCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156386162 345151767 /nfs/dbraw/zinc/15/17/67/345151767.db2.gz XLGCSEPYNSGVHR-LLVKDONJSA-N 2 2 208.261 0.527 20 0 BCADLP CCc1c[nH]c(CC(=O)N2CC[NH+](C)CC2)[nH+]1 ZINC000635057389 345231547 /nfs/dbraw/zinc/23/15/47/345231547.db2.gz VHPDWPNGZPRJSN-UHFFFAOYSA-N 2 2 236.319 0.289 20 0 BCADLP Cn1c[nH+]cc1C[NH2+][C@H]1CCCN(C)C1=O ZINC000381289604 345246214 /nfs/dbraw/zinc/24/62/14/345246214.db2.gz CSJFTHGPLMBNLI-JTQLQIEISA-N 2 2 222.292 0.131 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227072310 345246688 /nfs/dbraw/zinc/24/66/88/345246688.db2.gz TUVXXETZLKMPMK-WDEREUQCSA-N 2 2 227.352 0.428 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227072310 345246692 /nfs/dbraw/zinc/24/66/92/345246692.db2.gz TUVXXETZLKMPMK-WDEREUQCSA-N 2 2 227.352 0.428 20 0 BCADLP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000634997887 345202822 /nfs/dbraw/zinc/20/28/22/345202822.db2.gz VLAYDZFDBOSTOO-IJLUTSLNSA-N 3 2 213.369 0.947 20 0 BCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH+](C)C ZINC000635255226 345288782 /nfs/dbraw/zinc/28/87/82/345288782.db2.gz NTVTUQHLSONNSE-IVZWLZJFSA-N 2 2 236.319 0.580 20 0 BCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH+](C)C ZINC000635255226 345288786 /nfs/dbraw/zinc/28/87/86/345288786.db2.gz NTVTUQHLSONNSE-IVZWLZJFSA-N 2 2 236.319 0.580 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)CCOCC(F)(F)F ZINC000158508152 345341886 /nfs/dbraw/zinc/34/18/86/345341886.db2.gz JHTPIWWNBCZFQK-SSDOTTSWSA-N 2 2 214.231 0.844 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)CCOCC(F)(F)F ZINC000158508152 345341887 /nfs/dbraw/zinc/34/18/87/345341887.db2.gz JHTPIWWNBCZFQK-SSDOTTSWSA-N 2 2 214.231 0.844 20 0 BCADLP CCC(CC)(C[NH3+])C(=O)NCCc1[nH]cc[nH+]1 ZINC000159421103 345432639 /nfs/dbraw/zinc/43/26/39/345432639.db2.gz DTVCDGHGXDHBPS-UHFFFAOYSA-N 2 2 238.335 0.834 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)C12CCC[NH+](CCC1)C2 ZINC000635549642 345604787 /nfs/dbraw/zinc/60/47/87/345604787.db2.gz BITWGQDBNNQTCT-UHFFFAOYSA-N 2 2 248.330 0.902 20 0 BCADLP CC(C)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093168570 345658396 /nfs/dbraw/zinc/65/83/96/345658396.db2.gz DIKPLVAYAGESNC-UHFFFAOYSA-N 2 2 227.352 0.348 20 0 BCADLP CC(C)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093168570 345658399 /nfs/dbraw/zinc/65/83/99/345658399.db2.gz DIKPLVAYAGESNC-UHFFFAOYSA-N 2 2 227.352 0.348 20 0 BCADLP C[NH+]1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000117070729 345678358 /nfs/dbraw/zinc/67/83/58/345678358.db2.gz QXHFUMYGDJNRJO-UHFFFAOYSA-N 2 2 247.346 0.829 20 0 BCADLP C[N@@H+]1CCN(C(=O)CCC2CC2)[C@H](C[NH3+])C1 ZINC000400792635 345795643 /nfs/dbraw/zinc/79/56/43/345795643.db2.gz ACQAIVUQMSUWPZ-LLVKDONJSA-N 2 2 225.336 0.278 20 0 BCADLP C[N@H+]1CCN(C(=O)CCC2CC2)[C@H](C[NH3+])C1 ZINC000400792635 345795646 /nfs/dbraw/zinc/79/56/46/345795646.db2.gz ACQAIVUQMSUWPZ-LLVKDONJSA-N 2 2 225.336 0.278 20 0 BCADLP C[NH+](C)CC1(C(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000635591015 345884181 /nfs/dbraw/zinc/88/41/81/345884181.db2.gz ZEVILZMWCCYXNE-UHFFFAOYSA-N 2 2 222.292 0.368 20 0 BCADLP C[NH+](C)CC1(C(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000635591015 345884182 /nfs/dbraw/zinc/88/41/82/345884182.db2.gz ZEVILZMWCCYXNE-UHFFFAOYSA-N 2 2 222.292 0.368 20 0 BCADLP C[N@@H+]1CC[C@H](CC(=O)NCc2c[nH+]c[nH]2)C1 ZINC000635589898 345884207 /nfs/dbraw/zinc/88/42/07/345884207.db2.gz RPCYFIWCDUIKDK-SECBINFHSA-N 2 2 222.292 0.368 20 0 BCADLP C[N@H+]1CC[C@H](CC(=O)NCc2c[nH+]c[nH]2)C1 ZINC000635589898 345884209 /nfs/dbraw/zinc/88/42/09/345884209.db2.gz RPCYFIWCDUIKDK-SECBINFHSA-N 2 2 222.292 0.368 20 0 BCADLP C[N@@H+]1CC[C@H](CC(=O)NCc2c[nH]c[nH+]2)C1 ZINC000635589898 345884210 /nfs/dbraw/zinc/88/42/10/345884210.db2.gz RPCYFIWCDUIKDK-SECBINFHSA-N 2 2 222.292 0.368 20 0 BCADLP C[N@H+]1CC[C@H](CC(=O)NCc2c[nH]c[nH+]2)C1 ZINC000635589898 345884212 /nfs/dbraw/zinc/88/42/12/345884212.db2.gz RPCYFIWCDUIKDK-SECBINFHSA-N 2 2 222.292 0.368 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635638467 345912809 /nfs/dbraw/zinc/91/28/09/345912809.db2.gz SZDNGCCZZLYSHG-JTQLQIEISA-N 2 2 236.319 0.676 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635638467 345912812 /nfs/dbraw/zinc/91/28/12/345912812.db2.gz SZDNGCCZZLYSHG-JTQLQIEISA-N 2 2 236.319 0.676 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635638468 345913018 /nfs/dbraw/zinc/91/30/18/345913018.db2.gz SZDNGCCZZLYSHG-SNVBAGLBSA-N 2 2 236.319 0.676 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635638468 345913019 /nfs/dbraw/zinc/91/30/19/345913019.db2.gz SZDNGCCZZLYSHG-SNVBAGLBSA-N 2 2 236.319 0.676 20 0 BCADLP CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662935732 537935427 /nfs/dbraw/zinc/93/54/27/537935427.db2.gz YQGNDTUDSKXRCM-ZJUUUORDSA-N 2 2 238.335 0.971 20 0 BCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCC1 ZINC000635725764 346038132 /nfs/dbraw/zinc/03/81/32/346038132.db2.gz YBERGLSMUPMYAZ-NSHDSACASA-N 2 2 225.336 0.293 20 0 BCADLP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCC1 ZINC000635725764 346038134 /nfs/dbraw/zinc/03/81/34/346038134.db2.gz YBERGLSMUPMYAZ-NSHDSACASA-N 2 2 225.336 0.293 20 0 BCADLP CCC[NH2+][C@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662935706 537935117 /nfs/dbraw/zinc/93/51/17/537935117.db2.gz XZOOAYHIKASPFJ-VHSXEESVSA-N 2 2 238.335 0.985 20 0 BCADLP C[C@H](C(=O)NCC[N@H+]1CC=CCC1)[NH+](C)C ZINC000635877791 346096729 /nfs/dbraw/zinc/09/67/29/346096729.db2.gz OESKPDOOPGJJFV-LLVKDONJSA-N 2 2 225.336 0.315 20 0 BCADLP C[C@H](C(=O)NCC[N@@H+]1CC=CCC1)[NH+](C)C ZINC000635877791 346096731 /nfs/dbraw/zinc/09/67/31/346096731.db2.gz OESKPDOOPGJJFV-LLVKDONJSA-N 2 2 225.336 0.315 20 0 BCADLP C[C@H](C(=O)N[C@H]1CCc2c[nH+]cn2C1)[NH+](C)C ZINC000635917382 346108842 /nfs/dbraw/zinc/10/88/42/346108842.db2.gz AWRSGFDDHWBGTJ-ZJUUUORDSA-N 2 2 236.319 0.264 20 0 BCADLP C[N@@H+]1CC[C@@H](CC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000635945246 346118946 /nfs/dbraw/zinc/11/89/46/346118946.db2.gz OZNJRIZKSMSKEN-NSHDSACASA-N 2 2 248.330 0.567 20 0 BCADLP C[N@H+]1CC[C@@H](CC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000635945246 346118948 /nfs/dbraw/zinc/11/89/48/346118948.db2.gz OZNJRIZKSMSKEN-NSHDSACASA-N 2 2 248.330 0.567 20 0 BCADLP Cc1nc(C)c(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)o1 ZINC000628239621 346200470 /nfs/dbraw/zinc/20/04/70/346200470.db2.gz YQBQLFMSRQYNPV-GFCCVEGCSA-N 2 2 239.319 0.448 20 0 BCADLP Cc1nc(C)c(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)o1 ZINC000628239621 346200473 /nfs/dbraw/zinc/20/04/73/346200473.db2.gz YQBQLFMSRQYNPV-GFCCVEGCSA-N 2 2 239.319 0.448 20 0 BCADLP CCOCC[C@H](O)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000571073815 537972988 /nfs/dbraw/zinc/97/29/88/537972988.db2.gz DDYWKSIUJSHQGF-RYUDHWBXSA-N 2 2 241.335 0.649 20 0 BCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCCC1 ZINC000334178377 346437483 /nfs/dbraw/zinc/43/74/83/346437483.db2.gz AJRPQDDYFVKTQP-VXGBXAGGSA-N 2 2 237.347 0.150 20 0 BCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCCC1 ZINC000334178377 346437486 /nfs/dbraw/zinc/43/74/86/346437486.db2.gz AJRPQDDYFVKTQP-VXGBXAGGSA-N 2 2 237.347 0.150 20 0 BCADLP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)on1 ZINC000641797225 362742773 /nfs/dbraw/zinc/74/27/73/362742773.db2.gz YKDNJBYVACYXGS-QMMMGPOBSA-N 2 2 211.265 0.464 20 0 BCADLP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)on1 ZINC000641797225 362742778 /nfs/dbraw/zinc/74/27/78/362742778.db2.gz YKDNJBYVACYXGS-QMMMGPOBSA-N 2 2 211.265 0.464 20 0 BCADLP COc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)on1 ZINC000641797638 362744755 /nfs/dbraw/zinc/74/47/55/362744755.db2.gz DRTBNNSWOBUPIY-DTORHVGOSA-N 2 2 223.276 0.334 20 0 BCADLP COc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)on1 ZINC000641797638 362744765 /nfs/dbraw/zinc/74/47/65/362744765.db2.gz DRTBNNSWOBUPIY-DTORHVGOSA-N 2 2 223.276 0.334 20 0 BCADLP COc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)on1 ZINC000641798498 362745345 /nfs/dbraw/zinc/74/53/45/362745345.db2.gz NFABBSRXVUVOCH-RKDXNWHRSA-N 2 2 225.292 0.852 20 0 BCADLP COc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)on1 ZINC000641798498 362745352 /nfs/dbraw/zinc/74/53/52/362745352.db2.gz NFABBSRXVUVOCH-RKDXNWHRSA-N 2 2 225.292 0.852 20 0 BCADLP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)on1 ZINC000641799677 362748628 /nfs/dbraw/zinc/74/86/28/362748628.db2.gz ZBPDQCJUFZHECI-IUCAKERBSA-N 2 2 225.292 0.852 20 0 BCADLP COc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)on1 ZINC000641799677 362748635 /nfs/dbraw/zinc/74/86/35/362748635.db2.gz ZBPDQCJUFZHECI-IUCAKERBSA-N 2 2 225.292 0.852 20 0 BCADLP COc1cc(C[NH2+][C@@](C)(C[NH3+])C2CC2)on1 ZINC000641799572 362749038 /nfs/dbraw/zinc/74/90/38/362749038.db2.gz XKYPFDNTBAVFRH-NSHDSACASA-N 2 2 225.292 0.900 20 0 BCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CCc1c[nH+]cn1C ZINC000641799324 362749054 /nfs/dbraw/zinc/74/90/54/362749054.db2.gz UJUQCSCQIKLWJC-GFCCVEGCSA-N 3 2 224.352 0.926 20 0 BCADLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)on1 ZINC000641796950 362740259 /nfs/dbraw/zinc/74/02/59/362740259.db2.gz NKBKTWRHXWJEML-PSASIEDQSA-N 2 2 225.292 0.852 20 0 BCADLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)on1 ZINC000641796950 362740262 /nfs/dbraw/zinc/74/02/62/362740262.db2.gz NKBKTWRHXWJEML-PSASIEDQSA-N 2 2 225.292 0.852 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)C1(C[NH3+])CCC1 ZINC000641800184 362750369 /nfs/dbraw/zinc/75/03/69/362750369.db2.gz YGBZNKYVLKMJJK-UHFFFAOYSA-N 3 2 222.336 0.776 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)C1(C[NH3+])CCC1 ZINC000641800184 362750375 /nfs/dbraw/zinc/75/03/75/362750375.db2.gz YGBZNKYVLKMJJK-UHFFFAOYSA-N 3 2 222.336 0.776 20 0 BCADLP CC(C)[N@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC000577117713 365823839 /nfs/dbraw/zinc/82/38/39/365823839.db2.gz CSKMSFIWOQBZLX-UHFFFAOYSA-N 2 2 238.335 0.730 20 0 BCADLP CC(C)[N@@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC000577117713 365823845 /nfs/dbraw/zinc/82/38/45/365823845.db2.gz CSKMSFIWOQBZLX-UHFFFAOYSA-N 2 2 238.335 0.730 20 0 BCADLP COC[C@@H](C)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000187746395 346605573 /nfs/dbraw/zinc/60/55/73/346605573.db2.gz WATLLXXYBHAMSN-WDEREUQCSA-N 2 2 200.326 0.953 20 0 BCADLP COC[C@@H](C)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000187746395 346605576 /nfs/dbraw/zinc/60/55/76/346605576.db2.gz WATLLXXYBHAMSN-WDEREUQCSA-N 2 2 200.326 0.953 20 0 BCADLP COC[C@H](C)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000187746378 346606148 /nfs/dbraw/zinc/60/61/48/346606148.db2.gz WATLLXXYBHAMSN-MNOVXSKESA-N 2 2 200.326 0.953 20 0 BCADLP COC[C@H](C)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000187746378 346606152 /nfs/dbraw/zinc/60/61/52/346606152.db2.gz WATLLXXYBHAMSN-MNOVXSKESA-N 2 2 200.326 0.953 20 0 BCADLP CC[C@@H]([NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000165238634 346645990 /nfs/dbraw/zinc/64/59/90/346645990.db2.gz LUZCPARBBVBCFU-SNVBAGLBSA-N 2 2 236.319 0.737 20 0 BCADLP Cc1[nH]c(C(=O)NCC[C@H]2CC[NH2+]C2)c[nH+]1 ZINC000580191976 346646631 /nfs/dbraw/zinc/64/66/31/346646631.db2.gz PDTQAVJVQLPGEN-SECBINFHSA-N 2 2 222.292 0.448 20 0 BCADLP COC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000164850230 346629858 /nfs/dbraw/zinc/62/98/58/346629858.db2.gz XSINMRUSWRGOQH-GHMZBOCLSA-N 2 2 226.320 0.623 20 0 BCADLP COC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000164850230 346629863 /nfs/dbraw/zinc/62/98/63/346629863.db2.gz XSINMRUSWRGOQH-GHMZBOCLSA-N 2 2 226.320 0.623 20 0 BCADLP Cc1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)[nH]n1 ZINC000589644356 346724518 /nfs/dbraw/zinc/72/45/18/346724518.db2.gz FMNHNLONAXSNGH-LBPRGKRZSA-N 2 2 238.335 0.264 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@]12CCNC2=O ZINC000577188626 365867437 /nfs/dbraw/zinc/86/74/37/365867437.db2.gz JPKFNLOIDVTHSK-CYBMUJFWSA-N 2 2 248.330 0.317 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@]12CCNC2=O ZINC000577188626 365867439 /nfs/dbraw/zinc/86/74/39/365867439.db2.gz JPKFNLOIDVTHSK-CYBMUJFWSA-N 2 2 248.330 0.317 20 0 BCADLP [NH3+]CC1(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622004033 370654594 /nfs/dbraw/zinc/65/45/94/370654594.db2.gz JFKHMEHWMROVTO-JQWIXIFHSA-N 3 2 209.337 0.539 20 0 BCADLP [NH3+]CC1(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622004033 370654601 /nfs/dbraw/zinc/65/46/01/370654601.db2.gz JFKHMEHWMROVTO-JQWIXIFHSA-N 3 2 209.337 0.539 20 0 BCADLP OCC1([NH2+]Cc2ccns2)CC[NH2+]CC1 ZINC000641819017 362770897 /nfs/dbraw/zinc/77/08/97/362770897.db2.gz FZHHKJVARKHGMF-UHFFFAOYSA-N 2 2 227.333 0.347 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000380205412 346806432 /nfs/dbraw/zinc/80/64/32/346806432.db2.gz FNNNTUMUBWHRCS-BDAKNGLRSA-N 2 2 222.292 0.462 20 0 BCADLP Cn1cc[nH+]c1CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622005163 370657413 /nfs/dbraw/zinc/65/74/13/370657413.db2.gz ZNMGCOLDMPEWGZ-ZYHUDNBSSA-N 2 2 220.320 0.733 20 0 BCADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CC(N)=O ZINC000309953414 347204640 /nfs/dbraw/zinc/20/46/40/347204640.db2.gz HEOCXEGGOFUSAU-GHMZBOCLSA-N 2 2 227.352 0.714 20 0 BCADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CC(N)=O ZINC000309953414 347204644 /nfs/dbraw/zinc/20/46/44/347204644.db2.gz HEOCXEGGOFUSAU-GHMZBOCLSA-N 2 2 227.352 0.714 20 0 BCADLP COC(=O)CC1(C[N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000601328828 347217595 /nfs/dbraw/zinc/21/75/95/347217595.db2.gz AIDZXUKTABLRMA-UWVGGRQHSA-N 2 2 226.320 0.751 20 0 BCADLP COC(=O)CC1(C[N@H+]2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000601328828 347217598 /nfs/dbraw/zinc/21/75/98/347217598.db2.gz AIDZXUKTABLRMA-UWVGGRQHSA-N 2 2 226.320 0.751 20 0 BCADLP CC[NH+]1CCN(C[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000364005843 347232691 /nfs/dbraw/zinc/23/26/91/347232691.db2.gz BNONRJCGVMEWSS-ZDUSSCGKSA-N 2 2 241.379 0.345 20 0 BCADLP CC[NH+]1CCN(C[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000364005843 347232693 /nfs/dbraw/zinc/23/26/93/347232693.db2.gz BNONRJCGVMEWSS-ZDUSSCGKSA-N 2 2 241.379 0.345 20 0 BCADLP CCc1cc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)nc[nH+]1 ZINC000250507567 362807534 /nfs/dbraw/zinc/80/75/34/362807534.db2.gz JTZFHUOXYYPDQD-JZYVYDRUSA-N 2 2 204.277 0.669 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N(C)CC1CC1 ZINC000571340678 323141910 /nfs/dbraw/zinc/14/19/10/323141910.db2.gz JVOLVWNCYSQZBN-PWSUYJOCSA-N 2 2 239.363 0.666 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N(C)CC1CC1 ZINC000571340678 323141911 /nfs/dbraw/zinc/14/19/11/323141911.db2.gz JVOLVWNCYSQZBN-PWSUYJOCSA-N 2 2 239.363 0.666 20 0 BCADLP CO[C@H]1CCN(Cc2c[nH+]cn2C)[C@H](C[NH3+])C1 ZINC000252765807 347416447 /nfs/dbraw/zinc/41/64/47/347416447.db2.gz GTRHJYZXNMXTJR-JQWIXIFHSA-N 2 2 238.335 0.358 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](C[C@H]2CCCCO2)CCO1 ZINC000250815343 362823244 /nfs/dbraw/zinc/82/32/44/362823244.db2.gz FDRYTLVDMZNRCX-MNOVXSKESA-N 2 2 214.309 0.215 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](C[C@H]2CCCCO2)CCO1 ZINC000250815343 362823247 /nfs/dbraw/zinc/82/32/47/362823247.db2.gz FDRYTLVDMZNRCX-MNOVXSKESA-N 2 2 214.309 0.215 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000616925414 347457498 /nfs/dbraw/zinc/45/74/98/347457498.db2.gz GZLSOJKAYHEELK-VIFPVBQESA-N 2 2 222.292 0.320 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000616925414 347457501 /nfs/dbraw/zinc/45/75/01/347457501.db2.gz GZLSOJKAYHEELK-VIFPVBQESA-N 2 2 222.292 0.320 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000616925414 347457506 /nfs/dbraw/zinc/45/75/06/347457506.db2.gz GZLSOJKAYHEELK-VIFPVBQESA-N 2 2 222.292 0.320 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000616925414 347457510 /nfs/dbraw/zinc/45/75/10/347457510.db2.gz GZLSOJKAYHEELK-VIFPVBQESA-N 2 2 222.292 0.320 20 0 BCADLP CO[C@H]1C[C@@H](C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000623822844 347446410 /nfs/dbraw/zinc/44/64/10/347446410.db2.gz BDAOAZNDBLZTIA-WISYIIOYSA-N 2 2 212.337 0.951 20 0 BCADLP CO[C@H]1C[C@@H](C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000623822844 347446414 /nfs/dbraw/zinc/44/64/14/347446414.db2.gz BDAOAZNDBLZTIA-WISYIIOYSA-N 2 2 212.337 0.951 20 0 BCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H](C)C[NH3+] ZINC000357241196 187378261 /nfs/dbraw/zinc/37/82/61/187378261.db2.gz MTLHBQIYJWMADL-SNVBAGLBSA-N 2 2 238.335 0.750 20 0 BCADLP COC(=O)CCC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591447873 347663556 /nfs/dbraw/zinc/66/35/56/347663556.db2.gz BNPKFEIAZYBQMD-MNOVXSKESA-N 2 2 226.320 0.623 20 0 BCADLP COC(=O)CCC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591447873 347663559 /nfs/dbraw/zinc/66/35/59/347663559.db2.gz BNPKFEIAZYBQMD-MNOVXSKESA-N 2 2 226.320 0.623 20 0 BCADLP C[N@@H+]1CC[C@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493183888 347609727 /nfs/dbraw/zinc/60/97/27/347609727.db2.gz FVYDHQQDIIQCMK-VMZHVLLKSA-N 2 2 234.303 0.491 20 0 BCADLP C[N@H+]1CC[C@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493183888 347609729 /nfs/dbraw/zinc/60/97/29/347609729.db2.gz FVYDHQQDIIQCMK-VMZHVLLKSA-N 2 2 234.303 0.491 20 0 BCADLP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000401759866 347761564 /nfs/dbraw/zinc/76/15/64/347761564.db2.gz ULEHBOVGYBHGNY-WDEREUQCSA-N 3 2 222.336 0.822 20 0 BCADLP COC(=O)[C@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000592493248 347787728 /nfs/dbraw/zinc/78/77/28/347787728.db2.gz BDFXFCKALBXJFQ-GHMZBOCLSA-N 2 2 226.320 0.623 20 0 BCADLP COC(=O)[C@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000592493248 347787733 /nfs/dbraw/zinc/78/77/33/347787733.db2.gz BDFXFCKALBXJFQ-GHMZBOCLSA-N 2 2 226.320 0.623 20 0 BCADLP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000383158959 347850510 /nfs/dbraw/zinc/85/05/10/347850510.db2.gz NKRUQLPACWWFHT-SNVBAGLBSA-N 2 2 237.347 0.434 20 0 BCADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000319556686 259398637 /nfs/dbraw/zinc/39/86/37/259398637.db2.gz PIIFZBSIJHNQMK-AXFHLTTASA-N 2 2 200.326 0.999 20 0 BCADLP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000594953540 348148320 /nfs/dbraw/zinc/14/83/20/348148320.db2.gz IBEMUHQPKWFHIF-ZRUFSTJUSA-N 2 2 228.336 0.724 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000594918199 348153374 /nfs/dbraw/zinc/15/33/74/348153374.db2.gz PMRGTNSACZUVBQ-WRWGMCAJSA-N 2 2 240.347 0.868 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000594918199 348153376 /nfs/dbraw/zinc/15/33/76/348153376.db2.gz PMRGTNSACZUVBQ-WRWGMCAJSA-N 2 2 240.347 0.868 20 0 BCADLP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000594920204 348154554 /nfs/dbraw/zinc/15/45/54/348154554.db2.gz SSLRSMFNDBJDRN-GRYCIOLGSA-N 2 2 240.347 0.869 20 0 BCADLP CC[NH+]1CCC([NH2+]CC(=O)NC2CC2)CC1 ZINC000035141806 358454082 /nfs/dbraw/zinc/45/40/82/358454082.db2.gz LJJQLWBIFUVDQA-UHFFFAOYSA-N 2 2 225.336 0.339 20 0 BCADLP C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000309098973 349985770 /nfs/dbraw/zinc/98/57/70/349985770.db2.gz DXPWKKWDBQCOMM-IONNQARKSA-N 2 2 208.265 0.024 20 0 BCADLP COC(=O)[C@H]1C[NH2+]CCC[N@@H+]1CC1CC=CC1 ZINC000595895466 348391662 /nfs/dbraw/zinc/39/16/62/348391662.db2.gz NPWMVZRDHKVRRJ-GFCCVEGCSA-N 2 2 238.331 0.790 20 0 BCADLP COC(=O)[C@H]1C[NH2+]CCC[N@H+]1CC1CC=CC1 ZINC000595895466 348391664 /nfs/dbraw/zinc/39/16/64/348391664.db2.gz NPWMVZRDHKVRRJ-GFCCVEGCSA-N 2 2 238.331 0.790 20 0 BCADLP COC(=O)[C@@H]1CC[N@H+](C[C@H](C)[NH3+])C[C@@H]1C ZINC000595905895 348396554 /nfs/dbraw/zinc/39/65/54/348396554.db2.gz XDQURILHDNJMHW-LPEHRKFASA-N 2 2 214.309 0.465 20 0 BCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@H](C)[NH3+])C[C@@H]1C ZINC000595905895 348396559 /nfs/dbraw/zinc/39/65/59/348396559.db2.gz XDQURILHDNJMHW-LPEHRKFASA-N 2 2 214.309 0.465 20 0 BCADLP COC(=O)[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000596981973 348642897 /nfs/dbraw/zinc/64/28/97/348642897.db2.gz SXVKZXMEUVZELX-SNVBAGLBSA-N 2 2 249.314 0.824 20 0 BCADLP COC(=O)[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000596981973 348642901 /nfs/dbraw/zinc/64/29/01/348642901.db2.gz SXVKZXMEUVZELX-SNVBAGLBSA-N 2 2 249.314 0.824 20 0 BCADLP CCC[N@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000308865467 348979944 /nfs/dbraw/zinc/97/99/44/348979944.db2.gz QOSWHQVPLABAKB-NSHDSACASA-N 2 2 218.341 0.267 20 0 BCADLP CCC[N@@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000308865467 348979946 /nfs/dbraw/zinc/97/99/46/348979946.db2.gz QOSWHQVPLABAKB-NSHDSACASA-N 2 2 218.341 0.267 20 0 BCADLP CCC[NH+](C)C[C@H](O)C[N@H+](C)CCOC ZINC000308865467 348979949 /nfs/dbraw/zinc/97/99/49/348979949.db2.gz QOSWHQVPLABAKB-NSHDSACASA-N 2 2 218.341 0.267 20 0 BCADLP CCC[NH+](C)C[C@H](O)C[N@@H+](C)CCOC ZINC000308865467 348979951 /nfs/dbraw/zinc/97/99/51/348979951.db2.gz QOSWHQVPLABAKB-NSHDSACASA-N 2 2 218.341 0.267 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CO[C@H](C)C1 ZINC000402185023 350002592 /nfs/dbraw/zinc/00/25/92/350002592.db2.gz BYBJDHRMJBLMKU-KKOKHZNYSA-N 2 2 228.336 0.520 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000250376327 349170126 /nfs/dbraw/zinc/17/01/26/349170126.db2.gz FKGLDNGIHHNMKJ-ZJUUUORDSA-N 2 2 213.325 0.324 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000250376327 349170131 /nfs/dbraw/zinc/17/01/31/349170131.db2.gz FKGLDNGIHHNMKJ-ZJUUUORDSA-N 2 2 213.325 0.324 20 0 BCADLP C[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)CC[NH2+]1 ZINC000235707447 538035425 /nfs/dbraw/zinc/03/54/25/538035425.db2.gz XYZXZEAKTSPDAN-IUCAKERBSA-N 2 2 246.318 0.916 20 0 BCADLP CC(C)[NH2+]CC(=O)NCc1[nH+]ccn1C ZINC000070854955 490241995 /nfs/dbraw/zinc/24/19/95/490241995.db2.gz FDRZADFBOASALJ-UHFFFAOYSA-N 2 2 210.281 0.034 20 0 BCADLP CCOC[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000530243914 323220021 /nfs/dbraw/zinc/22/00/21/323220021.db2.gz IOTAXDIJYSCQKU-QWHCGFSZSA-N 2 2 242.363 0.723 20 0 BCADLP CCOC[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000530243914 323220023 /nfs/dbraw/zinc/22/00/23/323220023.db2.gz IOTAXDIJYSCQKU-QWHCGFSZSA-N 2 2 242.363 0.723 20 0 BCADLP COC[C@H](O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000601835844 349362783 /nfs/dbraw/zinc/36/27/83/349362783.db2.gz DTKSFXHTVPCBBZ-NWDGAFQWSA-N 2 2 239.319 0.527 20 0 BCADLP COC[C@H](O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000601835844 349362786 /nfs/dbraw/zinc/36/27/86/349362786.db2.gz DTKSFXHTVPCBBZ-NWDGAFQWSA-N 2 2 239.319 0.527 20 0 BCADLP O=C(CC[NH2+]C1CC1)NCc1[nH]cc[nH+]1 ZINC000070646720 350039236 /nfs/dbraw/zinc/03/92/36/350039236.db2.gz OIOBHKKPSMWXNM-UHFFFAOYSA-N 2 2 208.265 0.168 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C1([NH3+])CCCC1 ZINC000335249281 180118417 /nfs/dbraw/zinc/11/84/17/180118417.db2.gz LIFCPCTVFDJYPV-UHFFFAOYSA-N 2 2 222.292 0.606 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000335661459 180118543 /nfs/dbraw/zinc/11/85/43/180118543.db2.gz DXJXCEWYRRJPSK-WCBMZHEXSA-N 2 2 236.319 0.722 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](CO)C2)n1C ZINC000013570102 180144882 /nfs/dbraw/zinc/14/48/82/180144882.db2.gz XBRXQAGNAMLHEG-JTQLQIEISA-N 2 2 209.293 0.543 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](CO)C2)n1C ZINC000013570102 180144884 /nfs/dbraw/zinc/14/48/84/180144884.db2.gz XBRXQAGNAMLHEG-JTQLQIEISA-N 2 2 209.293 0.543 20 0 BCADLP Cc1ncc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)s1 ZINC000125894095 180151436 /nfs/dbraw/zinc/15/14/36/180151436.db2.gz UNBDFFYPTQWGFT-LLVKDONJSA-N 2 2 243.376 0.854 20 0 BCADLP Cc1nc(NCC[N@@H+]2CCCOCC2)cc[nH+]1 ZINC000275417434 180197538 /nfs/dbraw/zinc/19/75/38/180197538.db2.gz GYHRQSXCCGKFMN-UHFFFAOYSA-N 2 2 236.319 0.919 20 0 BCADLP Cc1nc(NCC[N@H+]2CCCOCC2)cc[nH+]1 ZINC000275417434 180197539 /nfs/dbraw/zinc/19/75/39/180197539.db2.gz GYHRQSXCCGKFMN-UHFFFAOYSA-N 2 2 236.319 0.919 20 0 BCADLP Cc1nc(NCCN2CC[NH+](C)CC2)cc[nH+]1 ZINC000054935944 180199537 /nfs/dbraw/zinc/19/95/37/180199537.db2.gz AGAZSBHTEMIVIM-UHFFFAOYSA-N 2 2 235.335 0.444 20 0 BCADLP Cc1[nH+]ccn1CCCCNC(=O)C[NH+](C)C ZINC000175814910 180237235 /nfs/dbraw/zinc/23/72/35/180237235.db2.gz UEJGDUJTXKBZOL-UHFFFAOYSA-N 2 2 238.335 0.650 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282204540 180251706 /nfs/dbraw/zinc/25/17/06/180251706.db2.gz OBQMMNZVJPZWKS-SNVBAGLBSA-N 2 2 236.319 0.354 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282204540 180251708 /nfs/dbraw/zinc/25/17/08/180251708.db2.gz OBQMMNZVJPZWKS-SNVBAGLBSA-N 2 2 236.319 0.354 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362071610 180253409 /nfs/dbraw/zinc/25/34/09/180253409.db2.gz JCYUBAYKCMUMBJ-ZYHUDNBSSA-N 2 2 223.320 0.752 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362071610 180253411 /nfs/dbraw/zinc/25/34/11/180253411.db2.gz JCYUBAYKCMUMBJ-ZYHUDNBSSA-N 2 2 223.320 0.752 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCOC[C@H]1C ZINC000270681918 180254921 /nfs/dbraw/zinc/25/49/21/180254921.db2.gz VEMQXUHENLNERG-SNVBAGLBSA-N 2 2 209.293 0.912 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCOC[C@H]1C ZINC000270681918 180254926 /nfs/dbraw/zinc/25/49/26/180254926.db2.gz VEMQXUHENLNERG-SNVBAGLBSA-N 2 2 209.293 0.912 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000361988714 180256397 /nfs/dbraw/zinc/25/63/97/180256397.db2.gz WFMHUOXALQGMRZ-JTQLQIEISA-N 2 2 246.318 0.860 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCn2cnnc2[C@@H]1C ZINC000361988714 180256400 /nfs/dbraw/zinc/25/64/00/180256400.db2.gz WFMHUOXALQGMRZ-JTQLQIEISA-N 2 2 246.318 0.860 20 0 BCADLP Cc1[nH+]ccn1CCCNC(=O)Cn1cc[nH+]c1 ZINC000266768350 180243837 /nfs/dbraw/zinc/24/38/37/180243837.db2.gz RVQYRSNSWYPAAG-UHFFFAOYSA-N 2 2 247.302 0.595 20 0 BCADLP Cc1nccnc1CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000339529675 180274946 /nfs/dbraw/zinc/27/49/46/180274946.db2.gz RTMAWNNZRJDZMO-GWCFXTLKSA-N 2 2 234.347 0.867 20 0 BCADLP Cc1nccnc1CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000339529675 180274947 /nfs/dbraw/zinc/27/49/47/180274947.db2.gz RTMAWNNZRJDZMO-GWCFXTLKSA-N 2 2 234.347 0.867 20 0 BCADLP Cc1nccnc1CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000339529678 180274980 /nfs/dbraw/zinc/27/49/80/180274980.db2.gz RTMAWNNZRJDZMO-GXFFZTMASA-N 2 2 234.347 0.867 20 0 BCADLP Cc1nccnc1CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000339529678 180274982 /nfs/dbraw/zinc/27/49/82/180274982.db2.gz RTMAWNNZRJDZMO-GXFFZTMASA-N 2 2 234.347 0.867 20 0 BCADLP CCCNC(=O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221785237 490426015 /nfs/dbraw/zinc/42/60/15/490426015.db2.gz BHVCQSJXUIUUJT-QWRGUYRKSA-N 2 2 227.352 0.585 20 0 BCADLP CCCNC(=O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221785237 490426017 /nfs/dbraw/zinc/42/60/17/490426017.db2.gz BHVCQSJXUIUUJT-QWRGUYRKSA-N 2 2 227.352 0.585 20 0 BCADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000068940221 350314210 /nfs/dbraw/zinc/31/42/10/350314210.db2.gz NIPQBSMCZWVERW-GHMZBOCLSA-N 2 2 248.392 0.493 20 0 BCADLP c1cn(CC[N@@H+]2CC[C@@]3(CCOC3)C2)c[nH+]1 ZINC000163263598 350513716 /nfs/dbraw/zinc/51/37/16/350513716.db2.gz CGEPETKNKATULU-GFCCVEGCSA-N 2 2 221.304 0.996 20 0 BCADLP c1cn(CC[N@H+]2CC[C@@]3(CCOC3)C2)c[nH+]1 ZINC000163263598 350513720 /nfs/dbraw/zinc/51/37/20/350513720.db2.gz CGEPETKNKATULU-GFCCVEGCSA-N 2 2 221.304 0.996 20 0 BCADLP C[NH+](C)C(C)(C)C[NH2+]CC1(C)COC1 ZINC000070617347 350549809 /nfs/dbraw/zinc/54/98/09/350549809.db2.gz QZBSVMKSKODSNI-UHFFFAOYSA-N 2 2 200.326 0.953 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])c[nH+]1 ZINC000335274881 133820236 /nfs/dbraw/zinc/82/02/36/133820236.db2.gz CSHOPGBNTIMNGQ-RKDXNWHRSA-N 2 2 222.292 0.718 20 0 BCADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)NCCF)CC1 ZINC000337420195 350584172 /nfs/dbraw/zinc/58/41/72/350584172.db2.gz FKNFYAPVYJVGRO-SNVBAGLBSA-N 2 2 245.342 0.535 20 0 BCADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)[NH+]1CC(C)C1 ZINC000581734570 350774452 /nfs/dbraw/zinc/77/44/52/350774452.db2.gz PNBAMYLWOMMLLK-RYUDHWBXSA-N 2 2 239.363 0.489 20 0 BCADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)[NH+]1CC(C)C1 ZINC000581734570 350774455 /nfs/dbraw/zinc/77/44/55/350774455.db2.gz PNBAMYLWOMMLLK-RYUDHWBXSA-N 2 2 239.363 0.489 20 0 BCADLP CC[C@@H]1C(=O)NCC[N@H+]1CCn1cc[nH+]c1 ZINC000270826673 351388541 /nfs/dbraw/zinc/38/85/41/351388541.db2.gz CCYDDLZDXNBNAN-SNVBAGLBSA-N 2 2 222.292 0.094 20 0 BCADLP CC[C@@H]1C(=O)NCC[N@@H+]1CCn1cc[nH+]c1 ZINC000270826673 351388547 /nfs/dbraw/zinc/38/85/47/351388547.db2.gz CCYDDLZDXNBNAN-SNVBAGLBSA-N 2 2 222.292 0.094 20 0 BCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CCCC1 ZINC000623617805 363061638 /nfs/dbraw/zinc/06/16/38/363061638.db2.gz PTKRKDKJUHUDEK-LBPRGKRZSA-N 2 2 239.363 0.858 20 0 BCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CCCC1 ZINC000623617805 363061639 /nfs/dbraw/zinc/06/16/39/363061639.db2.gz PTKRKDKJUHUDEK-LBPRGKRZSA-N 2 2 239.363 0.858 20 0 BCADLP [NH3+]C1(C(=O)N2CC[NH+](C3CC3)CC2)CCC1 ZINC000088050617 351541701 /nfs/dbraw/zinc/54/17/01/351541701.db2.gz IKSYXFOOVKLBFS-UHFFFAOYSA-N 2 2 223.320 0.174 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](O)C1 ZINC000414671326 351577984 /nfs/dbraw/zinc/57/79/84/351577984.db2.gz NVNJQYVDDMUDDR-GHMZBOCLSA-N 2 2 200.326 0.817 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](O)C1 ZINC000414671326 351577989 /nfs/dbraw/zinc/57/79/89/351577989.db2.gz NVNJQYVDDMUDDR-GHMZBOCLSA-N 2 2 200.326 0.817 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH2+]C[C@H]1C ZINC000637819302 351659493 /nfs/dbraw/zinc/65/94/93/351659493.db2.gz SBUTZDLJUOFOJG-MRVPVSSYSA-N 2 2 222.292 0.081 20 0 BCADLP CCc1c[nH]c(CC(=O)N2CCC[C@H]([NH3+])C2)[nH+]1 ZINC000637798659 351627409 /nfs/dbraw/zinc/62/74/09/351627409.db2.gz ZWWRKRHDKVTMDF-VIFPVBQESA-N 2 2 236.319 0.464 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000637839178 351689583 /nfs/dbraw/zinc/68/95/83/351689583.db2.gz AMCRAUXMVIOZGQ-MRVPVSSYSA-N 2 2 222.292 0.081 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000637840303 351695755 /nfs/dbraw/zinc/69/57/55/351695755.db2.gz FNPMYAASQPFMHN-ZETCQYMHSA-N 2 2 210.281 0.066 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000637843297 351702329 /nfs/dbraw/zinc/70/23/29/351702329.db2.gz WNLGXPQOQVFXSB-GFCCVEGCSA-N 2 2 236.319 0.504 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000637843297 351702330 /nfs/dbraw/zinc/70/23/30/351702330.db2.gz WNLGXPQOQVFXSB-GFCCVEGCSA-N 2 2 236.319 0.504 20 0 BCADLP CC1(C)C[NH2+]CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000637857407 351717877 /nfs/dbraw/zinc/71/78/77/351717877.db2.gz PLHXTLMKWABRAN-NXEZZACHSA-N 2 2 248.330 0.724 20 0 BCADLP CC1(C)C[NH2+]CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000637857407 351717883 /nfs/dbraw/zinc/71/78/83/351717883.db2.gz PLHXTLMKWABRAN-NXEZZACHSA-N 2 2 248.330 0.724 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000637860443 351721147 /nfs/dbraw/zinc/72/11/47/351721147.db2.gz APJLVYHBOMISPN-UHFFFAOYSA-N 2 2 238.335 0.704 20 0 BCADLP CCCCNC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088287617 351752344 /nfs/dbraw/zinc/75/23/44/351752344.db2.gz OSWTWSGEJJRRNE-GHMZBOCLSA-N 2 2 225.336 0.054 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000637852594 351711257 /nfs/dbraw/zinc/71/12/57/351711257.db2.gz OEHKWGLWNRHTGE-LBPRGKRZSA-N 2 2 238.335 0.750 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000637852594 351711260 /nfs/dbraw/zinc/71/12/60/351711260.db2.gz OEHKWGLWNRHTGE-LBPRGKRZSA-N 2 2 238.335 0.750 20 0 BCADLP CC(C)([NH3+])CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000236609430 187503654 /nfs/dbraw/zinc/50/36/54/187503654.db2.gz OLONWQYALROFGU-UHFFFAOYSA-N 2 2 246.314 0.730 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638072361 351944316 /nfs/dbraw/zinc/94/43/16/351944316.db2.gz FNHQRKAOHXLUSW-GXSJLCMTSA-N 2 2 234.303 0.435 20 0 BCADLP CCC[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC000638146838 352011418 /nfs/dbraw/zinc/01/14/18/352011418.db2.gz IWOJYNSSRJCNOY-UHFFFAOYSA-N 2 2 224.308 0.376 20 0 BCADLP CCC[NH2+]CCNC(=O)Cc1[nH+]c[nH]c1C ZINC000638146838 352011423 /nfs/dbraw/zinc/01/14/23/352011423.db2.gz IWOJYNSSRJCNOY-UHFFFAOYSA-N 2 2 224.308 0.376 20 0 BCADLP CC[NH2+][C@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000638097850 351979174 /nfs/dbraw/zinc/97/91/74/351979174.db2.gz HUBFLXGXWMOBLO-SECBINFHSA-N 2 2 207.277 0.748 20 0 BCADLP CC[NH2+][C@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000638129682 351999514 /nfs/dbraw/zinc/99/95/14/351999514.db2.gz BIUYKDMEROOUMF-MRVPVSSYSA-N 2 2 210.281 0.332 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638176484 352042270 /nfs/dbraw/zinc/04/22/70/352042270.db2.gz CMXMZYPVJZYGHJ-ZDCRXTMVSA-N 2 2 248.330 0.627 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638176484 352042274 /nfs/dbraw/zinc/04/22/74/352042274.db2.gz CMXMZYPVJZYGHJ-ZDCRXTMVSA-N 2 2 248.330 0.627 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000638199095 352062867 /nfs/dbraw/zinc/06/28/67/352062867.db2.gz HCNOWGWUWFHSOV-NXEZZACHSA-N 2 2 236.319 0.647 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000638199095 352062870 /nfs/dbraw/zinc/06/28/70/352062870.db2.gz HCNOWGWUWFHSOV-NXEZZACHSA-N 2 2 236.319 0.647 20 0 BCADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638203771 352064877 /nfs/dbraw/zinc/06/48/77/352064877.db2.gz HNPHWOKIBMOOJJ-LNFKQOIKSA-N 2 2 248.330 0.722 20 0 BCADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638203771 352064882 /nfs/dbraw/zinc/06/48/82/352064882.db2.gz HNPHWOKIBMOOJJ-LNFKQOIKSA-N 2 2 248.330 0.722 20 0 BCADLP Cc1cn2ccc(C(=O)NC[C@@H](C)[NH3+])cc2[nH+]1 ZINC000638210190 352072886 /nfs/dbraw/zinc/07/28/86/352072886.db2.gz FKAUYRVCPQGCFN-MRVPVSSYSA-N 2 2 232.287 0.720 20 0 BCADLP CCc1c[nH]c(CC(=O)N[C@@H](C)CC[NH3+])[nH+]1 ZINC000638155893 352019338 /nfs/dbraw/zinc/01/93/38/352019338.db2.gz LFFARMDCZOHSCE-QMMMGPOBSA-N 2 2 224.308 0.368 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)NCC1([NH3+])CCC1 ZINC000638160340 352025024 /nfs/dbraw/zinc/02/50/24/352025024.db2.gz FNKOHAPMVPXXPQ-UHFFFAOYSA-N 2 2 222.292 0.258 20 0 BCADLP CO[C@@H](C[NH2+]CCn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000638297745 352129874 /nfs/dbraw/zinc/12/98/74/352129874.db2.gz KAIBJVGALRHBGB-NEPJUHHUSA-N 2 2 239.319 0.524 20 0 BCADLP c1[nH]c(C[NH2+][C@@H]2COC[C@H]2C2CC2)c[nH+]1 ZINC000725270224 538101961 /nfs/dbraw/zinc/10/19/61/538101961.db2.gz YWLADRJBCFNIEM-WDEREUQCSA-N 2 2 207.277 0.924 20 0 BCADLP CN(CCCn1cc[nH+]c1)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638302024 352134094 /nfs/dbraw/zinc/13/40/94/352134094.db2.gz RKPKTXGBOPTNMI-GFCCVEGCSA-N 2 2 248.330 0.779 20 0 BCADLP CN(CCCn1cc[nH+]c1)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638302025 352134130 /nfs/dbraw/zinc/13/41/30/352134130.db2.gz RKPKTXGBOPTNMI-LBPRGKRZSA-N 2 2 248.330 0.779 20 0 BCADLP CCc1c[nH]c(CC(=O)N2CC[C@H]([NH3+])[C@@H]2C)[nH+]1 ZINC000638237123 352088135 /nfs/dbraw/zinc/08/81/35/352088135.db2.gz OJQSXJVMXGQFHP-WPRPVWTQSA-N 2 2 236.319 0.463 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NC(C)(C)CCC[NH3+] ZINC000638247792 352093706 /nfs/dbraw/zinc/09/37/06/352093706.db2.gz STCNJSBTUGISMT-UHFFFAOYSA-N 2 2 238.335 0.894 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)NC(C)(C)CCC[NH3+] ZINC000638247792 352093709 /nfs/dbraw/zinc/09/37/09/352093709.db2.gz STCNJSBTUGISMT-UHFFFAOYSA-N 2 2 238.335 0.894 20 0 BCADLP CCc1c[nH]c(CC(=O)N[C@@H](C)[C@@H](C)[NH3+])[nH+]1 ZINC000638254871 352097925 /nfs/dbraw/zinc/09/79/25/352097925.db2.gz IZVMNLDWZQSNHW-SFYZADRCSA-N 2 2 224.308 0.367 20 0 BCADLP CCc1c[nH]c(CC(=O)NC[C@H]([NH3+])CC)[nH+]1 ZINC000638256735 352099820 /nfs/dbraw/zinc/09/98/20/352099820.db2.gz RDQJUHATLYRGQQ-MRVPVSSYSA-N 2 2 224.308 0.368 20 0 BCADLP CC[C@@H]([NH3+])CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638257415 352100891 /nfs/dbraw/zinc/10/08/91/352100891.db2.gz VTWFFDULRABXNQ-IWSPIJDZSA-N 2 2 222.292 0.367 20 0 BCADLP CC[C@@H]([NH3+])CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638257415 352100894 /nfs/dbraw/zinc/10/08/94/352100894.db2.gz VTWFFDULRABXNQ-IWSPIJDZSA-N 2 2 222.292 0.367 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH3+])C1 ZINC000638256166 352103767 /nfs/dbraw/zinc/10/37/67/352103767.db2.gz PPFDPXRODGDFNB-UHFFFAOYSA-N 2 2 222.292 0.209 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000638332839 352150967 /nfs/dbraw/zinc/15/09/67/352150967.db2.gz PTNIRJUMTBVKEL-VXNVDRBHSA-N 2 2 222.292 0.066 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000638331796 352153780 /nfs/dbraw/zinc/15/37/80/352153780.db2.gz LWPXKYGTAKCFGI-NSHDSACASA-N 2 2 236.319 0.456 20 0 BCADLP C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638343755 352162968 /nfs/dbraw/zinc/16/29/68/352162968.db2.gz LWDTZZWCOGWLJF-NXEZZACHSA-N 2 2 236.319 0.581 20 0 BCADLP C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638343755 352162970 /nfs/dbraw/zinc/16/29/70/352162970.db2.gz LWDTZZWCOGWLJF-NXEZZACHSA-N 2 2 236.319 0.581 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000638368972 352181516 /nfs/dbraw/zinc/18/15/16/352181516.db2.gz CPBBZMMBACLOMR-YUMQZZPRSA-N 2 2 224.308 0.503 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000638368972 352181520 /nfs/dbraw/zinc/18/15/20/352181520.db2.gz CPBBZMMBACLOMR-YUMQZZPRSA-N 2 2 224.308 0.503 20 0 BCADLP CC[NH2+][C@@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000638428972 352236991 /nfs/dbraw/zinc/23/69/91/352236991.db2.gz FWXJDSRQRGHDDU-IUCAKERBSA-N 2 2 224.308 0.595 20 0 BCADLP C[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)c1[nH+]ccn1C ZINC000638431398 352239384 /nfs/dbraw/zinc/23/93/84/352239384.db2.gz UBCAGXQKOOHEMV-WPRPVWTQSA-N 2 2 234.303 0.645 20 0 BCADLP CCc1c[nH]c(CC(=O)N(C)CC(C)(C)[NH3+])[nH+]1 ZINC000638402620 352208801 /nfs/dbraw/zinc/20/88/01/352208801.db2.gz BQCGYOMCZFTUQO-UHFFFAOYSA-N 2 2 238.335 0.710 20 0 BCADLP OC1CCC([NH2+]CCn2cc[nH+]c2)CC1 ZINC000219169987 363133810 /nfs/dbraw/zinc/13/38/10/363133810.db2.gz UZKBSGLUOJHQCK-UHFFFAOYSA-N 2 2 209.293 0.776 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)C[C@H](C)[NH3+] ZINC000638425438 352233034 /nfs/dbraw/zinc/23/30/34/352233034.db2.gz GGPOCCCQTFUZTE-IUCAKERBSA-N 2 2 224.308 0.818 20 0 BCADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)c2[nH+]ccn21 ZINC000627053108 363171948 /nfs/dbraw/zinc/17/19/48/363171948.db2.gz XOFFKFCZSAMEGB-OPRDCNLKSA-N 2 2 249.318 0.550 20 0 BCADLP COCC[N@H+](C)CC[NH2+]C[C@](C)(OC)C1CC1 ZINC000638484253 352294053 /nfs/dbraw/zinc/29/40/53/352294053.db2.gz VYWCZNRQWKNQOG-ZDUSSCGKSA-N 2 2 244.379 0.969 20 0 BCADLP COCC[N@@H+](C)CC[NH2+]C[C@](C)(OC)C1CC1 ZINC000638484253 352294056 /nfs/dbraw/zinc/29/40/56/352294056.db2.gz VYWCZNRQWKNQOG-ZDUSSCGKSA-N 2 2 244.379 0.969 20 0 BCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638506220 352327333 /nfs/dbraw/zinc/32/73/33/352327333.db2.gz QLJKJPJLVGBNNT-LLVKDONJSA-N 2 2 248.330 0.674 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638641693 352484786 /nfs/dbraw/zinc/48/47/86/352484786.db2.gz TYSIWRQOXKVSFK-SCZZXKLOSA-N 2 2 236.319 0.517 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638641693 352484789 /nfs/dbraw/zinc/48/47/89/352484789.db2.gz TYSIWRQOXKVSFK-SCZZXKLOSA-N 2 2 236.319 0.517 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000042166332 352614487 /nfs/dbraw/zinc/61/44/87/352614487.db2.gz LIWGUIOQNJQFNW-QWRGUYRKSA-N 2 2 236.319 0.530 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)CCOCC[NH3+] ZINC000301013582 352583907 /nfs/dbraw/zinc/58/39/07/352583907.db2.gz HDNQMYYJANBPSO-UHFFFAOYSA-N 3 2 226.324 0.180 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)CCOCC[NH3+] ZINC000301013582 352583912 /nfs/dbraw/zinc/58/39/12/352583912.db2.gz HDNQMYYJANBPSO-UHFFFAOYSA-N 3 2 226.324 0.180 20 0 BCADLP CN(C)C(=O)C1([NH2+]CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000411914401 191226191 /nfs/dbraw/zinc/22/61/91/191226191.db2.gz PZBCWERIQMMOQV-LLVKDONJSA-N 2 2 239.363 0.681 20 0 BCADLP CN(C)C(=O)C1([NH2+]CC[C@H]2CCC[N@H+]2C)CC1 ZINC000411914401 191226193 /nfs/dbraw/zinc/22/61/93/191226193.db2.gz PZBCWERIQMMOQV-LLVKDONJSA-N 2 2 239.363 0.681 20 0 BCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CCC[NH2+]C1 ZINC000044501659 352653587 /nfs/dbraw/zinc/65/35/87/352653587.db2.gz KGCILWPAZMPZBH-NSHDSACASA-N 2 2 236.319 0.389 20 0 BCADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000042409207 352621990 /nfs/dbraw/zinc/62/19/90/352621990.db2.gz DIXQKVXKIIFWOU-SNVBAGLBSA-N 2 2 227.352 0.572 20 0 BCADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000042409207 352621993 /nfs/dbraw/zinc/62/19/93/352621993.db2.gz DIXQKVXKIIFWOU-SNVBAGLBSA-N 2 2 227.352 0.572 20 0 BCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[NH2+]C3)ccn12 ZINC000638792237 352753785 /nfs/dbraw/zinc/75/37/85/352753785.db2.gz GAUARMCWCBYHAJ-LLVKDONJSA-N 2 2 244.298 0.734 20 0 BCADLP CC(C)([NH3+])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000019672477 535194834 /nfs/dbraw/zinc/19/48/34/535194834.db2.gz YPXQJOUUBPGJST-UHFFFAOYSA-N 2 2 248.330 0.468 20 0 BCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@H](C)[NH+](C)C ZINC000638864666 353038350 /nfs/dbraw/zinc/03/83/50/353038350.db2.gz BKZDUQJSQRCNJE-GRYCIOLGSA-N 2 2 241.379 0.973 20 0 BCADLP C[C@H](Cc1cnccn1)[NH2+]C[C@H](C)[NH+](C)C ZINC000638866232 353040432 /nfs/dbraw/zinc/04/04/32/353040432.db2.gz PLJSUFTWYPMYKL-MNOVXSKESA-N 2 2 222.336 0.947 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CCCC2(C1)OCCO2 ZINC000261571671 535198527 /nfs/dbraw/zinc/19/85/27/535198527.db2.gz HRRDBUWPLSVLOT-UHFFFAOYSA-N 2 2 214.309 0.563 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CCCC2(C1)OCCO2 ZINC000261571671 535198530 /nfs/dbraw/zinc/19/85/30/535198530.db2.gz HRRDBUWPLSVLOT-UHFFFAOYSA-N 2 2 214.309 0.563 20 0 BCADLP CCc1c[nH]c(CC(=O)N2C[C@@H]([NH3+])C[C@H]2C)[nH+]1 ZINC000638929625 353090476 /nfs/dbraw/zinc/09/04/76/353090476.db2.gz GZEOOOFGRCVTFE-BDAKNGLRSA-N 2 2 236.319 0.463 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000334413509 353094951 /nfs/dbraw/zinc/09/49/51/353094951.db2.gz MAENJNCXKVSNQO-SECBINFHSA-N 2 2 222.292 0.462 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC[N@H+]1C ZINC000334413509 353094954 /nfs/dbraw/zinc/09/49/54/353094954.db2.gz MAENJNCXKVSNQO-SECBINFHSA-N 2 2 222.292 0.462 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CCn1cc[nH+]c1 ZINC000638933390 353095691 /nfs/dbraw/zinc/09/56/91/353095691.db2.gz BYQGLYNYIQPKLI-ZJUUUORDSA-N 2 2 222.292 0.221 20 0 BCADLP CC(C)[N@@H+](CCn1cc[nH+]c1)C[C@H](C)O ZINC000120421872 188075235 /nfs/dbraw/zinc/07/52/35/188075235.db2.gz BMRQHYZGDSCSDS-NSHDSACASA-N 2 2 211.309 0.974 20 0 BCADLP CC(C)[N@H+](CCn1cc[nH+]c1)C[C@H](C)O ZINC000120421872 188075236 /nfs/dbraw/zinc/07/52/36/188075236.db2.gz BMRQHYZGDSCSDS-NSHDSACASA-N 2 2 211.309 0.974 20 0 BCADLP Cn1cc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)nn1 ZINC000329293602 538108836 /nfs/dbraw/zinc/10/88/36/538108836.db2.gz RQKIVQWNUDHGMH-SNVBAGLBSA-N 2 2 246.318 0.679 20 0 BCADLP CC(C)[C@H](C[NH3+])C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000044806106 188084944 /nfs/dbraw/zinc/08/49/44/188084944.db2.gz HAZUVHZVVXXQFA-QWRGUYRKSA-N 2 2 238.335 0.619 20 0 BCADLP C[C@@H](CC1CCC1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000638996289 353232256 /nfs/dbraw/zinc/23/22/56/353232256.db2.gz KTLRXVMIYIGZPA-CMPLNLGQSA-N 2 2 241.379 0.960 20 0 BCADLP CC(C)[C@H]1C(=O)NCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000336409296 188230273 /nfs/dbraw/zinc/23/02/73/188230273.db2.gz HFCQECJWMYXFQX-RYUDHWBXSA-N 2 2 239.363 0.442 20 0 BCADLP CC(C)[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000336409296 188230275 /nfs/dbraw/zinc/23/02/75/188230275.db2.gz HFCQECJWMYXFQX-RYUDHWBXSA-N 2 2 239.363 0.442 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC000336508961 188231425 /nfs/dbraw/zinc/23/14/25/188231425.db2.gz HIJHGCBTTAUQAY-QWRGUYRKSA-N 2 2 225.336 0.149 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC000336508961 188231427 /nfs/dbraw/zinc/23/14/27/188231427.db2.gz HIJHGCBTTAUQAY-QWRGUYRKSA-N 2 2 225.336 0.149 20 0 BCADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(=O)NC1CC1 ZINC000333721844 188228228 /nfs/dbraw/zinc/22/82/28/188228228.db2.gz UUAOBRIYVLRQDY-MIZYBKAJSA-N 2 2 239.363 0.630 20 0 BCADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cncn1C ZINC000252889223 353312929 /nfs/dbraw/zinc/31/29/29/353312929.db2.gz CSKIKPXECBSZIG-CMPLNLGQSA-N 2 2 222.336 0.850 20 0 BCADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cncn1C ZINC000252889223 353312931 /nfs/dbraw/zinc/31/29/31/353312931.db2.gz CSKIKPXECBSZIG-CMPLNLGQSA-N 2 2 222.336 0.850 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000639053625 353355724 /nfs/dbraw/zinc/35/57/24/353355724.db2.gz KOXYFRDMVCCBJU-NXEZZACHSA-N 2 2 236.306 0.934 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000639053625 353355726 /nfs/dbraw/zinc/35/57/26/353355726.db2.gz KOXYFRDMVCCBJU-NXEZZACHSA-N 2 2 236.306 0.934 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CS[C@H](C)C1 ZINC000639054415 353359602 /nfs/dbraw/zinc/35/96/02/353359602.db2.gz QTLKEWTWXUFFOF-MNOVXSKESA-N 2 2 232.393 0.784 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CS[C@H](C)C1 ZINC000639054415 353359604 /nfs/dbraw/zinc/35/96/04/353359604.db2.gz QTLKEWTWXUFFOF-MNOVXSKESA-N 2 2 232.393 0.784 20 0 BCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccns2)C1 ZINC000639049044 353341054 /nfs/dbraw/zinc/34/10/54/353341054.db2.gz GXZFOSCHLACVIM-SNVBAGLBSA-N 2 2 227.333 0.299 20 0 BCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccns2)C1 ZINC000639049044 353341057 /nfs/dbraw/zinc/34/10/57/353341057.db2.gz GXZFOSCHLACVIM-SNVBAGLBSA-N 2 2 227.333 0.299 20 0 BCADLP CCn1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000085283447 538116381 /nfs/dbraw/zinc/11/63/81/538116381.db2.gz XFDCQJZFKIPUNC-VXGBXAGGSA-N 2 2 220.320 0.554 20 0 BCADLP CO[C@@H]1CC[N@H+](CCCF)[C@@H](C[NH3+])C1 ZINC000226421124 363217936 /nfs/dbraw/zinc/21/79/36/363217936.db2.gz QOZAQORMZCDYCW-NXEZZACHSA-N 2 2 204.289 0.784 20 0 BCADLP CO[C@@H]1CC[N@@H+](CCCF)[C@@H](C[NH3+])C1 ZINC000226421124 363217941 /nfs/dbraw/zinc/21/79/41/363217941.db2.gz QOZAQORMZCDYCW-NXEZZACHSA-N 2 2 204.289 0.784 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230013728 353420578 /nfs/dbraw/zinc/42/05/78/353420578.db2.gz AUOVCFNJNRUITC-ZYHUDNBSSA-N 2 2 239.319 0.273 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230013728 353420579 /nfs/dbraw/zinc/42/05/79/353420579.db2.gz AUOVCFNJNRUITC-ZYHUDNBSSA-N 2 2 239.319 0.273 20 0 BCADLP C[C@@H]1CC[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000135803693 538116983 /nfs/dbraw/zinc/11/69/83/538116983.db2.gz ZIJDAQAMCOMDPJ-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]1C1CC1 ZINC000577865423 366088367 /nfs/dbraw/zinc/08/83/67/366088367.db2.gz AMDJRDPMSVYBRE-VXGBXAGGSA-N 2 2 212.337 0.783 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]1C1CC1 ZINC000577865423 366088370 /nfs/dbraw/zinc/08/83/70/366088370.db2.gz AMDJRDPMSVYBRE-VXGBXAGGSA-N 2 2 212.337 0.783 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H]1C1CC1 ZINC000577865423 366088372 /nfs/dbraw/zinc/08/83/72/366088372.db2.gz AMDJRDPMSVYBRE-VXGBXAGGSA-N 2 2 212.337 0.783 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H]1C1CC1 ZINC000577865423 366088375 /nfs/dbraw/zinc/08/83/75/366088375.db2.gz AMDJRDPMSVYBRE-VXGBXAGGSA-N 2 2 212.337 0.783 20 0 BCADLP Cc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)c(C#N)c[nH+]1 ZINC000399004241 353552043 /nfs/dbraw/zinc/55/20/43/353552043.db2.gz VVWDEIRSLGUJNJ-TXEJJXNPSA-N 2 2 228.299 0.917 20 0 BCADLP CO[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000343314838 353634349 /nfs/dbraw/zinc/63/43/49/353634349.db2.gz OJROSFDJTOFEOD-LLVKDONJSA-N 2 2 209.293 0.994 20 0 BCADLP CO[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000343314838 353634351 /nfs/dbraw/zinc/63/43/51/353634351.db2.gz OJROSFDJTOFEOD-LLVKDONJSA-N 2 2 209.293 0.994 20 0 BCADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000232496855 353727749 /nfs/dbraw/zinc/72/77/49/353727749.db2.gz GMWRAYSCFHVMJI-GFCCVEGCSA-N 2 2 227.352 0.572 20 0 BCADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000232496855 353727751 /nfs/dbraw/zinc/72/77/51/353727751.db2.gz GMWRAYSCFHVMJI-GFCCVEGCSA-N 2 2 227.352 0.572 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cn(C)nn2)C1 ZINC000220203352 353826675 /nfs/dbraw/zinc/82/66/75/353826675.db2.gz IWWZWVGZTNGYDO-UWVGGRQHSA-N 2 2 223.324 0.374 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(C)nn2)C1 ZINC000220203352 353826678 /nfs/dbraw/zinc/82/66/78/353826678.db2.gz IWWZWVGZTNGYDO-UWVGGRQHSA-N 2 2 223.324 0.374 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cn(C)nn2)C1 ZINC000220203227 353827037 /nfs/dbraw/zinc/82/70/37/353827037.db2.gz IWWZWVGZTNGYDO-VHSXEESVSA-N 2 2 223.324 0.374 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(C)nn2)C1 ZINC000220203227 353827040 /nfs/dbraw/zinc/82/70/40/353827040.db2.gz IWWZWVGZTNGYDO-VHSXEESVSA-N 2 2 223.324 0.374 20 0 BCADLP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)nn1 ZINC000220348813 353830596 /nfs/dbraw/zinc/83/05/96/353830596.db2.gz OHGGIJDQUWHWBL-MVWJERBFSA-N 2 2 235.335 0.374 20 0 BCADLP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)nn1 ZINC000220348813 353830598 /nfs/dbraw/zinc/83/05/98/353830598.db2.gz OHGGIJDQUWHWBL-MVWJERBFSA-N 2 2 235.335 0.374 20 0 BCADLP O=C1CC[C@H]2C[N@H+](CCCn3cc[nH+]c3)CCN12 ZINC000343584282 353939677 /nfs/dbraw/zinc/93/96/77/353939677.db2.gz NQHCYHGAEFSFRQ-LBPRGKRZSA-N 2 2 248.330 0.580 20 0 BCADLP O=C1CC[C@H]2C[N@@H+](CCCn3cc[nH+]c3)CCN12 ZINC000343584282 353939679 /nfs/dbraw/zinc/93/96/79/353939679.db2.gz NQHCYHGAEFSFRQ-LBPRGKRZSA-N 2 2 248.330 0.580 20 0 BCADLP COCC[C@H](CO)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000343589338 353940931 /nfs/dbraw/zinc/94/09/31/353940931.db2.gz GOBVCGSQBKDSFO-LOWVWBTDSA-N 2 2 242.363 0.456 20 0 BCADLP COCC[C@H](CO)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000343589338 353940934 /nfs/dbraw/zinc/94/09/34/353940934.db2.gz GOBVCGSQBKDSFO-LOWVWBTDSA-N 2 2 242.363 0.456 20 0 BCADLP COCCOCCCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000343918179 354041695 /nfs/dbraw/zinc/04/16/95/354041695.db2.gz QPEZRJHZLMEZGO-STQMWFEESA-N 2 2 244.379 0.969 20 0 BCADLP COCCOCCCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000343918179 354041699 /nfs/dbraw/zinc/04/16/99/354041699.db2.gz QPEZRJHZLMEZGO-STQMWFEESA-N 2 2 244.379 0.969 20 0 BCADLP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623176044 354001706 /nfs/dbraw/zinc/00/17/06/354001706.db2.gz BRWYEQMYTZMRLN-MNOVXSKESA-N 2 2 248.330 0.314 20 0 BCADLP Cc1cncc([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)c1 ZINC000343842806 354020163 /nfs/dbraw/zinc/02/01/63/354020163.db2.gz VLQROPQFQFKNOR-AAEUAGOBSA-N 2 2 237.347 0.963 20 0 BCADLP C[C@H](Cc1cnccn1)[NH2+][C@@H](C)C[NH+](C)C ZINC000639167594 354036378 /nfs/dbraw/zinc/03/63/78/354036378.db2.gz HNNNWVMAWLORJD-MNOVXSKESA-N 2 2 222.336 0.947 20 0 BCADLP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[NH2+]C1 ZINC000230484832 363312660 /nfs/dbraw/zinc/31/26/60/363312660.db2.gz INJWMVNCWXSKSI-GHMZBOCLSA-N 2 2 200.326 0.735 20 0 BCADLP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC([NH3+])C1 ZINC000623179073 354146034 /nfs/dbraw/zinc/14/60/34/354146034.db2.gz VQGRRPQRQCTQEH-KPPDAEKUSA-N 2 2 248.330 0.394 20 0 BCADLP OCC[N@H+](CC(F)F)CC1CC[NH2+]CC1 ZINC000231618293 363345449 /nfs/dbraw/zinc/34/54/49/363345449.db2.gz ILZUFAUMPYGTMR-UHFFFAOYSA-N 2 2 222.279 0.545 20 0 BCADLP OCC[N@@H+](CC(F)F)CC1CC[NH2+]CC1 ZINC000231618293 363345453 /nfs/dbraw/zinc/34/54/53/363345453.db2.gz ILZUFAUMPYGTMR-UHFFFAOYSA-N 2 2 222.279 0.545 20 0 BCADLP C[C@@]1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[NH2+]C1 ZINC000623180569 354245394 /nfs/dbraw/zinc/24/53/94/354245394.db2.gz MZSJASXFDGFTGV-ZWNOBZJWSA-N 2 2 248.330 0.314 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCn2ccnn2)C1 ZINC000344312321 354220091 /nfs/dbraw/zinc/22/00/91/354220091.db2.gz XHNCJUJIFXUVLF-NEPJUHHUSA-N 2 2 237.351 0.598 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCn2ccnn2)C1 ZINC000344312321 354220092 /nfs/dbraw/zinc/22/00/92/354220092.db2.gz XHNCJUJIFXUVLF-NEPJUHHUSA-N 2 2 237.351 0.598 20 0 BCADLP CCN(C)C(=O)[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000231843143 363355008 /nfs/dbraw/zinc/35/50/08/363355008.db2.gz KFVDYECTYCKMBW-VHSXEESVSA-N 2 2 213.325 0.195 20 0 BCADLP COCCN1CC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000344486950 354286235 /nfs/dbraw/zinc/28/62/35/354286235.db2.gz SEDUWZMEENUELM-FRRDWIJNSA-N 2 2 241.379 0.247 20 0 BCADLP COCCN1CC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000344486950 354286237 /nfs/dbraw/zinc/28/62/37/354286237.db2.gz SEDUWZMEENUELM-FRRDWIJNSA-N 2 2 241.379 0.247 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000344668293 354341947 /nfs/dbraw/zinc/34/19/47/354341947.db2.gz JRXFDRNXPWPFEY-CDMKHQONSA-N 2 2 234.347 0.807 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000344668293 354341950 /nfs/dbraw/zinc/34/19/50/354341950.db2.gz JRXFDRNXPWPFEY-CDMKHQONSA-N 2 2 234.347 0.807 20 0 BCADLP CCn1ncnc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000639190767 354417377 /nfs/dbraw/zinc/41/73/77/354417377.db2.gz CHSHAQWYWMGTDL-SECBINFHSA-N 2 2 246.318 0.668 20 0 BCADLP CCn1ncnc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000639190767 354417379 /nfs/dbraw/zinc/41/73/79/354417379.db2.gz CHSHAQWYWMGTDL-SECBINFHSA-N 2 2 246.318 0.668 20 0 BCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCC[NH2+]CC1 ZINC000334660934 354460085 /nfs/dbraw/zinc/46/00/85/354460085.db2.gz YAKZBOIJMPHCCY-NSHDSACASA-N 2 2 227.352 0.537 20 0 BCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCC[NH2+]CC1 ZINC000334660934 354460087 /nfs/dbraw/zinc/46/00/87/354460087.db2.gz YAKZBOIJMPHCCY-NSHDSACASA-N 2 2 227.352 0.537 20 0 BCADLP CC(C)[N@H+](C)CC(=O)Nc1cc[nH+]cc1O ZINC000345357268 354628829 /nfs/dbraw/zinc/62/88/29/354628829.db2.gz DLSFDZYCRWBODB-UHFFFAOYSA-N 2 2 223.276 0.488 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)Nc1cc[nH+]cc1O ZINC000345357268 354628831 /nfs/dbraw/zinc/62/88/31/354628831.db2.gz DLSFDZYCRWBODB-UHFFFAOYSA-N 2 2 223.276 0.488 20 0 BCADLP C[C@@H](CC(=O)N[C@@H]1CCC[NH2+]C1)n1cc[nH+]c1 ZINC000578079053 366228113 /nfs/dbraw/zinc/22/81/13/366228113.db2.gz SBORXZSJXDMFTC-WDEREUQCSA-N 2 2 236.319 0.702 20 0 BCADLP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC[NH3+])C1 ZINC000345550274 354711124 /nfs/dbraw/zinc/71/11/24/354711124.db2.gz GWXVFSNBAFPMIV-VXGBXAGGSA-N 2 2 241.379 0.962 20 0 BCADLP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC[NH3+])C1 ZINC000345550274 354711126 /nfs/dbraw/zinc/71/11/26/354711126.db2.gz GWXVFSNBAFPMIV-VXGBXAGGSA-N 2 2 241.379 0.962 20 0 BCADLP C[C@@H](C[NH2+]C1CCC(O)CC1)[NH+](C)C ZINC000235109361 363437470 /nfs/dbraw/zinc/43/74/70/363437470.db2.gz IHPPBSWOBOBUCO-WHXUTIOJSA-N 2 2 200.326 0.830 20 0 BCADLP NC(=O)C[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000346271483 354886368 /nfs/dbraw/zinc/88/63/68/354886368.db2.gz DHWFMOFTULFTOC-NSHDSACASA-N 2 2 236.319 0.471 20 0 BCADLP NC(=O)C[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000346271483 354886370 /nfs/dbraw/zinc/88/63/70/354886370.db2.gz DHWFMOFTULFTOC-NSHDSACASA-N 2 2 236.319 0.471 20 0 BCADLP COC(=O)C(C)(C)[N@H+](C)CCn1cc[nH+]c1 ZINC000346304945 354890929 /nfs/dbraw/zinc/89/09/29/354890929.db2.gz CWSJXKLYSIVSBA-UHFFFAOYSA-N 2 2 225.292 0.767 20 0 BCADLP COC(=O)C(C)(C)[N@@H+](C)CCn1cc[nH+]c1 ZINC000346304945 354890932 /nfs/dbraw/zinc/89/09/32/354890932.db2.gz CWSJXKLYSIVSBA-UHFFFAOYSA-N 2 2 225.292 0.767 20 0 BCADLP Cc1ccc(NC(=O)NC2C[NH2+]C2)c(C)[nH+]1 ZINC000335166339 354924223 /nfs/dbraw/zinc/92/42/23/354924223.db2.gz ISVHOVMPVAIXEC-UHFFFAOYSA-N 2 2 220.276 0.792 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000346556503 354967491 /nfs/dbraw/zinc/96/74/91/354967491.db2.gz XYEFYWARAVREMZ-CHWSQXEVSA-N 2 2 244.379 0.705 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000346556503 354967493 /nfs/dbraw/zinc/96/74/93/354967493.db2.gz XYEFYWARAVREMZ-CHWSQXEVSA-N 2 2 244.379 0.705 20 0 BCADLP C[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)CC[N@@H+]1C ZINC000639224802 354984109 /nfs/dbraw/zinc/98/41/09/354984109.db2.gz QLWSMQFVIVBHBR-AXFHLTTASA-N 2 2 225.336 0.337 20 0 BCADLP C[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)CC[N@H+]1C ZINC000639224802 354984112 /nfs/dbraw/zinc/98/41/12/354984112.db2.gz QLWSMQFVIVBHBR-AXFHLTTASA-N 2 2 225.336 0.337 20 0 BCADLP CC[C@H]1C[N@H+](CC(=O)NC(C)(C)C)CC[C@@H]1[NH3+] ZINC000147524551 491071280 /nfs/dbraw/zinc/07/12/80/491071280.db2.gz MZZZNLJJMBLRGG-QWRGUYRKSA-N 2 2 241.379 0.960 20 0 BCADLP CC[C@H]1C[N@@H+](CC(=O)NC(C)(C)C)CC[C@@H]1[NH3+] ZINC000147524551 491071281 /nfs/dbraw/zinc/07/12/81/491071281.db2.gz MZZZNLJJMBLRGG-QWRGUYRKSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@]1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CC[NH2+]C1 ZINC000530244743 324555377 /nfs/dbraw/zinc/55/53/77/324555377.db2.gz NCVGULUYRJMSIV-RYUDHWBXSA-N 3 2 223.364 0.860 20 0 BCADLP O=C(Nc1ccn2cc[nH+]c2c1)NC1C[NH2+]C1 ZINC000335214045 355052001 /nfs/dbraw/zinc/05/20/01/355052001.db2.gz LSKJMJFWBFXAHE-UHFFFAOYSA-N 2 2 231.259 0.428 20 0 BCADLP Cc1ncc(C[NH2+]C2CC[NH+](C)CC2)c(=O)[nH]1 ZINC000346807807 355110958 /nfs/dbraw/zinc/11/09/58/355110958.db2.gz MKIDHLWOSVSEEZ-UHFFFAOYSA-N 2 2 236.319 0.674 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H]2CC[NH2+]C2(C)C)c[nH+]1 ZINC000335232281 355093235 /nfs/dbraw/zinc/09/32/35/355093235.db2.gz PIUSISTVNSHCHG-VIFPVBQESA-N 2 2 222.292 0.588 20 0 BCADLP CCC(=O)N[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000346846519 355135973 /nfs/dbraw/zinc/13/59/73/355135973.db2.gz LDJXBEMRXOQZRP-SNVBAGLBSA-N 2 2 227.352 0.714 20 0 BCADLP CCC(=O)N[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000346846519 355135975 /nfs/dbraw/zinc/13/59/75/355135975.db2.gz LDJXBEMRXOQZRP-SNVBAGLBSA-N 2 2 227.352 0.714 20 0 BCADLP CO[C@@H]1CC[C@H]2OCC[N@H+](CC(C)(C)[NH3+])[C@@H]2C1 ZINC000346966006 355173487 /nfs/dbraw/zinc/17/34/87/355173487.db2.gz CJYJMPOGHZFFLK-IJLUTSLNSA-N 2 2 242.363 0.992 20 0 BCADLP CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(C)(C)[NH3+])[C@@H]2C1 ZINC000346966006 355173492 /nfs/dbraw/zinc/17/34/92/355173492.db2.gz CJYJMPOGHZFFLK-IJLUTSLNSA-N 2 2 242.363 0.992 20 0 BCADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NC ZINC000639241697 355227818 /nfs/dbraw/zinc/22/78/18/355227818.db2.gz LMVFWIQIGKWRHI-AXFHLTTASA-N 2 2 227.352 0.583 20 0 BCADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)NC ZINC000639241697 355227821 /nfs/dbraw/zinc/22/78/21/355227821.db2.gz LMVFWIQIGKWRHI-AXFHLTTASA-N 2 2 227.352 0.583 20 0 BCADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(=O)NC ZINC000639241699 355228293 /nfs/dbraw/zinc/22/82/93/355228293.db2.gz LMVFWIQIGKWRHI-MXWKQRLJSA-N 2 2 227.352 0.583 20 0 BCADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)NC ZINC000639241699 355228297 /nfs/dbraw/zinc/22/82/97/355228297.db2.gz LMVFWIQIGKWRHI-MXWKQRLJSA-N 2 2 227.352 0.583 20 0 BCADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@H](O)C2)s1 ZINC000347608766 355234182 /nfs/dbraw/zinc/23/41/82/355234182.db2.gz JTKVYNCZTZYTFY-VIFPVBQESA-N 2 2 241.360 0.771 20 0 BCADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@H](O)C2)s1 ZINC000347608766 355234185 /nfs/dbraw/zinc/23/41/85/355234185.db2.gz JTKVYNCZTZYTFY-VIFPVBQESA-N 2 2 241.360 0.771 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113513155 355249181 /nfs/dbraw/zinc/24/91/81/355249181.db2.gz JMKAFWIIAGTBPQ-NSHDSACASA-N 2 2 227.352 0.395 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113513155 355249184 /nfs/dbraw/zinc/24/91/84/355249184.db2.gz JMKAFWIIAGTBPQ-NSHDSACASA-N 2 2 227.352 0.395 20 0 BCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000335281007 355270208 /nfs/dbraw/zinc/27/02/08/355270208.db2.gz MBAUUFYTULTDCE-MNOVXSKESA-N 2 2 248.330 0.525 20 0 BCADLP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353241184 355463224 /nfs/dbraw/zinc/46/32/24/355463224.db2.gz LFSHVEIDZABMBQ-NRUUGDAUSA-N 2 2 234.347 0.807 20 0 BCADLP [NH2+]=C(NO)[C@@H]1CCCCN1Cc1c[nH+]c[nH]1 ZINC000366446958 181200294 /nfs/dbraw/zinc/20/02/94/181200294.db2.gz BPDIJSADOUGHMH-VIFPVBQESA-N 2 2 223.280 0.720 20 0 BCADLP [NH2+]=C(NO)[C@@H]1CCCCN1Cc1c[nH]c[nH+]1 ZINC000366446958 181200295 /nfs/dbraw/zinc/20/02/95/181200295.db2.gz BPDIJSADOUGHMH-VIFPVBQESA-N 2 2 223.280 0.720 20 0 BCADLP [NH2+]=C(NO)[C@H]1CCCCN1Cc1c[nH+]c[nH]1 ZINC000366446954 181200365 /nfs/dbraw/zinc/20/03/65/181200365.db2.gz BPDIJSADOUGHMH-SECBINFHSA-N 2 2 223.280 0.720 20 0 BCADLP [NH2+]=C(NO)[C@H]1CCCCN1Cc1c[nH]c[nH+]1 ZINC000366446954 181200366 /nfs/dbraw/zinc/20/03/66/181200366.db2.gz BPDIJSADOUGHMH-SECBINFHSA-N 2 2 223.280 0.720 20 0 BCADLP Cc1cc(NC(=O)N[C@@H](C)CC[NH3+])cc[nH+]1 ZINC000415405721 191693253 /nfs/dbraw/zinc/69/32/53/191693253.db2.gz YZWWXDKQIQIHHZ-QMMMGPOBSA-N 2 2 222.292 0.671 20 0 BCADLP C[C@H](CC[NH3+])NC(=O)c1ccc2[nH+]ccn2c1 ZINC000349987189 355570813 /nfs/dbraw/zinc/57/08/13/355570813.db2.gz KLFMJGUXOTWZJV-SECBINFHSA-N 2 2 232.287 0.801 20 0 BCADLP CO[C@H](C[N@H+](C)CC1C[NH+](C)C1)[C@@H]1CCOC1 ZINC000639308585 355664117 /nfs/dbraw/zinc/66/41/17/355664117.db2.gz DZQZZFCKONWTNK-CHWSQXEVSA-N 2 2 242.363 0.531 20 0 BCADLP CO[C@H](C[N@@H+](C)CC1C[NH+](C)C1)[C@@H]1CCOC1 ZINC000639308585 355664121 /nfs/dbraw/zinc/66/41/21/355664121.db2.gz DZQZZFCKONWTNK-CHWSQXEVSA-N 2 2 242.363 0.531 20 0 BCADLP O=C(CCCn1cc[nH+]c1)NCCn1cc[nH+]c1 ZINC000623245296 355716754 /nfs/dbraw/zinc/71/67/54/355716754.db2.gz IGHXYPSEAPHCFV-UHFFFAOYSA-N 2 2 247.302 0.676 20 0 BCADLP C[C@H]([NH3+])[C@H](C)C(=O)NCCNc1cccc[nH+]1 ZINC000584349021 355804392 /nfs/dbraw/zinc/80/43/92/355804392.db2.gz XYCIQIXHBAAKFR-UWVGGRQHSA-N 2 2 236.319 0.593 20 0 BCADLP C[C@@H](O)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000520423481 355920576 /nfs/dbraw/zinc/92/05/76/355920576.db2.gz AORRKILSTSQAJZ-SNVBAGLBSA-N 2 2 224.308 0.303 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1C ZINC000383607161 355885657 /nfs/dbraw/zinc/88/56/57/355885657.db2.gz RSNVBXLDSBBPOJ-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1C ZINC000383607161 355885660 /nfs/dbraw/zinc/88/56/60/355885660.db2.gz RSNVBXLDSBBPOJ-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1C ZINC000383607161 355885661 /nfs/dbraw/zinc/88/56/61/355885661.db2.gz RSNVBXLDSBBPOJ-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1C ZINC000383607161 355885662 /nfs/dbraw/zinc/88/56/62/355885662.db2.gz RSNVBXLDSBBPOJ-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP CCn1c(C)nnc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351480229 355996043 /nfs/dbraw/zinc/99/60/43/355996043.db2.gz UVXFOPNEAGBZSP-QJPTWQEYSA-N 2 2 249.362 0.776 20 0 BCADLP CCn1c(C)nnc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351480229 355996049 /nfs/dbraw/zinc/99/60/49/355996049.db2.gz UVXFOPNEAGBZSP-QJPTWQEYSA-N 2 2 249.362 0.776 20 0 BCADLP C[C@H]1CC[N@H+](CC(=O)NCc2c[nH+]cn2C)C1 ZINC000583640403 355946217 /nfs/dbraw/zinc/94/62/17/355946217.db2.gz JUHAQBUAOIMUNJ-JTQLQIEISA-N 2 2 236.319 0.378 20 0 BCADLP C[C@H]1CC[N@@H+](CC(=O)NCc2c[nH+]cn2C)C1 ZINC000583640403 355946219 /nfs/dbraw/zinc/94/62/19/355946219.db2.gz JUHAQBUAOIMUNJ-JTQLQIEISA-N 2 2 236.319 0.378 20 0 BCADLP Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C2 ZINC000167156769 355961805 /nfs/dbraw/zinc/96/18/05/355961805.db2.gz QQKQPNBEJVXOLC-QWRGUYRKSA-N 2 2 248.330 0.375 20 0 BCADLP NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109792468 181230368 /nfs/dbraw/zinc/23/03/68/181230368.db2.gz NQZPECRBPMTLCE-UHFFFAOYSA-N 2 2 208.265 0.005 20 0 BCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623261568 356148715 /nfs/dbraw/zinc/14/87/15/356148715.db2.gz XHUFNOJRWYXOOV-JQWIXIFHSA-N 2 2 248.330 0.408 20 0 BCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623261568 356148719 /nfs/dbraw/zinc/14/87/19/356148719.db2.gz XHUFNOJRWYXOOV-JQWIXIFHSA-N 2 2 248.330 0.408 20 0 BCADLP CC[C@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)[NH+](C)C ZINC000623263976 356227799 /nfs/dbraw/zinc/22/77/99/356227799.db2.gz BZFOHNXEVBZKHX-MWLCHTKSSA-N 2 2 236.319 0.264 20 0 BCADLP CCNC(=O)C[N@H+](C)CCc1c[nH+]cn1C ZINC000639455331 356240475 /nfs/dbraw/zinc/24/04/75/356240475.db2.gz OKWOLSGEAQFZJY-UHFFFAOYSA-N 2 2 224.308 0.031 20 0 BCADLP CCNC(=O)C[N@@H+](C)CCc1c[nH+]cn1C ZINC000639455331 356240479 /nfs/dbraw/zinc/24/04/79/356240479.db2.gz OKWOLSGEAQFZJY-UHFFFAOYSA-N 2 2 224.308 0.031 20 0 BCADLP Cn1c[nH+]cc1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000639457225 356242044 /nfs/dbraw/zinc/24/20/44/356242044.db2.gz QSEGXHYFPOAKBG-QWRGUYRKSA-N 3 2 220.320 0.114 20 0 BCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCCF ZINC000617763172 356325865 /nfs/dbraw/zinc/32/58/65/356325865.db2.gz IEMKNWRTAWRTSD-UHFFFAOYSA-N 2 2 247.358 0.736 20 0 BCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCCF ZINC000617763172 356325867 /nfs/dbraw/zinc/32/58/67/356325867.db2.gz IEMKNWRTAWRTSD-UHFFFAOYSA-N 2 2 247.358 0.736 20 0 BCADLP [NH3+]CC[N@H+](CCO)CCCc1ccsc1 ZINC000420299313 192207521 /nfs/dbraw/zinc/20/75/21/192207521.db2.gz ARLYEKUOEZXVKT-UHFFFAOYSA-N 2 2 228.361 0.934 20 0 BCADLP [NH3+]CC[N@@H+](CCO)CCCc1ccsc1 ZINC000420299313 192207522 /nfs/dbraw/zinc/20/75/22/192207522.db2.gz ARLYEKUOEZXVKT-UHFFFAOYSA-N 2 2 228.361 0.934 20 0 BCADLP CC(C)OC(=O)CC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000420280632 192198219 /nfs/dbraw/zinc/19/82/19/192198219.db2.gz YRTSVXCXFAZGDY-JTQLQIEISA-N 2 2 214.309 0.751 20 0 BCADLP CC(C)OC(=O)CC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000420280632 192198222 /nfs/dbraw/zinc/19/82/22/192198222.db2.gz YRTSVXCXFAZGDY-JTQLQIEISA-N 2 2 214.309 0.751 20 0 BCADLP C[NH2+][C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420274978 192198759 /nfs/dbraw/zinc/19/87/59/192198759.db2.gz PPKSBFKVDHUDNY-RYUDHWBXSA-N 3 2 211.353 0.670 20 0 BCADLP C[NH2+][C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420274978 192198760 /nfs/dbraw/zinc/19/87/60/192198760.db2.gz PPKSBFKVDHUDNY-RYUDHWBXSA-N 3 2 211.353 0.670 20 0 BCADLP CC(C)OC(=O)CC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000420281521 192199842 /nfs/dbraw/zinc/19/98/42/192199842.db2.gz AAAWQFPQSNQJBY-SNVBAGLBSA-N 2 2 214.309 0.751 20 0 BCADLP CC(C)OC(=O)CC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000420281521 192199845 /nfs/dbraw/zinc/19/98/45/192199845.db2.gz AAAWQFPQSNQJBY-SNVBAGLBSA-N 2 2 214.309 0.751 20 0 BCADLP C[C@@H](CCNC(=O)CCn1cc[nH+]c1)[NH+](C)C ZINC000617752824 356312191 /nfs/dbraw/zinc/31/21/91/356312191.db2.gz VHUVOJLKMSCUGN-NSHDSACASA-N 2 2 238.335 0.730 20 0 BCADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH+](C)C ZINC000617753346 356312319 /nfs/dbraw/zinc/31/23/19/356312319.db2.gz AOYLXEYBNSQVJN-SNVBAGLBSA-N 2 2 224.308 0.340 20 0 BCADLP CCOC(=O)CC[N@@H+]1CCC[C@@H]1C[NH2+]C ZINC000420289196 192201058 /nfs/dbraw/zinc/20/10/58/192201058.db2.gz JWJYFSYRMVPYMF-SNVBAGLBSA-N 2 2 214.309 0.623 20 0 BCADLP CCOC(=O)CC[N@H+]1CCC[C@@H]1C[NH2+]C ZINC000420289196 192201061 /nfs/dbraw/zinc/20/10/61/192201061.db2.gz JWJYFSYRMVPYMF-SNVBAGLBSA-N 2 2 214.309 0.623 20 0 BCADLP Cc1cc(C)c(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c(C)[nH+]1 ZINC000639508298 356334158 /nfs/dbraw/zinc/33/41/58/356334158.db2.gz PFTSARSMNOGAQN-BETUJISGSA-N 2 2 236.315 0.544 20 0 BCADLP Cc1cc(C)c(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c(C)[nH+]1 ZINC000639508298 356334160 /nfs/dbraw/zinc/33/41/60/356334160.db2.gz PFTSARSMNOGAQN-BETUJISGSA-N 2 2 236.315 0.544 20 0 BCADLP CN(C)C(=O)CC[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000420318017 192215211 /nfs/dbraw/zinc/21/52/11/192215211.db2.gz NPJJNZKBGNKAPU-NSHDSACASA-N 2 2 225.336 0.291 20 0 BCADLP CN(C)C(=O)CC[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000420318017 192215212 /nfs/dbraw/zinc/21/52/12/192215212.db2.gz NPJJNZKBGNKAPU-NSHDSACASA-N 2 2 225.336 0.291 20 0 BCADLP CN(CC1CC1)C(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000420342412 192215866 /nfs/dbraw/zinc/21/58/66/192215866.db2.gz VYHKHMMWMSJSGC-UHFFFAOYSA-N 2 2 225.336 0.276 20 0 BCADLP CN(CC1CC1)C(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000420342412 192215869 /nfs/dbraw/zinc/21/58/69/192215869.db2.gz VYHKHMMWMSJSGC-UHFFFAOYSA-N 2 2 225.336 0.276 20 0 BCADLP CO[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639510613 356344264 /nfs/dbraw/zinc/34/42/64/356344264.db2.gz GEUAAHHUCYPLHX-NSHDSACASA-N 2 2 209.293 0.683 20 0 BCADLP CO[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639510613 356344265 /nfs/dbraw/zinc/34/42/65/356344265.db2.gz GEUAAHHUCYPLHX-NSHDSACASA-N 2 2 209.293 0.683 20 0 BCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420351622 192217195 /nfs/dbraw/zinc/21/71/95/192217195.db2.gz AAQYGIKHZVYONZ-GMTAPVOTSA-N 2 2 227.352 0.521 20 0 BCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420351622 192217196 /nfs/dbraw/zinc/21/71/96/192217196.db2.gz AAQYGIKHZVYONZ-GMTAPVOTSA-N 2 2 227.352 0.521 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)C[C@@H]1CCOC1 ZINC000639510696 356344791 /nfs/dbraw/zinc/34/47/91/356344791.db2.gz CUKSMYCWXBDTAP-NSHDSACASA-N 2 2 223.320 0.931 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)C[C@@H]1CCOC1 ZINC000639510696 356344794 /nfs/dbraw/zinc/34/47/94/356344794.db2.gz CUKSMYCWXBDTAP-NSHDSACASA-N 2 2 223.320 0.931 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CCC[C@H]([NH2+]C)C1 ZINC000420304743 192208592 /nfs/dbraw/zinc/20/85/92/192208592.db2.gz YKVYUYGTJAFHII-NSHDSACASA-N 2 2 227.352 0.539 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CCC[C@H]([NH2+]C)C1 ZINC000420304743 192208593 /nfs/dbraw/zinc/20/85/93/192208593.db2.gz YKVYUYGTJAFHII-NSHDSACASA-N 2 2 227.352 0.539 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCOCC(F)F ZINC000420357100 192218890 /nfs/dbraw/zinc/21/88/90/192218890.db2.gz RTAZSLRUAMKVGM-YUMQZZPRSA-N 2 2 208.252 0.690 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCOCC(F)F ZINC000420357100 192218892 /nfs/dbraw/zinc/21/88/92/192218892.db2.gz RTAZSLRUAMKVGM-YUMQZZPRSA-N 2 2 208.252 0.690 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](CC(N)=O)C(C)(C)C ZINC000639519746 356364279 /nfs/dbraw/zinc/36/42/79/356364279.db2.gz OOZBHWMBOHZPSO-UHFFFAOYSA-N 2 2 238.335 0.548 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](CC(N)=O)C(C)(C)C ZINC000639519746 356364280 /nfs/dbraw/zinc/36/42/80/356364280.db2.gz OOZBHWMBOHZPSO-UHFFFAOYSA-N 2 2 238.335 0.548 20 0 BCADLP C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000420369374 192225923 /nfs/dbraw/zinc/22/59/23/192225923.db2.gz ITDAKZRLBGEOGP-GHMZBOCLSA-N 2 2 216.325 0.332 20 0 BCADLP C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000420369374 192225924 /nfs/dbraw/zinc/22/59/24/192225924.db2.gz ITDAKZRLBGEOGP-GHMZBOCLSA-N 2 2 216.325 0.332 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420370485 192226840 /nfs/dbraw/zinc/22/68/40/192226840.db2.gz VZDJAMBOXDCSBJ-SNVBAGLBSA-N 2 2 229.368 0.818 20 0 BCADLP CCCCCNC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000420323042 192228375 /nfs/dbraw/zinc/22/83/75/192228375.db2.gz XPRBEBKOMNQGTF-ZDUSSCGKSA-N 2 2 241.379 0.964 20 0 BCADLP CCCCCNC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000420323042 192228378 /nfs/dbraw/zinc/22/83/78/192228378.db2.gz XPRBEBKOMNQGTF-ZDUSSCGKSA-N 2 2 241.379 0.964 20 0 BCADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)N1CCCCC1 ZINC000420370488 192228583 /nfs/dbraw/zinc/22/85/83/192228583.db2.gz VZUYOYKDWRONLR-LLVKDONJSA-N 2 2 241.379 0.962 20 0 BCADLP CC(C)N1CCC[C@H]([N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)C1=O ZINC000420355847 192219146 /nfs/dbraw/zinc/21/91/46/192219146.db2.gz COPSZOOGUFQQBV-UTUOFQBUSA-N 2 2 239.363 0.665 20 0 BCADLP CC(C)N1CCC[C@H]([N@H+]2C[C@@H](C)[C@H]([NH3+])C2)C1=O ZINC000420355847 192219148 /nfs/dbraw/zinc/21/91/48/192219148.db2.gz COPSZOOGUFQQBV-UTUOFQBUSA-N 2 2 239.363 0.665 20 0 BCADLP CCOC(=O)CC1CC[NH+](CC[NH3+])CC1 ZINC000420355774 192219974 /nfs/dbraw/zinc/21/99/74/192219974.db2.gz FWMAVJFKWFESJE-UHFFFAOYSA-N 2 2 214.309 0.610 20 0 BCADLP CCOC(=O)[C@@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000420361967 192221726 /nfs/dbraw/zinc/22/17/26/192221726.db2.gz NVCKJIRKLOHYKY-NXEZZACHSA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)[C@@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000420361967 192221729 /nfs/dbraw/zinc/22/17/29/192221729.db2.gz NVCKJIRKLOHYKY-NXEZZACHSA-N 2 2 214.309 0.609 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)OC ZINC000420361624 192222635 /nfs/dbraw/zinc/22/26/35/192222635.db2.gz NJOCBAPULFRBBY-VIFPVBQESA-N 2 2 200.282 0.233 20 0 BCADLP C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)OC ZINC000420361624 192222637 /nfs/dbraw/zinc/22/26/37/192222637.db2.gz NJOCBAPULFRBBY-VIFPVBQESA-N 2 2 200.282 0.233 20 0 BCADLP CCOC(=O)[C@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000420361974 192222685 /nfs/dbraw/zinc/22/26/85/192222685.db2.gz NVCKJIRKLOHYKY-ZJUUUORDSA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)[C@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000420361974 192222687 /nfs/dbraw/zinc/22/26/87/192222687.db2.gz NVCKJIRKLOHYKY-ZJUUUORDSA-N 2 2 214.309 0.609 20 0 BCADLP C[NH2+]CCCN(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000420380073 192234251 /nfs/dbraw/zinc/23/42/51/192234251.db2.gz BRUPWULHKJDVBU-LBPRGKRZSA-N 2 2 229.368 0.248 20 0 BCADLP COC(=O)CC1(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000420382631 192234451 /nfs/dbraw/zinc/23/44/51/192234451.db2.gz SITOABRAJFBKEO-NXEZZACHSA-N 2 2 226.320 0.609 20 0 BCADLP COC(=O)CC1(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000420382631 192234453 /nfs/dbraw/zinc/23/44/53/192234453.db2.gz SITOABRAJFBKEO-NXEZZACHSA-N 2 2 226.320 0.609 20 0 BCADLP C[N@H+](CC[NH3+])CCOCC(F)(F)C(F)F ZINC000420382352 192234496 /nfs/dbraw/zinc/23/44/96/192234496.db2.gz PROKVXKYWFTFHI-UHFFFAOYSA-N 2 2 232.221 0.794 20 0 BCADLP C[N@@H+](CC[NH3+])CCOCC(F)(F)C(F)F ZINC000420382352 192234497 /nfs/dbraw/zinc/23/44/97/192234497.db2.gz PROKVXKYWFTFHI-UHFFFAOYSA-N 2 2 232.221 0.794 20 0 BCADLP CCC[C@](C)([NH2+]CCOCC[NH3+])C(=O)OC ZINC000420382156 192235508 /nfs/dbraw/zinc/23/55/08/192235508.db2.gz YLXTZNMEVQKFRQ-NSHDSACASA-N 2 2 232.324 0.283 20 0 BCADLP C[NH2+]CCC[N@H+](C)[C@@H]1CCN(C(C)C)C1=O ZINC000420386786 192235556 /nfs/dbraw/zinc/23/55/56/192235556.db2.gz ITUNNTSHXOQQSC-LLVKDONJSA-N 2 2 227.352 0.537 20 0 BCADLP C[NH2+]CCC[N@@H+](C)[C@@H]1CCN(C(C)C)C1=O ZINC000420386786 192235557 /nfs/dbraw/zinc/23/55/57/192235557.db2.gz ITUNNTSHXOQQSC-LLVKDONJSA-N 2 2 227.352 0.537 20 0 BCADLP COC1CC([N@H+](C)CCn2cc[nH+]c2)C1 ZINC000352202821 134102333 /nfs/dbraw/zinc/10/23/33/134102333.db2.gz MOQTXGAGYWJCJW-UHFFFAOYSA-N 2 2 209.293 0.992 20 0 BCADLP COC1CC([N@@H+](C)CCn2cc[nH+]c2)C1 ZINC000352202821 134102334 /nfs/dbraw/zinc/10/23/34/134102334.db2.gz MOQTXGAGYWJCJW-UHFFFAOYSA-N 2 2 209.293 0.992 20 0 BCADLP C[NH2+]CCC[N@H+](C)CC(=O)N(C)CC1CC1 ZINC000420397697 192238154 /nfs/dbraw/zinc/23/81/54/192238154.db2.gz XXARYGQAIYWVCA-UHFFFAOYSA-N 2 2 227.352 0.396 20 0 BCADLP C[NH2+]CCC[N@@H+](C)CC(=O)N(C)CC1CC1 ZINC000420397697 192238156 /nfs/dbraw/zinc/23/81/56/192238156.db2.gz XXARYGQAIYWVCA-UHFFFAOYSA-N 2 2 227.352 0.396 20 0 BCADLP C[C@@H]1C[N@H+](CCC(=O)Nc2cccnc2)C[C@H]1[NH3+] ZINC000420371845 192242132 /nfs/dbraw/zinc/24/21/32/192242132.db2.gz MARVMLOIJNKEFF-ZYHUDNBSSA-N 2 2 248.330 0.689 20 0 BCADLP C[C@@H]1C[N@@H+](CCC(=O)Nc2cccnc2)C[C@H]1[NH3+] ZINC000420371845 192242136 /nfs/dbraw/zinc/24/21/36/192242136.db2.gz MARVMLOIJNKEFF-ZYHUDNBSSA-N 2 2 248.330 0.689 20 0 BCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000420375140 192231436 /nfs/dbraw/zinc/23/14/36/192231436.db2.gz SQMSBZPGIOZZKZ-SCVCMEIPSA-N 2 2 241.379 0.877 20 0 BCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000420375139 192231910 /nfs/dbraw/zinc/23/19/10/192231910.db2.gz SQMSBZPGIOZZKZ-JFGNBEQYSA-N 2 2 241.379 0.877 20 0 BCADLP CC[C@@H](C)[N@H+](CCC[NH2+]C)CC(=O)OC ZINC000420380475 192233122 /nfs/dbraw/zinc/23/31/22/192233122.db2.gz WVBXZOGWOAQPQS-SNVBAGLBSA-N 2 2 216.325 0.869 20 0 BCADLP CC[C@@H](C)[N@@H+](CCC[NH2+]C)CC(=O)OC ZINC000420380475 192233125 /nfs/dbraw/zinc/23/31/25/192233125.db2.gz WVBXZOGWOAQPQS-SNVBAGLBSA-N 2 2 216.325 0.869 20 0 BCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1CCc1c[nH+]cn1C ZINC000639559021 356465112 /nfs/dbraw/zinc/46/51/12/356465112.db2.gz NMGDEYGZRHNTSX-NWDGAFQWSA-N 2 2 236.363 0.987 20 0 BCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1CCc1c[nH+]cn1C ZINC000639559021 356465114 /nfs/dbraw/zinc/46/51/14/356465114.db2.gz NMGDEYGZRHNTSX-NWDGAFQWSA-N 2 2 236.363 0.987 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1CCc1c[nH+]cn1C ZINC000639557563 356461778 /nfs/dbraw/zinc/46/17/78/356461778.db2.gz JPFGUINCUYQLDM-VXGBXAGGSA-N 2 2 236.363 0.987 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1CCc1c[nH+]cn1C ZINC000639557563 356461780 /nfs/dbraw/zinc/46/17/80/356461780.db2.gz JPFGUINCUYQLDM-VXGBXAGGSA-N 2 2 236.363 0.987 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000019843085 356486033 /nfs/dbraw/zinc/48/60/33/356486033.db2.gz DSPWPBZIQUAQBV-LLVKDONJSA-N 2 2 227.352 0.429 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000019843085 356486036 /nfs/dbraw/zinc/48/60/36/356486036.db2.gz DSPWPBZIQUAQBV-LLVKDONJSA-N 2 2 227.352 0.429 20 0 BCADLP NC(=O)[C@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1 ZINC000342143346 181277870 /nfs/dbraw/zinc/27/78/70/181277870.db2.gz SOMSMLQHXDNTQW-LLVKDONJSA-N 2 2 233.315 0.684 20 0 BCADLP CC[NH+]1CCN(CCNc2cc(C)[nH+]cn2)CC1 ZINC000301222891 356511920 /nfs/dbraw/zinc/51/19/20/356511920.db2.gz BRHCZZPTAPSQLD-UHFFFAOYSA-N 2 2 249.362 0.834 20 0 BCADLP C[C@H](O)[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639574922 356497851 /nfs/dbraw/zinc/49/78/51/356497851.db2.gz XHZMDXKFZKXWSE-QWRGUYRKSA-N 2 2 223.320 0.665 20 0 BCADLP C[C@H](O)[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639574922 356497854 /nfs/dbraw/zinc/49/78/54/356497854.db2.gz XHZMDXKFZKXWSE-QWRGUYRKSA-N 2 2 223.320 0.665 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@]1(C)CO ZINC000639585390 356508090 /nfs/dbraw/zinc/50/80/90/356508090.db2.gz DTYUJSYRMQTZJA-LBPRGKRZSA-N 2 2 223.320 0.809 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@]1(C)CO ZINC000639585390 356508093 /nfs/dbraw/zinc/50/80/93/356508093.db2.gz DTYUJSYRMQTZJA-LBPRGKRZSA-N 2 2 223.320 0.809 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@]1(C)CO ZINC000639585389 356508216 /nfs/dbraw/zinc/50/82/16/356508216.db2.gz DTYUJSYRMQTZJA-GFCCVEGCSA-N 2 2 223.320 0.809 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@]1(C)CO ZINC000639585389 356508219 /nfs/dbraw/zinc/50/82/19/356508219.db2.gz DTYUJSYRMQTZJA-GFCCVEGCSA-N 2 2 223.320 0.809 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)CCCCO ZINC000639607101 356527803 /nfs/dbraw/zinc/52/78/03/356527803.db2.gz QLADTITXQYKDSB-UHFFFAOYSA-N 2 2 211.309 0.667 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)CCCCO ZINC000639607101 356527808 /nfs/dbraw/zinc/52/78/08/356527808.db2.gz QLADTITXQYKDSB-UHFFFAOYSA-N 2 2 211.309 0.667 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000639596920 356515490 /nfs/dbraw/zinc/51/54/90/356515490.db2.gz ZYZQVFRBKAEPNA-LBPRGKRZSA-N 2 2 246.318 0.501 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](n2cncn2)C1 ZINC000639596920 356515492 /nfs/dbraw/zinc/51/54/92/356515492.db2.gz ZYZQVFRBKAEPNA-LBPRGKRZSA-N 2 2 246.318 0.501 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000639615923 356534146 /nfs/dbraw/zinc/53/41/46/356534146.db2.gz VEKBXSFOUSWTQF-CYBMUJFWSA-N 2 2 248.330 0.175 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000639615923 356534150 /nfs/dbraw/zinc/53/41/50/356534150.db2.gz VEKBXSFOUSWTQF-CYBMUJFWSA-N 2 2 248.330 0.175 20 0 BCADLP CC(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000639660917 356570748 /nfs/dbraw/zinc/57/07/48/356570748.db2.gz WRICZPGKIBKETJ-GFCCVEGCSA-N 2 2 210.321 0.993 20 0 BCADLP CC(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000639660917 356570751 /nfs/dbraw/zinc/57/07/51/356570751.db2.gz WRICZPGKIBKETJ-GFCCVEGCSA-N 2 2 210.321 0.993 20 0 BCADLP CC(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000639660917 356570759 /nfs/dbraw/zinc/57/07/59/356570759.db2.gz WRICZPGKIBKETJ-GFCCVEGCSA-N 2 2 210.321 0.993 20 0 BCADLP C[C@H](O)[C@H]1C[N@H+](CCc2c[nH+]cn2C)CCO1 ZINC000639674136 356590705 /nfs/dbraw/zinc/59/07/05/356590705.db2.gz QZWUWHXJOSKNCV-CMPLNLGQSA-N 2 2 239.319 0.044 20 0 BCADLP C[C@H](O)[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CCO1 ZINC000639674136 356590708 /nfs/dbraw/zinc/59/07/08/356590708.db2.gz QZWUWHXJOSKNCV-CMPLNLGQSA-N 2 2 239.319 0.044 20 0 BCADLP C[C@@H](O)[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CCO1 ZINC000639674140 356590932 /nfs/dbraw/zinc/59/09/32/356590932.db2.gz QZWUWHXJOSKNCV-PWSUYJOCSA-N 2 2 239.319 0.044 20 0 BCADLP C[C@@H](O)[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CCO1 ZINC000639674140 356590935 /nfs/dbraw/zinc/59/09/35/356590935.db2.gz QZWUWHXJOSKNCV-PWSUYJOCSA-N 2 2 239.319 0.044 20 0 BCADLP C[C@@H]1[C@H](O)CC[N@@H+]1CCc1c[nH+]cn1C ZINC000639666142 356580471 /nfs/dbraw/zinc/58/04/71/356580471.db2.gz PFAIODMTBOYYII-MWLCHTKSSA-N 2 2 209.293 0.418 20 0 BCADLP C[C@@H]1[C@H](O)CC[N@H+]1CCc1c[nH+]cn1C ZINC000639666142 356580472 /nfs/dbraw/zinc/58/04/72/356580472.db2.gz PFAIODMTBOYYII-MWLCHTKSSA-N 2 2 209.293 0.418 20 0 BCADLP CCOC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000122704693 363511100 /nfs/dbraw/zinc/51/11/00/363511100.db2.gz LFCSWISWFZZZJY-UWVGGRQHSA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000122704693 363511104 /nfs/dbraw/zinc/51/11/04/363511104.db2.gz LFCSWISWFZZZJY-UWVGGRQHSA-N 2 2 214.309 0.609 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)[C@H](C)OC ZINC000380320600 538466345 /nfs/dbraw/zinc/46/63/45/538466345.db2.gz KJEHESJBFNAKSC-QWRGUYRKSA-N 2 2 218.341 0.314 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)[C@H](C)OC ZINC000380320600 538466347 /nfs/dbraw/zinc/46/63/47/538466347.db2.gz KJEHESJBFNAKSC-QWRGUYRKSA-N 2 2 218.341 0.314 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H](C)[C@@H](C)OC ZINC000380320598 538466356 /nfs/dbraw/zinc/46/63/56/538466356.db2.gz KJEHESJBFNAKSC-GHMZBOCLSA-N 2 2 218.341 0.314 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)[C@@H](C)OC ZINC000380320598 538466357 /nfs/dbraw/zinc/46/63/57/538466357.db2.gz KJEHESJBFNAKSC-GHMZBOCLSA-N 2 2 218.341 0.314 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000623756771 356661331 /nfs/dbraw/zinc/66/13/31/356661331.db2.gz FGIZNMKRZSEQHK-CHWSQXEVSA-N 2 2 224.348 0.999 20 0 BCADLP O[C@@H]1CC[N@@H+](CC[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000623756771 356661334 /nfs/dbraw/zinc/66/13/34/356661334.db2.gz FGIZNMKRZSEQHK-CHWSQXEVSA-N 2 2 224.348 0.999 20 0 BCADLP CCN(CC)C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088287608 356657033 /nfs/dbraw/zinc/65/70/33/356657033.db2.gz ARKODCZOKCKNIB-GHMZBOCLSA-N 2 2 225.336 0.006 20 0 BCADLP C[NH+](C)C[C@]1(O)CCCN(Cc2c[nH+]c[nH]2)C1 ZINC000639760850 356675705 /nfs/dbraw/zinc/67/57/05/356675705.db2.gz BKKFNCFZVKDHKQ-GFCCVEGCSA-N 2 2 238.335 0.298 20 0 BCADLP C[NH+](C)C[C@]1(O)CCCN(Cc2c[nH]c[nH+]2)C1 ZINC000639760850 356675706 /nfs/dbraw/zinc/67/57/06/356675706.db2.gz BKKFNCFZVKDHKQ-GFCCVEGCSA-N 2 2 238.335 0.298 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@H]1C ZINC000578140200 366320064 /nfs/dbraw/zinc/32/00/64/366320064.db2.gz BYHRTRNWHNQTPA-TUAOUCFPSA-N 2 2 230.352 0.266 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@H]1C ZINC000578140200 366320073 /nfs/dbraw/zinc/32/00/73/366320073.db2.gz BYHRTRNWHNQTPA-TUAOUCFPSA-N 2 2 230.352 0.266 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)[C@H]1C ZINC000578140200 366320077 /nfs/dbraw/zinc/32/00/77/366320077.db2.gz BYHRTRNWHNQTPA-TUAOUCFPSA-N 2 2 230.352 0.266 20 0 BCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2cn[nH]c2)C1 ZINC000639765361 356692092 /nfs/dbraw/zinc/69/20/92/356692092.db2.gz IPAQJBBJWSVRHS-LBPRGKRZSA-N 2 2 238.335 0.298 20 0 BCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2cn[nH]c2)C1 ZINC000639765361 356692096 /nfs/dbraw/zinc/69/20/96/356692096.db2.gz IPAQJBBJWSVRHS-LBPRGKRZSA-N 2 2 238.335 0.298 20 0 BCADLP C[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000126594065 538534602 /nfs/dbraw/zinc/53/46/02/538534602.db2.gz ZXBMPAJJKURZRG-LBPRGKRZSA-N 2 2 239.363 0.492 20 0 BCADLP C[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000126594065 538534607 /nfs/dbraw/zinc/53/46/07/538534607.db2.gz ZXBMPAJJKURZRG-LBPRGKRZSA-N 2 2 239.363 0.492 20 0 BCADLP CC(=O)[C@@](C)(O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000450430431 202161706 /nfs/dbraw/zinc/16/17/06/202161706.db2.gz RSQYUOGLSCAAJQ-STQMWFEESA-N 2 2 242.363 0.600 20 0 BCADLP CC(=O)[C@@](C)(O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000450430431 202161710 /nfs/dbraw/zinc/16/17/10/202161710.db2.gz RSQYUOGLSCAAJQ-STQMWFEESA-N 2 2 242.363 0.600 20 0 BCADLP CC(=O)[C@@](C)(O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000450430431 202161713 /nfs/dbraw/zinc/16/17/13/202161713.db2.gz RSQYUOGLSCAAJQ-STQMWFEESA-N 2 2 242.363 0.600 20 0 BCADLP CC(=O)[C@@](C)(O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000450430431 202161716 /nfs/dbraw/zinc/16/17/16/202161716.db2.gz RSQYUOGLSCAAJQ-STQMWFEESA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CCO1 ZINC000623758549 356813986 /nfs/dbraw/zinc/81/39/86/356813986.db2.gz GLRLQOVJDAVGNG-GRYCIOLGSA-N 2 2 228.336 0.210 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)CCO1 ZINC000623758549 356813987 /nfs/dbraw/zinc/81/39/87/356813987.db2.gz GLRLQOVJDAVGNG-GRYCIOLGSA-N 2 2 228.336 0.210 20 0 BCADLP CO[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000639839842 356831184 /nfs/dbraw/zinc/83/11/84/356831184.db2.gz UXAZRTKKDHQQSU-LBPRGKRZSA-N 2 2 239.319 0.657 20 0 BCADLP CO[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000639839842 356831188 /nfs/dbraw/zinc/83/11/88/356831188.db2.gz UXAZRTKKDHQQSU-LBPRGKRZSA-N 2 2 239.319 0.657 20 0 BCADLP CCC[N@H+](C)CC(=O)NCc1c[nH+]cn1C ZINC000356777614 538745937 /nfs/dbraw/zinc/74/59/37/538745937.db2.gz KWUVQMAVGUVCMA-UHFFFAOYSA-N 2 2 224.308 0.378 20 0 BCADLP CCC[N@@H+](C)CC(=O)NCc1c[nH+]cn1C ZINC000356777614 538745944 /nfs/dbraw/zinc/74/59/44/538745944.db2.gz KWUVQMAVGUVCMA-UHFFFAOYSA-N 2 2 224.308 0.378 20 0 BCADLP CC[C@H](C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)OC ZINC000582309232 357048017 /nfs/dbraw/zinc/04/80/17/357048017.db2.gz VISYJUMHMHWHOL-LLVKDONJSA-N 2 2 238.335 0.957 20 0 BCADLP Cc1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cn1 ZINC000156432368 538777780 /nfs/dbraw/zinc/77/77/80/538777780.db2.gz VNYLIZHOHSHEAZ-CYBMUJFWSA-N 2 2 237.347 0.792 20 0 BCADLP COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[NH2+]C1)CO2 ZINC000423212498 192630209 /nfs/dbraw/zinc/63/02/09/192630209.db2.gz JPKHGPMSTYXHEA-NWDGAFQWSA-N 2 2 248.326 0.950 20 0 BCADLP C[NH+](C)CCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000356091399 538806415 /nfs/dbraw/zinc/80/64/15/538806415.db2.gz ISIRNAYUNQHPTE-UHFFFAOYSA-N 2 2 238.335 0.800 20 0 BCADLP C[NH+](C)CCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000356091399 538806418 /nfs/dbraw/zinc/80/64/18/538806418.db2.gz ISIRNAYUNQHPTE-UHFFFAOYSA-N 2 2 238.335 0.800 20 0 BCADLP Cc1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)ccn1 ZINC000391179902 357125212 /nfs/dbraw/zinc/12/52/12/357125212.db2.gz LMMQKMGJJAWLLD-AWEZNQCLSA-N 2 2 249.358 0.936 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CC2(CO)CC2)C[N@@H+]1C1CC1 ZINC000157107097 538809841 /nfs/dbraw/zinc/80/98/41/538809841.db2.gz RPQMAUPILSZKKM-QWRGUYRKSA-N 2 2 224.348 0.974 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CC2(CO)CC2)C[N@H+]1C1CC1 ZINC000157107097 538809846 /nfs/dbraw/zinc/80/98/46/538809846.db2.gz RPQMAUPILSZKKM-QWRGUYRKSA-N 2 2 224.348 0.974 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000393926107 357306756 /nfs/dbraw/zinc/30/67/56/357306756.db2.gz KAINLBGUAWVSGE-WISYIIOYSA-N 2 2 228.336 0.066 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000393926107 357306760 /nfs/dbraw/zinc/30/67/60/357306760.db2.gz KAINLBGUAWVSGE-WISYIIOYSA-N 2 2 228.336 0.066 20 0 BCADLP C[C@@H](CC(=O)NCCc1[nH]cc[nH+]1)n1cc[nH+]c1 ZINC000582489048 357319317 /nfs/dbraw/zinc/31/93/17/357319317.db2.gz CHFFCVSUNNACNJ-JTQLQIEISA-N 2 2 247.302 0.916 20 0 BCADLP C[C@H](CC(=O)NCCc1[nH]cc[nH+]1)n1cc[nH+]c1 ZINC000582489049 357319648 /nfs/dbraw/zinc/31/96/48/357319648.db2.gz CHFFCVSUNNACNJ-SNVBAGLBSA-N 2 2 247.302 0.916 20 0 BCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH+]1CCC1 ZINC000582674313 357361474 /nfs/dbraw/zinc/36/14/74/357361474.db2.gz JNPDHMCSSZKVFW-JTQLQIEISA-N 2 2 236.319 0.410 20 0 BCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH+]1CCC1 ZINC000582674313 357361481 /nfs/dbraw/zinc/36/14/81/357361481.db2.gz JNPDHMCSSZKVFW-JTQLQIEISA-N 2 2 236.319 0.410 20 0 BCADLP C[C@H]([NH3+])C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000582786962 357394340 /nfs/dbraw/zinc/39/43/40/357394340.db2.gz RDKLWANZZSFXCD-WCFLWFBJSA-N 3 2 241.379 0.552 20 0 BCADLP O=C(C[NH2+][C@H]1CCC[NH2+]C1)NCC(F)(F)F ZINC000393675175 357557572 /nfs/dbraw/zinc/55/75/72/357557572.db2.gz USRIVAWGSBKADD-ZETCQYMHSA-N 2 2 239.241 0.007 20 0 BCADLP CCN(C)C(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000231843425 357627351 /nfs/dbraw/zinc/62/73/51/357627351.db2.gz HMVBRICKYTXQKK-SRVKXCTJSA-N 2 2 241.379 0.926 20 0 BCADLP CCN(C)C(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000231843425 357627354 /nfs/dbraw/zinc/62/73/54/357627354.db2.gz HMVBRICKYTXQKK-SRVKXCTJSA-N 2 2 241.379 0.926 20 0 BCADLP Cc1nc(NCCOCC[NH+](C)C)cc[nH+]1 ZINC000231208216 357599641 /nfs/dbraw/zinc/59/96/41/357599641.db2.gz DVPRADZLHBECEP-UHFFFAOYSA-N 2 2 224.308 0.775 20 0 BCADLP CN1CCC[N@H+](CCCn2cc[nH+]c2)CC1=O ZINC000191158469 357738823 /nfs/dbraw/zinc/73/88/23/357738823.db2.gz JJEMCVTXMHYZSW-UHFFFAOYSA-N 2 2 236.319 0.437 20 0 BCADLP CN1CCC[N@@H+](CCCn2cc[nH+]c2)CC1=O ZINC000191158469 357738828 /nfs/dbraw/zinc/73/88/28/357738828.db2.gz JJEMCVTXMHYZSW-UHFFFAOYSA-N 2 2 236.319 0.437 20 0 BCADLP COC[C@@H](C)C[NH2+]CC1([NH+](C)C)CC1 ZINC000397873553 357775983 /nfs/dbraw/zinc/77/59/83/357775983.db2.gz UKNFTHWPZREGQS-JTQLQIEISA-N 2 2 200.326 0.953 20 0 BCADLP CN1CCC[N@H+](CC[C@H]2CCC[NH+]2C)CC1=O ZINC000191083171 357748422 /nfs/dbraw/zinc/74/84/22/357748422.db2.gz NCXARPKDWMNAJD-GFCCVEGCSA-N 2 2 239.363 0.635 20 0 BCADLP CN1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)CC1=O ZINC000191083171 357748427 /nfs/dbraw/zinc/74/84/27/357748427.db2.gz NCXARPKDWMNAJD-GFCCVEGCSA-N 2 2 239.363 0.635 20 0 BCADLP CN1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1=O ZINC000191083171 357748431 /nfs/dbraw/zinc/74/84/31/357748431.db2.gz NCXARPKDWMNAJD-GFCCVEGCSA-N 2 2 239.363 0.635 20 0 BCADLP CN1CCC[NH+](CC[C@H]2CCC[N@H+]2C)CC1=O ZINC000191083171 357748439 /nfs/dbraw/zinc/74/84/39/357748439.db2.gz NCXARPKDWMNAJD-GFCCVEGCSA-N 2 2 239.363 0.635 20 0 BCADLP CC[NH+]1CCN(CC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000191406314 357769633 /nfs/dbraw/zinc/76/96/33/357769633.db2.gz ZSYGDBCUQPGECD-CYBMUJFWSA-N 2 2 241.379 0.345 20 0 BCADLP CC[NH+]1CCN(CC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000191406314 357769637 /nfs/dbraw/zinc/76/96/37/357769637.db2.gz ZSYGDBCUQPGECD-CYBMUJFWSA-N 2 2 241.379 0.345 20 0 BCADLP CC[NH+]1CCN(CC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000191406332 357769718 /nfs/dbraw/zinc/76/97/18/357769718.db2.gz ZSYGDBCUQPGECD-ZDUSSCGKSA-N 2 2 241.379 0.345 20 0 BCADLP CC[NH+]1CCN(CC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000191406332 357769725 /nfs/dbraw/zinc/76/97/25/357769725.db2.gz ZSYGDBCUQPGECD-ZDUSSCGKSA-N 2 2 241.379 0.345 20 0 BCADLP COC(=O)CCC[N@@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000234515918 357810918 /nfs/dbraw/zinc/81/09/18/357810918.db2.gz AKZFYMNZLMSEDE-GHMZBOCLSA-N 2 2 228.336 0.999 20 0 BCADLP COC(=O)CCC[N@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000234515918 357810922 /nfs/dbraw/zinc/81/09/22/357810922.db2.gz AKZFYMNZLMSEDE-GHMZBOCLSA-N 2 2 228.336 0.999 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC000085170801 134224490 /nfs/dbraw/zinc/22/44/90/134224490.db2.gz RRTZRXRHEWWKDB-JTQLQIEISA-N 2 2 208.309 0.461 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC000085170801 134224491 /nfs/dbraw/zinc/22/44/91/134224491.db2.gz RRTZRXRHEWWKDB-JTQLQIEISA-N 2 2 208.309 0.461 20 0 BCADLP C[NH2+]C[C@@H]1CCN(Cc2c[nH+]cn2C)C1 ZINC000085170801 134224492 /nfs/dbraw/zinc/22/44/92/134224492.db2.gz RRTZRXRHEWWKDB-JTQLQIEISA-N 2 2 208.309 0.461 20 0 BCADLP CN(CC1CC1)C(=O)C[NH+]1CCC([NH3+])CC1 ZINC000086206196 357872512 /nfs/dbraw/zinc/87/25/12/357872512.db2.gz QTZTZNQCDDOLPL-UHFFFAOYSA-N 2 2 225.336 0.278 20 0 BCADLP [NH3+][C@H](C(=O)NCCc1[nH]cc[nH+]1)C1CCC1 ZINC000399042163 357895199 /nfs/dbraw/zinc/89/51/99/357895199.db2.gz QYYSIXVCXFZVPT-JTQLQIEISA-N 2 2 222.292 0.196 20 0 BCADLP C[C@H]1C[C@H](C(=O)NCCn2cc[nH+]c2)CC[NH2+]1 ZINC000235680202 357928094 /nfs/dbraw/zinc/92/80/94/357928094.db2.gz USNBFHGGSIYBFG-WDEREUQCSA-N 2 2 236.319 0.387 20 0 BCADLP O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1CC[NH2+]1 ZINC000584409430 357914152 /nfs/dbraw/zinc/91/41/52/357914152.db2.gz ORMSOOZCTTVMGI-SECBINFHSA-N 2 2 216.244 0.635 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[NH2+]C1CC1 ZINC000037477029 358071172 /nfs/dbraw/zinc/07/11/72/358071172.db2.gz HSMANSJNZIYYAV-SECBINFHSA-N 2 2 222.292 0.140 20 0 BCADLP CC(C)[NH2+]CCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000037618380 358084221 /nfs/dbraw/zinc/08/42/21/358084221.db2.gz RDGFJJFXWVBIDQ-LLVKDONJSA-N 2 2 238.335 0.776 20 0 BCADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccn(C)n1 ZINC000584577363 358092262 /nfs/dbraw/zinc/09/22/62/358092262.db2.gz AEGUHQQWDRDSRQ-NSHDSACASA-N 2 2 210.325 0.883 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000221581905 358095225 /nfs/dbraw/zinc/09/52/25/358095225.db2.gz GHDSBPXNNUATRO-MXWKQRLJSA-N 2 2 236.319 0.386 20 0 BCADLP C[NH2+]CCNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000584721654 358162085 /nfs/dbraw/zinc/16/20/85/358162085.db2.gz PIQYCKNPFHUZEG-JTQLQIEISA-N 2 2 243.257 0.300 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221788448 535406046 /nfs/dbraw/zinc/40/60/46/535406046.db2.gz PYXVEKKEEIQLNR-GARJFASQSA-N 2 2 227.352 0.583 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221788448 535406048 /nfs/dbraw/zinc/40/60/48/535406048.db2.gz PYXVEKKEEIQLNR-GARJFASQSA-N 2 2 227.352 0.583 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000040601213 358243138 /nfs/dbraw/zinc/24/31/38/358243138.db2.gz JGGBJYMSFXDHGG-LBPRGKRZSA-N 2 2 239.363 0.540 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000040601213 358243142 /nfs/dbraw/zinc/24/31/42/358243142.db2.gz JGGBJYMSFXDHGG-LBPRGKRZSA-N 2 2 239.363 0.540 20 0 BCADLP C[N@@H+]1CCN(Cc2cccnc2)[C@@H](C[NH3+])C1 ZINC000226610479 358341898 /nfs/dbraw/zinc/34/18/98/358341898.db2.gz SVMSUIIEGZXGGC-LBPRGKRZSA-N 2 2 220.320 0.156 20 0 BCADLP C[N@H+]1CCN(Cc2cccnc2)[C@@H](C[NH3+])C1 ZINC000226610479 358341899 /nfs/dbraw/zinc/34/18/99/358341899.db2.gz SVMSUIIEGZXGGC-LBPRGKRZSA-N 2 2 220.320 0.156 20 0 BCADLP C[N@@H+]1CCN(Cc2ccccc2F)[C@@H](C[NH3+])C1 ZINC000226616723 358341966 /nfs/dbraw/zinc/34/19/66/358341966.db2.gz ZLJCMRJYEMWFAE-LBPRGKRZSA-N 2 2 237.322 0.900 20 0 BCADLP C[N@H+]1CCN(Cc2ccccc2F)[C@@H](C[NH3+])C1 ZINC000226616723 358341967 /nfs/dbraw/zinc/34/19/67/358341967.db2.gz ZLJCMRJYEMWFAE-LBPRGKRZSA-N 2 2 237.322 0.900 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC000173904034 134278368 /nfs/dbraw/zinc/27/83/68/134278368.db2.gz NWMKIBWOMQSEHO-NSHDSACASA-N 2 2 227.352 0.348 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC000173904034 134278369 /nfs/dbraw/zinc/27/83/69/134278369.db2.gz NWMKIBWOMQSEHO-NSHDSACASA-N 2 2 227.352 0.348 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC000173904034 134278370 /nfs/dbraw/zinc/27/83/70/134278370.db2.gz NWMKIBWOMQSEHO-NSHDSACASA-N 2 2 227.352 0.348 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC000173904034 134278371 /nfs/dbraw/zinc/27/83/71/134278371.db2.gz NWMKIBWOMQSEHO-NSHDSACASA-N 2 2 227.352 0.348 20 0 BCADLP O=C(NCCCCn1cc[nH+]c1)[C@H]1CCC[NH2+]1 ZINC000045109154 358401291 /nfs/dbraw/zinc/40/12/91/358401291.db2.gz YQEHCWXYKLAUNF-LLVKDONJSA-N 2 2 236.319 0.532 20 0 BCADLP C[C@H](C[NH2+]CCCn1cc[nH+]c1)S(C)(=O)=O ZINC000567103648 358585528 /nfs/dbraw/zinc/58/55/28/358585528.db2.gz LBJXOPWLOOGZLF-SNVBAGLBSA-N 2 2 245.348 0.296 20 0 BCADLP Cn1nncc1C[NH2+]CCC[NH+]1CCCC1 ZINC000129697778 358593116 /nfs/dbraw/zinc/59/31/16/358593116.db2.gz GCWBEZSELFWRTC-UHFFFAOYSA-N 2 2 223.324 0.391 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129739024 358594794 /nfs/dbraw/zinc/59/47/94/358594794.db2.gz PYXVEKKEEIQLNR-OUAUKWLOSA-N 2 2 227.352 0.583 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129739024 358594796 /nfs/dbraw/zinc/59/47/96/358594796.db2.gz PYXVEKKEEIQLNR-OUAUKWLOSA-N 2 2 227.352 0.583 20 0 BCADLP C[C@@H](C[S@@](C)=O)[N@H+](C)C1CC[NH+](C)CC1 ZINC000131000694 358657517 /nfs/dbraw/zinc/65/75/17/358657517.db2.gz VYSXLUYOSYKENK-BONVTDFDSA-N 2 2 232.393 0.779 20 0 BCADLP C[C@@H](C[S@@](C)=O)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000131000694 358657519 /nfs/dbraw/zinc/65/75/19/358657519.db2.gz VYSXLUYOSYKENK-BONVTDFDSA-N 2 2 232.393 0.779 20 0 BCADLP CCC[C@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000134356482 358787945 /nfs/dbraw/zinc/78/79/45/358787945.db2.gz IWLVOEJRFWFQMF-NSHDSACASA-N 2 2 240.351 0.737 20 0 BCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CC2CC2)C[C@@H](C)O1 ZINC000578232185 366463202 /nfs/dbraw/zinc/46/32/02/366463202.db2.gz KYFMMFMRUOOASB-NQBHXWOUSA-N 2 2 242.363 0.456 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000053443745 358829809 /nfs/dbraw/zinc/82/98/09/358829809.db2.gz JPDLXMHWWNAWQF-NEPJUHHUSA-N 2 2 230.352 0.722 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000053443745 358829813 /nfs/dbraw/zinc/82/98/13/358829813.db2.gz JPDLXMHWWNAWQF-NEPJUHHUSA-N 2 2 230.352 0.722 20 0 BCADLP CC(C)OC[C@@H](CO)[N@H+](C)Cc1c[nH+]cn1C ZINC000578282540 366474154 /nfs/dbraw/zinc/47/41/54/366474154.db2.gz HUEXPAZPKTYAIA-GFCCVEGCSA-N 2 2 241.335 0.638 20 0 BCADLP CC(C)OC[C@@H](CO)[N@@H+](C)Cc1c[nH+]cn1C ZINC000578282540 366474156 /nfs/dbraw/zinc/47/41/56/366474156.db2.gz HUEXPAZPKTYAIA-GFCCVEGCSA-N 2 2 241.335 0.638 20 0 BCADLP CCCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177147462 134295773 /nfs/dbraw/zinc/29/57/73/134295773.db2.gz MNCRQRUDDUAPKP-UHFFFAOYSA-N 2 2 241.379 0.929 20 0 BCADLP Cn1nncc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000135855468 358852356 /nfs/dbraw/zinc/85/23/56/358852356.db2.gz GGHIHXTVYCXYAQ-WDEREUQCSA-N 2 2 235.335 0.532 20 0 BCADLP Cn1nncc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000135855468 358852359 /nfs/dbraw/zinc/85/23/59/358852359.db2.gz GGHIHXTVYCXYAQ-WDEREUQCSA-N 2 2 235.335 0.532 20 0 BCADLP Cn1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)nn1 ZINC000054860325 358877585 /nfs/dbraw/zinc/87/75/85/358877585.db2.gz CWHLMINGAVQUTA-UHFFFAOYSA-N 2 2 235.335 0.532 20 0 BCADLP O=C1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CCN1 ZINC000396668036 358947709 /nfs/dbraw/zinc/94/77/09/358947709.db2.gz QKBPFWRYEZKCPP-GHMZBOCLSA-N 2 2 237.347 0.481 20 0 BCADLP O=C1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)CCN1 ZINC000396668036 358947712 /nfs/dbraw/zinc/94/77/12/358947712.db2.gz QKBPFWRYEZKCPP-GHMZBOCLSA-N 2 2 237.347 0.481 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000069891083 359035356 /nfs/dbraw/zinc/03/53/56/359035356.db2.gz NWNHKKFVDWBXAP-NWDGAFQWSA-N 2 2 230.352 0.722 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000069891083 359035363 /nfs/dbraw/zinc/03/53/63/359035363.db2.gz NWNHKKFVDWBXAP-NWDGAFQWSA-N 2 2 230.352 0.722 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2CCCO2)n1C ZINC000070142679 359043648 /nfs/dbraw/zinc/04/36/48/359043648.db2.gz VPCOSVDHYUDXMY-LLVKDONJSA-N 2 2 238.335 0.755 20 0 BCADLP CC(C)OC[C@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000070195137 359044714 /nfs/dbraw/zinc/04/47/14/359044714.db2.gz RHJZDYBBEIBHEA-CYBMUJFWSA-N 2 2 244.379 0.798 20 0 BCADLP CNC(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000072982113 359094040 /nfs/dbraw/zinc/09/40/40/359094040.db2.gz SFERRZTWWDNPCL-LLVKDONJSA-N 2 2 227.352 0.539 20 0 BCADLP CNC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000072982113 359094047 /nfs/dbraw/zinc/09/40/47/359094047.db2.gz SFERRZTWWDNPCL-LLVKDONJSA-N 2 2 227.352 0.539 20 0 BCADLP CNC(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000072982113 359094050 /nfs/dbraw/zinc/09/40/50/359094050.db2.gz SFERRZTWWDNPCL-LLVKDONJSA-N 2 2 227.352 0.539 20 0 BCADLP CNC(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000072982113 359094053 /nfs/dbraw/zinc/09/40/53/359094053.db2.gz SFERRZTWWDNPCL-LLVKDONJSA-N 2 2 227.352 0.539 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248046744 359252606 /nfs/dbraw/zinc/25/26/06/359252606.db2.gz VHXQEZBMLBCMGJ-MXWKQRLJSA-N 2 2 225.336 0.276 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248046744 359252609 /nfs/dbraw/zinc/25/26/09/359252609.db2.gz VHXQEZBMLBCMGJ-MXWKQRLJSA-N 2 2 225.336 0.276 20 0 BCADLP C[C@H](C(N)=O)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248046744 359252611 /nfs/dbraw/zinc/25/26/11/359252611.db2.gz VHXQEZBMLBCMGJ-MXWKQRLJSA-N 2 2 225.336 0.276 20 0 BCADLP C[C@H](C(N)=O)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248046744 359252613 /nfs/dbraw/zinc/25/26/13/359252613.db2.gz VHXQEZBMLBCMGJ-MXWKQRLJSA-N 2 2 225.336 0.276 20 0 BCADLP COC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404333166 359577899 /nfs/dbraw/zinc/57/78/99/359577899.db2.gz ZWFLPRLQCZHXPP-UWVGGRQHSA-N 2 2 214.309 0.609 20 0 BCADLP COC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404333166 359577903 /nfs/dbraw/zinc/57/79/03/359577903.db2.gz ZWFLPRLQCZHXPP-UWVGGRQHSA-N 2 2 214.309 0.609 20 0 BCADLP COC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404333169 359578322 /nfs/dbraw/zinc/57/83/22/359578322.db2.gz ZWFLPRLQCZHXPP-ZJUUUORDSA-N 2 2 214.309 0.609 20 0 BCADLP COC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404333169 359578324 /nfs/dbraw/zinc/57/83/24/359578324.db2.gz ZWFLPRLQCZHXPP-ZJUUUORDSA-N 2 2 214.309 0.609 20 0 BCADLP C[N@@H+]1CCN(C(=O)CCC2CC2)[C@@H](C[NH3+])C1 ZINC000400792636 359605119 /nfs/dbraw/zinc/60/51/19/359605119.db2.gz ACQAIVUQMSUWPZ-NSHDSACASA-N 2 2 225.336 0.278 20 0 BCADLP C[N@H+]1CCN(C(=O)CCC2CC2)[C@@H](C[NH3+])C1 ZINC000400792636 359605121 /nfs/dbraw/zinc/60/51/21/359605121.db2.gz ACQAIVUQMSUWPZ-NSHDSACASA-N 2 2 225.336 0.278 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+]CC[C@H]2CCOC2)C1 ZINC000628498707 359711373 /nfs/dbraw/zinc/71/13/73/359711373.db2.gz UNRQDIKNADMFGH-RYUDHWBXSA-N 2 2 228.336 0.069 20 0 BCADLP O[C@H]1CC[N@@H+](CC[NH2+]CC[C@H]2CCOC2)C1 ZINC000628498707 359711378 /nfs/dbraw/zinc/71/13/78/359711378.db2.gz UNRQDIKNADMFGH-RYUDHWBXSA-N 2 2 228.336 0.069 20 0 BCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CSC1 ZINC000309066639 491143941 /nfs/dbraw/zinc/14/39/41/491143941.db2.gz ZUDDEGPRTHSAQO-LLVKDONJSA-N 2 2 230.377 0.802 20 0 BCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C1CSC1 ZINC000309066639 491143942 /nfs/dbraw/zinc/14/39/42/491143942.db2.gz ZUDDEGPRTHSAQO-LLVKDONJSA-N 2 2 230.377 0.802 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCCOC1 ZINC000352116467 366548893 /nfs/dbraw/zinc/54/88/93/366548893.db2.gz WOLALCPCUHPFEN-OLZOCXBDSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CCCOC1 ZINC000352116467 366548895 /nfs/dbraw/zinc/54/88/95/366548895.db2.gz WOLALCPCUHPFEN-OLZOCXBDSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+](C)[C@@H]1CCCOC1)C1CC1 ZINC000352116467 366548900 /nfs/dbraw/zinc/54/89/00/366548900.db2.gz WOLALCPCUHPFEN-OLZOCXBDSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+](C)[C@@H]1CCCOC1)C1CC1 ZINC000352116467 366548904 /nfs/dbraw/zinc/54/89/04/366548904.db2.gz WOLALCPCUHPFEN-OLZOCXBDSA-N 2 2 242.363 0.552 20 0 BCADLP Cc1cc[nH+]c(N2CC[N@@H+](CCO)C[C@@H]2C)c1 ZINC000450953921 202319764 /nfs/dbraw/zinc/31/97/64/202319764.db2.gz MIJBTOOKRCPUNB-LBPRGKRZSA-N 2 2 235.331 0.893 20 0 BCADLP Cc1cc[nH+]c(N2CC[N@H+](CCO)C[C@@H]2C)c1 ZINC000450953921 202319765 /nfs/dbraw/zinc/31/97/65/202319765.db2.gz MIJBTOOKRCPUNB-LBPRGKRZSA-N 2 2 235.331 0.893 20 0 BCADLP C[NH2+]Cc1noc(C[C@@H]([NH3+])Cc2ccccc2)n1 ZINC000578505676 366581778 /nfs/dbraw/zinc/58/17/78/366581778.db2.gz AQTJMVSAENLZJX-NSHDSACASA-N 2 2 246.314 0.902 20 0 BCADLP C[C@H]1CC[N@H+](CC(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000578547175 366597517 /nfs/dbraw/zinc/59/75/17/366597517.db2.gz XLQUOEBRKNKJPU-JTQLQIEISA-N 2 2 236.319 0.410 20 0 BCADLP C[C@H]1CC[N@@H+](CC(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000578547175 366597520 /nfs/dbraw/zinc/59/75/20/366597520.db2.gz XLQUOEBRKNKJPU-JTQLQIEISA-N 2 2 236.319 0.410 20 0 BCADLP COCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000578776162 366647414 /nfs/dbraw/zinc/64/74/14/366647414.db2.gz XLTNIKHIWPTGFC-UHFFFAOYSA-N 2 2 242.363 0.459 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)CC[N@@H+]1C ZINC000090720570 360085567 /nfs/dbraw/zinc/08/55/67/360085567.db2.gz QFOGDAAFCIDBDB-UWVGGRQHSA-N 2 2 223.324 0.387 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)CC[N@H+]1C ZINC000090720570 360085569 /nfs/dbraw/zinc/08/55/69/360085569.db2.gz QFOGDAAFCIDBDB-UWVGGRQHSA-N 2 2 223.324 0.387 20 0 BCADLP COCCCOCC[N@H+](C)CCn1cc[nH+]c1 ZINC000091102692 360104897 /nfs/dbraw/zinc/10/48/97/360104897.db2.gz DCPXMESNBBMZDL-UHFFFAOYSA-N 2 2 241.335 0.868 20 0 BCADLP COCCCOCC[N@@H+](C)CCn1cc[nH+]c1 ZINC000091102692 360104903 /nfs/dbraw/zinc/10/49/03/360104903.db2.gz DCPXMESNBBMZDL-UHFFFAOYSA-N 2 2 241.335 0.868 20 0 BCADLP CCN(CC[NH3+])C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000626940355 360522361 /nfs/dbraw/zinc/52/23/61/360522361.db2.gz WVWPIPPJXJQNLJ-JTQLQIEISA-N 2 2 239.323 0.262 20 0 BCADLP CC(C)[NH+]1CCC([NH2+]C[C@H](O)C[NH+](C)C)CC1 ZINC000154378024 360796251 /nfs/dbraw/zinc/79/62/51/360796251.db2.gz QYCDQKRZEUFWER-ZDUSSCGKSA-N 3 2 243.395 0.371 20 0 BCADLP Cc1cc(C[NH2+]C2CC[NH+](C)CC2)ncn1 ZINC000309614675 491152556 /nfs/dbraw/zinc/15/25/56/491152556.db2.gz CKMFJGYTYVEYMU-UHFFFAOYSA-N 2 2 220.320 0.969 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(CC(N)=O)CC1 ZINC000414674595 219881690 /nfs/dbraw/zinc/88/16/90/219881690.db2.gz KSLJWBDYIMVBJL-GFCCVEGCSA-N 2 2 241.379 0.947 20 0 BCADLP Cc1ccc(C[NH2+]CC2([NH3+])CCOCC2)nc1 ZINC000629389509 361036850 /nfs/dbraw/zinc/03/68/50/361036850.db2.gz ZCJKLISEPVJGLJ-UHFFFAOYSA-N 2 2 235.331 0.988 20 0 BCADLP CCn1nccc1C[NH2+]CC1([NH3+])CCOCC1 ZINC000629387629 361039793 /nfs/dbraw/zinc/03/97/93/361039793.db2.gz IFPDSBYBLZSFSA-UHFFFAOYSA-N 2 2 238.335 0.501 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cn(C)nc1C ZINC000629390535 361044458 /nfs/dbraw/zinc/04/44/58/361044458.db2.gz RUCRYNPAGYUQJP-NWDGAFQWSA-N 2 2 222.336 0.959 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000629391152 361045758 /nfs/dbraw/zinc/04/57/58/361045758.db2.gz WSJLSZZQNLJBKK-WDEREUQCSA-N 2 2 208.309 0.650 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)CC(=O)N(C)C ZINC000629390974 361045796 /nfs/dbraw/zinc/04/57/96/361045796.db2.gz QMZYKBPNKFMFHG-GARJFASQSA-N 2 2 227.352 0.583 20 0 BCADLP c1[nH+]c2ccccn2c1CN[C@@H]1CC[NH2+]C1 ZINC000629409295 361057704 /nfs/dbraw/zinc/05/77/04/361057704.db2.gz GKSRLBYGEPABHD-SNVBAGLBSA-N 2 2 216.288 0.786 20 0 BCADLP CCO[C@@H](C[N@@H+]1CCO[C@@H](C[NH3+])C1)C1CC1 ZINC000629518821 361118754 /nfs/dbraw/zinc/11/87/54/361118754.db2.gz PPWABXIUUBDUDE-RYUDHWBXSA-N 2 2 228.336 0.461 20 0 BCADLP CCO[C@@H](C[N@H+]1CCO[C@@H](C[NH3+])C1)C1CC1 ZINC000629518821 361118755 /nfs/dbraw/zinc/11/87/55/361118755.db2.gz PPWABXIUUBDUDE-RYUDHWBXSA-N 2 2 228.336 0.461 20 0 BCADLP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629518883 361118762 /nfs/dbraw/zinc/11/87/62/361118762.db2.gz CHKJVYFHORXAQR-VXGBXAGGSA-N 3 2 241.379 0.601 20 0 BCADLP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccn(C)n1 ZINC000629518717 361119157 /nfs/dbraw/zinc/11/91/57/361119157.db2.gz BRMJORBSHRCXHI-JTQLQIEISA-N 2 2 238.335 0.579 20 0 BCADLP C[C@H](O)[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000578987616 366686988 /nfs/dbraw/zinc/68/69/88/366686988.db2.gz IZMQRFXJWGCPNC-SDDRHHMPSA-N 2 2 228.336 0.068 20 0 BCADLP C[C@H](O)[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000578987616 366686998 /nfs/dbraw/zinc/68/69/98/366686998.db2.gz IZMQRFXJWGCPNC-SDDRHHMPSA-N 2 2 228.336 0.068 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)O)C[N@@H+]1C1CC1 ZINC000133449108 491154472 /nfs/dbraw/zinc/15/44/72/491154472.db2.gz MSZUQGNBGXSHNQ-UWVGGRQHSA-N 2 2 212.337 0.972 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)O)C[N@H+]1C1CC1 ZINC000133449108 491154473 /nfs/dbraw/zinc/15/44/73/491154473.db2.gz MSZUQGNBGXSHNQ-UWVGGRQHSA-N 2 2 212.337 0.972 20 0 BCADLP [NH3+][C@@H]1CC[N@H+](CCOC2CCOCC2)C1 ZINC000629504849 361100512 /nfs/dbraw/zinc/10/05/12/361100512.db2.gz FLGJSDNOZJHRHM-SNVBAGLBSA-N 2 2 214.309 0.215 20 0 BCADLP [NH3+][C@@H]1CC[N@@H+](CCOC2CCOCC2)C1 ZINC000629504849 361100516 /nfs/dbraw/zinc/10/05/16/361100516.db2.gz FLGJSDNOZJHRHM-SNVBAGLBSA-N 2 2 214.309 0.215 20 0 BCADLP CCO[C@H](C[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1)C1CC1 ZINC000629512670 361107710 /nfs/dbraw/zinc/10/77/10/361107710.db2.gz BPJNTWOAZSCDIQ-KGYLQXTDSA-N 2 2 242.363 0.850 20 0 BCADLP CCO[C@H](C[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1)C1CC1 ZINC000629512670 361107713 /nfs/dbraw/zinc/10/77/13/361107713.db2.gz BPJNTWOAZSCDIQ-KGYLQXTDSA-N 2 2 242.363 0.850 20 0 BCADLP [NH3+][C@H]1CC[N@H+](CCOC2CCOCC2)C1 ZINC000629511003 361110350 /nfs/dbraw/zinc/11/03/50/361110350.db2.gz FLGJSDNOZJHRHM-JTQLQIEISA-N 2 2 214.309 0.215 20 0 BCADLP [NH3+][C@H]1CC[N@@H+](CCOC2CCOCC2)C1 ZINC000629511003 361110353 /nfs/dbraw/zinc/11/03/53/361110353.db2.gz FLGJSDNOZJHRHM-JTQLQIEISA-N 2 2 214.309 0.215 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cncc(OC)n2)C1 ZINC000629513585 361111188 /nfs/dbraw/zinc/11/11/88/361111188.db2.gz YZBDFYXWEQYKHM-JTQLQIEISA-N 2 2 236.319 0.527 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cncc(OC)n2)C1 ZINC000629513585 361111193 /nfs/dbraw/zinc/11/11/93/361111193.db2.gz YZBDFYXWEQYKHM-JTQLQIEISA-N 2 2 236.319 0.527 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccnc2N)C1 ZINC000629513529 361111391 /nfs/dbraw/zinc/11/13/91/361111391.db2.gz YVILMULDNRRXSK-JTQLQIEISA-N 2 2 220.320 0.705 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccnc2N)C1 ZINC000629513529 361111394 /nfs/dbraw/zinc/11/13/94/361111394.db2.gz YVILMULDNRRXSK-JTQLQIEISA-N 2 2 220.320 0.705 20 0 BCADLP COc1cncc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)n1 ZINC000629520235 361116386 /nfs/dbraw/zinc/11/63/86/361116386.db2.gz VAVWXKPXDNTTMU-ZDUSSCGKSA-N 2 2 248.330 0.671 20 0 BCADLP COc1cncc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)n1 ZINC000629520235 361116388 /nfs/dbraw/zinc/11/63/88/361116388.db2.gz VAVWXKPXDNTTMU-ZDUSSCGKSA-N 2 2 248.330 0.671 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000629527602 361134365 /nfs/dbraw/zinc/13/43/65/361134365.db2.gz AAVWYDRVKKAFAY-WHOHXGKFSA-N 3 2 211.353 0.986 20 0 BCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000629530369 361144740 /nfs/dbraw/zinc/14/47/40/361144740.db2.gz DTROLVJZVGTHQN-LBPRGKRZSA-N 2 2 237.351 0.777 20 0 BCADLP CCn1nnc(C)c1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000629530369 361144746 /nfs/dbraw/zinc/14/47/46/361144746.db2.gz DTROLVJZVGTHQN-LBPRGKRZSA-N 2 2 237.351 0.777 20 0 BCADLP Nc1ncccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000629531919 361150170 /nfs/dbraw/zinc/15/01/70/361150170.db2.gz DVZTUNHSZJYWFR-CMPLNLGQSA-N 2 2 232.331 0.848 20 0 BCADLP Nc1ncccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000629531919 361150174 /nfs/dbraw/zinc/15/01/74/361150174.db2.gz DVZTUNHSZJYWFR-CMPLNLGQSA-N 2 2 232.331 0.848 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1COCCN1C)[C@H]1CCCC[NH2+]1 ZINC000629532883 361156366 /nfs/dbraw/zinc/15/63/66/361156366.db2.gz XCRYUSCMWOXHGA-FRRDWIJNSA-N 2 2 241.379 0.437 20 0 BCADLP CCCCCNC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000613210294 361246670 /nfs/dbraw/zinc/24/66/70/361246670.db2.gz RIVLSXFVTLOHFG-RYUDHWBXSA-N 2 2 239.363 0.444 20 0 BCADLP COCCCC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000158720649 361209543 /nfs/dbraw/zinc/20/95/43/361209543.db2.gz HVKXKGHTDCQNPM-JTQLQIEISA-N 2 2 202.298 0.073 20 0 BCADLP COCCCC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000158720649 361209545 /nfs/dbraw/zinc/20/95/45/361209545.db2.gz HVKXKGHTDCQNPM-JTQLQIEISA-N 2 2 202.298 0.073 20 0 BCADLP [NH3+]C1(C(=O)NCCCCNc2cccc[nH+]2)CC1 ZINC000262713393 181326016 /nfs/dbraw/zinc/32/60/16/181326016.db2.gz SHLZKFHEYISVSL-UHFFFAOYSA-N 2 2 248.330 0.881 20 0 BCADLP O[C@@]12C[C@@H]1C[N@H+](CCCn1cc[nH+]c1)C2 ZINC000640483285 361259104 /nfs/dbraw/zinc/25/91/04/361259104.db2.gz VPWCXOPZILMTPX-GHMZBOCLSA-N 2 2 207.277 0.340 20 0 BCADLP O[C@@]12C[C@@H]1C[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000640483285 361259106 /nfs/dbraw/zinc/25/91/06/361259106.db2.gz VPWCXOPZILMTPX-GHMZBOCLSA-N 2 2 207.277 0.340 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)n1C ZINC000579130149 366720343 /nfs/dbraw/zinc/72/03/43/366720343.db2.gz NHQXLIUKUWFHON-GZMMTYOYSA-N 2 2 236.319 0.343 20 0 BCADLP C[NH+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000579180519 366726975 /nfs/dbraw/zinc/72/69/75/366726975.db2.gz OOFRGHDJWRWXCY-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP CC(=O)N1CC[C@@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000622044657 370673162 /nfs/dbraw/zinc/67/31/62/370673162.db2.gz OMQUOWISQDEEJJ-WCQGTBRESA-N 2 2 225.336 0.195 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000575007535 361321422 /nfs/dbraw/zinc/32/14/22/361321422.db2.gz DHHMDYVICKYUJA-ZJUUUORDSA-N 2 2 234.303 0.098 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC000575007535 361321426 /nfs/dbraw/zinc/32/14/26/361321426.db2.gz DHHMDYVICKYUJA-ZJUUUORDSA-N 2 2 234.303 0.098 20 0 BCADLP COC1(C[NH2+]CC[NH+]2CCCC2)CCOCC1 ZINC000428848262 201045351 /nfs/dbraw/zinc/04/53/51/201045351.db2.gz YEGAPLUVJJNASS-UHFFFAOYSA-N 2 2 242.363 0.867 20 0 BCADLP [NH3+]C1(C[NH2+]CC(=O)NCc2cccnc2)CCC1 ZINC000342136882 181330651 /nfs/dbraw/zinc/33/06/51/181330651.db2.gz MKYOSLPJEJVKGU-UHFFFAOYSA-N 2 2 248.330 0.169 20 0 BCADLP O=C(Cn1cc[nH+]c1)NCC12CCC[NH+]1CCC2 ZINC000614224233 363763588 /nfs/dbraw/zinc/76/35/88/363763588.db2.gz RGGAUGSHNFRFCW-UHFFFAOYSA-N 2 2 248.330 0.628 20 0 BCADLP [NH3+]C[C@H]1CCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000429079589 201065977 /nfs/dbraw/zinc/06/59/77/201065977.db2.gz WZLHICQQGMUNQH-SNVBAGLBSA-N 2 2 244.298 0.755 20 0 BCADLP Cc1cc(NC(=O)NCC[C@H]2CC[NH2+]C2)cc[nH+]1 ZINC000579329282 366761179 /nfs/dbraw/zinc/76/11/79/366761179.db2.gz WZJUVUWOWGTCGN-LLVKDONJSA-N 2 2 248.330 0.933 20 0 BCADLP CC(=O)NCCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181112808 366786285 /nfs/dbraw/zinc/78/62/85/366786285.db2.gz BNYWNMMGMXQMHF-UHFFFAOYSA-N 2 2 238.335 0.731 20 0 BCADLP CC(=O)NCCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000181112808 366786288 /nfs/dbraw/zinc/78/62/88/366786288.db2.gz BNYWNMMGMXQMHF-UHFFFAOYSA-N 2 2 238.335 0.731 20 0 BCADLP CC1(C)CC(C[N@H+](CC[NH3+])C[C@@H](O)CO)C1 ZINC000629543438 361411992 /nfs/dbraw/zinc/41/19/92/361411992.db2.gz BMMMXRPWNSRDIL-LLVKDONJSA-N 2 2 230.352 0.037 20 0 BCADLP CC1(C)CC(C[N@@H+](CC[NH3+])C[C@@H](O)CO)C1 ZINC000629543438 361411994 /nfs/dbraw/zinc/41/19/94/361411994.db2.gz BMMMXRPWNSRDIL-LLVKDONJSA-N 2 2 230.352 0.037 20 0 BCADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629544787 361425080 /nfs/dbraw/zinc/42/50/80/361425080.db2.gz CNFHYDJEVBXQAP-SDDRHHMPSA-N 2 2 241.379 0.973 20 0 BCADLP OC[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@H]1CCCOC1 ZINC000579473406 366821174 /nfs/dbraw/zinc/82/11/74/366821174.db2.gz UFERQVDSRWSFEJ-SRVKXCTJSA-N 2 2 228.336 0.116 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000629547227 361430322 /nfs/dbraw/zinc/43/03/22/361430322.db2.gz SCQVPUZYWFISCC-NOOOWODRSA-N 3 2 211.353 0.715 20 0 BCADLP C[C@H](CCCC[NH3+])[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000629548206 361432716 /nfs/dbraw/zinc/43/27/16/361432716.db2.gz WIVQZHKLCIVBEH-VXGBXAGGSA-N 3 2 229.368 0.160 20 0 BCADLP C[C@H](CCCC[NH3+])[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000629548206 361432723 /nfs/dbraw/zinc/43/27/23/361432723.db2.gz WIVQZHKLCIVBEH-VXGBXAGGSA-N 3 2 229.368 0.160 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cnn(C)c1 ZINC000629548897 361434197 /nfs/dbraw/zinc/43/41/97/361434197.db2.gz RUWLQPBLZODAFL-WCABBAIRSA-N 2 2 208.309 0.821 20 0 BCADLP Nc1ncccc1C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000629552964 361437307 /nfs/dbraw/zinc/43/73/07/361437307.db2.gz TWVHMBGIZBXTPB-WCQYABFASA-N 2 2 232.331 0.977 20 0 BCADLP Nc1ncccc1C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000629552964 361437309 /nfs/dbraw/zinc/43/73/09/361437309.db2.gz TWVHMBGIZBXTPB-WCQYABFASA-N 2 2 232.331 0.977 20 0 BCADLP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000629553914 361439883 /nfs/dbraw/zinc/43/98/83/361439883.db2.gz DRDDUCXSNUMDCY-NXEZZACHSA-N 2 2 206.293 0.359 20 0 BCADLP C[C@@H](Cc1cnccn1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000629553915 361439943 /nfs/dbraw/zinc/43/99/43/361439943.db2.gz DRDDUCXSNUMDCY-VHSXEESVSA-N 2 2 206.293 0.359 20 0 BCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000629550076 361442777 /nfs/dbraw/zinc/44/27/77/361442777.db2.gz XOGRVSFPAKGKJJ-MWLCHTKSSA-N 2 2 237.351 0.918 20 0 BCADLP CCn1nnc(C)c1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000629550076 361442784 /nfs/dbraw/zinc/44/27/84/361442784.db2.gz XOGRVSFPAKGKJJ-MWLCHTKSSA-N 2 2 237.351 0.918 20 0 BCADLP CCCCNC(=O)CC[N@H+](CC)CC[NH3+] ZINC000629557223 361445793 /nfs/dbraw/zinc/44/57/93/361445793.db2.gz YZELQLXDBVZSJR-UHFFFAOYSA-N 2 2 215.341 0.573 20 0 BCADLP CCCCNC(=O)CC[N@@H+](CC)CC[NH3+] ZINC000629557223 361445798 /nfs/dbraw/zinc/44/57/98/361445798.db2.gz YZELQLXDBVZSJR-UHFFFAOYSA-N 2 2 215.341 0.573 20 0 BCADLP C[NH2+]CCOCC[N@H+](C)Cc1ccon1 ZINC000629570361 361460757 /nfs/dbraw/zinc/46/07/57/361460757.db2.gz WKANIBBYQDUYKO-UHFFFAOYSA-N 2 2 213.281 0.342 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)Cc1ccon1 ZINC000629570361 361460758 /nfs/dbraw/zinc/46/07/58/361460758.db2.gz WKANIBBYQDUYKO-UHFFFAOYSA-N 2 2 213.281 0.342 20 0 BCADLP CCOC[C@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000629574808 361462854 /nfs/dbraw/zinc/46/28/54/361462854.db2.gz KZAZYWVZAZQVPJ-NWDGAFQWSA-N 2 2 228.336 0.333 20 0 BCADLP CCOC[C@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000629574808 361462859 /nfs/dbraw/zinc/46/28/59/361462859.db2.gz KZAZYWVZAZQVPJ-NWDGAFQWSA-N 2 2 228.336 0.333 20 0 BCADLP Cc1cnc([C@H](C)[N@H+](C)CCOCC[NH3+])o1 ZINC000629581217 361470728 /nfs/dbraw/zinc/47/07/28/361470728.db2.gz RXXPTIGEZNOJTF-JTQLQIEISA-N 2 2 227.308 0.951 20 0 BCADLP Cc1cnc([C@H](C)[N@@H+](C)CCOCC[NH3+])o1 ZINC000629581217 361470733 /nfs/dbraw/zinc/47/07/33/361470733.db2.gz RXXPTIGEZNOJTF-JTQLQIEISA-N 2 2 227.308 0.951 20 0 BCADLP Oc1cccc2c1CC[N@H+](C[C@H]1C[NH2+]CCO1)C2 ZINC000629582245 361472416 /nfs/dbraw/zinc/47/24/16/361472416.db2.gz PZSHDCBYNZTPQI-GFCCVEGCSA-N 2 2 248.326 0.739 20 0 BCADLP Oc1cccc2c1CC[N@@H+](C[C@H]1C[NH2+]CCO1)C2 ZINC000629582245 361472423 /nfs/dbraw/zinc/47/24/23/361472423.db2.gz PZSHDCBYNZTPQI-GFCCVEGCSA-N 2 2 248.326 0.739 20 0 BCADLP C[C@H]1CC[S@](=O)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000433182896 201165119 /nfs/dbraw/zinc/16/51/19/201165119.db2.gz PKZYVQOKCBBMLB-ZBEGNZNMSA-N 2 2 241.360 0.726 20 0 BCADLP C[C@H]1CC[S@](=O)CC[N@H+]1CCn1cc[nH+]c1 ZINC000433182896 201165121 /nfs/dbraw/zinc/16/51/21/201165121.db2.gz PKZYVQOKCBBMLB-ZBEGNZNMSA-N 2 2 241.360 0.726 20 0 BCADLP COC[C@]1(C)C[N@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000629594446 361486732 /nfs/dbraw/zinc/48/67/32/361486732.db2.gz CSRXJNWAZSFXHF-RYUDHWBXSA-N 2 2 228.336 0.333 20 0 BCADLP COC[C@]1(C)C[N@@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000629594446 361486736 /nfs/dbraw/zinc/48/67/36/361486736.db2.gz CSRXJNWAZSFXHF-RYUDHWBXSA-N 2 2 228.336 0.333 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000309931020 491158486 /nfs/dbraw/zinc/15/84/86/491158486.db2.gz YAERTVDZRFEJBA-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000309931020 491158487 /nfs/dbraw/zinc/15/84/87/491158487.db2.gz YAERTVDZRFEJBA-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP CCn1cc(CC[N@H+](CC)CC[NH3+])cn1 ZINC000629558092 361453176 /nfs/dbraw/zinc/45/31/76/361453176.db2.gz AHEOFRYPEMCPGQ-UHFFFAOYSA-N 2 2 210.325 0.726 20 0 BCADLP CCn1cc(CC[N@@H+](CC)CC[NH3+])cn1 ZINC000629558092 361453179 /nfs/dbraw/zinc/45/31/79/361453179.db2.gz AHEOFRYPEMCPGQ-UHFFFAOYSA-N 2 2 210.325 0.726 20 0 BCADLP [NH3+]CCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563007 361457922 /nfs/dbraw/zinc/45/79/22/361457922.db2.gz ORPYLSWOUMKNKN-RKDXNWHRSA-N 3 2 239.285 0.794 20 0 BCADLP [NH3+]CCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563007 361457927 /nfs/dbraw/zinc/45/79/27/361457927.db2.gz ORPYLSWOUMKNKN-RKDXNWHRSA-N 3 2 239.285 0.794 20 0 BCADLP CCn1ccnc1C[N@H+](C)CCOCC[NH2+]C ZINC000629654948 361558393 /nfs/dbraw/zinc/55/83/93/361558393.db2.gz UNQMIZAPFPPRBJ-UHFFFAOYSA-N 2 2 240.351 0.571 20 0 BCADLP CCn1ccnc1C[N@@H+](C)CCOCC[NH2+]C ZINC000629654948 361558397 /nfs/dbraw/zinc/55/83/97/361558397.db2.gz UNQMIZAPFPPRBJ-UHFFFAOYSA-N 2 2 240.351 0.571 20 0 BCADLP COC1(C[NH2+]C[C@@H]2C[NH2+]CCO2)CCCC1 ZINC000629648372 361540401 /nfs/dbraw/zinc/54/04/01/361540401.db2.gz LKWRCXPBHRTBKK-NSHDSACASA-N 2 2 228.336 0.524 20 0 BCADLP Cn1c[nH+]cc1CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435242978 201256685 /nfs/dbraw/zinc/25/66/85/201256685.db2.gz PQWVPACZPCAZGW-NSHDSACASA-N 2 2 220.320 0.746 20 0 BCADLP CC[N@H+](Cc1cnnn1C)[C@H]1CCC[NH2+]CC1 ZINC000435382323 201265601 /nfs/dbraw/zinc/26/56/01/201265601.db2.gz YUHNCBXPTUGGSX-NSHDSACASA-N 2 2 237.351 0.779 20 0 BCADLP CC[N@@H+](Cc1cnnn1C)[C@H]1CCC[NH2+]CC1 ZINC000435382323 201265604 /nfs/dbraw/zinc/26/56/04/201265604.db2.gz YUHNCBXPTUGGSX-NSHDSACASA-N 2 2 237.351 0.779 20 0 BCADLP COCCC[N@H+](C)CC[NH2+]CC[C@H]1CCOC1 ZINC000438188685 201396941 /nfs/dbraw/zinc/39/69/41/201396941.db2.gz KWNQZUGTZDCSCB-ZDUSSCGKSA-N 2 2 244.379 0.971 20 0 BCADLP COCCC[N@@H+](C)CC[NH2+]CC[C@H]1CCOC1 ZINC000438188685 201396943 /nfs/dbraw/zinc/39/69/43/201396943.db2.gz KWNQZUGTZDCSCB-ZDUSSCGKSA-N 2 2 244.379 0.971 20 0 BCADLP C[NH+](C)C1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000614701046 363930894 /nfs/dbraw/zinc/93/08/94/363930894.db2.gz QGVCLDAHGIDHIC-JTQLQIEISA-N 2 2 248.330 0.408 20 0 BCADLP c1nc(N2C[C@@H]3C[C@H]2C[NH2+]3)cc(NCC2CC2)[nH+]1 ZINC000630554388 364250922 /nfs/dbraw/zinc/25/09/22/364250922.db2.gz XKYHOYDGGUZZIX-QWRGUYRKSA-N 2 2 245.330 0.849 20 0 BCADLP Cc1cc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)nc[nH+]1 ZINC000630555440 364256138 /nfs/dbraw/zinc/25/61/38/364256138.db2.gz AFKIBAWNMHMIDN-AOOOYVTPSA-N 2 2 204.277 0.726 20 0 BCADLP Cc1n[nH]cc1C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000398956740 364279844 /nfs/dbraw/zinc/27/98/44/364279844.db2.gz IRPBKSGFGBXDAW-LDYMZIIASA-N 2 2 208.309 0.948 20 0 BCADLP C[C@@H]1CC[C@@H](NCc2[nH+]ccn2C)C[NH2+]1 ZINC000398958580 364280171 /nfs/dbraw/zinc/28/01/71/364280171.db2.gz KLDSKFQVUAMSNC-NXEZZACHSA-N 2 2 208.309 0.650 20 0 BCADLP C[C@@H](NC(=O)C1([NH+](C)C)CC1)c1[nH]cc[nH+]1 ZINC000615158279 364549189 /nfs/dbraw/zinc/54/91/89/364549189.db2.gz LWEBCZIRHKBRGR-MRVPVSSYSA-N 2 2 222.292 0.681 20 0 BCADLP CC[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093188850 364691158 /nfs/dbraw/zinc/69/11/58/364691158.db2.gz MPQGNWCMTWCCPA-GFCCVEGCSA-N 2 2 239.363 0.492 20 0 BCADLP CC[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093188850 364691165 /nfs/dbraw/zinc/69/11/65/364691165.db2.gz MPQGNWCMTWCCPA-GFCCVEGCSA-N 2 2 239.363 0.492 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1CCCC1=O ZINC000573330599 364794349 /nfs/dbraw/zinc/79/43/49/364794349.db2.gz ZJTPMHXIRHTKQY-WDEREUQCSA-N 2 2 225.336 0.149 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1CCCC1=O ZINC000573330599 364794353 /nfs/dbraw/zinc/79/43/53/364794353.db2.gz ZJTPMHXIRHTKQY-WDEREUQCSA-N 2 2 225.336 0.149 20 0 BCADLP Cc1ccnc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000328306438 364824377 /nfs/dbraw/zinc/82/43/77/364824377.db2.gz VSIZZLBFECJQMG-AWEZNQCLSA-N 2 2 249.358 0.935 20 0 BCADLP Cc1ccnc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000328306438 364824384 /nfs/dbraw/zinc/82/43/84/364824384.db2.gz VSIZZLBFECJQMG-AWEZNQCLSA-N 2 2 249.358 0.935 20 0 BCADLP C[NH2+][C@@H](C)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000573696893 364896822 /nfs/dbraw/zinc/89/68/22/364896822.db2.gz MHXOTTZHSSPWGH-VIFPVBQESA-N 3 2 245.286 0.814 20 0 BCADLP C[N@@H+]1CCN(C(=O)NCC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000573941834 364951941 /nfs/dbraw/zinc/95/19/41/364951941.db2.gz ZFNAAQKAAWXUMX-JTQLQIEISA-N 2 2 242.367 0.317 20 0 BCADLP C[N@H+]1CCN(C(=O)NCC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000573941834 364951944 /nfs/dbraw/zinc/95/19/44/364951944.db2.gz ZFNAAQKAAWXUMX-JTQLQIEISA-N 2 2 242.367 0.317 20 0 BCADLP C[NH2+]Cc1noc([C@H]2CC[NH2+][C@@H]2C(C)C)n1 ZINC000573964265 364955546 /nfs/dbraw/zinc/95/55/46/364955546.db2.gz XSMZXUDQIFIHLD-WCBMZHEXSA-N 2 2 224.308 0.891 20 0 BCADLP C[NH2+]Cc1noc([C@H]2CC[NH2+][C@H]2C(C)C)n1 ZINC000573964266 364955710 /nfs/dbraw/zinc/95/57/10/364955710.db2.gz XSMZXUDQIFIHLD-WPRPVWTQSA-N 2 2 224.308 0.891 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc[nH+]cc1O ZINC000574036530 364972233 /nfs/dbraw/zinc/97/22/33/364972233.db2.gz UHOBHHXJBIIMAT-IUCAKERBSA-N 2 2 235.287 0.536 20 0 BCADLP CC(C)C(=O)NCC[N@@H+](C)C[C@@H](C)[NH3+] ZINC000574084032 364983534 /nfs/dbraw/zinc/98/35/34/364983534.db2.gz MTUXUEMNWHROOA-SECBINFHSA-N 2 2 201.314 0.038 20 0 BCADLP CC(C)C(=O)NCC[N@H+](C)C[C@@H](C)[NH3+] ZINC000574084032 364983540 /nfs/dbraw/zinc/98/35/40/364983540.db2.gz MTUXUEMNWHROOA-SECBINFHSA-N 2 2 201.314 0.038 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1CCCC1 ZINC000168953957 365044219 /nfs/dbraw/zinc/04/42/19/365044219.db2.gz BQZQYANQFFVCAF-GHMZBOCLSA-N 2 2 225.336 0.420 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1CCCC1 ZINC000168953957 365044229 /nfs/dbraw/zinc/04/42/29/365044229.db2.gz BQZQYANQFFVCAF-GHMZBOCLSA-N 2 2 225.336 0.420 20 0 BCADLP [NH3+]CCN1CC[NH+](Cc2cccnc2)CC1 ZINC000037039584 181391582 /nfs/dbraw/zinc/39/15/82/181391582.db2.gz VWWVVWYWSHOHFY-UHFFFAOYSA-N 2 2 220.320 0.158 20 0 BCADLP NC(=O)CC[N@H+](CC[NH3+])Cc1ccccc1 ZINC000038033215 181390066 /nfs/dbraw/zinc/39/00/66/181390066.db2.gz YOCDRVFIQXKAHE-UHFFFAOYSA-N 2 2 221.304 0.323 20 0 BCADLP NC(=O)CC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000038033215 181390068 /nfs/dbraw/zinc/39/00/68/181390068.db2.gz YOCDRVFIQXKAHE-UHFFFAOYSA-N 2 2 221.304 0.323 20 0 BCADLP COc1nccc(C[NH2+]Cc2c[nH+]c(C)n2C)n1 ZINC000574585193 365098571 /nfs/dbraw/zinc/09/85/71/365098571.db2.gz RKISBNMVWQOEAB-UHFFFAOYSA-N 2 2 247.302 0.817 20 0 BCADLP O[C@H](C[NH2+]CCCn1cc[nH+]c1)Cn1cccn1 ZINC000574632309 365106524 /nfs/dbraw/zinc/10/65/24/365106524.db2.gz SVOVFLZCNCDLMI-GFCCVEGCSA-N 2 2 249.318 0.120 20 0 BCADLP [NH3+]CCOCC[N@@H+]1C[C@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000357079023 181399456 /nfs/dbraw/zinc/39/94/56/181399456.db2.gz CINDXXVGUIYAJI-KBPBESRZSA-N 3 2 249.358 0.388 20 0 BCADLP [NH3+]CCOCC[N@H+]1C[C@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000357079023 181399457 /nfs/dbraw/zinc/39/94/57/181399457.db2.gz CINDXXVGUIYAJI-KBPBESRZSA-N 3 2 249.358 0.388 20 0 BCADLP O[C@@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C(F)(F)F ZINC000574751332 365132551 /nfs/dbraw/zinc/13/25/51/365132551.db2.gz VSIOWGCQDUAHSE-MUWHJKNJSA-N 2 2 249.236 0.780 20 0 BCADLP O[C@@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C(F)(F)F ZINC000574751332 365132556 /nfs/dbraw/zinc/13/25/56/365132556.db2.gz VSIOWGCQDUAHSE-MUWHJKNJSA-N 2 2 249.236 0.780 20 0 BCADLP CN(CCCn1cc[nH+]c1)C(=O)C1([NH3+])CCC1 ZINC000574873741 365163452 /nfs/dbraw/zinc/16/34/52/365163452.db2.gz BJDDBDAXBPUNGP-UHFFFAOYSA-N 2 2 236.319 0.613 20 0 BCADLP Cc1[nH+]cc(CNCC2([NH+](C)C)CC2)n1C ZINC000575138425 365220047 /nfs/dbraw/zinc/22/00/47/365220047.db2.gz BCJWUMDOSMLTMV-UHFFFAOYSA-N 2 2 222.336 0.912 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCn2ncnc2C1 ZINC000575134167 365216587 /nfs/dbraw/zinc/21/65/87/365216587.db2.gz LFTFRVMUXYMRST-UHFFFAOYSA-N 2 2 246.318 0.460 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CCn2ncnc2C1 ZINC000575134167 365216593 /nfs/dbraw/zinc/21/65/93/365216593.db2.gz LFTFRVMUXYMRST-UHFFFAOYSA-N 2 2 246.318 0.460 20 0 BCADLP O=C(NCCc1cn2ccccc2[nH+]1)[C@H]1CC[NH2+]1 ZINC000444170114 193039625 /nfs/dbraw/zinc/03/96/25/193039625.db2.gz RJZWIKQQIDUJOF-LLVKDONJSA-N 2 2 244.298 0.355 20 0 BCADLP O=C(NCCCCNc1cccc[nH+]1)[C@H]1CC[NH2+]1 ZINC000444176371 193040553 /nfs/dbraw/zinc/04/05/53/193040553.db2.gz OXCYNEANELPMCP-LLVKDONJSA-N 2 2 248.330 0.752 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000575393914 365307078 /nfs/dbraw/zinc/30/70/78/365307078.db2.gz DZMKACVOOZIADB-PWSUYJOCSA-N 2 2 248.330 0.482 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000575393914 365307087 /nfs/dbraw/zinc/30/70/87/365307087.db2.gz DZMKACVOOZIADB-PWSUYJOCSA-N 2 2 248.330 0.482 20 0 BCADLP CC(C)[C@H](NC(=O)C[NH2+]C1CC1)c1[nH]cc[nH+]1 ZINC000575801169 365366920 /nfs/dbraw/zinc/36/69/20/365366920.db2.gz ILPNRBUAGBQDRY-NSHDSACASA-N 2 2 236.319 0.975 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CC[C@H]([NH2+]C)C1 ZINC000579713019 366989145 /nfs/dbraw/zinc/98/91/45/366989145.db2.gz VVHXLTRTVDQDOD-JTQLQIEISA-N 2 2 213.325 0.149 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CC[C@H]([NH2+]C)C1 ZINC000579713019 366989148 /nfs/dbraw/zinc/98/91/48/366989148.db2.gz VVHXLTRTVDQDOD-JTQLQIEISA-N 2 2 213.325 0.149 20 0 BCADLP C[NH2+]CCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000579811948 367018399 /nfs/dbraw/zinc/01/83/99/367018399.db2.gz ZZXZNFUNGGGLRW-UHFFFAOYSA-N 2 2 233.275 0.675 20 0 BCADLP OCCC[N@@H+]1CCC[C@@H]([NH2+]CC2(O)CCC2)C1 ZINC000579952636 367099713 /nfs/dbraw/zinc/09/97/13/367099713.db2.gz IREMSZWBZBZZTL-GFCCVEGCSA-N 2 2 242.363 0.338 20 0 BCADLP OCCC[N@H+]1CCC[C@@H]([NH2+]CC2(O)CCC2)C1 ZINC000579952636 367099720 /nfs/dbraw/zinc/09/97/20/367099720.db2.gz IREMSZWBZBZZTL-GFCCVEGCSA-N 2 2 242.363 0.338 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCn1cccn1 ZINC000580841202 367185620 /nfs/dbraw/zinc/18/56/20/367185620.db2.gz JDQSSQKLBQGFEO-GFCCVEGCSA-N 2 2 240.351 0.128 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCn1cccn1 ZINC000580841202 367185627 /nfs/dbraw/zinc/18/56/27/367185627.db2.gz JDQSSQKLBQGFEO-GFCCVEGCSA-N 2 2 240.351 0.128 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCn1cccn1 ZINC000580841202 367185631 /nfs/dbraw/zinc/18/56/31/367185631.db2.gz JDQSSQKLBQGFEO-GFCCVEGCSA-N 2 2 240.351 0.128 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCn1cccn1 ZINC000580841202 367185636 /nfs/dbraw/zinc/18/56/36/367185636.db2.gz JDQSSQKLBQGFEO-GFCCVEGCSA-N 2 2 240.351 0.128 20 0 BCADLP CSC[C@@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000580948264 367213381 /nfs/dbraw/zinc/21/33/81/367213381.db2.gz NTDQZKIPSLNRCY-IUCAKERBSA-N 2 2 241.360 0.581 20 0 BCADLP CSC[C@@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000580948264 367213389 /nfs/dbraw/zinc/21/33/89/367213389.db2.gz NTDQZKIPSLNRCY-IUCAKERBSA-N 2 2 241.360 0.581 20 0 BCADLP C[C@H](CC(=O)NC[C@@H]([NH3+])C1CC1)n1cc[nH+]c1 ZINC000580959698 367218803 /nfs/dbraw/zinc/21/88/03/367218803.db2.gz YTYTUQAALRBAQQ-MWLCHTKSSA-N 2 2 236.319 0.688 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581076393 367254927 /nfs/dbraw/zinc/25/49/27/367254927.db2.gz FHELIFQAHBLMCQ-AXFHLTTASA-N 2 2 216.325 0.066 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581076393 367254929 /nfs/dbraw/zinc/25/49/29/367254929.db2.gz FHELIFQAHBLMCQ-AXFHLTTASA-N 2 2 216.325 0.066 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000581321666 367348689 /nfs/dbraw/zinc/34/86/89/367348689.db2.gz UREVUJIOUTVCBP-MRVPVSSYSA-N 2 2 224.308 0.343 20 0 BCADLP Cc1nn(C)cc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194541141 367303850 /nfs/dbraw/zinc/30/38/50/367303850.db2.gz VVJUVFYGPNBZLR-BETUJISGSA-N 2 2 234.347 0.722 20 0 BCADLP Cc1nn(C)cc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194541141 367303853 /nfs/dbraw/zinc/30/38/53/367303853.db2.gz VVJUVFYGPNBZLR-BETUJISGSA-N 2 2 234.347 0.722 20 0 BCADLP Cc1nn(C)cc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194541141 367303856 /nfs/dbraw/zinc/30/38/56/367303856.db2.gz VVJUVFYGPNBZLR-BETUJISGSA-N 2 2 234.347 0.722 20 0 BCADLP Cc1nn(C)cc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000194541141 367303858 /nfs/dbraw/zinc/30/38/58/367303858.db2.gz VVJUVFYGPNBZLR-BETUJISGSA-N 2 2 234.347 0.722 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)CCOC[C@@H]1CCCO1 ZINC000381423038 367400591 /nfs/dbraw/zinc/40/05/91/367400591.db2.gz XWZYRIYYYZUPBZ-QWRGUYRKSA-N 2 2 216.325 0.461 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)CCOC[C@@H]1CCCO1 ZINC000381423038 367400594 /nfs/dbraw/zinc/40/05/94/367400594.db2.gz XWZYRIYYYZUPBZ-QWRGUYRKSA-N 2 2 216.325 0.461 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)CC(F)(F)C[NH3+] ZINC000581377098 367409686 /nfs/dbraw/zinc/40/96/86/367409686.db2.gz BETQPIOEWKEMRG-UHFFFAOYSA-N 2 2 232.234 0.318 20 0 BCADLP C[NH2+]CC[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000382191413 367496757 /nfs/dbraw/zinc/49/67/57/367496757.db2.gz HSFSROZKSKPUFC-WDEREUQCSA-N 2 2 200.326 0.689 20 0 BCADLP C[NH2+]CC[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000382191413 367496761 /nfs/dbraw/zinc/49/67/61/367496761.db2.gz HSFSROZKSKPUFC-WDEREUQCSA-N 2 2 200.326 0.689 20 0 BCADLP CC[C@H]([NH3+])CNC(=O)Nc1cc(C)[nH+]cc1C ZINC000581417354 367459602 /nfs/dbraw/zinc/45/96/02/367459602.db2.gz YGKPWHVGVZFIGS-JTQLQIEISA-N 2 2 236.319 0.979 20 0 BCADLP CCC1(C)C[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000381820732 367460766 /nfs/dbraw/zinc/46/07/66/367460766.db2.gz HSPJPLBCHFXBPK-GFCCVEGCSA-N 2 2 244.379 0.657 20 0 BCADLP CCC1(C)C[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000381820732 367460771 /nfs/dbraw/zinc/46/07/71/367460771.db2.gz HSPJPLBCHFXBPK-GFCCVEGCSA-N 2 2 244.379 0.657 20 0 BCADLP [NH3+]C[C@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000382515707 367532185 /nfs/dbraw/zinc/53/21/85/367532185.db2.gz REBOASAUVSDMJH-WDEREUQCSA-N 2 2 236.319 0.517 20 0 BCADLP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000581606289 367630513 /nfs/dbraw/zinc/63/05/13/367630513.db2.gz BPQXMKKYGHCXFR-APPZFPTMSA-N 2 2 242.348 0.242 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C)(OC)CC1 ZINC000383598955 367643503 /nfs/dbraw/zinc/64/35/03/367643503.db2.gz PRPJINDCHROESQ-LBPRGKRZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(OC)CC1 ZINC000383598955 367643506 /nfs/dbraw/zinc/64/35/06/367643506.db2.gz PRPJINDCHROESQ-LBPRGKRZSA-N 2 2 244.379 0.800 20 0 BCADLP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000383644573 367646828 /nfs/dbraw/zinc/64/68/28/367646828.db2.gz CDKUAMJBUBDWQD-WCQYABFASA-N 3 2 243.395 0.371 20 0 BCADLP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000383644573 367646834 /nfs/dbraw/zinc/64/68/34/367646834.db2.gz CDKUAMJBUBDWQD-WCQYABFASA-N 3 2 243.395 0.371 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C(C)(C)[C@H](C)O)n1C ZINC000565962260 325979451 /nfs/dbraw/zinc/97/94/51/325979451.db2.gz HTZPJHOWXNCGMA-QMMMGPOBSA-N 2 2 211.309 0.978 20 0 BCADLP CC[C@@H](NC(=O)Cn1cc[nH+]c1)c1[nH]cc[nH+]1 ZINC000383820029 367654327 /nfs/dbraw/zinc/65/43/27/367654327.db2.gz WLLCKPHVPCDVMU-SECBINFHSA-N 2 2 233.275 0.874 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000581675869 367704349 /nfs/dbraw/zinc/70/43/49/367704349.db2.gz GXHRLGHNYOXASY-SECBINFHSA-N 2 2 236.319 0.676 20 0 BCADLP CC[C@@H](C)C[N@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000384040517 367669152 /nfs/dbraw/zinc/66/91/52/367669152.db2.gz UZUPOSRVOHVWHP-OLZOCXBDSA-N 2 2 246.395 0.903 20 0 BCADLP CC[C@@H](C)C[N@@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000384040517 367669154 /nfs/dbraw/zinc/66/91/54/367669154.db2.gz UZUPOSRVOHVWHP-OLZOCXBDSA-N 2 2 246.395 0.903 20 0 BCADLP CC[C@@H](C)C[NH+](C)C[C@@H](O)C[N@H+](C)CCOC ZINC000384040517 367669155 /nfs/dbraw/zinc/66/91/55/367669155.db2.gz UZUPOSRVOHVWHP-OLZOCXBDSA-N 2 2 246.395 0.903 20 0 BCADLP CC[C@@H](C)C[NH+](C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000384040517 367669157 /nfs/dbraw/zinc/66/91/57/367669157.db2.gz UZUPOSRVOHVWHP-OLZOCXBDSA-N 2 2 246.395 0.903 20 0 BCADLP CC[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000384060018 367671109 /nfs/dbraw/zinc/67/11/09/367671109.db2.gz XZNPOQRWDQYZGT-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000384060018 367671112 /nfs/dbraw/zinc/67/11/12/367671112.db2.gz XZNPOQRWDQYZGT-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC000384060018 367671115 /nfs/dbraw/zinc/67/11/15/367671115.db2.gz XZNPOQRWDQYZGT-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000384060018 367671117 /nfs/dbraw/zinc/67/11/17/367671117.db2.gz XZNPOQRWDQYZGT-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP O=C(NCCCCn1cc[nH+]c1)[C@H]1CC[NH2+]1 ZINC000384837289 367740565 /nfs/dbraw/zinc/74/05/65/367740565.db2.gz PZGJZVREIBMOFI-SNVBAGLBSA-N 2 2 222.292 0.141 20 0 BCADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1([NH3+])CCC1 ZINC000332422365 181428748 /nfs/dbraw/zinc/42/87/48/181428748.db2.gz CXHBVWQQPALXCE-WDEREUQCSA-N 3 2 211.353 0.975 20 0 BCADLP CN(Cc1c[nH+]cn1C)C1(C[NH3+])CCC1 ZINC000385144007 367801621 /nfs/dbraw/zinc/80/16/21/367801621.db2.gz HZCJVDSJVABORZ-UHFFFAOYSA-N 2 2 208.309 0.733 20 0 BCADLP Cc1cc(NC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c(C)c[nH+]1 ZINC000581872438 367861782 /nfs/dbraw/zinc/86/17/82/367861782.db2.gz GAWWYSJHYGPCJB-MWLCHTKSSA-N 2 2 248.330 0.931 20 0 BCADLP CC(C)CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000087613525 367917145 /nfs/dbraw/zinc/91/71/45/367917145.db2.gz GTFUOGSQLZZQOF-SNVBAGLBSA-N 2 2 213.325 0.134 20 0 BCADLP CC(C)CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000087613525 367917147 /nfs/dbraw/zinc/91/71/47/367917147.db2.gz GTFUOGSQLZZQOF-SNVBAGLBSA-N 2 2 213.325 0.134 20 0 BCADLP COCC[NH2+]CC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000385989862 367893808 /nfs/dbraw/zinc/89/38/08/367893808.db2.gz ARVIIIITAHLTGL-OUAUKWLOSA-N 2 2 200.326 0.857 20 0 BCADLP C[C@H]([NH2+]C[C@H]1COCCO1)[C@@H]1CCCC[NH2+]1 ZINC000386561402 367992231 /nfs/dbraw/zinc/99/22/31/367992231.db2.gz JDQQBVMYAYVZEV-SRVKXCTJSA-N 2 2 228.336 0.522 20 0 BCADLP CCC[N@H+](CCN1CC[NH2+]CC1)CC(F)F ZINC000386435875 367971302 /nfs/dbraw/zinc/97/13/02/367971302.db2.gz RRFWPJJGWPTXDR-UHFFFAOYSA-N 2 2 235.322 0.869 20 0 BCADLP CCC[N@@H+](CCN1CC[NH2+]CC1)CC(F)F ZINC000386435875 367971308 /nfs/dbraw/zinc/97/13/08/367971308.db2.gz RRFWPJJGWPTXDR-UHFFFAOYSA-N 2 2 235.322 0.869 20 0 BCADLP C[C@H]([NH3+])C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000566562273 326064216 /nfs/dbraw/zinc/06/42/16/326064216.db2.gz SJMHCOITZFBEHJ-WCFLWFBJSA-N 3 2 241.379 0.552 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)CC1(O)CCC1 ZINC000566569509 326065473 /nfs/dbraw/zinc/06/54/73/326065473.db2.gz VMECHYMJXMHEPG-NSHDSACASA-N 2 2 230.352 0.146 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CC1(O)CCC1 ZINC000566569509 326065475 /nfs/dbraw/zinc/06/54/75/326065475.db2.gz VMECHYMJXMHEPG-NSHDSACASA-N 2 2 230.352 0.146 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CC1(O)CCC1 ZINC000566569509 326065477 /nfs/dbraw/zinc/06/54/77/326065477.db2.gz VMECHYMJXMHEPG-NSHDSACASA-N 2 2 230.352 0.146 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CC1(O)CCC1 ZINC000566569509 326065480 /nfs/dbraw/zinc/06/54/80/326065480.db2.gz VMECHYMJXMHEPG-NSHDSACASA-N 2 2 230.352 0.146 20 0 BCADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@H]1F)C1CC1 ZINC000567104544 326116704 /nfs/dbraw/zinc/11/67/04/326116704.db2.gz SVAJORCDFNNWQE-UTUOFQBUSA-N 2 2 230.327 0.922 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@H]1F)C1CC1 ZINC000567104544 326116706 /nfs/dbraw/zinc/11/67/06/326116706.db2.gz SVAJORCDFNNWQE-UTUOFQBUSA-N 2 2 230.327 0.922 20 0 BCADLP c1cnn(CC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631888796 370910935 /nfs/dbraw/zinc/91/09/35/370910935.db2.gz BCAJPALYDJMXMW-OLZOCXBDSA-N 2 2 234.347 0.957 20 0 BCADLP c1cnn(CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631888796 370910940 /nfs/dbraw/zinc/91/09/40/370910940.db2.gz BCAJPALYDJMXMW-OLZOCXBDSA-N 2 2 234.347 0.957 20 0 BCADLP CN1CCC[C@H]([N@@H+]2CCCCC[C@@H]([NH3+])C2)C1=O ZINC000631835790 369048592 /nfs/dbraw/zinc/04/85/92/369048592.db2.gz XWLMDWBMGWGURJ-NEPJUHHUSA-N 2 2 239.363 0.811 20 0 BCADLP CN1CCC[C@H]([N@H+]2CCCCC[C@@H]([NH3+])C2)C1=O ZINC000631835790 369048595 /nfs/dbraw/zinc/04/85/95/369048595.db2.gz XWLMDWBMGWGURJ-NEPJUHHUSA-N 2 2 239.363 0.811 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000631827290 368991596 /nfs/dbraw/zinc/99/15/96/368991596.db2.gz KMPKZSIWXXXNQY-GUBZILKMSA-N 2 2 221.308 0.187 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000631827290 368991602 /nfs/dbraw/zinc/99/16/02/368991602.db2.gz KMPKZSIWXXXNQY-GUBZILKMSA-N 2 2 221.308 0.187 20 0 BCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000050249262 181465004 /nfs/dbraw/zinc/46/50/04/181465004.db2.gz SUYYXQWCRZVAKK-CYBMUJFWSA-N 2 2 247.342 0.583 20 0 BCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC000050249262 181465007 /nfs/dbraw/zinc/46/50/07/181465007.db2.gz SUYYXQWCRZVAKK-CYBMUJFWSA-N 2 2 247.342 0.583 20 0 BCADLP CCn1nccc1CC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631861540 369469332 /nfs/dbraw/zinc/46/93/32/369469332.db2.gz DBYUNUUWMIVLPH-MNOVXSKESA-N 2 2 222.336 0.867 20 0 BCADLP CCn1nccc1CC[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631861540 369469335 /nfs/dbraw/zinc/46/93/35/369469335.db2.gz DBYUNUUWMIVLPH-MNOVXSKESA-N 2 2 222.336 0.867 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCOC1CCOCC1 ZINC000631862295 369504173 /nfs/dbraw/zinc/50/41/73/369504173.db2.gz NUSZGHFCFLYLMM-WDEREUQCSA-N 2 2 228.336 0.604 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCOC1CCOCC1 ZINC000631862295 369504177 /nfs/dbraw/zinc/50/41/77/369504177.db2.gz NUSZGHFCFLYLMM-WDEREUQCSA-N 2 2 228.336 0.604 20 0 BCADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@H](C)O)C1 ZINC000250705446 369579739 /nfs/dbraw/zinc/57/97/39/369579739.db2.gz BVXJTBWAVOGAIK-WDEREUQCSA-N 2 2 200.326 0.830 20 0 BCADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@H](C)O)C1 ZINC000250705446 369579742 /nfs/dbraw/zinc/57/97/42/369579742.db2.gz BVXJTBWAVOGAIK-WDEREUQCSA-N 2 2 200.326 0.830 20 0 BCADLP C[C@H](C[NH2+][C@@H](C)[C@@H](C)O)C[NH+]1CCOCC1 ZINC000568078023 326305314 /nfs/dbraw/zinc/30/53/14/326305314.db2.gz BZZKCTQQVWPXFC-GRYCIOLGSA-N 2 2 230.352 0.314 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251806121 369971025 /nfs/dbraw/zinc/97/10/25/369971025.db2.gz OIYXNIKQUJKSCD-HBNTYKKESA-N 2 2 228.336 0.997 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251806121 369971028 /nfs/dbraw/zinc/97/10/28/369971028.db2.gz OIYXNIKQUJKSCD-HBNTYKKESA-N 2 2 228.336 0.997 20 0 BCADLP Cn1c[nH+]cc1CCC[NH+]1CC(C)(C(N)=O)C1 ZINC000568182259 326322283 /nfs/dbraw/zinc/32/22/83/326322283.db2.gz JZDSSTWOPSQCHJ-UHFFFAOYSA-N 2 2 236.319 0.160 20 0 BCADLP C[NH+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000568184965 326322677 /nfs/dbraw/zinc/32/26/77/326322677.db2.gz OOUAAOFWUNKPAV-UHFFFAOYSA-N 2 2 225.336 0.102 20 0 BCADLP Cc1noc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000252868096 370138085 /nfs/dbraw/zinc/13/80/85/370138085.db2.gz RHCOBNMGNLQXJO-GARJFASQSA-N 2 2 236.319 0.937 20 0 BCADLP Cc1noc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000252868096 370138088 /nfs/dbraw/zinc/13/80/88/370138088.db2.gz RHCOBNMGNLQXJO-GARJFASQSA-N 2 2 236.319 0.937 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000309831899 370265580 /nfs/dbraw/zinc/26/55/80/370265580.db2.gz YSQMRVKDWGGRMO-IJLUTSLNSA-N 3 2 211.353 0.655 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000309831899 370265585 /nfs/dbraw/zinc/26/55/85/370265585.db2.gz YSQMRVKDWGGRMO-IJLUTSLNSA-N 3 2 211.353 0.655 20 0 BCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC2(C)C)CC1 ZINC000310257901 370329133 /nfs/dbraw/zinc/32/91/33/370329133.db2.gz FSOOLWZURCHWGK-NSHDSACASA-N 2 2 239.363 0.539 20 0 BCADLP C[N@H+](C[C@H](O)C[NH2+]CCOCC1CC1)C1CC1 ZINC000310392440 370342498 /nfs/dbraw/zinc/34/24/98/370342498.db2.gz LEYHSSOSDZGZIU-CYBMUJFWSA-N 2 2 242.363 0.458 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH2+]CCOCC1CC1)C1CC1 ZINC000310392440 370342503 /nfs/dbraw/zinc/34/25/03/370342503.db2.gz LEYHSSOSDZGZIU-CYBMUJFWSA-N 2 2 242.363 0.458 20 0 BCADLP Cn1cc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000621783110 370531684 /nfs/dbraw/zinc/53/16/84/370531684.db2.gz XFTBGSANGLCBAZ-VXGBXAGGSA-N 2 2 220.320 0.733 20 0 BCADLP Cn1cc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000621783110 370531692 /nfs/dbraw/zinc/53/16/92/370531692.db2.gz XFTBGSANGLCBAZ-VXGBXAGGSA-N 2 2 220.320 0.733 20 0 BCADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](CC(=O)N1CCCC1)C2 ZINC000621784415 370535167 /nfs/dbraw/zinc/53/51/67/370535167.db2.gz ONMSBMQZPGHZEJ-WCQYABFASA-N 2 2 237.347 0.422 20 0 BCADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCCC1)C2 ZINC000621784415 370535172 /nfs/dbraw/zinc/53/51/72/370535172.db2.gz ONMSBMQZPGHZEJ-WCQYABFASA-N 2 2 237.347 0.422 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1COCC1(C)C ZINC000313058188 370567135 /nfs/dbraw/zinc/56/71/35/370567135.db2.gz DIYGVWIGLYMROC-WDEREUQCSA-N 2 2 230.352 0.314 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1COCC1(C)C ZINC000313058188 370567137 /nfs/dbraw/zinc/56/71/37/370567137.db2.gz DIYGVWIGLYMROC-WDEREUQCSA-N 2 2 230.352 0.314 20 0 BCADLP Cc1cc(N2C[C@H]3C[NH2+]C[C@@H]3C2)nc[nH+]1 ZINC000078522937 370572186 /nfs/dbraw/zinc/57/21/86/370572186.db2.gz ZRBGEYRLIUJAMX-NXEZZACHSA-N 2 2 204.277 0.441 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+]C2CCSCC2)C1 ZINC000623836977 371119254 /nfs/dbraw/zinc/11/92/54/371119254.db2.gz SCNXZNWIRFVOIJ-NSHDSACASA-N 2 2 230.377 0.538 20 0 BCADLP O[C@H]1CC[N@@H+](CC[NH2+]C2CCSCC2)C1 ZINC000623836977 371119256 /nfs/dbraw/zinc/11/92/56/371119256.db2.gz SCNXZNWIRFVOIJ-NSHDSACASA-N 2 2 230.377 0.538 20 0 BCADLP CC[C@H](C)C[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000623837665 371121086 /nfs/dbraw/zinc/12/10/86/371121086.db2.gz OMCFCSFIMYMWML-QWRGUYRKSA-N 2 2 200.326 0.689 20 0 BCADLP CC[C@H](C)C[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000623837665 371121092 /nfs/dbraw/zinc/12/10/92/371121092.db2.gz OMCFCSFIMYMWML-QWRGUYRKSA-N 2 2 200.326 0.689 20 0 BCADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)[C@H]1C[C@H]1C ZINC000623838189 371121247 /nfs/dbraw/zinc/12/12/47/371121247.db2.gz JZCVBZXSHHAOLS-RHYQMDGZSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)[C@H]1C[C@H]1C ZINC000623838189 371121252 /nfs/dbraw/zinc/12/12/52/371121252.db2.gz JZCVBZXSHHAOLS-RHYQMDGZSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@H](O)CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000389962367 371181606 /nfs/dbraw/zinc/18/16/06/371181606.db2.gz WGQLKCYCVQGEFT-NHCYSSNCSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H](O)CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000389962367 371181610 /nfs/dbraw/zinc/18/16/10/371181610.db2.gz WGQLKCYCVQGEFT-NHCYSSNCSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH+](C)C ZINC000280395330 371320209 /nfs/dbraw/zinc/32/02/09/371320209.db2.gz VFZGEQZCWKQJIO-VIFPVBQESA-N 2 2 224.308 0.409 20 0 BCADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH+](C)C ZINC000280395330 371320212 /nfs/dbraw/zinc/32/02/12/371320212.db2.gz VFZGEQZCWKQJIO-VIFPVBQESA-N 2 2 224.308 0.409 20 0 BCADLP CC[NH+]1CCC([NH2+]CCN2CC[C@@H](O)C2)CC1 ZINC000624226018 371413674 /nfs/dbraw/zinc/41/36/74/371413674.db2.gz HZNICBXPJFLAOD-CYBMUJFWSA-N 2 2 241.379 0.127 20 0 BCADLP CCOC1CC([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000624336548 371486841 /nfs/dbraw/zinc/48/68/41/371486841.db2.gz UCVDSTQUGADWJL-CXQJBGSLSA-N 2 2 228.336 0.210 20 0 BCADLP CCOC1CC([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000624336548 371486846 /nfs/dbraw/zinc/48/68/46/371486846.db2.gz UCVDSTQUGADWJL-CXQJBGSLSA-N 2 2 228.336 0.210 20 0 BCADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624338854 371487818 /nfs/dbraw/zinc/48/78/18/371487818.db2.gz FTANRMSSLHKKLF-GRYCIOLGSA-N 2 2 212.337 0.831 20 0 BCADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624338854 371487821 /nfs/dbraw/zinc/48/78/21/371487821.db2.gz FTANRMSSLHKKLF-GRYCIOLGSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@H](Cc1ccoc1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624339315 371487872 /nfs/dbraw/zinc/48/78/72/371487872.db2.gz OBVHOEFKVAMYFW-YPMHNXCESA-N 2 2 238.331 0.867 20 0 BCADLP C[C@H](Cc1ccoc1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624339315 371487875 /nfs/dbraw/zinc/48/78/75/371487875.db2.gz OBVHOEFKVAMYFW-YPMHNXCESA-N 2 2 238.331 0.867 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+][C@H]2CCCSCC2)C1 ZINC000624338821 371488484 /nfs/dbraw/zinc/48/84/84/371488484.db2.gz FCNOIGOYOBQDAU-RYUDHWBXSA-N 2 2 244.404 0.928 20 0 BCADLP O[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCCSCC2)C1 ZINC000624338821 371488492 /nfs/dbraw/zinc/48/84/92/371488492.db2.gz FCNOIGOYOBQDAU-RYUDHWBXSA-N 2 2 244.404 0.928 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCOC[C@H]1O ZINC000624236686 371424892 /nfs/dbraw/zinc/42/48/92/371424892.db2.gz HZIUHZWKUSWMGO-FOUMNBMASA-N 2 2 240.347 0.209 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCOC[C@H]1O ZINC000624236686 371424894 /nfs/dbraw/zinc/42/48/94/371424894.db2.gz HZIUHZWKUSWMGO-FOUMNBMASA-N 2 2 240.347 0.209 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@H]2O)C[N@@H+]1C1CC1 ZINC000624237270 371424967 /nfs/dbraw/zinc/42/49/67/371424967.db2.gz TVUURINJQVKRPU-LYIQGSDWSA-N 2 2 240.347 0.351 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@H]2O)C[N@H+]1C1CC1 ZINC000624237270 371424970 /nfs/dbraw/zinc/42/49/70/371424970.db2.gz TVUURINJQVKRPU-LYIQGSDWSA-N 2 2 240.347 0.351 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627368545 371585402 /nfs/dbraw/zinc/58/54/02/371585402.db2.gz XJYHZNSLTZJMHH-LLVKDONJSA-N 2 2 234.303 0.389 20 0 BCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627368545 371585409 /nfs/dbraw/zinc/58/54/09/371585409.db2.gz XJYHZNSLTZJMHH-LLVKDONJSA-N 2 2 234.303 0.389 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627368545 371585413 /nfs/dbraw/zinc/58/54/13/371585413.db2.gz XJYHZNSLTZJMHH-LLVKDONJSA-N 2 2 234.303 0.389 20 0 BCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627368545 371585419 /nfs/dbraw/zinc/58/54/19/371585419.db2.gz XJYHZNSLTZJMHH-LLVKDONJSA-N 2 2 234.303 0.389 20 0 BCADLP CCC[N@H+](C)CC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627366929 371585901 /nfs/dbraw/zinc/58/59/01/371585901.db2.gz FYDHVOBMVFDSOY-UHFFFAOYSA-N 2 2 236.319 0.636 20 0 BCADLP CCC[N@@H+](C)CC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627366929 371585905 /nfs/dbraw/zinc/58/59/05/371585905.db2.gz FYDHVOBMVFDSOY-UHFFFAOYSA-N 2 2 236.319 0.636 20 0 BCADLP CCC[N@H+](C)CC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627366929 371585907 /nfs/dbraw/zinc/58/59/07/371585907.db2.gz FYDHVOBMVFDSOY-UHFFFAOYSA-N 2 2 236.319 0.636 20 0 BCADLP CCC[N@@H+](C)CC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627366929 371585910 /nfs/dbraw/zinc/58/59/10/371585910.db2.gz FYDHVOBMVFDSOY-UHFFFAOYSA-N 2 2 236.319 0.636 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2ccccn2)C1 ZINC000631825754 372603255 /nfs/dbraw/zinc/60/32/55/372603255.db2.gz SLSWXROPVQTFRE-ZDUSSCGKSA-N 2 2 248.330 0.691 20 0 BCADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccccn1 ZINC000631823046 372600534 /nfs/dbraw/zinc/60/05/34/372600534.db2.gz UZLANSZNCSLFQO-QWRGUYRKSA-N 2 2 248.330 0.689 20 0 BCADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccccn1 ZINC000631823046 372600538 /nfs/dbraw/zinc/60/05/38/372600538.db2.gz UZLANSZNCSLFQO-QWRGUYRKSA-N 2 2 248.330 0.689 20 0 BCADLP C[NH2+][C@@H]1CCC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631821208 372594932 /nfs/dbraw/zinc/59/49/32/372594932.db2.gz RLZTWSSCHFKDRB-GHMZBOCLSA-N 2 2 235.335 0.449 20 0 BCADLP C[NH2+][C@@H]1CCC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631821208 372594937 /nfs/dbraw/zinc/59/49/37/372594937.db2.gz RLZTWSSCHFKDRB-GHMZBOCLSA-N 2 2 235.335 0.449 20 0 BCADLP C[N@H+](CC(=O)Nc1ccccn1)C1CC[NH2+]CC1 ZINC000631821028 372595077 /nfs/dbraw/zinc/59/50/77/372595077.db2.gz MYFULSDIGKNHPW-UHFFFAOYSA-N 2 2 248.330 0.704 20 0 BCADLP C[N@@H+](CC(=O)Nc1ccccn1)C1CC[NH2+]CC1 ZINC000631821028 372595079 /nfs/dbraw/zinc/59/50/79/372595079.db2.gz MYFULSDIGKNHPW-UHFFFAOYSA-N 2 2 248.330 0.704 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)Nc2ccccn2)C1 ZINC000631825754 372603249 /nfs/dbraw/zinc/60/32/49/372603249.db2.gz SLSWXROPVQTFRE-ZDUSSCGKSA-N 2 2 248.330 0.691 20 0 BCADLP c1nc2n(n1)[C@H](C[N@@H+]1CC[C@@H]3[NH2+]CC[C@@H]3C1)CC2 ZINC000631826745 372606436 /nfs/dbraw/zinc/60/64/36/372606436.db2.gz WGRKIQATHJYKAF-WOPDTQHZSA-N 2 2 247.346 0.449 20 0 BCADLP c1nc2n(n1)[C@H](C[N@H+]1CC[C@@H]3[NH2+]CC[C@@H]3C1)CC2 ZINC000631826745 372606442 /nfs/dbraw/zinc/60/64/42/372606442.db2.gz WGRKIQATHJYKAF-WOPDTQHZSA-N 2 2 247.346 0.449 20 0 BCADLP [NH3+]CC12CC(C1)C[N@@H+]2C[C@@H]1CCCCO1 ZINC000631829482 372611736 /nfs/dbraw/zinc/61/17/36/372611736.db2.gz RFORWWDJFLXVAT-CXQJBGSLSA-N 2 2 210.321 0.979 20 0 BCADLP [NH3+]CC12CC(C1)C[N@H+]2C[C@@H]1CCCCO1 ZINC000631829482 372611740 /nfs/dbraw/zinc/61/17/40/372611740.db2.gz RFORWWDJFLXVAT-CXQJBGSLSA-N 2 2 210.321 0.979 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631835779 372622207 /nfs/dbraw/zinc/62/22/07/372622207.db2.gz XIBQPZIDGURFAG-WDEREUQCSA-N 2 2 227.352 0.666 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631835779 372622212 /nfs/dbraw/zinc/62/22/12/372622212.db2.gz XIBQPZIDGURFAG-WDEREUQCSA-N 2 2 227.352 0.666 20 0 BCADLP CCN1CC[C@H]([N@@H+]2CCCCC[C@@H]([NH3+])C2)C1=O ZINC000631835201 372623502 /nfs/dbraw/zinc/62/35/02/372623502.db2.gz OSWARHJUMZPKSU-NEPJUHHUSA-N 2 2 239.363 0.811 20 0 BCADLP CCN1CC[C@H]([N@H+]2CCCCC[C@@H]([NH3+])C2)C1=O ZINC000631835201 372623506 /nfs/dbraw/zinc/62/35/06/372623506.db2.gz OSWARHJUMZPKSU-NEPJUHHUSA-N 2 2 239.363 0.811 20 0 BCADLP C[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1C[NH3+] ZINC000631841756 372637936 /nfs/dbraw/zinc/63/79/36/372637936.db2.gz PGHZMSXDDCVPMR-RKDXNWHRSA-N 2 2 236.323 0.035 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1C[NH3+] ZINC000631841756 372637943 /nfs/dbraw/zinc/63/79/43/372637943.db2.gz PGHZMSXDDCVPMR-RKDXNWHRSA-N 2 2 236.323 0.035 20 0 BCADLP CCCCNC(=O)CC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631860545 372659627 /nfs/dbraw/zinc/65/96/27/372659627.db2.gz KVTHWBYQGPRUMA-MNOVXSKESA-N 2 2 227.352 0.714 20 0 BCADLP CCCCNC(=O)CC[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631860545 372659632 /nfs/dbraw/zinc/65/96/32/372659632.db2.gz KVTHWBYQGPRUMA-MNOVXSKESA-N 2 2 227.352 0.714 20 0 BCADLP CCCCNC(=O)CC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631860546 372659848 /nfs/dbraw/zinc/65/98/48/372659848.db2.gz KVTHWBYQGPRUMA-QWRGUYRKSA-N 2 2 227.352 0.714 20 0 BCADLP CCCCNC(=O)CC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631860546 372659854 /nfs/dbraw/zinc/65/98/54/372659854.db2.gz KVTHWBYQGPRUMA-QWRGUYRKSA-N 2 2 227.352 0.714 20 0 BCADLP CCNC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631889421 372684637 /nfs/dbraw/zinc/68/46/37/372684637.db2.gz JJWHWBKOCRAQJA-GHMZBOCLSA-N 2 2 225.336 0.196 20 0 BCADLP CCNC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631889421 372684646 /nfs/dbraw/zinc/68/46/46/372684646.db2.gz JJWHWBKOCRAQJA-GHMZBOCLSA-N 2 2 225.336 0.196 20 0 BCADLP Cn1c[nH+]cc1CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890397 372686372 /nfs/dbraw/zinc/68/63/72/372686372.db2.gz RKYMCIPDZYOTPW-DGCLKSJQSA-N 2 2 234.347 0.994 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000632927025 373224037 /nfs/dbraw/zinc/22/40/37/373224037.db2.gz ICWGTSGXGBNGKZ-ZJUUUORDSA-N 2 2 234.303 0.765 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000632927019 373224334 /nfs/dbraw/zinc/22/43/34/373224334.db2.gz ICWGTSGXGBNGKZ-NXEZZACHSA-N 2 2 234.303 0.765 20 0 BCADLP CCCCNC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000309475671 168845707 /nfs/dbraw/zinc/84/57/07/168845707.db2.gz RXRJOSLHJZUMDX-UHFFFAOYSA-N 2 2 213.325 0.374 20 0 BCADLP O=C(NCC1=CC[NH2+]CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000336478826 182136023 /nfs/dbraw/zinc/13/60/23/182136023.db2.gz MQBCQBWUXTZPAE-SECBINFHSA-N 2 2 245.273 0.020 20 0 BCADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1CCCC[NH2+]1 ZINC000020506386 182177781 /nfs/dbraw/zinc/17/77/81/182177781.db2.gz NVUMCQVSVMMAHY-NSHDSACASA-N 2 2 236.319 0.532 20 0 BCADLP O=C(NCCCn1cc[nH+]c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188687538 182178551 /nfs/dbraw/zinc/17/85/51/182178551.db2.gz FEPOEOSESMDJHC-VHSXEESVSA-N 2 2 240.282 0.089 20 0 BCADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364149548 182178754 /nfs/dbraw/zinc/17/87/54/182178754.db2.gz ZWMXZHXKCXXBGN-WCQYABFASA-N 2 2 248.330 0.389 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414925105 205786890 /nfs/dbraw/zinc/78/68/90/205786890.db2.gz JHHPLGLIROHMOZ-GRYCIOLGSA-N 3 2 211.353 0.716 20 0 BCADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC000125151872 182211920 /nfs/dbraw/zinc/21/19/20/182211920.db2.gz WWHIGOXDTKDFAJ-SECBINFHSA-N 2 2 222.292 0.068 20 0 BCADLP O=C(NC[C@H]1CCCn2cc[nH+]c21)C1C[NH2+]C1 ZINC000368165308 182242551 /nfs/dbraw/zinc/24/25/51/182242551.db2.gz FKUUHDCIZXJTNA-SECBINFHSA-N 2 2 234.303 0.096 20 0 BCADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1CCC[NH2+]1 ZINC000261735371 182264109 /nfs/dbraw/zinc/26/41/09/182264109.db2.gz ORMRRRHWJRLDLT-LLVKDONJSA-N 2 2 244.298 0.703 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250247400 182273975 /nfs/dbraw/zinc/27/39/75/182273975.db2.gz NBODEASZYVWBHB-AXFHLTTASA-N 2 2 248.330 0.947 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@H]1CCCc2[nH+]ccn21 ZINC000354201533 182274093 /nfs/dbraw/zinc/27/40/93/182274093.db2.gz AVVQFTGWOLNFND-SECBINFHSA-N 2 2 245.286 0.800 20 0 BCADLP O=C(NCc1cn2ccccc2[nH+]1)[C@H]1CCC[NH2+]1 ZINC000083909167 182268104 /nfs/dbraw/zinc/26/81/04/182268104.db2.gz DKHXVZVLOMKJNK-LLVKDONJSA-N 2 2 244.298 0.703 20 0 BCADLP O=C(NCc1cn2ccccc2[nH+]1)[C@H]1CC[NH2+]C1 ZINC000269228324 182268726 /nfs/dbraw/zinc/26/87/26/182268726.db2.gz GXDRNPACPTXYKB-JTQLQIEISA-N 2 2 244.298 0.560 20 0 BCADLP O=C(NCc1cn2c([nH+]1)CCCC2)[C@@H]1CCC[NH2+]1 ZINC000083935037 182269005 /nfs/dbraw/zinc/26/90/05/182269005.db2.gz GDHQSUQRMWSPND-NSHDSACASA-N 2 2 248.330 0.588 20 0 BCADLP O=C(NCc1c[nH+]c[nH]1)[C@H]1CCCc2[nH+]ccn21 ZINC000354454378 182270563 /nfs/dbraw/zinc/27/05/63/182270563.db2.gz NIBMGQRGBCKPEI-SNVBAGLBSA-N 2 2 245.286 0.800 20 0 BCADLP Cn1c[nH+]cc1CN1CCCC[C@@H]1C(=[NH2+])NO ZINC000372309525 206044167 /nfs/dbraw/zinc/04/41/67/206044167.db2.gz OLBQDSDPTBSGGJ-SNVBAGLBSA-N 2 2 237.307 0.731 20 0 BCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CSC[NH2+]1 ZINC000044726742 182301903 /nfs/dbraw/zinc/30/19/03/182301903.db2.gz PCVGNOBEAWLYDW-SCZZXKLOSA-N 2 2 241.360 0.002 20 0 BCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CSC[NH2+]1 ZINC000044726742 182301904 /nfs/dbraw/zinc/30/19/04/182301904.db2.gz PCVGNOBEAWLYDW-SCZZXKLOSA-N 2 2 241.360 0.002 20 0 BCADLP OCCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000305105721 183057689 /nfs/dbraw/zinc/05/76/89/183057689.db2.gz DSNIHDJRALCJFD-LBPRGKRZSA-N 2 2 222.288 0.917 20 0 BCADLP OCCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000305105721 183057690 /nfs/dbraw/zinc/05/76/90/183057690.db2.gz DSNIHDJRALCJFD-LBPRGKRZSA-N 2 2 222.288 0.917 20 0 BCADLP OC[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000049474438 183121797 /nfs/dbraw/zinc/12/17/97/183121797.db2.gz HJDXGKLRGKTJMK-LLVKDONJSA-N 2 2 209.293 0.587 20 0 BCADLP OC[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000049474438 183121800 /nfs/dbraw/zinc/12/18/00/183121800.db2.gz HJDXGKLRGKTJMK-LLVKDONJSA-N 2 2 209.293 0.587 20 0 BCADLP OC[C@H]1CCCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000372886546 183146769 /nfs/dbraw/zinc/14/67/69/183146769.db2.gz XXAABOIQUUCXHD-LBPRGKRZSA-N 2 2 223.320 0.978 20 0 BCADLP OC[C@H]1CCCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000372886546 183146771 /nfs/dbraw/zinc/14/67/71/183146771.db2.gz XXAABOIQUUCXHD-LBPRGKRZSA-N 2 2 223.320 0.978 20 0 BCADLP OC[C@H]1CC(F)(F)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000372498530 183147301 /nfs/dbraw/zinc/14/73/01/183147301.db2.gz XOGLNYUDSRWHCK-SNVBAGLBSA-N 2 2 245.273 0.975 20 0 BCADLP OC[C@H]1CC(F)(F)C[N@H+]1CCCn1cc[nH+]c1 ZINC000372498530 183147305 /nfs/dbraw/zinc/14/73/05/183147305.db2.gz XOGLNYUDSRWHCK-SNVBAGLBSA-N 2 2 245.273 0.975 20 0 BCADLP OC[C@H]1C[C@H](O)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000370398463 183157036 /nfs/dbraw/zinc/15/70/36/183157036.db2.gz QCRDCDNXVASKPZ-NEPJUHHUSA-N 2 2 247.298 0.262 20 0 BCADLP OC[C@H]1C[C@H](O)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000370398463 183157038 /nfs/dbraw/zinc/15/70/38/183157038.db2.gz QCRDCDNXVASKPZ-NEPJUHHUSA-N 2 2 247.298 0.262 20 0 BCADLP CCC[N@H+](C)CC(=O)NCCn1cc[nH+]c1 ZINC000359336960 169071436 /nfs/dbraw/zinc/07/14/36/169071436.db2.gz GPDSOMAIAREFRV-UHFFFAOYSA-N 2 2 224.308 0.341 20 0 BCADLP CCC[N@@H+](C)CC(=O)NCCn1cc[nH+]c1 ZINC000359336960 169071439 /nfs/dbraw/zinc/07/14/39/169071439.db2.gz GPDSOMAIAREFRV-UHFFFAOYSA-N 2 2 224.308 0.341 20 0 BCADLP O[C@H](C[NH2+]Cc1ccccn1)C[NH+]1CCCC1 ZINC000037859688 183224102 /nfs/dbraw/zinc/22/41/02/183224102.db2.gz QNIYTDHTPROACV-CYBMUJFWSA-N 2 2 235.331 0.628 20 0 BCADLP O[C@@H]1COC[C@@H]1[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000340286070 183208877 /nfs/dbraw/zinc/20/88/77/183208877.db2.gz LINOSMQGZGISAJ-QWHCGFSZSA-N 2 2 240.347 0.306 20 0 BCADLP CCC[N@H+](CCn1cc[nH+]c1)CC(=O)N(C)C ZINC000131234830 169171838 /nfs/dbraw/zinc/17/18/38/169171838.db2.gz LBHFGTIBLOYEPT-UHFFFAOYSA-N 2 2 238.335 0.683 20 0 BCADLP CCC[N@@H+](CCn1cc[nH+]c1)CC(=O)N(C)C ZINC000131234830 169171840 /nfs/dbraw/zinc/17/18/40/169171840.db2.gz LBHFGTIBLOYEPT-UHFFFAOYSA-N 2 2 238.335 0.683 20 0 BCADLP CCCN(Cc1[nH+]ccn1C)[C@@H]1CC[NH2+]C1 ZINC000070902567 169180404 /nfs/dbraw/zinc/18/04/04/169180404.db2.gz APSPVDXEVITLNJ-LLVKDONJSA-N 2 2 222.336 0.994 20 0 BCADLP CCC[NH+]1CCC([NH2+]C[C@@H](O)C[NH+](C)C)CC1 ZINC000049555209 169188809 /nfs/dbraw/zinc/18/88/09/169188809.db2.gz CRMQBDFHUYDWBU-CYBMUJFWSA-N 3 2 243.395 0.373 20 0 BCADLP c1c[nH+]c(C2CC[NH+](Cc3cnn[nH]3)CC2)[nH]1 ZINC000284072513 183322663 /nfs/dbraw/zinc/32/26/63/183322663.db2.gz QZYZOMDXQVZTFV-UHFFFAOYSA-N 2 2 232.291 0.907 20 0 BCADLP c1c[nH+]c(C2CC[NH+](Cc3c[nH]nn3)CC2)[nH]1 ZINC000284072513 183322665 /nfs/dbraw/zinc/32/26/65/183322665.db2.gz QZYZOMDXQVZTFV-UHFFFAOYSA-N 2 2 232.291 0.907 20 0 BCADLP c1c[nH+]c(CN2CC[NH+](C3CC3)CC2)[nH]1 ZINC000111207768 183324725 /nfs/dbraw/zinc/32/47/25/183324725.db2.gz KYDLXPFWGHJDBH-UHFFFAOYSA-N 2 2 206.293 0.690 20 0 BCADLP c1c[nH+]c([C@H]2CCC[N@@H+](CC3OCCO3)C2)[nH]1 ZINC000272038372 183327039 /nfs/dbraw/zinc/32/70/39/183327039.db2.gz FMKUSJDXJVIVSG-JTQLQIEISA-N 2 2 237.303 0.962 20 0 BCADLP c1c[nH+]c([C@H]2CCC[N@H+](CC3OCCO3)C2)[nH]1 ZINC000272038372 183327043 /nfs/dbraw/zinc/32/70/43/183327043.db2.gz FMKUSJDXJVIVSG-JTQLQIEISA-N 2 2 237.303 0.962 20 0 BCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000331288873 169194187 /nfs/dbraw/zinc/19/41/87/169194187.db2.gz NTHIWMBRCZUPCR-LLVKDONJSA-N 2 2 236.319 0.900 20 0 BCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000331288873 169194188 /nfs/dbraw/zinc/19/41/88/169194188.db2.gz NTHIWMBRCZUPCR-LLVKDONJSA-N 2 2 236.319 0.900 20 0 BCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000114339034 169195687 /nfs/dbraw/zinc/19/56/87/169195687.db2.gz MMXBHUXSDHKGMV-SNVBAGLBSA-N 2 2 236.319 0.900 20 0 BCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000114339034 169195689 /nfs/dbraw/zinc/19/56/89/169195689.db2.gz MMXBHUXSDHKGMV-SNVBAGLBSA-N 2 2 236.319 0.900 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227071554 169222929 /nfs/dbraw/zinc/22/29/29/169222929.db2.gz VKUABSKEZAGRPK-VHSXEESVSA-N 2 2 213.325 0.182 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227071554 169222930 /nfs/dbraw/zinc/22/29/30/169222930.db2.gz VKUABSKEZAGRPK-VHSXEESVSA-N 2 2 213.325 0.182 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000070799656 169223049 /nfs/dbraw/zinc/22/30/49/169223049.db2.gz RFNYIGNBGFTELS-JTQLQIEISA-N 2 2 213.325 0.054 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000070799656 169223050 /nfs/dbraw/zinc/22/30/50/169223050.db2.gz RFNYIGNBGFTELS-JTQLQIEISA-N 2 2 213.325 0.054 20 0 BCADLP c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)on1 ZINC000335565375 183346342 /nfs/dbraw/zinc/34/63/42/183346342.db2.gz JQNUZDAVBRXTNP-UWVGGRQHSA-N 2 2 207.277 0.716 20 0 BCADLP c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)on1 ZINC000335565375 183346343 /nfs/dbraw/zinc/34/63/43/183346343.db2.gz JQNUZDAVBRXTNP-UWVGGRQHSA-N 2 2 207.277 0.716 20 0 BCADLP CCCS(=O)(=O)CC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000226419737 169329521 /nfs/dbraw/zinc/32/95/21/169329521.db2.gz BFYDNJWNZMFWFO-SNVBAGLBSA-N 2 2 234.365 0.092 20 0 BCADLP CCCS(=O)(=O)CC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000226419737 169329522 /nfs/dbraw/zinc/32/95/22/169329522.db2.gz BFYDNJWNZMFWFO-SNVBAGLBSA-N 2 2 234.365 0.092 20 0 BCADLP CCC[C@@H]([NH3+])C(=O)N(C)Cc1[nH+]ccn1C ZINC000037823016 169387196 /nfs/dbraw/zinc/38/71/96/169387196.db2.gz NULNQDVBRDLWOD-SECBINFHSA-N 2 2 224.308 0.506 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000224562396 134348508 /nfs/dbraw/zinc/34/85/08/134348508.db2.gz DGZANKDIPSFKLX-NGZCFLSTSA-N 2 2 225.336 0.323 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000224562396 134348509 /nfs/dbraw/zinc/34/85/09/134348509.db2.gz DGZANKDIPSFKLX-NGZCFLSTSA-N 2 2 225.336 0.323 20 0 BCADLP CO[C@H](C[NH2+]C[C@@H]1C[N@H+](C)CCN1C)C1CC1 ZINC000400179085 383826397 /nfs/dbraw/zinc/82/63/97/383826397.db2.gz QPGNISLIZZNAGB-CHWSQXEVSA-N 2 2 241.379 0.247 20 0 BCADLP CO[C@H](C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC000400179085 383826404 /nfs/dbraw/zinc/82/64/04/383826404.db2.gz QPGNISLIZZNAGB-CHWSQXEVSA-N 2 2 241.379 0.247 20 0 BCADLP C[NH2+][C@H]1CCC[N@H+](CCOCCOC)C1 ZINC000070028340 383855314 /nfs/dbraw/zinc/85/53/14/383855314.db2.gz FFNOJGULNWJABK-NSHDSACASA-N 2 2 216.325 0.333 20 0 BCADLP C[NH2+][C@H]1CCC[N@@H+](CCOCCOC)C1 ZINC000070028340 383855318 /nfs/dbraw/zinc/85/53/18/383855318.db2.gz FFNOJGULNWJABK-NSHDSACASA-N 2 2 216.325 0.333 20 0 BCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000642899120 383915086 /nfs/dbraw/zinc/91/50/86/383915086.db2.gz SXSFXTIKUGRZBS-GFCCVEGCSA-N 2 2 248.330 0.710 20 0 BCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000642899120 383915095 /nfs/dbraw/zinc/91/50/95/383915095.db2.gz SXSFXTIKUGRZBS-GFCCVEGCSA-N 2 2 248.330 0.710 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccncc1 ZINC000068802970 384016437 /nfs/dbraw/zinc/01/64/37/384016437.db2.gz ZRAMSRIDROFBPE-GXTWGEPZSA-N 2 2 248.374 0.978 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccncc1 ZINC000068802970 384016444 /nfs/dbraw/zinc/01/64/44/384016444.db2.gz ZRAMSRIDROFBPE-GXTWGEPZSA-N 2 2 248.374 0.978 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000518565760 384015656 /nfs/dbraw/zinc/01/56/56/384015656.db2.gz LKYRUSRGHCMGDA-RYUDHWBXSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)[C@@H]1CCCO1 ZINC000310105558 384048941 /nfs/dbraw/zinc/04/89/41/384048941.db2.gz PBGYUPPSTDDTIG-AVGNSLFASA-N 2 2 241.379 0.389 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)[C@@H]1CCCO1 ZINC000310105558 384048947 /nfs/dbraw/zinc/04/89/47/384048947.db2.gz PBGYUPPSTDDTIG-AVGNSLFASA-N 2 2 241.379 0.389 20 0 BCADLP C[C@@H]([NH3+])CCC(=O)NCCCn1cc[nH+]c1 ZINC000069839032 384065403 /nfs/dbraw/zinc/06/54/03/384065403.db2.gz QAOPWIWZANTWGF-SNVBAGLBSA-N 2 2 224.308 0.517 20 0 BCADLP CC[C@@H](COC)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449388434 384147791 /nfs/dbraw/zinc/14/77/91/384147791.db2.gz PDHOUCHNZGAJPH-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP CC[C@@H](COC)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449388434 384147796 /nfs/dbraw/zinc/14/77/96/384147796.db2.gz PDHOUCHNZGAJPH-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP COCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449391249 384155451 /nfs/dbraw/zinc/15/54/51/384155451.db2.gz XSPOOWMDTCZVOV-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP COCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449391249 384155456 /nfs/dbraw/zinc/15/54/56/384155456.db2.gz XSPOOWMDTCZVOV-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)C1([NH3+])CCCCC1 ZINC000071276119 384158505 /nfs/dbraw/zinc/15/85/05/384158505.db2.gz MTVUHOVTWBBSTC-UHFFFAOYSA-N 2 2 236.319 0.698 20 0 BCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C1C[NH2+]C1)CCC2 ZINC000363667055 384162099 /nfs/dbraw/zinc/16/20/99/384162099.db2.gz WCNRGEKAIKRVHV-SNVBAGLBSA-N 2 2 248.330 0.405 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000163232695 384184153 /nfs/dbraw/zinc/18/41/53/384184153.db2.gz TYRFRKZFKVYPGB-BDAKNGLRSA-N 2 2 236.323 0.177 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000163232695 384184158 /nfs/dbraw/zinc/18/41/58/384184158.db2.gz TYRFRKZFKVYPGB-BDAKNGLRSA-N 2 2 236.323 0.177 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@@H]1CSC[NH2+]1 ZINC000082523263 384234704 /nfs/dbraw/zinc/23/47/04/384234704.db2.gz ZRTZRRFPRCMXJY-VIFPVBQESA-N 2 2 223.301 0.991 20 0 BCADLP CC(C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000158259570 384216488 /nfs/dbraw/zinc/21/64/88/384216488.db2.gz YENGLMRLDIUAOG-GRYCIOLGSA-N 2 2 241.379 0.972 20 0 BCADLP CC(C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158259570 384216496 /nfs/dbraw/zinc/21/64/96/384216496.db2.gz YENGLMRLDIUAOG-GRYCIOLGSA-N 2 2 241.379 0.972 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cnc2cnccn12 ZINC000333122940 384226452 /nfs/dbraw/zinc/22/64/52/384226452.db2.gz IOJYLDBAAFLLFT-JQWIXIFHSA-N 2 2 245.330 0.959 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)CCCC[NH+](C)C ZINC000560601938 384249690 /nfs/dbraw/zinc/24/96/90/384249690.db2.gz OGFDEPVTFGYTPX-UHFFFAOYSA-N 2 2 238.335 0.768 20 0 BCADLP CC[C@H](CO)[NH+]1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000093740004 384264859 /nfs/dbraw/zinc/26/48/59/384264859.db2.gz KOUHIMOHLVBJNK-GFCCVEGCSA-N 2 2 238.335 0.298 20 0 BCADLP C[NH+](C)[C@H](CNC(N)=[NH2+])c1ccccc1 ZINC000073756955 384264729 /nfs/dbraw/zinc/26/47/29/384264729.db2.gz NRLRAELQADKKDU-SNVBAGLBSA-N 2 2 206.293 0.772 20 0 BCADLP CC[C@H](CO)[NH+]1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000093740004 384264869 /nfs/dbraw/zinc/26/48/69/384264869.db2.gz KOUHIMOHLVBJNK-GFCCVEGCSA-N 2 2 238.335 0.298 20 0 BCADLP c1cn(CC[N@@H+]2CCOC[C@@H]2C2CC2)c[nH+]1 ZINC000133750399 384310535 /nfs/dbraw/zinc/31/05/35/384310535.db2.gz OIXRQIZTCQHAKD-GFCCVEGCSA-N 2 2 221.304 0.994 20 0 BCADLP c1cn(CC[N@H+]2CCOC[C@@H]2C2CC2)c[nH+]1 ZINC000133750399 384310541 /nfs/dbraw/zinc/31/05/41/384310541.db2.gz OIXRQIZTCQHAKD-GFCCVEGCSA-N 2 2 221.304 0.994 20 0 BCADLP COCC(C)(C)C[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647507512 384310515 /nfs/dbraw/zinc/31/05/15/384310515.db2.gz RFFQLRXIEDJQFH-GHMZBOCLSA-N 2 2 230.352 0.707 20 0 BCADLP COCC(C)(C)C[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647507512 384310523 /nfs/dbraw/zinc/31/05/23/384310523.db2.gz RFFQLRXIEDJQFH-GHMZBOCLSA-N 2 2 230.352 0.707 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCc2cn(C)c[nH+]2)CO1 ZINC000401915321 384280331 /nfs/dbraw/zinc/28/03/31/384280331.db2.gz WHVPTKTUVUOEJW-GXSJLCMTSA-N 2 2 209.293 0.730 20 0 BCADLP COC[C@H]([NH2+][C@H]1CCC[NH2+]C1)C(C)C ZINC000083397992 384295975 /nfs/dbraw/zinc/29/59/75/384295975.db2.gz CXKSPUVQIQEAPO-QWRGUYRKSA-N 2 2 200.326 0.999 20 0 BCADLP C[NH+]1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000074726813 384302584 /nfs/dbraw/zinc/30/25/84/384302584.db2.gz FMLQIXBYCKMBFQ-UHFFFAOYSA-N 2 2 222.292 0.116 20 0 BCADLP C[NH+]1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000074726813 384302590 /nfs/dbraw/zinc/30/25/90/384302590.db2.gz FMLQIXBYCKMBFQ-UHFFFAOYSA-N 2 2 222.292 0.116 20 0 BCADLP C[N@H+](CCC(F)(F)F)C[C@H](O)C[NH3+] ZINC000083878993 384337830 /nfs/dbraw/zinc/33/78/30/384337830.db2.gz DOQHAUUVECRIQP-ZCFIWIBFSA-N 2 2 200.204 0.190 20 0 BCADLP C[N@@H+](CCC(F)(F)F)C[C@H](O)C[NH3+] ZINC000083878993 384337833 /nfs/dbraw/zinc/33/78/33/384337833.db2.gz DOQHAUUVECRIQP-ZCFIWIBFSA-N 2 2 200.204 0.190 20 0 BCADLP CO[C@@H]1C[C@@H](CO)[N@H+](Cc2c[nH+]cn2C)C1 ZINC000332735515 384347887 /nfs/dbraw/zinc/34/78/87/384347887.db2.gz VWPRHCYTDHKEJY-GXSJLCMTSA-N 2 2 225.292 0.002 20 0 BCADLP CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2c[nH+]cn2C)C1 ZINC000332735515 384347892 /nfs/dbraw/zinc/34/78/92/384347892.db2.gz VWPRHCYTDHKEJY-GXSJLCMTSA-N 2 2 225.292 0.002 20 0 BCADLP [NH3+]Cc1cc(C(=O)N2CC[NH+](C3CC3)CC2)co1 ZINC000188057969 384358118 /nfs/dbraw/zinc/35/81/18/384358118.db2.gz LTPJUFQVTQYSEO-UHFFFAOYSA-N 2 2 249.314 0.659 20 0 BCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1c[nH+]c[nH]1 ZINC000084081103 384362099 /nfs/dbraw/zinc/36/20/99/384362099.db2.gz BXQBVKPIDFVAFV-CBAPKCEASA-N 2 2 210.281 0.399 20 0 BCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1c[nH]c[nH+]1 ZINC000084081103 384362106 /nfs/dbraw/zinc/36/21/06/384362106.db2.gz BXQBVKPIDFVAFV-CBAPKCEASA-N 2 2 210.281 0.399 20 0 BCADLP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)nn1C ZINC000647508345 384327462 /nfs/dbraw/zinc/32/74/62/384327462.db2.gz LESAPGVXITUTLZ-QWRGUYRKSA-N 2 2 222.336 0.898 20 0 BCADLP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)nn1C ZINC000647508345 384327466 /nfs/dbraw/zinc/32/74/66/384327466.db2.gz LESAPGVXITUTLZ-QWRGUYRKSA-N 2 2 222.336 0.898 20 0 BCADLP C[C@H]1C[C@H](NC(=O)N[C@H]2CC[NH2+]C2)c2[nH+]ccn21 ZINC000584243345 384327537 /nfs/dbraw/zinc/32/75/37/384327537.db2.gz XOFFKFCZSAMEGB-GUBZILKMSA-N 2 2 249.318 0.550 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000308830120 384328543 /nfs/dbraw/zinc/32/85/43/384328543.db2.gz FXAJBAFMQJQIDP-IUCAKERBSA-N 2 2 210.281 0.125 20 0 BCADLP C[C@]1(C[N@@H+]2CCC[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000335603758 384376603 /nfs/dbraw/zinc/37/66/03/384376603.db2.gz USIVHMHXAXOQEG-RYUDHWBXSA-N 3 2 211.353 0.657 20 0 BCADLP C[C@]1(C[N@H+]2CCC[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000335603758 384376605 /nfs/dbraw/zinc/37/66/05/384376605.db2.gz USIVHMHXAXOQEG-RYUDHWBXSA-N 3 2 211.353 0.657 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@@]2(O)CCSC2)n1C ZINC000521371286 384428198 /nfs/dbraw/zinc/42/81/98/384428198.db2.gz BDPKOMJWEABXAC-NSHDSACASA-N 2 2 241.360 0.686 20 0 BCADLP CC1(C)C[N@H+](CCn2cc[nH+]c2)CCO1 ZINC000146749730 384435714 /nfs/dbraw/zinc/43/57/14/384435714.db2.gz GBNQRWOHCIEMLQ-UHFFFAOYSA-N 2 2 209.293 0.994 20 0 BCADLP CC1(C)C[N@@H+](CCn2cc[nH+]c2)CCO1 ZINC000146749730 384435717 /nfs/dbraw/zinc/43/57/17/384435717.db2.gz GBNQRWOHCIEMLQ-UHFFFAOYSA-N 2 2 209.293 0.994 20 0 BCADLP CC[C@H]([NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000036871551 384462475 /nfs/dbraw/zinc/46/24/75/384462475.db2.gz VMVMEKMORAWEMF-VIFPVBQESA-N 2 2 210.281 0.127 20 0 BCADLP [NH3+]C[C@@H]1CN(Cc2c[nH+]c3ccccn23)CCO1 ZINC000647518798 384507241 /nfs/dbraw/zinc/50/72/41/384507241.db2.gz JJJXLMWHKSFLRJ-GFCCVEGCSA-N 2 2 246.314 0.494 20 0 BCADLP C[C@H]1CN(Cc2c[nH+]cn2C)[C@@H](C)C[NH2+]1 ZINC000085170917 384509650 /nfs/dbraw/zinc/50/96/50/384509650.db2.gz OKUDEZOGTGJWIE-UWVGGRQHSA-N 2 2 208.309 0.602 20 0 BCADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)C(=O)N(C)C ZINC000037249572 384489242 /nfs/dbraw/zinc/48/92/42/384489242.db2.gz FXCFNHBPSWDFLT-SECBINFHSA-N 2 2 213.325 0.147 20 0 BCADLP CC[C@@H](C)[N@H+](C)CCNc1nc(C)[nH+]c(N)n1 ZINC000302643077 384490318 /nfs/dbraw/zinc/49/03/18/384490318.db2.gz UEJZHRDOVZXJGM-MRVPVSSYSA-N 2 2 238.339 0.904 20 0 BCADLP CC[C@@H](C)[N@@H+](C)CCNc1nc(C)[nH+]c(N)n1 ZINC000302643077 384490325 /nfs/dbraw/zinc/49/03/25/384490325.db2.gz UEJZHRDOVZXJGM-MRVPVSSYSA-N 2 2 238.339 0.904 20 0 BCADLP Cc1nc(N2CC[NH+](C(C)C)CC2)nc(N)[nH+]1 ZINC000302640466 384493196 /nfs/dbraw/zinc/49/31/96/384493196.db2.gz STZVAYNHYXLURG-UHFFFAOYSA-N 2 2 236.323 0.293 20 0 BCADLP COC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397343503 384534332 /nfs/dbraw/zinc/53/43/32/384534332.db2.gz WVVZAQYKXPNVKZ-GUBZILKMSA-N 2 2 214.309 0.465 20 0 BCADLP COC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397343503 384534336 /nfs/dbraw/zinc/53/43/36/384534336.db2.gz WVVZAQYKXPNVKZ-GUBZILKMSA-N 2 2 214.309 0.465 20 0 BCADLP Cc1csc(=O)n1CC[NH+]1CCC([NH3+])CC1 ZINC000334551697 384568713 /nfs/dbraw/zinc/56/87/13/384568713.db2.gz RTAHVLJAAAORNP-UHFFFAOYSA-N 2 2 241.360 0.641 20 0 BCADLP Cc1cnn(CC[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000643065592 384575073 /nfs/dbraw/zinc/57/50/73/384575073.db2.gz CXLOMNSJKODBMO-STQMWFEESA-N 2 2 234.347 0.875 20 0 BCADLP Cc1cnn(CC[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000643065592 384575081 /nfs/dbraw/zinc/57/50/81/384575081.db2.gz CXLOMNSJKODBMO-STQMWFEESA-N 2 2 234.347 0.875 20 0 BCADLP COC(C[N@H+](C)CCCn1cc[nH+]c1)OC ZINC000162136845 384576148 /nfs/dbraw/zinc/57/61/48/384576148.db2.gz SENASTQQOVCEPK-UHFFFAOYSA-N 2 2 227.308 0.824 20 0 BCADLP COC(C[N@@H+](C)CCCn1cc[nH+]c1)OC ZINC000162136845 384576158 /nfs/dbraw/zinc/57/61/58/384576158.db2.gz SENASTQQOVCEPK-UHFFFAOYSA-N 2 2 227.308 0.824 20 0 BCADLP FC(F)COCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643066239 384581136 /nfs/dbraw/zinc/58/11/36/384581136.db2.gz LURVDMWUALVRGY-VHSXEESVSA-N 2 2 234.290 0.952 20 0 BCADLP FC(F)COCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643066239 384581138 /nfs/dbraw/zinc/58/11/38/384581138.db2.gz LURVDMWUALVRGY-VHSXEESVSA-N 2 2 234.290 0.952 20 0 BCADLP COCC[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336655919 384653828 /nfs/dbraw/zinc/65/38/28/384653828.db2.gz NZTXYMXNSKAKMS-VWYCJHECSA-N 2 2 200.326 0.951 20 0 BCADLP COCC[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336655919 384653834 /nfs/dbraw/zinc/65/38/34/384653834.db2.gz NZTXYMXNSKAKMS-VWYCJHECSA-N 2 2 200.326 0.951 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866430 384710695 /nfs/dbraw/zinc/71/06/95/384710695.db2.gz FZGOVAJNCUHDAW-NXEZZACHSA-N 2 2 236.319 0.473 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866430 384710702 /nfs/dbraw/zinc/71/07/02/384710702.db2.gz FZGOVAJNCUHDAW-NXEZZACHSA-N 2 2 236.319 0.473 20 0 BCADLP CCCNC(=O)C[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000315894241 384717747 /nfs/dbraw/zinc/71/77/47/384717747.db2.gz ABWSUNNLHTWHPB-UTUOFQBUSA-N 2 2 241.379 0.960 20 0 BCADLP CCCNC(=O)C[N@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000315894241 384717757 /nfs/dbraw/zinc/71/77/57/384717757.db2.gz ABWSUNNLHTWHPB-UTUOFQBUSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000647547413 384737328 /nfs/dbraw/zinc/73/73/28/384737328.db2.gz VOPCNIACCURKTO-AVGNSLFASA-N 3 2 225.380 0.964 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]CC[C@H]1CCOC1 ZINC000309951757 384737456 /nfs/dbraw/zinc/73/74/56/384737456.db2.gz GIIMMQUNIALLGY-LBPRGKRZSA-N 2 2 230.352 0.317 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]CC[C@H]1CCOC1 ZINC000309951757 384737462 /nfs/dbraw/zinc/73/74/62/384737462.db2.gz GIIMMQUNIALLGY-LBPRGKRZSA-N 2 2 230.352 0.317 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000647547184 384737709 /nfs/dbraw/zinc/73/77/09/384737709.db2.gz QEHKQZYMGZCYFP-QJPTWQEYSA-N 3 2 211.353 0.716 20 0 BCADLP [NH3+]CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(F)F ZINC000647547440 384741197 /nfs/dbraw/zinc/74/11/97/384741197.db2.gz WUJKWDMASNELDX-MMWGEVLESA-N 3 2 247.333 0.947 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]C[C@@H]1CCCOC1 ZINC000309966056 384744961 /nfs/dbraw/zinc/74/49/61/384744961.db2.gz NNYXFTLKJHUWJV-LBPRGKRZSA-N 2 2 230.352 0.317 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]C[C@@H]1CCCOC1 ZINC000309966056 384744971 /nfs/dbraw/zinc/74/49/71/384744971.db2.gz NNYXFTLKJHUWJV-LBPRGKRZSA-N 2 2 230.352 0.317 20 0 BCADLP C[N@@H+]1CC[C@@H](CC(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000259032076 384749326 /nfs/dbraw/zinc/74/93/26/384749326.db2.gz KFCBOIYOYSJPMG-VIFPVBQESA-N 2 2 234.303 0.944 20 0 BCADLP C[N@H+]1CC[C@@H](CC(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000259032076 384749333 /nfs/dbraw/zinc/74/93/33/384749333.db2.gz KFCBOIYOYSJPMG-VIFPVBQESA-N 2 2 234.303 0.944 20 0 BCADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647548189 384749927 /nfs/dbraw/zinc/74/99/27/384749927.db2.gz YLYCUSIWFBNNIU-NWBUJAPZSA-N 3 2 241.354 0.664 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000126952131 384824188 /nfs/dbraw/zinc/82/41/88/384824188.db2.gz XJDJBUXBMDRNEB-HRDYMLBCSA-N 2 2 200.282 0.217 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000126952131 384824198 /nfs/dbraw/zinc/82/41/98/384824198.db2.gz XJDJBUXBMDRNEB-HRDYMLBCSA-N 2 2 200.282 0.217 20 0 BCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nccn1C ZINC000126937427 384825712 /nfs/dbraw/zinc/82/57/12/384825712.db2.gz CTZAXYASLUJQIO-NXEZZACHSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nccn1C ZINC000126937427 384825714 /nfs/dbraw/zinc/82/57/14/384825714.db2.gz CTZAXYASLUJQIO-NXEZZACHSA-N 2 2 208.309 0.589 20 0 BCADLP CC(C)[C@H](O)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000308530660 384783881 /nfs/dbraw/zinc/78/38/81/384783881.db2.gz RSMGKHSLOBWJIC-GARJFASQSA-N 2 2 200.326 0.543 20 0 BCADLP CC(C)[C@H](O)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000308530660 384783884 /nfs/dbraw/zinc/78/38/84/384783884.db2.gz RSMGKHSLOBWJIC-GARJFASQSA-N 2 2 200.326 0.543 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC000222006883 384836279 /nfs/dbraw/zinc/83/62/79/384836279.db2.gz CLMOQOKUPDTURS-HBNTYKKESA-N 2 2 227.352 0.535 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC000222006883 384836283 /nfs/dbraw/zinc/83/62/83/384836283.db2.gz CLMOQOKUPDTURS-HBNTYKKESA-N 2 2 227.352 0.535 20 0 BCADLP Cn1cc(C[N@H+](C)[C@@H](C[NH3+])C2CC2)cn1 ZINC000042488740 384807841 /nfs/dbraw/zinc/80/78/41/384807841.db2.gz QVJPSGNMTCIRIN-NSHDSACASA-N 2 2 208.309 0.589 20 0 BCADLP Cn1cc(C[N@@H+](C)[C@@H](C[NH3+])C2CC2)cn1 ZINC000042488740 384807844 /nfs/dbraw/zinc/80/78/44/384807844.db2.gz QVJPSGNMTCIRIN-NSHDSACASA-N 2 2 208.309 0.589 20 0 BCADLP C[C@@H](C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000647392465 384880948 /nfs/dbraw/zinc/88/09/48/384880948.db2.gz DIGMPWOVAYVXAE-AXFHLTTASA-N 2 2 227.352 0.488 20 0 BCADLP C[C@@H](C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000647392465 384880950 /nfs/dbraw/zinc/88/09/50/384880950.db2.gz DIGMPWOVAYVXAE-AXFHLTTASA-N 2 2 227.352 0.488 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)[C@H]1CCCO1 ZINC000310105561 384843827 /nfs/dbraw/zinc/84/38/27/384843827.db2.gz PBGYUPPSTDDTIG-RWMBFGLXSA-N 2 2 241.379 0.389 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)[C@H]1CCCO1 ZINC000310105561 384843834 /nfs/dbraw/zinc/84/38/34/384843834.db2.gz PBGYUPPSTDDTIG-RWMBFGLXSA-N 2 2 241.379 0.389 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H](CO)C1)C1CC1 ZINC000310135325 384849371 /nfs/dbraw/zinc/84/93/71/384849371.db2.gz ZDXBHLBLMRYKGX-DGCLKSJQSA-N 2 2 242.363 0.146 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H](CO)C1)C1CC1 ZINC000310135325 384849378 /nfs/dbraw/zinc/84/93/78/384849378.db2.gz ZDXBHLBLMRYKGX-DGCLKSJQSA-N 2 2 242.363 0.146 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H](CO)C1)C1CC1 ZINC000310135325 384849387 /nfs/dbraw/zinc/84/93/87/384849387.db2.gz ZDXBHLBLMRYKGX-DGCLKSJQSA-N 2 2 242.363 0.146 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H](CO)C1)C1CC1 ZINC000310135325 384849394 /nfs/dbraw/zinc/84/93/94/384849394.db2.gz ZDXBHLBLMRYKGX-DGCLKSJQSA-N 2 2 242.363 0.146 20 0 BCADLP Cn1cc[nH+]c1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000336251040 384860211 /nfs/dbraw/zinc/86/02/11/384860211.db2.gz LYPHBUQGPTWBRG-ZDUSSCGKSA-N 2 2 234.347 0.996 20 0 BCADLP CC(C)OC[C@@H](O)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000644547940 384950795 /nfs/dbraw/zinc/95/07/95/384950795.db2.gz HFNCFGYOTVIAOQ-RYUDHWBXSA-N 2 2 230.352 0.456 20 0 BCADLP CC(C)OC[C@@H](O)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000644547940 384950803 /nfs/dbraw/zinc/95/08/03/384950803.db2.gz HFNCFGYOTVIAOQ-RYUDHWBXSA-N 2 2 230.352 0.456 20 0 BCADLP CC(C)OCC[C@H](O)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000644547782 384951793 /nfs/dbraw/zinc/95/17/93/384951793.db2.gz SRBXTLWHUXNEKY-OLZOCXBDSA-N 2 2 244.379 0.846 20 0 BCADLP CC(C)OCC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000644547782 384951796 /nfs/dbraw/zinc/95/17/96/384951796.db2.gz SRBXTLWHUXNEKY-OLZOCXBDSA-N 2 2 244.379 0.846 20 0 BCADLP CC[C@H](O)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000644557037 384956900 /nfs/dbraw/zinc/95/69/00/384956900.db2.gz WTWGDNJDHODINS-NEPJUHHUSA-N 2 2 212.337 0.831 20 0 BCADLP CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000644557037 384956903 /nfs/dbraw/zinc/95/69/03/384956903.db2.gz WTWGDNJDHODINS-NEPJUHHUSA-N 2 2 212.337 0.831 20 0 BCADLP COC(=O)N1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000497229031 384899584 /nfs/dbraw/zinc/89/95/84/384899584.db2.gz UATAXIOWLJMVPR-LBPRGKRZSA-N 2 2 241.335 0.370 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407319837 384901320 /nfs/dbraw/zinc/90/13/20/384901320.db2.gz VRZGOCCBIRCROR-GHMZBOCLSA-N 2 2 248.330 0.899 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H]1CO[C@H](C)C1 ZINC000647202648 384904867 /nfs/dbraw/zinc/90/48/67/384904867.db2.gz JLGJXBQSOWYYJN-GHMZBOCLSA-N 2 2 216.325 0.068 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CO[C@H](C)C1 ZINC000647202648 384904875 /nfs/dbraw/zinc/90/48/75/384904875.db2.gz JLGJXBQSOWYYJN-GHMZBOCLSA-N 2 2 216.325 0.068 20 0 BCADLP C[NH+](C)[C@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)CC1 ZINC000336292190 384965307 /nfs/dbraw/zinc/96/53/07/384965307.db2.gz IYXSYFSGHKIICK-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP C[NH+](C)[C@H]1CCC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC000336292190 384965311 /nfs/dbraw/zinc/96/53/11/384965311.db2.gz IYXSYFSGHKIICK-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP CCOC[C@@H](O)C[NH2+][C@H](CC)C[NH+]1CCCC1 ZINC000644569438 384966580 /nfs/dbraw/zinc/96/65/80/384966580.db2.gz PLWUFURQMUJSCF-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)sn1 ZINC000404441778 385005849 /nfs/dbraw/zinc/00/58/49/385005849.db2.gz HSAYENUOWWBWAW-DTORHVGOSA-N 2 2 209.318 0.794 20 0 BCADLP c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)sn1 ZINC000404441778 385005853 /nfs/dbraw/zinc/00/58/53/385005853.db2.gz HSAYENUOWWBWAW-DTORHVGOSA-N 2 2 209.318 0.794 20 0 BCADLP c1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)sn1 ZINC000404441779 385006871 /nfs/dbraw/zinc/00/68/71/385006871.db2.gz HSAYENUOWWBWAW-IUCAKERBSA-N 2 2 209.318 0.794 20 0 BCADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCCC1 ZINC000335312135 385016248 /nfs/dbraw/zinc/01/62/48/385016248.db2.gz BTPJYJHURLKVMK-VXGBXAGGSA-N 2 2 237.347 0.293 20 0 BCADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCCC1 ZINC000335312135 385016252 /nfs/dbraw/zinc/01/62/52/385016252.db2.gz BTPJYJHURLKVMK-VXGBXAGGSA-N 2 2 237.347 0.293 20 0 BCADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H](C)O)CC1 ZINC000644554108 384962502 /nfs/dbraw/zinc/96/25/02/384962502.db2.gz QRBVRXCRZHQYAG-LLVKDONJSA-N 2 2 244.379 0.846 20 0 BCADLP OCC[NH+]1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000086778350 385049137 /nfs/dbraw/zinc/04/91/37/385049137.db2.gz VYLLSGXMCCISNY-UHFFFAOYSA-N 2 2 241.722 0.849 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000646933981 385075921 /nfs/dbraw/zinc/07/59/21/385075921.db2.gz LWEGLRBADLXNCY-ZYHUDNBSSA-N 2 2 248.330 0.423 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000646933981 385075932 /nfs/dbraw/zinc/07/59/32/385075932.db2.gz LWEGLRBADLXNCY-ZYHUDNBSSA-N 2 2 248.330 0.423 20 0 BCADLP C[C@H](CC(=O)N[C@H](C[NH3+])C1CC1)n1cc[nH+]c1 ZINC000518390772 385039843 /nfs/dbraw/zinc/03/98/43/385039843.db2.gz HBDLCWRCVUQHLT-MWLCHTKSSA-N 2 2 236.319 0.688 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H]2CCC[NH2+]CC2)c[nH+]1 ZINC000646987035 385115032 /nfs/dbraw/zinc/11/50/32/385115032.db2.gz BZPYLNRAOIQXRF-VIFPVBQESA-N 2 2 222.292 0.590 20 0 BCADLP Cn1cc[nH+]c1Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000404892662 385142366 /nfs/dbraw/zinc/14/23/66/385142366.db2.gz XQVBSRZPMXCYDT-SNVBAGLBSA-N 2 2 246.318 0.527 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(C)(O)CC1)C1CC1 ZINC000310523498 385105492 /nfs/dbraw/zinc/10/54/92/385105492.db2.gz VLEDOYZOFDMUDT-GFCCVEGCSA-N 2 2 242.363 0.288 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(C)(O)CC1)C1CC1 ZINC000310523498 385105494 /nfs/dbraw/zinc/10/54/94/385105494.db2.gz VLEDOYZOFDMUDT-GFCCVEGCSA-N 2 2 242.363 0.288 20 0 BCADLP C[C@H](CSc1nc(N)cc(N)[nH+]1)[NH+](C)C ZINC000308835658 385201540 /nfs/dbraw/zinc/20/15/40/385201540.db2.gz LCNNRUPEGVHZBR-ZCFIWIBFSA-N 2 2 227.337 0.683 20 0 BCADLP C1CC1[C@@H]([NH2+][C@H]1CC12CC2)[C@@H]1C[NH2+]CCO1 ZINC000424373303 385154412 /nfs/dbraw/zinc/15/44/12/385154412.db2.gz JMTGGJDNARKKMK-SDDRHHMPSA-N 2 2 222.332 0.896 20 0 BCADLP COC(=O)CCC[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000300036123 385165527 /nfs/dbraw/zinc/16/55/27/385165527.db2.gz AKZFYMNZLMSEDE-MNOVXSKESA-N 2 2 228.336 0.999 20 0 BCADLP COC(=O)CCC[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000300036123 385165534 /nfs/dbraw/zinc/16/55/34/385165534.db2.gz AKZFYMNZLMSEDE-MNOVXSKESA-N 2 2 228.336 0.999 20 0 BCADLP CC[NH+]1CCC([N@H+](C)CC(=O)N(C)C)CC1 ZINC000157436183 385177456 /nfs/dbraw/zinc/17/74/56/385177456.db2.gz ILPXTZUOJQRPFZ-UHFFFAOYSA-N 2 2 227.352 0.491 20 0 BCADLP CC[NH+]1CCC([N@@H+](C)CC(=O)N(C)C)CC1 ZINC000157436183 385177462 /nfs/dbraw/zinc/17/74/62/385177462.db2.gz ILPXTZUOJQRPFZ-UHFFFAOYSA-N 2 2 227.352 0.491 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC000178207969 385207416 /nfs/dbraw/zinc/20/74/16/385207416.db2.gz WEZSSIYXXZJOEJ-GHMZBOCLSA-N 2 2 225.336 0.149 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC000178207969 385207420 /nfs/dbraw/zinc/20/74/20/385207420.db2.gz WEZSSIYXXZJOEJ-GHMZBOCLSA-N 2 2 225.336 0.149 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000178207969 385207424 /nfs/dbraw/zinc/20/74/24/385207424.db2.gz WEZSSIYXXZJOEJ-GHMZBOCLSA-N 2 2 225.336 0.149 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000178207969 385207429 /nfs/dbraw/zinc/20/74/29/385207429.db2.gz WEZSSIYXXZJOEJ-GHMZBOCLSA-N 2 2 225.336 0.149 20 0 BCADLP CCCCOCC[N@H+](CC[NH3+])CCO ZINC000308849504 385210116 /nfs/dbraw/zinc/21/01/16/385210116.db2.gz NQKXHRWRFUICOC-UHFFFAOYSA-N 2 2 204.314 0.056 20 0 BCADLP CCCCOCC[N@@H+](CC[NH3+])CCO ZINC000308849504 385210123 /nfs/dbraw/zinc/21/01/23/385210123.db2.gz NQKXHRWRFUICOC-UHFFFAOYSA-N 2 2 204.314 0.056 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000308879004 385233151 /nfs/dbraw/zinc/23/31/51/385233151.db2.gz TVDYGIXYCVKXTK-GHMZBOCLSA-N 2 2 210.325 0.811 20 0 BCADLP C[C@H](C[NH2+][C@@H](C)Cn1cccn1)[NH+](C)C ZINC000308879012 385233579 /nfs/dbraw/zinc/23/35/79/385233579.db2.gz TVDYGIXYCVKXTK-WDEREUQCSA-N 2 2 210.325 0.811 20 0 BCADLP CC[C@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000569111933 385235571 /nfs/dbraw/zinc/23/55/71/385235571.db2.gz FUOJJNJBEBPGNA-IUCAKERBSA-N 2 2 209.293 0.628 20 0 BCADLP CC[C@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000569111933 385235577 /nfs/dbraw/zinc/23/55/77/385235577.db2.gz FUOJJNJBEBPGNA-IUCAKERBSA-N 2 2 209.293 0.628 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316642463 385314997 /nfs/dbraw/zinc/31/49/97/385314997.db2.gz GFHMSSUMMOSPDO-WOPDTQHZSA-N 2 2 241.379 0.959 20 0 BCADLP CC(C)NC(=O)C[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316642463 385315000 /nfs/dbraw/zinc/31/50/00/385315000.db2.gz GFHMSSUMMOSPDO-WOPDTQHZSA-N 2 2 241.379 0.959 20 0 BCADLP C[C@H](O)C[N@H+](CCCn1cc[nH+]c1)[C@@H](C)CO ZINC000190895909 385265801 /nfs/dbraw/zinc/26/58/01/385265801.db2.gz HNMYFKPWOLCGKN-RYUDHWBXSA-N 2 2 241.335 0.337 20 0 BCADLP C[C@H](O)C[N@@H+](CCCn1cc[nH+]c1)[C@@H](C)CO ZINC000190895909 385265804 /nfs/dbraw/zinc/26/58/04/385265804.db2.gz HNMYFKPWOLCGKN-RYUDHWBXSA-N 2 2 241.335 0.337 20 0 BCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCn2cncn2)[C@H]1C ZINC000316800866 385329871 /nfs/dbraw/zinc/32/98/71/385329871.db2.gz HFOTYJRANAIMCP-GRYCIOLGSA-N 2 2 237.351 0.726 20 0 BCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCn2cncn2)[C@H]1C ZINC000316800866 385329874 /nfs/dbraw/zinc/32/98/74/385329874.db2.gz HFOTYJRANAIMCP-GRYCIOLGSA-N 2 2 237.351 0.726 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@](C)(O)C[NH2+]C)C1 ZINC000517036161 385331582 /nfs/dbraw/zinc/33/15/82/385331582.db2.gz XBWAZLSGOVINNL-QWHCGFSZSA-N 3 2 243.395 0.230 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@](C)(O)C[NH2+]C)C1 ZINC000517036161 385331586 /nfs/dbraw/zinc/33/15/86/385331586.db2.gz XBWAZLSGOVINNL-QWHCGFSZSA-N 3 2 243.395 0.230 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000517036161 385331589 /nfs/dbraw/zinc/33/15/89/385331589.db2.gz XBWAZLSGOVINNL-QWHCGFSZSA-N 3 2 243.395 0.230 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000517036161 385331594 /nfs/dbraw/zinc/33/15/94/385331594.db2.gz XBWAZLSGOVINNL-QWHCGFSZSA-N 3 2 243.395 0.230 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+](C[C@](C)(O)C[NH2+]C)C1 ZINC000517036159 385332565 /nfs/dbraw/zinc/33/25/65/385332565.db2.gz XBWAZLSGOVINNL-CHWSQXEVSA-N 3 2 243.395 0.230 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@](C)(O)C[NH2+]C)C1 ZINC000517036159 385332569 /nfs/dbraw/zinc/33/25/69/385332569.db2.gz XBWAZLSGOVINNL-CHWSQXEVSA-N 3 2 243.395 0.230 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000517036159 385332571 /nfs/dbraw/zinc/33/25/71/385332571.db2.gz XBWAZLSGOVINNL-CHWSQXEVSA-N 3 2 243.395 0.230 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000517036159 385332574 /nfs/dbraw/zinc/33/25/74/385332574.db2.gz XBWAZLSGOVINNL-CHWSQXEVSA-N 3 2 243.395 0.230 20 0 BCADLP Cc1n[nH]c(C)c1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000131466025 385337220 /nfs/dbraw/zinc/33/72/20/385337220.db2.gz LTIQHMPTWJKLSH-LBPRGKRZSA-N 2 2 240.351 0.429 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000644733254 385339356 /nfs/dbraw/zinc/33/93/56/385339356.db2.gz NILLQEHJYDYLES-ZYHUDNBSSA-N 2 2 220.320 0.556 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000644733254 385339359 /nfs/dbraw/zinc/33/93/59/385339359.db2.gz NILLQEHJYDYLES-ZYHUDNBSSA-N 2 2 220.320 0.556 20 0 BCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2c[nH]c[nH+]2)C1 ZINC000644733733 385353958 /nfs/dbraw/zinc/35/39/58/385353958.db2.gz LHLXMPGXAYPOBS-ONGXEEELSA-N 2 2 206.293 0.546 20 0 BCADLP Nc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000131809362 385362885 /nfs/dbraw/zinc/36/28/85/385362885.db2.gz LBNMGQMIXCKHRB-MRVPVSSYSA-N 2 2 220.276 0.602 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CC[N@H+]1CC=CCC1 ZINC000280857262 385378392 /nfs/dbraw/zinc/37/83/92/385378392.db2.gz BWYCLBQEMQQZPR-SNVBAGLBSA-N 2 2 211.309 0.102 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CC[N@@H+]1CC=CCC1 ZINC000280857262 385378396 /nfs/dbraw/zinc/37/83/96/385378396.db2.gz BWYCLBQEMQQZPR-SNVBAGLBSA-N 2 2 211.309 0.102 20 0 BCADLP CC[C@H](O)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000309041742 385388051 /nfs/dbraw/zinc/38/80/51/385388051.db2.gz LPYPRLRBRDIPQP-USWWRNFRSA-N 2 2 212.337 0.830 20 0 BCADLP CC[C@H](O)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000309041742 385388056 /nfs/dbraw/zinc/38/80/56/385388056.db2.gz LPYPRLRBRDIPQP-USWWRNFRSA-N 2 2 212.337 0.830 20 0 BCADLP CO[C@H](C[NH2+]CCC[NH+]1CCOCC1)C1CC1 ZINC000400155467 385327446 /nfs/dbraw/zinc/32/74/46/385327446.db2.gz HDYIEAIFIHYGJU-CYBMUJFWSA-N 2 2 242.363 0.723 20 0 BCADLP Cc1c[nH]nc1C[NH2+]CCn1cc[nH+]c1 ZINC000309083848 385401019 /nfs/dbraw/zinc/40/10/19/385401019.db2.gz UOAKENDDXBIWOI-UHFFFAOYSA-N 2 2 205.265 0.704 20 0 BCADLP CO[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000179243479 385454301 /nfs/dbraw/zinc/45/43/01/385454301.db2.gz POGHWGWQRRWFAN-NSHDSACASA-N 2 2 209.293 0.994 20 0 BCADLP CO[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000179243479 385454305 /nfs/dbraw/zinc/45/43/05/385454305.db2.gz POGHWGWQRRWFAN-NSHDSACASA-N 2 2 209.293 0.994 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)Cc1cnccn1 ZINC000179249256 385454706 /nfs/dbraw/zinc/45/47/06/385454706.db2.gz CBRVUTSSODUVLY-UHFFFAOYSA-N 2 2 217.276 0.805 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)Cc1cnccn1 ZINC000179249256 385454708 /nfs/dbraw/zinc/45/47/08/385454708.db2.gz CBRVUTSSODUVLY-UHFFFAOYSA-N 2 2 217.276 0.805 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000380205427 385467781 /nfs/dbraw/zinc/46/77/81/385467781.db2.gz FNNNTUMUBWHRCS-RKDXNWHRSA-N 2 2 222.292 0.462 20 0 BCADLP Cc1nc(N2CC[C@H]3CC[NH2+][C@H]3C2)cc[nH+]1 ZINC000643030815 385527819 /nfs/dbraw/zinc/52/78/19/385527819.db2.gz AQWIFOZIUYUTJT-MNOVXSKESA-N 2 2 218.304 0.973 20 0 BCADLP COC(=O)C[N@H+](CCc1c[nH+]cn1C)C(C)C ZINC000298334357 385552896 /nfs/dbraw/zinc/55/28/96/385552896.db2.gz IXUBAACVMUQPEO-UHFFFAOYSA-N 2 2 239.319 0.846 20 0 BCADLP COC(=O)C[N@@H+](CCc1c[nH+]cn1C)C(C)C ZINC000298334357 385552898 /nfs/dbraw/zinc/55/28/98/385552898.db2.gz IXUBAACVMUQPEO-UHFFFAOYSA-N 2 2 239.319 0.846 20 0 BCADLP CC[N@@H+]1CC[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493297431 385560492 /nfs/dbraw/zinc/56/04/92/385560492.db2.gz DJAYQKRHNXNUDI-UFFNRZRYSA-N 2 2 234.303 0.633 20 0 BCADLP CC[N@H+]1CC[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493297431 385560495 /nfs/dbraw/zinc/56/04/95/385560495.db2.gz DJAYQKRHNXNUDI-UFFNRZRYSA-N 2 2 234.303 0.633 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000309475040 385596857 /nfs/dbraw/zinc/59/68/57/385596857.db2.gz RSYSLWQZFOQACB-ONGXEEELSA-N 2 2 245.392 0.277 20 0 BCADLP O=C1C[N@H+](CCCn2cc[nH+]c2)CCN1C1CC1 ZINC000337380055 385621862 /nfs/dbraw/zinc/62/18/62/385621862.db2.gz XYOWBGRFTOWSHE-UHFFFAOYSA-N 2 2 248.330 0.580 20 0 BCADLP O=C1C[N@@H+](CCCn2cc[nH+]c2)CCN1C1CC1 ZINC000337380055 385621867 /nfs/dbraw/zinc/62/18/67/385621867.db2.gz XYOWBGRFTOWSHE-UHFFFAOYSA-N 2 2 248.330 0.580 20 0 BCADLP CC[N@H+](C)CC[NH2+]CC[C@H]1CCOC1 ZINC000336653018 385652059 /nfs/dbraw/zinc/65/20/59/385652059.db2.gz KYPBSNRYZQITIR-NSHDSACASA-N 2 2 200.326 0.954 20 0 BCADLP CC[N@@H+](C)CC[NH2+]CC[C@H]1CCOC1 ZINC000336653018 385652065 /nfs/dbraw/zinc/65/20/65/385652065.db2.gz KYPBSNRYZQITIR-NSHDSACASA-N 2 2 200.326 0.954 20 0 BCADLP CC[C@H](C)C[NH2+]CC[N@H+](CC)CCO ZINC000184540587 385674316 /nfs/dbraw/zinc/67/43/16/385674316.db2.gz PKXMGDOUAURLAG-NSHDSACASA-N 2 2 202.342 0.936 20 0 BCADLP CC[C@H](C)C[NH2+]CC[N@@H+](CC)CCO ZINC000184540587 385674320 /nfs/dbraw/zinc/67/43/20/385674320.db2.gz PKXMGDOUAURLAG-NSHDSACASA-N 2 2 202.342 0.936 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]Cc1ccncc1 ZINC000184543835 385675273 /nfs/dbraw/zinc/67/52/73/385675273.db2.gz VABIDXAKHYTQLR-UHFFFAOYSA-N 2 2 223.320 0.485 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccncc1 ZINC000184543835 385675279 /nfs/dbraw/zinc/67/52/79/385675279.db2.gz VABIDXAKHYTQLR-UHFFFAOYSA-N 2 2 223.320 0.485 20 0 BCADLP CC(C)(C)[C@@H]([NH2+]CCCn1cc[nH+]c1)C(N)=O ZINC000182895379 385718101 /nfs/dbraw/zinc/71/81/01/385718101.db2.gz PGOBXCNABIPGCL-JTQLQIEISA-N 2 2 238.335 0.763 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CC[NH+]1CCCCCC1 ZINC000309525007 385667759 /nfs/dbraw/zinc/66/77/59/385667759.db2.gz CLULEUUJTMNRJX-NSHDSACASA-N 2 2 227.352 0.716 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CC[NH+]1CCCCCC1 ZINC000309525006 385667828 /nfs/dbraw/zinc/66/78/28/385667828.db2.gz CLULEUUJTMNRJX-LLVKDONJSA-N 2 2 227.352 0.716 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)C[C@@H]1CCC[C@H]1O ZINC000270940324 385761914 /nfs/dbraw/zinc/76/19/14/385761914.db2.gz YOBZMNPWAUZFRX-NWDGAFQWSA-N 2 2 223.320 0.976 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)C[C@@H]1CCC[C@H]1O ZINC000270940324 385761922 /nfs/dbraw/zinc/76/19/22/385761922.db2.gz YOBZMNPWAUZFRX-NWDGAFQWSA-N 2 2 223.320 0.976 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)C[C@H]1CCC[C@@H]1O ZINC000270940322 385763155 /nfs/dbraw/zinc/76/31/55/385763155.db2.gz YOBZMNPWAUZFRX-NEPJUHHUSA-N 2 2 223.320 0.976 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)C[C@H]1CCC[C@@H]1O ZINC000270940322 385763160 /nfs/dbraw/zinc/76/31/60/385763160.db2.gz YOBZMNPWAUZFRX-NEPJUHHUSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H](C[N@@H+]1CC[C@@](C)(C[NH3+])C1)CS(C)(=O)=O ZINC000337761555 385770985 /nfs/dbraw/zinc/77/09/85/385770985.db2.gz PJLBAYPIGYYCIO-QWRGUYRKSA-N 2 2 248.392 0.338 20 0 BCADLP C[C@@H](C[N@H+]1CC[C@@](C)(C[NH3+])C1)CS(C)(=O)=O ZINC000337761555 385770989 /nfs/dbraw/zinc/77/09/89/385770989.db2.gz PJLBAYPIGYYCIO-QWRGUYRKSA-N 2 2 248.392 0.338 20 0 BCADLP CCOC[C@@H](C)[NH2+]CC[N@H+](CC)CCO ZINC000186577434 385771518 /nfs/dbraw/zinc/77/15/18/385771518.db2.gz CUJVBCHFOLVQNH-LLVKDONJSA-N 2 2 218.341 0.315 20 0 BCADLP CCOC[C@@H](C)[NH2+]CC[N@@H+](CC)CCO ZINC000186577434 385771523 /nfs/dbraw/zinc/77/15/23/385771523.db2.gz CUJVBCHFOLVQNH-LLVKDONJSA-N 2 2 218.341 0.315 20 0 BCADLP COCC[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336655915 385772915 /nfs/dbraw/zinc/77/29/15/385772915.db2.gz NZTXYMXNSKAKMS-DCAQKATOSA-N 2 2 200.326 0.951 20 0 BCADLP COCC[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336655915 385772920 /nfs/dbraw/zinc/77/29/20/385772920.db2.gz NZTXYMXNSKAKMS-DCAQKATOSA-N 2 2 200.326 0.951 20 0 BCADLP COCC[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336655917 385773367 /nfs/dbraw/zinc/77/33/67/385773367.db2.gz NZTXYMXNSKAKMS-OUAUKWLOSA-N 2 2 200.326 0.951 20 0 BCADLP COCC[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336655917 385773373 /nfs/dbraw/zinc/77/33/73/385773373.db2.gz NZTXYMXNSKAKMS-OUAUKWLOSA-N 2 2 200.326 0.951 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H](C)CCOC ZINC000186580032 385774117 /nfs/dbraw/zinc/77/41/17/385774117.db2.gz JRFSTFMEMPIDQN-LLVKDONJSA-N 2 2 218.341 0.315 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)CCOC ZINC000186580032 385774122 /nfs/dbraw/zinc/77/41/22/385774122.db2.gz JRFSTFMEMPIDQN-LLVKDONJSA-N 2 2 218.341 0.315 20 0 BCADLP Cn1cc[nH+]c1N1CC[NH+](CC2CC2)CC1 ZINC000270568692 385720367 /nfs/dbraw/zinc/72/03/67/385720367.db2.gz ZRTQBBGYJWBXGS-UHFFFAOYSA-N 2 2 220.320 0.952 20 0 BCADLP C[C@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000281994665 385721588 /nfs/dbraw/zinc/72/15/88/385721588.db2.gz NCXDELPUWCHDNZ-UWVGGRQHSA-N 2 2 209.293 0.970 20 0 BCADLP C[C@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000281994665 385721594 /nfs/dbraw/zinc/72/15/94/385721594.db2.gz NCXDELPUWCHDNZ-UWVGGRQHSA-N 2 2 209.293 0.970 20 0 BCADLP C[C@@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000281994668 385721729 /nfs/dbraw/zinc/72/17/29/385721729.db2.gz NCXDELPUWCHDNZ-ZJUUUORDSA-N 2 2 209.293 0.970 20 0 BCADLP C[C@@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000281994668 385721734 /nfs/dbraw/zinc/72/17/34/385721734.db2.gz NCXDELPUWCHDNZ-ZJUUUORDSA-N 2 2 209.293 0.970 20 0 BCADLP COCC[NH2+]CC[NH2+]Cc1cnccc1C ZINC000414867219 385799042 /nfs/dbraw/zinc/79/90/42/385799042.db2.gz CDVCXGPEPCCJRY-UHFFFAOYSA-N 2 2 223.320 0.716 20 0 BCADLP CCC[NH2+]CC[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000414867825 385812714 /nfs/dbraw/zinc/81/27/14/385812714.db2.gz JKIKLQFAPWUCJC-UHFFFAOYSA-N 2 2 239.319 0.891 20 0 BCADLP CC[NH2+][C@H](C)C[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000414952727 385826718 /nfs/dbraw/zinc/82/67/18/385826718.db2.gz IVBRBALYPPBMCF-SECBINFHSA-N 2 2 239.319 0.889 20 0 BCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1cccc(O)c1 ZINC000414957434 385851786 /nfs/dbraw/zinc/85/17/86/385851786.db2.gz BNJDLQDTPNBPRP-GFCCVEGCSA-N 2 2 235.331 0.385 20 0 BCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cccc(O)c1 ZINC000414957437 385852100 /nfs/dbraw/zinc/85/21/00/385852100.db2.gz BNJDLQDTPNBPRP-LBPRGKRZSA-N 2 2 235.331 0.385 20 0 BCADLP CN(CC[NH+](C)C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000284272361 385859184 /nfs/dbraw/zinc/85/91/84/385859184.db2.gz DWVHKOYSTNVAJB-SNAWJCMRSA-N 2 2 222.292 0.443 20 0 BCADLP Cc1cc(NC(=O)[C@@H](C)[N@H+](C)CCC[NH3+])on1 ZINC000647849324 385900471 /nfs/dbraw/zinc/90/04/71/385900471.db2.gz PEJBWUGFJWBTRA-SECBINFHSA-N 2 2 240.307 0.591 20 0 BCADLP Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+])on1 ZINC000647849324 385900476 /nfs/dbraw/zinc/90/04/76/385900476.db2.gz PEJBWUGFJWBTRA-SECBINFHSA-N 2 2 240.307 0.591 20 0 BCADLP C[N@H+](CCC[NH3+])[C@@H](C(N)=O)c1ccccc1 ZINC000647849521 385901711 /nfs/dbraw/zinc/90/17/11/385901711.db2.gz WVDZNMZFDZCEBF-LLVKDONJSA-N 2 2 221.304 0.494 20 0 BCADLP C[N@@H+](CCC[NH3+])[C@@H](C(N)=O)c1ccccc1 ZINC000647849521 385901714 /nfs/dbraw/zinc/90/17/14/385901714.db2.gz WVDZNMZFDZCEBF-LLVKDONJSA-N 2 2 221.304 0.494 20 0 BCADLP Cn1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1=O ZINC000647854646 385908480 /nfs/dbraw/zinc/90/84/80/385908480.db2.gz HUFGKHYJZPXAKS-OLZOCXBDSA-N 2 2 247.342 0.712 20 0 BCADLP Cn1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1=O ZINC000647854646 385908481 /nfs/dbraw/zinc/90/84/81/385908481.db2.gz HUFGKHYJZPXAKS-OLZOCXBDSA-N 2 2 247.342 0.712 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c[nH+]1 ZINC000335039761 385930201 /nfs/dbraw/zinc/93/02/01/385930201.db2.gz SQTPTVMYOUQHON-UWVGGRQHSA-N 2 2 236.319 0.965 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414959676 385869244 /nfs/dbraw/zinc/86/92/44/385869244.db2.gz TZALJKVKBFJRHS-TUAOUCFPSA-N 3 2 211.353 0.859 20 0 BCADLP CCCCNC(=O)CC[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000647838021 385881867 /nfs/dbraw/zinc/88/18/67/385881867.db2.gz GUMHPQMQKRKVKB-LLVKDONJSA-N 2 2 227.352 0.587 20 0 BCADLP CCCCNC(=O)CC[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000647838021 385881870 /nfs/dbraw/zinc/88/18/70/385881870.db2.gz GUMHPQMQKRKVKB-LLVKDONJSA-N 2 2 227.352 0.587 20 0 BCADLP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000338281421 385944866 /nfs/dbraw/zinc/94/48/66/385944866.db2.gz DMOIBFUFPWSRDC-LLVKDONJSA-N 2 2 242.367 0.461 20 0 BCADLP CC[NH+](CC)CCC[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000338281421 385944871 /nfs/dbraw/zinc/94/48/71/385944871.db2.gz DMOIBFUFPWSRDC-LLVKDONJSA-N 2 2 242.367 0.461 20 0 BCADLP CC[NH+](CC)CCC[N@H+](C)[C@@H]1CCNC1=O ZINC000338281002 385945776 /nfs/dbraw/zinc/94/57/76/385945776.db2.gz WGFAIOURNAJRQI-LLVKDONJSA-N 2 2 227.352 0.539 20 0 BCADLP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1CCNC1=O ZINC000338281002 385945793 /nfs/dbraw/zinc/94/57/93/385945793.db2.gz WGFAIOURNAJRQI-LLVKDONJSA-N 2 2 227.352 0.539 20 0 BCADLP CO[C@H](C)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000272933548 385952884 /nfs/dbraw/zinc/95/28/84/385952884.db2.gz KGLFKWDLPVHDKJ-LLVKDONJSA-N 2 2 238.335 0.577 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](Cc2cccc(N)c2)CCO1 ZINC000647865921 386000875 /nfs/dbraw/zinc/00/08/75/386000875.db2.gz XLGNDNNKNUYMAX-MFKMUULPSA-N 2 2 235.331 0.817 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](Cc2cccc(N)c2)CCO1 ZINC000647865921 386000881 /nfs/dbraw/zinc/00/08/81/386000881.db2.gz XLGNDNNKNUYMAX-MFKMUULPSA-N 2 2 235.331 0.817 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C[C@H]1CCC[N@@H+]1C ZINC000643256315 386002305 /nfs/dbraw/zinc/00/23/05/386002305.db2.gz FYDHMLUSQSLMQR-LLVKDONJSA-N 2 2 208.309 0.936 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C[C@H]1CCC[N@H+]1C ZINC000643256315 386002309 /nfs/dbraw/zinc/00/23/09/386002309.db2.gz FYDHMLUSQSLMQR-LLVKDONJSA-N 2 2 208.309 0.936 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C[C@H]1CCC[N@@H+]1C ZINC000643256315 386002314 /nfs/dbraw/zinc/00/23/14/386002314.db2.gz FYDHMLUSQSLMQR-LLVKDONJSA-N 2 2 208.309 0.936 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C[C@H]1CCC[N@H+]1C ZINC000643256315 386002319 /nfs/dbraw/zinc/00/23/19/386002319.db2.gz FYDHMLUSQSLMQR-LLVKDONJSA-N 2 2 208.309 0.936 20 0 BCADLP CC[C@H](Cn1cncn1)[NH2+][C@@H](C)C[NH+](C)C ZINC000336751119 386006425 /nfs/dbraw/zinc/00/64/25/386006425.db2.gz ZYLDQRLQWMTVMD-WDEREUQCSA-N 2 2 225.340 0.596 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000336770301 386012160 /nfs/dbraw/zinc/01/21/60/386012160.db2.gz WLHAOUDTFATOSY-OPRDCNLKSA-N 2 2 213.325 0.323 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000336770301 386012166 /nfs/dbraw/zinc/01/21/66/386012166.db2.gz WLHAOUDTFATOSY-OPRDCNLKSA-N 2 2 213.325 0.323 20 0 BCADLP COCC[NH2+]CC[NH2+]Cc1nc(C)ccc1O ZINC000414882500 386014245 /nfs/dbraw/zinc/01/42/45/386014245.db2.gz LJVZZVCSIFKGCH-UHFFFAOYSA-N 2 2 239.319 0.421 20 0 BCADLP COCC[C@]1([NH2+]Cc2c[nH+]c[nH]2)CCOC1 ZINC000336770483 386017657 /nfs/dbraw/zinc/01/76/57/386017657.db2.gz SYFPCKXATXYTPJ-NSHDSACASA-N 2 2 225.292 0.695 20 0 BCADLP C[NH2+][C@@H](C)C[NH2+]Cc1cnc2n[nH]c(C)c2c1 ZINC000414976318 386021334 /nfs/dbraw/zinc/02/13/34/386021334.db2.gz PIIPXLCDOYRRRS-QMMMGPOBSA-N 2 2 233.319 0.964 20 0 BCADLP CC1(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C[NH2+]C1 ZINC000335061437 386027278 /nfs/dbraw/zinc/02/72/78/386027278.db2.gz UAKJJQHGPILROL-SNVBAGLBSA-N 2 2 248.330 0.725 20 0 BCADLP C[NH+](C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000074726805 386037394 /nfs/dbraw/zinc/03/73/94/386037394.db2.gz MDRXOWALKIUWIQ-UHFFFAOYSA-N 2 2 210.281 0.020 20 0 BCADLP C[NH+](C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000074726805 386037406 /nfs/dbraw/zinc/03/74/06/386037406.db2.gz MDRXOWALKIUWIQ-UHFFFAOYSA-N 2 2 210.281 0.020 20 0 BCADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC000414986162 386100825 /nfs/dbraw/zinc/10/08/25/386100825.db2.gz XLUKLZJKDZOCGQ-MRVPVSSYSA-N 2 2 225.292 0.628 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000415378574 386068704 /nfs/dbraw/zinc/06/87/04/386068704.db2.gz CLDOZIGNVCPMNO-NSHDSACASA-N 2 2 234.303 0.671 20 0 BCADLP CC[C@@H]([NH3+])CNC(=O)Nc1cc[nH+]cc1C ZINC000415381371 386069319 /nfs/dbraw/zinc/06/93/19/386069319.db2.gz IOSPTCIVFYOFPA-SECBINFHSA-N 2 2 222.292 0.671 20 0 BCADLP COC(=O)c1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)[nH]1 ZINC000414886156 386072092 /nfs/dbraw/zinc/07/20/92/386072092.db2.gz HEYZXFSDIMNGLO-JTQLQIEISA-N 2 2 237.303 0.628 20 0 BCADLP Cc1cc(NC(=O)NCCCC[NH3+])cc[nH+]1 ZINC000415396643 386072928 /nfs/dbraw/zinc/07/29/28/386072928.db2.gz OEYQFLHVPJNWDM-UHFFFAOYSA-N 2 2 222.292 0.672 20 0 BCADLP CC[C@@H]([NH3+])CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000415397135 386073874 /nfs/dbraw/zinc/07/38/74/386073874.db2.gz PAALLPCQBIGRAH-SECBINFHSA-N 2 2 222.292 0.671 20 0 BCADLP Cc1[nH+]ccn1CCN1CC[N@H+](C)C[C@H]1C ZINC000334451041 386090208 /nfs/dbraw/zinc/09/02/08/386090208.db2.gz UOFFRXHVJHRLKX-LLVKDONJSA-N 2 2 222.336 0.827 20 0 BCADLP COc1ccncc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000310091822 386096676 /nfs/dbraw/zinc/09/66/76/386096676.db2.gz RQRNJZABXLBOAJ-PHIMTYICSA-N 2 2 233.315 0.741 20 0 BCADLP COc1ccncc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000310091822 386096679 /nfs/dbraw/zinc/09/66/79/386096679.db2.gz RQRNJZABXLBOAJ-PHIMTYICSA-N 2 2 233.315 0.741 20 0 BCADLP C[C@H](C[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000274415299 386099789 /nfs/dbraw/zinc/09/97/89/386099789.db2.gz JVXUZQYCENKIHV-SECBINFHSA-N 2 2 245.286 0.344 20 0 BCADLP COC(=O)c1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)o1 ZINC000414892057 386144653 /nfs/dbraw/zinc/14/46/53/386144653.db2.gz IWFSRHPDGPSDRZ-JTQLQIEISA-N 2 2 238.287 0.893 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000164631924 386169111 /nfs/dbraw/zinc/16/91/11/386169111.db2.gz GZYFVPINCCNVSB-PWSUYJOCSA-N 2 2 223.320 0.894 20 0 BCADLP C[C@H]1C[N@H+](CCCn2cc[nH+]c2)CC[C@@H]1O ZINC000164615917 386171128 /nfs/dbraw/zinc/17/11/28/386171128.db2.gz TUSJHCOMCVGYIA-RYUDHWBXSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CC[C@@H]1O ZINC000164615917 386171132 /nfs/dbraw/zinc/17/11/32/386171132.db2.gz TUSJHCOMCVGYIA-RYUDHWBXSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[NH2+]1 ZINC000310390203 386177569 /nfs/dbraw/zinc/17/75/69/386177569.db2.gz KWMJZTAVNAIKDF-GHMZBOCLSA-N 2 2 236.319 0.530 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000414689503 386178568 /nfs/dbraw/zinc/17/85/68/386178568.db2.gz FSYUYSVBWBOYCZ-STQMWFEESA-N 2 2 244.379 0.833 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H](OCCO)C1 ZINC000414689503 386178573 /nfs/dbraw/zinc/17/85/73/386178573.db2.gz FSYUYSVBWBOYCZ-STQMWFEESA-N 2 2 244.379 0.833 20 0 BCADLP CC[C@@H]([NH3+])C[NH2+]Cc1c(Cl)cnn1C ZINC000414988120 386127881 /nfs/dbraw/zinc/12/78/81/386127881.db2.gz LHMWPLTZPCQVBL-SSDOTTSWSA-N 2 2 216.716 0.900 20 0 BCADLP CCCCNC(=O)CC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000346087526 386141800 /nfs/dbraw/zinc/14/18/00/386141800.db2.gz JGHIYZFCXWPIQD-NSHDSACASA-N 2 2 227.352 0.716 20 0 BCADLP CCCCNC(=O)CC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000346087526 386141803 /nfs/dbraw/zinc/14/18/03/386141803.db2.gz JGHIYZFCXWPIQD-NSHDSACASA-N 2 2 227.352 0.716 20 0 BCADLP CC(C)C[C@H]([NH3+])C[NH+]1CCC(CC(N)=O)CC1 ZINC000414674597 386142313 /nfs/dbraw/zinc/14/23/13/386142313.db2.gz KSLJWBDYIMVBJL-LBPRGKRZSA-N 2 2 241.379 0.947 20 0 BCADLP C[C@@H]1C[N@H+](CC(C)(C)[NH3+])C[C@@H]1N1CCOCC1 ZINC000346980572 386203164 /nfs/dbraw/zinc/20/31/64/386203164.db2.gz LZZJIFJLCJDXJO-NEPJUHHUSA-N 2 2 241.379 0.376 20 0 BCADLP C[C@@H]1C[N@@H+](CC(C)(C)[NH3+])C[C@@H]1N1CCOCC1 ZINC000346980572 386203168 /nfs/dbraw/zinc/20/31/68/386203168.db2.gz LZZJIFJLCJDXJO-NEPJUHHUSA-N 2 2 241.379 0.376 20 0 BCADLP C[C@@H]1C[N@H+](Cc2cnc3cnccn23)CC[C@@H]1[NH3+] ZINC000347054500 386207502 /nfs/dbraw/zinc/20/75/02/386207502.db2.gz SWVYZBOFWXVHLS-PWSUYJOCSA-N 2 2 245.330 0.898 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2cnc3cnccn23)CC[C@@H]1[NH3+] ZINC000347054500 386207508 /nfs/dbraw/zinc/20/75/08/386207508.db2.gz SWVYZBOFWXVHLS-PWSUYJOCSA-N 2 2 245.330 0.898 20 0 BCADLP O=C1CCN(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000365610850 386209480 /nfs/dbraw/zinc/20/94/80/386209480.db2.gz GCPYLRJPHYPQSB-JTQLQIEISA-N 2 2 248.330 0.479 20 0 BCADLP O=C1CCN(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000365610850 386209487 /nfs/dbraw/zinc/20/94/87/386209487.db2.gz GCPYLRJPHYPQSB-JTQLQIEISA-N 2 2 248.330 0.479 20 0 BCADLP CC1(C)C[N@H+](CCn2cc[nH+]c2)CC[C@@H]1O ZINC000275522399 386218558 /nfs/dbraw/zinc/21/85/58/386218558.db2.gz VPQCWOGCSLXGFN-NSHDSACASA-N 2 2 223.320 0.976 20 0 BCADLP CC1(C)C[N@@H+](CCn2cc[nH+]c2)CC[C@@H]1O ZINC000275522399 386218563 /nfs/dbraw/zinc/21/85/63/386218563.db2.gz VPQCWOGCSLXGFN-NSHDSACASA-N 2 2 223.320 0.976 20 0 BCADLP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])o1 ZINC000415000492 386222500 /nfs/dbraw/zinc/22/25/00/386222500.db2.gz BEKMCIUHTSOHMQ-SFYZADRCSA-N 2 2 226.276 0.892 20 0 BCADLP C[N@H+](CCC[NH3+])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000414714428 386233486 /nfs/dbraw/zinc/23/34/86/386233486.db2.gz VQWYSIQZBPHBFW-WDEREUQCSA-N 2 2 248.392 0.623 20 0 BCADLP C[N@@H+](CCC[NH3+])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000414714428 386233493 /nfs/dbraw/zinc/23/34/93/386233493.db2.gz VQWYSIQZBPHBFW-WDEREUQCSA-N 2 2 248.392 0.623 20 0 BCADLP Cc1nc(NC[C@@H]2CC[N@@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000310699861 386235962 /nfs/dbraw/zinc/23/59/62/386235962.db2.gz WCXJNQFKOPWXII-VIFPVBQESA-N 2 2 248.334 0.658 20 0 BCADLP Cc1nc(NC[C@@H]2CC[N@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000310699861 386235964 /nfs/dbraw/zinc/23/59/64/386235964.db2.gz WCXJNQFKOPWXII-VIFPVBQESA-N 2 2 248.334 0.658 20 0 BCADLP Cc1nc(N)nc(NC[C@@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000310699861 386235970 /nfs/dbraw/zinc/23/59/70/386235970.db2.gz WCXJNQFKOPWXII-VIFPVBQESA-N 2 2 248.334 0.658 20 0 BCADLP Cc1nc(N)nc(NC[C@@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000310699861 386235974 /nfs/dbraw/zinc/23/59/74/386235974.db2.gz WCXJNQFKOPWXII-VIFPVBQESA-N 2 2 248.334 0.658 20 0 BCADLP COC(=O)[C@H]1CCCC[N@@H+]1CCC[NH3+] ZINC000125298177 386243057 /nfs/dbraw/zinc/24/30/57/386243057.db2.gz PLHPUFVPKXBZRT-SECBINFHSA-N 2 2 200.282 0.363 20 0 BCADLP COC(=O)[C@H]1CCCC[N@H+]1CCC[NH3+] ZINC000125298177 386243063 /nfs/dbraw/zinc/24/30/63/386243063.db2.gz PLHPUFVPKXBZRT-SECBINFHSA-N 2 2 200.282 0.363 20 0 BCADLP CNC(=O)c1ccc(C[N@H+](C)[C@H](C)C[NH3+])cc1 ZINC000347103212 386249820 /nfs/dbraw/zinc/24/98/20/386249820.db2.gz MIABTIIIJXPNHF-SNVBAGLBSA-N 2 2 235.331 0.825 20 0 BCADLP CNC(=O)c1ccc(C[N@@H+](C)[C@H](C)C[NH3+])cc1 ZINC000347103212 386249822 /nfs/dbraw/zinc/24/98/22/386249822.db2.gz MIABTIIIJXPNHF-SNVBAGLBSA-N 2 2 235.331 0.825 20 0 BCADLP C[NH+](C)[C@@H](CNC(N)=[NH2+])c1ccc(F)cc1 ZINC000263942422 386195082 /nfs/dbraw/zinc/19/50/82/386195082.db2.gz DGRWTEUNOJQREO-JTQLQIEISA-N 2 2 224.283 0.911 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000133253961 386288745 /nfs/dbraw/zinc/28/87/45/386288745.db2.gz FRWHIZSQPAPUAC-MNOVXSKESA-N 2 2 220.320 0.746 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H]1CC[NH2+]C1 ZINC000647987985 386290856 /nfs/dbraw/zinc/29/08/56/386290856.db2.gz BPULNSUKBHCZEQ-WISYIIOYSA-N 3 2 211.353 0.572 20 0 BCADLP C[C@H](CO)[N@@H+](CCc1c[nH+]cn1C)C[C@H](C)O ZINC000289491365 386317263 /nfs/dbraw/zinc/31/72/63/386317263.db2.gz CNETWCJUIBRAOR-MNOVXSKESA-N 2 2 241.335 0.026 20 0 BCADLP C[C@H](CO)[N@H+](CCc1c[nH+]cn1C)C[C@H](C)O ZINC000289491365 386317266 /nfs/dbraw/zinc/31/72/66/386317266.db2.gz CNETWCJUIBRAOR-MNOVXSKESA-N 2 2 241.335 0.026 20 0 BCADLP CC(C)N1C(=O)C[N@H+](CCC[NH3+])CC1(C)C ZINC000414737837 386318092 /nfs/dbraw/zinc/31/80/92/386318092.db2.gz IXOXIEDOZOZUKC-UHFFFAOYSA-N 2 2 227.352 0.666 20 0 BCADLP CC(C)N1C(=O)C[N@@H+](CCC[NH3+])CC1(C)C ZINC000414737837 386318096 /nfs/dbraw/zinc/31/80/96/386318096.db2.gz IXOXIEDOZOZUKC-UHFFFAOYSA-N 2 2 227.352 0.666 20 0 BCADLP CCC[C@]1(C)C(=O)NCC[N@H+]1CCC[NH3+] ZINC000414739039 386321293 /nfs/dbraw/zinc/32/12/93/386321293.db2.gz IRZRDTLTPDXOTF-LLVKDONJSA-N 2 2 213.325 0.326 20 0 BCADLP CCC[C@]1(C)C(=O)NCC[N@@H+]1CCC[NH3+] ZINC000414739039 386321295 /nfs/dbraw/zinc/32/12/95/386321295.db2.gz IRZRDTLTPDXOTF-LLVKDONJSA-N 2 2 213.325 0.326 20 0 BCADLP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414902068 386323382 /nfs/dbraw/zinc/32/33/82/386323382.db2.gz JKXKWTFNKRIZPJ-SRVKXCTJSA-N 3 2 211.353 0.859 20 0 BCADLP C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647885719 386278415 /nfs/dbraw/zinc/27/84/15/386278415.db2.gz JBGXYZYKRASAMB-VWYCJHECSA-N 2 2 248.392 0.349 20 0 BCADLP C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647885719 386278422 /nfs/dbraw/zinc/27/84/22/386278422.db2.gz JBGXYZYKRASAMB-VWYCJHECSA-N 2 2 248.392 0.349 20 0 BCADLP C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647885717 386279339 /nfs/dbraw/zinc/27/93/39/386279339.db2.gz JBGXYZYKRASAMB-MXWKQRLJSA-N 2 2 248.392 0.349 20 0 BCADLP C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647885717 386279344 /nfs/dbraw/zinc/27/93/44/386279344.db2.gz JBGXYZYKRASAMB-MXWKQRLJSA-N 2 2 248.392 0.349 20 0 BCADLP CCC[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000335277582 386343201 /nfs/dbraw/zinc/34/32/01/386343201.db2.gz JPIFEZSAZVBGKN-WDEREUQCSA-N 2 2 208.309 0.557 20 0 BCADLP CCC[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000335277582 386343206 /nfs/dbraw/zinc/34/32/06/386343206.db2.gz JPIFEZSAZVBGKN-WDEREUQCSA-N 2 2 208.309 0.557 20 0 BCADLP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000289692345 386344463 /nfs/dbraw/zinc/34/44/63/386344463.db2.gz BCZXQUVXLTUAHE-MWLCHTKSSA-N 2 2 236.319 0.660 20 0 BCADLP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000335279044 386348546 /nfs/dbraw/zinc/34/85/46/386348546.db2.gz OSOIDVQKMKJLOR-DTWKUNHWSA-N 3 2 219.279 0.183 20 0 BCADLP C[NH+](C)[C@H]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000276584797 386348830 /nfs/dbraw/zinc/34/88/30/386348830.db2.gz MEDOJNGSGRAMDV-FYJFLYSWSA-N 2 2 248.330 0.976 20 0 BCADLP C([NH2+][C@@H]1CCCSC1)[C@H]1C[NH2+]CCO1 ZINC000335268289 386349299 /nfs/dbraw/zinc/34/92/99/386349299.db2.gz OVYUWXIUAFPJPZ-NXEZZACHSA-N 2 2 216.350 0.460 20 0 BCADLP CCC[C@]1(C)C(=O)NCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647989701 386361062 /nfs/dbraw/zinc/36/10/62/386361062.db2.gz YYZPENTVOOFJQT-WCQYABFASA-N 2 2 239.363 0.587 20 0 BCADLP CCC[C@]1(C)C(=O)NCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647989701 386361068 /nfs/dbraw/zinc/36/10/68/386361068.db2.gz YYZPENTVOOFJQT-WCQYABFASA-N 2 2 239.363 0.587 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@H+](CCc2c[nH]nn2)C1 ZINC000647970926 386442272 /nfs/dbraw/zinc/44/22/72/386442272.db2.gz LTNKJZOTHLZYFW-JTQLQIEISA-N 2 2 223.324 0.231 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CCc2c[nH]nn2)C1 ZINC000647970926 386442280 /nfs/dbraw/zinc/44/22/80/386442280.db2.gz LTNKJZOTHLZYFW-JTQLQIEISA-N 2 2 223.324 0.231 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CCc2cn[nH]n2)C1 ZINC000647970926 386442289 /nfs/dbraw/zinc/44/22/89/386442289.db2.gz LTNKJZOTHLZYFW-JTQLQIEISA-N 2 2 223.324 0.231 20 0 BCADLP COC[C@H]1C[N@H+](CCc2c[nH+]cn2C)CCO1 ZINC000290156597 386400265 /nfs/dbraw/zinc/40/02/65/386400265.db2.gz XCSSECXTXZXAPV-GFCCVEGCSA-N 2 2 239.319 0.310 20 0 BCADLP COC[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CCO1 ZINC000290156597 386400269 /nfs/dbraw/zinc/40/02/69/386400269.db2.gz XCSSECXTXZXAPV-GFCCVEGCSA-N 2 2 239.319 0.310 20 0 BCADLP O=C1CCCN1[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000336700558 386401474 /nfs/dbraw/zinc/40/14/74/386401474.db2.gz FRGOJVBPHSDDJA-LBPRGKRZSA-N 2 2 248.330 0.580 20 0 BCADLP O=C1CCCN1[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000336700558 386401479 /nfs/dbraw/zinc/40/14/79/386401479.db2.gz FRGOJVBPHSDDJA-LBPRGKRZSA-N 2 2 248.330 0.580 20 0 BCADLP CCCC(=O)N[C@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000442663898 386413196 /nfs/dbraw/zinc/41/31/96/386413196.db2.gz UTGSIRMTCRJXJV-MNOVXSKESA-N 2 2 227.352 0.714 20 0 BCADLP CCCC(=O)N[C@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000442663898 386413204 /nfs/dbraw/zinc/41/32/04/386413204.db2.gz UTGSIRMTCRJXJV-MNOVXSKESA-N 2 2 227.352 0.714 20 0 BCADLP C[C@@H](O)CC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000336710241 386426126 /nfs/dbraw/zinc/42/61/26/386426126.db2.gz KSGSIFFWWCQQHP-LLVKDONJSA-N 2 2 238.335 0.313 20 0 BCADLP Cc1ccc(C[N@H+](CC[NH3+])CCO)s1 ZINC000414912809 386472455 /nfs/dbraw/zinc/47/24/55/386472455.db2.gz LBZNNCYCUFAUPR-UHFFFAOYSA-N 2 2 214.334 0.810 20 0 BCADLP Cc1ccc(C[N@@H+](CC[NH3+])CCO)s1 ZINC000414912809 386472460 /nfs/dbraw/zinc/47/24/60/386472460.db2.gz LBZNNCYCUFAUPR-UHFFFAOYSA-N 2 2 214.334 0.810 20 0 BCADLP O=C1NCC[C@H]1[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000336315463 386475245 /nfs/dbraw/zinc/47/52/45/386475245.db2.gz LNKBEHVOSNDYAN-LLVKDONJSA-N 2 2 234.303 0.478 20 0 BCADLP O=C1NCC[C@H]1[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000336315463 386475251 /nfs/dbraw/zinc/47/52/51/386475251.db2.gz LNKBEHVOSNDYAN-LLVKDONJSA-N 2 2 234.303 0.478 20 0 BCADLP CN(CC[NH+](C)C)C(=O)CCn1cc[nH+]c1 ZINC000267053213 386488025 /nfs/dbraw/zinc/48/80/25/386488025.db2.gz ADVCYZAXPYCSPP-UHFFFAOYSA-N 2 2 224.308 0.293 20 0 BCADLP Cc1cn[nH]c1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000335449147 386516954 /nfs/dbraw/zinc/51/69/54/386516954.db2.gz VZLBNUHJATURER-ZJUUUORDSA-N 2 2 208.309 0.887 20 0 BCADLP Cc1cn[nH]c1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000335449147 386516959 /nfs/dbraw/zinc/51/69/59/386516959.db2.gz VZLBNUHJATURER-ZJUUUORDSA-N 2 2 208.309 0.887 20 0 BCADLP Cc1c[nH]nc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000335449147 386516963 /nfs/dbraw/zinc/51/69/63/386516963.db2.gz VZLBNUHJATURER-ZJUUUORDSA-N 2 2 208.309 0.887 20 0 BCADLP Cc1c[nH]nc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000335449147 386516964 /nfs/dbraw/zinc/51/69/64/386516964.db2.gz VZLBNUHJATURER-ZJUUUORDSA-N 2 2 208.309 0.887 20 0 BCADLP COC(=O)c1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)o1 ZINC000415038656 386524704 /nfs/dbraw/zinc/52/47/04/386524704.db2.gz OBNYDJDLWNKASM-JZYVYDRUSA-N 2 2 236.271 0.374 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000267291429 386524821 /nfs/dbraw/zinc/52/48/21/386524821.db2.gz XXAFWWVNZPBORA-GFCCVEGCSA-N 2 2 249.358 0.972 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000267291429 386524825 /nfs/dbraw/zinc/52/48/25/386524825.db2.gz XXAFWWVNZPBORA-GFCCVEGCSA-N 2 2 249.358 0.972 20 0 BCADLP Cc1occc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000414437003 386459210 /nfs/dbraw/zinc/45/92/10/386459210.db2.gz TVVPUQCKTWIMNH-LBPRGKRZSA-N 2 2 224.304 0.744 20 0 BCADLP Cc1occc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000414437003 386459214 /nfs/dbraw/zinc/45/92/14/386459214.db2.gz TVVPUQCKTWIMNH-LBPRGKRZSA-N 2 2 224.304 0.744 20 0 BCADLP C[C@H](C(N)=O)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266725244 386466028 /nfs/dbraw/zinc/46/60/28/386466028.db2.gz IHAWLWDOWXBQIK-MRVPVSSYSA-N 2 2 222.292 0.463 20 0 BCADLP CC1(C)C[N@H+](CCN[C@H]2CCC[NH2+]C2)CCO1 ZINC000415077359 386576529 /nfs/dbraw/zinc/57/65/29/386576529.db2.gz DVFDTCAGSWMESJ-LBPRGKRZSA-N 2 2 241.379 0.439 20 0 BCADLP CC1(C)C[N@@H+](CCN[C@H]2CCC[NH2+]C2)CCO1 ZINC000415077359 386576539 /nfs/dbraw/zinc/57/65/39/386576539.db2.gz DVFDTCAGSWMESJ-LBPRGKRZSA-N 2 2 241.379 0.439 20 0 BCADLP CC1(C)CN(CC[NH2+][C@H]2CCC[NH2+]C2)CCO1 ZINC000415077359 386576544 /nfs/dbraw/zinc/57/65/44/386576544.db2.gz DVFDTCAGSWMESJ-LBPRGKRZSA-N 2 2 241.379 0.439 20 0 BCADLP CO[C@]1(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CCOC1 ZINC000336757000 386577114 /nfs/dbraw/zinc/57/71/14/386577114.db2.gz HJUZWUJNIQYMQP-TUAOUCFPSA-N 2 2 228.336 0.332 20 0 BCADLP CO[C@]1(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CCOC1 ZINC000336757000 386577119 /nfs/dbraw/zinc/57/71/19/386577119.db2.gz HJUZWUJNIQYMQP-TUAOUCFPSA-N 2 2 228.336 0.332 20 0 BCADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000335413025 386578034 /nfs/dbraw/zinc/57/80/34/386578034.db2.gz SJZCBQMVOKYWOQ-QWRGUYRKSA-N 2 2 239.363 0.727 20 0 BCADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000335413025 386578037 /nfs/dbraw/zinc/57/80/37/386578037.db2.gz SJZCBQMVOKYWOQ-QWRGUYRKSA-N 2 2 239.363 0.727 20 0 BCADLP COC(=O)c1ccc(C[NH2+][C@H](C[NH3+])C2CC2)o1 ZINC000414799483 386592886 /nfs/dbraw/zinc/59/28/86/386592886.db2.gz JYCXZLXSASKKKE-SNVBAGLBSA-N 2 2 238.287 0.893 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000267893706 386594720 /nfs/dbraw/zinc/59/47/20/386594720.db2.gz VKSJMHJTLXGVLZ-JTQLQIEISA-N 2 2 222.292 0.429 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000267893706 386594723 /nfs/dbraw/zinc/59/47/23/386594723.db2.gz VKSJMHJTLXGVLZ-JTQLQIEISA-N 2 2 222.292 0.429 20 0 BCADLP CN(C)c1ncc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cn1 ZINC000415045208 386531554 /nfs/dbraw/zinc/53/15/54/386531554.db2.gz SZNZGENYEJILHJ-LLVKDONJSA-N 2 2 249.362 0.773 20 0 BCADLP C[C@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000278499834 386536670 /nfs/dbraw/zinc/53/66/70/386536670.db2.gz ABTHFXHBKKDUDL-VIFPVBQESA-N 2 2 209.293 0.970 20 0 BCADLP Cc1cc(CNC(=O)[C@H]2CC[NH2+]2)cc(C)[nH+]1 ZINC000335459693 386538625 /nfs/dbraw/zinc/53/86/25/386538625.db2.gz BFNQPJXRFBHULZ-LLVKDONJSA-N 2 2 219.288 0.677 20 0 BCADLP Cn1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1=O ZINC000647974560 386546555 /nfs/dbraw/zinc/54/65/55/386546555.db2.gz LBRYESQNKRGXAY-OLZOCXBDSA-N 2 2 247.342 0.569 20 0 BCADLP Cn1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1=O ZINC000647974560 386546560 /nfs/dbraw/zinc/54/65/60/386546560.db2.gz LBRYESQNKRGXAY-OLZOCXBDSA-N 2 2 247.342 0.569 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCN1CCOCC1 ZINC000063196024 386553041 /nfs/dbraw/zinc/55/30/41/386553041.db2.gz QLDZJGCITVNLNU-QWHCGFSZSA-N 2 2 241.379 0.520 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCN1CCOCC1 ZINC000063196024 386553045 /nfs/dbraw/zinc/55/30/45/386553045.db2.gz QLDZJGCITVNLNU-QWHCGFSZSA-N 2 2 241.379 0.520 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCCCN1CC[NH+]1CCOCC1 ZINC000063196024 386553046 /nfs/dbraw/zinc/55/30/46/386553046.db2.gz QLDZJGCITVNLNU-QWHCGFSZSA-N 2 2 241.379 0.520 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CC(=O)N1CCCC1 ZINC000063195949 386553054 /nfs/dbraw/zinc/55/30/54/386553054.db2.gz CWJPNCCFKJAXLZ-NEPJUHHUSA-N 2 2 239.363 0.811 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CC(=O)N1CCCC1 ZINC000063195949 386553057 /nfs/dbraw/zinc/55/30/57/386553057.db2.gz CWJPNCCFKJAXLZ-NEPJUHHUSA-N 2 2 239.363 0.811 20 0 BCADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)[C@H]1CCOC1 ZINC000336756454 386566056 /nfs/dbraw/zinc/56/60/56/386566056.db2.gz JKQCCHBYZZFHHK-RHYQMDGZSA-N 2 2 212.337 0.951 20 0 BCADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)[C@H]1CCOC1 ZINC000336756454 386566062 /nfs/dbraw/zinc/56/60/62/386566062.db2.gz JKQCCHBYZZFHHK-RHYQMDGZSA-N 2 2 212.337 0.951 20 0 BCADLP CC(C)C[C@H]([NH3+])C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414795114 386573427 /nfs/dbraw/zinc/57/34/27/386573427.db2.gz MMKAHDWCGQIHJE-WDEREUQCSA-N 3 2 201.358 0.933 20 0 BCADLP CCn1cc[nH+]c1CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000414924217 386620157 /nfs/dbraw/zinc/62/01/57/386620157.db2.gz ILMQUQONWFDACW-GHMZBOCLSA-N 2 2 222.336 0.991 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)C1(CO)CCC1 ZINC000292131808 386622888 /nfs/dbraw/zinc/62/28/88/386622888.db2.gz LHVXWCCVOUURQU-UHFFFAOYSA-N 2 2 209.293 0.730 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)C1(CO)CCC1 ZINC000292131808 386622896 /nfs/dbraw/zinc/62/28/96/386622896.db2.gz LHVXWCCVOUURQU-UHFFFAOYSA-N 2 2 209.293 0.730 20 0 BCADLP C[NH2+]CCC[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000415123673 386626855 /nfs/dbraw/zinc/62/68/55/386626855.db2.gz AZHXITSCYKJWGF-UHFFFAOYSA-N 2 2 237.351 0.584 20 0 BCADLP C[NH2+]CCC[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000415123673 386626863 /nfs/dbraw/zinc/62/68/63/386626863.db2.gz AZHXITSCYKJWGF-UHFFFAOYSA-N 2 2 237.351 0.584 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414925113 386628565 /nfs/dbraw/zinc/62/85/65/386628565.db2.gz JHHPLGLIROHMOZ-UTUOFQBUSA-N 3 2 211.353 0.716 20 0 BCADLP C[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000415138970 386633396 /nfs/dbraw/zinc/63/33/96/386633396.db2.gz ZJULGMKNBGSMDW-AGIUHOORSA-N 3 2 225.380 0.903 20 0 BCADLP C[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000415138970 386633399 /nfs/dbraw/zinc/63/33/99/386633399.db2.gz ZJULGMKNBGSMDW-AGIUHOORSA-N 3 2 225.380 0.903 20 0 BCADLP Cn1nncc1C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000329261554 386645179 /nfs/dbraw/zinc/64/51/79/386645179.db2.gz FVCVVYGTNDNYOZ-JTQLQIEISA-N 2 2 246.318 0.679 20 0 BCADLP CCOc1cccc(C[NH2+][C@H](C)C[NH3+])n1 ZINC000414923162 386606211 /nfs/dbraw/zinc/60/62/11/386606211.db2.gz DISMRCHTBWVDQO-SECBINFHSA-N 2 2 209.293 0.917 20 0 BCADLP CC[C@H](COC)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000414926285 386661884 /nfs/dbraw/zinc/66/18/84/386661884.db2.gz KTQVJYYAQCQOQA-MXWKQRLJSA-N 2 2 200.326 0.999 20 0 BCADLP Cn1cc[nH+]c1CN1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000335528196 386672524 /nfs/dbraw/zinc/67/25/24/386672524.db2.gz CEVMJFRBIBVRJS-NWDGAFQWSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc[nH+]c1CN1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000335528196 386672526 /nfs/dbraw/zinc/67/25/26/386672526.db2.gz CEVMJFRBIBVRJS-NWDGAFQWSA-N 2 2 234.347 0.946 20 0 BCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)C[NH+](C)C ZINC000292353511 386656638 /nfs/dbraw/zinc/65/66/38/386656638.db2.gz LDNXUKKILQBAFY-NSHDSACASA-N 2 2 238.335 0.587 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)c[nH+]1 ZINC000335481731 386710316 /nfs/dbraw/zinc/71/03/16/386710316.db2.gz YTKYLNOEDUORCR-APPZFPTMSA-N 2 2 222.292 0.588 20 0 BCADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ncn(C)n1 ZINC000391880259 386693430 /nfs/dbraw/zinc/69/34/30/386693430.db2.gz VROPFDHRWIMIIT-IVZWLZJFSA-N 2 2 223.324 0.736 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337278203 386698389 /nfs/dbraw/zinc/69/83/89/386698389.db2.gz SKMJEEUPPSPEEF-GFCCVEGCSA-N 2 2 241.379 0.881 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337278203 386698396 /nfs/dbraw/zinc/69/83/96/386698396.db2.gz SKMJEEUPPSPEEF-GFCCVEGCSA-N 2 2 241.379 0.881 20 0 BCADLP CC(C)[C@](C)(O)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336760243 386706322 /nfs/dbraw/zinc/70/63/22/386706322.db2.gz MCFLYINSBCRBFP-GRYCIOLGSA-N 2 2 214.353 0.933 20 0 BCADLP CC(C)[C@](C)(O)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336760243 386706325 /nfs/dbraw/zinc/70/63/25/386706325.db2.gz MCFLYINSBCRBFP-GRYCIOLGSA-N 2 2 214.353 0.933 20 0 BCADLP [NH3+]CCCC(=O)NCCNc1cccc[nH+]1 ZINC000645332440 386732878 /nfs/dbraw/zinc/73/28/78/386732878.db2.gz WENIXIUKSMQCAB-UHFFFAOYSA-N 2 2 222.292 0.349 20 0 BCADLP COC[C@@H](CO)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000279802159 386738096 /nfs/dbraw/zinc/73/80/96/386738096.db2.gz NOXMXKQSCAROCU-LLVKDONJSA-N 2 2 249.314 0.740 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414928152 386716214 /nfs/dbraw/zinc/71/62/14/386716214.db2.gz MOVPDGRSCAQHHN-GMTAPVOTSA-N 2 2 227.352 0.441 20 0 BCADLP [NH3+]CCOCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000357102945 386716528 /nfs/dbraw/zinc/71/65/28/386716528.db2.gz JKBUZJJBJWZNDD-UHFFFAOYSA-N 3 2 238.335 0.564 20 0 BCADLP CC(C)Cn1cc(C[NH2+][C@H](C)C[NH3+])cn1 ZINC000414928815 386724345 /nfs/dbraw/zinc/72/43/45/386724345.db2.gz NFNOWPDIDUNACP-SNVBAGLBSA-N 2 2 210.325 0.976 20 0 BCADLP COC(=O)c1ccc(C[NH2+][C@H](C)C[NH3+])cc1 ZINC000414929961 386744633 /nfs/dbraw/zinc/74/46/33/386744633.db2.gz OOAXOJISLIWLME-SECBINFHSA-N 2 2 222.288 0.910 20 0 BCADLP CCNC(=O)C(C)(C)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000344846838 386762426 /nfs/dbraw/zinc/76/24/26/386762426.db2.gz FYRWUEVWKMMRMA-GHMZBOCLSA-N 2 2 241.379 0.688 20 0 BCADLP CCNC(=O)C(C)(C)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000344846838 386762430 /nfs/dbraw/zinc/76/24/30/386762430.db2.gz FYRWUEVWKMMRMA-GHMZBOCLSA-N 2 2 241.379 0.688 20 0 BCADLP Cn1nncc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348865301 386762662 /nfs/dbraw/zinc/76/26/62/386762662.db2.gz DHGYOAMFRNPFBH-FOSCPWQOSA-N 2 2 249.362 0.872 20 0 BCADLP Cn1nncc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348865301 386762669 /nfs/dbraw/zinc/76/26/69/386762669.db2.gz DHGYOAMFRNPFBH-FOSCPWQOSA-N 2 2 249.362 0.872 20 0 BCADLP Cn1nncc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348865301 386762671 /nfs/dbraw/zinc/76/26/71/386762671.db2.gz DHGYOAMFRNPFBH-FOSCPWQOSA-N 2 2 249.362 0.872 20 0 BCADLP Cn1nncc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348865301 386762678 /nfs/dbraw/zinc/76/26/78/386762678.db2.gz DHGYOAMFRNPFBH-FOSCPWQOSA-N 2 2 249.362 0.872 20 0 BCADLP CC[C@H]([NH3+])C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000269253970 386768271 /nfs/dbraw/zinc/76/82/71/386768271.db2.gz QZDWBUFCSBTTMS-NSHDSACASA-N 2 2 246.314 0.996 20 0 BCADLP COC[C@@]1(C[NH2+]Cc2ccncc2)CCC[NH2+]1 ZINC000414935622 386812110 /nfs/dbraw/zinc/81/21/10/386812110.db2.gz BCZIOAKJQMADIW-ZDUSSCGKSA-N 2 2 235.331 0.940 20 0 BCADLP CN(C)c1cc[nH+]c(NCc2c[nH+]cn2C)n1 ZINC000357609491 386814453 /nfs/dbraw/zinc/81/44/53/386814453.db2.gz WEWPTLIFNMSMDD-UHFFFAOYSA-N 2 2 232.291 0.888 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414935767 386815929 /nfs/dbraw/zinc/81/59/29/386815929.db2.gz UQOUWXNSYUPDGJ-UTUOFQBUSA-N 3 2 211.353 0.574 20 0 BCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000414937346 386846794 /nfs/dbraw/zinc/84/67/94/386846794.db2.gz VMSBCZOJHXSBLZ-VWYCJHECSA-N 2 2 248.392 0.397 20 0 BCADLP C[NH+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000330707190 386860133 /nfs/dbraw/zinc/86/01/33/386860133.db2.gz MJEJEEXAYZPDSZ-LLVKDONJSA-N 2 2 236.319 0.505 20 0 BCADLP C[NH+](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000330707190 386860137 /nfs/dbraw/zinc/86/01/37/386860137.db2.gz MJEJEEXAYZPDSZ-LLVKDONJSA-N 2 2 236.319 0.505 20 0 BCADLP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC1([NH3+])CCC1 ZINC000331511616 386863825 /nfs/dbraw/zinc/86/38/25/386863825.db2.gz BKBAFQSWJFWZHG-QWRGUYRKSA-N 3 2 211.353 0.988 20 0 BCADLP C[C@H]1C[C@H](C[N@H+]2CC(=O)N(C3CC3)C2)CC[NH2+]1 ZINC000334833868 386871955 /nfs/dbraw/zinc/87/19/55/386871955.db2.gz UHENWRBLNGKTSK-WDEREUQCSA-N 2 2 237.347 0.639 20 0 BCADLP C[C@H]1C[C@H](C[N@@H+]2CC(=O)N(C3CC3)C2)CC[NH2+]1 ZINC000334833868 386871957 /nfs/dbraw/zinc/87/19/57/386871957.db2.gz UHENWRBLNGKTSK-WDEREUQCSA-N 2 2 237.347 0.639 20 0 BCADLP CC[N@H+](CCO)CCNCc1[nH+]cc(C)n1C ZINC000341267160 386873393 /nfs/dbraw/zinc/87/33/93/386873393.db2.gz XQOJLNFJPUFYDK-UHFFFAOYSA-N 2 2 240.351 0.132 20 0 BCADLP CC[N@@H+](CCO)CCNCc1[nH+]cc(C)n1C ZINC000341267160 386873396 /nfs/dbraw/zinc/87/33/96/386873396.db2.gz XQOJLNFJPUFYDK-UHFFFAOYSA-N 2 2 240.351 0.132 20 0 BCADLP CN(C)c1cc[nH+]c(N(C)CC[NH+](C)C)n1 ZINC000301786468 386877086 /nfs/dbraw/zinc/87/70/86/386877086.db2.gz VHJLELXZRTYRTL-UHFFFAOYSA-N 2 2 223.324 0.540 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000334861635 386915730 /nfs/dbraw/zinc/91/57/30/386915730.db2.gz DSHZGEMVJBJBEG-ONGXEEELSA-N 2 2 208.309 0.508 20 0 BCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccn1 ZINC000358226328 386915782 /nfs/dbraw/zinc/91/57/82/386915782.db2.gz DHXOEJSBVMDHCC-WCQYABFASA-N 2 2 235.331 0.799 20 0 BCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccn1 ZINC000358226328 386915788 /nfs/dbraw/zinc/91/57/88/386915788.db2.gz DHXOEJSBVMDHCC-WCQYABFASA-N 2 2 235.331 0.799 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cnc(N(C)C)nc1 ZINC000414942277 386901162 /nfs/dbraw/zinc/90/11/62/386901162.db2.gz ZOSSJFMKRWPNJS-CMPLNLGQSA-N 2 2 249.362 0.630 20 0 BCADLP Cc1n[nH]c(C)c1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358175930 386906588 /nfs/dbraw/zinc/90/65/88/386906588.db2.gz VNUYCNXSDCSRHZ-GFCCVEGCSA-N 2 2 238.335 0.183 20 0 BCADLP Cc1n[nH]c(C)c1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358175930 386906593 /nfs/dbraw/zinc/90/65/93/386906593.db2.gz VNUYCNXSDCSRHZ-GFCCVEGCSA-N 2 2 238.335 0.183 20 0 BCADLP [NH3+]C1CCC(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000335765912 386908071 /nfs/dbraw/zinc/90/80/71/386908071.db2.gz OHKANWXXSPQUMM-HACHORDNSA-N 2 2 247.289 0.370 20 0 BCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccncc1 ZINC000358264134 386923075 /nfs/dbraw/zinc/92/30/75/386923075.db2.gz YJBOPYNPNHCHFC-WCQYABFASA-N 2 2 235.331 0.799 20 0 BCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccncc1 ZINC000358264134 386923077 /nfs/dbraw/zinc/92/30/77/386923077.db2.gz YJBOPYNPNHCHFC-WCQYABFASA-N 2 2 235.331 0.799 20 0 BCADLP Cc1csc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)n1 ZINC000336762358 386931656 /nfs/dbraw/zinc/93/16/56/386931656.db2.gz LFGFLYRZKPKPQF-LLVKDONJSA-N 2 2 241.360 0.608 20 0 BCADLP Cc1csc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)n1 ZINC000336762358 386931661 /nfs/dbraw/zinc/93/16/61/386931661.db2.gz LFGFLYRZKPKPQF-LLVKDONJSA-N 2 2 241.360 0.608 20 0 BCADLP c1cn(CCC[N@@H+]2CCO[C@@H]3C[C@@H]32)c[nH+]1 ZINC000368330540 386959929 /nfs/dbraw/zinc/95/99/29/386959929.db2.gz MDEVRFJZLNBAPG-WDEREUQCSA-N 2 2 207.277 0.746 20 0 BCADLP c1cn(CCC[N@H+]2CCO[C@@H]3C[C@@H]32)c[nH+]1 ZINC000368330540 386959933 /nfs/dbraw/zinc/95/99/33/386959933.db2.gz MDEVRFJZLNBAPG-WDEREUQCSA-N 2 2 207.277 0.746 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+](CCc2c[nH]nn2)C1 ZINC000647966442 387005740 /nfs/dbraw/zinc/00/57/40/387005740.db2.gz SRKKWMHCMIEQMZ-LLVKDONJSA-N 2 2 237.351 0.621 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2c[nH]nn2)C1 ZINC000647966442 387005747 /nfs/dbraw/zinc/00/57/47/387005747.db2.gz SRKKWMHCMIEQMZ-LLVKDONJSA-N 2 2 237.351 0.621 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+](CCc2c[nH]nn2)C1 ZINC000647966442 387005751 /nfs/dbraw/zinc/00/57/51/387005751.db2.gz SRKKWMHCMIEQMZ-LLVKDONJSA-N 2 2 237.351 0.621 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2c[nH]nn2)C1 ZINC000647966442 387005754 /nfs/dbraw/zinc/00/57/54/387005754.db2.gz SRKKWMHCMIEQMZ-LLVKDONJSA-N 2 2 237.351 0.621 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+](CCc2cn[nH]n2)C1 ZINC000647966442 387005758 /nfs/dbraw/zinc/00/57/58/387005758.db2.gz SRKKWMHCMIEQMZ-LLVKDONJSA-N 2 2 237.351 0.621 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2cn[nH]n2)C1 ZINC000647966442 387005762 /nfs/dbraw/zinc/00/57/62/387005762.db2.gz SRKKWMHCMIEQMZ-LLVKDONJSA-N 2 2 237.351 0.621 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+](CCc2cn[nH]n2)C1 ZINC000647966442 387005768 /nfs/dbraw/zinc/00/57/68/387005768.db2.gz SRKKWMHCMIEQMZ-LLVKDONJSA-N 2 2 237.351 0.621 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2cn[nH]n2)C1 ZINC000647966442 387005772 /nfs/dbraw/zinc/00/57/72/387005772.db2.gz SRKKWMHCMIEQMZ-LLVKDONJSA-N 2 2 237.351 0.621 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000334820432 386949236 /nfs/dbraw/zinc/94/92/36/386949236.db2.gz HXALCUGPTWUWJH-RKDXNWHRSA-N 2 2 222.292 0.669 20 0 BCADLP CC[C@H](NC[C@@H](O)C[NH+](C)C)c1[nH+]ccn1C ZINC000341696353 386952098 /nfs/dbraw/zinc/95/20/98/386952098.db2.gz DZZVPTIPGXCUTK-MNOVXSKESA-N 2 2 240.351 0.383 20 0 BCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)Nc1ccccc1 ZINC000107577529 387032679 /nfs/dbraw/zinc/03/26/79/387032679.db2.gz JKCZVETUTORQMF-TXEJJXNPSA-N 2 2 245.326 0.776 20 0 BCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)Nc1ccccc1 ZINC000107577529 387032682 /nfs/dbraw/zinc/03/26/82/387032682.db2.gz JKCZVETUTORQMF-TXEJJXNPSA-N 2 2 245.326 0.776 20 0 BCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000333463044 387037661 /nfs/dbraw/zinc/03/76/61/387037661.db2.gz GXDDRVLYHLVQBV-WUHRBBMRSA-N 3 2 241.379 0.613 20 0 BCADLP C[NH+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000582998162 387040825 /nfs/dbraw/zinc/04/08/25/387040825.db2.gz HAHXTPQAGSJFBH-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCCC[C@@H]1O ZINC000333784432 387056843 /nfs/dbraw/zinc/05/68/43/387056843.db2.gz FDEHLRBYMNBKLQ-RNJOBUHISA-N 2 2 242.363 0.647 20 0 BCADLP CCOC(=O)CC[N@@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000514603719 387009790 /nfs/dbraw/zinc/00/97/90/387009790.db2.gz ZTQSNRVFRZZXBH-MNOVXSKESA-N 2 2 244.335 0.378 20 0 BCADLP CCOC(=O)CC[N@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000514603719 387009794 /nfs/dbraw/zinc/00/97/94/387009794.db2.gz ZTQSNRVFRZZXBH-MNOVXSKESA-N 2 2 244.335 0.378 20 0 BCADLP O=C1C[C@@]2(CC[N@H+](CCn3cc[nH+]c3)C2)CN1 ZINC000333068505 387016664 /nfs/dbraw/zinc/01/66/64/387016664.db2.gz UNIYRXPNZNAIBR-LBPRGKRZSA-N 2 2 234.303 0.095 20 0 BCADLP O=C1C[C@@]2(CC[N@@H+](CCn3cc[nH+]c3)C2)CN1 ZINC000333068505 387016667 /nfs/dbraw/zinc/01/66/67/387016667.db2.gz UNIYRXPNZNAIBR-LBPRGKRZSA-N 2 2 234.303 0.095 20 0 BCADLP Cn1c[nH+]cc1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368965807 387023185 /nfs/dbraw/zinc/02/31/85/387023185.db2.gz MFFHNUXCWRQXBF-MVWJERBFSA-N 2 2 248.330 0.506 20 0 BCADLP Cn1c[nH+]cc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368965807 387023191 /nfs/dbraw/zinc/02/31/91/387023191.db2.gz MFFHNUXCWRQXBF-MVWJERBFSA-N 2 2 248.330 0.506 20 0 BCADLP COC[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)C1CC1 ZINC000228166715 387078147 /nfs/dbraw/zinc/07/81/47/387078147.db2.gz WBQLMOCULALFHF-QWHCGFSZSA-N 2 2 241.379 0.247 20 0 BCADLP COC[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC000228166715 387078150 /nfs/dbraw/zinc/07/81/50/387078150.db2.gz WBQLMOCULALFHF-QWHCGFSZSA-N 2 2 241.379 0.247 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)CC1CC[NH2+]CC1 ZINC000071276037 387098400 /nfs/dbraw/zinc/09/84/00/387098400.db2.gz GUNBBTTYEQFVDL-UHFFFAOYSA-N 2 2 236.319 0.426 20 0 BCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000336273148 387106505 /nfs/dbraw/zinc/10/65/05/387106505.db2.gz OZYYYHZKEPHSST-GFCCVEGCSA-N 2 2 237.347 0.293 20 0 BCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000336273148 387106507 /nfs/dbraw/zinc/10/65/07/387106507.db2.gz OZYYYHZKEPHSST-GFCCVEGCSA-N 2 2 237.347 0.293 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)c1c[nH+]ccc1N ZINC000127537801 387107366 /nfs/dbraw/zinc/10/73/66/387107366.db2.gz DDLCJZONJNREDQ-SECBINFHSA-N 2 2 245.286 0.679 20 0 BCADLP C[C@@H](C[NH3+])[NH2+]Cc1cccc2c1OCCO2 ZINC000162010415 387108247 /nfs/dbraw/zinc/10/82/47/387108247.db2.gz XQGAYHUWDZYEEF-VIFPVBQESA-N 2 2 222.288 0.895 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H]1CCSC1 ZINC000186579795 387109508 /nfs/dbraw/zinc/10/95/08/387109508.db2.gz WRYJVZDMKKYMDA-JTQLQIEISA-N 2 2 218.366 0.396 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CCSC1 ZINC000186579795 387109512 /nfs/dbraw/zinc/10/95/12/387109512.db2.gz WRYJVZDMKKYMDA-JTQLQIEISA-N 2 2 218.366 0.396 20 0 BCADLP CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000324419745 387114345 /nfs/dbraw/zinc/11/43/45/387114345.db2.gz NATDIVUVCZBUFL-NXEZZACHSA-N 2 2 200.326 0.735 20 0 BCADLP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071147660 387119836 /nfs/dbraw/zinc/11/98/36/387119836.db2.gz FBOJFJNDTFMDOD-NWDGAFQWSA-N 2 2 241.379 0.833 20 0 BCADLP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071147660 387119842 /nfs/dbraw/zinc/11/98/42/387119842.db2.gz FBOJFJNDTFMDOD-NWDGAFQWSA-N 2 2 241.379 0.833 20 0 BCADLP Cc1cc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)n(C)n1 ZINC000335028339 387123070 /nfs/dbraw/zinc/12/30/70/387123070.db2.gz IHCSMLHPPWHTOE-CABZTGNLSA-N 2 2 222.336 0.816 20 0 BCADLP CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000516695768 387145937 /nfs/dbraw/zinc/14/59/37/387145937.db2.gz QPDNPZUYZBIPTB-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000516695768 387145942 /nfs/dbraw/zinc/14/59/42/387145942.db2.gz QPDNPZUYZBIPTB-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP COCC[NH2+]CC[NH2+][C@H](C)[C@@H](C)OC ZINC000423316567 387157757 /nfs/dbraw/zinc/15/77/57/387157757.db2.gz ADIANQBJDIFTBY-NXEZZACHSA-N 2 2 204.314 0.235 20 0 BCADLP COCC[NH2+]CC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000423343409 387193238 /nfs/dbraw/zinc/19/32/38/387193238.db2.gz WFTHNJBYIWLJNB-OUAUKWLOSA-N 2 2 216.325 0.378 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423331648 387176549 /nfs/dbraw/zinc/17/65/49/387176549.db2.gz CQORYPTUMLARAO-RISCZKNCSA-N 3 2 235.375 0.978 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423331648 387176553 /nfs/dbraw/zinc/17/65/53/387176553.db2.gz CQORYPTUMLARAO-RISCZKNCSA-N 3 2 235.375 0.978 20 0 BCADLP C[N@H+](Cc1ccncc1)C1CC[NH+](CCO)CC1 ZINC000353360434 387187433 /nfs/dbraw/zinc/18/74/33/387187433.db2.gz HXTJERKSSXKFBQ-UHFFFAOYSA-N 2 2 249.358 0.970 20 0 BCADLP C[N@@H+](Cc1ccncc1)C1CC[NH+](CCO)CC1 ZINC000353360434 387187437 /nfs/dbraw/zinc/18/74/37/387187437.db2.gz HXTJERKSSXKFBQ-UHFFFAOYSA-N 2 2 249.358 0.970 20 0 BCADLP C[NH2+]CCCN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062973802 387190669 /nfs/dbraw/zinc/19/06/69/387190669.db2.gz AKERNQVAZZFHDL-GFCCVEGCSA-N 2 2 227.352 0.002 20 0 BCADLP CC[C@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000353405608 387194193 /nfs/dbraw/zinc/19/41/93/387194193.db2.gz VYBRZFYJBABHMW-VXGBXAGGSA-N 2 2 237.351 0.741 20 0 BCADLP CC[C@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000353405608 387194199 /nfs/dbraw/zinc/19/41/99/387194199.db2.gz VYBRZFYJBABHMW-VXGBXAGGSA-N 2 2 237.351 0.741 20 0 BCADLP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000423352262 387204070 /nfs/dbraw/zinc/20/40/70/387204070.db2.gz AENIPDFTCZXPMM-TUAOUCFPSA-N 3 2 211.353 0.859 20 0 BCADLP COC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)OC ZINC000300418566 387209944 /nfs/dbraw/zinc/20/99/44/387209944.db2.gz WNIHNXUDWYVNIK-LOWVWBTDSA-N 2 2 242.363 0.863 20 0 BCADLP COC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)OC ZINC000300418566 387209946 /nfs/dbraw/zinc/20/99/46/387209946.db2.gz WNIHNXUDWYVNIK-LOWVWBTDSA-N 2 2 242.363 0.863 20 0 BCADLP CC(C)[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000571992283 387217371 /nfs/dbraw/zinc/21/73/71/387217371.db2.gz CUEQYHWXBBGIGU-RYUDHWBXSA-N 2 2 212.337 0.999 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423367889 387220013 /nfs/dbraw/zinc/22/00/13/387220013.db2.gz ROMDDMUGDPKCAU-UKKRHICBSA-N 2 2 200.326 0.997 20 0 BCADLP Cc1cn2c([nH+]1)CN(C(=O)/C=C/C[NH+](C)C)CC2 ZINC000371736302 387245341 /nfs/dbraw/zinc/24/53/41/387245341.db2.gz OBGFYCZIARZRBL-SNAWJCMRSA-N 2 2 248.330 0.652 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccco1 ZINC000423466943 387315846 /nfs/dbraw/zinc/31/58/46/387315846.db2.gz ABHQNGKCAPTIDQ-GHMZBOCLSA-N 2 2 223.320 0.834 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000423374844 387254595 /nfs/dbraw/zinc/25/45/95/387254595.db2.gz TZJPVGXUNAJLLP-RHYQMDGZSA-N 3 2 211.353 0.844 20 0 BCADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423393903 387278252 /nfs/dbraw/zinc/27/82/52/387278252.db2.gz ROLDASGNJPYMMW-TUAOUCFPSA-N 3 2 213.369 0.962 20 0 BCADLP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000302361511 387280948 /nfs/dbraw/zinc/28/09/48/387280948.db2.gz GRZRNFAEHWNQMP-NWDGAFQWSA-N 2 2 243.395 0.635 20 0 BCADLP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000302361511 387280952 /nfs/dbraw/zinc/28/09/52/387280952.db2.gz GRZRNFAEHWNQMP-NWDGAFQWSA-N 2 2 243.395 0.635 20 0 BCADLP [NH3+][C@@H]1CCC[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000514790873 387292943 /nfs/dbraw/zinc/29/29/43/387292943.db2.gz WBZFYUFQJRFXMZ-VXGBXAGGSA-N 2 2 228.336 0.605 20 0 BCADLP [NH3+][C@@H]1CCC[N@@H+](CCOC[C@H]2CCCO2)C1 ZINC000514790873 387292955 /nfs/dbraw/zinc/29/29/55/387292955.db2.gz WBZFYUFQJRFXMZ-VXGBXAGGSA-N 2 2 228.336 0.605 20 0 BCADLP COC[C@@H](C)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000648647451 387295338 /nfs/dbraw/zinc/29/53/38/387295338.db2.gz IZZGWOWCVGABKO-STQMWFEESA-N 2 2 244.379 0.705 20 0 BCADLP COC[C@@H](C)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000648647451 387295342 /nfs/dbraw/zinc/29/53/42/387295342.db2.gz IZZGWOWCVGABKO-STQMWFEESA-N 2 2 244.379 0.705 20 0 BCADLP C[NH2+]C[C@H](C)CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000514857426 387296613 /nfs/dbraw/zinc/29/66/13/387296613.db2.gz PDLAWBWBHCLHGA-CBAPKCEASA-N 2 2 242.348 0.115 20 0 BCADLP CCC(=O)N1CCC[N@H+](CCC[NH2+]C)CC1 ZINC000515384686 387373038 /nfs/dbraw/zinc/37/30/38/387373038.db2.gz UEOFKIODIYZVBX-UHFFFAOYSA-N 2 2 227.352 0.540 20 0 BCADLP CCC(=O)N1CCC[N@@H+](CCC[NH2+]C)CC1 ZINC000515384686 387373044 /nfs/dbraw/zinc/37/30/44/387373044.db2.gz UEOFKIODIYZVBX-UHFFFAOYSA-N 2 2 227.352 0.540 20 0 BCADLP O=C1OCC[C@H]2CC[N@H+](CCn3cc[nH+]c3)[C@H]12 ZINC000373449275 387373488 /nfs/dbraw/zinc/37/34/88/387373488.db2.gz UJGSZCCPSDJXNS-MNOVXSKESA-N 2 2 235.287 0.521 20 0 BCADLP O=C1OCC[C@H]2CC[N@@H+](CCn3cc[nH+]c3)[C@H]12 ZINC000373449275 387373490 /nfs/dbraw/zinc/37/34/90/387373490.db2.gz UJGSZCCPSDJXNS-MNOVXSKESA-N 2 2 235.287 0.521 20 0 BCADLP C[C@H]([NH2+]CCC[NH2+]C1CC1)[C@H]1CCC[NH2+]1 ZINC000423555955 387375000 /nfs/dbraw/zinc/37/50/00/387375000.db2.gz MEAROCJILNVBDF-CMPLNLGQSA-N 3 2 211.353 0.859 20 0 BCADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423580205 387381984 /nfs/dbraw/zinc/38/19/84/387381984.db2.gz XJCLKXOPGBUIGQ-XQQFMLRXSA-N 2 2 242.363 0.770 20 0 BCADLP Cc1[nH]c(C(=O)NCC[C@H]2CCC[NH2+]2)c[nH+]1 ZINC000423585799 387383038 /nfs/dbraw/zinc/38/30/38/387383038.db2.gz XJYOFAIMBHBQSG-SECBINFHSA-N 2 2 222.292 0.590 20 0 BCADLP CC(=O)NCCC[NH2+]Cc1c[nH+]c(C)n1C ZINC000515171248 387343234 /nfs/dbraw/zinc/34/32/34/387343234.db2.gz MHDKIHSFBIAQJF-UHFFFAOYSA-N 2 2 224.308 0.344 20 0 BCADLP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423580204 387383421 /nfs/dbraw/zinc/38/34/21/387383421.db2.gz XJCLKXOPGBUIGQ-RWMBFGLXSA-N 2 2 242.363 0.770 20 0 BCADLP C[C@H](O)CCC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000354902841 387444011 /nfs/dbraw/zinc/44/40/11/387444011.db2.gz XOJOQPLDFRAFMJ-LBPRGKRZSA-N 2 2 244.379 0.536 20 0 BCADLP C[C@H](O)CCC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000354902841 387444014 /nfs/dbraw/zinc/44/40/14/387444014.db2.gz XOJOQPLDFRAFMJ-LBPRGKRZSA-N 2 2 244.379 0.536 20 0 BCADLP COC[C@H](O)C[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000304282912 387456737 /nfs/dbraw/zinc/45/67/37/387456737.db2.gz HTAIXZLGWCBHPD-GFCCVEGCSA-N 2 2 249.314 0.740 20 0 BCADLP COC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)C1CC1 ZINC000313251169 387404433 /nfs/dbraw/zinc/40/44/33/387404433.db2.gz IOKUJZDDWWRDNZ-GFCCVEGCSA-N 2 2 223.320 0.977 20 0 BCADLP COC(=O)CC[N@H+](C[C@@H](C)[NH3+])C[C@H]1CCCO1 ZINC000515649561 387414027 /nfs/dbraw/zinc/41/40/27/387414027.db2.gz FXTDJBIWDFUTQM-GHMZBOCLSA-N 2 2 244.335 0.378 20 0 BCADLP COC(=O)CC[N@@H+](C[C@@H](C)[NH3+])C[C@H]1CCCO1 ZINC000515649561 387414028 /nfs/dbraw/zinc/41/40/28/387414028.db2.gz FXTDJBIWDFUTQM-GHMZBOCLSA-N 2 2 244.335 0.378 20 0 BCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N(C)C ZINC000515649935 387414366 /nfs/dbraw/zinc/41/43/66/387414366.db2.gz RNBAVBLSYIBYOV-JTQLQIEISA-N 2 2 201.314 0.038 20 0 BCADLP C[NH+](C)C1(CNC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000516312719 387493680 /nfs/dbraw/zinc/49/36/80/387493680.db2.gz IQFIQEBYRHEAJG-UHFFFAOYSA-N 2 2 239.363 0.539 20 0 BCADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)[C@@H]1CCC[NH2+]1 ZINC000643474901 387496678 /nfs/dbraw/zinc/49/66/78/387496678.db2.gz MDAMZZNTSZATSU-CYDGBPFRSA-N 2 2 241.379 0.436 20 0 BCADLP CC(C)COC[C@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000042541241 387509433 /nfs/dbraw/zinc/50/94/33/387509433.db2.gz ZFROQFRDTPUSHE-GFCCVEGCSA-N 2 2 241.335 0.506 20 0 BCADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]CC1(C)COC1 ZINC000352747660 387472072 /nfs/dbraw/zinc/47/20/72/387472072.db2.gz FRIXXPTWVNYROU-LBPRGKRZSA-N 2 2 242.363 0.723 20 0 BCADLP CCN(C)C(=O)[C@@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000516315154 387491944 /nfs/dbraw/zinc/49/19/44/387491944.db2.gz IJMTZQUQQFNANG-SECBINFHSA-N 2 2 238.335 0.685 20 0 BCADLP COCC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000336715050 387580109 /nfs/dbraw/zinc/58/01/09/387580109.db2.gz SLWWBPTZUZAWAM-IJLUTSLNSA-N 2 2 242.363 0.599 20 0 BCADLP COCC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000336715050 387580114 /nfs/dbraw/zinc/58/01/14/387580114.db2.gz SLWWBPTZUZAWAM-IJLUTSLNSA-N 2 2 242.363 0.599 20 0 BCADLP CCn1cccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c1=O ZINC000433052308 387592025 /nfs/dbraw/zinc/59/20/25/387592025.db2.gz KVULBHSTPYMCRS-WCQYABFASA-N 2 2 249.358 0.908 20 0 BCADLP CCn1cccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c1=O ZINC000433052308 387592031 /nfs/dbraw/zinc/59/20/31/387592031.db2.gz KVULBHSTPYMCRS-WCQYABFASA-N 2 2 249.358 0.908 20 0 BCADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]CC1(F)CC1 ZINC000527518435 387594231 /nfs/dbraw/zinc/59/42/31/387594231.db2.gz DPFWFXVNWBLSNF-SNVBAGLBSA-N 2 2 243.326 0.418 20 0 BCADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]CC1(F)CC1 ZINC000527518435 387594233 /nfs/dbraw/zinc/59/42/33/387594233.db2.gz DPFWFXVNWBLSNF-SNVBAGLBSA-N 2 2 243.326 0.418 20 0 BCADLP Cc1cc(CNC(=O)N2CC[NH2+]CC2)cc(C)[nH+]1 ZINC000422612570 387607810 /nfs/dbraw/zinc/60/78/10/387607810.db2.gz UYPWJVPJYZTDNP-UHFFFAOYSA-N 2 2 248.330 0.813 20 0 BCADLP CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422708575 387623517 /nfs/dbraw/zinc/62/35/17/387623517.db2.gz JGLLISICEUFOSN-WUHRBBMRSA-N 2 2 244.379 0.750 20 0 BCADLP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422709686 387623928 /nfs/dbraw/zinc/62/39/28/387623928.db2.gz ZOXWFIXGRLLFOT-GRYCIOLGSA-N 2 2 241.379 0.879 20 0 BCADLP CC[C@H](C)[C@H](O)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000422708569 387624147 /nfs/dbraw/zinc/62/41/47/387624147.db2.gz JGLLISICEUFOSN-QNWHQSFQSA-N 2 2 244.379 0.750 20 0 BCADLP CCCCNC(=O)[C@@H](C)[NH+]1CCC([NH2+]C)CC1 ZINC000037536911 387564544 /nfs/dbraw/zinc/56/45/44/387564544.db2.gz KUJVZJLXRWUOIE-LLVKDONJSA-N 2 2 241.379 0.975 20 0 BCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccncc1 ZINC000037889166 387567197 /nfs/dbraw/zinc/56/71/97/387567197.db2.gz ZLEUIBUOCKWFFF-CMPLNLGQSA-N 2 2 223.320 0.655 20 0 BCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccnc1 ZINC000037889091 387567256 /nfs/dbraw/zinc/56/72/56/387567256.db2.gz ZUUOCBFUDYMENO-PWSUYJOCSA-N 2 2 223.320 0.655 20 0 BCADLP C[C@](C[NH3+])(NCCC[NH+]1CCOCC1)C1CC1 ZINC000430583135 387630998 /nfs/dbraw/zinc/63/09/98/387630998.db2.gz MEUAINKKWDURFJ-CYBMUJFWSA-N 2 2 241.379 0.426 20 0 BCADLP CC[N@H+](C)CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422718187 387631010 /nfs/dbraw/zinc/63/10/10/387631010.db2.gz PGTNJPUUJBFXEP-VXGBXAGGSA-N 3 2 213.369 0.916 20 0 BCADLP CC[N@@H+](C)CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422718187 387631016 /nfs/dbraw/zinc/63/10/16/387631016.db2.gz PGTNJPUUJBFXEP-VXGBXAGGSA-N 3 2 213.369 0.916 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430581421 387631330 /nfs/dbraw/zinc/63/13/30/387631330.db2.gz IYYYQCQZONCNJS-GWCFXTLKSA-N 2 2 241.379 0.864 20 0 BCADLP CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430642547 387635813 /nfs/dbraw/zinc/63/58/13/387635813.db2.gz OZBXCODZKHBDRB-LBPRGKRZSA-N 2 2 239.363 0.526 20 0 BCADLP CN(CC1CC1)C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430642547 387635818 /nfs/dbraw/zinc/63/58/18/387635818.db2.gz OZBXCODZKHBDRB-LBPRGKRZSA-N 2 2 239.363 0.526 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCN1CCCC1=O ZINC000430645790 387635917 /nfs/dbraw/zinc/63/59/17/387635917.db2.gz OITBDIDKACMQQB-NWDGAFQWSA-N 2 2 239.363 0.811 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCN1CCCC1=O ZINC000430645790 387635922 /nfs/dbraw/zinc/63/59/22/387635922.db2.gz OITBDIDKACMQQB-NWDGAFQWSA-N 2 2 239.363 0.811 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000422728314 387637459 /nfs/dbraw/zinc/63/74/59/387637459.db2.gz FTORYXIBJNHYEB-NEPJUHHUSA-N 3 2 222.336 0.861 20 0 BCADLP C[C@@H](C[N@@H+]1CCC[C@H](C[NH3+])C1)CS(C)(=O)=O ZINC000430669222 387637561 /nfs/dbraw/zinc/63/75/61/387637561.db2.gz SSQWJFQLNYDBJG-WDEREUQCSA-N 2 2 248.392 0.338 20 0 BCADLP C[C@@H](C[N@H+]1CCC[C@H](C[NH3+])C1)CS(C)(=O)=O ZINC000430669222 387637569 /nfs/dbraw/zinc/63/75/69/387637569.db2.gz SSQWJFQLNYDBJG-WDEREUQCSA-N 2 2 248.392 0.338 20 0 BCADLP COCC[NH2+]CC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000643517181 387640311 /nfs/dbraw/zinc/64/03/11/387640311.db2.gz GEAGVLPCDNVJMY-VXGBXAGGSA-N 2 2 230.352 0.770 20 0 BCADLP C[C@@H]([NH3+])CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000430694711 387640768 /nfs/dbraw/zinc/64/07/68/387640768.db2.gz KZDVMNGCMNMTRO-NXEZZACHSA-N 2 2 224.308 0.373 20 0 BCADLP C[C@@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)[NH+](C)C ZINC000422734821 387643274 /nfs/dbraw/zinc/64/32/74/387643274.db2.gz CZZGNRMMELYPSI-GRYCIOLGSA-N 3 2 213.369 0.914 20 0 BCADLP O=C([C@@H]1CC[NH2+]C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000430771936 387648642 /nfs/dbraw/zinc/64/86/42/387648642.db2.gz HUIXGCBBPYUWHG-LLVKDONJSA-N 2 2 248.330 0.725 20 0 BCADLP O=C([C@@H]1CC[NH2+]C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000430771936 387648650 /nfs/dbraw/zinc/64/86/50/387648650.db2.gz HUIXGCBBPYUWHG-LLVKDONJSA-N 2 2 248.330 0.725 20 0 BCADLP C([NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)[C@@H]1CCCO1 ZINC000422748941 387653595 /nfs/dbraw/zinc/65/35/95/387653595.db2.gz WUIIKNUQFHFSLU-XQQFMLRXSA-N 2 2 240.347 0.522 20 0 BCADLP C[C@H](C[NH2+][C@H](C)CCC[NH3+])C[NH+]1CCOCC1 ZINC000422756098 387659103 /nfs/dbraw/zinc/65/91/03/387659103.db2.gz GFMSKJIOVOVJLH-CHWSQXEVSA-N 3 2 243.395 0.672 20 0 BCADLP Cc1cc(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)cc[nH+]1 ZINC000362799705 387659601 /nfs/dbraw/zinc/65/96/01/387659601.db2.gz WZYBSRNMBDYRFJ-JOYOIKCWSA-N 2 2 233.315 0.948 20 0 BCADLP Cc1cc(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)cc[nH+]1 ZINC000362799705 387659606 /nfs/dbraw/zinc/65/96/06/387659606.db2.gz WZYBSRNMBDYRFJ-JOYOIKCWSA-N 2 2 233.315 0.948 20 0 BCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422758175 387660432 /nfs/dbraw/zinc/66/04/32/387660432.db2.gz NPYYBIWORGQOPP-WOPDTQHZSA-N 3 2 211.353 0.940 20 0 BCADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422758175 387660436 /nfs/dbraw/zinc/66/04/36/387660436.db2.gz NPYYBIWORGQOPP-WOPDTQHZSA-N 3 2 211.353 0.940 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)CCC(=O)NC1CCCC1 ZINC000430970213 387665085 /nfs/dbraw/zinc/66/50/85/387665085.db2.gz GNGPAJYTVYKOHH-JTQLQIEISA-N 2 2 227.352 0.714 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)CCC(=O)NC1CCCC1 ZINC000430970213 387665092 /nfs/dbraw/zinc/66/50/92/387665092.db2.gz GNGPAJYTVYKOHH-JTQLQIEISA-N 2 2 227.352 0.714 20 0 BCADLP Cc1c[nH+]cn1CC(=O)N(C)Cc1[nH+]ccn1C ZINC000527706819 387667573 /nfs/dbraw/zinc/66/75/73/387667573.db2.gz ZWTYZSRDLQDYTO-UHFFFAOYSA-N 2 2 247.302 0.584 20 0 BCADLP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000422769080 387668165 /nfs/dbraw/zinc/66/81/65/387668165.db2.gz SQOXGHWFWHRXES-RWMBFGLXSA-N 3 2 243.395 0.670 20 0 BCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000424141833 387719340 /nfs/dbraw/zinc/71/93/40/387719340.db2.gz XRZISZIYYMCFOQ-KXUCPTDWSA-N 2 2 234.303 0.463 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422830245 387722401 /nfs/dbraw/zinc/72/24/01/387722401.db2.gz CJFRRCWRJYHVIQ-ZYHUDNBSSA-N 3 2 222.336 0.779 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@@H]([NH3+])C(C)C)c[nH+]1 ZINC000422852634 387737422 /nfs/dbraw/zinc/73/74/22/387737422.db2.gz QUBIGQQXKPRCQG-MRVPVSSYSA-N 2 2 210.281 0.431 20 0 BCADLP C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000422916868 387773595 /nfs/dbraw/zinc/77/35/95/387773595.db2.gz BTEKEDZEIRUYOI-JFGNBEQYSA-N 2 2 237.347 0.480 20 0 BCADLP CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@@H](C)[NH3+])CC2 ZINC000442657745 387813633 /nfs/dbraw/zinc/81/36/33/387813633.db2.gz HPHUUMGTHHIVOZ-GRYCIOLGSA-N 2 2 242.363 0.586 20 0 BCADLP COC[C@@](C)(CCO)[NH2+]CCn1cc[nH+]c1 ZINC000131674524 387786523 /nfs/dbraw/zinc/78/65/23/387786523.db2.gz WULHXYJZXAOPKJ-LLVKDONJSA-N 2 2 227.308 0.260 20 0 BCADLP CCn1ncc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)n1 ZINC000527920787 387789148 /nfs/dbraw/zinc/78/91/48/387789148.db2.gz JKALKZCMLNFSPN-CMPLNLGQSA-N 2 2 237.351 0.728 20 0 BCADLP CCn1ncc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000527920787 387789153 /nfs/dbraw/zinc/78/91/53/387789153.db2.gz JKALKZCMLNFSPN-CMPLNLGQSA-N 2 2 237.351 0.728 20 0 BCADLP CC(C)[C@H](O)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422987119 387795319 /nfs/dbraw/zinc/79/53/19/387795319.db2.gz FIXFIXOYGXNHDD-AGIUHOORSA-N 2 2 242.363 0.360 20 0 BCADLP CCc1nn(C)cc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422985343 387795773 /nfs/dbraw/zinc/79/57/73/387795773.db2.gz DGQKOSYDZLVLKL-PWSUYJOCSA-N 2 2 222.336 0.952 20 0 BCADLP CC[C@H]([NH2+][C@H]1CC(=O)N(C)C1)[C@@H]1CCC[NH2+]1 ZINC000422959229 387811513 /nfs/dbraw/zinc/81/15/13/387811513.db2.gz RDGHLWZHIPFZLW-DCAQKATOSA-N 2 2 225.336 0.337 20 0 BCADLP C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)[C@H]1CCCC[NH2+]1 ZINC000422958268 387811696 /nfs/dbraw/zinc/81/16/96/387811696.db2.gz OXMSGYLECSQJHU-OUAUKWLOSA-N 2 2 225.336 0.337 20 0 BCADLP COCC[C@H](CO)[NH2+]Cc1c[nH+]c(C)n1C ZINC000521462417 387758216 /nfs/dbraw/zinc/75/82/16/387758216.db2.gz HXCRMHUNZHMZRU-SNVBAGLBSA-N 2 2 227.308 0.216 20 0 BCADLP COc1cccc(CC[NH2+][C@H]2CC[NH2+]C2)n1 ZINC000423006709 387829633 /nfs/dbraw/zinc/82/96/33/387829633.db2.gz OYCFPMCMUVTUSM-NSHDSACASA-N 2 2 221.304 0.584 20 0 BCADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC(=O)NCC1CC1 ZINC000423043532 387855905 /nfs/dbraw/zinc/85/59/05/387855905.db2.gz OXSOPYUZMUGVPJ-RYUDHWBXSA-N 2 2 239.363 0.762 20 0 BCADLP CCn1cc[nH+]c1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193630827 387858680 /nfs/dbraw/zinc/85/86/80/387858680.db2.gz RHLYVFXDLIMFLK-TXEJJXNPSA-N 2 2 234.347 0.896 20 0 BCADLP CCn1cc[nH+]c1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193630827 387858682 /nfs/dbraw/zinc/85/86/82/387858682.db2.gz RHLYVFXDLIMFLK-TXEJJXNPSA-N 2 2 234.347 0.896 20 0 BCADLP C[N@H+]1C[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@@H]2C1 ZINC000193639004 387859564 /nfs/dbraw/zinc/85/95/64/387859564.db2.gz BSTVEVWAOOTFCD-TXEJJXNPSA-N 2 2 237.347 0.102 20 0 BCADLP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@@H]2C1 ZINC000193639004 387859567 /nfs/dbraw/zinc/85/95/67/387859567.db2.gz BSTVEVWAOOTFCD-TXEJJXNPSA-N 2 2 237.347 0.102 20 0 BCADLP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@H]2C1 ZINC000193639004 387859572 /nfs/dbraw/zinc/85/95/72/387859572.db2.gz BSTVEVWAOOTFCD-TXEJJXNPSA-N 2 2 237.347 0.102 20 0 BCADLP C[NH+]1C[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@H]2C1 ZINC000193639004 387859577 /nfs/dbraw/zinc/85/95/77/387859577.db2.gz BSTVEVWAOOTFCD-TXEJJXNPSA-N 2 2 237.347 0.102 20 0 BCADLP CC[C@@H]([NH2+]CC(=O)N(C)CC)[C@@H]1CCC[NH2+]1 ZINC000423052637 387860222 /nfs/dbraw/zinc/86/02/22/387860222.db2.gz QFSCUNIOWONQQH-MNOVXSKESA-N 2 2 227.352 0.585 20 0 BCADLP C/C=C/C[C@H](CO)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000423053418 387861885 /nfs/dbraw/zinc/86/18/85/387861885.db2.gz RZYTUVCIQYZSSP-FWIQHPNGSA-N 2 2 242.363 0.670 20 0 BCADLP C[C@H]([NH3+])CCC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424171902 387863523 /nfs/dbraw/zinc/86/35/23/387863523.db2.gz CMXNRGQFADEZDG-DTWKUNHWSA-N 2 2 249.305 0.475 20 0 BCADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CCC1 ZINC000423057673 387864388 /nfs/dbraw/zinc/86/43/88/387864388.db2.gz HVQDPAMVTMEUKK-QWRGUYRKSA-N 3 2 211.353 0.940 20 0 BCADLP C[NH2+]CCOCC[NH2+][C@H](C)c1cn[nH]c1C ZINC000629529885 387872731 /nfs/dbraw/zinc/87/27/31/387872731.db2.gz PHKJLINBDRJONV-SECBINFHSA-N 2 2 226.324 0.605 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ncn(C)n1 ZINC000392121641 387816471 /nfs/dbraw/zinc/81/64/71/387816471.db2.gz TWXYKECUKLRVPO-SECBINFHSA-N 2 2 234.307 0.671 20 0 BCADLP CC(C)[C@@H](O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000432820799 387818947 /nfs/dbraw/zinc/81/89/47/387818947.db2.gz UAYAGNLAOWBUOJ-ZDUSSCGKSA-N 2 2 244.379 0.392 20 0 BCADLP CC(C)[C@@H](O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000432820799 387818950 /nfs/dbraw/zinc/81/89/50/387818950.db2.gz UAYAGNLAOWBUOJ-ZDUSSCGKSA-N 2 2 244.379 0.392 20 0 BCADLP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424182156 387896911 /nfs/dbraw/zinc/89/69/11/387896911.db2.gz YSAUEMBGRDBEMF-BDAKNGLRSA-N 2 2 249.305 0.331 20 0 BCADLP O=C1C[C@H]([NH2+][C@H]2CC[NH2+]C2)[C@@H]2CCCCN12 ZINC000423116795 387898285 /nfs/dbraw/zinc/89/82/85/387898285.db2.gz ROWXUVVSIOMYNQ-DCAQKATOSA-N 2 2 223.320 0.091 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538322 387878421 /nfs/dbraw/zinc/87/84/21/387878421.db2.gz GWFKRSVDNAXBAV-NAKRPEOUSA-N 3 2 215.316 0.403 20 0 BCADLP COC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000423089372 387880264 /nfs/dbraw/zinc/88/02/64/387880264.db2.gz UYSFTHRGUUZOJY-VOAKCMCISA-N 2 2 242.363 0.911 20 0 BCADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)C(=O)NCCF ZINC000423116767 387898489 /nfs/dbraw/zinc/89/84/89/387898489.db2.gz RLLLHZCWECUNLI-MXWKQRLJSA-N 2 2 245.342 0.581 20 0 BCADLP C[C@@H]([NH2+]C[C@@H](O)C(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423096603 387887453 /nfs/dbraw/zinc/88/74/53/387887453.db2.gz PORWTDXRAVNKRV-HRDYMLBCSA-N 2 2 222.279 0.733 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423135726 387913604 /nfs/dbraw/zinc/91/36/04/387913604.db2.gz GJIOUQWIQSFBDN-DDHJBXDOSA-N 2 2 230.352 0.766 20 0 BCADLP CC[C@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)OC ZINC000423140564 387917627 /nfs/dbraw/zinc/91/76/27/387917627.db2.gz MRKKSEJUSCQLOD-MXWKQRLJSA-N 2 2 200.326 0.999 20 0 BCADLP CC[C@@H]([NH2+][C@H](C)[C@H]1CCCC[NH2+]1)C(=O)NC ZINC000423157131 387937218 /nfs/dbraw/zinc/93/72/18/387937218.db2.gz AJXFHMHFTJNCIF-GMTAPVOTSA-N 2 2 227.352 0.631 20 0 BCADLP CCN1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1=O ZINC000423156313 387934167 /nfs/dbraw/zinc/93/41/67/387934167.db2.gz SALOEQVGNTXRHA-AXFHLTTASA-N 2 2 225.336 0.195 20 0 BCADLP CCN1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1=O ZINC000423156316 387935539 /nfs/dbraw/zinc/93/55/39/387935539.db2.gz SALOEQVGNTXRHA-MXWKQRLJSA-N 2 2 225.336 0.195 20 0 BCADLP CCN1C[C@@H]([NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)CC1=O ZINC000423157757 387936327 /nfs/dbraw/zinc/93/63/27/387936327.db2.gz VQGIZYFIAIPEIA-SDDRHHMPSA-N 2 2 239.363 0.727 20 0 BCADLP CC[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)OC ZINC000423144596 387919881 /nfs/dbraw/zinc/91/98/81/387919881.db2.gz ZCRGVZHWLLRDTJ-FRRDWIJNSA-N 2 2 242.363 0.768 20 0 BCADLP [NH3+]CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000237976230 387928049 /nfs/dbraw/zinc/92/80/49/387928049.db2.gz YOECNZZARCVKEZ-UHFFFAOYSA-N 2 2 248.261 0.586 20 0 BCADLP CN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1=O ZINC000424289097 387951866 /nfs/dbraw/zinc/95/18/66/387951866.db2.gz LMWKVSHEQHFZPJ-BBBLOLIVSA-N 2 2 211.309 0.077 20 0 BCADLP CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423161046 387943377 /nfs/dbraw/zinc/94/33/77/387943377.db2.gz NCMOMTGRPFIPJI-NNYUYHANSA-N 2 2 228.336 0.520 20 0 BCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC000424277377 387950569 /nfs/dbraw/zinc/95/05/69/387950569.db2.gz AHIZXLCJZSODQA-GHMZBOCLSA-N 2 2 225.336 0.372 20 0 BCADLP OCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156386281 387965298 /nfs/dbraw/zinc/96/52/98/387965298.db2.gz XLGCSEPYNSGVHR-NSHDSACASA-N 2 2 208.261 0.527 20 0 BCADLP COC[C@H](C)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424294987 387957373 /nfs/dbraw/zinc/95/73/73/387957373.db2.gz PIPNHNNCVXLDAN-ZMLRMANQSA-N 2 2 238.335 0.182 20 0 BCADLP COC[C@H](C)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424294987 387957376 /nfs/dbraw/zinc/95/73/76/387957376.db2.gz PIPNHNNCVXLDAN-ZMLRMANQSA-N 2 2 238.335 0.182 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000424330388 387974530 /nfs/dbraw/zinc/97/45/30/387974530.db2.gz HTOAPASTLJTOKV-UWVGGRQHSA-N 2 2 209.297 0.262 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000424330388 387974534 /nfs/dbraw/zinc/97/45/34/387974534.db2.gz HTOAPASTLJTOKV-UWVGGRQHSA-N 2 2 209.297 0.262 20 0 BCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccncc1 ZINC000424330826 387974757 /nfs/dbraw/zinc/97/47/57/387974757.db2.gz IONJGRWWTFYEIJ-VXGBXAGGSA-N 2 2 248.330 0.302 20 0 BCADLP CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424329463 387975579 /nfs/dbraw/zinc/97/55/79/387975579.db2.gz GKVZLORZRFQGRH-GMTAPVOTSA-N 2 2 227.352 0.761 20 0 BCADLP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424383876 388001436 /nfs/dbraw/zinc/00/14/36/388001436.db2.gz UQUZBIZDGDTXSA-VCDKRKBESA-N 2 2 234.347 0.803 20 0 BCADLP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424383876 388001440 /nfs/dbraw/zinc/00/14/40/388001440.db2.gz UQUZBIZDGDTXSA-VCDKRKBESA-N 2 2 234.347 0.803 20 0 BCADLP COC[C@@H](C)[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000246059227 388004551 /nfs/dbraw/zinc/00/45/51/388004551.db2.gz DWYSWQIIEZHKRI-OLZOCXBDSA-N 2 2 244.379 0.968 20 0 BCADLP COC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000246059227 388004553 /nfs/dbraw/zinc/00/45/53/388004553.db2.gz DWYSWQIIEZHKRI-OLZOCXBDSA-N 2 2 244.379 0.968 20 0 BCADLP CC1(C)C(=O)NCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000082475444 388036096 /nfs/dbraw/zinc/03/60/96/388036096.db2.gz FDNJNDGYYRYIKH-SNVBAGLBSA-N 2 2 225.336 0.196 20 0 BCADLP CC1(C)C(=O)NCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000082475444 388036099 /nfs/dbraw/zinc/03/60/99/388036099.db2.gz FDNJNDGYYRYIKH-SNVBAGLBSA-N 2 2 225.336 0.196 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000453259905 388027694 /nfs/dbraw/zinc/02/76/94/388027694.db2.gz IVHDZDIIIXRZGI-UPJWGTAASA-N 2 2 244.379 0.846 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000453259905 388027696 /nfs/dbraw/zinc/02/76/96/388027696.db2.gz IVHDZDIIIXRZGI-UPJWGTAASA-N 2 2 244.379 0.846 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000453259906 388028414 /nfs/dbraw/zinc/02/84/14/388028414.db2.gz IVHDZDIIIXRZGI-XQQFMLRXSA-N 2 2 244.379 0.846 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000453259906 388028417 /nfs/dbraw/zinc/02/84/17/388028417.db2.gz IVHDZDIIIXRZGI-XQQFMLRXSA-N 2 2 244.379 0.846 20 0 BCADLP CCC(C)(C)NC(=O)C[N@H+](C)CCC[NH2+]C ZINC000087472729 135142206 /nfs/dbraw/zinc/14/22/06/135142206.db2.gz QDAGRVBXFZCPPL-UHFFFAOYSA-N 2 2 229.368 0.833 20 0 BCADLP CCC(C)(C)NC(=O)C[N@@H+](C)CCC[NH2+]C ZINC000087472729 135142207 /nfs/dbraw/zinc/14/22/07/135142207.db2.gz QDAGRVBXFZCPPL-UHFFFAOYSA-N 2 2 229.368 0.833 20 0 BCADLP CCO[C@@H]1COC[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000453356502 388056148 /nfs/dbraw/zinc/05/61/48/388056148.db2.gz MSRJPJQSFMGOGQ-WUHRBBMRSA-N 2 2 242.363 0.863 20 0 BCADLP CCO[C@@H]1COC[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000453356502 388056153 /nfs/dbraw/zinc/05/61/53/388056153.db2.gz MSRJPJQSFMGOGQ-WUHRBBMRSA-N 2 2 242.363 0.863 20 0 BCADLP CCO[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000453356497 388056278 /nfs/dbraw/zinc/05/62/78/388056278.db2.gz MSRJPJQSFMGOGQ-FDYHWXHSSA-N 2 2 242.363 0.863 20 0 BCADLP CCO[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000453356497 388056280 /nfs/dbraw/zinc/05/62/80/388056280.db2.gz MSRJPJQSFMGOGQ-FDYHWXHSSA-N 2 2 242.363 0.863 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1COCC1(C)C ZINC000453355322 388056464 /nfs/dbraw/zinc/05/64/64/388056464.db2.gz IIUGKMQSKXHXSK-OUAUKWLOSA-N 2 2 212.337 0.951 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1COCC1(C)C ZINC000453355322 388056467 /nfs/dbraw/zinc/05/64/67/388056467.db2.gz IIUGKMQSKXHXSK-OUAUKWLOSA-N 2 2 212.337 0.951 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1COCC1(C)C ZINC000453355321 388056777 /nfs/dbraw/zinc/05/67/77/388056777.db2.gz IIUGKMQSKXHXSK-MXWKQRLJSA-N 2 2 212.337 0.951 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1COCC1(C)C ZINC000453355321 388056779 /nfs/dbraw/zinc/05/67/79/388056779.db2.gz IIUGKMQSKXHXSK-MXWKQRLJSA-N 2 2 212.337 0.951 20 0 BCADLP CCO[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000453356500 388056808 /nfs/dbraw/zinc/05/68/08/388056808.db2.gz MSRJPJQSFMGOGQ-UMSGYPCISA-N 2 2 242.363 0.863 20 0 BCADLP CCO[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000453356500 388056812 /nfs/dbraw/zinc/05/68/12/388056812.db2.gz MSRJPJQSFMGOGQ-UMSGYPCISA-N 2 2 242.363 0.863 20 0 BCADLP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423285484 388068576 /nfs/dbraw/zinc/06/85/76/388068576.db2.gz YFXVYQBXCNSFPF-JIMOISOXSA-N 2 2 223.364 0.796 20 0 BCADLP C[C@H](CCCO)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336658346 388077513 /nfs/dbraw/zinc/07/75/13/388077513.db2.gz QDWILYOYIVCKMX-MXWKQRLJSA-N 2 2 200.326 0.687 20 0 BCADLP C[C@H](CCCO)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336658346 388077516 /nfs/dbraw/zinc/07/75/16/388077516.db2.gz QDWILYOYIVCKMX-MXWKQRLJSA-N 2 2 200.326 0.687 20 0 BCADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423298288 388080352 /nfs/dbraw/zinc/08/03/52/388080352.db2.gz NYGOWRZQEXUYJY-JHJVBQTASA-N 3 2 243.395 0.861 20 0 BCADLP C[N@H+](CCOCC(F)F)[C@H]1CC[NH2+]C1 ZINC000261528107 135152568 /nfs/dbraw/zinc/15/25/68/135152568.db2.gz IOHMZWWCUGJDSN-QMMMGPOBSA-N 2 2 208.252 0.562 20 0 BCADLP C[N@@H+](CCOCC(F)F)[C@H]1CC[NH2+]C1 ZINC000261528107 135152569 /nfs/dbraw/zinc/15/25/69/135152569.db2.gz IOHMZWWCUGJDSN-QMMMGPOBSA-N 2 2 208.252 0.562 20 0 BCADLP CC[C@H](O)C[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000336661089 388099964 /nfs/dbraw/zinc/09/99/64/388099964.db2.gz SCDPZDVGMVPIHZ-DCAQKATOSA-N 2 2 200.326 0.687 20 0 BCADLP CC[C@H](O)C[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336661089 388099968 /nfs/dbraw/zinc/09/99/68/388099968.db2.gz SCDPZDVGMVPIHZ-DCAQKATOSA-N 2 2 200.326 0.687 20 0 BCADLP CC(C)N(C)C(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638530 388105498 /nfs/dbraw/zinc/10/54/98/388105498.db2.gz FGUDVWKZZMHSSE-UHFFFAOYSA-N 2 2 229.368 0.770 20 0 BCADLP CC(C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638530 388105500 /nfs/dbraw/zinc/10/55/00/388105500.db2.gz FGUDVWKZZMHSSE-UHFFFAOYSA-N 2 2 229.368 0.770 20 0 BCADLP COC(=O)COC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000449103839 388142789 /nfs/dbraw/zinc/14/27/89/388142789.db2.gz SAFWJTSVSCFSFE-QWRGUYRKSA-N 2 2 244.335 0.248 20 0 BCADLP COC(=O)COC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000449103839 388142790 /nfs/dbraw/zinc/14/27/90/388142790.db2.gz SAFWJTSVSCFSFE-QWRGUYRKSA-N 2 2 244.335 0.248 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CC[C@@](C)(O)COC)[C@@H](C)C1 ZINC000449386336 388190751 /nfs/dbraw/zinc/19/07/51/388190751.db2.gz TWAYBHPDYMGCAB-RWMBFGLXSA-N 2 2 244.379 0.704 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]CC[C@@](C)(O)COC)[C@@H](C)C1 ZINC000449386336 388190753 /nfs/dbraw/zinc/19/07/53/388190753.db2.gz TWAYBHPDYMGCAB-RWMBFGLXSA-N 2 2 244.379 0.704 20 0 BCADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)C[NH+](C)C ZINC000456355674 388196969 /nfs/dbraw/zinc/19/69/69/388196969.db2.gz QLBLSFTYUYOWAW-NSHDSACASA-N 2 2 227.352 0.491 20 0 BCADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)C[NH+](C)C ZINC000456355674 388196971 /nfs/dbraw/zinc/19/69/71/388196971.db2.gz QLBLSFTYUYOWAW-NSHDSACASA-N 2 2 227.352 0.491 20 0 BCADLP CCN1C[C@H]([NH2+][C@H]2C[N@H+](CC)C[C@@H]2C)CC1=O ZINC000449519677 388222673 /nfs/dbraw/zinc/22/26/73/388222673.db2.gz QNRWSWLFHOXIGG-TUAOUCFPSA-N 2 2 239.363 0.537 20 0 BCADLP CCN1C[C@H]([NH2+][C@H]2C[N@@H+](CC)C[C@@H]2C)CC1=O ZINC000449519677 388222675 /nfs/dbraw/zinc/22/26/75/388222675.db2.gz QNRWSWLFHOXIGG-TUAOUCFPSA-N 2 2 239.363 0.537 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000518978330 256640237 /nfs/dbraw/zinc/64/02/37/256640237.db2.gz MEBDCOUCYAGZHL-VHSXEESVSA-N 2 2 209.297 0.008 20 0 BCADLP C[NH+](C)C/C=C\C(=O)NC1=[NH+]CCS1 ZINC000491840157 388324445 /nfs/dbraw/zinc/32/44/45/388324445.db2.gz AKJAPGHMLQWUDB-ARJAWSKDSA-N 2 2 213.306 0.323 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)/C=C/C[NH+](C)C ZINC000492285387 388340472 /nfs/dbraw/zinc/34/04/72/388340472.db2.gz XMJZRUUCWNVRHD-AATRIKPKSA-N 2 2 236.319 0.496 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[NH+](C)CC1 ZINC000492320410 388341459 /nfs/dbraw/zinc/34/14/59/388341459.db2.gz OURGATHARLABTN-SNAWJCMRSA-N 2 2 248.330 0.690 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCNC(=O)C1 ZINC000300368239 388362791 /nfs/dbraw/zinc/36/27/91/388362791.db2.gz PUKRODVNGULJCU-WDEREUQCSA-N 2 2 225.336 0.339 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCNC(=O)C1 ZINC000300368239 388362794 /nfs/dbraw/zinc/36/27/94/388362794.db2.gz PUKRODVNGULJCU-WDEREUQCSA-N 2 2 225.336 0.339 20 0 BCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1C(N)=O ZINC000163692383 388366161 /nfs/dbraw/zinc/36/61/61/388366161.db2.gz HBDZGHMRDFRMAH-NWDGAFQWSA-N 2 2 239.363 0.811 20 0 BCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1C(N)=O ZINC000163692383 388366163 /nfs/dbraw/zinc/36/61/63/388366163.db2.gz HBDZGHMRDFRMAH-NWDGAFQWSA-N 2 2 239.363 0.811 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000163692383 388366166 /nfs/dbraw/zinc/36/61/66/388366166.db2.gz HBDZGHMRDFRMAH-NWDGAFQWSA-N 2 2 239.363 0.811 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@@H]1C(N)=O ZINC000163692383 388366169 /nfs/dbraw/zinc/36/61/69/388366169.db2.gz HBDZGHMRDFRMAH-NWDGAFQWSA-N 2 2 239.363 0.811 20 0 BCADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)CC(=O)NC1CC1 ZINC000163674757 388366327 /nfs/dbraw/zinc/36/63/27/388366327.db2.gz SKPFLBBQNMORKB-LBPRGKRZSA-N 2 2 239.363 0.681 20 0 BCADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)CC(=O)NC1CC1 ZINC000163674757 388366329 /nfs/dbraw/zinc/36/63/29/388366329.db2.gz SKPFLBBQNMORKB-LBPRGKRZSA-N 2 2 239.363 0.681 20 0 BCADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)CC(=O)NC1CC1 ZINC000163674757 388366331 /nfs/dbraw/zinc/36/63/31/388366331.db2.gz SKPFLBBQNMORKB-LBPRGKRZSA-N 2 2 239.363 0.681 20 0 BCADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)CC(=O)NC1CC1 ZINC000163674757 388366332 /nfs/dbraw/zinc/36/63/32/388366332.db2.gz SKPFLBBQNMORKB-LBPRGKRZSA-N 2 2 239.363 0.681 20 0 BCADLP CC[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000236948668 388386616 /nfs/dbraw/zinc/38/66/16/388386616.db2.gz MFJJBKSXMMPTFK-YWVKMMECSA-N 2 2 225.336 0.465 20 0 BCADLP CC[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000236948668 388386618 /nfs/dbraw/zinc/38/66/18/388386618.db2.gz MFJJBKSXMMPTFK-YWVKMMECSA-N 2 2 225.336 0.465 20 0 BCADLP C[NH2+]Cc1cccc(NC(=O)[C@H]2COCC[NH2+]2)c1 ZINC000237232490 388391985 /nfs/dbraw/zinc/39/19/85/388391985.db2.gz SEGSYBZWACMMOC-GFCCVEGCSA-N 2 2 249.314 0.333 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+](C)Cc1nnc[nH]1 ZINC000520603807 256675456 /nfs/dbraw/zinc/67/54/56/256675456.db2.gz BJDYRZRXIGKDFJ-UHFFFAOYSA-N 2 2 234.307 0.603 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1nnc[nH]1 ZINC000520603807 256675458 /nfs/dbraw/zinc/67/54/58/256675458.db2.gz BJDYRZRXIGKDFJ-UHFFFAOYSA-N 2 2 234.307 0.603 20 0 BCADLP CCn1cc[nH+]c1CN1CCO[C@@H](C[NH3+])C1 ZINC000165486733 388403320 /nfs/dbraw/zinc/40/33/20/388403320.db2.gz RTVVMIKXQQIXAQ-JTQLQIEISA-N 2 2 224.308 0.063 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)C(C)(C)COC ZINC000393763238 388440912 /nfs/dbraw/zinc/44/09/12/388440912.db2.gz NWBSNKBQJFBQSJ-NSHDSACASA-N 2 2 232.368 0.656 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)C(C)(C)COC ZINC000393763238 388440913 /nfs/dbraw/zinc/44/09/13/388440913.db2.gz NWBSNKBQJFBQSJ-NSHDSACASA-N 2 2 232.368 0.656 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)C(C)(C)COC ZINC000393763238 388440914 /nfs/dbraw/zinc/44/09/14/388440914.db2.gz NWBSNKBQJFBQSJ-NSHDSACASA-N 2 2 232.368 0.656 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)C(C)(C)COC ZINC000393763238 388440917 /nfs/dbraw/zinc/44/09/17/388440917.db2.gz NWBSNKBQJFBQSJ-NSHDSACASA-N 2 2 232.368 0.656 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)C(C)(C)COC ZINC000393763237 388441198 /nfs/dbraw/zinc/44/11/98/388441198.db2.gz NWBSNKBQJFBQSJ-LLVKDONJSA-N 2 2 232.368 0.656 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)(C)COC ZINC000393763237 388441200 /nfs/dbraw/zinc/44/12/00/388441200.db2.gz NWBSNKBQJFBQSJ-LLVKDONJSA-N 2 2 232.368 0.656 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)C(C)(C)COC ZINC000393763237 388441202 /nfs/dbraw/zinc/44/12/02/388441202.db2.gz NWBSNKBQJFBQSJ-LLVKDONJSA-N 2 2 232.368 0.656 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)(C)COC ZINC000393763237 388441203 /nfs/dbraw/zinc/44/12/03/388441203.db2.gz NWBSNKBQJFBQSJ-LLVKDONJSA-N 2 2 232.368 0.656 20 0 BCADLP CCOC(=O)CC[NH2+]C(C)(C)C[NH+](C)C ZINC000308574617 388443376 /nfs/dbraw/zinc/44/33/76/388443376.db2.gz WJEAWFDOQUFCMU-UHFFFAOYSA-N 2 2 216.325 0.869 20 0 BCADLP c1cn(CCCNC2=[NH+]CCCN2)c[nH+]1 ZINC000330510995 388443547 /nfs/dbraw/zinc/44/35/47/388443547.db2.gz BIKFKFHBZLCTAO-UHFFFAOYSA-N 2 2 207.281 0.212 20 0 BCADLP Cc1cc(NC(=O)[C@H]([NH3+])C2CCC2)cc[nH+]1 ZINC000335192410 388449027 /nfs/dbraw/zinc/44/90/27/388449027.db2.gz HXOJJDJZUVVQAY-LLVKDONJSA-N 2 2 219.288 0.878 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000335598135 388451920 /nfs/dbraw/zinc/45/19/20/388451920.db2.gz UAVIKZMWOCFGTK-ZJUUUORDSA-N 2 2 236.319 0.424 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000335598120 388452117 /nfs/dbraw/zinc/45/21/17/388452117.db2.gz UAVIKZMWOCFGTK-UWVGGRQHSA-N 2 2 236.319 0.424 20 0 BCADLP Cc1n[nH]cc1C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000335641512 388453101 /nfs/dbraw/zinc/45/31/01/388453101.db2.gz AWGZJCNWXMAPHV-GXSJLCMTSA-N 2 2 208.309 0.948 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(OC)CCOC2)C1 ZINC000328358275 388412281 /nfs/dbraw/zinc/41/22/81/388412281.db2.gz PIXPVQUEJARIJO-STQMWFEESA-N 2 2 242.363 0.866 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@]2(OC)CCOC2)C1 ZINC000328358275 388412282 /nfs/dbraw/zinc/41/22/82/388412282.db2.gz PIXPVQUEJARIJO-STQMWFEESA-N 2 2 242.363 0.866 20 0 BCADLP CSC[C@H](O)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000573199452 388431508 /nfs/dbraw/zinc/43/15/08/388431508.db2.gz XUKVODOVXVOTHR-JFGNBEQYSA-N 2 2 244.404 0.925 20 0 BCADLP CSC[C@H](O)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000573199452 388431512 /nfs/dbraw/zinc/43/15/12/388431512.db2.gz XUKVODOVXVOTHR-JFGNBEQYSA-N 2 2 244.404 0.925 20 0 BCADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000573249991 388433670 /nfs/dbraw/zinc/43/36/70/388433670.db2.gz RPHLHQSGLSIRIO-LBPRGKRZSA-N 2 2 239.363 0.573 20 0 BCADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000573249991 388433674 /nfs/dbraw/zinc/43/36/74/388433674.db2.gz RPHLHQSGLSIRIO-LBPRGKRZSA-N 2 2 239.363 0.573 20 0 BCADLP CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175620292 388435491 /nfs/dbraw/zinc/43/54/91/388435491.db2.gz ZXUGUFDDGZDIQN-UHFFFAOYSA-N 2 2 242.367 0.332 20 0 BCADLP C[N@H+]1CCN(C(=O)NC(C)(C)C)[C@H](C[NH3+])C1 ZINC000087613617 388521400 /nfs/dbraw/zinc/52/14/00/388521400.db2.gz LBOWAGVKWBNYGQ-SECBINFHSA-N 2 2 228.340 0.069 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000347178051 388521937 /nfs/dbraw/zinc/52/19/37/388521937.db2.gz SALWCJPPQLVITO-VIFPVBQESA-N 2 2 221.304 0.565 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000347178051 388521942 /nfs/dbraw/zinc/52/19/42/388521942.db2.gz SALWCJPPQLVITO-VIFPVBQESA-N 2 2 221.304 0.565 20 0 BCADLP C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)[C@H](C)[NH3+] ZINC000516874364 388522224 /nfs/dbraw/zinc/52/22/24/388522224.db2.gz AZCCYDWWWDWTOB-LPEHRKFASA-N 2 2 224.308 0.686 20 0 BCADLP Cc1cc(NC(=O)N(C)[C@@H]2CC[NH2+]C2)c(C)c[nH+]1 ZINC000517017974 388532296 /nfs/dbraw/zinc/53/22/96/388532296.db2.gz RGSYJODSRMAUKL-LLVKDONJSA-N 2 2 248.330 0.946 20 0 BCADLP CC[C@H]([NH3+])C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000649306495 388591644 /nfs/dbraw/zinc/59/16/44/388591644.db2.gz VHUCCRLJNAGMSX-ZDUSSCGKSA-N 2 2 247.342 0.856 20 0 BCADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC000245686589 388597321 /nfs/dbraw/zinc/59/73/21/388597321.db2.gz NGPVKEWVERQSJD-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC000245686589 388597322 /nfs/dbraw/zinc/59/73/22/388597322.db2.gz NGPVKEWVERQSJD-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000245686589 388597323 /nfs/dbraw/zinc/59/73/23/388597323.db2.gz NGPVKEWVERQSJD-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC000245686589 388597324 /nfs/dbraw/zinc/59/73/24/388597324.db2.gz NGPVKEWVERQSJD-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP Cc1cnc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000359276279 388555435 /nfs/dbraw/zinc/55/54/35/388555435.db2.gz DCFJZTDPNGPKJR-QWRGUYRKSA-N 2 2 218.304 0.436 20 0 BCADLP C[C@H](C(=O)NCC[NH+]1CCC1)[NH+]1CC(C)C1 ZINC000521269114 388566840 /nfs/dbraw/zinc/56/68/40/388566840.db2.gz QRCCVFVNSJUZMP-LLVKDONJSA-N 2 2 225.336 0.149 20 0 BCADLP Cc1cc(C[N@H+](C)CCOCC[NH3+])no1 ZINC000261569062 135211027 /nfs/dbraw/zinc/21/10/27/135211027.db2.gz GAYQBFUBZLUAEC-UHFFFAOYSA-N 2 2 213.281 0.390 20 0 BCADLP Cc1cc(C[N@@H+](C)CCOCC[NH3+])no1 ZINC000261569062 135211028 /nfs/dbraw/zinc/21/10/28/135211028.db2.gz GAYQBFUBZLUAEC-UHFFFAOYSA-N 2 2 213.281 0.390 20 0 BCADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC000081571301 388584459 /nfs/dbraw/zinc/58/44/59/388584459.db2.gz CODHQHCESVDQAG-QWRGUYRKSA-N 2 2 227.352 0.524 20 0 BCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC000081571301 388584462 /nfs/dbraw/zinc/58/44/62/388584462.db2.gz CODHQHCESVDQAG-QWRGUYRKSA-N 2 2 227.352 0.524 20 0 BCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC000081571301 388584463 /nfs/dbraw/zinc/58/44/63/388584463.db2.gz CODHQHCESVDQAG-QWRGUYRKSA-N 2 2 227.352 0.524 20 0 BCADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC000081571301 388584466 /nfs/dbraw/zinc/58/44/66/388584466.db2.gz CODHQHCESVDQAG-QWRGUYRKSA-N 2 2 227.352 0.524 20 0 BCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC000247531519 388666100 /nfs/dbraw/zinc/66/61/00/388666100.db2.gz OGATZTNMCSNWCU-MNOVXSKESA-N 2 2 227.352 0.524 20 0 BCADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC000247531519 388666104 /nfs/dbraw/zinc/66/61/04/388666104.db2.gz OGATZTNMCSNWCU-MNOVXSKESA-N 2 2 227.352 0.524 20 0 BCADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530215269 388628792 /nfs/dbraw/zinc/62/87/92/388628792.db2.gz GEMCMHPJBDTRCF-GARJFASQSA-N 3 2 211.353 0.986 20 0 BCADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530215268 388629521 /nfs/dbraw/zinc/62/95/21/388629521.db2.gz GEMCMHPJBDTRCF-DCAQKATOSA-N 3 2 211.353 0.986 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154600700 388635089 /nfs/dbraw/zinc/63/50/89/388635089.db2.gz VFVKZJRFPSBWFA-MNOVXSKESA-N 2 2 227.352 0.537 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154600700 388635092 /nfs/dbraw/zinc/63/50/92/388635092.db2.gz VFVKZJRFPSBWFA-MNOVXSKESA-N 2 2 227.352 0.537 20 0 BCADLP C[N@@H+](Cc1cc(CO)ccc1F)C[C@@H](O)C[NH3+] ZINC000530228061 388636403 /nfs/dbraw/zinc/63/64/03/388636403.db2.gz YCFPGVTXEPPBSR-NSHDSACASA-N 2 2 242.294 0.069 20 0 BCADLP C[N@H+](Cc1cc(CO)ccc1F)C[C@@H](O)C[NH3+] ZINC000530228061 388636405 /nfs/dbraw/zinc/63/64/05/388636405.db2.gz YCFPGVTXEPPBSR-NSHDSACASA-N 2 2 242.294 0.069 20 0 BCADLP Cn1c[nH+]cc1CN[C@H]1CC[NH2+]C12CCC2 ZINC000530245365 388639242 /nfs/dbraw/zinc/63/92/42/388639242.db2.gz WSJYNKFKAYGXHI-NSHDSACASA-N 2 2 220.320 0.794 20 0 BCADLP Cc1n[nH]c(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000329310762 388650740 /nfs/dbraw/zinc/65/07/40/388650740.db2.gz FWYKQMIUOKSLGE-MWLCHTKSSA-N 2 2 237.351 0.728 20 0 BCADLP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)n[nH]1 ZINC000329310762 388650742 /nfs/dbraw/zinc/65/07/42/388650742.db2.gz FWYKQMIUOKSLGE-MWLCHTKSSA-N 2 2 237.351 0.728 20 0 BCADLP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)n[nH]1 ZINC000329310762 388650744 /nfs/dbraw/zinc/65/07/44/388650744.db2.gz FWYKQMIUOKSLGE-MWLCHTKSSA-N 2 2 237.351 0.728 20 0 BCADLP Cc1nnc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)[nH]1 ZINC000329310762 388650748 /nfs/dbraw/zinc/65/07/48/388650748.db2.gz FWYKQMIUOKSLGE-MWLCHTKSSA-N 2 2 237.351 0.728 20 0 BCADLP Cc1nnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)[nH]1 ZINC000329310762 388650749 /nfs/dbraw/zinc/65/07/49/388650749.db2.gz FWYKQMIUOKSLGE-MWLCHTKSSA-N 2 2 237.351 0.728 20 0 BCADLP CC[N@H+](C)CC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000246885250 388653482 /nfs/dbraw/zinc/65/34/82/388653482.db2.gz DIISHNBPYQUYBO-MNOVXSKESA-N 2 2 200.326 0.953 20 0 BCADLP CC[N@@H+](C)CC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000246885250 388653486 /nfs/dbraw/zinc/65/34/86/388653486.db2.gz DIISHNBPYQUYBO-MNOVXSKESA-N 2 2 200.326 0.953 20 0 BCADLP Cn1cnnc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000140058593 388656449 /nfs/dbraw/zinc/65/64/49/388656449.db2.gz JGSJRDOFFLVKCC-VXGBXAGGSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cnnc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000140058593 388656451 /nfs/dbraw/zinc/65/64/51/388656451.db2.gz JGSJRDOFFLVKCC-VXGBXAGGSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cnnc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000140058593 388656453 /nfs/dbraw/zinc/65/64/53/388656453.db2.gz JGSJRDOFFLVKCC-VXGBXAGGSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cnnc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000140058593 388656455 /nfs/dbraw/zinc/65/64/55/388656455.db2.gz JGSJRDOFFLVKCC-VXGBXAGGSA-N 2 2 249.362 0.731 20 0 BCADLP CC[NH+](CC)CCC[N@H+](CC(N)=O)C(C)C ZINC000191400768 388663053 /nfs/dbraw/zinc/66/30/53/388663053.db2.gz YQXNUWHXXFKKQB-UHFFFAOYSA-N 2 2 229.368 0.914 20 0 BCADLP CC[NH+](CC)CCC[N@@H+](CC(N)=O)C(C)C ZINC000191400768 388663057 /nfs/dbraw/zinc/66/30/57/388663057.db2.gz YQXNUWHXXFKKQB-UHFFFAOYSA-N 2 2 229.368 0.914 20 0 BCADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1C(=O)NC ZINC000191462401 388664027 /nfs/dbraw/zinc/66/40/27/388664027.db2.gz NLVKXMCSKIDVTK-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1C(=O)NC ZINC000191462401 388664030 /nfs/dbraw/zinc/66/40/30/388664030.db2.gz NLVKXMCSKIDVTK-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP CO[C@@H](C[NH3+])C(=O)Nc1cc[nH+]cc1C ZINC000227383900 388750627 /nfs/dbraw/zinc/75/06/27/388750627.db2.gz FEHMHCODXAJADV-VIFPVBQESA-N 2 2 209.249 0.302 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CCO[C@H]1C ZINC000249038316 388704671 /nfs/dbraw/zinc/70/46/71/388704671.db2.gz UPXKUAIRONHBKQ-WDEREUQCSA-N 2 2 216.325 0.068 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCO[C@H]1C ZINC000249038316 388704675 /nfs/dbraw/zinc/70/46/75/388704675.db2.gz UPXKUAIRONHBKQ-WDEREUQCSA-N 2 2 216.325 0.068 20 0 BCADLP CC(C)[N@H+](C)CC(=O)N1CC[NH+](C2CC2)CC1 ZINC000127709547 388729878 /nfs/dbraw/zinc/72/98/78/388729878.db2.gz MJOMLFMQBVIUSC-UHFFFAOYSA-N 2 2 239.363 0.633 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C2CC2)CC1 ZINC000127709547 388729880 /nfs/dbraw/zinc/72/98/80/388729880.db2.gz MJOMLFMQBVIUSC-UHFFFAOYSA-N 2 2 239.363 0.633 20 0 BCADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@@H](C)[NH3+] ZINC000194865873 388901378 /nfs/dbraw/zinc/90/13/78/388901378.db2.gz DRXSIVXZOJIOCM-SECBINFHSA-N 2 2 246.314 0.808 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCNC(=O)CC1 ZINC000565159786 388919466 /nfs/dbraw/zinc/91/94/66/388919466.db2.gz AQJFFAVBOKVDIB-UHFFFAOYSA-N 2 2 236.319 0.175 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CCNC(=O)CC1 ZINC000565159786 388919468 /nfs/dbraw/zinc/91/94/68/388919468.db2.gz AQJFFAVBOKVDIB-UHFFFAOYSA-N 2 2 236.319 0.175 20 0 BCADLP CC(=O)N1CC([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000565218241 388927458 /nfs/dbraw/zinc/92/74/58/388927458.db2.gz MGFZXPSYKKQBID-RNCFNFMXSA-N 2 2 237.347 0.289 20 0 BCADLP COCC[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000153320488 388961564 /nfs/dbraw/zinc/96/15/64/388961564.db2.gz UGTSLFSEOHHBQG-OLZOCXBDSA-N 2 2 244.379 0.969 20 0 BCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]CC1(O)CCC1 ZINC000565716502 388965109 /nfs/dbraw/zinc/96/51/09/388965109.db2.gz HQWWKPJQTXFUAH-GFCCVEGCSA-N 2 2 242.363 0.338 20 0 BCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]CC1(O)CCC1 ZINC000565716502 388965111 /nfs/dbraw/zinc/96/51/11/388965111.db2.gz HQWWKPJQTXFUAH-GFCCVEGCSA-N 2 2 242.363 0.338 20 0 BCADLP C[C@@H](O)[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000305647394 388948278 /nfs/dbraw/zinc/94/82/78/388948278.db2.gz SMUXUIIQVWMRIO-NEPJUHHUSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H](O)[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000305647394 388948275 /nfs/dbraw/zinc/94/82/75/388948275.db2.gz SMUXUIIQVWMRIO-NEPJUHHUSA-N 2 2 223.320 0.976 20 0 BCADLP CCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000565489529 388949016 /nfs/dbraw/zinc/94/90/16/388949016.db2.gz YVASIBUQAAZENN-XQQFMLRXSA-N 2 2 242.363 0.552 20 0 BCADLP CCOC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000565489529 388949020 /nfs/dbraw/zinc/94/90/20/388949020.db2.gz YVASIBUQAAZENN-XQQFMLRXSA-N 2 2 242.363 0.552 20 0 BCADLP CCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000565489529 388949018 /nfs/dbraw/zinc/94/90/18/388949018.db2.gz YVASIBUQAAZENN-XQQFMLRXSA-N 2 2 242.363 0.552 20 0 BCADLP CCOC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000565489529 388949022 /nfs/dbraw/zinc/94/90/22/388949022.db2.gz YVASIBUQAAZENN-XQQFMLRXSA-N 2 2 242.363 0.552 20 0 BCADLP [NH3+]CC1(CC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000565598899 388956720 /nfs/dbraw/zinc/95/67/20/388956720.db2.gz WFJRKESHRABOMH-UHFFFAOYSA-N 2 2 236.319 0.518 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000269276533 389008235 /nfs/dbraw/zinc/00/82/35/389008235.db2.gz XQZLFCZYXUQXAK-VIFPVBQESA-N 2 2 222.292 0.476 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000269279565 389008408 /nfs/dbraw/zinc/00/84/08/389008408.db2.gz ZKECFRMZACSLTG-SECBINFHSA-N 2 2 222.292 0.334 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]Cc1ccn(C)c1 ZINC000274469614 389046623 /nfs/dbraw/zinc/04/66/23/389046623.db2.gz YXLOBLBVNIHFIZ-UHFFFAOYSA-N 2 2 225.336 0.429 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccn(C)c1 ZINC000274469614 389046629 /nfs/dbraw/zinc/04/66/29/389046629.db2.gz YXLOBLBVNIHFIZ-UHFFFAOYSA-N 2 2 225.336 0.429 20 0 BCADLP CCN(C)C(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372993221 169671860 /nfs/dbraw/zinc/67/18/60/169671860.db2.gz OVGFLIGRTNVPAZ-LBPRGKRZSA-N 2 2 241.379 0.881 20 0 BCADLP CCN(C)C(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372993221 169671861 /nfs/dbraw/zinc/67/18/61/169671861.db2.gz OVGFLIGRTNVPAZ-LBPRGKRZSA-N 2 2 241.379 0.881 20 0 BCADLP Cc1nc(N2CC[NH+](CCCO)CC2)cc[nH+]1 ZINC000266076244 132183558 /nfs/dbraw/zinc/18/35/58/132183558.db2.gz AKUWXBYRJZHJMC-UHFFFAOYSA-N 2 2 236.319 0.289 20 0 BCADLP Cc1cc[nH+]cc1N1CC[NH+](CCO)CC1 ZINC000340103275 132211480 /nfs/dbraw/zinc/21/14/80/132211480.db2.gz BCZRLGLNBYSDOB-UHFFFAOYSA-N 2 2 221.304 0.504 20 0 BCADLP C[C@@H]1C[N@H+](C)CCN1c1cc[nH+]c(N(C)C)n1 ZINC000354351339 132269822 /nfs/dbraw/zinc/26/98/22/132269822.db2.gz CPGGNPZEOBUYBW-SNVBAGLBSA-N 2 2 235.335 0.683 20 0 BCADLP C[C@@H]1C[N@@H+](C)CCN1c1cc[nH+]c(N(C)C)n1 ZINC000354351339 132269824 /nfs/dbraw/zinc/26/98/24/132269824.db2.gz CPGGNPZEOBUYBW-SNVBAGLBSA-N 2 2 235.335 0.683 20 0 BCADLP Cc1nc(N2CC[N@@H+](C)C[C@@H]2C)cc[nH+]1 ZINC000361023502 132279344 /nfs/dbraw/zinc/27/93/44/132279344.db2.gz WJGRMPAGYIDVBM-VIFPVBQESA-N 2 2 206.293 0.925 20 0 BCADLP Cc1nc(N2CC[N@H+](C)C[C@@H]2C)cc[nH+]1 ZINC000361023502 132279348 /nfs/dbraw/zinc/27/93/48/132279348.db2.gz WJGRMPAGYIDVBM-VIFPVBQESA-N 2 2 206.293 0.925 20 0 BCADLP C[C@H]([NH3+])C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000378526376 132290187 /nfs/dbraw/zinc/29/01/87/132290187.db2.gz NBAOTLSRJIPGPC-QWRGUYRKSA-N 2 2 248.330 0.514 20 0 BCADLP C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000043599833 132353652 /nfs/dbraw/zinc/35/36/52/132353652.db2.gz BECIRCWJGBCNCM-UHFFFAOYSA-N 2 2 248.330 0.340 20 0 BCADLP C[NH+]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000336044507 134063321 /nfs/dbraw/zinc/06/33/21/134063321.db2.gz SQAXBSDSMYCRIW-JTQLQIEISA-N 2 2 248.330 0.604 20 0 BCADLP COCC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000174675146 134283169 /nfs/dbraw/zinc/28/31/69/134283169.db2.gz KPLOCNJTOIDHLN-UHFFFAOYSA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC000177838513 134303633 /nfs/dbraw/zinc/30/36/33/134303633.db2.gz UPCMJINMZYJHII-NWDGAFQWSA-N 2 2 241.379 0.737 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC000177838513 134303634 /nfs/dbraw/zinc/30/36/34/134303634.db2.gz UPCMJINMZYJHII-NWDGAFQWSA-N 2 2 241.379 0.737 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000177838513 134303635 /nfs/dbraw/zinc/30/36/35/134303635.db2.gz UPCMJINMZYJHII-NWDGAFQWSA-N 2 2 241.379 0.737 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000177838513 134303636 /nfs/dbraw/zinc/30/36/36/134303636.db2.gz UPCMJINMZYJHII-NWDGAFQWSA-N 2 2 241.379 0.737 20 0 BCADLP O=C1NCC[C@H]1[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000178208702 134305020 /nfs/dbraw/zinc/30/50/20/134305020.db2.gz DXTHJWUATAKRAC-LLVKDONJSA-N 2 2 234.303 0.409 20 0 BCADLP CCOC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220928049 134315280 /nfs/dbraw/zinc/31/52/80/134315280.db2.gz DYCJYHJVCSFMCY-NWDGAFQWSA-N 2 2 240.347 0.966 20 0 BCADLP CCOC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220928049 134315281 /nfs/dbraw/zinc/31/52/81/134315281.db2.gz DYCJYHJVCSFMCY-NWDGAFQWSA-N 2 2 240.347 0.966 20 0 BCADLP CCOC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220928049 134315282 /nfs/dbraw/zinc/31/52/82/134315282.db2.gz DYCJYHJVCSFMCY-NWDGAFQWSA-N 2 2 240.347 0.966 20 0 BCADLP CCOC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220928049 134315283 /nfs/dbraw/zinc/31/52/83/134315283.db2.gz DYCJYHJVCSFMCY-NWDGAFQWSA-N 2 2 240.347 0.966 20 0 BCADLP COC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)CCO1 ZINC000179250664 134318906 /nfs/dbraw/zinc/31/89/06/134318906.db2.gz GOYRUVRLYDBGOD-STQMWFEESA-N 2 2 242.363 0.818 20 0 BCADLP COC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CCO1 ZINC000179250664 134318907 /nfs/dbraw/zinc/31/89/07/134318907.db2.gz GOYRUVRLYDBGOD-STQMWFEESA-N 2 2 242.363 0.818 20 0 BCADLP COC[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000179250664 134318908 /nfs/dbraw/zinc/31/89/08/134318908.db2.gz GOYRUVRLYDBGOD-STQMWFEESA-N 2 2 242.363 0.818 20 0 BCADLP COC[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CCO1 ZINC000179250664 134318909 /nfs/dbraw/zinc/31/89/09/134318909.db2.gz GOYRUVRLYDBGOD-STQMWFEESA-N 2 2 242.363 0.818 20 0 BCADLP COC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000223732408 134339308 /nfs/dbraw/zinc/33/93/08/134339308.db2.gz NPEFRPYVKBVGFZ-CKYFFXLPSA-N 2 2 228.336 0.209 20 0 BCADLP COC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000223732408 134339309 /nfs/dbraw/zinc/33/93/09/134339309.db2.gz NPEFRPYVKBVGFZ-CKYFFXLPSA-N 2 2 228.336 0.209 20 0 BCADLP C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C[C@@H]1O ZINC000224545721 134348391 /nfs/dbraw/zinc/34/83/91/134348391.db2.gz QACFGRSIMKXSIY-NEPJUHHUSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C[C@@H]1O ZINC000224545721 134348392 /nfs/dbraw/zinc/34/83/92/134348392.db2.gz QACFGRSIMKXSIY-NEPJUHHUSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226831589 134369698 /nfs/dbraw/zinc/36/96/98/134369698.db2.gz GIIVLQQOIGBZLR-OUAUKWLOSA-N 2 2 248.392 0.492 20 0 BCADLP C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226831589 134369699 /nfs/dbraw/zinc/36/96/99/134369699.db2.gz GIIVLQQOIGBZLR-OUAUKWLOSA-N 2 2 248.392 0.492 20 0 BCADLP COC(=O)[C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227736075 134386225 /nfs/dbraw/zinc/38/62/25/134386225.db2.gz QRKXPEIPBLMBBV-VHSXEESVSA-N 2 2 216.325 0.853 20 0 BCADLP COC(=O)[C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227736075 134386226 /nfs/dbraw/zinc/38/62/26/134386226.db2.gz QRKXPEIPBLMBBV-VHSXEESVSA-N 2 2 216.325 0.853 20 0 BCADLP CC[NH+]1CCC([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC000229725763 134465935 /nfs/dbraw/zinc/46/59/35/134465935.db2.gz OMCVSKPRSPXNBV-LLVKDONJSA-N 2 2 225.336 0.291 20 0 BCADLP CC[NH+](CC)CCC[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000191895841 134577750 /nfs/dbraw/zinc/57/77/50/134577750.db2.gz FNPYFMFWIAELQN-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP CC[NH+](CC)CCC[N@H+]1CCCNC(=O)[C@@H]1C ZINC000191895841 134577751 /nfs/dbraw/zinc/57/77/51/134577751.db2.gz FNPYFMFWIAELQN-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP NC(=[NH2+])NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000069461722 134900272 /nfs/dbraw/zinc/90/02/72/134900272.db2.gz ZXAFTYAMNXWWAK-UHFFFAOYSA-N 2 2 229.287 0.914 20 0 BCADLP C[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248707284 135019853 /nfs/dbraw/zinc/01/98/53/135019853.db2.gz BBMTZNKCTMHQDF-STQMWFEESA-N 2 2 242.363 0.411 20 0 BCADLP C[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248707284 135019855 /nfs/dbraw/zinc/01/98/55/135019855.db2.gz BBMTZNKCTMHQDF-STQMWFEESA-N 2 2 242.363 0.411 20 0 BCADLP OC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000086730039 135095397 /nfs/dbraw/zinc/09/53/97/135095397.db2.gz GZLRFRBGMXAHBJ-QWHCGFSZSA-N 2 2 220.316 0.542 20 0 BCADLP CC[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000252709901 135099291 /nfs/dbraw/zinc/09/92/91/135099291.db2.gz FDTUFZJAQZFWJE-QWRGUYRKSA-N 2 2 227.352 0.714 20 0 BCADLP CC[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000252709901 135099292 /nfs/dbraw/zinc/09/92/92/135099292.db2.gz FDTUFZJAQZFWJE-QWRGUYRKSA-N 2 2 227.352 0.714 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000252713343 135100187 /nfs/dbraw/zinc/10/01/87/135100187.db2.gz OXPGGBKBIKNVMQ-UTUOFQBUSA-N 2 2 229.368 0.245 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000252713343 135100189 /nfs/dbraw/zinc/10/01/89/135100189.db2.gz OXPGGBKBIKNVMQ-UTUOFQBUSA-N 2 2 229.368 0.245 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252715818 135101887 /nfs/dbraw/zinc/10/18/87/135101887.db2.gz WUISKVJWYRLGLC-VWYCJHECSA-N 2 2 227.352 0.441 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252715818 135101889 /nfs/dbraw/zinc/10/18/89/135101889.db2.gz WUISKVJWYRLGLC-VWYCJHECSA-N 2 2 227.352 0.441 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC2)C[N@@H+]1C1CC1 ZINC000252749118 135107108 /nfs/dbraw/zinc/10/71/08/135107108.db2.gz UPNNWGHIUFTQFF-VWYCJHECSA-N 2 2 210.321 0.990 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC2)C[N@H+]1C1CC1 ZINC000252749118 135107109 /nfs/dbraw/zinc/10/71/09/135107109.db2.gz UPNNWGHIUFTQFF-VWYCJHECSA-N 2 2 210.321 0.990 20 0 BCADLP O[C@@H]1CC[C@H]2C[N@H+](CCCn3cc[nH+]c3)C[C@H]12 ZINC000252852641 135112497 /nfs/dbraw/zinc/11/24/97/135112497.db2.gz GGBIBECZUIAFOW-RWMBFGLXSA-N 2 2 235.331 0.976 20 0 BCADLP O[C@@H]1CC[C@H]2C[N@@H+](CCCn3cc[nH+]c3)C[C@H]12 ZINC000252852641 135112500 /nfs/dbraw/zinc/11/25/00/135112500.db2.gz GGBIBECZUIAFOW-RWMBFGLXSA-N 2 2 235.331 0.976 20 0 BCADLP O[C@@H]1CC[C@@H]2C[N@H+](CCCn3cc[nH+]c3)C[C@H]12 ZINC000252852638 135112747 /nfs/dbraw/zinc/11/27/47/135112747.db2.gz GGBIBECZUIAFOW-FRRDWIJNSA-N 2 2 235.331 0.976 20 0 BCADLP O[C@@H]1CC[C@@H]2C[N@@H+](CCCn3cc[nH+]c3)C[C@H]12 ZINC000252852638 135112749 /nfs/dbraw/zinc/11/27/49/135112749.db2.gz GGBIBECZUIAFOW-FRRDWIJNSA-N 2 2 235.331 0.976 20 0 BCADLP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@@H](CO)O1 ZINC000262118952 135115740 /nfs/dbraw/zinc/11/57/40/135115740.db2.gz XEVOUTXZNZWLSZ-GRYCIOLGSA-N 2 2 228.336 0.068 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@@H](CO)O1 ZINC000262118952 135115742 /nfs/dbraw/zinc/11/57/42/135115742.db2.gz XEVOUTXZNZWLSZ-GRYCIOLGSA-N 2 2 228.336 0.068 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCC[C@H]1O ZINC000252952274 135117625 /nfs/dbraw/zinc/11/76/25/135117625.db2.gz FPXJPKZTPXDHIM-YVECIDJPSA-N 2 2 242.363 0.504 20 0 BCADLP C[N@@H+](Cc1cc(F)ccc1F)C[C@H](O)C[NH3+] ZINC000259060010 135136887 /nfs/dbraw/zinc/13/68/87/135136887.db2.gz QEZITPFGYBSYRY-SNVBAGLBSA-N 2 2 230.258 0.716 20 0 BCADLP C[N@H+](Cc1cc(F)ccc1F)C[C@H](O)C[NH3+] ZINC000259060010 135136888 /nfs/dbraw/zinc/13/68/88/135136888.db2.gz QEZITPFGYBSYRY-SNVBAGLBSA-N 2 2 230.258 0.716 20 0 BCADLP C[NH2+]CCC[N@@H+](C)CC(=O)N(C)C1CC1 ZINC000087472785 135142201 /nfs/dbraw/zinc/14/22/01/135142201.db2.gz PAODDSBGEMPEBG-UHFFFAOYSA-N 2 2 213.325 0.149 20 0 BCADLP C[NH2+]CCC[N@H+](C)CC(=O)N(C)C1CC1 ZINC000087472785 135142200 /nfs/dbraw/zinc/14/22/00/135142200.db2.gz PAODDSBGEMPEBG-UHFFFAOYSA-N 2 2 213.325 0.149 20 0 BCADLP CCCCNC(=O)[C@H](C)[N@H+](C)CCC[NH2+]C ZINC000087472645 135142210 /nfs/dbraw/zinc/14/22/10/135142210.db2.gz RFUNOYYGBXNUMN-NSHDSACASA-N 2 2 229.368 0.833 20 0 BCADLP CCCCNC(=O)[C@H](C)[N@@H+](C)CCC[NH2+]C ZINC000087472645 135142211 /nfs/dbraw/zinc/14/22/11/135142211.db2.gz RFUNOYYGBXNUMN-NSHDSACASA-N 2 2 229.368 0.833 20 0 BCADLP Cc1n[nH]cc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000261545446 135148728 /nfs/dbraw/zinc/14/87/28/135148728.db2.gz JZWVTLQTXNZAGE-UHFFFAOYSA-N 2 2 208.309 0.902 20 0 BCADLP Cc1n[nH]cc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000261545446 135148731 /nfs/dbraw/zinc/14/87/31/135148731.db2.gz JZWVTLQTXNZAGE-UHFFFAOYSA-N 2 2 208.309 0.902 20 0 BCADLP COCCOC1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000261545444 135148866 /nfs/dbraw/zinc/14/88/66/135148866.db2.gz JZVFUTIIPVPGNY-JTQLQIEISA-N 2 2 216.325 0.461 20 0 BCADLP Cn1c[nH+]cc1CN1CC[NH2+]C(C)(C)C1 ZINC000261528132 135153085 /nfs/dbraw/zinc/15/30/85/135153085.db2.gz JVDIPOXXKZZTIN-UHFFFAOYSA-N 2 2 208.309 0.604 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCSC1 ZINC000261531350 135160192 /nfs/dbraw/zinc/16/01/92/135160192.db2.gz GEROOENLFVWSQO-OUAUKWLOSA-N 2 2 230.377 0.849 20 0 BCADLP CCCS(=O)(=O)CC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261534949 135168855 /nfs/dbraw/zinc/16/88/55/135168855.db2.gz UPIMDDPTPOXXGI-WDEREUQCSA-N 2 2 248.392 0.480 20 0 BCADLP CCCS(=O)(=O)CC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261534949 135168856 /nfs/dbraw/zinc/16/88/56/135168856.db2.gz UPIMDDPTPOXXGI-WDEREUQCSA-N 2 2 248.392 0.480 20 0 BCADLP C[C@H]1CC[N@H+](CC(C)(C)[NH3+])[C@@H](C(N)=O)C1 ZINC000261540188 135179135 /nfs/dbraw/zinc/17/91/35/135179135.db2.gz DTNNFCSWIPNODU-DTWKUNHWSA-N 2 2 213.325 0.310 20 0 BCADLP C[C@H]1CC[N@@H+](CC(C)(C)[NH3+])[C@@H](C(N)=O)C1 ZINC000261540188 135179137 /nfs/dbraw/zinc/17/91/37/135179137.db2.gz DTNNFCSWIPNODU-DTWKUNHWSA-N 2 2 213.325 0.310 20 0 BCADLP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)nn1 ZINC000261542252 135182689 /nfs/dbraw/zinc/18/26/89/135182689.db2.gz OHGGIJDQUWHWBL-ZMLRMANQSA-N 2 2 235.335 0.374 20 0 BCADLP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)nn1 ZINC000261542252 135182691 /nfs/dbraw/zinc/18/26/91/135182691.db2.gz OHGGIJDQUWHWBL-ZMLRMANQSA-N 2 2 235.335 0.374 20 0 BCADLP C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1[NH3+] ZINC000261544098 135185167 /nfs/dbraw/zinc/18/51/67/135185167.db2.gz WQPJNAYVUIDYOD-BXKDBHETSA-N 2 2 233.315 0.565 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1[NH3+] ZINC000261544098 135185168 /nfs/dbraw/zinc/18/51/68/135185168.db2.gz WQPJNAYVUIDYOD-BXKDBHETSA-N 2 2 233.315 0.565 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261551306 135190350 /nfs/dbraw/zinc/19/03/50/135190350.db2.gz MBWLVFMXZXENRQ-WCQYABFASA-N 2 2 241.379 0.818 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261551306 135190352 /nfs/dbraw/zinc/19/03/52/135190352.db2.gz MBWLVFMXZXENRQ-WCQYABFASA-N 2 2 241.379 0.818 20 0 BCADLP CC[C@H](C)NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000261555412 135195611 /nfs/dbraw/zinc/19/56/11/135195611.db2.gz UXDZUHBSWAJCRS-VIFPVBQESA-N 2 2 213.325 0.372 20 0 BCADLP c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)n[nH]1 ZINC000261555988 135196201 /nfs/dbraw/zinc/19/62/01/135196201.db2.gz VNBGRCRFBVGTQZ-UWVGGRQHSA-N 2 2 206.293 0.451 20 0 BCADLP c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)n[nH]1 ZINC000261555988 135196203 /nfs/dbraw/zinc/19/62/03/135196203.db2.gz VNBGRCRFBVGTQZ-UWVGGRQHSA-N 2 2 206.293 0.451 20 0 BCADLP Cc1c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cnn1C ZINC000261556430 135197252 /nfs/dbraw/zinc/19/72/52/135197252.db2.gz QRBBGUSUEBNWPI-DGCLKSJQSA-N 2 2 234.347 0.770 20 0 BCADLP Cc1c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cnn1C ZINC000261556430 135197253 /nfs/dbraw/zinc/19/72/53/135197253.db2.gz QRBBGUSUEBNWPI-DGCLKSJQSA-N 2 2 234.347 0.770 20 0 BCADLP c1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)n[nH]1 ZINC000261558136 135198614 /nfs/dbraw/zinc/19/86/14/135198614.db2.gz XVXZNQFSXNTAON-MWLCHTKSSA-N 2 2 206.293 0.594 20 0 BCADLP c1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)n[nH]1 ZINC000261558136 135198615 /nfs/dbraw/zinc/19/86/15/135198615.db2.gz XVXZNQFSXNTAON-MWLCHTKSSA-N 2 2 206.293 0.594 20 0 BCADLP c1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)n[nH]1 ZINC000261558134 135198771 /nfs/dbraw/zinc/19/87/71/135198771.db2.gz XVXZNQFSXNTAON-GXSJLCMTSA-N 2 2 206.293 0.594 20 0 BCADLP c1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)n[nH]1 ZINC000261558134 135198773 /nfs/dbraw/zinc/19/87/73/135198773.db2.gz XVXZNQFSXNTAON-GXSJLCMTSA-N 2 2 206.293 0.594 20 0 BCADLP C[C@H]1[NH2+]CCN(Cc2[nH+]ccn2C)[C@H]1C ZINC000261560061 135200676 /nfs/dbraw/zinc/20/06/76/135200676.db2.gz ZLNYHNFAZWWFEH-ZJUUUORDSA-N 2 2 208.309 0.602 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261561364 135202843 /nfs/dbraw/zinc/20/28/43/135202843.db2.gz VGGNFSGARWBQKC-QJPTWQEYSA-N 2 2 239.363 0.585 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261561364 135202844 /nfs/dbraw/zinc/20/28/44/135202844.db2.gz VGGNFSGARWBQKC-QJPTWQEYSA-N 2 2 239.363 0.585 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000261562874 135204123 /nfs/dbraw/zinc/20/41/23/135204123.db2.gz WQGFWQRCTGDJPG-ZDUSSCGKSA-N 2 2 239.363 0.716 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000261562874 135204125 /nfs/dbraw/zinc/20/41/25/135204125.db2.gz WQGFWQRCTGDJPG-ZDUSSCGKSA-N 2 2 239.363 0.716 20 0 BCADLP C[NH2+]C1CC[NH+](Cc2cn(C)nc2C)CC1 ZINC000261562443 135204809 /nfs/dbraw/zinc/20/48/09/135204809.db2.gz BHOMLCHFAGRQEM-UHFFFAOYSA-N 2 2 222.336 0.912 20 0 BCADLP CC(=O)N1CCC[N@H+](CC(C)(C)[NH3+])CC1 ZINC000261568924 135211125 /nfs/dbraw/zinc/21/11/25/135211125.db2.gz FZJMWOTYLAZELP-UHFFFAOYSA-N 2 2 213.325 0.278 20 0 BCADLP CC(=O)N1CCC[N@@H+](CC(C)(C)[NH3+])CC1 ZINC000261568924 135211127 /nfs/dbraw/zinc/21/11/27/135211127.db2.gz FZJMWOTYLAZELP-UHFFFAOYSA-N 2 2 213.325 0.278 20 0 BCADLP Cn1nccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261573069 135214757 /nfs/dbraw/zinc/21/47/57/135214757.db2.gz ILRQIIVABZHENV-CMPLNLGQSA-N 2 2 220.320 0.604 20 0 BCADLP Cn1nccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261573069 135214759 /nfs/dbraw/zinc/21/47/59/135214759.db2.gz ILRQIIVABZHENV-CMPLNLGQSA-N 2 2 220.320 0.604 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000261576987 135218803 /nfs/dbraw/zinc/21/88/03/135218803.db2.gz KSGQHELSDCSWGZ-NWDGAFQWSA-N 2 2 220.320 0.461 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000261576987 135218804 /nfs/dbraw/zinc/21/88/04/135218804.db2.gz KSGQHELSDCSWGZ-NWDGAFQWSA-N 2 2 220.320 0.461 20 0 BCADLP [NH3+]CC[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000261577050 135218808 /nfs/dbraw/zinc/21/88/08/135218808.db2.gz KVKOKOVDSJGAQS-CYBMUJFWSA-N 2 2 220.316 0.927 20 0 BCADLP [NH3+]CC[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000261577050 135218809 /nfs/dbraw/zinc/21/88/09/135218809.db2.gz KVKOKOVDSJGAQS-CYBMUJFWSA-N 2 2 220.316 0.927 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261579614 135220354 /nfs/dbraw/zinc/22/03/54/135220354.db2.gz MKEGZLAMQHZGTQ-LBPRGKRZSA-N 2 2 225.336 0.196 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261579614 135220356 /nfs/dbraw/zinc/22/03/56/135220356.db2.gz MKEGZLAMQHZGTQ-LBPRGKRZSA-N 2 2 225.336 0.196 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261579639 135220965 /nfs/dbraw/zinc/22/09/65/135220965.db2.gz MLJMCHNFJKPCBS-GFCCVEGCSA-N 2 2 225.336 0.198 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261579639 135220966 /nfs/dbraw/zinc/22/09/66/135220966.db2.gz MLJMCHNFJKPCBS-GFCCVEGCSA-N 2 2 225.336 0.198 20 0 BCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC[NH3+])C1 ZINC000261587962 135228638 /nfs/dbraw/zinc/22/86/38/135228638.db2.gz SAIIHLVSCUPMIZ-LBPRGKRZSA-N 3 2 229.368 0.378 20 0 BCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC[NH3+])C1 ZINC000261587962 135228639 /nfs/dbraw/zinc/22/86/39/135228639.db2.gz SAIIHLVSCUPMIZ-LBPRGKRZSA-N 3 2 229.368 0.378 20 0 BCADLP CCCC(=O)NC[C@H]1CCC[N@H+](CC[NH3+])C1 ZINC000261595732 135235659 /nfs/dbraw/zinc/23/56/59/135235659.db2.gz YJHYHFIZTZLZID-LLVKDONJSA-N 2 2 227.352 0.573 20 0 BCADLP CCCC(=O)NC[C@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000261595732 135235660 /nfs/dbraw/zinc/23/56/60/135235660.db2.gz YJHYHFIZTZLZID-LLVKDONJSA-N 2 2 227.352 0.573 20 0 BCADLP Cc1nn(C)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261546264 135238692 /nfs/dbraw/zinc/23/86/92/135238692.db2.gz GUGUUWQEVNWYKU-DGCLKSJQSA-N 2 2 234.347 0.912 20 0 BCADLP Cc1nn(C)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261546264 135238693 /nfs/dbraw/zinc/23/86/93/135238693.db2.gz GUGUUWQEVNWYKU-DGCLKSJQSA-N 2 2 234.347 0.912 20 0 BCADLP Cc1c[nH+]ccc1CCNC1=[NH+]CCCN1 ZINC000261703120 135246532 /nfs/dbraw/zinc/24/65/32/135246532.db2.gz UGGGUJJKCSNPFY-UHFFFAOYSA-N 2 2 218.304 0.871 20 0 BCADLP CCC[N@H+](CC(=O)OC)C[C@@]1(C)CC[NH2+]C1 ZINC000261720008 135247497 /nfs/dbraw/zinc/24/74/97/135247497.db2.gz FTRRWEHHWZWSAG-LBPRGKRZSA-N 2 2 228.336 0.871 20 0 BCADLP CCC[N@@H+](CC(=O)OC)C[C@@]1(C)CC[NH2+]C1 ZINC000261720008 135247498 /nfs/dbraw/zinc/24/74/98/135247498.db2.gz FTRRWEHHWZWSAG-LBPRGKRZSA-N 2 2 228.336 0.871 20 0 BCADLP C[C@H]([NH3+])CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000261719760 135247709 /nfs/dbraw/zinc/24/77/09/135247709.db2.gz GUSAJNBJCUSHNI-VHSXEESVSA-N 2 2 236.319 0.853 20 0 BCADLP Cc1ccn2cc(CNC(=O)C[C@@H](C)[NH3+])[nH+]c2c1 ZINC000261736123 135249058 /nfs/dbraw/zinc/24/90/58/135249058.db2.gz GFICHDVMXKJAHF-SNVBAGLBSA-N 2 2 246.314 0.996 20 0 BCADLP C[N@H+]1C[C@@H]2C[NH+](C[C@@]3(C)CC[NH2+]C3)C[C@@H]2C1 ZINC000261772782 135251401 /nfs/dbraw/zinc/25/14/01/135251401.db2.gz MUJLZBHHEFWKMM-XQQFMLRXSA-N 3 2 223.364 0.479 20 0 BCADLP C[N@@H+]1C[C@@H]2C[NH+](C[C@@]3(C)CC[NH2+]C3)C[C@@H]2C1 ZINC000261772782 135251403 /nfs/dbraw/zinc/25/14/03/135251403.db2.gz MUJLZBHHEFWKMM-XQQFMLRXSA-N 3 2 223.364 0.479 20 0 BCADLP C[NH+]1C[C@@H]2C[N@@H+](C[C@@]3(C)CC[NH2+]C3)C[C@@H]2C1 ZINC000261772782 135251405 /nfs/dbraw/zinc/25/14/05/135251405.db2.gz MUJLZBHHEFWKMM-XQQFMLRXSA-N 3 2 223.364 0.479 20 0 BCADLP C[NH+]1C[C@@H]2C[N@H+](C[C@@]3(C)CC[NH2+]C3)C[C@@H]2C1 ZINC000261772782 135251406 /nfs/dbraw/zinc/25/14/06/135251406.db2.gz MUJLZBHHEFWKMM-XQQFMLRXSA-N 3 2 223.364 0.479 20 0 BCADLP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261856933 135258455 /nfs/dbraw/zinc/25/84/55/135258455.db2.gz RYWPSXBOOWEFNF-ZDUSSCGKSA-N 2 2 239.363 0.526 20 0 BCADLP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261856933 135258456 /nfs/dbraw/zinc/25/84/56/135258456.db2.gz RYWPSXBOOWEFNF-ZDUSSCGKSA-N 2 2 239.363 0.526 20 0 BCADLP C[C@H]([NH3+])CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000261872778 135259391 /nfs/dbraw/zinc/25/93/91/135259391.db2.gz QYBPTNFHPYLZBQ-VIFPVBQESA-N 2 2 236.319 0.853 20 0 BCADLP C[C@H]([NH3+])CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000261872778 135259393 /nfs/dbraw/zinc/25/93/93/135259393.db2.gz QYBPTNFHPYLZBQ-VIFPVBQESA-N 2 2 236.319 0.853 20 0 BCADLP C[C@@H]([NH3+])CC(=O)NCc1cn2ccccc2[nH+]1 ZINC000261884219 135260276 /nfs/dbraw/zinc/26/02/76/135260276.db2.gz ULNDTEMVOSHLFV-SECBINFHSA-N 2 2 232.287 0.688 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261906002 135261973 /nfs/dbraw/zinc/26/19/73/135261973.db2.gz FTAUFJUARIWWHO-SNVBAGLBSA-N 2 2 248.330 0.724 20 0 BCADLP C[C@H]([NH3+])CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000261854074 135263485 /nfs/dbraw/zinc/26/34/85/135263485.db2.gz NOMCQWKWPIRRHG-VIFPVBQESA-N 2 2 232.287 0.688 20 0 BCADLP COC(=O)[C@@H]1CC12CC[NH+](CC(C)(C)[NH3+])CC2 ZINC000262028090 135274269 /nfs/dbraw/zinc/27/42/69/135274269.db2.gz WWAQIUFVPUACOY-JTQLQIEISA-N 2 2 240.347 0.999 20 0 BCADLP CCC[C@H]1C(=O)NCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262079550 135277347 /nfs/dbraw/zinc/27/73/47/135277347.db2.gz SWJLFLYZUJZAFK-AAEUAGOBSA-N 2 2 239.363 0.587 20 0 BCADLP CCC[C@H]1C(=O)NCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262079550 135277348 /nfs/dbraw/zinc/27/73/48/135277348.db2.gz SWJLFLYZUJZAFK-AAEUAGOBSA-N 2 2 239.363 0.587 20 0 BCADLP [NH3+]CC[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000263033347 135327942 /nfs/dbraw/zinc/32/79/42/135327942.db2.gz SCTDKLYSERYHNI-ZDUSSCGKSA-N 2 2 242.363 0.995 20 0 BCADLP [NH3+]CC[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000263065415 135330858 /nfs/dbraw/zinc/33/08/58/135330858.db2.gz VWKPNWNIKVQKOM-JTQLQIEISA-N 2 2 235.335 0.362 20 0 BCADLP [NH3+]CC[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000263065415 135330860 /nfs/dbraw/zinc/33/08/60/135330860.db2.gz VWKPNWNIKVQKOM-JTQLQIEISA-N 2 2 235.335 0.362 20 0 BCADLP C[C@@]1(C[NH3+])CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000334275598 135332485 /nfs/dbraw/zinc/33/24/85/135332485.db2.gz MUKAJZFLDDKSGZ-SCZZXKLOSA-N 2 2 247.289 0.181 20 0 BCADLP C[C@]1(C[NH3+])CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000334275583 135332941 /nfs/dbraw/zinc/33/29/41/135332941.db2.gz MUKAJZFLDDKSGZ-PSASIEDQSA-N 2 2 247.289 0.181 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000334820368 135832810 /nfs/dbraw/zinc/83/28/10/135832810.db2.gz GGJBPGFSEATVEK-LLVKDONJSA-N 2 2 248.330 0.933 20 0 BCADLP Cc1cc(NC(=O)N2CC[C@H]([NH3+])[C@H]2C)cc[nH+]1 ZINC000334823561 135833524 /nfs/dbraw/zinc/83/35/24/135833524.db2.gz JAESGNXNPLBEDH-KOLCDFICSA-N 2 2 234.303 0.765 20 0 BCADLP C[N@H+](CC(C)(C)O)C1CC[NH+](CCO)CC1 ZINC000348275277 136059201 /nfs/dbraw/zinc/05/92/01/136059201.db2.gz JNWDRQSRSAVWHE-UHFFFAOYSA-N 2 2 230.352 0.146 20 0 BCADLP C[N@@H+](CC(C)(C)O)C1CC[NH+](CCO)CC1 ZINC000348275277 136059202 /nfs/dbraw/zinc/05/92/02/136059202.db2.gz JNWDRQSRSAVWHE-UHFFFAOYSA-N 2 2 230.352 0.146 20 0 BCADLP [NH3+]C1(C(=O)NCc2ccn3cc[nH+]c3c2)CCC1 ZINC000335370066 136082751 /nfs/dbraw/zinc/08/27/51/136082751.db2.gz ZYTQIMQFKADKKZ-UHFFFAOYSA-N 2 2 244.298 0.832 20 0 BCADLP [NH3+]CC[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000335393396 136091589 /nfs/dbraw/zinc/09/15/89/136091589.db2.gz CNLXDKFMAXHMHF-JQWIXIFHSA-N 2 2 237.347 0.420 20 0 BCADLP [NH3+]CC[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000335393396 136091590 /nfs/dbraw/zinc/09/15/90/136091590.db2.gz CNLXDKFMAXHMHF-JQWIXIFHSA-N 2 2 237.347 0.420 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](CO)c1cccnc1 ZINC000348677702 136113405 /nfs/dbraw/zinc/11/34/05/136113405.db2.gz GGFVUOBPUQLNGM-XBFCOCLRSA-N 2 2 249.358 0.697 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](CO)c1cccnc1 ZINC000348677702 136113406 /nfs/dbraw/zinc/11/34/06/136113406.db2.gz GGFVUOBPUQLNGM-XBFCOCLRSA-N 2 2 249.358 0.697 20 0 BCADLP c1[nH]c(C[NH+]2CCC3(CC2)OCCO3)c[nH+]1 ZINC000179946958 397854898 /nfs/dbraw/zinc/85/48/98/397854898.db2.gz QAVOVOANJIVQKT-UHFFFAOYSA-N 2 2 223.276 0.749 20 0 BCADLP C([C@H]1CC[NH2+]C1)[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000647891441 397934846 /nfs/dbraw/zinc/93/48/46/397934846.db2.gz BQECYHAOVRSZFM-RWMBFGLXSA-N 2 2 240.347 0.476 20 0 BCADLP C([C@H]1CC[NH2+]C1)[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000647891441 397934847 /nfs/dbraw/zinc/93/48/47/397934847.db2.gz BQECYHAOVRSZFM-RWMBFGLXSA-N 2 2 240.347 0.476 20 0 BCADLP Cc1nc(N2CC[N@@H+](CCO)C[C@@H]2C)cc[nH+]1 ZINC000649566391 397956144 /nfs/dbraw/zinc/95/61/44/397956144.db2.gz NAXZGRXUPFTYII-JTQLQIEISA-N 2 2 236.319 0.288 20 0 BCADLP Cc1nc(N2CC[N@H+](CCO)C[C@@H]2C)cc[nH+]1 ZINC000649566391 397956148 /nfs/dbraw/zinc/95/61/48/397956148.db2.gz NAXZGRXUPFTYII-JTQLQIEISA-N 2 2 236.319 0.288 20 0 BCADLP CC[NH+]1CCC([NH2+]C2COCCOC2)CC1 ZINC000390579899 397896043 /nfs/dbraw/zinc/89/60/43/397896043.db2.gz PDXUSTWLWZTINB-UHFFFAOYSA-N 2 2 228.336 0.476 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000336731314 398022953 /nfs/dbraw/zinc/02/29/53/398022953.db2.gz FEGCNKRAUHPMPP-MNOVXSKESA-N 2 2 227.352 0.572 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000336731314 398022957 /nfs/dbraw/zinc/02/29/57/398022957.db2.gz FEGCNKRAUHPMPP-MNOVXSKESA-N 2 2 227.352 0.572 20 0 BCADLP COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c[nH+]cn1C ZINC000649742859 398080346 /nfs/dbraw/zinc/08/03/46/398080346.db2.gz UMUXKZVJGSMCSO-GXSJLCMTSA-N 2 2 225.292 0.002 20 0 BCADLP COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1c[nH+]cn1C ZINC000649742859 398080350 /nfs/dbraw/zinc/08/03/50/398080350.db2.gz UMUXKZVJGSMCSO-GXSJLCMTSA-N 2 2 225.292 0.002 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000390771420 398098084 /nfs/dbraw/zinc/09/80/84/398098084.db2.gz WINNLCPGBVQJHJ-RYUDHWBXSA-N 3 2 211.353 0.527 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000390771420 398098086 /nfs/dbraw/zinc/09/80/86/398098086.db2.gz WINNLCPGBVQJHJ-RYUDHWBXSA-N 3 2 211.353 0.527 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000414933704 398114492 /nfs/dbraw/zinc/11/44/92/398114492.db2.gz SGCPGZZJSZMHQU-QJPTWQEYSA-N 2 2 222.336 0.859 20 0 BCADLP CC(C)NC(=O)C[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000125007650 167047626 /nfs/dbraw/zinc/04/76/26/167047626.db2.gz WFZQHMDNHVTPGG-GFCCVEGCSA-N 2 2 241.379 0.927 20 0 BCADLP CC(C)NC(=O)C[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000125007650 167047628 /nfs/dbraw/zinc/04/76/28/167047628.db2.gz WFZQHMDNHVTPGG-GFCCVEGCSA-N 2 2 241.379 0.927 20 0 BCADLP CC(C)NC(=O)C[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000125007650 167047629 /nfs/dbraw/zinc/04/76/29/167047629.db2.gz WFZQHMDNHVTPGG-GFCCVEGCSA-N 2 2 241.379 0.927 20 0 BCADLP CC(C)NC(=O)C[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000125007650 167047631 /nfs/dbraw/zinc/04/76/31/167047631.db2.gz WFZQHMDNHVTPGG-GFCCVEGCSA-N 2 2 241.379 0.927 20 0 BCADLP COCCOCC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000070028334 174354054 /nfs/dbraw/zinc/35/40/54/174354054.db2.gz WZBUWKHZICSMFU-JTQLQIEISA-N 2 2 202.298 0.073 20 0 BCADLP COCCOCC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000070028334 174354056 /nfs/dbraw/zinc/35/40/56/174354056.db2.gz WZBUWKHZICSMFU-JTQLQIEISA-N 2 2 202.298 0.073 20 0 BCADLP CC(C)[NH2+]CC[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000366209626 167104861 /nfs/dbraw/zinc/10/48/61/167104861.db2.gz VUEWERSUNDBKOG-UHFFFAOYSA-N 2 2 239.363 0.587 20 0 BCADLP CC[C@]1(C)C[C@@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000162453417 487571880 /nfs/dbraw/zinc/57/18/80/487571880.db2.gz WSQZJFJZFNTRPZ-DMDPSCGWSA-N 2 2 239.363 0.524 20 0 BCADLP CC[C@]1(C)C[C@@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000162453417 487571889 /nfs/dbraw/zinc/57/18/89/487571889.db2.gz WSQZJFJZFNTRPZ-DMDPSCGWSA-N 2 2 239.363 0.524 20 0 BCADLP CC[C@]1(C)C[C@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000162453657 487572117 /nfs/dbraw/zinc/57/21/17/487572117.db2.gz WSQZJFJZFNTRPZ-GMXVVIOVSA-N 2 2 239.363 0.524 20 0 BCADLP CC[C@]1(C)C[C@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000162453657 487572121 /nfs/dbraw/zinc/57/21/21/487572121.db2.gz WSQZJFJZFNTRPZ-GMXVVIOVSA-N 2 2 239.363 0.524 20 0 BCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH+](C)C ZINC000672741275 487583686 /nfs/dbraw/zinc/58/36/86/487583686.db2.gz STKPCQJEUXIVRQ-SECBINFHSA-N 2 2 224.308 0.029 20 0 BCADLP COc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)nn1 ZINC000383154727 487589196 /nfs/dbraw/zinc/58/91/96/487589196.db2.gz KKSPPSPFAJFYPY-UWVGGRQHSA-N 2 2 234.303 0.136 20 0 BCADLP C[C@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@H]1C ZINC000653092778 487592923 /nfs/dbraw/zinc/59/29/23/487592923.db2.gz KZRXPHQWBOOWTR-OUAUKWLOSA-N 2 2 227.352 0.380 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2snnc2C)C1 ZINC000308972914 487603233 /nfs/dbraw/zinc/60/32/33/487603233.db2.gz HHZRLUSGIVXWPC-VIFPVBQESA-N 2 2 226.349 0.888 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2snnc2C)C1 ZINC000308972914 487603239 /nfs/dbraw/zinc/60/32/39/487603239.db2.gz HHZRLUSGIVXWPC-VIFPVBQESA-N 2 2 226.349 0.888 20 0 BCADLP CN1CCC[C@H]([NH2+]CC2([NH3+])CCC2)C1=O ZINC000662265112 409559166 /nfs/dbraw/zinc/55/91/66/409559166.db2.gz FWAYFGWXWONXAA-VIFPVBQESA-N 2 2 211.309 0.078 20 0 BCADLP c1cc(C[NH2+][C@H]2CC[NH2+]C2)c2c(c1)C[NH2+]CC2 ZINC000662263671 409562312 /nfs/dbraw/zinc/56/23/12/409562312.db2.gz CVWFGJZZKSPRKX-ZDUSSCGKSA-N 3 2 231.343 0.784 20 0 BCADLP CO[C@H](C[N@@H+]1CCO[C@@H](C[NH3+])C1)C1CCCC1 ZINC000662266538 409566860 /nfs/dbraw/zinc/56/68/60/409566860.db2.gz MXKXCXGOIWMNTK-QWHCGFSZSA-N 2 2 242.363 0.851 20 0 BCADLP CO[C@H](C[N@H+]1CCO[C@@H](C[NH3+])C1)C1CCCC1 ZINC000662266538 409566865 /nfs/dbraw/zinc/56/68/65/409566865.db2.gz MXKXCXGOIWMNTK-QWHCGFSZSA-N 2 2 242.363 0.851 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)CCc1nnn(C(C)(C)C)n1 ZINC000662244328 409538459 /nfs/dbraw/zinc/53/84/59/409538459.db2.gz MMJZNXGJOOGRAN-SECBINFHSA-N 2 2 240.355 0.250 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)CCc1nnn(C(C)(C)C)n1 ZINC000662244328 409538467 /nfs/dbraw/zinc/53/84/67/409538467.db2.gz MMJZNXGJOOGRAN-SECBINFHSA-N 2 2 240.355 0.250 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N(CC(F)F)C1CC1 ZINC000653087692 409618485 /nfs/dbraw/zinc/61/84/85/409618485.db2.gz CPLWUUSMOSIRRN-VIFPVBQESA-N 2 2 249.305 0.522 20 0 BCADLP [NH3+]CC[N@H+](CCCC1CCC1)C[C@H](O)CO ZINC000662285537 409618713 /nfs/dbraw/zinc/61/87/13/409618713.db2.gz CTFPBTORWLZGTO-LBPRGKRZSA-N 2 2 230.352 0.181 20 0 BCADLP [NH3+]CC[N@@H+](CCCC1CCC1)C[C@H](O)CO ZINC000662285537 409618716 /nfs/dbraw/zinc/61/87/16/409618716.db2.gz CTFPBTORWLZGTO-LBPRGKRZSA-N 2 2 230.352 0.181 20 0 BCADLP C[C@H]1CSCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653090428 409631080 /nfs/dbraw/zinc/63/10/80/409631080.db2.gz PCVRFFANIVYOLU-UWVGGRQHSA-N 2 2 245.392 0.229 20 0 BCADLP CCN(CC1CC1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653090536 409631292 /nfs/dbraw/zinc/63/12/92/409631292.db2.gz RYBIDIRQMZOBHL-LLVKDONJSA-N 2 2 227.352 0.524 20 0 BCADLP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ncn1 ZINC000662273233 409581182 /nfs/dbraw/zinc/58/11/82/409581182.db2.gz KRHIGQZVMQXTLI-WCQYABFASA-N 2 2 232.331 0.969 20 0 BCADLP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ncn1 ZINC000662273233 409581192 /nfs/dbraw/zinc/58/11/92/409581192.db2.gz KRHIGQZVMQXTLI-WCQYABFASA-N 2 2 232.331 0.969 20 0 BCADLP CC[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653076806 409591014 /nfs/dbraw/zinc/59/10/14/409591014.db2.gz GCTWTVQMEJMVJB-MNOVXSKESA-N 2 2 227.352 0.666 20 0 BCADLP COC[C@H]1CCCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662280875 409599806 /nfs/dbraw/zinc/59/98/06/409599806.db2.gz GOKCWKAZMBTJAE-STQMWFEESA-N 2 2 242.363 0.723 20 0 BCADLP COC[C@H]1CCCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662280875 409599810 /nfs/dbraw/zinc/59/98/10/409599810.db2.gz GOKCWKAZMBTJAE-STQMWFEESA-N 2 2 242.363 0.723 20 0 BCADLP CCC[C@H](CC)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653081563 409600545 /nfs/dbraw/zinc/60/05/45/409600545.db2.gz SQXIIVYOIWZSFE-WDEREUQCSA-N 2 2 229.368 0.960 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCC1(C)C ZINC000653083980 409607313 /nfs/dbraw/zinc/60/73/13/409607313.db2.gz QRYQKSOPAWHXGC-JTQLQIEISA-N 2 2 227.352 0.666 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCC1(C)C ZINC000653083981 409607502 /nfs/dbraw/zinc/60/75/02/409607502.db2.gz QRYQKSOPAWHXGC-SNVBAGLBSA-N 2 2 227.352 0.666 20 0 BCADLP COC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000653095197 409704833 /nfs/dbraw/zinc/70/48/33/409704833.db2.gz CXSZOXVMSHIKLT-QWRGUYRKSA-N 2 2 245.367 0.053 20 0 BCADLP COC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000653095196 409705598 /nfs/dbraw/zinc/70/55/98/409705598.db2.gz CXSZOXVMSHIKLT-MNOVXSKESA-N 2 2 245.367 0.053 20 0 BCADLP COC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000653095195 409705758 /nfs/dbraw/zinc/70/57/58/409705758.db2.gz CXSZOXVMSHIKLT-GHMZBOCLSA-N 2 2 245.367 0.053 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1(C)CCC1 ZINC000653095582 409708777 /nfs/dbraw/zinc/70/87/77/409708777.db2.gz NPKFZRLWEKJSCD-SNVBAGLBSA-N 2 2 227.352 0.572 20 0 BCADLP Cn1c[nH+]c(CN2C[C@H]3CC[N@H+](C)[C@H]3C2)c1 ZINC000660722112 409648489 /nfs/dbraw/zinc/64/84/89/409648489.db2.gz FPEKMEGVCMGGDU-PWSUYJOCSA-N 2 2 220.320 0.556 20 0 BCADLP Cn1c[nH+]c(CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1 ZINC000660722112 409648493 /nfs/dbraw/zinc/64/84/93/409648493.db2.gz FPEKMEGVCMGGDU-PWSUYJOCSA-N 2 2 220.320 0.556 20 0 BCADLP CC[C@H]([NH2+]C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000662359208 409672625 /nfs/dbraw/zinc/67/26/25/409672625.db2.gz XLTPDPXJDCEPNE-NSHDSACASA-N 2 2 246.314 0.949 20 0 BCADLP CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000662381844 409683982 /nfs/dbraw/zinc/68/39/82/409683982.db2.gz HJUXKSRCOBTHRB-VHSXEESVSA-N 2 2 224.308 0.386 20 0 BCADLP CC[C@@H]1C[C@H](C)CN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653092990 409692093 /nfs/dbraw/zinc/69/20/93/409692093.db2.gz RTEDUPODRZMSLA-QJPTWQEYSA-N 2 2 241.379 0.912 20 0 BCADLP CO[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000653099169 409738443 /nfs/dbraw/zinc/73/84/43/409738443.db2.gz HKKMRELQKFHBDP-WDEREUQCSA-N 2 2 245.367 0.053 20 0 BCADLP CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653100825 409780294 /nfs/dbraw/zinc/78/02/94/409780294.db2.gz ZWCDJXBTQDHETP-WOPDTQHZSA-N 2 2 241.379 0.960 20 0 BCADLP Cc1cncc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653119529 409830056 /nfs/dbraw/zinc/83/00/56/409830056.db2.gz MVKZTTKHBBDSQX-LLVKDONJSA-N 2 2 236.319 0.608 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccccn1 ZINC000653105269 409796675 /nfs/dbraw/zinc/79/66/75/409796675.db2.gz OMTHTTQSXZQDGX-VIFPVBQESA-N 2 2 222.292 0.299 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccccn1 ZINC000653105268 409798107 /nfs/dbraw/zinc/79/81/07/409798107.db2.gz OMTHTTQSXZQDGX-SECBINFHSA-N 2 2 222.292 0.299 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCCC1CCC1 ZINC000662664808 409820917 /nfs/dbraw/zinc/82/09/17/409820917.db2.gz DFHAHZBODCCTTL-GFCCVEGCSA-N 2 2 241.379 0.962 20 0 BCADLP CC(C)C[C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653151086 409874198 /nfs/dbraw/zinc/87/41/98/409874198.db2.gz WNMFTQWWLMQLKL-QWRGUYRKSA-N 2 2 229.368 0.816 20 0 BCADLP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@H]1C ZINC000653150445 409874752 /nfs/dbraw/zinc/87/47/52/409874752.db2.gz BKOKXSYFUJCQDB-IJLUTSLNSA-N 2 2 241.379 0.770 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)C[NH2+]C1CC1 ZINC000662900604 409973026 /nfs/dbraw/zinc/97/30/26/409973026.db2.gz RHBBICXXQOMMEW-VIFPVBQESA-N 2 2 236.319 0.832 20 0 BCADLP C[C@@H](NC(=O)C1(C)C[NH2+]C1)c1[nH+]ccn1C ZINC000662932788 409981177 /nfs/dbraw/zinc/98/11/77/409981177.db2.gz FYKDEEZWLGFDLR-MRVPVSSYSA-N 2 2 222.292 0.207 20 0 BCADLP C[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000662969864 409998323 /nfs/dbraw/zinc/99/83/23/409998323.db2.gz RFTRGBLIINQCKZ-NXEZZACHSA-N 2 2 224.308 0.558 20 0 BCADLP C[C@@H]1CCCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653158136 410004175 /nfs/dbraw/zinc/00/41/75/410004175.db2.gz VZLQWVKMJWFHIE-VXGBXAGGSA-N 2 2 241.379 0.914 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CC)C1 ZINC000328142039 487612717 /nfs/dbraw/zinc/61/27/17/487612717.db2.gz BEPYYFPVBVGXNB-QWRGUYRKSA-N 2 2 200.326 0.831 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CC)C1 ZINC000328142039 487612719 /nfs/dbraw/zinc/61/27/19/487612719.db2.gz BEPYYFPVBVGXNB-QWRGUYRKSA-N 2 2 200.326 0.831 20 0 BCADLP CC(C)(C[NH3+])NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655414394 410218295 /nfs/dbraw/zinc/21/82/95/410218295.db2.gz NFRNTAIDLIBLLK-SECBINFHSA-N 2 2 236.319 0.299 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCC(F)(F)C1 ZINC000653198022 410160401 /nfs/dbraw/zinc/16/04/01/410160401.db2.gz FKUABMGFKJGWST-SECBINFHSA-N 2 2 249.305 0.523 20 0 BCADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cn(C)nn1 ZINC000680542910 487614239 /nfs/dbraw/zinc/61/42/39/487614239.db2.gz KZLBKNRZDUELJH-UHFFFAOYSA-N 2 2 246.318 0.566 20 0 BCADLP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1[nH]cc[nH+]1 ZINC000655403011 410207766 /nfs/dbraw/zinc/20/77/66/410207766.db2.gz WWXYKAOBSJJHTB-OPRDCNLKSA-N 2 2 236.319 0.927 20 0 BCADLP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1[nH]cc[nH+]1 ZINC000655403011 410207773 /nfs/dbraw/zinc/20/77/73/410207773.db2.gz WWXYKAOBSJJHTB-OPRDCNLKSA-N 2 2 236.319 0.927 20 0 BCADLP CCOC[C@H](O)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000309100497 410244068 /nfs/dbraw/zinc/24/40/68/410244068.db2.gz IUUIPUVKGNEPEW-WDEREUQCSA-N 2 2 216.325 0.068 20 0 BCADLP CCOC[C@H](O)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000309100497 410244077 /nfs/dbraw/zinc/24/40/77/410244077.db2.gz IUUIPUVKGNEPEW-WDEREUQCSA-N 2 2 216.325 0.068 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CC(=O)N(C)C ZINC000663513173 410283698 /nfs/dbraw/zinc/28/36/98/410283698.db2.gz IYGHGNJYUAOSLT-IUCAKERBSA-N 2 2 201.314 0.051 20 0 BCADLP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655416244 410220773 /nfs/dbraw/zinc/22/07/73/410220773.db2.gz MSEFNYWFOBPSCB-MNOVXSKESA-N 2 2 248.330 0.314 20 0 BCADLP [NH3+]C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000655417375 410224517 /nfs/dbraw/zinc/22/45/17/410224517.db2.gz IOZZMKZZOHBLOY-GHMZBOCLSA-N 2 2 248.330 0.299 20 0 BCADLP CN(CCC[NH3+])C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655418028 410224903 /nfs/dbraw/zinc/22/49/03/410224903.db2.gz NEPITTRLXKHXOT-SNVBAGLBSA-N 2 2 236.319 0.253 20 0 BCADLP [NH3+]C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000655417376 410225061 /nfs/dbraw/zinc/22/50/61/410225061.db2.gz IOZZMKZZOHBLOY-MNOVXSKESA-N 2 2 248.330 0.299 20 0 BCADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc[nH]n1)C2 ZINC000650709376 410339096 /nfs/dbraw/zinc/33/90/96/410339096.db2.gz WZRHIENSDRSHCT-JQWIXIFHSA-N 2 2 220.320 0.971 20 0 BCADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc[nH]n1)C2 ZINC000650709376 410339102 /nfs/dbraw/zinc/33/91/02/410339102.db2.gz WZRHIENSDRSHCT-JQWIXIFHSA-N 2 2 220.320 0.971 20 0 BCADLP CCO[C@@H]1C[N@H+](C[C@H]([NH3+])CC(C)C)C[C@H]1C[NH3+] ZINC000650714677 410347321 /nfs/dbraw/zinc/34/73/21/410347321.db2.gz XYTVKZWVRSLJEI-JHJVBQTASA-N 3 2 243.395 0.655 20 0 BCADLP CCO[C@@H]1C[N@@H+](C[C@H]([NH3+])CC(C)C)C[C@H]1C[NH3+] ZINC000650714677 410347329 /nfs/dbraw/zinc/34/73/29/410347329.db2.gz XYTVKZWVRSLJEI-JHJVBQTASA-N 3 2 243.395 0.655 20 0 BCADLP CCO[C@@H]1C[N@H+](C[C@@H]([NH3+])CC(C)C)C[C@H]1C[NH3+] ZINC000650714676 410348577 /nfs/dbraw/zinc/34/85/77/410348577.db2.gz XYTVKZWVRSLJEI-FRRDWIJNSA-N 3 2 243.395 0.655 20 0 BCADLP CCO[C@@H]1C[N@@H+](C[C@@H]([NH3+])CC(C)C)C[C@H]1C[NH3+] ZINC000650714676 410348586 /nfs/dbraw/zinc/34/85/86/410348586.db2.gz XYTVKZWVRSLJEI-FRRDWIJNSA-N 3 2 243.395 0.655 20 0 BCADLP [NH3+]C1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CCC1 ZINC000655452198 410292974 /nfs/dbraw/zinc/29/29/74/410292974.db2.gz FLCHFZITXFATDA-JTQLQIEISA-N 2 2 248.330 0.443 20 0 BCADLP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000650720679 410359465 /nfs/dbraw/zinc/35/94/65/410359465.db2.gz YINMDSVNHZIONX-CYBMUJFWSA-N 3 2 219.332 0.858 20 0 BCADLP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)C1C[NH2+]C1 ZINC000650755803 410400289 /nfs/dbraw/zinc/40/02/89/410400289.db2.gz NHQJFKSYRJTRMX-SECBINFHSA-N 3 2 237.322 0.982 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650764301 410414344 /nfs/dbraw/zinc/41/43/44/410414344.db2.gz VLDVBSSKJDTIRM-YPMHNXCESA-N 3 2 225.380 0.916 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650764301 410414350 /nfs/dbraw/zinc/41/43/50/410414350.db2.gz VLDVBSSKJDTIRM-YPMHNXCESA-N 3 2 225.380 0.916 20 0 BCADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC([NH3+])C1 ZINC000655466116 410666265 /nfs/dbraw/zinc/66/62/65/410666265.db2.gz LNIIEMGJDPTVMT-WHXUTIOJSA-N 2 2 248.330 0.394 20 0 BCADLP Cn1cc[nH+]c1CN1CCC(C)([NH3+])CC1 ZINC000393749057 410756759 /nfs/dbraw/zinc/75/67/59/410756759.db2.gz AOTFHIISSHVNQQ-UHFFFAOYSA-N 2 2 208.309 0.733 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCSCC1 ZINC000393760859 410760743 /nfs/dbraw/zinc/76/07/43/410760743.db2.gz LNYLPOORJWOFPE-NSHDSACASA-N 2 2 232.393 0.736 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCSCC1 ZINC000393760859 410760748 /nfs/dbraw/zinc/76/07/48/410760748.db2.gz LNYLPOORJWOFPE-NSHDSACASA-N 2 2 232.393 0.736 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCSCC1 ZINC000393760857 410760851 /nfs/dbraw/zinc/76/08/51/410760851.db2.gz LNYLPOORJWOFPE-LLVKDONJSA-N 2 2 232.393 0.736 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCSCC1 ZINC000393760857 410760856 /nfs/dbraw/zinc/76/08/56/410760856.db2.gz LNYLPOORJWOFPE-LLVKDONJSA-N 2 2 232.393 0.736 20 0 BCADLP CC(C)N1CC[C@H]([N@@H+]2CCC[NH2+]CC2)C1=O ZINC000336626428 167024931 /nfs/dbraw/zinc/02/49/31/167024931.db2.gz VGKQOUMFZNTBOC-NSHDSACASA-N 2 2 225.336 0.291 20 0 BCADLP CC(C)N1CC[C@H]([N@H+]2CCC[NH2+]CC2)C1=O ZINC000336626428 167024932 /nfs/dbraw/zinc/02/49/32/167024932.db2.gz VGKQOUMFZNTBOC-NSHDSACASA-N 2 2 225.336 0.291 20 0 BCADLP CC(C)NC(=O)CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336655642 167044743 /nfs/dbraw/zinc/04/47/43/167044743.db2.gz HQCBFLBCMNHTHZ-GHMZBOCLSA-N 2 2 227.352 0.441 20 0 BCADLP CC(C)NC(=O)CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336655642 167044746 /nfs/dbraw/zinc/04/47/46/167044746.db2.gz HQCBFLBCMNHTHZ-GHMZBOCLSA-N 2 2 227.352 0.441 20 0 BCADLP CC(C)NC(=O)C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000125007393 167048930 /nfs/dbraw/zinc/04/89/30/167048930.db2.gz WFZQHMDNHVTPGG-LBPRGKRZSA-N 2 2 241.379 0.927 20 0 BCADLP CC(C)NC(=O)C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000125007393 167048933 /nfs/dbraw/zinc/04/89/33/167048933.db2.gz WFZQHMDNHVTPGG-LBPRGKRZSA-N 2 2 241.379 0.927 20 0 BCADLP CC(C)NC(=O)C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000125007393 167048935 /nfs/dbraw/zinc/04/89/35/167048935.db2.gz WFZQHMDNHVTPGG-LBPRGKRZSA-N 2 2 241.379 0.927 20 0 BCADLP CC(C)NC(=O)C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000125007393 167048940 /nfs/dbraw/zinc/04/89/40/167048940.db2.gz WFZQHMDNHVTPGG-LBPRGKRZSA-N 2 2 241.379 0.927 20 0 BCADLP CC(C)[C@@H](C(=O)NCc1[nH]cc[nH+]1)[NH+](C)C ZINC000151224559 167345051 /nfs/dbraw/zinc/34/50/51/167345051.db2.gz BILUBROYDQESOW-JTQLQIEISA-N 2 2 224.308 0.612 20 0 BCADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107574621 167371996 /nfs/dbraw/zinc/37/19/96/167371996.db2.gz KEHTUEKKCACYHL-UTUOFQBUSA-N 2 2 239.363 0.298 20 0 BCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107574621 167371998 /nfs/dbraw/zinc/37/19/98/167371998.db2.gz KEHTUEKKCACYHL-UTUOFQBUSA-N 2 2 239.363 0.298 20 0 BCADLP CC(C)[C@@H](C[NH3+])C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000044806104 167396748 /nfs/dbraw/zinc/39/67/48/167396748.db2.gz HAZUVHZVVXXQFA-WDEREUQCSA-N 2 2 238.335 0.619 20 0 BCADLP O=C1CC[C@H]2C[N@H+](CCn3cc[nH+]c3)CC[C@H]2N1 ZINC000661596155 410984853 /nfs/dbraw/zinc/98/48/53/410984853.db2.gz ARJKBNSZAABOLM-NWDGAFQWSA-N 2 2 248.330 0.484 20 0 BCADLP O=C1CC[C@H]2C[N@@H+](CCn3cc[nH+]c3)CC[C@H]2N1 ZINC000661596155 410984856 /nfs/dbraw/zinc/98/48/56/410984856.db2.gz ARJKBNSZAABOLM-NWDGAFQWSA-N 2 2 248.330 0.484 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+][C@H](CO)CCF)n1C ZINC000652018208 410989354 /nfs/dbraw/zinc/98/93/54/410989354.db2.gz NJPPBYZZFYNZPJ-VIFPVBQESA-N 2 2 244.314 0.296 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000399013762 411010182 /nfs/dbraw/zinc/01/01/82/411010182.db2.gz ZYAYGOJMGIPWEJ-SNVBAGLBSA-N 2 2 222.292 0.462 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C2COCCOC2)CC[N@@H+]1C ZINC000309327294 411028797 /nfs/dbraw/zinc/02/87/97/411028797.db2.gz RQOGEZNKODRGHT-MNOVXSKESA-N 2 2 228.336 0.474 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C2COCCOC2)CC[N@H+]1C ZINC000309327294 411028801 /nfs/dbraw/zinc/02/88/01/411028801.db2.gz RQOGEZNKODRGHT-MNOVXSKESA-N 2 2 228.336 0.474 20 0 BCADLP C[C@H]1C[C@H]([NH2+]C2COCCOC2)CC[N@@H+]1C ZINC000309327299 411029389 /nfs/dbraw/zinc/02/93/89/411029389.db2.gz RQOGEZNKODRGHT-WDEREUQCSA-N 2 2 228.336 0.474 20 0 BCADLP C[C@H]1C[C@H]([NH2+]C2COCCOC2)CC[N@H+]1C ZINC000309327299 411029390 /nfs/dbraw/zinc/02/93/90/411029390.db2.gz RQOGEZNKODRGHT-WDEREUQCSA-N 2 2 228.336 0.474 20 0 BCADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnnn1C ZINC000651866008 411148185 /nfs/dbraw/zinc/14/81/85/411148185.db2.gz QBJBQACLVTYOJH-UHFFFAOYSA-N 2 2 239.367 0.883 20 0 BCADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnnn1C ZINC000651866008 411148186 /nfs/dbraw/zinc/14/81/86/411148186.db2.gz QBJBQACLVTYOJH-UHFFFAOYSA-N 2 2 239.367 0.883 20 0 BCADLP c1c[nH+]c(N2CC[NH+](C[C@@H]3CCCO3)CC2)[nH]1 ZINC000653646313 411153359 /nfs/dbraw/zinc/15/33/59/411153359.db2.gz FATDWXQMUAOHLW-NSHDSACASA-N 2 2 236.319 0.711 20 0 BCADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000651939370 411153447 /nfs/dbraw/zinc/15/34/47/411153447.db2.gz CPVWOHIRTYJDAM-JGZJWPJOSA-N 2 2 248.330 0.501 20 0 BCADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)C[N@@H+]1C1CC1 ZINC000651940051 411155786 /nfs/dbraw/zinc/15/57/86/411155786.db2.gz ZKZTXFYIMIXBMM-MMWGEVLESA-N 2 2 237.347 0.465 20 0 BCADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)C[N@H+]1C1CC1 ZINC000651940051 411155790 /nfs/dbraw/zinc/15/57/90/411155790.db2.gz ZKZTXFYIMIXBMM-MMWGEVLESA-N 2 2 237.347 0.465 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)C[N@@H+]1C1CC1 ZINC000651940053 411155912 /nfs/dbraw/zinc/15/59/12/411155912.db2.gz ZKZTXFYIMIXBMM-ZNSHCXBVSA-N 2 2 237.347 0.465 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)C[N@H+]1C1CC1 ZINC000651940053 411155915 /nfs/dbraw/zinc/15/59/15/411155915.db2.gz ZKZTXFYIMIXBMM-ZNSHCXBVSA-N 2 2 237.347 0.465 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC[C@@]1(O)CCOC1 ZINC000651943183 411157006 /nfs/dbraw/zinc/15/70/06/411157006.db2.gz IXOQYBATFAZRBF-GRYCIOLGSA-N 2 2 228.336 0.068 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC[C@@]1(O)CCOC1 ZINC000651943183 411157011 /nfs/dbraw/zinc/15/70/11/411157011.db2.gz IXOQYBATFAZRBF-GRYCIOLGSA-N 2 2 228.336 0.068 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000309381020 411120778 /nfs/dbraw/zinc/12/07/78/411120778.db2.gz DIDQKLCHAYJUDQ-QJPTWQEYSA-N 3 2 211.353 0.655 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000309381020 411120783 /nfs/dbraw/zinc/12/07/83/411120783.db2.gz DIDQKLCHAYJUDQ-QJPTWQEYSA-N 3 2 211.353 0.655 20 0 BCADLP O=C1C[C@@H]([NH2+]CCCn2cc[nH+]c2)CCCN1 ZINC000111827946 411181513 /nfs/dbraw/zinc/18/15/13/411181513.db2.gz HRFQEJSRSNEEFX-NSHDSACASA-N 2 2 236.319 0.532 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658093498 411243588 /nfs/dbraw/zinc/24/35/88/411243588.db2.gz VDBSZGURZFXAPC-ZJUUUORDSA-N 2 2 227.352 0.713 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658093498 411243591 /nfs/dbraw/zinc/24/35/91/411243591.db2.gz VDBSZGURZFXAPC-ZJUUUORDSA-N 2 2 227.352 0.713 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658093494 411243800 /nfs/dbraw/zinc/24/38/00/411243800.db2.gz VDBSZGURZFXAPC-VHSXEESVSA-N 2 2 227.352 0.713 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658093494 411243801 /nfs/dbraw/zinc/24/38/01/411243801.db2.gz VDBSZGURZFXAPC-VHSXEESVSA-N 2 2 227.352 0.713 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000656151924 411186620 /nfs/dbraw/zinc/18/66/20/411186620.db2.gz OXLSXUCBDVHVSS-YPMHNXCESA-N 2 2 242.363 0.267 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000656151924 411186622 /nfs/dbraw/zinc/18/66/22/411186622.db2.gz OXLSXUCBDVHVSS-YPMHNXCESA-N 2 2 242.363 0.267 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC(C(C)C)C1 ZINC000656151705 411187348 /nfs/dbraw/zinc/18/73/48/411187348.db2.gz BOHOZWCXYPUDIF-ZDUSSCGKSA-N 2 2 244.379 0.513 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC(C(C)C)C1 ZINC000656151705 411187350 /nfs/dbraw/zinc/18/73/50/411187350.db2.gz BOHOZWCXYPUDIF-ZDUSSCGKSA-N 2 2 244.379 0.513 20 0 BCADLP COc1c(N)[nH+]cnc1NCC1=CC[N@H+](C)CC1 ZINC000656154756 411188688 /nfs/dbraw/zinc/18/86/88/411188688.db2.gz SXUFQUPIBUNROL-UHFFFAOYSA-N 2 2 249.318 0.741 20 0 BCADLP COc1c(N)[nH+]cnc1NCC1=CC[N@@H+](C)CC1 ZINC000656154756 411188689 /nfs/dbraw/zinc/18/86/89/411188689.db2.gz SXUFQUPIBUNROL-UHFFFAOYSA-N 2 2 249.318 0.741 20 0 BCADLP COc1c(N)nc[nH+]c1NCC1=CC[N@H+](C)CC1 ZINC000656154756 411188691 /nfs/dbraw/zinc/18/86/91/411188691.db2.gz SXUFQUPIBUNROL-UHFFFAOYSA-N 2 2 249.318 0.741 20 0 BCADLP COc1c(N)nc[nH+]c1NCC1=CC[N@@H+](C)CC1 ZINC000656154756 411188692 /nfs/dbraw/zinc/18/86/92/411188692.db2.gz SXUFQUPIBUNROL-UHFFFAOYSA-N 2 2 249.318 0.741 20 0 BCADLP C[C@@H](Cc1ccccn1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000656193417 411198223 /nfs/dbraw/zinc/19/82/23/411198223.db2.gz LDEGLGBKSOOHSZ-CMPLNLGQSA-N 2 2 205.305 0.964 20 0 BCADLP Cn1cc[nH+]c1CN[C@@H](C[NH3+])C(F)(F)F ZINC000656196466 411200703 /nfs/dbraw/zinc/20/07/03/411200703.db2.gz UVYGHHOXMHBXFB-LURJTMIESA-N 2 2 222.214 0.399 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000652339741 411205954 /nfs/dbraw/zinc/20/59/54/411205954.db2.gz KNUYJHUFYNTWCP-GHMZBOCLSA-N 2 2 234.347 0.998 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000652339741 411205955 /nfs/dbraw/zinc/20/59/55/411205955.db2.gz KNUYJHUFYNTWCP-GHMZBOCLSA-N 2 2 234.347 0.998 20 0 BCADLP C[NH2+]C[C@](C)(O)C[NH2+][C@@H](C)c1ccccn1 ZINC000652341398 411207112 /nfs/dbraw/zinc/20/71/12/411207112.db2.gz MSDKABMGADHGBL-JQWIXIFHSA-N 2 2 223.320 0.703 20 0 BCADLP C[N@H+](Cc1cnc(N)s1)C1CC[NH2+]CC1 ZINC000390546139 411245779 /nfs/dbraw/zinc/24/57/79/411245779.db2.gz MUYDEAFHJDYWEE-UHFFFAOYSA-N 2 2 226.349 0.909 20 0 BCADLP C[N@@H+](Cc1cnc(N)s1)C1CC[NH2+]CC1 ZINC000390546139 411245782 /nfs/dbraw/zinc/24/57/82/411245782.db2.gz MUYDEAFHJDYWEE-UHFFFAOYSA-N 2 2 226.349 0.909 20 0 BCADLP C[C@@H]1CCC[N@H+](Cc2nnnn2C)[C@H]1CC[NH3+] ZINC000652356127 411214546 /nfs/dbraw/zinc/21/45/46/411214546.db2.gz SQDXZPKUOZGQQW-ZJUUUORDSA-N 2 2 238.339 0.159 20 0 BCADLP C[C@@H]1CCC[N@@H+](Cc2nnnn2C)[C@H]1CC[NH3+] ZINC000652356127 411214549 /nfs/dbraw/zinc/21/45/49/411214549.db2.gz SQDXZPKUOZGQQW-ZJUUUORDSA-N 2 2 238.339 0.159 20 0 BCADLP C[C@@H](O)C[N@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000653902501 411218474 /nfs/dbraw/zinc/21/84/74/411218474.db2.gz UYCPKQVTWWUPIR-SNVBAGLBSA-N 2 2 223.320 0.808 20 0 BCADLP C[C@@H](O)C[N@@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000653902501 411218478 /nfs/dbraw/zinc/21/84/78/411218478.db2.gz UYCPKQVTWWUPIR-SNVBAGLBSA-N 2 2 223.320 0.808 20 0 BCADLP C[C@@H](O)C[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000653903444 411218565 /nfs/dbraw/zinc/21/85/65/411218565.db2.gz HZGUFMZFQOBJIQ-ZWNOBZJWSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@@H](O)C[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000653903444 411218568 /nfs/dbraw/zinc/21/85/68/411218568.db2.gz HZGUFMZFQOBJIQ-ZWNOBZJWSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@@H](O)C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000653903444 411218571 /nfs/dbraw/zinc/21/85/71/411218571.db2.gz HZGUFMZFQOBJIQ-ZWNOBZJWSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@@H](O)C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000653903444 411218574 /nfs/dbraw/zinc/21/85/74/411218574.db2.gz HZGUFMZFQOBJIQ-ZWNOBZJWSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000583935223 411246982 /nfs/dbraw/zinc/24/69/82/411246982.db2.gz YBAVMKCPYCGZQT-NXEZZACHSA-N 2 2 235.335 0.585 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000583935223 411246984 /nfs/dbraw/zinc/24/69/84/411246984.db2.gz YBAVMKCPYCGZQT-NXEZZACHSA-N 2 2 235.335 0.585 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658054296 411224518 /nfs/dbraw/zinc/22/45/18/411224518.db2.gz CZPCMCUSIKDCQW-UWVGGRQHSA-N 2 2 227.352 0.713 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658054296 411224520 /nfs/dbraw/zinc/22/45/20/411224520.db2.gz CZPCMCUSIKDCQW-UWVGGRQHSA-N 2 2 227.352 0.713 20 0 BCADLP CCC(C)(C)NC(=O)C[N@H+](C)CCC[NH3+] ZINC000049281615 411228891 /nfs/dbraw/zinc/22/88/91/411228891.db2.gz JAIAUXNMUVULIP-UHFFFAOYSA-N 2 2 215.341 0.572 20 0 BCADLP CCC(C)(C)NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000049281615 411228895 /nfs/dbraw/zinc/22/88/95/411228895.db2.gz JAIAUXNMUVULIP-UHFFFAOYSA-N 2 2 215.341 0.572 20 0 BCADLP Cn1cnnc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000310486146 411239876 /nfs/dbraw/zinc/23/98/76/411239876.db2.gz FZGGEYPZIOQEDU-JQWIXIFHSA-N 2 2 235.335 0.376 20 0 BCADLP Cn1cnnc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000310486146 411239880 /nfs/dbraw/zinc/23/98/80/411239880.db2.gz FZGGEYPZIOQEDU-JQWIXIFHSA-N 2 2 235.335 0.376 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000070645710 411271362 /nfs/dbraw/zinc/27/13/62/411271362.db2.gz RSXLGZMNAOENDM-QMMMGPOBSA-N 2 2 208.265 0.120 20 0 BCADLP C[C@H]([NH2+][C@H]1C[NH2+]C[C@@H](C)C1)C(=O)N(C)C ZINC000401654897 411272779 /nfs/dbraw/zinc/27/27/79/411272779.db2.gz SQTDGZCODUWCRP-LPEHRKFASA-N 2 2 213.325 0.051 20 0 BCADLP Nc1cc(CN2C[C@@H]3C[C@H]2C[NH2+]3)cc[nH+]1 ZINC000631848369 411275419 /nfs/dbraw/zinc/27/54/19/411275419.db2.gz WEFNBEPFRZOSCP-UWVGGRQHSA-N 2 2 204.277 0.210 20 0 BCADLP CC(C)C[C@@H](CO)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000658179048 411283815 /nfs/dbraw/zinc/28/38/15/411283815.db2.gz SXTNGWLDVQRKCE-WOPDTQHZSA-N 2 2 214.353 0.933 20 0 BCADLP CC(C)C[C@@H](CO)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000658179048 411283819 /nfs/dbraw/zinc/28/38/19/411283819.db2.gz SXTNGWLDVQRKCE-WOPDTQHZSA-N 2 2 214.353 0.933 20 0 BCADLP CCNC(=O)C[N@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC000051889722 411285534 /nfs/dbraw/zinc/28/55/34/411285534.db2.gz VWJKUXIEBRVSFN-SNVBAGLBSA-N 2 2 213.325 0.054 20 0 BCADLP CCNC(=O)C[N@@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC000051889722 411285536 /nfs/dbraw/zinc/28/55/36/411285536.db2.gz VWJKUXIEBRVSFN-SNVBAGLBSA-N 2 2 213.325 0.054 20 0 BCADLP C[C@H](CCO)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655723922 411297217 /nfs/dbraw/zinc/29/72/17/411297217.db2.gz JIVOZAWVXSVWDR-DGCLKSJQSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H](O)[C@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000661764170 411308452 /nfs/dbraw/zinc/30/84/52/411308452.db2.gz AOUZOIWPOOTEDY-ZYHUDNBSSA-N 2 2 223.320 0.808 20 0 BCADLP C[C@@H](O)[C@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000661764170 411308454 /nfs/dbraw/zinc/30/84/54/411308454.db2.gz AOUZOIWPOOTEDY-ZYHUDNBSSA-N 2 2 223.320 0.808 20 0 BCADLP COC(=O)N1CC([NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000496623161 411312877 /nfs/dbraw/zinc/31/28/77/411312877.db2.gz LYSUAAREPWYXHS-ONGXEEELSA-N 2 2 241.335 0.557 20 0 BCADLP CN(C)CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655768481 411250829 /nfs/dbraw/zinc/25/08/29/411250829.db2.gz FSVFBIZQYVPQRM-CYBMUJFWSA-N 2 2 241.379 0.391 20 0 BCADLP O[C@H]1C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655774415 411257139 /nfs/dbraw/zinc/25/71/39/411257139.db2.gz AZXJWDYIGFSKAN-UPJWGTAASA-N 2 2 240.347 0.353 20 0 BCADLP CC[N@H+](C)C[C@@H](O)CN(C)Cc1[nH]cc[nH+]1 ZINC000660142511 411258253 /nfs/dbraw/zinc/25/82/53/411258253.db2.gz GIVQKZFGTFJUIZ-SNVBAGLBSA-N 2 2 226.324 0.154 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)CN(C)Cc1[nH]cc[nH+]1 ZINC000660142511 411258257 /nfs/dbraw/zinc/25/82/57/411258257.db2.gz GIVQKZFGTFJUIZ-SNVBAGLBSA-N 2 2 226.324 0.154 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C/C=C\CO ZINC000658134364 411259086 /nfs/dbraw/zinc/25/90/86/411259086.db2.gz QGQDWUNEVVBFRM-UVWWULRDSA-N 2 2 210.321 0.607 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C/C=C\CO ZINC000658134364 411259091 /nfs/dbraw/zinc/25/90/91/411259091.db2.gz QGQDWUNEVVBFRM-UVWWULRDSA-N 2 2 210.321 0.607 20 0 BCADLP C[NH+]1CCC([NH2+]CC2([NH3+])CCCC2)CC1 ZINC000656788723 411367642 /nfs/dbraw/zinc/36/76/42/411367642.db2.gz BROPBRXAUBJDKL-UHFFFAOYSA-N 3 2 211.353 0.942 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)C[C@H]1COCCO1 ZINC000656791355 411370503 /nfs/dbraw/zinc/37/05/03/411370503.db2.gz ZHLLBIRZGDZAKU-NEPJUHHUSA-N 2 2 230.352 0.707 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)C[C@H]1COCCO1 ZINC000656791355 411370504 /nfs/dbraw/zinc/37/05/04/411370504.db2.gz ZHLLBIRZGDZAKU-NEPJUHHUSA-N 2 2 230.352 0.707 20 0 BCADLP COCCC1C[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000656703005 411339162 /nfs/dbraw/zinc/33/91/62/411339162.db2.gz NMRGJKUBVBHENL-CYBMUJFWSA-N 2 2 244.379 0.656 20 0 BCADLP COCCC1C[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000656703005 411339163 /nfs/dbraw/zinc/33/91/63/411339163.db2.gz NMRGJKUBVBHENL-CYBMUJFWSA-N 2 2 244.379 0.656 20 0 BCADLP CC1(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)COC1 ZINC000336778695 168044830 /nfs/dbraw/zinc/04/48/30/168044830.db2.gz MBCJBNVRLLTKBO-SECBINFHSA-N 2 2 221.304 0.893 20 0 BCADLP CC1(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)COC1 ZINC000336778695 168044833 /nfs/dbraw/zinc/04/48/33/168044833.db2.gz MBCJBNVRLLTKBO-SECBINFHSA-N 2 2 221.304 0.893 20 0 BCADLP CC[NH+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000654366035 411378601 /nfs/dbraw/zinc/37/86/01/411378601.db2.gz HAACYAHCJCKHCE-UHFFFAOYSA-N 2 2 239.363 0.492 20 0 BCADLP CCC(C)(C)NC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000036754592 168290487 /nfs/dbraw/zinc/29/04/87/168290487.db2.gz QBALTRKWEYKEML-UHFFFAOYSA-N 2 2 227.352 0.714 20 0 BCADLP O=C1NCCCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657305577 411456651 /nfs/dbraw/zinc/45/66/51/411456651.db2.gz GPNAHKPGQJNMAF-NSHDSACASA-N 2 2 248.330 0.588 20 0 BCADLP c1[nH+]c2n(c1C[NH2+]C[C@@H]1CCOC1)CCC2 ZINC000657308775 411458168 /nfs/dbraw/zinc/45/81/68/411458168.db2.gz BRVFZGPPABBLOY-JTQLQIEISA-N 2 2 221.304 0.955 20 0 BCADLP C[C@H]1CCC[N@H+](Cc2cn(C)nn2)[C@@H]1CC[NH3+] ZINC000404382566 411392225 /nfs/dbraw/zinc/39/22/25/411392225.db2.gz NANZHDXOBOXTGE-CMPLNLGQSA-N 2 2 237.351 0.764 20 0 BCADLP C[C@H]1CCC[N@@H+](Cc2cn(C)nn2)[C@@H]1CC[NH3+] ZINC000404382566 411392228 /nfs/dbraw/zinc/39/22/28/411392228.db2.gz NANZHDXOBOXTGE-CMPLNLGQSA-N 2 2 237.351 0.764 20 0 BCADLP C[C@H]1CCC[N@H+](Cc2ncnn2C)[C@H]1CC[NH3+] ZINC000404372114 411392489 /nfs/dbraw/zinc/39/24/89/411392489.db2.gz JINLGAOMDGZCPR-QWRGUYRKSA-N 2 2 237.351 0.764 20 0 BCADLP C[C@H]1CCC[N@@H+](Cc2ncnn2C)[C@H]1CC[NH3+] ZINC000404372114 411392492 /nfs/dbraw/zinc/39/24/92/411392492.db2.gz JINLGAOMDGZCPR-QWRGUYRKSA-N 2 2 237.351 0.764 20 0 BCADLP CC1CCC(NC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653346171 411400637 /nfs/dbraw/zinc/40/06/37/411400637.db2.gz LIJCRIYHKNKEIY-HTAVTVPLSA-N 2 2 241.379 0.960 20 0 BCADLP CCN(C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657091657 411403258 /nfs/dbraw/zinc/40/32/58/411403258.db2.gz NWPCASFRQVNUOF-UHFFFAOYSA-N 2 2 244.383 0.531 20 0 BCADLP CCN(C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657091657 411403261 /nfs/dbraw/zinc/40/32/61/411403261.db2.gz NWPCASFRQVNUOF-UHFFFAOYSA-N 2 2 244.383 0.531 20 0 BCADLP Nc1ccc(NC(=O)[C@@H]2CCC[NH2+]CC2)c[nH+]1 ZINC000653048645 411403813 /nfs/dbraw/zinc/40/38/13/411403813.db2.gz OXKUMVYUGIMXEQ-SECBINFHSA-N 2 2 234.303 0.822 20 0 BCADLP C[C@@H](CC(=O)N(C)CCC[NH3+])n1cc[nH+]c1 ZINC000653053446 411405778 /nfs/dbraw/zinc/40/57/78/411405778.db2.gz KIOBQFCYROOPOV-JTQLQIEISA-N 2 2 224.308 0.641 20 0 BCADLP CN(Cc1ccccc1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653056188 411407135 /nfs/dbraw/zinc/40/71/35/411407135.db2.gz XSOTWYNOLZOHSL-CYBMUJFWSA-N 2 2 249.358 0.924 20 0 BCADLP CN(Cc1ccccc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653056189 411407240 /nfs/dbraw/zinc/40/72/40/411407240.db2.gz XSOTWYNOLZOHSL-ZDUSSCGKSA-N 2 2 249.358 0.924 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccccc1 ZINC000653055830 411407392 /nfs/dbraw/zinc/40/73/92/411407392.db2.gz NCFCRGPCVUXRBC-GFCCVEGCSA-N 2 2 235.331 0.582 20 0 BCADLP CC1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653057081 411407692 /nfs/dbraw/zinc/40/76/92/411407692.db2.gz NNYZPLXNAUKWER-LLVKDONJSA-N 2 2 227.352 0.524 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1CCCCC1 ZINC000653056436 411408136 /nfs/dbraw/zinc/40/81/36/411408136.db2.gz GKTMGFNLNPXXOE-GFCCVEGCSA-N 2 2 241.379 0.962 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccccc1 ZINC000653056510 411408627 /nfs/dbraw/zinc/40/86/27/411408627.db2.gz KGTOTJXKUYAUHI-NSHDSACASA-N 2 2 221.304 0.904 20 0 BCADLP CC(C)OCCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653057827 411409253 /nfs/dbraw/zinc/40/92/53/411409253.db2.gz RKBSEUNNVAHHGF-LLVKDONJSA-N 2 2 245.367 0.197 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1cccs1 ZINC000653058121 411409392 /nfs/dbraw/zinc/40/93/92/411409392.db2.gz FKTHINNXMIXIOU-SNVBAGLBSA-N 2 2 241.360 0.643 20 0 BCADLP CC(C)OCCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653057828 411409447 /nfs/dbraw/zinc/40/94/47/411409447.db2.gz RKBSEUNNVAHHGF-NSHDSACASA-N 2 2 245.367 0.197 20 0 BCADLP CCCCN(CC)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653057774 411409473 /nfs/dbraw/zinc/40/94/73/411409473.db2.gz PYJPBKDYNLYISC-NSHDSACASA-N 2 2 229.368 0.914 20 0 BCADLP Cc1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653057743 411409605 /nfs/dbraw/zinc/40/96/05/411409605.db2.gz OTHIMQAUSFANQR-CYBMUJFWSA-N 2 2 249.358 0.890 20 0 BCADLP CCCN(CC)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653065178 411410023 /nfs/dbraw/zinc/41/00/23/411410023.db2.gz XAZIJGIUEWGHFN-SNVBAGLBSA-N 2 2 215.341 0.524 20 0 BCADLP CC(C)[C@@H]1CCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653069439 411411488 /nfs/dbraw/zinc/41/14/88/411411488.db2.gz NOTOWDPEDVJKJH-NEPJUHHUSA-N 2 2 241.379 0.912 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccsc1 ZINC000653067972 411411708 /nfs/dbraw/zinc/41/17/08/411411708.db2.gz ROOLEYISQDAKLY-JTQLQIEISA-N 2 2 241.360 0.643 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCC1CCCC1 ZINC000653070147 411412238 /nfs/dbraw/zinc/41/22/38/411412238.db2.gz LPXAQTNRUARXAZ-LBPRGKRZSA-N 2 2 241.379 0.962 20 0 BCADLP CC[C@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653073293 411413652 /nfs/dbraw/zinc/41/36/52/411413652.db2.gz YOQPPAUUYLQDEC-NWDGAFQWSA-N 2 2 241.379 0.914 20 0 BCADLP CCN(CC(C)C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653073230 411413836 /nfs/dbraw/zinc/41/38/36/411413836.db2.gz WHAYVIFQJYLJLV-LLVKDONJSA-N 2 2 229.368 0.770 20 0 BCADLP CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647885740 411415297 /nfs/dbraw/zinc/41/52/97/411415297.db2.gz KXUDMUKUCOTVGM-WDEREUQCSA-N 2 2 248.392 0.351 20 0 BCADLP CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647885740 411415299 /nfs/dbraw/zinc/41/52/99/411415299.db2.gz KXUDMUKUCOTVGM-WDEREUQCSA-N 2 2 248.392 0.351 20 0 BCADLP C[C@@H](CC[NH3+])NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659531177 411429968 /nfs/dbraw/zinc/42/99/68/411429968.db2.gz YFMRAPMNHNODBV-IUCAKERBSA-N 2 2 239.323 0.518 20 0 BCADLP C[NH2+]CCCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659505391 411463031 /nfs/dbraw/zinc/46/30/31/411463031.db2.gz WDGTUQILCGATSQ-VIFPVBQESA-N 2 2 239.323 0.390 20 0 BCADLP COc1ccccc1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000122538640 411434664 /nfs/dbraw/zinc/43/46/64/411434664.db2.gz KMWUHDYBGJLQQF-CYBMUJFWSA-N 2 2 249.358 0.770 20 0 BCADLP COc1ccccc1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000122538640 411434665 /nfs/dbraw/zinc/43/46/65/411434665.db2.gz KMWUHDYBGJLQQF-CYBMUJFWSA-N 2 2 249.358 0.770 20 0 BCADLP C[C@H](NC(=O)N(C)CCC[NH3+])c1[nH+]ccn1C ZINC000659628154 411444182 /nfs/dbraw/zinc/44/41/82/411444182.db2.gz MCAGEIFVDDBZOE-VIFPVBQESA-N 2 2 239.323 0.471 20 0 BCADLP C[C@@H](NC(=O)N(C)[C@H](C)C[NH3+])c1[nH+]ccn1C ZINC000659628359 411444390 /nfs/dbraw/zinc/44/43/90/411444390.db2.gz OXAPWEBWFZYHQX-RKDXNWHRSA-N 2 2 239.323 0.470 20 0 BCADLP C[NH2+]C[C@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000659635572 411444645 /nfs/dbraw/zinc/44/46/45/411444645.db2.gz JQYMLKRCDXMIFN-QMMMGPOBSA-N 2 2 225.296 0.159 20 0 BCADLP C[NH2+]C[C@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000659635572 411444646 /nfs/dbraw/zinc/44/46/46/411444646.db2.gz JQYMLKRCDXMIFN-QMMMGPOBSA-N 2 2 225.296 0.159 20 0 BCADLP C[NH2+]C[C@H](C)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000659638936 411446285 /nfs/dbraw/zinc/44/62/85/411446285.db2.gz WWUHPASWFHIEFC-VIFPVBQESA-N 2 2 239.323 0.169 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407284708 411476632 /nfs/dbraw/zinc/47/66/32/411476632.db2.gz FVSIKOIMYVGFAQ-VHSXEESVSA-N 2 2 234.303 0.557 20 0 BCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407293983 411477722 /nfs/dbraw/zinc/47/77/22/411477722.db2.gz JXUXQDYLFZTTMO-RYUDHWBXSA-N 2 2 248.330 0.530 20 0 BCADLP CC(C)[C@H](O)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657368255 411480360 /nfs/dbraw/zinc/48/03/60/411480360.db2.gz VHVCPXHXLQTNQC-LLVKDONJSA-N 2 2 223.320 0.936 20 0 BCADLP O[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)C1CC1 ZINC000657368565 411480631 /nfs/dbraw/zinc/48/06/31/411480631.db2.gz SVXPQMMPKDJTKQ-NSHDSACASA-N 2 2 221.304 0.690 20 0 BCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000127290558 411482977 /nfs/dbraw/zinc/48/29/77/411482977.db2.gz GQSDVUVDESBYBK-NXEZZACHSA-N 2 2 236.319 0.756 20 0 BCADLP COC[C@H](CCO)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657370501 411483418 /nfs/dbraw/zinc/48/34/18/411483418.db2.gz OOYDZTPAMVTDQO-JTQLQIEISA-N 2 2 239.319 0.316 20 0 BCADLP CN1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1=O ZINC000657386864 411490254 /nfs/dbraw/zinc/49/02/54/411490254.db2.gz JBYFZYVWVGCVEI-NSHDSACASA-N 2 2 248.330 0.540 20 0 BCADLP C[C@H](C[NH3+])NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000659530803 411490379 /nfs/dbraw/zinc/49/03/79/411490379.db2.gz LVNRPTMLIVPMQL-HTQZYQBOSA-N 2 2 225.296 0.128 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)n1C ZINC000657387990 411490412 /nfs/dbraw/zinc/49/04/12/411490412.db2.gz ZKTOHMIFCUBZGR-SNVBAGLBSA-N 2 2 248.330 0.581 20 0 BCADLP CCc1ncc(C[NH2+]C[C@@H]2C[NH2+]CCO2)s1 ZINC000415094360 411491249 /nfs/dbraw/zinc/49/12/49/411491249.db2.gz JVOZUDANJHOXRB-VIFPVBQESA-N 2 2 241.360 0.784 20 0 BCADLP CCN(C)C(=O)[C@H](C)[NH2+]C[C@H]([NH3+])CC(C)C ZINC000415116939 411492721 /nfs/dbraw/zinc/49/27/21/411492721.db2.gz ZZHZAWRBIKCVTR-WDEREUQCSA-N 2 2 229.368 0.816 20 0 BCADLP CN(CC[NH+]1CCCC1)Cc1cn(C)c[nH+]1 ZINC000659923323 411499048 /nfs/dbraw/zinc/49/90/48/411499048.db2.gz QLGQOJGBBFPAQZ-UHFFFAOYSA-N 2 2 222.336 0.948 20 0 BCADLP CC[C@@H]([NH3+])CNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000659547157 411517337 /nfs/dbraw/zinc/51/73/37/411517337.db2.gz BKLFDRBKCILYHW-RKDXNWHRSA-N 2 2 239.323 0.518 20 0 BCADLP C[C@@H](C[NH+](C)C)NCc1c[nH+]c2n1CCC2 ZINC000657465670 411519784 /nfs/dbraw/zinc/51/97/84/411519784.db2.gz ZNVWIVIYTRYURA-JTQLQIEISA-N 2 2 222.336 0.869 20 0 BCADLP COCC(COC)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657482945 411528989 /nfs/dbraw/zinc/52/89/89/411528989.db2.gz JSNVSUMUWQTQLJ-UHFFFAOYSA-N 2 2 239.319 0.580 20 0 BCADLP O[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657483843 411529135 /nfs/dbraw/zinc/52/91/35/411529135.db2.gz DLBOKUVKUYJXBZ-WAAGHKOSSA-N 2 2 207.277 0.442 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)N(C)C)C1 ZINC000328384677 170012104 /nfs/dbraw/zinc/01/21/04/170012104.db2.gz WGKZQVRFKKPLBA-WDEREUQCSA-N 2 2 227.352 0.537 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)N(C)C)C1 ZINC000328384677 170012105 /nfs/dbraw/zinc/01/21/05/170012105.db2.gz WGKZQVRFKKPLBA-WDEREUQCSA-N 2 2 227.352 0.537 20 0 BCADLP CC[N@@H+]1CC[C@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000283589618 170015535 /nfs/dbraw/zinc/01/55/35/170015535.db2.gz XGZCLQVOCNJAQV-PGLGOXFNSA-N 2 2 248.330 0.881 20 0 BCADLP CC[N@H+]1CC[C@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000283589618 170015536 /nfs/dbraw/zinc/01/55/36/170015536.db2.gz XGZCLQVOCNJAQV-PGLGOXFNSA-N 2 2 248.330 0.881 20 0 BCADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2nccn2C)C1 ZINC000037484368 170017093 /nfs/dbraw/zinc/01/70/93/170017093.db2.gz QCTBEUIODIOXNP-LLVKDONJSA-N 2 2 222.336 0.852 20 0 BCADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2nccn2C)C1 ZINC000037484368 170017094 /nfs/dbraw/zinc/01/70/94/170017094.db2.gz QCTBEUIODIOXNP-LLVKDONJSA-N 2 2 222.336 0.852 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCn2cncn2)C1 ZINC000336671747 170030042 /nfs/dbraw/zinc/03/00/42/170030042.db2.gz AAJDZKUYOLWVCY-MNOVXSKESA-N 2 2 223.324 0.208 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCn2cncn2)C1 ZINC000336671747 170030043 /nfs/dbraw/zinc/03/00/43/170030043.db2.gz AAJDZKUYOLWVCY-MNOVXSKESA-N 2 2 223.324 0.208 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCC(=O)NC)C1 ZINC000309618516 170030937 /nfs/dbraw/zinc/03/09/37/170030937.db2.gz DMCHLIWJNJMZME-MNOVXSKESA-N 2 2 227.352 0.442 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCC(=O)NC)C1 ZINC000309618516 170030938 /nfs/dbraw/zinc/03/09/38/170030938.db2.gz DMCHLIWJNJMZME-MNOVXSKESA-N 2 2 227.352 0.442 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCOC)C1 ZINC000308579785 170031770 /nfs/dbraw/zinc/03/17/70/170031770.db2.gz GBICXLRCBORVFN-GHMZBOCLSA-N 2 2 200.326 0.953 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCOC)C1 ZINC000308579785 170031772 /nfs/dbraw/zinc/03/17/72/170031772.db2.gz GBICXLRCBORVFN-GHMZBOCLSA-N 2 2 200.326 0.953 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H]2COCCO2)[C@@H](C)C1 ZINC000309921716 170035281 /nfs/dbraw/zinc/03/52/81/170035281.db2.gz SJICLQWEWGJNGZ-TUAOUCFPSA-N 2 2 228.336 0.332 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H]2COCCO2)[C@@H](C)C1 ZINC000309921716 170035283 /nfs/dbraw/zinc/03/52/83/170035283.db2.gz SJICLQWEWGJNGZ-TUAOUCFPSA-N 2 2 228.336 0.332 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H](O)C(C)C)[C@@H](C)C1 ZINC000336758392 170035931 /nfs/dbraw/zinc/03/59/31/170035931.db2.gz JTKFEROCVBVBFO-SDDRHHMPSA-N 2 2 214.353 0.933 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H](O)C(C)C)[C@@H](C)C1 ZINC000336758392 170035932 /nfs/dbraw/zinc/03/59/32/170035932.db2.gz JTKFEROCVBVBFO-SDDRHHMPSA-N 2 2 214.353 0.933 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCOCCO)C1 ZINC000336776838 170038333 /nfs/dbraw/zinc/03/83/33/170038333.db2.gz GUPOQKGGEBZRLC-NWDGAFQWSA-N 2 2 230.352 0.315 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCOCCO)C1 ZINC000336776838 170038335 /nfs/dbraw/zinc/03/83/35/170038335.db2.gz GUPOQKGGEBZRLC-NWDGAFQWSA-N 2 2 230.352 0.315 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](O)[C@@H]2CCOC2)C1 ZINC000358052101 170038833 /nfs/dbraw/zinc/03/88/33/170038833.db2.gz XMOLTTJENBEHEY-UMSGYPCISA-N 2 2 242.363 0.314 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](O)[C@@H]2CCOC2)C1 ZINC000358052101 170038834 /nfs/dbraw/zinc/03/88/34/170038834.db2.gz XMOLTTJENBEHEY-UMSGYPCISA-N 2 2 242.363 0.314 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](COC)OC)C1 ZINC000336671963 170039160 /nfs/dbraw/zinc/03/91/60/170039160.db2.gz ABTVKSRNWSGJSS-SDDRHHMPSA-N 2 2 230.352 0.578 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](COC)OC)C1 ZINC000336671963 170039161 /nfs/dbraw/zinc/03/91/61/170039161.db2.gz ABTVKSRNWSGJSS-SDDRHHMPSA-N 2 2 230.352 0.578 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCc3ncnn3C2)C1 ZINC000358107770 170039244 /nfs/dbraw/zinc/03/92/44/170039244.db2.gz HVEALCUGBRTFAY-QJPTWQEYSA-N 2 2 249.362 0.523 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCc3ncnn3C2)C1 ZINC000358107770 170039246 /nfs/dbraw/zinc/03/92/46/170039246.db2.gz HVEALCUGBRTFAY-QJPTWQEYSA-N 2 2 249.362 0.523 20 0 BCADLP CCNC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000362179276 170055705 /nfs/dbraw/zinc/05/57/05/170055705.db2.gz FPGOUCAXIMGMLG-NEPJUHHUSA-N 2 2 241.379 0.927 20 0 BCADLP CCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000362179276 170055706 /nfs/dbraw/zinc/05/57/06/170055706.db2.gz FPGOUCAXIMGMLG-NEPJUHHUSA-N 2 2 241.379 0.927 20 0 BCADLP CCNC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000362179276 170055708 /nfs/dbraw/zinc/05/57/08/170055708.db2.gz FPGOUCAXIMGMLG-NEPJUHHUSA-N 2 2 241.379 0.927 20 0 BCADLP CCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000362179276 170055709 /nfs/dbraw/zinc/05/57/09/170055709.db2.gz FPGOUCAXIMGMLG-NEPJUHHUSA-N 2 2 241.379 0.927 20 0 BCADLP CCNC(=O)C[N@H+](CC)C[C@H]1CCC[NH2+]C1 ZINC000043493570 170057974 /nfs/dbraw/zinc/05/79/74/170057974.db2.gz MJMXSDLPIDEAQL-NSHDSACASA-N 2 2 227.352 0.444 20 0 BCADLP CCNC(=O)C[N@@H+](CC)C[C@H]1CCC[NH2+]C1 ZINC000043493570 170057975 /nfs/dbraw/zinc/05/79/75/170057975.db2.gz MJMXSDLPIDEAQL-NSHDSACASA-N 2 2 227.352 0.444 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000331154296 170061625 /nfs/dbraw/zinc/06/16/25/170061625.db2.gz CYOGMCLTVUUCOV-GFCCVEGCSA-N 2 2 249.314 0.671 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000331154296 170061626 /nfs/dbraw/zinc/06/16/26/170061626.db2.gz CYOGMCLTVUUCOV-GFCCVEGCSA-N 2 2 249.314 0.671 20 0 BCADLP OC[C@@H](CCF)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657502489 411538341 /nfs/dbraw/zinc/53/83/41/411538341.db2.gz LWZITPSHBFENGM-SECBINFHSA-N 2 2 227.283 0.639 20 0 BCADLP Cn1c[nH+]c(CN2CC[N@H+](C)CC2(C)C)c1 ZINC000660159589 411548910 /nfs/dbraw/zinc/54/89/10/411548910.db2.gz VPIUNQGKTIDRGR-UHFFFAOYSA-N 2 2 222.336 0.946 20 0 BCADLP Cn1c[nH+]c(CN2CC[N@@H+](C)CC2(C)C)c1 ZINC000660159589 411548911 /nfs/dbraw/zinc/54/89/11/411548911.db2.gz VPIUNQGKTIDRGR-UHFFFAOYSA-N 2 2 222.336 0.946 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000250659786 170267227 /nfs/dbraw/zinc/26/72/27/170267227.db2.gz DRMIVXCDQFPZAR-KXUCPTDWSA-N 2 2 214.309 0.607 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000250659786 170267229 /nfs/dbraw/zinc/26/72/29/170267229.db2.gz DRMIVXCDQFPZAR-KXUCPTDWSA-N 2 2 214.309 0.607 20 0 BCADLP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000251239496 170272084 /nfs/dbraw/zinc/27/20/84/170272084.db2.gz IQIMXAHQVGSWJB-DCAQKATOSA-N 2 2 228.336 0.997 20 0 BCADLP CCOC(=O)[C@H](CC)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000251239496 170272086 /nfs/dbraw/zinc/27/20/86/170272086.db2.gz IQIMXAHQVGSWJB-DCAQKATOSA-N 2 2 228.336 0.997 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC(O)C1 ZINC000660279244 411565174 /nfs/dbraw/zinc/56/51/74/411565174.db2.gz SWAAWDYLUDVPPQ-HTAVTVPLSA-N 2 2 230.352 0.143 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC(O)C1 ZINC000660279244 411565176 /nfs/dbraw/zinc/56/51/76/411565176.db2.gz SWAAWDYLUDVPPQ-HTAVTVPLSA-N 2 2 230.352 0.143 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC(O)C1 ZINC000660279244 411565178 /nfs/dbraw/zinc/56/51/78/411565178.db2.gz SWAAWDYLUDVPPQ-HTAVTVPLSA-N 2 2 230.352 0.143 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC(O)C1 ZINC000660279244 411565179 /nfs/dbraw/zinc/56/51/79/411565179.db2.gz SWAAWDYLUDVPPQ-HTAVTVPLSA-N 2 2 230.352 0.143 20 0 BCADLP CCOCC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357723545 170388916 /nfs/dbraw/zinc/38/89/16/170388916.db2.gz WAQOTJOEILBOSV-UHFFFAOYSA-N 2 2 230.352 0.411 20 0 BCADLP CCOCC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357723545 170388918 /nfs/dbraw/zinc/38/89/18/170388918.db2.gz WAQOTJOEILBOSV-UHFFFAOYSA-N 2 2 230.352 0.411 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH2+]CCOCCF)C1CC1 ZINC000663376805 411640323 /nfs/dbraw/zinc/64/03/23/411640323.db2.gz MKVBKWIPQKSYKW-NSHDSACASA-N 2 2 234.315 0.017 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCOCCF)C1CC1 ZINC000663376805 411640329 /nfs/dbraw/zinc/64/03/29/411640329.db2.gz MKVBKWIPQKSYKW-NSHDSACASA-N 2 2 234.315 0.017 20 0 BCADLP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@@H]1O ZINC000314051257 411580459 /nfs/dbraw/zinc/58/04/59/411580459.db2.gz UELTVEOYJVEDCH-PWSUYJOCSA-N 2 2 223.320 0.665 20 0 BCADLP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@@H]1O ZINC000314051257 411580461 /nfs/dbraw/zinc/58/04/61/411580461.db2.gz UELTVEOYJVEDCH-PWSUYJOCSA-N 2 2 223.320 0.665 20 0 BCADLP O[C@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657808283 411600671 /nfs/dbraw/zinc/60/06/71/411600671.db2.gz DLBOKUVKUYJXBZ-CZMCAQCFSA-N 2 2 207.277 0.442 20 0 BCADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](O)C2)C[N@@H+]1C1CC1 ZINC000657809208 411601726 /nfs/dbraw/zinc/60/17/26/411601726.db2.gz HODLAJCFWXTTLG-GUDRVLHUSA-N 2 2 210.321 0.725 20 0 BCADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](O)C2)C[N@H+]1C1CC1 ZINC000657809208 411601728 /nfs/dbraw/zinc/60/17/28/411601728.db2.gz HODLAJCFWXTTLG-GUDRVLHUSA-N 2 2 210.321 0.725 20 0 BCADLP COCC1([NH2+]C[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC000660634859 411610650 /nfs/dbraw/zinc/61/06/50/411610650.db2.gz CBRBXFLZAQZKKZ-GFCCVEGCSA-N 2 2 242.363 0.866 20 0 BCADLP COCC1([NH2+]C[C@H]2CCC[N@H+]2C)CCOCC1 ZINC000660634859 411610652 /nfs/dbraw/zinc/61/06/52/411610652.db2.gz CBRBXFLZAQZKKZ-GFCCVEGCSA-N 2 2 242.363 0.866 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+]CCCCn1cc[nH+]c1 ZINC000657846526 411611492 /nfs/dbraw/zinc/61/14/92/411611492.db2.gz ZDJSRWJKZGDHRC-LBPRGKRZSA-N 2 2 248.334 0.933 20 0 BCADLP CC(C)[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1COC1 ZINC000660648740 411612578 /nfs/dbraw/zinc/61/25/78/411612578.db2.gz WPXAOKNYKBWFNQ-ZDUSSCGKSA-N 2 2 244.379 0.797 20 0 BCADLP CC(C)[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1COC1 ZINC000660648740 411612579 /nfs/dbraw/zinc/61/25/79/411612579.db2.gz WPXAOKNYKBWFNQ-ZDUSSCGKSA-N 2 2 244.379 0.797 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C(C)C)C1COC1 ZINC000660648740 411612580 /nfs/dbraw/zinc/61/25/80/411612580.db2.gz WPXAOKNYKBWFNQ-ZDUSSCGKSA-N 2 2 244.379 0.797 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C(C)C)C1COC1 ZINC000660648740 411612581 /nfs/dbraw/zinc/61/25/81/411612581.db2.gz WPXAOKNYKBWFNQ-ZDUSSCGKSA-N 2 2 244.379 0.797 20 0 BCADLP Cc1cc(NC(=O)N[C@@]2(C)CC[NH2+]C2)cc[nH+]1 ZINC000663592064 411706379 /nfs/dbraw/zinc/70/63/79/411706379.db2.gz RIUFCHQZJSFAFV-LBPRGKRZSA-N 2 2 234.303 0.685 20 0 BCADLP Cc1cc(NC[C@@H](C)C[NH+](C)C)nc[nH+]1 ZINC000336716648 411649983 /nfs/dbraw/zinc/64/99/83/411649983.db2.gz XKZBAYWYLYXKAE-SECBINFHSA-N 2 2 208.309 1.395 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660841418 411654074 /nfs/dbraw/zinc/65/40/74/411654074.db2.gz DQQMFAFFBGSDMR-UHFFFAOYSA-N 2 2 237.263 0.183 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660841418 411654077 /nfs/dbraw/zinc/65/40/77/411654077.db2.gz DQQMFAFFBGSDMR-UHFFFAOYSA-N 2 2 237.263 0.183 20 0 BCADLP C[N@H+](C[C@]12C[C@H]1C[NH2+]C2)C1CC[NH2+]CC1 ZINC000663495136 411674576 /nfs/dbraw/zinc/67/45/76/411674576.db2.gz NOVKJTYFJAOXIX-CMPLNLGQSA-N 3 2 209.337 0.280 20 0 BCADLP C[N@@H+](C[C@]12C[C@H]1C[NH2+]C2)C1CC[NH2+]CC1 ZINC000663495136 411674580 /nfs/dbraw/zinc/67/45/80/411674580.db2.gz NOVKJTYFJAOXIX-CMPLNLGQSA-N 3 2 209.337 0.280 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C[C@@]1(C)C[NH3+] ZINC000663495969 411676494 /nfs/dbraw/zinc/67/64/94/411676494.db2.gz BKBALUYWWAYXCD-LPWJVIDDSA-N 3 2 223.364 0.513 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C[C@@]1(C)C[NH3+] ZINC000663495969 411676500 /nfs/dbraw/zinc/67/65/00/411676500.db2.gz BKBALUYWWAYXCD-LPWJVIDDSA-N 3 2 223.364 0.513 20 0 BCADLP C[C@@H]1CC[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C[C@H]1C[NH3+] ZINC000663495866 411677052 /nfs/dbraw/zinc/67/70/52/411677052.db2.gz BGMHFRIWCMIIIK-LPWJVIDDSA-N 3 2 223.364 0.513 20 0 BCADLP C[C@@H]1CC[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C[C@H]1C[NH3+] ZINC000663495866 411677058 /nfs/dbraw/zinc/67/70/58/411677058.db2.gz BGMHFRIWCMIIIK-LPWJVIDDSA-N 3 2 223.364 0.513 20 0 BCADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000663501298 411685863 /nfs/dbraw/zinc/68/58/63/411685863.db2.gz UYFCWMNPXDBBNT-GMKTYKIGSA-N 3 2 223.364 0.716 20 0 BCADLP Cc1n[nH]cc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663501525 411686398 /nfs/dbraw/zinc/68/63/98/411686398.db2.gz ILENJUZQHXJRSD-UHFFFAOYSA-N 2 2 206.293 0.560 20 0 BCADLP c1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)nc1 ZINC000663501423 411686408 /nfs/dbraw/zinc/68/64/08/411686408.db2.gz HXLJDWGFXJNWJY-UHFFFAOYSA-N 2 2 203.289 0.923 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccccc1-n1cncn1 ZINC000663508654 411689605 /nfs/dbraw/zinc/68/96/05/411689605.db2.gz RFKUUYDVQYKZNS-LLVKDONJSA-N 2 2 245.330 0.965 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+]Cc1nc(C)ccc1O ZINC000663507931 411690583 /nfs/dbraw/zinc/69/05/83/411690583.db2.gz CZVLUKGISAXNFS-SECBINFHSA-N 2 2 209.293 0.793 20 0 BCADLP CCn1nccc1C[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000663510307 411692870 /nfs/dbraw/zinc/69/28/70/411692870.db2.gz DCTNWTCQRWBZPI-WDEREUQCSA-N 2 2 222.336 0.991 20 0 BCADLP c1cc2c(nc[nH+]c2NCC[NH+]2CCC2)[nH]1 ZINC000390250700 411701216 /nfs/dbraw/zinc/70/12/16/411701216.db2.gz KQSQQFIWNYKHOG-UHFFFAOYSA-N 2 2 217.276 1.076 20 0 BCADLP CCS(=O)(=O)CC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122340958 170609092 /nfs/dbraw/zinc/60/90/92/170609092.db2.gz GFMOFBXKLSBMHL-UWVGGRQHSA-N 2 2 234.365 0.090 20 0 BCADLP CCS(=O)(=O)CC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122340958 170609093 /nfs/dbraw/zinc/60/90/93/170609093.db2.gz GFMOFBXKLSBMHL-UWVGGRQHSA-N 2 2 234.365 0.090 20 0 BCADLP COC[C@H]([NH2+]Cc1c[nH+]c[nH]1)C1CCOCC1 ZINC000661160000 411723472 /nfs/dbraw/zinc/72/34/72/411723472.db2.gz VRYIUJIMNDVUAK-LBPRGKRZSA-N 2 2 239.319 0.941 20 0 BCADLP C[C@@H](CCNc1cc(CO)cc[nH+]1)[NH+](C)C ZINC000641657336 411815089 /nfs/dbraw/zinc/81/50/89/411815089.db2.gz UBTGIAXSVJNURO-JTQLQIEISA-N 2 2 223.320 1.326 20 0 BCADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@H](C)[C@H]1O ZINC000661628436 411823533 /nfs/dbraw/zinc/82/35/33/411823533.db2.gz UDCKMTDSFJYJIK-GDNZZTSVSA-N 2 2 223.320 0.832 20 0 BCADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@H](C)[C@H]1O ZINC000661628436 411823535 /nfs/dbraw/zinc/82/35/35/411823535.db2.gz UDCKMTDSFJYJIK-GDNZZTSVSA-N 2 2 223.320 0.832 20 0 BCADLP Cn1c(N[C@@H]2CC[NH2+]C2)[nH+]c2cccc(F)c21 ZINC000334979442 411829557 /nfs/dbraw/zinc/82/95/57/411829557.db2.gz IEBPFHHSWWVZHE-MRVPVSSYSA-N 2 2 234.278 1.486 20 0 BCADLP CN1CC[N@H+](CC[C@@H]2CCC[NH+]2C)CCC1=O ZINC000661807119 411887295 /nfs/dbraw/zinc/88/72/95/411887295.db2.gz MGBAQZMJAGCFGL-LBPRGKRZSA-N 2 2 239.363 0.635 20 0 BCADLP CN1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)CCC1=O ZINC000661807119 411887298 /nfs/dbraw/zinc/88/72/98/411887298.db2.gz MGBAQZMJAGCFGL-LBPRGKRZSA-N 2 2 239.363 0.635 20 0 BCADLP CN1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CCC1=O ZINC000661807119 411887300 /nfs/dbraw/zinc/88/73/00/411887300.db2.gz MGBAQZMJAGCFGL-LBPRGKRZSA-N 2 2 239.363 0.635 20 0 BCADLP CN1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CCC1=O ZINC000661807119 411887302 /nfs/dbraw/zinc/88/73/02/411887302.db2.gz MGBAQZMJAGCFGL-LBPRGKRZSA-N 2 2 239.363 0.635 20 0 BCADLP CN1CC[N@H+](CCn2cc[nH+]c2)CCC1=O ZINC000661810025 411887867 /nfs/dbraw/zinc/88/78/67/411887867.db2.gz ZIPJNXAQKBPKDT-UHFFFAOYSA-N 2 2 222.292 0.047 20 0 BCADLP CN1CC[N@@H+](CCn2cc[nH+]c2)CCC1=O ZINC000661810025 411887869 /nfs/dbraw/zinc/88/78/69/411887869.db2.gz ZIPJNXAQKBPKDT-UHFFFAOYSA-N 2 2 222.292 0.047 20 0 BCADLP COc1c(N)[nH+]cnc1NCC[C@H](C)[NH+](C)C ZINC000664246954 411896674 /nfs/dbraw/zinc/89/66/74/411896674.db2.gz ZPVWVKKPYYDCHI-QMMMGPOBSA-N 2 2 239.323 0.820 20 0 BCADLP COc1c(N)nc[nH+]c1NCC[C@H](C)[NH+](C)C ZINC000664246954 411896676 /nfs/dbraw/zinc/89/66/76/411896676.db2.gz ZPVWVKKPYYDCHI-QMMMGPOBSA-N 2 2 239.323 0.820 20 0 BCADLP C[NH2+][C@H]1CCN(Cc2cc[nH+]c(N)c2)C1 ZINC000516867825 411904593 /nfs/dbraw/zinc/90/45/93/411904593.db2.gz UKZAEGUZINKFGI-JTQLQIEISA-N 2 2 206.293 0.458 20 0 BCADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cnc(N)s2)C[NH2+]1 ZINC000629660114 411906331 /nfs/dbraw/zinc/90/63/31/411906331.db2.gz NXXVBUCZSCWUBI-HTQZYQBOSA-N 2 2 226.349 0.955 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CN(Cc2cc[nH+]c(N)c2)CCO1 ZINC000647865767 411920377 /nfs/dbraw/zinc/92/03/77/411920377.db2.gz SABLKVKHZWTGOU-ONGXEEELSA-N 2 2 236.319 0.212 20 0 BCADLP C[C@H]1C[C@@H](C(=O)Nc2ccc(N)[nH+]c2)CC[NH2+]1 ZINC000582063072 411928782 /nfs/dbraw/zinc/92/87/82/411928782.db2.gz OEMZWCJXOIFVGU-IUCAKERBSA-N 2 2 234.303 0.990 20 0 BCADLP Nc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000566916033 411941339 /nfs/dbraw/zinc/94/13/39/411941339.db2.gz WZLIAWLEWWROQO-VXGBXAGGSA-N 2 2 232.331 0.705 20 0 BCADLP Nc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000566916033 411941342 /nfs/dbraw/zinc/94/13/42/411941342.db2.gz WZLIAWLEWWROQO-VXGBXAGGSA-N 2 2 232.331 0.705 20 0 BCADLP Cc1nc(N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)nc(N)[nH+]1 ZINC000631199832 411964438 /nfs/dbraw/zinc/96/44/38/411964438.db2.gz VRBYCTUMDYJROM-VHSXEESVSA-N 2 2 248.334 0.293 20 0 BCADLP Cc1nc(N2CC[C@@H]3CC[N@H+](C)C[C@H]32)nc(N)[nH+]1 ZINC000631199832 411964441 /nfs/dbraw/zinc/96/44/41/411964441.db2.gz VRBYCTUMDYJROM-VHSXEESVSA-N 2 2 248.334 0.293 20 0 BCADLP Cc1nc(N[C@@H]2CCn3cc[nH+]c3C2)nc(N)[nH+]1 ZINC000631216526 411968893 /nfs/dbraw/zinc/96/88/93/411968893.db2.gz LAMHCGMCCYGKMC-MRVPVSSYSA-N 2 2 245.290 0.386 20 0 BCADLP Cc1nc(N)nc(N[C@@H]2CCn3cc[nH+]c3C2)[nH+]1 ZINC000631216526 411968897 /nfs/dbraw/zinc/96/88/97/411968897.db2.gz LAMHCGMCCYGKMC-MRVPVSSYSA-N 2 2 245.290 0.386 20 0 BCADLP Cc1nc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000631157950 411969019 /nfs/dbraw/zinc/96/90/19/411969019.db2.gz VFEJTZUZCROFFU-CBAPKCEASA-N 2 2 248.334 0.799 20 0 BCADLP Cc1nc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000631157950 411969024 /nfs/dbraw/zinc/96/90/24/411969024.db2.gz VFEJTZUZCROFFU-CBAPKCEASA-N 2 2 248.334 0.799 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662029885 411945412 /nfs/dbraw/zinc/94/54/12/411945412.db2.gz CMJHDUKRTXKOPM-NWDGAFQWSA-N 2 2 235.331 0.931 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662029885 411945413 /nfs/dbraw/zinc/94/54/13/411945413.db2.gz CMJHDUKRTXKOPM-NWDGAFQWSA-N 2 2 235.331 0.931 20 0 BCADLP Nc1ccc(C[NH2+]CCn2cc[nH+]c2)cn1 ZINC000647550485 411956547 /nfs/dbraw/zinc/95/65/47/411956547.db2.gz TWHDUUTXRAGQMG-UHFFFAOYSA-N 2 2 217.276 0.650 20 0 BCADLP Nc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cn1 ZINC000647548129 411957211 /nfs/dbraw/zinc/95/72/11/411957211.db2.gz WFRCMQICPDQTCB-NSHDSACASA-N 2 2 220.320 0.896 20 0 BCADLP Nc1ncc(C[NH+]2CCC3(CC[NH2+]3)CC2)s1 ZINC000583871778 411961140 /nfs/dbraw/zinc/96/11/40/411961140.db2.gz BJERKWTWKPGOHE-UHFFFAOYSA-N 2 2 238.360 1.053 20 0 BCADLP Cc1nnc([C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)[nH]1 ZINC000662265920 412058896 /nfs/dbraw/zinc/05/88/96/412058896.db2.gz UBMPXIHTHOCCOZ-NRPADANISA-N 2 2 223.324 0.843 20 0 BCADLP Cc1nnc([C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)[nH]1 ZINC000662265920 412058900 /nfs/dbraw/zinc/05/89/00/412058900.db2.gz UBMPXIHTHOCCOZ-NRPADANISA-N 2 2 223.324 0.843 20 0 BCADLP CN1CCC[C@@H]([N@@H+]2CCC[C@H]([NH3+])C2)C1=O ZINC000662234083 412032452 /nfs/dbraw/zinc/03/24/52/412032452.db2.gz HXLGXODGGLCWRB-VHSXEESVSA-N 2 2 211.309 0.030 20 0 BCADLP CN1CCC[C@@H]([N@H+]2CCC[C@H]([NH3+])C2)C1=O ZINC000662234083 412032456 /nfs/dbraw/zinc/03/24/56/412032456.db2.gz HXLGXODGGLCWRB-VHSXEESVSA-N 2 2 211.309 0.030 20 0 BCADLP C[N@H+](CCO[C@@H]1CC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000662245699 412035108 /nfs/dbraw/zinc/03/51/08/412035108.db2.gz NDUSYNTTYCZHGC-RKDXNWHRSA-N 2 2 220.263 0.704 20 0 BCADLP C[N@@H+](CCO[C@@H]1CC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000662245699 412035111 /nfs/dbraw/zinc/03/51/11/412035111.db2.gz NDUSYNTTYCZHGC-RKDXNWHRSA-N 2 2 220.263 0.704 20 0 BCADLP C[NH2+]C1CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC000662242965 412036827 /nfs/dbraw/zinc/03/68/27/412036827.db2.gz FVPGVBMDOGHMPN-NSHDSACASA-N 2 2 225.336 0.291 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)CCO[C@H]1CC1(F)F ZINC000662242547 412037185 /nfs/dbraw/zinc/03/71/85/412037185.db2.gz BULCXLOIRUIPSC-YUMQZZPRSA-N 2 2 208.252 0.690 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)CCO[C@H]1CC1(F)F ZINC000662242547 412037188 /nfs/dbraw/zinc/03/71/88/412037188.db2.gz BULCXLOIRUIPSC-YUMQZZPRSA-N 2 2 208.252 0.690 20 0 BCADLP COCCOCCOCCC[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000662239371 412037261 /nfs/dbraw/zinc/03/72/61/412037261.db2.gz BRNOADNKJLFRJX-GFCCVEGCSA-N 2 2 246.351 0.089 20 0 BCADLP COCCOCCOCCC[N@H+]1CC[C@@H]([NH3+])C1 ZINC000662239371 412037263 /nfs/dbraw/zinc/03/72/63/412037263.db2.gz BRNOADNKJLFRJX-GFCCVEGCSA-N 2 2 246.351 0.089 20 0 BCADLP CCCC[N@H+](CCO)C[C@H]1C[NH2+]CCO1 ZINC000662249235 412039983 /nfs/dbraw/zinc/03/99/83/412039983.db2.gz KCYOGHHXEKJLLQ-LLVKDONJSA-N 2 2 216.325 0.069 20 0 BCADLP CCCC[N@@H+](CCO)C[C@H]1C[NH2+]CCO1 ZINC000662249235 412039986 /nfs/dbraw/zinc/03/99/86/412039986.db2.gz KCYOGHHXEKJLLQ-LLVKDONJSA-N 2 2 216.325 0.069 20 0 BCADLP CCN1CC[C@@H]([NH+]2CCC([NH2+]C)CC2)C1=O ZINC000662245461 412041608 /nfs/dbraw/zinc/04/16/08/412041608.db2.gz QTPOTWXZEMEMSA-LLVKDONJSA-N 2 2 225.336 0.291 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H](COC)OC ZINC000662247061 412045068 /nfs/dbraw/zinc/04/50/68/412045068.db2.gz XSPZWNJITUKYPM-MNOVXSKESA-N 2 2 216.325 0.332 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H](COC)OC ZINC000662247061 412045070 /nfs/dbraw/zinc/04/50/70/412045070.db2.gz XSPZWNJITUKYPM-MNOVXSKESA-N 2 2 216.325 0.332 20 0 BCADLP O=C1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCN1 ZINC000662249915 412047192 /nfs/dbraw/zinc/04/71/92/412047192.db2.gz UYSLVRDXCOBTSB-UHFFFAOYSA-N 2 2 245.326 0.264 20 0 BCADLP O=C1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCN1 ZINC000662249915 412047198 /nfs/dbraw/zinc/04/71/98/412047198.db2.gz UYSLVRDXCOBTSB-UHFFFAOYSA-N 2 2 245.326 0.264 20 0 BCADLP CC(C)C[C@H]1COCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662254256 412049626 /nfs/dbraw/zinc/04/96/26/412049626.db2.gz GLLGMJQATZZZSB-STQMWFEESA-N 2 2 242.363 0.722 20 0 BCADLP CC(C)C[C@H]1COCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662254256 412049629 /nfs/dbraw/zinc/04/96/29/412049629.db2.gz GLLGMJQATZZZSB-STQMWFEESA-N 2 2 242.363 0.722 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000662259283 412053299 /nfs/dbraw/zinc/05/32/99/412053299.db2.gz UIDWIPAPUKWFPX-NEPJUHHUSA-N 2 2 226.320 0.087 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000662259283 412053300 /nfs/dbraw/zinc/05/33/00/412053300.db2.gz UIDWIPAPUKWFPX-NEPJUHHUSA-N 2 2 226.320 0.087 20 0 BCADLP COC[C@H]1CCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662259161 412053378 /nfs/dbraw/zinc/05/33/78/412053378.db2.gz RDDJUDDNNZJFSF-GHMZBOCLSA-N 2 2 214.309 0.086 20 0 BCADLP COC[C@H]1CCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662259161 412053380 /nfs/dbraw/zinc/05/33/80/412053380.db2.gz RDDJUDDNNZJFSF-GHMZBOCLSA-N 2 2 214.309 0.086 20 0 BCADLP COC[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662259162 412054424 /nfs/dbraw/zinc/05/44/24/412054424.db2.gz RDDJUDDNNZJFSF-MNOVXSKESA-N 2 2 214.309 0.086 20 0 BCADLP COC[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662259162 412054426 /nfs/dbraw/zinc/05/44/26/412054426.db2.gz RDDJUDDNNZJFSF-MNOVXSKESA-N 2 2 214.309 0.086 20 0 BCADLP COC[C@@H]1CCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662259164 412054782 /nfs/dbraw/zinc/05/47/82/412054782.db2.gz RDDJUDDNNZJFSF-WDEREUQCSA-N 2 2 214.309 0.086 20 0 BCADLP COC[C@@H]1CCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662259164 412054784 /nfs/dbraw/zinc/05/47/84/412054784.db2.gz RDDJUDDNNZJFSF-WDEREUQCSA-N 2 2 214.309 0.086 20 0 BCADLP COC[C@H](C[N@H+](C1CC1)[C@@H]1CC[NH2+]C1)OC ZINC000662266460 412058429 /nfs/dbraw/zinc/05/84/29/412058429.db2.gz ZYQVBGFXTXJMCT-NEPJUHHUSA-N 2 2 228.336 0.474 20 0 BCADLP COC[C@H](C[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1)OC ZINC000662266460 412058434 /nfs/dbraw/zinc/05/84/34/412058434.db2.gz ZYQVBGFXTXJMCT-NEPJUHHUSA-N 2 2 228.336 0.474 20 0 BCADLP CC[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@@H]1O ZINC000270904522 171083743 /nfs/dbraw/zinc/08/37/43/171083743.db2.gz RSOMPOUPKSYLOO-MNOVXSKESA-N 2 2 209.293 0.586 20 0 BCADLP CC[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@@H]1O ZINC000270904522 171083745 /nfs/dbraw/zinc/08/37/45/171083745.db2.gz RSOMPOUPKSYLOO-MNOVXSKESA-N 2 2 209.293 0.586 20 0 BCADLP CCN1CC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000662274401 412065710 /nfs/dbraw/zinc/06/57/10/412065710.db2.gz TWPRHKZPZJLVEF-SRVKXCTJSA-N 2 2 237.347 0.291 20 0 BCADLP CCN1CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000662274401 412065715 /nfs/dbraw/zinc/06/57/15/412065715.db2.gz TWPRHKZPZJLVEF-SRVKXCTJSA-N 2 2 237.347 0.291 20 0 BCADLP CCN1CC[C@H]([NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)C1=O ZINC000662276522 412069696 /nfs/dbraw/zinc/06/96/96/412069696.db2.gz JMHXJKJPLNHKIW-NOOOWODRSA-N 2 2 239.363 0.583 20 0 BCADLP CC[C@@]1(C(=O)NCc2[nH]cc[nH+]2)CCC[NH2+]1 ZINC000129039045 171195545 /nfs/dbraw/zinc/19/55/45/171195545.db2.gz AGXGRAJAUJPPLI-NSHDSACASA-N 2 2 222.292 0.558 20 0 BCADLP CC[C@H](C(=O)N1CCn2c[nH+]cc2C1)[NH+](C)C ZINC000291059450 171225474 /nfs/dbraw/zinc/22/54/74/171225474.db2.gz HSBAAFYKQFKUIT-LLVKDONJSA-N 2 2 236.319 0.566 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)[C@H]1CCCOC1 ZINC000662281725 412073794 /nfs/dbraw/zinc/07/37/94/412073794.db2.gz LJOSDBNKFWOVLD-SDDRHHMPSA-N 2 2 228.336 0.380 20 0 BCADLP CC[C@H](C)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000082668989 171285611 /nfs/dbraw/zinc/28/56/11/171285611.db2.gz ZVLICUTZGAAFKL-RYUDHWBXSA-N 2 2 213.369 0.868 20 0 BCADLP CC[C@H](C)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000082668989 171285612 /nfs/dbraw/zinc/28/56/12/171285612.db2.gz ZVLICUTZGAAFKL-RYUDHWBXSA-N 2 2 213.369 0.868 20 0 BCADLP CN(CCC[NH+]1CCOCC1)CC(C)(C)[NH3+] ZINC000662293828 412082670 /nfs/dbraw/zinc/08/26/70/412082670.db2.gz WAZNKIGUXIFGRK-UHFFFAOYSA-N 2 2 229.368 0.378 20 0 BCADLP C[N@H+](CCCN1CCOCC1)CC(C)(C)[NH3+] ZINC000662293828 412082673 /nfs/dbraw/zinc/08/26/73/412082673.db2.gz WAZNKIGUXIFGRK-UHFFFAOYSA-N 2 2 229.368 0.378 20 0 BCADLP C[N@@H+](CCCN1CCOCC1)CC(C)(C)[NH3+] ZINC000662293828 412082674 /nfs/dbraw/zinc/08/26/74/412082674.db2.gz WAZNKIGUXIFGRK-UHFFFAOYSA-N 2 2 229.368 0.378 20 0 BCADLP OCC[C@@H]1CCCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662298481 412084490 /nfs/dbraw/zinc/08/44/90/412084490.db2.gz CZRUUKZHTAXIPC-NWDGAFQWSA-N 2 2 228.336 0.212 20 0 BCADLP OCC[C@@H]1CCCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662298481 412084492 /nfs/dbraw/zinc/08/44/92/412084492.db2.gz CZRUUKZHTAXIPC-NWDGAFQWSA-N 2 2 228.336 0.212 20 0 BCADLP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071147648 171332735 /nfs/dbraw/zinc/33/27/35/171332735.db2.gz CKZSNCKGEGIEJN-QJPTWQEYSA-N 2 2 241.379 0.831 20 0 BCADLP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071147648 171332737 /nfs/dbraw/zinc/33/27/37/171332737.db2.gz CKZSNCKGEGIEJN-QJPTWQEYSA-N 2 2 241.379 0.831 20 0 BCADLP CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1c[nH+]cn1C ZINC000236989367 171334862 /nfs/dbraw/zinc/33/48/62/171334862.db2.gz ZGHMSDGLOJJFNM-UWVGGRQHSA-N 2 2 238.335 0.813 20 0 BCADLP CC(C)(CC[N@H+](CC[NH3+])C[C@@H](O)CO)C1CC1 ZINC000662288264 412079778 /nfs/dbraw/zinc/07/97/78/412079778.db2.gz NEOHUMQXZYJESG-GFCCVEGCSA-N 2 2 244.379 0.427 20 0 BCADLP CC(C)(CC[N@@H+](CC[NH3+])C[C@@H](O)CO)C1CC1 ZINC000662288264 412079783 /nfs/dbraw/zinc/07/97/83/412079783.db2.gz NEOHUMQXZYJESG-GFCCVEGCSA-N 2 2 244.379 0.427 20 0 BCADLP [NH3+]CC[N@H+](CCC1CCCCC1)C[C@H](O)CO ZINC000662288479 412080360 /nfs/dbraw/zinc/08/03/60/412080360.db2.gz IDXQKNBWJIBMRI-ZDUSSCGKSA-N 2 2 244.379 0.571 20 0 BCADLP [NH3+]CC[N@@H+](CCC1CCCCC1)C[C@H](O)CO ZINC000662288479 412080364 /nfs/dbraw/zinc/08/03/64/412080364.db2.gz IDXQKNBWJIBMRI-ZDUSSCGKSA-N 2 2 244.379 0.571 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@H+](C)CC(C)(C)[NH3+] ZINC000662294159 412080963 /nfs/dbraw/zinc/08/09/63/412080963.db2.gz JGGMRJIANCAOCX-MRVPVSSYSA-N 2 2 201.314 0.132 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662294159 412080966 /nfs/dbraw/zinc/08/09/66/412080966.db2.gz JGGMRJIANCAOCX-MRVPVSSYSA-N 2 2 201.314 0.132 20 0 BCADLP C[N@@H+](CC1=CCCOC1)C[C@H]1C[NH2+]CCO1 ZINC000662305541 412086157 /nfs/dbraw/zinc/08/61/57/412086157.db2.gz IYRXSDRMKOSZPN-GFCCVEGCSA-N 2 2 226.320 0.253 20 0 BCADLP C[N@H+](CC1=CCCOC1)C[C@H]1C[NH2+]CCO1 ZINC000662305541 412086158 /nfs/dbraw/zinc/08/61/58/412086158.db2.gz IYRXSDRMKOSZPN-GFCCVEGCSA-N 2 2 226.320 0.253 20 0 BCADLP [NH3+]CC12CC(C1)C[N@@H+]2CCOC[C@H]1CCCO1 ZINC000662304634 412088924 /nfs/dbraw/zinc/08/89/24/412088924.db2.gz SGMZATMJRTZDPM-OTTFEQOBSA-N 2 2 240.347 0.605 20 0 BCADLP [NH3+]CC12CC(C1)C[N@H+]2CCOC[C@H]1CCCO1 ZINC000662304634 412088928 /nfs/dbraw/zinc/08/89/28/412088928.db2.gz SGMZATMJRTZDPM-OTTFEQOBSA-N 2 2 240.347 0.605 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000662314660 412095494 /nfs/dbraw/zinc/09/54/94/412095494.db2.gz AIWBZLNTJQKJPP-WDEREUQCSA-N 2 2 225.336 0.278 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000662314660 412095498 /nfs/dbraw/zinc/09/54/98/412095498.db2.gz AIWBZLNTJQKJPP-WDEREUQCSA-N 2 2 225.336 0.278 20 0 BCADLP CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000662315831 412095738 /nfs/dbraw/zinc/09/57/38/412095738.db2.gz HLMSHJFTEOEVFY-MNOVXSKESA-N 2 2 227.352 0.570 20 0 BCADLP CC(C)NC(=O)[C@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000662315831 412095742 /nfs/dbraw/zinc/09/57/42/412095742.db2.gz HLMSHJFTEOEVFY-MNOVXSKESA-N 2 2 227.352 0.570 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662324343 412103386 /nfs/dbraw/zinc/10/33/86/412103386.db2.gz VMUPRWYEMIQTGB-NXEZZACHSA-N 2 2 212.272 0.291 20 0 BCADLP C[N@H+](C[C@@H]1CC1(C)C)C[C@H]1C[NH2+]CCO1 ZINC000662332560 412105711 /nfs/dbraw/zinc/10/57/11/412105711.db2.gz XACZHAOACPYSNS-WDEREUQCSA-N 2 2 212.337 0.953 20 0 BCADLP C[N@@H+](C[C@@H]1CC1(C)C)C[C@H]1C[NH2+]CCO1 ZINC000662332560 412105714 /nfs/dbraw/zinc/10/57/14/412105714.db2.gz XACZHAOACPYSNS-WDEREUQCSA-N 2 2 212.337 0.953 20 0 BCADLP CO[C@@H](C)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000665244812 412179255 /nfs/dbraw/zinc/17/92/55/412179255.db2.gz XEZWZOAZKQXGMH-ZMLRMANQSA-N 2 2 228.336 0.378 20 0 BCADLP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000665242655 412187527 /nfs/dbraw/zinc/18/75/27/412187527.db2.gz FYFPNNHJFRWDLF-HBNTYKKESA-N 2 2 246.376 0.294 20 0 BCADLP CCn1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])nn1 ZINC000665245125 412189081 /nfs/dbraw/zinc/18/90/81/412189081.db2.gz AEZRFNZIGUAACR-DTWKUNHWSA-N 2 2 211.313 0.513 20 0 BCADLP CC[C@@H]([NH2+]C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000662502721 412197609 /nfs/dbraw/zinc/19/76/09/412197609.db2.gz BKZABPAJNUZACV-LLVKDONJSA-N 2 2 238.335 0.730 20 0 BCADLP C[C@H]([NH3+])C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000442656132 412215294 /nfs/dbraw/zinc/21/52/94/412215294.db2.gz DSDKZBNTXWIWPJ-JTQLQIEISA-N 2 2 235.335 0.700 20 0 BCADLP CC[NH2+]CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000662410277 412154675 /nfs/dbraw/zinc/15/46/75/412154675.db2.gz XNERKRVUXVPODT-UHFFFAOYSA-N 2 2 246.314 0.982 20 0 BCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC2(C)C)[C@H](C[NH3+])C1 ZINC000662430062 412168107 /nfs/dbraw/zinc/16/81/07/412168107.db2.gz UHWKKFBNCWWEQK-MNOVXSKESA-N 2 2 239.363 0.524 20 0 BCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC2(C)C)[C@H](C[NH3+])C1 ZINC000662430062 412168111 /nfs/dbraw/zinc/16/81/11/412168111.db2.gz UHWKKFBNCWWEQK-MNOVXSKESA-N 2 2 239.363 0.524 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](CO)C1CCC1 ZINC000665235441 412174237 /nfs/dbraw/zinc/17/42/37/412174237.db2.gz VZNNTIRSCREZRL-RAIGVLPGSA-N 2 2 242.363 0.504 20 0 BCADLP CN1CC[NH2+]C[C@@H]1CNc1cc[nH+]c(C2CC2)n1 ZINC000564644235 412254381 /nfs/dbraw/zinc/25/43/81/412254381.db2.gz NHONCXNQSNMWKB-LLVKDONJSA-N 2 2 247.346 0.670 20 0 BCADLP O=C(NCCn1cc[nH+]c1)C1([NH2+]C2CC2)CCC1 ZINC000662664335 412263187 /nfs/dbraw/zinc/26/31/87/412263187.db2.gz RRJIBWHXNVZRET-UHFFFAOYSA-N 2 2 248.330 0.674 20 0 BCADLP [NH3+][C@H]1C[C@H](C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000662689378 412272171 /nfs/dbraw/zinc/27/21/71/412272171.db2.gz FXWXCWPEIKIICM-XYPYZODXSA-N 2 2 236.319 0.517 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662714995 412280876 /nfs/dbraw/zinc/28/08/76/412280876.db2.gz OFABAAJOWOONHH-ONGXEEELSA-N 2 2 235.287 0.114 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662714216 412280907 /nfs/dbraw/zinc/28/09/07/412280907.db2.gz BMKXDBCQNZYNRZ-KYZUINATSA-N 2 2 205.261 0.488 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662717367 412281250 /nfs/dbraw/zinc/28/12/50/412281250.db2.gz OINGDMUNUSXHCM-JTQLQIEISA-N 2 2 236.319 0.424 20 0 BCADLP Cc1[nH]c(C(=O)NCC[C@@H]([NH3+])C(C)C)c[nH+]1 ZINC000662728307 412285846 /nfs/dbraw/zinc/28/58/46/412285846.db2.gz NABMZYUSHSAPQT-SECBINFHSA-N 2 2 224.308 0.821 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279465 412221732 /nfs/dbraw/zinc/22/17/32/412221732.db2.gz CWYCGTSFHGKZFI-IGJPJIBNSA-N 3 2 239.363 0.095 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665280143 412224333 /nfs/dbraw/zinc/22/43/33/412224333.db2.gz UNEHURXIOFSFFA-LVFLEHKBSA-N 3 2 209.337 0.455 20 0 BCADLP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1nccn1C ZINC000665283795 412228703 /nfs/dbraw/zinc/22/87/03/412228703.db2.gz VDKBDWHMFBBSIQ-DTWKUNHWSA-N 2 2 208.309 0.679 20 0 BCADLP C[NH2+]C[C@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662584479 412228739 /nfs/dbraw/zinc/22/87/39/412228739.db2.gz BDYXSQFUZVEXNF-QMMMGPOBSA-N 2 2 210.281 0.224 20 0 BCADLP C[NH2+]C[C@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662584479 412228740 /nfs/dbraw/zinc/22/87/40/412228740.db2.gz BDYXSQFUZVEXNF-QMMMGPOBSA-N 2 2 210.281 0.224 20 0 BCADLP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1nccn1C ZINC000665283797 412228727 /nfs/dbraw/zinc/22/87/27/412228727.db2.gz VDKBDWHMFBBSIQ-RKDXNWHRSA-N 2 2 208.309 0.679 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662584624 412228922 /nfs/dbraw/zinc/22/89/22/412228922.db2.gz CZULMXMFAKXSQA-ZJUUUORDSA-N 2 2 222.292 0.496 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662584624 412228925 /nfs/dbraw/zinc/22/89/25/412228925.db2.gz CZULMXMFAKXSQA-ZJUUUORDSA-N 2 2 222.292 0.496 20 0 BCADLP C[NH2+]CCCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662585602 412230217 /nfs/dbraw/zinc/23/02/17/412230217.db2.gz KRRJVINYLORYAF-UHFFFAOYSA-N 2 2 210.281 0.368 20 0 BCADLP C[NH2+]CCCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662585602 412230220 /nfs/dbraw/zinc/23/02/20/412230220.db2.gz KRRJVINYLORYAF-UHFFFAOYSA-N 2 2 210.281 0.368 20 0 BCADLP CC(C)[C@@H](C(=O)N(C)Cc1c[nH+]c[nH]1)[C@@H](C)[NH3+] ZINC000662586175 412230245 /nfs/dbraw/zinc/23/02/45/412230245.db2.gz PZFSGAHTQUMVBI-MWLCHTKSSA-N 2 2 238.335 0.988 20 0 BCADLP CC(C)[C@@H](C(=O)N(C)Cc1c[nH]c[nH+]1)[C@@H](C)[NH3+] ZINC000662586175 412230247 /nfs/dbraw/zinc/23/02/47/412230247.db2.gz PZFSGAHTQUMVBI-MWLCHTKSSA-N 2 2 238.335 0.988 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]([NH3+])C1CCC1 ZINC000662584781 412230453 /nfs/dbraw/zinc/23/04/53/412230453.db2.gz GQCVSQVZNHFHAD-SNVBAGLBSA-N 2 2 222.292 0.496 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]([NH3+])C1CCC1 ZINC000662584781 412230456 /nfs/dbraw/zinc/23/04/56/412230456.db2.gz GQCVSQVZNHFHAD-SNVBAGLBSA-N 2 2 222.292 0.496 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C1([NH3+])CCC1 ZINC000662584746 412230506 /nfs/dbraw/zinc/23/05/06/412230506.db2.gz FPRKUVOWCSLWSV-UHFFFAOYSA-N 2 2 208.265 0.250 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C1([NH3+])CCC1 ZINC000662584746 412230510 /nfs/dbraw/zinc/23/05/10/412230510.db2.gz FPRKUVOWCSLWSV-UHFFFAOYSA-N 2 2 208.265 0.250 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)CC1(C[NH3+])CC1 ZINC000662585149 412230707 /nfs/dbraw/zinc/23/07/07/412230707.db2.gz IBDAWYFKHHVTAU-UHFFFAOYSA-N 2 2 222.292 0.497 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)CC1(C[NH3+])CC1 ZINC000662585149 412230714 /nfs/dbraw/zinc/23/07/14/412230714.db2.gz IBDAWYFKHHVTAU-UHFFFAOYSA-N 2 2 222.292 0.497 20 0 BCADLP C[C@H]([NH2+]CCNc1cnccn1)[C@H]1CCC[NH2+]1 ZINC000566849769 412237525 /nfs/dbraw/zinc/23/75/25/412237525.db2.gz DAZDOIVCBDPBLV-WDEREUQCSA-N 2 2 235.335 0.619 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000665296328 412243101 /nfs/dbraw/zinc/24/31/01/412243101.db2.gz QYCZSSPQHOLLDN-HBNTYKKESA-N 2 2 248.392 0.540 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOCCF ZINC000665299236 412247631 /nfs/dbraw/zinc/24/76/31/412247631.db2.gz JBSRNMSYFDMXTA-GHMZBOCLSA-N 2 2 234.315 0.329 20 0 BCADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)S(C)(=O)=O ZINC000665299535 412247803 /nfs/dbraw/zinc/24/78/03/412247803.db2.gz OUDMPECMMUYSCS-GUBZILKMSA-N 2 2 234.365 0.150 20 0 BCADLP C[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)S(C)(=O)=O ZINC000665299263 412247817 /nfs/dbraw/zinc/24/78/17/412247817.db2.gz JMHDVLNVHJYOHK-MXWKQRLJSA-N 2 2 248.392 0.540 20 0 BCADLP FCCOCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000665298953 412248209 /nfs/dbraw/zinc/24/82/09/412248209.db2.gz DAGYQEXMDBJPTQ-NEPJUHHUSA-N 2 2 246.326 0.329 20 0 BCADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)S(C)(=O)=O ZINC000665299259 412248433 /nfs/dbraw/zinc/24/84/33/412248433.db2.gz JMHDVLNVHJYOHK-DCAQKATOSA-N 2 2 248.392 0.540 20 0 BCADLP CN1CC[NH2+]C[C@H]1CNc1cc[nH+]c(C2CC2)n1 ZINC000564644247 412253981 /nfs/dbraw/zinc/25/39/81/412253981.db2.gz NHONCXNQSNMWKB-NSHDSACASA-N 2 2 247.346 0.670 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CSC[NH2+]1 ZINC000662838258 412316871 /nfs/dbraw/zinc/31/68/71/412316871.db2.gz FUNWYZBIMWUIMT-QMMMGPOBSA-N 2 2 226.305 0.031 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)CC1([NH3+])CC1 ZINC000662903214 412341066 /nfs/dbraw/zinc/34/10/66/412341066.db2.gz XHPIWOGDCTYOQA-VIFPVBQESA-N 2 2 236.319 0.962 20 0 BCADLP CC(C)[C@H]([NH3+])CCNC(=O)CCn1cc[nH+]c1 ZINC000662925896 412347520 /nfs/dbraw/zinc/34/75/20/412347520.db2.gz DWIQHLLKYPCKNA-LLVKDONJSA-N 2 2 238.335 0.763 20 0 BCADLP C[C@@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)c1[nH+]ccn1C ZINC000662934563 412349144 /nfs/dbraw/zinc/34/91/44/412349144.db2.gz OLYPNUZPKUZABW-IMSYWVGJSA-N 2 2 234.303 0.063 20 0 BCADLP C[C@H](NC(=O)CC[NH2+]C1CC1)c1[nH+]ccn1C ZINC000662934750 412349212 /nfs/dbraw/zinc/34/92/12/412349212.db2.gz QGPFLXISLUHCKF-VIFPVBQESA-N 2 2 236.319 0.739 20 0 BCADLP CC(C)[C@@H]([NH3+])C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662934736 412349301 /nfs/dbraw/zinc/34/93/01/412349301.db2.gz QBUOGICFVRDHIE-RKDXNWHRSA-N 2 2 224.308 0.581 20 0 BCADLP C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1[nH+]ccn1C ZINC000662935760 412349461 /nfs/dbraw/zinc/34/94/61/412349461.db2.gz ZCSPVNKDHADNKI-ZJUUUORDSA-N 2 2 236.319 0.739 20 0 BCADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662934735 412349555 /nfs/dbraw/zinc/34/95/55/412349555.db2.gz QBUOGICFVRDHIE-IUCAKERBSA-N 2 2 224.308 0.581 20 0 BCADLP C[C@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)c1[nH+]ccn1C ZINC000662934551 412349565 /nfs/dbraw/zinc/34/95/65/412349565.db2.gz OLYPNUZPKUZABW-AXTSPUMRSA-N 2 2 234.303 0.063 20 0 BCADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)C[NH3+])ccn12 ZINC000662758018 412293135 /nfs/dbraw/zinc/29/31/35/412293135.db2.gz OPUSFKAXISDTOL-VIFPVBQESA-N 2 2 246.314 0.967 20 0 BCADLP C[C@H]([NH3+])C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000662761265 412293653 /nfs/dbraw/zinc/29/36/53/412293653.db2.gz OGKFAVOIJJUYDC-IUCAKERBSA-N 2 2 236.319 0.677 20 0 BCADLP C[NH2+]CC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000662761866 412293689 /nfs/dbraw/zinc/29/36/89/412293689.db2.gz RLPAZDZLQWIBFA-JTQLQIEISA-N 2 2 236.319 0.549 20 0 BCADLP Cc1[nH]c(C(=O)N[C@]2(C)CC[NH2+]C2)c[nH+]1 ZINC000663013482 412371023 /nfs/dbraw/zinc/37/10/23/412371023.db2.gz OESKXNLAMMHVEN-SNVBAGLBSA-N 2 2 208.265 0.200 20 0 BCADLP C[C@H](CC(=O)N[C@]1(C)CC[NH2+]C1)n1cc[nH+]c1 ZINC000663014327 412371114 /nfs/dbraw/zinc/37/11/14/412371114.db2.gz KRTYFNUDDXWCGQ-ZYHUDNBSSA-N 2 2 236.319 0.702 20 0 BCADLP COc1c(N)[nH+]cnc1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000663239935 412398932 /nfs/dbraw/zinc/39/89/32/412398932.db2.gz QWEWEPXIDPYMMJ-RKDXNWHRSA-N 2 2 249.318 0.256 20 0 BCADLP COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000668285145 487623674 /nfs/dbraw/zinc/62/36/74/487623674.db2.gz DXZHCWCQXXAZQI-ZYHUDNBSSA-N 2 2 239.319 0.310 20 0 BCADLP COC[C@H]1C[C@@H](O)C[N@H+]1Cc1c[nH+]c(C)n1C ZINC000668285145 487623678 /nfs/dbraw/zinc/62/36/78/487623678.db2.gz DXZHCWCQXXAZQI-ZYHUDNBSSA-N 2 2 239.319 0.310 20 0 BCADLP CCn1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cn1 ZINC000358171571 172172886 /nfs/dbraw/zinc/17/28/86/172172886.db2.gz UCNPVXWXNHUZIF-GFCCVEGCSA-N 2 2 238.335 0.059 20 0 BCADLP CCn1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cn1 ZINC000358171571 172172888 /nfs/dbraw/zinc/17/28/88/172172888.db2.gz UCNPVXWXNHUZIF-GFCCVEGCSA-N 2 2 238.335 0.059 20 0 BCADLP CCn1cc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cn1 ZINC000309954827 172173927 /nfs/dbraw/zinc/17/39/27/172173927.db2.gz HVBSKMSMBBNEDH-CMPLNLGQSA-N 2 2 222.336 0.943 20 0 BCADLP CCn1cc[nH+]c1CN1CCC[C@H]([NH3+])C1 ZINC000054743833 172219768 /nfs/dbraw/zinc/21/97/68/172219768.db2.gz BHVSYOPREYCQSP-JTQLQIEISA-N 2 2 208.309 0.826 20 0 BCADLP CCn1cnnc1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000359943884 172236977 /nfs/dbraw/zinc/23/69/77/172236977.db2.gz RLPLBSQUSRBIHA-MNOVXSKESA-N 2 2 237.351 0.728 20 0 BCADLP CCn1cnnc1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000359943884 172236978 /nfs/dbraw/zinc/23/69/78/172236978.db2.gz RLPLBSQUSRBIHA-MNOVXSKESA-N 2 2 237.351 0.728 20 0 BCADLP CCn1nccc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000119881475 172270265 /nfs/dbraw/zinc/27/02/65/172270265.db2.gz HAFROFFWXKHTMF-LBPRGKRZSA-N 2 2 240.351 0.305 20 0 BCADLP CN(C)C(=[NH2+])NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000361816850 172353117 /nfs/dbraw/zinc/35/31/17/172353117.db2.gz UNEFLDPAZJHFEL-UHFFFAOYSA-N 2 2 244.302 0.853 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000330947201 173024791 /nfs/dbraw/zinc/02/47/91/173024791.db2.gz HIWMDMZBBAXZFX-SECBINFHSA-N 2 2 222.292 0.163 20 0 BCADLP C[N@H+]1CCC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000330947201 173024793 /nfs/dbraw/zinc/02/47/93/173024793.db2.gz HIWMDMZBBAXZFX-SECBINFHSA-N 2 2 222.292 0.163 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(O)CC1 ZINC000203070508 173034933 /nfs/dbraw/zinc/03/49/33/173034933.db2.gz OXZMITJCNGBZGH-MOENNCHZSA-N 2 2 212.337 0.974 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(O)CC1 ZINC000203070508 173034934 /nfs/dbraw/zinc/03/49/34/173034934.db2.gz OXZMITJCNGBZGH-MOENNCHZSA-N 2 2 212.337 0.974 20 0 BCADLP Cn1ncc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000377883971 173037271 /nfs/dbraw/zinc/03/72/71/173037271.db2.gz LWRIBVKRDHZMKJ-DGCLKSJQSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000377883971 173037274 /nfs/dbraw/zinc/03/72/74/173037274.db2.gz LWRIBVKRDHZMKJ-DGCLKSJQSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000377883971 173037276 /nfs/dbraw/zinc/03/72/76/173037276.db2.gz LWRIBVKRDHZMKJ-DGCLKSJQSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000377883971 173037278 /nfs/dbraw/zinc/03/72/78/173037278.db2.gz LWRIBVKRDHZMKJ-DGCLKSJQSA-N 2 2 249.362 0.731 20 0 BCADLP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCCNC1=O ZINC000336553890 173041219 /nfs/dbraw/zinc/04/12/19/173041219.db2.gz YPMSBXYVLWFQOE-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCCNC1=O ZINC000336553890 173041220 /nfs/dbraw/zinc/04/12/20/173041220.db2.gz YPMSBXYVLWFQOE-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1CCCNC1=O ZINC000336553890 173041221 /nfs/dbraw/zinc/04/12/21/173041221.db2.gz YPMSBXYVLWFQOE-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCNC1=O ZINC000336553890 173041222 /nfs/dbraw/zinc/04/12/22/173041222.db2.gz YPMSBXYVLWFQOE-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1C(N)=O ZINC000125128796 173051787 /nfs/dbraw/zinc/05/17/87/173051787.db2.gz FTMSRZDDNBGMPE-WDEREUQCSA-N 2 2 225.336 0.420 20 0 BCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1C(N)=O ZINC000125128796 173051788 /nfs/dbraw/zinc/05/17/88/173051788.db2.gz FTMSRZDDNBGMPE-WDEREUQCSA-N 2 2 225.336 0.420 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000125128796 173051789 /nfs/dbraw/zinc/05/17/89/173051789.db2.gz FTMSRZDDNBGMPE-WDEREUQCSA-N 2 2 225.336 0.420 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1C(N)=O ZINC000125128796 173051790 /nfs/dbraw/zinc/05/17/90/173051790.db2.gz FTMSRZDDNBGMPE-WDEREUQCSA-N 2 2 225.336 0.420 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000300232790 173075688 /nfs/dbraw/zinc/07/56/88/173075688.db2.gz NFOWFIYOKQJQNF-NWDGAFQWSA-N 2 2 243.420 0.575 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000300232790 173075690 /nfs/dbraw/zinc/07/56/90/173075690.db2.gz NFOWFIYOKQJQNF-NWDGAFQWSA-N 2 2 243.420 0.575 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCCSC1 ZINC000082669005 173076791 /nfs/dbraw/zinc/07/67/91/173076791.db2.gz FLFAIAMOUZTQHA-VXGBXAGGSA-N 2 2 243.420 0.717 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCCSC1 ZINC000082669005 173076793 /nfs/dbraw/zinc/07/67/93/173076793.db2.gz FLFAIAMOUZTQHA-VXGBXAGGSA-N 2 2 243.420 0.717 20 0 BCADLP Cn1ncc2c1nc[nH+]c2NC[C@@H]1CC[N@H+](C)C1 ZINC000037647808 173117058 /nfs/dbraw/zinc/11/70/58/173117058.db2.gz XGERPDICQCGYLG-VIFPVBQESA-N 2 2 246.318 0.727 20 0 BCADLP Cn1ncc2c1nc[nH+]c2NC[C@@H]1CC[N@@H+](C)C1 ZINC000037647808 173117060 /nfs/dbraw/zinc/11/70/60/173117060.db2.gz XGERPDICQCGYLG-VIFPVBQESA-N 2 2 246.318 0.727 20 0 BCADLP CN1CC[C@@H]([N@@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000124312333 173117852 /nfs/dbraw/zinc/11/78/52/173117852.db2.gz VTBQLXPOXJNMPA-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP CN1CC[C@@H]([NH+]2CCC(c3c[nH+]c[nH]3)CC2)C1=O ZINC000336553946 173118866 /nfs/dbraw/zinc/11/88/66/173118866.db2.gz KNPONDXFOCDJSF-GFCCVEGCSA-N 2 2 248.330 0.820 20 0 BCADLP CN1CC[C@@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1=O ZINC000336553946 173118867 /nfs/dbraw/zinc/11/88/67/173118867.db2.gz KNPONDXFOCDJSF-GFCCVEGCSA-N 2 2 248.330 0.820 20 0 BCADLP Cn1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)nn1 ZINC000336784193 173134837 /nfs/dbraw/zinc/13/48/37/173134837.db2.gz ZHQANGACUFLMPS-WCQYABFASA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)nn1 ZINC000336784193 173134839 /nfs/dbraw/zinc/13/48/39/173134839.db2.gz ZHQANGACUFLMPS-WCQYABFASA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)nn1 ZINC000336784193 173134841 /nfs/dbraw/zinc/13/48/41/173134841.db2.gz ZHQANGACUFLMPS-WCQYABFASA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)nn1 ZINC000336784193 173134842 /nfs/dbraw/zinc/13/48/42/173134842.db2.gz ZHQANGACUFLMPS-WCQYABFASA-N 2 2 249.362 0.731 20 0 BCADLP Cn1nncc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000367709151 173136139 /nfs/dbraw/zinc/13/61/39/173136139.db2.gz WNIFGFUXKZZYPO-WCQYABFASA-N 2 2 249.362 0.731 20 0 BCADLP Cn1nncc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000367709151 173136141 /nfs/dbraw/zinc/13/61/41/173136141.db2.gz WNIFGFUXKZZYPO-WCQYABFASA-N 2 2 249.362 0.731 20 0 BCADLP Cn1nncc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000367709151 173136143 /nfs/dbraw/zinc/13/61/43/173136143.db2.gz WNIFGFUXKZZYPO-WCQYABFASA-N 2 2 249.362 0.731 20 0 BCADLP Cn1nncc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000367709151 173136144 /nfs/dbraw/zinc/13/61/44/173136144.db2.gz WNIFGFUXKZZYPO-WCQYABFASA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cnnc1C[NH2+][C@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367623250 173154281 /nfs/dbraw/zinc/15/42/81/173154281.db2.gz VJAFCCHPECNZSR-SRVKXCTJSA-N 2 2 249.362 0.778 20 0 BCADLP Cn1cnnc1C[NH2+][C@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367623250 173154283 /nfs/dbraw/zinc/15/42/83/173154283.db2.gz VJAFCCHPECNZSR-SRVKXCTJSA-N 2 2 249.362 0.778 20 0 BCADLP C[N@@H+]1CC[C@H]2CC[NH+](CCn3ccnc3)[C@@H]2C1 ZINC000375231795 173160052 /nfs/dbraw/zinc/16/00/52/173160052.db2.gz YYMJAEDRZSASBH-QWHCGFSZSA-N 2 2 234.347 0.909 20 0 BCADLP C[N@H+]1CC[C@H]2CC[NH+](CCn3ccnc3)[C@@H]2C1 ZINC000375231795 173160055 /nfs/dbraw/zinc/16/00/55/173160055.db2.gz YYMJAEDRZSASBH-QWHCGFSZSA-N 2 2 234.347 0.909 20 0 BCADLP C[NH+]1CC[C@H]2CC[N@H+](CCn3ccnc3)[C@@H]2C1 ZINC000375231795 173160057 /nfs/dbraw/zinc/16/00/57/173160057.db2.gz YYMJAEDRZSASBH-QWHCGFSZSA-N 2 2 234.347 0.909 20 0 BCADLP C[NH+]1CC[C@H]2CC[N@@H+](CCn3ccnc3)[C@@H]2C1 ZINC000375231795 173160059 /nfs/dbraw/zinc/16/00/59/173160059.db2.gz YYMJAEDRZSASBH-QWHCGFSZSA-N 2 2 234.347 0.909 20 0 BCADLP C[N@@H+]1CC[C@]2(CCN(Cc3[nH]cc[nH+]3)C2)C1 ZINC000367848828 173167677 /nfs/dbraw/zinc/16/76/77/173167677.db2.gz VHYHYZBNKYJUAF-LBPRGKRZSA-N 2 2 220.320 0.937 20 0 BCADLP C[N@H+]1CC[C@]2(CCN(Cc3[nH]cc[nH+]3)C2)C1 ZINC000367848828 173167680 /nfs/dbraw/zinc/16/76/80/173167680.db2.gz VHYHYZBNKYJUAF-LBPRGKRZSA-N 2 2 220.320 0.937 20 0 BCADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000273659420 173194776 /nfs/dbraw/zinc/19/47/76/173194776.db2.gz XUNKHNXORSRISB-LLVKDONJSA-N 2 2 248.330 0.468 20 0 BCADLP Cn1nccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193615696 173197984 /nfs/dbraw/zinc/19/79/84/173197984.db2.gz QLUIGHOPXLYTIG-PHIMTYICSA-N 2 2 220.320 0.414 20 0 BCADLP Cn1nccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193615696 173197986 /nfs/dbraw/zinc/19/79/86/173197986.db2.gz QLUIGHOPXLYTIG-PHIMTYICSA-N 2 2 220.320 0.414 20 0 BCADLP Cn1nccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193615696 173197988 /nfs/dbraw/zinc/19/79/88/173197988.db2.gz QLUIGHOPXLYTIG-PHIMTYICSA-N 2 2 220.320 0.414 20 0 BCADLP Cn1nccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193615696 173197990 /nfs/dbraw/zinc/19/79/90/173197990.db2.gz QLUIGHOPXLYTIG-PHIMTYICSA-N 2 2 220.320 0.414 20 0 BCADLP CNC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000338255921 173266647 /nfs/dbraw/zinc/26/66/47/173266647.db2.gz PDMNPVHUYDVMRQ-UHFFFAOYSA-N 2 2 227.352 0.537 20 0 BCADLP CNC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000338255921 173266650 /nfs/dbraw/zinc/26/66/50/173266650.db2.gz PDMNPVHUYDVMRQ-UHFFFAOYSA-N 2 2 227.352 0.537 20 0 BCADLP CNC(=O)C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000336775202 173276894 /nfs/dbraw/zinc/27/68/94/173276894.db2.gz YIEBNLPINDIJMM-UHFFFAOYSA-N 2 2 221.304 0.658 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000309958799 173280128 /nfs/dbraw/zinc/28/01/28/173280128.db2.gz JYLNAAPLAYBBHV-SNVBAGLBSA-N 2 2 227.352 0.585 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000341890128 173280546 /nfs/dbraw/zinc/28/05/46/173280546.db2.gz GKHWMUYSMPBULF-NWDGAFQWSA-N 2 2 241.379 0.833 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000341890128 173280547 /nfs/dbraw/zinc/28/05/47/173280547.db2.gz GKHWMUYSMPBULF-NWDGAFQWSA-N 2 2 241.379 0.833 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]CC[N@H+]1CC=CCC1 ZINC000336762519 173280623 /nfs/dbraw/zinc/28/06/23/173280623.db2.gz LKTSNOJDBCPLOF-LLVKDONJSA-N 2 2 225.336 0.363 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]CC[N@@H+]1CC=CCC1 ZINC000336762519 173280624 /nfs/dbraw/zinc/28/06/24/173280624.db2.gz LKTSNOJDBCPLOF-LLVKDONJSA-N 2 2 225.336 0.363 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000358288768 173283104 /nfs/dbraw/zinc/28/31/04/173283104.db2.gz OHUVEHZWMSBIQW-SRVKXCTJSA-N 2 2 241.379 0.829 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000358288768 173283105 /nfs/dbraw/zinc/28/31/05/173283105.db2.gz OHUVEHZWMSBIQW-SRVKXCTJSA-N 2 2 241.379 0.829 20 0 BCADLP CNC(=O)[C@@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000290048078 173298902 /nfs/dbraw/zinc/29/89/02/173298902.db2.gz OLVXMBAZXWTUDX-NSHDSACASA-N 2 2 236.319 0.173 20 0 BCADLP CNC(=O)[C@@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000290048078 173298903 /nfs/dbraw/zinc/29/89/03/173298903.db2.gz OLVXMBAZXWTUDX-NSHDSACASA-N 2 2 236.319 0.173 20 0 BCADLP CNC(=O)[C@H](C)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000291641762 173302752 /nfs/dbraw/zinc/30/27/52/173302752.db2.gz BQSKDSQEFBBVGF-VIFPVBQESA-N 2 2 236.319 0.372 20 0 BCADLP C[NH2+]CCC(=O)NCc1[nH+]ccn1CC(C)C ZINC000357246025 173341042 /nfs/dbraw/zinc/34/10/42/173341042.db2.gz WOYQOABBMRKYLB-UHFFFAOYSA-N 2 2 238.335 0.765 20 0 BCADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)N1CCCCC1 ZINC000124993083 173345594 /nfs/dbraw/zinc/34/55/94/173345594.db2.gz MDNCUOHOXJZRKC-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)N1CCCCC1 ZINC000124993083 173345596 /nfs/dbraw/zinc/34/55/96/173345596.db2.gz MDNCUOHOXJZRKC-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP C[NH2+]CCC[N@H+](C)CC(=O)NC1CCCCC1 ZINC000124929683 173345981 /nfs/dbraw/zinc/34/59/81/173345981.db2.gz JWRFRLNKKJWZFI-UHFFFAOYSA-N 2 2 241.379 0.977 20 0 BCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NC1CCCCC1 ZINC000124929683 173345983 /nfs/dbraw/zinc/34/59/83/173345983.db2.gz JWRFRLNKKJWZFI-UHFFFAOYSA-N 2 2 241.379 0.977 20 0 BCADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)NCCCOC ZINC000124967417 173346110 /nfs/dbraw/zinc/34/61/10/173346110.db2.gz AYPDBQGFCVOBSZ-NSHDSACASA-N 2 2 245.367 0.069 20 0 BCADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)NCCCOC ZINC000124967417 173346111 /nfs/dbraw/zinc/34/61/11/173346111.db2.gz AYPDBQGFCVOBSZ-NSHDSACASA-N 2 2 245.367 0.069 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000108362190 173346738 /nfs/dbraw/zinc/34/67/38/173346738.db2.gz YFAQWTHZXKMFDJ-SNVBAGLBSA-N 2 2 213.325 0.052 20 0 BCADLP C[NH2+]CCC[N@H+]1CCNC(=O)[C@H]1C(C)C ZINC000108362190 173346739 /nfs/dbraw/zinc/34/67/39/173346739.db2.gz YFAQWTHZXKMFDJ-SNVBAGLBSA-N 2 2 213.325 0.052 20 0 BCADLP C[NH2+]C[C@@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000086066253 173363500 /nfs/dbraw/zinc/36/35/00/173363500.db2.gz SIRKNDDBLGJQLD-NXEZZACHSA-N 2 2 224.308 0.243 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NC(C)C)C1 ZINC000040601146 173367785 /nfs/dbraw/zinc/36/77/85/173367785.db2.gz ADXRZJWIJKPQKB-NSHDSACASA-N 2 2 227.352 0.442 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NC(C)C)C1 ZINC000040601146 173367786 /nfs/dbraw/zinc/36/77/86/173367786.db2.gz ADXRZJWIJKPQKB-NSHDSACASA-N 2 2 227.352 0.442 20 0 BCADLP C[NH2+]C[C@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000086066251 173374775 /nfs/dbraw/zinc/37/47/75/173374775.db2.gz SIRKNDDBLGJQLD-VHSXEESVSA-N 2 2 224.308 0.243 20 0 BCADLP C[NH2+]C[C@H](C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000086066244 173374998 /nfs/dbraw/zinc/37/49/98/173374998.db2.gz SIRKNDDBLGJQLD-UWVGGRQHSA-N 2 2 224.308 0.243 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCn1cccn1 ZINC000042390607 173380099 /nfs/dbraw/zinc/38/00/99/173380099.db2.gz GKSNUMVZDGILQB-LLVKDONJSA-N 2 2 208.309 0.567 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1CCn1cccn1 ZINC000042390607 173380100 /nfs/dbraw/zinc/38/01/00/173380100.db2.gz GKSNUMVZDGILQB-LLVKDONJSA-N 2 2 208.309 0.567 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC000070799646 173380978 /nfs/dbraw/zinc/38/09/78/173380978.db2.gz VXJMZYIDQTZXKM-LLVKDONJSA-N 2 2 225.336 0.054 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000070799646 173380980 /nfs/dbraw/zinc/38/09/80/173380980.db2.gz VXJMZYIDQTZXKM-LLVKDONJSA-N 2 2 225.336 0.054 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000070799997 173381908 /nfs/dbraw/zinc/38/19/08/173381908.db2.gz MIBNADIXQVPBFI-VHSXEESVSA-N 2 2 225.336 0.195 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000070799997 173381910 /nfs/dbraw/zinc/38/19/10/173381910.db2.gz MIBNADIXQVPBFI-VHSXEESVSA-N 2 2 225.336 0.195 20 0 BCADLP C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000053204421 173433222 /nfs/dbraw/zinc/43/32/22/173433222.db2.gz PFZAEKIFGJUBAH-GFCCVEGCSA-N 2 2 227.352 0.002 20 0 BCADLP COC(=O)C1([NH2+]CCn2cc[nH+]c2)CCCC1 ZINC000133643453 173513952 /nfs/dbraw/zinc/51/39/52/173513952.db2.gz YTPLRRZUXVBELK-UHFFFAOYSA-N 2 2 237.303 0.959 20 0 BCADLP COC1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000310376208 174028083 /nfs/dbraw/zinc/02/80/83/174028083.db2.gz ZSAKTIKTMLOVHK-GFCCVEGCSA-N 2 2 242.363 0.552 20 0 BCADLP COC1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000310376208 174028084 /nfs/dbraw/zinc/02/80/84/174028084.db2.gz ZSAKTIKTMLOVHK-GFCCVEGCSA-N 2 2 242.363 0.552 20 0 BCADLP COCCC[N@H+](CCO)CCCn1cc[nH+]c1 ZINC000189894036 174224297 /nfs/dbraw/zinc/22/42/97/174224297.db2.gz NRHVWSPNOQEXDX-UHFFFAOYSA-N 2 2 241.335 0.604 20 0 BCADLP COCCC[N@@H+](CCO)CCCn1cc[nH+]c1 ZINC000189894036 174224298 /nfs/dbraw/zinc/22/42/98/174224298.db2.gz NRHVWSPNOQEXDX-UHFFFAOYSA-N 2 2 241.335 0.604 20 0 BCADLP COCC[N@H+](C)CC[NH2+]C[C@H]1CCC=CO1 ZINC000061377598 174277557 /nfs/dbraw/zinc/27/75/57/174277557.db2.gz UTDMMJFOUKEHIP-GFCCVEGCSA-N 2 2 228.336 0.847 20 0 BCADLP COCC[N@@H+](C)CC[NH2+]C[C@H]1CCC=CO1 ZINC000061377598 174277558 /nfs/dbraw/zinc/27/75/58/174277558.db2.gz UTDMMJFOUKEHIP-GFCCVEGCSA-N 2 2 228.336 0.847 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@H](COC)C(C)C ZINC000087480258 174279545 /nfs/dbraw/zinc/27/95/45/174279545.db2.gz MPRXRLHGFTUTIH-GFCCVEGCSA-N 2 2 232.368 0.825 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@H](COC)C(C)C ZINC000087480258 174279547 /nfs/dbraw/zinc/27/95/47/174279547.db2.gz MPRXRLHGFTUTIH-GFCCVEGCSA-N 2 2 232.368 0.825 20 0 BCADLP COCC[NH+](CCOC)Cc1cc[nH+]c(N)c1 ZINC000052730003 174296000 /nfs/dbraw/zinc/29/60/00/174296000.db2.gz TYIIXNUVERQYHR-UHFFFAOYSA-N 2 2 239.319 0.759 20 0 BCADLP COCC[NH+]1CCC([NH2+]CCN(C)C)CC1 ZINC000336776193 174305494 /nfs/dbraw/zinc/30/54/94/174305494.db2.gz DZXRJXHITZEYOW-UHFFFAOYSA-N 2 2 229.368 0.248 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCCCO)C1 ZINC000336753955 174313209 /nfs/dbraw/zinc/31/32/09/174313209.db2.gz HDVDTTWVYXMBQJ-LLVKDONJSA-N 2 2 216.325 0.069 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCCCO)C1 ZINC000336753955 174313211 /nfs/dbraw/zinc/31/32/11/174313211.db2.gz HDVDTTWVYXMBQJ-LLVKDONJSA-N 2 2 216.325 0.069 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+]C2CC(OC)C2)C1 ZINC000336782999 174315187 /nfs/dbraw/zinc/31/51/87/174315187.db2.gz ZFCQIDAPIVWGMU-UNXYVOJBSA-N 2 2 228.336 0.474 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+]C2CC(OC)C2)C1 ZINC000336782999 174315189 /nfs/dbraw/zinc/31/51/89/174315189.db2.gz ZFCQIDAPIVWGMU-UNXYVOJBSA-N 2 2 228.336 0.474 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C1 ZINC000348149996 174316224 /nfs/dbraw/zinc/31/62/24/174316224.db2.gz KIEHZEYRRPDNDP-GUBZILKMSA-N 2 2 234.290 0.950 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C1 ZINC000348149996 174316225 /nfs/dbraw/zinc/31/62/25/174316225.db2.gz KIEHZEYRRPDNDP-GUBZILKMSA-N 2 2 234.290 0.950 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@H](C)O)C1 ZINC000336779157 174316232 /nfs/dbraw/zinc/31/62/32/174316232.db2.gz NICYHHGXKCINQZ-WOPDTQHZSA-N 2 2 230.352 0.456 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@H](C)O)C1 ZINC000336779157 174316233 /nfs/dbraw/zinc/31/62/33/174316233.db2.gz NICYHHGXKCINQZ-WOPDTQHZSA-N 2 2 230.352 0.456 20 0 BCADLP COCCOCC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000377112483 174354410 /nfs/dbraw/zinc/35/44/10/174354410.db2.gz GACRGAINNPZJEG-STQMWFEESA-N 2 2 242.363 0.675 20 0 BCADLP COCCOCC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000377112483 174354411 /nfs/dbraw/zinc/35/44/11/174354411.db2.gz GACRGAINNPZJEG-STQMWFEESA-N 2 2 242.363 0.675 20 0 BCADLP COCCOCC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000377112483 174354413 /nfs/dbraw/zinc/35/44/13/174354413.db2.gz GACRGAINNPZJEG-STQMWFEESA-N 2 2 242.363 0.675 20 0 BCADLP COCCOCC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000377112483 174354414 /nfs/dbraw/zinc/35/44/14/174354414.db2.gz GACRGAINNPZJEG-STQMWFEESA-N 2 2 242.363 0.675 20 0 BCADLP COCCOCC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000308915808 174358639 /nfs/dbraw/zinc/35/86/39/174358639.db2.gz FVGUWZHALHDHRX-WDEREUQCSA-N 2 2 216.325 0.189 20 0 BCADLP COCCOCC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000308915808 174358640 /nfs/dbraw/zinc/35/86/40/174358640.db2.gz FVGUWZHALHDHRX-WDEREUQCSA-N 2 2 216.325 0.189 20 0 BCADLP COc1cc[nH+]cc1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000237114198 175374962 /nfs/dbraw/zinc/37/49/62/175374962.db2.gz UDNDIOMWUKIZCG-MRVPVSSYSA-N 2 2 221.260 0.638 20 0 BCADLP COc1cc[nH+]cc1NC(=O)[C@H]1CCC[NH2+]1 ZINC000237114971 175375063 /nfs/dbraw/zinc/37/50/63/175375063.db2.gz WJCPZZXPEDFFKM-MRVPVSSYSA-N 2 2 221.260 0.781 20 0 BCADLP COc1cc[nH+]cc1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000166576097 175375779 /nfs/dbraw/zinc/37/57/79/175375779.db2.gz WJCPZZXPEDFFKM-QMMMGPOBSA-N 2 2 221.260 0.781 20 0 BCADLP C[C@@H]([NH3+])CC(=O)NCCCn1cc[nH+]c1 ZINC000037476097 175802919 /nfs/dbraw/zinc/80/29/19/175802919.db2.gz PWPCLKIPZNMNJF-SECBINFHSA-N 2 2 210.281 0.127 20 0 BCADLP C[C@@H]1CC(=O)NCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000371199027 176049502 /nfs/dbraw/zinc/04/95/02/176049502.db2.gz QMMXNEYTGAODFH-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@@H]1CC(=O)NCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000371199027 176049503 /nfs/dbraw/zinc/04/95/03/176049503.db2.gz QMMXNEYTGAODFH-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@@H]1CC(=O)NCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000371199027 176049505 /nfs/dbraw/zinc/04/95/05/176049505.db2.gz QMMXNEYTGAODFH-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@@H]1CC(=O)NCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000371199027 176049508 /nfs/dbraw/zinc/04/95/08/176049508.db2.gz QMMXNEYTGAODFH-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@@H]1CCC[N@H+](CC(=O)N(C)C)[C@@H]1C[NH3+] ZINC000043617025 176096287 /nfs/dbraw/zinc/09/62/87/176096287.db2.gz UKPKMXJBAVXKLU-NXEZZACHSA-N 2 2 213.325 0.134 20 0 BCADLP C[C@@H]1CCC[N@@H+](CC(=O)N(C)C)[C@@H]1C[NH3+] ZINC000043617025 176096288 /nfs/dbraw/zinc/09/62/88/176096288.db2.gz UKPKMXJBAVXKLU-NXEZZACHSA-N 2 2 213.325 0.134 20 0 BCADLP C[C@@H]1CCC[N@H+](CC(=O)N(C)C2CC2)[C@@H]1C[NH3+] ZINC000043617116 176096330 /nfs/dbraw/zinc/09/63/30/176096330.db2.gz DJEOXCKSURQNKW-ZYHUDNBSSA-N 2 2 239.363 0.666 20 0 BCADLP C[C@@H]1CCC[N@@H+](CC(=O)N(C)C2CC2)[C@@H]1C[NH3+] ZINC000043617116 176096331 /nfs/dbraw/zinc/09/63/31/176096331.db2.gz DJEOXCKSURQNKW-ZYHUDNBSSA-N 2 2 239.363 0.666 20 0 BCADLP C[C@@H]1CCC[N@H+](CCN2CCOCC2)[C@@H]1C[NH3+] ZINC000043617080 176097448 /nfs/dbraw/zinc/09/74/48/176097448.db2.gz ARGUKTFCNCZSHI-CHWSQXEVSA-N 2 2 241.379 0.378 20 0 BCADLP C[C@@H]1CCC[N@@H+](CCN2CCOCC2)[C@@H]1C[NH3+] ZINC000043617080 176097449 /nfs/dbraw/zinc/09/74/49/176097449.db2.gz ARGUKTFCNCZSHI-CHWSQXEVSA-N 2 2 241.379 0.378 20 0 BCADLP C[C@@H]1CCCN(CC[NH+]2CCOCC2)[C@@H]1C[NH3+] ZINC000043617080 176097451 /nfs/dbraw/zinc/09/74/51/176097451.db2.gz ARGUKTFCNCZSHI-CHWSQXEVSA-N 2 2 241.379 0.378 20 0 BCADLP C[C@@H]1CCN(C(=O)C2C[NH2+]C2)C[C@@H]1n1cc[nH+]c1 ZINC000367861624 176154789 /nfs/dbraw/zinc/15/47/89/176154789.db2.gz STQOTCSDJSOMPA-PWSUYJOCSA-N 2 2 248.330 0.512 20 0 BCADLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1c[nH+]cn1C ZINC000309739133 176184510 /nfs/dbraw/zinc/18/45/10/176184510.db2.gz CYIIXZYGPRQWNY-PSASIEDQSA-N 2 2 222.292 0.034 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cnc2cnccn12 ZINC000333094973 176185170 /nfs/dbraw/zinc/18/51/70/176185170.db2.gz CZTICOHMSCESEG-PWSUYJOCSA-N 2 2 245.330 0.817 20 0 BCADLP C[C@@H]1CC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000669585657 487633575 /nfs/dbraw/zinc/63/35/75/487633575.db2.gz IAEJSVDWUTYTEW-OUAUKWLOSA-N 2 2 240.351 0.069 20 0 BCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000336398430 176266448 /nfs/dbraw/zinc/26/64/48/176266448.db2.gz NUFNPQCFEAWTDQ-BDAKNGLRSA-N 2 2 247.289 0.146 20 0 BCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000336398430 176266449 /nfs/dbraw/zinc/26/64/49/176266449.db2.gz NUFNPQCFEAWTDQ-BDAKNGLRSA-N 2 2 247.289 0.146 20 0 BCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1([S@](C)=O)CC1 ZINC000336775969 176269417 /nfs/dbraw/zinc/26/94/17/176269417.db2.gz DGKSTZAZWYJYIO-GDLVEWKHSA-N 2 2 244.404 0.827 20 0 BCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1([S@](C)=O)CC1 ZINC000336775969 176269419 /nfs/dbraw/zinc/26/94/19/176269419.db2.gz DGKSTZAZWYJYIO-GDLVEWKHSA-N 2 2 244.404 0.827 20 0 BCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cncn1C ZINC000122719955 176269896 /nfs/dbraw/zinc/26/98/96/176269896.db2.gz CSKIKPXECBSZIG-PWSUYJOCSA-N 2 2 222.336 0.850 20 0 BCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cncn1C ZINC000122719955 176269898 /nfs/dbraw/zinc/26/98/98/176269898.db2.gz CSKIKPXECBSZIG-PWSUYJOCSA-N 2 2 222.336 0.850 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1NCC[NH+]1CCCC1 ZINC000336750113 176271735 /nfs/dbraw/zinc/27/17/35/176271735.db2.gz FOSAQYNGIKIKBV-NEPJUHHUSA-N 2 2 211.353 0.622 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1NCC[NH+]1CCCC1 ZINC000336750113 176271736 /nfs/dbraw/zinc/27/17/36/176271736.db2.gz FOSAQYNGIKIKBV-NEPJUHHUSA-N 2 2 211.353 0.622 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](O)C1CCOCC1 ZINC000358164545 176273450 /nfs/dbraw/zinc/27/34/50/176273450.db2.gz ZCYIYRJMURZQQB-KGYLQXTDSA-N 2 2 242.363 0.314 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](O)C1CCOCC1 ZINC000358164545 176273452 /nfs/dbraw/zinc/27/34/52/176273452.db2.gz ZCYIYRJMURZQQB-KGYLQXTDSA-N 2 2 242.363 0.314 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCn1cccn1 ZINC000336748298 176273552 /nfs/dbraw/zinc/27/35/52/176273552.db2.gz DEONHOUQHIARIZ-MNOVXSKESA-N 2 2 208.309 0.423 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCn1cccn1 ZINC000336748298 176273554 /nfs/dbraw/zinc/27/35/54/176273554.db2.gz DEONHOUQHIARIZ-MNOVXSKESA-N 2 2 208.309 0.423 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000362782108 176276259 /nfs/dbraw/zinc/27/62/59/176276259.db2.gz PRTIZROTJHVFBM-GHMZBOCLSA-N 2 2 248.330 0.423 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000362782108 176276261 /nfs/dbraw/zinc/27/62/61/176276261.db2.gz PRTIZROTJHVFBM-GHMZBOCLSA-N 2 2 248.330 0.423 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@]1(C)CCOC1 ZINC000336747927 176277030 /nfs/dbraw/zinc/27/70/30/176277030.db2.gz CXLVPXPGLBJLHZ-IJLUTSLNSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@]1(C)CCOC1 ZINC000336747927 176277031 /nfs/dbraw/zinc/27/70/31/176277031.db2.gz CXLVPXPGLBJLHZ-IJLUTSLNSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC000309808592 176277488 /nfs/dbraw/zinc/27/74/88/176277488.db2.gz SVWHFHYZCLNCOF-MWLCHTKSSA-N 2 2 225.336 0.052 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC000309808592 176277489 /nfs/dbraw/zinc/27/74/89/176277489.db2.gz SVWHFHYZCLNCOF-MWLCHTKSSA-N 2 2 225.336 0.052 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H](O)C(F)F ZINC000308661821 176277678 /nfs/dbraw/zinc/27/76/78/176277678.db2.gz QGWQROVUXRDFKZ-PRJMDXOYSA-N 2 2 208.252 0.152 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H](O)C(F)F ZINC000308661821 176277679 /nfs/dbraw/zinc/27/76/79/176277679.db2.gz QGWQROVUXRDFKZ-PRJMDXOYSA-N 2 2 208.252 0.152 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000309827574 176278118 /nfs/dbraw/zinc/27/81/18/176278118.db2.gz XPQVVEBQCBRIRU-OUAUKWLOSA-N 2 2 225.336 0.147 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000309827574 176278120 /nfs/dbraw/zinc/27/81/20/176278120.db2.gz XPQVVEBQCBRIRU-OUAUKWLOSA-N 2 2 225.336 0.147 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1ncn(C)n1 ZINC000358393191 176281571 /nfs/dbraw/zinc/28/15/71/176281571.db2.gz GESZBEQWHYUKOC-ZYHUDNBSSA-N 2 2 249.362 0.430 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1ncn(C)n1 ZINC000358393191 176281572 /nfs/dbraw/zinc/28/15/72/176281572.db2.gz GESZBEQWHYUKOC-ZYHUDNBSSA-N 2 2 249.362 0.430 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)C(F)F ZINC000309731588 176281728 /nfs/dbraw/zinc/28/17/28/176281728.db2.gz BFOGHLFFAUKLCI-SZEHBUNVSA-N 2 2 234.290 0.685 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)C(F)F ZINC000309731588 176281730 /nfs/dbraw/zinc/28/17/30/176281730.db2.gz BFOGHLFFAUKLCI-SZEHBUNVSA-N 2 2 234.290 0.685 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CC(=O)N(C)C1 ZINC000358078003 176282413 /nfs/dbraw/zinc/28/24/13/176282413.db2.gz CCJXVFSDRUXDBP-JFGNBEQYSA-N 2 2 237.347 0.289 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CC(=O)N(C)C1 ZINC000358078003 176282416 /nfs/dbraw/zinc/28/24/16/176282416.db2.gz CCJXVFSDRUXDBP-JFGNBEQYSA-N 2 2 237.347 0.289 20 0 BCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)CC[C@H]1[NH3+] ZINC000251645091 176283192 /nfs/dbraw/zinc/28/31/92/176283192.db2.gz GCDJRJSGWORBAR-GHMZBOCLSA-N 2 2 225.336 0.278 20 0 BCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)CC[C@H]1[NH3+] ZINC000251645091 176283193 /nfs/dbraw/zinc/28/31/93/176283193.db2.gz GCDJRJSGWORBAR-GHMZBOCLSA-N 2 2 225.336 0.278 20 0 BCADLP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@H](CO)O1 ZINC000191783904 176288905 /nfs/dbraw/zinc/28/89/05/176288905.db2.gz JNBGYNQFDXKSDT-VXGBXAGGSA-N 2 2 239.319 0.355 20 0 BCADLP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@H](CO)O1 ZINC000191783904 176288906 /nfs/dbraw/zinc/28/89/06/176288906.db2.gz JNBGYNQFDXKSDT-VXGBXAGGSA-N 2 2 239.319 0.355 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC[C@H]1O ZINC000310123350 176296687 /nfs/dbraw/zinc/29/66/87/176296687.db2.gz VSTBHJNAYLNRNN-KGYLQXTDSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC[C@H]1O ZINC000310123350 176296688 /nfs/dbraw/zinc/29/66/88/176296688.db2.gz VSTBHJNAYLNRNN-KGYLQXTDSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC[C@H]1O ZINC000310123350 176296689 /nfs/dbraw/zinc/29/66/89/176296689.db2.gz VSTBHJNAYLNRNN-KGYLQXTDSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC[C@H]1O ZINC000310123350 176296690 /nfs/dbraw/zinc/29/66/90/176296690.db2.gz VSTBHJNAYLNRNN-KGYLQXTDSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)CCCO1 ZINC000061934655 176296994 /nfs/dbraw/zinc/29/69/94/176296994.db2.gz QSYNFAZARYNAOR-MNOVXSKESA-N 2 2 214.309 0.086 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)CCCO1 ZINC000061934655 176296996 /nfs/dbraw/zinc/29/69/96/176296996.db2.gz QSYNFAZARYNAOR-MNOVXSKESA-N 2 2 214.309 0.086 20 0 BCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)CCS1 ZINC000309365173 176298977 /nfs/dbraw/zinc/29/89/77/176298977.db2.gz DPCQEHAZQVLCCE-ZYHUDNBSSA-N 2 2 244.404 0.879 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CCS1 ZINC000309365173 176298978 /nfs/dbraw/zinc/29/89/78/176298978.db2.gz DPCQEHAZQVLCCE-ZYHUDNBSSA-N 2 2 244.404 0.879 20 0 BCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)CCS1 ZINC000309365173 176298979 /nfs/dbraw/zinc/29/89/79/176298979.db2.gz DPCQEHAZQVLCCE-ZYHUDNBSSA-N 2 2 244.404 0.879 20 0 BCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CCS1 ZINC000309365173 176298980 /nfs/dbraw/zinc/29/89/80/176298980.db2.gz DPCQEHAZQVLCCE-ZYHUDNBSSA-N 2 2 244.404 0.879 20 0 BCADLP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC[NH2+]1 ZINC000370094798 176373415 /nfs/dbraw/zinc/37/34/15/176373415.db2.gz OYDYAVRCGXPBHE-HRDYMLBCSA-N 2 2 247.289 0.240 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CCOC2)C[N@@H+]1C1CC1 ZINC000231632675 176376274 /nfs/dbraw/zinc/37/62/74/176376274.db2.gz KFHWNQPLMHVGTM-WZRBSPASSA-N 2 2 240.347 0.353 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CCOC2)C[N@H+]1C1CC1 ZINC000231632675 176376276 /nfs/dbraw/zinc/37/62/76/176376276.db2.gz KFHWNQPLMHVGTM-WZRBSPASSA-N 2 2 240.347 0.353 20 0 BCADLP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC([NH3+])CC1 ZINC000034939796 176566734 /nfs/dbraw/zinc/56/67/34/176566734.db2.gz BQFIVWMOVDPHHR-SECBINFHSA-N 2 2 227.352 0.713 20 0 BCADLP C[C@H]1CCCCN1C(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342101517 177072122 /nfs/dbraw/zinc/07/21/22/177072122.db2.gz LEGQISXWWPZCQK-NSHDSACASA-N 2 2 239.363 0.858 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156537722 177170452 /nfs/dbraw/zinc/17/04/52/177170452.db2.gz CLUIEMGUIOHGCJ-DCAQKATOSA-N 2 2 236.319 0.640 20 0 BCADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156537722 177170454 /nfs/dbraw/zinc/17/04/54/177170454.db2.gz CLUIEMGUIOHGCJ-DCAQKATOSA-N 2 2 236.319 0.640 20 0 BCADLP C[C@H]1CCNC(=O)[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000193599199 177173942 /nfs/dbraw/zinc/17/39/42/177173942.db2.gz JFXNHXHJENTHTF-QWRGUYRKSA-N 2 2 236.319 0.387 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000261543049 177174634 /nfs/dbraw/zinc/17/46/34/177174634.db2.gz CRDXNZAZNMXESR-QWRGUYRKSA-N 2 2 236.319 0.387 20 0 BCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CCn1cc[nH+]c1 ZINC000086468219 177216384 /nfs/dbraw/zinc/21/63/84/177216384.db2.gz VYKMGGYILAQSHI-WDEREUQCSA-N 2 2 236.319 0.482 20 0 BCADLP C[C@H]1CN(C(N)=O)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354151076 177232951 /nfs/dbraw/zinc/23/29/51/177232951.db2.gz VHPCWEKJCRYLQP-JTQLQIEISA-N 2 2 240.351 0.165 20 0 BCADLP C[C@H]1CN(C(N)=O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354151076 177232952 /nfs/dbraw/zinc/23/29/52/177232952.db2.gz VHPCWEKJCRYLQP-JTQLQIEISA-N 2 2 240.351 0.165 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1NCC[NH+]1CCCC1 ZINC000336750116 177235717 /nfs/dbraw/zinc/23/57/17/177235717.db2.gz FOSAQYNGIKIKBV-RYUDHWBXSA-N 2 2 211.353 0.622 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1NCC[NH+]1CCCC1 ZINC000336750116 177235719 /nfs/dbraw/zinc/23/57/19/177235719.db2.gz FOSAQYNGIKIKBV-RYUDHWBXSA-N 2 2 211.353 0.622 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCn1cccn1 ZINC000336781406 177237021 /nfs/dbraw/zinc/23/70/21/177237021.db2.gz UPPORKFBWCKVAG-NWDGAFQWSA-N 2 2 222.336 0.813 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCn1cccn1 ZINC000336781406 177237022 /nfs/dbraw/zinc/23/70/22/177237022.db2.gz UPPORKFBWCKVAG-NWDGAFQWSA-N 2 2 222.336 0.813 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)OCCO ZINC000309765685 177237154 /nfs/dbraw/zinc/23/71/54/177237154.db2.gz JNSHXNDGKSLOLE-WDEREUQCSA-N 2 2 230.352 0.314 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)OCCO ZINC000309765685 177237155 /nfs/dbraw/zinc/23/71/55/177237155.db2.gz JNSHXNDGKSLOLE-WDEREUQCSA-N 2 2 230.352 0.314 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCC1(O)CCC1 ZINC000336747876 177237447 /nfs/dbraw/zinc/23/74/47/177237447.db2.gz CVDGBTATGZQEFU-WDEREUQCSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC1(O)CCC1 ZINC000336747876 177237449 /nfs/dbraw/zinc/23/74/49/177237449.db2.gz CVDGBTATGZQEFU-WDEREUQCSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@H](CCO)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000308650905 177239652 /nfs/dbraw/zinc/23/96/52/177239652.db2.gz KIXYCUUNPCISOX-OUAUKWLOSA-N 2 2 200.326 0.545 20 0 BCADLP C[C@H](CCO)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000308650905 177239654 /nfs/dbraw/zinc/23/96/54/177239654.db2.gz KIXYCUUNPCISOX-OUAUKWLOSA-N 2 2 200.326 0.545 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000358077504 177242046 /nfs/dbraw/zinc/24/20/46/177242046.db2.gz BRGQAMPNKJOZQW-LOWVWBTDSA-N 2 2 249.362 0.739 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000358077504 177242048 /nfs/dbraw/zinc/24/20/48/177242048.db2.gz BRGQAMPNKJOZQW-LOWVWBTDSA-N 2 2 249.362 0.739 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(O)CCC1 ZINC000309815238 177243057 /nfs/dbraw/zinc/24/30/57/177243057.db2.gz VDHAIPNPUBGZGL-CMPLNLGQSA-N 2 2 224.348 0.974 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(O)CCC1 ZINC000309815238 177243058 /nfs/dbraw/zinc/24/30/58/177243058.db2.gz VDHAIPNPUBGZGL-CMPLNLGQSA-N 2 2 224.348 0.974 20 0 BCADLP C[C@H]1C[N@H+](CC(=O)N2CCCCC2)CC[C@@H]1[NH3+] ZINC000094342067 177243740 /nfs/dbraw/zinc/24/37/40/177243740.db2.gz JQOGYAOLMCMIOM-RYUDHWBXSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@H]1C[N@@H+](CC(=O)N2CCCCC2)CC[C@@H]1[NH3+] ZINC000094342067 177243742 /nfs/dbraw/zinc/24/37/42/177243742.db2.gz JQOGYAOLMCMIOM-RYUDHWBXSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@H]1CN(CC[NH+]2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000062613183 177250956 /nfs/dbraw/zinc/25/09/56/177250956.db2.gz QTIQQPQATFVVHD-RYUDHWBXSA-N 2 2 227.352 0.001 20 0 BCADLP C[C@H]1C[N@H+](C)CCN1CC[NH+]1CCOC[C@@H]1C ZINC000337191384 177291318 /nfs/dbraw/zinc/29/13/18/177291318.db2.gz SKYGEPDUFOYWKQ-STQMWFEESA-N 2 2 241.379 0.343 20 0 BCADLP C[C@H]1C[N@@H+](C)CCN1CC[NH+]1CCOC[C@@H]1C ZINC000337191384 177291320 /nfs/dbraw/zinc/29/13/20/177291320.db2.gz SKYGEPDUFOYWKQ-STQMWFEESA-N 2 2 241.379 0.343 20 0 BCADLP C[C@H]1C[NH+](C)CCN1CC[N@@H+]1CCOC[C@@H]1C ZINC000337191384 177291321 /nfs/dbraw/zinc/29/13/21/177291321.db2.gz SKYGEPDUFOYWKQ-STQMWFEESA-N 2 2 241.379 0.343 20 0 BCADLP C[C@H]1C[NH+](C)CCN1CC[N@H+]1CCOC[C@@H]1C ZINC000337191384 177291323 /nfs/dbraw/zinc/29/13/23/177291323.db2.gz SKYGEPDUFOYWKQ-STQMWFEESA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1C[C@H](C)[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000336622755 177319858 /nfs/dbraw/zinc/31/98/58/177319858.db2.gz LIBNKFSMYSRUKQ-PHIMTYICSA-N 2 2 225.336 0.243 20 0 BCADLP C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000336622755 177319859 /nfs/dbraw/zinc/31/98/59/177319859.db2.gz LIBNKFSMYSRUKQ-PHIMTYICSA-N 2 2 225.336 0.243 20 0 BCADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NC2CC2)CC[N@@H+]1C ZINC000123797050 177326899 /nfs/dbraw/zinc/32/68/99/177326899.db2.gz GFFUGUXFLZFVIA-JQWIXIFHSA-N 2 2 239.363 0.680 20 0 BCADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NC2CC2)CC[N@H+]1C ZINC000123797050 177326900 /nfs/dbraw/zinc/32/69/00/177326900.db2.gz GFFUGUXFLZFVIA-JQWIXIFHSA-N 2 2 239.363 0.680 20 0 BCADLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NC2CC2)CC[NH+]1C ZINC000123797050 177326901 /nfs/dbraw/zinc/32/69/01/177326901.db2.gz GFFUGUXFLZFVIA-JQWIXIFHSA-N 2 2 239.363 0.680 20 0 BCADLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NC2CC2)CC[NH+]1C ZINC000123797050 177326902 /nfs/dbraw/zinc/32/69/02/177326902.db2.gz GFFUGUXFLZFVIA-JQWIXIFHSA-N 2 2 239.363 0.680 20 0 BCADLP C[C@H]1C[C@@H](NCC[NH+]2CCC2)CC[N@@H+]1C ZINC000309098292 177332044 /nfs/dbraw/zinc/33/20/44/177332044.db2.gz DOYRWRDJQGZENF-RYUDHWBXSA-N 2 2 211.353 0.764 20 0 BCADLP C[C@H]1C[C@@H](NCC[NH+]2CCC2)CC[N@H+]1C ZINC000309098292 177332045 /nfs/dbraw/zinc/33/20/45/177332045.db2.gz DOYRWRDJQGZENF-RYUDHWBXSA-N 2 2 211.353 0.764 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000335593285 177395398 /nfs/dbraw/zinc/39/53/98/177395398.db2.gz AGWFFXHNJDSZRU-SCZZXKLOSA-N 2 2 222.292 0.414 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000335593285 177395399 /nfs/dbraw/zinc/39/53/99/177395399.db2.gz AGWFFXHNJDSZRU-SCZZXKLOSA-N 2 2 222.292 0.414 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000296526350 177396073 /nfs/dbraw/zinc/39/60/73/177396073.db2.gz SHOFSYUEFKQIMS-PSASIEDQSA-N 2 2 234.303 0.990 20 0 BCADLP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000226016918 487643681 /nfs/dbraw/zinc/64/36/81/487643681.db2.gz MMGHKXWGJLSOGM-VXGBXAGGSA-N 3 2 229.368 0.424 20 0 BCADLP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCC[N@H+]1C ZINC000226016918 487643683 /nfs/dbraw/zinc/64/36/83/487643683.db2.gz MMGHKXWGJLSOGM-VXGBXAGGSA-N 3 2 229.368 0.424 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(N)=O)C1 ZINC000393919987 487644873 /nfs/dbraw/zinc/64/48/73/487644873.db2.gz GBKALCBABQXHDR-UWVGGRQHSA-N 2 2 213.325 0.324 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(N)=O)C1 ZINC000393919987 487644881 /nfs/dbraw/zinc/64/48/81/487644881.db2.gz GBKALCBABQXHDR-UWVGGRQHSA-N 2 2 213.325 0.324 20 0 BCADLP O=C(C=Cc1c[nH]c[nH+]1)NCC[NH+]1CCC1 ZINC000492899401 226077889 /nfs/dbraw/zinc/07/78/89/226077889.db2.gz MGBTZURYOWVCSD-IHWYPQMZSA-N 2 2 220.276 0.245 20 0 BCADLP Cn1c[nH+]cc1CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493147532 226139623 /nfs/dbraw/zinc/13/96/23/226139623.db2.gz HYDNAIBAMCXPQV-NSCUHMNNSA-N 2 2 245.286 0.515 20 0 BCADLP C[NH+](C)[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000493265242 226170294 /nfs/dbraw/zinc/17/02/94/226170294.db2.gz MNLSPONUDLPVBN-FJOGCWAESA-N 2 2 248.330 0.879 20 0 BCADLP O=C(/C=C\c1[nH]cc[nH+]1)N1CC[NH+](C2CC2)CC1 ZINC000493795416 226254471 /nfs/dbraw/zinc/25/44/71/226254471.db2.gz VIBVJWWAALCQSR-ARJAWSKDSA-N 2 2 246.314 0.730 20 0 BCADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000494913020 226271414 /nfs/dbraw/zinc/27/14/14/226271414.db2.gz VXIILEPHTNMHHF-JTQLQIEISA-N 2 2 241.379 0.973 20 0 BCADLP C[C@@H]1C[C@H](O)C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000401671004 226361059 /nfs/dbraw/zinc/36/10/59/226361059.db2.gz VGNBTENSHZPZAI-KGYLQXTDSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1C[C@H](O)C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000401671004 226361060 /nfs/dbraw/zinc/36/10/60/226361060.db2.gz VGNBTENSHZPZAI-KGYLQXTDSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1C[C@H](O)C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000401671004 226361061 /nfs/dbraw/zinc/36/10/61/226361061.db2.gz VGNBTENSHZPZAI-KGYLQXTDSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1C[C@H](O)C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000401671004 226361062 /nfs/dbraw/zinc/36/10/62/226361062.db2.gz VGNBTENSHZPZAI-KGYLQXTDSA-N 2 2 242.363 0.144 20 0 BCADLP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000680827495 487650304 /nfs/dbraw/zinc/65/03/04/487650304.db2.gz ZOYDCSCNYXXSMD-CABZTGNLSA-N 2 2 238.335 0.435 20 0 BCADLP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000680827495 487650309 /nfs/dbraw/zinc/65/03/09/487650309.db2.gz ZOYDCSCNYXXSMD-CABZTGNLSA-N 2 2 238.335 0.435 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[NH2+]CC1 ZINC000313900219 487653273 /nfs/dbraw/zinc/65/32/73/487653273.db2.gz REVAAPNDAMAQEU-UHFFFAOYSA-N 3 2 222.336 0.648 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[NH2+]CC1 ZINC000313900219 487653277 /nfs/dbraw/zinc/65/32/77/487653277.db2.gz REVAAPNDAMAQEU-UHFFFAOYSA-N 3 2 222.336 0.648 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226029704 487654149 /nfs/dbraw/zinc/65/41/49/487654149.db2.gz IJPKQJFANOKOGC-NWDGAFQWSA-N 2 2 241.379 0.962 20 0 BCADLP CCCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226029704 487654156 /nfs/dbraw/zinc/65/41/56/487654156.db2.gz IJPKQJFANOKOGC-NWDGAFQWSA-N 2 2 241.379 0.962 20 0 BCADLP CCCCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613520 487671496 /nfs/dbraw/zinc/67/14/96/487671496.db2.gz NOIUZCYMYPJELU-NSHDSACASA-N 2 2 227.352 0.668 20 0 BCADLP CCCCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613520 487671492 /nfs/dbraw/zinc/67/14/92/487671492.db2.gz NOIUZCYMYPJELU-NSHDSACASA-N 2 2 227.352 0.668 20 0 BCADLP CCCCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000087613521 487671746 /nfs/dbraw/zinc/67/17/46/487671746.db2.gz NOIUZCYMYPJELU-LLVKDONJSA-N 2 2 227.352 0.668 20 0 BCADLP CCCCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000087613521 487671749 /nfs/dbraw/zinc/67/17/49/487671749.db2.gz NOIUZCYMYPJELU-LLVKDONJSA-N 2 2 227.352 0.668 20 0 BCADLP C[C@H](N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)C1(C)CC1 ZINC000653103567 487678493 /nfs/dbraw/zinc/67/84/93/487678493.db2.gz MADGLPPHFNHJHA-WDEREUQCSA-N 2 2 241.379 0.912 20 0 BCADLP CC(C)[C@@H]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653103865 487679074 /nfs/dbraw/zinc/67/90/74/487679074.db2.gz VMTFCEZOUQPQMN-VXGBXAGGSA-N 2 2 241.379 0.770 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCO[C@H](C)C1 ZINC000384031437 487688791 /nfs/dbraw/zinc/68/87/91/487688791.db2.gz STYNNCKFPMNSBJ-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCO[C@H](C)C1 ZINC000384031437 487688794 /nfs/dbraw/zinc/68/87/94/487688794.db2.gz STYNNCKFPMNSBJ-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCO[C@H](C)C1 ZINC000384031437 487688797 /nfs/dbraw/zinc/68/87/97/487688797.db2.gz STYNNCKFPMNSBJ-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCO[C@H](C)C1 ZINC000384031437 487688802 /nfs/dbraw/zinc/68/88/02/487688802.db2.gz STYNNCKFPMNSBJ-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+]Cc1ccon1 ZINC000088053779 487696157 /nfs/dbraw/zinc/69/61/57/487696157.db2.gz CKJZCSCNQFVEEZ-UHFFFAOYSA-N 2 2 206.249 0.969 20 0 BCADLP [NH3+][C@@H]1CCC[C@H]([NH2+]CC(F)(F)CO)C1 ZINC000228648186 487700007 /nfs/dbraw/zinc/70/00/07/487700007.db2.gz ZHRLNMPZKMCIFF-SFYZADRCSA-N 2 2 208.252 0.474 20 0 BCADLP Cc1nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)nc(N)[nH+]1 ZINC000383608083 487719597 /nfs/dbraw/zinc/71/95/97/487719597.db2.gz RXMAUPQLDNKZRP-VXNVDRBHSA-N 2 2 236.323 0.657 20 0 BCADLP Cc1nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc(N)[nH+]1 ZINC000383608083 487719607 /nfs/dbraw/zinc/71/96/07/487719607.db2.gz RXMAUPQLDNKZRP-VXNVDRBHSA-N 2 2 236.323 0.657 20 0 BCADLP Cc1nc(N)nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)[nH+]1 ZINC000383608083 487719612 /nfs/dbraw/zinc/71/96/12/487719612.db2.gz RXMAUPQLDNKZRP-VXNVDRBHSA-N 2 2 236.323 0.657 20 0 BCADLP Cc1nc(N)nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)[nH+]1 ZINC000383608083 487719617 /nfs/dbraw/zinc/71/96/17/487719617.db2.gz RXMAUPQLDNKZRP-VXNVDRBHSA-N 2 2 236.323 0.657 20 0 BCADLP CCn1ncnc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000088589721 487738815 /nfs/dbraw/zinc/73/88/15/487738815.db2.gz SRFFZGOHTFTXQP-LLVKDONJSA-N 2 2 249.362 0.872 20 0 BCADLP CCn1ncnc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000088589721 487738820 /nfs/dbraw/zinc/73/88/20/487738820.db2.gz SRFFZGOHTFTXQP-LLVKDONJSA-N 2 2 249.362 0.872 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCc2cnn(C)c2)CCO1 ZINC000226432744 487744557 /nfs/dbraw/zinc/74/45/57/487744557.db2.gz JOMUZOFTSLQXCR-PWSUYJOCSA-N 2 2 238.335 0.011 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCc2cnn(C)c2)CCO1 ZINC000226432744 487744559 /nfs/dbraw/zinc/74/45/59/487744559.db2.gz JOMUZOFTSLQXCR-PWSUYJOCSA-N 2 2 238.335 0.011 20 0 BCADLP O=C(CCC1CC[NH2+]CC1)NCc1c[nH+]c[nH]1 ZINC000088751112 487749440 /nfs/dbraw/zinc/74/94/40/487749440.db2.gz HITCOSQGNZMJBM-UHFFFAOYSA-N 2 2 236.319 0.806 20 0 BCADLP O=C(CCC1CC[NH2+]CC1)NCc1c[nH]c[nH+]1 ZINC000088751112 487749448 /nfs/dbraw/zinc/74/94/48/487749448.db2.gz HITCOSQGNZMJBM-UHFFFAOYSA-N 2 2 236.319 0.806 20 0 BCADLP Cn1ncc2c1nc[nH+]c2N[C@@H]1CCC[NH2+]CC1 ZINC000226473351 487752876 /nfs/dbraw/zinc/75/28/76/487752876.db2.gz YDTXOJIENQPYTG-SECBINFHSA-N 2 2 246.318 0.917 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000082922140 487754327 /nfs/dbraw/zinc/75/43/27/487754327.db2.gz FZBRHJVKYRZCIP-JGVFFNPUSA-N 2 2 208.265 0.153 20 0 BCADLP CCc1nn(C)cc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000234140086 487764225 /nfs/dbraw/zinc/76/42/25/487764225.db2.gz XKLLMWVDOXXVRS-LLVKDONJSA-N 2 2 222.336 0.824 20 0 BCADLP COc1ccccc1CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000226610280 487767355 /nfs/dbraw/zinc/76/73/55/487767355.db2.gz KMWUHDYBGJLQQF-ZDUSSCGKSA-N 2 2 249.358 0.770 20 0 BCADLP COc1ccccc1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000226610280 487767362 /nfs/dbraw/zinc/76/73/62/487767362.db2.gz KMWUHDYBGJLQQF-ZDUSSCGKSA-N 2 2 249.358 0.770 20 0 BCADLP C[C@@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)CCCO1 ZINC000251843719 487803124 /nfs/dbraw/zinc/80/31/24/487803124.db2.gz QSYNFAZARYNAOR-GHMZBOCLSA-N 2 2 214.309 0.086 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)CCCO1 ZINC000251843719 487803130 /nfs/dbraw/zinc/80/31/30/487803130.db2.gz QSYNFAZARYNAOR-GHMZBOCLSA-N 2 2 214.309 0.086 20 0 BCADLP CC[C@H]1C[N@H+](CC(=O)NC(C)C)CC[C@H]1[NH3+] ZINC000251862930 487803582 /nfs/dbraw/zinc/80/35/82/487803582.db2.gz SZORBOFTGOGMEK-WDEREUQCSA-N 2 2 227.352 0.570 20 0 BCADLP CC[C@H]1C[N@@H+](CC(=O)NC(C)C)CC[C@H]1[NH3+] ZINC000251862930 487803585 /nfs/dbraw/zinc/80/35/85/487803585.db2.gz SZORBOFTGOGMEK-WDEREUQCSA-N 2 2 227.352 0.570 20 0 BCADLP CC[C@@H]1C[N@H+](CC(=O)NCC(C)C)CC[C@H]1[NH3+] ZINC000251877233 487804900 /nfs/dbraw/zinc/80/49/00/487804900.db2.gz UXMFQEXNBDGNBW-VXGBXAGGSA-N 2 2 241.379 0.818 20 0 BCADLP CC[C@@H]1C[N@@H+](CC(=O)NCC(C)C)CC[C@H]1[NH3+] ZINC000251877233 487804903 /nfs/dbraw/zinc/80/49/03/487804903.db2.gz UXMFQEXNBDGNBW-VXGBXAGGSA-N 2 2 241.379 0.818 20 0 BCADLP CO[C@H](C)C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000223952444 487806445 /nfs/dbraw/zinc/80/64/45/487806445.db2.gz LYTFZAUGFMREEX-HBNTYKKESA-N 2 2 216.325 0.378 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414412 487823925 /nfs/dbraw/zinc/82/39/25/487823925.db2.gz HQQVIBJCJMPZPU-OUAUKWLOSA-N 2 2 225.336 0.324 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414412 487823930 /nfs/dbraw/zinc/82/39/30/487823930.db2.gz HQQVIBJCJMPZPU-OUAUKWLOSA-N 2 2 225.336 0.324 20 0 BCADLP CCc1noc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000252698591 487829672 /nfs/dbraw/zinc/82/96/72/487829672.db2.gz NYSJZTFIYTVKBJ-RKDXNWHRSA-N 2 2 224.308 0.801 20 0 BCADLP CCc1noc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000252698591 487829674 /nfs/dbraw/zinc/82/96/74/487829674.db2.gz NYSJZTFIYTVKBJ-RKDXNWHRSA-N 2 2 224.308 0.801 20 0 BCADLP CC(C)[N@H+](C)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492775577 528818308 /nfs/dbraw/zinc/81/83/08/528818308.db2.gz YEYDWXMXHMMSRV-PLNGDYQASA-N 2 2 236.319 0.879 20 0 BCADLP CC(C)[N@@H+](C)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492775577 528818312 /nfs/dbraw/zinc/81/83/12/528818312.db2.gz YEYDWXMXHMMSRV-PLNGDYQASA-N 2 2 236.319 0.879 20 0 BCADLP C[NH+](C)C1(C(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000668996073 487845217 /nfs/dbraw/zinc/84/52/17/487845217.db2.gz ULSBWIFXMLGTNN-UHFFFAOYSA-N 2 2 208.265 0.120 20 0 BCADLP C[C@@H]1[C@H](C)SCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000253085530 487848310 /nfs/dbraw/zinc/84/83/10/487848310.db2.gz ZRXGGYXLDUNPJK-OUAUKWLOSA-N 2 2 230.377 0.801 20 0 BCADLP C[C@@H]1[C@H](C)SCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000253085530 487848314 /nfs/dbraw/zinc/84/83/14/487848314.db2.gz ZRXGGYXLDUNPJK-OUAUKWLOSA-N 2 2 230.377 0.801 20 0 BCADLP O=C(Cn1cc[nH+]c1)NCCCCn1cc[nH+]c1 ZINC000564637969 322954803 /nfs/dbraw/zinc/95/48/03/322954803.db2.gz JRQGRXILZFGBGY-UHFFFAOYSA-N 2 2 247.302 0.676 20 0 BCADLP Cc1nnsc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000307686813 487858012 /nfs/dbraw/zinc/85/80/12/487858012.db2.gz KJIVTRMBSPMBRM-MRVPVSSYSA-N 2 2 212.322 0.627 20 0 BCADLP Cc1nnsc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000307686813 487858016 /nfs/dbraw/zinc/85/80/16/487858016.db2.gz KJIVTRMBSPMBRM-MRVPVSSYSA-N 2 2 212.322 0.627 20 0 BCADLP NC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCC[NH3+] ZINC000666689621 487860767 /nfs/dbraw/zinc/86/07/67/487860767.db2.gz VZYIKXXTAAIMNR-LBPRGKRZSA-N 2 2 233.315 0.420 20 0 BCADLP NC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCC[NH3+] ZINC000666689621 487860771 /nfs/dbraw/zinc/86/07/71/487860771.db2.gz VZYIKXXTAAIMNR-LBPRGKRZSA-N 2 2 233.315 0.420 20 0 BCADLP C[N@@H+]1C[C@@H]2CCN(Cc3c[nH+]c4n3CCC4)[C@@H]2C1 ZINC000668186518 487868718 /nfs/dbraw/zinc/86/87/18/487868718.db2.gz KWEIDMPLJANZMY-WCQYABFASA-N 2 2 246.358 0.965 20 0 BCADLP C[N@H+]1C[C@@H]2CCN(Cc3c[nH+]c4n3CCC4)[C@@H]2C1 ZINC000668186518 487868720 /nfs/dbraw/zinc/86/87/20/487868720.db2.gz KWEIDMPLJANZMY-WCQYABFASA-N 2 2 246.358 0.965 20 0 BCADLP Cc1nnsc1C[NH+]1CCC([NH3+])CC1 ZINC000306797288 487874726 /nfs/dbraw/zinc/87/47/26/487874726.db2.gz XVBWYTVRCSLWLO-UHFFFAOYSA-N 2 2 212.322 0.770 20 0 BCADLP COC1(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CCOCC1 ZINC000676571903 487874912 /nfs/dbraw/zinc/87/49/12/487874912.db2.gz XWAHKDZPOMVNHG-NWDGAFQWSA-N 2 2 242.363 0.722 20 0 BCADLP COC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CCOCC1 ZINC000676571903 487874924 /nfs/dbraw/zinc/87/49/24/487874924.db2.gz XWAHKDZPOMVNHG-NWDGAFQWSA-N 2 2 242.363 0.722 20 0 BCADLP COC[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000234798456 487878825 /nfs/dbraw/zinc/87/88/25/487878825.db2.gz ZXDHFJKFZGNLHZ-RYUDHWBXSA-N 2 2 228.336 0.333 20 0 BCADLP COC[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000234798456 487878831 /nfs/dbraw/zinc/87/88/31/487878831.db2.gz ZXDHFJKFZGNLHZ-RYUDHWBXSA-N 2 2 228.336 0.333 20 0 BCADLP COC[C@@H](C)C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666947573 487889531 /nfs/dbraw/zinc/88/95/31/487889531.db2.gz BJOOHZFNQLEHLD-GUBZILKMSA-N 2 2 204.289 0.559 20 0 BCADLP Cn1cc(C[N@H+](C)CC2C[NH+](C)C2)cn1 ZINC000668537475 487901290 /nfs/dbraw/zinc/90/12/90/487901290.db2.gz HOZMFRZOGBTXBF-UHFFFAOYSA-N 2 2 208.309 0.414 20 0 BCADLP Cn1cc(C[N@@H+](C)CC2C[NH+](C)C2)cn1 ZINC000668537475 487901292 /nfs/dbraw/zinc/90/12/92/487901292.db2.gz HOZMFRZOGBTXBF-UHFFFAOYSA-N 2 2 208.309 0.414 20 0 BCADLP Cc1c[nH+]c(C)nc1NCCC[NH+](C)C ZINC000578143521 487904114 /nfs/dbraw/zinc/90/41/14/487904114.db2.gz ROLSXWNVVOWVHK-UHFFFAOYSA-N 2 2 208.309 1.457 20 0 BCADLP CCn1cc[nH+]c1CN[C@@H]1C[NH2+]CCC1(F)F ZINC000666925955 487907843 /nfs/dbraw/zinc/90/78/43/487907843.db2.gz JTBZYOWKGCTEQZ-SECBINFHSA-N 2 2 244.289 0.990 20 0 BCADLP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946490 487911319 /nfs/dbraw/zinc/91/13/19/487911319.db2.gz FJXSZOFUXOPLTK-XKNYDFJKSA-N 2 2 202.273 0.453 20 0 BCADLP CCOC[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946912 487911070 /nfs/dbraw/zinc/91/10/70/487911070.db2.gz SRLFGECWGQZNCL-UTLUCORTSA-N 2 2 204.289 0.701 20 0 BCADLP CC[C@H](COC)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666948002 487912423 /nfs/dbraw/zinc/91/24/23/487912423.db2.gz OWXVAVCQBWYKQB-AEJSXWLSSA-N 2 2 204.289 0.701 20 0 BCADLP C[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)CC[C@H]1[NH3+] ZINC000652335887 487924602 /nfs/dbraw/zinc/92/46/02/487924602.db2.gz NZWOZJHBSGELIW-ZWNOBZJWSA-N 2 2 234.347 0.998 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)CC[C@H]1[NH3+] ZINC000652335887 487924606 /nfs/dbraw/zinc/92/46/06/487924606.db2.gz NZWOZJHBSGELIW-ZWNOBZJWSA-N 2 2 234.347 0.998 20 0 BCADLP CC(C)[NH+]1CCC([NH2+]Cc2cn(C)nn2)CC1 ZINC000054859004 487932299 /nfs/dbraw/zinc/93/22/99/487932299.db2.gz RPVIFVSVHALCCP-UHFFFAOYSA-N 2 2 237.351 0.778 20 0 BCADLP [NH3+]CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652364132 487933090 /nfs/dbraw/zinc/93/30/90/487933090.db2.gz ZBIBWFNUHDGDTP-TUAOUCFPSA-N 2 2 227.352 0.306 20 0 BCADLP [NH3+]CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652364132 487933097 /nfs/dbraw/zinc/93/30/97/487933097.db2.gz ZBIBWFNUHDGDTP-TUAOUCFPSA-N 2 2 227.352 0.306 20 0 BCADLP NC(=O)C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000676881318 487938286 /nfs/dbraw/zinc/93/82/86/487938286.db2.gz SDEUDRDUAAHZAR-NSHDSACASA-N 2 2 236.319 0.471 20 0 BCADLP NC(=O)C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000676881318 487938289 /nfs/dbraw/zinc/93/82/89/487938289.db2.gz SDEUDRDUAAHZAR-NSHDSACASA-N 2 2 236.319 0.471 20 0 BCADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1CCCC1 ZINC000653062874 487946193 /nfs/dbraw/zinc/94/61/93/487946193.db2.gz MPRGIDDQLYVYJF-LLVKDONJSA-N 2 2 227.352 0.666 20 0 BCADLP Nc1ccc(NC(=O)CCCC[NH3+])c[nH+]1 ZINC000309602278 322964089 /nfs/dbraw/zinc/96/40/89/322964089.db2.gz KIJNWSRTAMKGKI-UHFFFAOYSA-N 2 2 208.265 0.731 20 0 BCADLP Cc1noc(CCC[N@@H+]2CC[C@H]([NH3+])C2)n1 ZINC000572602992 323038305 /nfs/dbraw/zinc/03/83/05/323038305.db2.gz KQGZGMMQWPPRES-VIFPVBQESA-N 2 2 210.281 0.344 20 0 BCADLP Cc1noc(CCC[N@H+]2CC[C@H]([NH3+])C2)n1 ZINC000572602992 323038306 /nfs/dbraw/zinc/03/83/06/323038306.db2.gz KQGZGMMQWPPRES-VIFPVBQESA-N 2 2 210.281 0.344 20 0 BCADLP COC(=O)C1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000569723750 323038848 /nfs/dbraw/zinc/03/88/48/323038848.db2.gz MJQYAHIVGZRWSP-MRVPVSSYSA-N 2 2 200.282 0.219 20 0 BCADLP CN(C(=O)CCn1cc[nH+]c1)[C@@H](C[NH3+])C1CC1 ZINC000159797076 323048071 /nfs/dbraw/zinc/04/80/71/323048071.db2.gz MQGRKQMZDWGGAP-NSHDSACASA-N 2 2 236.319 0.469 20 0 BCADLP COCC[NH2+]Cc1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000570396081 323058324 /nfs/dbraw/zinc/05/83/24/323058324.db2.gz QEWDGJURMJZUIG-VIFPVBQESA-N 2 2 242.323 0.852 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC(C(C)(C)O)C1 ZINC000570411036 323058895 /nfs/dbraw/zinc/05/88/95/323058895.db2.gz SUPPHIIVTJYHIK-LLVKDONJSA-N 2 2 230.352 0.002 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C(C)(C)O)C1 ZINC000570411036 323058896 /nfs/dbraw/zinc/05/88/96/323058896.db2.gz SUPPHIIVTJYHIK-LLVKDONJSA-N 2 2 230.352 0.002 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000570695552 323067532 /nfs/dbraw/zinc/06/75/32/323067532.db2.gz WXRJJKYXHRAFLA-GFCCVEGCSA-N 2 2 235.331 0.809 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000570695552 323067533 /nfs/dbraw/zinc/06/75/33/323067533.db2.gz WXRJJKYXHRAFLA-GFCCVEGCSA-N 2 2 235.331 0.809 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000570695553 323067630 /nfs/dbraw/zinc/06/76/30/323067630.db2.gz WXRJJKYXHRAFLA-LBPRGKRZSA-N 2 2 235.331 0.809 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000570695553 323067631 /nfs/dbraw/zinc/06/76/31/323067631.db2.gz WXRJJKYXHRAFLA-LBPRGKRZSA-N 2 2 235.331 0.809 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(F)C1 ZINC000572659706 323072717 /nfs/dbraw/zinc/07/27/17/323072717.db2.gz NWSIMJGKJXQGCQ-GHMZBOCLSA-N 2 2 218.316 0.733 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(F)C1 ZINC000572659706 323072718 /nfs/dbraw/zinc/07/27/18/323072718.db2.gz NWSIMJGKJXQGCQ-GHMZBOCLSA-N 2 2 218.316 0.733 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000572659706 323072719 /nfs/dbraw/zinc/07/27/19/323072719.db2.gz NWSIMJGKJXQGCQ-GHMZBOCLSA-N 2 2 218.316 0.733 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000572659706 323072720 /nfs/dbraw/zinc/07/27/20/323072720.db2.gz NWSIMJGKJXQGCQ-GHMZBOCLSA-N 2 2 218.316 0.733 20 0 BCADLP C[N@@H+]1CC[C@@H]([NH2+]CCC(N)=O)[C@H]1c1ccccc1 ZINC000570920596 323074213 /nfs/dbraw/zinc/07/42/13/323074213.db2.gz QJFKPYWXMIAGJS-TZMCWYRMSA-N 2 2 247.342 0.897 20 0 BCADLP C[N@H+]1CC[C@@H]([NH2+]CCC(N)=O)[C@H]1c1ccccc1 ZINC000570920596 323074214 /nfs/dbraw/zinc/07/42/14/323074214.db2.gz QJFKPYWXMIAGJS-TZMCWYRMSA-N 2 2 247.342 0.897 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000493092833 323085393 /nfs/dbraw/zinc/08/53/93/323085393.db2.gz IQKZCELUDXJWSL-WYGGZMRJSA-N 2 2 248.330 0.737 20 0 BCADLP CCN(C)C(=O)CC[N@H+](C)[C@H]1CC[NH2+]C1 ZINC000563153028 323095914 /nfs/dbraw/zinc/09/59/14/323095914.db2.gz JQBGFFXWGVWUSG-JTQLQIEISA-N 2 2 213.325 0.149 20 0 BCADLP CCN(C)C(=O)CC[N@@H+](C)[C@H]1CC[NH2+]C1 ZINC000563153028 323095915 /nfs/dbraw/zinc/09/59/15/323095915.db2.gz JQBGFFXWGVWUSG-JTQLQIEISA-N 2 2 213.325 0.149 20 0 BCADLP C[C@H]([NH3+])[C@H](C)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000563207480 323101934 /nfs/dbraw/zinc/10/19/34/323101934.db2.gz OGCKWCZDFLJPQE-UWVGGRQHSA-N 2 2 246.314 0.729 20 0 BCADLP CC(=O)NCC[N@@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000571047371 323105354 /nfs/dbraw/zinc/10/53/54/323105354.db2.gz SEXMWENRFGSDGT-NSHDSACASA-N 2 2 215.341 0.428 20 0 BCADLP CC(=O)NCC[N@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000571047371 323105355 /nfs/dbraw/zinc/10/53/55/323105355.db2.gz SEXMWENRFGSDGT-NSHDSACASA-N 2 2 215.341 0.428 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@](C)(O)C[NH2+]C)CCO1 ZINC000563271318 323107229 /nfs/dbraw/zinc/10/72/29/323107229.db2.gz PTTXJSFSSBWYQM-GHMZBOCLSA-N 2 2 216.325 0.068 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@](C)(O)C[NH2+]C)CCO1 ZINC000563271318 323107230 /nfs/dbraw/zinc/10/72/30/323107230.db2.gz PTTXJSFSSBWYQM-GHMZBOCLSA-N 2 2 216.325 0.068 20 0 BCADLP C[C@@H](CC(=O)N(C)C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000531729199 323111723 /nfs/dbraw/zinc/11/17/23/323111723.db2.gz NDLJHFNSMMEGLF-RYUDHWBXSA-N 2 2 241.379 0.785 20 0 BCADLP C[C@@H](CC(=O)N(C)C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000531729199 323111724 /nfs/dbraw/zinc/11/17/24/323111724.db2.gz NDLJHFNSMMEGLF-RYUDHWBXSA-N 2 2 241.379 0.785 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)CC(F)(F)C[NH3+] ZINC000563339709 323119305 /nfs/dbraw/zinc/11/93/05/323119305.db2.gz WZOSFUARTZMUCP-UHFFFAOYSA-N 2 2 229.230 0.735 20 0 BCADLP CCn1cc[nH+]c1CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000310126461 323128222 /nfs/dbraw/zinc/12/82/22/323128222.db2.gz GBAKGRTWNAARFM-NWDGAFQWSA-N 2 2 234.347 0.944 20 0 BCADLP CCn1cc[nH+]c1CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000310126464 323128276 /nfs/dbraw/zinc/12/82/76/323128276.db2.gz GBAKGRTWNAARFM-RYUDHWBXSA-N 2 2 234.347 0.944 20 0 BCADLP COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1CCC[NH3+] ZINC000414757336 323151519 /nfs/dbraw/zinc/15/15/19/323151519.db2.gz LAGUEXYLHWZFNE-VHSXEESVSA-N 2 2 214.309 0.609 20 0 BCADLP COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1CCC[NH3+] ZINC000414757336 323151520 /nfs/dbraw/zinc/15/15/20/323151520.db2.gz LAGUEXYLHWZFNE-VHSXEESVSA-N 2 2 214.309 0.609 20 0 BCADLP C[NH+]1CCC([N@H+](CCO)CC2CC2)CC1 ZINC000305083430 323166997 /nfs/dbraw/zinc/16/69/97/323166997.db2.gz RVNIMTMZBFNFLR-UHFFFAOYSA-N 2 2 212.337 0.785 20 0 BCADLP C[NH+]1CCC([N@@H+](CCO)CC2CC2)CC1 ZINC000305083430 323166998 /nfs/dbraw/zinc/16/69/98/323166998.db2.gz RVNIMTMZBFNFLR-UHFFFAOYSA-N 2 2 212.337 0.785 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]CC1(F)CC1 ZINC000308929849 323181779 /nfs/dbraw/zinc/18/17/79/323181779.db2.gz JDBGPYOXEISYDQ-JTQLQIEISA-N 2 2 215.316 0.324 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]CC1(F)CC1 ZINC000308929849 323181780 /nfs/dbraw/zinc/18/17/80/323181780.db2.gz JDBGPYOXEISYDQ-JTQLQIEISA-N 2 2 215.316 0.324 20 0 BCADLP CC(C)OC(=O)CC[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000563887742 323183273 /nfs/dbraw/zinc/18/32/73/323183273.db2.gz PLZPARLQRHJMJH-SNVBAGLBSA-N 2 2 214.309 0.622 20 0 BCADLP CC(C)OC(=O)CC[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000563887742 323183274 /nfs/dbraw/zinc/18/32/74/323183274.db2.gz PLZPARLQRHJMJH-SNVBAGLBSA-N 2 2 214.309 0.622 20 0 BCADLP O=C(CC[C@@H]1CC[NH2+]C1)Nc1cc[nH+]cc1O ZINC000519395084 323198602 /nfs/dbraw/zinc/19/86/02/323198602.db2.gz ZPMLWRGEPJJVLG-SECBINFHSA-N 2 2 235.287 0.537 20 0 BCADLP C[C@H](NC[C@H]1COCC[NH2+]1)c1c[nH+]ccc1N ZINC000530226278 323219533 /nfs/dbraw/zinc/21/95/33/323219533.db2.gz QXPXYBYAGDNMSH-UWVGGRQHSA-N 2 2 236.319 0.133 20 0 BCADLP C[C@H]([NH2+]C[C@H]1COCCN1)c1c[nH+]ccc1N ZINC000530226278 323219534 /nfs/dbraw/zinc/21/95/34/323219534.db2.gz QXPXYBYAGDNMSH-UWVGGRQHSA-N 2 2 236.319 0.133 20 0 BCADLP CC[C@@H](C(=O)N1CC[NH+](C2CC2)CC1)[NH+](C)C ZINC000152467094 323332348 /nfs/dbraw/zinc/33/23/48/323332348.db2.gz LRKMCNIZDAYQEK-LBPRGKRZSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@@H](CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)n1cc[nH+]c1 ZINC000563968971 323335273 /nfs/dbraw/zinc/33/52/73/323335273.db2.gz WSBYDDMNSDQNSB-SDDRHHMPSA-N 2 2 248.330 0.512 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H](C)C[C@@H](C)O)n1C ZINC000516194389 324116768 /nfs/dbraw/zinc/11/67/68/324116768.db2.gz GBYMJOXCZVBUMW-RKDXNWHRSA-N 2 2 211.309 0.978 20 0 BCADLP CC[C@H](C)[C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000572519554 324178796 /nfs/dbraw/zinc/17/87/96/324178796.db2.gz MKAFZVYZCVIYCI-SRVKXCTJSA-N 2 2 241.379 0.770 20 0 BCADLP CC[C@H](C)[C@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000572519554 324178800 /nfs/dbraw/zinc/17/88/00/324178800.db2.gz MKAFZVYZCVIYCI-SRVKXCTJSA-N 2 2 241.379 0.770 20 0 BCADLP Cc1cc(NC(=O)N[C@@H](C)[C@H](C)[NH3+])c(C)c[nH+]1 ZINC000667301897 487968934 /nfs/dbraw/zinc/96/89/34/487968934.db2.gz GGSMVHZUDBOQIV-UWVGGRQHSA-N 2 2 236.319 0.978 20 0 BCADLP Cc1cc(NC(=O)NC[C@H](C)[NH3+])c(C)c[nH+]1 ZINC000667301890 487969054 /nfs/dbraw/zinc/96/90/54/487969054.db2.gz CJQXCZIJTLLNNA-QMMMGPOBSA-N 2 2 222.292 0.589 20 0 BCADLP Cc1cc(NC(=O)NC/C=C/C[NH3+])cc[nH+]1 ZINC000667299092 487968615 /nfs/dbraw/zinc/96/86/15/487968615.db2.gz XDPPTDNYQAPRGP-NSCUHMNNSA-N 2 2 220.276 0.448 20 0 BCADLP Cc1cc(NC(=O)NC[C@@H](C)[NH3+])c(C)c[nH+]1 ZINC000667301889 487969382 /nfs/dbraw/zinc/96/93/82/487969382.db2.gz CJQXCZIJTLLNNA-MRVPVSSYSA-N 2 2 222.292 0.589 20 0 BCADLP Cn1nccc1C[NH2+]C1CC([NH+](C)C)C1 ZINC000565217001 325877545 /nfs/dbraw/zinc/87/75/45/325877545.db2.gz GLCFBGDTXFDISX-UHFFFAOYSA-N 2 2 208.309 0.602 20 0 BCADLP [NH3+]CCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000566169303 326006085 /nfs/dbraw/zinc/00/60/85/326006085.db2.gz BWBJNHHIVRDROV-VIFPVBQESA-N 2 2 222.292 0.812 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@H]2C[C@@H](O)C2)C1 ZINC000566414248 326042175 /nfs/dbraw/zinc/04/21/75/326042175.db2.gz MWHCYWVOFJSACW-SDDRHHMPSA-N 2 2 235.331 0.980 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@H]2C[C@@H](O)C2)C1 ZINC000566414248 326042176 /nfs/dbraw/zinc/04/21/76/326042176.db2.gz MWHCYWVOFJSACW-SDDRHHMPSA-N 2 2 235.331 0.980 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCOC[C@H]1CCCO1 ZINC000566788386 326082814 /nfs/dbraw/zinc/08/28/14/326082814.db2.gz ZIPBWPAJJKLNHN-TUAOUCFPSA-N 2 2 228.336 0.604 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCOC[C@H]1CCCO1 ZINC000566788386 326082816 /nfs/dbraw/zinc/08/28/16/326082816.db2.gz ZIPBWPAJJKLNHN-TUAOUCFPSA-N 2 2 228.336 0.604 20 0 BCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH+](C)C ZINC000568201797 326325437 /nfs/dbraw/zinc/32/54/37/326325437.db2.gz ZRLYBAJZRGJYIU-SNVBAGLBSA-N 2 2 238.335 0.608 20 0 BCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH+](C)C ZINC000568201797 326325438 /nfs/dbraw/zinc/32/54/38/326325438.db2.gz ZRLYBAJZRGJYIU-SNVBAGLBSA-N 2 2 238.335 0.608 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]1C(C)C ZINC000568247394 326333828 /nfs/dbraw/zinc/33/38/28/326333828.db2.gz LFZAKRYMXPCFKF-QWHCGFSZSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]1C(C)C ZINC000568247394 326333829 /nfs/dbraw/zinc/33/38/29/326333829.db2.gz LFZAKRYMXPCFKF-QWHCGFSZSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]1C(C)C ZINC000568247394 326333830 /nfs/dbraw/zinc/33/38/30/326333830.db2.gz LFZAKRYMXPCFKF-QWHCGFSZSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]1C(C)C ZINC000568247394 326333831 /nfs/dbraw/zinc/33/38/31/326333831.db2.gz LFZAKRYMXPCFKF-QWHCGFSZSA-N 2 2 244.379 0.656 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H](C)C(=O)NCCF)n1C ZINC000568533115 326364497 /nfs/dbraw/zinc/36/44/97/326364497.db2.gz ICGGHZJKYAPDQC-MRVPVSSYSA-N 2 2 242.298 0.292 20 0 BCADLP [NH3+]CC[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000568630844 326369325 /nfs/dbraw/zinc/36/93/25/326369325.db2.gz SHTYPKADSRMPPV-JTQLQIEISA-N 2 2 235.335 0.751 20 0 BCADLP [NH3+]CC[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000568630844 326369326 /nfs/dbraw/zinc/36/93/26/326369326.db2.gz SHTYPKADSRMPPV-JTQLQIEISA-N 2 2 235.335 0.751 20 0 BCADLP C[C@H](CC[NH3+])NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000568653797 326371431 /nfs/dbraw/zinc/37/14/31/326371431.db2.gz HVMVIAMHEIYTBO-MRVPVSSYSA-N 2 2 225.296 0.288 20 0 BCADLP C[C@H](CC[NH3+])NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000568653797 326371432 /nfs/dbraw/zinc/37/14/32/326371432.db2.gz HVMVIAMHEIYTBO-MRVPVSSYSA-N 2 2 225.296 0.288 20 0 BCADLP CC(C)N(C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000568766487 326376532 /nfs/dbraw/zinc/37/65/32/326376532.db2.gz AKPVECRENKIBHP-JTQLQIEISA-N 2 2 228.340 0.021 20 0 BCADLP CC(C)N(C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000568766487 326376533 /nfs/dbraw/zinc/37/65/33/326376533.db2.gz AKPVECRENKIBHP-JTQLQIEISA-N 2 2 228.340 0.021 20 0 BCADLP CSC[C@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000568857873 326379567 /nfs/dbraw/zinc/37/95/67/326379567.db2.gz SSEHUTCIHRERGW-SECBINFHSA-N 2 2 215.322 0.197 20 0 BCADLP CC[C@@H]([NH3+])C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000568877425 326380772 /nfs/dbraw/zinc/38/07/72/326380772.db2.gz FHXPIVATOLJGKE-LLVKDONJSA-N 2 2 246.314 0.996 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000569003673 326386380 /nfs/dbraw/zinc/38/63/80/326386380.db2.gz SRGBFGUWOLTOMN-LLVKDONJSA-N 3 2 241.379 0.411 20 0 BCADLP CC(C)([NH3+])C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000569003673 326386381 /nfs/dbraw/zinc/38/63/81/326386381.db2.gz SRGBFGUWOLTOMN-LLVKDONJSA-N 3 2 241.379 0.411 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCCN(CC(F)F)CC1 ZINC000569122074 326391835 /nfs/dbraw/zinc/39/18/35/326391835.db2.gz VGTMCYOUWXYKMV-UHFFFAOYSA-N 2 2 235.322 0.869 20 0 BCADLP C[NH2+]CCC[N@H+]1CCCN(CC(F)F)CC1 ZINC000569122074 326391836 /nfs/dbraw/zinc/39/18/36/326391836.db2.gz VGTMCYOUWXYKMV-UHFFFAOYSA-N 2 2 235.322 0.869 20 0 BCADLP CC(C)[C@H](NC(=O)[C@H]1CC[NH2+]C1)c1[nH]cc[nH+]1 ZINC000569219013 326395789 /nfs/dbraw/zinc/39/57/89/326395789.db2.gz JOVVYJRYFYZOKV-UWVGGRQHSA-N 2 2 236.319 0.833 20 0 BCADLP C[C@H](C(=O)NCCc1[nH]cc[nH+]1)[NH+]1CC(C)C1 ZINC000569234948 326395982 /nfs/dbraw/zinc/39/59/82/326395982.db2.gz CXGKWIVVVMCVBQ-SNVBAGLBSA-N 2 2 236.319 0.409 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@@H](CO)C2CC2)n1C ZINC000569260772 326398495 /nfs/dbraw/zinc/39/84/95/326398495.db2.gz VPDLQXPSDYLSAN-NSHDSACASA-N 2 2 223.320 0.837 20 0 BCADLP Cn1c[nH+]cc1CC(=O)N1CC[NH+](C2CC2)CC1 ZINC000573061887 326427847 /nfs/dbraw/zinc/42/78/47/326427847.db2.gz IOLJXTSUIKTRNG-UHFFFAOYSA-N 2 2 248.330 0.269 20 0 BCADLP C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000147209586 487977850 /nfs/dbraw/zinc/97/78/50/487977850.db2.gz DPQLNXZJVZMSLR-UHFFFAOYSA-N 3 2 234.347 0.813 20 0 BCADLP Cn1ccc(C[NH+]2CCC(C)([NH3+])CC2)n1 ZINC000309638917 488004472 /nfs/dbraw/zinc/00/44/72/488004472.db2.gz UENBTJCRMVRXNV-UHFFFAOYSA-N 2 2 208.309 0.733 20 0 BCADLP Cc1[nH+]cc(CN2CCC[N@H+](C)CC2)n1C ZINC000667462651 488014374 /nfs/dbraw/zinc/01/43/74/488014374.db2.gz PRXSKBOJUKXNFW-UHFFFAOYSA-N 2 2 222.336 0.866 20 0 BCADLP Cc1[nH+]cc(CN2CCC[N@@H+](C)CC2)n1C ZINC000667462651 488014380 /nfs/dbraw/zinc/01/43/80/488014380.db2.gz PRXSKBOJUKXNFW-UHFFFAOYSA-N 2 2 222.336 0.866 20 0 BCADLP NC(=O)[C@@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667462934 488014919 /nfs/dbraw/zinc/01/49/19/488014919.db2.gz ZPNRPKHKVKKEKW-SNVBAGLBSA-N 2 2 248.330 0.527 20 0 BCADLP NC(=O)[C@@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667462934 488014921 /nfs/dbraw/zinc/01/49/21/488014921.db2.gz ZPNRPKHKVKKEKW-SNVBAGLBSA-N 2 2 248.330 0.527 20 0 BCADLP CC[C@@H]1C[N@H+](CCCS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000147421612 488015235 /nfs/dbraw/zinc/01/52/35/488015235.db2.gz ZIYKDLZWSUHVQQ-MNOVXSKESA-N 2 2 248.392 0.480 20 0 BCADLP CC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000147421612 488015237 /nfs/dbraw/zinc/01/52/37/488015237.db2.gz ZIYKDLZWSUHVQQ-MNOVXSKESA-N 2 2 248.392 0.480 20 0 BCADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccnn1C ZINC000049553966 488018334 /nfs/dbraw/zinc/01/83/34/488018334.db2.gz RBMXCXCILUSPKU-JTQLQIEISA-N 2 2 210.325 0.850 20 0 BCADLP Cc1[nH+]cc(C[NH+]2CCC(O)CC2)n1C ZINC000667479355 488022737 /nfs/dbraw/zinc/02/27/37/488022737.db2.gz BSWXGUQGDGMGPD-UHFFFAOYSA-N 2 2 209.293 0.685 20 0 BCADLP CC[C@@H]1C[N@H+](CC(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000147436626 488023493 /nfs/dbraw/zinc/02/34/93/488023493.db2.gz XSWUYOAFIQPLHK-KOLCDFICSA-N 2 2 225.336 0.324 20 0 BCADLP CC[C@@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000147436626 488023497 /nfs/dbraw/zinc/02/34/97/488023497.db2.gz XSWUYOAFIQPLHK-KOLCDFICSA-N 2 2 225.336 0.324 20 0 BCADLP OCC[N@H+](Cc1c[nH+]c2n1CCC2)C1CC1 ZINC000667503222 488031905 /nfs/dbraw/zinc/03/19/05/488031905.db2.gz DQASDYTUETZOPU-UHFFFAOYSA-N 2 2 221.304 0.786 20 0 BCADLP OCC[N@@H+](Cc1c[nH+]c2n1CCC2)C1CC1 ZINC000667503222 488031907 /nfs/dbraw/zinc/03/19/07/488031907.db2.gz DQASDYTUETZOPU-UHFFFAOYSA-N 2 2 221.304 0.786 20 0 BCADLP Cc1cc(NC(=O)C2([NH+](C)C)CC2)cc[nH+]1 ZINC000668635293 488033627 /nfs/dbraw/zinc/03/36/27/488033627.db2.gz JEMJGEKBOUZYNR-UHFFFAOYSA-N 2 2 219.288 0.845 20 0 BCADLP Cc1[nH+]cc(C[N@H+](CCO)C2CC2)n1C ZINC000667503674 488033946 /nfs/dbraw/zinc/03/39/46/488033946.db2.gz TVSJISDCZOUUFS-UHFFFAOYSA-N 2 2 209.293 0.685 20 0 BCADLP Cc1[nH+]cc(C[N@@H+](CCO)C2CC2)n1C ZINC000667503674 488033949 /nfs/dbraw/zinc/03/39/49/488033949.db2.gz TVSJISDCZOUUFS-UHFFFAOYSA-N 2 2 209.293 0.685 20 0 BCADLP O[C@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667510216 488035265 /nfs/dbraw/zinc/03/52/65/488035265.db2.gz BQECNEBGFKKXEO-ZDUSSCGKSA-N 2 2 244.298 0.834 20 0 BCADLP O[C@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667510216 488035269 /nfs/dbraw/zinc/03/52/69/488035269.db2.gz BQECNEBGFKKXEO-ZDUSSCGKSA-N 2 2 244.298 0.834 20 0 BCADLP C[C@@H]([NH3+])CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000667532042 488039647 /nfs/dbraw/zinc/03/96/47/488039647.db2.gz DSIHHTWVMPCTFT-MRVPVSSYSA-N 2 2 233.275 0.803 20 0 BCADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@]12C[C@H]1C[NH2+]C2 ZINC000663492564 488042664 /nfs/dbraw/zinc/04/26/64/488042664.db2.gz ABSHWOMDTQWGIL-RWMBFGLXSA-N 3 2 223.364 0.799 20 0 BCADLP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@]12C[C@H]1C[NH2+]C2 ZINC000663492564 488042666 /nfs/dbraw/zinc/04/26/66/488042666.db2.gz ABSHWOMDTQWGIL-RWMBFGLXSA-N 3 2 223.364 0.799 20 0 BCADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663492553 488042416 /nfs/dbraw/zinc/04/24/16/488042416.db2.gz ABSHWOMDTQWGIL-AGIUHOORSA-N 3 2 223.364 0.799 20 0 BCADLP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663492553 488042421 /nfs/dbraw/zinc/04/24/21/488042421.db2.gz ABSHWOMDTQWGIL-AGIUHOORSA-N 3 2 223.364 0.799 20 0 BCADLP OC[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667569745 488050429 /nfs/dbraw/zinc/05/04/29/488050429.db2.gz RODMRNSINSQNHY-SNVBAGLBSA-N 2 2 221.304 0.644 20 0 BCADLP OC[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667569745 488050432 /nfs/dbraw/zinc/05/04/32/488050432.db2.gz RODMRNSINSQNHY-SNVBAGLBSA-N 2 2 221.304 0.644 20 0 BCADLP CC(C)[C@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000166231445 488063625 /nfs/dbraw/zinc/06/36/25/488063625.db2.gz RGDVHDRTEMWEQT-RYUDHWBXSA-N 2 2 212.337 0.953 20 0 BCADLP CC(C)[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000166231445 488063629 /nfs/dbraw/zinc/06/36/29/488063629.db2.gz RGDVHDRTEMWEQT-RYUDHWBXSA-N 2 2 212.337 0.953 20 0 BCADLP c1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)n[nH]1 ZINC000257648459 488076393 /nfs/dbraw/zinc/07/63/93/488076393.db2.gz CROMAZPQZIFGTB-GFCCVEGCSA-N 2 2 220.320 0.985 20 0 BCADLP c1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)n[nH]1 ZINC000257648459 488076398 /nfs/dbraw/zinc/07/63/98/488076398.db2.gz CROMAZPQZIFGTB-GFCCVEGCSA-N 2 2 220.320 0.985 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](CCC[NH3+])COC)C1 ZINC000389307180 488087755 /nfs/dbraw/zinc/08/77/55/488087755.db2.gz FNHZRBSBOPGYRN-OLZOCXBDSA-N 3 2 243.395 0.814 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](CCC[NH3+])COC)C1 ZINC000389307180 488087760 /nfs/dbraw/zinc/08/77/60/488087760.db2.gz FNHZRBSBOPGYRN-OLZOCXBDSA-N 3 2 243.395 0.814 20 0 BCADLP CNC(=O)[C@H](C)C[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000667692888 488088962 /nfs/dbraw/zinc/08/89/62/488088962.db2.gz TUGUCAGHUIIEPW-SECBINFHSA-N 2 2 238.335 0.542 20 0 BCADLP CNC(=O)[C@H](C)C[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000667692888 488088958 /nfs/dbraw/zinc/08/89/58/488088958.db2.gz TUGUCAGHUIIEPW-SECBINFHSA-N 2 2 238.335 0.542 20 0 BCADLP CC(C)[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000257798120 488089398 /nfs/dbraw/zinc/08/93/98/488089398.db2.gz VZNFZSREEYSHFB-WDEREUQCSA-N 2 2 225.336 0.052 20 0 BCADLP CC(C)[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000257798120 488089403 /nfs/dbraw/zinc/08/94/03/488089403.db2.gz VZNFZSREEYSHFB-WDEREUQCSA-N 2 2 225.336 0.052 20 0 BCADLP CC[N@H+](C[C@@H]1C[NH2+]CCO1)[C@H]1CCCOC1 ZINC000402584701 488094780 /nfs/dbraw/zinc/09/47/80/488094780.db2.gz HDIAHSLFMQMDKU-RYUDHWBXSA-N 2 2 228.336 0.476 20 0 BCADLP CC[N@@H+](C[C@@H]1C[NH2+]CCO1)[C@H]1CCCOC1 ZINC000402584701 488094785 /nfs/dbraw/zinc/09/47/85/488094785.db2.gz HDIAHSLFMQMDKU-RYUDHWBXSA-N 2 2 228.336 0.476 20 0 BCADLP Cc1ncc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)n1C ZINC000667712353 488097621 /nfs/dbraw/zinc/09/76/21/488097621.db2.gz DBGSRTUPBBUJOB-QWRGUYRKSA-N 2 2 220.320 0.380 20 0 BCADLP CC[C@H](C)CN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653089057 487539082 /nfs/dbraw/zinc/53/90/82/487539082.db2.gz WMFMGJUKKSSMRC-WDEREUQCSA-N 2 2 229.368 0.770 20 0 BCADLP Cc1ccc(C[N@H+](CC[NH3+])C[C@@H](O)CO)cc1 ZINC000662288098 487539732 /nfs/dbraw/zinc/53/97/32/487539732.db2.gz CUFFCYNYLZWUSX-CYBMUJFWSA-N 2 2 238.331 0.109 20 0 BCADLP Cc1ccc(C[N@@H+](CC[NH3+])C[C@@H](O)CO)cc1 ZINC000662288098 487539739 /nfs/dbraw/zinc/53/97/39/487539739.db2.gz CUFFCYNYLZWUSX-CYBMUJFWSA-N 2 2 238.331 0.109 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)[C@H](C)CO1 ZINC000403749682 488134735 /nfs/dbraw/zinc/13/47/35/488134735.db2.gz BMBUDWNYFLBPTE-IJLUTSLNSA-N 2 2 228.336 0.474 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)[C@H](C)CO1 ZINC000403749682 488134737 /nfs/dbraw/zinc/13/47/37/488134737.db2.gz BMBUDWNYFLBPTE-IJLUTSLNSA-N 2 2 228.336 0.474 20 0 BCADLP CCC[N@@H+]1CC[C@@H](NCc2[nH]cc[nH+]2)C1 ZINC000393957290 487486640 /nfs/dbraw/zinc/48/66/40/487486640.db2.gz YAUQNOXWLCCLSQ-SNVBAGLBSA-N 2 2 208.309 0.984 20 0 BCADLP CCC[N@H+]1CC[C@@H](NCc2[nH]cc[nH+]2)C1 ZINC000393957290 487486641 /nfs/dbraw/zinc/48/66/41/487486641.db2.gz YAUQNOXWLCCLSQ-SNVBAGLBSA-N 2 2 208.309 0.984 20 0 BCADLP C[C@H](O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000685000533 487487940 /nfs/dbraw/zinc/48/79/40/487487940.db2.gz RILRDZBKYUREBB-QWRGUYRKSA-N 2 2 209.293 0.901 20 0 BCADLP C[C@H](O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000685000533 487487943 /nfs/dbraw/zinc/48/79/43/487487943.db2.gz RILRDZBKYUREBB-QWRGUYRKSA-N 2 2 209.293 0.901 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1[C@H]2CC[C@@H]1CCC2 ZINC000380825706 487488184 /nfs/dbraw/zinc/48/81/84/487488184.db2.gz ZMHGDJSMBUUWGR-TUAOUCFPSA-N 2 2 210.321 0.992 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1[C@H]2CC[C@@H]1CCC2 ZINC000380825706 487488188 /nfs/dbraw/zinc/48/81/88/487488188.db2.gz ZMHGDJSMBUUWGR-TUAOUCFPSA-N 2 2 210.321 0.992 20 0 BCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000086272187 487496241 /nfs/dbraw/zinc/49/62/41/487496241.db2.gz NNKQJGZVTQGIGK-BDAKNGLRSA-N 2 2 222.292 0.366 20 0 BCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000086272331 487496268 /nfs/dbraw/zinc/49/62/68/487496268.db2.gz DLHPYJQYVWUCQH-APPZFPTMSA-N 2 2 208.265 0.024 20 0 BCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000086272331 487496269 /nfs/dbraw/zinc/49/62/69/487496269.db2.gz DLHPYJQYVWUCQH-APPZFPTMSA-N 2 2 208.265 0.024 20 0 BCADLP C[NH+](C)C[C@@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000685262098 487505395 /nfs/dbraw/zinc/50/53/95/487505395.db2.gz HLADQORFKVDDRM-JTQLQIEISA-N 2 2 236.319 0.688 20 0 BCADLP C[NH+](C)C[C@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000685262099 487505617 /nfs/dbraw/zinc/50/56/17/487505617.db2.gz HLADQORFKVDDRM-SNVBAGLBSA-N 2 2 236.319 0.688 20 0 BCADLP CNC(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000094074620 487511600 /nfs/dbraw/zinc/51/16/00/487511600.db2.gz KCARDXZNPQZOJX-GFCCVEGCSA-N 2 2 233.315 0.498 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CC1([NH3+])CCC1 ZINC000094293644 487525546 /nfs/dbraw/zinc/52/55/46/487525546.db2.gz MZXMDMXVQRNTJC-JTQLQIEISA-N 2 2 236.319 0.659 20 0 BCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCCC[NH2+]1 ZINC000044491912 487820200 /nfs/dbraw/zinc/82/02/00/487820200.db2.gz LVNWZLZJPVHENM-NSHDSACASA-N 2 2 236.319 0.532 20 0 BCADLP Cc1ccc2[nH+]c(Cn3cc(C[NH3+])nn3)cn2c1 ZINC000050224910 487896687 /nfs/dbraw/zinc/89/66/87/487896687.db2.gz AYORTFKMTJNMJL-UHFFFAOYSA-N 2 2 242.286 0.741 20 0 BCADLP CC(C)[C@H]1CN(CC[NH+]2CCOCC2)CC[NH2+]1 ZINC000083369821 487907930 /nfs/dbraw/zinc/90/79/30/487907930.db2.gz KNSPEBKVRLHJOK-CYBMUJFWSA-N 2 2 241.379 0.248 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCOCC2(CC2)C1 ZINC000653612441 487981904 /nfs/dbraw/zinc/98/19/04/487981904.db2.gz QBVOBXXSXCDNMI-LBPRGKRZSA-N 2 2 242.363 0.411 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCOCC2(CC2)C1 ZINC000653612441 487981911 /nfs/dbraw/zinc/98/19/11/487981911.db2.gz QBVOBXXSXCDNMI-LBPRGKRZSA-N 2 2 242.363 0.411 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCOCC2(CC2)C1 ZINC000653612441 487981918 /nfs/dbraw/zinc/98/19/18/487981918.db2.gz QBVOBXXSXCDNMI-LBPRGKRZSA-N 2 2 242.363 0.411 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCOCC2(CC2)C1 ZINC000653612441 487981922 /nfs/dbraw/zinc/98/19/22/487981922.db2.gz QBVOBXXSXCDNMI-LBPRGKRZSA-N 2 2 242.363 0.411 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)n1C ZINC000668600221 487991807 /nfs/dbraw/zinc/99/18/07/487991807.db2.gz IDKZLFYIQLAEPQ-CMPLNLGQSA-N 2 2 221.304 0.685 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)n1C ZINC000668600221 487991813 /nfs/dbraw/zinc/99/18/13/487991813.db2.gz IDKZLFYIQLAEPQ-CMPLNLGQSA-N 2 2 221.304 0.685 20 0 BCADLP C[C@]1(NC(=O)CCn2cc[nH+]c2)CC[NH2+]C1 ZINC000230730569 488142872 /nfs/dbraw/zinc/14/28/72/488142872.db2.gz GVYXFSHZMBWUJR-NSHDSACASA-N 2 2 222.292 0.141 20 0 BCADLP C[N@H+](C[C@H]1CC[NH2+]C1)C[C@H]1CCC[NH+](C)C1 ZINC000259031285 488147867 /nfs/dbraw/zinc/14/78/67/488147867.db2.gz ZQWAMEQOZKOCPA-STQMWFEESA-N 3 2 225.380 0.870 20 0 BCADLP C[N@@H+](C[C@H]1CC[NH2+]C1)C[C@H]1CCC[NH+](C)C1 ZINC000259031285 488147873 /nfs/dbraw/zinc/14/78/73/488147873.db2.gz ZQWAMEQOZKOCPA-STQMWFEESA-N 3 2 225.380 0.870 20 0 BCADLP C[NH+](C[C@H]1CC[NH2+]C1)C[C@H]1CCC[N@H+](C)C1 ZINC000259031285 488147877 /nfs/dbraw/zinc/14/78/77/488147877.db2.gz ZQWAMEQOZKOCPA-STQMWFEESA-N 3 2 225.380 0.870 20 0 BCADLP C[NH+](C[C@H]1CC[NH2+]C1)C[C@H]1CCC[N@@H+](C)C1 ZINC000259031285 488147881 /nfs/dbraw/zinc/14/78/81/488147881.db2.gz ZQWAMEQOZKOCPA-STQMWFEESA-N 3 2 225.380 0.870 20 0 BCADLP C[NH2+][C@H]1CCC[N@H+](CCc2ccnn2C)C1 ZINC000230745653 488150433 /nfs/dbraw/zinc/15/04/33/488150433.db2.gz NBCVBFCIFNSAGL-NSHDSACASA-N 2 2 222.336 0.646 20 0 BCADLP C[NH2+][C@H]1CCC[N@@H+](CCc2ccnn2C)C1 ZINC000230745653 488150435 /nfs/dbraw/zinc/15/04/35/488150435.db2.gz NBCVBFCIFNSAGL-NSHDSACASA-N 2 2 222.336 0.646 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000657877438 488159679 /nfs/dbraw/zinc/15/96/79/488159679.db2.gz RJYBWYIPWBPLKF-DGCLKSJQSA-N 2 2 249.362 0.741 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000657877438 488159683 /nfs/dbraw/zinc/15/96/83/488159683.db2.gz RJYBWYIPWBPLKF-DGCLKSJQSA-N 2 2 249.362 0.741 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085359219 488163600 /nfs/dbraw/zinc/16/36/00/488163600.db2.gz ABCOTDBLGADXAK-AXFHLTTASA-N 2 2 236.319 0.515 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)COC(C)C)C1 ZINC000389144568 488164713 /nfs/dbraw/zinc/16/47/13/488164713.db2.gz HXYDVKNWZGGPTB-OLZOCXBDSA-N 2 2 244.379 0.846 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)COC(C)C)C1 ZINC000389144568 488164720 /nfs/dbraw/zinc/16/47/20/488164720.db2.gz HXYDVKNWZGGPTB-OLZOCXBDSA-N 2 2 244.379 0.846 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)COC(C)C)C1 ZINC000389144567 488164921 /nfs/dbraw/zinc/16/49/21/488164921.db2.gz HXYDVKNWZGGPTB-CHWSQXEVSA-N 2 2 244.379 0.846 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)COC(C)C)C1 ZINC000389144567 488164925 /nfs/dbraw/zinc/16/49/25/488164925.db2.gz HXYDVKNWZGGPTB-CHWSQXEVSA-N 2 2 244.379 0.846 20 0 BCADLP c1cn(CC[N@@H+]2CCc3c[nH]nc3C2)c[nH+]1 ZINC000677988942 488168731 /nfs/dbraw/zinc/16/87/31/488168731.db2.gz OMBXASKITHNWSU-UHFFFAOYSA-N 2 2 217.276 0.665 20 0 BCADLP c1cn(CC[N@H+]2CCc3c[nH]nc3C2)c[nH+]1 ZINC000677988942 488168736 /nfs/dbraw/zinc/16/87/36/488168736.db2.gz OMBXASKITHNWSU-UHFFFAOYSA-N 2 2 217.276 0.665 20 0 BCADLP COCCC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000169169784 488171866 /nfs/dbraw/zinc/17/18/66/488171866.db2.gz CMAVLXBZGGIXDH-VHSXEESVSA-N 2 2 202.298 0.071 20 0 BCADLP COCCC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000169169784 488171871 /nfs/dbraw/zinc/17/18/71/488171871.db2.gz CMAVLXBZGGIXDH-VHSXEESVSA-N 2 2 202.298 0.071 20 0 BCADLP CC(C)O[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000404627942 488172356 /nfs/dbraw/zinc/17/23/56/488172356.db2.gz FBXIQYLHFWPFGI-CHWSQXEVSA-N 2 2 242.363 0.864 20 0 BCADLP CC(C)O[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000404627942 488172359 /nfs/dbraw/zinc/17/23/59/488172359.db2.gz FBXIQYLHFWPFGI-CHWSQXEVSA-N 2 2 242.363 0.864 20 0 BCADLP Cn1c[nH+]c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000380108103 488173732 /nfs/dbraw/zinc/17/37/32/488173732.db2.gz RGFPSNAWOQOFIB-UWVGGRQHSA-N 2 2 206.293 0.071 20 0 BCADLP Cn1cnc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000380108103 488173735 /nfs/dbraw/zinc/17/37/35/488173735.db2.gz RGFPSNAWOQOFIB-UWVGGRQHSA-N 2 2 206.293 0.071 20 0 BCADLP C[C@H](CO)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000678044294 488179028 /nfs/dbraw/zinc/17/90/28/488179028.db2.gz OJXVBVFQBFWOGZ-STQMWFEESA-N 2 2 242.363 0.269 20 0 BCADLP C[C@H](CO)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000678044294 488179029 /nfs/dbraw/zinc/17/90/29/488179029.db2.gz OJXVBVFQBFWOGZ-STQMWFEESA-N 2 2 242.363 0.269 20 0 BCADLP OCC[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000051916609 488180633 /nfs/dbraw/zinc/18/06/33/488180633.db2.gz OMPJEWLWCNJCSI-GFCCVEGCSA-N 2 2 223.320 0.978 20 0 BCADLP OCC[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000051916609 488180639 /nfs/dbraw/zinc/18/06/39/488180639.db2.gz OMPJEWLWCNJCSI-GFCCVEGCSA-N 2 2 223.320 0.978 20 0 BCADLP CC(C)[NH2+]CC(=O)NCCCn1cc[nH+]c1 ZINC000037477105 488186459 /nfs/dbraw/zinc/18/64/59/488186459.db2.gz JTZFWVCJDDAAJB-UHFFFAOYSA-N 2 2 224.308 0.387 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](O)C(C)(C)C2)n1C ZINC000668089131 488200298 /nfs/dbraw/zinc/20/02/98/488200298.db2.gz OODOJXXYWXMCPD-NSHDSACASA-N 2 2 223.320 0.931 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2C[C@H](O)C(C)(C)C2)n1C ZINC000668089131 488200302 /nfs/dbraw/zinc/20/03/02/488200302.db2.gz OODOJXXYWXMCPD-NSHDSACASA-N 2 2 223.320 0.931 20 0 BCADLP COCCOCC[N@H+](C)CC(C)(C)[NH3+] ZINC000308477854 488204337 /nfs/dbraw/zinc/20/43/37/488204337.db2.gz LIBXOJDDEUESPF-UHFFFAOYSA-N 2 2 204.314 0.319 20 0 BCADLP COCCOCC[N@@H+](C)CC(C)(C)[NH3+] ZINC000308477854 488204339 /nfs/dbraw/zinc/20/43/39/488204339.db2.gz LIBXOJDDEUESPF-UHFFFAOYSA-N 2 2 204.314 0.319 20 0 BCADLP C[C@@H](C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C)[NH+](C)C ZINC000678216822 488219120 /nfs/dbraw/zinc/21/91/20/488219120.db2.gz ICHKKQPBEYPIFO-VWYCJHECSA-N 2 2 227.352 0.488 20 0 BCADLP C[C@@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C)[NH+](C)C ZINC000678216822 488219124 /nfs/dbraw/zinc/21/91/24/488219124.db2.gz ICHKKQPBEYPIFO-VWYCJHECSA-N 2 2 227.352 0.488 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2C(N)=O)n1C ZINC000668220348 488229951 /nfs/dbraw/zinc/22/99/51/488229951.db2.gz MYYBHEIWCLOTPG-SNVBAGLBSA-N 2 2 222.292 0.178 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2C(N)=O)n1C ZINC000668220348 488229953 /nfs/dbraw/zinc/22/99/53/488229953.db2.gz MYYBHEIWCLOTPG-SNVBAGLBSA-N 2 2 222.292 0.178 20 0 BCADLP Cc1nc(N2CCC([NH2+]CCO)CC2)cc[nH+]1 ZINC000678406700 488251802 /nfs/dbraw/zinc/25/18/02/488251802.db2.gz BPHXHUGZSJJLBO-UHFFFAOYSA-N 2 2 236.319 0.336 20 0 BCADLP Cn1cnc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000673607025 488297772 /nfs/dbraw/zinc/29/77/72/488297772.db2.gz JXJZBXXLSJGKGC-JTQLQIEISA-N 2 2 231.303 0.721 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCn1cncn1 ZINC000679036534 488304392 /nfs/dbraw/zinc/30/43/92/488304392.db2.gz MQAOTURPNROVKC-DGCLKSJQSA-N 2 2 249.362 0.741 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCn1cncn1 ZINC000679036534 488304394 /nfs/dbraw/zinc/30/43/94/488304394.db2.gz MQAOTURPNROVKC-DGCLKSJQSA-N 2 2 249.362 0.741 20 0 BCADLP C[C@@H](CCCCO)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000679341089 488341779 /nfs/dbraw/zinc/34/17/79/488341779.db2.gz RECYKJLIGWXVEG-STQMWFEESA-N 2 2 243.395 0.373 20 0 BCADLP C[C@@H](CCCCO)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000679341089 488341781 /nfs/dbraw/zinc/34/17/81/488341781.db2.gz RECYKJLIGWXVEG-STQMWFEESA-N 2 2 243.395 0.373 20 0 BCADLP CC(C)=CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000679376726 488348671 /nfs/dbraw/zinc/34/86/71/488348671.db2.gz DCWLRBJUOZFATB-UHFFFAOYSA-N 2 2 239.363 0.658 20 0 BCADLP CC(C)=CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000679376726 488348672 /nfs/dbraw/zinc/34/86/72/488348672.db2.gz DCWLRBJUOZFATB-UHFFFAOYSA-N 2 2 239.363 0.658 20 0 BCADLP Cc1nc(NC[C@H]2CSCC[NH2+]2)cc[nH+]1 ZINC000641686980 490102704 /nfs/dbraw/zinc/10/27/04/490102704.db2.gz GJIZVUDUJQWPNH-VIFPVBQESA-N 2 2 224.333 0.902 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)CCS1 ZINC000123411681 490233850 /nfs/dbraw/zinc/23/38/50/490233850.db2.gz FKFBGMRJAYWSAV-ZJUUUORDSA-N 2 2 216.350 0.412 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)CCS1 ZINC000123411681 490233855 /nfs/dbraw/zinc/23/38/55/490233855.db2.gz FKFBGMRJAYWSAV-ZJUUUORDSA-N 2 2 216.350 0.412 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC[C@H]1CCCO1 ZINC000252952579 490268848 /nfs/dbraw/zinc/26/88/48/490268848.db2.gz FVLLKFXNBLTNAZ-JHJVBQTASA-N 2 2 242.363 0.912 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000084081160 490365067 /nfs/dbraw/zinc/36/50/67/490365067.db2.gz ICILYRRUSXXOLF-DTWKUNHWSA-N 2 2 208.265 0.153 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000084081160 490365069 /nfs/dbraw/zinc/36/50/69/490365069.db2.gz ICILYRRUSXXOLF-DTWKUNHWSA-N 2 2 208.265 0.153 20 0 BCADLP CCNC(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221780842 490413403 /nfs/dbraw/zinc/41/34/03/490413403.db2.gz FVNILHOZGYAYNX-VHSXEESVSA-N 2 2 213.325 0.195 20 0 BCADLP CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221780842 490413410 /nfs/dbraw/zinc/41/34/10/490413410.db2.gz FVNILHOZGYAYNX-VHSXEESVSA-N 2 2 213.325 0.195 20 0 BCADLP Cc1nc(NCC[N@@H+]2CC[C@H](O)C2)cc[nH+]1 ZINC000624775576 491108644 /nfs/dbraw/zinc/10/86/44/491108644.db2.gz ZSKRSBVLAYFWOU-JTQLQIEISA-N 2 2 222.292 0.264 20 0 BCADLP Cc1nc(NCC[N@H+]2CC[C@H](O)C2)cc[nH+]1 ZINC000624775576 491108646 /nfs/dbraw/zinc/10/86/46/491108646.db2.gz ZSKRSBVLAYFWOU-JTQLQIEISA-N 2 2 222.292 0.264 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)CO ZINC000308686552 491137802 /nfs/dbraw/zinc/13/78/02/491137802.db2.gz ZSUMOJDQSNVIRH-NXEZZACHSA-N 2 2 200.326 0.545 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)CO ZINC000308686552 491137803 /nfs/dbraw/zinc/13/78/03/491137803.db2.gz ZSUMOJDQSNVIRH-NXEZZACHSA-N 2 2 200.326 0.545 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)O)C[N@@H+]1C1CC1 ZINC000133449292 491154533 /nfs/dbraw/zinc/15/45/33/491154533.db2.gz MSZUQGNBGXSHNQ-NXEZZACHSA-N 2 2 212.337 0.972 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)O)C[N@H+]1C1CC1 ZINC000133449292 491154534 /nfs/dbraw/zinc/15/45/34/491154534.db2.gz MSZUQGNBGXSHNQ-NXEZZACHSA-N 2 2 212.337 0.972 20 0 BCADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000488321018 533721038 /nfs/dbraw/zinc/72/10/38/533721038.db2.gz DQOKXTAXMUOJAF-UTUOFQBUSA-N 2 2 212.337 0.905 20 0 BCADLP C[C@@H]1C[C@@H]1C[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000488321018 533721048 /nfs/dbraw/zinc/72/10/48/533721048.db2.gz DQOKXTAXMUOJAF-UTUOFQBUSA-N 2 2 212.337 0.905 20 0 BCADLP C[C@@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)C[NH+](C)C ZINC000493535845 533873454 /nfs/dbraw/zinc/87/34/54/533873454.db2.gz YZZYAHVLBYQQLG-YEZKRMTDSA-N 2 2 236.319 0.737 20 0 BCADLP COC(=O)N1CC([NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000496220108 533934465 /nfs/dbraw/zinc/93/44/65/533934465.db2.gz VNJLNGVAUFOXMB-SCZZXKLOSA-N 2 2 227.308 0.025 20 0 BCADLP C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@@H](C)C[N@@H+]1C ZINC000493182635 534275522 /nfs/dbraw/zinc/27/55/22/534275522.db2.gz BPPCBRWXVXADCM-ZJRFNNFUSA-N 2 2 248.330 0.974 20 0 BCADLP C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@@H](C)C[N@H+]1C ZINC000493182635 534275526 /nfs/dbraw/zinc/27/55/26/534275526.db2.gz BPPCBRWXVXADCM-ZJRFNNFUSA-N 2 2 248.330 0.974 20 0 BCADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)N2CCC2)CC1 ZINC000336119263 536135721 /nfs/dbraw/zinc/13/57/21/536135721.db2.gz SHOHIONAYZKGQN-LBPRGKRZSA-N 2 2 239.363 0.635 20 0 BCADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)N2CCC2)CC1 ZINC000336119263 536135725 /nfs/dbraw/zinc/13/57/25/536135725.db2.gz SHOHIONAYZKGQN-LBPRGKRZSA-N 2 2 239.363 0.635 20 0 BCADLP CC(C)Cn1cc[nH+]c1CNC(=O)CCC[NH3+] ZINC000262679437 534911312 /nfs/dbraw/zinc/91/13/12/534911312.db2.gz VZWFJNDUQQIWFK-UHFFFAOYSA-N 2 2 238.335 0.894 20 0 BCADLP CC(C)Cn1cc[nH+]c1CNC(=O)C[C@H](C)[NH3+] ZINC000261896254 534911416 /nfs/dbraw/zinc/91/14/16/534911416.db2.gz UNWQMMBCQUSSCH-JTQLQIEISA-N 2 2 238.335 0.893 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261542904 536458270 /nfs/dbraw/zinc/45/82/70/536458270.db2.gz HFBJQLKERFUKNA-LBPRGKRZSA-N 3 2 211.353 0.670 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261542904 536458272 /nfs/dbraw/zinc/45/82/72/536458272.db2.gz HFBJQLKERFUKNA-LBPRGKRZSA-N 3 2 211.353 0.670 20 0 BCADLP CC(C)C(=O)NCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400477717 527509048 /nfs/dbraw/zinc/50/90/48/527509048.db2.gz VJFZGJIVYLPRFZ-GHMZBOCLSA-N 2 2 227.352 0.489 20 0 BCADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000495075407 528824170 /nfs/dbraw/zinc/82/41/70/528824170.db2.gz QTGYHEQFOKYQOW-LLVKDONJSA-N 2 2 241.379 0.973 20 0 BCADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000495075407 528824174 /nfs/dbraw/zinc/82/41/74/528824174.db2.gz QTGYHEQFOKYQOW-LLVKDONJSA-N 2 2 241.379 0.973 20 0 BCADLP CC[N@@H+]1CCCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493242868 529016158 /nfs/dbraw/zinc/01/61/58/529016158.db2.gz WATWNXDPXQTKGM-SNAWJCMRSA-N 2 2 248.330 0.977 20 0 BCADLP CC[N@H+]1CCCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493242868 529016165 /nfs/dbraw/zinc/01/61/65/529016165.db2.gz WATWNXDPXQTKGM-SNAWJCMRSA-N 2 2 248.330 0.977 20 0 BCADLP CCOC(=O)N[C@H]1CCC[N@H+](CCC[NH2+]C)C1 ZINC000496329460 529104402 /nfs/dbraw/zinc/10/44/02/529104402.db2.gz QZMUYLLZHIPAGY-NSHDSACASA-N 2 2 243.351 0.806 20 0 BCADLP CCOC(=O)N[C@H]1CCC[N@@H+](CCC[NH2+]C)C1 ZINC000496329460 529104405 /nfs/dbraw/zinc/10/44/05/529104405.db2.gz QZMUYLLZHIPAGY-NSHDSACASA-N 2 2 243.351 0.806 20 0 BCADLP CC[N@@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000492897669 529109803 /nfs/dbraw/zinc/10/98/03/529109803.db2.gz QSYJSCBCZRFIBC-DOGVGXBMSA-N 2 2 248.330 0.976 20 0 BCADLP CC[N@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000492897669 529109808 /nfs/dbraw/zinc/10/98/08/529109808.db2.gz QSYJSCBCZRFIBC-DOGVGXBMSA-N 2 2 248.330 0.976 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000261588259 535199135 /nfs/dbraw/zinc/19/91/35/535199135.db2.gz SHJCUBWSHWJPQP-JTQLQIEISA-N 2 2 216.325 0.197 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CCC[C@H](OCCO)C1 ZINC000261588259 535199141 /nfs/dbraw/zinc/19/91/41/535199141.db2.gz SHJCUBWSHWJPQP-JTQLQIEISA-N 2 2 216.325 0.197 20 0 BCADLP CCOCCC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000166088748 535552007 /nfs/dbraw/zinc/55/20/07/535552007.db2.gz JPKUEXNTIBMUFU-NEPJUHHUSA-N 2 2 230.352 0.770 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262072801 535964703 /nfs/dbraw/zinc/96/47/03/535964703.db2.gz SEZNIXLYYVDQGF-OLZOCXBDSA-N 3 2 225.380 0.870 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262072801 535964709 /nfs/dbraw/zinc/96/47/09/535964709.db2.gz SEZNIXLYYVDQGF-OLZOCXBDSA-N 3 2 225.380 0.870 20 0 BCADLP CN(C(=O)C[NH3+])C1CCN(c2cccc[nH+]2)CC1 ZINC000373039220 535982672 /nfs/dbraw/zinc/98/26/72/535982672.db2.gz ACQDVZORNHWAAH-UHFFFAOYSA-N 2 2 248.330 0.468 20 0 BCADLP C[NH+]1CCC(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263057496 536342889 /nfs/dbraw/zinc/34/28/89/536342889.db2.gz VASRUSCJVPLSNO-SECBINFHSA-N 2 2 247.289 0.194 20 0 BCADLP C[N@@H+]1CCC[C@]2(CC[NH+]([C@@H]3CCNC3=O)C2)C1 ZINC000335931907 536395229 /nfs/dbraw/zinc/39/52/29/536395229.db2.gz YBDLZECEBCLTPI-YPMHNXCESA-N 2 2 237.347 0.293 20 0 BCADLP C[N@H+]1CCC[C@]2(CC[NH+]([C@@H]3CCNC3=O)C2)C1 ZINC000335931907 536395232 /nfs/dbraw/zinc/39/52/32/536395232.db2.gz YBDLZECEBCLTPI-YPMHNXCESA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+]1CCC[C@]2(CC[N@@H+]([C@@H]3CCNC3=O)C2)C1 ZINC000335931907 536395234 /nfs/dbraw/zinc/39/52/34/536395234.db2.gz YBDLZECEBCLTPI-YPMHNXCESA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+]1CCC[C@]2(CC[N@H+]([C@@H]3CCNC3=O)C2)C1 ZINC000335931907 536395236 /nfs/dbraw/zinc/39/52/36/536395236.db2.gz YBDLZECEBCLTPI-YPMHNXCESA-N 2 2 237.347 0.293 20 0 BCADLP CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000336043803 536423092 /nfs/dbraw/zinc/42/30/92/536423092.db2.gz BJHKZTUYXUVQHG-CYBMUJFWSA-N 2 2 247.342 0.969 20 0 BCADLP CNC(=O)c1ccc(C[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000336043803 536423093 /nfs/dbraw/zinc/42/30/93/536423093.db2.gz BJHKZTUYXUVQHG-CYBMUJFWSA-N 2 2 247.342 0.969 20 0 BCADLP CNC(=O)c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000335679215 536423852 /nfs/dbraw/zinc/42/38/52/536423852.db2.gz DYHDIMYTFSWVQX-LBPRGKRZSA-N 2 2 233.315 0.579 20 0 BCADLP CNC(=O)c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000335679215 536423853 /nfs/dbraw/zinc/42/38/53/536423853.db2.gz DYHDIMYTFSWVQX-LBPRGKRZSA-N 2 2 233.315 0.579 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCC(=O)OC ZINC000169277508 536458492 /nfs/dbraw/zinc/45/84/92/536458492.db2.gz AHHSECOPNLEYJM-JTQLQIEISA-N 2 2 214.309 0.623 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCCC(=O)OC ZINC000169277508 536458494 /nfs/dbraw/zinc/45/84/94/536458494.db2.gz AHHSECOPNLEYJM-JTQLQIEISA-N 2 2 214.309 0.623 20 0 BCADLP COCCO[C@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000261762716 536579486 /nfs/dbraw/zinc/57/94/86/536579486.db2.gz DDDAHDMBGCGZDN-NSHDSACASA-N 2 2 230.352 0.851 20 0 BCADLP COCCO[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261762716 536579488 /nfs/dbraw/zinc/57/94/88/536579488.db2.gz DDDAHDMBGCGZDN-NSHDSACASA-N 2 2 230.352 0.851 20 0 BCADLP COC[C@](C)(CCO)[NH2+]Cc1c[nH+]c[nH]1 ZINC000175852106 536629574 /nfs/dbraw/zinc/62/95/74/536629574.db2.gz UDMODKSLOWVLQK-JTQLQIEISA-N 2 2 213.281 0.287 20 0 BCADLP CC(=O)OC[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000892665805 582945293 /nfs/dbraw/zinc/94/52/93/582945293.db2.gz VINGMWGQFNUWBL-KOLCDFICSA-N 2 2 214.309 0.622 20 0 BCADLP CC(=O)OC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000892665805 582945294 /nfs/dbraw/zinc/94/52/94/582945294.db2.gz VINGMWGQFNUWBL-KOLCDFICSA-N 2 2 214.309 0.622 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]C1CSC1 ZINC000379380506 566444021 /nfs/dbraw/zinc/44/40/21/566444021.db2.gz DXBGSTSRKHMCBS-UHFFFAOYSA-N 2 2 204.339 0.006 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]C1CSC1 ZINC000379380506 566444026 /nfs/dbraw/zinc/44/40/26/566444026.db2.gz DXBGSTSRKHMCBS-UHFFFAOYSA-N 2 2 204.339 0.006 20 0 BCADLP O[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c[nH]2)C12CCC2 ZINC000852583354 583015091 /nfs/dbraw/zinc/01/50/91/583015091.db2.gz UWSOEXSBLZAGOE-ZJUUUORDSA-N 2 2 207.277 0.803 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](CCC2SCCS2)CCO1 ZINC000853023179 588716722 /nfs/dbraw/zinc/71/67/22/588716722.db2.gz PFEARMIMJFFWMT-SECBINFHSA-N 2 2 248.417 0.842 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](CCC2SCCS2)CCO1 ZINC000853023179 588716723 /nfs/dbraw/zinc/71/67/23/588716723.db2.gz PFEARMIMJFFWMT-SECBINFHSA-N 2 2 248.417 0.842 20 0 BCADLP C([N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)[C@]12C[C@H]1C[NH2+]C2 ZINC000853246271 588728698 /nfs/dbraw/zinc/72/86/98/588728698.db2.gz IZWVOKIAGXUEHY-MELADBBJSA-N 3 2 235.375 0.671 20 0 BCADLP C([N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)[C@]12C[C@H]1C[NH2+]C2 ZINC000853246271 588728699 /nfs/dbraw/zinc/72/86/99/588728699.db2.gz IZWVOKIAGXUEHY-MELADBBJSA-N 3 2 235.375 0.671 20 0 BCADLP CO[C@@H](C)C(N)=[NH+]OCCc1c[nH+]cn1C ZINC000853673915 588754995 /nfs/dbraw/zinc/75/49/95/588754995.db2.gz LZYHVBMGRRKTDU-QMMMGPOBSA-N 2 2 226.280 0.496 20 0 BCADLP Cn1c[nH+]cc1CCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000853698735 588757760 /nfs/dbraw/zinc/75/77/60/588757760.db2.gz SWVAQXFQZSURDE-JTQLQIEISA-N 2 2 238.291 0.640 20 0 BCADLP C[C@@H](NCC12CC(C1)C[NH2+]2)c1[nH]cc[nH+]1 ZINC000854226238 588780602 /nfs/dbraw/zinc/78/06/02/588780602.db2.gz GBBHSXHTAXNEPA-FKTRJACZSA-N 2 2 206.293 0.812 20 0 BCADLP COC(=O)N(C)CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000854227769 588780843 /nfs/dbraw/zinc/78/08/43/588780843.db2.gz PPCSNBZWSNKBNE-VHSXEESVSA-N 2 2 229.324 0.272 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cc(C)nn1C ZINC000854232328 588781372 /nfs/dbraw/zinc/78/13/72/588781372.db2.gz PPBMYWPEJDJMJZ-VHSXEESVSA-N 2 2 210.325 0.987 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cc(C)nn1C ZINC000854232326 588781471 /nfs/dbraw/zinc/78/14/71/588781471.db2.gz PPBMYWPEJDJMJZ-NXEZZACHSA-N 2 2 210.325 0.987 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000854231146 588781492 /nfs/dbraw/zinc/78/14/92/588781492.db2.gz FHQPVMICXMHIJN-SCZZXKLOSA-N 2 2 208.309 0.985 20 0 BCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(F)CC1 ZINC000855416805 588832029 /nfs/dbraw/zinc/83/20/29/588832029.db2.gz BEJSZUYSWOIVTG-UHFFFAOYSA-N 2 2 245.342 0.488 20 0 BCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(F)CC1 ZINC000855416805 588832030 /nfs/dbraw/zinc/83/20/30/588832030.db2.gz BEJSZUYSWOIVTG-UHFFFAOYSA-N 2 2 245.342 0.488 20 0 BCADLP O=C1C[C@H]([NH2+]CC[NH+]2CCCCC2)CCCN1 ZINC000111826449 582818253 /nfs/dbraw/zinc/81/82/53/582818253.db2.gz VBQCCXOQFRYINK-GFCCVEGCSA-N 2 2 239.363 0.731 20 0 BCADLP CON(C)CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000850479846 582920242 /nfs/dbraw/zinc/92/02/42/582920242.db2.gz DHTIDHAYQYDINN-NXEZZACHSA-N 2 2 201.314 0.019 20 0 BCADLP CON(C)CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000850479846 582920243 /nfs/dbraw/zinc/92/02/43/582920243.db2.gz DHTIDHAYQYDINN-NXEZZACHSA-N 2 2 201.314 0.019 20 0 BCADLP c1n[nH]cc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000393792202 582925147 /nfs/dbraw/zinc/92/51/47/582925147.db2.gz FUIJMHSQEMAIPB-VIFPVBQESA-N 2 2 217.276 0.780 20 0 BCADLP c1n[nH]cc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000393792202 582925150 /nfs/dbraw/zinc/92/51/50/582925150.db2.gz FUIJMHSQEMAIPB-VIFPVBQESA-N 2 2 217.276 0.780 20 0 BCADLP CC(=O)OC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000892721107 582968716 /nfs/dbraw/zinc/96/87/16/582968716.db2.gz IVTOIWDEZJAPTO-ONGXEEELSA-N 2 2 214.309 0.622 20 0 BCADLP CC(=O)OC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000892721107 582968720 /nfs/dbraw/zinc/96/87/20/582968720.db2.gz IVTOIWDEZJAPTO-ONGXEEELSA-N 2 2 214.309 0.622 20 0 BCADLP O[C@@H]1C[C@H]([NH2+]CC[NH+]2CCCC2)C12CCC2 ZINC000852585603 583015037 /nfs/dbraw/zinc/01/50/37/583015037.db2.gz ILJGOMLVAKMUFG-NWDGAFQWSA-N 2 2 224.348 0.975 20 0 BCADLP CC[N@@H+]1CCN(c2nc(N)cc(C)[nH+]2)C[C@H]1C ZINC000892972371 583023363 /nfs/dbraw/zinc/02/33/63/583023363.db2.gz XSQOJCAEPLVSAH-SNVBAGLBSA-N 2 2 235.335 0.898 20 0 BCADLP CC[N@H+]1CCN(c2nc(N)cc(C)[nH+]2)C[C@H]1C ZINC000892972371 583023364 /nfs/dbraw/zinc/02/33/64/583023364.db2.gz XSQOJCAEPLVSAH-SNVBAGLBSA-N 2 2 235.335 0.898 20 0 BCADLP CC(=O)OC[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000893318656 583099668 /nfs/dbraw/zinc/09/96/68/583099668.db2.gz CLJKYXKHPKZYLV-JTQLQIEISA-N 2 2 214.309 0.623 20 0 BCADLP COc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)o1 ZINC000893607692 583172578 /nfs/dbraw/zinc/17/25/78/583172578.db2.gz ZRHOAFOZINTRKV-GFCCVEGCSA-N 2 2 240.303 0.444 20 0 BCADLP COc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)o1 ZINC000893607692 583172579 /nfs/dbraw/zinc/17/25/79/583172579.db2.gz ZRHOAFOZINTRKV-GFCCVEGCSA-N 2 2 240.303 0.444 20 0 BCADLP CCn1ncc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000857085213 588886596 /nfs/dbraw/zinc/88/65/96/588886596.db2.gz BHQIDASECDBLQF-MNOVXSKESA-N 2 2 237.351 0.715 20 0 BCADLP CCn1ncc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000857085213 588886598 /nfs/dbraw/zinc/88/65/98/588886598.db2.gz BHQIDASECDBLQF-MNOVXSKESA-N 2 2 237.351 0.715 20 0 BCADLP CC(=O)OC[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000893707815 583207287 /nfs/dbraw/zinc/20/72/87/583207287.db2.gz YTBXCDNQTZYLHB-ONGXEEELSA-N 2 2 237.303 0.739 20 0 BCADLP CCn1ncc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000857084701 588886243 /nfs/dbraw/zinc/88/62/43/588886243.db2.gz XZRYLVLNERBNAJ-UWVGGRQHSA-N 2 2 223.324 0.467 20 0 BCADLP CCn1ncc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000857084701 588886244 /nfs/dbraw/zinc/88/62/44/588886244.db2.gz XZRYLVLNERBNAJ-UWVGGRQHSA-N 2 2 223.324 0.467 20 0 BCADLP COC[C@@H]([NH2+]CC1CC[NH+](C)CC1)C(=O)OC ZINC000893950837 583260545 /nfs/dbraw/zinc/26/05/45/583260545.db2.gz JAYMZYSOPMMRCU-LLVKDONJSA-N 2 2 244.335 0.106 20 0 BCADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)[C@H](C)N1CCOCC1 ZINC000894245821 583389550 /nfs/dbraw/zinc/38/95/50/583389550.db2.gz DZGBAWWWVLDJPI-QWRGUYRKSA-N 2 2 238.335 0.609 20 0 BCADLP Cc1cc(N)nc(N(C)C[C@@H]2CCC[N@@H+]2C)[nH+]1 ZINC000894248237 583390723 /nfs/dbraw/zinc/39/07/23/583390723.db2.gz JPFDABCUYQGBBP-JTQLQIEISA-N 2 2 235.335 0.898 20 0 BCADLP Cc1cc(N)nc(N(C)C[C@@H]2CCC[N@H+]2C)[nH+]1 ZINC000894248237 583390725 /nfs/dbraw/zinc/39/07/25/583390725.db2.gz JPFDABCUYQGBBP-JTQLQIEISA-N 2 2 235.335 0.898 20 0 BCADLP O=C(NCCC[NH2+]Cc1c[nH+]c[nH]1)C1CCC1 ZINC000894325135 583423048 /nfs/dbraw/zinc/42/30/48/583423048.db2.gz DYBFGDQXQLIYDP-UHFFFAOYSA-N 2 2 236.319 0.806 20 0 BCADLP CC(C)(C)N1C[C@@H]([NH2+]Cc2c[nH+]c[nH]2)CC1=O ZINC000894325884 583423411 /nfs/dbraw/zinc/42/34/11/583423411.db2.gz LULYUFLZRTYGMR-VIFPVBQESA-N 2 2 236.319 0.899 20 0 BCADLP O=C1CCN1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000857233127 588898509 /nfs/dbraw/zinc/89/85/09/588898509.db2.gz XBEDTSXQKSRYHR-LLVKDONJSA-N 2 2 234.303 0.710 20 0 BCADLP O=C1CCN1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000857233127 588898511 /nfs/dbraw/zinc/89/85/11/588898511.db2.gz XBEDTSXQKSRYHR-LLVKDONJSA-N 2 2 234.303 0.710 20 0 BCADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2CN2CCC2=O)C1 ZINC000857235930 588899884 /nfs/dbraw/zinc/89/98/84/588899884.db2.gz VNTADMFTXQUWJJ-NEPJUHHUSA-N 2 2 237.347 0.592 20 0 BCADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2CN2CCC2=O)C1 ZINC000857235930 588899885 /nfs/dbraw/zinc/89/98/85/588899885.db2.gz VNTADMFTXQUWJJ-NEPJUHHUSA-N 2 2 237.347 0.592 20 0 BCADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2CN2CCC2=O)C1 ZINC000857235930 588899887 /nfs/dbraw/zinc/89/98/87/588899887.db2.gz VNTADMFTXQUWJJ-NEPJUHHUSA-N 2 2 237.347 0.592 20 0 BCADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2CN2CCC2=O)C1 ZINC000857235930 588899888 /nfs/dbraw/zinc/89/98/88/588899888.db2.gz VNTADMFTXQUWJJ-NEPJUHHUSA-N 2 2 237.347 0.592 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H]1COCC1(C)C ZINC000894478000 583469742 /nfs/dbraw/zinc/46/97/42/583469742.db2.gz QYSUTIHOXJBCOS-NSHDSACASA-N 2 2 230.352 0.315 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H]1COCC1(C)C ZINC000894478000 583469743 /nfs/dbraw/zinc/46/97/43/583469743.db2.gz QYSUTIHOXJBCOS-NSHDSACASA-N 2 2 230.352 0.315 20 0 BCADLP CN(C)c1cc(N(C)CC2C[NH+](C)C2)nc[nH+]1 ZINC000894541010 583480924 /nfs/dbraw/zinc/48/09/24/583480924.db2.gz RACHGJOXTVDSPA-UHFFFAOYSA-N 2 2 235.335 0.540 20 0 BCADLP COCCN(CC[NH+](C)C)Cc1c[nH]c[nH+]1 ZINC000894770253 583517069 /nfs/dbraw/zinc/51/70/69/583517069.db2.gz NPSRBVFUUVSPNS-UHFFFAOYSA-N 2 2 226.324 0.420 20 0 BCADLP COC(=O)[C@H]1CC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000894912075 583554881 /nfs/dbraw/zinc/55/48/81/583554881.db2.gz PZCAVWWFYDVWJE-GARJFASQSA-N 2 2 228.336 0.868 20 0 BCADLP CO[C@@H]1C[N@H+](Cc2c(C)cc[nH+]c2N)C[C@H]1O ZINC000894915955 583555544 /nfs/dbraw/zinc/55/55/44/583555544.db2.gz XNFONRLHYHJKDM-GHMZBOCLSA-N 2 2 237.303 0.164 20 0 BCADLP CO[C@@H]1C[N@@H+](Cc2c(C)cc[nH+]c2N)C[C@H]1O ZINC000894915955 583555546 /nfs/dbraw/zinc/55/55/46/583555546.db2.gz XNFONRLHYHJKDM-GHMZBOCLSA-N 2 2 237.303 0.164 20 0 BCADLP CON(C)C(=O)C[NH2+]Cc1c(C)cc[nH+]c1N ZINC000895046611 583571195 /nfs/dbraw/zinc/57/11/95/583571195.db2.gz PMISZXLRAOYDMU-UHFFFAOYSA-N 2 2 238.291 0.082 20 0 BCADLP CC(C)(C[NH2+]Cc1c[nH+]c[nH]1)[C@@]1(O)CCOC1 ZINC000895084726 583583971 /nfs/dbraw/zinc/58/39/71/583583971.db2.gz GWVUYHJEFPMLLB-GFCCVEGCSA-N 2 2 239.319 0.677 20 0 BCADLP CCn1nncc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895293281 583639615 /nfs/dbraw/zinc/63/96/15/583639615.db2.gz XZMFZSBBLIWAHR-SNVBAGLBSA-N 2 2 225.340 0.728 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2C(=O)NCC2(C)C)CC[N@@H+]1C ZINC000895323097 583649995 /nfs/dbraw/zinc/64/99/95/583649995.db2.gz YJIYHSWAVOFPDF-MXWKQRLJSA-N 2 2 239.363 0.583 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2C(=O)NCC2(C)C)CC[N@H+]1C ZINC000895323097 583649996 /nfs/dbraw/zinc/64/99/96/583649996.db2.gz YJIYHSWAVOFPDF-MXWKQRLJSA-N 2 2 239.363 0.583 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)n1C ZINC000895325376 583651371 /nfs/dbraw/zinc/65/13/71/583651371.db2.gz PIODSIORNKNGAW-NEPJUHHUSA-N 2 2 239.319 0.046 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)n1C ZINC000895325376 583651372 /nfs/dbraw/zinc/65/13/72/583651372.db2.gz PIODSIORNKNGAW-NEPJUHHUSA-N 2 2 239.319 0.046 20 0 BCADLP CC(C)c1[nH+]ccn1CCNC(=O)C[NH+](C)C ZINC000727486416 583661136 /nfs/dbraw/zinc/66/11/36/583661136.db2.gz KGPOACRIOAPOQY-UHFFFAOYSA-N 2 2 238.335 0.684 20 0 BCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)CC[N@@H+]1C ZINC000857976243 588926269 /nfs/dbraw/zinc/92/62/69/588926269.db2.gz AHRQSUFPVMIIGP-GMTAPVOTSA-N 2 2 248.330 0.784 20 0 BCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)CC[N@H+]1C ZINC000857976243 588926270 /nfs/dbraw/zinc/92/62/70/588926270.db2.gz AHRQSUFPVMIIGP-GMTAPVOTSA-N 2 2 248.330 0.784 20 0 BCADLP C[NH+](C)C1(C(=O)N[C@H]2CCn3c[nH+]cc32)CC1 ZINC000857978360 588926842 /nfs/dbraw/zinc/92/68/42/588926842.db2.gz MURUTJGLUZXLKC-VIFPVBQESA-N 2 2 234.303 0.538 20 0 BCADLP C[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)[NH+](C)C ZINC000857986894 588929097 /nfs/dbraw/zinc/92/90/97/588929097.db2.gz XSKOYMHCDWJKFK-DTWKUNHWSA-N 2 2 222.292 0.394 20 0 BCADLP Cc1[nH]c(CNC(=O)[C@H](C)[NH+](C)C)[nH+]c1C ZINC000896906382 583851206 /nfs/dbraw/zinc/85/12/06/583851206.db2.gz AXKAVCCQIFAQKD-VIFPVBQESA-N 2 2 224.308 0.593 20 0 BCADLP Cc1[nH]c(CNC(=O)[C@H]2CC[N@@H+](C)C2)[nH+]c1C ZINC000896920838 583856478 /nfs/dbraw/zinc/85/64/78/583856478.db2.gz UFYBGPRXTRHIHW-JTQLQIEISA-N 2 2 236.319 0.594 20 0 BCADLP Cc1[nH]c(CNC(=O)[C@H]2CC[N@H+](C)C2)[nH+]c1C ZINC000896920838 583856480 /nfs/dbraw/zinc/85/64/80/583856480.db2.gz UFYBGPRXTRHIHW-JTQLQIEISA-N 2 2 236.319 0.594 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+]C[C@H]2CCCOC2)C1 ZINC000858298238 588942958 /nfs/dbraw/zinc/94/29/58/588942958.db2.gz OVTBRLPLPWPTMQ-VXGBXAGGSA-N 2 2 228.336 0.069 20 0 BCADLP O[C@@H]1CC[N@@H+](CC[NH2+]C[C@H]2CCCOC2)C1 ZINC000858298238 588942959 /nfs/dbraw/zinc/94/29/59/588942959.db2.gz OVTBRLPLPWPTMQ-VXGBXAGGSA-N 2 2 228.336 0.069 20 0 BCADLP CCn1c[nH+]cc1C[NH2+][C@@H](C)C(=O)N(C)OC ZINC000858319843 588945180 /nfs/dbraw/zinc/94/51/80/588945180.db2.gz RZRKWFJDTRKHER-VIFPVBQESA-N 2 2 240.307 0.401 20 0 BCADLP CCON(CC)C(=O)C[NH2+]Cc1c[nH+]cn1C ZINC000858219753 588939634 /nfs/dbraw/zinc/93/96/34/588939634.db2.gz ZAZAOVALNUHPEI-UHFFFAOYSA-N 2 2 240.307 0.310 20 0 BCADLP C[C@H]1C[N@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@H]1O ZINC000897678988 584036963 /nfs/dbraw/zinc/03/69/63/584036963.db2.gz GUBHOFFDHLLQHI-GXSJLCMTSA-N 2 2 238.335 0.299 20 0 BCADLP C[C@H]1C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@H]1O ZINC000897678988 584036964 /nfs/dbraw/zinc/03/69/64/584036964.db2.gz GUBHOFFDHLLQHI-GXSJLCMTSA-N 2 2 238.335 0.299 20 0 BCADLP C[C@@H]1C[N@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@H]1O ZINC000897678990 584037122 /nfs/dbraw/zinc/03/71/22/584037122.db2.gz GUBHOFFDHLLQHI-MWLCHTKSSA-N 2 2 238.335 0.299 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@H]1O ZINC000897678990 584037125 /nfs/dbraw/zinc/03/71/25/584037125.db2.gz GUBHOFFDHLLQHI-MWLCHTKSSA-N 2 2 238.335 0.299 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1C ZINC000897810513 584050475 /nfs/dbraw/zinc/05/04/75/584050475.db2.gz ULYGGSWHCILWTC-FHUSYTEZSA-N 2 2 233.315 0.994 20 0 BCADLP C[NH+]1CCC([NH2+]Cc2cn(CC3CC3)nn2)CC1 ZINC000899723943 584229497 /nfs/dbraw/zinc/22/94/97/584229497.db2.gz HBVXTCCGQQXACL-UHFFFAOYSA-N 2 2 249.362 0.872 20 0 BCADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)N(C)OC)CC1 ZINC000858582266 588969268 /nfs/dbraw/zinc/96/92/68/588969268.db2.gz PLWMDNZZRGYCGO-JTQLQIEISA-N 2 2 243.351 0.469 20 0 BCADLP CON(C)C(=O)[C@@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000858587709 588969544 /nfs/dbraw/zinc/96/95/44/588969544.db2.gz VVVCLZBORGFMBM-AXFHLTTASA-N 2 2 243.351 0.467 20 0 BCADLP CON(C)C(=O)[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000858587709 588969545 /nfs/dbraw/zinc/96/95/45/588969545.db2.gz VVVCLZBORGFMBM-AXFHLTTASA-N 2 2 243.351 0.467 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@@H]1C[NH2+]CC1(C)C ZINC000900021243 584267367 /nfs/dbraw/zinc/26/73/67/584267367.db2.gz VKXVEMDANXIDQW-SSDOTTSWSA-N 2 2 237.307 0.477 20 0 BCADLP O=C(Nc1ccccn1)N1CC[NH2+]CC[NH2+]CC1 ZINC000900476477 584317863 /nfs/dbraw/zinc/31/78/63/584317863.db2.gz ZXERWUNMXFIOIE-UHFFFAOYSA-N 2 2 249.318 0.108 20 0 BCADLP C[NH+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900531339 584322719 /nfs/dbraw/zinc/32/27/19/584322719.db2.gz ZFPJAVUJIBFQCA-LLVKDONJSA-N 2 2 236.319 0.505 20 0 BCADLP C[C@@H](CC[NH+](C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900694472 584338880 /nfs/dbraw/zinc/33/88/80/584338880.db2.gz IRDQPEIBFJWPBR-VIFPVBQESA-N 2 2 224.308 0.409 20 0 BCADLP C[C@@H](CC[NH+](C)C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900694472 584338882 /nfs/dbraw/zinc/33/88/82/584338882.db2.gz IRDQPEIBFJWPBR-VIFPVBQESA-N 2 2 224.308 0.409 20 0 BCADLP C[C@@H]1CC[N@H+](CCNC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900913391 584365388 /nfs/dbraw/zinc/36/53/88/584365388.db2.gz TZZGUOKXXVWEKV-SNVBAGLBSA-N 2 2 236.319 0.410 20 0 BCADLP C[C@@H]1CC[N@@H+](CCNC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900913391 584365390 /nfs/dbraw/zinc/36/53/90/584365390.db2.gz TZZGUOKXXVWEKV-SNVBAGLBSA-N 2 2 236.319 0.410 20 0 BCADLP C[C@@H]1CC[N@H+](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900913391 584365393 /nfs/dbraw/zinc/36/53/93/584365393.db2.gz TZZGUOKXXVWEKV-SNVBAGLBSA-N 2 2 236.319 0.410 20 0 BCADLP C[C@@H]1CC[N@@H+](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900913391 584365395 /nfs/dbraw/zinc/36/53/95/584365395.db2.gz TZZGUOKXXVWEKV-SNVBAGLBSA-N 2 2 236.319 0.410 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902365346 584573152 /nfs/dbraw/zinc/57/31/52/584573152.db2.gz ZGRIWBZLOIEINE-VXGBXAGGSA-N 3 2 243.395 0.277 20 0 BCADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1cc2n(n1)CCC2 ZINC000902406063 584574226 /nfs/dbraw/zinc/57/42/26/584574226.db2.gz KLVZIYJSHYIICN-VIFPVBQESA-N 2 2 220.320 0.971 20 0 BCADLP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2([NH3+])CC2)C1 ZINC000902410194 584575753 /nfs/dbraw/zinc/57/57/53/584575753.db2.gz PXPULTFDPXYSLB-VHSXEESVSA-N 3 2 211.353 0.973 20 0 BCADLP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902440826 584597005 /nfs/dbraw/zinc/59/70/05/584597005.db2.gz APBPXNRDBSSDRY-GHMZBOCLSA-N 3 2 229.368 0.328 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cnn(CCF)c1 ZINC000902445539 584598825 /nfs/dbraw/zinc/59/88/25/584598825.db2.gz MNKFTQUXFNKWRL-JQWIXIFHSA-N 2 2 240.326 0.940 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cnn(CCF)c1 ZINC000902445541 584599064 /nfs/dbraw/zinc/59/90/64/584599064.db2.gz MNKFTQUXFNKWRL-PWSUYJOCSA-N 2 2 240.326 0.940 20 0 BCADLP C[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1[nH+]ccn1C ZINC000902471371 584616346 /nfs/dbraw/zinc/61/63/46/584616346.db2.gz OENSLGYZEAKBQH-UKKRHICBSA-N 2 2 220.320 0.964 20 0 BCADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C[N@@H+]1C1CC1 ZINC000902490014 584617666 /nfs/dbraw/zinc/61/76/66/584617666.db2.gz QWQYADWYDALIPX-BJDJZHNGSA-N 3 2 223.364 0.939 20 0 BCADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C[N@H+]1C1CC1 ZINC000902490014 584617668 /nfs/dbraw/zinc/61/76/68/584617668.db2.gz QWQYADWYDALIPX-BJDJZHNGSA-N 3 2 223.364 0.939 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC[C@H](O)C1CC1 ZINC000902504288 584621568 /nfs/dbraw/zinc/62/15/68/584621568.db2.gz NGZOECXRFUCJDC-WXHSDQCUSA-N 2 2 242.363 0.504 20 0 BCADLP C[NH+](C)CC[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903172119 584732493 /nfs/dbraw/zinc/73/24/93/584732493.db2.gz VUZDBDYNSLMXAH-MNOVXSKESA-N 2 2 214.309 0.086 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CC(CC(N)=O)C1 ZINC000903261816 584740372 /nfs/dbraw/zinc/74/03/72/584740372.db2.gz ZAOHGOZVRLSGKE-IDWGSYCQSA-N 2 2 225.336 0.180 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CC(CC(N)=O)C1 ZINC000903261816 584740373 /nfs/dbraw/zinc/74/03/73/584740373.db2.gz ZAOHGOZVRLSGKE-IDWGSYCQSA-N 2 2 225.336 0.180 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CC(CC(N)=O)C1 ZINC000903261817 584740679 /nfs/dbraw/zinc/74/06/79/584740679.db2.gz ZAOHGOZVRLSGKE-PMUOWJKOSA-N 2 2 225.336 0.180 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CC(CC(N)=O)C1 ZINC000903261817 584740680 /nfs/dbraw/zinc/74/06/80/584740680.db2.gz ZAOHGOZVRLSGKE-PMUOWJKOSA-N 2 2 225.336 0.180 20 0 BCADLP COC[C@H](C[N@H+](CC[NH3+])CCO)C(C)C ZINC000903448682 584771343 /nfs/dbraw/zinc/77/13/43/584771343.db2.gz JCLXSWMCEPSEFS-NSHDSACASA-N 2 2 218.341 0.158 20 0 BCADLP COC[C@H](C[N@@H+](CC[NH3+])CCO)C(C)C ZINC000903448682 584771345 /nfs/dbraw/zinc/77/13/45/584771345.db2.gz JCLXSWMCEPSEFS-NSHDSACASA-N 2 2 218.341 0.158 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCN1C ZINC000903324979 584747443 /nfs/dbraw/zinc/74/74/43/584747443.db2.gz WNPKMCVCUFUGDF-WXHSDQCUSA-N 2 2 223.364 0.763 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCN1C ZINC000903324979 584747445 /nfs/dbraw/zinc/74/74/45/584747445.db2.gz WNPKMCVCUFUGDF-WXHSDQCUSA-N 2 2 223.364 0.763 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000903344598 584752738 /nfs/dbraw/zinc/75/27/38/584752738.db2.gz QVSMYRLALKMQGD-JTQLQIEISA-N 2 2 227.352 0.572 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000903344598 584752739 /nfs/dbraw/zinc/75/27/39/584752739.db2.gz QVSMYRLALKMQGD-JTQLQIEISA-N 2 2 227.352 0.572 20 0 BCADLP CON1CC[C@@H]([N@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000903425085 584765285 /nfs/dbraw/zinc/76/52/85/584765285.db2.gz RATOJRZRNSMMDR-SECBINFHSA-N 2 2 229.324 0.065 20 0 BCADLP CON1CC[C@@H]([N@@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000903425085 584765286 /nfs/dbraw/zinc/76/52/86/584765286.db2.gz RATOJRZRNSMMDR-SECBINFHSA-N 2 2 229.324 0.065 20 0 BCADLP CON1CC[C@@H]([N@H+](C)CC[C@H]([NH3+])C(C)C)C1=O ZINC000903424845 584765394 /nfs/dbraw/zinc/76/53/94/584765394.db2.gz ITYOUFLWTNWWJG-WDEREUQCSA-N 2 2 243.351 0.454 20 0 BCADLP CON1CC[C@@H]([N@@H+](C)CC[C@H]([NH3+])C(C)C)C1=O ZINC000903424845 584765395 /nfs/dbraw/zinc/76/53/95/584765395.db2.gz ITYOUFLWTNWWJG-WDEREUQCSA-N 2 2 243.351 0.454 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCC[NH2+]3)C[C@@H]21 ZINC000903447148 584770586 /nfs/dbraw/zinc/77/05/86/584770586.db2.gz GXPCBNRHXPFXEI-FVCCEPFGSA-N 3 2 223.364 0.798 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCC[NH2+]3)C[C@@H]21 ZINC000903447148 584770587 /nfs/dbraw/zinc/77/05/87/584770587.db2.gz GXPCBNRHXPFXEI-FVCCEPFGSA-N 3 2 223.364 0.798 20 0 BCADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](C[C@H]3CCC[NH2+]3)C[C@H]21 ZINC000903447150 584770623 /nfs/dbraw/zinc/77/06/23/584770623.db2.gz GXPCBNRHXPFXEI-UMSGYPCISA-N 3 2 223.364 0.798 20 0 BCADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](C[C@H]3CCC[NH2+]3)C[C@H]21 ZINC000903447150 584770625 /nfs/dbraw/zinc/77/06/25/584770625.db2.gz GXPCBNRHXPFXEI-UMSGYPCISA-N 3 2 223.364 0.798 20 0 BCADLP COC(=O)C[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903454596 584773283 /nfs/dbraw/zinc/77/32/83/584773283.db2.gz DPPXZIMJPMEZKX-MNOVXSKESA-N 2 2 226.320 0.766 20 0 BCADLP COC(=O)C[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903454596 584773286 /nfs/dbraw/zinc/77/32/86/584773286.db2.gz DPPXZIMJPMEZKX-MNOVXSKESA-N 2 2 226.320 0.766 20 0 BCADLP CCOC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903454409 584773427 /nfs/dbraw/zinc/77/34/27/584773427.db2.gz BNCSNSLNFDNPLH-GRYCIOLGSA-N 2 2 240.347 0.869 20 0 BCADLP CCOC(=O)[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903454409 584773428 /nfs/dbraw/zinc/77/34/28/584773428.db2.gz BNCSNSLNFDNPLH-GRYCIOLGSA-N 2 2 240.347 0.869 20 0 BCADLP CCNC(=O)[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903469828 584774725 /nfs/dbraw/zinc/77/47/25/584774725.db2.gz YEPNBYHBXNWLLZ-ZJUUUORDSA-N 2 2 225.336 0.385 20 0 BCADLP CN(C)C(=O)CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903470198 584774974 /nfs/dbraw/zinc/77/49/74/584774974.db2.gz HTNAFGBVRJPVCA-JTQLQIEISA-N 2 2 225.336 0.339 20 0 BCADLP COC[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)OC ZINC000903472777 584776130 /nfs/dbraw/zinc/77/61/30/584776130.db2.gz WMGQKUOETFSABV-MNOVXSKESA-N 2 2 228.336 0.522 20 0 BCADLP CCN1CC[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1=O ZINC000903472021 584776180 /nfs/dbraw/zinc/77/61/80/584776180.db2.gz PGVLBXYQQIVSJL-QWRGUYRKSA-N 2 2 237.347 0.481 20 0 BCADLP COC[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)OC ZINC000903472889 584776334 /nfs/dbraw/zinc/77/63/34/584776334.db2.gz WMGQKUOETFSABV-QWRGUYRKSA-N 2 2 228.336 0.522 20 0 BCADLP CC1(C)C[C@@H](O)C[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903475975 584776687 /nfs/dbraw/zinc/77/66/87/584776687.db2.gz JMYUFICGNIWMFJ-GHMZBOCLSA-N 2 2 212.337 0.831 20 0 BCADLP CC1(C)C[C@@H](O)C[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903475975 584776688 /nfs/dbraw/zinc/77/66/88/584776688.db2.gz JMYUFICGNIWMFJ-GHMZBOCLSA-N 2 2 212.337 0.831 20 0 BCADLP C([NH2+][C@@H]1CC[NH2+]C12CCCC2)[C@@H]1CC[NH2+]C1 ZINC000903483661 584779349 /nfs/dbraw/zinc/77/93/49/584779349.db2.gz JESTWQFLRSPILV-VXGBXAGGSA-N 3 2 223.364 0.860 20 0 BCADLP CC(C)CNC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903465802 584779491 /nfs/dbraw/zinc/77/94/91/584779491.db2.gz MUGLGJVOOLOEHR-LLVKDONJSA-N 2 2 239.363 0.633 20 0 BCADLP O=C(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)NC1CC1 ZINC000903487653 584780111 /nfs/dbraw/zinc/78/01/11/584780111.db2.gz HMQVQRJEFMKZPN-LLVKDONJSA-N 2 2 237.347 0.529 20 0 BCADLP C[C@@]1([C@H]2CCC[N@H+](CC[NH3+])C2)COC(=O)N1 ZINC000903561537 584782098 /nfs/dbraw/zinc/78/20/98/584782098.db2.gz IUGWPEGYHVICIY-ONGXEEELSA-N 2 2 227.308 0.156 20 0 BCADLP C[C@@]1([C@H]2CCC[N@@H+](CC[NH3+])C2)COC(=O)N1 ZINC000903561537 584782099 /nfs/dbraw/zinc/78/20/99/584782099.db2.gz IUGWPEGYHVICIY-ONGXEEELSA-N 2 2 227.308 0.156 20 0 BCADLP CC(C)OC(=O)CC[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000903557276 584782889 /nfs/dbraw/zinc/78/28/89/584782889.db2.gz MNNJUAJDROLKQZ-JTQLQIEISA-N 2 2 228.336 0.997 20 0 BCADLP CC(C)OC(=O)CC[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000903557276 584782891 /nfs/dbraw/zinc/78/28/91/584782891.db2.gz MNNJUAJDROLKQZ-JTQLQIEISA-N 2 2 228.336 0.997 20 0 BCADLP C[N@H+](CCC[NH3+])Cc1[nH]nc2c1COCC2 ZINC000903716916 584792311 /nfs/dbraw/zinc/79/23/11/584792311.db2.gz DTYSCHOZZARFFT-UHFFFAOYSA-N 2 2 224.308 0.263 20 0 BCADLP C[N@@H+](CCC[NH3+])Cc1[nH]nc2c1COCC2 ZINC000903716916 584792312 /nfs/dbraw/zinc/79/23/12/584792312.db2.gz DTYSCHOZZARFFT-UHFFFAOYSA-N 2 2 224.308 0.263 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000903713286 584793388 /nfs/dbraw/zinc/79/33/88/584793388.db2.gz LKRIRLSTGVZDTJ-GARJFASQSA-N 2 2 226.320 0.609 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000903713286 584793389 /nfs/dbraw/zinc/79/33/89/584793389.db2.gz LKRIRLSTGVZDTJ-GARJFASQSA-N 2 2 226.320 0.609 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000903751236 584795364 /nfs/dbraw/zinc/79/53/64/584795364.db2.gz GOHKOKSRSGHDNA-KXNHARMFSA-N 2 2 238.331 0.479 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000903751236 584795365 /nfs/dbraw/zinc/79/53/65/584795365.db2.gz GOHKOKSRSGHDNA-KXNHARMFSA-N 2 2 238.331 0.479 20 0 BCADLP [NH3+]C1(C[NH2+]C[C@H]2CCCC[NH2+]C2)CCC1 ZINC000903743457 584796460 /nfs/dbraw/zinc/79/64/60/584796460.db2.gz LKBQZEUIPKVULZ-NSHDSACASA-N 3 2 211.353 0.847 20 0 BCADLP C1=CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)[NH2+]C1 ZINC000903783839 584800099 /nfs/dbraw/zinc/80/00/99/584800099.db2.gz FHZTUFHJOZSSOM-NEPJUHHUSA-N 2 2 223.320 0.131 20 0 BCADLP Cc1noc(C[C@H]2CCC[N@H+](CC[NH3+])C2)n1 ZINC000903824333 584804457 /nfs/dbraw/zinc/80/44/57/584804457.db2.gz PBDBBONRQDKODJ-SNVBAGLBSA-N 2 2 224.308 0.591 20 0 BCADLP Cc1noc(C[C@H]2CCC[N@@H+](CC[NH3+])C2)n1 ZINC000903824333 584804458 /nfs/dbraw/zinc/80/44/58/584804458.db2.gz PBDBBONRQDKODJ-SNVBAGLBSA-N 2 2 224.308 0.591 20 0 BCADLP OCC[C@H]1COCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903830015 584805805 /nfs/dbraw/zinc/80/58/05/584805805.db2.gz QLZDVLNQFYRIFV-STQMWFEESA-N 2 2 242.363 0.459 20 0 BCADLP OCC[C@H]1COCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903830015 584805806 /nfs/dbraw/zinc/80/58/06/584805806.db2.gz QLZDVLNQFYRIFV-STQMWFEESA-N 2 2 242.363 0.459 20 0 BCADLP CN(C(=O)C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+])C1CC1 ZINC000903853533 584807856 /nfs/dbraw/zinc/80/78/56/584807856.db2.gz FQLXBRVMMTXGNE-ZWNOBZJWSA-N 2 2 237.347 0.420 20 0 BCADLP CN(C(=O)C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+])C1CC1 ZINC000903853533 584807858 /nfs/dbraw/zinc/80/78/58/584807858.db2.gz FQLXBRVMMTXGNE-ZWNOBZJWSA-N 2 2 237.347 0.420 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])cn1 ZINC000903853091 584808169 /nfs/dbraw/zinc/80/81/69/584808169.db2.gz DFAGJURDLRBDGE-RYUDHWBXSA-N 2 2 220.320 0.733 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])cn1 ZINC000903853091 584808170 /nfs/dbraw/zinc/80/81/70/584808170.db2.gz DFAGJURDLRBDGE-RYUDHWBXSA-N 2 2 220.320 0.733 20 0 BCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCN1CCOC1=O ZINC000903854808 584809568 /nfs/dbraw/zinc/80/95/68/584809568.db2.gz KPJSDVQDGXQWAF-ZYHUDNBSSA-N 2 2 239.319 0.252 20 0 BCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCN1CCOC1=O ZINC000903854808 584809569 /nfs/dbraw/zinc/80/95/69/584809569.db2.gz KPJSDVQDGXQWAF-ZYHUDNBSSA-N 2 2 239.319 0.252 20 0 BCADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCN1CCCC1=O ZINC000903856933 584810224 /nfs/dbraw/zinc/81/02/24/584810224.db2.gz STOLYPBSGBIRND-WCQYABFASA-N 2 2 237.347 0.422 20 0 BCADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCN1CCCC1=O ZINC000903856933 584810225 /nfs/dbraw/zinc/81/02/25/584810225.db2.gz STOLYPBSGBIRND-WCQYABFASA-N 2 2 237.347 0.422 20 0 BCADLP Cn1nccc1C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903861140 584811981 /nfs/dbraw/zinc/81/19/81/584811981.db2.gz VMTTYECVFYDOHF-PWSUYJOCSA-N 2 2 220.320 0.733 20 0 BCADLP Cn1nccc1C[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903861140 584811982 /nfs/dbraw/zinc/81/19/82/584811982.db2.gz VMTTYECVFYDOHF-PWSUYJOCSA-N 2 2 220.320 0.733 20 0 BCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCO[C@@H]1CCOC1 ZINC000903863166 584812880 /nfs/dbraw/zinc/81/28/80/584812880.db2.gz JQNVPCPSLAZROY-JHJVBQTASA-N 2 2 240.347 0.605 20 0 BCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCO[C@@H]1CCOC1 ZINC000903863166 584812882 /nfs/dbraw/zinc/81/28/82/584812882.db2.gz JQNVPCPSLAZROY-JHJVBQTASA-N 2 2 240.347 0.605 20 0 BCADLP CCOCCOCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869619 584814505 /nfs/dbraw/zinc/81/45/05/584814505.db2.gz IYMYGBAJIWTXNR-CYBMUJFWSA-N 2 2 242.363 0.867 20 0 BCADLP CCOCCOCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869619 584814506 /nfs/dbraw/zinc/81/45/06/584814506.db2.gz IYMYGBAJIWTXNR-CYBMUJFWSA-N 2 2 242.363 0.867 20 0 BCADLP CCOC[C@@H](O)C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869267 584814650 /nfs/dbraw/zinc/81/46/50/584814650.db2.gz FTKRTLXIDIBTHJ-NWDGAFQWSA-N 2 2 228.336 0.212 20 0 BCADLP CCOC[C@@H](O)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869267 584814651 /nfs/dbraw/zinc/81/46/51/584814651.db2.gz FTKRTLXIDIBTHJ-NWDGAFQWSA-N 2 2 228.336 0.212 20 0 BCADLP C[C@]12CSC[C@H]1C[N@H+](C[C@H]1C[NH2+]CCO1)C2 ZINC000903871952 584815038 /nfs/dbraw/zinc/81/50/38/584815038.db2.gz TWEMBMYTQZLHRV-UTUOFQBUSA-N 2 2 242.388 0.660 20 0 BCADLP C[C@]12CSC[C@H]1C[N@@H+](C[C@H]1C[NH2+]CCO1)C2 ZINC000903871952 584815040 /nfs/dbraw/zinc/81/50/40/584815040.db2.gz TWEMBMYTQZLHRV-UTUOFQBUSA-N 2 2 242.388 0.660 20 0 BCADLP Nc1cc(CN2CCC[C@]23CC[NH2+]C3)cc[nH+]1 ZINC000903871797 584815534 /nfs/dbraw/zinc/81/55/34/584815534.db2.gz VSPJSNAPSDUAAN-CYBMUJFWSA-N 2 2 232.331 0.992 20 0 BCADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@H](O)C1 ZINC000903873166 584815903 /nfs/dbraw/zinc/81/59/03/584815903.db2.gz LOELXGDKDOMFAG-YUMQZZPRSA-N 2 2 208.252 0.426 20 0 BCADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@H](O)C1 ZINC000903873166 584815904 /nfs/dbraw/zinc/81/59/04/584815904.db2.gz LOELXGDKDOMFAG-YUMQZZPRSA-N 2 2 208.252 0.426 20 0 BCADLP COC(=O)C[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000903883781 584818276 /nfs/dbraw/zinc/81/82/76/584818276.db2.gz KBEGZTIIVSFAMA-UHFFFAOYSA-N 2 2 248.326 0.937 20 0 BCADLP COC(=O)C[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000903883781 584818278 /nfs/dbraw/zinc/81/82/78/584818278.db2.gz KBEGZTIIVSFAMA-UHFFFAOYSA-N 2 2 248.326 0.937 20 0 BCADLP CNC(=O)[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903892711 584818683 /nfs/dbraw/zinc/81/86/83/584818683.db2.gz LZKMHHBTRSBQCB-BDAKNGLRSA-N 2 2 249.305 0.427 20 0 BCADLP CNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903892711 584818684 /nfs/dbraw/zinc/81/86/84/584818684.db2.gz LZKMHHBTRSBQCB-BDAKNGLRSA-N 2 2 249.305 0.427 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@@H]([NH3+])CC(F)F)C[C@@H]1O ZINC000903913323 584822260 /nfs/dbraw/zinc/82/22/60/584822260.db2.gz OIEKLQZOZZKQRC-VGMNWLOBSA-N 2 2 222.279 0.672 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@@H]([NH3+])CC(F)F)C[C@@H]1O ZINC000903913323 584822261 /nfs/dbraw/zinc/82/22/61/584822261.db2.gz OIEKLQZOZZKQRC-VGMNWLOBSA-N 2 2 222.279 0.672 20 0 BCADLP CC(C)N1CC[C@@H]([NH2+]C[C@@H]([NH3+])CC(F)F)C1=O ZINC000903923338 584823630 /nfs/dbraw/zinc/82/36/30/584823630.db2.gz QYROOFSAXPQFGB-DTWKUNHWSA-N 2 2 249.305 0.568 20 0 BCADLP Cc1c(C[NH2+]C[C@H]([NH3+])CC(F)F)cnn1C ZINC000903927059 584824224 /nfs/dbraw/zinc/82/42/24/584824224.db2.gz POUPAZRLDDHIKW-SECBINFHSA-N 2 2 232.278 0.801 20 0 BCADLP C[N@H+](C[C@@H]([NH3+])CC(F)F)C[C@H]1COCCO1 ZINC000903933042 584824729 /nfs/dbraw/zinc/82/47/29/584824729.db2.gz KEHKEIRNKFNBJV-IUCAKERBSA-N 2 2 238.278 0.316 20 0 BCADLP C[N@@H+](C[C@@H]([NH3+])CC(F)F)C[C@H]1COCCO1 ZINC000903933042 584824731 /nfs/dbraw/zinc/82/47/31/584824731.db2.gz KEHKEIRNKFNBJV-IUCAKERBSA-N 2 2 238.278 0.316 20 0 BCADLP C[NH2+]CC[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903918150 584827227 /nfs/dbraw/zinc/82/72/27/584827227.db2.gz TZQOWEFNQUUPEL-UHFFFAOYSA-N 3 2 219.332 0.641 20 0 BCADLP C[NH+]1CCC([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903956699 584832150 /nfs/dbraw/zinc/83/21/50/584832150.db2.gz NBWOCHVITATVEL-JTQLQIEISA-N 3 2 247.333 0.915 20 0 BCADLP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000903956122 584832337 /nfs/dbraw/zinc/83/23/37/584832337.db2.gz HGFPMXIJIMCWOS-SECBINFHSA-N 3 2 233.306 0.573 20 0 BCADLP CC(C)C[C@H]([NH3+])C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903968170 584834967 /nfs/dbraw/zinc/83/49/67/584834967.db2.gz RDIIMAZPPANFJO-WOPDTQHZSA-N 3 2 213.369 0.805 20 0 BCADLP C[C@]1(C[N@@H+]2CC[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904300018 584860885 /nfs/dbraw/zinc/86/08/85/584860885.db2.gz UKBJMZBEXMAEJW-RYUDHWBXSA-N 3 2 211.353 0.657 20 0 BCADLP C[C@]1(C[N@H+]2CC[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904300018 584860886 /nfs/dbraw/zinc/86/08/86/584860886.db2.gz UKBJMZBEXMAEJW-RYUDHWBXSA-N 3 2 211.353 0.657 20 0 BCADLP CC(C)NC(=O)C[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904304148 584861840 /nfs/dbraw/zinc/86/18/40/584861840.db2.gz SNXPVMIXHYBTMK-ZDUSSCGKSA-N 2 2 241.379 0.833 20 0 BCADLP CC(C)NC(=O)C[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904304148 584861841 /nfs/dbraw/zinc/86/18/41/584861841.db2.gz SNXPVMIXHYBTMK-ZDUSSCGKSA-N 2 2 241.379 0.833 20 0 BCADLP CCNC(=O)C[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904311482 584863009 /nfs/dbraw/zinc/86/30/09/584863009.db2.gz CNUACQSQEXGFOI-LBPRGKRZSA-N 2 2 227.352 0.444 20 0 BCADLP CCNC(=O)C[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904311482 584863010 /nfs/dbraw/zinc/86/30/10/584863010.db2.gz CNUACQSQEXGFOI-LBPRGKRZSA-N 2 2 227.352 0.444 20 0 BCADLP [NH3+]C1(CNC(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000904346757 584868102 /nfs/dbraw/zinc/86/81/02/584868102.db2.gz WQRFHDJZFLGKID-UHFFFAOYSA-N 2 2 245.286 0.947 20 0 BCADLP CC[NH2+]CCNCc1[nH+]ccn1C1CC1 ZINC000904353225 584869753 /nfs/dbraw/zinc/86/97/53/584869753.db2.gz JGMKROZXWPJPIZ-UHFFFAOYSA-N 2 2 208.309 0.917 20 0 BCADLP CC1([NH2+]Cc2ccc(N)nn2)CC[NH2+]CC1 ZINC000904354513 584870445 /nfs/dbraw/zinc/87/04/45/584870445.db2.gz ARHXMGHQKZBOKV-UHFFFAOYSA-N 2 2 221.308 0.291 20 0 BCADLP C[C@@]1(C[NH2+]C[C@@H]([NH3+])C2CC2)CCC[NH2+]C1 ZINC000904355730 584871183 /nfs/dbraw/zinc/87/11/83/584871183.db2.gz QWVHZJICDOGQCB-VXGBXAGGSA-N 3 2 211.353 0.703 20 0 BCADLP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000904368726 584872868 /nfs/dbraw/zinc/87/28/68/584872868.db2.gz MQMDTCPAGRYNOE-WOPDTQHZSA-N 2 2 244.379 0.568 20 0 BCADLP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000904368726 584872870 /nfs/dbraw/zinc/87/28/70/584872870.db2.gz MQMDTCPAGRYNOE-WOPDTQHZSA-N 2 2 244.379 0.568 20 0 BCADLP c1cn(C2CC2)c(CNC[C@@H]2C[NH2+]CCO2)[nH+]1 ZINC000904371141 584873093 /nfs/dbraw/zinc/87/30/93/584873093.db2.gz KFCKMUJUXMNWLN-NSHDSACASA-N 2 2 236.319 0.296 20 0 BCADLP C[C@]1(C[N@@H+]2CCCO[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904371506 584873166 /nfs/dbraw/zinc/87/31/66/584873166.db2.gz OULDXDUMGWBQOO-OLZOCXBDSA-N 3 2 241.379 0.426 20 0 BCADLP C[C@]1(C[N@H+]2CCCO[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904371506 584873167 /nfs/dbraw/zinc/87/31/67/584873167.db2.gz OULDXDUMGWBQOO-OLZOCXBDSA-N 3 2 241.379 0.426 20 0 BCADLP CCOC(=O)[C@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000904389357 584875504 /nfs/dbraw/zinc/87/55/04/584875504.db2.gz KXNUEGPFWGLSGQ-AKJDGMEZSA-N 2 2 238.331 0.623 20 0 BCADLP CCOC(=O)[C@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000904389357 584875505 /nfs/dbraw/zinc/87/55/05/584875505.db2.gz KXNUEGPFWGLSGQ-AKJDGMEZSA-N 2 2 238.331 0.623 20 0 BCADLP CC1(CN2CC[NH2+]CC[NH2+]CC2)CCC1 ZINC000904396558 584875715 /nfs/dbraw/zinc/87/57/15/584875715.db2.gz KYUJKIYTEODIOF-UHFFFAOYSA-N 2 2 211.353 0.671 20 0 BCADLP c1cn(C2CC2)c(CNC[C@@H]2COCC[NH2+]2)[nH+]1 ZINC000904381428 584876629 /nfs/dbraw/zinc/87/66/29/584876629.db2.gz OUMLRXCNNBHPJC-SNVBAGLBSA-N 2 2 236.319 0.296 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@]1(C)CCC[NH2+]C1)C2 ZINC000904384667 584877217 /nfs/dbraw/zinc/87/72/17/584877217.db2.gz LKFZNLZRGINIKE-BFHYXJOUSA-N 3 2 237.391 0.917 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@]1(C)CCC[NH2+]C1)C2 ZINC000904384667 584877218 /nfs/dbraw/zinc/87/72/18/584877218.db2.gz LKFZNLZRGINIKE-BFHYXJOUSA-N 3 2 237.391 0.917 20 0 BCADLP C[C@@]1(C[N@@H+]2CCCn3nncc3C2)CCC[NH2+]C1 ZINC000904386200 584878076 /nfs/dbraw/zinc/87/80/76/584878076.db2.gz RXXSSCDDSLQUKR-CYBMUJFWSA-N 2 2 249.362 0.874 20 0 BCADLP C[C@@]1(C[N@H+]2CCCn3nncc3C2)CCC[NH2+]C1 ZINC000904386200 584878078 /nfs/dbraw/zinc/87/80/78/584878078.db2.gz RXXSSCDDSLQUKR-CYBMUJFWSA-N 2 2 249.362 0.874 20 0 BCADLP CCn1cc[nH+]c1CN1CCC[C@@]([NH3+])(CO)C1 ZINC000904402961 584878546 /nfs/dbraw/zinc/87/85/46/584878546.db2.gz XPGISLGKPGJJCD-LBPRGKRZSA-N 2 2 238.335 0.189 20 0 BCADLP Cc1cc(NC(=O)NCC2([NH3+])CC2)cc[nH+]1 ZINC000904397619 584880352 /nfs/dbraw/zinc/88/03/52/584880352.db2.gz HBJZCRCAZCYDFF-UHFFFAOYSA-N 2 2 220.276 0.425 20 0 BCADLP Cc1cc(NC(=O)NCC2([NH3+])CC2)c(C)c[nH+]1 ZINC000904397136 584880445 /nfs/dbraw/zinc/88/04/45/584880445.db2.gz AEPHCVLEHMXUIH-UHFFFAOYSA-N 2 2 234.303 0.733 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](C)[NH3+] ZINC000877107754 584890387 /nfs/dbraw/zinc/89/03/87/584890387.db2.gz LHYXGQXLEXPDRC-ZETCQYMHSA-N 2 2 210.281 0.066 20 0 BCADLP CCn1ncc(C[NH2+]C[C@H]2CC[N@H+](CC)C2)n1 ZINC000838904763 585077652 /nfs/dbraw/zinc/07/76/52/585077652.db2.gz SCGVRTUDTOVIHM-LLVKDONJSA-N 2 2 237.351 0.729 20 0 BCADLP CCn1ncc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)n1 ZINC000838904763 585077653 /nfs/dbraw/zinc/07/76/53/585077653.db2.gz SCGVRTUDTOVIHM-LLVKDONJSA-N 2 2 237.351 0.729 20 0 BCADLP COC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)[C@@H]1CCCOC1 ZINC000886915834 585193586 /nfs/dbraw/zinc/19/35/86/585193586.db2.gz KQZRLEQNRUASHC-ZYHUDNBSSA-N 2 2 239.319 0.941 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCNc1ncccn1 ZINC000756125614 585314959 /nfs/dbraw/zinc/31/49/59/585314959.db2.gz BBSGMNQJVAEHLA-NEPJUHHUSA-N 2 2 249.362 0.818 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCNc1ncccn1 ZINC000756125614 585314960 /nfs/dbraw/zinc/31/49/60/585314960.db2.gz BBSGMNQJVAEHLA-NEPJUHHUSA-N 2 2 249.362 0.818 20 0 BCADLP Cc1cc[nH+]c(N2CCC[N@H+](CC(N)=O)CC2)c1 ZINC000757836552 585345891 /nfs/dbraw/zinc/34/58/91/585345891.db2.gz ATAJFUMFBPRKLF-UHFFFAOYSA-N 2 2 248.330 0.387 20 0 BCADLP Cc1cc[nH+]c(N2CCC[N@@H+](CC(N)=O)CC2)c1 ZINC000757836552 585345892 /nfs/dbraw/zinc/34/58/92/585345892.db2.gz ATAJFUMFBPRKLF-UHFFFAOYSA-N 2 2 248.330 0.387 20 0 BCADLP C[C@H]1CN(Cc2[nH+]ccn2C)CC[N@@H+]1C ZINC000761081455 585407059 /nfs/dbraw/zinc/40/70/59/585407059.db2.gz ZAVAVMLSKDQYAU-JTQLQIEISA-N 2 2 208.309 0.556 20 0 BCADLP C[C@H]1CN(Cc2[nH+]ccn2C)CC[N@H+]1C ZINC000761081455 585407060 /nfs/dbraw/zinc/40/70/60/585407060.db2.gz ZAVAVMLSKDQYAU-JTQLQIEISA-N 2 2 208.309 0.556 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)C1([NH+](C)C)CCC1 ZINC000762977686 585440619 /nfs/dbraw/zinc/44/06/19/585440619.db2.gz ATXBBGIXSUQYMF-UHFFFAOYSA-N 2 2 236.319 0.521 20 0 BCADLP C[C@H]1C[N@H+](CCF)CC[C@H]1N1CC[NH+](C)CC1 ZINC000764466481 585465972 /nfs/dbraw/zinc/46/59/72/585465972.db2.gz KQFONEBYEBCKMI-QWHCGFSZSA-N 2 2 243.370 0.914 20 0 BCADLP C[C@H]1C[N@@H+](CCF)CC[C@H]1N1CC[NH+](C)CC1 ZINC000764466481 585465973 /nfs/dbraw/zinc/46/59/73/585465973.db2.gz KQFONEBYEBCKMI-QWHCGFSZSA-N 2 2 243.370 0.914 20 0 BCADLP C[C@H]1C[N@H+](CCF)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000764466483 585465991 /nfs/dbraw/zinc/46/59/91/585465991.db2.gz KQFONEBYEBCKMI-STQMWFEESA-N 2 2 243.370 0.914 20 0 BCADLP C[C@H]1C[N@@H+](CCF)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000764466483 585465992 /nfs/dbraw/zinc/46/59/92/585465992.db2.gz KQFONEBYEBCKMI-STQMWFEESA-N 2 2 243.370 0.914 20 0 BCADLP C[C@@H]1C[N@H+](CCF)CC[C@H]1N1CC[NH+](C)CC1 ZINC000764466476 585466009 /nfs/dbraw/zinc/46/60/09/585466009.db2.gz KQFONEBYEBCKMI-CHWSQXEVSA-N 2 2 243.370 0.914 20 0 BCADLP C[C@@H]1C[N@@H+](CCF)CC[C@H]1N1CC[NH+](C)CC1 ZINC000764466476 585466010 /nfs/dbraw/zinc/46/60/10/585466010.db2.gz KQFONEBYEBCKMI-CHWSQXEVSA-N 2 2 243.370 0.914 20 0 BCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCNC(=O)C1 ZINC000767371660 585518165 /nfs/dbraw/zinc/51/81/65/585518165.db2.gz VUPVWYHEKOGBDP-NSHDSACASA-N 2 2 225.336 0.293 20 0 BCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCCNC(=O)C1 ZINC000767371660 585518166 /nfs/dbraw/zinc/51/81/66/585518166.db2.gz VUPVWYHEKOGBDP-NSHDSACASA-N 2 2 225.336 0.293 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCNC(=O)C1 ZINC000767371660 585518167 /nfs/dbraw/zinc/51/81/67/585518167.db2.gz VUPVWYHEKOGBDP-NSHDSACASA-N 2 2 225.336 0.293 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCCNC(=O)C1 ZINC000767371660 585518168 /nfs/dbraw/zinc/51/81/68/585518168.db2.gz VUPVWYHEKOGBDP-NSHDSACASA-N 2 2 225.336 0.293 20 0 BCADLP C[N@@H+]1CCCC[C@@H]1C(=O)OCCn1cc[nH+]c1 ZINC000771978803 585606198 /nfs/dbraw/zinc/60/61/98/585606198.db2.gz PBQZJSHCEBGZSQ-LLVKDONJSA-N 2 2 237.303 0.911 20 0 BCADLP C[N@H+]1CCCC[C@@H]1C(=O)OCCn1cc[nH+]c1 ZINC000771978803 585606199 /nfs/dbraw/zinc/60/61/99/585606199.db2.gz PBQZJSHCEBGZSQ-LLVKDONJSA-N 2 2 237.303 0.911 20 0 BCADLP COCCOC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000773029715 585629703 /nfs/dbraw/zinc/62/97/03/585629703.db2.gz ZTRSMAURGYMJRZ-VXGBXAGGSA-N 2 2 242.363 0.864 20 0 BCADLP COCCOC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000773029715 585629704 /nfs/dbraw/zinc/62/97/04/585629704.db2.gz ZTRSMAURGYMJRZ-VXGBXAGGSA-N 2 2 242.363 0.864 20 0 BCADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(C=O)CC1 ZINC000774118794 585650774 /nfs/dbraw/zinc/65/07/74/585650774.db2.gz NJVFSWPKEXAHGV-ZDUSSCGKSA-N 2 2 239.363 0.681 20 0 BCADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(C=O)CC1 ZINC000774118794 585650775 /nfs/dbraw/zinc/65/07/75/585650775.db2.gz NJVFSWPKEXAHGV-ZDUSSCGKSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@@H](C[NH+]1CCOCC1)N1CC[N@@H+](C)[C@H](C)C1 ZINC000774736584 585664692 /nfs/dbraw/zinc/66/46/92/585664692.db2.gz FYHTZPUICUUYAF-OLZOCXBDSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1CCOCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000775567385 585680090 /nfs/dbraw/zinc/68/00/90/585680090.db2.gz HCNAULUZJKIQMF-CHWSQXEVSA-N 2 2 242.363 0.554 20 0 BCADLP C[C@@H]1CCOCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000775567385 585680091 /nfs/dbraw/zinc/68/00/91/585680091.db2.gz HCNAULUZJKIQMF-CHWSQXEVSA-N 2 2 242.363 0.554 20 0 BCADLP c1cn([C@@H]2CCC[N@@H+](Cn3cnnc3)C2)c[nH+]1 ZINC000776759316 585704241 /nfs/dbraw/zinc/70/42/41/585704241.db2.gz LIGYHASDBDKMIK-LLVKDONJSA-N 2 2 232.291 0.769 20 0 BCADLP c1cn([C@@H]2CCC[N@H+](Cn3cnnc3)C2)c[nH+]1 ZINC000776759316 585704242 /nfs/dbraw/zinc/70/42/42/585704242.db2.gz LIGYHASDBDKMIK-LLVKDONJSA-N 2 2 232.291 0.769 20 0 BCADLP C[C@@H](CCO)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000779347692 585752326 /nfs/dbraw/zinc/75/23/26/585752326.db2.gz MMUWMUXRMPWXIQ-WDEREUQCSA-N 2 2 200.326 0.831 20 0 BCADLP C[C@@H](CCO)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000779347692 585752327 /nfs/dbraw/zinc/75/23/27/585752327.db2.gz MMUWMUXRMPWXIQ-WDEREUQCSA-N 2 2 200.326 0.831 20 0 BCADLP CC[N@H+](CCC[NH+]1CCCCC1)CC(=O)NC ZINC000781884265 585804864 /nfs/dbraw/zinc/80/48/64/585804864.db2.gz KOLQNFLWODBWDP-UHFFFAOYSA-N 2 2 241.379 0.930 20 0 BCADLP CC[N@@H+](CCC[NH+]1CCCCC1)CC(=O)NC ZINC000781884265 585804865 /nfs/dbraw/zinc/80/48/65/585804865.db2.gz KOLQNFLWODBWDP-UHFFFAOYSA-N 2 2 241.379 0.930 20 0 BCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+](C)C2CC2)C1 ZINC000783977001 585846619 /nfs/dbraw/zinc/84/66/19/585846619.db2.gz YUWNXEHITDMHSN-JTQLQIEISA-N 2 2 248.330 0.788 20 0 BCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+](C)C2CC2)C1 ZINC000783977001 585846620 /nfs/dbraw/zinc/84/66/20/585846620.db2.gz YUWNXEHITDMHSN-JTQLQIEISA-N 2 2 248.330 0.788 20 0 BCADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1nnnn1C1CC1 ZINC000792470349 586000849 /nfs/dbraw/zinc/00/08/49/586000849.db2.gz JYXRYRRBFBFOSE-SECBINFHSA-N 2 2 247.306 0.555 20 0 BCADLP C[N@@H+]1CC[C@]2(CC[NH+](CN3CCCC3=O)C2)C1 ZINC000793770913 586026274 /nfs/dbraw/zinc/02/62/74/586026274.db2.gz ZHBGUKHWLXTCCJ-ZDUSSCGKSA-N 2 2 237.347 0.594 20 0 BCADLP C[N@H+]1CC[C@]2(CC[NH+](CN3CCCC3=O)C2)C1 ZINC000793770913 586026275 /nfs/dbraw/zinc/02/62/75/586026275.db2.gz ZHBGUKHWLXTCCJ-ZDUSSCGKSA-N 2 2 237.347 0.594 20 0 BCADLP C[NH+]1CC[C@]2(CC[N@H+](CN3CCCC3=O)C2)C1 ZINC000793770913 586026276 /nfs/dbraw/zinc/02/62/76/586026276.db2.gz ZHBGUKHWLXTCCJ-ZDUSSCGKSA-N 2 2 237.347 0.594 20 0 BCADLP C[NH+]1CC[C@]2(CC[N@@H+](CN3CCCC3=O)C2)C1 ZINC000793770913 586026277 /nfs/dbraw/zinc/02/62/77/586026277.db2.gz ZHBGUKHWLXTCCJ-ZDUSSCGKSA-N 2 2 237.347 0.594 20 0 BCADLP OCCCC[NH+]1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000796449988 586103481 /nfs/dbraw/zinc/10/34/81/586103481.db2.gz ODGKQWYQKKIGMM-UHFFFAOYSA-N 2 2 238.335 0.300 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)CC[S@](C)=O ZINC000798196921 586140081 /nfs/dbraw/zinc/14/00/81/586140081.db2.gz QYLQOGMKXGLQTR-HNNXBMFYSA-N 2 2 229.349 0.584 20 0 BCADLP C[S@](=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000798197694 586140320 /nfs/dbraw/zinc/14/03/20/586140320.db2.gz SYWBLAYVXZMAIK-WBMJQRKESA-N 2 2 244.404 0.783 20 0 BCADLP C[S@](=O)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000798197694 586140321 /nfs/dbraw/zinc/14/03/21/586140321.db2.gz SYWBLAYVXZMAIK-WBMJQRKESA-N 2 2 244.404 0.783 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+](CC[S@@](C)=O)C1 ZINC000798198059 586140425 /nfs/dbraw/zinc/14/04/25/586140425.db2.gz VSSPWZUKURQAEH-IAQYHMDHSA-N 2 2 232.393 0.639 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC[S@@](C)=O)C1 ZINC000798198059 586140426 /nfs/dbraw/zinc/14/04/26/586140426.db2.gz VSSPWZUKURQAEH-IAQYHMDHSA-N 2 2 232.393 0.639 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+](CC[S@@](C)=O)C1 ZINC000798198059 586140427 /nfs/dbraw/zinc/14/04/27/586140427.db2.gz VSSPWZUKURQAEH-IAQYHMDHSA-N 2 2 232.393 0.639 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC[S@@](C)=O)C1 ZINC000798198059 586140428 /nfs/dbraw/zinc/14/04/28/586140428.db2.gz VSSPWZUKURQAEH-IAQYHMDHSA-N 2 2 232.393 0.639 20 0 BCADLP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000859622660 589049733 /nfs/dbraw/zinc/04/97/33/589049733.db2.gz BLIMMXRCXHMADN-LLVKDONJSA-N 2 2 236.319 0.354 20 0 BCADLP Cc1c[nH+]cn1CC(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000859622660 589049735 /nfs/dbraw/zinc/04/97/35/589049735.db2.gz BLIMMXRCXHMADN-LLVKDONJSA-N 2 2 236.319 0.354 20 0 BCADLP Cn1ncc(C[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000806165217 586406785 /nfs/dbraw/zinc/40/67/85/586406785.db2.gz DWAVOXLQDKNVSG-AGIUHOORSA-N 2 2 249.362 0.778 20 0 BCADLP Cn1ncc(C[NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000806165217 586406788 /nfs/dbraw/zinc/40/67/88/586406788.db2.gz DWAVOXLQDKNVSG-AGIUHOORSA-N 2 2 249.362 0.778 20 0 BCADLP Cc1cc(NC(=O)N(C)C[C@@H](C)[NH3+])c(C)c[nH+]1 ZINC000859668623 589053257 /nfs/dbraw/zinc/05/32/57/589053257.db2.gz BKKVTURZGCTMKK-SECBINFHSA-N 2 2 236.319 0.931 20 0 BCADLP Cc1cc(NC(=O)N(C)C[C@@H](C)[NH3+])cc[nH+]1 ZINC000859669720 589053940 /nfs/dbraw/zinc/05/39/40/589053940.db2.gz ZPVNRUIPGBCWAB-MRVPVSSYSA-N 2 2 222.292 0.623 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)CCCn1cc[nH+]c1 ZINC000811588411 586561831 /nfs/dbraw/zinc/56/18/31/586561831.db2.gz KCGOXYONEHYCDS-UHFFFAOYSA-N 2 2 247.302 0.713 20 0 BCADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC3OCCO3)C2)C1 ZINC000815143650 586669450 /nfs/dbraw/zinc/66/94/50/586669450.db2.gz NARHWXYUVIZCGD-ZDUSSCGKSA-N 2 2 240.347 0.777 20 0 BCADLP C[N@H+]1CCC[C@]2(CC[NH+](CC3OCCO3)C2)C1 ZINC000815143650 586669452 /nfs/dbraw/zinc/66/94/52/586669452.db2.gz NARHWXYUVIZCGD-ZDUSSCGKSA-N 2 2 240.347 0.777 20 0 BCADLP C[NH+]1CCC[C@]2(CC[N@H+](CC3OCCO3)C2)C1 ZINC000815143650 586669454 /nfs/dbraw/zinc/66/94/54/586669454.db2.gz NARHWXYUVIZCGD-ZDUSSCGKSA-N 2 2 240.347 0.777 20 0 BCADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC3OCCO3)C2)C1 ZINC000815143650 586669455 /nfs/dbraw/zinc/66/94/55/586669455.db2.gz NARHWXYUVIZCGD-ZDUSSCGKSA-N 2 2 240.347 0.777 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(C)OCCO1 ZINC000817917240 586832412 /nfs/dbraw/zinc/83/24/12/586832412.db2.gz OQLIFTMCFSBKCU-ZJUUUORDSA-N 2 2 214.309 0.337 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000817890940 586833192 /nfs/dbraw/zinc/83/31/92/586833192.db2.gz CDZNHYLSLFYXEC-GHMZBOCLSA-N 2 2 227.352 0.442 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000817890942 586833241 /nfs/dbraw/zinc/83/32/41/586833241.db2.gz CDZNHYLSLFYXEC-QWRGUYRKSA-N 2 2 227.352 0.442 20 0 BCADLP CCc1cc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])[nH]n1 ZINC000817891765 586833385 /nfs/dbraw/zinc/83/33/85/586833385.db2.gz GSPQPOIDMZDXBP-WDEREUQCSA-N 2 2 208.309 0.942 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(C)OCCCO1 ZINC000817926208 586840999 /nfs/dbraw/zinc/84/09/99/586840999.db2.gz AFQBWUURHFRWND-MNOVXSKESA-N 2 2 228.336 0.727 20 0 BCADLP C[C@H]([NH2+]CC1(C)OCCCO1)[C@@H]1CCC[NH2+]1 ZINC000817926266 586841649 /nfs/dbraw/zinc/84/16/49/586841649.db2.gz CQOGJYYMAXLQGO-QWRGUYRKSA-N 2 2 228.336 0.870 20 0 BCADLP NC(=O)CC[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000818946692 586916581 /nfs/dbraw/zinc/91/65/81/586916581.db2.gz DXXXJCKDNBBLHS-UHFFFAOYSA-N 2 2 245.286 0.232 20 0 BCADLP O[C@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000819244489 586942877 /nfs/dbraw/zinc/94/28/77/586942877.db2.gz KRELFYNLRMTPMP-WDEREUQCSA-N 2 2 221.304 0.558 20 0 BCADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000820294719 587041873 /nfs/dbraw/zinc/04/18/73/587041873.db2.gz BYNFJGVGUORAJX-HBNTYKKESA-N 2 2 248.330 0.676 20 0 BCADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@H+]1C ZINC000820294719 587041875 /nfs/dbraw/zinc/04/18/75/587041875.db2.gz BYNFJGVGUORAJX-HBNTYKKESA-N 2 2 248.330 0.676 20 0 BCADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+]1C ZINC000820294719 587041877 /nfs/dbraw/zinc/04/18/77/587041877.db2.gz BYNFJGVGUORAJX-HBNTYKKESA-N 2 2 248.330 0.676 20 0 BCADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+]1C ZINC000820294719 587041879 /nfs/dbraw/zinc/04/18/79/587041879.db2.gz BYNFJGVGUORAJX-HBNTYKKESA-N 2 2 248.330 0.676 20 0 BCADLP C[N@@H+]1CC[C@H](CC(=O)Nc2cc[nH+]cc2O)C1 ZINC000821378741 587114469 /nfs/dbraw/zinc/11/44/69/587114469.db2.gz RKKLMOMUVUQZTJ-SECBINFHSA-N 2 2 235.287 0.489 20 0 BCADLP C[N@H+]1CC[C@H](CC(=O)Nc2cc[nH+]cc2O)C1 ZINC000821378741 587114470 /nfs/dbraw/zinc/11/44/70/587114470.db2.gz RKKLMOMUVUQZTJ-SECBINFHSA-N 2 2 235.287 0.489 20 0 BCADLP Cn1c[nH+]cc1Cc1noc(C[C@@H]2CC[NH2+]C2)n1 ZINC000822891147 587191629 /nfs/dbraw/zinc/19/16/29/587191629.db2.gz GWZFOULDSHPZBP-VIFPVBQESA-N 2 2 247.302 0.546 20 0 BCADLP Cn1c[nH+]cc1Cc1noc(CC2(C[NH3+])CC2)n1 ZINC000822891210 587191646 /nfs/dbraw/zinc/19/16/46/587191646.db2.gz IMWBZWFBOWLEII-UHFFFAOYSA-N 2 2 247.302 0.675 20 0 BCADLP CCC[N@@H+](C)Cc1nc(N2CC[NH2+]CC2)no1 ZINC000823304071 587214700 /nfs/dbraw/zinc/21/47/00/587214700.db2.gz GVLKJCXVKDSQMY-UHFFFAOYSA-N 2 2 239.323 0.321 20 0 BCADLP CC[NH+](CC)Cc1nc(N2CC[NH2+]CC2)no1 ZINC000823304328 587214826 /nfs/dbraw/zinc/21/48/26/587214826.db2.gz RGJKTAIUHQECNK-UHFFFAOYSA-N 2 2 239.323 0.321 20 0 BCADLP C[C@H]1C[NH+]=C(NC(=O)C2(C[NH+](C)C)CC2)S1 ZINC000823806571 587241092 /nfs/dbraw/zinc/24/10/92/587241092.db2.gz CULFZMOXUFCHDS-QMMMGPOBSA-N 2 2 241.360 0.936 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)n1C ZINC000825629491 587328112 /nfs/dbraw/zinc/32/81/12/587328112.db2.gz XQKNVOMBVQMOET-CMPLNLGQSA-N 2 2 221.304 0.543 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)n1C ZINC000825629491 587328114 /nfs/dbraw/zinc/32/81/14/587328114.db2.gz XQKNVOMBVQMOET-CMPLNLGQSA-N 2 2 221.304 0.543 20 0 BCADLP CC[N@@H+]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000826901941 587364942 /nfs/dbraw/zinc/36/49/42/587364942.db2.gz FDOOFTVAKRKOIY-UHFFFAOYSA-N 2 2 236.319 0.506 20 0 BCADLP CC[N@H+]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000826901941 587364943 /nfs/dbraw/zinc/36/49/43/587364943.db2.gz FDOOFTVAKRKOIY-UHFFFAOYSA-N 2 2 236.319 0.506 20 0 BCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC000827256038 587374076 /nfs/dbraw/zinc/37/40/76/587374076.db2.gz VJICTANVUJYXIV-VXGBXAGGSA-N 2 2 248.330 0.436 20 0 BCADLP C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC000827256038 587374077 /nfs/dbraw/zinc/37/40/77/587374077.db2.gz VJICTANVUJYXIV-VXGBXAGGSA-N 2 2 248.330 0.436 20 0 BCADLP C[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC000827256037 587374143 /nfs/dbraw/zinc/37/41/43/587374143.db2.gz VJICTANVUJYXIV-RYUDHWBXSA-N 2 2 248.330 0.436 20 0 BCADLP C[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC000827256037 587374144 /nfs/dbraw/zinc/37/41/44/587374144.db2.gz VJICTANVUJYXIV-RYUDHWBXSA-N 2 2 248.330 0.436 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@H+](CC[S@](C)=O)C1 ZINC000827919980 587409847 /nfs/dbraw/zinc/40/98/47/587409847.db2.gz RWNASUIBAJGPBJ-HZMBPMFUSA-N 2 2 218.366 0.248 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC[S@](C)=O)C1 ZINC000827919980 587409848 /nfs/dbraw/zinc/40/98/48/587409848.db2.gz RWNASUIBAJGPBJ-HZMBPMFUSA-N 2 2 218.366 0.248 20 0 BCADLP C[C@@H]1[C@@H](NC(=O)/C=C/c2cn(C)c[nH+]2)CC[N@@H+]1C ZINC000830111163 587536200 /nfs/dbraw/zinc/53/62/00/587536200.db2.gz LWWUBNXOOQGEJG-PRANIUCASA-N 2 2 248.330 0.642 20 0 BCADLP C[C@@H]1[C@@H](NC(=O)/C=C/c2cn(C)c[nH+]2)CC[N@H+]1C ZINC000830111163 587536202 /nfs/dbraw/zinc/53/62/02/587536202.db2.gz LWWUBNXOOQGEJG-PRANIUCASA-N 2 2 248.330 0.642 20 0 BCADLP C[N@@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000830136286 587538426 /nfs/dbraw/zinc/53/84/26/587538426.db2.gz WDKPNRSMWNOZJH-JTQLQIEISA-N 2 2 244.298 0.997 20 0 BCADLP C[N@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000830136286 587538428 /nfs/dbraw/zinc/53/84/28/587538428.db2.gz WDKPNRSMWNOZJH-JTQLQIEISA-N 2 2 244.298 0.997 20 0 BCADLP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000832139783 587646388 /nfs/dbraw/zinc/64/63/88/587646388.db2.gz DXPZFJRPLMYEIZ-VHSXEESVSA-N 2 2 236.319 0.929 20 0 BCADLP C[N@@H+]1CCN(C(=O)C=C2CCCC2)[C@@H](C[NH3+])C1 ZINC000834298982 587750827 /nfs/dbraw/zinc/75/08/27/587750827.db2.gz FZUOZSOIIYDXNO-LBPRGKRZSA-N 2 2 237.347 0.588 20 0 BCADLP C[N@H+]1CCN(C(=O)C=C2CCCC2)[C@@H](C[NH3+])C1 ZINC000834298982 587750828 /nfs/dbraw/zinc/75/08/28/587750828.db2.gz FZUOZSOIIYDXNO-LBPRGKRZSA-N 2 2 237.347 0.588 20 0 BCADLP C[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000834618871 587761290 /nfs/dbraw/zinc/76/12/90/587761290.db2.gz ZCURSTQILILWAG-WKEGUHRASA-N 2 2 243.257 0.428 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC000837545681 587880981 /nfs/dbraw/zinc/88/09/81/587880981.db2.gz NOKVHFVNUHAUIF-UHFFFAOYSA-N 2 2 239.363 0.680 20 0 BCADLP C[C@@H](C[NH3+])NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000841120343 587946978 /nfs/dbraw/zinc/94/69/78/587946978.db2.gz GDYIUPZPKHXBDE-QMMMGPOBSA-N 2 2 233.275 0.803 20 0 BCADLP CCS(=O)(=O)CC[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000842476164 588029864 /nfs/dbraw/zinc/02/98/64/588029864.db2.gz IJHFKZADYUGDMJ-HBNTYKKESA-N 2 2 248.392 0.397 20 0 BCADLP Cn1c[nH+]cc1Cc1noc(CCCC[NH3+])n1 ZINC000843199958 588092975 /nfs/dbraw/zinc/09/29/75/588092975.db2.gz KITPKCYIFUMYCQ-UHFFFAOYSA-N 2 2 235.291 0.675 20 0 BCADLP Cn1c[nH+]cc1Cc1noc([C@]2(C)CC[NH2+]C2)n1 ZINC000843199919 588093078 /nfs/dbraw/zinc/09/30/78/588093078.db2.gz JXZSFSGXABKSBS-GFCCVEGCSA-N 2 2 247.302 0.645 20 0 BCADLP CCCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000843348596 588102265 /nfs/dbraw/zinc/10/22/65/588102265.db2.gz SGTJWRYDNRBUDW-UWVGGRQHSA-N 2 2 214.309 0.609 20 0 BCADLP CCCOC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000843348596 588102266 /nfs/dbraw/zinc/10/22/66/588102266.db2.gz SGTJWRYDNRBUDW-UWVGGRQHSA-N 2 2 214.309 0.609 20 0 BCADLP CCCOC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000843353739 588102305 /nfs/dbraw/zinc/10/23/05/588102305.db2.gz OHIBCOWVCAHFKX-OUAUKWLOSA-N 2 2 228.336 0.997 20 0 BCADLP CCCOC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000843353739 588102307 /nfs/dbraw/zinc/10/23/07/588102307.db2.gz OHIBCOWVCAHFKX-OUAUKWLOSA-N 2 2 228.336 0.997 20 0 BCADLP CCCOC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000843363105 588104304 /nfs/dbraw/zinc/10/43/04/588104304.db2.gz ZHYBLXLHIPDTAS-DCAQKATOSA-N 2 2 228.336 0.997 20 0 BCADLP CCCOC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000843363105 588104305 /nfs/dbraw/zinc/10/43/05/588104305.db2.gz ZHYBLXLHIPDTAS-DCAQKATOSA-N 2 2 228.336 0.997 20 0 BCADLP CCN(OC)C(=O)C[NH2+]C1CC[NH+](CC)CC1 ZINC000843429996 588108634 /nfs/dbraw/zinc/10/86/34/588108634.db2.gz FPXGSDWIKMLCHP-UHFFFAOYSA-N 2 2 243.351 0.470 20 0 BCADLP CC[C@H]([NH3+])C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000843495804 588115553 /nfs/dbraw/zinc/11/55/53/588115553.db2.gz VXXKQJLRUSTVME-DTWKUNHWSA-N 2 2 222.292 0.811 20 0 BCADLP C[C@H]([NH3+])C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000844168078 588171413 /nfs/dbraw/zinc/17/14/13/588171413.db2.gz JBPOXGPVSFNHCO-VIFPVBQESA-N 2 2 245.286 0.231 20 0 BCADLP [NH3+]CCC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000844168348 588171448 /nfs/dbraw/zinc/17/14/48/588171448.db2.gz VOXBXVOORRTSIR-UHFFFAOYSA-N 2 2 245.286 0.232 20 0 BCADLP CN(CC[NH3+])Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000844226617 588174443 /nfs/dbraw/zinc/17/44/43/588174443.db2.gz PQGYCLDFVNNAQU-UHFFFAOYSA-N 2 2 231.303 0.658 20 0 BCADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)(C)C1 ZINC000846670474 588281841 /nfs/dbraw/zinc/28/18/41/588281841.db2.gz CNYLNPOQKLOXKF-WDEREUQCSA-N 2 2 241.379 0.912 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC[S@@](C)=O)C1 ZINC000846838621 588292185 /nfs/dbraw/zinc/29/21/85/588292185.db2.gz QNUIIYGBNPVEMI-MGPLVRAMSA-N 2 2 241.360 0.588 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC[S@@](C)=O)C1 ZINC000846838621 588292186 /nfs/dbraw/zinc/29/21/86/588292186.db2.gz QNUIIYGBNPVEMI-MGPLVRAMSA-N 2 2 241.360 0.588 20 0 BCADLP [O-]C1=C[NH+]=C(N[NH2+]CCCn2cc[nH+]c2)C1 ZINC000848418008 588382620 /nfs/dbraw/zinc/38/26/20/588382620.db2.gz IBZUUECJFFPSFZ-UHFFFAOYSA-N 2 2 221.264 0.221 20 0 BCADLP Cc1ccc(C[NH2+]C2CC([NH+](C)C)C2)nn1 ZINC000848559372 588397265 /nfs/dbraw/zinc/39/72/65/588397265.db2.gz ZHNBRIHGMFJITD-UHFFFAOYSA-N 2 2 220.320 0.967 20 0 BCADLP CN(C(=[NH2+])NCC[NH+]1CCSCC1)C1CC1 ZINC000849005878 588432429 /nfs/dbraw/zinc/43/24/29/588432429.db2.gz VHNXWSADRWVRHN-UHFFFAOYSA-N 2 2 242.392 0.654 20 0 BCADLP CCCNC(=[NH2+])NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000849037459 588445759 /nfs/dbraw/zinc/44/57/59/588445759.db2.gz HOKWKIBXDOFQCP-PHIMTYICSA-N 2 2 240.351 0.374 20 0 BCADLP CCCNC(=[NH2+])NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000849037459 588445761 /nfs/dbraw/zinc/44/57/61/588445761.db2.gz HOKWKIBXDOFQCP-PHIMTYICSA-N 2 2 240.351 0.374 20 0 BCADLP CC[C@@H](C)NC(=[NH2+])NCCc1cn(C)c[nH+]1 ZINC000849040505 588447685 /nfs/dbraw/zinc/44/76/85/588447685.db2.gz ZFVNNNWBSZOTPA-SECBINFHSA-N 2 2 223.324 0.875 20 0 BCADLP CNC(=[NH2+])NCCc1cn2c(cccc2C)[nH+]1 ZINC000849047458 588450651 /nfs/dbraw/zinc/45/06/51/588450651.db2.gz XALDKAORTHDLLI-UHFFFAOYSA-N 2 2 231.303 0.929 20 0 BCADLP C[C@@H](CNC(=[NH2+])N(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849048767 588451077 /nfs/dbraw/zinc/45/10/77/588451077.db2.gz KNGOHPNJUGJLGD-GARJFASQSA-N 2 2 242.367 0.570 20 0 BCADLP C[C@@H](CNC(=[NH2+])N(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849048767 588451078 /nfs/dbraw/zinc/45/10/78/588451078.db2.gz KNGOHPNJUGJLGD-GARJFASQSA-N 2 2 242.367 0.570 20 0 BCADLP C[C@@H](C[NH3+])[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000849350713 588474827 /nfs/dbraw/zinc/47/48/27/588474827.db2.gz SKAIMWHPFOPFCY-JTQLQIEISA-N 3 2 219.332 0.769 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@](C)(CO)C2CC2)n1C ZINC000850180661 588524601 /nfs/dbraw/zinc/52/46/01/588524601.db2.gz BOUDRLAJIGAYRU-GFCCVEGCSA-N 2 2 223.320 0.979 20 0 BCADLP COC(=O)N(C)CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000850390281 588543204 /nfs/dbraw/zinc/54/32/04/588543204.db2.gz TUFSQHKZMUQRSA-ZJUUUORDSA-N 2 2 229.324 0.224 20 0 BCADLP COC(=O)N(C)CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000850390281 588543205 /nfs/dbraw/zinc/54/32/05/588543205.db2.gz TUFSQHKZMUQRSA-ZJUUUORDSA-N 2 2 229.324 0.224 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850460633 588548105 /nfs/dbraw/zinc/54/81/05/588548105.db2.gz ANAGYEJFNMIBBT-LBPRGKRZSA-N 2 2 242.363 0.602 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850460633 588548106 /nfs/dbraw/zinc/54/81/06/588548106.db2.gz ANAGYEJFNMIBBT-LBPRGKRZSA-N 2 2 242.363 0.602 20 0 BCADLP CON(C)CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000850479664 588550380 /nfs/dbraw/zinc/55/03/80/588550380.db2.gz AXFAHZNUQAXCGZ-MNOVXSKESA-N 2 2 227.352 0.694 20 0 BCADLP CON(C)CC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000850479664 588550382 /nfs/dbraw/zinc/55/03/82/588550382.db2.gz AXFAHZNUQAXCGZ-MNOVXSKESA-N 2 2 227.352 0.694 20 0 BCADLP CON(C)CC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000850479665 588550421 /nfs/dbraw/zinc/55/04/21/588550421.db2.gz AXFAHZNUQAXCGZ-QWRGUYRKSA-N 2 2 227.352 0.694 20 0 BCADLP CON(C)CC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000850479665 588550423 /nfs/dbraw/zinc/55/04/23/588550423.db2.gz AXFAHZNUQAXCGZ-QWRGUYRKSA-N 2 2 227.352 0.694 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@H]2CCC(=O)O2)C1 ZINC000851868826 588637120 /nfs/dbraw/zinc/63/71/20/588637120.db2.gz VRVVQUIHPBOYIE-MNOVXSKESA-N 2 2 249.314 0.915 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H]2CCC(=O)O2)C1 ZINC000851868826 588637121 /nfs/dbraw/zinc/63/71/21/588637121.db2.gz VRVVQUIHPBOYIE-MNOVXSKESA-N 2 2 249.314 0.915 20 0 BCADLP CON(C)C(=O)CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000852065043 588658951 /nfs/dbraw/zinc/65/89/51/588658951.db2.gz HLXFTTNDCPJAMK-UHFFFAOYSA-N 2 2 238.291 0.109 20 0 BCADLP CON(C)C(=O)CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000852065043 588658952 /nfs/dbraw/zinc/65/89/52/588658952.db2.gz HLXFTTNDCPJAMK-UHFFFAOYSA-N 2 2 238.291 0.109 20 0 BCADLP COCC1([NH2+]CC[NH+]2CCCC2)CCOCC1 ZINC000852088408 588661063 /nfs/dbraw/zinc/66/10/63/588661063.db2.gz AATCYFKKNPAOSN-UHFFFAOYSA-N 2 2 242.363 0.867 20 0 BCADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CCc3c[nH]nn3)C2)C1 ZINC000852092400 588661570 /nfs/dbraw/zinc/66/15/70/588661570.db2.gz UHXIHVXMBCJUGN-CYBMUJFWSA-N 2 2 249.362 0.765 20 0 BCADLP C[N@H+]1CCC[C@@]2(CC[NH+](CCc3c[nH]nn3)C2)C1 ZINC000852092400 588661571 /nfs/dbraw/zinc/66/15/71/588661571.db2.gz UHXIHVXMBCJUGN-CYBMUJFWSA-N 2 2 249.362 0.765 20 0 BCADLP C[NH+]1CCC[C@@]2(CC[N@H+](CCc3c[nH]nn3)C2)C1 ZINC000852092400 588661572 /nfs/dbraw/zinc/66/15/72/588661572.db2.gz UHXIHVXMBCJUGN-CYBMUJFWSA-N 2 2 249.362 0.765 20 0 BCADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CCc3c[nH]nn3)C2)C1 ZINC000852092400 588661573 /nfs/dbraw/zinc/66/15/73/588661573.db2.gz UHXIHVXMBCJUGN-CYBMUJFWSA-N 2 2 249.362 0.765 20 0 BCADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CCc3cn[nH]n3)C2)C1 ZINC000852092400 588661574 /nfs/dbraw/zinc/66/15/74/588661574.db2.gz UHXIHVXMBCJUGN-CYBMUJFWSA-N 2 2 249.362 0.765 20 0 BCADLP C[N@H+]1CCC[C@@]2(CC[NH+](CCc3cn[nH]n3)C2)C1 ZINC000852092400 588661575 /nfs/dbraw/zinc/66/15/75/588661575.db2.gz UHXIHVXMBCJUGN-CYBMUJFWSA-N 2 2 249.362 0.765 20 0 BCADLP C[NH+]1CCC[C@@]2(CC[N@H+](CCc3cn[nH]n3)C2)C1 ZINC000852092400 588661576 /nfs/dbraw/zinc/66/15/76/588661576.db2.gz UHXIHVXMBCJUGN-CYBMUJFWSA-N 2 2 249.362 0.765 20 0 BCADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CCc3cn[nH]n3)C2)C1 ZINC000852092400 588661577 /nfs/dbraw/zinc/66/15/77/588661577.db2.gz UHXIHVXMBCJUGN-CYBMUJFWSA-N 2 2 249.362 0.765 20 0 BCADLP CO[C@H](C[N@H+](CC[NH3+])CCO)C1CCCCC1 ZINC000852746420 588699058 /nfs/dbraw/zinc/69/90/58/588699058.db2.gz LAGQHKGDAOJEKB-CYBMUJFWSA-N 2 2 244.379 0.835 20 0 BCADLP CO[C@H](C[N@@H+](CC[NH3+])CCO)C1CCCCC1 ZINC000852746420 588699059 /nfs/dbraw/zinc/69/90/59/588699059.db2.gz LAGQHKGDAOJEKB-CYBMUJFWSA-N 2 2 244.379 0.835 20 0 BCADLP CO[C@@H](C[N@H+](CC[NH3+])CCO)C1CCC1 ZINC000852746672 588699097 /nfs/dbraw/zinc/69/90/97/588699097.db2.gz NZPQAYNABVFPTC-NSHDSACASA-N 2 2 216.325 0.055 20 0 BCADLP CO[C@@H](C[N@@H+](CC[NH3+])CCO)C1CCC1 ZINC000852746672 588699098 /nfs/dbraw/zinc/69/90/98/588699098.db2.gz NZPQAYNABVFPTC-NSHDSACASA-N 2 2 216.325 0.055 20 0 BCADLP C[N@H+](CCOC(F)F)[C@H](C[NH3+])C1CC1 ZINC000852750094 588700111 /nfs/dbraw/zinc/70/01/11/588700111.db2.gz WCNBNZPDLQCNKU-MRVPVSSYSA-N 2 2 208.252 0.895 20 0 BCADLP C[N@@H+](CCOC(F)F)[C@H](C[NH3+])C1CC1 ZINC000852750094 588700112 /nfs/dbraw/zinc/70/01/12/588700112.db2.gz WCNBNZPDLQCNKU-MRVPVSSYSA-N 2 2 208.252 0.895 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](CCOC(F)F)CCCO1 ZINC000852751365 588700371 /nfs/dbraw/zinc/70/03/71/588700371.db2.gz ZJOJDKTUPLQJGE-MRVPVSSYSA-N 2 2 224.251 0.275 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](CCOC(F)F)CCCO1 ZINC000852751365 588700372 /nfs/dbraw/zinc/70/03/72/588700372.db2.gz ZJOJDKTUPLQJGE-MRVPVSSYSA-N 2 2 224.251 0.275 20 0 BCADLP C[C@H]([NH2+]C1CC1)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000852836725 588707179 /nfs/dbraw/zinc/70/71/79/588707179.db2.gz HZZBLXGDLNCZQY-QMMMGPOBSA-N 2 2 222.292 0.509 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1C=CCC1 ZINC000852847876 588707895 /nfs/dbraw/zinc/70/78/95/588707895.db2.gz WEOYWUVQCJVAJW-ZJUUUORDSA-N 2 2 211.309 0.100 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000861635647 589171592 /nfs/dbraw/zinc/17/15/92/589171592.db2.gz QBHHUARKXKVZQZ-IVZWLZJFSA-N 2 2 249.318 0.378 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)n1C ZINC000862546742 589219877 /nfs/dbraw/zinc/21/98/77/589219877.db2.gz QTUGNLUACMAYEP-MWLCHTKSSA-N 2 2 235.287 0.333 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)n1C ZINC000862546742 589219878 /nfs/dbraw/zinc/21/98/78/589219878.db2.gz QTUGNLUACMAYEP-MWLCHTKSSA-N 2 2 235.287 0.333 20 0 BCADLP CCn1nnc(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000863540944 589296584 /nfs/dbraw/zinc/29/65/84/589296584.db2.gz WFGDZXWKGOJJHX-NSHDSACASA-N 2 2 237.351 0.777 20 0 BCADLP CCn1nnc(C)c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000863540944 589296586 /nfs/dbraw/zinc/29/65/86/589296586.db2.gz WFGDZXWKGOJJHX-NSHDSACASA-N 2 2 237.351 0.777 20 0 BCADLP CCO[C@@H](C[N@H+](C)CC[NH2+]C)C1CC1 ZINC000863544956 589297924 /nfs/dbraw/zinc/29/79/24/589297924.db2.gz FFFLMXAWLZDXRI-NSHDSACASA-N 2 2 200.326 0.953 20 0 BCADLP CCO[C@@H](C[N@@H+](C)CC[NH2+]C)C1CC1 ZINC000863544956 589297926 /nfs/dbraw/zinc/29/79/26/589297926.db2.gz FFFLMXAWLZDXRI-NSHDSACASA-N 2 2 200.326 0.953 20 0 BCADLP CCN(C)C(=O)CC[N@H+](C)C[C@@H](C)[NH3+] ZINC000863567025 589299403 /nfs/dbraw/zinc/29/94/03/589299403.db2.gz AXDBXPKKRQQRML-SECBINFHSA-N 2 2 201.314 0.134 20 0 BCADLP CCN(C)C(=O)CC[N@@H+](C)C[C@@H](C)[NH3+] ZINC000863567025 589299405 /nfs/dbraw/zinc/29/94/05/589299405.db2.gz AXDBXPKKRQQRML-SECBINFHSA-N 2 2 201.314 0.134 20 0 BCADLP CNC(=O)c1cccc(C[N@H+](C)C[C@H](C)[NH3+])c1 ZINC000863567557 589299921 /nfs/dbraw/zinc/29/99/21/589299921.db2.gz DPXGYMQYMCBVOW-JTQLQIEISA-N 2 2 235.331 0.825 20 0 BCADLP CNC(=O)c1cccc(C[N@@H+](C)C[C@H](C)[NH3+])c1 ZINC000863567557 589299922 /nfs/dbraw/zinc/29/99/22/589299922.db2.gz DPXGYMQYMCBVOW-JTQLQIEISA-N 2 2 235.331 0.825 20 0 BCADLP CCCCNC(=O)CC[N@H+](C)C[C@@H](C)[NH3+] ZINC000863570219 589300454 /nfs/dbraw/zinc/30/04/54/589300454.db2.gz SYNOXNVBSLBCNU-SNVBAGLBSA-N 2 2 215.341 0.572 20 0 BCADLP CCCCNC(=O)CC[N@@H+](C)C[C@@H](C)[NH3+] ZINC000863570219 589300456 /nfs/dbraw/zinc/30/04/56/589300456.db2.gz SYNOXNVBSLBCNU-SNVBAGLBSA-N 2 2 215.341 0.572 20 0 BCADLP COC(=O)C(C)(C)CC[N@H+](C)C[C@@H](C)[NH3+] ZINC000863651312 589307458 /nfs/dbraw/zinc/30/74/58/589307458.db2.gz GGQALWQDEPYHRI-SECBINFHSA-N 2 2 216.325 0.855 20 0 BCADLP COC(=O)C(C)(C)CC[N@@H+](C)C[C@@H](C)[NH3+] ZINC000863651312 589307460 /nfs/dbraw/zinc/30/74/60/589307460.db2.gz GGQALWQDEPYHRI-SECBINFHSA-N 2 2 216.325 0.855 20 0 BCADLP C[N@H+](CC(=O)N[C@@H]1CCn2cc[nH+]c21)C1CCC1 ZINC000863920683 589326328 /nfs/dbraw/zinc/32/63/28/589326328.db2.gz VNIPLMVPROIUJH-LLVKDONJSA-N 2 2 248.330 0.928 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H]2C(=O)NCC2(C)C)n1C ZINC000864052505 589334722 /nfs/dbraw/zinc/33/47/22/589334722.db2.gz MWWPIUHXMGZTTG-JTQLQIEISA-N 2 2 236.319 0.343 20 0 BCADLP C[C@H]1C[C@H]1NC(=[NH2+])NCC[NH+]1CCSCC1 ZINC000864458780 589368515 /nfs/dbraw/zinc/36/85/15/589368515.db2.gz SIBYPPWUMVYQKC-VHSXEESVSA-N 2 2 242.392 0.558 20 0 BCADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]Cc2cn[nH]c2)C1 ZINC000865655733 589454551 /nfs/dbraw/zinc/45/45/51/589454551.db2.gz LWRUHYDWFRBXGF-NSHDSACASA-N 2 2 238.335 0.345 20 0 BCADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]Cc2cn[nH]c2)C1 ZINC000865655733 589454552 /nfs/dbraw/zinc/45/45/52/589454552.db2.gz LWRUHYDWFRBXGF-NSHDSACASA-N 2 2 238.335 0.345 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000865693104 589456347 /nfs/dbraw/zinc/45/63/47/589456347.db2.gz FUCZOQINVYYLHL-VTAXGKEESA-N 2 2 236.359 0.950 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000865693104 589456348 /nfs/dbraw/zinc/45/63/48/589456348.db2.gz FUCZOQINVYYLHL-VTAXGKEESA-N 2 2 236.359 0.950 20 0 BCADLP C[N@@H+]1CCN(C(=O)/C=C/c2ccco2)[C@@H](C[NH3+])C1 ZINC000120760040 589462309 /nfs/dbraw/zinc/46/23/09/589462309.db2.gz JIQZTTUEMWNDHC-ZWNMCFTASA-N 2 2 249.314 0.394 20 0 BCADLP C[N@H+]1CCN(C(=O)/C=C/c2ccco2)[C@@H](C[NH3+])C1 ZINC000120760040 589462310 /nfs/dbraw/zinc/46/23/10/589462310.db2.gz JIQZTTUEMWNDHC-ZWNMCFTASA-N 2 2 249.314 0.394 20 0 BCADLP Cn1c[nH+]cc1CNc1cc2n(n1)CC[N@H+](C)C2 ZINC000865844913 589464737 /nfs/dbraw/zinc/46/47/37/589464737.db2.gz UDLNUIJVVSGLIN-UHFFFAOYSA-N 2 2 246.318 0.674 20 0 BCADLP Cn1c[nH+]cc1CNc1cc2n(n1)CC[N@@H+](C)C2 ZINC000865844913 589464738 /nfs/dbraw/zinc/46/47/38/589464738.db2.gz UDLNUIJVVSGLIN-UHFFFAOYSA-N 2 2 246.318 0.674 20 0 BCADLP Cc1cccnc1NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000866660748 589507826 /nfs/dbraw/zinc/50/78/26/589507826.db2.gz KUSQFDCELCIFPG-UHFFFAOYSA-N 2 2 248.330 0.800 20 0 BCADLP Cc1cccnc1NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000866659863 589508023 /nfs/dbraw/zinc/50/80/23/589508023.db2.gz WDWRBLOTXJCJCK-LLVKDONJSA-N 2 2 248.330 0.609 20 0 BCADLP Cc1cccnc1NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000866659863 589508025 /nfs/dbraw/zinc/50/80/25/589508025.db2.gz WDWRBLOTXJCJCK-LLVKDONJSA-N 2 2 248.330 0.609 20 0 BCADLP C[N@H+](CC[NH3+])CCc1ccc(C(N)=O)cc1 ZINC000866665257 589509420 /nfs/dbraw/zinc/50/94/20/589509420.db2.gz ATWKWJPQHAQPOS-UHFFFAOYSA-N 2 2 221.304 0.219 20 0 BCADLP C[N@@H+](CC[NH3+])CCc1ccc(C(N)=O)cc1 ZINC000866665257 589509421 /nfs/dbraw/zinc/50/94/21/589509421.db2.gz ATWKWJPQHAQPOS-UHFFFAOYSA-N 2 2 221.304 0.219 20 0 BCADLP C[C@@H]1C[N@H+](CCc2ccc(C(N)=O)cc2)C[C@H]1[NH3+] ZINC000866666227 589509747 /nfs/dbraw/zinc/50/97/47/589509747.db2.gz NLSGWVWMNXUGKJ-ZWNOBZJWSA-N 2 2 247.342 0.607 20 0 BCADLP C[C@@H]1C[N@@H+](CCc2ccc(C(N)=O)cc2)C[C@H]1[NH3+] ZINC000866666227 589509749 /nfs/dbraw/zinc/50/97/49/589509749.db2.gz NLSGWVWMNXUGKJ-ZWNOBZJWSA-N 2 2 247.342 0.607 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC000866668230 589510440 /nfs/dbraw/zinc/51/04/40/589510440.db2.gz NXQOUKXKZUINMQ-BDAKNGLRSA-N 2 2 209.297 0.044 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC000866668230 589510442 /nfs/dbraw/zinc/51/04/42/589510442.db2.gz NXQOUKXKZUINMQ-BDAKNGLRSA-N 2 2 209.297 0.044 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000866704403 589513823 /nfs/dbraw/zinc/51/38/23/589513823.db2.gz UJIAKHCBNXKUJY-TUAOUCFPSA-N 2 2 242.388 0.660 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000866704403 589513824 /nfs/dbraw/zinc/51/38/24/589513824.db2.gz UJIAKHCBNXKUJY-TUAOUCFPSA-N 2 2 242.388 0.660 20 0 BCADLP Cn1c[nH+]cc1CN1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866724827 589515746 /nfs/dbraw/zinc/51/57/46/589515746.db2.gz NEYOOXQCKAXWLS-NEPJUHHUSA-N 2 2 220.320 0.746 20 0 BCADLP C[C@H](C[NH3+])C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000867999163 589543009 /nfs/dbraw/zinc/54/30/09/589543009.db2.gz TUNDZHFZPFKUAA-ZWNOBZJWSA-N 2 2 247.342 0.884 20 0 BCADLP C[C@H](C[NH3+])C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000867999163 589543010 /nfs/dbraw/zinc/54/30/10/589543010.db2.gz TUNDZHFZPFKUAA-ZWNOBZJWSA-N 2 2 247.342 0.884 20 0 BCADLP CC[NH2+]CC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000867999018 589543054 /nfs/dbraw/zinc/54/30/54/589543054.db2.gz OUUADSZVSYEPIQ-ZDUSSCGKSA-N 2 2 247.342 0.899 20 0 BCADLP CC[NH2+]CC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000867999018 589543055 /nfs/dbraw/zinc/54/30/55/589543055.db2.gz OUUADSZVSYEPIQ-ZDUSSCGKSA-N 2 2 247.342 0.899 20 0 BCADLP C[N@@H+]1CCn2nc(NC(=O)[C@@H]3CCC[NH2+]3)cc2C1 ZINC000868036857 589545864 /nfs/dbraw/zinc/54/58/64/589545864.db2.gz KKZPYGPSPXOSQD-JTQLQIEISA-N 2 2 249.318 0.019 20 0 BCADLP C[N@H+]1CCn2nc(NC(=O)[C@@H]3CCC[NH2+]3)cc2C1 ZINC000868036857 589545866 /nfs/dbraw/zinc/54/58/66/589545866.db2.gz KKZPYGPSPXOSQD-JTQLQIEISA-N 2 2 249.318 0.019 20 0 BCADLP CN1CCN(C(=O)CC[NH3+])Cc2ccc[nH+]c21 ZINC000871019831 589713101 /nfs/dbraw/zinc/71/31/01/589713101.db2.gz DUASOQSQEZDLKJ-UHFFFAOYSA-N 2 2 234.303 0.209 20 0 BCADLP COCCN(C)C(=[NH2+])NCc1c[nH+]cn1C ZINC000871607174 589775813 /nfs/dbraw/zinc/77/58/13/589775813.db2.gz ZFTLCOZLFHTGTL-UHFFFAOYSA-N 2 2 225.296 0.023 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCC[C@H]1CCOC1=O ZINC000872118207 589875385 /nfs/dbraw/zinc/87/53/85/589875385.db2.gz VRKUFIVQIHEGSO-GRYCIOLGSA-N 2 2 240.347 0.869 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC[C@H]1CCOC1=O ZINC000872118207 589875386 /nfs/dbraw/zinc/87/53/86/589875386.db2.gz VRKUFIVQIHEGSO-GRYCIOLGSA-N 2 2 240.347 0.869 20 0 BCADLP [NH3+]CCC[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872150930 589885005 /nfs/dbraw/zinc/88/50/05/589885005.db2.gz HNRXEFZMKZGUJU-JGVFFNPUSA-N 3 2 225.258 0.404 20 0 BCADLP [NH3+]CCC[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872150930 589885007 /nfs/dbraw/zinc/88/50/07/589885007.db2.gz HNRXEFZMKZGUJU-JGVFFNPUSA-N 3 2 225.258 0.404 20 0 BCADLP [NH3+]CC[N@H+](CCO)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000872143449 589883639 /nfs/dbraw/zinc/88/36/39/589883639.db2.gz MOYWJTDKOGIOAC-SRVKXCTJSA-N 2 2 228.336 0.197 20 0 BCADLP [NH3+]CC[N@@H+](CCO)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000872143449 589883640 /nfs/dbraw/zinc/88/36/40/589883640.db2.gz MOYWJTDKOGIOAC-SRVKXCTJSA-N 2 2 228.336 0.197 20 0 BCADLP Cn1nccc1CC[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000872146048 589884110 /nfs/dbraw/zinc/88/41/10/589884110.db2.gz CSVUAJJWLLSFIC-OLZOCXBDSA-N 2 2 234.347 0.789 20 0 BCADLP Cn1nccc1CC[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000872146048 589884111 /nfs/dbraw/zinc/88/41/11/589884111.db2.gz CSVUAJJWLLSFIC-OLZOCXBDSA-N 2 2 234.347 0.789 20 0 BCADLP Cn1nccc1CC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000872146049 589884696 /nfs/dbraw/zinc/88/46/96/589884696.db2.gz CSVUAJJWLLSFIC-QWHCGFSZSA-N 2 2 234.347 0.789 20 0 BCADLP Cn1nccc1CC[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000872146049 589884697 /nfs/dbraw/zinc/88/46/97/589884697.db2.gz CSVUAJJWLLSFIC-QWHCGFSZSA-N 2 2 234.347 0.789 20 0 BCADLP C[N@H+](CCCCCC[NH3+])C[C@@H]1C[NH2+]CCO1 ZINC000872156168 589886452 /nfs/dbraw/zinc/88/64/52/589886452.db2.gz FPLDHPKENAVWTH-LBPRGKRZSA-N 3 2 229.368 0.426 20 0 BCADLP C[N@@H+](CCCCCC[NH3+])C[C@@H]1C[NH2+]CCO1 ZINC000872156168 589886454 /nfs/dbraw/zinc/88/64/54/589886454.db2.gz FPLDHPKENAVWTH-LBPRGKRZSA-N 3 2 229.368 0.426 20 0 BCADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)CC(C)(C)O)C1 ZINC000872201120 589890241 /nfs/dbraw/zinc/89/02/41/589890241.db2.gz WFLDJPXTMIBZBB-QWRGUYRKSA-N 2 2 230.352 0.192 20 0 BCADLP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)CC(C)(C)O)C1 ZINC000872201120 589890242 /nfs/dbraw/zinc/89/02/42/589890242.db2.gz WFLDJPXTMIBZBB-QWRGUYRKSA-N 2 2 230.352 0.192 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)O)C1 ZINC000872215892 589895108 /nfs/dbraw/zinc/89/51/08/589895108.db2.gz JOAMEMNUFXCWIW-VXGBXAGGSA-N 2 2 244.379 0.582 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)O)C1 ZINC000872215892 589895111 /nfs/dbraw/zinc/89/51/11/589895111.db2.gz JOAMEMNUFXCWIW-VXGBXAGGSA-N 2 2 244.379 0.582 20 0 BCADLP CC[C@@H](O)C[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000872218519 589895673 /nfs/dbraw/zinc/89/56/73/589895673.db2.gz PCQFFNAOOHJXAD-WDEREUQCSA-N 2 2 230.352 0.192 20 0 BCADLP CC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000872218519 589895675 /nfs/dbraw/zinc/89/56/75/589895675.db2.gz PCQFFNAOOHJXAD-WDEREUQCSA-N 2 2 230.352 0.192 20 0 BCADLP CC[C@H](O)C[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000872218517 589895962 /nfs/dbraw/zinc/89/59/62/589895962.db2.gz PCQFFNAOOHJXAD-QWRGUYRKSA-N 2 2 230.352 0.192 20 0 BCADLP CC[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000872218517 589895964 /nfs/dbraw/zinc/89/59/64/589895964.db2.gz PCQFFNAOOHJXAD-QWRGUYRKSA-N 2 2 230.352 0.192 20 0 BCADLP C[C@@H](C[NH2+]Cc1ccon1)N1CC[NH+](C)CC1 ZINC000873044167 589981338 /nfs/dbraw/zinc/98/13/38/589981338.db2.gz FMPFZDIMJOOIJX-NSHDSACASA-N 2 2 238.335 0.400 20 0 BCADLP CC[C@H]1C[N@H+](Cc2cnc(N)cn2)CC[C@@H]1[NH3+] ZINC000873200566 589992701 /nfs/dbraw/zinc/99/27/01/589992701.db2.gz COLLWNFIPJBSOQ-ONGXEEELSA-N 2 2 235.335 0.618 20 0 BCADLP CC[C@H]1C[N@@H+](Cc2cnc(N)cn2)CC[C@@H]1[NH3+] ZINC000873200566 589992702 /nfs/dbraw/zinc/99/27/02/589992702.db2.gz COLLWNFIPJBSOQ-ONGXEEELSA-N 2 2 235.335 0.618 20 0 BCADLP Nc1cnc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cn1 ZINC000873210201 589995040 /nfs/dbraw/zinc/99/50/40/589995040.db2.gz YTSYGQDGOJCQAW-CYBMUJFWSA-N 2 2 247.346 0.634 20 0 BCADLP Nc1cnc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cn1 ZINC000873210201 589995042 /nfs/dbraw/zinc/99/50/42/589995042.db2.gz YTSYGQDGOJCQAW-CYBMUJFWSA-N 2 2 247.346 0.634 20 0 BCADLP CC1([NH2+]Cc2cnc(N)cn2)CC[NH2+]CC1 ZINC000873212193 589995830 /nfs/dbraw/zinc/99/58/30/589995830.db2.gz JOTFNRZCRSWUJS-UHFFFAOYSA-N 2 2 221.308 0.291 20 0 BCADLP Nc1cnc(C[NH2+]CCCn2cc[nH+]c2)cn1 ZINC000873212231 589996045 /nfs/dbraw/zinc/99/60/45/589996045.db2.gz WXFLRZGMXMKAHV-UHFFFAOYSA-N 2 2 232.291 0.435 20 0 BCADLP Nc1cnc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000873211340 589996116 /nfs/dbraw/zinc/99/61/16/589996116.db2.gz YXWSUJZEVFDYBK-LBPRGKRZSA-N 2 2 233.319 0.244 20 0 BCADLP Nc1cnc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000873211340 589996117 /nfs/dbraw/zinc/99/61/17/589996117.db2.gz YXWSUJZEVFDYBK-LBPRGKRZSA-N 2 2 233.319 0.244 20 0 BCADLP Nc1cnc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cn1 ZINC000873212130 589996131 /nfs/dbraw/zinc/99/61/31/589996131.db2.gz HMVXECJTVUFLIQ-NSHDSACASA-N 2 2 235.335 0.666 20 0 BCADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(N)cn2)CC[NH2+]1 ZINC000873212505 589996187 /nfs/dbraw/zinc/99/61/87/589996187.db2.gz MQTMTJGTBSIHJZ-DTWKUNHWSA-N 2 2 221.308 0.289 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnc(N)cn1 ZINC000873214087 589997293 /nfs/dbraw/zinc/99/72/93/589997293.db2.gz XNWCGJNBHZNBAE-BDAKNGLRSA-N 2 2 221.308 0.370 20 0 BCADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cnc(N)cn1 ZINC000873213419 589997223 /nfs/dbraw/zinc/99/72/23/589997223.db2.gz YVSQBJXSBSHSOT-JTQLQIEISA-N 2 2 235.335 0.537 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnc(N)cn1 ZINC000873214087 589997295 /nfs/dbraw/zinc/99/72/95/589997295.db2.gz XNWCGJNBHZNBAE-BDAKNGLRSA-N 2 2 221.308 0.370 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccnn1C ZINC000873223290 589999675 /nfs/dbraw/zinc/99/96/75/589999675.db2.gz MRXRAIIRJSXSLT-NXEZZACHSA-N 2 2 208.309 0.823 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(CO)(CO)CC1 ZINC000873228942 590000327 /nfs/dbraw/zinc/00/03/27/590000327.db2.gz YKVHPSYIDWEHMJ-GFCCVEGCSA-N 2 2 244.379 0.427 20 0 BCADLP CC(C)C[C@H]([NH3+])C[NH+]1CCC(CO)(CO)CC1 ZINC000873228943 590000912 /nfs/dbraw/zinc/00/09/12/590000912.db2.gz YKVHPSYIDWEHMJ-LBPRGKRZSA-N 2 2 244.379 0.427 20 0 BCADLP Cn1cc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cn1 ZINC000873229432 590001577 /nfs/dbraw/zinc/00/15/77/590001577.db2.gz YRGKMKYLSVRWTR-NEPJUHHUSA-N 2 2 220.320 0.794 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873234840 590004217 /nfs/dbraw/zinc/00/42/17/590004217.db2.gz IKFGGPMOVJPXGC-UWVGGRQHSA-N 2 2 227.352 0.618 20 0 BCADLP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1nnnn1C1CC1 ZINC000873248310 590006322 /nfs/dbraw/zinc/00/63/22/590006322.db2.gz CVFRXUPJIPWCTA-HTQZYQBOSA-N 2 2 236.323 0.267 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257509 590012180 /nfs/dbraw/zinc/01/21/80/590012180.db2.gz TVWPPJKUYZSHDC-UZWSLXQKSA-N 3 2 223.364 0.796 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257509 590012182 /nfs/dbraw/zinc/01/21/82/590012182.db2.gz TVWPPJKUYZSHDC-UZWSLXQKSA-N 3 2 223.364 0.796 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000873281800 590018778 /nfs/dbraw/zinc/01/87/78/590018778.db2.gz BTPRQNWPKLZTHK-NXEZZACHSA-N 2 2 213.325 0.324 20 0 BCADLP Cc1nonc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000873295389 590024060 /nfs/dbraw/zinc/02/40/60/590024060.db2.gz HGDHFHGYFUVVTR-ZJUUUORDSA-N 2 2 224.308 0.985 20 0 BCADLP Cc1nonc1C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000873296065 590024136 /nfs/dbraw/zinc/02/41/36/590024136.db2.gz UXKWGXXIYRXUQD-SCZZXKLOSA-N 2 2 240.307 0.235 20 0 BCADLP C[N@@H+]1CC[C@@H](CC(=O)NC2=[NH+]CCS2)C1 ZINC000873837779 590074016 /nfs/dbraw/zinc/07/40/16/590074016.db2.gz GLSFFIXTHYMVFG-QMMMGPOBSA-N 2 2 227.333 0.547 20 0 BCADLP C[N@H+]1CC[C@@H](CC(=O)NC2=[NH+]CCS2)C1 ZINC000873837779 590074018 /nfs/dbraw/zinc/07/40/18/590074018.db2.gz GLSFFIXTHYMVFG-QMMMGPOBSA-N 2 2 227.333 0.547 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[NH+]1CCCC1 ZINC000874049308 590087413 /nfs/dbraw/zinc/08/74/13/590087413.db2.gz HMKLXDXZARDOEE-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000876523166 590207936 /nfs/dbraw/zinc/20/79/36/590207936.db2.gz NCWCWIUQBRHTHP-BDAKNGLRSA-N 2 2 234.303 0.976 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876753431 590237870 /nfs/dbraw/zinc/23/78/70/590237870.db2.gz KUQCFMBVBLMNFB-WYGGZMRJSA-N 2 2 248.330 0.592 20 0 BCADLP O=C(/C=C\[C@H]1CCC[NH2+]C1)NCc1[nH]cc[nH+]1 ZINC000876763036 590238485 /nfs/dbraw/zinc/23/84/85/590238485.db2.gz CMGNLKRJXFZLRB-UMBAGQNISA-N 2 2 234.303 0.582 20 0 BCADLP O=C(C=C[C@H]1CCC[NH2+]C1)NCc1[nH]cc[nH+]1 ZINC000876763036 590238487 /nfs/dbraw/zinc/23/84/87/590238487.db2.gz CMGNLKRJXFZLRB-UMBAGQNISA-N 2 2 234.303 0.582 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876778505 590240402 /nfs/dbraw/zinc/24/04/02/590240402.db2.gz GYSRZJOMPJBFGT-WCBMZHEXSA-N 2 2 236.319 0.708 20 0 BCADLP CCc1c[nH]c(CC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[nH+]1 ZINC000876869739 590251610 /nfs/dbraw/zinc/25/16/10/590251610.db2.gz CPWVFXXDVJOOMX-KOLCDFICSA-N 2 2 248.330 0.335 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876956284 590260790 /nfs/dbraw/zinc/26/07/90/590260790.db2.gz ITJHNGIIQWGKIJ-WYGGZMRJSA-N 2 2 248.330 0.924 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876956284 590260791 /nfs/dbraw/zinc/26/07/91/590260791.db2.gz ITJHNGIIQWGKIJ-WYGGZMRJSA-N 2 2 248.330 0.924 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876956919 590261138 /nfs/dbraw/zinc/26/11/38/590261138.db2.gz RMAYJESOMAPTPB-ZJUUUORDSA-N 2 2 236.319 0.742 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876956919 590261139 /nfs/dbraw/zinc/26/11/39/590261139.db2.gz RMAYJESOMAPTPB-ZJUUUORDSA-N 2 2 236.319 0.742 20 0 BCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000877020180 590269848 /nfs/dbraw/zinc/26/98/48/590269848.db2.gz YWHJPTYAEPHFOQ-GRYCIOLGSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000877020180 590269850 /nfs/dbraw/zinc/26/98/50/590269850.db2.gz YWHJPTYAEPHFOQ-GRYCIOLGSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@H](CC(=O)N(C)C[C@H](C)[NH3+])n1cc[nH+]c1 ZINC000877105944 590285072 /nfs/dbraw/zinc/28/50/72/590285072.db2.gz TXUJOBBKHXWCSQ-VHSXEESVSA-N 2 2 224.308 0.640 20 0 BCADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000877154579 590293095 /nfs/dbraw/zinc/29/30/95/590293095.db2.gz UCIAWCRZOUIKCW-NWDGAFQWSA-N 2 2 239.363 0.729 20 0 BCADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000877154579 590293096 /nfs/dbraw/zinc/29/30/96/590293096.db2.gz UCIAWCRZOUIKCW-NWDGAFQWSA-N 2 2 239.363 0.729 20 0 BCADLP CCON(C)C(=O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000877611856 590372575 /nfs/dbraw/zinc/37/25/75/590372575.db2.gz CFCOOHVGDSRDGM-MNOVXSKESA-N 2 2 243.351 0.469 20 0 BCADLP CCON(C)C(=O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000877611856 590372577 /nfs/dbraw/zinc/37/25/77/590372577.db2.gz CFCOOHVGDSRDGM-MNOVXSKESA-N 2 2 243.351 0.469 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877741312 590408866 /nfs/dbraw/zinc/40/88/66/590408866.db2.gz ANVFUEVNMQGKFY-AAEUAGOBSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877741312 590408869 /nfs/dbraw/zinc/40/88/69/590408869.db2.gz ANVFUEVNMQGKFY-AAEUAGOBSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877744281 590410414 /nfs/dbraw/zinc/41/04/14/590410414.db2.gz RBETVYANIJKMRI-NWDGAFQWSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877744281 590410415 /nfs/dbraw/zinc/41/04/15/590410415.db2.gz RBETVYANIJKMRI-NWDGAFQWSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1nccc1C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877744058 590411159 /nfs/dbraw/zinc/41/11/59/590411159.db2.gz OJHBJEAONIKEPV-AAEUAGOBSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1nccc1C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877744058 590411162 /nfs/dbraw/zinc/41/11/62/590411162.db2.gz OJHBJEAONIKEPV-AAEUAGOBSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1nccc1C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877744058 590411164 /nfs/dbraw/zinc/41/11/64/590411164.db2.gz OJHBJEAONIKEPV-AAEUAGOBSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1nccc1C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877744058 590411166 /nfs/dbraw/zinc/41/11/66/590411166.db2.gz OJHBJEAONIKEPV-AAEUAGOBSA-N 2 2 234.347 0.946 20 0 BCADLP C[C@@H]1C[C@@H]([NH+](C)CCn2cnnn2)CC[N@@H+]1C ZINC000878162160 590512019 /nfs/dbraw/zinc/51/20/19/590512019.db2.gz BTMQCFJGVFACGC-MNOVXSKESA-N 2 2 238.339 0.088 20 0 BCADLP C[C@@H]1C[C@@H]([NH+](C)CCn2cnnn2)CC[N@H+]1C ZINC000878162160 590512020 /nfs/dbraw/zinc/51/20/20/590512020.db2.gz BTMQCFJGVFACGC-MNOVXSKESA-N 2 2 238.339 0.088 20 0 BCADLP C[C@@H]1C[C@@H]([N@H+](C)CCn2cnnn2)CC[NH+]1C ZINC000878162160 590512021 /nfs/dbraw/zinc/51/20/21/590512021.db2.gz BTMQCFJGVFACGC-MNOVXSKESA-N 2 2 238.339 0.088 20 0 BCADLP C[C@@H]1C[C@@H]([N@@H+](C)CCn2cnnn2)CC[NH+]1C ZINC000878162160 590512022 /nfs/dbraw/zinc/51/20/22/590512022.db2.gz BTMQCFJGVFACGC-MNOVXSKESA-N 2 2 238.339 0.088 20 0 BCADLP OCC1([NH2+]Cc2c[nH+]c[nH]2)CCSCC1 ZINC000878702356 590611763 /nfs/dbraw/zinc/61/17/63/590611763.db2.gz KNXBAYXPFDZGFO-UHFFFAOYSA-N 2 2 227.333 0.757 20 0 BCADLP C[N@@H+]1CC[C@H]2C[NH+](CC(=O)NC3CC3)CC[C@@H]21 ZINC000879567168 590805605 /nfs/dbraw/zinc/80/56/05/590805605.db2.gz NJMGIAUXSHIXGA-JQWIXIFHSA-N 2 2 237.347 0.291 20 0 BCADLP C[N@H+]1CC[C@H]2C[NH+](CC(=O)NC3CC3)CC[C@@H]21 ZINC000879567168 590805608 /nfs/dbraw/zinc/80/56/08/590805608.db2.gz NJMGIAUXSHIXGA-JQWIXIFHSA-N 2 2 237.347 0.291 20 0 BCADLP C[NH+]1CC[C@H]2C[N@H+](CC(=O)NC3CC3)CC[C@@H]21 ZINC000879567168 590805611 /nfs/dbraw/zinc/80/56/11/590805611.db2.gz NJMGIAUXSHIXGA-JQWIXIFHSA-N 2 2 237.347 0.291 20 0 BCADLP C[NH+]1CC[C@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]21 ZINC000879567168 590805614 /nfs/dbraw/zinc/80/56/14/590805614.db2.gz NJMGIAUXSHIXGA-JQWIXIFHSA-N 2 2 237.347 0.291 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCCNC3=O)CC[C@H]21 ZINC000879577513 590814234 /nfs/dbraw/zinc/81/42/34/590814234.db2.gz JTIJXMBRWWWLTC-UTUOFQBUSA-N 2 2 237.347 0.291 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCCNC3=O)CC[C@H]21 ZINC000879577513 590814237 /nfs/dbraw/zinc/81/42/37/590814237.db2.gz JTIJXMBRWWWLTC-UTUOFQBUSA-N 2 2 237.347 0.291 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)CC[C@H]21 ZINC000879577513 590814241 /nfs/dbraw/zinc/81/42/41/590814241.db2.gz JTIJXMBRWWWLTC-UTUOFQBUSA-N 2 2 237.347 0.291 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCCNC3=O)CC[C@H]21 ZINC000879577513 590814243 /nfs/dbraw/zinc/81/42/43/590814243.db2.gz JTIJXMBRWWWLTC-UTUOFQBUSA-N 2 2 237.347 0.291 20 0 BCADLP C[N@@H+]1CC[C@H]2C[NH+](CCn3cc[nH+]c3)CC[C@H]21 ZINC000879577332 590815512 /nfs/dbraw/zinc/81/55/12/590815512.db2.gz IOFOTHPKLBPGKM-QWHCGFSZSA-N 3 2 234.347 0.909 20 0 BCADLP C[N@H+]1CC[C@H]2C[NH+](CCn3cc[nH+]c3)CC[C@H]21 ZINC000879577332 590815514 /nfs/dbraw/zinc/81/55/14/590815514.db2.gz IOFOTHPKLBPGKM-QWHCGFSZSA-N 3 2 234.347 0.909 20 0 BCADLP C[NH+]1CC[C@H]2C[N@H+](CCn3cc[nH+]c3)CC[C@H]21 ZINC000879577332 590815517 /nfs/dbraw/zinc/81/55/17/590815517.db2.gz IOFOTHPKLBPGKM-QWHCGFSZSA-N 3 2 234.347 0.909 20 0 BCADLP C[NH+]1CC[C@H]2C[N@@H+](CCn3cc[nH+]c3)CC[C@H]21 ZINC000879577332 590815520 /nfs/dbraw/zinc/81/55/20/590815520.db2.gz IOFOTHPKLBPGKM-QWHCGFSZSA-N 3 2 234.347 0.909 20 0 BCADLP C[N@@H+]1CC[C@@H]2CN(Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC000879582064 590820743 /nfs/dbraw/zinc/82/07/43/590820743.db2.gz PNJNRPOMQOLCKA-ZYHUDNBSSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@H+]1CC[C@@H]2CN(Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC000879582064 590820744 /nfs/dbraw/zinc/82/07/44/590820744.db2.gz PNJNRPOMQOLCKA-ZYHUDNBSSA-N 2 2 220.320 0.936 20 0 BCADLP CCN(C#N)CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879581344 590821459 /nfs/dbraw/zinc/82/14/59/590821459.db2.gz YRIAOQOYHWJCNX-QWHCGFSZSA-N 2 2 236.363 0.815 20 0 BCADLP CCN(C#N)CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879581344 590821463 /nfs/dbraw/zinc/82/14/63/590821463.db2.gz YRIAOQOYHWJCNX-QWHCGFSZSA-N 2 2 236.363 0.815 20 0 BCADLP CCN(C#N)CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879581344 590821466 /nfs/dbraw/zinc/82/14/66/590821466.db2.gz YRIAOQOYHWJCNX-QWHCGFSZSA-N 2 2 236.363 0.815 20 0 BCADLP CCN(C#N)CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879581344 590821468 /nfs/dbraw/zinc/82/14/68/590821468.db2.gz YRIAOQOYHWJCNX-QWHCGFSZSA-N 2 2 236.363 0.815 20 0 BCADLP CC(=O)NCCC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880134518 590936162 /nfs/dbraw/zinc/93/61/62/590936162.db2.gz SUXRDERETIBXND-CHWSQXEVSA-N 2 2 239.363 0.681 20 0 BCADLP CC(=O)NCCC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880134518 590936164 /nfs/dbraw/zinc/93/61/64/590936164.db2.gz SUXRDERETIBXND-CHWSQXEVSA-N 2 2 239.363 0.681 20 0 BCADLP CC(=O)NCCC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880134518 590936165 /nfs/dbraw/zinc/93/61/65/590936165.db2.gz SUXRDERETIBXND-CHWSQXEVSA-N 2 2 239.363 0.681 20 0 BCADLP CC(=O)NCCC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880134518 590936167 /nfs/dbraw/zinc/93/61/67/590936167.db2.gz SUXRDERETIBXND-CHWSQXEVSA-N 2 2 239.363 0.681 20 0 BCADLP COC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880136169 590936829 /nfs/dbraw/zinc/93/68/29/590936829.db2.gz HFRVLBNTPYCYHT-TUAOUCFPSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@@H](O)C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880136169 590936830 /nfs/dbraw/zinc/93/68/30/590936830.db2.gz HFRVLBNTPYCYHT-TUAOUCFPSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@@H](O)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880136169 590936833 /nfs/dbraw/zinc/93/68/33/590936833.db2.gz HFRVLBNTPYCYHT-TUAOUCFPSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@@H](O)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880136169 590936834 /nfs/dbraw/zinc/93/68/34/590936834.db2.gz HFRVLBNTPYCYHT-TUAOUCFPSA-N 2 2 228.336 0.162 20 0 BCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H]1CCC(=O)N1 ZINC000880141976 590941292 /nfs/dbraw/zinc/94/12/92/590941292.db2.gz LIFNHOAFXAFRAX-QJPTWQEYSA-N 2 2 237.347 0.434 20 0 BCADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H]1CCC(=O)N1 ZINC000880141976 590941295 /nfs/dbraw/zinc/94/12/95/590941295.db2.gz LIFNHOAFXAFRAX-QJPTWQEYSA-N 2 2 237.347 0.434 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H]1CCC(=O)N1 ZINC000880141976 590941298 /nfs/dbraw/zinc/94/12/98/590941298.db2.gz LIFNHOAFXAFRAX-QJPTWQEYSA-N 2 2 237.347 0.434 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H]1CCC(=O)N1 ZINC000880141976 590941302 /nfs/dbraw/zinc/94/13/02/590941302.db2.gz LIFNHOAFXAFRAX-QJPTWQEYSA-N 2 2 237.347 0.434 20 0 BCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H]1CCC(=O)O1 ZINC000880140942 590942902 /nfs/dbraw/zinc/94/29/02/590942902.db2.gz FVDBMFSJSNRIKT-GRYCIOLGSA-N 2 2 238.331 0.861 20 0 BCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H]1CCC(=O)O1 ZINC000880140942 590942905 /nfs/dbraw/zinc/94/29/05/590942905.db2.gz FVDBMFSJSNRIKT-GRYCIOLGSA-N 2 2 238.331 0.861 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H]1CCC(=O)O1 ZINC000880140942 590942908 /nfs/dbraw/zinc/94/29/08/590942908.db2.gz FVDBMFSJSNRIKT-GRYCIOLGSA-N 2 2 238.331 0.861 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H]1CCC(=O)O1 ZINC000880140942 590942913 /nfs/dbraw/zinc/94/29/13/590942913.db2.gz FVDBMFSJSNRIKT-GRYCIOLGSA-N 2 2 238.331 0.861 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)C1(COC)CCC1 ZINC000880185174 590952700 /nfs/dbraw/zinc/95/27/00/590952700.db2.gz HTAKNWJKNWEQQG-GFCCVEGCSA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C1(COC)CCC1 ZINC000880185174 590952703 /nfs/dbraw/zinc/95/27/03/590952703.db2.gz HTAKNWJKNWEQQG-GFCCVEGCSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)C1(COC)CCC1 ZINC000880185174 590952706 /nfs/dbraw/zinc/95/27/06/590952706.db2.gz HTAKNWJKNWEQQG-GFCCVEGCSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C1(COC)CCC1 ZINC000880185174 590952709 /nfs/dbraw/zinc/95/27/09/590952709.db2.gz HTAKNWJKNWEQQG-GFCCVEGCSA-N 2 2 244.379 0.800 20 0 BCADLP CC(=O)N1C[C@@H]2C[N@@H+](CCn3cc[nH+]c3)C[C@@H]2C1 ZINC000880312323 591001562 /nfs/dbraw/zinc/00/15/62/591001562.db2.gz YUMYKHZEODJMPC-BETUJISGSA-N 2 2 248.330 0.293 20 0 BCADLP CC(=O)N1C[C@@H]2C[N@H+](CCn3cc[nH+]c3)C[C@@H]2C1 ZINC000880312323 591001567 /nfs/dbraw/zinc/00/15/67/591001567.db2.gz YUMYKHZEODJMPC-BETUJISGSA-N 2 2 248.330 0.293 20 0 BCADLP C[C@@H](C(N)=O)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880469706 591052849 /nfs/dbraw/zinc/05/28/49/591052849.db2.gz DMWYHHAASRILGS-JTQLQIEISA-N 2 2 225.336 0.420 20 0 BCADLP OC[C@@H]1C=CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000880489121 591066860 /nfs/dbraw/zinc/06/68/60/591066860.db2.gz QMCQUTINLSTDPW-NSHDSACASA-N 2 2 207.277 0.506 20 0 BCADLP OC[C@@H]1C=CC[N@H+]1CCCn1cc[nH+]c1 ZINC000880489121 591066865 /nfs/dbraw/zinc/06/68/65/591066865.db2.gz QMCQUTINLSTDPW-NSHDSACASA-N 2 2 207.277 0.506 20 0 BCADLP CC(C)C[C@@H](C(N)=O)[N@H+](C)CCn1cc[nH+]c1 ZINC000880590363 591104111 /nfs/dbraw/zinc/10/41/11/591104111.db2.gz OTNXKBXVAXDUJN-NSHDSACASA-N 2 2 238.335 0.715 20 0 BCADLP CC(C)C[C@@H](C(N)=O)[N@@H+](C)CCn1cc[nH+]c1 ZINC000880590363 591104114 /nfs/dbraw/zinc/10/41/14/591104114.db2.gz OTNXKBXVAXDUJN-NSHDSACASA-N 2 2 238.335 0.715 20 0 BCADLP C[C@H]([NH3+])c1cn(Cc2cc[nH+]c(N(C)C)c2)nn1 ZINC000881365365 591196403 /nfs/dbraw/zinc/19/64/03/591196403.db2.gz CNLSSKCLCIRTDI-VIFPVBQESA-N 2 2 246.318 0.807 20 0 BCADLP Cc1[nH+]cnc(NCCN2CC[NH+](C)CC2)c1C ZINC000881779071 591270258 /nfs/dbraw/zinc/27/02/58/591270258.db2.gz KEFYNHTXERUNRA-UHFFFAOYSA-N 2 2 249.362 0.753 20 0 BCADLP Cc1[nH+]cnc(NC[C@@H](O)C[NH+](C)C)c1C ZINC000881796152 591271895 /nfs/dbraw/zinc/27/18/95/591271895.db2.gz UKOHGXFGJYEIIA-SNVBAGLBSA-N 2 2 224.308 0.428 20 0 BCADLP CC[N@@H+]1CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000882484880 591362163 /nfs/dbraw/zinc/36/21/63/591362163.db2.gz MRQSBDQZXNOCKB-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP CC[N@H+]1CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000882484880 591362167 /nfs/dbraw/zinc/36/21/67/591362167.db2.gz MRQSBDQZXNOCKB-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)C[C@H]([NH3+])C1CC1 ZINC000129878005 591414455 /nfs/dbraw/zinc/41/44/55/591414455.db2.gz ZETCOFDCFBKGSG-VIFPVBQESA-N 2 2 222.292 0.164 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000129902114 591417406 /nfs/dbraw/zinc/41/74/06/591417406.db2.gz DBPGHGNFYRRDCZ-SECBINFHSA-N 2 2 222.292 0.496 20 0 BCADLP CO[C@H]1C[C@H](C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000883262942 591600244 /nfs/dbraw/zinc/60/02/44/591600244.db2.gz BDAOAZNDBLZTIA-FIQHERPVSA-N 2 2 212.337 0.951 20 0 BCADLP CO[C@H]1C[C@H](C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000883262942 591600247 /nfs/dbraw/zinc/60/02/47/591600247.db2.gz BDAOAZNDBLZTIA-FIQHERPVSA-N 2 2 212.337 0.951 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)C[C@@H]1CCC2(CCOCC2)O1 ZINC000883418171 591653945 /nfs/dbraw/zinc/65/39/45/591653945.db2.gz ZOMQGJMBWDJWSU-RYUDHWBXSA-N 2 2 242.363 0.994 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@@H]1CCC2(CCOCC2)O1 ZINC000883418171 591653946 /nfs/dbraw/zinc/65/39/46/591653946.db2.gz ZOMQGJMBWDJWSU-RYUDHWBXSA-N 2 2 242.363 0.994 20 0 BCADLP c1n[nH]cc1CC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000883440716 591669022 /nfs/dbraw/zinc/66/90/22/591669022.db2.gz XEVSCZBTPLIRTL-RYUDHWBXSA-N 2 2 220.320 0.779 20 0 BCADLP c1n[nH]cc1CC[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000883440716 591669026 /nfs/dbraw/zinc/66/90/26/591669026.db2.gz XEVSCZBTPLIRTL-RYUDHWBXSA-N 2 2 220.320 0.779 20 0 BCADLP Cc1cn(C(C)(C)C(=O)NC[C@H](C)[NH3+])c[nH+]1 ZINC000884275851 591890429 /nfs/dbraw/zinc/89/04/29/591890429.db2.gz XVFHSQSGBRNEPS-QMMMGPOBSA-N 2 2 224.308 0.390 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)c[nH+]1 ZINC000884360379 591914927 /nfs/dbraw/zinc/91/49/27/591914927.db2.gz ZGHOAFLNBLPCEN-RKDXNWHRSA-N 2 2 222.292 0.574 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]([NH3+])CC1CC1 ZINC000884394302 591923968 /nfs/dbraw/zinc/92/39/68/591923968.db2.gz AKAXWTTWGXQQSD-SNVBAGLBSA-N 2 2 222.292 0.496 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]([NH3+])CC1CC1 ZINC000884394302 591923970 /nfs/dbraw/zinc/92/39/70/591923970.db2.gz AKAXWTTWGXQQSD-SNVBAGLBSA-N 2 2 222.292 0.496 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H](C[NH3+])OC ZINC000884412345 591928305 /nfs/dbraw/zinc/92/83/05/591928305.db2.gz OILJUQSYVFWUBD-BDAKNGLRSA-N 2 2 240.307 0.054 20 0 BCADLP Cc1n[nH]c(C[NH2+]C[C@](C)(O)C[NH+](C)C)c1C ZINC000886044269 592139834 /nfs/dbraw/zinc/13/98/34/592139834.db2.gz UQXXIIOZPIFOHV-LBPRGKRZSA-N 2 2 240.351 0.429 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H](CO)C[C@@H]1CCCO1 ZINC000886225673 592180504 /nfs/dbraw/zinc/18/05/04/592180504.db2.gz APDYEFXAZVZSCL-NDBYEHHHSA-N 2 2 242.363 0.456 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H](CO)C[C@@H]1CCCO1 ZINC000886225673 592180505 /nfs/dbraw/zinc/18/05/05/592180505.db2.gz APDYEFXAZVZSCL-NDBYEHHHSA-N 2 2 242.363 0.456 20 0 BCADLP c1cn(CCC[N@@H+]2CCCn3nncc3C2)c[nH+]1 ZINC000886461217 592227634 /nfs/dbraw/zinc/22/76/34/592227634.db2.gz NCQQYANOKJYMNW-UHFFFAOYSA-N 2 2 246.318 0.771 20 0 BCADLP c1cn(CCC[N@H+]2CCCn3nncc3C2)c[nH+]1 ZINC000886461217 592227636 /nfs/dbraw/zinc/22/76/36/592227636.db2.gz NCQQYANOKJYMNW-UHFFFAOYSA-N 2 2 246.318 0.771 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000886572992 592265729 /nfs/dbraw/zinc/26/57/29/592265729.db2.gz MXMNMMAIGZULNL-UHTWSYAYSA-N 2 2 235.331 0.665 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000886572992 592265732 /nfs/dbraw/zinc/26/57/32/592265732.db2.gz MXMNMMAIGZULNL-UHTWSYAYSA-N 2 2 235.331 0.665 20 0 BCADLP c1nnn2c1C[N@H+](C[C@@H]1CCC[NH2+]C1)CCC2 ZINC000886858297 592370432 /nfs/dbraw/zinc/37/04/32/592370432.db2.gz VMLMUDJBPVUFKX-LLVKDONJSA-N 2 2 235.335 0.483 20 0 BCADLP c1nnn2c1C[N@@H+](C[C@@H]1CCC[NH2+]C1)CCC2 ZINC000886858297 592370435 /nfs/dbraw/zinc/37/04/35/592370435.db2.gz VMLMUDJBPVUFKX-LLVKDONJSA-N 2 2 235.335 0.483 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886859957 592372734 /nfs/dbraw/zinc/37/27/34/592372734.db2.gz LURNNICIPLGZPZ-XQQFMLRXSA-N 2 2 240.347 0.476 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886859957 592372738 /nfs/dbraw/zinc/37/27/38/592372738.db2.gz LURNNICIPLGZPZ-XQQFMLRXSA-N 2 2 240.347 0.476 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886859954 592372753 /nfs/dbraw/zinc/37/27/53/592372753.db2.gz LURNNICIPLGZPZ-AGIUHOORSA-N 2 2 240.347 0.476 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886859954 592372758 /nfs/dbraw/zinc/37/27/58/592372758.db2.gz LURNNICIPLGZPZ-AGIUHOORSA-N 2 2 240.347 0.476 20 0 BCADLP O=C1OCC[C@@H]1[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872442 592376826 /nfs/dbraw/zinc/37/68/26/592376826.db2.gz SFAICVKAZDFXJA-WCQYABFASA-N 2 2 238.331 0.768 20 0 BCADLP O=C1OCC[C@@H]1[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872442 592376831 /nfs/dbraw/zinc/37/68/31/592376831.db2.gz SFAICVKAZDFXJA-WCQYABFASA-N 2 2 238.331 0.768 20 0 BCADLP COC(=O)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874881 592379139 /nfs/dbraw/zinc/37/91/39/592379139.db2.gz ZAMGMXZFDLIDKO-LBPRGKRZSA-N 2 2 226.320 0.625 20 0 BCADLP COC(=O)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874881 592379142 /nfs/dbraw/zinc/37/91/42/592379142.db2.gz ZAMGMXZFDLIDKO-LBPRGKRZSA-N 2 2 226.320 0.625 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130239 592448372 /nfs/dbraw/zinc/44/83/72/592448372.db2.gz ABOCJVCJZYEGMX-QWRGUYRKSA-N 2 2 248.330 0.466 20 0 BCADLP C[C@@H](C(N)=O)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130239 592448374 /nfs/dbraw/zinc/44/83/74/592448374.db2.gz ABOCJVCJZYEGMX-QWRGUYRKSA-N 2 2 248.330 0.466 20 0 BCADLP [NH3+][C@@H](CC1CC1)C(=O)NCCCn1cc[nH+]c1 ZINC000302682738 592550988 /nfs/dbraw/zinc/55/09/88/592550988.db2.gz QMLJFUNJWIVTNM-NSHDSACASA-N 2 2 236.319 0.517 20 0 BCADLP Cn1c[nH+]c(CNC(=O)C2([NH+](C)C)CC2)c1 ZINC000890104082 592680007 /nfs/dbraw/zinc/68/00/07/592680007.db2.gz HMMCYSWHODVQIA-UHFFFAOYSA-N 2 2 222.292 0.131 20 0 BCADLP Cn1c[nH+]c(CNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000890104029 592680132 /nfs/dbraw/zinc/68/01/32/592680132.db2.gz UDLLAUJPFKBZMR-SNVBAGLBSA-N 2 2 222.292 0.131 20 0 BCADLP Cn1c[nH+]c(CNC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC000890104029 592680134 /nfs/dbraw/zinc/68/01/34/592680134.db2.gz UDLLAUJPFKBZMR-SNVBAGLBSA-N 2 2 222.292 0.131 20 0 BCADLP C[C@H](CC(=O)NCc1cn(C)c[nH+]1)n1cc[nH+]c1 ZINC000890103727 592680267 /nfs/dbraw/zinc/68/02/67/592680267.db2.gz CDMALRPOENNHKO-SNVBAGLBSA-N 2 2 247.302 0.884 20 0 BCADLP Cn1c[nH+]c(CNC(=O)CC[NH2+]C(C)(C)C)c1 ZINC000890119386 592685948 /nfs/dbraw/zinc/68/59/48/592685948.db2.gz FXZDJKOJVOVRMW-UHFFFAOYSA-N 2 2 238.335 0.815 20 0 BCADLP C[C@]1(CC[NH2+][C@H]2C[NH2+]CCOC2)CC1(F)F ZINC000925705448 634385532 /nfs/dbraw/zinc/38/55/32/634385532.db2.gz BVDRTWJASQHDIE-UWVGGRQHSA-N 2 2 234.290 1.000 20 0 BCADLP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C12CCC2 ZINC000925709634 634402681 /nfs/dbraw/zinc/40/26/81/634402681.db2.gz ORHJUXFBXCHMFQ-TUAOUCFPSA-N 3 2 239.363 0.224 20 0 BCADLP C[C@@H](C[NH2+][C@H]1C[NH2+]CCOC1)CC(F)F ZINC000925713424 634416563 /nfs/dbraw/zinc/41/65/63/634416563.db2.gz RZVUYIFEBMUNHX-BDAKNGLRSA-N 2 2 222.279 0.856 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1COCC1(C)C ZINC000313060700 634445071 /nfs/dbraw/zinc/44/50/71/634445071.db2.gz WFORUPLRHNZDLW-VHSXEESVSA-N 2 2 200.326 0.951 20 0 BCADLP CC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027139328 634446627 /nfs/dbraw/zinc/44/66/27/634446627.db2.gz GFTMNNAMFWSQMU-JTQLQIEISA-N 2 2 236.319 0.410 20 0 BCADLP COC(=O)N(C)CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925716444 634447892 /nfs/dbraw/zinc/44/78/92/634447892.db2.gz QXGQMOIISQXKKT-SECBINFHSA-N 2 2 229.324 0.415 20 0 BCADLP COC(=O)C1=CC[C@@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925723592 634472934 /nfs/dbraw/zinc/47/29/34/634472934.db2.gz RSELIQXUGOHNIH-GHMZBOCLSA-N 2 2 238.331 0.978 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925786002 635301602 /nfs/dbraw/zinc/30/16/02/635301602.db2.gz MWINXCOFMZOOAK-NDBYEHHHSA-N 3 2 241.379 0.199 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CNOC1)c1c[nH+]ccc1N ZINC000925858974 635551671 /nfs/dbraw/zinc/55/16/71/635551671.db2.gz DRKPOMVDDWNBLY-HTQZYQBOSA-N 2 2 208.265 0.048 20 0 BCADLP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CNOC3)CC[NH2+]2)cc1 ZINC000925865438 635565611 /nfs/dbraw/zinc/56/56/11/635565611.db2.gz RAQMBANDAKEEMP-IHRRRGAJSA-N 2 2 247.342 0.973 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCOC1CCOCC1 ZINC000925877425 635602031 /nfs/dbraw/zinc/60/20/31/635602031.db2.gz IGNOMVPDUWOETE-LBPRGKRZSA-N 2 2 242.363 0.912 20 0 BCADLP COC(=O)[C@H]([NH2+]CC1CC[NH+](C)CC1)C1CC1 ZINC000234558150 631636660 /nfs/dbraw/zinc/63/66/60/631636660.db2.gz NCQMGXWTCKYEIO-GFCCVEGCSA-N 2 2 240.347 0.869 20 0 BCADLP Cl/C=C/C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000309029956 631804317 /nfs/dbraw/zinc/80/43/17/631804317.db2.gz AVYBZAOJBCHBII-JHSHHRBUSA-N 2 2 229.755 0.718 20 0 BCADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@@H](C)C[NH+](C)C ZINC000309255892 631981950 /nfs/dbraw/zinc/98/19/50/631981950.db2.gz PLZLSDXBOZZTDC-VWYCJHECSA-N 2 2 227.352 0.583 20 0 BCADLP CNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000052020221 632043211 /nfs/dbraw/zinc/04/32/11/632043211.db2.gz MZCFLJYOAPAUGM-LLVKDONJSA-N 2 2 241.383 0.002 20 0 BCADLP CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001022978207 632093707 /nfs/dbraw/zinc/09/37/07/632093707.db2.gz UMTLPRSLTKAFJW-AOOOYVTPSA-N 2 2 236.319 0.219 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(C=O)CC1 ZINC000309521924 632468969 /nfs/dbraw/zinc/46/89/69/632468969.db2.gz CEXSJSMFMGOQST-GFCCVEGCSA-N 2 2 225.336 0.291 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(C=O)CC1 ZINC000309521924 632468972 /nfs/dbraw/zinc/46/89/72/632468972.db2.gz CEXSJSMFMGOQST-GFCCVEGCSA-N 2 2 225.336 0.291 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000310221813 632709214 /nfs/dbraw/zinc/70/92/14/632709214.db2.gz HFNXUDSOXGULKL-KOLCDFICSA-N 2 2 236.319 0.515 20 0 BCADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000310355344 632727044 /nfs/dbraw/zinc/72/70/44/632727044.db2.gz QPJKTSWFJIUQJT-GRYCIOLGSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000310355344 632727048 /nfs/dbraw/zinc/72/70/48/632727048.db2.gz QPJKTSWFJIUQJT-GRYCIOLGSA-N 2 2 239.363 0.727 20 0 BCADLP CCn1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)nn1 ZINC000894546115 635907108 /nfs/dbraw/zinc/90/71/08/635907108.db2.gz BCDVKZQALTZGGZ-VIFPVBQESA-N 2 2 246.318 0.668 20 0 BCADLP CCn1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)nn1 ZINC000894546114 635908363 /nfs/dbraw/zinc/90/83/63/635908363.db2.gz BCDVKZQALTZGGZ-SECBINFHSA-N 2 2 246.318 0.668 20 0 BCADLP Cn1cnc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1 ZINC000309750939 633236480 /nfs/dbraw/zinc/23/64/80/633236480.db2.gz KMMHXQKMYSOFSB-LLVKDONJSA-N 2 2 222.336 0.852 20 0 BCADLP Cn1cnc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000309750939 633236484 /nfs/dbraw/zinc/23/64/84/633236484.db2.gz KMMHXQKMYSOFSB-LLVKDONJSA-N 2 2 222.336 0.852 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928445669 635949064 /nfs/dbraw/zinc/94/90/64/635949064.db2.gz ZTFUNWMHMPQYJS-NXEZZACHSA-N 2 2 236.319 0.469 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000928445669 635949070 /nfs/dbraw/zinc/94/90/70/635949070.db2.gz ZTFUNWMHMPQYJS-NXEZZACHSA-N 2 2 236.319 0.469 20 0 BCADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]CC[NH+]1CCCC1 ZINC000310465007 636061573 /nfs/dbraw/zinc/06/15/73/636061573.db2.gz WWSWLXSPWHDCIN-NEPJUHHUSA-N 2 2 239.363 0.729 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCO)C1 ZINC000328175228 633735242 /nfs/dbraw/zinc/73/52/42/633735242.db2.gz LBGKONCWLNKZHN-GHMZBOCLSA-N 2 2 200.326 0.831 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCO)C1 ZINC000328175228 633735244 /nfs/dbraw/zinc/73/52/44/633735244.db2.gz LBGKONCWLNKZHN-GHMZBOCLSA-N 2 2 200.326 0.831 20 0 BCADLP C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C(=O)N(C)C ZINC000328573738 633778867 /nfs/dbraw/zinc/77/88/67/633778867.db2.gz WDYQCKHLYLOYQI-KUYXLPFXSA-N 2 2 237.347 0.049 20 0 BCADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C(=O)N(C)C ZINC000328573737 633779320 /nfs/dbraw/zinc/77/93/20/633779320.db2.gz WDYQCKHLYLOYQI-DCHHYWPUSA-N 2 2 237.347 0.049 20 0 BCADLP CSCCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925503308 633827888 /nfs/dbraw/zinc/82/78/88/633827888.db2.gz KCBBXFDLANVYAZ-VIFPVBQESA-N 2 2 204.339 0.318 20 0 BCADLP O[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)C(F)(F)F ZINC000309300238 633889826 /nfs/dbraw/zinc/88/98/26/633889826.db2.gz SXJSDHKOHSBLLF-XHNCKOQMSA-N 2 2 238.253 0.593 20 0 BCADLP O[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)C(F)(F)F ZINC000309300238 633889880 /nfs/dbraw/zinc/88/98/80/633889880.db2.gz SXJSDHKOHSBLLF-XHNCKOQMSA-N 2 2 238.253 0.593 20 0 BCADLP Cn1cnc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000309750940 634001581 /nfs/dbraw/zinc/00/15/81/634001581.db2.gz KMMHXQKMYSOFSB-NSHDSACASA-N 2 2 222.336 0.852 20 0 BCADLP Cn1cnc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000309750940 634001592 /nfs/dbraw/zinc/00/15/92/634001592.db2.gz KMMHXQKMYSOFSB-NSHDSACASA-N 2 2 222.336 0.852 20 0 BCADLP C[C@H]([NH3+])[C@@H]([NH2+]CCOCCO)c1ccccc1 ZINC000925609483 634146070 /nfs/dbraw/zinc/14/60/70/634146070.db2.gz BPJVXXYJGMOKTB-WCQYABFASA-N 2 2 238.331 0.673 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000925615150 634158582 /nfs/dbraw/zinc/15/85/82/634158582.db2.gz MIBONJHAANPSLK-AXFHLTTASA-N 2 2 210.321 0.654 20 0 BCADLP COCCC1(C[NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925617732 634167069 /nfs/dbraw/zinc/16/70/69/634167069.db2.gz RKXWINAAQFRXEG-NSHDSACASA-N 2 2 228.336 0.381 20 0 BCADLP CC1(O)CCC([NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925621148 634180808 /nfs/dbraw/zinc/18/08/08/634180808.db2.gz CLWHZJQYZPRMFW-CXQJBGSLSA-N 2 2 228.336 0.258 20 0 BCADLP C[NH+](C)CCOCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925650573 634206846 /nfs/dbraw/zinc/20/68/46/634206846.db2.gz WFWLWGZMFQZAFT-GFCCVEGCSA-N 3 2 241.379 0.439 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CCOCC(F)F ZINC000925650167 634208157 /nfs/dbraw/zinc/20/81/57/634208157.db2.gz RNHQITMJEDVTQS-MRVPVSSYSA-N 2 2 222.279 0.998 20 0 BCADLP C1[C@@H]2[C@H]1CCC[C@H]2[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925686360 634298603 /nfs/dbraw/zinc/29/86/03/634298603.db2.gz SBOURLJHESRAGN-NNYUYHANSA-N 2 2 210.321 0.753 20 0 BCADLP C[C@@H](CCCC[NH3+])[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925698148 634362624 /nfs/dbraw/zinc/36/26/24/634362624.db2.gz CKPDSECHBACOAP-QWRGUYRKSA-N 3 2 215.341 0.082 20 0 BCADLP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925698147 634362949 /nfs/dbraw/zinc/36/29/49/634362949.db2.gz CKPDSECHBACOAP-MNOVXSKESA-N 3 2 215.341 0.082 20 0 BCADLP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CC[NH2+]C2)C12CCC2 ZINC000925700076 634368241 /nfs/dbraw/zinc/36/82/41/634368241.db2.gz RILVFUJRXQKINY-HBNTYKKESA-N 3 2 209.337 0.455 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC[NH2+]1 ZINC000925700755 634372693 /nfs/dbraw/zinc/37/26/93/634372693.db2.gz SLFWVTUWRCFDMQ-WYUUTHIRSA-N 3 2 223.364 0.986 20 0 BCADLP C[C@H]([NH3+])[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccccc1 ZINC000925702302 634375858 /nfs/dbraw/zinc/37/58/58/634375858.db2.gz NDPQEJCHJQSZFC-SYEHKZFSSA-N 2 2 247.342 0.928 20 0 BCADLP CN(C)c1cc(N[C@H]2CC[NH2+]C2)nc[nH+]1 ZINC000258640650 635180910 /nfs/dbraw/zinc/18/09/10/635180910.db2.gz LUJRZLSCEROYOU-QMMMGPOBSA-N 2 2 207.281 0.316 20 0 BCADLP CC[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980540138 635236905 /nfs/dbraw/zinc/23/69/05/635236905.db2.gz XTCPCEQDGJGTKS-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980540138 635236909 /nfs/dbraw/zinc/23/69/09/635236909.db2.gz XTCPCEQDGJGTKS-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP CSC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931719817 635272774 /nfs/dbraw/zinc/27/27/74/635272774.db2.gz FRBOTOHZLUKJQP-GRYCIOLGSA-N 2 2 244.404 0.879 20 0 BCADLP CSC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931719817 635272783 /nfs/dbraw/zinc/27/27/83/635272783.db2.gz FRBOTOHZLUKJQP-GRYCIOLGSA-N 2 2 244.404 0.879 20 0 BCADLP CSC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719817 635272762 /nfs/dbraw/zinc/27/27/62/635272762.db2.gz FRBOTOHZLUKJQP-GRYCIOLGSA-N 2 2 244.404 0.879 20 0 BCADLP CSC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719817 635272767 /nfs/dbraw/zinc/27/27/67/635272767.db2.gz FRBOTOHZLUKJQP-GRYCIOLGSA-N 2 2 244.404 0.879 20 0 BCADLP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CNOC3)CC[NH2+]2)cc1 ZINC000925860484 635552964 /nfs/dbraw/zinc/55/29/64/635552964.db2.gz RAQMBANDAKEEMP-MGPQQGTHSA-N 2 2 247.342 0.973 20 0 BCADLP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CNOC3)CC[NH2+]2)cc1 ZINC000925860483 635553231 /nfs/dbraw/zinc/55/32/31/635553231.db2.gz RAQMBANDAKEEMP-MCIONIFRSA-N 2 2 247.342 0.973 20 0 BCADLP C[NH+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000074673169 636653419 /nfs/dbraw/zinc/65/34/19/636653419.db2.gz DRAMURFULTVQSU-UHFFFAOYSA-N 2 2 210.281 0.020 20 0 BCADLP C[C@@H](CO)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925278900 636703701 /nfs/dbraw/zinc/70/37/01/636703701.db2.gz IEXAJZRIPZNLJM-SRVKXCTJSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@@H](CO)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925278900 636703705 /nfs/dbraw/zinc/70/37/05/636703705.db2.gz IEXAJZRIPZNLJM-SRVKXCTJSA-N 2 2 212.337 0.974 20 0 BCADLP CC(C)(C)NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000322257862 636826793 /nfs/dbraw/zinc/82/67/93/636826793.db2.gz RSLMKCYURQPWPT-UHFFFAOYSA-N 2 2 242.367 0.507 20 0 BCADLP C[C@H]1C[N@H+](CC(=O)NCC2CC2)CC[C@@H]1[NH3+] ZINC000086886874 636891862 /nfs/dbraw/zinc/89/18/62/636891862.db2.gz FEPUTFXNVSBLID-ONGXEEELSA-N 2 2 225.336 0.182 20 0 BCADLP C[C@H]1C[N@@H+](CC(=O)NCC2CC2)CC[C@@H]1[NH3+] ZINC000086886874 636891865 /nfs/dbraw/zinc/89/18/65/636891865.db2.gz FEPUTFXNVSBLID-ONGXEEELSA-N 2 2 225.336 0.182 20 0 BCADLP CON1CCC([NH2+][C@H](C)Cn2cc[nH+]c2)CC1 ZINC000323461953 636963764 /nfs/dbraw/zinc/96/37/64/636963764.db2.gz HPQSUBJDWZOCFS-LLVKDONJSA-N 2 2 238.335 0.887 20 0 BCADLP Cn1ccc(C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)cc1=O ZINC000903553806 637370361 /nfs/dbraw/zinc/37/03/61/637370361.db2.gz ZUWJHAMUBJOYAN-LLVKDONJSA-N 2 2 235.331 0.554 20 0 BCADLP Cn1ccc(C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)cc1=O ZINC000903553806 637370367 /nfs/dbraw/zinc/37/03/67/637370367.db2.gz ZUWJHAMUBJOYAN-LLVKDONJSA-N 2 2 235.331 0.554 20 0 BCADLP Cn1c[nH+]cc1CN1CCC[C@@]12CC[NH2+]C2 ZINC000903867657 637386282 /nfs/dbraw/zinc/38/62/82/637386282.db2.gz RTRPGSNJHJYOMS-LBPRGKRZSA-N 2 2 220.320 0.748 20 0 BCADLP CC(C)C[C@H]([NH3+])C[NH2+][C@]1(C)CCNC1=O ZINC000904469277 637422898 /nfs/dbraw/zinc/42/28/98/637422898.db2.gz LANRRQQEUOKYGI-GXSJLCMTSA-N 2 2 213.325 0.228 20 0 BCADLP [NH3+]C1(C[NH2+]Cc2cnc(N3CCCC3)nc2)CC1 ZINC000904450294 637416223 /nfs/dbraw/zinc/41/62/23/637416223.db2.gz QZFDRJOCYHEBIA-UHFFFAOYSA-N 2 2 247.346 0.658 20 0 BCADLP C1CC1[C@H]1COC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000904476826 637427645 /nfs/dbraw/zinc/42/76/45/637427645.db2.gz RVPUGSJUIPTDPU-UTUOFQBUSA-N 2 2 210.321 0.753 20 0 BCADLP C1CC1[C@@H]1COC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000904476823 637428022 /nfs/dbraw/zinc/42/80/22/637428022.db2.gz RVPUGSJUIPTDPU-GRYCIOLGSA-N 2 2 210.321 0.753 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1Nc1cc(N(C)C)[nH+]cn1 ZINC000905645920 637881647 /nfs/dbraw/zinc/88/16/47/637881647.db2.gz WQDLZJLGYGRZOJ-DTWKUNHWSA-N 2 2 221.308 0.705 20 0 BCADLP CC[C@H]([NH3+])c1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905817258 637944856 /nfs/dbraw/zinc/94/48/56/637944856.db2.gz OJIFBCVRGSRMJY-VIFPVBQESA-N 2 2 232.291 0.713 20 0 BCADLP COCC1C[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000905971246 637985475 /nfs/dbraw/zinc/98/54/75/637985475.db2.gz MTBNUWNJJYJOOZ-GFCCVEGCSA-N 2 2 230.352 0.266 20 0 BCADLP COCC1C[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000905971246 637985481 /nfs/dbraw/zinc/98/54/81/637985481.db2.gz MTBNUWNJJYJOOZ-GFCCVEGCSA-N 2 2 230.352 0.266 20 0 BCADLP COC(=O)c1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)oc1C ZINC000906517820 638186710 /nfs/dbraw/zinc/18/67/10/638186710.db2.gz SSOWSQDUYQXLCZ-KYZUINATSA-N 2 2 238.287 0.954 20 0 BCADLP C[C@@H](C[NH+](C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000908196375 638600802 /nfs/dbraw/zinc/60/08/02/638600802.db2.gz WKBLSEMRICHVAH-QMMMGPOBSA-N 2 2 210.281 0.019 20 0 BCADLP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000908412760 638700596 /nfs/dbraw/zinc/70/05/96/638700596.db2.gz GPOACHBOPLUQFI-ONGXEEELSA-N 2 2 236.319 0.503 20 0 BCADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)C12CC[NH+](CC1)C2 ZINC000908758366 639062307 /nfs/dbraw/zinc/06/23/07/639062307.db2.gz JDZXNJFNBTXUMH-JTQLQIEISA-N 2 2 246.314 0.020 20 0 BCADLP Cc1cc(C)c(C(=O)NCC[NH3+])c(C)[nH+]1 ZINC000911622570 639684480 /nfs/dbraw/zinc/68/44/80/639684480.db2.gz ITFGLYWUTDFHPH-UHFFFAOYSA-N 2 2 207.277 0.695 20 0 BCADLP CC[NH2+]CCCNC(=O)C[C@@H]([NH3+])C(F)F ZINC000911688574 639728315 /nfs/dbraw/zinc/72/83/15/639728315.db2.gz RDOSGFJUEKNHNK-SSDOTTSWSA-N 2 2 223.267 0.085 20 0 BCADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCC[NH2+]C1 ZINC000911718147 639743087 /nfs/dbraw/zinc/74/30/87/639743087.db2.gz IGHVVEKLYZALPE-UWVGGRQHSA-N 2 2 236.319 0.457 20 0 BCADLP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911724670 639748568 /nfs/dbraw/zinc/74/85/68/639748568.db2.gz NIAWHJDTJNNACU-GHMZBOCLSA-N 2 2 248.330 0.266 20 0 BCADLP [NH3+][C@@H](CC(=O)NC[C@H]1CCC[NH2+]C1)C(F)F ZINC000911706158 639761026 /nfs/dbraw/zinc/76/10/26/639761026.db2.gz FABYPEIKYIRCOL-YUMQZZPRSA-N 2 2 235.278 0.085 20 0 BCADLP C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000911740428 639766313 /nfs/dbraw/zinc/76/63/13/639766313.db2.gz LMDMHXPTZANYJV-IVZWLZJFSA-N 2 2 236.319 0.377 20 0 BCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]C1CC1 ZINC000911755652 639783828 /nfs/dbraw/zinc/78/38/28/639783828.db2.gz SVBXWMGOVIAXRE-SECBINFHSA-N 2 2 236.319 0.457 20 0 BCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]C1CC1 ZINC000911755652 639783830 /nfs/dbraw/zinc/78/38/30/639783830.db2.gz SVBXWMGOVIAXRE-SECBINFHSA-N 2 2 236.319 0.457 20 0 BCADLP Cc1[nH]c(C[N@@H+](CCO)C[C@@H](C)O)c(C)[nH+]1 ZINC000930510976 639791568 /nfs/dbraw/zinc/79/15/68/639791568.db2.gz YYPUTGUZVJAJKB-MRVPVSSYSA-N 2 2 227.308 0.202 20 0 BCADLP Cc1[nH]c(C[N@H+](CCO)C[C@@H](C)O)c(C)[nH+]1 ZINC000930510976 639791575 /nfs/dbraw/zinc/79/15/75/639791575.db2.gz YYPUTGUZVJAJKB-MRVPVSSYSA-N 2 2 227.308 0.202 20 0 BCADLP [NH3+][C@@H](CC(=O)NCC[C@H]1CC[NH2+]C1)C(F)F ZINC000911769952 639794443 /nfs/dbraw/zinc/79/44/43/639794443.db2.gz XKCDVWVYTIRGDA-SFYZADRCSA-N 2 2 235.278 0.085 20 0 BCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CC[NH2+]C1 ZINC000911783696 639799729 /nfs/dbraw/zinc/79/97/29/639799729.db2.gz XUWZMTKUGCMJSQ-HBNTYKKESA-N 2 2 248.330 0.344 20 0 BCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H](C)[NH2+]1 ZINC000911797592 639818670 /nfs/dbraw/zinc/81/86/70/639818670.db2.gz SNWUXJOQUVSVGO-DTORHVGOSA-N 2 2 222.292 0.161 20 0 BCADLP C[C@@H]1CN(C(=O)C[C@H]([NH3+])C(F)F)C[C@H](C)[NH2+]1 ZINC000911798661 639821011 /nfs/dbraw/zinc/82/10/11/639821011.db2.gz VUVHINKQYNPLOK-RNJXMRFFSA-N 2 2 235.278 0.178 20 0 BCADLP C[C@@H]1CN(C(=O)C[C@@H]([NH3+])C(F)F)C[C@H](C)[NH2+]1 ZINC000911798657 639821142 /nfs/dbraw/zinc/82/11/42/639821142.db2.gz VUVHINKQYNPLOK-GJMOJQLCSA-N 2 2 235.278 0.178 20 0 BCADLP [NH3+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC000911800215 639822127 /nfs/dbraw/zinc/82/21/27/639822127.db2.gz PAMFONRYRBTVBO-UHFFFAOYSA-N 2 2 222.292 0.340 20 0 BCADLP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911812357 639834576 /nfs/dbraw/zinc/83/45/76/639834576.db2.gz YDUXQPJINVGVAV-VHSXEESVSA-N 2 2 236.319 0.251 20 0 BCADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000911826183 639837308 /nfs/dbraw/zinc/83/73/08/639837308.db2.gz LTMWSCVYIFPMDI-ONGXEEELSA-N 2 2 238.335 0.688 20 0 BCADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000911826183 639837313 /nfs/dbraw/zinc/83/73/13/639837313.db2.gz LTMWSCVYIFPMDI-ONGXEEELSA-N 2 2 238.335 0.688 20 0 BCADLP CC(C)[C@H]([NH3+])CNC(=O)Cc1[nH]cc[nH+]1 ZINC000911827591 639839098 /nfs/dbraw/zinc/83/90/98/639839098.db2.gz VLSXSIZETVZIQX-MRVPVSSYSA-N 2 2 210.281 0.052 20 0 BCADLP C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C[NH3+] ZINC000911827206 639839523 /nfs/dbraw/zinc/83/95/23/639839523.db2.gz UTJZWLVXARVANW-NXEZZACHSA-N 2 2 236.319 0.538 20 0 BCADLP CC(C)C[C@](C)(C[NH3+])NC(=O)Cc1[nH]cc[nH+]1 ZINC000911831408 639842333 /nfs/dbraw/zinc/84/23/33/639842333.db2.gz SBQNRUIZTSSVPQ-GFCCVEGCSA-N 2 2 238.335 0.832 20 0 BCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911835232 639846795 /nfs/dbraw/zinc/84/67/95/639846795.db2.gz SMMYDQCFTBAOJW-KCJUWKMLSA-N 2 2 236.319 0.442 20 0 BCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911835232 639846798 /nfs/dbraw/zinc/84/67/98/639846798.db2.gz SMMYDQCFTBAOJW-KCJUWKMLSA-N 2 2 236.319 0.442 20 0 BCADLP C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]([NH3+])C(F)F ZINC000911867100 639852195 /nfs/dbraw/zinc/85/21/95/639852195.db2.gz FQRVRDDTLFHQQY-HTQZYQBOSA-N 2 2 235.278 0.179 20 0 BCADLP CC(C)([NH3+])CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000911849164 639858517 /nfs/dbraw/zinc/85/85/17/639858517.db2.gz ZZVKUFGEOPSWBQ-VIFPVBQESA-N 2 2 236.319 0.299 20 0 BCADLP CCCC[C@H](C[NH3+])NC(=O)Cc1[nH]cc[nH+]1 ZINC000911879918 639865433 /nfs/dbraw/zinc/86/54/33/639865433.db2.gz QRTLQWYVMFYZDF-SECBINFHSA-N 2 2 224.308 0.586 20 0 BCADLP Cc1[nH]c(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)c(C)[nH+]1 ZINC000931053689 640042367 /nfs/dbraw/zinc/04/23/67/640042367.db2.gz BSASECVIWPDUNT-ZYHUDNBSSA-N 2 2 239.319 0.344 20 0 BCADLP Cc1[nH]c(C[N@H+]2C[C@H](O)C[C@]2(C)CO)c(C)[nH+]1 ZINC000931053689 640042386 /nfs/dbraw/zinc/04/23/86/640042386.db2.gz BSASECVIWPDUNT-ZYHUDNBSSA-N 2 2 239.319 0.344 20 0 BCADLP C[C@]1(NC(=O)Cn2cc[nH+]c2)C[NH+]2CCC1CC2 ZINC000912375458 640045508 /nfs/dbraw/zinc/04/55/08/640045508.db2.gz WLQPDORSNNFEEH-ZDUSSCGKSA-N 2 2 248.330 0.484 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCc3cn[nH]c3)C[C@H]21 ZINC000931277529 640128043 /nfs/dbraw/zinc/12/80/43/640128043.db2.gz LFUULJLZCJLBIQ-GDNZZTSVSA-N 2 2 220.320 0.444 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCc3cn[nH]c3)C[C@H]21 ZINC000931277529 640128047 /nfs/dbraw/zinc/12/80/47/640128047.db2.gz LFUULJLZCJLBIQ-GDNZZTSVSA-N 2 2 220.320 0.444 20 0 BCADLP Cn1nccc1CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278331 640129373 /nfs/dbraw/zinc/12/93/73/640129373.db2.gz WJILKZQYKMYEFH-ITGUQSILSA-N 2 2 234.347 0.454 20 0 BCADLP Cn1nccc1CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278331 640129378 /nfs/dbraw/zinc/12/93/78/640129378.db2.gz WJILKZQYKMYEFH-ITGUQSILSA-N 2 2 234.347 0.454 20 0 BCADLP CCOCC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278164 640129926 /nfs/dbraw/zinc/12/99/26/640129926.db2.gz ZDHIBIKZAKRAQB-WUHRBBMRSA-N 2 2 242.363 0.266 20 0 BCADLP CCOCC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278164 640129930 /nfs/dbraw/zinc/12/99/30/640129930.db2.gz ZDHIBIKZAKRAQB-WUHRBBMRSA-N 2 2 242.363 0.266 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCCn3ccnc3)C[C@H]21 ZINC000931279073 640132003 /nfs/dbraw/zinc/13/20/03/640132003.db2.gz XJHLTGINPAYNGU-ITGUQSILSA-N 2 2 234.347 0.765 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCCn3ccnc3)C[C@H]21 ZINC000931279073 640132009 /nfs/dbraw/zinc/13/20/09/640132009.db2.gz XJHLTGINPAYNGU-ITGUQSILSA-N 2 2 234.347 0.765 20 0 BCADLP COC[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)OC ZINC000931281140 640132113 /nfs/dbraw/zinc/13/21/13/640132113.db2.gz OKJRVKTWPYLXRH-WYUUTHIRSA-N 2 2 228.336 0.140 20 0 BCADLP COC[C@@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)OC ZINC000931281140 640132117 /nfs/dbraw/zinc/13/21/17/640132117.db2.gz OKJRVKTWPYLXRH-WYUUTHIRSA-N 2 2 228.336 0.140 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CC[C@H]3CCOC3=O)C[C@H]21 ZINC000931279943 640134710 /nfs/dbraw/zinc/13/47/10/640134710.db2.gz UQWYEAZJAZQWCH-NNYUYHANSA-N 2 2 238.331 0.431 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCOC3=O)C[C@H]21 ZINC000931279943 640134715 /nfs/dbraw/zinc/13/47/15/640134715.db2.gz UQWYEAZJAZQWCH-NNYUYHANSA-N 2 2 238.331 0.431 20 0 BCADLP COCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931304703 640144699 /nfs/dbraw/zinc/14/46/99/640144699.db2.gz QAGMDIREFHMDRE-RYUDHWBXSA-N 2 2 212.337 0.906 20 0 BCADLP CC(=O)[C@](C)(O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931351923 640167590 /nfs/dbraw/zinc/16/75/90/640167590.db2.gz ASDOWJYIGZNHHR-CYBMUJFWSA-N 2 2 242.363 0.743 20 0 BCADLP COC(=O)CC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931508350 640238332 /nfs/dbraw/zinc/23/83/32/640238332.db2.gz GSYAPQWNJFHDGA-UHFFFAOYSA-N 2 2 235.287 0.585 20 0 BCADLP COC(=O)CC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931508350 640238337 /nfs/dbraw/zinc/23/83/37/640238337.db2.gz GSYAPQWNJFHDGA-UHFFFAOYSA-N 2 2 235.287 0.585 20 0 BCADLP COC[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2)OC ZINC000931717721 640336978 /nfs/dbraw/zinc/33/69/78/640336978.db2.gz BFOSAYNTGRCWSC-FRRDWIJNSA-N 2 2 242.363 0.816 20 0 BCADLP COC[C@@H](C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2)OC ZINC000931717721 640336979 /nfs/dbraw/zinc/33/69/79/640336979.db2.gz BFOSAYNTGRCWSC-FRRDWIJNSA-N 2 2 242.363 0.816 20 0 BCADLP COC[C@@H](C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2)OC ZINC000931717721 640336980 /nfs/dbraw/zinc/33/69/80/640336980.db2.gz BFOSAYNTGRCWSC-FRRDWIJNSA-N 2 2 242.363 0.816 20 0 BCADLP COC[C@@H](C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2)OC ZINC000931717721 640336983 /nfs/dbraw/zinc/33/69/83/640336983.db2.gz BFOSAYNTGRCWSC-FRRDWIJNSA-N 2 2 242.363 0.816 20 0 BCADLP CCC1([NH+]2CCC2)CC[NH+](C[C@@H](O)CO)CC1 ZINC000931752710 640350739 /nfs/dbraw/zinc/35/07/39/640350739.db2.gz NTCXNSYWFSTRLP-GFCCVEGCSA-N 2 2 242.363 0.290 20 0 BCADLP CS(=O)(=O)CC[NH2+]CCCCn1cc[nH+]c1 ZINC000045107017 640501173 /nfs/dbraw/zinc/50/11/73/640501173.db2.gz QFBVRXMMPMSQKD-UHFFFAOYSA-N 2 2 245.348 0.298 20 0 BCADLP CCCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001030160755 640644103 /nfs/dbraw/zinc/64/41/03/640644103.db2.gz GAZIACNDHKZQQE-LBPRGKRZSA-N 2 2 239.363 0.681 20 0 BCADLP CCCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001030160755 640644106 /nfs/dbraw/zinc/64/41/06/640644106.db2.gz GAZIACNDHKZQQE-LBPRGKRZSA-N 2 2 239.363 0.681 20 0 BCADLP CC[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001030301652 640739260 /nfs/dbraw/zinc/73/92/60/640739260.db2.gz LLPSGCGPXFYWSK-GFCCVEGCSA-N 2 2 239.363 0.680 20 0 BCADLP CC[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001030301652 640739264 /nfs/dbraw/zinc/73/92/64/640739264.db2.gz LLPSGCGPXFYWSK-GFCCVEGCSA-N 2 2 239.363 0.680 20 0 BCADLP CC(C)(C)NC(=[NH2+])NCC[NH+]1CCSCC1 ZINC000226757707 640792309 /nfs/dbraw/zinc/79/23/09/640792309.db2.gz YOTAGFXWPARVLK-UHFFFAOYSA-N 2 2 244.408 0.948 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000168938428 640833136 /nfs/dbraw/zinc/83/31/36/640833136.db2.gz UNBUIGDRYDGMFN-CSMHCCOUSA-N 2 2 226.242 0.721 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H](O)C(F)(F)F ZINC000168938428 640833137 /nfs/dbraw/zinc/83/31/37/640833137.db2.gz UNBUIGDRYDGMFN-CSMHCCOUSA-N 2 2 226.242 0.721 20 0 BCADLP COCC[N@H+](C)CCNC(=[NH2+])NC(C)(C)C ZINC000061399621 640959867 /nfs/dbraw/zinc/95/98/67/640959867.db2.gz OGVDVYYHYRZRLN-UHFFFAOYSA-N 2 2 230.356 0.477 20 0 BCADLP COCC[N@@H+](C)CCNC(=[NH2+])NC(C)(C)C ZINC000061399621 640959872 /nfs/dbraw/zinc/95/98/72/640959872.db2.gz OGVDVYYHYRZRLN-UHFFFAOYSA-N 2 2 230.356 0.477 20 0 BCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC12CC[NH+](CC1)C2 ZINC000913629689 641431822 /nfs/dbraw/zinc/43/18/22/641431822.db2.gz JAQZUZUHBZADCL-LLVKDONJSA-N 2 2 237.347 0.435 20 0 BCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC12CC[NH+](CC1)C2 ZINC000913629689 641431824 /nfs/dbraw/zinc/43/18/24/641431824.db2.gz JAQZUZUHBZADCL-LLVKDONJSA-N 2 2 237.347 0.435 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001030956803 641522735 /nfs/dbraw/zinc/52/27/35/641522735.db2.gz LILOLYJKHDPAPI-LLVKDONJSA-N 2 2 239.363 0.680 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001030956803 641522738 /nfs/dbraw/zinc/52/27/38/641522738.db2.gz LILOLYJKHDPAPI-LLVKDONJSA-N 2 2 239.363 0.680 20 0 BCADLP CC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001030963641 641526704 /nfs/dbraw/zinc/52/67/04/641526704.db2.gz PDCFLPTXWMWKOJ-GXSJLCMTSA-N 2 2 225.336 0.004 20 0 BCADLP CC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001030963641 641526710 /nfs/dbraw/zinc/52/67/10/641526710.db2.gz PDCFLPTXWMWKOJ-GXSJLCMTSA-N 2 2 225.336 0.004 20 0 BCADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COC ZINC000225485350 641708797 /nfs/dbraw/zinc/70/87/97/641708797.db2.gz NORMKBKFHORVOZ-WDEREUQCSA-N 2 2 216.325 0.068 20 0 BCADLP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@@H](O)COC ZINC000225485350 641708801 /nfs/dbraw/zinc/70/88/01/641708801.db2.gz NORMKBKFHORVOZ-WDEREUQCSA-N 2 2 216.325 0.068 20 0 BCADLP CC[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001031440136 642142851 /nfs/dbraw/zinc/14/28/51/642142851.db2.gz QOHRZXPDMFFYKD-GFCCVEGCSA-N 2 2 239.363 0.681 20 0 BCADLP CC[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001031440136 642142855 /nfs/dbraw/zinc/14/28/55/642142855.db2.gz QOHRZXPDMFFYKD-GFCCVEGCSA-N 2 2 239.363 0.681 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031584782 642335244 /nfs/dbraw/zinc/33/52/44/642335244.db2.gz KPOQXQXYRRAYJL-NSHDSACASA-N 2 2 243.326 0.098 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031584782 642335252 /nfs/dbraw/zinc/33/52/52/642335252.db2.gz KPOQXQXYRRAYJL-NSHDSACASA-N 2 2 243.326 0.098 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031584781 642335845 /nfs/dbraw/zinc/33/58/45/642335845.db2.gz KPOQXQXYRRAYJL-LLVKDONJSA-N 2 2 243.326 0.098 20 0 BCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031584781 642335850 /nfs/dbraw/zinc/33/58/50/642335850.db2.gz KPOQXQXYRRAYJL-LLVKDONJSA-N 2 2 243.326 0.098 20 0 BCADLP CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961889089 642709014 /nfs/dbraw/zinc/70/90/14/642709014.db2.gz OSDAHYTUXFEOKL-PJXYFTJBSA-N 2 2 248.330 0.407 20 0 BCADLP CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961889089 642709023 /nfs/dbraw/zinc/70/90/23/642709023.db2.gz OSDAHYTUXFEOKL-PJXYFTJBSA-N 2 2 248.330 0.407 20 0 BCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962150580 642716694 /nfs/dbraw/zinc/71/66/94/642716694.db2.gz UMVDTZUHWCSFMY-GDGBQDQQSA-N 2 2 234.303 0.019 20 0 BCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962150580 642716701 /nfs/dbraw/zinc/71/67/01/642716701.db2.gz UMVDTZUHWCSFMY-GDGBQDQQSA-N 2 2 234.303 0.019 20 0 BCADLP CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962144715 642717831 /nfs/dbraw/zinc/71/78/31/642717831.db2.gz ZCUCTMPXWRKXAX-IWIIMEHWSA-N 2 2 248.330 0.409 20 0 BCADLP CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962144715 642717837 /nfs/dbraw/zinc/71/78/37/642717837.db2.gz ZCUCTMPXWRKXAX-IWIIMEHWSA-N 2 2 248.330 0.409 20 0 BCADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@H](O)COC ZINC000068892342 642807576 /nfs/dbraw/zinc/80/75/76/642807576.db2.gz NORMKBKFHORVOZ-QWRGUYRKSA-N 2 2 216.325 0.068 20 0 BCADLP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@H](O)COC ZINC000068892342 642807580 /nfs/dbraw/zinc/80/75/80/642807580.db2.gz NORMKBKFHORVOZ-QWRGUYRKSA-N 2 2 216.325 0.068 20 0 BCADLP CCC[N@H+](C[C@H](O)COCC)[C@@H]1CC[NH2+]C1 ZINC000068953589 642814494 /nfs/dbraw/zinc/81/44/94/642814494.db2.gz CYPMDXBABPRYAD-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP CCC[N@@H+](C[C@H](O)COCC)[C@@H]1CC[NH2+]C1 ZINC000068953589 642814498 /nfs/dbraw/zinc/81/44/98/642814498.db2.gz CYPMDXBABPRYAD-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016399474 642958745 /nfs/dbraw/zinc/95/87/45/642958745.db2.gz LACOYSBKYBBJDL-NSHDSACASA-N 2 2 236.319 0.482 20 0 BCADLP CC(C)[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016399474 642958753 /nfs/dbraw/zinc/95/87/53/642958753.db2.gz LACOYSBKYBBJDL-NSHDSACASA-N 2 2 236.319 0.482 20 0 BCADLP CC(C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001019437215 643032129 /nfs/dbraw/zinc/03/21/29/643032129.db2.gz HYHRWFFYYGJCLD-JTQLQIEISA-N 2 2 236.319 0.551 20 0 BCADLP CC[N@H+](CCCn1cc[nH+]c1)CCC(N)=O ZINC000932478808 643304172 /nfs/dbraw/zinc/30/41/72/643304172.db2.gz KSQVVBOSXZHXNO-UHFFFAOYSA-N 2 2 224.308 0.471 20 0 BCADLP CC[N@@H+](CCCn1cc[nH+]c1)CCC(N)=O ZINC000932478808 643304180 /nfs/dbraw/zinc/30/41/80/643304180.db2.gz KSQVVBOSXZHXNO-UHFFFAOYSA-N 2 2 224.308 0.471 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)Cc1cnn(C)c1 ZINC000082560640 643343203 /nfs/dbraw/zinc/34/32/03/643343203.db2.gz WFBBVVZIVGBKMW-PWSUYJOCSA-N 2 2 222.336 0.707 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)Cc1cnn(C)c1 ZINC000082560640 643343206 /nfs/dbraw/zinc/34/32/06/643343206.db2.gz WFBBVVZIVGBKMW-PWSUYJOCSA-N 2 2 222.336 0.707 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000082681368 643367083 /nfs/dbraw/zinc/36/70/83/643367083.db2.gz AGZOSUWAGXSBJE-IUCAKERBSA-N 2 2 240.269 0.841 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000082681368 643367089 /nfs/dbraw/zinc/36/70/89/643367089.db2.gz AGZOSUWAGXSBJE-IUCAKERBSA-N 2 2 240.269 0.841 20 0 BCADLP CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000970340691 643416645 /nfs/dbraw/zinc/41/66/45/643416645.db2.gz FDAUAFNIOQCLDL-SECBINFHSA-N 2 2 222.292 0.163 20 0 BCADLP CC(C)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166083147 643455733 /nfs/dbraw/zinc/45/57/33/643455733.db2.gz CNRNPTHIFDFQBD-GHMZBOCLSA-N 2 2 200.326 0.999 20 0 BCADLP CC(C)[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000970859821 643577266 /nfs/dbraw/zinc/57/72/66/643577266.db2.gz UGADFIZXIPIKRZ-LLVKDONJSA-N 2 2 236.319 0.482 20 0 BCADLP CCS(=O)(=O)CC[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000049235311 643614560 /nfs/dbraw/zinc/61/45/60/643614560.db2.gz QBSBQWMYHRHHGR-JTQLQIEISA-N 2 2 245.348 0.296 20 0 BCADLP C[NH2+]C[C@@H]1CCCCN1Cc1c[nH+]cn1C ZINC000085170782 643689666 /nfs/dbraw/zinc/68/96/66/643689666.db2.gz NECLOHJVNGJUBC-NSHDSACASA-N 2 2 222.336 0.994 20 0 BCADLP CC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001000313736 643774318 /nfs/dbraw/zinc/77/43/18/643774318.db2.gz TVHXNDNBFWLIPV-SNVBAGLBSA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000922159915 643880396 /nfs/dbraw/zinc/88/03/96/643880396.db2.gz RCAJRWCKGKTJPI-JTQLQIEISA-N 2 2 222.292 0.094 20 0 BCADLP CC[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000922159915 643880400 /nfs/dbraw/zinc/88/04/00/643880400.db2.gz RCAJRWCKGKTJPI-JTQLQIEISA-N 2 2 222.292 0.094 20 0 BCADLP CCO[C@@H](C[NH2+][C@H]1CCOC1)C[NH+](C)C ZINC000922757559 644088409 /nfs/dbraw/zinc/08/84/09/644088409.db2.gz HYYPPDMDAWDENF-QWRGUYRKSA-N 2 2 216.325 0.332 20 0 BCADLP CC(C)OCC[C@H](O)C[N@H+](C)[C@@H](C)C[NH3+] ZINC000923291510 644316856 /nfs/dbraw/zinc/31/68/56/644316856.db2.gz SYBZSSHLJLZJAV-QWRGUYRKSA-N 2 2 218.341 0.441 20 0 BCADLP CC(C)OCC[C@H](O)C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000923291510 644316864 /nfs/dbraw/zinc/31/68/64/644316864.db2.gz SYBZSSHLJLZJAV-QWRGUYRKSA-N 2 2 218.341 0.441 20 0 BCADLP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000923277030 644309618 /nfs/dbraw/zinc/30/96/18/644309618.db2.gz ATKQUYBXOAFJSJ-MNOVXSKESA-N 2 2 216.325 0.195 20 0 BCADLP CC(C)OCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000923277030 644309620 /nfs/dbraw/zinc/30/96/20/644309620.db2.gz ATKQUYBXOAFJSJ-MNOVXSKESA-N 2 2 216.325 0.195 20 0 BCADLP CSC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000923282396 644314735 /nfs/dbraw/zinc/31/47/35/644314735.db2.gz VILVTEGKYBAQPA-ZJUUUORDSA-N 2 2 218.366 0.524 20 0 BCADLP CSC[C@@H](O)C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000923282396 644314743 /nfs/dbraw/zinc/31/47/43/644314743.db2.gz VILVTEGKYBAQPA-ZJUUUORDSA-N 2 2 218.366 0.524 20 0 BCADLP COC(=O)c1cncc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000923282217 644316154 /nfs/dbraw/zinc/31/61/54/644316154.db2.gz SWEFYLXQDWZAMT-JTQLQIEISA-N 2 2 249.314 0.649 20 0 BCADLP COC(=O)c1cncc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000923282217 644316158 /nfs/dbraw/zinc/31/61/58/644316158.db2.gz SWEFYLXQDWZAMT-JTQLQIEISA-N 2 2 249.314 0.649 20 0 BCADLP CCOCC[C@@H](O)C[N@H+](C)[C@@H](C)C[NH3+] ZINC000923289274 644322443 /nfs/dbraw/zinc/32/24/43/644322443.db2.gz GLWSGFGFXXXLHS-VHSXEESVSA-N 2 2 204.314 0.053 20 0 BCADLP CCOCC[C@@H](O)C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000923289274 644322449 /nfs/dbraw/zinc/32/24/49/644322449.db2.gz GLWSGFGFXXXLHS-VHSXEESVSA-N 2 2 204.314 0.053 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923288724 644322960 /nfs/dbraw/zinc/32/29/60/644322960.db2.gz BZAYCYNDUHIDIC-LLVKDONJSA-N 3 2 211.353 0.670 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923288724 644322963 /nfs/dbraw/zinc/32/29/63/644322963.db2.gz BZAYCYNDUHIDIC-LLVKDONJSA-N 3 2 211.353 0.670 20 0 BCADLP CC(C)COC[C@H](O)C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000923293037 644330251 /nfs/dbraw/zinc/33/02/51/644330251.db2.gz PDXFMSZNGRKWQO-NWDGAFQWSA-N 2 2 230.352 0.443 20 0 BCADLP CC(C)COC[C@H](O)C[N@H+]1CCC[C@H]1C[NH3+] ZINC000923293037 644330255 /nfs/dbraw/zinc/33/02/55/644330255.db2.gz PDXFMSZNGRKWQO-NWDGAFQWSA-N 2 2 230.352 0.443 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000923292597 644330613 /nfs/dbraw/zinc/33/06/13/644330613.db2.gz ZKFWJCBKEGGDSH-DGCLKSJQSA-N 2 2 222.332 0.869 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000923292597 644330617 /nfs/dbraw/zinc/33/06/17/644330617.db2.gz ZKFWJCBKEGGDSH-DGCLKSJQSA-N 2 2 222.332 0.869 20 0 BCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H](O)C(F)(F)F ZINC000923295548 644331549 /nfs/dbraw/zinc/33/15/49/644331549.db2.gz CLCMOYONHGEHHT-JGVFFNPUSA-N 2 2 228.258 0.873 20 0 BCADLP CCOCC[C@@H](O)C[N@@H+]1CCC[C@H]1C[NH2+]C ZINC000923295445 644331565 /nfs/dbraw/zinc/33/15/65/644331565.db2.gz WSTCNUNCKRHODE-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP CCOCC[C@@H](O)C[N@H+]1CCC[C@H]1C[NH2+]C ZINC000923295445 644331569 /nfs/dbraw/zinc/33/15/69/644331569.db2.gz WSTCNUNCKRHODE-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923294591 644333240 /nfs/dbraw/zinc/33/32/40/644333240.db2.gz KEYQKDMGEJPASZ-RYUDHWBXSA-N 3 2 239.363 0.049 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923294591 644333243 /nfs/dbraw/zinc/33/32/43/644333243.db2.gz KEYQKDMGEJPASZ-RYUDHWBXSA-N 3 2 239.363 0.049 20 0 BCADLP CCOCC[C@@H](O)C[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000923329397 644349279 /nfs/dbraw/zinc/34/92/79/644349279.db2.gz IFSBBBYTBAHWTC-QWHCGFSZSA-N 2 2 242.363 0.600 20 0 BCADLP CCOCC[C@@H](O)C[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000923329397 644349285 /nfs/dbraw/zinc/34/92/85/644349285.db2.gz IFSBBBYTBAHWTC-QWHCGFSZSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1[NH3+] ZINC000923365535 644376098 /nfs/dbraw/zinc/37/60/98/644376098.db2.gz FSFPQLQTAVHQPU-BNOWGMLFSA-N 2 2 234.343 0.869 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1[NH3+] ZINC000923365535 644376102 /nfs/dbraw/zinc/37/61/02/644376102.db2.gz FSFPQLQTAVHQPU-BNOWGMLFSA-N 2 2 234.343 0.869 20 0 BCADLP CCOCCOCC[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000923367123 644377075 /nfs/dbraw/zinc/37/70/75/644377075.db2.gz SHBDTFUOBWAXPQ-MNOVXSKESA-N 2 2 216.325 0.319 20 0 BCADLP CCOCCOCC[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000923367123 644377081 /nfs/dbraw/zinc/37/70/81/644377081.db2.gz SHBDTFUOBWAXPQ-MNOVXSKESA-N 2 2 216.325 0.319 20 0 BCADLP CC(C)OCC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923366448 644377096 /nfs/dbraw/zinc/37/70/96/644377096.db2.gz MPUBIPWVORBDHZ-GRYCIOLGSA-N 2 2 230.352 0.441 20 0 BCADLP CC(C)OCC[C@H](O)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923366448 644377103 /nfs/dbraw/zinc/37/71/03/644377103.db2.gz MPUBIPWVORBDHZ-GRYCIOLGSA-N 2 2 230.352 0.441 20 0 BCADLP CCOCCOCC[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923367121 644379611 /nfs/dbraw/zinc/37/96/11/644379611.db2.gz SHBDTFUOBWAXPQ-GHMZBOCLSA-N 2 2 216.325 0.319 20 0 BCADLP CCOCCOCC[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923367121 644379617 /nfs/dbraw/zinc/37/96/17/644379617.db2.gz SHBDTFUOBWAXPQ-GHMZBOCLSA-N 2 2 216.325 0.319 20 0 BCADLP CC(C)COC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923369136 644381217 /nfs/dbraw/zinc/38/12/17/644381217.db2.gz WHFXNSASLHOHIE-TUAOUCFPSA-N 2 2 230.352 0.441 20 0 BCADLP CC(C)COC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923369136 644381224 /nfs/dbraw/zinc/38/12/24/644381224.db2.gz WHFXNSASLHOHIE-TUAOUCFPSA-N 2 2 230.352 0.441 20 0 BCADLP C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1(C[NH3+])CCC1 ZINC000923362890 644385833 /nfs/dbraw/zinc/38/58/33/644385833.db2.gz QFZCZWJRDKGMPT-LLVKDONJSA-N 3 2 239.363 0.178 20 0 BCADLP C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1(C[NH3+])CCC1 ZINC000923362890 644385838 /nfs/dbraw/zinc/38/58/38/644385838.db2.gz QFZCZWJRDKGMPT-LLVKDONJSA-N 3 2 239.363 0.178 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000923361309 644385929 /nfs/dbraw/zinc/38/59/29/644385929.db2.gz OODILSAWHGDLGM-UPJWGTAASA-N 2 2 242.363 0.456 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000923361309 644385932 /nfs/dbraw/zinc/38/59/32/644385932.db2.gz OODILSAWHGDLGM-UPJWGTAASA-N 2 2 242.363 0.456 20 0 BCADLP C[N@H+](CC[NH3+])C[C@H](O)Cc1ccccc1 ZINC000923375279 644389649 /nfs/dbraw/zinc/38/96/49/644389649.db2.gz IFVRJBSWAGZZPX-GFCCVEGCSA-N 2 2 208.305 0.481 20 0 BCADLP C[N@@H+](CC[NH3+])C[C@H](O)Cc1ccccc1 ZINC000923375279 644389655 /nfs/dbraw/zinc/38/96/55/644389655.db2.gz IFVRJBSWAGZZPX-GFCCVEGCSA-N 2 2 208.305 0.481 20 0 BCADLP CC(C)COC[C@H](O)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000923390048 644395590 /nfs/dbraw/zinc/39/55/90/644395590.db2.gz FCEDAHJRRJMART-OTTFEQOBSA-N 2 2 242.363 0.443 20 0 BCADLP CC(C)COC[C@H](O)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000923390048 644395594 /nfs/dbraw/zinc/39/55/94/644395594.db2.gz FCEDAHJRRJMART-OTTFEQOBSA-N 2 2 242.363 0.443 20 0 BCADLP CCOCC[C@@H](O)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000923391619 644396774 /nfs/dbraw/zinc/39/67/74/644396774.db2.gz NLLIFCWXNOXZKL-MOENNCHZSA-N 2 2 228.336 0.197 20 0 BCADLP CCOCC[C@@H](O)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000923391619 644396776 /nfs/dbraw/zinc/39/67/76/644396776.db2.gz NLLIFCWXNOXZKL-MOENNCHZSA-N 2 2 228.336 0.197 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000923392480 644399347 /nfs/dbraw/zinc/39/93/47/644399347.db2.gz WPOMTUJWTOORHL-OTTFEQOBSA-N 2 2 242.363 0.586 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000923392480 644399349 /nfs/dbraw/zinc/39/93/49/644399349.db2.gz WPOMTUJWTOORHL-OTTFEQOBSA-N 2 2 242.363 0.586 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923393458 644402427 /nfs/dbraw/zinc/40/24/27/644402427.db2.gz QWLUHSJGCOTODA-MNOVXSKESA-N 3 2 211.353 0.940 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC[NH2+]C1CC1 ZINC000923393458 644402430 /nfs/dbraw/zinc/40/24/30/644402430.db2.gz QWLUHSJGCOTODA-MNOVXSKESA-N 3 2 211.353 0.940 20 0 BCADLP CCOCC[C@H](O)C[N@H+](CC)[C@@H]1CC[NH2+]C1 ZINC000923426590 644422280 /nfs/dbraw/zinc/42/22/80/644422280.db2.gz TYBOYYWIUDUHBH-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP CCOCC[C@H](O)C[N@@H+](CC)[C@@H]1CC[NH2+]C1 ZINC000923426590 644422283 /nfs/dbraw/zinc/42/22/83/644422283.db2.gz TYBOYYWIUDUHBH-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP CCOCC[C@@H](O)C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000923432018 644425492 /nfs/dbraw/zinc/42/54/92/644425492.db2.gz ZSURKMWIXDHLGO-GHMZBOCLSA-N 2 2 230.352 0.443 20 0 BCADLP CCOCC[C@@H](O)C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000923432018 644425494 /nfs/dbraw/zinc/42/54/94/644425494.db2.gz ZSURKMWIXDHLGO-GHMZBOCLSA-N 2 2 230.352 0.443 20 0 BCADLP FC1(F)CC[C@H](CN2CC[NH2+]CC[NH2+]CC2)C1 ZINC000923459804 644438367 /nfs/dbraw/zinc/43/83/67/644438367.db2.gz HARUZRNJIZSFQU-NSHDSACASA-N 2 2 247.333 0.917 20 0 BCADLP FC1(F)CC[C@H](C[N@@H+]2CCNCC[NH2+]CC2)C1 ZINC000923459804 644438373 /nfs/dbraw/zinc/43/83/73/644438373.db2.gz HARUZRNJIZSFQU-NSHDSACASA-N 2 2 247.333 0.917 20 0 BCADLP FC1(F)CC[C@H](C[N@H+]2CCNCC[NH2+]CC2)C1 ZINC000923459804 644438377 /nfs/dbraw/zinc/43/83/77/644438377.db2.gz HARUZRNJIZSFQU-NSHDSACASA-N 2 2 247.333 0.917 20 0 BCADLP C(C[N@@H+]1CCNCC[NH2+]CC1)[C@H]1CCCCO1 ZINC000923460759 644446271 /nfs/dbraw/zinc/44/62/71/644446271.db2.gz QQOAWQDBLWXFIT-CYBMUJFWSA-N 2 2 241.379 0.440 20 0 BCADLP C(C[N@H+]1CCNCC[NH2+]CC1)[C@H]1CCCCO1 ZINC000923460759 644446278 /nfs/dbraw/zinc/44/62/78/644446278.db2.gz QQOAWQDBLWXFIT-CYBMUJFWSA-N 2 2 241.379 0.440 20 0 BCADLP C(CN1CC[NH2+]CC[NH2+]CC1)[C@H]1CCCCO1 ZINC000923460759 644446285 /nfs/dbraw/zinc/44/62/85/644446285.db2.gz QQOAWQDBLWXFIT-CYBMUJFWSA-N 2 2 241.379 0.440 20 0 BCADLP CC1(C)CO[C@@H](C[N@@H+]2CCC[C@]([NH3+])(CO)C2)C1 ZINC000923472909 644456452 /nfs/dbraw/zinc/45/64/52/644456452.db2.gz JZGNTAVFBFWGKU-DGCLKSJQSA-N 2 2 242.363 0.587 20 0 BCADLP CC1(C)CO[C@@H](C[N@H+]2CCC[C@]([NH3+])(CO)C2)C1 ZINC000923472909 644456456 /nfs/dbraw/zinc/45/64/56/644456456.db2.gz JZGNTAVFBFWGKU-DGCLKSJQSA-N 2 2 242.363 0.587 20 0 BCADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CC[C@H]1C[NH3+] ZINC000923491537 644467469 /nfs/dbraw/zinc/46/74/69/644467469.db2.gz SQUZYMMGRMRLDD-NEPJUHHUSA-N 3 2 236.363 0.879 20 0 BCADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CC[C@H]1C[NH3+] ZINC000923491537 644467475 /nfs/dbraw/zinc/46/74/75/644467475.db2.gz SQUZYMMGRMRLDD-NEPJUHHUSA-N 3 2 236.363 0.879 20 0 BCADLP Cc1cnc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC000923517030 644480302 /nfs/dbraw/zinc/48/03/02/644480302.db2.gz DHVVNXNETPKITJ-NWDGAFQWSA-N 2 2 232.331 0.826 20 0 BCADLP Cc1cnc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC000923517030 644480312 /nfs/dbraw/zinc/48/03/12/644480312.db2.gz DHVVNXNETPKITJ-NWDGAFQWSA-N 2 2 232.331 0.826 20 0 BCADLP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)nn1C ZINC000923515793 644481485 /nfs/dbraw/zinc/48/14/85/644481485.db2.gz MHPSDSJYUFHZFO-NWDGAFQWSA-N 2 2 234.347 0.770 20 0 BCADLP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)nn1C ZINC000923515793 644481489 /nfs/dbraw/zinc/48/14/89/644481489.db2.gz MHPSDSJYUFHZFO-NWDGAFQWSA-N 2 2 234.347 0.770 20 0 BCADLP OC[C@@H]1CCCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000923531061 644487031 /nfs/dbraw/zinc/48/70/31/644487031.db2.gz OMUTYHHLKANWMR-RYUDHWBXSA-N 2 2 228.336 0.212 20 0 BCADLP OC[C@@H]1CCCCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000923531061 644487033 /nfs/dbraw/zinc/48/70/33/644487033.db2.gz OMUTYHHLKANWMR-RYUDHWBXSA-N 2 2 228.336 0.212 20 0 BCADLP COC[C@@H](C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2)OC ZINC000923533706 644490288 /nfs/dbraw/zinc/49/02/88/644490288.db2.gz NPUCLBRLMKQZRO-OLZOCXBDSA-N 2 2 242.363 0.866 20 0 BCADLP COC[C@@H](C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)OC ZINC000923533706 644490292 /nfs/dbraw/zinc/49/02/92/644490292.db2.gz NPUCLBRLMKQZRO-OLZOCXBDSA-N 2 2 242.363 0.866 20 0 BCADLP CCn1c[nH+]c2c1CCN(CCC[NH2+]C)C2 ZINC000923558568 644497793 /nfs/dbraw/zinc/49/77/93/644497793.db2.gz SQBRNOHGNGGOHG-UHFFFAOYSA-N 2 2 222.336 0.871 20 0 BCADLP Cn1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091666530 644635140 /nfs/dbraw/zinc/63/51/40/644635140.db2.gz STDVDGJRLWAZEO-KGLIPLIRSA-N 2 2 249.358 0.978 20 0 BCADLP Cn1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000091666530 644635143 /nfs/dbraw/zinc/63/51/43/644635143.db2.gz STDVDGJRLWAZEO-KGLIPLIRSA-N 2 2 249.358 0.978 20 0 BCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341636 644716502 /nfs/dbraw/zinc/71/65/02/644716502.db2.gz VXVARSVZGKEONN-WOPDTQHZSA-N 2 2 241.379 0.816 20 0 BCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341636 644716508 /nfs/dbraw/zinc/71/65/08/644716508.db2.gz VXVARSVZGKEONN-WOPDTQHZSA-N 2 2 241.379 0.816 20 0 BCADLP CCC[N@H+](C[C@H](O)COC)[C@H]1CC[NH2+]C1 ZINC000250125373 644747433 /nfs/dbraw/zinc/74/74/33/644747433.db2.gz ZBVJDNOIOVAXMP-QWRGUYRKSA-N 2 2 216.325 0.068 20 0 BCADLP CCC[N@@H+](C[C@H](O)COC)[C@H]1CC[NH2+]C1 ZINC000250125373 644747444 /nfs/dbraw/zinc/74/74/44/644747444.db2.gz ZBVJDNOIOVAXMP-QWRGUYRKSA-N 2 2 216.325 0.068 20 0 BCADLP C[C@H]1CC[N@H+](Cc2nccn2C)C[C@H]1C[NH3+] ZINC000253191570 644943964 /nfs/dbraw/zinc/94/39/64/644943964.db2.gz MHGFBGAHTRHPMT-WDEREUQCSA-N 2 2 222.336 0.837 20 0 BCADLP C[C@H]1CC[N@@H+](Cc2nccn2C)C[C@H]1C[NH3+] ZINC000253191570 644943970 /nfs/dbraw/zinc/94/39/70/644943970.db2.gz MHGFBGAHTRHPMT-WDEREUQCSA-N 2 2 222.336 0.837 20 0 BCADLP CC[NH2+]CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000844188280 645317413 /nfs/dbraw/zinc/31/74/13/645317413.db2.gz XJMQQTKKPHRZAF-UHFFFAOYSA-N 2 2 218.260 0.882 20 0 BCADLP C[C@H]([NH3+])C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000844187096 645317545 /nfs/dbraw/zinc/31/75/45/645317545.db2.gz AQVWDFUBFOCQJE-QMMMGPOBSA-N 2 2 249.305 0.522 20 0 BCADLP C[C@H]([NH3+])C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000844187096 645317550 /nfs/dbraw/zinc/31/75/50/645317550.db2.gz AQVWDFUBFOCQJE-QMMMGPOBSA-N 2 2 249.305 0.522 20 0 BCADLP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000926771348 645415886 /nfs/dbraw/zinc/41/58/86/645415886.db2.gz QPJKTSWFJIUQJT-SRVKXCTJSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000926771348 645415894 /nfs/dbraw/zinc/41/58/94/645415894.db2.gz QPJKTSWFJIUQJT-SRVKXCTJSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@H](CCO)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927105545 645549449 /nfs/dbraw/zinc/54/94/49/645549449.db2.gz SIDMGJPLIPHCHY-DGCLKSJQSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@H](CCO)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927105545 645549460 /nfs/dbraw/zinc/54/94/60/645549460.db2.gz SIDMGJPLIPHCHY-DGCLKSJQSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000928430935 645746543 /nfs/dbraw/zinc/74/65/43/645746543.db2.gz AMJVLYJJUCDOHP-VHSXEESVSA-N 2 2 222.292 0.092 20 0 BCADLP C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC000928430935 645746548 /nfs/dbraw/zinc/74/65/48/645746548.db2.gz AMJVLYJJUCDOHP-VHSXEESVSA-N 2 2 222.292 0.092 20 0 BCADLP C[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1C ZINC000928445766 645770940 /nfs/dbraw/zinc/77/09/40/645770940.db2.gz FFONAKCXGNJJKN-MNOVXSKESA-N 2 2 236.319 0.482 20 0 BCADLP C[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1C ZINC000928445766 645770943 /nfs/dbraw/zinc/77/09/43/645770943.db2.gz FFONAKCXGNJJKN-MNOVXSKESA-N 2 2 236.319 0.482 20 0 BCADLP C[NH+](C)C1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000929265167 646044643 /nfs/dbraw/zinc/04/46/43/646044643.db2.gz ZIVWZMDQDFBMJI-ZDUSSCGKSA-N 2 2 242.363 0.818 20 0 BCADLP C[NH+](C)C1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000929265166 646046328 /nfs/dbraw/zinc/04/63/28/646046328.db2.gz ZIVWZMDQDFBMJI-CYBMUJFWSA-N 2 2 242.363 0.818 20 0 BCADLP C[C@H](O)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924528193 646047968 /nfs/dbraw/zinc/04/79/68/646047968.db2.gz MPSWVEDHTOXAME-TUAOUCFPSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@H](O)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924528193 646047970 /nfs/dbraw/zinc/04/79/70/646047970.db2.gz MPSWVEDHTOXAME-TUAOUCFPSA-N 2 2 212.337 0.974 20 0 BCADLP c1cn(CC[NH2+][C@H]2CN3C[C@@H]2CCC3)c[nH+]1 ZINC000924552924 646066526 /nfs/dbraw/zinc/06/65/26/646066526.db2.gz OQBNFJKDQDCOPP-RYUDHWBXSA-N 2 2 220.320 0.567 20 0 BCADLP CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000724878867 711526887 /nfs/dbraw/zinc/52/68/87/711526887.db2.gz YRHRZWGLZILZGI-DDHJBXDOSA-N 2 2 228.336 0.520 20 0 BCADLP C[C@H](C[NH2+][C@@H]1CCOC12CCOCC2)[NH+](C)C ZINC000924957807 646141808 /nfs/dbraw/zinc/14/18/08/646141808.db2.gz NTRWQNKMQZDZQM-VXGBXAGGSA-N 2 2 242.363 0.864 20 0 BCADLP C[C@@H](C[NH2+][C@@H]1CCOC12CCOCC2)[NH+](C)C ZINC000924957805 646142169 /nfs/dbraw/zinc/14/21/69/646142169.db2.gz NTRWQNKMQZDZQM-NWDGAFQWSA-N 2 2 242.363 0.864 20 0 BCADLP C[C@@H](C[NH2+][C@H]1CCOC12CCOCC2)[NH+](C)C ZINC000924957806 646142677 /nfs/dbraw/zinc/14/26/77/646142677.db2.gz NTRWQNKMQZDZQM-RYUDHWBXSA-N 2 2 242.363 0.864 20 0 BCADLP CS[C@H](CO)[C@@H](C)[NH2+][C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000925116672 646182112 /nfs/dbraw/zinc/18/21/12/646182112.db2.gz XXEANLLOXGIJIN-NOOOWODRSA-N 2 2 244.404 0.783 20 0 BCADLP CS[C@H](CO)[C@@H](C)[NH2+][C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000925116672 646182117 /nfs/dbraw/zinc/18/21/17/646182117.db2.gz XXEANLLOXGIJIN-NOOOWODRSA-N 2 2 244.404 0.783 20 0 BCADLP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925506493 646306428 /nfs/dbraw/zinc/30/64/28/646306428.db2.gz RPTUXXMTAKCXCK-GHMZBOCLSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000925520764 646312498 /nfs/dbraw/zinc/31/24/98/646312498.db2.gz YBOFSZWOFWEKHD-DLOVCJGASA-N 2 2 238.335 0.184 20 0 BCADLP COCCOCCCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925539796 646322085 /nfs/dbraw/zinc/32/20/85/646322085.db2.gz DBOGYHNGCONAOX-LBPRGKRZSA-N 2 2 246.351 0.008 20 0 BCADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCn3ncnc32)C12CCC2 ZINC000925542680 646324783 /nfs/dbraw/zinc/32/47/83/646324783.db2.gz QSCHKIQSKBAYBA-AXFHLTTASA-N 2 2 247.346 0.973 20 0 BCADLP C[C@H](C[C@H]1CCOC1)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925554032 646332024 /nfs/dbraw/zinc/33/20/24/646332024.db2.gz UUFRJZZTSOVYAN-IJLUTSLNSA-N 2 2 228.336 0.380 20 0 BCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)[C@H](C)O ZINC000929814360 646334001 /nfs/dbraw/zinc/33/40/01/646334001.db2.gz NPXOEFUSXFMPID-RNJOBUHISA-N 2 2 242.363 0.287 20 0 BCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)[C@H](C)O ZINC000929814360 646334005 /nfs/dbraw/zinc/33/40/05/646334005.db2.gz NPXOEFUSXFMPID-RNJOBUHISA-N 2 2 242.363 0.287 20 0 BCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)[C@H](C)O ZINC000929814360 646334008 /nfs/dbraw/zinc/33/40/08/646334008.db2.gz NPXOEFUSXFMPID-RNJOBUHISA-N 2 2 242.363 0.287 20 0 BCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)[C@H](C)O ZINC000929814360 646334013 /nfs/dbraw/zinc/33/40/13/646334013.db2.gz NPXOEFUSXFMPID-RNJOBUHISA-N 2 2 242.363 0.287 20 0 BCADLP C1C[C@@H]2[C@@H](CCC[C@@H]2[NH2+][C@@H]2C[NH2+]CCOC2)O1 ZINC000925558122 646334243 /nfs/dbraw/zinc/33/42/43/646334243.db2.gz FNKRIQKOBDJXCM-MROQNXINSA-N 2 2 240.347 0.522 20 0 BCADLP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925561613 646336075 /nfs/dbraw/zinc/33/60/75/646336075.db2.gz RAEIMMKBQDDUKM-WDEREUQCSA-N 2 2 239.363 0.727 20 0 BCADLP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925564068 646337117 /nfs/dbraw/zinc/33/71/17/646337117.db2.gz QURHRDGONHAUEL-GARJFASQSA-N 2 2 200.326 0.999 20 0 BCADLP CCc1nc(CC[NH2+][C@H]2CCC[NH2+][C@H]2C)no1 ZINC000925590232 646348548 /nfs/dbraw/zinc/34/85/48/646348548.db2.gz OWKMNXZMPAFHDX-UWVGGRQHSA-N 2 2 238.335 0.905 20 0 BCADLP CC(C)COC[C@H](O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925612108 646360708 /nfs/dbraw/zinc/36/07/08/646360708.db2.gz ISLWDSDSINLNNF-NEPJUHHUSA-N 2 2 244.379 0.750 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CCOC2)CCO1 ZINC000925629312 646375007 /nfs/dbraw/zinc/37/50/07/646375007.db2.gz JBVZVEUXBUBYHW-GMTAPVOTSA-N 2 2 214.309 0.132 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[NH2+]CCOC2)C[C@H](C)O1 ZINC000925632716 646376811 /nfs/dbraw/zinc/37/68/11/646376811.db2.gz XWWDQPBHXDHFTK-USZNOCQGSA-N 2 2 228.336 0.520 20 0 BCADLP COC[C@@H](O)C[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925668781 646401418 /nfs/dbraw/zinc/40/14/18/646401418.db2.gz ZWHBTHIWHYZRLQ-WCFLWFBJSA-N 2 2 238.331 0.672 20 0 BCADLP C([NH2+][C@H]1C[NH2+]CCOC1)[C@H]1CCCSC1 ZINC000925673728 646403639 /nfs/dbraw/zinc/40/36/39/646403639.db2.gz PFFFEBKFCWOCFN-MNOVXSKESA-N 2 2 230.377 0.708 20 0 BCADLP C([NH2+][C@@H]1C[NH2+]CCOC1)[C@H]1CC12CCOCC2 ZINC000925681247 646409564 /nfs/dbraw/zinc/40/95/64/646409564.db2.gz MVDTWOOTXWKWFK-VXGBXAGGSA-N 2 2 240.347 0.381 20 0 BCADLP COCC1(CC[NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925705559 646431011 /nfs/dbraw/zinc/43/10/11/646431011.db2.gz KZDJFZHZBDZYTO-LLVKDONJSA-N 2 2 228.336 0.381 20 0 BCADLP COCC1(CC[NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925705561 646431048 /nfs/dbraw/zinc/43/10/48/646431048.db2.gz KZDJFZHZBDZYTO-NSHDSACASA-N 2 2 228.336 0.381 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000925719029 646438074 /nfs/dbraw/zinc/43/80/74/646438074.db2.gz PWGYQVRGVHXNSE-QWRGUYRKSA-N 3 2 215.341 0.082 20 0 BCADLP Cc1[nH]c(C[N@H+]2C[C@@H](O)C[C@@H]2C)c(C)[nH+]1 ZINC000930124792 646438975 /nfs/dbraw/zinc/43/89/75/646438975.db2.gz KCANODHGROQBHM-XVKPBYJWSA-N 2 2 209.293 0.982 20 0 BCADLP Cc1[nH]c(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c(C)[nH+]1 ZINC000930124792 646438976 /nfs/dbraw/zinc/43/89/76/646438976.db2.gz KCANODHGROQBHM-XVKPBYJWSA-N 2 2 209.293 0.982 20 0 BCADLP CCC1([NH3+])CC[NH+]([C@H](C)C2C[NH2+]C2)CC1 ZINC000925760878 646467097 /nfs/dbraw/zinc/46/70/97/646467097.db2.gz QYSWGJHWCAMXEC-SNVBAGLBSA-N 3 2 211.353 0.798 20 0 BCADLP CC[C@H]([NH2+][C@H]1C[NH2+]CCOC1)[C@@H]1CCCOC1 ZINC000925768923 646471440 /nfs/dbraw/zinc/47/14/40/646471440.db2.gz MMNJQZHPURXDLA-AGIUHOORSA-N 2 2 242.363 0.770 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(=O)[nH]n1 ZINC000925784692 646481275 /nfs/dbraw/zinc/48/12/75/646481275.db2.gz KBYRMFWYNBGZKB-UTLUCORTSA-N 2 2 236.319 0.688 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925834589 646503234 /nfs/dbraw/zinc/50/32/34/646503234.db2.gz ZBWYXMFRWFQGNV-VEGXAWMVSA-N 2 2 240.347 0.378 20 0 BCADLP C(CC[NH2+][C@H]1CC[NH2+]C1)CCN1CC[NH2+]CC1 ZINC000925840703 646506830 /nfs/dbraw/zinc/50/68/30/646506830.db2.gz KMPGKCTZVJFTJK-ZDUSSCGKSA-N 3 2 240.395 0.013 20 0 BCADLP C1C[C@H]2C[C@H]([NH2+][C@@H]3CNOC3)CC[N@@H+]2C1 ZINC000925863944 646516878 /nfs/dbraw/zinc/51/68/78/646516878.db2.gz CDOYFWYNQUASSM-MXWKQRLJSA-N 2 2 211.309 0.106 20 0 BCADLP C1C[C@H]2C[C@H]([NH2+][C@@H]3CNOC3)CC[N@H+]2C1 ZINC000925863944 646516881 /nfs/dbraw/zinc/51/68/81/646516881.db2.gz CDOYFWYNQUASSM-MXWKQRLJSA-N 2 2 211.309 0.106 20 0 BCADLP Cc1ccc(NCC[NH2+][C@@H]2CC[NH2+]C2)nc1 ZINC000925878376 646527755 /nfs/dbraw/zinc/52/77/55/646527755.db2.gz UDGDYZUZEDBEDQ-LLVKDONJSA-N 2 2 220.320 0.753 20 0 BCADLP C[C@H]([NH2+]C[C@H](O)c1ccnn1C)[C@H]1CCC[NH2+]1 ZINC000925890743 646533869 /nfs/dbraw/zinc/53/38/69/646533869.db2.gz QULPRYXNBITTKK-UMNHJUIQSA-N 2 2 238.335 0.184 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H](O)c1ccnn1C ZINC000925890462 646534068 /nfs/dbraw/zinc/53/40/68/646534068.db2.gz PMWBJSSQIYMMHO-NHCYSSNCSA-N 2 2 238.335 0.184 20 0 BCADLP C[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)[C@@H]1CCC[NH2+]1 ZINC000925890737 646534149 /nfs/dbraw/zinc/53/41/49/646534149.db2.gz QULPRYXNBITTKK-JFGNBEQYSA-N 2 2 238.335 0.184 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCc2nnn(C)c2C1 ZINC000925892662 646534985 /nfs/dbraw/zinc/53/49/85/646534985.db2.gz DFBZJYROSQSWDD-JFGNBEQYSA-N 2 2 249.362 0.260 20 0 BCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccns1 ZINC000926174884 646589524 /nfs/dbraw/zinc/58/95/24/646589524.db2.gz STUMFTDFZVWMTN-MWLCHTKSSA-N 2 2 241.360 0.860 20 0 BCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccns1 ZINC000926174884 646589528 /nfs/dbraw/zinc/58/95/28/646589528.db2.gz STUMFTDFZVWMTN-MWLCHTKSSA-N 2 2 241.360 0.860 20 0 BCADLP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000926223024 646597094 /nfs/dbraw/zinc/59/70/94/646597094.db2.gz AGZRIKSROLGKIY-MXWKQRLJSA-N 2 2 221.304 0.822 20 0 BCADLP Cn1ncc(C[NH2+]C2[C@@H]3CC[C@H]2C[N@@H+](C)C3)n1 ZINC000926421834 646634423 /nfs/dbraw/zinc/63/44/23/646634423.db2.gz DYACZFRWVIDSGI-DHHPTOIESA-N 2 2 235.335 0.245 20 0 BCADLP Cn1ncc(C[NH2+]C2[C@@H]3CC[C@H]2C[N@H+](C)C3)n1 ZINC000926421834 646634426 /nfs/dbraw/zinc/63/44/26/646634426.db2.gz DYACZFRWVIDSGI-DHHPTOIESA-N 2 2 235.335 0.245 20 0 BCADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CNOC2)CC1 ZINC000703323705 711874305 /nfs/dbraw/zinc/87/43/05/711874305.db2.gz MPUUGOPUNCMIGT-LLVKDONJSA-N 2 2 227.352 0.742 20 0 BCADLP CC(C)(C)[NH2+]CCC(=O)NCCc1[nH]cc[nH+]1 ZINC000139594476 711908100 /nfs/dbraw/zinc/90/81/00/711908100.db2.gz QBHAULNSBSAWBG-UHFFFAOYSA-N 2 2 238.335 0.847 20 0 BCADLP CC[N@@H+](CC(=O)NC)C[C@@H]1CCCC[NH2+]C1 ZINC000700237238 711987831 /nfs/dbraw/zinc/98/78/31/711987831.db2.gz LEMGPDHSYFVWCV-LLVKDONJSA-N 2 2 227.352 0.444 20 0 BCADLP CC[N@H+](CC(=O)NC)C[C@@H]1CCCC[NH2+]C1 ZINC000700237238 711987833 /nfs/dbraw/zinc/98/78/33/711987833.db2.gz LEMGPDHSYFVWCV-LLVKDONJSA-N 2 2 227.352 0.444 20 0 BCADLP C1C[C@@H]2C[C@@H]([NH2+][C@@H]3CNOC3)CC[N@@H+]2C1 ZINC000703308454 712072096 /nfs/dbraw/zinc/07/20/96/712072096.db2.gz CDOYFWYNQUASSM-HBNTYKKESA-N 2 2 211.309 0.106 20 0 BCADLP C1C[C@@H]2C[C@@H]([NH2+][C@@H]3CNOC3)CC[N@H+]2C1 ZINC000703308454 712072098 /nfs/dbraw/zinc/07/20/98/712072098.db2.gz CDOYFWYNQUASSM-HBNTYKKESA-N 2 2 211.309 0.106 20 0 BCADLP CCOC[C@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000705803413 712135828 /nfs/dbraw/zinc/13/58/28/712135828.db2.gz LCNWYYABNNPMTR-FRRDWIJNSA-N 2 2 242.363 0.579 20 0 BCADLP CCOC[C@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000705803413 712135829 /nfs/dbraw/zinc/13/58/29/712135829.db2.gz LCNWYYABNNPMTR-FRRDWIJNSA-N 2 2 242.363 0.579 20 0 BCADLP CCOC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000717434086 712657885 /nfs/dbraw/zinc/65/78/85/712657885.db2.gz YVASIBUQAAZENN-AGIUHOORSA-N 2 2 242.363 0.552 20 0 BCADLP CCOC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000717434086 712657886 /nfs/dbraw/zinc/65/78/86/712657886.db2.gz YVASIBUQAAZENN-AGIUHOORSA-N 2 2 242.363 0.552 20 0 BCADLP OCC[C@@H]([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000380014252 712669937 /nfs/dbraw/zinc/66/99/37/712669937.db2.gz SRZVIBHXIJEVEB-LLVKDONJSA-N 2 2 209.293 0.634 20 0 BCADLP Cc1oncc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000380149323 712699955 /nfs/dbraw/zinc/69/99/55/712699955.db2.gz AGDTXAPJNCTNMT-GHMZBOCLSA-N 2 2 207.277 0.634 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]([NH3+])CC1CC1 ZINC000380213614 712727208 /nfs/dbraw/zinc/72/72/08/712727208.db2.gz ISZUOERJTRNZQF-SECBINFHSA-N 2 2 222.292 0.462 20 0 BCADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718163949 712750664 /nfs/dbraw/zinc/75/06/64/712750664.db2.gz VVKAAKFUXZQFJL-YIZRAAEISA-N 2 2 220.263 0.547 20 0 BCADLP [NH3+][C@@H](CC(F)F)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718163949 712750668 /nfs/dbraw/zinc/75/06/68/712750668.db2.gz VVKAAKFUXZQFJL-YIZRAAEISA-N 2 2 220.263 0.547 20 0 BCADLP C[C@H](O)CC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000720352887 712832968 /nfs/dbraw/zinc/83/29/68/712832968.db2.gz RIISWOXWOQHTLK-TUAOUCFPSA-N 2 2 212.337 0.926 20 0 BCADLP C[C@H](O)CC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000720352887 712832971 /nfs/dbraw/zinc/83/29/71/712832971.db2.gz RIISWOXWOQHTLK-TUAOUCFPSA-N 2 2 212.337 0.926 20 0 BCADLP C[C@H](O)CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720352887 712832974 /nfs/dbraw/zinc/83/29/74/712832974.db2.gz RIISWOXWOQHTLK-TUAOUCFPSA-N 2 2 212.337 0.926 20 0 BCADLP C[C@H](O)CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720352887 712832976 /nfs/dbraw/zinc/83/29/76/712832976.db2.gz RIISWOXWOQHTLK-TUAOUCFPSA-N 2 2 212.337 0.926 20 0 BCADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCCO ZINC000720352466 712832991 /nfs/dbraw/zinc/83/29/91/712832991.db2.gz PWWYNAXESODLDA-RYUDHWBXSA-N 2 2 212.337 0.927 20 0 BCADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCCO ZINC000720352466 712832993 /nfs/dbraw/zinc/83/29/93/712832993.db2.gz PWWYNAXESODLDA-RYUDHWBXSA-N 2 2 212.337 0.927 20 0 BCADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCCO ZINC000720352466 712832996 /nfs/dbraw/zinc/83/29/96/712832996.db2.gz PWWYNAXESODLDA-RYUDHWBXSA-N 2 2 212.337 0.927 20 0 BCADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCCCO ZINC000720352466 712832998 /nfs/dbraw/zinc/83/29/98/712832998.db2.gz PWWYNAXESODLDA-RYUDHWBXSA-N 2 2 212.337 0.927 20 0 BCADLP C[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)CCO1 ZINC000720423790 712841987 /nfs/dbraw/zinc/84/19/87/712841987.db2.gz FLXXGLCVSTWGJZ-WCQYABFASA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CCO1 ZINC000720423790 712841988 /nfs/dbraw/zinc/84/19/88/712841988.db2.gz FLXXGLCVSTWGJZ-WCQYABFASA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CCO1 ZINC000720423790 712841990 /nfs/dbraw/zinc/84/19/90/712841990.db2.gz FLXXGLCVSTWGJZ-WCQYABFASA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CCO1 ZINC000720423790 712841992 /nfs/dbraw/zinc/84/19/92/712841992.db2.gz FLXXGLCVSTWGJZ-WCQYABFASA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H]1CSCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000380462279 712901090 /nfs/dbraw/zinc/90/10/90/712901090.db2.gz KRTJWVDHBUYIOA-RYUDHWBXSA-N 2 2 244.404 0.880 20 0 BCADLP C[C@H]1CSCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000380462279 712901091 /nfs/dbraw/zinc/90/10/91/712901091.db2.gz KRTJWVDHBUYIOA-RYUDHWBXSA-N 2 2 244.404 0.880 20 0 BCADLP CCNC(=O)C[N@H+](CC)CCC[NH2+]C1CC1 ZINC000382523262 710946121 /nfs/dbraw/zinc/94/61/21/710946121.db2.gz CHXKSJPXUKCXOD-UHFFFAOYSA-N 2 2 227.352 0.587 20 0 BCADLP CCNC(=O)C[N@@H+](CC)CCC[NH2+]C1CC1 ZINC000382523262 710946124 /nfs/dbraw/zinc/94/61/24/710946124.db2.gz CHXKSJPXUKCXOD-UHFFFAOYSA-N 2 2 227.352 0.587 20 0 BCADLP COC(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)OC ZINC000384552916 710915615 /nfs/dbraw/zinc/91/56/15/710915615.db2.gz GNDBRUHXQVQYNW-JZYVYDRUSA-N 2 2 214.309 0.097 20 0 BCADLP COC(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)OC ZINC000384552916 710915620 /nfs/dbraw/zinc/91/56/20/710915620.db2.gz GNDBRUHXQVQYNW-JZYVYDRUSA-N 2 2 214.309 0.097 20 0 BCADLP COCCOCCOCC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000385241366 711008411 /nfs/dbraw/zinc/00/84/11/711008411.db2.gz LQNFGDJZWQYXMU-NEPJUHHUSA-N 2 2 246.351 0.088 20 0 BCADLP COCCOCCOCC[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000385241366 711008413 /nfs/dbraw/zinc/00/84/13/711008413.db2.gz LQNFGDJZWQYXMU-NEPJUHHUSA-N 2 2 246.351 0.088 20 0 BCADLP CN1CCC[NH+]=C1NCC[NH+]1CCSCC1 ZINC000386394371 711028880 /nfs/dbraw/zinc/02/88/80/711028880.db2.gz GBRKJTWSAIOUMD-UHFFFAOYSA-N 2 2 242.392 0.316 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000389798845 711089301 /nfs/dbraw/zinc/08/93/01/711089301.db2.gz QVEWIQYUPQEOSG-NEPJUHHUSA-N 2 2 228.336 0.164 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000389798845 711089303 /nfs/dbraw/zinc/08/93/03/711089303.db2.gz QVEWIQYUPQEOSG-NEPJUHHUSA-N 2 2 228.336 0.164 20 0 BCADLP c1cn(CCC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c[nH+]1 ZINC000392895710 711153474 /nfs/dbraw/zinc/15/34/74/711153474.db2.gz XFDFQPIWKLYIHX-QSLWVIQJSA-N 3 2 246.358 0.859 20 0 BCADLP CC(C)C(=O)NCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396612600 711361225 /nfs/dbraw/zinc/36/12/25/711361225.db2.gz KMVVELFWYGOMKT-QWRGUYRKSA-N 2 2 227.352 0.489 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCSCCCO ZINC000396569721 711355203 /nfs/dbraw/zinc/35/52/03/711355203.db2.gz KVWRISXQYCUJFO-WDEREUQCSA-N 2 2 232.393 0.832 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCOCC(F)F ZINC000396608792 711358508 /nfs/dbraw/zinc/35/85/08/711358508.db2.gz DFTFNGGPPXZOBP-IUCAKERBSA-N 2 2 222.279 0.998 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCOCC(F)F ZINC000396608794 711358617 /nfs/dbraw/zinc/35/86/17/711358617.db2.gz DFTFNGGPPXZOBP-RKDXNWHRSA-N 2 2 222.279 0.998 20 0 BCADLP CC[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073485817 711440531 /nfs/dbraw/zinc/44/05/31/711440531.db2.gz BWUWBUWZNGVPBI-UHFFFAOYSA-N 2 2 248.330 0.437 20 0 BCADLP CC[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073485817 711440535 /nfs/dbraw/zinc/44/05/35/711440535.db2.gz BWUWBUWZNGVPBI-UHFFFAOYSA-N 2 2 248.330 0.437 20 0 BCADLP C[N@@H+]1CCCN(c2nccn3c[nH+]cc23)CC1 ZINC000891438813 711520392 /nfs/dbraw/zinc/52/03/92/711520392.db2.gz UIRHJJDGXUASST-UHFFFAOYSA-N 2 2 231.303 0.871 20 0 BCADLP C[N@H+]1CCCN(c2nccn3c[nH+]cc23)CC1 ZINC000891438813 711520394 /nfs/dbraw/zinc/52/03/94/711520394.db2.gz UIRHJJDGXUASST-UHFFFAOYSA-N 2 2 231.303 0.871 20 0 BCADLP Cc1nc(C[N@@H+]2CC[C@H](CC[NH3+])C2)no1 ZINC000723691133 711533794 /nfs/dbraw/zinc/53/37/94/711533794.db2.gz IIIQCVBAZRSPRA-VIFPVBQESA-N 2 2 210.281 0.549 20 0 BCADLP Cc1nc(C[N@H+]2CC[C@H](CC[NH3+])C2)no1 ZINC000723691133 711533797 /nfs/dbraw/zinc/53/37/97/711533797.db2.gz IIIQCVBAZRSPRA-VIFPVBQESA-N 2 2 210.281 0.549 20 0 BCADLP Cc1cn(C)nc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000723961073 711547872 /nfs/dbraw/zinc/54/78/72/711547872.db2.gz ATRXTUCPPIMNLP-ONGXEEELSA-N 2 2 222.336 0.898 20 0 BCADLP Cc1cn(C)nc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000723961073 711547874 /nfs/dbraw/zinc/54/78/74/711547874.db2.gz ATRXTUCPPIMNLP-ONGXEEELSA-N 2 2 222.336 0.898 20 0 BCADLP CO[C@@H]1CC[C@H]1[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000724187477 711567499 /nfs/dbraw/zinc/56/74/99/711567499.db2.gz JWSUGWULHWSWMG-JHJVBQTASA-N 2 2 242.363 0.551 20 0 BCADLP CO[C@@H]1CC[C@H]1[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000724187477 711567502 /nfs/dbraw/zinc/56/75/02/711567502.db2.gz JWSUGWULHWSWMG-JHJVBQTASA-N 2 2 242.363 0.551 20 0 BCADLP CO[C@@H]1CC[C@H]1[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000724187477 711567506 /nfs/dbraw/zinc/56/75/06/711567506.db2.gz JWSUGWULHWSWMG-JHJVBQTASA-N 2 2 242.363 0.551 20 0 BCADLP CO[C@@H]1CC[C@H]1[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000724187477 711567508 /nfs/dbraw/zinc/56/75/08/711567508.db2.gz JWSUGWULHWSWMG-JHJVBQTASA-N 2 2 242.363 0.551 20 0 BCADLP CC[N@H+](CC[NH3+])C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724556555 711589826 /nfs/dbraw/zinc/58/98/26/711589826.db2.gz HHIAJHWNEBBUHZ-OUAUKWLOSA-N 2 2 214.309 0.071 20 0 BCADLP CC[N@@H+](CC[NH3+])C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724556555 711589828 /nfs/dbraw/zinc/58/98/28/711589828.db2.gz HHIAJHWNEBBUHZ-OUAUKWLOSA-N 2 2 214.309 0.071 20 0 BCADLP CO[C@@H]1CCOC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000724875328 711623232 /nfs/dbraw/zinc/62/32/32/711623232.db2.gz ZJQVMNVNFQAPFR-VXGBXAGGSA-N 2 2 228.336 0.474 20 0 BCADLP C[NH2+]C1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000724915297 711627748 /nfs/dbraw/zinc/62/77/48/711627748.db2.gz PPKJHMMQFQKDAD-LBPRGKRZSA-N 2 2 228.336 0.476 20 0 BCADLP C[C@@H]1CCC[N@H+](CCO[C@H]2CCOC2)[C@@H]1C[NH3+] ZINC000724919755 711628221 /nfs/dbraw/zinc/62/82/21/711628221.db2.gz ACRAHNZGIFQRRH-FRRDWIJNSA-N 2 2 242.363 0.851 20 0 BCADLP C[C@@H]1CCC[N@@H+](CCO[C@H]2CCOC2)[C@@H]1C[NH3+] ZINC000724919755 711628223 /nfs/dbraw/zinc/62/82/23/711628223.db2.gz ACRAHNZGIFQRRH-FRRDWIJNSA-N 2 2 242.363 0.851 20 0 BCADLP C[NH2+]CC[N@H+](CCO[C@H]1CCOC1)C(C)C ZINC000724948719 711633457 /nfs/dbraw/zinc/63/34/57/711633457.db2.gz LMQKPPKTDMFMRE-LBPRGKRZSA-N 2 2 230.352 0.722 20 0 BCADLP C[NH2+]CC[N@@H+](CCO[C@H]1CCOC1)C(C)C ZINC000724948719 711633458 /nfs/dbraw/zinc/63/34/58/711633458.db2.gz LMQKPPKTDMFMRE-LBPRGKRZSA-N 2 2 230.352 0.722 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCS(C)(=O)=O ZINC000396560573 711701886 /nfs/dbraw/zinc/70/18/86/711701886.db2.gz HUJYLTGQYDOLNM-ZJUUUORDSA-N 2 2 234.365 0.151 20 0 BCADLP CN1C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1=O ZINC000925593724 711704234 /nfs/dbraw/zinc/70/42/34/711704234.db2.gz IFMXSMPIIFCGGH-WDEREUQCSA-N 2 2 237.347 0.481 20 0 BCADLP O[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccco1 ZINC000925604823 711704724 /nfs/dbraw/zinc/70/47/24/711704724.db2.gz AFMWKYSURNZSJI-LRYQHZMXSA-N 2 2 248.326 0.899 20 0 BCADLP C[C@@H]([NH2+]CCO[C@@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000925875599 711761603 /nfs/dbraw/zinc/76/16/03/711761603.db2.gz VDAWFQCAPFRWDJ-UPJWGTAASA-N 2 2 242.363 0.912 20 0 BCADLP CC[N@@H+](CC(=O)NC)C[C@H]1CCCC[NH2+]C1 ZINC000700237241 711988246 /nfs/dbraw/zinc/98/82/46/711988246.db2.gz LEMGPDHSYFVWCV-NSHDSACASA-N 2 2 227.352 0.444 20 0 BCADLP CC[N@H+](CC(=O)NC)C[C@H]1CCCC[NH2+]C1 ZINC000700237241 711988247 /nfs/dbraw/zinc/98/82/47/711988247.db2.gz LEMGPDHSYFVWCV-NSHDSACASA-N 2 2 227.352 0.444 20 0 BCADLP CC[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C(=O)NC ZINC000700420705 711993083 /nfs/dbraw/zinc/99/30/83/711993083.db2.gz WRKFTSPQQIVVDG-KUYXLPFXSA-N 2 2 237.347 0.097 20 0 BCADLP C1CC1[NH+]1CCC([NH2+][C@@H]2CNOC2)CC1 ZINC000703313494 712072249 /nfs/dbraw/zinc/07/22/49/712072249.db2.gz PCMBHLXYVKWBLE-SNVBAGLBSA-N 2 2 211.309 0.106 20 0 BCADLP COC1CC(C[N@@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC000703851569 712090427 /nfs/dbraw/zinc/09/04/27/712090427.db2.gz YVMJGIKNZLADGC-VQXHTEKXSA-N 2 2 214.309 0.071 20 0 BCADLP COC1CC(C[N@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC000703851569 712090429 /nfs/dbraw/zinc/09/04/29/712090429.db2.gz YVMJGIKNZLADGC-VQXHTEKXSA-N 2 2 214.309 0.071 20 0 BCADLP CN1CCC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1=O ZINC000704389057 712105507 /nfs/dbraw/zinc/10/55/07/712105507.db2.gz YFDSCWOFEBCKFY-MCDVFOBDSA-N 2 2 249.358 0.193 20 0 BCADLP CC1([NH3+])CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000704542821 712110245 /nfs/dbraw/zinc/11/02/45/712110245.db2.gz UZXVGEBZAKJMRF-SSDOTTSWSA-N 2 2 226.242 0.723 20 0 BCADLP CC[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001035086059 712111976 /nfs/dbraw/zinc/11/19/76/712111976.db2.gz IDNCUESJRFJODP-SNVBAGLBSA-N 2 2 236.319 0.553 20 0 BCADLP C[N@@H+](Cc1ccc(N)nn1)C[C@H]1CCC[NH+](C)C1 ZINC000705136563 712122454 /nfs/dbraw/zinc/12/24/54/712122454.db2.gz KNTSTHMWZHCWMQ-NSHDSACASA-N 2 2 249.362 0.832 20 0 BCADLP C[N@H+](Cc1ccc(N)nn1)C[C@H]1CCC[NH+](C)C1 ZINC000705136563 712122455 /nfs/dbraw/zinc/12/24/55/712122455.db2.gz KNTSTHMWZHCWMQ-NSHDSACASA-N 2 2 249.362 0.832 20 0 BCADLP C[NH+](Cc1ccc(N)nn1)C[C@H]1CCC[N@H+](C)C1 ZINC000705136563 712122456 /nfs/dbraw/zinc/12/24/56/712122456.db2.gz KNTSTHMWZHCWMQ-NSHDSACASA-N 2 2 249.362 0.832 20 0 BCADLP C[NH+](Cc1ccc(N)nn1)C[C@H]1CCC[N@@H+](C)C1 ZINC000705136563 712122458 /nfs/dbraw/zinc/12/24/58/712122458.db2.gz KNTSTHMWZHCWMQ-NSHDSACASA-N 2 2 249.362 0.832 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]1C ZINC000706763303 712154725 /nfs/dbraw/zinc/15/47/25/712154725.db2.gz PPQAJDYYXIMFND-WDEREUQCSA-N 2 2 200.326 0.782 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]1C ZINC000706763303 712154729 /nfs/dbraw/zinc/15/47/29/712154729.db2.gz PPQAJDYYXIMFND-WDEREUQCSA-N 2 2 200.326 0.782 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H]1C ZINC000706763303 712154731 /nfs/dbraw/zinc/15/47/31/712154731.db2.gz PPQAJDYYXIMFND-WDEREUQCSA-N 2 2 200.326 0.782 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H]1C ZINC000706763303 712154733 /nfs/dbraw/zinc/15/47/33/712154733.db2.gz PPQAJDYYXIMFND-WDEREUQCSA-N 2 2 200.326 0.782 20 0 BCADLP NCC(C[NH3+])[NH2+]C[C@@H]1CC2CCC1CC2 ZINC000710080284 712244862 /nfs/dbraw/zinc/24/48/62/712244862.db2.gz PZKXFYGOJQDCBN-ILDUYXDCSA-N 2 2 211.353 0.688 20 0 BCADLP [NH3+]CC(C[NH3+])NC[C@@H]1CC2CCC1CC2 ZINC000710080284 712244865 /nfs/dbraw/zinc/24/48/65/712244865.db2.gz PZKXFYGOJQDCBN-ILDUYXDCSA-N 2 2 211.353 0.688 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000373107281 712284779 /nfs/dbraw/zinc/28/47/79/712284779.db2.gz RETPRQHPJMMRMI-QWRGUYRKSA-N 2 2 248.330 0.488 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC000373107281 712284782 /nfs/dbraw/zinc/28/47/82/712284782.db2.gz RETPRQHPJMMRMI-QWRGUYRKSA-N 2 2 248.330 0.488 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CF)C1 ZINC000711449829 712301358 /nfs/dbraw/zinc/30/13/58/712301358.db2.gz HRAVPQRIPHQXKL-NEPJUHHUSA-N 2 2 232.343 0.981 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CF)C1 ZINC000711449829 712301359 /nfs/dbraw/zinc/30/13/59/712301359.db2.gz HRAVPQRIPHQXKL-NEPJUHHUSA-N 2 2 232.343 0.981 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CF)C1 ZINC000711449829 712301362 /nfs/dbraw/zinc/30/13/62/712301362.db2.gz HRAVPQRIPHQXKL-NEPJUHHUSA-N 2 2 232.343 0.981 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CF)C1 ZINC000711449829 712301363 /nfs/dbraw/zinc/30/13/63/712301363.db2.gz HRAVPQRIPHQXKL-NEPJUHHUSA-N 2 2 232.343 0.981 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CF)C1 ZINC000711449830 712301461 /nfs/dbraw/zinc/30/14/61/712301461.db2.gz HRAVPQRIPHQXKL-NWDGAFQWSA-N 2 2 232.343 0.981 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CF)C1 ZINC000711449830 712301462 /nfs/dbraw/zinc/30/14/62/712301462.db2.gz HRAVPQRIPHQXKL-NWDGAFQWSA-N 2 2 232.343 0.981 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711449830 712301463 /nfs/dbraw/zinc/30/14/63/712301463.db2.gz HRAVPQRIPHQXKL-NWDGAFQWSA-N 2 2 232.343 0.981 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000711449830 712301464 /nfs/dbraw/zinc/30/14/64/712301464.db2.gz HRAVPQRIPHQXKL-NWDGAFQWSA-N 2 2 232.343 0.981 20 0 BCADLP CCOCC[N@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000379544489 712387458 /nfs/dbraw/zinc/38/74/58/712387458.db2.gz USGJKOBESXQWIH-QMMMGPOBSA-N 2 2 210.268 0.937 20 0 BCADLP CCOCC[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000379544489 712387459 /nfs/dbraw/zinc/38/74/59/712387459.db2.gz USGJKOBESXQWIH-QMMMGPOBSA-N 2 2 210.268 0.937 20 0 BCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCn2cnnn2)[C@@H]1C ZINC000712613151 712438030 /nfs/dbraw/zinc/43/80/30/712438030.db2.gz ACBCTHYVRXAICJ-MXWKQRLJSA-N 2 2 238.339 0.121 20 0 BCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCn2cnnn2)[C@@H]1C ZINC000712613151 712438031 /nfs/dbraw/zinc/43/80/31/712438031.db2.gz ACBCTHYVRXAICJ-MXWKQRLJSA-N 2 2 238.339 0.121 20 0 BCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCn2cnnn2)[C@H]1C ZINC000712613156 712438211 /nfs/dbraw/zinc/43/82/11/712438211.db2.gz ACBCTHYVRXAICJ-OUAUKWLOSA-N 2 2 238.339 0.121 20 0 BCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCn2cnnn2)[C@H]1C ZINC000712613156 712438212 /nfs/dbraw/zinc/43/82/12/712438212.db2.gz ACBCTHYVRXAICJ-OUAUKWLOSA-N 2 2 238.339 0.121 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000714246492 712480363 /nfs/dbraw/zinc/48/03/63/712480363.db2.gz REWVOLZZGPULDV-NAKRPEOUSA-N 2 2 246.376 0.292 20 0 BCADLP C[C@H](CC[NH+](C)C)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716161119 712552930 /nfs/dbraw/zinc/55/29/30/712552930.db2.gz ZWKPWFFQOPITQF-KPPDAEKUSA-N 2 2 248.392 0.492 20 0 BCADLP C[NH+]1CCC([NH2+]CC(=O)NCC2CC2)CC1 ZINC000037253345 712558320 /nfs/dbraw/zinc/55/83/20/712558320.db2.gz JWWQYPAITSDPPY-UHFFFAOYSA-N 2 2 225.336 0.196 20 0 BCADLP C[C@H]([NH2+]CC1(C)OCCO1)[C@@H]1CCC[NH2+]1 ZINC000716903183 712581232 /nfs/dbraw/zinc/58/12/32/712581232.db2.gz JFIXLTYJGLCDNG-UWVGGRQHSA-N 2 2 214.309 0.480 20 0 BCADLP CCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717434086 712657883 /nfs/dbraw/zinc/65/78/83/712657883.db2.gz YVASIBUQAAZENN-AGIUHOORSA-N 2 2 242.363 0.552 20 0 BCADLP CCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717434086 712657884 /nfs/dbraw/zinc/65/78/84/712657884.db2.gz YVASIBUQAAZENN-AGIUHOORSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000380144404 712699186 /nfs/dbraw/zinc/69/91/86/712699186.db2.gz WKXYSXIHSDOCQF-ZJUUUORDSA-N 2 2 213.325 0.324 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000380144404 712699189 /nfs/dbraw/zinc/69/91/89/712699189.db2.gz WKXYSXIHSDOCQF-ZJUUUORDSA-N 2 2 213.325 0.324 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)c1ccccc1 ZINC000037888335 712780798 /nfs/dbraw/zinc/78/07/98/712780798.db2.gz BFIIRBQZBZZHBR-CHWSQXEVSA-N 2 2 238.331 0.232 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCO[C@@H](C)CC1 ZINC000720429403 712842159 /nfs/dbraw/zinc/84/21/59/712842159.db2.gz JWIJIEZPCXRBEQ-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@@H](C)CC1 ZINC000720429403 712842162 /nfs/dbraw/zinc/84/21/62/712842162.db2.gz JWIJIEZPCXRBEQ-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@@H](C)CC1 ZINC000720429403 712842164 /nfs/dbraw/zinc/84/21/64/712842164.db2.gz JWIJIEZPCXRBEQ-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCO[C@@H](C)CC1 ZINC000720429403 712842167 /nfs/dbraw/zinc/84/21/67/712842167.db2.gz JWIJIEZPCXRBEQ-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000720483042 712846667 /nfs/dbraw/zinc/84/66/67/712846667.db2.gz SYYUJJJUJSIBTH-SRVKXCTJSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@H](O)C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000720483042 712846670 /nfs/dbraw/zinc/84/66/70/712846670.db2.gz SYYUJJJUJSIBTH-SRVKXCTJSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@H](O)C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720483042 712846672 /nfs/dbraw/zinc/84/66/72/712846672.db2.gz SYYUJJJUJSIBTH-SRVKXCTJSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@H](O)C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720483042 712846675 /nfs/dbraw/zinc/84/66/75/712846675.db2.gz SYYUJJJUJSIBTH-SRVKXCTJSA-N 2 2 212.337 0.926 20 0 BCADLP C[NH2+]CC[N@H+](CCc1cnn(C)c1)C(C)C ZINC000720738628 712862575 /nfs/dbraw/zinc/86/25/75/712862575.db2.gz LAAGFMPBUICFCM-UHFFFAOYSA-N 2 2 224.352 0.892 20 0 BCADLP C[NH2+]CC[N@@H+](CCc1cnn(C)c1)C(C)C ZINC000720738628 712862577 /nfs/dbraw/zinc/86/25/77/712862577.db2.gz LAAGFMPBUICFCM-UHFFFAOYSA-N 2 2 224.352 0.892 20 0 BCADLP C[NH2+]CC[N@H+](C[C@@H](COC)OC)C(C)C ZINC000720775500 712864740 /nfs/dbraw/zinc/86/47/40/712864740.db2.gz HFNMRWZTHOSTRQ-NSHDSACASA-N 2 2 218.341 0.578 20 0 BCADLP C[NH2+]CC[N@@H+](C[C@@H](COC)OC)C(C)C ZINC000720775500 712864741 /nfs/dbraw/zinc/86/47/41/712864741.db2.gz HFNMRWZTHOSTRQ-NSHDSACASA-N 2 2 218.341 0.578 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720907096 712876994 /nfs/dbraw/zinc/87/69/94/712876994.db2.gz JGHUPGBSUMKUQS-DDHJBXDOSA-N 2 2 228.336 0.114 20 0 BCADLP C(C[NH+]1CCOCC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000720919295 712878607 /nfs/dbraw/zinc/87/86/07/712878607.db2.gz MHOQMIWWTYSBPB-QWHCGFSZSA-N 2 2 239.363 0.145 20 0 BCADLP Cc1ccc(N2CCN3CC[NH2+]C[C@H]3C2)[nH+]c1C ZINC001164398922 718832380 /nfs/dbraw/zinc/83/23/80/718832380.db2.gz MHBXPYJDIMFYEZ-ZDUSSCGKSA-N 2 2 246.358 0.792 20 0 BCADLP C[C@@H]1CN(c2ncnc3c2C[NH2+]C3)[C@@H](C)C[N@@H+]1C ZINC001164635927 719179156 /nfs/dbraw/zinc/17/91/56/719179156.db2.gz MAVOULLBOQGUED-ZJUUUORDSA-N 2 2 247.346 0.609 20 0 BCADLP C[C@@H]1CN(c2ncnc3c2C[NH2+]C3)[C@@H](C)C[N@H+]1C ZINC001164635927 719179165 /nfs/dbraw/zinc/17/91/65/719179165.db2.gz MAVOULLBOQGUED-ZJUUUORDSA-N 2 2 247.346 0.609 20 0 BCADLP Cc1c[nH+]c(N2CCN3CC[NH2+]C[C@@H]3C2)c(C)c1 ZINC001164398939 718834048 /nfs/dbraw/zinc/83/40/48/718834048.db2.gz MKTVXJDTLSHYAB-CYBMUJFWSA-N 2 2 246.358 0.792 20 0 BCADLP Cc1c[nH+]c(N2CCN3CC[NH2+]C[C@H]3C2)cc1C ZINC001164404956 718841278 /nfs/dbraw/zinc/84/12/78/718841278.db2.gz NSNZMLODGWOCPL-ZDUSSCGKSA-N 2 2 246.358 0.792 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc(N)[nH+]cn1 ZINC001164634880 719230847 /nfs/dbraw/zinc/23/08/47/719230847.db2.gz HZOGHWZUNGHXHX-RKDXNWHRSA-N 2 2 221.308 0.588 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc(N)[nH+]cn1 ZINC001164634880 719230848 /nfs/dbraw/zinc/23/08/48/719230848.db2.gz HZOGHWZUNGHXHX-RKDXNWHRSA-N 2 2 221.308 0.588 20 0 BCADLP Cc1c[nH+]c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c(N)c1 ZINC001164669391 719419601 /nfs/dbraw/zinc/41/96/01/719419601.db2.gz LWRMLNVUUFKUMM-NEPJUHHUSA-N 2 2 248.330 0.491 20 0 BCADLP Cc1c[nH+]c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c(N)c1 ZINC001164669391 719419607 /nfs/dbraw/zinc/41/96/07/719419607.db2.gz LWRMLNVUUFKUMM-NEPJUHHUSA-N 2 2 248.330 0.491 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000385188775 398138972 /nfs/dbraw/zinc/13/89/72/398138972.db2.gz PSTLSXWPHRRESE-KSSYENDESA-N 2 2 242.363 0.909 20 0 BCADLP O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649334486 398150512 /nfs/dbraw/zinc/15/05/12/398150512.db2.gz LUWROTUEHAMEHD-IAZYJMLFSA-N 2 2 242.282 0.738 20 0 BCADLP Cc1cc(C[NH2+]C2CC[NH+](C)CC2)n(C)n1 ZINC000084243859 178019246 /nfs/dbraw/zinc/01/92/46/178019246.db2.gz RAPIQSRUJJIEIL-UHFFFAOYSA-N 2 2 222.336 0.912 20 0 BCADLP C[C@@H](C(N)=O)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246738087 398172130 /nfs/dbraw/zinc/17/21/30/398172130.db2.gz FEMOGENPPBLSPT-UWVGGRQHSA-N 2 2 213.325 0.134 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246738087 398172133 /nfs/dbraw/zinc/17/21/33/398172133.db2.gz FEMOGENPPBLSPT-UWVGGRQHSA-N 2 2 213.325 0.134 20 0 BCADLP C[C@@H](C(N)=O)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246738087 398172137 /nfs/dbraw/zinc/17/21/37/398172137.db2.gz FEMOGENPPBLSPT-UWVGGRQHSA-N 2 2 213.325 0.134 20 0 BCADLP C[C@@H](C(N)=O)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246738087 398172139 /nfs/dbraw/zinc/17/21/39/398172139.db2.gz FEMOGENPPBLSPT-UWVGGRQHSA-N 2 2 213.325 0.134 20 0 BCADLP Cc1nnsc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000390324910 398172419 /nfs/dbraw/zinc/17/24/19/398172419.db2.gz JCRJNRAELYWZJE-SNVBAGLBSA-N 2 2 244.364 0.249 20 0 BCADLP Cc1cccn2cc(CC(=O)NC[C@H](C)[NH3+])[nH+]c12 ZINC000649360005 398172761 /nfs/dbraw/zinc/17/27/61/398172761.db2.gz WERRMPVXTFURJJ-JTQLQIEISA-N 2 2 246.314 0.649 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000649348023 398161512 /nfs/dbraw/zinc/16/15/12/398161512.db2.gz ZANKUEJOKUWBRY-VIFPVBQESA-N 2 2 222.292 0.332 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C(C)C ZINC000380100820 398186502 /nfs/dbraw/zinc/18/65/02/398186502.db2.gz XGRAUVCIQQINJI-STQMWFEESA-N 2 2 246.395 0.902 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C(C)C ZINC000380100820 398186508 /nfs/dbraw/zinc/18/65/08/398186508.db2.gz XGRAUVCIQQINJI-STQMWFEESA-N 2 2 246.395 0.902 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)C(C)C ZINC000380100820 398186513 /nfs/dbraw/zinc/18/65/13/398186513.db2.gz XGRAUVCIQQINJI-STQMWFEESA-N 2 2 246.395 0.902 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(C)C ZINC000380100820 398186517 /nfs/dbraw/zinc/18/65/17/398186517.db2.gz XGRAUVCIQQINJI-STQMWFEESA-N 2 2 246.395 0.902 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]C[C@H](C)COC ZINC000188543656 346818598 /nfs/dbraw/zinc/81/85/98/346818598.db2.gz LXGULNNLEZIYKS-NSHDSACASA-N 2 2 218.341 0.173 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]C[C@H](C)COC ZINC000188543656 346818602 /nfs/dbraw/zinc/81/86/02/346818602.db2.gz LXGULNNLEZIYKS-NSHDSACASA-N 2 2 218.341 0.173 20 0 BCADLP CC1(C)C[NH+](CC(=O)NCC[NH+]2CCC2)C1 ZINC000569620648 322995793 /nfs/dbraw/zinc/99/57/93/322995793.db2.gz DINFQXJQJYKQRO-UHFFFAOYSA-N 2 2 225.336 0.150 20 0 BCADLP C[NH2+]C[C@@H]1CCCN1c1nc[nH+]c(N)c1Cl ZINC000576256102 365541072 /nfs/dbraw/zinc/54/10/72/365541072.db2.gz KVGTWAPVTCNYNO-ZETCQYMHSA-N 2 2 241.726 0.900 20 0 BCADLP C[C@@H]([NH2+]C1CC1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000382948822 398206453 /nfs/dbraw/zinc/20/64/53/398206453.db2.gz KZQCNKNRPCMDHJ-MRVPVSSYSA-N 2 2 222.292 0.209 20 0 BCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1CCn1cc[nH+]c1 ZINC000334453029 398207417 /nfs/dbraw/zinc/20/74/17/398207417.db2.gz ZVJXUHMWMGFFQH-VXGBXAGGSA-N 2 2 222.336 0.908 20 0 BCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CCn1cc[nH+]c1 ZINC000334453029 398207419 /nfs/dbraw/zinc/20/74/19/398207419.db2.gz ZVJXUHMWMGFFQH-VXGBXAGGSA-N 2 2 222.336 0.908 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCOC(C)(C)C1 ZINC000576285498 365552466 /nfs/dbraw/zinc/55/24/66/365552466.db2.gz KDWDGUDNHLVTBO-NSHDSACASA-N 2 2 216.325 0.068 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCOC(C)(C)C1 ZINC000576285498 365552470 /nfs/dbraw/zinc/55/24/70/365552470.db2.gz KDWDGUDNHLVTBO-NSHDSACASA-N 2 2 216.325 0.068 20 0 BCADLP c1cnnc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000649412219 398214426 /nfs/dbraw/zinc/21/44/26/398214426.db2.gz XITXBKYYDQNNFQ-GFCCVEGCSA-N 2 2 247.346 0.208 20 0 BCADLP Cc1cc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc[nH+]1 ZINC000237719691 178145838 /nfs/dbraw/zinc/14/58/38/178145838.db2.gz PLIFJWVLZLMABU-UWVGGRQHSA-N 2 2 221.260 0.051 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H](CO)CC(F)F ZINC000336767387 136221235 /nfs/dbraw/zinc/22/12/35/136221235.db2.gz SZZYSILKFKMHIZ-VGMNWLOBSA-N 2 2 222.279 0.542 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H](CO)CC(F)F ZINC000336767387 136221236 /nfs/dbraw/zinc/22/12/36/136221236.db2.gz SZZYSILKFKMHIZ-VGMNWLOBSA-N 2 2 222.279 0.542 20 0 BCADLP CC(C)[C@H](O)CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336767432 136221303 /nfs/dbraw/zinc/22/13/03/136221303.db2.gz TVEREWDQLZKYPJ-IJLUTSLNSA-N 2 2 214.353 0.933 20 0 BCADLP CC(C)[C@H](O)CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336767432 136221304 /nfs/dbraw/zinc/22/13/04/136221304.db2.gz TVEREWDQLZKYPJ-IJLUTSLNSA-N 2 2 214.353 0.933 20 0 BCADLP Cc1cc(NCCC[NH+]2CCOCC2)nc[nH+]1 ZINC000040431431 178160482 /nfs/dbraw/zinc/16/04/82/178160482.db2.gz PGLJZZDQGULHMA-UHFFFAOYSA-N 2 2 236.319 0.919 20 0 BCADLP c1cnn(CC[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000649419369 398220551 /nfs/dbraw/zinc/22/05/51/398220551.db2.gz MYUPURGDHOSUEF-NWDGAFQWSA-N 2 2 220.320 0.567 20 0 BCADLP c1cnn(CC[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000649419369 398220553 /nfs/dbraw/zinc/22/05/53/398220553.db2.gz MYUPURGDHOSUEF-NWDGAFQWSA-N 2 2 220.320 0.567 20 0 BCADLP c1cnn(CC[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000649419370 398220640 /nfs/dbraw/zinc/22/06/40/398220640.db2.gz MYUPURGDHOSUEF-RYUDHWBXSA-N 2 2 220.320 0.567 20 0 BCADLP c1cnn(CC[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000649419370 398220643 /nfs/dbraw/zinc/22/06/43/398220643.db2.gz MYUPURGDHOSUEF-RYUDHWBXSA-N 2 2 220.320 0.567 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000639017044 398222751 /nfs/dbraw/zinc/22/27/51/398222751.db2.gz QCXOPSQWWQJDKY-HLTSFMKQSA-N 2 2 220.276 0.119 20 0 BCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NC(C)(C)C ZINC000430569066 398229515 /nfs/dbraw/zinc/22/95/15/398229515.db2.gz IANKNMOPCKPAPD-GFCCVEGCSA-N 2 2 229.368 0.864 20 0 BCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)NC(C)(C)C ZINC000430569067 398229580 /nfs/dbraw/zinc/22/95/80/398229580.db2.gz IANKNMOPCKPAPD-LBPRGKRZSA-N 2 2 229.368 0.864 20 0 BCADLP C[N@H+](CC(=O)Nc1cc[nH+]cc1O)C1CCC1 ZINC000629959177 361802308 /nfs/dbraw/zinc/80/23/08/361802308.db2.gz NJYPSYCRHSIVDV-UHFFFAOYSA-N 2 2 235.287 0.632 20 0 BCADLP C[N@@H+](CC(=O)Nc1cc[nH+]cc1O)C1CCC1 ZINC000629959177 361802311 /nfs/dbraw/zinc/80/23/11/361802311.db2.gz NJYPSYCRHSIVDV-UHFFFAOYSA-N 2 2 235.287 0.632 20 0 BCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[NH+](C2CC2)CC1 ZINC000278961023 538935158 /nfs/dbraw/zinc/93/51/58/538935158.db2.gz WRGCCVWPUCASTK-UHFFFAOYSA-N 2 2 248.330 0.649 20 0 BCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[NH+](C2CC2)CC1 ZINC000278961023 538935159 /nfs/dbraw/zinc/93/51/59/538935159.db2.gz WRGCCVWPUCASTK-UHFFFAOYSA-N 2 2 248.330 0.649 20 0 BCADLP CCOC[C@@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000576511620 365613741 /nfs/dbraw/zinc/61/37/41/365613741.db2.gz KXGWHOPCACNEBA-UWVGGRQHSA-N 2 2 239.319 0.254 20 0 BCADLP CCOC[C@@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000576511620 365613747 /nfs/dbraw/zinc/61/37/47/365613747.db2.gz KXGWHOPCACNEBA-UWVGGRQHSA-N 2 2 239.319 0.254 20 0 BCADLP C[NH2+][C@@H](C)c1cn(CCCn2cc[nH+]c2)nn1 ZINC000383405089 398257870 /nfs/dbraw/zinc/25/78/70/398257870.db2.gz QYBVDINYLPQVHX-JTQLQIEISA-N 2 2 234.307 0.845 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+]CC[C@H](C)O)C1 ZINC000379914128 365665839 /nfs/dbraw/zinc/66/58/39/365665839.db2.gz ARRWDJOQFBXTPF-QWRGUYRKSA-N 2 2 216.325 0.068 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)O)C1 ZINC000379914128 365665846 /nfs/dbraw/zinc/66/58/46/365665846.db2.gz ARRWDJOQFBXTPF-QWRGUYRKSA-N 2 2 216.325 0.068 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCc2ccn(C)n2)n1C ZINC000576718609 365669223 /nfs/dbraw/zinc/66/92/23/365669223.db2.gz FYAXNNHJNWLGFN-UHFFFAOYSA-N 2 2 233.319 0.794 20 0 BCADLP CC[C@H](C(=O)NCc1c[nH+]cn1C)[NH+](C)C ZINC000291123256 538947812 /nfs/dbraw/zinc/94/78/12/538947812.db2.gz DPCLHLOBZNAIPS-SNVBAGLBSA-N 2 2 224.308 0.377 20 0 BCADLP CO[C@@]1(C[NH2+]CCn2cc[nH+]c2)CCOC1 ZINC000386249784 398264109 /nfs/dbraw/zinc/26/41/09/398264109.db2.gz RGEZQCXOAIGNCL-LLVKDONJSA-N 2 2 225.292 0.278 20 0 BCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000035142402 538955996 /nfs/dbraw/zinc/95/59/96/538955996.db2.gz JVXBTDZCASTFJI-SNVBAGLBSA-N 2 2 225.336 0.149 20 0 BCADLP C([NH2+]C1CC1)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000381830237 398275063 /nfs/dbraw/zinc/27/50/63/398275063.db2.gz NIEBTZATOZIRMM-QMMMGPOBSA-N 2 2 208.265 0.746 20 0 BCADLP C[C@@H](O)[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000166070248 361848705 /nfs/dbraw/zinc/84/87/05/361848705.db2.gz MYHPBQCHVHHCMF-MNOVXSKESA-N 2 2 209.293 0.586 20 0 BCADLP C[C@@H](O)[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000166070248 361848707 /nfs/dbraw/zinc/84/87/07/361848707.db2.gz MYHPBQCHVHHCMF-MNOVXSKESA-N 2 2 209.293 0.586 20 0 BCADLP COC(=O)c1ccc(C[N@H+](C)C2CC([NH3+])C2)o1 ZINC000385221853 342695174 /nfs/dbraw/zinc/69/51/74/342695174.db2.gz RSZCGWUDKJSMRW-UHFFFAOYSA-N 2 2 238.287 0.988 20 0 BCADLP COC(=O)c1ccc(C[N@@H+](C)C2CC([NH3+])C2)o1 ZINC000385221853 342695175 /nfs/dbraw/zinc/69/51/75/342695175.db2.gz RSZCGWUDKJSMRW-UHFFFAOYSA-N 2 2 238.287 0.988 20 0 BCADLP Cc1ncc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000309691660 342788835 /nfs/dbraw/zinc/78/88/35/342788835.db2.gz JNRKXTWUOOCWGK-TXEJJXNPSA-N 2 2 218.304 0.436 20 0 BCADLP Cc1ncc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000309691660 342788836 /nfs/dbraw/zinc/78/88/36/342788836.db2.gz JNRKXTWUOOCWGK-TXEJJXNPSA-N 2 2 218.304 0.436 20 0 BCADLP CC[C@@H]1CC[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000518211037 398285217 /nfs/dbraw/zinc/28/52/17/398285217.db2.gz BUBKDNRAHHGLME-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP CC[C@@H]1CC[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000518211037 398285220 /nfs/dbraw/zinc/28/52/20/398285220.db2.gz BUBKDNRAHHGLME-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP CC[C@@H]1CC[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC000518211037 398285224 /nfs/dbraw/zinc/28/52/24/398285224.db2.gz BUBKDNRAHHGLME-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP CC[C@@H]1CC[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000518211037 398285227 /nfs/dbraw/zinc/28/52/27/398285227.db2.gz BUBKDNRAHHGLME-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP Cc1cn2cc(NC(=O)CC[NH3+])ccc2[nH+]1 ZINC000031958776 342792781 /nfs/dbraw/zinc/79/27/81/342792781.db2.gz SZCGSYMPAKASBA-UHFFFAOYSA-N 2 2 218.260 0.930 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000036301420 342809105 /nfs/dbraw/zinc/80/91/05/342809105.db2.gz LKZQZEDZNZFLNU-SNVBAGLBSA-N 2 2 227.352 0.585 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000036301420 342809106 /nfs/dbraw/zinc/80/91/06/342809106.db2.gz LKZQZEDZNZFLNU-SNVBAGLBSA-N 2 2 227.352 0.585 20 0 BCADLP C[N@H+](CC(=O)NC1CCCC1)C1CC[NH2+]CC1 ZINC000036301374 342809109 /nfs/dbraw/zinc/80/91/09/342809109.db2.gz UKKVZKVUIFUPDU-UHFFFAOYSA-N 2 2 239.363 0.729 20 0 BCADLP C[N@@H+](CC(=O)NC1CCCC1)C1CC[NH2+]CC1 ZINC000036301374 342809110 /nfs/dbraw/zinc/80/91/10/342809110.db2.gz UKKVZKVUIFUPDU-UHFFFAOYSA-N 2 2 239.363 0.729 20 0 BCADLP Cc1cc(NC(=O)N2CCC([NH3+])CC2)cc[nH+]1 ZINC000630048158 361917574 /nfs/dbraw/zinc/91/75/74/361917574.db2.gz SYRCRADWHISPKO-UHFFFAOYSA-N 2 2 234.303 0.767 20 0 BCADLP [NH3+][C@H]1C[C@@H](C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000335464138 398288623 /nfs/dbraw/zinc/28/86/23/398288623.db2.gz ISHKEPNSZANXNC-PHIMTYICSA-N 2 2 244.298 0.688 20 0 BCADLP Cn1cc[nH+]c1-c1ccc(N2CC[NH2+]CC2)nc1 ZINC000630052883 361922763 /nfs/dbraw/zinc/92/27/63/361922763.db2.gz MYKSBJQIYIBHDY-UHFFFAOYSA-N 2 2 243.314 0.892 20 0 BCADLP c1c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)nn2c1CCC2 ZINC000649491706 398290010 /nfs/dbraw/zinc/29/00/10/398290010.db2.gz ZHCFXJZXMKHRAJ-GHMZBOCLSA-N 2 2 232.331 0.481 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000381419391 539000329 /nfs/dbraw/zinc/00/03/29/539000329.db2.gz VLBRHPXZBJPARA-KOLCDFICSA-N 2 2 225.336 0.324 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000381419391 539000330 /nfs/dbraw/zinc/00/03/30/539000330.db2.gz VLBRHPXZBJPARA-KOLCDFICSA-N 2 2 225.336 0.324 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)n1C ZINC000668012163 488184450 /nfs/dbraw/zinc/18/44/50/488184450.db2.gz UMQVWOFARKCNBW-BXKDBHETSA-N 2 2 223.320 0.931 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000380229869 346867513 /nfs/dbraw/zinc/86/75/13/346867513.db2.gz QGJCATWRXKVUDO-CBAPKCEASA-N 2 2 222.292 0.332 20 0 BCADLP C[C@@H](C[NH2+]Cc1cn(C)nn1)C[NH+]1CCCC1 ZINC000062079054 349634384 /nfs/dbraw/zinc/63/43/84/349634384.db2.gz APJFXVJRCVOAJN-NSHDSACASA-N 2 2 237.351 0.637 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000167344061 136245563 /nfs/dbraw/zinc/24/55/63/136245563.db2.gz NNNASQUQBOHCHI-NXEZZACHSA-N 2 2 225.336 0.337 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000167344061 136245564 /nfs/dbraw/zinc/24/55/64/136245564.db2.gz NNNASQUQBOHCHI-NXEZZACHSA-N 2 2 225.336 0.337 20 0 BCADLP CN(C)C(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000096981704 398314429 /nfs/dbraw/zinc/31/44/29/398314429.db2.gz WNWYYHAPALKUPK-GFCCVEGCSA-N 2 2 241.379 0.881 20 0 BCADLP CN(C)C(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000096981704 398314431 /nfs/dbraw/zinc/31/44/31/398314431.db2.gz WNWYYHAPALKUPK-GFCCVEGCSA-N 2 2 241.379 0.881 20 0 BCADLP CN(C)C(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000096981704 398314432 /nfs/dbraw/zinc/31/44/32/398314432.db2.gz WNWYYHAPALKUPK-GFCCVEGCSA-N 2 2 241.379 0.881 20 0 BCADLP CN(C)C(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000096981704 398314433 /nfs/dbraw/zinc/31/44/33/398314433.db2.gz WNWYYHAPALKUPK-GFCCVEGCSA-N 2 2 241.379 0.881 20 0 BCADLP C[N@@H+](Cc1ccsc1)C[C@H](O)C[NH3+] ZINC000035719168 342892028 /nfs/dbraw/zinc/89/20/28/342892028.db2.gz FLUYUEANSIFGHK-SECBINFHSA-N 2 2 200.307 0.500 20 0 BCADLP C[N@H+](Cc1ccsc1)C[C@H](O)C[NH3+] ZINC000035719168 342892031 /nfs/dbraw/zinc/89/20/31/342892031.db2.gz FLUYUEANSIFGHK-SECBINFHSA-N 2 2 200.307 0.500 20 0 BCADLP CN(Cc1[nH+]ccn1C)C1CC[NH2+]CC1 ZINC000036300954 342908275 /nfs/dbraw/zinc/90/82/75/342908275.db2.gz DPQDVXFEBSXRHT-UHFFFAOYSA-N 2 2 208.309 0.604 20 0 BCADLP CC[NH2+]CC1CC[NH+](Cc2nnn(C)n2)CC1 ZINC000233504574 342910072 /nfs/dbraw/zinc/91/00/72/342910072.db2.gz WKCXAPHTEMQROM-UHFFFAOYSA-N 2 2 238.339 0.032 20 0 BCADLP CCc1nnc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)[nH]1 ZINC000392365378 398325308 /nfs/dbraw/zinc/32/53/08/398325308.db2.gz VAMVFOBQESDDLL-ZJUUUORDSA-N 2 2 237.351 0.939 20 0 BCADLP CCc1nnc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)[nH]1 ZINC000392365378 398325310 /nfs/dbraw/zinc/32/53/10/398325310.db2.gz VAMVFOBQESDDLL-ZJUUUORDSA-N 2 2 237.351 0.939 20 0 BCADLP CO[C@H](C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)C1CC1 ZINC000261981516 536643175 /nfs/dbraw/zinc/64/31/75/536643175.db2.gz IDDDMBKDOFWEJB-CYZMBNFOSA-N 2 2 242.363 0.768 20 0 BCADLP COCCN1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000328209146 346901182 /nfs/dbraw/zinc/90/11/82/346901182.db2.gz UWOJPIRGKSZGJU-QWHCGFSZSA-N 2 2 241.379 0.391 20 0 BCADLP COCCN1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000328209146 346901186 /nfs/dbraw/zinc/90/11/86/346901186.db2.gz UWOJPIRGKSZGJU-QWHCGFSZSA-N 2 2 241.379 0.391 20 0 BCADLP COCCN1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000328209144 346901201 /nfs/dbraw/zinc/90/12/01/346901201.db2.gz UWOJPIRGKSZGJU-CHWSQXEVSA-N 2 2 241.379 0.391 20 0 BCADLP COCCN1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000328209144 346901204 /nfs/dbraw/zinc/90/12/04/346901204.db2.gz UWOJPIRGKSZGJU-CHWSQXEVSA-N 2 2 241.379 0.391 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](C)[C@@H]2CO)n1C ZINC000668035355 488192386 /nfs/dbraw/zinc/19/23/86/488192386.db2.gz JUHXCXBKRYRSNW-CABZTGNLSA-N 2 2 223.320 0.931 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)n1C ZINC000668035355 488192388 /nfs/dbraw/zinc/19/23/88/488192388.db2.gz JUHXCXBKRYRSNW-CABZTGNLSA-N 2 2 223.320 0.931 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)NC(C)(C)C[NH3+] ZINC000493060536 529552743 /nfs/dbraw/zinc/55/27/43/529552743.db2.gz YGKKPYRBVVRYQB-AATRIKPKSA-N 2 2 236.319 0.770 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000493081434 529555792 /nfs/dbraw/zinc/55/57/92/529555792.db2.gz HARNQNCGUOCZPV-GMCFVEKCSA-N 2 2 236.319 0.768 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N[C@H]1CC[NH2+]C1 ZINC000493576117 529556220 /nfs/dbraw/zinc/55/62/20/529556220.db2.gz DFZIVFPISJLWOQ-FSIBCCDJSA-N 2 2 234.303 0.394 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)NCC(C)(C)[NH3+] ZINC000493055653 529558904 /nfs/dbraw/zinc/55/89/04/529558904.db2.gz SSFQZDJEJDLPJR-WAYWQWQTSA-N 2 2 236.319 0.770 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000493411460 529559432 /nfs/dbraw/zinc/55/94/32/529559432.db2.gz BBPFPBRZWDGYDP-GZTOBOFZSA-N 2 2 248.330 0.784 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)NCC[C@H](C)[NH3+] ZINC000493186990 529560014 /nfs/dbraw/zinc/56/00/14/529560014.db2.gz LJVQYBDLYHYQNQ-LWTINBJPSA-N 2 2 236.319 0.770 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N(C)CC[NH2+]C ZINC000493536341 529549340 /nfs/dbraw/zinc/54/93/40/529549340.db2.gz ZNUWTVGBUNTMLY-AATRIKPKSA-N 2 2 236.319 0.594 20 0 BCADLP Cn1cc(C[NH2+]CCCn2cc[nH+]c2)cn1 ZINC000020306011 342981197 /nfs/dbraw/zinc/98/11/97/342981197.db2.gz XJYJXAFNLSPVMQ-UHFFFAOYSA-N 2 2 219.292 0.797 20 0 BCADLP CCOC(=O)C(C)(C)[NH2+]CCc1c[nH+]cn1C ZINC000602774405 349728444 /nfs/dbraw/zinc/72/84/44/349728444.db2.gz YVLPFHZLIHEGET-UHFFFAOYSA-N 2 2 239.319 0.894 20 0 BCADLP COC[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000261980993 536785473 /nfs/dbraw/zinc/78/54/73/536785473.db2.gz RHRWNXADIHJNFJ-AGIUHOORSA-N 2 2 242.363 0.722 20 0 BCADLP COC[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000261980993 536785476 /nfs/dbraw/zinc/78/54/76/536785476.db2.gz RHRWNXADIHJNFJ-AGIUHOORSA-N 2 2 242.363 0.722 20 0 BCADLP COC[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H](C)O1 ZINC000262093887 536785493 /nfs/dbraw/zinc/78/54/93/536785493.db2.gz UZUYHFULUDPQRP-AVGNSLFASA-N 2 2 242.363 0.722 20 0 BCADLP COC[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H](C)O1 ZINC000262093887 536785496 /nfs/dbraw/zinc/78/54/96/536785496.db2.gz UZUYHFULUDPQRP-AVGNSLFASA-N 2 2 242.363 0.722 20 0 BCADLP CCN(C#N)CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000602843097 349780466 /nfs/dbraw/zinc/78/04/66/349780466.db2.gz ZCKROPZJDQFINN-ZDUSSCGKSA-N 2 2 236.363 0.817 20 0 BCADLP CCN(C#N)CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000602843097 349780468 /nfs/dbraw/zinc/78/04/68/349780468.db2.gz ZCKROPZJDQFINN-ZDUSSCGKSA-N 2 2 236.363 0.817 20 0 BCADLP CCN(C#N)CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000602843097 349780469 /nfs/dbraw/zinc/78/04/69/349780469.db2.gz ZCKROPZJDQFINN-ZDUSSCGKSA-N 2 2 236.363 0.817 20 0 BCADLP CCN(C#N)CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000602843097 349780471 /nfs/dbraw/zinc/78/04/71/349780471.db2.gz ZCKROPZJDQFINN-ZDUSSCGKSA-N 2 2 236.363 0.817 20 0 BCADLP C[C@@H](C(=O)Nc1ccc(N)[nH+]c1)[C@H](C)[NH3+] ZINC000309459296 259343395 /nfs/dbraw/zinc/34/33/95/259343395.db2.gz OKCQHZOKKRKDKZ-RQJHMYQMSA-N 2 2 208.265 0.586 20 0 BCADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCCO)CC1 ZINC000572971734 323037710 /nfs/dbraw/zinc/03/77/10/323037710.db2.gz IQUCSNUMXYIKGW-GFCCVEGCSA-N 2 2 242.363 0.554 20 0 BCADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCCO)CC1 ZINC000572971734 323037711 /nfs/dbraw/zinc/03/77/11/323037711.db2.gz IQUCSNUMXYIKGW-GFCCVEGCSA-N 2 2 242.363 0.554 20 0 BCADLP COc1c(N)nc[nH+]c1NC1CC[NH+](C)CC1 ZINC000134823029 343195695 /nfs/dbraw/zinc/19/56/95/343195695.db2.gz LTZODFZWBHPCBV-UHFFFAOYSA-N 2 2 237.307 0.574 20 0 BCADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000149116825 343196444 /nfs/dbraw/zinc/19/64/44/343196444.db2.gz PZBMAKLJVNBBNB-ONGXEEELSA-N 2 2 225.336 0.134 20 0 BCADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000149116825 343196446 /nfs/dbraw/zinc/19/64/46/343196446.db2.gz PZBMAKLJVNBBNB-ONGXEEELSA-N 2 2 225.336 0.134 20 0 BCADLP Nc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)c[nH+]1 ZINC000237858992 343213942 /nfs/dbraw/zinc/21/39/42/343213942.db2.gz UCEAFXGKULMVCQ-QMMMGPOBSA-N 2 2 206.249 0.354 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC000133603004 343190873 /nfs/dbraw/zinc/19/08/73/343190873.db2.gz YHGDNDXDQWRXFC-UWVGGRQHSA-N 2 2 225.336 0.419 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N(C)C1CC1 ZINC000133603004 343190876 /nfs/dbraw/zinc/19/08/76/343190876.db2.gz YHGDNDXDQWRXFC-UWVGGRQHSA-N 2 2 225.336 0.419 20 0 BCADLP COc1c(N)[nH+]cnc1NCC[NH+]1CCCC1 ZINC000134879850 343191662 /nfs/dbraw/zinc/19/16/62/343191662.db2.gz SBIXQBJDIMRGMO-UHFFFAOYSA-N 2 2 237.307 0.575 20 0 BCADLP COc1c(N)[nH+]cnc1NC[C@H](C)[NH+](C)C ZINC000134869610 343191711 /nfs/dbraw/zinc/19/17/11/343191711.db2.gz BHUKPQMNPPBTKD-ZETCQYMHSA-N 2 2 225.296 0.429 20 0 BCADLP COc1cc[nH+]c(Cn2cc(CCC[NH3+])nn2)c1 ZINC000641030808 362145199 /nfs/dbraw/zinc/14/51/99/362145199.db2.gz KWDDPRIVLKPBKI-UHFFFAOYSA-N 2 2 247.302 0.621 20 0 BCADLP COCC[N@H+](CC(C)C)C[C@H]1C[NH2+]CCO1 ZINC000043802882 488209613 /nfs/dbraw/zinc/20/96/13/488209613.db2.gz NMVLLVWGCLUGNB-GFCCVEGCSA-N 2 2 230.352 0.579 20 0 BCADLP COCC[N@@H+](CC(C)C)C[C@H]1C[NH2+]CCO1 ZINC000043802882 488209618 /nfs/dbraw/zinc/20/96/18/488209618.db2.gz NMVLLVWGCLUGNB-GFCCVEGCSA-N 2 2 230.352 0.579 20 0 BCADLP CC[C@](C)([NH3+])c1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641035507 362147526 /nfs/dbraw/zinc/14/75/26/362147526.db2.gz MFQGQYUGSOHKFL-JTQLQIEISA-N 2 2 220.280 0.633 20 0 BCADLP CC[C@@H](C(=O)NCCc1c[nH+]cn1C)[NH+](C)C ZINC000121613080 343268287 /nfs/dbraw/zinc/26/82/87/343268287.db2.gz WATSPIZMEPVYTD-NSHDSACASA-N 2 2 238.335 0.419 20 0 BCADLP CCC[C@H]([NH3+])c1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641035700 362147712 /nfs/dbraw/zinc/14/77/12/362147712.db2.gz VTKSWFIDWMHHLO-VIFPVBQESA-N 2 2 220.280 0.849 20 0 BCADLP CC[NH+](CC)Cc1cn(Cc2c[nH+]cn2C)nn1 ZINC000641038822 362151746 /nfs/dbraw/zinc/15/17/46/362151746.db2.gz TWKLKPDGYLLGCR-UHFFFAOYSA-N 2 2 248.334 0.902 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CSC[NH2+]1 ZINC000036999441 343330004 /nfs/dbraw/zinc/33/00/04/343330004.db2.gz ZYCAHAFCGVRKOU-DTWKUNHWSA-N 2 2 240.332 0.050 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CSC[NH2+]1 ZINC000036999439 343330207 /nfs/dbraw/zinc/33/02/07/343330207.db2.gz ZYCAHAFCGVRKOU-IUCAKERBSA-N 2 2 240.332 0.050 20 0 BCADLP CC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1CCOC ZINC000584048125 343306600 /nfs/dbraw/zinc/30/66/00/343306600.db2.gz DNKUWJHTOGHTOI-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP CC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1CCOC ZINC000584048125 343306601 /nfs/dbraw/zinc/30/66/01/343306601.db2.gz DNKUWJHTOGHTOI-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP Cn1c[nH+]c(Cn2cc(C[NH+]3CCCC3)nn2)c1 ZINC000641053576 362163377 /nfs/dbraw/zinc/16/33/77/362163377.db2.gz JYVMYAQNBSYXOD-UHFFFAOYSA-N 2 2 246.318 0.656 20 0 BCADLP Cn1c[nH+]c(Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)c1 ZINC000641053731 362163899 /nfs/dbraw/zinc/16/38/99/362163899.db2.gz MZQJELHEJOTUSA-JTQLQIEISA-N 2 2 246.318 0.212 20 0 BCADLP Cn1c[nH+]c(Cn2cc(C[NH2+]C3CC3)nn2)c1 ZINC000641053798 362164060 /nfs/dbraw/zinc/16/40/60/362164060.db2.gz OJDFETBTLZAHEQ-UHFFFAOYSA-N 2 2 232.291 0.312 20 0 BCADLP Cc1c[nH+]c(CN(C)CC[NH+](C)C)n1C ZINC000348895148 136303901 /nfs/dbraw/zinc/30/39/01/136303901.db2.gz PWICPSJWRFTZGQ-UHFFFAOYSA-N 2 2 210.325 0.722 20 0 BCADLP CN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[NH2+]C1 ZINC000037469724 343346299 /nfs/dbraw/zinc/34/62/99/343346299.db2.gz VPYABCZHRUGSHG-JTQLQIEISA-N 2 2 222.292 0.094 20 0 BCADLP OCCC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000148033483 343387373 /nfs/dbraw/zinc/38/73/73/343387373.db2.gz FMESLCUHZOBCFT-UHFFFAOYSA-N 2 2 228.336 0.165 20 0 BCADLP CCC[C@](C)([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000041051055 343414181 /nfs/dbraw/zinc/41/41/81/343414181.db2.gz KVQHOJPRGVGXAX-NSHDSACASA-N 2 2 224.308 0.517 20 0 BCADLP CNC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335684837 136330030 /nfs/dbraw/zinc/33/00/30/136330030.db2.gz CCNDOJKMUSGPGH-UHFFFAOYSA-N 2 2 222.292 0.335 20 0 BCADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCOC3=O)CC[C@H]21 ZINC000247980378 136373350 /nfs/dbraw/zinc/37/33/50/136373350.db2.gz IHPDGEABQJCQPI-UTUOFQBUSA-N 2 2 238.331 0.718 20 0 BCADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCOC3=O)CC[C@H]21 ZINC000247980378 136373351 /nfs/dbraw/zinc/37/33/51/136373351.db2.gz IHPDGEABQJCQPI-UTUOFQBUSA-N 2 2 238.331 0.718 20 0 BCADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCOC3=O)CC[C@H]21 ZINC000247980378 136373352 /nfs/dbraw/zinc/37/33/52/136373352.db2.gz IHPDGEABQJCQPI-UTUOFQBUSA-N 2 2 238.331 0.718 20 0 BCADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCOC3=O)CC[C@H]21 ZINC000247980378 136373353 /nfs/dbraw/zinc/37/33/53/136373353.db2.gz IHPDGEABQJCQPI-UTUOFQBUSA-N 2 2 238.331 0.718 20 0 BCADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCOC3=O)CC[C@H]21 ZINC000247980376 136373431 /nfs/dbraw/zinc/37/34/31/136373431.db2.gz IHPDGEABQJCQPI-IJLUTSLNSA-N 2 2 238.331 0.718 20 0 BCADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCOC3=O)CC[C@H]21 ZINC000247980376 136373432 /nfs/dbraw/zinc/37/34/32/136373432.db2.gz IHPDGEABQJCQPI-IJLUTSLNSA-N 2 2 238.331 0.718 20 0 BCADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCOC3=O)CC[C@H]21 ZINC000247980376 136373433 /nfs/dbraw/zinc/37/34/33/136373433.db2.gz IHPDGEABQJCQPI-IJLUTSLNSA-N 2 2 238.331 0.718 20 0 BCADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCOC3=O)CC[C@H]21 ZINC000247980376 136373434 /nfs/dbraw/zinc/37/34/34/136373434.db2.gz IHPDGEABQJCQPI-IJLUTSLNSA-N 2 2 238.331 0.718 20 0 BCADLP C[N@H+](CC[NH2+]CC1(O)CCCC1)C1CC1 ZINC000083587140 343489598 /nfs/dbraw/zinc/48/95/98/343489598.db2.gz QWTPWQYHQPTSPG-UHFFFAOYSA-N 2 2 212.337 0.975 20 0 BCADLP C[N@@H+](CC[NH2+]CC1(O)CCCC1)C1CC1 ZINC000083587140 343489600 /nfs/dbraw/zinc/48/96/00/343489600.db2.gz QWTPWQYHQPTSPG-UHFFFAOYSA-N 2 2 212.337 0.975 20 0 BCADLP CC(C)C[N@H+](CC(N)=O)CC(C)(C)[NH3+] ZINC000308974230 346945249 /nfs/dbraw/zinc/94/52/49/346945249.db2.gz GCMVZCGFJASPMN-UHFFFAOYSA-N 2 2 201.314 0.167 20 0 BCADLP CC(C)C[N@@H+](CC(N)=O)CC(C)(C)[NH3+] ZINC000308974230 346945251 /nfs/dbraw/zinc/94/52/51/346945251.db2.gz GCMVZCGFJASPMN-UHFFFAOYSA-N 2 2 201.314 0.167 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccoc1 ZINC000580550946 365755196 /nfs/dbraw/zinc/75/51/96/365755196.db2.gz KQQRECLMVIMZKG-KOLCDFICSA-N 2 2 210.277 0.919 20 0 BCADLP C[NH+](C)C1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC000622721459 343574288 /nfs/dbraw/zinc/57/42/88/343574288.db2.gz RSDUCLLNDVXRFP-UHFFFAOYSA-N 2 2 236.319 0.484 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C[NH3+])C(C)C ZINC000379966521 365769042 /nfs/dbraw/zinc/76/90/42/365769042.db2.gz HVEQNEBPZMWYER-VIFPVBQESA-N 2 2 224.308 0.565 20 0 BCADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1[nH]c[nH+]c1C ZINC000379974841 365772209 /nfs/dbraw/zinc/77/22/09/365772209.db2.gz QASNIXBNGBQWRE-GMSGAONNSA-N 2 2 224.308 0.708 20 0 BCADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnnn1C ZINC000577026125 365773657 /nfs/dbraw/zinc/77/36/57/365773657.db2.gz ITJZORMDUZQACS-CMPLNLGQSA-N 2 2 237.351 0.587 20 0 BCADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnnn1C ZINC000577026125 365773663 /nfs/dbraw/zinc/77/36/63/365773663.db2.gz ITJZORMDUZQACS-CMPLNLGQSA-N 2 2 237.351 0.587 20 0 BCADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnnn1C ZINC000577026125 365773668 /nfs/dbraw/zinc/77/36/68/365773668.db2.gz ITJZORMDUZQACS-CMPLNLGQSA-N 2 2 237.351 0.587 20 0 BCADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnnn1C ZINC000577026125 365773673 /nfs/dbraw/zinc/77/36/73/365773673.db2.gz ITJZORMDUZQACS-CMPLNLGQSA-N 2 2 237.351 0.587 20 0 BCADLP [NH3+]CC[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000221922683 343680188 /nfs/dbraw/zinc/68/01/88/343680188.db2.gz JOUFCENBFSDOQF-LLVKDONJSA-N 2 2 225.336 0.280 20 0 BCADLP [NH3+]CC[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000221922683 343680191 /nfs/dbraw/zinc/68/01/91/343680191.db2.gz JOUFCENBFSDOQF-LLVKDONJSA-N 2 2 225.336 0.280 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1CCCCO1 ZINC000380063242 343675559 /nfs/dbraw/zinc/67/55/59/343675559.db2.gz OXCZUGFDKYZLAJ-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1CCCCO1 ZINC000380063242 343675562 /nfs/dbraw/zinc/67/55/62/343675562.db2.gz OXCZUGFDKYZLAJ-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H]1CCCCO1 ZINC000380063242 343675565 /nfs/dbraw/zinc/67/55/65/343675565.db2.gz OXCZUGFDKYZLAJ-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H]1CCCCO1 ZINC000380063242 343675567 /nfs/dbraw/zinc/67/55/67/343675567.db2.gz OXCZUGFDKYZLAJ-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@H](C(=O)OC)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000379944390 343658273 /nfs/dbraw/zinc/65/82/73/343658273.db2.gz QDESUNRMEHMVLW-KXUCPTDWSA-N 2 2 212.293 0.089 20 0 BCADLP CC[C@H](C(=O)OC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000379944390 343658274 /nfs/dbraw/zinc/65/82/74/343658274.db2.gz QDESUNRMEHMVLW-KXUCPTDWSA-N 2 2 212.293 0.089 20 0 BCADLP Cc1nn(C)c(C)c1C[NH2+]CC(C)(C)[NH3+] ZINC000379936746 343658431 /nfs/dbraw/zinc/65/84/31/343658431.db2.gz XRRMIDJFKYDRRA-UHFFFAOYSA-N 2 2 210.325 0.864 20 0 BCADLP CC[C@@H](C(=O)OC)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000379944371 343658478 /nfs/dbraw/zinc/65/84/78/343658478.db2.gz QDESUNRMEHMVLW-AEJSXWLSSA-N 2 2 212.293 0.089 20 0 BCADLP CC[C@@H](C(=O)OC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000379944371 343658481 /nfs/dbraw/zinc/65/84/81/343658481.db2.gz QDESUNRMEHMVLW-AEJSXWLSSA-N 2 2 212.293 0.089 20 0 BCADLP Cn1nccc1CC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625437449 343740047 /nfs/dbraw/zinc/74/00/47/343740047.db2.gz RRJDSHDAGMNBDH-UHFFFAOYSA-N 2 2 231.303 0.744 20 0 BCADLP Cn1nccc1CC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625437449 343740048 /nfs/dbraw/zinc/74/00/48/343740048.db2.gz RRJDSHDAGMNBDH-UHFFFAOYSA-N 2 2 231.303 0.744 20 0 BCADLP Cc1[nH+]cc(C[N@@H+](C[C@@H](O)CO)C(C)C)n1C ZINC000668245251 537807337 /nfs/dbraw/zinc/80/73/37/537807337.db2.gz YGTYFFCVHUHOBL-GFCCVEGCSA-N 2 2 241.335 0.292 20 0 BCADLP Cc1[nH+]cc(C[N@H+](C[C@@H](O)CO)C(C)C)n1C ZINC000668245251 537807343 /nfs/dbraw/zinc/80/73/43/537807343.db2.gz YGTYFFCVHUHOBL-GFCCVEGCSA-N 2 2 241.335 0.292 20 0 BCADLP COC[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000584149650 343765652 /nfs/dbraw/zinc/76/56/52/343765652.db2.gz HFIKRKTUUWXORM-SNVBAGLBSA-N 2 2 224.308 0.567 20 0 BCADLP CC(C)OCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000683895050 488238302 /nfs/dbraw/zinc/23/83/02/488238302.db2.gz ACMXVAYFGGZIOY-UHFFFAOYSA-N 2 2 238.335 0.957 20 0 BCADLP CCn1ncnc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000570582850 323064099 /nfs/dbraw/zinc/06/40/99/323064099.db2.gz LITWXUYTHXTIEX-VHSXEESVSA-N 2 2 223.324 0.658 20 0 BCADLP Cn1c[nH+]cc1CCn1cc(C[NH2+]C2CC2)nn1 ZINC000641175415 362252891 /nfs/dbraw/zinc/25/28/91/362252891.db2.gz RMUXMTBYOCBFHN-UHFFFAOYSA-N 2 2 246.318 0.506 20 0 BCADLP CO[C@H](C)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625545723 343932109 /nfs/dbraw/zinc/93/21/09/343932109.db2.gz HBMWXGPKYWEYPI-GFCCVEGCSA-N 2 2 242.363 0.818 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000335892913 344044691 /nfs/dbraw/zinc/04/46/91/344044691.db2.gz WOSGDDPOMKPAFH-VIFPVBQESA-N 2 2 247.289 0.148 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)CC1(C)COC1 ZINC000625790569 344078113 /nfs/dbraw/zinc/07/81/13/344078113.db2.gz DRBQCYOQWDRMCB-UHFFFAOYSA-N 2 2 223.320 0.931 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)CC1(C)COC1 ZINC000625790569 344078115 /nfs/dbraw/zinc/07/81/15/344078115.db2.gz DRBQCYOQWDRMCB-UHFFFAOYSA-N 2 2 223.320 0.931 20 0 BCADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cnnn1C ZINC000129736531 344214478 /nfs/dbraw/zinc/21/44/78/344214478.db2.gz RPZURFODPSIUSJ-VIFPVBQESA-N 2 2 211.313 0.245 20 0 BCADLP C[C@@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C)[NH+](C)C ZINC000678430465 488255734 /nfs/dbraw/zinc/25/57/34/488255734.db2.gz QPMSBYNXPYIDIV-VWYCJHECSA-N 2 2 227.352 0.488 20 0 BCADLP c1cn(CCC[NH2+]CC2CC[NH2+]CC2)c[nH+]1 ZINC000086700417 344221399 /nfs/dbraw/zinc/22/13/99/344221399.db2.gz OZDDHJFGRHZKER-UHFFFAOYSA-N 3 2 222.336 0.862 20 0 BCADLP CC[C@H](CO)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000131994748 344244533 /nfs/dbraw/zinc/24/45/33/344244533.db2.gz ZENHJIDROXTYSW-HBNTYKKESA-N 2 2 212.337 0.972 20 0 BCADLP CC[C@H](CO)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000131994748 344244537 /nfs/dbraw/zinc/24/45/37/344244537.db2.gz ZENHJIDROXTYSW-HBNTYKKESA-N 2 2 212.337 0.972 20 0 BCADLP COC(=O)CCCC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000600704819 344360377 /nfs/dbraw/zinc/36/03/77/344360377.db2.gz QFUXDNJALMIYGL-QWRGUYRKSA-N 2 2 244.335 0.378 20 0 BCADLP COC(=O)CCCC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000600704819 344360378 /nfs/dbraw/zinc/36/03/78/344360378.db2.gz QFUXDNJALMIYGL-QWRGUYRKSA-N 2 2 244.335 0.378 20 0 BCADLP Cc1cc(C)n(CC[N@H+]2C[C@@H]([NH3+])C[C@H]2C)n1 ZINC000385208771 344376491 /nfs/dbraw/zinc/37/64/91/344376491.db2.gz CZKPFHGVXSCNHT-PWSUYJOCSA-N 2 2 222.336 0.921 20 0 BCADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)n1 ZINC000385208771 344376492 /nfs/dbraw/zinc/37/64/92/344376492.db2.gz CZKPFHGVXSCNHT-PWSUYJOCSA-N 2 2 222.336 0.921 20 0 BCADLP Cc1cnn(CC[N@H+]2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC000385216065 344377164 /nfs/dbraw/zinc/37/71/64/344377164.db2.gz ZSCIBBSJMGRYKX-MNOVXSKESA-N 2 2 208.309 0.613 20 0 BCADLP Cc1cnn(CC[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC000385216065 344377165 /nfs/dbraw/zinc/37/71/65/344377165.db2.gz ZSCIBBSJMGRYKX-MNOVXSKESA-N 2 2 208.309 0.613 20 0 BCADLP COCCOCC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000385227397 344378823 /nfs/dbraw/zinc/37/88/23/344378823.db2.gz IHJNWOAZYKLULL-VHSXEESVSA-N 2 2 202.298 0.071 20 0 BCADLP COCCOCC[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000385227397 344378824 /nfs/dbraw/zinc/37/88/24/344378824.db2.gz IHJNWOAZYKLULL-VHSXEESVSA-N 2 2 202.298 0.071 20 0 BCADLP C[N@@H+]1CCN(c2[nH+]cnc3[nH]ccc32)[C@H](CO)C1 ZINC000634801486 344384699 /nfs/dbraw/zinc/38/46/99/344384699.db2.gz AHSJKXMQYAVIME-VIFPVBQESA-N 2 2 247.302 0.071 20 0 BCADLP C[N@H+]1CCN(c2[nH+]cnc3[nH]ccc32)[C@H](CO)C1 ZINC000634801486 344384701 /nfs/dbraw/zinc/38/47/01/344384701.db2.gz AHSJKXMQYAVIME-VIFPVBQESA-N 2 2 247.302 0.071 20 0 BCADLP c1nc(N[C@@H]2CC[NH2+]C2)c2c([nH+]1)NCCO2 ZINC000634809032 344393875 /nfs/dbraw/zinc/39/38/75/344393875.db2.gz IZOIZVYVWWERCO-SSDOTTSWSA-N 2 2 221.264 0.055 20 0 BCADLP CN(c1nc[nH+]c2c1OCCN2)[C@@H](C[NH3+])C1CC1 ZINC000634811669 344396481 /nfs/dbraw/zinc/39/64/81/344396481.db2.gz MVUSWBNAWREREW-VIFPVBQESA-N 2 2 249.318 0.454 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C1CC[NH2+]CC1 ZINC000036999313 344484997 /nfs/dbraw/zinc/48/49/97/344484997.db2.gz CFRPSTLXCLLDND-JTQLQIEISA-N 2 2 236.319 0.387 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000037822967 344593029 /nfs/dbraw/zinc/59/30/29/344593029.db2.gz NQEMKZQQEYYPLV-SNVBAGLBSA-N 2 2 236.319 0.378 20 0 BCADLP C[NH+](C)C[C@@](C)(O)CNc1cc(CO)cc[nH+]1 ZINC000641458846 362432394 /nfs/dbraw/zinc/43/23/94/362432394.db2.gz LBKBVUSUQSDLQP-LBPRGKRZSA-N 2 2 239.319 0.298 20 0 BCADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCC(N)=O ZINC000309814415 259377942 /nfs/dbraw/zinc/37/79/42/259377942.db2.gz NTTPRTWCNLSLMO-GFCCVEGCSA-N 2 2 249.358 0.972 20 0 BCADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCC(N)=O ZINC000309814415 259377944 /nfs/dbraw/zinc/37/79/44/259377944.db2.gz NTTPRTWCNLSLMO-GFCCVEGCSA-N 2 2 249.358 0.972 20 0 BCADLP C[C@@H]1CN(c2cc[nH+]cc2F)CC[N@@H+]1CCO ZINC000641505269 362467730 /nfs/dbraw/zinc/46/77/30/362467730.db2.gz YEDJPSXCMCOGCB-SNVBAGLBSA-N 2 2 239.294 0.724 20 0 BCADLP C[C@@H]1CN(c2cc[nH+]cc2F)CC[N@H+]1CCO ZINC000641505269 362467735 /nfs/dbraw/zinc/46/77/35/362467735.db2.gz YEDJPSXCMCOGCB-SNVBAGLBSA-N 2 2 239.294 0.724 20 0 BCADLP CC(C)OCC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000574033955 344604717 /nfs/dbraw/zinc/60/47/17/344604717.db2.gz VFLILBLTRUMVOG-OLZOCXBDSA-N 2 2 244.379 0.846 20 0 BCADLP CC(C)OCC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000574033955 344604719 /nfs/dbraw/zinc/60/47/19/344604719.db2.gz VFLILBLTRUMVOG-OLZOCXBDSA-N 2 2 244.379 0.846 20 0 BCADLP CC(C)OCC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000574033956 344604732 /nfs/dbraw/zinc/60/47/32/344604732.db2.gz VFLILBLTRUMVOG-QWHCGFSZSA-N 2 2 244.379 0.846 20 0 BCADLP CC(C)OCC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000574033956 344604734 /nfs/dbraw/zinc/60/47/34/344604734.db2.gz VFLILBLTRUMVOG-QWHCGFSZSA-N 2 2 244.379 0.846 20 0 BCADLP CCSCC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000158585792 344684961 /nfs/dbraw/zinc/68/49/61/344684961.db2.gz OVCZJELFFPWCRJ-NXEZZACHSA-N 2 2 218.366 0.788 20 0 BCADLP CCSCC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000158585792 344684962 /nfs/dbraw/zinc/68/49/62/344684962.db2.gz OVCZJELFFPWCRJ-NXEZZACHSA-N 2 2 218.366 0.788 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038732 344688354 /nfs/dbraw/zinc/68/83/54/344688354.db2.gz ADIJSINBKXOFNR-AOOOYVTPSA-N 2 2 222.292 0.079 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038732 344688356 /nfs/dbraw/zinc/68/83/56/344688356.db2.gz ADIJSINBKXOFNR-AOOOYVTPSA-N 2 2 222.292 0.079 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493285731 530057208 /nfs/dbraw/zinc/05/72/08/530057208.db2.gz ALHLIZZTGBWPPI-ORAHPGNNSA-N 2 2 234.303 0.633 20 0 BCADLP C[N@H+]1CCC[C@@H]1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493285731 530057209 /nfs/dbraw/zinc/05/72/09/530057209.db2.gz ALHLIZZTGBWPPI-ORAHPGNNSA-N 2 2 234.303 0.633 20 0 BCADLP C[N@@H+]1CCC[C@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492812985 530061233 /nfs/dbraw/zinc/06/12/33/530061233.db2.gz OEIHGVQKGLSAEX-SGUJLRQBSA-N 2 2 248.330 0.881 20 0 BCADLP C[N@H+]1CCC[C@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492812985 530061234 /nfs/dbraw/zinc/06/12/34/530061234.db2.gz OEIHGVQKGLSAEX-SGUJLRQBSA-N 2 2 248.330 0.881 20 0 BCADLP CN(C)c1nc(N2CC[NH+](C3CC3)CC2)cc[nH+]1 ZINC000077489632 344820760 /nfs/dbraw/zinc/82/07/60/344820760.db2.gz PVQITVXFKBVOPY-UHFFFAOYSA-N 2 2 247.346 0.827 20 0 BCADLP CC[C@@H](COC)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000153327761 344852254 /nfs/dbraw/zinc/85/22/54/344852254.db2.gz BGIWGXHBNJKORW-OLZOCXBDSA-N 2 2 244.379 0.969 20 0 BCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(N)=O)C1 ZINC000174946778 323080638 /nfs/dbraw/zinc/08/06/38/323080638.db2.gz ZBZVETVLOGPBOC-JTQLQIEISA-N 2 2 213.325 0.135 20 0 BCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(N)=O)C1 ZINC000174946778 323080639 /nfs/dbraw/zinc/08/06/39/323080639.db2.gz ZBZVETVLOGPBOC-JTQLQIEISA-N 2 2 213.325 0.135 20 0 BCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC000174946778 323080640 /nfs/dbraw/zinc/08/06/40/323080640.db2.gz ZBZVETVLOGPBOC-JTQLQIEISA-N 2 2 213.325 0.135 20 0 BCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC000174946778 323080641 /nfs/dbraw/zinc/08/06/41/323080641.db2.gz ZBZVETVLOGPBOC-JTQLQIEISA-N 2 2 213.325 0.135 20 0 BCADLP COC[C@H](C)C[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000583421818 344934216 /nfs/dbraw/zinc/93/42/16/344934216.db2.gz UKNNWAWLXIVZOG-CHWSQXEVSA-N 2 2 244.379 0.705 20 0 BCADLP COC[C@H](C)C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000583421818 344934217 /nfs/dbraw/zinc/93/42/17/344934217.db2.gz UKNNWAWLXIVZOG-CHWSQXEVSA-N 2 2 244.379 0.705 20 0 BCADLP COC[C@@H](C)C[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000583421821 344934401 /nfs/dbraw/zinc/93/44/01/344934401.db2.gz UKNNWAWLXIVZOG-STQMWFEESA-N 2 2 244.379 0.705 20 0 BCADLP COC[C@@H](C)C[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000583421821 344934403 /nfs/dbraw/zinc/93/44/03/344934403.db2.gz UKNNWAWLXIVZOG-STQMWFEESA-N 2 2 244.379 0.705 20 0 BCADLP C[C@H](CO)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000678722073 488278864 /nfs/dbraw/zinc/27/88/64/488278864.db2.gz SJKRQXKYEQIKAU-NSHDSACASA-N 2 2 211.309 0.833 20 0 BCADLP C[C@H](CO)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000678722073 488278868 /nfs/dbraw/zinc/27/88/68/488278868.db2.gz SJKRQXKYEQIKAU-NSHDSACASA-N 2 2 211.309 0.833 20 0 BCADLP COCCn1cc(C[N@H+](C)C2CC([NH3+])C2)cn1 ZINC000574691670 344962169 /nfs/dbraw/zinc/96/21/69/344962169.db2.gz LCQXYUZIUHOGKQ-UHFFFAOYSA-N 2 2 238.335 0.451 20 0 BCADLP COCCn1cc(C[N@@H+](C)C2CC([NH3+])C2)cn1 ZINC000574691670 344962171 /nfs/dbraw/zinc/96/21/71/344962171.db2.gz LCQXYUZIUHOGKQ-UHFFFAOYSA-N 2 2 238.335 0.451 20 0 BCADLP Cc1n[nH]cc1C[NH2+]CCC[NH+]1CCC1 ZINC000583451443 344999286 /nfs/dbraw/zinc/99/92/86/344999286.db2.gz VAQXASMVAMDJJH-UHFFFAOYSA-N 2 2 208.309 0.904 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000156072112 345122883 /nfs/dbraw/zinc/12/28/83/345122883.db2.gz JIHUBZGMNZPTHX-WDEREUQCSA-N 2 2 227.352 0.347 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000156072112 345122886 /nfs/dbraw/zinc/12/28/86/345122886.db2.gz JIHUBZGMNZPTHX-WDEREUQCSA-N 2 2 227.352 0.347 20 0 BCADLP c1cn(CCC[NH2+]CC23CC(C2)C[NH2+]3)c[nH+]1 ZINC000634996716 345191381 /nfs/dbraw/zinc/19/13/81/345191381.db2.gz RTRRLOQNIYJYCL-UHFFFAOYSA-N 3 2 220.320 0.615 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000634991301 345173990 /nfs/dbraw/zinc/17/39/90/345173990.db2.gz YHWXBCJHVUYWMO-TUAOUCFPSA-N 3 2 213.369 0.886 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000634991301 345173991 /nfs/dbraw/zinc/17/39/91/345173991.db2.gz YHWXBCJHVUYWMO-TUAOUCFPSA-N 3 2 213.369 0.886 20 0 BCADLP C[NH2+]C1CC[NH+](C[C@H](C[NH3+])C(C)C)CC1 ZINC000634990953 345174036 /nfs/dbraw/zinc/17/40/36/345174036.db2.gz IXBLWQUWADFZCY-NSHDSACASA-N 3 2 213.369 0.901 20 0 BCADLP CN(Cc1[nH+]ccn1C)CC12CC(C1)C[NH2+]2 ZINC000634993441 345190342 /nfs/dbraw/zinc/19/03/42/345190342.db2.gz UUSMUHKWBZGWCR-UHFFFAOYSA-N 2 2 220.320 0.604 20 0 BCADLP COCC[NH+](CCOC)CC12CC(C1)C[NH2+]2 ZINC000634991339 345176695 /nfs/dbraw/zinc/17/66/95/345176695.db2.gz AEKZXVXFTIVBPX-UHFFFAOYSA-N 2 2 228.336 0.333 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000634991736 345178515 /nfs/dbraw/zinc/17/85/15/345178515.db2.gz PVACGGNUJSXGDT-TUAOUCFPSA-N 3 2 229.368 0.265 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000634991736 345178516 /nfs/dbraw/zinc/17/85/16/345178516.db2.gz PVACGGNUJSXGDT-TUAOUCFPSA-N 3 2 229.368 0.265 20 0 BCADLP CC1(C)C[N@H+](CC23CC(C2)C[NH2+]3)C[C@@H]1O ZINC000634995176 345183556 /nfs/dbraw/zinc/18/35/56/345183556.db2.gz XOMYKAZEIABSIT-YZRBJQDESA-N 2 2 210.321 0.441 20 0 BCADLP CC1(C)C[N@@H+](CC23CC(C2)C[NH2+]3)C[C@@H]1O ZINC000634995176 345183558 /nfs/dbraw/zinc/18/35/58/345183558.db2.gz XOMYKAZEIABSIT-YZRBJQDESA-N 2 2 210.321 0.441 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)CC12CC(C1)C[NH2+]2 ZINC000634996873 345184381 /nfs/dbraw/zinc/18/43/81/345184381.db2.gz XQBDXUXFCGEDGF-UHFFFAOYSA-N 2 2 206.293 0.594 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)CC12CC(C1)C[NH2+]2 ZINC000634996873 345184385 /nfs/dbraw/zinc/18/43/85/345184385.db2.gz XQBDXUXFCGEDGF-UHFFFAOYSA-N 2 2 206.293 0.594 20 0 BCADLP C[NH+](C)CCC[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634949165 345125847 /nfs/dbraw/zinc/12/58/47/345125847.db2.gz JCSKFTANALCPQX-NSHDSACASA-N 2 2 248.392 0.495 20 0 BCADLP C([N@@H+]1CCC[C@@H]2COC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634996216 345187722 /nfs/dbraw/zinc/18/77/22/345187722.db2.gz DCUNHQDNCLWTMJ-QBHFIFKDSA-N 2 2 222.332 0.849 20 0 BCADLP C([N@H+]1CCC[C@@H]2COC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634996216 345187724 /nfs/dbraw/zinc/18/77/24/345187724.db2.gz DCUNHQDNCLWTMJ-QBHFIFKDSA-N 2 2 222.332 0.849 20 0 BCADLP C[C@@H](O)C[N@H+](CC12CC(C1)C[NH2+]2)C1CC1 ZINC000634996487 345188392 /nfs/dbraw/zinc/18/83/92/345188392.db2.gz LIZPOQCYRKIHQE-GRZMOONWSA-N 2 2 210.321 0.584 20 0 BCADLP C[C@@H](O)C[N@@H+](CC12CC(C1)C[NH2+]2)C1CC1 ZINC000634996487 345188393 /nfs/dbraw/zinc/18/83/93/345188393.db2.gz LIZPOQCYRKIHQE-GRZMOONWSA-N 2 2 210.321 0.584 20 0 BCADLP C[NH+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635068055 345236655 /nfs/dbraw/zinc/23/66/55/345236655.db2.gz FQYLYNFCWXSXOB-NXEZZACHSA-N 2 2 236.319 0.581 20 0 BCADLP C[NH+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635068055 345236658 /nfs/dbraw/zinc/23/66/58/345236658.db2.gz FQYLYNFCWXSXOB-NXEZZACHSA-N 2 2 236.319 0.581 20 0 BCADLP C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635078846 345242877 /nfs/dbraw/zinc/24/28/77/345242877.db2.gz VMMBKAWIVSIMJA-GHMZBOCLSA-N 2 2 248.330 0.677 20 0 BCADLP C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635078846 345242878 /nfs/dbraw/zinc/24/28/78/345242878.db2.gz VMMBKAWIVSIMJA-GHMZBOCLSA-N 2 2 248.330 0.677 20 0 BCADLP C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635078846 345242879 /nfs/dbraw/zinc/24/28/79/345242879.db2.gz VMMBKAWIVSIMJA-GHMZBOCLSA-N 2 2 248.330 0.677 20 0 BCADLP C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635078846 345242880 /nfs/dbraw/zinc/24/28/80/345242880.db2.gz VMMBKAWIVSIMJA-GHMZBOCLSA-N 2 2 248.330 0.677 20 0 BCADLP CC(C)[C@H](C[NH3+])C[NH2+]CC1([NH3+])CCOCC1 ZINC000634997136 345193923 /nfs/dbraw/zinc/19/39/23/345193923.db2.gz DRXRVQDJPFOLPG-LLVKDONJSA-N 3 2 229.368 0.315 20 0 BCADLP Cc1[nH]ncc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999556 345200625 /nfs/dbraw/zinc/20/06/25/345200625.db2.gz WCJVOCGKHDEBHF-WCBMZHEXSA-N 2 2 208.309 0.745 20 0 BCADLP Cc1[nH]ncc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999556 345200627 /nfs/dbraw/zinc/20/06/27/345200627.db2.gz WCJVOCGKHDEBHF-WCBMZHEXSA-N 2 2 208.309 0.745 20 0 BCADLP C[C@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C[NH3+] ZINC000634999783 345201348 /nfs/dbraw/zinc/20/13/48/345201348.db2.gz YWEHLAJHRIANGV-VHSXEESVSA-N 2 2 208.309 0.447 20 0 BCADLP C[C@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C[NH3+] ZINC000634999783 345201349 /nfs/dbraw/zinc/20/13/49/345201349.db2.gz YWEHLAJHRIANGV-VHSXEESVSA-N 2 2 208.309 0.447 20 0 BCADLP CCC[C@H](CCO)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000635003102 345205575 /nfs/dbraw/zinc/20/55/75/345205575.db2.gz FYYVAVJZWHSSMB-UPJWGTAASA-N 2 2 244.379 0.894 20 0 BCADLP O=C(C[C@@H]1CCC[NH2+]1)NCCc1[nH]cc[nH+]1 ZINC000158548822 345350574 /nfs/dbraw/zinc/35/05/74/345350574.db2.gz OLKUDUJEIJZXNE-VIFPVBQESA-N 2 2 222.292 0.211 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000133452419 345375758 /nfs/dbraw/zinc/37/57/58/345375758.db2.gz OXPGGBKBIKNVMQ-IJLUTSLNSA-N 2 2 229.368 0.245 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000133452419 345375762 /nfs/dbraw/zinc/37/57/62/345375762.db2.gz OXPGGBKBIKNVMQ-IJLUTSLNSA-N 2 2 229.368 0.245 20 0 BCADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(=O)N(C)C ZINC000381353824 345451749 /nfs/dbraw/zinc/45/17/49/345451749.db2.gz CLMOQOKUPDTURS-MXWKQRLJSA-N 2 2 227.352 0.535 20 0 BCADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)N(C)C ZINC000381353824 345451751 /nfs/dbraw/zinc/45/17/51/345451751.db2.gz CLMOQOKUPDTURS-MXWKQRLJSA-N 2 2 227.352 0.535 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635496021 345399236 /nfs/dbraw/zinc/39/92/36/345399236.db2.gz PMOAECPJICBDPG-SNVBAGLBSA-N 2 2 236.319 0.378 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635496021 345399238 /nfs/dbraw/zinc/39/92/38/345399238.db2.gz PMOAECPJICBDPG-SNVBAGLBSA-N 2 2 236.319 0.378 20 0 BCADLP C[C@H](C(=O)N(C)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC000635537521 345495993 /nfs/dbraw/zinc/49/59/93/345495993.db2.gz GBAMWQLWTNPIRV-MRVPVSSYSA-N 2 2 210.281 0.318 20 0 BCADLP C[NH2+]CC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000082276242 345500789 /nfs/dbraw/zinc/50/07/89/345500789.db2.gz REONZQLPBMTDPY-VIFPVBQESA-N 2 2 222.292 0.683 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C1(C[NH+](C)C)CC1 ZINC000635538426 345507239 /nfs/dbraw/zinc/50/72/39/345507239.db2.gz QXPBHTAMMWAVOB-UHFFFAOYSA-N 2 2 236.319 0.710 20 0 BCADLP COC[C@](C)(CCO)[NH2+]CC[NH+]1CCCCC1 ZINC000085903637 345535967 /nfs/dbraw/zinc/53/59/67/345535967.db2.gz NKYBGYCXBHSIQA-ZDUSSCGKSA-N 2 2 244.379 0.849 20 0 BCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107575737 345556474 /nfs/dbraw/zinc/55/64/74/345556474.db2.gz ZMTUBOHZHWSNKI-QWRGUYRKSA-N 2 2 239.363 0.442 20 0 BCADLP C[C@H](C(=O)NCCc1[nH]cc[nH+]1)[NH+](C)C ZINC000635545252 345561549 /nfs/dbraw/zinc/56/15/49/345561549.db2.gz QHWCVFSVVOHYPS-MRVPVSSYSA-N 2 2 210.281 0.019 20 0 BCADLP Cn1cc[nH+]c1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000089926575 345566622 /nfs/dbraw/zinc/56/66/22/345566622.db2.gz RNQCWLAVKKCMAR-UHFFFAOYSA-N 2 2 246.318 0.465 20 0 BCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093170176 345658172 /nfs/dbraw/zinc/65/81/72/345658172.db2.gz IBGHXCFTUIMWSU-LLVKDONJSA-N 2 2 225.336 0.102 20 0 BCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093170176 345658174 /nfs/dbraw/zinc/65/81/74/345658174.db2.gz IBGHXCFTUIMWSU-LLVKDONJSA-N 2 2 225.336 0.102 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000093344727 345654799 /nfs/dbraw/zinc/65/47/99/345654799.db2.gz KZSUKPWWNVUFOS-ZYHUDNBSSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000093344727 345654804 /nfs/dbraw/zinc/65/48/04/345654804.db2.gz KZSUKPWWNVUFOS-ZYHUDNBSSA-N 2 2 223.320 0.894 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@@H+]1CCOC[C@H]1CCCO1 ZINC000563153279 323096009 /nfs/dbraw/zinc/09/60/09/323096009.db2.gz HWNCIXWGGNXQQO-CHWSQXEVSA-N 2 2 242.363 0.995 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@H+]1CCOC[C@H]1CCCO1 ZINC000563153279 323096010 /nfs/dbraw/zinc/09/60/10/323096010.db2.gz HWNCIXWGGNXQQO-CHWSQXEVSA-N 2 2 242.363 0.995 20 0 BCADLP C[C@@H](NC(=O)[C@H]([NH3+])C1CCC1)c1[nH+]ccn1C ZINC000662935708 537935468 /nfs/dbraw/zinc/93/54/68/537935468.db2.gz YAQSGQVGRHQWNK-PSASIEDQSA-N 2 2 236.319 0.725 20 0 BCADLP C[C@H](C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C)[NH+](C)C ZINC000635762776 346052417 /nfs/dbraw/zinc/05/24/17/346052417.db2.gz QPMSBYNXPYIDIV-HBNTYKKESA-N 2 2 227.352 0.488 20 0 BCADLP C[C@H](C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C)[NH+](C)C ZINC000635762776 346052418 /nfs/dbraw/zinc/05/24/18/346052418.db2.gz QPMSBYNXPYIDIV-HBNTYKKESA-N 2 2 227.352 0.488 20 0 BCADLP C[N@@H+]1CC[C@@H](CC(=O)N2CCc3[nH]c[nH+]c3C2)C1 ZINC000635945055 346118927 /nfs/dbraw/zinc/11/89/27/346118927.db2.gz YZZHPTYDNDUDHN-JTQLQIEISA-N 2 2 248.330 0.636 20 0 BCADLP C[N@H+]1CC[C@@H](CC(=O)N2CCc3[nH]c[nH+]c3C2)C1 ZINC000635945055 346118928 /nfs/dbraw/zinc/11/89/28/346118928.db2.gz YZZHPTYDNDUDHN-JTQLQIEISA-N 2 2 248.330 0.636 20 0 BCADLP C[N@@H+]1CC[C@@H](CC(=O)N2CCc3[nH+]c[nH]c3C2)C1 ZINC000635945055 346118931 /nfs/dbraw/zinc/11/89/31/346118931.db2.gz YZZHPTYDNDUDHN-JTQLQIEISA-N 2 2 248.330 0.636 20 0 BCADLP C[N@H+]1CC[C@@H](CC(=O)N2CCc3[nH+]c[nH]c3C2)C1 ZINC000635945055 346118933 /nfs/dbraw/zinc/11/89/33/346118933.db2.gz YZZHPTYDNDUDHN-JTQLQIEISA-N 2 2 248.330 0.636 20 0 BCADLP C[C@@H](C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)[NH+](C)C ZINC000635994599 346144278 /nfs/dbraw/zinc/14/42/78/346144278.db2.gz HIHLHBHLFKOOKV-KXUCPTDWSA-N 2 2 236.319 0.955 20 0 BCADLP Cc1ncc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)o1 ZINC000628253476 346230047 /nfs/dbraw/zinc/23/00/47/346230047.db2.gz JOMYUMKZLSZQBT-PHIMTYICSA-N 2 2 221.304 0.976 20 0 BCADLP Cc1ncc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)o1 ZINC000628253476 346230050 /nfs/dbraw/zinc/23/00/50/346230050.db2.gz JOMYUMKZLSZQBT-PHIMTYICSA-N 2 2 221.304 0.976 20 0 BCADLP Cc1ncc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)o1 ZINC000628253476 346230054 /nfs/dbraw/zinc/23/00/54/346230054.db2.gz JOMYUMKZLSZQBT-PHIMTYICSA-N 2 2 221.304 0.976 20 0 BCADLP Cc1ncc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)o1 ZINC000628253476 346230056 /nfs/dbraw/zinc/23/00/56/346230056.db2.gz JOMYUMKZLSZQBT-PHIMTYICSA-N 2 2 221.304 0.976 20 0 BCADLP CCOC[C@H](O)C[NH2+]CCCCn1cc[nH+]c1 ZINC000069278374 349944001 /nfs/dbraw/zinc/94/40/01/349944001.db2.gz CXRDJXLVSIRHNT-GFCCVEGCSA-N 2 2 241.335 0.650 20 0 BCADLP Cc1c[nH]c(CN2CC[NH+]3CCC2CC3)[nH+]1 ZINC000628278907 346287829 /nfs/dbraw/zinc/28/78/29/346287829.db2.gz MBEUHXNEYWKPKK-UHFFFAOYSA-N 2 2 220.320 0.998 20 0 BCADLP Cc1cc(NC(=O)NCC2CC[NH2+]CC2)cc[nH+]1 ZINC000574904693 346407761 /nfs/dbraw/zinc/40/77/61/346407761.db2.gz CEYJXQURMBFIHH-UHFFFAOYSA-N 2 2 248.330 0.933 20 0 BCADLP Cn1c[nH+]cc1CC[NH+]1CCC(C[NH3+])CC1 ZINC000641796000 362736669 /nfs/dbraw/zinc/73/66/69/362736669.db2.gz CNUMFECZTQPSNV-UHFFFAOYSA-N 3 2 222.336 0.633 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@@](C)(O)C2CC2)n1C ZINC000563441076 323124988 /nfs/dbraw/zinc/12/49/88/323124988.db2.gz QEJFVHFLFPSEQB-GFCCVEGCSA-N 2 2 223.320 0.979 20 0 BCADLP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)on1 ZINC000641797520 362742925 /nfs/dbraw/zinc/74/29/25/362742925.db2.gz DGMMKOUKNBDODP-GFCCVEGCSA-N 2 2 237.303 0.869 20 0 BCADLP COc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)on1 ZINC000641797520 362742930 /nfs/dbraw/zinc/74/29/30/362742930.db2.gz DGMMKOUKNBDODP-GFCCVEGCSA-N 2 2 237.303 0.869 20 0 BCADLP C[NH2+]C1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000641797199 362743546 /nfs/dbraw/zinc/74/35/46/362743546.db2.gz XSQFMCQPCLIKAV-UHFFFAOYSA-N 3 2 222.336 0.646 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000575056435 346456361 /nfs/dbraw/zinc/45/63/61/346456361.db2.gz BTYKKZMWEYPRQN-JGVFFNPUSA-N 2 2 221.260 0.146 20 0 BCADLP C[NH2+]CCC[N@H+](C)CCc1c[nH+]cn1C ZINC000641798717 362746570 /nfs/dbraw/zinc/74/65/70/362746570.db2.gz HJOSYZUYDYAACX-UHFFFAOYSA-N 3 2 210.325 0.504 20 0 BCADLP C[NH2+]CCC[N@@H+](C)CCc1c[nH+]cn1C ZINC000641798717 362746577 /nfs/dbraw/zinc/74/65/77/362746577.db2.gz HJOSYZUYDYAACX-UHFFFAOYSA-N 3 2 210.325 0.504 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000641799543 362748117 /nfs/dbraw/zinc/74/81/17/362748117.db2.gz WYGGJQQJCYGFDX-MNOVXSKESA-N 3 2 222.336 0.632 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000641799543 362748124 /nfs/dbraw/zinc/74/81/24/362748124.db2.gz WYGGJQQJCYGFDX-MNOVXSKESA-N 3 2 222.336 0.632 20 0 BCADLP Cn1c[nH+]cc1CC[NH+]1CCC([NH3+])CC1 ZINC000641796626 362739826 /nfs/dbraw/zinc/73/98/26/362739826.db2.gz DWTAIIIZQYNBMQ-UHFFFAOYSA-N 3 2 208.309 0.386 20 0 BCADLP COc1cc(C[NH+]2CCC(C)([NH3+])CC2)on1 ZINC000641799856 362750152 /nfs/dbraw/zinc/75/01/52/362750152.db2.gz STJMQULZOPROBP-UHFFFAOYSA-N 2 2 225.292 0.996 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cn2cccnc2n1 ZINC000641802592 362753463 /nfs/dbraw/zinc/75/34/63/362753463.db2.gz NIACSLPIERPQEK-GHMZBOCLSA-N 2 2 245.330 0.945 20 0 BCADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cn2cccnc2n1 ZINC000641802594 362753481 /nfs/dbraw/zinc/75/34/81/362753481.db2.gz NIACSLPIERPQEK-QWRGUYRKSA-N 2 2 245.330 0.945 20 0 BCADLP Cn1cc(C[NH2+]C2CC([NH+](C)C)C2)cn1 ZINC000580093706 346520401 /nfs/dbraw/zinc/52/04/01/346520401.db2.gz HRBLRGFBJOIJGJ-UHFFFAOYSA-N 2 2 208.309 0.602 20 0 BCADLP COc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)on1 ZINC000641802147 362757714 /nfs/dbraw/zinc/75/77/14/362757714.db2.gz YDVXAGIGINCSNE-RKDXNWHRSA-N 2 2 225.292 0.899 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)C(C)(C)C1 ZINC000387825326 347100619 /nfs/dbraw/zinc/10/06/19/347100619.db2.gz XECBUIHELZQWFB-GHMZBOCLSA-N 2 2 230.352 0.002 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)C(C)(C)C1 ZINC000387825326 347100621 /nfs/dbraw/zinc/10/06/21/347100621.db2.gz XECBUIHELZQWFB-GHMZBOCLSA-N 2 2 230.352 0.002 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000387825326 347100622 /nfs/dbraw/zinc/10/06/22/347100622.db2.gz XECBUIHELZQWFB-GHMZBOCLSA-N 2 2 230.352 0.002 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000387825326 347100624 /nfs/dbraw/zinc/10/06/24/347100624.db2.gz XECBUIHELZQWFB-GHMZBOCLSA-N 2 2 230.352 0.002 20 0 BCADLP Cc1cc(NC(=O)NC[C@H]2CCC[NH2+]2)cc[nH+]1 ZINC000580169373 346596555 /nfs/dbraw/zinc/59/65/55/346596555.db2.gz UAARGHWEDWGOBS-LLVKDONJSA-N 2 2 234.303 0.685 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000380224750 346608801 /nfs/dbraw/zinc/60/88/01/346608801.db2.gz NTNDKUDZACBCAT-SNVBAGLBSA-N 2 2 236.319 0.867 20 0 BCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)COC ZINC000187811954 346617500 /nfs/dbraw/zinc/61/75/00/346617500.db2.gz DBMMPAPPCBVWIP-OLZOCXBDSA-N 2 2 244.379 0.969 20 0 BCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)COC ZINC000187811954 346617502 /nfs/dbraw/zinc/61/75/02/346617502.db2.gz DBMMPAPPCBVWIP-OLZOCXBDSA-N 2 2 244.379 0.969 20 0 BCADLP CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](CC)CC1 ZINC000037480499 346696999 /nfs/dbraw/zinc/69/69/99/346696999.db2.gz VIOJRDZXAJMQBH-LLVKDONJSA-N 2 2 227.352 0.668 20 0 BCADLP C[NH+](C)CC(=O)NCCCCn1cc[nH+]c1 ZINC000589689888 346730062 /nfs/dbraw/zinc/73/00/62/346730062.db2.gz UCSFZZZBIQEJFY-UHFFFAOYSA-N 2 2 224.308 0.341 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CCCC1 ZINC000168954213 346749272 /nfs/dbraw/zinc/74/92/72/346749272.db2.gz BQZQYANQFFVCAF-QWRGUYRKSA-N 2 2 225.336 0.420 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CCCC1 ZINC000168954213 346749275 /nfs/dbraw/zinc/74/92/75/346749275.db2.gz BQZQYANQFFVCAF-QWRGUYRKSA-N 2 2 225.336 0.420 20 0 BCADLP C[C@]1(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)CC[NH2+]C1 ZINC000622003575 370654203 /nfs/dbraw/zinc/65/42/03/370654203.db2.gz BXUUITCPGKAGGY-AGIUHOORSA-N 3 2 223.364 0.799 20 0 BCADLP C[C@]1(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)CC[NH2+]C1 ZINC000622003575 370654205 /nfs/dbraw/zinc/65/42/05/370654205.db2.gz BXUUITCPGKAGGY-AGIUHOORSA-N 3 2 223.364 0.799 20 0 BCADLP Cn1cc[nH+]c1CN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622005162 370657217 /nfs/dbraw/zinc/65/72/17/370657217.db2.gz ZNMGCOLDMPEWGZ-PWSUYJOCSA-N 2 2 220.320 0.733 20 0 BCADLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)on1 ZINC000641821626 362772552 /nfs/dbraw/zinc/77/25/52/362772552.db2.gz MTZGEYZLSQRKCT-RKDXNWHRSA-N 2 2 225.292 0.995 20 0 BCADLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)on1 ZINC000641821626 362772555 /nfs/dbraw/zinc/77/25/55/362772555.db2.gz MTZGEYZLSQRKCT-RKDXNWHRSA-N 2 2 225.292 0.995 20 0 BCADLP Cn1cc[nH+]c1CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622005161 370657551 /nfs/dbraw/zinc/65/75/51/370657551.db2.gz ZNMGCOLDMPEWGZ-JQWIXIFHSA-N 2 2 220.320 0.733 20 0 BCADLP Cc1c[nH]c(CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)[nH+]1 ZINC000628299080 347409109 /nfs/dbraw/zinc/40/91/09/347409109.db2.gz BQLTYWJEEJPZDS-MNOVXSKESA-N 2 2 220.320 0.854 20 0 BCADLP Cc1c[nH]c(CN2C[C@H]3CC[N@H+](C)[C@H]3C2)[nH+]1 ZINC000628299080 347409110 /nfs/dbraw/zinc/40/91/10/347409110.db2.gz BQLTYWJEEJPZDS-MNOVXSKESA-N 2 2 220.320 0.854 20 0 BCADLP CC(C)N(C)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000355333463 187374966 /nfs/dbraw/zinc/37/49/66/187374966.db2.gz MKTWHKXALZGASG-GFCCVEGCSA-N 2 2 241.379 0.737 20 0 BCADLP CC(C)N(C)C(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000355333463 187374968 /nfs/dbraw/zinc/37/49/68/187374968.db2.gz MKTWHKXALZGASG-GFCCVEGCSA-N 2 2 241.379 0.737 20 0 BCADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCNC(=O)CC1 ZINC000396665245 362827858 /nfs/dbraw/zinc/82/78/58/362827858.db2.gz VRGUTMYITIZRLX-MNOVXSKESA-N 2 2 225.336 0.339 20 0 BCADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCNC(=O)CC1 ZINC000396665245 362827861 /nfs/dbraw/zinc/82/78/61/362827861.db2.gz VRGUTMYITIZRLX-MNOVXSKESA-N 2 2 225.336 0.339 20 0 BCADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCNC(=O)CC1 ZINC000396665248 362827913 /nfs/dbraw/zinc/82/79/13/362827913.db2.gz VRGUTMYITIZRLX-QWRGUYRKSA-N 2 2 225.336 0.339 20 0 BCADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCNC(=O)CC1 ZINC000396665248 362827914 /nfs/dbraw/zinc/82/79/14/362827914.db2.gz VRGUTMYITIZRLX-QWRGUYRKSA-N 2 2 225.336 0.339 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000616925413 347456942 /nfs/dbraw/zinc/45/69/42/347456942.db2.gz GZLSOJKAYHEELK-SECBINFHSA-N 2 2 222.292 0.320 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000616925413 347456943 /nfs/dbraw/zinc/45/69/43/347456943.db2.gz GZLSOJKAYHEELK-SECBINFHSA-N 2 2 222.292 0.320 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000616925413 347456945 /nfs/dbraw/zinc/45/69/45/347456945.db2.gz GZLSOJKAYHEELK-SECBINFHSA-N 2 2 222.292 0.320 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000616925413 347456946 /nfs/dbraw/zinc/45/69/46/347456946.db2.gz GZLSOJKAYHEELK-SECBINFHSA-N 2 2 222.292 0.320 20 0 BCADLP C[NH+](C)CC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590725064 347496009 /nfs/dbraw/zinc/49/60/09/347496009.db2.gz BGJZPNPHARXIAG-LLVKDONJSA-N 2 2 236.319 0.608 20 0 BCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493124467 347567319 /nfs/dbraw/zinc/56/73/19/347567319.db2.gz WJICBLOUDYMEBQ-XKFHPXPTSA-N 2 2 248.330 0.974 20 0 BCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493124467 347567322 /nfs/dbraw/zinc/56/73/22/347567322.db2.gz WJICBLOUDYMEBQ-XKFHPXPTSA-N 2 2 248.330 0.974 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)NCCC[NH+](C)C ZINC000590845175 347572931 /nfs/dbraw/zinc/57/29/31/347572931.db2.gz BURHLCHDRHFAHY-UHFFFAOYSA-N 2 2 239.323 0.171 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083070 347615931 /nfs/dbraw/zinc/61/59/31/347615931.db2.gz NQCIDJZWDBQTNR-UWVGGRQHSA-N 2 2 222.292 0.394 20 0 BCADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083070 347615932 /nfs/dbraw/zinc/61/59/32/347615932.db2.gz NQCIDJZWDBQTNR-UWVGGRQHSA-N 2 2 222.292 0.394 20 0 BCADLP NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083115 347616142 /nfs/dbraw/zinc/61/61/42/347616142.db2.gz OPDOEVPQOAMMES-VIFPVBQESA-N 2 2 208.265 0.005 20 0 BCADLP NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083115 347616147 /nfs/dbraw/zinc/61/61/47/347616147.db2.gz OPDOEVPQOAMMES-VIFPVBQESA-N 2 2 208.265 0.005 20 0 BCADLP Cc1ccc(CCC[N@H+](CC[NH3+])CCO)cn1 ZINC000414913731 323151960 /nfs/dbraw/zinc/15/19/60/323151960.db2.gz MYAKFJUVSMIQJZ-UHFFFAOYSA-N 2 2 237.347 0.576 20 0 BCADLP Cc1ccc(CCC[N@@H+](CC[NH3+])CCO)cn1 ZINC000414913731 323151961 /nfs/dbraw/zinc/15/19/61/323151961.db2.gz MYAKFJUVSMIQJZ-UHFFFAOYSA-N 2 2 237.347 0.576 20 0 BCADLP C[NH+](C)CCCNC(=O)CCCn1cc[nH+]c1 ZINC000591639707 347681600 /nfs/dbraw/zinc/68/16/00/347681600.db2.gz RTNVLRKGNXQAGR-UHFFFAOYSA-N 2 2 238.335 0.731 20 0 BCADLP Cn1nnnc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591869124 347704365 /nfs/dbraw/zinc/70/43/65/347704365.db2.gz LNKRUECORDSBQL-JTQLQIEISA-N 2 2 247.306 0.244 20 0 BCADLP Cn1nnnc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591869124 347704369 /nfs/dbraw/zinc/70/43/69/347704369.db2.gz LNKRUECORDSBQL-JTQLQIEISA-N 2 2 247.306 0.244 20 0 BCADLP CSCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000591567800 347670987 /nfs/dbraw/zinc/67/09/87/347670987.db2.gz KHMHUHNLHXAPRS-QWRGUYRKSA-N 2 2 230.377 0.706 20 0 BCADLP COc1ccnc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000592806928 347818463 /nfs/dbraw/zinc/81/84/63/347818463.db2.gz XMYVKKRKRZYTPL-PHIMTYICSA-N 2 2 233.315 0.741 20 0 BCADLP COc1ccnc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000592806928 347818464 /nfs/dbraw/zinc/81/84/64/347818464.db2.gz XMYVKKRKRZYTPL-PHIMTYICSA-N 2 2 233.315 0.741 20 0 BCADLP COc1cc[nH+]c(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000592806928 347818466 /nfs/dbraw/zinc/81/84/66/347818466.db2.gz XMYVKKRKRZYTPL-PHIMTYICSA-N 2 2 233.315 0.741 20 0 BCADLP CCOC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000592493599 347787907 /nfs/dbraw/zinc/78/79/07/347787907.db2.gz YOMJKURUYXBABF-GHMZBOCLSA-N 2 2 226.320 0.623 20 0 BCADLP CCOC(=O)[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000592493599 347787909 /nfs/dbraw/zinc/78/79/09/347787909.db2.gz YOMJKURUYXBABF-GHMZBOCLSA-N 2 2 226.320 0.623 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N[C@@H](C)CC[NH3+] ZINC000493400134 347791401 /nfs/dbraw/zinc/79/14/01/347791401.db2.gz IVXVEFCUCUTRAS-LWTINBJPSA-N 2 2 236.319 0.770 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593098237 347855002 /nfs/dbraw/zinc/85/50/02/347855002.db2.gz AGJKJTVRFIWVDY-MMPTUQATSA-N 2 2 239.344 0.168 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593098237 347855003 /nfs/dbraw/zinc/85/50/03/347855003.db2.gz AGJKJTVRFIWVDY-MMPTUQATSA-N 2 2 239.344 0.168 20 0 BCADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000319556689 259398429 /nfs/dbraw/zinc/39/84/29/259398429.db2.gz PIIFZBSIJHNQMK-HBNTYKKESA-N 2 2 200.326 0.999 20 0 BCADLP Nc1[nH+]cnc(N2CCC[C@@H]2C[NH3+])c1Cl ZINC000577370568 365936570 /nfs/dbraw/zinc/93/65/70/365936570.db2.gz WYDABNWGVMHNIM-ZCFIWIBFSA-N 2 2 227.699 0.640 20 0 BCADLP CSCCCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593908555 347969136 /nfs/dbraw/zinc/96/91/36/347969136.db2.gz AFWJJHRLBYOFAR-JTQLQIEISA-N 2 2 247.408 0.525 20 0 BCADLP C(C[NH+]1CCCOCC1)C[N@@H+]1CCCOCC1 ZINC000369594445 187385885 /nfs/dbraw/zinc/38/58/85/187385885.db2.gz YYKXTHBLBLAZRG-UHFFFAOYSA-N 2 2 242.363 0.821 20 0 BCADLP C(C[NH+]1CCCOCC1)C[N@H+]1CCCOCC1 ZINC000369594445 187385887 /nfs/dbraw/zinc/38/58/87/187385887.db2.gz YYKXTHBLBLAZRG-UHFFFAOYSA-N 2 2 242.363 0.821 20 0 BCADLP Cc1cccn2cc(CNC(=O)[C@@H](C)C[NH3+])[nH+]c12 ZINC000285720054 179356791 /nfs/dbraw/zinc/35/67/91/179356791.db2.gz FHNUCMWCDXLADI-JTQLQIEISA-N 2 2 246.314 0.854 20 0 BCADLP COC(=O)C12CC(C1)C[N@@H+]2CCCn1cc[nH+]c1 ZINC000595684164 348312508 /nfs/dbraw/zinc/31/25/08/348312508.db2.gz YILORZUILUOPPS-UHFFFAOYSA-N 2 2 249.314 0.911 20 0 BCADLP COC(=O)C12CC(C1)C[N@H+]2CCCn1cc[nH+]c1 ZINC000595684164 348312511 /nfs/dbraw/zinc/31/25/11/348312511.db2.gz YILORZUILUOPPS-UHFFFAOYSA-N 2 2 249.314 0.911 20 0 BCADLP C[C@H]1CSCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000251688291 362898012 /nfs/dbraw/zinc/89/80/12/362898012.db2.gz IEFOVABKVLLNMO-VHSXEESVSA-N 2 2 216.350 0.412 20 0 BCADLP C[C@H]1CSCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000251688291 362898015 /nfs/dbraw/zinc/89/80/15/362898015.db2.gz IEFOVABKVLLNMO-VHSXEESVSA-N 2 2 216.350 0.412 20 0 BCADLP COC(=O)[C@@H]1CC[N@H+](C[C@@H](C)[NH3+])C[C@@H]1C ZINC000595905894 348396404 /nfs/dbraw/zinc/39/64/04/348396404.db2.gz XDQURILHDNJMHW-IVZWLZJFSA-N 2 2 214.309 0.465 20 0 BCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@@H](C)[NH3+])C[C@@H]1C ZINC000595905894 348396407 /nfs/dbraw/zinc/39/64/07/348396407.db2.gz XDQURILHDNJMHW-IVZWLZJFSA-N 2 2 214.309 0.465 20 0 BCADLP CC(C)NC(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129781036 490169460 /nfs/dbraw/zinc/16/94/60/490169460.db2.gz LJASLXNAIAERIA-GHMZBOCLSA-N 2 2 227.352 0.583 20 0 BCADLP CC(C)NC(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129781036 490169464 /nfs/dbraw/zinc/16/94/64/490169464.db2.gz LJASLXNAIAERIA-GHMZBOCLSA-N 2 2 227.352 0.583 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)CSC)C1 ZINC000596065495 348436069 /nfs/dbraw/zinc/43/60/69/348436069.db2.gz JFOZPERELFCPLU-MNOVXSKESA-N 2 2 232.393 0.784 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)CSC)C1 ZINC000596065495 348436072 /nfs/dbraw/zinc/43/60/72/348436072.db2.gz JFOZPERELFCPLU-MNOVXSKESA-N 2 2 232.393 0.784 20 0 BCADLP COC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536066837 323195645 /nfs/dbraw/zinc/19/56/45/323195645.db2.gz JXFWSDYMAYVZDU-VIFPVBQESA-N 2 2 223.276 0.382 20 0 BCADLP COC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536066837 323195646 /nfs/dbraw/zinc/19/56/46/323195646.db2.gz JXFWSDYMAYVZDU-VIFPVBQESA-N 2 2 223.276 0.382 20 0 BCADLP COC(=O)CCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598684758 349015738 /nfs/dbraw/zinc/01/57/38/349015738.db2.gz YLORVQBGPOEPOJ-JQWIXIFHSA-N 2 2 226.320 0.753 20 0 BCADLP COC(=O)CCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598684758 349015743 /nfs/dbraw/zinc/01/57/43/349015743.db2.gz YLORVQBGPOEPOJ-JQWIXIFHSA-N 2 2 226.320 0.753 20 0 BCADLP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000598993796 349072776 /nfs/dbraw/zinc/07/27/76/349072776.db2.gz PMRGTNSACZUVBQ-WISYIIOYSA-N 2 2 240.347 0.868 20 0 BCADLP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000598993796 349072779 /nfs/dbraw/zinc/07/27/79/349072779.db2.gz PMRGTNSACZUVBQ-WISYIIOYSA-N 2 2 240.347 0.868 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnccn1 ZINC000054766396 349078918 /nfs/dbraw/zinc/07/89/18/349078918.db2.gz PWHPNBZYRBMVIB-SNVBAGLBSA-N 2 2 217.276 0.851 20 0 BCADLP CCOCC[N@H+](CC)C[C@@H]1C[NH2+]CCO1 ZINC000070621448 490227237 /nfs/dbraw/zinc/22/72/37/490227237.db2.gz LHZIJPUOSYIWIS-NSHDSACASA-N 2 2 216.325 0.333 20 0 BCADLP CCOCC[N@@H+](CC)C[C@@H]1C[NH2+]CCO1 ZINC000070621448 490227243 /nfs/dbraw/zinc/22/72/43/490227243.db2.gz LHZIJPUOSYIWIS-NSHDSACASA-N 2 2 216.325 0.333 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000402185025 350002572 /nfs/dbraw/zinc/00/25/72/350002572.db2.gz BYBJDHRMJBLMKU-KXNHARMFSA-N 2 2 228.336 0.520 20 0 BCADLP C[N@H+](C[C@H]1CCCOC1)C[C@@H]1C[NH2+]CCO1 ZINC000070650515 490230613 /nfs/dbraw/zinc/23/06/13/490230613.db2.gz QKFYWLJQYRMAOW-NEPJUHHUSA-N 2 2 228.336 0.333 20 0 BCADLP C[N@@H+](C[C@H]1CCCOC1)C[C@@H]1C[NH2+]CCO1 ZINC000070650515 490230619 /nfs/dbraw/zinc/23/06/19/490230619.db2.gz QKFYWLJQYRMAOW-NEPJUHHUSA-N 2 2 228.336 0.333 20 0 BCADLP C[C@@H]1C[N@H+](Cc2ccn(C)n2)CC[C@H]1[NH3+] ZINC000251625549 349189571 /nfs/dbraw/zinc/18/95/71/349189571.db2.gz FDSRKQXIDPMKRB-MWLCHTKSSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@H]1[NH3+] ZINC000251625549 349189574 /nfs/dbraw/zinc/18/95/74/349189574.db2.gz FDSRKQXIDPMKRB-MWLCHTKSSA-N 2 2 208.309 0.589 20 0 BCADLP CCn1ncnc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250449801 349170763 /nfs/dbraw/zinc/17/07/63/349170763.db2.gz LBCXNUZYDCQWRS-WDEREUQCSA-N 2 2 237.351 0.857 20 0 BCADLP CCn1ncnc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250449801 349170768 /nfs/dbraw/zinc/17/07/68/349170768.db2.gz LBCXNUZYDCQWRS-WDEREUQCSA-N 2 2 237.351 0.857 20 0 BCADLP CCn1ncnc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252762735 349212896 /nfs/dbraw/zinc/21/28/96/349212896.db2.gz DUPVUCFAGMJNIE-VHSXEESVSA-N 2 2 223.324 0.467 20 0 BCADLP CCn1ncnc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252762735 349212898 /nfs/dbraw/zinc/21/28/98/349212898.db2.gz DUPVUCFAGMJNIE-VHSXEESVSA-N 2 2 223.324 0.467 20 0 BCADLP OCCC1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000309059781 323221197 /nfs/dbraw/zinc/22/11/97/323221197.db2.gz PQUHYFQOYNEBNW-UHFFFAOYSA-N 2 2 223.320 0.978 20 0 BCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000603917427 350053122 /nfs/dbraw/zinc/05/31/22/350053122.db2.gz XEAUJQZIAOOARR-SNVBAGLBSA-N 2 2 234.303 0.218 20 0 BCADLP C[N@H+]1CC[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000603917427 350053124 /nfs/dbraw/zinc/05/31/24/350053124.db2.gz XEAUJQZIAOOARR-SNVBAGLBSA-N 2 2 234.303 0.218 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000133219130 191039285 /nfs/dbraw/zinc/03/92/85/191039285.db2.gz ULHLTFJSWGJPCO-NEPJUHHUSA-N 2 2 230.352 0.579 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000133219130 191039286 /nfs/dbraw/zinc/03/92/86/191039286.db2.gz ULHLTFJSWGJPCO-NEPJUHHUSA-N 2 2 230.352 0.579 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC000532501064 323271402 /nfs/dbraw/zinc/27/14/02/323271402.db2.gz YMNVZAUTENBENZ-JHJVBQTASA-N 2 2 242.363 0.722 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC000532501064 323271405 /nfs/dbraw/zinc/27/14/05/323271405.db2.gz YMNVZAUTENBENZ-JHJVBQTASA-N 2 2 242.363 0.722 20 0 BCADLP Cc1[nH+]c2ccccc2n1CC(=O)NCC[NH3+] ZINC000040605674 180103411 /nfs/dbraw/zinc/10/34/11/180103411.db2.gz HGOSIOOJKALNAS-UHFFFAOYSA-N 2 2 232.287 0.420 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000335661456 180120453 /nfs/dbraw/zinc/12/04/53/180120453.db2.gz DXJXCEWYRRJPSK-SCZZXKLOSA-N 2 2 236.319 0.722 20 0 BCADLP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261558875 535115935 /nfs/dbraw/zinc/11/59/35/535115935.db2.gz SVJFAOCALNCERY-WCQYABFASA-N 2 2 239.363 0.587 20 0 BCADLP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261558875 535115938 /nfs/dbraw/zinc/11/59/38/535115938.db2.gz SVJFAOCALNCERY-WCQYABFASA-N 2 2 239.363 0.587 20 0 BCADLP CCSCC[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000309238944 350214617 /nfs/dbraw/zinc/21/46/17/350214617.db2.gz WAQVBYWNDJCXJJ-UHFFFAOYSA-N 2 2 245.392 0.103 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nnnn1C ZINC000336709577 180237192 /nfs/dbraw/zinc/23/71/92/180237192.db2.gz MCSSSPNKBSDLCV-UHFFFAOYSA-N 2 2 249.322 0.237 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nnnn1C ZINC000336709577 180237194 /nfs/dbraw/zinc/23/71/94/180237194.db2.gz MCSSSPNKBSDLCV-UHFFFAOYSA-N 2 2 249.322 0.237 20 0 BCADLP Cc1[nH+]ccn1CCC[NH2+][C@]1(C)CCOC1=O ZINC000289570595 180247403 /nfs/dbraw/zinc/24/74/03/180247403.db2.gz OJAORGYEBPUQLT-GFCCVEGCSA-N 2 2 237.303 0.877 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCCOCC1 ZINC000336551537 180252198 /nfs/dbraw/zinc/25/21/98/180252198.db2.gz QCHOGXJUNKKLDS-UHFFFAOYSA-N 2 2 209.293 0.914 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCCOCC1 ZINC000336551537 180252199 /nfs/dbraw/zinc/25/21/99/180252199.db2.gz QCHOGXJUNKKLDS-UHFFFAOYSA-N 2 2 209.293 0.914 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000270848750 180253117 /nfs/dbraw/zinc/25/31/17/180253117.db2.gz PEXHYSWCPHZALT-LLVKDONJSA-N 2 2 236.319 0.531 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1C(N)=O ZINC000270848750 180253118 /nfs/dbraw/zinc/25/31/18/180253118.db2.gz PEXHYSWCPHZALT-LLVKDONJSA-N 2 2 236.319 0.531 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000125417494 180254468 /nfs/dbraw/zinc/25/44/68/180254468.db2.gz NEJFDSZAHWRNLX-XQQFMLRXSA-N 2 2 235.331 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000125417494 180254470 /nfs/dbraw/zinc/25/44/70/180254470.db2.gz NEJFDSZAHWRNLX-XQQFMLRXSA-N 2 2 235.331 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000227196192 180256706 /nfs/dbraw/zinc/25/67/06/180256706.db2.gz MUBKAZHWBQKZDY-PWSUYJOCSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C)[C@@H]1CO ZINC000227196192 180256707 /nfs/dbraw/zinc/25/67/07/180256707.db2.gz MUBKAZHWBQKZDY-PWSUYJOCSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]([NH3+])C1 ZINC000309526106 180241795 /nfs/dbraw/zinc/24/17/95/180241795.db2.gz BXJNPJMBSNKNGI-NSHDSACASA-N 3 2 208.309 0.615 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]([NH3+])C1 ZINC000309526106 180241798 /nfs/dbraw/zinc/24/17/98/180241798.db2.gz BXJNPJMBSNKNGI-NSHDSACASA-N 3 2 208.309 0.615 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCCC1 ZINC000309364195 350356765 /nfs/dbraw/zinc/35/67/65/350356765.db2.gz DLFHKBSLGUPHEM-LBPRGKRZSA-N 2 2 230.352 0.411 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCCC1 ZINC000309364195 350356767 /nfs/dbraw/zinc/35/67/67/350356767.db2.gz DLFHKBSLGUPHEM-LBPRGKRZSA-N 2 2 230.352 0.411 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000126249486 490486691 /nfs/dbraw/zinc/48/66/91/490486691.db2.gz NCZXKVWWCFZZDW-UTUOFQBUSA-N 2 2 210.321 0.707 20 0 BCADLP Cc1nn(C)cc1C[NH+]1CCC([NH3+])CC1 ZINC000128239452 180373571 /nfs/dbraw/zinc/37/35/71/180373571.db2.gz OWICYZNIQKXZFS-UHFFFAOYSA-N 2 2 208.309 0.652 20 0 BCADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1nccn1C ZINC000070007986 350492276 /nfs/dbraw/zinc/49/22/76/350492276.db2.gz XRSMPQQYTYUXRQ-SNVBAGLBSA-N 2 2 219.292 0.967 20 0 BCADLP CC[C@@H](O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000338970940 350724161 /nfs/dbraw/zinc/72/41/61/350724161.db2.gz CQOLPMBGAHPUMJ-GFCCVEGCSA-N 2 2 230.352 0.146 20 0 BCADLP CC[C@@H](O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000338970940 350724165 /nfs/dbraw/zinc/72/41/65/350724165.db2.gz CQOLPMBGAHPUMJ-GFCCVEGCSA-N 2 2 230.352 0.146 20 0 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CCc1c[nH]c(CC(=O)N[C@H](C)C[C@H](C)[NH3+])[nH+]1 ZINC000638370444 352181871 /nfs/dbraw/zinc/18/18/71/352181871.db2.gz YBHORJMGDURPOC-DTWKUNHWSA-N 2 2 238.335 0.757 20 0 BCADLP [NH3+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC000638410246 352217480 /nfs/dbraw/zinc/21/74/80/352217480.db2.gz XZLWHCKFNRELDU-NXEZZACHSA-N 2 2 248.330 0.901 20 0 BCADLP [NH3+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC000638410246 352217483 /nfs/dbraw/zinc/21/74/83/352217483.db2.gz XZLWHCKFNRELDU-NXEZZACHSA-N 2 2 248.330 0.901 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)C[C@H](C)[NH3+] ZINC000638425437 352233318 /nfs/dbraw/zinc/23/33/18/352233318.db2.gz GGPOCCCQTFUZTE-DTWKUNHWSA-N 2 2 224.308 0.818 20 0 BCADLP CO[C@H](C[NH2+]C[C@@H]1CCC[N@@H+]1C)[C@H]1CCOC1 ZINC000638442706 352251922 /nfs/dbraw/zinc/25/19/22/352251922.db2.gz BFQFNEFJECLFNT-RWMBFGLXSA-N 2 2 242.363 0.722 20 0 BCADLP CO[C@H](C[NH2+]C[C@@H]1CCC[N@H+]1C)[C@H]1CCOC1 ZINC000638442706 352251924 /nfs/dbraw/zinc/25/19/24/352251924.db2.gz BFQFNEFJECLFNT-RWMBFGLXSA-N 2 2 242.363 0.722 20 0 BCADLP CO[C@H](C[NH2+]C[C@@H]1CCC[N@@H+]1C)[C@@H]1CCOC1 ZINC000638442704 352251992 /nfs/dbraw/zinc/25/19/92/352251992.db2.gz BFQFNEFJECLFNT-FRRDWIJNSA-N 2 2 242.363 0.722 20 0 BCADLP CO[C@H](C[NH2+]C[C@@H]1CCC[N@H+]1C)[C@@H]1CCOC1 ZINC000638442704 352251995 /nfs/dbraw/zinc/25/19/95/352251995.db2.gz BFQFNEFJECLFNT-FRRDWIJNSA-N 2 2 242.363 0.722 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2CC[NH2+]C23CCC3)c[nH+]1 ZINC000638510233 352333277 /nfs/dbraw/zinc/33/32/77/352333277.db2.gz VWJHKRZMKYYZFP-SNVBAGLBSA-N 2 2 234.303 0.733 20 0 BCADLP Cn1cc[nH+]c1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000336251039 180740481 /nfs/dbraw/zinc/74/04/81/180740481.db2.gz LYPHBUQGPTWBRG-CYBMUJFWSA-N 2 2 234.347 0.996 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cn(C)nn2)[C@H](C)C1 ZINC000607957052 352468368 /nfs/dbraw/zinc/46/83/68/352468368.db2.gz VQQNIKKBWKLNIW-PWSUYJOCSA-N 2 2 237.351 0.635 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cn(C)nn2)[C@H](C)C1 ZINC000607957052 352468372 /nfs/dbraw/zinc/46/83/72/352468372.db2.gz VQQNIKKBWKLNIW-PWSUYJOCSA-N 2 2 237.351 0.635 20 0 BCADLP C[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[NH2+]1 ZINC000638642515 352484023 /nfs/dbraw/zinc/48/40/23/352484023.db2.gz WQOYYUWANGSOPL-GWOFURMSSA-N 2 2 248.330 0.770 20 0 BCADLP C[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[NH2+]1 ZINC000638642515 352484025 /nfs/dbraw/zinc/48/40/25/352484025.db2.gz WQOYYUWANGSOPL-GWOFURMSSA-N 2 2 248.330 0.770 20 0 BCADLP Cn1ccnc1C[NH2+]CCC[NH+]1CCCC1 ZINC000049900697 180747866 /nfs/dbraw/zinc/74/78/66/180747866.db2.gz NZOLKDMMBLDZQL-UHFFFAOYSA-N 2 2 222.336 0.996 20 0 BCADLP CCN1CC[N@H+](CCc2c[nH+]cn2C)CC1=O ZINC000298427988 352504180 /nfs/dbraw/zinc/50/41/80/352504180.db2.gz MXKVABQBYGDGPQ-UHFFFAOYSA-N 2 2 236.319 0.127 20 0 BCADLP CCN1CC[N@@H+](CCc2c[nH+]cn2C)CC1=O ZINC000298427988 352504184 /nfs/dbraw/zinc/50/41/84/352504184.db2.gz MXKVABQBYGDGPQ-UHFFFAOYSA-N 2 2 236.319 0.127 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000086886624 352733451 /nfs/dbraw/zinc/73/34/51/352733451.db2.gz FKXNPRZRHVGOSK-CIUDSAMLSA-N 2 2 200.282 0.217 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000086886624 352733453 /nfs/dbraw/zinc/73/34/53/352733453.db2.gz FKXNPRZRHVGOSK-CIUDSAMLSA-N 2 2 200.282 0.217 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886622 352733661 /nfs/dbraw/zinc/73/36/61/352733661.db2.gz FKXNPRZRHVGOSK-VGMNWLOBSA-N 2 2 200.282 0.217 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886622 352733663 /nfs/dbraw/zinc/73/36/63/352733663.db2.gz FKXNPRZRHVGOSK-VGMNWLOBSA-N 2 2 200.282 0.217 20 0 BCADLP C[C@H]1[C@H](CO)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000412068156 191252162 /nfs/dbraw/zinc/25/21/62/191252162.db2.gz DYLYPJMGVVAPFA-RYUDHWBXSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H]1[C@H](CO)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000412068156 191252165 /nfs/dbraw/zinc/25/21/65/191252165.db2.gz DYLYPJMGVVAPFA-RYUDHWBXSA-N 2 2 223.320 0.976 20 0 BCADLP Cc1c[nH+]c(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)n1C ZINC000342846716 352873305 /nfs/dbraw/zinc/87/33/05/352873305.db2.gz NWWFXCDNKQQQFF-TXEJJXNPSA-N 2 2 234.347 0.722 20 0 BCADLP Cc1c[nH+]c(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)n1C ZINC000342846716 352873307 /nfs/dbraw/zinc/87/33/07/352873307.db2.gz NWWFXCDNKQQQFF-TXEJJXNPSA-N 2 2 234.347 0.722 20 0 BCADLP Cc1[nH+]ccn1CCC[NH+]1CCS(=O)CC1 ZINC000342855973 352876606 /nfs/dbraw/zinc/87/66/06/352876606.db2.gz AOHIABZLGSYOLX-UHFFFAOYSA-N 2 2 241.360 0.646 20 0 BCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC23CCC3)CC1 ZINC000334270082 352906227 /nfs/dbraw/zinc/90/62/27/352906227.db2.gz DXZARXNJNJSNAW-UHFFFAOYSA-N 2 2 237.347 0.389 20 0 BCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC23CCC3)CC1 ZINC000334270082 352906229 /nfs/dbraw/zinc/90/62/29/352906229.db2.gz DXZARXNJNJSNAW-UHFFFAOYSA-N 2 2 237.347 0.389 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCOCCOC)C1 ZINC000343034146 352940985 /nfs/dbraw/zinc/94/09/85/352940985.db2.gz MRECMVQUTWSRSO-QWHCGFSZSA-N 2 2 244.379 0.969 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCOCCOC)C1 ZINC000343034146 352940986 /nfs/dbraw/zinc/94/09/86/352940986.db2.gz MRECMVQUTWSRSO-QWHCGFSZSA-N 2 2 244.379 0.969 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCOCCOC)C1 ZINC000343034145 352941066 /nfs/dbraw/zinc/94/10/66/352941066.db2.gz MRECMVQUTWSRSO-OLZOCXBDSA-N 2 2 244.379 0.969 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCOCCOC)C1 ZINC000343034145 352941069 /nfs/dbraw/zinc/94/10/69/352941069.db2.gz MRECMVQUTWSRSO-OLZOCXBDSA-N 2 2 244.379 0.969 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC000343079275 352955377 /nfs/dbraw/zinc/95/53/77/352955377.db2.gz HAMNSXJNNPTKHL-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC000343079275 352955382 /nfs/dbraw/zinc/95/53/82/352955382.db2.gz HAMNSXJNNPTKHL-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP CO[C@]1(C[NH2+]CC[N@@H+]2CC[C@H](C)C2)CCOC1 ZINC000638874106 353044473 /nfs/dbraw/zinc/04/44/73/353044473.db2.gz PFEJSSPPVLIPQK-STQMWFEESA-N 2 2 242.363 0.723 20 0 BCADLP CO[C@]1(C[NH2+]CC[N@H+]2CC[C@H](C)C2)CCOC1 ZINC000638874106 353044475 /nfs/dbraw/zinc/04/44/75/353044475.db2.gz PFEJSSPPVLIPQK-STQMWFEESA-N 2 2 242.363 0.723 20 0 BCADLP CO[C@]1(C[NH2+]CC[N@@H+]2CC[C@@H](C)C2)CCOC1 ZINC000638874103 353044497 /nfs/dbraw/zinc/04/44/97/353044497.db2.gz PFEJSSPPVLIPQK-OLZOCXBDSA-N 2 2 242.363 0.723 20 0 BCADLP CO[C@]1(C[NH2+]CC[N@H+]2CC[C@@H](C)C2)CCOC1 ZINC000638874103 353044498 /nfs/dbraw/zinc/04/44/98/353044498.db2.gz PFEJSSPPVLIPQK-OLZOCXBDSA-N 2 2 242.363 0.723 20 0 BCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917364 353081117 /nfs/dbraw/zinc/08/11/17/353081117.db2.gz ORRJMHRAYSYYGL-DCAQKATOSA-N 2 2 246.314 0.018 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000638930141 353090985 /nfs/dbraw/zinc/09/09/85/353090985.db2.gz IULCNQIXSXMDSQ-GMTAPVOTSA-N 2 2 248.330 0.394 20 0 BCADLP Cn1ncnc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328686011 180854418 /nfs/dbraw/zinc/85/44/18/180854418.db2.gz XYKFHVHBHGHWQI-UHFFFAOYSA-N 2 2 246.318 0.918 20 0 BCADLP CC(=O)NC1CCC([NH2+]C[C@@H](C)[NH+](C)C)CC1 ZINC000361420078 188069939 /nfs/dbraw/zinc/06/99/39/188069939.db2.gz KPFJCOGECBNBJZ-QFWMXSHPSA-N 2 2 241.379 0.973 20 0 BCADLP CC(C)[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000361228305 188069957 /nfs/dbraw/zinc/06/99/57/188069957.db2.gz IPLJHHAJJCOXJX-RYUDHWBXSA-N 2 2 241.379 0.960 20 0 BCADLP CC(C)[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000361228305 188069959 /nfs/dbraw/zinc/06/99/59/188069959.db2.gz IPLJHHAJJCOXJX-RYUDHWBXSA-N 2 2 241.379 0.960 20 0 BCADLP CN(C(=O)C[N@H+](C)C1CC[NH2+]CC1)C1CC1 ZINC000049306447 353161374 /nfs/dbraw/zinc/16/13/74/353161374.db2.gz ZUGHKJQWDYJCSR-UHFFFAOYSA-N 2 2 225.336 0.291 20 0 BCADLP CN(C(=O)C[N@@H+](C)C1CC[NH2+]CC1)C1CC1 ZINC000049306447 353161377 /nfs/dbraw/zinc/16/13/77/353161377.db2.gz ZUGHKJQWDYJCSR-UHFFFAOYSA-N 2 2 225.336 0.291 20 0 BCADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CCOC1 ZINC000132118263 188143877 /nfs/dbraw/zinc/14/38/77/188143877.db2.gz CPQJEYDHWHKBRW-MNOVXSKESA-N 2 2 209.293 0.898 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC(C)(F)CC1 ZINC000638994540 353234000 /nfs/dbraw/zinc/23/40/00/353234000.db2.gz MOISUOBDBAAJAO-SNVBAGLBSA-N 2 2 245.342 0.616 20 0 BCADLP CC(=O)N1CC[N@H+](CCn2cc[nH+]c2)[C@@H](C)C1 ZINC000270829591 188198481 /nfs/dbraw/zinc/19/84/81/188198481.db2.gz CPXQHIUTTGMRBY-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP CC(=O)N1CC[N@@H+](CCn2cc[nH+]c2)[C@@H](C)C1 ZINC000270829591 188198484 /nfs/dbraw/zinc/19/84/84/188198484.db2.gz CPXQHIUTTGMRBY-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP CC[N@H+](C)CCN[C@H]1CCn2cc[nH+]c21 ZINC000294181691 188213059 /nfs/dbraw/zinc/21/30/59/188213059.db2.gz RXRZOAMYCPZFCY-JTQLQIEISA-N 2 2 208.309 0.869 20 0 BCADLP CC[N@@H+](C)CCN[C@H]1CCn2cc[nH+]c21 ZINC000294181691 188213061 /nfs/dbraw/zinc/21/30/61/188213061.db2.gz RXRZOAMYCPZFCY-JTQLQIEISA-N 2 2 208.309 0.869 20 0 BCADLP CC(C)OC[C@H]([NH3+])C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000639013180 353270860 /nfs/dbraw/zinc/27/08/60/353270860.db2.gz AUKFBUKDLHURDX-VIFPVBQESA-N 2 2 240.307 0.120 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000639017089 353274418 /nfs/dbraw/zinc/27/44/18/353274418.db2.gz RJAYDGFBZQQANV-ZWNOBZJWSA-N 2 2 248.330 0.758 20 0 BCADLP Cc1c(C[N@@H+]2CCn3c[nH+]cc3C2)cnn1C ZINC000291002437 188211625 /nfs/dbraw/zinc/21/16/25/188211625.db2.gz BAUZGULKACJAQS-UHFFFAOYSA-N 2 2 231.303 0.941 20 0 BCADLP Cc1c(C[N@H+]2CCn3c[nH+]cc3C2)cnn1C ZINC000291002437 188211626 /nfs/dbraw/zinc/21/16/26/188211626.db2.gz BAUZGULKACJAQS-UHFFFAOYSA-N 2 2 231.303 0.941 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]C2(C(N)=O)CC2)CC[N@@H+]1C ZINC000639043110 353326278 /nfs/dbraw/zinc/32/62/78/353326278.db2.gz PGVCBVYLMLCDBS-IUCAKERBSA-N 2 2 211.309 0.077 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]C2(C(N)=O)CC2)CC[N@H+]1C ZINC000639043110 353326281 /nfs/dbraw/zinc/32/62/81/353326281.db2.gz PGVCBVYLMLCDBS-IUCAKERBSA-N 2 2 211.309 0.077 20 0 BCADLP C[NH+]1CCN(C(=O)C[NH2+]CC2(C)CC2)CC1 ZINC000226376512 538115892 /nfs/dbraw/zinc/11/58/92/538115892.db2.gz DZHNPGYHBOFYID-UHFFFAOYSA-N 2 2 225.336 0.150 20 0 BCADLP c1cn(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c[nH+]1 ZINC000085283194 538116171 /nfs/dbraw/zinc/11/61/71/538116171.db2.gz PHXKUNMSBKKKAA-PHIMTYICSA-N 3 2 206.293 0.034 20 0 BCADLP c1cn(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c[nH+]1 ZINC000085283194 538116172 /nfs/dbraw/zinc/11/61/72/538116172.db2.gz PHXKUNMSBKKKAA-PHIMTYICSA-N 3 2 206.293 0.034 20 0 BCADLP CCn1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000085283448 538116453 /nfs/dbraw/zinc/11/64/53/538116453.db2.gz XFDCQJZFKIPUNC-RYUDHWBXSA-N 2 2 220.320 0.554 20 0 BCADLP CC(C)[NH2+]CC[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000367119930 133968286 /nfs/dbraw/zinc/96/82/86/133968286.db2.gz COCSFNQLHDLZBN-NSHDSACASA-N 2 2 239.363 0.775 20 0 BCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(=O)NC ZINC000336775312 353441266 /nfs/dbraw/zinc/44/12/66/353441266.db2.gz YRHWOVKDGMBMEW-WDEREUQCSA-N 2 2 227.352 0.585 20 0 BCADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(=O)NC ZINC000336775312 353441267 /nfs/dbraw/zinc/44/12/67/353441267.db2.gz YRHWOVKDGMBMEW-WDEREUQCSA-N 2 2 227.352 0.585 20 0 BCADLP CCOCCC[N@@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000165661766 353429726 /nfs/dbraw/zinc/42/97/26/353429726.db2.gz YSNHJFIZBUFDTF-VXGBXAGGSA-N 2 2 230.352 0.851 20 0 BCADLP CCOCCC[N@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000165661766 353429727 /nfs/dbraw/zinc/42/97/27/353429727.db2.gz YSNHJFIZBUFDTF-VXGBXAGGSA-N 2 2 230.352 0.851 20 0 BCADLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ncn(C)n1 ZINC000391880257 259445905 /nfs/dbraw/zinc/44/59/05/259445905.db2.gz VROPFDHRWIMIIT-GUBZILKMSA-N 2 2 223.324 0.736 20 0 BCADLP CC(C)CCCN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000165552663 324149447 /nfs/dbraw/zinc/14/94/47/324149447.db2.gz ADACKWACFZQTLM-LBPRGKRZSA-N 2 2 213.369 0.997 20 0 BCADLP CC(C)CCCN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000165552663 324149452 /nfs/dbraw/zinc/14/94/52/324149452.db2.gz ADACKWACFZQTLM-LBPRGKRZSA-N 2 2 213.369 0.997 20 0 BCADLP CCN(CC[NH3+])C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000627118152 363284700 /nfs/dbraw/zinc/28/47/00/363284700.db2.gz RXSVNVGNYGLKNK-SECBINFHSA-N 2 2 239.323 0.471 20 0 BCADLP CC[N@H+](CC(=O)NCc1c[nH+]c[nH]1)C1CC1 ZINC000343733295 353989059 /nfs/dbraw/zinc/98/90/59/353989059.db2.gz NDJUPVHURIXAAE-UHFFFAOYSA-N 2 2 222.292 0.510 20 0 BCADLP CC[N@@H+](CC(=O)NCc1c[nH+]c[nH]1)C1CC1 ZINC000343733295 353989062 /nfs/dbraw/zinc/98/90/62/353989062.db2.gz NDJUPVHURIXAAE-UHFFFAOYSA-N 2 2 222.292 0.510 20 0 BCADLP CC[N@@H+](CC(=O)NCc1c[nH]c[nH+]1)C1CC1 ZINC000343733295 353989068 /nfs/dbraw/zinc/98/90/68/353989068.db2.gz NDJUPVHURIXAAE-UHFFFAOYSA-N 2 2 222.292 0.510 20 0 BCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC[NH2+]1 ZINC000623176083 354002729 /nfs/dbraw/zinc/00/27/29/354002729.db2.gz DNQITJLGOZKPAB-MNOVXSKESA-N 2 2 248.330 0.266 20 0 BCADLP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CC[NH2+]C1 ZINC000623176228 354009493 /nfs/dbraw/zinc/00/94/93/354009493.db2.gz PJRHEMZENAGVQC-QWRGUYRKSA-N 2 2 248.330 0.266 20 0 BCADLP [NH3+]C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000623176310 354010548 /nfs/dbraw/zinc/01/05/48/354010548.db2.gz UMIYFXGIHHCZEO-GHMZBOCLSA-N 2 2 248.330 0.299 20 0 BCADLP CC[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623176394 354011556 /nfs/dbraw/zinc/01/15/56/354011556.db2.gz YJNNVHQVZJVXCE-JTQLQIEISA-N 2 2 236.319 0.171 20 0 BCADLP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+][C@@H](C)C[NH+](C)C ZINC000639168511 354075053 /nfs/dbraw/zinc/07/50/53/354075053.db2.gz SGZVTXJEHFRLSR-SDDRHHMPSA-N 2 2 241.379 0.973 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)NCCn1cc[nH+]c1 ZINC000344015139 354119675 /nfs/dbraw/zinc/11/96/75/354119675.db2.gz JPFGAQCLTJIKIE-UHFFFAOYSA-N 2 2 248.290 0.116 20 0 BCADLP COC1CC([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000230672966 363318873 /nfs/dbraw/zinc/31/88/73/363318873.db2.gz LOOVQKABVWSQOO-BMQDGWLCSA-N 2 2 210.321 0.990 20 0 BCADLP COC1CC([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000230672966 363318878 /nfs/dbraw/zinc/31/88/78/363318878.db2.gz LOOVQKABVWSQOO-BMQDGWLCSA-N 2 2 210.321 0.990 20 0 BCADLP C[NH+](C)C1(CNCc2[nH]cc[nH+]2)CCOCC1 ZINC000344453027 354262144 /nfs/dbraw/zinc/26/21/44/354262144.db2.gz UZMDDQQIDQHWKD-UHFFFAOYSA-N 2 2 238.335 0.610 20 0 BCADLP CC1CC([NH2+]C[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000231788225 363353873 /nfs/dbraw/zinc/35/38/73/363353873.db2.gz LXNCJPVQDOUMDD-HTAVTVPLSA-N 2 2 211.353 0.620 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C)C2)[C@@H](C)C1 ZINC000344459777 354264829 /nfs/dbraw/zinc/26/48/29/354264829.db2.gz MXSFZXPAMICPMG-TUAOUCFPSA-N 2 2 239.363 0.537 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C)C2)[C@@H](C)C1 ZINC000344459777 354264832 /nfs/dbraw/zinc/26/48/32/354264832.db2.gz MXSFZXPAMICPMG-TUAOUCFPSA-N 2 2 239.363 0.537 20 0 BCADLP CC1CC([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000231788225 363353877 /nfs/dbraw/zinc/35/38/77/363353877.db2.gz LXNCJPVQDOUMDD-HTAVTVPLSA-N 2 2 211.353 0.620 20 0 BCADLP CCN(C)C(=O)[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000231843145 363355039 /nfs/dbraw/zinc/35/50/39/363355039.db2.gz KFVDYECTYCKMBW-ZJUUUORDSA-N 2 2 213.325 0.195 20 0 BCADLP C[NH+]1CCC([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000334615706 354302320 /nfs/dbraw/zinc/30/23/20/354302320.db2.gz MSMHIJXEFHQMPG-JTQLQIEISA-N 3 2 247.333 0.915 20 0 BCADLP c1cn([C@@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)nn1 ZINC000578008230 366175340 /nfs/dbraw/zinc/17/53/40/366175340.db2.gz PZZLKESOLQOZLW-GFCCVEGCSA-N 2 2 246.318 0.812 20 0 BCADLP c1cn([C@@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)nn1 ZINC000578008230 366175348 /nfs/dbraw/zinc/17/53/48/366175348.db2.gz PZZLKESOLQOZLW-GFCCVEGCSA-N 2 2 246.318 0.812 20 0 BCADLP CCn1nncc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000530208570 324525929 /nfs/dbraw/zinc/52/59/29/324525929.db2.gz HTQXBUYTDKMLCU-ZJUUUORDSA-N 2 2 209.297 0.267 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000346556514 354967397 /nfs/dbraw/zinc/96/73/97/354967397.db2.gz XYEFYWARAVREMZ-STQMWFEESA-N 2 2 244.379 0.705 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000346556514 354967401 /nfs/dbraw/zinc/96/74/01/354967401.db2.gz XYEFYWARAVREMZ-STQMWFEESA-N 2 2 244.379 0.705 20 0 BCADLP COCCn1cc(C[NH+]2CCC([NH3+])CC2)cn1 ZINC000346627441 354997385 /nfs/dbraw/zinc/99/73/85/354997385.db2.gz AEIMZAQCMYFNDH-UHFFFAOYSA-N 2 2 238.335 0.453 20 0 BCADLP COC(=O)c1cc(C[NH+]2CCC([NH3+])CC2)c[nH]1 ZINC000346629452 354997809 /nfs/dbraw/zinc/99/78/09/354997809.db2.gz AVEXDASINMMQRC-UHFFFAOYSA-N 2 2 237.303 0.724 20 0 BCADLP [NH3+]C1CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000346633470 355014035 /nfs/dbraw/zinc/01/40/35/355014035.db2.gz DVWSCGDFTXIKJC-UHFFFAOYSA-N 2 2 231.303 0.652 20 0 BCADLP Cn1nnc2cc(C[N@@H+]3CC[C@H]([NH3+])C3)ccc21 ZINC000346634588 355014902 /nfs/dbraw/zinc/01/49/02/355014902.db2.gz GMLPFPYUKQMSBC-JTQLQIEISA-N 2 2 231.303 0.501 20 0 BCADLP Cn1nnc2cc(C[N@H+]3CC[C@H]([NH3+])C3)ccc21 ZINC000346634588 355014904 /nfs/dbraw/zinc/01/49/04/355014904.db2.gz GMLPFPYUKQMSBC-JTQLQIEISA-N 2 2 231.303 0.501 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000346823949 355125695 /nfs/dbraw/zinc/12/56/95/355125695.db2.gz KFGJXKJMPUBLFT-UHFFFAOYSA-N 2 2 249.362 0.726 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000346823949 355125697 /nfs/dbraw/zinc/12/56/97/355125697.db2.gz KFGJXKJMPUBLFT-UHFFFAOYSA-N 2 2 249.362 0.726 20 0 BCADLP CC(C)([NH3+])CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000346825132 355126568 /nfs/dbraw/zinc/12/65/68/355126568.db2.gz PMFDVGKHRBZGKR-GFCCVEGCSA-N 2 2 241.379 0.520 20 0 BCADLP CC(C)([NH3+])C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000346832369 355129721 /nfs/dbraw/zinc/12/97/21/355129721.db2.gz ZPQOQTFJKZFISJ-UHFFFAOYSA-N 2 2 240.351 0.213 20 0 BCADLP OCC[N@@H+](Cc1cccnc1)C[C@H]1CCC[NH2+]C1 ZINC000346840966 355133518 /nfs/dbraw/zinc/13/35/18/355133518.db2.gz GQQGESIBUNZJMM-AWEZNQCLSA-N 2 2 249.358 0.876 20 0 BCADLP OCC[N@H+](Cc1cccnc1)C[C@H]1CCC[NH2+]C1 ZINC000346840966 355133521 /nfs/dbraw/zinc/13/35/21/355133521.db2.gz GQQGESIBUNZJMM-AWEZNQCLSA-N 2 2 249.358 0.876 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])c[nH+]1 ZINC000335243454 355180484 /nfs/dbraw/zinc/18/04/84/355180484.db2.gz XWBVEJJBXMYDDL-UWVGGRQHSA-N 2 2 236.319 0.965 20 0 BCADLP COC[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000346985519 355186242 /nfs/dbraw/zinc/18/62/42/355186242.db2.gz OXGKBFORRSUULQ-NEPJUHHUSA-N 2 2 228.336 0.333 20 0 BCADLP COC[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000346985519 355186245 /nfs/dbraw/zinc/18/62/45/355186245.db2.gz OXGKBFORRSUULQ-NEPJUHHUSA-N 2 2 228.336 0.333 20 0 BCADLP CC(C)([NH3+])CN1CC[NH+](Cc2ccncc2)CC1 ZINC000346990376 355190723 /nfs/dbraw/zinc/19/07/23/355190723.db2.gz UIARNGDGDLNBTD-UHFFFAOYSA-N 2 2 248.374 0.937 20 0 BCADLP C[C@H]1C[N@H+](Cc2ccnc(N(C)C)n2)CC[C@H]1[NH3+] ZINC000346995655 355193712 /nfs/dbraw/zinc/19/37/12/355193712.db2.gz BRLOHQIOMIOISJ-CMPLNLGQSA-N 2 2 249.362 0.712 20 0 BCADLP C[C@H]1C[N@@H+](Cc2ccnc(N(C)C)n2)CC[C@H]1[NH3+] ZINC000346995655 355193713 /nfs/dbraw/zinc/19/37/13/355193713.db2.gz BRLOHQIOMIOISJ-CMPLNLGQSA-N 2 2 249.362 0.712 20 0 BCADLP C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346999717 355197111 /nfs/dbraw/zinc/19/71/11/355197111.db2.gz YYBGJRMKSLXYJH-QWRGUYRKSA-N 2 2 248.392 0.351 20 0 BCADLP C[C@@H](CS(C)(=O)=O)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346999717 355197112 /nfs/dbraw/zinc/19/71/12/355197112.db2.gz YYBGJRMKSLXYJH-QWRGUYRKSA-N 2 2 248.392 0.351 20 0 BCADLP Cn1ncnc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000639256870 355300194 /nfs/dbraw/zinc/30/01/94/355300194.db2.gz NIZCYTJNXUXMBN-UHFFFAOYSA-N 2 2 242.286 0.753 20 0 BCADLP NC(=[NH2+])NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000263943926 181189527 /nfs/dbraw/zinc/18/95/27/181189527.db2.gz DWBVVEQTZDKZPG-GFCCVEGCSA-N 2 2 248.330 0.370 20 0 BCADLP NC(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000263943926 181189529 /nfs/dbraw/zinc/18/95/29/181189529.db2.gz DWBVVEQTZDKZPG-GFCCVEGCSA-N 2 2 248.330 0.370 20 0 BCADLP CO[C@H](C[NH2+]CC1([NH+](C)C)CC1)[C@H]1CCOC1 ZINC000639271667 355340114 /nfs/dbraw/zinc/34/01/14/355340114.db2.gz PEGIBIZQZZHTGP-NWDGAFQWSA-N 2 2 242.363 0.722 20 0 BCADLP C[C@H]1CN(C(=O)[C@H]2CC[NH2+]CC2(F)F)CC[NH2+]1 ZINC000335990402 134040394 /nfs/dbraw/zinc/04/03/94/134040394.db2.gz DRAWPVDABAIHIL-DTWKUNHWSA-N 2 2 247.289 0.052 20 0 BCADLP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353241180 355462373 /nfs/dbraw/zinc/46/23/73/355462373.db2.gz LFSHVEIDZABMBQ-BREBYQMCSA-N 2 2 234.347 0.807 20 0 BCADLP C[C@@H]1CN(C)C[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353241182 355462764 /nfs/dbraw/zinc/46/27/64/355462764.db2.gz LFSHVEIDZABMBQ-GBIKHYSHSA-N 2 2 234.347 0.807 20 0 BCADLP C[NH2+]CCC[NH2+]Cc1ccc(C(=O)OC)o1 ZINC000414856897 191601579 /nfs/dbraw/zinc/60/15/79/191601579.db2.gz BIDYFNZTSCTFIS-UHFFFAOYSA-N 2 2 226.276 0.765 20 0 BCADLP C[NH2+]CCNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000415128867 191684526 /nfs/dbraw/zinc/68/45/26/191684526.db2.gz OLPNNPLIHQQFGX-UHFFFAOYSA-N 2 2 247.302 0.984 20 0 BCADLP CO[C@H](C[N@H+](C)CC1C[NH+](C)C1)C1CC1 ZINC000639310654 355665021 /nfs/dbraw/zinc/66/50/21/355665021.db2.gz VEQNZYYVJSBRBO-GFCCVEGCSA-N 2 2 212.337 0.905 20 0 BCADLP CO[C@H](C[N@@H+](C)CC1C[NH+](C)C1)C1CC1 ZINC000639310654 355665023 /nfs/dbraw/zinc/66/50/23/355665023.db2.gz VEQNZYYVJSBRBO-GFCCVEGCSA-N 2 2 212.337 0.905 20 0 BCADLP C[C@@H](CC(=O)N1CC([NH+](C)C)C1)n1cc[nH+]c1 ZINC000583569024 355632512 /nfs/dbraw/zinc/63/25/12/355632512.db2.gz HURKUUTVLDYRIQ-JTQLQIEISA-N 2 2 236.319 0.607 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335890457 355683396 /nfs/dbraw/zinc/68/33/96/355683396.db2.gz OMFUHFGBLNHLEO-CYBMUJFWSA-N 2 2 239.363 0.539 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335890457 355683398 /nfs/dbraw/zinc/68/33/98/355683398.db2.gz OMFUHFGBLNHLEO-CYBMUJFWSA-N 2 2 239.363 0.539 20 0 BCADLP CC(C)NC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335890457 355683401 /nfs/dbraw/zinc/68/34/01/355683401.db2.gz OMFUHFGBLNHLEO-CYBMUJFWSA-N 2 2 239.363 0.539 20 0 BCADLP CC(C)NC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335890457 355683404 /nfs/dbraw/zinc/68/34/04/355683404.db2.gz OMFUHFGBLNHLEO-CYBMUJFWSA-N 2 2 239.363 0.539 20 0 BCADLP O=C(CCn1cc[nH+]c1)NCC[C@H]1CCC[NH2+]1 ZINC000166684404 355756898 /nfs/dbraw/zinc/75/68/98/355756898.db2.gz BGOUZWZILDEXNA-LLVKDONJSA-N 2 2 236.319 0.532 20 0 BCADLP CO[C@@H](C[NH2+]C[C@H]1CCC[N@@H+]1C)[C@@H]1CCOC1 ZINC000639347968 355789167 /nfs/dbraw/zinc/78/91/67/355789167.db2.gz BFQFNEFJECLFNT-UPJWGTAASA-N 2 2 242.363 0.722 20 0 BCADLP CO[C@@H](C[NH2+]C[C@H]1CCC[N@H+]1C)[C@@H]1CCOC1 ZINC000639347968 355789170 /nfs/dbraw/zinc/78/91/70/355789170.db2.gz BFQFNEFJECLFNT-UPJWGTAASA-N 2 2 242.363 0.722 20 0 BCADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)[C@H]1CC1(F)F ZINC000639354144 355804112 /nfs/dbraw/zinc/80/41/12/355804112.db2.gz DUBUUOBSJKBAOU-OPRDCNLKSA-N 2 2 234.290 0.686 20 0 BCADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)[C@H]1CC1(F)F ZINC000639354144 355804113 /nfs/dbraw/zinc/80/41/13/355804113.db2.gz DUBUUOBSJKBAOU-OPRDCNLKSA-N 2 2 234.290 0.686 20 0 BCADLP C[C@@H](C(=O)NCCNc1cccc[nH+]1)[C@H](C)[NH3+] ZINC000584349023 355804547 /nfs/dbraw/zinc/80/45/47/355804547.db2.gz XYCIQIXHBAAKFR-ZJUUUORDSA-N 2 2 236.319 0.593 20 0 BCADLP Cc1[nH+]cc(C[N@H+](C)[C@@]2(CO)CCOC2)n1C ZINC000628368043 355862583 /nfs/dbraw/zinc/86/25/83/355862583.db2.gz JEHBREINUIGEAW-GFCCVEGCSA-N 2 2 239.319 0.312 20 0 BCADLP Cc1[nH+]cc(C[N@@H+](C)[C@@]2(CO)CCOC2)n1C ZINC000628368043 355862585 /nfs/dbraw/zinc/86/25/85/355862585.db2.gz JEHBREINUIGEAW-GFCCVEGCSA-N 2 2 239.319 0.312 20 0 BCADLP OCC[NH+](CCO)Cc1cccc2[nH+]ccn21 ZINC000628369530 355875051 /nfs/dbraw/zinc/87/50/51/355875051.db2.gz GMCTXWJQSPOVNH-UHFFFAOYSA-N 2 2 235.287 0.121 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@@H]1C ZINC000583638619 355940826 /nfs/dbraw/zinc/94/08/26/355940826.db2.gz CUKGADQBTGTACD-AXFHLTTASA-N 2 2 200.326 0.782 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@@H]1C ZINC000583638619 355940829 /nfs/dbraw/zinc/94/08/29/355940829.db2.gz CUKGADQBTGTACD-AXFHLTTASA-N 2 2 200.326 0.782 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1[C@H](C)C[C@@H]1C ZINC000583638619 355940833 /nfs/dbraw/zinc/94/08/33/355940833.db2.gz CUKGADQBTGTACD-AXFHLTTASA-N 2 2 200.326 0.782 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000583638619 355940836 /nfs/dbraw/zinc/94/08/36/355940836.db2.gz CUKGADQBTGTACD-AXFHLTTASA-N 2 2 200.326 0.782 20 0 BCADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)[C@H](C)CO ZINC000166905692 355937274 /nfs/dbraw/zinc/93/72/74/355937274.db2.gz WYOPRKQOPJZRJT-NXEZZACHSA-N 2 2 240.351 0.593 20 0 BCADLP O=C(Cn1cc[nH+]c1)N1CC[NH+](CC2CC2)CC1 ZINC000582214947 355885617 /nfs/dbraw/zinc/88/56/17/355885617.db2.gz XDROLIMCUGFDDJ-UHFFFAOYSA-N 2 2 248.330 0.437 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000167360087 355985584 /nfs/dbraw/zinc/98/55/84/355985584.db2.gz XOSCDSIIQAUYEB-NXEZZACHSA-N 2 2 227.352 0.583 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000167360087 355985589 /nfs/dbraw/zinc/98/55/89/355985589.db2.gz XOSCDSIIQAUYEB-NXEZZACHSA-N 2 2 227.352 0.583 20 0 BCADLP CC[C@@H](C(=O)N1CC[NH+](CC)CC1)[NH+](C)C ZINC000351490306 356000302 /nfs/dbraw/zinc/00/03/02/356000302.db2.gz KPVVGLDVLPJXJX-NSHDSACASA-N 2 2 227.352 0.491 20 0 BCADLP CC[N@H+](CC[NH2+][C@@H](C)CC(=O)NC)C1CC1 ZINC000167197007 355968346 /nfs/dbraw/zinc/96/83/46/355968346.db2.gz YTWNPTTUBLOKHF-JTQLQIEISA-N 2 2 227.352 0.585 20 0 BCADLP CC[N@@H+](CC[NH2+][C@@H](C)CC(=O)NC)C1CC1 ZINC000167197007 355968347 /nfs/dbraw/zinc/96/83/47/355968347.db2.gz YTWNPTTUBLOKHF-JTQLQIEISA-N 2 2 227.352 0.585 20 0 BCADLP NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000035133439 181225331 /nfs/dbraw/zinc/22/53/31/181225331.db2.gz NVPJRKMNPSFNHB-CYBMUJFWSA-N 2 2 247.342 0.726 20 0 BCADLP NC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000035133439 181225332 /nfs/dbraw/zinc/22/53/32/181225332.db2.gz NVPJRKMNPSFNHB-CYBMUJFWSA-N 2 2 247.342 0.726 20 0 BCADLP NC(=O)C[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000131110343 181246382 /nfs/dbraw/zinc/24/63/82/181246382.db2.gz NDQONXYRDRSZEK-LLVKDONJSA-N 2 2 236.319 0.613 20 0 BCADLP NC(=O)C[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000131110343 181246384 /nfs/dbraw/zinc/24/63/84/181246384.db2.gz NDQONXYRDRSZEK-LLVKDONJSA-N 2 2 236.319 0.613 20 0 BCADLP C[C@@H]1CN(c2nc[nH+]c(N)c2Cl)CC[NH2+]1 ZINC000420244118 192186129 /nfs/dbraw/zinc/18/61/29/192186129.db2.gz XOXRKYNBSIFJFO-ZCFIWIBFSA-N 2 2 227.699 0.510 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000639498045 356326287 /nfs/dbraw/zinc/32/62/87/356326287.db2.gz WIQJRJDLKJPBAG-LLVKDONJSA-N 2 2 236.319 0.125 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000639498045 356326288 /nfs/dbraw/zinc/32/62/88/356326288.db2.gz WIQJRJDLKJPBAG-LLVKDONJSA-N 2 2 236.319 0.125 20 0 BCADLP C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)OCC1CC1 ZINC000420335971 192214556 /nfs/dbraw/zinc/21/45/56/192214556.db2.gz IHUOUANERCIHFV-NEPJUHHUSA-N 2 2 210.321 0.707 20 0 BCADLP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)OCC1CC1 ZINC000420335971 192214558 /nfs/dbraw/zinc/21/45/58/192214558.db2.gz IHUOUANERCIHFV-NEPJUHHUSA-N 2 2 210.321 0.707 20 0 BCADLP CN(C)C(=O)CC[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420318012 192214927 /nfs/dbraw/zinc/21/49/27/192214927.db2.gz NPJJNZKBGNKAPU-LLVKDONJSA-N 2 2 225.336 0.291 20 0 BCADLP CN(C)C(=O)CC[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420318012 192214930 /nfs/dbraw/zinc/21/49/30/192214930.db2.gz NPJJNZKBGNKAPU-LLVKDONJSA-N 2 2 225.336 0.291 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420344660 192215771 /nfs/dbraw/zinc/21/57/71/192215771.db2.gz UOHOLSDEMZNEAG-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420344660 192215773 /nfs/dbraw/zinc/21/57/73/192215773.db2.gz UOHOLSDEMZNEAG-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP CCOC(=O)CC[N@@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000420344718 192216094 /nfs/dbraw/zinc/21/60/94/192216094.db2.gz UJKSSCUGRXBJEX-QWRGUYRKSA-N 2 2 228.336 0.999 20 0 BCADLP CCOC(=O)CC[N@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000420344718 192216100 /nfs/dbraw/zinc/21/61/00/192216100.db2.gz UJKSSCUGRXBJEX-QWRGUYRKSA-N 2 2 228.336 0.999 20 0 BCADLP [NH3+]CC[N@H+](CCO)CC[C@H]1CCCCO1 ZINC000420299365 192207804 /nfs/dbraw/zinc/20/78/04/192207804.db2.gz AXWWMCOUUXKDCU-LLVKDONJSA-N 2 2 216.325 0.199 20 0 BCADLP [NH3+]CC[N@@H+](CCO)CC[C@H]1CCCCO1 ZINC000420299365 192207809 /nfs/dbraw/zinc/20/78/09/192207809.db2.gz AXWWMCOUUXKDCU-LLVKDONJSA-N 2 2 216.325 0.199 20 0 BCADLP C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCc1c[nH+]cn1C ZINC000639519169 356363755 /nfs/dbraw/zinc/36/37/55/356363755.db2.gz OOMJGADTZCWRIZ-ZYHUDNBSSA-N 2 2 239.319 0.044 20 0 BCADLP C[C@@H]1CO[C@@H](CO)C[N@H+]1CCc1c[nH+]cn1C ZINC000639519169 356363760 /nfs/dbraw/zinc/36/37/60/356363760.db2.gz OOMJGADTZCWRIZ-ZYHUDNBSSA-N 2 2 239.319 0.044 20 0 BCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCCF)C1 ZINC000420311659 192211531 /nfs/dbraw/zinc/21/15/31/192211531.db2.gz RBTNFOJBCYZWGM-LLVKDONJSA-N 2 2 243.326 0.242 20 0 BCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCCF)C1 ZINC000420311659 192211532 /nfs/dbraw/zinc/21/15/32/192211532.db2.gz RBTNFOJBCYZWGM-LLVKDONJSA-N 2 2 243.326 0.242 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+][C@H]1CCN(C)C1=O ZINC000420367661 192225980 /nfs/dbraw/zinc/22/59/80/192225980.db2.gz NAOKCCTVRYKJFK-CHWFTXMASA-N 2 2 225.336 0.193 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)[C@@H]1CCCOC1 ZINC000352186227 134099417 /nfs/dbraw/zinc/09/94/17/134099417.db2.gz KBVDIKPZTLWYIR-LLVKDONJSA-N 2 2 209.293 0.994 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCCOC1 ZINC000352186227 134099418 /nfs/dbraw/zinc/09/94/18/134099418.db2.gz KBVDIKPZTLWYIR-LLVKDONJSA-N 2 2 209.293 0.994 20 0 BCADLP CC[C@H](C)NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420368539 192225339 /nfs/dbraw/zinc/22/53/39/192225339.db2.gz NPRMWUVBILJGEW-MPPDQPJWSA-N 2 2 241.379 0.877 20 0 BCADLP CCCNC(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420387900 192235152 /nfs/dbraw/zinc/23/51/52/192235152.db2.gz WIVFXTWAVNKWQB-CYBMUJFWSA-N 2 2 239.363 0.588 20 0 BCADLP CCCNC(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420387900 192235154 /nfs/dbraw/zinc/23/51/54/192235154.db2.gz WIVFXTWAVNKWQB-CYBMUJFWSA-N 2 2 239.363 0.588 20 0 BCADLP C[N@H+](CC[NH3+])CCOCCOc1ccccc1 ZINC000420377016 192232189 /nfs/dbraw/zinc/23/21/89/192232189.db2.gz KLQCJJWBAQIJDW-UHFFFAOYSA-N 2 2 238.331 0.973 20 0 BCADLP C[N@@H+](CC[NH3+])CCOCCOc1ccccc1 ZINC000420377016 192232191 /nfs/dbraw/zinc/23/21/91/192232191.db2.gz KLQCJJWBAQIJDW-UHFFFAOYSA-N 2 2 238.331 0.973 20 0 BCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000420375337 192232403 /nfs/dbraw/zinc/23/24/03/192232403.db2.gz SURGFAYAFLUZPD-JFGNBEQYSA-N 2 2 222.336 0.896 20 0 BCADLP CC[C@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@@H]1O ZINC000639554574 356456843 /nfs/dbraw/zinc/45/68/43/356456843.db2.gz LIWKAELTFPHAHU-JQWIXIFHSA-N 2 2 223.320 0.665 20 0 BCADLP CC[C@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@@H]1O ZINC000639554574 356456848 /nfs/dbraw/zinc/45/68/48/356456848.db2.gz LIWKAELTFPHAHU-JQWIXIFHSA-N 2 2 223.320 0.665 20 0 BCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCn1cc[nH+]c1 ZINC000368971880 181276286 /nfs/dbraw/zinc/27/62/86/181276286.db2.gz DNKIQQMOUSIEBL-TUAOUCFPSA-N 2 2 248.330 0.469 20 0 BCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCn1cc[nH+]c1 ZINC000368971880 181276287 /nfs/dbraw/zinc/27/62/87/181276287.db2.gz DNKIQQMOUSIEBL-TUAOUCFPSA-N 2 2 248.330 0.469 20 0 BCADLP C[C@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@H]1O ZINC000639558020 356463055 /nfs/dbraw/zinc/46/30/55/356463055.db2.gz WCEKJKLNRAPUTN-GXSJLCMTSA-N 2 2 209.293 0.275 20 0 BCADLP C[C@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@H]1O ZINC000639558020 356463059 /nfs/dbraw/zinc/46/30/59/356463059.db2.gz WCEKJKLNRAPUTN-GXSJLCMTSA-N 2 2 209.293 0.275 20 0 BCADLP C[C@@H]1[C@H](C)N(CCc2c[nH+]cn2C)CC[N@H+]1C ZINC000639559020 356465090 /nfs/dbraw/zinc/46/50/90/356465090.db2.gz NMGDEYGZRHNTSX-NEPJUHHUSA-N 2 2 236.363 0.987 20 0 BCADLP C[C@@H]1[C@H](C)N(CCc2c[nH+]cn2C)CC[N@@H+]1C ZINC000639559020 356465091 /nfs/dbraw/zinc/46/50/91/356465091.db2.gz NMGDEYGZRHNTSX-NEPJUHHUSA-N 2 2 236.363 0.987 20 0 BCADLP NC(=O)[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000183449154 181282007 /nfs/dbraw/zinc/28/20/07/181282007.db2.gz WGMMEJIEIYJACU-JTQLQIEISA-N 2 2 244.298 0.642 20 0 BCADLP NC(=O)[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000183449154 181282008 /nfs/dbraw/zinc/28/20/08/181282008.db2.gz WGMMEJIEIYJACU-JTQLQIEISA-N 2 2 244.298 0.642 20 0 BCADLP C[C@H]1C[N@H+](CCc2c[nH+]cn2C)CCC1=O ZINC000639592867 356510844 /nfs/dbraw/zinc/51/08/44/356510844.db2.gz NQAKJKTTYDLCTG-JTQLQIEISA-N 2 2 221.304 0.874 20 0 BCADLP C[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CCC1=O ZINC000639592867 356510848 /nfs/dbraw/zinc/51/08/48/356510848.db2.gz NQAKJKTTYDLCTG-JTQLQIEISA-N 2 2 221.304 0.874 20 0 BCADLP C[C@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@H](CO)O1 ZINC000639607299 356522324 /nfs/dbraw/zinc/52/23/24/356522324.db2.gz RJODOVKBKGTTCY-CMPLNLGQSA-N 2 2 239.319 0.044 20 0 BCADLP C[C@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@H](CO)O1 ZINC000639607299 356522326 /nfs/dbraw/zinc/52/23/26/356522326.db2.gz RJODOVKBKGTTCY-CMPLNLGQSA-N 2 2 239.319 0.044 20 0 BCADLP C[C@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@H]1CO ZINC000639604084 356524599 /nfs/dbraw/zinc/52/45/99/356524599.db2.gz JTFQQUDZMOTMPP-JQWIXIFHSA-N 2 2 223.320 0.665 20 0 BCADLP C[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@H]1CO ZINC000639604084 356524600 /nfs/dbraw/zinc/52/46/00/356524600.db2.gz JTFQQUDZMOTMPP-JQWIXIFHSA-N 2 2 223.320 0.665 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)[C@@]1(CO)CCOC1 ZINC000639596250 356516054 /nfs/dbraw/zinc/51/60/54/356516054.db2.gz JVNXZYSOXGFXPT-GFCCVEGCSA-N 2 2 239.319 0.046 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000639596250 356516059 /nfs/dbraw/zinc/51/60/59/356516059.db2.gz JVNXZYSOXGFXPT-GFCCVEGCSA-N 2 2 239.319 0.046 20 0 BCADLP CN(CCn1cc[nH+]c1)C[C@H]1CCC[N@@H+]1C ZINC000420996562 192293275 /nfs/dbraw/zinc/29/32/75/192293275.db2.gz FTHASYGMJHIIAZ-GFCCVEGCSA-N 2 2 222.336 0.909 20 0 BCADLP CN(CCn1cc[nH+]c1)C[C@H]1CCC[N@H+]1C ZINC000420996562 192293276 /nfs/dbraw/zinc/29/32/76/192293276.db2.gz FTHASYGMJHIIAZ-GFCCVEGCSA-N 2 2 222.336 0.909 20 0 BCADLP CO[C@@H](C)C[N@H+](C)CCc1c[nH+]cn1C ZINC000639644717 356557723 /nfs/dbraw/zinc/55/77/23/356557723.db2.gz ZWFVRSBOYGFDCP-JTQLQIEISA-N 2 2 211.309 0.929 20 0 BCADLP CO[C@@H](C)C[N@@H+](C)CCc1c[nH+]cn1C ZINC000639644717 356557725 /nfs/dbraw/zinc/55/77/25/356557725.db2.gz ZWFVRSBOYGFDCP-JTQLQIEISA-N 2 2 211.309 0.929 20 0 BCADLP CN(C)C(=O)C1([NH2+]CCc2c[nH+]cn2C)CC1 ZINC000639673830 356590620 /nfs/dbraw/zinc/59/06/20/356590620.db2.gz KNPHGKXSDDXUOX-UHFFFAOYSA-N 2 2 236.319 0.173 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623303898 356594294 /nfs/dbraw/zinc/59/42/94/356594294.db2.gz NCYDGPLUFVVQQV-JQWIXIFHSA-N 2 2 248.330 0.408 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623303898 356594296 /nfs/dbraw/zinc/59/42/96/356594296.db2.gz NCYDGPLUFVVQQV-JQWIXIFHSA-N 2 2 248.330 0.408 20 0 BCADLP C[C@@H]1C[C@H](O)C[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639669997 356583003 /nfs/dbraw/zinc/58/30/03/356583003.db2.gz GBXQVOFAJNQCIP-PWSUYJOCSA-N 2 2 223.320 0.665 20 0 BCADLP C[C@@H]1C[C@H](O)C[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639669997 356583008 /nfs/dbraw/zinc/58/30/08/356583008.db2.gz GBXQVOFAJNQCIP-PWSUYJOCSA-N 2 2 223.320 0.665 20 0 BCADLP CC(C)[C@H](O)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422987121 192518843 /nfs/dbraw/zinc/51/88/43/192518843.db2.gz FIXFIXOYGXNHDD-JHJVBQTASA-N 2 2 242.363 0.360 20 0 BCADLP C[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc2C1)[NH+](C)C ZINC000623307395 356610709 /nfs/dbraw/zinc/61/07/09/356610709.db2.gz FZIJKPLWQYZDPE-UWVGGRQHSA-N 2 2 236.319 0.264 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000423066021 192557963 /nfs/dbraw/zinc/55/79/63/192557963.db2.gz VWDJWKGCCBTQJW-LMLFDSFASA-N 2 2 212.337 0.733 20 0 BCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2cccnc2)C1 ZINC000639761005 356676139 /nfs/dbraw/zinc/67/61/39/356676139.db2.gz DPEXRJICMJJTHH-CQSZACIVSA-N 2 2 249.358 0.970 20 0 BCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2cccnc2)C1 ZINC000639761005 356676143 /nfs/dbraw/zinc/67/61/43/356676143.db2.gz DPEXRJICMJJTHH-CQSZACIVSA-N 2 2 249.358 0.970 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H]1C ZINC000578140201 366320433 /nfs/dbraw/zinc/32/04/33/366320433.db2.gz BYHRTRNWHNQTPA-UTUOFQBUSA-N 2 2 230.352 0.266 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H]1C ZINC000578140201 366320437 /nfs/dbraw/zinc/32/04/37/366320437.db2.gz BYHRTRNWHNQTPA-UTUOFQBUSA-N 2 2 230.352 0.266 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H]1C ZINC000578140201 366320440 /nfs/dbraw/zinc/32/04/40/366320440.db2.gz BYHRTRNWHNQTPA-UTUOFQBUSA-N 2 2 230.352 0.266 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000111695674 356698692 /nfs/dbraw/zinc/69/86/92/356698692.db2.gz UDBANDUMAFADLO-VXGBXAGGSA-N 2 2 241.379 0.818 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000111695674 356698693 /nfs/dbraw/zinc/69/86/93/356698693.db2.gz UDBANDUMAFADLO-VXGBXAGGSA-N 2 2 241.379 0.818 20 0 BCADLP C[NH2+]CCC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000578190997 366376136 /nfs/dbraw/zinc/37/61/36/366376136.db2.gz LRXBXVZDXWMCEZ-JTQLQIEISA-N 2 2 224.308 0.833 20 0 BCADLP C[C@H]1CC[C@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000623759009 356821187 /nfs/dbraw/zinc/82/11/87/356821187.db2.gz WLHFDNKVLFMRQZ-SDDRHHMPSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@H]1CC[C@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000623759009 356821188 /nfs/dbraw/zinc/82/11/88/356821188.db2.gz WLHFDNKVLFMRQZ-SDDRHHMPSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@]1(CO)C[C@H](O)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000639852726 356856590 /nfs/dbraw/zinc/85/65/90/356856590.db2.gz GWONJSHUUKWMRK-NWDGAFQWSA-N 2 2 239.319 0.091 20 0 BCADLP C[C@]1(CO)C[C@H](O)C[N@H+]1CCCn1cc[nH+]c1 ZINC000639852726 356856591 /nfs/dbraw/zinc/85/65/91/356856591.db2.gz GWONJSHUUKWMRK-NWDGAFQWSA-N 2 2 239.319 0.091 20 0 BCADLP CC(C)C[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000361982511 356939989 /nfs/dbraw/zinc/93/99/89/356939989.db2.gz USYCICGVDKSLKF-LLVKDONJSA-N 2 2 200.326 0.905 20 0 BCADLP CC(C)C[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000361982511 356939993 /nfs/dbraw/zinc/93/99/93/356939993.db2.gz USYCICGVDKSLKF-LLVKDONJSA-N 2 2 200.326 0.905 20 0 BCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(N)=O ZINC000120611306 357056712 /nfs/dbraw/zinc/05/67/12/357056712.db2.gz GPBZREPSTXCNNS-VHSXEESVSA-N 2 2 213.325 0.324 20 0 BCADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(N)=O ZINC000120611306 357056716 /nfs/dbraw/zinc/05/67/16/357056716.db2.gz GPBZREPSTXCNNS-VHSXEESVSA-N 2 2 213.325 0.324 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)C1 ZINC000390496150 357096320 /nfs/dbraw/zinc/09/63/20/357096320.db2.gz RIJLFCHZWPUZHQ-RYUDHWBXSA-N 2 2 230.352 0.267 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)C1 ZINC000390496150 357096324 /nfs/dbraw/zinc/09/63/24/357096324.db2.gz RIJLFCHZWPUZHQ-RYUDHWBXSA-N 2 2 230.352 0.267 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)C1 ZINC000390496150 357096328 /nfs/dbraw/zinc/09/63/28/357096328.db2.gz RIJLFCHZWPUZHQ-RYUDHWBXSA-N 2 2 230.352 0.267 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)C1 ZINC000390496150 357096329 /nfs/dbraw/zinc/09/63/29/357096329.db2.gz RIJLFCHZWPUZHQ-RYUDHWBXSA-N 2 2 230.352 0.267 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000393926103 357307233 /nfs/dbraw/zinc/30/72/33/357307233.db2.gz KAINLBGUAWVSGE-WHOHXGKFSA-N 2 2 228.336 0.066 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000393926103 357307236 /nfs/dbraw/zinc/30/72/36/357307236.db2.gz KAINLBGUAWVSGE-WHOHXGKFSA-N 2 2 228.336 0.066 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000393926097 357307264 /nfs/dbraw/zinc/30/72/64/357307264.db2.gz KAINLBGUAWVSGE-USZNOCQGSA-N 2 2 228.336 0.066 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000393926097 357307266 /nfs/dbraw/zinc/30/72/66/357307266.db2.gz KAINLBGUAWVSGE-USZNOCQGSA-N 2 2 228.336 0.066 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000582722039 357371572 /nfs/dbraw/zinc/37/15/72/357371572.db2.gz LPWJAKXVTPJMOO-LLVKDONJSA-N 2 2 246.318 0.799 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000582722039 357371574 /nfs/dbraw/zinc/37/15/74/357371574.db2.gz LPWJAKXVTPJMOO-LLVKDONJSA-N 2 2 246.318 0.799 20 0 BCADLP Cc1cc(CNC(=O)COC2C[NH2+]C2)cc(C)[nH+]1 ZINC000582485364 357317808 /nfs/dbraw/zinc/31/78/08/357317808.db2.gz INIRRQWOJSLTOC-UHFFFAOYSA-N 2 2 249.314 0.303 20 0 BCADLP C[C@@H](CC(=O)N1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000582608147 357350166 /nfs/dbraw/zinc/35/01/66/357350166.db2.gz CAQPHWHFKGYIHA-NSHDSACASA-N 2 2 236.319 0.608 20 0 BCADLP Cn1c[nH+]cc1CNc1[nH+]cnc2[nH]ccc21 ZINC000357602583 538832302 /nfs/dbraw/zinc/83/23/02/538832302.db2.gz GJMFKMOQZKHUIB-UHFFFAOYSA-N 2 2 228.259 0.725 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H](C)C[S@@](C)=O)n1C ZINC000582675811 357361650 /nfs/dbraw/zinc/36/16/50/357361650.db2.gz ACZYXYINNXXVKJ-VXJOIVPMSA-N 2 2 229.349 0.585 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050249396 357403739 /nfs/dbraw/zinc/40/37/39/357403739.db2.gz QIIFXJWLDHAGJC-DTWKUNHWSA-N 2 2 200.282 0.219 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050249396 357403741 /nfs/dbraw/zinc/40/37/41/357403741.db2.gz QIIFXJWLDHAGJC-DTWKUNHWSA-N 2 2 200.282 0.219 20 0 BCADLP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623408517 357405692 /nfs/dbraw/zinc/40/56/92/357405692.db2.gz YVTXJHWIHXAAGY-RYUDHWBXSA-N 3 2 243.395 0.371 20 0 BCADLP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623408517 357405694 /nfs/dbraw/zinc/40/56/94/357405694.db2.gz YVTXJHWIHXAAGY-RYUDHWBXSA-N 3 2 243.395 0.371 20 0 BCADLP C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC000583031063 357463068 /nfs/dbraw/zinc/46/30/68/357463068.db2.gz WTSZWYAPILIOSR-MNOVXSKESA-N 2 2 234.303 0.046 20 0 BCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000583104143 357476786 /nfs/dbraw/zinc/47/67/86/357476786.db2.gz RTZIXKIZGIDHSM-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000583104143 357476791 /nfs/dbraw/zinc/47/67/91/357476791.db2.gz RTZIXKIZGIDHSM-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP [NH3+]CC1(CC(=O)Nc2cc[nH+]cc2O)CC1 ZINC000583202203 357517990 /nfs/dbraw/zinc/51/79/90/357517990.db2.gz SSHHGZOXARWQMN-UHFFFAOYSA-N 2 2 221.260 0.277 20 0 BCADLP CC(C)[N@H+](C)CCC[NH2+]Cc1cn(C)nn1 ZINC000230639627 357542282 /nfs/dbraw/zinc/54/22/82/357542282.db2.gz YPNQXUBOLUQLMH-UHFFFAOYSA-N 2 2 225.340 0.635 20 0 BCADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cn(C)nn1 ZINC000230639627 357542283 /nfs/dbraw/zinc/54/22/83/357542283.db2.gz YPNQXUBOLUQLMH-UHFFFAOYSA-N 2 2 225.340 0.635 20 0 BCADLP CCN(C)C(=O)[C@@H](C)[NH2+]CC[NH2+]C(C)(C)C ZINC000230977092 357585622 /nfs/dbraw/zinc/58/56/22/357585622.db2.gz AGXZHWNNUJYNPS-SNVBAGLBSA-N 2 2 229.368 0.831 20 0 BCADLP CCN(C)C(=O)[C@H](C)[NH2+]CC[NH2+]C(C)(C)C ZINC000230977094 357585718 /nfs/dbraw/zinc/58/57/18/357585718.db2.gz AGXZHWNNUJYNPS-JTQLQIEISA-N 2 2 229.368 0.831 20 0 BCADLP Cc1[nH]ncc1C[NH2+]CCOCC[NH+](C)C ZINC000231676083 357619598 /nfs/dbraw/zinc/61/95/98/357619598.db2.gz XBCILAXEXJKIMW-UHFFFAOYSA-N 2 2 226.324 0.386 20 0 BCADLP Cn1c[nH+]cc1CN1CCCC[C@@H]1C[NH3+] ZINC000085170763 134224456 /nfs/dbraw/zinc/22/44/56/134224456.db2.gz JWOYDTMDPRXZIV-SNVBAGLBSA-N 2 2 208.309 0.733 20 0 BCADLP Cn1c[nH+]cc1CN1CCCC[C@H]1C[NH3+] ZINC000085170766 134224506 /nfs/dbraw/zinc/22/45/06/134224506.db2.gz JWOYDTMDPRXZIV-JTQLQIEISA-N 2 2 208.309 0.733 20 0 BCADLP CCCNC(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129728455 491115947 /nfs/dbraw/zinc/11/59/47/491115947.db2.gz BHVCQSJXUIUUJT-GHMZBOCLSA-N 2 2 227.352 0.585 20 0 BCADLP CCCNC(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129728455 491115949 /nfs/dbraw/zinc/11/59/49/491115949.db2.gz BHVCQSJXUIUUJT-GHMZBOCLSA-N 2 2 227.352 0.585 20 0 BCADLP [NH3+][C@H](C(=O)NCc1[nH]cc[nH+]1)C1CCC1 ZINC000398975415 357892853 /nfs/dbraw/zinc/89/28/53/357892853.db2.gz BEVXTARTTQNJKD-VIFPVBQESA-N 2 2 208.265 0.153 20 0 BCADLP COCC[NH2+]CC(=O)Nc1cc[nH+]cc1C ZINC000086158298 357863552 /nfs/dbraw/zinc/86/35/52/357863552.db2.gz PZRHNWIQKDXUNW-UHFFFAOYSA-N 2 2 223.276 0.565 20 0 BCADLP [NH3+][C@H](C(=O)NCCCn1cc[nH+]c1)C1CCC1 ZINC000399257002 357900593 /nfs/dbraw/zinc/90/05/93/357900593.db2.gz NSAFJGVZSJYSCS-NSHDSACASA-N 2 2 236.319 0.517 20 0 BCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000583810913 357955737 /nfs/dbraw/zinc/95/57/37/357955737.db2.gz PVMPLCOMERZTBY-NXEZZACHSA-N 2 2 239.323 0.308 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000583823925 357959089 /nfs/dbraw/zinc/95/90/89/357959089.db2.gz MUAXWCKWLHRKNW-SNVBAGLBSA-N 2 2 237.307 0.288 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000583823925 357959092 /nfs/dbraw/zinc/95/90/92/357959092.db2.gz MUAXWCKWLHRKNW-SNVBAGLBSA-N 2 2 237.307 0.288 20 0 BCADLP CO[C@H]1C[N@H+](CCn2cc[nH+]c2)[C@](C)(CO)C1 ZINC000639997785 358034773 /nfs/dbraw/zinc/03/47/73/358034773.db2.gz BUUREVUSDVOJEF-NEPJUHHUSA-N 2 2 239.319 0.355 20 0 BCADLP CO[C@H]1C[N@@H+](CCn2cc[nH+]c2)[C@](C)(CO)C1 ZINC000639997785 358034779 /nfs/dbraw/zinc/03/47/79/358034779.db2.gz BUUREVUSDVOJEF-NEPJUHHUSA-N 2 2 239.319 0.355 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)CC[NH2+]C1CC1 ZINC000037823042 358095186 /nfs/dbraw/zinc/09/51/86/358095186.db2.gz AOJQRYXNOHQWJC-UHFFFAOYSA-N 2 2 236.319 0.521 20 0 BCADLP C[C@H]1CCN(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000584783017 358177171 /nfs/dbraw/zinc/17/71/71/358177171.db2.gz IOLPGLMWEAXVNW-WDEREUQCSA-N 2 2 240.351 0.023 20 0 BCADLP NC(=O)c1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000019507647 181295570 /nfs/dbraw/zinc/29/55/70/181295570.db2.gz FGTNVBSRHQWVPO-UHFFFAOYSA-N 2 2 233.315 0.581 20 0 BCADLP NC(=O)c1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000019507647 181295572 /nfs/dbraw/zinc/29/55/72/181295572.db2.gz FGTNVBSRHQWVPO-UHFFFAOYSA-N 2 2 233.315 0.581 20 0 BCADLP CC(C)OC1CC([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000628465096 358229756 /nfs/dbraw/zinc/22/97/56/358229756.db2.gz SOHZSRXQQXLQNQ-OTTFEQOBSA-N 2 2 242.363 0.599 20 0 BCADLP CC(C)OC1CC([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000628465096 358229757 /nfs/dbraw/zinc/22/97/57/358229757.db2.gz SOHZSRXQQXLQNQ-OTTFEQOBSA-N 2 2 242.363 0.599 20 0 BCADLP [NH3+]Cc1ccc(C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000224981722 358243527 /nfs/dbraw/zinc/24/35/27/358243527.db2.gz CLAKPVPDKGRDNB-LBPRGKRZSA-N 3 2 205.305 0.597 20 0 BCADLP CC(C)OC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000226043542 358333239 /nfs/dbraw/zinc/33/32/39/358333239.db2.gz DJCCPKVNGUOMML-VXGBXAGGSA-N 2 2 230.352 0.456 20 0 BCADLP CC(C)OC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000226043542 358333240 /nfs/dbraw/zinc/33/32/40/358333240.db2.gz DJCCPKVNGUOMML-VXGBXAGGSA-N 2 2 230.352 0.456 20 0 BCADLP CCOC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000226049212 358333293 /nfs/dbraw/zinc/33/32/93/358333293.db2.gz MPCZQBGWZNPUAQ-QWRGUYRKSA-N 2 2 216.325 0.068 20 0 BCADLP CCOC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000226049212 358333294 /nfs/dbraw/zinc/33/32/94/358333294.db2.gz MPCZQBGWZNPUAQ-QWRGUYRKSA-N 2 2 216.325 0.068 20 0 BCADLP c1cn(CCC[NH2+][C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000043325258 358372938 /nfs/dbraw/zinc/37/29/38/358372938.db2.gz UEIVADUFGWFGAO-NSHDSACASA-N 3 2 208.309 0.615 20 0 BCADLP c1cn(CCC[NH2+][C@H]2CCC[NH2+]C2)cn1 ZINC000043325258 358372941 /nfs/dbraw/zinc/37/29/41/358372941.db2.gz UEIVADUFGWFGAO-NSHDSACASA-N 2 2 208.309 0.615 20 0 BCADLP CC[C@@H]([NH3+])C(=O)NCCCCn1cc[nH+]c1 ZINC000045109218 358401277 /nfs/dbraw/zinc/40/12/77/358401277.db2.gz XVYQCVALQCLXTJ-SNVBAGLBSA-N 2 2 224.308 0.517 20 0 BCADLP Cn1nncc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000129674897 358592539 /nfs/dbraw/zinc/59/25/39/358592539.db2.gz NYZNRSUKKYYXIB-UHFFFAOYSA-N 2 2 225.340 0.493 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261557145 535434220 /nfs/dbraw/zinc/43/42/20/535434220.db2.gz RIBPVMYAXAUXIV-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261557145 535434224 /nfs/dbraw/zinc/43/42/24/535434224.db2.gz RIBPVMYAXAUXIV-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000086886492 535434019 /nfs/dbraw/zinc/43/40/19/535434019.db2.gz VQZWQXJTHZMFSM-GHMZBOCLSA-N 2 2 227.352 0.524 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000086886492 535434024 /nfs/dbraw/zinc/43/40/24/535434024.db2.gz VQZWQXJTHZMFSM-GHMZBOCLSA-N 2 2 227.352 0.524 20 0 BCADLP C[C@@H]([NH2+]Cc1c[nH+]cn1C)C(=O)N1CCCC1 ZINC000134588435 358796425 /nfs/dbraw/zinc/79/64/25/358796425.db2.gz GXCHZLGZYJRYBS-SNVBAGLBSA-N 2 2 236.319 0.521 20 0 BCADLP Cc1ccncc1C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000135461237 358839876 /nfs/dbraw/zinc/83/98/76/358839876.db2.gz NFZCTSVXCPPBIB-CQSZACIVSA-N 2 2 248.374 0.725 20 0 BCADLP Cc1ccncc1C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000135461237 358839878 /nfs/dbraw/zinc/83/98/78/358839878.db2.gz NFZCTSVXCPPBIB-CQSZACIVSA-N 2 2 248.374 0.725 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)C2CC2)n1C ZINC000070144232 359043242 /nfs/dbraw/zinc/04/32/42/359043242.db2.gz RMTGOEPLZABVBI-NSHDSACASA-N 2 2 238.335 0.347 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000070800180 359064038 /nfs/dbraw/zinc/06/40/38/359064038.db2.gz SNMLAIUXGYPEIK-LLVKDONJSA-N 2 2 227.352 0.444 20 0 BCADLP CCCCNC(=O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000070800180 359064040 /nfs/dbraw/zinc/06/40/40/359064040.db2.gz SNMLAIUXGYPEIK-LLVKDONJSA-N 2 2 227.352 0.444 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)C)[C@@H](C)C1 ZINC000246973408 359178373 /nfs/dbraw/zinc/17/83/73/359178373.db2.gz JDWDOKOJCVRBHU-NWDGAFQWSA-N 2 2 241.379 0.737 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)C)[C@@H](C)C1 ZINC000246973408 359178379 /nfs/dbraw/zinc/17/83/79/359178379.db2.gz JDWDOKOJCVRBHU-NWDGAFQWSA-N 2 2 241.379 0.737 20 0 BCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)C)[C@@H](C)C1 ZINC000246973408 359178382 /nfs/dbraw/zinc/17/83/82/359178382.db2.gz JDWDOKOJCVRBHU-NWDGAFQWSA-N 2 2 241.379 0.737 20 0 BCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)C)[C@@H](C)C1 ZINC000246973408 359178387 /nfs/dbraw/zinc/17/83/87/359178387.db2.gz JDWDOKOJCVRBHU-NWDGAFQWSA-N 2 2 241.379 0.737 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246973198 359178799 /nfs/dbraw/zinc/17/87/99/359178799.db2.gz GUXVJMUNMDZMRU-NWDGAFQWSA-N 2 2 239.363 0.811 20 0 BCADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246973198 359178802 /nfs/dbraw/zinc/17/88/02/359178802.db2.gz GUXVJMUNMDZMRU-NWDGAFQWSA-N 2 2 239.363 0.811 20 0 BCADLP NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246522746 359143514 /nfs/dbraw/zinc/14/35/14/359143514.db2.gz IWKRNLBKSBHNAT-CMPLNLGQSA-N 2 2 237.347 0.420 20 0 BCADLP NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246522746 359143519 /nfs/dbraw/zinc/14/35/19/359143519.db2.gz IWKRNLBKSBHNAT-CMPLNLGQSA-N 2 2 237.347 0.420 20 0 BCADLP NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246522746 359143521 /nfs/dbraw/zinc/14/35/21/359143521.db2.gz IWKRNLBKSBHNAT-CMPLNLGQSA-N 2 2 237.347 0.420 20 0 BCADLP C[C@H]1CC[N@H+](CCO)C[C@H]1n1cc[nH+]c1 ZINC000247562396 359233684 /nfs/dbraw/zinc/23/36/84/359233684.db2.gz KYCPOJGWDCWHAN-WDEREUQCSA-N 2 2 209.293 0.758 20 0 BCADLP C[C@H]1CC[N@@H+](CCO)C[C@H]1n1cc[nH+]c1 ZINC000247562396 359233688 /nfs/dbraw/zinc/23/36/88/359233688.db2.gz KYCPOJGWDCWHAN-WDEREUQCSA-N 2 2 209.293 0.758 20 0 BCADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000580431307 359543065 /nfs/dbraw/zinc/54/30/65/359543065.db2.gz ITYNYLMWEJBFJX-GHMZBOCLSA-N 3 2 213.369 0.949 20 0 BCADLP CCC[NH2+][C@@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000580428890 359546970 /nfs/dbraw/zinc/54/69/70/359546970.db2.gz DVWJYLSNVOVFFO-JTQLQIEISA-N 2 2 224.308 0.387 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]CCc2cn[nH]c2)n1C ZINC000379585193 359561152 /nfs/dbraw/zinc/56/11/52/359561152.db2.gz XSAYRIKLLSRYSE-UHFFFAOYSA-N 2 2 248.334 0.542 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000379663299 359576226 /nfs/dbraw/zinc/57/62/26/359576226.db2.gz SLUJQTUAWCSIST-DCAQKATOSA-N 2 2 200.326 0.951 20 0 BCADLP C[NH2+]Cc1noc(C[C@H]([NH3+])Cc2ccccc2)n1 ZINC000578505675 366581368 /nfs/dbraw/zinc/58/13/68/366581368.db2.gz AQTJMVSAENLZJX-LLVKDONJSA-N 2 2 246.314 0.902 20 0 BCADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)C(C)(C)C(N)=O ZINC000451138559 202362370 /nfs/dbraw/zinc/36/23/70/202362370.db2.gz ZXQCZDMSNGWYHX-JTQLQIEISA-N 2 2 227.352 0.666 20 0 BCADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C(C)(C)C(N)=O ZINC000451138559 202362373 /nfs/dbraw/zinc/36/23/73/202362373.db2.gz ZXQCZDMSNGWYHX-JTQLQIEISA-N 2 2 227.352 0.666 20 0 BCADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C(C)(C)C(N)=O ZINC000451138559 202362377 /nfs/dbraw/zinc/36/23/77/202362377.db2.gz ZXQCZDMSNGWYHX-JTQLQIEISA-N 2 2 227.352 0.666 20 0 BCADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)C(C)(C)C(N)=O ZINC000451138559 202362379 /nfs/dbraw/zinc/36/23/79/202362379.db2.gz ZXQCZDMSNGWYHX-JTQLQIEISA-N 2 2 227.352 0.666 20 0 BCADLP CCC[C@@H](C(=O)OCC)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000096593478 360350389 /nfs/dbraw/zinc/35/03/89/360350389.db2.gz HNUSUMIGNKVGOA-TUAOUCFPSA-N 2 2 240.347 0.869 20 0 BCADLP CCC[C@@H](C(=O)OCC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000096593478 360350395 /nfs/dbraw/zinc/35/03/95/360350395.db2.gz HNUSUMIGNKVGOA-TUAOUCFPSA-N 2 2 240.347 0.869 20 0 BCADLP C[NH+](C)C1(C[NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000631160662 360543631 /nfs/dbraw/zinc/54/36/31/360543631.db2.gz UEFHFIYUNDTFIL-UHFFFAOYSA-N 2 2 221.304 0.971 20 0 BCADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](CO)C2)C[N@@H+]1C1CC1 ZINC000631199296 360764750 /nfs/dbraw/zinc/76/47/50/360764750.db2.gz RGRYAMOYZRPHGJ-NNYUYHANSA-N 2 2 224.348 0.972 20 0 BCADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](CO)C2)C[N@H+]1C1CC1 ZINC000631199296 360764753 /nfs/dbraw/zinc/76/47/53/360764753.db2.gz RGRYAMOYZRPHGJ-NNYUYHANSA-N 2 2 224.348 0.972 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cnc2cnccn12 ZINC000629389403 361036219 /nfs/dbraw/zinc/03/62/19/361036219.db2.gz XJMBWGODBUMENU-NWDGAFQWSA-N 2 2 245.330 0.959 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629399829 361050942 /nfs/dbraw/zinc/05/09/42/361050942.db2.gz CNXYSJFTBMWVBZ-AAEUAGOBSA-N 3 2 241.379 0.424 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629399829 361050946 /nfs/dbraw/zinc/05/09/46/361050946.db2.gz CNXYSJFTBMWVBZ-AAEUAGOBSA-N 3 2 241.379 0.424 20 0 BCADLP Cc1n[nH]c(C)c1C[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629405793 361053537 /nfs/dbraw/zinc/05/35/37/361053537.db2.gz GIELPMAELCUTHZ-GXSJLCMTSA-N 2 2 208.309 0.867 20 0 BCADLP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629406231 361053556 /nfs/dbraw/zinc/05/35/56/361053556.db2.gz KUVBVJZQAKMATP-JOYOIKCWSA-N 2 2 222.336 0.877 20 0 BCADLP NC(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000629409179 361058686 /nfs/dbraw/zinc/05/86/86/361058686.db2.gz AKEKALNOKJZEKL-LLVKDONJSA-N 2 2 219.288 0.237 20 0 BCADLP C[C@H]1CC[C@H]([NH2+]Cc2cnc3cnccn23)C[NH2+]1 ZINC000629410009 361059651 /nfs/dbraw/zinc/05/96/51/361059651.db2.gz CUONQBSLZKZONG-QWRGUYRKSA-N 2 2 245.330 0.959 20 0 BCADLP COc1cncc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000629521572 361117913 /nfs/dbraw/zinc/11/79/13/361117913.db2.gz VHKVFIKDVODSNY-VHSXEESVSA-N 2 2 236.319 0.654 20 0 BCADLP COc1cncc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000629521572 361117915 /nfs/dbraw/zinc/11/79/15/361117915.db2.gz VHKVFIKDVODSNY-VHSXEESVSA-N 2 2 236.319 0.654 20 0 BCADLP COc1cncc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000629521569 361117993 /nfs/dbraw/zinc/11/79/93/361117993.db2.gz VHKVFIKDVODSNY-NXEZZACHSA-N 2 2 236.319 0.654 20 0 BCADLP COc1cncc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000629521569 361117997 /nfs/dbraw/zinc/11/79/97/361117997.db2.gz VHKVFIKDVODSNY-NXEZZACHSA-N 2 2 236.319 0.654 20 0 BCADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629518881 361118900 /nfs/dbraw/zinc/11/89/00/361118900.db2.gz CHKJVYFHORXAQR-NWDGAFQWSA-N 3 2 241.379 0.601 20 0 BCADLP CCO[C@H](C[N@@H+]1CCO[C@@H](C[NH3+])C1)C1CC1 ZINC000629518820 361119204 /nfs/dbraw/zinc/11/92/04/361119204.db2.gz PPWABXIUUBDUDE-NWDGAFQWSA-N 2 2 228.336 0.461 20 0 BCADLP CCO[C@H](C[N@H+]1CCO[C@@H](C[NH3+])C1)C1CC1 ZINC000629518820 361119206 /nfs/dbraw/zinc/11/92/06/361119206.db2.gz PPWABXIUUBDUDE-NWDGAFQWSA-N 2 2 228.336 0.461 20 0 BCADLP COc1cncc(C[N@@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000629511685 361105681 /nfs/dbraw/zinc/10/56/81/361105681.db2.gz MJTBHNMIEHTPMO-VIFPVBQESA-N 2 2 222.292 0.266 20 0 BCADLP COc1cncc(C[N@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000629511685 361105686 /nfs/dbraw/zinc/10/56/86/361105686.db2.gz MJTBHNMIEHTPMO-VIFPVBQESA-N 2 2 222.292 0.266 20 0 BCADLP CC(C)(C)CNC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000629511658 361105862 /nfs/dbraw/zinc/10/58/62/361105862.db2.gz LZLCETHYGLGVAL-SNVBAGLBSA-N 2 2 227.352 0.429 20 0 BCADLP CC(C)(C)CNC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000629511658 361105863 /nfs/dbraw/zinc/10/58/63/361105863.db2.gz LZLCETHYGLGVAL-SNVBAGLBSA-N 2 2 227.352 0.429 20 0 BCADLP COc1cncc(C[N@H+](C)C2CC[NH2+]CC2)n1 ZINC000629511186 361109544 /nfs/dbraw/zinc/10/95/44/361109544.db2.gz XBLMWEGOEBELPA-UHFFFAOYSA-N 2 2 236.319 0.669 20 0 BCADLP COc1cncc(C[N@@H+](C)C2CC[NH2+]CC2)n1 ZINC000629511186 361109553 /nfs/dbraw/zinc/10/95/53/361109553.db2.gz XBLMWEGOEBELPA-UHFFFAOYSA-N 2 2 236.319 0.669 20 0 BCADLP [NH3+]C1(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000353633479 181324732 /nfs/dbraw/zinc/32/47/32/181324732.db2.gz HBQNBOLLAQPCFW-VIFPVBQESA-N 2 2 234.303 0.607 20 0 BCADLP [NH3+]C1(C(=O)NCCCNc2cccc[nH+]2)CCC1 ZINC000296204841 181325793 /nfs/dbraw/zinc/32/57/93/181325793.db2.gz ZILLPBOWUALRGA-UHFFFAOYSA-N 2 2 248.330 0.881 20 0 BCADLP [NH3+]C1(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000262709591 181326143 /nfs/dbraw/zinc/32/61/43/181326143.db2.gz OYCVGYYSZAWMHM-UHFFFAOYSA-N 2 2 234.303 0.491 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1CCCOC1 ZINC000159080629 361219861 /nfs/dbraw/zinc/21/98/61/361219861.db2.gz JINOUDXBCAVLMM-QWRGUYRKSA-N 2 2 200.326 0.953 20 0 BCADLP COCC[N@@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000159320734 361230214 /nfs/dbraw/zinc/23/02/14/361230214.db2.gz PWCHZPWUDKJGNK-ZJUUUORDSA-N 2 2 202.298 0.071 20 0 BCADLP COCC[N@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000159320734 361230216 /nfs/dbraw/zinc/23/02/16/361230216.db2.gz PWCHZPWUDKJGNK-ZJUUUORDSA-N 2 2 202.298 0.071 20 0 BCADLP CC(=O)N1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000622044656 370676844 /nfs/dbraw/zinc/67/68/44/370676844.db2.gz OMQUOWISQDEEJJ-MVWJERBFSA-N 2 2 225.336 0.195 20 0 BCADLP C[C@H]([NH3+])CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000622044482 370677136 /nfs/dbraw/zinc/67/71/36/370677136.db2.gz HPPGHLYDAIBBNI-ZMLRMANQSA-N 3 2 227.352 0.080 20 0 BCADLP CC(=O)N1CC[C@@H]([NH2+][C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000622044881 370678189 /nfs/dbraw/zinc/67/81/89/370678189.db2.gz WQFPARHRXBAWBH-RAIGVLPGSA-N 2 2 239.363 0.727 20 0 BCADLP COC1(C[NH2+]CCn2cc[nH+]c2)CCOCC1 ZINC000428864216 201044808 /nfs/dbraw/zinc/04/48/08/201044808.db2.gz CCSYMOVTNAALNT-UHFFFAOYSA-N 2 2 239.319 0.668 20 0 BCADLP C[C@H]1C[C@@H](O)CC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000429134345 201071135 /nfs/dbraw/zinc/07/11/35/201071135.db2.gz KOCIRJWAWFTRTL-WCFLWFBJSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@H]1C[C@@H](O)CC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000429134345 201071138 /nfs/dbraw/zinc/07/11/38/201071138.db2.gz KOCIRJWAWFTRTL-WCFLWFBJSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@H]1C[C@@H](O)CC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000429134345 201071139 /nfs/dbraw/zinc/07/11/39/201071139.db2.gz KOCIRJWAWFTRTL-WCFLWFBJSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@H]1C[C@@H](O)CC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000429134345 201071142 /nfs/dbraw/zinc/07/11/42/201071142.db2.gz KOCIRJWAWFTRTL-WCFLWFBJSA-N 2 2 242.363 0.287 20 0 BCADLP [NH3+]C1(C[NH2+][C@H]2CCN(C3CC3)C2=O)CCC1 ZINC000342113822 181331681 /nfs/dbraw/zinc/33/16/81/181331681.db2.gz ALHCQSJGSXXEPQ-JTQLQIEISA-N 2 2 223.320 0.221 20 0 BCADLP [NH3+]C1(C[NH2+]CC(=O)NCC2CCC2)CCC1 ZINC000342160085 181331365 /nfs/dbraw/zinc/33/13/65/181331365.db2.gz LIRWMYKCNCAQAE-UHFFFAOYSA-N 2 2 225.336 0.374 20 0 BCADLP CC[NH2+][C@H](C)CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000579343348 366763486 /nfs/dbraw/zinc/76/34/86/366763486.db2.gz QJKWWGIZJMOYDS-APPZFPTMSA-N 2 2 242.348 0.257 20 0 BCADLP C/C=C\C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000629540544 361413746 /nfs/dbraw/zinc/41/37/46/361413746.db2.gz VIMXICWDHHHICE-JDEDCZITSA-N 2 2 210.321 0.919 20 0 BCADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C[NH2+]1 ZINC000629535661 361409829 /nfs/dbraw/zinc/40/98/29/361409829.db2.gz CSIMLFJHGOOOIN-WISYIIOYSA-N 3 2 211.353 0.844 20 0 BCADLP [NH3+]CC1CCC([NH2+]CC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000629556134 361448545 /nfs/dbraw/zinc/44/85/45/361448545.db2.gz KSCQLGYZKVSXEJ-BPCQOVAHSA-N 3 2 241.379 0.160 20 0 BCADLP [NH3+]CC1CCC([NH2+]CC[N@H+]2CC[C@H](O)C2)CC1 ZINC000629556134 361448552 /nfs/dbraw/zinc/44/85/52/361448552.db2.gz KSCQLGYZKVSXEJ-BPCQOVAHSA-N 3 2 241.379 0.160 20 0 BCADLP [NH3+][C@@H]1CCCCC[C@@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000629555709 361448556 /nfs/dbraw/zinc/44/85/56/361448556.db2.gz BECVGFBLDWRCDW-XQQFMLRXSA-N 2 2 241.379 0.303 20 0 BCADLP [NH3+][C@@H]1CCCCC[C@@H]1NCC[N@H+]1CC[C@H](O)C1 ZINC000629555709 361448557 /nfs/dbraw/zinc/44/85/57/361448557.db2.gz BECVGFBLDWRCDW-XQQFMLRXSA-N 2 2 241.379 0.303 20 0 BCADLP Cc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)nn1C ZINC000309909135 491158054 /nfs/dbraw/zinc/15/80/54/491158054.db2.gz LOFHAZTYMCBINK-GHMZBOCLSA-N 2 2 220.320 0.380 20 0 BCADLP Cn1cc[nH+]c1[C@H](N[C@@H]1CC[NH2+]C1)C1CC1 ZINC000629553372 361439186 /nfs/dbraw/zinc/43/91/86/361439186.db2.gz OACGAMVXUWFRCW-GHMZBOCLSA-N 2 2 220.320 0.823 20 0 BCADLP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C2)c2[nH+]ccn21 ZINC000629553572 361439195 /nfs/dbraw/zinc/43/91/95/361439195.db2.gz AECISWNCDHWWJX-OPRDCNLKSA-N 2 2 206.293 0.840 20 0 BCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000629550075 361443266 /nfs/dbraw/zinc/44/32/66/361443266.db2.gz XOGRVSFPAKGKJJ-KOLCDFICSA-N 2 2 237.351 0.918 20 0 BCADLP CCn1nnc(C)c1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000629550075 361443268 /nfs/dbraw/zinc/44/32/68/361443268.db2.gz XOGRVSFPAKGKJJ-KOLCDFICSA-N 2 2 237.351 0.918 20 0 BCADLP CC[N@H+](CC[NH3+])CCOC[C@@H]1CCCO1 ZINC000629556728 361444723 /nfs/dbraw/zinc/44/47/23/361444723.db2.gz PTSYLRITODZTIZ-NSHDSACASA-N 2 2 216.325 0.463 20 0 BCADLP CC[N@@H+](CC[NH3+])CCOC[C@@H]1CCCO1 ZINC000629556728 361444725 /nfs/dbraw/zinc/44/47/25/361444725.db2.gz PTSYLRITODZTIZ-NSHDSACASA-N 2 2 216.325 0.463 20 0 BCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629542527 361419798 /nfs/dbraw/zinc/41/97/98/361419798.db2.gz FKNUEPVADUJOBZ-DCAQKATOSA-N 2 2 248.392 0.540 20 0 BCADLP C[NH2+]CCOCC[N@H+](C)Cc1ncc(C)o1 ZINC000629570120 361459428 /nfs/dbraw/zinc/45/94/28/361459428.db2.gz IHDYUDZGOHFHTD-UHFFFAOYSA-N 2 2 227.308 0.651 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)Cc1ncc(C)o1 ZINC000629570120 361459432 /nfs/dbraw/zinc/45/94/32/361459432.db2.gz IHDYUDZGOHFHTD-UHFFFAOYSA-N 2 2 227.308 0.651 20 0 BCADLP C[NH2+]CCOCC[N@H+](C)Cc1nc(C)c(C)o1 ZINC000629570444 361460872 /nfs/dbraw/zinc/46/08/72/361460872.db2.gz KHKJENFOBTYVLD-UHFFFAOYSA-N 2 2 241.335 0.959 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)Cc1nc(C)c(C)o1 ZINC000629570444 361460876 /nfs/dbraw/zinc/46/08/76/361460876.db2.gz KHKJENFOBTYVLD-UHFFFAOYSA-N 2 2 241.335 0.959 20 0 BCADLP CCOC[C@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000629574814 361462739 /nfs/dbraw/zinc/46/27/39/361462739.db2.gz KZAZYWVZAZQVPJ-VXGBXAGGSA-N 2 2 228.336 0.333 20 0 BCADLP CCOC[C@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000629574814 361462746 /nfs/dbraw/zinc/46/27/46/361462746.db2.gz KZAZYWVZAZQVPJ-VXGBXAGGSA-N 2 2 228.336 0.333 20 0 BCADLP Cc1cncc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000629575511 361463197 /nfs/dbraw/zinc/46/31/97/361463197.db2.gz PPZSNCHVYMRQCX-AWEZNQCLSA-N 2 2 249.358 0.936 20 0 BCADLP C[NH2+]CCOCC[N@H+](C)[C@H](C)c1nnc(C)[nH]1 ZINC000629572165 361463940 /nfs/dbraw/zinc/46/39/40/361463940.db2.gz ODMBOZGBMWJJMM-SECBINFHSA-N 2 2 241.339 0.342 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1nnc(C)[nH]1 ZINC000629572165 361463941 /nfs/dbraw/zinc/46/39/41/361463941.db2.gz ODMBOZGBMWJJMM-SECBINFHSA-N 2 2 241.339 0.342 20 0 BCADLP FCC[C@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000629580751 361469300 /nfs/dbraw/zinc/46/93/00/361469300.db2.gz GNTFPRPWQIXEIR-MNOVXSKESA-N 2 2 216.300 0.656 20 0 BCADLP FCC[C@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000629580751 361469308 /nfs/dbraw/zinc/46/93/08/361469308.db2.gz GNTFPRPWQIXEIR-MNOVXSKESA-N 2 2 216.300 0.656 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000430947343 201160201 /nfs/dbraw/zinc/16/02/01/201160201.db2.gz DIEQDKKLRJFHNZ-LBPRGKRZSA-N 2 2 239.363 0.444 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000430947343 201160205 /nfs/dbraw/zinc/16/02/05/201160205.db2.gz DIEQDKKLRJFHNZ-LBPRGKRZSA-N 2 2 239.363 0.444 20 0 BCADLP Cc1ncccc1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000629598561 361489092 /nfs/dbraw/zinc/48/90/92/361489092.db2.gz NFSNCAAAYYMZBT-CQSZACIVSA-N 2 2 249.358 0.935 20 0 BCADLP Cc1ncccc1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000629598561 361489097 /nfs/dbraw/zinc/48/90/97/361489097.db2.gz NFSNCAAAYYMZBT-CQSZACIVSA-N 2 2 249.358 0.935 20 0 BCADLP CCN(C)C(=O)CC[N@H+](CC)CC[NH3+] ZINC000629557694 361452247 /nfs/dbraw/zinc/45/22/47/361452247.db2.gz CXFVCBKWIWEQKO-UHFFFAOYSA-N 2 2 201.314 0.135 20 0 BCADLP CCN(C)C(=O)CC[N@@H+](CC)CC[NH3+] ZINC000629557694 361452251 /nfs/dbraw/zinc/45/22/51/361452251.db2.gz CXFVCBKWIWEQKO-UHFFFAOYSA-N 2 2 201.314 0.135 20 0 BCADLP CC[N@H+](CC[NH3+])CCn1c(C)csc1=O ZINC000629557400 361454930 /nfs/dbraw/zinc/45/49/30/361454930.db2.gz LBKKEWYPCIKHFA-UHFFFAOYSA-N 2 2 229.349 0.499 20 0 BCADLP CC[N@@H+](CC[NH3+])CCn1c(C)csc1=O ZINC000629557400 361454935 /nfs/dbraw/zinc/45/49/35/361454935.db2.gz LBKKEWYPCIKHFA-UHFFFAOYSA-N 2 2 229.349 0.499 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N(C)CC2CC2)C1 ZINC000430947486 201158513 /nfs/dbraw/zinc/15/85/13/201158513.db2.gz BGTNQNGXJQMWES-LBPRGKRZSA-N 2 2 239.363 0.396 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N(C)CC2CC2)C1 ZINC000430947486 201158514 /nfs/dbraw/zinc/15/85/14/201158514.db2.gz BGTNQNGXJQMWES-LBPRGKRZSA-N 2 2 239.363 0.396 20 0 BCADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]CC2(F)CC2)n1 ZINC000629654467 361558221 /nfs/dbraw/zinc/55/82/21/361558221.db2.gz XSNRIAOZJCKZIM-UHFFFAOYSA-N 2 2 226.255 0.233 20 0 BCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C1([NH+](C)C)CC1 ZINC000613227572 361541270 /nfs/dbraw/zinc/54/12/70/361541270.db2.gz TUYANXMKNCZRSO-WDEREUQCSA-N 2 2 239.363 0.632 20 0 BCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C1([NH+](C)C)CC1 ZINC000613227572 361541275 /nfs/dbraw/zinc/54/12/75/361541275.db2.gz TUYANXMKNCZRSO-WDEREUQCSA-N 2 2 239.363 0.632 20 0 BCADLP COCc1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])o1 ZINC000629648863 361541861 /nfs/dbraw/zinc/54/18/61/361541861.db2.gz ZIDPZWSJZQSNAQ-VIFPVBQESA-N 2 2 228.292 0.177 20 0 BCADLP COCc1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])o1 ZINC000629648863 361541866 /nfs/dbraw/zinc/54/18/66/361541866.db2.gz ZIDPZWSJZQSNAQ-VIFPVBQESA-N 2 2 228.292 0.177 20 0 BCADLP Cc1cnccc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000629649583 361544640 /nfs/dbraw/zinc/54/46/40/361544640.db2.gz WIMUOFMHOPRBEU-CYBMUJFWSA-N 2 2 235.331 0.858 20 0 BCADLP C[C@@]1(C[NH2+]CC2([NH3+])CCOCC2)CC[NH2+]C1 ZINC000629653518 361552736 /nfs/dbraw/zinc/55/27/36/361552736.db2.gz IQCUILBIUJMNAS-LLVKDONJSA-N 3 2 227.352 0.084 20 0 BCADLP C[NH2+]CCOCC[N@H+](C)Cc1cocn1 ZINC000629653767 361554510 /nfs/dbraw/zinc/55/45/10/361554510.db2.gz NFIRAMZPMVPWKJ-UHFFFAOYSA-N 2 2 213.281 0.342 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)Cc1cocn1 ZINC000629653767 361554517 /nfs/dbraw/zinc/55/45/17/361554517.db2.gz NFIRAMZPMVPWKJ-UHFFFAOYSA-N 2 2 213.281 0.342 20 0 BCADLP CCn1ccnc1C[N@H+](C)CCOCC[NH3+] ZINC000629662344 361594818 /nfs/dbraw/zinc/59/48/18/361594818.db2.gz HKVCHQPXKWCXHS-UHFFFAOYSA-N 2 2 226.324 0.310 20 0 BCADLP CCn1ccnc1C[N@@H+](C)CCOCC[NH3+] ZINC000629662344 361594824 /nfs/dbraw/zinc/59/48/24/361594824.db2.gz HKVCHQPXKWCXHS-UHFFFAOYSA-N 2 2 226.324 0.310 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)CCOCC[NH3+] ZINC000629664022 361595531 /nfs/dbraw/zinc/59/55/31/361595531.db2.gz JDVUHJNVIZBVRT-LLVKDONJSA-N 3 2 217.357 0.267 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)CCOCC[NH3+] ZINC000629664022 361595532 /nfs/dbraw/zinc/59/55/32/361595532.db2.gz JDVUHJNVIZBVRT-LLVKDONJSA-N 3 2 217.357 0.267 20 0 BCADLP O=C1[C@H]([NH2+][C@@H]2CCC[NH2+]C2)CCN1C1CCC1 ZINC000629673875 361596459 /nfs/dbraw/zinc/59/64/59/361596459.db2.gz LTTGZVWPTPZLNX-ZYHUDNBSSA-N 2 2 237.347 0.481 20 0 BCADLP COC[C@@]1(C)C[N@H+](C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000629673647 361596468 /nfs/dbraw/zinc/59/64/68/361596468.db2.gz AGJFNWSUXRAOFB-CHWSQXEVSA-N 2 2 242.363 0.723 20 0 BCADLP COC[C@@]1(C)C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000629673647 361596471 /nfs/dbraw/zinc/59/64/71/361596471.db2.gz AGJFNWSUXRAOFB-CHWSQXEVSA-N 2 2 242.363 0.723 20 0 BCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC1(C[NH3+])CC1)C2 ZINC000629668172 361588762 /nfs/dbraw/zinc/58/87/62/361588762.db2.gz RUNHBJJNHBOASW-TXEJJXNPSA-N 3 2 223.364 0.657 20 0 BCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC1(C[NH3+])CC1)C2 ZINC000629668172 361588768 /nfs/dbraw/zinc/58/87/68/361588768.db2.gz RUNHBJJNHBOASW-TXEJJXNPSA-N 3 2 223.364 0.657 20 0 BCADLP C[C@@]1(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC[NH2+]C1 ZINC000629670272 361589921 /nfs/dbraw/zinc/58/99/21/361589921.db2.gz ZUUXUFZWKRVONX-MCIONIFRSA-N 3 2 237.391 0.917 20 0 BCADLP C[C@@]1(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC[NH2+]C1 ZINC000629670272 361589926 /nfs/dbraw/zinc/58/99/26/361589926.db2.gz ZUUXUFZWKRVONX-MCIONIFRSA-N 3 2 237.391 0.917 20 0 BCADLP CNC(=O)CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000435005735 201246715 /nfs/dbraw/zinc/24/67/15/201246715.db2.gz QGDHVZBLSGHUME-UHFFFAOYSA-N 2 2 236.319 0.725 20 0 BCADLP CC[C@](C)(O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000435905408 201298972 /nfs/dbraw/zinc/29/89/72/201298972.db2.gz FGWOIDSHYYXDDM-ZDUSSCGKSA-N 2 2 244.379 0.536 20 0 BCADLP CC[C@](C)(O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000435905408 201298975 /nfs/dbraw/zinc/29/89/75/201298975.db2.gz FGWOIDSHYYXDDM-ZDUSSCGKSA-N 2 2 244.379 0.536 20 0 BCADLP CCC[N@H+](CCC[NH2+]C)[C@@H]1CCS(=O)(=O)C1 ZINC000435882841 201295213 /nfs/dbraw/zinc/29/52/13/201295213.db2.gz HCBLKRCVNWTLFV-LLVKDONJSA-N 2 2 248.392 0.495 20 0 BCADLP CCC[N@@H+](CCC[NH2+]C)[C@@H]1CCS(=O)(=O)C1 ZINC000435882841 201295216 /nfs/dbraw/zinc/29/52/16/201295216.db2.gz HCBLKRCVNWTLFV-LLVKDONJSA-N 2 2 248.392 0.495 20 0 BCADLP [NH3+]CC1(C(=O)NCCn2cc[nH+]c2)CCCC1 ZINC000044763514 181359176 /nfs/dbraw/zinc/35/91/76/181359176.db2.gz NIVSAXNTKQAZOD-UHFFFAOYSA-N 2 2 236.319 0.518 20 0 BCADLP [NH3+]CC1(NC(=O)CCn2cc[nH+]c2)CCCC1 ZINC000111831788 181359972 /nfs/dbraw/zinc/35/99/72/181359972.db2.gz PTSQTRINOLXBDH-UHFFFAOYSA-N 2 2 236.319 0.661 20 0 BCADLP c1cn(Cc2cn(CC[NH+]3CCCC3)nn2)c[nH+]1 ZINC000630618296 364354035 /nfs/dbraw/zinc/35/40/35/364354035.db2.gz UMPJLUIFKXWDHC-UHFFFAOYSA-N 2 2 246.318 0.619 20 0 BCADLP Cc1nn(C)cc1C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000398968355 364377618 /nfs/dbraw/zinc/37/76/18/364377618.db2.gz SYVZAKINLBQSGX-JOYOIKCWSA-N 2 2 222.336 0.959 20 0 BCADLP C[C@H]1CC[C@@H](NCc2c[nH+]cn2C)C[NH2+]1 ZINC000399013907 364722842 /nfs/dbraw/zinc/72/28/42/364722842.db2.gz BLXMOTLNRKCOFR-VHSXEESVSA-N 2 2 208.309 0.650 20 0 BCADLP C[C@H](C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C)CS(C)(=O)=O ZINC000573383337 364818830 /nfs/dbraw/zinc/81/88/30/364818830.db2.gz QZLDORVCLRHKBG-OUAUKWLOSA-N 2 2 248.392 0.479 20 0 BCADLP C[C@H](C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C)CS(C)(=O)=O ZINC000573383337 364818835 /nfs/dbraw/zinc/81/88/35/364818835.db2.gz QZLDORVCLRHKBG-OUAUKWLOSA-N 2 2 248.392 0.479 20 0 BCADLP C[N@@H+]1CCN(C(=O)NCC2CCC2)[C@@H](C[NH3+])C1 ZINC000573465345 364841248 /nfs/dbraw/zinc/84/12/48/364841248.db2.gz YMGLTUWCJXOFNQ-NSHDSACASA-N 2 2 240.351 0.071 20 0 BCADLP C[N@H+]1CCN(C(=O)NCC2CCC2)[C@@H](C[NH3+])C1 ZINC000573465345 364841256 /nfs/dbraw/zinc/84/12/56/364841256.db2.gz YMGLTUWCJXOFNQ-NSHDSACASA-N 2 2 240.351 0.071 20 0 BCADLP C[N@@H+]1CCN(C(=O)NCC2CCC2)[C@H](C[NH3+])C1 ZINC000573465344 364841622 /nfs/dbraw/zinc/84/16/22/364841622.db2.gz YMGLTUWCJXOFNQ-LLVKDONJSA-N 2 2 240.351 0.071 20 0 BCADLP C[N@H+]1CCN(C(=O)NCC2CCC2)[C@H](C[NH3+])C1 ZINC000573465344 364841625 /nfs/dbraw/zinc/84/16/25/364841625.db2.gz YMGLTUWCJXOFNQ-LLVKDONJSA-N 2 2 240.351 0.071 20 0 BCADLP [NH3+]Cc1noc([C@H]2Cc3ccccc3C[NH2+]2)n1 ZINC000573487300 364845523 /nfs/dbraw/zinc/84/55/23/364845523.db2.gz DPYYSHQOOXZTBJ-SNVBAGLBSA-N 2 2 230.271 0.915 20 0 BCADLP C[NH2+]CCCN(C)C(=O)[C@H]([NH3+])c1cscn1 ZINC000573487538 364845781 /nfs/dbraw/zinc/84/57/81/364845781.db2.gz HEXUPWXPWBXWAS-SECBINFHSA-N 2 2 242.348 0.211 20 0 BCADLP C[NH2+][C@H](C)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000573696888 364896113 /nfs/dbraw/zinc/89/61/13/364896113.db2.gz MHXOTTZHSSPWGH-SECBINFHSA-N 3 2 245.286 0.814 20 0 BCADLP O=C(NCC[NH+]1CCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000574455777 365066327 /nfs/dbraw/zinc/06/63/27/365066327.db2.gz IFQXPSIFKHDMOV-LLVKDONJSA-N 2 2 248.330 0.267 20 0 BCADLP C(C[NH+]1CCOCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000574330376 365038805 /nfs/dbraw/zinc/03/88/05/365038805.db2.gz SUFUMBGDUCMYRI-BETUJISGSA-N 2 2 239.363 0.145 20 0 BCADLP C[C@@H](CC(=O)NCC(C)(C)[NH3+])n1cc[nH+]c1 ZINC000574580657 365095485 /nfs/dbraw/zinc/09/54/85/365095485.db2.gz GQWLFIIFLLPRAF-VIFPVBQESA-N 2 2 224.308 0.688 20 0 BCADLP C[C@H](O)[C@H](C)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000574877649 365166794 /nfs/dbraw/zinc/16/67/94/365166794.db2.gz KYOCXUCBTZCLNN-SDDRHHMPSA-N 2 2 230.352 0.192 20 0 BCADLP C[C@H](O)[C@H](C)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000574877649 365166799 /nfs/dbraw/zinc/16/67/99/365166799.db2.gz KYOCXUCBTZCLNN-SDDRHHMPSA-N 2 2 230.352 0.192 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444176730 193039847 /nfs/dbraw/zinc/03/98/47/193039847.db2.gz QTLLGBIWCIYFPX-MDZLAQPJSA-N 2 2 248.330 0.387 20 0 BCADLP C[C@@H](CC(=O)NCC1([NH3+])CCC1)n1cc[nH+]c1 ZINC000575325546 365290656 /nfs/dbraw/zinc/29/06/56/365290656.db2.gz MTUIRZIBVCBZBJ-JTQLQIEISA-N 2 2 236.319 0.832 20 0 BCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000575847594 365381838 /nfs/dbraw/zinc/38/18/38/365381838.db2.gz LJPUOIYWUGLPAL-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000575847594 365381844 /nfs/dbraw/zinc/38/18/44/365381844.db2.gz LJPUOIYWUGLPAL-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000576046040 365462146 /nfs/dbraw/zinc/46/21/46/365462146.db2.gz AZUQGRRLJVKOAT-GFCCVEGCSA-N 2 2 248.330 0.436 20 0 BCADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1C[NH+]2CCC1CC2 ZINC000576046041 365462428 /nfs/dbraw/zinc/46/24/28/365462428.db2.gz AZUQGRRLJVKOAT-LBPRGKRZSA-N 2 2 248.330 0.436 20 0 BCADLP Cc1cccc2[nH+]c(Cn3nnnc3C[NH3+])cn21 ZINC000576105189 365487425 /nfs/dbraw/zinc/48/74/25/365487425.db2.gz OLHVLCYYDQMBBH-UHFFFAOYSA-N 2 2 243.274 0.136 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000579610493 366906950 /nfs/dbraw/zinc/90/69/50/366906950.db2.gz CGEADDUGKVLSKV-JTQLQIEISA-N 2 2 236.319 0.675 20 0 BCADLP CO[C@H](C[NH3+])C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000579705624 366985768 /nfs/dbraw/zinc/98/57/68/366985768.db2.gz OCJMVKNNSPWFBS-SECBINFHSA-N 2 2 234.259 0.247 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CC[C@@H]([NH2+]C)C1 ZINC000579713020 366989034 /nfs/dbraw/zinc/98/90/34/366989034.db2.gz VVHXLTRTVDQDOD-SNVBAGLBSA-N 2 2 213.325 0.149 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CC[C@@H]([NH2+]C)C1 ZINC000579713020 366989036 /nfs/dbraw/zinc/98/90/36/366989036.db2.gz VVHXLTRTVDQDOD-SNVBAGLBSA-N 2 2 213.325 0.149 20 0 BCADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000580762695 367066130 /nfs/dbraw/zinc/06/61/30/367066130.db2.gz AABJTQJDGZLEBZ-GXSJLCMTSA-N 2 2 240.351 0.069 20 0 BCADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000580762695 367066137 /nfs/dbraw/zinc/06/61/37/367066137.db2.gz AABJTQJDGZLEBZ-GXSJLCMTSA-N 2 2 240.351 0.069 20 0 BCADLP CC1(C)CN(c2nc[nH+]c(N)c2Cl)CC[NH2+]1 ZINC000580704755 367147050 /nfs/dbraw/zinc/14/70/50/367147050.db2.gz HYCBYVYAXXYVJV-UHFFFAOYSA-N 2 2 241.726 0.900 20 0 BCADLP CSC[C@@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000580948262 367212959 /nfs/dbraw/zinc/21/29/59/367212959.db2.gz NTDQZKIPSLNRCY-BDAKNGLRSA-N 2 2 241.360 0.581 20 0 BCADLP CSC[C@@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000580948262 367212962 /nfs/dbraw/zinc/21/29/62/367212962.db2.gz NTDQZKIPSLNRCY-BDAKNGLRSA-N 2 2 241.360 0.581 20 0 BCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C[NH3+] ZINC000581251925 367309084 /nfs/dbraw/zinc/30/90/84/367309084.db2.gz FRWCZPKNMVANJL-UHFFFAOYSA-N 2 2 222.292 0.137 20 0 BCADLP C[C@H](C(=O)N1CC[NH+](C)CC1)[NH+]1CC(C)C1 ZINC000565313252 325893074 /nfs/dbraw/zinc/89/30/74/325893074.db2.gz OZIYOSQZPSPYFF-LLVKDONJSA-N 2 2 225.336 0.101 20 0 BCADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)S(C)(=O)=O ZINC000381531716 367425769 /nfs/dbraw/zinc/42/57/69/367425769.db2.gz ZJTWUDYUPLZZHN-MXWKQRLJSA-N 2 2 248.392 0.492 20 0 BCADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)S(C)(=O)=O ZINC000381531716 367425773 /nfs/dbraw/zinc/42/57/73/367425773.db2.gz ZJTWUDYUPLZZHN-MXWKQRLJSA-N 2 2 248.392 0.492 20 0 BCADLP CCC[NH2+][C@@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000581432326 367468481 /nfs/dbraw/zinc/46/84/81/367468481.db2.gz RZKCSNDQDRXULB-VIFPVBQESA-N 2 2 224.308 0.722 20 0 BCADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000382515698 367532522 /nfs/dbraw/zinc/53/25/22/367532522.db2.gz REBOASAUVSDMJH-GHMZBOCLSA-N 2 2 236.319 0.517 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](SC)C1 ZINC000382924039 367566742 /nfs/dbraw/zinc/56/67/42/367566742.db2.gz IXJSTKQKIYBFAQ-GHMZBOCLSA-N 2 2 232.393 0.736 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](SC)C1 ZINC000382924039 367566748 /nfs/dbraw/zinc/56/67/48/367566748.db2.gz IXJSTKQKIYBFAQ-GHMZBOCLSA-N 2 2 232.393 0.736 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](SC)C1 ZINC000382924039 367566753 /nfs/dbraw/zinc/56/67/53/367566753.db2.gz IXJSTKQKIYBFAQ-GHMZBOCLSA-N 2 2 232.393 0.736 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](SC)C1 ZINC000382924039 367566756 /nfs/dbraw/zinc/56/67/56/367566756.db2.gz IXJSTKQKIYBFAQ-GHMZBOCLSA-N 2 2 232.393 0.736 20 0 BCADLP CS[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000382926050 367568864 /nfs/dbraw/zinc/56/88/64/367568864.db2.gz JKRJTKCZKYMLFI-NWDGAFQWSA-N 2 2 244.404 0.879 20 0 BCADLP CS[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000382926050 367568867 /nfs/dbraw/zinc/56/88/67/367568867.db2.gz JKRJTKCZKYMLFI-NWDGAFQWSA-N 2 2 244.404 0.879 20 0 BCADLP CS[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000382926050 367568870 /nfs/dbraw/zinc/56/88/70/367568870.db2.gz JKRJTKCZKYMLFI-NWDGAFQWSA-N 2 2 244.404 0.879 20 0 BCADLP CS[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000382926050 367568873 /nfs/dbraw/zinc/56/88/73/367568873.db2.gz JKRJTKCZKYMLFI-NWDGAFQWSA-N 2 2 244.404 0.879 20 0 BCADLP CC[NH+](C[C@H](C)OC)C[C@@H](O)C[N@@H+](C)CC ZINC000383102705 367596699 /nfs/dbraw/zinc/59/66/99/367596699.db2.gz CCUZGWJIPXXCRZ-RYUDHWBXSA-N 2 2 232.368 0.656 20 0 BCADLP CC[NH+](C[C@H](C)OC)C[C@@H](O)C[N@H+](C)CC ZINC000383102705 367596707 /nfs/dbraw/zinc/59/67/07/367596707.db2.gz CCUZGWJIPXXCRZ-RYUDHWBXSA-N 2 2 232.368 0.656 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](CC)C[C@H](C)OC ZINC000383102705 367596710 /nfs/dbraw/zinc/59/67/10/367596710.db2.gz CCUZGWJIPXXCRZ-RYUDHWBXSA-N 2 2 232.368 0.656 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](CC)C[C@H](C)OC ZINC000383102705 367596715 /nfs/dbraw/zinc/59/67/15/367596715.db2.gz CCUZGWJIPXXCRZ-RYUDHWBXSA-N 2 2 232.368 0.656 20 0 BCADLP [NH3+]CC[C@H](NC(=O)CCn1cc[nH+]c1)C(F)F ZINC000383469708 367626134 /nfs/dbraw/zinc/62/61/34/367626134.db2.gz LUOIWFDAMPUISM-QMMMGPOBSA-N 2 2 246.261 0.372 20 0 BCADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc(O)c1 ZINC000383486371 367627951 /nfs/dbraw/zinc/62/79/51/367627951.db2.gz QULHHKMDLYFLIO-GWCFXTLKSA-N 2 2 238.331 0.965 20 0 BCADLP CC[N@H+](C)C[C@H](O)CN(C)Cc1[nH+]ccn1C ZINC000383661655 367647872 /nfs/dbraw/zinc/64/78/72/367647872.db2.gz GLAVJXNWZCYLAU-NSHDSACASA-N 2 2 240.351 0.165 20 0 BCADLP CC[N@@H+](C)C[C@H](O)CN(C)Cc1[nH+]ccn1C ZINC000383661655 367647878 /nfs/dbraw/zinc/64/78/78/367647878.db2.gz GLAVJXNWZCYLAU-NSHDSACASA-N 2 2 240.351 0.165 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000581608441 367632022 /nfs/dbraw/zinc/63/20/22/367632022.db2.gz GIWODDXQYXEWTN-UWVGGRQHSA-N 2 2 221.308 0.310 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000581608441 367632025 /nfs/dbraw/zinc/63/20/25/367632025.db2.gz GIWODDXQYXEWTN-UWVGGRQHSA-N 2 2 221.308 0.310 20 0 BCADLP CC[C@H]1C[N@H+](C[C@H](O)C[NH+](C)CC)CCCO1 ZINC000383830265 367655892 /nfs/dbraw/zinc/65/58/92/367655892.db2.gz XPUJVMUKVKXGOJ-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@H]1C[N@@H+](C[C@H](O)C[NH+](C)CC)CCCO1 ZINC000383830265 367655893 /nfs/dbraw/zinc/65/58/93/367655893.db2.gz XPUJVMUKVKXGOJ-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@H]1C[NH+](C[C@H](O)C[N@H+](C)CC)CCCO1 ZINC000383830265 367655895 /nfs/dbraw/zinc/65/58/95/367655895.db2.gz XPUJVMUKVKXGOJ-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@H]1C[NH+](C[C@H](O)C[N@@H+](C)CC)CCCO1 ZINC000383830265 367655896 /nfs/dbraw/zinc/65/58/96/367655896.db2.gz XPUJVMUKVKXGOJ-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP C[N@H+](CC(=O)NC(C)(C)C)C1CC([NH3+])C1 ZINC000384872413 367747507 /nfs/dbraw/zinc/74/75/07/367747507.db2.gz PBNQLQVYEGYLDK-UHFFFAOYSA-N 2 2 213.325 0.323 20 0 BCADLP C[N@@H+](CC(=O)NC(C)(C)C)C1CC([NH3+])C1 ZINC000384872413 367747513 /nfs/dbraw/zinc/74/75/13/367747513.db2.gz PBNQLQVYEGYLDK-UHFFFAOYSA-N 2 2 213.325 0.323 20 0 BCADLP C[N@H+](CC(=O)NCC(F)(F)F)C1CC([NH3+])C1 ZINC000384972798 367768308 /nfs/dbraw/zinc/76/83/08/367768308.db2.gz IPFVVQOGZNVMJF-UHFFFAOYSA-N 2 2 239.241 0.086 20 0 BCADLP C[N@@H+](CC(=O)NCC(F)(F)F)C1CC([NH3+])C1 ZINC000384972798 367768315 /nfs/dbraw/zinc/76/83/15/367768315.db2.gz IPFVVQOGZNVMJF-UHFFFAOYSA-N 2 2 239.241 0.086 20 0 BCADLP C[N@H+](Cc1cn2cccnc2n1)C1CC([NH3+])C1 ZINC000385096296 367789799 /nfs/dbraw/zinc/78/97/99/367789799.db2.gz YXOLVAKGUHMQNS-UHFFFAOYSA-N 2 2 231.303 0.651 20 0 BCADLP C[N@@H+](Cc1cn2cccnc2n1)C1CC([NH3+])C1 ZINC000385096296 367789807 /nfs/dbraw/zinc/78/98/07/367789807.db2.gz YXOLVAKGUHMQNS-UHFFFAOYSA-N 2 2 231.303 0.651 20 0 BCADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1C)[NH+]1CC(C)C1 ZINC000581734568 367798517 /nfs/dbraw/zinc/79/85/17/367798517.db2.gz PNBAMYLWOMMLLK-NEPJUHHUSA-N 2 2 239.363 0.489 20 0 BCADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C)[NH+]1CC(C)C1 ZINC000581734568 367798527 /nfs/dbraw/zinc/79/85/27/367798527.db2.gz PNBAMYLWOMMLLK-NEPJUHHUSA-N 2 2 239.363 0.489 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1c1nc(C[NH2+]C)no1 ZINC000581883820 367875291 /nfs/dbraw/zinc/87/52/91/367875291.db2.gz BLDMADVDOKJGCF-SFYZADRCSA-N 2 2 210.281 0.645 20 0 BCADLP CC(C)[C@@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613566 367918737 /nfs/dbraw/zinc/91/87/37/367918737.db2.gz DFDMLUCTDCTVKX-MNOVXSKESA-N 2 2 227.352 0.380 20 0 BCADLP CC(C)[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613566 367918740 /nfs/dbraw/zinc/91/87/40/367918740.db2.gz DFDMLUCTDCTVKX-MNOVXSKESA-N 2 2 227.352 0.380 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCC(C)(C)CO)C1 ZINC000385921454 367882997 /nfs/dbraw/zinc/88/29/97/367882997.db2.gz SWIQFPVJHJZLPX-GFCCVEGCSA-N 2 2 244.379 0.705 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)CO)C1 ZINC000385921454 367883003 /nfs/dbraw/zinc/88/30/03/367883003.db2.gz SWIQFPVJHJZLPX-GFCCVEGCSA-N 2 2 244.379 0.705 20 0 BCADLP CC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1[nH]cc[nH+]1 ZINC000386262969 367942616 /nfs/dbraw/zinc/94/26/16/367942616.db2.gz WHKSRSULHYBPOO-UWVGGRQHSA-N 2 2 236.319 0.929 20 0 BCADLP CC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1[nH]cc[nH+]1 ZINC000386262969 367942619 /nfs/dbraw/zinc/94/26/19/367942619.db2.gz WHKSRSULHYBPOO-UWVGGRQHSA-N 2 2 236.319 0.929 20 0 BCADLP C[C@@H]1[C@@H](CO)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000386271384 367943318 /nfs/dbraw/zinc/94/33/18/367943318.db2.gz MHAFUDAJFMTZGD-VXGBXAGGSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H]1[C@@H](CO)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000386271384 367943322 /nfs/dbraw/zinc/94/33/22/367943322.db2.gz MHAFUDAJFMTZGD-VXGBXAGGSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H]1CN(c2nc[nH+]c(N)c2Cl)C[C@H]1[NH3+] ZINC000581993561 368083626 /nfs/dbraw/zinc/08/36/26/368083626.db2.gz FBEKSKDKOBHKHF-NTSWFWBYSA-N 2 2 227.699 0.496 20 0 BCADLP C[NH2+]C[C@](C)(O)C[NH+]1Cc2ccccc2C1 ZINC000566351277 326035831 /nfs/dbraw/zinc/03/58/31/326035831.db2.gz DCURIKAWPNLWDR-ZDUSSCGKSA-N 2 2 220.316 0.973 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCC[C@H]1O ZINC000252951585 368170955 /nfs/dbraw/zinc/17/09/55/368170955.db2.gz FDEHLRBYMNBKLQ-FDYHWXHSSA-N 2 2 242.363 0.647 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC12CCC2 ZINC000566569582 326065393 /nfs/dbraw/zinc/06/53/93/326065393.db2.gz XSNDJXCBXAKSFY-LBPRGKRZSA-N 2 2 242.363 0.554 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC12CCC2 ZINC000566569582 326065396 /nfs/dbraw/zinc/06/53/96/326065396.db2.gz XSNDJXCBXAKSFY-LBPRGKRZSA-N 2 2 242.363 0.554 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC12CCC2 ZINC000566569582 326065398 /nfs/dbraw/zinc/06/53/98/326065398.db2.gz XSNDJXCBXAKSFY-LBPRGKRZSA-N 2 2 242.363 0.554 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC12CCC2 ZINC000566569582 326065400 /nfs/dbraw/zinc/06/54/00/326065400.db2.gz XSNDJXCBXAKSFY-LBPRGKRZSA-N 2 2 242.363 0.554 20 0 BCADLP C[C@]1(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000566916176 326094156 /nfs/dbraw/zinc/09/41/56/326094156.db2.gz VQSIQGBPMGHIHC-RYUDHWBXSA-N 3 2 227.352 0.036 20 0 BCADLP C[C@]1(C[N@H+]2CCCO[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000566916176 326094157 /nfs/dbraw/zinc/09/41/57/326094157.db2.gz VQSIQGBPMGHIHC-RYUDHWBXSA-N 3 2 227.352 0.036 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCC[C@H]1F)C1CC1 ZINC000567104543 326116596 /nfs/dbraw/zinc/11/65/96/326116596.db2.gz SVAJORCDFNNWQE-TUAOUCFPSA-N 2 2 230.327 0.922 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCC[C@H]1F)C1CC1 ZINC000567104543 326116599 /nfs/dbraw/zinc/11/65/99/326116599.db2.gz SVAJORCDFNNWQE-TUAOUCFPSA-N 2 2 230.327 0.922 20 0 BCADLP c1cnn(CC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631888798 370911698 /nfs/dbraw/zinc/91/16/98/370911698.db2.gz BCAJPALYDJMXMW-STQMWFEESA-N 2 2 234.347 0.957 20 0 BCADLP c1cnn(CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631888798 370911700 /nfs/dbraw/zinc/91/17/00/370911700.db2.gz BCAJPALYDJMXMW-STQMWFEESA-N 2 2 234.347 0.957 20 0 BCADLP Cc1[nH]c(C(=O)NC(C)(C)C[NH+](C)C)c[nH+]1 ZINC000457198493 203018140 /nfs/dbraw/zinc/01/81/40/203018140.db2.gz BDOAPSMBHNOEDJ-UHFFFAOYSA-N 2 2 224.308 0.788 20 0 BCADLP CCCC[N@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC000073611378 368810405 /nfs/dbraw/zinc/81/04/05/368810405.db2.gz IBBKTZIFERTGJD-UHFFFAOYSA-N 2 2 238.335 0.731 20 0 BCADLP CCCC[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC000073611378 368810411 /nfs/dbraw/zinc/81/04/11/368810411.db2.gz IBBKTZIFERTGJD-UHFFFAOYSA-N 2 2 238.335 0.731 20 0 BCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000086272196 368878734 /nfs/dbraw/zinc/87/87/34/368878734.db2.gz GAXUEWKYRBPMCN-YUMQZZPRSA-N 2 2 208.265 0.024 20 0 BCADLP C[N@@H+]1CCN(Cc2ccccn2)[C@H](C[NH3+])C1 ZINC000087613382 368894837 /nfs/dbraw/zinc/89/48/37/368894837.db2.gz RUADEJGWKJJJSA-GFCCVEGCSA-N 2 2 220.320 0.156 20 0 BCADLP C[N@H+]1CCN(Cc2ccccn2)[C@H](C[NH3+])C1 ZINC000087613382 368894845 /nfs/dbraw/zinc/89/48/45/368894845.db2.gz RUADEJGWKJJJSA-GFCCVEGCSA-N 2 2 220.320 0.156 20 0 BCADLP Cc1nccnc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000631823491 368982438 /nfs/dbraw/zinc/98/24/38/368982438.db2.gz FVHGBKFVDYYPJE-ZDUSSCGKSA-N 2 2 232.331 0.970 20 0 BCADLP Cc1nccnc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000631823491 368982442 /nfs/dbraw/zinc/98/24/42/368982442.db2.gz FVHGBKFVDYYPJE-ZDUSSCGKSA-N 2 2 232.331 0.970 20 0 BCADLP C[N@H+](CC(C)(C)[NH3+])[C@H]1CCN(C2CCC2)C1=O ZINC000631829210 369004059 /nfs/dbraw/zinc/00/40/59/369004059.db2.gz KFQJFBAFHZWYEB-NSHDSACASA-N 2 2 239.363 0.809 20 0 BCADLP C[N@@H+](CC(C)(C)[NH3+])[C@H]1CCN(C2CCC2)C1=O ZINC000631829210 369004064 /nfs/dbraw/zinc/00/40/64/369004064.db2.gz KFQJFBAFHZWYEB-NSHDSACASA-N 2 2 239.363 0.809 20 0 BCADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)C[N@@H+]1C1CC1 ZINC000623663149 369081318 /nfs/dbraw/zinc/08/13/18/369081318.db2.gz ZKZTXFYIMIXBMM-XWLWVQCSSA-N 2 2 237.347 0.465 20 0 BCADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)C[N@H+]1C1CC1 ZINC000623663149 369081322 /nfs/dbraw/zinc/08/13/22/369081322.db2.gz ZKZTXFYIMIXBMM-XWLWVQCSSA-N 2 2 237.347 0.465 20 0 BCADLP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)nn1C ZINC000631837399 369098453 /nfs/dbraw/zinc/09/84/53/369098453.db2.gz SASAHORIOYASRZ-MWLCHTKSSA-N 2 2 222.336 0.755 20 0 BCADLP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)nn1C ZINC000631837399 369098457 /nfs/dbraw/zinc/09/84/57/369098457.db2.gz SASAHORIOYASRZ-MWLCHTKSSA-N 2 2 222.336 0.755 20 0 BCADLP Cc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)nn1C ZINC000631837397 369098646 /nfs/dbraw/zinc/09/86/46/369098646.db2.gz SASAHORIOYASRZ-GXSJLCMTSA-N 2 2 222.336 0.755 20 0 BCADLP Cc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)nn1C ZINC000631837397 369098651 /nfs/dbraw/zinc/09/86/51/369098651.db2.gz SASAHORIOYASRZ-GXSJLCMTSA-N 2 2 222.336 0.755 20 0 BCADLP Cn1ncc2c1nc[nH+]c2N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107571677 369352256 /nfs/dbraw/zinc/35/22/56/369352256.db2.gz QJQFYEDQFPYERD-DTORHVGOSA-N 2 2 244.302 0.019 20 0 BCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCCCC1 ZINC000107579392 369354019 /nfs/dbraw/zinc/35/40/19/369354019.db2.gz GSJZOYABYAIVAB-RYUDHWBXSA-N 2 2 237.347 0.150 20 0 BCADLP c1c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)nc2ccccn12 ZINC000107579169 369354025 /nfs/dbraw/zinc/35/40/25/369354025.db2.gz ZYYLHAFHUKSDPY-VXGBXAGGSA-N 2 2 242.326 0.986 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CCc2cn(C)cn2)[C@@H](C)C1 ZINC000459654389 203331548 /nfs/dbraw/zinc/33/15/48/203331548.db2.gz FLFGDMUYMUTBEL-AAEUAGOBSA-N 2 2 236.363 0.892 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]CCc2cn(C)cn2)[C@@H](C)C1 ZINC000459654389 203331549 /nfs/dbraw/zinc/33/15/49/203331549.db2.gz FLFGDMUYMUTBEL-AAEUAGOBSA-N 2 2 236.363 0.892 20 0 BCADLP CCn1nccc1CC[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631861539 369469473 /nfs/dbraw/zinc/46/94/73/369469473.db2.gz DBYUNUUWMIVLPH-GHMZBOCLSA-N 2 2 222.336 0.867 20 0 BCADLP CCn1nccc1CC[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631861539 369469475 /nfs/dbraw/zinc/46/94/75/369469475.db2.gz DBYUNUUWMIVLPH-GHMZBOCLSA-N 2 2 222.336 0.867 20 0 BCADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCCN1CCOCC1 ZINC000631860900 369469907 /nfs/dbraw/zinc/46/99/07/369469907.db2.gz RGPDRWNOHPSEHN-RYUDHWBXSA-N 2 2 227.352 0.130 20 0 BCADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCCN1CCOCC1 ZINC000631860900 369469910 /nfs/dbraw/zinc/46/99/10/369469910.db2.gz RGPDRWNOHPSEHN-RYUDHWBXSA-N 2 2 227.352 0.130 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631861973 369475010 /nfs/dbraw/zinc/47/50/10/369475010.db2.gz KGSUWZQXJCPKAQ-NXEZZACHSA-N 2 2 213.325 0.276 20 0 BCADLP CCOC[C@H](C)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166114859 203387225 /nfs/dbraw/zinc/38/72/25/203387225.db2.gz GVIYNMUVACIDAX-SDDRHHMPSA-N 2 2 230.352 0.768 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](C(C)C)[C@H]1CCOC1 ZINC000567910587 326281847 /nfs/dbraw/zinc/28/18/47/326281847.db2.gz CKVJZERHWGYNTK-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C(C)C)[C@H]1CCOC1 ZINC000567910587 326281849 /nfs/dbraw/zinc/28/18/49/326281849.db2.gz CKVJZERHWGYNTK-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](C(C)C)[C@H]1CCOC1 ZINC000567910587 326281850 /nfs/dbraw/zinc/28/18/50/326281850.db2.gz CKVJZERHWGYNTK-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000567910587 326281853 /nfs/dbraw/zinc/28/18/53/326281853.db2.gz CKVJZERHWGYNTK-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)OC)CC[C@H]1[NH3+] ZINC000251779319 369961260 /nfs/dbraw/zinc/96/12/60/369961260.db2.gz MZGHQOFADHJFOO-OPRDCNLKSA-N 2 2 214.309 0.607 20 0 BCADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)OC)CC[C@H]1[NH3+] ZINC000251779319 369961265 /nfs/dbraw/zinc/96/12/65/369961265.db2.gz MZGHQOFADHJFOO-OPRDCNLKSA-N 2 2 214.309 0.607 20 0 BCADLP CC[C@H](C)NC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453275 370045397 /nfs/dbraw/zinc/04/53/97/370045397.db2.gz GBHDGDYMZWOKKP-DCAQKATOSA-N 2 2 225.336 0.052 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000307853385 370054699 /nfs/dbraw/zinc/05/46/99/370054699.db2.gz APCOELZDBCUGBW-JTQLQIEISA-N 2 2 236.319 0.530 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000621295750 370221647 /nfs/dbraw/zinc/22/16/47/370221647.db2.gz XDSFHWMPGUPNKY-JTQLQIEISA-N 2 2 236.319 0.160 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000621295750 370221651 /nfs/dbraw/zinc/22/16/51/370221651.db2.gz XDSFHWMPGUPNKY-JTQLQIEISA-N 2 2 236.319 0.160 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000568208023 326326260 /nfs/dbraw/zinc/32/62/60/326326260.db2.gz SDGRNJNBQVTZJQ-NSHDSACASA-N 2 2 239.363 0.537 20 0 BCADLP CCn1nccc1CC[N@@H+]1CC[C@H]([NH3+])C1 ZINC000621774607 370521178 /nfs/dbraw/zinc/52/11/78/370521178.db2.gz YJTWOCRQHRTYHN-JTQLQIEISA-N 2 2 208.309 0.479 20 0 BCADLP CCn1nccc1CC[N@H+]1CC[C@H]([NH3+])C1 ZINC000621774607 370521183 /nfs/dbraw/zinc/52/11/83/370521183.db2.gz YJTWOCRQHRTYHN-JTQLQIEISA-N 2 2 208.309 0.479 20 0 BCADLP CCn1nccc1CC[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000621774608 370521381 /nfs/dbraw/zinc/52/13/81/370521381.db2.gz YJTWOCRQHRTYHN-SNVBAGLBSA-N 2 2 208.309 0.479 20 0 BCADLP CCn1nccc1CC[N@H+]1CC[C@@H]([NH3+])C1 ZINC000621774608 370521387 /nfs/dbraw/zinc/52/13/87/370521387.db2.gz YJTWOCRQHRTYHN-SNVBAGLBSA-N 2 2 208.309 0.479 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000621777301 370526324 /nfs/dbraw/zinc/52/63/24/370526324.db2.gz ABNXYQHTMGUWHA-UPJWGTAASA-N 3 2 223.364 0.799 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000621777301 370526331 /nfs/dbraw/zinc/52/63/31/370526331.db2.gz ABNXYQHTMGUWHA-UPJWGTAASA-N 3 2 223.364 0.799 20 0 BCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621780978 370528384 /nfs/dbraw/zinc/52/83/84/370528384.db2.gz YBCQZTBKAAXAFQ-DMDPSCGWSA-N 2 2 239.363 0.714 20 0 BCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621780978 370528387 /nfs/dbraw/zinc/52/83/87/370528387.db2.gz YBCQZTBKAAXAFQ-DMDPSCGWSA-N 2 2 239.363 0.714 20 0 BCADLP [NH3+][C@]12CCC[C@H]1C[N@H+](CCN1CCCC1=O)C2 ZINC000621781172 370530937 /nfs/dbraw/zinc/53/09/37/370530937.db2.gz ZXIXBHDFSNEREV-AAEUAGOBSA-N 2 2 237.347 0.422 20 0 BCADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC000621781172 370530939 /nfs/dbraw/zinc/53/09/39/370530939.db2.gz ZXIXBHDFSNEREV-AAEUAGOBSA-N 2 2 237.347 0.422 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1COCC1(C)C ZINC000313058184 370566443 /nfs/dbraw/zinc/56/64/43/370566443.db2.gz DIYGVWIGLYMROC-MNOVXSKESA-N 2 2 230.352 0.314 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1COCC1(C)C ZINC000313058184 370566445 /nfs/dbraw/zinc/56/64/45/370566445.db2.gz DIYGVWIGLYMROC-MNOVXSKESA-N 2 2 230.352 0.314 20 0 BCADLP Cn1c[nH+]c(CC[NH2+]C[C@@H](O)C(F)(F)F)c1 ZINC000313259833 370574379 /nfs/dbraw/zinc/57/43/79/370574379.db2.gz FWJYRUZQETTYFC-MRVPVSSYSA-N 2 2 237.225 0.475 20 0 BCADLP Cn1c[nH+]c(CC[NH2+]CC2(O)CCCC2)c1 ZINC000313250573 370574706 /nfs/dbraw/zinc/57/47/06/370574706.db2.gz JQLMAAJUKAWAPS-UHFFFAOYSA-N 2 2 223.320 0.857 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1F)C1CC1 ZINC000568857878 326379695 /nfs/dbraw/zinc/37/96/95/326379695.db2.gz SVAJORCDFNNWQE-SDDRHHMPSA-N 2 2 230.327 0.922 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1F)C1CC1 ZINC000568857878 326379697 /nfs/dbraw/zinc/37/96/97/326379697.db2.gz SVAJORCDFNNWQE-SDDRHHMPSA-N 2 2 230.327 0.922 20 0 BCADLP CCO[C@@H]1C[C@@H]1[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000568868727 326380107 /nfs/dbraw/zinc/38/01/07/326380107.db2.gz CMSQLSPCWPVUNP-LOWDOPEQSA-N 2 2 240.347 0.520 20 0 BCADLP CO[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000623758689 371083070 /nfs/dbraw/zinc/08/30/70/371083070.db2.gz KVAPCNRUMWZTLZ-JHJVBQTASA-N 2 2 242.363 0.600 20 0 BCADLP CO[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000623758689 371083074 /nfs/dbraw/zinc/08/30/74/371083074.db2.gz KVAPCNRUMWZTLZ-JHJVBQTASA-N 2 2 242.363 0.600 20 0 BCADLP CO[C@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000623758690 371083189 /nfs/dbraw/zinc/08/31/89/371083189.db2.gz KVAPCNRUMWZTLZ-UPJWGTAASA-N 2 2 242.363 0.600 20 0 BCADLP CO[C@H]1CCC[C@@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000623758690 371083193 /nfs/dbraw/zinc/08/31/93/371083193.db2.gz KVAPCNRUMWZTLZ-UPJWGTAASA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000623777394 371089699 /nfs/dbraw/zinc/08/96/99/371089699.db2.gz CQVHABQXDJTQDU-MWLCHTKSSA-N 2 2 221.304 0.827 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000623777394 371089705 /nfs/dbraw/zinc/08/97/05/371089705.db2.gz CQVHABQXDJTQDU-MWLCHTKSSA-N 2 2 221.304 0.827 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C[C@H](C)O1 ZINC000623838260 371119532 /nfs/dbraw/zinc/11/95/32/371119532.db2.gz MSCCSYOYJUICKP-RNJOBUHISA-N 2 2 242.363 0.599 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)C[C@H](C)O1 ZINC000623838260 371119535 /nfs/dbraw/zinc/11/95/35/371119535.db2.gz MSCCSYOYJUICKP-RNJOBUHISA-N 2 2 242.363 0.599 20 0 BCADLP COC[C@@H](C)C[NH2+]CC[NH+]1CCCC1 ZINC000163298575 326400038 /nfs/dbraw/zinc/40/00/38/326400038.db2.gz YSBAGNOAEUKNDC-NSHDSACASA-N 2 2 200.326 0.954 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000623962608 371199873 /nfs/dbraw/zinc/19/98/73/371199873.db2.gz KHVFXWVWAVFQPV-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000623962608 371199876 /nfs/dbraw/zinc/19/98/76/371199876.db2.gz KHVFXWVWAVFQPV-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624102288 371308120 /nfs/dbraw/zinc/30/81/20/371308120.db2.gz RDVOHWMEKHOVSO-WDEREUQCSA-N 2 2 223.324 0.350 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624102288 371308123 /nfs/dbraw/zinc/30/81/23/371308123.db2.gz RDVOHWMEKHOVSO-WDEREUQCSA-N 2 2 223.324 0.350 20 0 BCADLP COCC[NH+]1CCC([NH2+]Cc2cn[nH]c2)CC1 ZINC000624215822 371402857 /nfs/dbraw/zinc/40/28/57/371402857.db2.gz GFNHCKUQHDYWDQ-UHFFFAOYSA-N 2 2 238.335 0.610 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCN2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000624228535 371417591 /nfs/dbraw/zinc/41/75/91/371417591.db2.gz VDJHLJIOBJBOQB-FRRDWIJNSA-N 2 2 241.379 0.125 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCN2CC[C@@H](O)C2)CC[N@H+]1C ZINC000624228535 371417595 /nfs/dbraw/zinc/41/75/95/371417595.db2.gz VDJHLJIOBJBOQB-FRRDWIJNSA-N 2 2 241.379 0.125 20 0 BCADLP C[C@@H](Cc1ccoc1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624231044 371418798 /nfs/dbraw/zinc/41/87/98/371418798.db2.gz OBVHOEFKVAMYFW-WCQYABFASA-N 2 2 238.331 0.867 20 0 BCADLP C[C@@H](Cc1ccoc1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624231044 371418803 /nfs/dbraw/zinc/41/88/03/371418803.db2.gz OBVHOEFKVAMYFW-WCQYABFASA-N 2 2 238.331 0.867 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+]C2Cc3ccccc3C2)C1 ZINC000624333721 371484890 /nfs/dbraw/zinc/48/48/90/371484890.db2.gz WEXQOVAFFKWBGG-HNNXBMFYSA-N 2 2 246.354 0.810 20 0 BCADLP O[C@H]1CC[N@@H+](CC[NH2+]C2Cc3ccccc3C2)C1 ZINC000624333721 371484895 /nfs/dbraw/zinc/48/48/95/371484895.db2.gz WEXQOVAFFKWBGG-HNNXBMFYSA-N 2 2 246.354 0.810 20 0 BCADLP CC(C)[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624333628 371485299 /nfs/dbraw/zinc/48/52/99/371485299.db2.gz UFCZJRKROALZAV-QWRGUYRKSA-N 2 2 200.326 0.687 20 0 BCADLP CC(C)[C@H](C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624333628 371485304 /nfs/dbraw/zinc/48/53/04/371485304.db2.gz UFCZJRKROALZAV-QWRGUYRKSA-N 2 2 200.326 0.687 20 0 BCADLP COCC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624333553 371485696 /nfs/dbraw/zinc/48/56/96/371485696.db2.gz RNDPJCOGEGSZKU-MNOVXSKESA-N 2 2 216.325 0.068 20 0 BCADLP COCC[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624333553 371485702 /nfs/dbraw/zinc/48/57/02/371485702.db2.gz RNDPJCOGEGSZKU-MNOVXSKESA-N 2 2 216.325 0.068 20 0 BCADLP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631820879 372593165 /nfs/dbraw/zinc/59/31/65/372593165.db2.gz JACDAYRAVBQXAP-ZJUUUORDSA-N 2 2 221.308 0.059 20 0 BCADLP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631820879 372593169 /nfs/dbraw/zinc/59/31/69/372593169.db2.gz JACDAYRAVBQXAP-ZJUUUORDSA-N 2 2 221.308 0.059 20 0 BCADLP C[NH2+][C@H]1CC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631820878 372593437 /nfs/dbraw/zinc/59/34/37/372593437.db2.gz JACDAYRAVBQXAP-VHSXEESVSA-N 2 2 221.308 0.059 20 0 BCADLP C[NH2+][C@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631820878 372593442 /nfs/dbraw/zinc/59/34/42/372593442.db2.gz JACDAYRAVBQXAP-VHSXEESVSA-N 2 2 221.308 0.059 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000631820790 372593714 /nfs/dbraw/zinc/59/37/14/372593714.db2.gz GHJXDNFLLVHABZ-WDEREUQCSA-N 2 2 235.335 0.579 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@H]1CCc2ncnn21 ZINC000631820790 372593719 /nfs/dbraw/zinc/59/37/19/372593719.db2.gz GHJXDNFLLVHABZ-WDEREUQCSA-N 2 2 235.335 0.579 20 0 BCADLP C[N@H+](CCC[NH3+])CC(=O)Nc1ccccn1 ZINC000631821851 372596637 /nfs/dbraw/zinc/59/66/37/372596637.db2.gz LBOBKHNEFBIHEF-UHFFFAOYSA-N 2 2 222.292 0.301 20 0 BCADLP C[N@@H+](CCC[NH3+])CC(=O)Nc1ccccn1 ZINC000631821851 372596642 /nfs/dbraw/zinc/59/66/42/372596642.db2.gz LBOBKHNEFBIHEF-UHFFFAOYSA-N 2 2 222.292 0.301 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000631821759 372597026 /nfs/dbraw/zinc/59/70/26/372597026.db2.gz IGUWITGHZZPJDL-GHMZBOCLSA-N 2 2 235.335 0.449 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H]1CCc2ncnn21 ZINC000631821759 372597030 /nfs/dbraw/zinc/59/70/30/372597030.db2.gz IGUWITGHZZPJDL-GHMZBOCLSA-N 2 2 235.335 0.449 20 0 BCADLP [NH3+]CC12CC(C1)C[N@@H+]2C[C@H]1CCCCO1 ZINC000631829483 372611573 /nfs/dbraw/zinc/61/15/73/372611573.db2.gz RFORWWDJFLXVAT-MOENNCHZSA-N 2 2 210.321 0.979 20 0 BCADLP [NH3+]CC12CC(C1)C[N@H+]2C[C@H]1CCCCO1 ZINC000631829483 372611577 /nfs/dbraw/zinc/61/15/77/372611577.db2.gz RFORWWDJFLXVAT-MOENNCHZSA-N 2 2 210.321 0.979 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834630 372614498 /nfs/dbraw/zinc/61/44/98/372614498.db2.gz BVSWXYFYXYVXHE-ZJUUUORDSA-N 2 2 213.325 0.454 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834630 372614502 /nfs/dbraw/zinc/61/45/02/372614502.db2.gz BVSWXYFYXYVXHE-ZJUUUORDSA-N 2 2 213.325 0.454 20 0 BCADLP CNC(=O)c1ccc(C[N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000631859284 372658336 /nfs/dbraw/zinc/65/83/36/372658336.db2.gz MCUDKJBWIWGOOO-GWCFXTLKSA-N 2 2 247.342 0.968 20 0 BCADLP CNC(=O)c1ccc(C[N@H+]2C[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000631859284 372658339 /nfs/dbraw/zinc/65/83/39/372658339.db2.gz MCUDKJBWIWGOOO-GWCFXTLKSA-N 2 2 247.342 0.968 20 0 BCADLP C[C@@H]1C[N@H+](Cc2cn3cccnc3n2)C[C@H]1C[NH3+] ZINC000631838855 372633313 /nfs/dbraw/zinc/63/33/13/372633313.db2.gz WDZBWDQVFDXGQC-GHMZBOCLSA-N 2 2 245.330 0.756 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2cn3cccnc3n2)C[C@H]1C[NH3+] ZINC000631838855 372633319 /nfs/dbraw/zinc/63/33/19/372633319.db2.gz WDZBWDQVFDXGQC-GHMZBOCLSA-N 2 2 245.330 0.756 20 0 BCADLP CC(C)N1CCC[C@H]([N@@H+]2C[C@H]([NH3+])C[C@H]2C)C1=O ZINC000631861314 372661239 /nfs/dbraw/zinc/66/12/39/372661239.db2.gz YZLAMHAIKHAMND-UTUOFQBUSA-N 2 2 239.363 0.807 20 0 BCADLP CC(C)N1CCC[C@H]([N@H+]2C[C@H]([NH3+])C[C@H]2C)C1=O ZINC000631861314 372661244 /nfs/dbraw/zinc/66/12/44/372661244.db2.gz YZLAMHAIKHAMND-UTUOFQBUSA-N 2 2 239.363 0.807 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000631861505 372662085 /nfs/dbraw/zinc/66/20/85/372662085.db2.gz CQNJCMKDIJSHTC-OPRDCNLKSA-N 2 2 221.308 0.187 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@H]1CCc2ncnn21 ZINC000631861505 372662091 /nfs/dbraw/zinc/66/20/91/372662091.db2.gz CQNJCMKDIJSHTC-OPRDCNLKSA-N 2 2 221.308 0.187 20 0 BCADLP Cc1noc(CCC[N@H+]2C[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000631862818 372664689 /nfs/dbraw/zinc/66/46/89/372664689.db2.gz UEZBMIRDXSPKRF-WPRPVWTQSA-N 2 2 224.308 0.732 20 0 BCADLP Cc1noc(CCC[N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000631862818 372664698 /nfs/dbraw/zinc/66/46/98/372664698.db2.gz UEZBMIRDXSPKRF-WPRPVWTQSA-N 2 2 224.308 0.732 20 0 BCADLP OCC[NH2+]C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000631862932 372665365 /nfs/dbraw/zinc/66/53/65/372665365.db2.gz VQUMMFKFKLLWSV-GFCCVEGCSA-N 3 2 241.379 0.032 20 0 BCADLP CCCCNC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631869208 372672359 /nfs/dbraw/zinc/67/23/59/372672359.db2.gz HOEMLXNUAJKKIF-YPMHNXCESA-N 2 2 239.363 0.634 20 0 BCADLP Cn1ccc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1=O ZINC000631869313 372672430 /nfs/dbraw/zinc/67/24/30/372672430.db2.gz WASDMXWBRLPGTB-OCCSQVGLSA-N 2 2 247.342 0.617 20 0 BCADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NC1CC1 ZINC000631888115 372682350 /nfs/dbraw/zinc/68/23/50/372682350.db2.gz WLEFJQHMHIDYOH-JQWIXIFHSA-N 2 2 237.347 0.339 20 0 BCADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NC1CC1 ZINC000631888115 372682353 /nfs/dbraw/zinc/68/23/53/372682353.db2.gz WLEFJQHMHIDYOH-JQWIXIFHSA-N 2 2 237.347 0.339 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887670 372682373 /nfs/dbraw/zinc/68/23/73/372682373.db2.gz SWTHLSMTDMBTML-RYUDHWBXSA-N 2 2 239.363 0.585 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887670 372682377 /nfs/dbraw/zinc/68/23/77/372682377.db2.gz SWTHLSMTDMBTML-RYUDHWBXSA-N 2 2 239.363 0.585 20 0 BCADLP O=C(C[C@@H]1CCC[NH2+]1)NCCn1cc[nH+]c1 ZINC000042171712 182017366 /nfs/dbraw/zinc/01/73/66/182017366.db2.gz XWLJGUXIIYWFRN-JTQLQIEISA-N 2 2 222.292 0.141 20 0 BCADLP O=C(C[C@H]1CCC[NH2+]1)NCCCn1cc[nH+]c1 ZINC000042165923 182026991 /nfs/dbraw/zinc/02/69/91/182026991.db2.gz RORGBNKNULWUKQ-LLVKDONJSA-N 2 2 236.319 0.532 20 0 BCADLP Cc1cc(C)c(CNC(=O)NC[C@H](C)[NH3+])c[nH+]1 ZINC000633716308 373702484 /nfs/dbraw/zinc/70/24/84/373702484.db2.gz QNBLABMGQXURJS-VIFPVBQESA-N 2 2 236.319 0.845 20 0 BCADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1CCC[NH2+]1 ZINC000261735376 182264893 /nfs/dbraw/zinc/26/48/93/182264893.db2.gz ORMRRRHWJRLDLT-NSHDSACASA-N 2 2 244.298 0.703 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC000070646642 182273294 /nfs/dbraw/zinc/27/32/94/182273294.db2.gz ZINBMZGUHZEIIX-MRVPVSSYSA-N 2 2 208.265 0.026 20 0 BCADLP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H](C)[NH3+] ZINC000442662692 206082340 /nfs/dbraw/zinc/08/23/40/206082340.db2.gz FYQRRWIAPJHEMK-MNOVXSKESA-N 2 2 227.352 0.666 20 0 BCADLP CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C[C@@H](C)[NH3+] ZINC000442662692 206082343 /nfs/dbraw/zinc/08/23/43/206082343.db2.gz FYQRRWIAPJHEMK-MNOVXSKESA-N 2 2 227.352 0.666 20 0 BCADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc2[nH+]ccn2c1 ZINC000295274532 182345882 /nfs/dbraw/zinc/34/58/82/182345882.db2.gz SHJHKDMUEJKRFS-IAZYJMLFSA-N 2 2 242.282 0.282 20 0 BCADLP OCC[N@H+](CCCn1cc[nH+]c1)CC1CC1 ZINC000352485019 183066641 /nfs/dbraw/zinc/06/66/41/183066641.db2.gz WOCHQBYKACQIMW-UHFFFAOYSA-N 2 2 223.320 0.978 20 0 BCADLP OCC[N@@H+](CCCn1cc[nH+]c1)CC1CC1 ZINC000352485019 183066645 /nfs/dbraw/zinc/06/66/45/183066645.db2.gz WOCHQBYKACQIMW-UHFFFAOYSA-N 2 2 223.320 0.978 20 0 BCADLP CCCC[C@H]([NH3+])C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000037619572 169007878 /nfs/dbraw/zinc/00/78/78/169007878.db2.gz KDSUMGRRHJXUEQ-MNOVXSKESA-N 2 2 238.335 0.905 20 0 BCADLP OC[C@@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000309571156 183107012 /nfs/dbraw/zinc/10/70/12/183107012.db2.gz MXGXSYRGSXVCMW-MNOVXSKESA-N 2 2 225.292 0.013 20 0 BCADLP OC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)[C@H]1CCCO1 ZINC000308952286 183109778 /nfs/dbraw/zinc/10/97/78/183109778.db2.gz VRRPFOIMYKVAOD-NXEZZACHSA-N 2 2 211.265 0.039 20 0 BCADLP OC[C@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000309571161 183139998 /nfs/dbraw/zinc/13/99/98/183139998.db2.gz MXGXSYRGSXVCMW-WDEREUQCSA-N 2 2 225.292 0.013 20 0 BCADLP OC[C@H]([NH2+]Cc1c[nH+]c[nH]1)[C@H]1CCCO1 ZINC000308952295 183141822 /nfs/dbraw/zinc/14/18/22/183141822.db2.gz VRRPFOIMYKVAOD-VHSXEESVSA-N 2 2 211.265 0.039 20 0 BCADLP OC[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000049474437 183152303 /nfs/dbraw/zinc/15/23/03/183152303.db2.gz HJDXGKLRGKTJMK-NSHDSACASA-N 2 2 209.293 0.587 20 0 BCADLP OC[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000049474437 183152307 /nfs/dbraw/zinc/15/23/07/183152307.db2.gz HJDXGKLRGKTJMK-NSHDSACASA-N 2 2 209.293 0.587 20 0 BCADLP OC[C@]1(F)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000338628534 183157290 /nfs/dbraw/zinc/15/72/90/183157290.db2.gz VEQPVBMKRRLASI-JTQLQIEISA-N 2 2 213.256 0.289 20 0 BCADLP OC[C@]1(F)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000338628534 183157292 /nfs/dbraw/zinc/15/72/92/183157292.db2.gz VEQPVBMKRRLASI-JTQLQIEISA-N 2 2 213.256 0.289 20 0 BCADLP O[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000132488392 183197496 /nfs/dbraw/zinc/19/74/96/183197496.db2.gz IFEQFDIIQZGRKS-LLVKDONJSA-N 2 2 217.272 0.901 20 0 BCADLP O[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000132488392 183197498 /nfs/dbraw/zinc/19/74/98/183197498.db2.gz IFEQFDIIQZGRKS-LLVKDONJSA-N 2 2 217.272 0.901 20 0 BCADLP CCC[N@H+](C)CC(=O)N(C)Cc1[nH+]ccn1C ZINC000339433577 169064363 /nfs/dbraw/zinc/06/43/63/169064363.db2.gz NDDMJPAQMANJIN-UHFFFAOYSA-N 2 2 238.335 0.720 20 0 BCADLP CCC[N@@H+](C)CC(=O)N(C)Cc1[nH+]ccn1C ZINC000339433577 169064364 /nfs/dbraw/zinc/06/43/64/169064364.db2.gz NDDMJPAQMANJIN-UHFFFAOYSA-N 2 2 238.335 0.720 20 0 BCADLP CCC[N@H+](CCc1c[nH+]cn1C)CC(=O)OC ZINC000297657896 169170362 /nfs/dbraw/zinc/17/03/62/169170362.db2.gz JIANRACRYKIPDA-UHFFFAOYSA-N 2 2 239.319 0.848 20 0 BCADLP CCC[N@@H+](CCc1c[nH+]cn1C)CC(=O)OC ZINC000297657896 169170364 /nfs/dbraw/zinc/17/03/64/169170364.db2.gz JIANRACRYKIPDA-UHFFFAOYSA-N 2 2 239.319 0.848 20 0 BCADLP CCC[N@H+](CCn1cc[nH+]c1)CC(=O)NC ZINC000131232576 169171547 /nfs/dbraw/zinc/17/15/47/169171547.db2.gz CVLKWFKQXKNUCG-UHFFFAOYSA-N 2 2 224.308 0.341 20 0 BCADLP CCC[N@@H+](CCn1cc[nH+]c1)CC(=O)NC ZINC000131232576 169171549 /nfs/dbraw/zinc/17/15/49/169171549.db2.gz CVLKWFKQXKNUCG-UHFFFAOYSA-N 2 2 224.308 0.341 20 0 BCADLP CCCN(Cc1[nH+]ccn1C)[C@H]1CC[NH2+]C1 ZINC000070902572 169181166 /nfs/dbraw/zinc/18/11/66/169181166.db2.gz APSPVDXEVITLNJ-NSHDSACASA-N 2 2 222.336 0.994 20 0 BCADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CC3OCCO3)C2)[nH]1 ZINC000272038375 183328046 /nfs/dbraw/zinc/32/80/46/183328046.db2.gz FMKUSJDXJVIVSG-SNVBAGLBSA-N 2 2 237.303 0.962 20 0 BCADLP c1c[nH+]c([C@@H]2CCC[N@H+](CC3OCCO3)C2)[nH]1 ZINC000272038375 183328048 /nfs/dbraw/zinc/32/80/48/183328048.db2.gz FMKUSJDXJVIVSG-SNVBAGLBSA-N 2 2 237.303 0.962 20 0 BCADLP CCCNC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000336743951 169228457 /nfs/dbraw/zinc/22/84/57/169228457.db2.gz PSLLDOJDSHLYBF-NSHDSACASA-N 2 2 215.341 0.476 20 0 BCADLP c1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)on1 ZINC000335913532 183346881 /nfs/dbraw/zinc/34/68/81/183346881.db2.gz GPYCOOKOJWBJDL-ONGXEEELSA-N 2 2 207.277 0.858 20 0 BCADLP c1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)on1 ZINC000335913532 183346882 /nfs/dbraw/zinc/34/68/82/183346882.db2.gz GPYCOOKOJWBJDL-ONGXEEELSA-N 2 2 207.277 0.858 20 0 BCADLP CCCNC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000019843139 169220808 /nfs/dbraw/zinc/22/08/08/169220808.db2.gz CJOZZTXOPOTYMJ-SNVBAGLBSA-N 2 2 213.325 0.183 20 0 BCADLP CCCNC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000019843139 169220812 /nfs/dbraw/zinc/22/08/12/169220812.db2.gz CJOZZTXOPOTYMJ-SNVBAGLBSA-N 2 2 213.325 0.183 20 0 BCADLP c1cc2c(cc1C[NH2+][C@@H]1CC[NH2+]C1)OCCO2 ZINC000094074731 183368392 /nfs/dbraw/zinc/36/83/92/183368392.db2.gz OXGJIQQWNUOGGQ-LLVKDONJSA-N 2 2 234.299 0.909 20 0 BCADLP CCCNC(=O)[C@H](C)[NH+]1CCC([NH2+]C)CC1 ZINC000037469310 169245966 /nfs/dbraw/zinc/24/59/66/169245966.db2.gz MQZUCMFTHHYAPN-JTQLQIEISA-N 2 2 227.352 0.585 20 0 BCADLP CCCNC(=O)[C@H](C)[NH+]1CCC([NH3+])CC1 ZINC000026514092 169246014 /nfs/dbraw/zinc/24/60/14/169246014.db2.gz UGIVAOVCDKZMQO-VIFPVBQESA-N 2 2 213.325 0.324 20 0 BCADLP CCC[C@@H]([NH3+])C(=O)N(C)CCCn1cc[nH+]c1 ZINC000262159386 169386855 /nfs/dbraw/zinc/38/68/55/169386855.db2.gz ULYIWLWYMJYRSE-LLVKDONJSA-N 2 2 238.335 0.859 20 0 BCADLP CCC[C@@H]([NH3+])C(=O)NCCNc1cccc[nH+]1 ZINC000272385132 169388879 /nfs/dbraw/zinc/38/88/79/169388879.db2.gz WYGDQGJDQUKWOD-SNVBAGLBSA-N 2 2 236.319 0.737 20 0 BCADLP CCC[C@@H]([NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000036873105 169388997 /nfs/dbraw/zinc/38/89/97/169388997.db2.gz NKNLVOYRIIVBBJ-SNVBAGLBSA-N 2 2 224.308 0.517 20 0 BCADLP COC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000069721023 383841780 /nfs/dbraw/zinc/84/17/80/383841780.db2.gz JDINBIHTVQWRJD-VIFPVBQESA-N 2 2 200.282 0.363 20 0 BCADLP COC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000069721023 383841789 /nfs/dbraw/zinc/84/17/89/383841789.db2.gz JDINBIHTVQWRJD-VIFPVBQESA-N 2 2 200.282 0.363 20 0 BCADLP COC[C@](C)(CCO)[NH2+]CCn1cc[nH+]c1 ZINC000131674743 383842412 /nfs/dbraw/zinc/84/24/12/383842412.db2.gz WULHXYJZXAOPKJ-NSHDSACASA-N 2 2 227.308 0.260 20 0 BCADLP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000089090924 383933601 /nfs/dbraw/zinc/93/36/01/383933601.db2.gz RFOGVXOAQIBNRV-MNOVXSKESA-N 2 2 236.319 0.517 20 0 BCADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cncnc1 ZINC000054768133 383979083 /nfs/dbraw/zinc/97/90/83/383979083.db2.gz JMETYBAYOVMOPS-SNVBAGLBSA-N 2 2 208.309 0.906 20 0 BCADLP [NH3+][C@H]1CCN(Cc2c[nH+]c3ccccn23)C1 ZINC000089201019 383944024 /nfs/dbraw/zinc/94/40/24/383944024.db2.gz MZVHODRCSLZPPI-JTQLQIEISA-N 2 2 216.288 0.867 20 0 BCADLP CC[N@@H+](CCNCc1[nH]cc[nH+]1)C1CC1 ZINC000067696280 384016926 /nfs/dbraw/zinc/01/69/26/384016926.db2.gz BRRJMBAAGFVFEG-UHFFFAOYSA-N 2 2 208.309 0.984 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000114073022 384024577 /nfs/dbraw/zinc/02/45/77/384024577.db2.gz LRWVISUSMRIOQR-SNVBAGLBSA-N 2 2 236.319 0.473 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC000114073022 384024587 /nfs/dbraw/zinc/02/45/87/384024587.db2.gz LRWVISUSMRIOQR-SNVBAGLBSA-N 2 2 236.319 0.473 20 0 BCADLP c1cn(CC[N@@H+]2CCC[C@H]2Cn2cncn2)c[nH+]1 ZINC000363459415 384060671 /nfs/dbraw/zinc/06/06/71/384060671.db2.gz MAZNTXNYCOJKPM-LBPRGKRZSA-N 2 2 246.318 0.639 20 0 BCADLP c1cn(CC[N@H+]2CCC[C@H]2Cn2cncn2)c[nH+]1 ZINC000363459415 384060676 /nfs/dbraw/zinc/06/06/76/384060676.db2.gz MAZNTXNYCOJKPM-LBPRGKRZSA-N 2 2 246.318 0.639 20 0 BCADLP C[NH2+]Cc1noc(C[C@H]2CCC[NH2+]CC2)n1 ZINC000569456280 384061586 /nfs/dbraw/zinc/06/15/86/384061586.db2.gz YGTWEBWZXURXMW-VIFPVBQESA-N 2 2 224.308 0.721 20 0 BCADLP CC(C)[N@H+](CCO)CCCn1cc[nH+]c1 ZINC000050103895 384108701 /nfs/dbraw/zinc/10/87/01/384108701.db2.gz QRHXDPQBOPVBDL-UHFFFAOYSA-N 2 2 211.309 0.976 20 0 BCADLP CC(C)[N@@H+](CCO)CCCn1cc[nH+]c1 ZINC000050103895 384108708 /nfs/dbraw/zinc/10/87/08/384108708.db2.gz QRHXDPQBOPVBDL-UHFFFAOYSA-N 2 2 211.309 0.976 20 0 BCADLP CC[C@@H](COC)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449388433 384147007 /nfs/dbraw/zinc/14/70/07/384147007.db2.gz PDHOUCHNZGAJPH-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP CC[C@@H](COC)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449388433 384147008 /nfs/dbraw/zinc/14/70/08/384147008.db2.gz PDHOUCHNZGAJPH-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP CC[C@H](COC)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449388431 384147013 /nfs/dbraw/zinc/14/70/13/384147013.db2.gz PDHOUCHNZGAJPH-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP CC[C@H](COC)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449388431 384147014 /nfs/dbraw/zinc/14/70/14/384147014.db2.gz PDHOUCHNZGAJPH-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP Cc1cc[nH+]c(N2CCC[N@H+](CCO)CC2)c1 ZINC000071349535 384163665 /nfs/dbraw/zinc/16/36/65/384163665.db2.gz OODKVPAWQDNKGD-UHFFFAOYSA-N 2 2 235.331 0.894 20 0 BCADLP Cc1cc[nH+]c(N2CCC[N@@H+](CCO)CC2)c1 ZINC000071349535 384163669 /nfs/dbraw/zinc/16/36/69/384163669.db2.gz OODKVPAWQDNKGD-UHFFFAOYSA-N 2 2 235.331 0.894 20 0 BCADLP COCC[NH2+]CC[NH2+]Cc1ccncc1C ZINC000304343958 384203834 /nfs/dbraw/zinc/20/38/34/384203834.db2.gz FRPIRLIQXKVIAI-UHFFFAOYSA-N 2 2 223.320 0.716 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000082523259 384235451 /nfs/dbraw/zinc/23/54/51/384235451.db2.gz PZYWWNXKPWAFSZ-SECBINFHSA-N 2 2 205.261 0.938 20 0 BCADLP [NH3+][C@H]1CCN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000132225499 384223402 /nfs/dbraw/zinc/22/34/02/384223402.db2.gz QGAXGLYVCSYSHE-JTQLQIEISA-N 2 2 244.298 0.436 20 0 BCADLP CC[N@H+](C)CC[NH2+]C[C@@H]1CCCOC1 ZINC000082581226 384243044 /nfs/dbraw/zinc/24/30/44/384243044.db2.gz IZQWXTKYENVNMJ-NSHDSACASA-N 2 2 200.326 0.954 20 0 BCADLP CC[N@@H+](C)CC[NH2+]C[C@@H]1CCCOC1 ZINC000082581226 384243051 /nfs/dbraw/zinc/24/30/51/384243051.db2.gz IZQWXTKYENVNMJ-NSHDSACASA-N 2 2 200.326 0.954 20 0 BCADLP Cc1cc(CNC(=O)[C@@H](C)C[NH3+])cc(C)[nH+]1 ZINC000644164912 384243301 /nfs/dbraw/zinc/24/33/01/384243301.db2.gz GJTGVJATTYOHNO-QMMMGPOBSA-N 2 2 221.304 0.909 20 0 BCADLP C[C@@H](O)[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000305647613 384265037 /nfs/dbraw/zinc/26/50/37/384265037.db2.gz SMUXUIIQVWMRIO-VXGBXAGGSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H](O)[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000305647613 384265041 /nfs/dbraw/zinc/26/50/41/384265041.db2.gz SMUXUIIQVWMRIO-VXGBXAGGSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCc1cnn(C)c1 ZINC000335539592 384316620 /nfs/dbraw/zinc/31/66/20/384316620.db2.gz PKIZMKDJNBYYSB-ONGXEEELSA-N 2 2 208.309 0.384 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCc1cnn(C)c1 ZINC000335539592 384316625 /nfs/dbraw/zinc/31/66/25/384316625.db2.gz PKIZMKDJNBYYSB-ONGXEEELSA-N 2 2 208.309 0.384 20 0 BCADLP C[NH+](C)CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159029758 384297053 /nfs/dbraw/zinc/29/70/53/384297053.db2.gz NJOVUHOHFLFAPX-NSHDSACASA-N 2 2 248.330 0.338 20 0 BCADLP C[C@H](C[NH2+]Cc1ncc[nH]1)C[NH+]1CCOCC1 ZINC000120273692 384344894 /nfs/dbraw/zinc/34/48/94/384344894.db2.gz XWDXOYDAGMSSTL-LLVKDONJSA-N 2 2 238.335 0.468 20 0 BCADLP CCO[C@@H]1C[N@H+](Cc2ccns2)C[C@H]1C[NH3+] ZINC000405456430 384349194 /nfs/dbraw/zinc/34/91/94/384349194.db2.gz PUOWWODSMSVYKG-MWLCHTKSSA-N 2 2 241.360 0.939 20 0 BCADLP CCO[C@@H]1C[N@@H+](Cc2ccns2)C[C@H]1C[NH3+] ZINC000405456430 384349197 /nfs/dbraw/zinc/34/91/97/384349197.db2.gz PUOWWODSMSVYKG-MWLCHTKSSA-N 2 2 241.360 0.939 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000335593286 384357317 /nfs/dbraw/zinc/35/73/17/384357317.db2.gz AGWFFXHNJDSZRU-WCBMZHEXSA-N 2 2 222.292 0.414 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000335593286 384357324 /nfs/dbraw/zinc/35/73/24/384357324.db2.gz AGWFFXHNJDSZRU-WCBMZHEXSA-N 2 2 222.292 0.414 20 0 BCADLP CCCC[C@H]([NH3+])C(=O)NCc1c[nH+]c[nH]1 ZINC000084081080 384361779 /nfs/dbraw/zinc/36/17/79/384361779.db2.gz LJIATZVFRGTPKT-VIFPVBQESA-N 2 2 210.281 0.543 20 0 BCADLP CCCC[C@H]([NH3+])C(=O)NCc1c[nH]c[nH+]1 ZINC000084081080 384361783 /nfs/dbraw/zinc/36/17/83/384361783.db2.gz LJIATZVFRGTPKT-VIFPVBQESA-N 2 2 210.281 0.543 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000308830118 384328448 /nfs/dbraw/zinc/32/84/48/384328448.db2.gz FXAJBAFMQJQIDP-BDAKNGLRSA-N 2 2 210.281 0.125 20 0 BCADLP C[NH+](C)[C@@H](CNC(N)=[NH2+])c1cccc(F)c1 ZINC000078716469 384456920 /nfs/dbraw/zinc/45/69/20/384456920.db2.gz SGJLQYPNNGQWBT-JTQLQIEISA-N 2 2 224.283 0.911 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448021621 384461042 /nfs/dbraw/zinc/46/10/42/384461042.db2.gz JRDQYQSDSSBEHU-QWRGUYRKSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448021621 384461052 /nfs/dbraw/zinc/46/10/52/384461052.db2.gz JRDQYQSDSSBEHU-QWRGUYRKSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448021620 384461927 /nfs/dbraw/zinc/46/19/27/384461927.db2.gz JRDQYQSDSSBEHU-MNOVXSKESA-N 2 2 241.379 0.960 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448021620 384461932 /nfs/dbraw/zinc/46/19/32/384461932.db2.gz JRDQYQSDSSBEHU-MNOVXSKESA-N 2 2 241.379 0.960 20 0 BCADLP CC[C@H]([NH3+])C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000036999449 384467477 /nfs/dbraw/zinc/46/74/77/384467477.db2.gz CEUWCCDKYXCEHR-BDAKNGLRSA-N 2 2 210.281 0.125 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150782886 384506628 /nfs/dbraw/zinc/50/66/28/384506628.db2.gz CHSHSWHZWCEHKX-GFCCVEGCSA-N 2 2 239.363 0.492 20 0 BCADLP CN(C)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150782886 384506632 /nfs/dbraw/zinc/50/66/32/384506632.db2.gz CHSHSWHZWCEHKX-GFCCVEGCSA-N 2 2 239.363 0.492 20 0 BCADLP CC[C@H]1C[N@H+](CCn2cc[nH+]c2)CCO1 ZINC000161701094 384516565 /nfs/dbraw/zinc/51/65/65/384516565.db2.gz IXBRHCJCXILVAY-NSHDSACASA-N 2 2 209.293 0.994 20 0 BCADLP CC[C@H]1C[N@@H+](CCn2cc[nH+]c2)CCO1 ZINC000161701094 384516568 /nfs/dbraw/zinc/51/65/68/384516568.db2.gz IXBRHCJCXILVAY-NSHDSACASA-N 2 2 209.293 0.994 20 0 BCADLP CCCCNC(=O)CC[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000309731615 384570218 /nfs/dbraw/zinc/57/02/18/384570218.db2.gz BFVPLRCHLXDTOO-SNVBAGLBSA-N 2 2 213.325 0.326 20 0 BCADLP CCCCNC(=O)CC[N@H+]1CC[C@@H]([NH3+])C1 ZINC000309731615 384570225 /nfs/dbraw/zinc/57/02/25/384570225.db2.gz BFVPLRCHLXDTOO-SNVBAGLBSA-N 2 2 213.325 0.326 20 0 BCADLP Cc1nc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc(N)[nH+]1 ZINC000306113286 384573846 /nfs/dbraw/zinc/57/38/46/384573846.db2.gz VDUQQTWJWSPLDL-ZJUUUORDSA-N 2 2 248.334 0.801 20 0 BCADLP Cc1nc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)nc(N)[nH+]1 ZINC000306113286 384573856 /nfs/dbraw/zinc/57/38/56/384573856.db2.gz VDUQQTWJWSPLDL-ZJUUUORDSA-N 2 2 248.334 0.801 20 0 BCADLP Cc1nc(N)nc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[nH+]1 ZINC000306113286 384573861 /nfs/dbraw/zinc/57/38/61/384573861.db2.gz VDUQQTWJWSPLDL-ZJUUUORDSA-N 2 2 248.334 0.801 20 0 BCADLP Cc1nc(N)nc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[nH+]1 ZINC000306113286 384573872 /nfs/dbraw/zinc/57/38/72/384573872.db2.gz VDUQQTWJWSPLDL-ZJUUUORDSA-N 2 2 248.334 0.801 20 0 BCADLP CC(C)(O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000111218057 384579614 /nfs/dbraw/zinc/57/96/14/384579614.db2.gz YPOPYAIHJZUJAG-UHFFFAOYSA-N 2 2 238.335 0.298 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643065813 384580595 /nfs/dbraw/zinc/58/05/95/384580595.db2.gz GWDZSJLPSBUSGD-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643065813 384580597 /nfs/dbraw/zinc/58/05/97/384580597.db2.gz GWDZSJLPSBUSGD-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP O=C1C[N@H+](CCn2cc[nH+]c2)[C@H]2CCCC[C@@H]2N1 ZINC000162259087 384593800 /nfs/dbraw/zinc/59/38/00/384593800.db2.gz RTUHWUCQNCYAAY-RYUDHWBXSA-N 2 2 248.330 0.626 20 0 BCADLP O=C1C[N@@H+](CCn2cc[nH+]c2)[C@H]2CCCC[C@@H]2N1 ZINC000162259087 384593808 /nfs/dbraw/zinc/59/38/08/384593808.db2.gz RTUHWUCQNCYAAY-RYUDHWBXSA-N 2 2 248.330 0.626 20 0 BCADLP C[N@H+](CC(=O)NC1CC1)CC(C)(C)C[NH3+] ZINC000086638247 384672315 /nfs/dbraw/zinc/67/23/15/384672315.db2.gz FLVCCPQVXSUHHU-UHFFFAOYSA-N 2 2 213.325 0.182 20 0 BCADLP C[N@@H+](CC(=O)NC1CC1)CC(C)(C)C[NH3+] ZINC000086638247 384672316 /nfs/dbraw/zinc/67/23/16/384672316.db2.gz FLVCCPQVXSUHHU-UHFFFAOYSA-N 2 2 213.325 0.182 20 0 BCADLP C[C@H](CN1CCOCC1)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000359939041 384650141 /nfs/dbraw/zinc/65/01/41/384650141.db2.gz BDKNKIAZFWLOFB-UPJWGTAASA-N 2 2 241.379 0.247 20 0 BCADLP C[C@H](CN1CCOCC1)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000359939041 384650155 /nfs/dbraw/zinc/65/01/55/384650155.db2.gz BDKNKIAZFWLOFB-UPJWGTAASA-N 2 2 241.379 0.247 20 0 BCADLP CN(C)C(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000104096430 384660612 /nfs/dbraw/zinc/66/06/12/384660612.db2.gz SBXXTIMPOPHFIX-LLVKDONJSA-N 2 2 227.352 0.348 20 0 BCADLP CN(C)C(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000104096430 384660619 /nfs/dbraw/zinc/66/06/19/384660619.db2.gz SBXXTIMPOPHFIX-LLVKDONJSA-N 2 2 227.352 0.348 20 0 BCADLP CN(C)C(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000104096430 384660622 /nfs/dbraw/zinc/66/06/22/384660622.db2.gz SBXXTIMPOPHFIX-LLVKDONJSA-N 2 2 227.352 0.348 20 0 BCADLP CN(C)C(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000104096430 384660629 /nfs/dbraw/zinc/66/06/29/384660629.db2.gz SBXXTIMPOPHFIX-LLVKDONJSA-N 2 2 227.352 0.348 20 0 BCADLP COC1CC[NH+](CC[NH2+][C@@H]2CO[C@H](C)C2)CC1 ZINC000647190076 384693173 /nfs/dbraw/zinc/69/31/73/384693173.db2.gz HGRARPVWLCRUDC-NEPJUHHUSA-N 2 2 242.363 0.864 20 0 BCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC[NH+]1CCOCC1 ZINC000357001814 384703494 /nfs/dbraw/zinc/70/34/94/384703494.db2.gz MUUPVKUFIFNHMM-CHWSQXEVSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CC[NH+]1CCOCC1 ZINC000357001814 384703502 /nfs/dbraw/zinc/70/35/02/384703502.db2.gz MUUPVKUFIFNHMM-CHWSQXEVSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@H]1C[N@H+](Cc2ccnn2C)CC[C@@H]1[NH3+] ZINC000086884342 384709736 /nfs/dbraw/zinc/70/97/36/384709736.db2.gz HZEXWUFMKGSUIZ-ONGXEEELSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@H]1C[N@@H+](Cc2ccnn2C)CC[C@@H]1[NH3+] ZINC000086884342 384709740 /nfs/dbraw/zinc/70/97/40/384709740.db2.gz HZEXWUFMKGSUIZ-ONGXEEELSA-N 2 2 208.309 0.589 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866431 384711965 /nfs/dbraw/zinc/71/19/65/384711965.db2.gz FZGOVAJNCUHDAW-UWVGGRQHSA-N 2 2 236.319 0.473 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866431 384711968 /nfs/dbraw/zinc/71/19/68/384711968.db2.gz FZGOVAJNCUHDAW-UWVGGRQHSA-N 2 2 236.319 0.473 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866433 384712039 /nfs/dbraw/zinc/71/20/39/384712039.db2.gz FZGOVAJNCUHDAW-ZJUUUORDSA-N 2 2 236.319 0.473 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866433 384712046 /nfs/dbraw/zinc/71/20/46/384712046.db2.gz FZGOVAJNCUHDAW-ZJUUUORDSA-N 2 2 236.319 0.473 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866295 384712758 /nfs/dbraw/zinc/71/27/58/384712758.db2.gz YDAFJGHUTLTTHT-RKDXNWHRSA-N 2 2 222.292 0.083 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866295 384712762 /nfs/dbraw/zinc/71/27/62/384712762.db2.gz YDAFJGHUTLTTHT-RKDXNWHRSA-N 2 2 222.292 0.083 20 0 BCADLP C[C@H](C[S@](C)=O)[N@H+](C)CCn1cc[nH+]c1 ZINC000126161915 384775787 /nfs/dbraw/zinc/77/57/87/384775787.db2.gz RBAUNTKRIAKCLR-MEBBXXQBSA-N 2 2 229.349 0.582 20 0 BCADLP C[C@H](C[S@](C)=O)[N@@H+](C)CCn1cc[nH+]c1 ZINC000126161915 384775791 /nfs/dbraw/zinc/77/57/91/384775791.db2.gz RBAUNTKRIAKCLR-MEBBXXQBSA-N 2 2 229.349 0.582 20 0 BCADLP C[C@@H](C[NH2+]CCCc1cnn(C)c1)[NH+](C)C ZINC000314065359 384777026 /nfs/dbraw/zinc/77/70/26/384777026.db2.gz YXUGYRHHLRCLHV-NSHDSACASA-N 2 2 224.352 0.892 20 0 BCADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)C1 ZINC000647547414 384738231 /nfs/dbraw/zinc/73/82/31/384738231.db2.gz VOPCNIACCURKTO-RWMBFGLXSA-N 3 2 225.380 0.964 20 0 BCADLP COCC[C@H](COC)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000309969592 384748284 /nfs/dbraw/zinc/74/82/84/384748284.db2.gz OTOLGKZMRSXSTK-QJPTWQEYSA-N 2 2 230.352 0.578 20 0 BCADLP COCC[C@H](COC)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000309969592 384748289 /nfs/dbraw/zinc/74/82/89/384748289.db2.gz OTOLGKZMRSXSTK-QJPTWQEYSA-N 2 2 230.352 0.578 20 0 BCADLP Cc1ccoc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000309969667 384749148 /nfs/dbraw/zinc/74/91/48/384749148.db2.gz OULXJOSEBBSBSK-GFCCVEGCSA-N 2 2 224.304 0.744 20 0 BCADLP Cc1ccoc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000309969667 384749154 /nfs/dbraw/zinc/74/91/54/384749154.db2.gz OULXJOSEBBSBSK-GFCCVEGCSA-N 2 2 224.304 0.744 20 0 BCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cccnc1 ZINC000125908466 384759780 /nfs/dbraw/zinc/75/97/80/384759780.db2.gz MZJCSCKVBHSINS-LBPRGKRZSA-N 2 2 223.320 0.484 20 0 BCADLP CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCC[NH3+] ZINC000647552823 384760486 /nfs/dbraw/zinc/76/04/86/384760486.db2.gz ZGKYXXPOUAGPNJ-ZDUSSCGKSA-N 2 2 247.342 0.508 20 0 BCADLP CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCC[NH3+] ZINC000647552823 384760492 /nfs/dbraw/zinc/76/04/92/384760492.db2.gz ZGKYXXPOUAGPNJ-ZDUSSCGKSA-N 2 2 247.342 0.508 20 0 BCADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000647550942 384766259 /nfs/dbraw/zinc/76/62/59/384766259.db2.gz PSXSNWFKLRHOQA-GARJFASQSA-N 2 2 237.347 0.337 20 0 BCADLP [NH3+]CCC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000083935031 384819602 /nfs/dbraw/zinc/81/96/02/384819602.db2.gz VTOLFJNMRPFUEG-UHFFFAOYSA-N 2 2 222.292 0.184 20 0 BCADLP CC[C@H](CCO)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000308577596 384820372 /nfs/dbraw/zinc/82/03/72/384820372.db2.gz FCSNRZYRHWPUGT-MXWKQRLJSA-N 2 2 200.326 0.687 20 0 BCADLP CC[C@H](CCO)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000308577596 384820379 /nfs/dbraw/zinc/82/03/79/384820379.db2.gz FCSNRZYRHWPUGT-MXWKQRLJSA-N 2 2 200.326 0.687 20 0 BCADLP C[C@@H](C[NH3+])C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000054339125 384832794 /nfs/dbraw/zinc/83/27/94/384832794.db2.gz ZDXYBISBNPWBNG-VIFPVBQESA-N 2 2 245.286 0.801 20 0 BCADLP CC(C)C[C@H]1C(=O)NCC[N@H+]1CCC[NH3+] ZINC000108361849 384783594 /nfs/dbraw/zinc/78/35/94/384783594.db2.gz PXBAFBFWIKTZII-JTQLQIEISA-N 2 2 213.325 0.182 20 0 BCADLP CC(C)C[C@H]1C(=O)NCC[N@@H+]1CCC[NH3+] ZINC000108361849 384783597 /nfs/dbraw/zinc/78/35/97/384783597.db2.gz PXBAFBFWIKTZII-JTQLQIEISA-N 2 2 213.325 0.182 20 0 BCADLP COC(=O)CCC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000601330060 384788773 /nfs/dbraw/zinc/78/87/73/384788773.db2.gz PXAFBCYZEFPZAN-DTWKUNHWSA-N 2 2 200.282 0.361 20 0 BCADLP COC(=O)CCC[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000601330060 384788781 /nfs/dbraw/zinc/78/87/81/384788781.db2.gz PXAFBCYZEFPZAN-DTWKUNHWSA-N 2 2 200.282 0.361 20 0 BCADLP C[C@H]([NH3+])C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000083883835 384807517 /nfs/dbraw/zinc/80/75/17/384807517.db2.gz FHMBTBDKOGGOOX-VIFPVBQESA-N 2 2 232.287 0.340 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000398121776 384811176 /nfs/dbraw/zinc/81/11/76/384811176.db2.gz GXABBRJFVADNEY-LPWJVIDDSA-N 2 2 242.363 0.911 20 0 BCADLP O=C1OCC[C@@]12CCC[N@@H+]2CCn1cc[nH+]c1 ZINC000186681014 384870253 /nfs/dbraw/zinc/87/02/53/384870253.db2.gz IOODHUFSGNKXQJ-LBPRGKRZSA-N 2 2 235.287 0.665 20 0 BCADLP O=C1OCC[C@@]12CCC[N@H+]2CCn1cc[nH+]c1 ZINC000186681014 384870261 /nfs/dbraw/zinc/87/02/61/384870261.db2.gz IOODHUFSGNKXQJ-LBPRGKRZSA-N 2 2 235.287 0.665 20 0 BCADLP CCOCC[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000308620240 384874682 /nfs/dbraw/zinc/87/46/82/384874682.db2.gz SVTCZLZNIUIIIO-GHMZBOCLSA-N 2 2 200.326 0.953 20 0 BCADLP CCOCC[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000308620240 384874686 /nfs/dbraw/zinc/87/46/86/384874686.db2.gz SVTCZLZNIUIIIO-GHMZBOCLSA-N 2 2 200.326 0.953 20 0 BCADLP C[C@]1(C[NH3+])CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000309511830 384849588 /nfs/dbraw/zinc/84/95/88/384849588.db2.gz XOCBIHAPFAZLMS-NEPJUHHUSA-N 3 2 211.353 0.657 20 0 BCADLP C[C@]1(C[NH3+])CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000309511830 384849597 /nfs/dbraw/zinc/84/95/97/384849597.db2.gz XOCBIHAPFAZLMS-NEPJUHHUSA-N 3 2 211.353 0.657 20 0 BCADLP Cn1c[nH+]cc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177059423 384856205 /nfs/dbraw/zinc/85/62/05/384856205.db2.gz YUQRZEDVCBMXDG-LLVKDONJSA-N 2 2 220.320 0.700 20 0 BCADLP Cn1c[nH+]cc1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000177059423 384856210 /nfs/dbraw/zinc/85/62/10/384856210.db2.gz YUQRZEDVCBMXDG-LLVKDONJSA-N 2 2 220.320 0.700 20 0 BCADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@](O)(CO)C1 ZINC000314206900 384860676 /nfs/dbraw/zinc/86/06/76/384860676.db2.gz QJHQQPUQNHNUEG-GFCCVEGCSA-N 2 2 230.352 0.194 20 0 BCADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@](O)(CO)C1 ZINC000314206900 384860683 /nfs/dbraw/zinc/86/06/83/384860683.db2.gz QJHQQPUQNHNUEG-GFCCVEGCSA-N 2 2 230.352 0.194 20 0 BCADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000644547754 384951344 /nfs/dbraw/zinc/95/13/44/384951344.db2.gz OQWBFYXSOSNDAY-DTWKUNHWSA-N 2 2 240.269 0.984 20 0 BCADLP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000644547754 384951347 /nfs/dbraw/zinc/95/13/47/384951347.db2.gz OQWBFYXSOSNDAY-DTWKUNHWSA-N 2 2 240.269 0.984 20 0 BCADLP CC(C)COC[C@H](O)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000644548164 384952274 /nfs/dbraw/zinc/95/22/74/384952274.db2.gz RIEDWDSICRVIKB-QWHCGFSZSA-N 2 2 244.379 0.704 20 0 BCADLP CC(C)COC[C@H](O)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000644548164 384952281 /nfs/dbraw/zinc/95/22/81/384952281.db2.gz RIEDWDSICRVIKB-QWHCGFSZSA-N 2 2 244.379 0.704 20 0 BCADLP Fc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1 ZINC000259018722 384955163 /nfs/dbraw/zinc/95/51/63/384955163.db2.gz YEHXXMRZDGSLFS-LBPRGKRZSA-N 2 2 224.279 0.904 20 0 BCADLP Nc1cc[nH+]cc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000127592770 384918985 /nfs/dbraw/zinc/91/89/85/384918985.db2.gz LIGDOXRINYKOBU-UHFFFAOYSA-N 2 2 246.314 0.584 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000310244465 384920660 /nfs/dbraw/zinc/92/06/60/384920660.db2.gz JHDHQMYPLUTEQS-NEPJUHHUSA-N 2 2 239.363 0.444 20 0 BCADLP CCCCNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000310244465 384920668 /nfs/dbraw/zinc/92/06/68/384920668.db2.gz JHDHQMYPLUTEQS-NEPJUHHUSA-N 2 2 239.363 0.444 20 0 BCADLP C[NH2+]CC[NH2+]Cc1ccc2c(c1)ncn2C ZINC000258721146 384939464 /nfs/dbraw/zinc/93/94/64/384939464.db2.gz IWSUJWFNZJHPKU-UHFFFAOYSA-N 2 2 218.304 0.882 20 0 BCADLP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000258797006 384943984 /nfs/dbraw/zinc/94/39/84/384943984.db2.gz AEXXJPJGERYEKZ-ZDUSSCGKSA-N 2 2 236.315 0.773 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)CS(C)(=O)=O ZINC000081900425 384944569 /nfs/dbraw/zinc/94/45/69/384944569.db2.gz QOHDJQZERTWBHR-NXEZZACHSA-N 2 2 245.348 0.294 20 0 BCADLP CCOCC[C@H](O)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000644547679 384946187 /nfs/dbraw/zinc/94/61/87/384946187.db2.gz ITDFJAJMCPRVCV-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP CCOCC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000644547679 384946189 /nfs/dbraw/zinc/94/61/89/384946189.db2.gz ITDFJAJMCPRVCV-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP CCOCC[C@@H](O)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000644547680 384947434 /nfs/dbraw/zinc/94/74/34/384947434.db2.gz ITDFJAJMCPRVCV-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP CCOCC[C@@H](O)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000644547680 384947437 /nfs/dbraw/zinc/94/74/37/384947437.db2.gz ITDFJAJMCPRVCV-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP CCOC[C@H](O)C[NH2+][C@@H](CC)C[NH+]1CCCC1 ZINC000644569439 384965875 /nfs/dbraw/zinc/96/58/75/384965875.db2.gz PLWUFURQMUJSCF-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000564651541 384971025 /nfs/dbraw/zinc/97/10/25/384971025.db2.gz XDMUDXGMHCETBV-SKDRFNHKSA-N 2 2 234.303 0.131 20 0 BCADLP C[C@@H](O)C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000644583327 384982851 /nfs/dbraw/zinc/98/28/51/384982851.db2.gz NGGCDNDIOYSEHU-ZJUUUORDSA-N 2 2 218.366 0.394 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000129356546 384998812 /nfs/dbraw/zinc/99/88/12/384998812.db2.gz WUCOXAJZVHRETG-IUCAKERBSA-N 2 2 211.309 0.077 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000129356546 384998816 /nfs/dbraw/zinc/99/88/16/384998816.db2.gz WUCOXAJZVHRETG-IUCAKERBSA-N 2 2 211.309 0.077 20 0 BCADLP C[NH+](C)CC(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000647628409 385001036 /nfs/dbraw/zinc/00/10/36/385001036.db2.gz KXAPSXUFOXNLQR-MNOVXSKESA-N 2 2 243.326 0.193 20 0 BCADLP CO[C@@H]1CC[N@H+](CCn2cccn2)[C@@H](C[NH3+])C1 ZINC000226418831 385014201 /nfs/dbraw/zinc/01/42/01/385014201.db2.gz ZKJYETISWRKYFG-VXGBXAGGSA-N 2 2 238.335 0.321 20 0 BCADLP CO[C@@H]1CC[N@@H+](CCn2cccn2)[C@@H](C[NH3+])C1 ZINC000226418831 385014214 /nfs/dbraw/zinc/01/42/14/385014214.db2.gz ZKJYETISWRKYFG-VXGBXAGGSA-N 2 2 238.335 0.321 20 0 BCADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)O ZINC000644646289 385053420 /nfs/dbraw/zinc/05/34/20/385053420.db2.gz LCCZZTAUMROOBQ-MNOVXSKESA-N 2 2 200.326 0.831 20 0 BCADLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)O ZINC000644646289 385053423 /nfs/dbraw/zinc/05/34/23/385053423.db2.gz LCCZZTAUMROOBQ-MNOVXSKESA-N 2 2 200.326 0.831 20 0 BCADLP Cn1cc[nH+]c1CNCC1([NH+](C)C)CCC1 ZINC000165155590 385073045 /nfs/dbraw/zinc/07/30/45/385073045.db2.gz NBHNVOFPMYVVPC-UHFFFAOYSA-N 2 2 222.336 0.994 20 0 BCADLP CC[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C)OC ZINC000308762953 385082739 /nfs/dbraw/zinc/08/27/39/385082739.db2.gz ZAAOPWQRIWFZEH-AXFHLTTASA-N 2 2 200.326 0.951 20 0 BCADLP CC[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)OC ZINC000308762953 385082743 /nfs/dbraw/zinc/08/27/43/385082743.db2.gz ZAAOPWQRIWFZEH-AXFHLTTASA-N 2 2 200.326 0.951 20 0 BCADLP CC[N@H+](CC(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000151438379 385109570 /nfs/dbraw/zinc/10/95/70/385109570.db2.gz JJAJDALLBKXYSM-UHFFFAOYSA-N 2 2 236.319 0.484 20 0 BCADLP CC[N@@H+](CC(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000151438379 385109576 /nfs/dbraw/zinc/10/95/76/385109576.db2.gz JJAJDALLBKXYSM-UHFFFAOYSA-N 2 2 236.319 0.484 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2CCC[NH2+]CC2)c[nH+]1 ZINC000646987034 385115728 /nfs/dbraw/zinc/11/57/28/385115728.db2.gz BZPYLNRAOIQXRF-SECBINFHSA-N 2 2 222.292 0.590 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1CCCC[C@@H]1CO)C1CC1 ZINC000310518244 385101213 /nfs/dbraw/zinc/10/12/13/385101213.db2.gz SKNSJOPPIYBTPC-OLZOCXBDSA-N 2 2 242.363 0.288 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC[C@@H]1CO)C1CC1 ZINC000310518244 385101217 /nfs/dbraw/zinc/10/12/17/385101217.db2.gz SKNSJOPPIYBTPC-OLZOCXBDSA-N 2 2 242.363 0.288 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+]1CCCC[C@@H]1CO)C1CC1 ZINC000310518244 385101220 /nfs/dbraw/zinc/10/12/20/385101220.db2.gz SKNSJOPPIYBTPC-OLZOCXBDSA-N 2 2 242.363 0.288 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+]1CCCC[C@@H]1CO)C1CC1 ZINC000310518244 385101224 /nfs/dbraw/zinc/10/12/24/385101224.db2.gz SKNSJOPPIYBTPC-OLZOCXBDSA-N 2 2 242.363 0.288 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062891436 385196064 /nfs/dbraw/zinc/19/60/64/385196064.db2.gz OWMDDPWFIOMYIH-JQWIXIFHSA-N 2 2 236.319 0.387 20 0 BCADLP COC(=O)[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000152043771 385148402 /nfs/dbraw/zinc/14/84/02/385148402.db2.gz PDKCLRUWOLRIKJ-LLVKDONJSA-N 2 2 237.303 0.911 20 0 BCADLP COC(=O)[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000152043771 385148408 /nfs/dbraw/zinc/14/84/08/385148408.db2.gz PDKCLRUWOLRIKJ-LLVKDONJSA-N 2 2 237.303 0.911 20 0 BCADLP Cc1cc(N2CCN(c3[nH]cc[nH+]3)CC2)nc[nH+]1 ZINC000408412507 385165035 /nfs/dbraw/zinc/16/50/35/385165035.db2.gz QRKYPWZATRSNSY-UHFFFAOYSA-N 2 2 244.302 0.835 20 0 BCADLP C[C@@H](Cn1cccn1)[NH2+]C[C@H](C)[NH+](C)C ZINC000308879006 385233387 /nfs/dbraw/zinc/23/33/87/385233387.db2.gz TVDYGIXYCVKXTK-QWRGUYRKSA-N 2 2 210.325 0.811 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316642461 385316076 /nfs/dbraw/zinc/31/60/76/385316076.db2.gz GFHMSSUMMOSPDO-TUAOUCFPSA-N 2 2 241.379 0.959 20 0 BCADLP CC(C)NC(=O)C[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316642461 385316080 /nfs/dbraw/zinc/31/60/80/385316080.db2.gz GFHMSSUMMOSPDO-TUAOUCFPSA-N 2 2 241.379 0.959 20 0 BCADLP C[N@@H+]1C[C@H]2CCN(CCn3cc[nH+]c3)[C@@H]2C1 ZINC000644732157 385277579 /nfs/dbraw/zinc/27/75/79/385277579.db2.gz HKAXVWRIXZJULG-VXGBXAGGSA-N 2 2 220.320 0.519 20 0 BCADLP C[N@H+]1C[C@H]2CCN(CCn3cc[nH+]c3)[C@@H]2C1 ZINC000644732157 385277582 /nfs/dbraw/zinc/27/75/82/385277582.db2.gz HKAXVWRIXZJULG-VXGBXAGGSA-N 2 2 220.320 0.519 20 0 BCADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CCCOC1)CC2 ZINC000309330677 385281225 /nfs/dbraw/zinc/28/12/25/385281225.db2.gz HRPCYAJRTDSSQW-GHMZBOCLSA-N 2 2 221.304 0.967 20 0 BCADLP CC(C)(C)[C@H]([NH2+]Cc1c[nH+]c[nH]1)C(N)=O ZINC000280276043 385288806 /nfs/dbraw/zinc/28/88/06/385288806.db2.gz RRDZEDHSKYNQAW-MRVPVSSYSA-N 2 2 210.281 0.399 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647492725 385298576 /nfs/dbraw/zinc/29/85/76/385298576.db2.gz VIOZFBOWIBMSAE-ZDUSSCGKSA-N 3 2 242.411 0.197 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647492725 385298584 /nfs/dbraw/zinc/29/85/84/385298584.db2.gz VIOZFBOWIBMSAE-ZDUSSCGKSA-N 3 2 242.411 0.197 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000192117459 385345359 /nfs/dbraw/zinc/34/53/59/385345359.db2.gz RRNQCLXCPNMDNQ-VHSXEESVSA-N 2 2 246.314 0.934 20 0 BCADLP CC(C)(C)[N@H+](CCn1cc[nH+]c1)CC(N)=O ZINC000131772889 385359700 /nfs/dbraw/zinc/35/97/00/385359700.db2.gz DBVSXQVLXVBFLY-UHFFFAOYSA-N 2 2 224.308 0.469 20 0 BCADLP CC(C)(C)[N@@H+](CCn1cc[nH+]c1)CC(N)=O ZINC000131772889 385359704 /nfs/dbraw/zinc/35/97/04/385359704.db2.gz DBVSXQVLXVBFLY-UHFFFAOYSA-N 2 2 224.308 0.469 20 0 BCADLP C[C@H](CNC(=O)CC[C@H](C)[NH3+])Cn1cc[nH+]c1 ZINC000193302220 385391901 /nfs/dbraw/zinc/39/19/01/385391901.db2.gz LTVZQVFGAAKWKD-MNOVXSKESA-N 2 2 238.335 0.763 20 0 BCADLP Cc1nnc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)[nH]1 ZINC000405248486 385399833 /nfs/dbraw/zinc/39/98/33/385399833.db2.gz BMHXZNASSOPJED-ZQARSLAVSA-N 2 2 223.324 0.890 20 0 BCADLP Cn1ncnc1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000405242055 385402640 /nfs/dbraw/zinc/40/26/40/385402640.db2.gz WRRYKLLDHYPXNZ-YUMQZZPRSA-N 2 2 209.297 0.031 20 0 BCADLP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000309094707 385405862 /nfs/dbraw/zinc/40/58/62/385405862.db2.gz CJVAPZAFPAZHGM-GRYCIOLGSA-N 2 2 211.353 0.478 20 0 BCADLP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000309094707 385405865 /nfs/dbraw/zinc/40/58/65/385405865.db2.gz CJVAPZAFPAZHGM-GRYCIOLGSA-N 2 2 211.353 0.478 20 0 BCADLP C[C@@H]1C[C@H](NCC[NH+]2CCC2)CC[N@@H+]1C ZINC000309098293 385407037 /nfs/dbraw/zinc/40/70/37/385407037.db2.gz DOYRWRDJQGZENF-VXGBXAGGSA-N 2 2 211.353 0.764 20 0 BCADLP C[C@@H]1C[C@H](NCC[NH+]2CCC2)CC[N@H+]1C ZINC000309098293 385407039 /nfs/dbraw/zinc/40/70/39/385407039.db2.gz DOYRWRDJQGZENF-VXGBXAGGSA-N 2 2 211.353 0.764 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492763882 385427341 /nfs/dbraw/zinc/42/73/41/385427341.db2.gz JQGPVWQCFWROKD-XKFHPXPTSA-N 2 2 248.330 0.974 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492763882 385427345 /nfs/dbraw/zinc/42/73/45/385427345.db2.gz JQGPVWQCFWROKD-XKFHPXPTSA-N 2 2 248.330 0.974 20 0 BCADLP COCC[C@H](CO)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000336715053 385429729 /nfs/dbraw/zinc/42/97/29/385429729.db2.gz SLWWBPTZUZAWAM-TUAOUCFPSA-N 2 2 242.363 0.599 20 0 BCADLP COCC[C@H](CO)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000336715053 385429730 /nfs/dbraw/zinc/42/97/30/385429730.db2.gz SLWWBPTZUZAWAM-TUAOUCFPSA-N 2 2 242.363 0.599 20 0 BCADLP C[NH+]1CCC([NH2+]CC2([S@](C)=O)CC2)CC1 ZINC000309190241 385457235 /nfs/dbraw/zinc/45/72/35/385457235.db2.gz PMTDLTCVJKUIKL-HNNXBMFYSA-N 2 2 230.377 0.581 20 0 BCADLP C[C@H](O)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000309137428 385431930 /nfs/dbraw/zinc/43/19/30/385431930.db2.gz SIFKFCFJMWAUFD-QMMMGPOBSA-N 2 2 229.349 0.675 20 0 BCADLP C[NH+](C)C[C@@H]1CCN(Cc2c[nH+]c[nH]2)C1 ZINC000179633967 385479964 /nfs/dbraw/zinc/47/99/64/385479964.db2.gz KNEXXJMEGHIUJP-JTQLQIEISA-N 2 2 208.309 0.793 20 0 BCADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH+](C)C)C1 ZINC000171579745 385498676 /nfs/dbraw/zinc/49/86/76/385498676.db2.gz FHTGURCJTCYXBR-NSHDSACASA-N 2 2 222.336 0.946 20 0 BCADLP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000336268643 385501634 /nfs/dbraw/zinc/50/16/34/385501634.db2.gz ZUXOZINYIKLTSO-VXGBXAGGSA-N 3 2 211.353 0.657 20 0 BCADLP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000336268643 385501636 /nfs/dbraw/zinc/50/16/36/385501636.db2.gz ZUXOZINYIKLTSO-VXGBXAGGSA-N 3 2 211.353 0.657 20 0 BCADLP O=C1CC[N@H+](Cc2cccc3[nH+]ccn32)CCN1 ZINC000180061225 385505670 /nfs/dbraw/zinc/50/56/70/385505670.db2.gz JZBYVTVRGUPBAO-UHFFFAOYSA-N 2 2 244.298 0.656 20 0 BCADLP O=C1CC[N@@H+](Cc2cccc3[nH+]ccn32)CCN1 ZINC000180061225 385505676 /nfs/dbraw/zinc/50/56/76/385505676.db2.gz JZBYVTVRGUPBAO-UHFFFAOYSA-N 2 2 244.298 0.656 20 0 BCADLP COC1(C[N@@H+]2CCO[C@@H](C[NH3+])C2)CCCC1 ZINC000318967407 385530545 /nfs/dbraw/zinc/53/05/45/385530545.db2.gz DJQBMSGCJZASPR-NSHDSACASA-N 2 2 228.336 0.605 20 0 BCADLP COC1(C[N@H+]2CCO[C@@H](C[NH3+])C2)CCCC1 ZINC000318967407 385530550 /nfs/dbraw/zinc/53/05/50/385530550.db2.gz DJQBMSGCJZASPR-NSHDSACASA-N 2 2 228.336 0.605 20 0 BCADLP Cn1c[nH+]cc1CNC1(C[NH+](C)C)CCC1 ZINC000282252691 385546812 /nfs/dbraw/zinc/54/68/12/385546812.db2.gz OPSAIICMMVJEBB-UHFFFAOYSA-N 2 2 222.336 0.994 20 0 BCADLP CCCCNC(=O)CC[N@@H+]1CC[C@H]([NH3+])C1 ZINC000309366309 385551376 /nfs/dbraw/zinc/55/13/76/385551376.db2.gz BFVPLRCHLXDTOO-JTQLQIEISA-N 2 2 213.325 0.326 20 0 BCADLP CCCCNC(=O)CC[N@H+]1CC[C@H]([NH3+])C1 ZINC000309366309 385551380 /nfs/dbraw/zinc/55/13/80/385551380.db2.gz BFVPLRCHLXDTOO-JTQLQIEISA-N 2 2 213.325 0.326 20 0 BCADLP C[NH+](C)[C@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)C1CC1 ZINC000493195289 385553925 /nfs/dbraw/zinc/55/39/25/385553925.db2.gz VELLJXQPVDEWMM-MVIFTORASA-N 2 2 248.330 0.879 20 0 BCADLP CCC[C@@H]1C[NH2+]CCN1Cc1[nH+]ccn1C ZINC000107092038 385555420 /nfs/dbraw/zinc/55/54/20/385555420.db2.gz FWMWGDQHPRZSTQ-LLVKDONJSA-N 2 2 222.336 0.994 20 0 BCADLP CC[C@H](C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)OC ZINC000309392791 385562688 /nfs/dbraw/zinc/56/26/88/385562688.db2.gz UBFAXHBMEZSXSB-IJLUTSLNSA-N 2 2 230.352 0.768 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)Cc1nccc(N)n1 ZINC000181096408 385563838 /nfs/dbraw/zinc/56/38/38/385563838.db2.gz ZAGLAZCMBDEQEV-UHFFFAOYSA-N 2 2 246.318 0.777 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nccc(N)n1 ZINC000181096408 385563840 /nfs/dbraw/zinc/56/38/40/385563840.db2.gz ZAGLAZCMBDEQEV-UHFFFAOYSA-N 2 2 246.318 0.777 20 0 BCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577174 385572633 /nfs/dbraw/zinc/57/26/33/385572633.db2.gz MBTWWJCYXYPKQI-UTUOFQBUSA-N 2 2 239.363 0.442 20 0 BCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577174 385572635 /nfs/dbraw/zinc/57/26/35/385572635.db2.gz MBTWWJCYXYPKQI-UTUOFQBUSA-N 2 2 239.363 0.442 20 0 BCADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(=O)[nH]n1 ZINC000309465554 385595628 /nfs/dbraw/zinc/59/56/28/385595628.db2.gz PVHORWKTWXNWHP-SECBINFHSA-N 2 2 224.308 0.372 20 0 BCADLP C[NH+]1CCC([NH2+][C@@H](CO)[C@H]2CCCO2)CC1 ZINC000309468415 385597101 /nfs/dbraw/zinc/59/71/01/385597101.db2.gz QBJUSFKIPFBSGD-NWDGAFQWSA-N 2 2 228.336 0.210 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000309475039 385597692 /nfs/dbraw/zinc/59/76/92/385597692.db2.gz RSYSLWQZFOQACB-MWLCHTKSSA-N 2 2 245.392 0.277 20 0 BCADLP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414849164 385624805 /nfs/dbraw/zinc/62/48/05/385624805.db2.gz QWACZJDYBAKGON-IJLUTSLNSA-N 3 2 211.353 0.859 20 0 BCADLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414849166 385625248 /nfs/dbraw/zinc/62/52/48/385625248.db2.gz QWACZJDYBAKGON-WOPDTQHZSA-N 3 2 211.353 0.859 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCCS(C)(=O)=O)C1 ZINC000082645527 385626998 /nfs/dbraw/zinc/62/69/98/385626998.db2.gz VEVWMAYOXYJYQG-MNOVXSKESA-N 2 2 248.392 0.480 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCCS(C)(=O)=O)C1 ZINC000082645527 385627004 /nfs/dbraw/zinc/62/70/04/385627004.db2.gz VEVWMAYOXYJYQG-MNOVXSKESA-N 2 2 248.392 0.480 20 0 BCADLP Cc1c(C[NH2+]C[C@](C)(O)C[NH+](C)C)cnn1C ZINC000119314608 385628537 /nfs/dbraw/zinc/62/85/37/385628537.db2.gz AVITYAXYMHLMDG-LBPRGKRZSA-N 2 2 240.351 0.131 20 0 BCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493845745 385628747 /nfs/dbraw/zinc/62/87/47/385628747.db2.gz DGCSOZOFOSEHPO-ZWNMCFTASA-N 2 2 248.330 0.976 20 0 BCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493845745 385628751 /nfs/dbraw/zinc/62/87/51/385628751.db2.gz DGCSOZOFOSEHPO-ZWNMCFTASA-N 2 2 248.330 0.976 20 0 BCADLP Cc1c(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cnn1C ZINC000309512208 385646525 /nfs/dbraw/zinc/64/65/25/385646525.db2.gz XSLYPYCYLFNENX-BXKDBHETSA-N 2 2 222.336 0.768 20 0 BCADLP Cc1c(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cnn1C ZINC000309512208 385646529 /nfs/dbraw/zinc/64/65/29/385646529.db2.gz XSLYPYCYLFNENX-BXKDBHETSA-N 2 2 222.336 0.768 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000309544239 385679999 /nfs/dbraw/zinc/67/99/99/385679999.db2.gz GMQNFUIJKKGHJK-GMTAPVOTSA-N 2 2 223.324 0.206 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000309544239 385680005 /nfs/dbraw/zinc/68/00/05/385680005.db2.gz GMQNFUIJKKGHJK-GMTAPVOTSA-N 2 2 223.324 0.206 20 0 BCADLP CC(C)C[C@H](C[NH3+])[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414856758 385717299 /nfs/dbraw/zinc/71/72/99/385717299.db2.gz ZLBDXJJYSBGFDQ-VXGBXAGGSA-N 3 2 213.369 0.949 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000309548681 385681568 /nfs/dbraw/zinc/68/15/68/385681568.db2.gz HMNAUGNOPXNJTA-GHMZBOCLSA-N 2 2 227.352 0.714 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000309548681 385681570 /nfs/dbraw/zinc/68/15/70/385681570.db2.gz HMNAUGNOPXNJTA-GHMZBOCLSA-N 2 2 227.352 0.714 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CN(C)C[C@H]1C ZINC000309575287 385708414 /nfs/dbraw/zinc/70/84/14/385708414.db2.gz OSPUGUOCVNFMEU-UTUOFQBUSA-N 2 2 222.336 0.811 20 0 BCADLP CC(C)C(=O)NCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000309594114 385718388 /nfs/dbraw/zinc/71/83/88/385718388.db2.gz HWKSJHSINXVYCI-MNOVXSKESA-N 2 2 227.352 0.298 20 0 BCADLP CC(C)C(=O)NCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000309594114 385718393 /nfs/dbraw/zinc/71/83/93/385718393.db2.gz HWKSJHSINXVYCI-MNOVXSKESA-N 2 2 227.352 0.298 20 0 BCADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cncn1C ZINC000414856328 385711097 /nfs/dbraw/zinc/71/10/97/385711097.db2.gz YOLQMVZEIJAWIT-JTQLQIEISA-N 2 2 210.325 0.883 20 0 BCADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cncn1C ZINC000414856330 385711641 /nfs/dbraw/zinc/71/16/41/385711641.db2.gz YOLQMVZEIJAWIT-SNVBAGLBSA-N 2 2 210.325 0.883 20 0 BCADLP CC(C)(C)[N@H+](CCCn1cc[nH+]c1)CC(N)=O ZINC000182868591 385715168 /nfs/dbraw/zinc/71/51/68/385715168.db2.gz DLWKGFILSVHCAC-UHFFFAOYSA-N 2 2 238.335 0.859 20 0 BCADLP CC(C)(C)[N@@H+](CCCn1cc[nH+]c1)CC(N)=O ZINC000182868591 385715172 /nfs/dbraw/zinc/71/51/72/385715172.db2.gz DLWKGFILSVHCAC-UHFFFAOYSA-N 2 2 238.335 0.859 20 0 BCADLP CC(C)C(=O)NCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000309594509 385718718 /nfs/dbraw/zinc/71/87/18/385718718.db2.gz HWKSJHSINXVYCI-QWRGUYRKSA-N 2 2 227.352 0.298 20 0 BCADLP CC(C)C(=O)NCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000309594509 385718734 /nfs/dbraw/zinc/71/87/34/385718734.db2.gz HWKSJHSINXVYCI-QWRGUYRKSA-N 2 2 227.352 0.298 20 0 BCADLP C[NH+](C)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000270732769 385736065 /nfs/dbraw/zinc/73/60/65/385736065.db2.gz FWHHKISZNRXJSW-UHFFFAOYSA-N 2 2 222.292 0.046 20 0 BCADLP CCOC[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336654807 385740836 /nfs/dbraw/zinc/74/08/36/385740836.db2.gz NABDBWFEXIOSTI-OUAUKWLOSA-N 2 2 200.326 0.951 20 0 BCADLP CCOC[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336654807 385740839 /nfs/dbraw/zinc/74/08/39/385740839.db2.gz NABDBWFEXIOSTI-OUAUKWLOSA-N 2 2 200.326 0.951 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H](C)C1CC1 ZINC000186578859 385772836 /nfs/dbraw/zinc/77/28/36/385772836.db2.gz RNKAHPQCNXSERI-SNVBAGLBSA-N 2 2 200.326 0.689 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)C1CC1 ZINC000186578859 385772838 /nfs/dbraw/zinc/77/28/38/385772838.db2.gz RNKAHPQCNXSERI-SNVBAGLBSA-N 2 2 200.326 0.689 20 0 BCADLP COCC[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336655916 385774072 /nfs/dbraw/zinc/77/40/72/385774072.db2.gz NZTXYMXNSKAKMS-GARJFASQSA-N 2 2 200.326 0.951 20 0 BCADLP COCC[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336655916 385774077 /nfs/dbraw/zinc/77/40/77/385774077.db2.gz NZTXYMXNSKAKMS-GARJFASQSA-N 2 2 200.326 0.951 20 0 BCADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)CC(N)=O ZINC000336691209 385727441 /nfs/dbraw/zinc/72/74/41/385727441.db2.gz PNWXIPWQGJDPKP-VIFPVBQESA-N 2 2 201.314 0.180 20 0 BCADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)CC(N)=O ZINC000336691209 385727446 /nfs/dbraw/zinc/72/74/46/385727446.db2.gz PNWXIPWQGJDPKP-VIFPVBQESA-N 2 2 201.314 0.180 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C12CCC[NH+]1CCC2 ZINC000283338091 385816076 /nfs/dbraw/zinc/81/60/76/385816076.db2.gz HPZBEJVNTZPKGW-UHFFFAOYSA-N 2 2 248.330 0.963 20 0 BCADLP COC(=O)c1ccc(C[NH2+][C@H]2CCC[NH2+]C2)[nH]1 ZINC000414868531 385824607 /nfs/dbraw/zinc/82/46/07/385824607.db2.gz QBCPDOOWLLNDEJ-VIFPVBQESA-N 2 2 237.303 0.643 20 0 BCADLP C[C@H](CNC(N)=[NH2+])[N@@H+]1CCc2sccc2C1 ZINC000261769266 385828998 /nfs/dbraw/zinc/82/89/98/385828998.db2.gz MMJBYWLMNJPCNT-MRVPVSSYSA-N 2 2 238.360 0.978 20 0 BCADLP C[C@H](CNC(N)=[NH2+])[N@H+]1CCc2sccc2C1 ZINC000261769266 385829002 /nfs/dbraw/zinc/82/90/02/385829002.db2.gz MMJBYWLMNJPCNT-MRVPVSSYSA-N 2 2 238.360 0.978 20 0 BCADLP CCC[C@H]([NH3+])C(=O)N(C)CCCn1cc[nH+]c1 ZINC000262159387 385837470 /nfs/dbraw/zinc/83/74/70/385837470.db2.gz ULYIWLWYMJYRSE-NSHDSACASA-N 2 2 238.335 0.859 20 0 BCADLP C[C@@H](C[NH3+])C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000262455914 385849339 /nfs/dbraw/zinc/84/93/39/385849339.db2.gz WNVXTUYRZMWEHZ-JTQLQIEISA-N 2 2 246.314 0.588 20 0 BCADLP COCC[NH2+]CC[NH2+]CC(C)(C)COC ZINC000414867172 385794932 /nfs/dbraw/zinc/79/49/32/385794932.db2.gz BVRPYWQVMGOOFS-UHFFFAOYSA-N 2 2 218.341 0.485 20 0 BCADLP CC[C@H](CCO)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336767879 385929057 /nfs/dbraw/zinc/92/90/57/385929057.db2.gz SVSHPZLBCXAYSI-IJLUTSLNSA-N 2 2 214.353 0.935 20 0 BCADLP CC[C@H](CCO)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336767879 385929062 /nfs/dbraw/zinc/92/90/62/385929062.db2.gz SVSHPZLBCXAYSI-IJLUTSLNSA-N 2 2 214.353 0.935 20 0 BCADLP Cc1cc(NC(=O)[C@H](C)[N@H+](C)CCC[NH3+])on1 ZINC000647849325 385901375 /nfs/dbraw/zinc/90/13/75/385901375.db2.gz PEJBWUGFJWBTRA-VIFPVBQESA-N 2 2 240.307 0.591 20 0 BCADLP Cc1cc(NC(=O)[C@H](C)[N@@H+](C)CCC[NH3+])on1 ZINC000647849325 385901377 /nfs/dbraw/zinc/90/13/77/385901377.db2.gz PEJBWUGFJWBTRA-VIFPVBQESA-N 2 2 240.307 0.591 20 0 BCADLP Cc1nc(N[C@@H](C)C[NH+](C)C)nc(N)[nH+]1 ZINC000308862722 385902820 /nfs/dbraw/zinc/90/28/20/385902820.db2.gz KDFYSMZFGJCECW-LURJTMIESA-N 2 2 210.285 0.124 20 0 BCADLP CCC[NH2+]CC[NH2+][C@@H](C)CC(=O)N(C)C ZINC000414876883 385914570 /nfs/dbraw/zinc/91/45/70/385914570.db2.gz WRCJXLTZKOYKSY-JTQLQIEISA-N 2 2 215.341 0.442 20 0 BCADLP CCC[NH2+]CC[NH2+][C@H](C)Cn1cccn1 ZINC000414876878 385914582 /nfs/dbraw/zinc/91/45/82/385914582.db2.gz WQVUKFBHDWFVAB-LLVKDONJSA-N 2 2 210.325 0.861 20 0 BCADLP Cc1cccc(NC[C@H]2C[NH2+]CCN2C)[nH+]1 ZINC000394725610 385917107 /nfs/dbraw/zinc/91/71/07/385917107.db2.gz DZGQFCVJKIAGLK-LLVKDONJSA-N 2 2 220.320 0.706 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000647926872 385985598 /nfs/dbraw/zinc/98/55/98/385985598.db2.gz PRAHIIQJKOYIIU-NSHDSACASA-N 2 2 241.379 0.960 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@H+](CCc2cn[nH]c2)CCO1 ZINC000309186792 385992946 /nfs/dbraw/zinc/99/29/46/385992946.db2.gz AEZVIBDOLVOCPJ-GXSJLCMTSA-N 2 2 224.308 0.000 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCc2cn[nH]c2)CCO1 ZINC000309186792 385992952 /nfs/dbraw/zinc/99/29/52/385992952.db2.gz AEZVIBDOLVOCPJ-GXSJLCMTSA-N 2 2 224.308 0.000 20 0 BCADLP C([NH2+][C@H]1CCC12CCC2)[C@@H]1C[NH2+]CCO1 ZINC000335048690 385944483 /nfs/dbraw/zinc/94/44/83/385944483.db2.gz BCZALWADDFQQEL-QWRGUYRKSA-N 2 2 210.321 0.897 20 0 BCADLP C([NH2+][C@@H]1CCC12CCC2)[C@@H]1C[NH2+]CCO1 ZINC000335048691 385944573 /nfs/dbraw/zinc/94/45/73/385944573.db2.gz BCZALWADDFQQEL-WDEREUQCSA-N 2 2 210.321 0.897 20 0 BCADLP c1cn(CC[N@@H+]2CC[C@H]3OCC[C@H]3C2)c[nH+]1 ZINC000366764240 385949417 /nfs/dbraw/zinc/94/94/17/385949417.db2.gz CKFAKEOKDODYLZ-NWDGAFQWSA-N 2 2 221.304 0.994 20 0 BCADLP c1cn(CC[N@H+]2CC[C@H]3OCC[C@H]3C2)c[nH+]1 ZINC000366764240 385949424 /nfs/dbraw/zinc/94/94/24/385949424.db2.gz CKFAKEOKDODYLZ-NWDGAFQWSA-N 2 2 221.304 0.994 20 0 BCADLP Cc1cc(NC(=O)NCC2([NH3+])CCC2)cc[nH+]1 ZINC000334827388 385963205 /nfs/dbraw/zinc/96/32/05/385963205.db2.gz ZXFBHBQWTUXATC-UHFFFAOYSA-N 2 2 234.303 0.815 20 0 BCADLP C[C@H](CNC(=O)[C@H](C)C[NH3+])Cn1cc[nH+]c1 ZINC000285791934 385966111 /nfs/dbraw/zinc/96/61/11/385966111.db2.gz OYGZGZVUJMIFCZ-NXEZZACHSA-N 2 2 224.308 0.230 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC(C)(C)F ZINC000638812963 385997521 /nfs/dbraw/zinc/99/75/21/385997521.db2.gz QAQSZPZMKOIEKW-QMMMGPOBSA-N 2 2 219.304 0.130 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@H+](Cc2cccc(N)c2)CCO1 ZINC000647865920 385999311 /nfs/dbraw/zinc/99/93/11/385999311.db2.gz XLGNDNNKNUYMAX-GXFFZTMASA-N 2 2 235.331 0.817 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@@H+](Cc2cccc(N)c2)CCO1 ZINC000647865920 385999316 /nfs/dbraw/zinc/99/93/16/385999316.db2.gz XLGNDNNKNUYMAX-GXFFZTMASA-N 2 2 235.331 0.817 20 0 BCADLP [NH3+]CCCCc1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000309279804 386000604 /nfs/dbraw/zinc/00/06/04/386000604.db2.gz FJPPHTHIFMBYJN-UHFFFAOYSA-N 2 2 220.280 0.331 20 0 BCADLP CC1([NH3+])CC[NH+](CC(=O)NC2CCCC2)CC1 ZINC000647927784 386002289 /nfs/dbraw/zinc/00/22/89/386002289.db2.gz IWRVJAPAYQOXAQ-UHFFFAOYSA-N 2 2 239.363 0.858 20 0 BCADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000336727784 386013862 /nfs/dbraw/zinc/01/38/62/386013862.db2.gz GSBSMQVVWPMWBH-MNOVXSKESA-N 2 2 225.340 0.596 20 0 BCADLP C[C@]1(O)CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000124303795 386018628 /nfs/dbraw/zinc/01/86/28/386018628.db2.gz ICNNTZNGYXGQAH-NSHDSACASA-N 2 2 209.293 0.730 20 0 BCADLP C[C@]1(O)CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000124303795 386018629 /nfs/dbraw/zinc/01/86/29/386018629.db2.gz ICNNTZNGYXGQAH-NSHDSACASA-N 2 2 209.293 0.730 20 0 BCADLP Cn1ncc(Cl)c1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414882734 386021496 /nfs/dbraw/zinc/02/14/96/386021496.db2.gz CGTLJPHQSMYSEN-SECBINFHSA-N 2 2 228.727 0.900 20 0 BCADLP Cc1nc(NC[C@@H](C)C[NH+](C)C)nc(N)[nH+]1 ZINC000309734646 386025504 /nfs/dbraw/zinc/02/55/04/386025504.db2.gz GCCAQVMJYRDFOF-SSDOTTSWSA-N 2 2 224.312 0.372 20 0 BCADLP Cc1nc(N)nc(NC[C@@H](C)C[NH+](C)C)[nH+]1 ZINC000309734646 386025510 /nfs/dbraw/zinc/02/55/10/386025510.db2.gz GCCAQVMJYRDFOF-SSDOTTSWSA-N 2 2 224.312 0.372 20 0 BCADLP CCC[NH2+]CC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000414883586 386028489 /nfs/dbraw/zinc/02/84/89/386028489.db2.gz NNIUPDSZGWYZDE-UHFFFAOYSA-N 2 2 235.331 0.875 20 0 BCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000345833910 386119330 /nfs/dbraw/zinc/11/93/30/386119330.db2.gz BHBNKNUMALVGDF-WISYIIOYSA-N 2 2 239.363 0.441 20 0 BCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000345833910 386119333 /nfs/dbraw/zinc/11/93/33/386119333.db2.gz BHBNKNUMALVGDF-WISYIIOYSA-N 2 2 239.363 0.441 20 0 BCADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000338593830 386069626 /nfs/dbraw/zinc/06/96/26/386069626.db2.gz UXCXYOBGYSBRAW-LLVKDONJSA-N 2 2 241.379 0.975 20 0 BCADLP Cc1cc(NC(=O)N[C@@H](C)C[NH3+])cc[nH+]1 ZINC000415391158 386071341 /nfs/dbraw/zinc/07/13/41/386071341.db2.gz HPVQKJLHWUDZTL-QMMMGPOBSA-N 2 2 208.265 0.281 20 0 BCADLP C[C@@H](C[NH+](C)C)NC(=O)CCc1c[nH+]cn1C ZINC000286870546 386080627 /nfs/dbraw/zinc/08/06/27/386080627.db2.gz DFHHNBAFNRCOQS-JTQLQIEISA-N 2 2 238.335 0.419 20 0 BCADLP Cc1nc(N[C@@H](C)C[N@H+](C)C(C)C)nc(N)[nH+]1 ZINC000310089962 386085375 /nfs/dbraw/zinc/08/53/75/386085375.db2.gz IVFSCHOOSKZZDH-QMMMGPOBSA-N 2 2 238.339 0.903 20 0 BCADLP Cc1nc(N[C@@H](C)C[N@@H+](C)C(C)C)nc(N)[nH+]1 ZINC000310089962 386085379 /nfs/dbraw/zinc/08/53/79/386085379.db2.gz IVFSCHOOSKZZDH-QMMMGPOBSA-N 2 2 238.339 0.903 20 0 BCADLP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[NH2+]C1 ZINC000414887292 386086062 /nfs/dbraw/zinc/08/60/62/386086062.db2.gz QTPHRDVPSIUDMM-SECBINFHSA-N 2 2 214.309 0.527 20 0 BCADLP CC[NH+](CC)C[C@@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000310231774 386169316 /nfs/dbraw/zinc/16/93/16/386169316.db2.gz JSMXZFAUWLNHSD-MRVPVSSYSA-N 2 2 238.339 0.904 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000335230449 386140227 /nfs/dbraw/zinc/14/02/27/386140227.db2.gz VAIFCDPAPYIRIH-VXGBXAGGSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000335230449 386140234 /nfs/dbraw/zinc/14/02/34/386140234.db2.gz VAIFCDPAPYIRIH-VXGBXAGGSA-N 2 2 239.363 0.668 20 0 BCADLP COC[C@@H](CC(C)C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414891309 386140652 /nfs/dbraw/zinc/14/06/52/386140652.db2.gz WONXUSNUBPIFDQ-GHMZBOCLSA-N 2 2 200.326 0.999 20 0 BCADLP NC(=O)c1csc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000347028767 386220278 /nfs/dbraw/zinc/22/02/78/386220278.db2.gz WDUMLUHVFAEPLO-MRVPVSSYSA-N 2 2 239.344 0.628 20 0 BCADLP NC(=O)c1csc(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000347028767 386220286 /nfs/dbraw/zinc/22/02/86/386220286.db2.gz WDUMLUHVFAEPLO-MRVPVSSYSA-N 2 2 239.344 0.628 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NC(C)(C)CC[NH3+] ZINC000638355303 386247007 /nfs/dbraw/zinc/24/70/07/386247007.db2.gz HYAKQSJSTUOGKM-UHFFFAOYSA-N 2 2 224.308 0.504 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)NC(C)(C)CC[NH3+] ZINC000638355303 386247012 /nfs/dbraw/zinc/24/70/12/386247012.db2.gz HYAKQSJSTUOGKM-UHFFFAOYSA-N 2 2 224.308 0.504 20 0 BCADLP CO[C@@H]1CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000336645807 386253565 /nfs/dbraw/zinc/25/35/65/386253565.db2.gz JACFGTGTNDMNIR-LLVKDONJSA-N 2 2 209.293 0.912 20 0 BCADLP CO[C@@H]1CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000336645807 386253567 /nfs/dbraw/zinc/25/35/67/386253567.db2.gz JACFGTGTNDMNIR-LLVKDONJSA-N 2 2 209.293 0.912 20 0 BCADLP Cc1n[nH]c([C@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000647988411 386303801 /nfs/dbraw/zinc/30/38/01/386303801.db2.gz FWXPFLOVJSKIIA-RYUDHWBXSA-N 2 2 249.362 0.902 20 0 BCADLP Cc1n[nH]c([C@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000647988411 386303805 /nfs/dbraw/zinc/30/38/05/386303805.db2.gz FWXPFLOVJSKIIA-RYUDHWBXSA-N 2 2 249.362 0.902 20 0 BCADLP Cc1nc([C@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000647988411 386303808 /nfs/dbraw/zinc/30/38/08/386303808.db2.gz FWXPFLOVJSKIIA-RYUDHWBXSA-N 2 2 249.362 0.902 20 0 BCADLP Cc1nc([C@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000647988411 386303816 /nfs/dbraw/zinc/30/38/16/386303816.db2.gz FWXPFLOVJSKIIA-RYUDHWBXSA-N 2 2 249.362 0.902 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000335261536 386320337 /nfs/dbraw/zinc/32/03/37/386320337.db2.gz ZLUKAYMGPOFGKI-PSASIEDQSA-N 2 2 236.319 0.836 20 0 BCADLP CN(C)c1ncc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000347160471 386263104 /nfs/dbraw/zinc/26/31/04/386263104.db2.gz GZKZMGQZRVOXTQ-NSHDSACASA-N 2 2 249.362 0.713 20 0 BCADLP CN(C)c1ncc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000347160471 386263108 /nfs/dbraw/zinc/26/31/08/386263108.db2.gz GZKZMGQZRVOXTQ-NSHDSACASA-N 2 2 249.362 0.713 20 0 BCADLP Cn1cc[nH+]c1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000347165170 386266900 /nfs/dbraw/zinc/26/69/00/386266900.db2.gz JQTINXDDKRUUME-LLVKDONJSA-N 2 2 220.320 0.746 20 0 BCADLP C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647885716 386278244 /nfs/dbraw/zinc/27/82/44/386278244.db2.gz JBGXYZYKRASAMB-GMTAPVOTSA-N 2 2 248.392 0.349 20 0 BCADLP C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647885716 386278247 /nfs/dbraw/zinc/27/82/47/386278247.db2.gz JBGXYZYKRASAMB-GMTAPVOTSA-N 2 2 248.392 0.349 20 0 BCADLP Cc1ccc(O)c(C[NH2+]C[C@H]([NH3+])C2CC2)n1 ZINC000414903500 386342293 /nfs/dbraw/zinc/34/22/93/386342293.db2.gz ZWHGNTRBHXGCBA-JTQLQIEISA-N 2 2 221.304 0.923 20 0 BCADLP Cn1ncc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000289710654 386344851 /nfs/dbraw/zinc/34/48/51/386344851.db2.gz GIGMZLYJYAWOLE-UHFFFAOYSA-N 2 2 246.318 0.918 20 0 BCADLP CN(C)c1ncc(C[N@H+](C)C[C@@H]2CC[NH2+]C2)cn1 ZINC000647989618 386361347 /nfs/dbraw/zinc/36/13/47/386361347.db2.gz OESLUIOCUNXMNJ-LLVKDONJSA-N 2 2 249.362 0.584 20 0 BCADLP CN(C)c1ncc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)cn1 ZINC000647989618 386361350 /nfs/dbraw/zinc/36/13/50/386361350.db2.gz OESLUIOCUNXMNJ-LLVKDONJSA-N 2 2 249.362 0.584 20 0 BCADLP CCC[C@@]1(C)C(=O)NCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647989702 386361662 /nfs/dbraw/zinc/36/16/62/386361662.db2.gz YYZPENTVOOFJQT-YPMHNXCESA-N 2 2 239.363 0.587 20 0 BCADLP CCC[C@@]1(C)C(=O)NCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647989702 386361664 /nfs/dbraw/zinc/36/16/64/386361664.db2.gz YYZPENTVOOFJQT-YPMHNXCESA-N 2 2 239.363 0.587 20 0 BCADLP C[NH+](C)C[C@@H]1C[N@H+](C[C@@H]2CCCOC2)CCO1 ZINC000336696129 386374553 /nfs/dbraw/zinc/37/45/53/386374553.db2.gz JTTPYSNPGKYDDW-QWHCGFSZSA-N 2 2 242.363 0.675 20 0 BCADLP C[NH+](C)C[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)CCO1 ZINC000336696129 386374557 /nfs/dbraw/zinc/37/45/57/386374557.db2.gz JTTPYSNPGKYDDW-QWHCGFSZSA-N 2 2 242.363 0.675 20 0 BCADLP Cc1cc(C[N@H+](CC[NH3+])CCO)ccc1F ZINC000414910562 386442894 /nfs/dbraw/zinc/44/28/94/386442894.db2.gz HJWMDGULIHHCHX-UHFFFAOYSA-N 2 2 226.295 0.887 20 0 BCADLP Cc1cc(C[N@@H+](CC[NH3+])CCO)ccc1F ZINC000414910562 386442897 /nfs/dbraw/zinc/44/28/97/386442897.db2.gz HJWMDGULIHHCHX-UHFFFAOYSA-N 2 2 226.295 0.887 20 0 BCADLP C[NH+](C)C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000336716656 386447465 /nfs/dbraw/zinc/44/74/65/386447465.db2.gz VYOFXLHLNCOTTG-UHFFFAOYSA-N 2 2 241.379 0.345 20 0 BCADLP C[NH+](C)C1CC[NH+](CCN2CCOCC2)CC1 ZINC000336716656 386447470 /nfs/dbraw/zinc/44/74/70/386447470.db2.gz VYOFXLHLNCOTTG-UHFFFAOYSA-N 2 2 241.379 0.345 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC[NH+](C)C ZINC000166087974 386395214 /nfs/dbraw/zinc/39/52/14/386395214.db2.gz MUAZWAJHSFOMFR-VXGBXAGGSA-N 3 2 229.368 0.295 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)CC(=O)NC1CC1 ZINC000290148832 386398235 /nfs/dbraw/zinc/39/82/35/386398235.db2.gz WKXVOZDLZBVTBL-UHFFFAOYSA-N 2 2 236.319 0.173 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)CC(=O)NC1CC1 ZINC000290148832 386398241 /nfs/dbraw/zinc/39/82/41/386398241.db2.gz WKXVOZDLZBVTBL-UHFFFAOYSA-N 2 2 236.319 0.173 20 0 BCADLP COC(=O)[C@H](C)[N@H+](CCC[NH3+])C1CCC1 ZINC000414758246 386407389 /nfs/dbraw/zinc/40/73/89/386407389.db2.gz MLDDFMXJLOTYSC-VIFPVBQESA-N 2 2 214.309 0.751 20 0 BCADLP COC(=O)[C@H](C)[N@@H+](CCC[NH3+])C1CCC1 ZINC000414758246 386407393 /nfs/dbraw/zinc/40/73/93/386407393.db2.gz MLDDFMXJLOTYSC-VIFPVBQESA-N 2 2 214.309 0.751 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCCO1 ZINC000166089010 386411814 /nfs/dbraw/zinc/41/18/14/386411814.db2.gz WBNMYBCBMQGFOT-UTUOFQBUSA-N 2 2 228.336 0.522 20 0 BCADLP CC[C@H](C)[N@H+](CCC[NH3+])CC(=O)OC ZINC000414760404 386416056 /nfs/dbraw/zinc/41/60/56/386416056.db2.gz YNWXAQFYNDUWIB-VIFPVBQESA-N 2 2 202.298 0.609 20 0 BCADLP CC[C@H](C)[N@@H+](CCC[NH3+])CC(=O)OC ZINC000414760404 386416059 /nfs/dbraw/zinc/41/60/59/386416059.db2.gz YNWXAQFYNDUWIB-VIFPVBQESA-N 2 2 202.298 0.609 20 0 BCADLP CC[NH+](CC)CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000299236394 386428458 /nfs/dbraw/zinc/42/84/58/386428458.db2.gz HIJPXRCJYOMNKQ-NSHDSACASA-N 2 2 238.335 0.730 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000299569259 386467920 /nfs/dbraw/zinc/46/79/20/386467920.db2.gz TYPWTGDRTDZLPE-WDEREUQCSA-N 2 2 236.319 0.482 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC000299569259 386467925 /nfs/dbraw/zinc/46/79/25/386467925.db2.gz TYPWTGDRTDZLPE-WDEREUQCSA-N 2 2 236.319 0.482 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CCn1cc[nH+]c1 ZINC000299647969 386478571 /nfs/dbraw/zinc/47/85/71/386478571.db2.gz KCNXVNXZVIEPFJ-NSHDSACASA-N 2 2 247.302 0.675 20 0 BCADLP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415044417 386528953 /nfs/dbraw/zinc/52/89/53/386528953.db2.gz VDZNMZDYHJTLEP-JCIQBVFBSA-N 3 2 209.337 0.324 20 0 BCADLP CC[C@H](Cn1cncn1)[NH2+][C@H](C)C[NH+](C)C ZINC000336751116 386489137 /nfs/dbraw/zinc/48/91/37/386489137.db2.gz ZYLDQRLQWMTVMD-GHMZBOCLSA-N 2 2 225.340 0.596 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000335432645 386489329 /nfs/dbraw/zinc/48/93/29/386489329.db2.gz BTEHYMJFYFXZDU-ONGXEEELSA-N 2 2 244.298 0.896 20 0 BCADLP C[N@@H+]1CCN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000519560782 386494773 /nfs/dbraw/zinc/49/47/73/386494773.db2.gz VFBFJQWWTGOYHX-UHFFFAOYSA-N 2 2 236.319 0.436 20 0 BCADLP C[N@H+]1CCN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000519560782 386494777 /nfs/dbraw/zinc/49/47/77/386494777.db2.gz VFBFJQWWTGOYHX-UHFFFAOYSA-N 2 2 236.319 0.436 20 0 BCADLP CN(CC[NH+](C)C)c1[nH+]cnc2[nH]ccc21 ZINC000267118544 386496587 /nfs/dbraw/zinc/49/65/87/386496587.db2.gz ZZRCMGRECVUXQN-UHFFFAOYSA-N 2 2 219.292 0.956 20 0 BCADLP Cn1ccc(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)cc1=O ZINC000647897955 386498132 /nfs/dbraw/zinc/49/81/32/386498132.db2.gz ZDVCTUDKHTZFIV-ZDUSSCGKSA-N 2 2 247.342 0.712 20 0 BCADLP Cn1ccc(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)cc1=O ZINC000647897955 386498134 /nfs/dbraw/zinc/49/81/34/386498134.db2.gz ZDVCTUDKHTZFIV-ZDUSSCGKSA-N 2 2 247.342 0.712 20 0 BCADLP COCC[C@H]1COCC[N@@H+]1CCn1cc[nH+]c1 ZINC000291254758 386530061 /nfs/dbraw/zinc/53/00/61/386530061.db2.gz OEIGWMRNPNNWQH-LBPRGKRZSA-N 2 2 239.319 0.620 20 0 BCADLP COCC[C@H]1COCC[N@H+]1CCn1cc[nH+]c1 ZINC000291254758 386530065 /nfs/dbraw/zinc/53/00/65/386530065.db2.gz OEIGWMRNPNNWQH-LBPRGKRZSA-N 2 2 239.319 0.620 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000267291431 386525062 /nfs/dbraw/zinc/52/50/62/386525062.db2.gz XXAFWWVNZPBORA-LBPRGKRZSA-N 2 2 249.358 0.972 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000267291431 386525068 /nfs/dbraw/zinc/52/50/68/386525068.db2.gz XXAFWWVNZPBORA-LBPRGKRZSA-N 2 2 249.358 0.972 20 0 BCADLP C[C@H]([NH3+])C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000335452282 386526630 /nfs/dbraw/zinc/52/66/30/386526630.db2.gz NDOHBSHLQMEEPD-VIFPVBQESA-N 2 2 236.319 0.525 20 0 BCADLP c1cc2c(c(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)c1)OCO2 ZINC000415041757 386527632 /nfs/dbraw/zinc/52/76/32/386527632.db2.gz RQNIESOGYQHMNR-IAZYJMLFSA-N 2 2 232.283 0.723 20 0 BCADLP CC(C)C[C@H]([NH3+])C[NH2+]Cc1ccnn1C ZINC000415083001 386593765 /nfs/dbraw/zinc/59/37/65/386593765.db2.gz MPHNUVIGGJGJGJ-JTQLQIEISA-N 2 2 210.325 0.883 20 0 BCADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000414802318 386594825 /nfs/dbraw/zinc/59/48/25/386594825.db2.gz MRVIPYMXZGTSPO-SRVKXCTJSA-N 3 2 211.353 0.846 20 0 BCADLP CN(C)c1ncc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cn1 ZINC000415045209 386531607 /nfs/dbraw/zinc/53/16/07/386531607.db2.gz SZNZGENYEJILHJ-NSHDSACASA-N 2 2 249.362 0.773 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000399385786 386539436 /nfs/dbraw/zinc/53/94/36/386539436.db2.gz QDLDQPQVVSXYSO-GZMMTYOYSA-N 2 2 238.335 0.954 20 0 BCADLP Cc1cc(CNC(=O)[C@H](C)[NH3+])cc(C)[nH+]1 ZINC000335461716 386542584 /nfs/dbraw/zinc/54/25/84/386542584.db2.gz MIOGXSNAHOCLOA-VIFPVBQESA-N 2 2 207.277 0.662 20 0 BCADLP CC(C)[C@H](O)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000308530667 386548188 /nfs/dbraw/zinc/54/81/88/386548188.db2.gz RSMGKHSLOBWJIC-OUAUKWLOSA-N 2 2 200.326 0.543 20 0 BCADLP CC(C)[C@H](O)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000308530667 386548193 /nfs/dbraw/zinc/54/81/93/386548193.db2.gz RSMGKHSLOBWJIC-OUAUKWLOSA-N 2 2 200.326 0.543 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CC(=O)N(C)C1CC1 ZINC000063196348 386552842 /nfs/dbraw/zinc/55/28/42/386552842.db2.gz LKZALGKHJYGGIM-JQWIXIFHSA-N 2 2 239.363 0.809 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CC(=O)N(C)C1CC1 ZINC000063196348 386552848 /nfs/dbraw/zinc/55/28/48/386552848.db2.gz LKZALGKHJYGGIM-JQWIXIFHSA-N 2 2 239.363 0.809 20 0 BCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000519772704 386555377 /nfs/dbraw/zinc/55/53/77/386555377.db2.gz RWSXZAXUDBZXLJ-BDAKNGLRSA-N 2 2 239.323 0.345 20 0 BCADLP NC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000123448519 386555849 /nfs/dbraw/zinc/55/58/49/386555849.db2.gz MMJNDYISZOFIEI-GFCCVEGCSA-N 2 2 233.315 0.709 20 0 BCADLP NC(=O)c1cccc(C[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000123448519 386555852 /nfs/dbraw/zinc/55/58/52/386555852.db2.gz MMJNDYISZOFIEI-GFCCVEGCSA-N 2 2 233.315 0.709 20 0 BCADLP CO[C@@H]1COC[C@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000519821363 386563672 /nfs/dbraw/zinc/56/36/72/386563672.db2.gz DEVHRSFPQYAWQI-CHWSQXEVSA-N 2 2 236.315 0.936 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000519830996 386565159 /nfs/dbraw/zinc/56/51/59/386565159.db2.gz ZBUAEQQKHIGLRY-STQMWFEESA-N 3 2 225.380 0.917 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000519830996 386565164 /nfs/dbraw/zinc/56/51/64/386565164.db2.gz ZBUAEQQKHIGLRY-STQMWFEESA-N 3 2 225.380 0.917 20 0 BCADLP Cc1ncc(C[NH2+]CCC[NH+]2CCC2)cn1 ZINC000519833060 386567732 /nfs/dbraw/zinc/56/77/32/386567732.db2.gz KYUFOGALWXXZDL-UHFFFAOYSA-N 2 2 220.320 0.970 20 0 BCADLP Cc1ccc(O)c(C[NH2+][C@H](C[NH3+])C2CC2)n1 ZINC000414796855 386570366 /nfs/dbraw/zinc/57/03/66/386570366.db2.gz IBZKGAZUTJTHOT-SNVBAGLBSA-N 2 2 221.304 0.923 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414925116 386628925 /nfs/dbraw/zinc/62/89/25/386628925.db2.gz JHHPLGLIROHMOZ-WOPDTQHZSA-N 3 2 211.353 0.716 20 0 BCADLP C[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000415138976 386631653 /nfs/dbraw/zinc/63/16/53/386631653.db2.gz ZJULGMKNBGSMDW-UPJWGTAASA-N 3 2 225.380 0.903 20 0 BCADLP C[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000415138976 386631659 /nfs/dbraw/zinc/63/16/59/386631659.db2.gz ZJULGMKNBGSMDW-UPJWGTAASA-N 3 2 225.380 0.903 20 0 BCADLP CO[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336646665 386639928 /nfs/dbraw/zinc/63/99/28/386639928.db2.gz DYCWUPLXUGGYHJ-VXGBXAGGSA-N 2 2 228.336 0.162 20 0 BCADLP CO[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336646665 386639931 /nfs/dbraw/zinc/63/99/31/386639931.db2.gz DYCWUPLXUGGYHJ-VXGBXAGGSA-N 2 2 228.336 0.162 20 0 BCADLP CO[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336646665 386639936 /nfs/dbraw/zinc/63/99/36/386639936.db2.gz DYCWUPLXUGGYHJ-VXGBXAGGSA-N 2 2 228.336 0.162 20 0 BCADLP CO[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336646665 386639939 /nfs/dbraw/zinc/63/99/39/386639939.db2.gz DYCWUPLXUGGYHJ-VXGBXAGGSA-N 2 2 228.336 0.162 20 0 BCADLP CO[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336646663 386639979 /nfs/dbraw/zinc/63/99/79/386639979.db2.gz DYCWUPLXUGGYHJ-NWDGAFQWSA-N 2 2 228.336 0.162 20 0 BCADLP CO[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336646663 386639985 /nfs/dbraw/zinc/63/99/85/386639985.db2.gz DYCWUPLXUGGYHJ-NWDGAFQWSA-N 2 2 228.336 0.162 20 0 BCADLP CO[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000336646663 386639990 /nfs/dbraw/zinc/63/99/90/386639990.db2.gz DYCWUPLXUGGYHJ-NWDGAFQWSA-N 2 2 228.336 0.162 20 0 BCADLP CO[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336646663 386639994 /nfs/dbraw/zinc/63/99/94/386639994.db2.gz DYCWUPLXUGGYHJ-NWDGAFQWSA-N 2 2 228.336 0.162 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH+](C)C ZINC000279220241 386649436 /nfs/dbraw/zinc/64/94/36/386649436.db2.gz NKXHDVCIWOAXGE-UHFFFAOYSA-N 2 2 224.308 0.329 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)NCCC[NH+](C)C ZINC000279220241 386649442 /nfs/dbraw/zinc/64/94/42/386649442.db2.gz NKXHDVCIWOAXGE-UHFFFAOYSA-N 2 2 224.308 0.329 20 0 BCADLP COC(=O)c1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)[nH]1 ZINC000414803909 386605904 /nfs/dbraw/zinc/60/59/04/386605904.db2.gz XBTSNXZOICHQRF-SNVBAGLBSA-N 2 2 239.319 0.874 20 0 BCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cccc(O)c1 ZINC000228723463 386606043 /nfs/dbraw/zinc/60/60/43/386606043.db2.gz RIRIZDGXTBTXAH-CYBMUJFWSA-N 2 2 238.331 0.794 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH+](C2CC2)CC1 ZINC000278954950 386611051 /nfs/dbraw/zinc/61/10/51/386611051.db2.gz VZOFHZQXINFQEL-UHFFFAOYSA-N 2 2 248.330 0.567 20 0 BCADLP O=C1[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C[C@H]2CCCCN12 ZINC000415095843 386614955 /nfs/dbraw/zinc/61/49/55/386614955.db2.gz OHVSKZRALIKSLD-IJLUTSLNSA-N 2 2 237.347 0.481 20 0 BCADLP Cc1ccc(CCC[NH2+]C[C@@H]2C[NH2+]CCO2)cn1 ZINC000415099007 386615677 /nfs/dbraw/zinc/61/56/77/386615677.db2.gz XFSPJXSFBYNHQL-CQSZACIVSA-N 2 2 249.358 0.901 20 0 BCADLP C[N@H+](CCC[NH+]1CCCC1)CC(=O)N1CCC1 ZINC000337221393 386660664 /nfs/dbraw/zinc/66/06/64/386660664.db2.gz DWOUSCPFJMRVDH-UHFFFAOYSA-N 2 2 239.363 0.636 20 0 BCADLP C[N@@H+](CCC[NH+]1CCCC1)CC(=O)N1CCC1 ZINC000337221393 386660667 /nfs/dbraw/zinc/66/06/67/386660667.db2.gz DWOUSCPFJMRVDH-UHFFFAOYSA-N 2 2 239.363 0.636 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC000329419236 386667784 /nfs/dbraw/zinc/66/77/84/386667784.db2.gz GXGQSZPTIJHGNA-SNVBAGLBSA-N 2 2 246.318 0.538 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC000329419236 386667792 /nfs/dbraw/zinc/66/77/92/386667792.db2.gz GXGQSZPTIJHGNA-SNVBAGLBSA-N 2 2 246.318 0.538 20 0 BCADLP C[NH2+]CCNCc1c[nH+]c2c(C)cccn12 ZINC000414818885 386668581 /nfs/dbraw/zinc/66/85/81/386668581.db2.gz GBSHZNIUEHJWTK-UHFFFAOYSA-N 2 2 218.304 0.952 20 0 BCADLP Cn1c[nH+]cc1CN1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000335528187 386673674 /nfs/dbraw/zinc/67/36/74/386673674.db2.gz BRTAJGSNQJQBGZ-WCQYABFASA-N 2 2 234.347 0.946 20 0 BCADLP Cn1c[nH+]cc1CN1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000335528187 386673678 /nfs/dbraw/zinc/67/36/78/386673678.db2.gz BRTAJGSNQJQBGZ-WCQYABFASA-N 2 2 234.347 0.946 20 0 BCADLP Cc1[nH]c(C(=O)NCCC[NH2+]C2CC2)c[nH+]1 ZINC000520585253 386697932 /nfs/dbraw/zinc/69/79/32/386697932.db2.gz KIKOZFOGHCAHQX-UHFFFAOYSA-N 2 2 222.292 0.590 20 0 BCADLP CC[NH2+]CC[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000414835523 386728839 /nfs/dbraw/zinc/72/88/39/386728839.db2.gz UYUQAEZVZLRCCI-UHFFFAOYSA-N 2 2 235.331 0.745 20 0 BCADLP C[C@H]([NH3+])C[N@H+](CCO)Cc1ccccc1 ZINC000206698973 386729500 /nfs/dbraw/zinc/72/95/00/386729500.db2.gz POKJOZZZVNAWAI-NSHDSACASA-N 2 2 208.305 0.828 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](CCO)Cc1ccccc1 ZINC000206698973 386729506 /nfs/dbraw/zinc/72/95/06/386729506.db2.gz POKJOZZZVNAWAI-NSHDSACASA-N 2 2 208.305 0.828 20 0 BCADLP CN(C)c1ccc(CNC(=O)[C@H]2CC[NH2+]C2)c[nH+]1 ZINC000269234666 386763185 /nfs/dbraw/zinc/76/31/85/386763185.db2.gz MCGWSJCOBCOFDV-NSHDSACASA-N 2 2 248.330 0.373 20 0 BCADLP CC[C@H]([NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000269233350 386764488 /nfs/dbraw/zinc/76/44/88/386764488.db2.gz KDPNIKNAFOKSFK-JTQLQIEISA-N 2 2 232.287 0.688 20 0 BCADLP CSCC[C@H](CO)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336664422 386764722 /nfs/dbraw/zinc/76/47/22/386764722.db2.gz CQXBSXTVDZJVAP-MXWKQRLJSA-N 2 2 232.393 0.640 20 0 BCADLP CSCC[C@H](CO)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336664422 386764726 /nfs/dbraw/zinc/76/47/26/386764726.db2.gz CQXBSXTVDZJVAP-MXWKQRLJSA-N 2 2 232.393 0.640 20 0 BCADLP Cc1cn2cc(NC(=O)[C@H](C)[NH3+])ccc2[nH+]1 ZINC000269245022 386766769 /nfs/dbraw/zinc/76/67/69/386766769.db2.gz LORIXQFCOIAGPT-QMMMGPOBSA-N 2 2 218.260 0.928 20 0 BCADLP CC[C@H]([NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269240780 386767484 /nfs/dbraw/zinc/76/74/84/386767484.db2.gz JAUYPVDIHPGMHD-UWVGGRQHSA-N 2 2 236.319 0.853 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CC(C)(C)C(=O)NC)[C@@H](C)C1 ZINC000344821723 386780171 /nfs/dbraw/zinc/78/01/71/386780171.db2.gz CAMZSWFCNUEMTJ-QWRGUYRKSA-N 2 2 241.379 0.688 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]CC(C)(C)C(=O)NC)[C@@H](C)C1 ZINC000344821723 386780181 /nfs/dbraw/zinc/78/01/81/386780181.db2.gz CAMZSWFCNUEMTJ-QWRGUYRKSA-N 2 2 241.379 0.688 20 0 BCADLP COc1cc(C)[nH+]c(CN[C@@H](C)C[NH3+])c1 ZINC000414934730 386801358 /nfs/dbraw/zinc/80/13/58/386801358.db2.gz AHWQQGMKTNGMTK-VIFPVBQESA-N 2 2 209.293 0.835 20 0 BCADLP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(=O)[nH]n1 ZINC000293344176 386807770 /nfs/dbraw/zinc/80/77/70/386807770.db2.gz GRWKKXLZTZVLDP-VHSXEESVSA-N 2 2 238.335 0.618 20 0 BCADLP C[N@H+](CC(=O)NC1CCCCC1)C1CC([NH3+])C1 ZINC000395040214 386808697 /nfs/dbraw/zinc/80/86/97/386808697.db2.gz SNPLFZCYYSZEFL-UHFFFAOYSA-N 2 2 239.363 0.857 20 0 BCADLP C[N@@H+](CC(=O)NC1CCCCC1)C1CC([NH3+])C1 ZINC000395040214 386808705 /nfs/dbraw/zinc/80/87/05/386808705.db2.gz SNPLFZCYYSZEFL-UHFFFAOYSA-N 2 2 239.363 0.857 20 0 BCADLP C[NH+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000330689719 386829569 /nfs/dbraw/zinc/82/95/69/386829569.db2.gz AGQOWGPXPRLKSY-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP C[N@H+](CCCCCO)C1CC[NH+](CCO)CC1 ZINC000357720571 386834940 /nfs/dbraw/zinc/83/49/40/386834940.db2.gz HKSYXWMRPCRFEP-UHFFFAOYSA-N 2 2 244.379 0.538 20 0 BCADLP C[N@@H+](CCCCCO)C1CC[NH+](CCO)CC1 ZINC000357720571 386834948 /nfs/dbraw/zinc/83/49/48/386834948.db2.gz HKSYXWMRPCRFEP-UHFFFAOYSA-N 2 2 244.379 0.538 20 0 BCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000357733280 386837347 /nfs/dbraw/zinc/83/73/47/386837347.db2.gz DQFYECHZPAWHOI-QWRGUYRKSA-N 2 2 239.363 0.537 20 0 BCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000357733280 386837350 /nfs/dbraw/zinc/83/73/50/386837350.db2.gz DQFYECHZPAWHOI-QWRGUYRKSA-N 2 2 239.363 0.537 20 0 BCADLP c1[nH+]cn2c1C[N@H+](C[C@@H]1CCOC1)CC2 ZINC000647939336 386841571 /nfs/dbraw/zinc/84/15/71/386841571.db2.gz KHPDOLGEIFICDW-JTQLQIEISA-N 2 2 207.277 0.735 20 0 BCADLP c1[nH+]cn2c1C[N@@H+](C[C@@H]1CCOC1)CC2 ZINC000647939336 386841573 /nfs/dbraw/zinc/84/15/73/386841573.db2.gz KHPDOLGEIFICDW-JTQLQIEISA-N 2 2 207.277 0.735 20 0 BCADLP O=C1CC[C@@H]([NH2+]Cc2c[nH+]c[nH]2)[C@H](C2CC2)N1 ZINC000341241841 386859330 /nfs/dbraw/zinc/85/93/30/386859330.db2.gz ZZMABBJMGAXAHW-PWSUYJOCSA-N 2 2 234.303 0.557 20 0 BCADLP COc1cc2c(cc1C[NH2+][C@H](C)C[NH3+])OCO2 ZINC000414939644 386860838 /nfs/dbraw/zinc/86/08/38/386860838.db2.gz ZDRZJOZSFACCFG-MRVPVSSYSA-N 2 2 238.287 0.861 20 0 BCADLP CO[C@@H]1CC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000300043101 386872679 /nfs/dbraw/zinc/87/26/79/386872679.db2.gz USNMBECRVDPUMK-MRVPVSSYSA-N 2 2 240.307 0.484 20 0 BCADLP CO[C@@H]1CC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000300043101 386872685 /nfs/dbraw/zinc/87/26/85/386872685.db2.gz USNMBECRVDPUMK-MRVPVSSYSA-N 2 2 240.307 0.484 20 0 BCADLP Oc1cccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000334833326 386873093 /nfs/dbraw/zinc/87/30/93/386873093.db2.gz PQLPDXOIUMGKIA-GDNZZTSVSA-N 2 2 204.273 0.700 20 0 BCADLP Cc1noc(CCC[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC000358117093 386894891 /nfs/dbraw/zinc/89/48/91/386894891.db2.gz ADOAAAGGHQETBD-MWLCHTKSSA-N 2 2 238.335 0.850 20 0 BCADLP Cc1noc(CCC[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)n1 ZINC000358117093 386894896 /nfs/dbraw/zinc/89/48/96/386894896.db2.gz ADOAAAGGHQETBD-MWLCHTKSSA-N 2 2 238.335 0.850 20 0 BCADLP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000358024573 386881365 /nfs/dbraw/zinc/88/13/65/386881365.db2.gz RCIWNMQHSRLFHV-IJLUTSLNSA-N 2 2 239.363 0.537 20 0 BCADLP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000358024573 386881367 /nfs/dbraw/zinc/88/13/67/386881367.db2.gz RCIWNMQHSRLFHV-IJLUTSLNSA-N 2 2 239.363 0.537 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000334861624 386915540 /nfs/dbraw/zinc/91/55/40/386915540.db2.gz DSHZGEMVJBJBEG-GXSJLCMTSA-N 2 2 208.309 0.508 20 0 BCADLP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000334849604 386897833 /nfs/dbraw/zinc/89/78/33/386897833.db2.gz XEBMAEPMNZEWKF-NXEZZACHSA-N 3 2 233.306 0.573 20 0 BCADLP CC[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)[NH+](C)C ZINC000335760904 386898109 /nfs/dbraw/zinc/89/81/09/386898109.db2.gz SWGOYPXHQUUMSQ-QWRGUYRKSA-N 2 2 227.352 0.489 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000334853550 386904958 /nfs/dbraw/zinc/90/49/58/386904958.db2.gz XNVPNDZLQZUNPL-NSHDSACASA-N 2 2 221.304 0.648 20 0 BCADLP [NH3+]C1CCC(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000335765911 386908725 /nfs/dbraw/zinc/90/87/25/386908725.db2.gz OHKANWXXSPQUMM-AMDVSUOASA-N 2 2 247.289 0.370 20 0 BCADLP [NH3+]CCC[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000334860427 386913023 /nfs/dbraw/zinc/91/30/23/386913023.db2.gz SJAQZVMVNQXODF-ZJUUUORDSA-N 2 2 211.309 0.078 20 0 BCADLP [NH3+]CCC[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000334860427 386913026 /nfs/dbraw/zinc/91/30/26/386913026.db2.gz SJAQZVMVNQXODF-ZJUUUORDSA-N 2 2 211.309 0.078 20 0 BCADLP CC(C)([NH3+])C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000335774016 386924309 /nfs/dbraw/zinc/92/43/09/386924309.db2.gz RNTDXINYYMHESE-UHFFFAOYSA-N 2 2 239.363 0.811 20 0 BCADLP CC(=O)NCCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336762454 386926537 /nfs/dbraw/zinc/92/65/37/386926537.db2.gz ODZTWIUHIUVITH-KOLCDFICSA-N 2 2 213.325 0.052 20 0 BCADLP CC(=O)NCCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336762454 386926539 /nfs/dbraw/zinc/92/65/39/386926539.db2.gz ODZTWIUHIUVITH-KOLCDFICSA-N 2 2 213.325 0.052 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccnc1 ZINC000358319269 386932971 /nfs/dbraw/zinc/93/29/71/386932971.db2.gz GGYQARVLLNHTLY-GFCCVEGCSA-N 2 2 248.330 0.833 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+]1CCC(=O)Nc1cccnc1 ZINC000358319269 386932972 /nfs/dbraw/zinc/93/29/72/386932972.db2.gz GGYQARVLLNHTLY-GFCCVEGCSA-N 2 2 248.330 0.833 20 0 BCADLP Cn1cc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cn1 ZINC000334873284 386934416 /nfs/dbraw/zinc/93/44/16/386934416.db2.gz GJAFZFQMUWGQHG-JTQLQIEISA-N 2 2 208.309 0.650 20 0 BCADLP Cn1cc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cn1 ZINC000334873294 386935180 /nfs/dbraw/zinc/93/51/80/386935180.db2.gz GJAFZFQMUWGQHG-SNVBAGLBSA-N 2 2 208.309 0.650 20 0 BCADLP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NC1=[NH+]CCS1 ZINC000368104305 386941308 /nfs/dbraw/zinc/94/13/08/386941308.db2.gz DROBGEQQQSUXKM-DTWKUNHWSA-N 2 2 241.360 0.840 20 0 BCADLP C[C@@H]1CC[N@H+](Cc2cc[nH]n2)C[C@@H]1C[NH3+] ZINC000334818307 386944947 /nfs/dbraw/zinc/94/49/47/386944947.db2.gz CNHHIUJEORMNER-ZJUUUORDSA-N 2 2 208.309 0.826 20 0 BCADLP C[C@@H]1CC[N@@H+](Cc2cc[nH]n2)C[C@@H]1C[NH3+] ZINC000334818307 386944952 /nfs/dbraw/zinc/94/49/52/386944952.db2.gz CNHHIUJEORMNER-ZJUUUORDSA-N 2 2 208.309 0.826 20 0 BCADLP Cc1cc(NC(=O)NC[C@@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000334822194 386952496 /nfs/dbraw/zinc/95/24/96/386952496.db2.gz CATFVGDRIXZAQQ-LLVKDONJSA-N 2 2 248.330 0.933 20 0 BCADLP Cc1cc(NC(=O)N2CCC[C@@H]([NH3+])C2)cc[nH+]1 ZINC000334823428 386953740 /nfs/dbraw/zinc/95/37/40/386953740.db2.gz IBCNORCYTCIQIG-SNVBAGLBSA-N 2 2 234.303 0.767 20 0 BCADLP Cc1cc(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc[nH+]1 ZINC000334826089 386957965 /nfs/dbraw/zinc/95/79/65/386957965.db2.gz RSABNMYZKYJOJW-JOYOIKCWSA-N 2 2 248.330 0.931 20 0 BCADLP Cc1cc(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc[nH+]1 ZINC000334826085 386959238 /nfs/dbraw/zinc/95/92/38/386959238.db2.gz RSABNMYZKYJOJW-CABZTGNLSA-N 2 2 248.330 0.931 20 0 BCADLP c1cn(CCC[N@@H+]2CCO[C@H]3C[C@H]32)c[nH+]1 ZINC000368330538 386960549 /nfs/dbraw/zinc/96/05/49/386960549.db2.gz MDEVRFJZLNBAPG-MNOVXSKESA-N 2 2 207.277 0.746 20 0 BCADLP c1cn(CCC[N@H+]2CCO[C@H]3C[C@H]32)c[nH+]1 ZINC000368330538 386960556 /nfs/dbraw/zinc/96/05/56/386960556.db2.gz MDEVRFJZLNBAPG-MNOVXSKESA-N 2 2 207.277 0.746 20 0 BCADLP O=C1CC[C@H]([NH2+]CCn2cc[nH+]c2)[C@@H](C2CC2)N1 ZINC000368500847 386981665 /nfs/dbraw/zinc/98/16/65/386981665.db2.gz YQNDAYGJSKVXAT-WCQYABFASA-N 2 2 248.330 0.530 20 0 BCADLP Cc1cc(NC(=O)N2CCC[NH2+]CC2)cc[nH+]1 ZINC000334822241 386951226 /nfs/dbraw/zinc/95/12/26/386951226.db2.gz DAKXXAHYEPJIMI-UHFFFAOYSA-N 2 2 234.303 0.639 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000334822413 386951617 /nfs/dbraw/zinc/95/16/17/386951617.db2.gz SHJGKFDBJPZCDU-BXKDBHETSA-N 2 2 248.330 0.931 20 0 BCADLP Cc1cc(NC(=O)NCC2=CC[NH2+]CC2)cc[nH+]1 ZINC000334822139 386952258 /nfs/dbraw/zinc/95/22/58/386952258.db2.gz BKULJXQJRWMMJS-UHFFFAOYSA-N 2 2 246.314 0.853 20 0 BCADLP C[N@H+](Cc1ccc(C(N)=O)cc1)[C@@H](C[NH3+])C1CC1 ZINC000160081014 387042119 /nfs/dbraw/zinc/04/21/19/387042119.db2.gz DHCDCHXQZBDLJL-ZDUSSCGKSA-N 2 2 247.342 0.955 20 0 BCADLP C[N@@H+](Cc1ccc(C(N)=O)cc1)[C@@H](C[NH3+])C1CC1 ZINC000160081014 387042124 /nfs/dbraw/zinc/04/21/24/387042124.db2.gz DHCDCHXQZBDLJL-ZDUSSCGKSA-N 2 2 247.342 0.955 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000369735328 387064853 /nfs/dbraw/zinc/06/48/53/387064853.db2.gz DZLZONQCFNQNPF-QWRGUYRKSA-N 2 2 227.352 0.666 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000369735328 387064857 /nfs/dbraw/zinc/06/48/57/387064857.db2.gz DZLZONQCFNQNPF-QWRGUYRKSA-N 2 2 227.352 0.666 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417398876 387016908 /nfs/dbraw/zinc/01/69/08/387016908.db2.gz IEPIHZNLKJDPJJ-YRRQLQLVSA-N 2 2 224.348 0.972 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417398876 387016911 /nfs/dbraw/zinc/01/69/11/387016911.db2.gz IEPIHZNLKJDPJJ-YRRQLQLVSA-N 2 2 224.348 0.972 20 0 BCADLP c1nc2cnccn2c1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000333196601 387021039 /nfs/dbraw/zinc/02/10/39/387021039.db2.gz WIVQLJGPUHGZBE-LLVKDONJSA-N 2 2 245.330 0.961 20 0 BCADLP Cn1c[nH+]cc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368965806 387022301 /nfs/dbraw/zinc/02/23/01/387022301.db2.gz MFFHNUXCWRQXBF-DLOVCJGASA-N 2 2 248.330 0.506 20 0 BCADLP Cn1c[nH+]cc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368965806 387022305 /nfs/dbraw/zinc/02/23/05/387022305.db2.gz MFFHNUXCWRQXBF-DLOVCJGASA-N 2 2 248.330 0.506 20 0 BCADLP CCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246316707 387071104 /nfs/dbraw/zinc/07/11/04/387071104.db2.gz AFNNDJJHIPBLQD-WDEREUQCSA-N 2 2 227.352 0.537 20 0 BCADLP CCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246316707 387071106 /nfs/dbraw/zinc/07/11/06/387071106.db2.gz AFNNDJJHIPBLQD-WDEREUQCSA-N 2 2 227.352 0.537 20 0 BCADLP CCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246316707 387071110 /nfs/dbraw/zinc/07/11/10/387071110.db2.gz AFNNDJJHIPBLQD-WDEREUQCSA-N 2 2 227.352 0.537 20 0 BCADLP CCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246316707 387071112 /nfs/dbraw/zinc/07/11/12/387071112.db2.gz AFNNDJJHIPBLQD-WDEREUQCSA-N 2 2 227.352 0.537 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000228109785 387077726 /nfs/dbraw/zinc/07/77/26/387077726.db2.gz NEJFDSZAHWRNLX-YNEHKIRRSA-N 2 2 235.331 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000228109785 387077728 /nfs/dbraw/zinc/07/77/28/387077728.db2.gz NEJFDSZAHWRNLX-YNEHKIRRSA-N 2 2 235.331 0.894 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)C1(C[NH3+])CCCC1 ZINC000071275942 387097016 /nfs/dbraw/zinc/09/70/16/387097016.db2.gz GBWPRAIBBVTKEJ-UHFFFAOYSA-N 2 2 236.319 0.555 20 0 BCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000127233982 387100575 /nfs/dbraw/zinc/10/05/75/387100575.db2.gz FXPOHFLNBCZPGK-QWRGUYRKSA-N 2 2 245.330 0.898 20 0 BCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000127233982 387100578 /nfs/dbraw/zinc/10/05/78/387100578.db2.gz FXPOHFLNBCZPGK-QWRGUYRKSA-N 2 2 245.330 0.898 20 0 BCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000336273149 387107421 /nfs/dbraw/zinc/10/74/21/387107421.db2.gz OZYYYHZKEPHSST-LBPRGKRZSA-N 2 2 237.347 0.293 20 0 BCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000336273149 387107429 /nfs/dbraw/zinc/10/74/29/387107429.db2.gz OZYYYHZKEPHSST-LBPRGKRZSA-N 2 2 237.347 0.293 20 0 BCADLP CCC[NH2+]CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423312651 387152284 /nfs/dbraw/zinc/15/22/84/387152284.db2.gz SITSTACOWOVAAB-NEPJUHHUSA-N 3 2 213.369 0.964 20 0 BCADLP O=C1OC[C@@H]2C[N@H+](CCn3cc[nH+]c3)CCN12 ZINC000371199003 387171336 /nfs/dbraw/zinc/17/13/36/387171336.db2.gz QDFBCUSVFAKGQE-JTQLQIEISA-N 2 2 236.275 0.020 20 0 BCADLP O=C1OC[C@@H]2C[N@@H+](CCn3cc[nH+]c3)CCN12 ZINC000371199003 387171339 /nfs/dbraw/zinc/17/13/39/387171339.db2.gz QDFBCUSVFAKGQE-JTQLQIEISA-N 2 2 236.275 0.020 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCC[NH3+] ZINC000423333037 387178064 /nfs/dbraw/zinc/17/80/64/387178064.db2.gz NTPUJCPJCZFXHC-ZYHUDNBSSA-N 3 2 211.353 0.798 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCC[NH3+] ZINC000423333037 387178067 /nfs/dbraw/zinc/17/80/67/387178067.db2.gz NTPUJCPJCZFXHC-ZYHUDNBSSA-N 3 2 211.353 0.798 20 0 BCADLP C[N@H+](CCN1CCCC1=O)[C@@H](C[NH3+])C1CC1 ZINC000359869353 387180141 /nfs/dbraw/zinc/18/01/41/387180141.db2.gz DMGFIFHUVAMPJW-NSHDSACASA-N 2 2 225.336 0.278 20 0 BCADLP C[N@@H+](CCN1CCCC1=O)[C@@H](C[NH3+])C1CC1 ZINC000359869353 387180147 /nfs/dbraw/zinc/18/01/47/387180147.db2.gz DMGFIFHUVAMPJW-NSHDSACASA-N 2 2 225.336 0.278 20 0 BCADLP COCC[NH2+]CC[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000423343397 387191804 /nfs/dbraw/zinc/19/18/04/387191804.db2.gz WFTHNJBYIWLJNB-GARJFASQSA-N 2 2 216.325 0.378 20 0 BCADLP CC(C)(C)NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088288198 387138298 /nfs/dbraw/zinc/13/82/98/387138298.db2.gz RMQBIVRXIAVZMG-AOOOYVTPSA-N 2 2 225.336 0.052 20 0 BCADLP CC(C)(C)NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088288198 387138303 /nfs/dbraw/zinc/13/83/03/387138303.db2.gz RMQBIVRXIAVZMG-AOOOYVTPSA-N 2 2 225.336 0.052 20 0 BCADLP CC[N@H+](CCn1cc[nH+]c1C)Cc1cn(C)nn1 ZINC000359653499 387139719 /nfs/dbraw/zinc/13/97/19/387139719.db2.gz WHNXPSFQQOAVNZ-UHFFFAOYSA-N 2 2 248.334 0.842 20 0 BCADLP CC[N@@H+](CCn1cc[nH+]c1C)Cc1cn(C)nn1 ZINC000359653499 387139725 /nfs/dbraw/zinc/13/97/25/387139725.db2.gz WHNXPSFQQOAVNZ-UHFFFAOYSA-N 2 2 248.334 0.842 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCOC2)C[N@@H+]1C1CC1 ZINC000300409576 387206261 /nfs/dbraw/zinc/20/62/61/387206261.db2.gz KFHWNQPLMHVGTM-NTZNESFSSA-N 2 2 240.347 0.353 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCOC2)C[N@H+]1C1CC1 ZINC000300409576 387206267 /nfs/dbraw/zinc/20/62/67/387206267.db2.gz KFHWNQPLMHVGTM-NTZNESFSSA-N 2 2 240.347 0.353 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423357130 387207032 /nfs/dbraw/zinc/20/70/32/387207032.db2.gz HUJDKORRHKQFJS-LPWJVIDDSA-N 3 2 241.379 0.341 20 0 BCADLP CC(C)[C@H](O)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000229973767 387208402 /nfs/dbraw/zinc/20/84/02/387208402.db2.gz SJVPBVYXRJDUPO-GRYCIOLGSA-N 2 2 230.352 0.360 20 0 BCADLP CC[C@H](Cn1cncn1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423355952 387208781 /nfs/dbraw/zinc/20/87/81/387208781.db2.gz GBJVKQLZAAWCGH-TUAOUCFPSA-N 2 2 237.351 0.644 20 0 BCADLP CC(C)[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000336409295 387237763 /nfs/dbraw/zinc/23/77/63/387237763.db2.gz HFCQECJWMYXFQX-NWDGAFQWSA-N 2 2 239.363 0.442 20 0 BCADLP CC(C)[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000336409295 387237769 /nfs/dbraw/zinc/23/77/69/387237769.db2.gz HFCQECJWMYXFQX-NWDGAFQWSA-N 2 2 239.363 0.442 20 0 BCADLP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccn(C)n1 ZINC000423421503 387251150 /nfs/dbraw/zinc/25/11/50/387251150.db2.gz CHRIJTDRBMIQKV-MIZYBKAJSA-N 2 2 220.320 0.679 20 0 BCADLP CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000353405583 387194666 /nfs/dbraw/zinc/19/46/66/387194666.db2.gz VYBRZFYJBABHMW-NEPJUHHUSA-N 2 2 237.351 0.741 20 0 BCADLP CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000353405583 387194671 /nfs/dbraw/zinc/19/46/71/387194671.db2.gz VYBRZFYJBABHMW-NEPJUHHUSA-N 2 2 237.351 0.741 20 0 BCADLP COCC[NH2+]CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423345077 387195806 /nfs/dbraw/zinc/19/58/06/387195806.db2.gz XKYZMTFNAYMZSC-NEPJUHHUSA-N 3 2 229.368 0.330 20 0 BCADLP CC[C@@H](Cn1cncn1)[NH2+]CC(C)(C)[NH+](C)C ZINC000353427439 387198608 /nfs/dbraw/zinc/19/86/08/387198608.db2.gz OGEMRJFTTDUDEW-NSHDSACASA-N 2 2 239.367 0.987 20 0 BCADLP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cnn(C)c1 ZINC000423428913 387254776 /nfs/dbraw/zinc/25/47/76/387254776.db2.gz JSRINFGUKYJZHR-WHOHXGKFSA-N 2 2 220.320 0.679 20 0 BCADLP c1cn(CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cn1 ZINC000572175209 387257883 /nfs/dbraw/zinc/25/78/83/387257883.db2.gz BWWBRXISSGNCNP-UHFFFAOYSA-N 2 2 246.318 0.428 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@]2(C)CCOC2)n1C ZINC000572180073 387258758 /nfs/dbraw/zinc/25/87/58/387258758.db2.gz MVEOXZBPBGXSBJ-NSHDSACASA-N 2 2 209.293 0.997 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC000423388165 387273124 /nfs/dbraw/zinc/27/31/24/387273124.db2.gz UBJPURFSKPPYBO-IRCOFANPSA-N 3 2 211.353 0.715 20 0 BCADLP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000353811795 387279120 /nfs/dbraw/zinc/27/91/20/387279120.db2.gz FBUDNHAGPKEZOS-GHMZBOCLSA-N 2 2 236.319 0.660 20 0 BCADLP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000353811795 387279123 /nfs/dbraw/zinc/27/91/23/387279123.db2.gz FBUDNHAGPKEZOS-GHMZBOCLSA-N 2 2 236.319 0.660 20 0 BCADLP CC[NH2+]CCC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000643499230 387286717 /nfs/dbraw/zinc/28/67/17/387286717.db2.gz LOHAVVMUYDEGQL-RYUDHWBXSA-N 3 2 229.368 0.343 20 0 BCADLP C[NH+](C)CC(=O)N1CC[NH+](CCCF)CC1 ZINC000120979888 387288093 /nfs/dbraw/zinc/28/80/93/387288093.db2.gz OMRVISOPIKFURL-UHFFFAOYSA-N 2 2 231.315 0.052 20 0 BCADLP COC[C@H](C)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000648647448 387295937 /nfs/dbraw/zinc/29/59/37/387295937.db2.gz IZZGWOWCVGABKO-CHWSQXEVSA-N 2 2 244.379 0.705 20 0 BCADLP COC[C@H](C)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000648647448 387295942 /nfs/dbraw/zinc/29/59/42/387295942.db2.gz IZZGWOWCVGABKO-CHWSQXEVSA-N 2 2 244.379 0.705 20 0 BCADLP CC(C)[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)c1[nH]cc[nH+]1 ZINC000514857283 387296596 /nfs/dbraw/zinc/29/65/96/387296596.db2.gz JOVVYJRYFYZOKV-NXEZZACHSA-N 2 2 236.319 0.833 20 0 BCADLP CCC[NH2+]CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000423457343 387304635 /nfs/dbraw/zinc/30/46/35/387304635.db2.gz IHZPXFHOHSSKLW-UHFFFAOYSA-N 2 2 210.281 0.448 20 0 BCADLP C[NH+](C)CCCCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360836523 387356328 /nfs/dbraw/zinc/35/63/28/387356328.db2.gz WYAQIMIODQSTAR-SECBINFHSA-N 2 2 249.305 0.442 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423532432 387357640 /nfs/dbraw/zinc/35/76/40/387357640.db2.gz RDOOEXDIOZTZPI-KGYLQXTDSA-N 2 2 247.342 0.596 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423545752 387367665 /nfs/dbraw/zinc/36/76/65/387367665.db2.gz PEPVRGHOUUHYDR-ITGHMWBKSA-N 3 2 237.391 0.914 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423545752 387367670 /nfs/dbraw/zinc/36/76/70/387367670.db2.gz PEPVRGHOUUHYDR-ITGHMWBKSA-N 3 2 237.391 0.914 20 0 BCADLP O=C1OCC[C@H]2CC[N@H+](CCn3cc[nH+]c3)[C@@H]12 ZINC000373449274 387372351 /nfs/dbraw/zinc/37/23/51/387372351.db2.gz UJGSZCCPSDJXNS-GHMZBOCLSA-N 2 2 235.287 0.521 20 0 BCADLP O=C1OCC[C@H]2CC[N@@H+](CCn3cc[nH+]c3)[C@@H]12 ZINC000373449274 387372355 /nfs/dbraw/zinc/37/23/55/387372355.db2.gz UJGSZCCPSDJXNS-GHMZBOCLSA-N 2 2 235.287 0.521 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)[C@H]1CC1(C)C ZINC000423565350 387377834 /nfs/dbraw/zinc/37/78/34/387377834.db2.gz LRXRAEYOGIRVDR-HBNTYKKESA-N 2 2 212.337 0.999 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423572700 387381094 /nfs/dbraw/zinc/38/10/94/387381094.db2.gz YOTFTBCJPDEFES-CMPLNLGQSA-N 3 2 211.353 0.716 20 0 BCADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423580203 387382025 /nfs/dbraw/zinc/38/20/25/387382025.db2.gz XJCLKXOPGBUIGQ-AVGNSLFASA-N 2 2 242.363 0.770 20 0 BCADLP O=C1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCN1 ZINC000515067568 387328262 /nfs/dbraw/zinc/32/82/62/387328262.db2.gz FFZUHOHXLYFPDP-UHFFFAOYSA-N 2 2 245.326 0.264 20 0 BCADLP O=C1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCN1 ZINC000515067568 387328266 /nfs/dbraw/zinc/32/82/66/387328266.db2.gz FFZUHOHXLYFPDP-UHFFFAOYSA-N 2 2 245.326 0.264 20 0 BCADLP Cn1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000515234152 387351738 /nfs/dbraw/zinc/35/17/38/387351738.db2.gz CRVUFTHIBXVQHL-CYBMUJFWSA-N 2 2 237.347 0.570 20 0 BCADLP Cn1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000515234152 387351745 /nfs/dbraw/zinc/35/17/45/387351745.db2.gz CRVUFTHIBXVQHL-CYBMUJFWSA-N 2 2 237.347 0.570 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1cccc(O)c1 ZINC000423522714 387353521 /nfs/dbraw/zinc/35/35/21/387353521.db2.gz RMJNZVCQPQGISF-AAEUAGOBSA-N 2 2 249.358 0.946 20 0 BCADLP C[N@@H+]1CCCC12CC[NH+]([C@@H]1COC[C@H]1O)CC2 ZINC000361348060 387443589 /nfs/dbraw/zinc/44/35/89/387443589.db2.gz GVLQZIXZXNOZJR-VXGBXAGGSA-N 2 2 240.347 0.306 20 0 BCADLP C[N@H+]1CCCC12CC[NH+]([C@@H]1COC[C@H]1O)CC2 ZINC000361348060 387443594 /nfs/dbraw/zinc/44/35/94/387443594.db2.gz GVLQZIXZXNOZJR-VXGBXAGGSA-N 2 2 240.347 0.306 20 0 BCADLP CC[NH2+][C@H](C)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000423606998 387386587 /nfs/dbraw/zinc/38/65/87/387386587.db2.gz LZIUCVAPOSXFKQ-SSDOTTSWSA-N 2 2 210.281 0.446 20 0 BCADLP CC(C)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1=O ZINC000336563315 387388822 /nfs/dbraw/zinc/38/88/22/387388822.db2.gz KEEZJRMWNXAUCG-LLVKDONJSA-N 2 2 225.336 0.419 20 0 BCADLP Cc1[nH]c(C(=O)NCCC[C@H]2CCC[NH2+]2)c[nH+]1 ZINC000423705014 387400528 /nfs/dbraw/zinc/40/05/28/387400528.db2.gz NUKYBXOFQHOLHY-SNVBAGLBSA-N 2 2 236.319 0.980 20 0 BCADLP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@H]1COC[C@@H]1O ZINC000352807219 387498224 /nfs/dbraw/zinc/49/82/24/387498224.db2.gz WQXAKHSPXITLRC-WOPDTQHZSA-N 2 2 228.336 0.162 20 0 BCADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1COC[C@@H]1O ZINC000352807219 387498227 /nfs/dbraw/zinc/49/82/27/387498227.db2.gz WQXAKHSPXITLRC-WOPDTQHZSA-N 2 2 228.336 0.162 20 0 BCADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]1COC[C@@H]1O ZINC000352807219 387498231 /nfs/dbraw/zinc/49/82/31/387498231.db2.gz WQXAKHSPXITLRC-WOPDTQHZSA-N 2 2 228.336 0.162 20 0 BCADLP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]1COC[C@@H]1O ZINC000352807219 387498232 /nfs/dbraw/zinc/49/82/32/387498232.db2.gz WQXAKHSPXITLRC-WOPDTQHZSA-N 2 2 228.336 0.162 20 0 BCADLP COC(C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21)OC ZINC000375251122 387518989 /nfs/dbraw/zinc/51/89/89/387518989.db2.gz YTISVMZUZQHFBW-MNOVXSKESA-N 2 2 228.336 0.631 20 0 BCADLP COC(C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21)OC ZINC000375251122 387518993 /nfs/dbraw/zinc/51/89/93/387518993.db2.gz YTISVMZUZQHFBW-MNOVXSKESA-N 2 2 228.336 0.631 20 0 BCADLP COC(C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21)OC ZINC000375251122 387518998 /nfs/dbraw/zinc/51/89/98/387518998.db2.gz YTISVMZUZQHFBW-MNOVXSKESA-N 2 2 228.336 0.631 20 0 BCADLP COC(C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21)OC ZINC000375251122 387519001 /nfs/dbraw/zinc/51/90/01/387519001.db2.gz YTISVMZUZQHFBW-MNOVXSKESA-N 2 2 228.336 0.631 20 0 BCADLP COC(C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21)OC ZINC000375251124 387520283 /nfs/dbraw/zinc/52/02/83/387520283.db2.gz YTISVMZUZQHFBW-WDEREUQCSA-N 2 2 228.336 0.631 20 0 BCADLP COC(C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21)OC ZINC000375251124 387520288 /nfs/dbraw/zinc/52/02/88/387520288.db2.gz YTISVMZUZQHFBW-WDEREUQCSA-N 2 2 228.336 0.631 20 0 BCADLP COC(C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21)OC ZINC000375251124 387520294 /nfs/dbraw/zinc/52/02/94/387520294.db2.gz YTISVMZUZQHFBW-WDEREUQCSA-N 2 2 228.336 0.631 20 0 BCADLP COC(C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21)OC ZINC000375251124 387520298 /nfs/dbraw/zinc/52/02/98/387520298.db2.gz YTISVMZUZQHFBW-WDEREUQCSA-N 2 2 228.336 0.631 20 0 BCADLP C[C@H](C[NH2+]CC1(C)COC1)C[NH+]1CCOCC1 ZINC000352752967 387471223 /nfs/dbraw/zinc/47/12/23/387471223.db2.gz ZUVNWROCIZWQJW-GFCCVEGCSA-N 2 2 242.363 0.581 20 0 BCADLP C[C@H](C[NH+](C)C)NC(=O)NCc1[nH+]ccn1C ZINC000352751177 387471427 /nfs/dbraw/zinc/47/14/27/387471427.db2.gz DBRUMXKELAOONQ-SECBINFHSA-N 2 2 239.323 0.169 20 0 BCADLP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643508268 387481397 /nfs/dbraw/zinc/48/13/97/387481397.db2.gz ZRZNJFHQZKCTOJ-ZYHUDNBSSA-N 3 2 211.353 0.846 20 0 BCADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC2CC2)CC[N@@H+]1C ZINC000123796459 387596949 /nfs/dbraw/zinc/59/69/49/387596949.db2.gz GFFUGUXFLZFVIA-ZYHUDNBSSA-N 2 2 239.363 0.680 20 0 BCADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC2CC2)CC[N@H+]1C ZINC000123796459 387596953 /nfs/dbraw/zinc/59/69/53/387596953.db2.gz GFFUGUXFLZFVIA-ZYHUDNBSSA-N 2 2 239.363 0.680 20 0 BCADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NC2CC2)CC[NH+]1C ZINC000123796459 387596955 /nfs/dbraw/zinc/59/69/55/387596955.db2.gz GFFUGUXFLZFVIA-ZYHUDNBSSA-N 2 2 239.363 0.680 20 0 BCADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NC2CC2)CC[NH+]1C ZINC000123796459 387596962 /nfs/dbraw/zinc/59/69/62/387596962.db2.gz GFFUGUXFLZFVIA-ZYHUDNBSSA-N 2 2 239.363 0.680 20 0 BCADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nnnn2C)C[C@@H]1C[NH3+] ZINC000422642789 387611329 /nfs/dbraw/zinc/61/13/29/387611329.db2.gz ZZBTULHDLNWHSF-UTLUCORTSA-N 2 2 238.339 0.015 20 0 BCADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nnnn2C)C[C@@H]1C[NH3+] ZINC000422642789 387611333 /nfs/dbraw/zinc/61/13/33/387611333.db2.gz ZZBTULHDLNWHSF-UTLUCORTSA-N 2 2 238.339 0.015 20 0 BCADLP C[C@@H]1C[C@@H]1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422698886 387616077 /nfs/dbraw/zinc/61/60/77/387616077.db2.gz BPZJBOGLVOQYCB-OJAKKHQRSA-N 2 2 224.348 0.999 20 0 BCADLP CC(C)[N@H+](C)CC(=O)NC1C[NH+](C(C)C)C1 ZINC000430430760 387617879 /nfs/dbraw/zinc/61/78/79/387617879.db2.gz ITHCUYRHDPUJNJ-UHFFFAOYSA-N 2 2 227.352 0.535 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)NC1C[NH+](C(C)C)C1 ZINC000430430760 387617883 /nfs/dbraw/zinc/61/78/83/387617883.db2.gz ITHCUYRHDPUJNJ-UHFFFAOYSA-N 2 2 227.352 0.535 20 0 BCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000422707621 387621127 /nfs/dbraw/zinc/62/11/27/387621127.db2.gz WSOQINRXDDGKKF-CHWSQXEVSA-N 3 2 243.395 0.814 20 0 BCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000422707621 387621129 /nfs/dbraw/zinc/62/11/29/387621129.db2.gz WSOQINRXDDGKKF-CHWSQXEVSA-N 3 2 243.395 0.814 20 0 BCADLP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H]1CCC[NH2+]C1 ZINC000527534026 387626497 /nfs/dbraw/zinc/62/64/97/387626497.db2.gz ZCNXPCWUPHAEFK-RYUDHWBXSA-N 3 2 223.364 0.860 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000361881896 387549074 /nfs/dbraw/zinc/54/90/74/387549074.db2.gz XZNNQMBZESVLPK-FRRDWIJNSA-N 2 2 244.379 0.968 20 0 BCADLP C[NH+](C)C1CN(c2nc[nH+]c(N)c2Cl)C1 ZINC000277888133 387549621 /nfs/dbraw/zinc/54/96/21/387549621.db2.gz SSEDRYIOLAMCJW-UHFFFAOYSA-N 2 2 227.699 0.462 20 0 BCADLP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[NH2+]C1 ZINC000527534021 387627541 /nfs/dbraw/zinc/62/75/41/387627541.db2.gz ZCNXPCWUPHAEFK-NEPJUHHUSA-N 3 2 223.364 0.860 20 0 BCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccccn1 ZINC000037889239 387568503 /nfs/dbraw/zinc/56/85/03/387568503.db2.gz ISDMZJWHMJCZGF-MNOVXSKESA-N 2 2 223.320 0.655 20 0 BCADLP C[C@@](C[NH3+])([NH2+]CC(=O)NC1CCCC1)C1CC1 ZINC000430556848 387628009 /nfs/dbraw/zinc/62/80/09/387628009.db2.gz ZUXMYSVPJBBZFZ-ZDUSSCGKSA-N 2 2 239.363 0.762 20 0 BCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N1CCCCC1 ZINC000430586362 387630012 /nfs/dbraw/zinc/63/00/12/387630012.db2.gz WDMFEPJJDRQZIX-CYBMUJFWSA-N 2 2 241.379 0.962 20 0 BCADLP CC(C)(C)NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430585231 387630968 /nfs/dbraw/zinc/63/09/68/387630968.db2.gz RMDNQZOKWBFBDI-LBPRGKRZSA-N 2 2 227.352 0.618 20 0 BCADLP C[N@H+](CC(=O)NCC1CCC1)C1CC[NH2+]CC1 ZINC000430601146 387632765 /nfs/dbraw/zinc/63/27/65/387632765.db2.gz IXIRDCZQMSEESJ-UHFFFAOYSA-N 2 2 239.363 0.587 20 0 BCADLP C[N@@H+](CC(=O)NCC1CCC1)C1CC[NH2+]CC1 ZINC000430601146 387632771 /nfs/dbraw/zinc/63/27/71/387632771.db2.gz IXIRDCZQMSEESJ-UHFFFAOYSA-N 2 2 239.363 0.587 20 0 BCADLP CCCCNC(=O)CC[N@@H+]1CC[C@H]([NH2+]C)C1 ZINC000430648468 387636557 /nfs/dbraw/zinc/63/65/57/387636557.db2.gz ZCUXMOGZWCZDGF-NSHDSACASA-N 2 2 227.352 0.587 20 0 BCADLP CCCCNC(=O)CC[N@H+]1CC[C@H]([NH2+]C)C1 ZINC000430648468 387636561 /nfs/dbraw/zinc/63/65/61/387636561.db2.gz ZCUXMOGZWCZDGF-NSHDSACASA-N 2 2 227.352 0.587 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000422728329 387638444 /nfs/dbraw/zinc/63/84/44/387638444.db2.gz FTORYXIBJNHYEB-VXGBXAGGSA-N 3 2 222.336 0.861 20 0 BCADLP CC(C)(C[NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000430684845 387638870 /nfs/dbraw/zinc/63/88/70/387638870.db2.gz FOXDGXINLMFTEK-UHFFFAOYSA-N 2 2 246.314 0.935 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000422728327 387639096 /nfs/dbraw/zinc/63/90/96/387639096.db2.gz FTORYXIBJNHYEB-RYUDHWBXSA-N 3 2 222.336 0.861 20 0 BCADLP CC(C)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422733865 387641269 /nfs/dbraw/zinc/64/12/69/387641269.db2.gz RUENFFVVLGQXAI-NWDGAFQWSA-N 2 2 212.337 0.999 20 0 BCADLP C[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])[N@H+](C)C1CC1 ZINC000422738355 387645113 /nfs/dbraw/zinc/64/51/13/387645113.db2.gz JOIBROQQBKTSFF-JLLWLGSASA-N 3 2 211.353 0.939 20 0 BCADLP C[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])[N@@H+](C)C1CC1 ZINC000422738355 387645120 /nfs/dbraw/zinc/64/51/20/387645120.db2.gz JOIBROQQBKTSFF-JLLWLGSASA-N 3 2 211.353 0.939 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)C[C@@H](O)C(F)(F)F ZINC000305776746 387651223 /nfs/dbraw/zinc/65/12/23/387651223.db2.gz OVQMVOJZEHECAW-MRVPVSSYSA-N 2 2 237.225 0.738 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)C[C@@H](O)C(F)(F)F ZINC000305776746 387651227 /nfs/dbraw/zinc/65/12/27/387651227.db2.gz OVQMVOJZEHECAW-MRVPVSSYSA-N 2 2 237.225 0.738 20 0 BCADLP C[C@H](CCC[NH3+])[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000422756103 387659580 /nfs/dbraw/zinc/65/95/80/387659580.db2.gz GFMSKJIOVOVJLH-QWHCGFSZSA-N 3 2 243.395 0.672 20 0 BCADLP C[C@H]1C[N@H+](CC(=O)NCC2CCC2)CC[C@@H]1[NH3+] ZINC000430916967 387661233 /nfs/dbraw/zinc/66/12/33/387661233.db2.gz IRKLDBHOICTIMI-JQWIXIFHSA-N 2 2 239.363 0.572 20 0 BCADLP C[C@H]1C[N@@H+](CC(=O)NCC2CCC2)CC[C@@H]1[NH3+] ZINC000430916967 387661236 /nfs/dbraw/zinc/66/12/36/387661236.db2.gz IRKLDBHOICTIMI-JQWIXIFHSA-N 2 2 239.363 0.572 20 0 BCADLP C[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430938212 387662968 /nfs/dbraw/zinc/66/29/68/387662968.db2.gz HDSRFFDQTRZGNN-KGYLQXTDSA-N 2 2 247.342 0.882 20 0 BCADLP C[C@@H]1C[N@H+]([C@@H](C(N)=O)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430938212 387662972 /nfs/dbraw/zinc/66/29/72/387662972.db2.gz HDSRFFDQTRZGNN-KGYLQXTDSA-N 2 2 247.342 0.882 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000430966864 387665304 /nfs/dbraw/zinc/66/53/04/387665304.db2.gz PTRNWFBZRXRBJD-YPMHNXCESA-N 2 2 247.342 0.754 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000430966864 387665308 /nfs/dbraw/zinc/66/53/08/387665308.db2.gz PTRNWFBZRXRBJD-YPMHNXCESA-N 2 2 247.342 0.754 20 0 BCADLP C[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])C[NH+]1CCOCC1 ZINC000422769078 387668227 /nfs/dbraw/zinc/66/82/27/387668227.db2.gz SQOXGHWFWHRXES-FRRDWIJNSA-N 3 2 243.395 0.670 20 0 BCADLP COc1cc[nH+]cc1NC(=O)C[C@H](C)[NH3+] ZINC000431052494 387673506 /nfs/dbraw/zinc/67/35/06/387673506.db2.gz XQBXSLMTQLTNLD-ZETCQYMHSA-N 2 2 209.249 0.766 20 0 BCADLP C[NH+](C)CCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422743142 387689170 /nfs/dbraw/zinc/68/91/70/387689170.db2.gz HZRHXBWSIYJMEF-STQMWFEESA-N 3 2 241.379 0.295 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CC2COC2)C[N@@H+]1C1CC1 ZINC000527817707 387706677 /nfs/dbraw/zinc/70/66/77/387706677.db2.gz OQUMBCXEERANSH-GXSJLCMTSA-N 2 2 210.321 0.848 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CC2COC2)C[N@H+]1C1CC1 ZINC000527817707 387706681 /nfs/dbraw/zinc/70/66/81/387706681.db2.gz OQUMBCXEERANSH-GXSJLCMTSA-N 2 2 210.321 0.848 20 0 BCADLP C([NH2+]C1COC1)[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000367480019 387717003 /nfs/dbraw/zinc/71/70/03/387717003.db2.gz HBELMIRZKAUDMW-YPMHNXCESA-N 2 2 240.347 0.476 20 0 BCADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CCSC1 ZINC000422828084 387722341 /nfs/dbraw/zinc/72/23/41/387722341.db2.gz SSDFZLGQSLSLBZ-TUAOUCFPSA-N 3 2 243.420 0.893 20 0 BCADLP CC[C@H](O)CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422892153 387762829 /nfs/dbraw/zinc/76/28/29/387762829.db2.gz MJKSFDQDJVRLBI-YNEHKIRRSA-N 2 2 242.363 0.504 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCCC[NH3+])C1 ZINC000422889760 387763547 /nfs/dbraw/zinc/76/35/47/387763547.db2.gz QNANXEQWYFAIFJ-OLZOCXBDSA-N 3 2 243.395 0.814 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+][C@H](C)CCCC[NH3+])C1 ZINC000422889760 387763550 /nfs/dbraw/zinc/76/35/50/387763550.db2.gz QNANXEQWYFAIFJ-OLZOCXBDSA-N 3 2 243.395 0.814 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000442650372 387811847 /nfs/dbraw/zinc/81/18/47/387811847.db2.gz PBLDIFYHPHFPFH-OLZOCXBDSA-N 2 2 241.379 0.520 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000442650372 387811850 /nfs/dbraw/zinc/81/18/50/387811850.db2.gz PBLDIFYHPHFPFH-OLZOCXBDSA-N 2 2 241.379 0.520 20 0 BCADLP CCCC[C@H](C[NH3+])NC(=O)c1c[nH+]c(C)[nH]1 ZINC000422898934 387765634 /nfs/dbraw/zinc/76/56/34/387765634.db2.gz GEZCCKRZGKFNSU-SECBINFHSA-N 2 2 224.308 0.965 20 0 BCADLP CCC[C@H]([NH3+])C(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000378498647 387787126 /nfs/dbraw/zinc/78/71/26/387787126.db2.gz QFQUFRAEAIRMCD-ZJUUUORDSA-N 2 2 236.319 0.442 20 0 BCADLP CC[C@H](CCO)[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422980383 387790894 /nfs/dbraw/zinc/79/08/94/387790894.db2.gz PGDBTXHSGPWLHK-JHJVBQTASA-N 2 2 242.363 0.504 20 0 BCADLP CC(C)C(=O)N[C@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000442660080 387812891 /nfs/dbraw/zinc/81/28/91/387812891.db2.gz LSWSUJVVFPKDNO-MNOVXSKESA-N 2 2 227.352 0.570 20 0 BCADLP CC(C)C(=O)N[C@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000442660080 387812893 /nfs/dbraw/zinc/81/28/93/387812893.db2.gz LSWSUJVVFPKDNO-MNOVXSKESA-N 2 2 227.352 0.570 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@]1(O)CCSC1 ZINC000422991010 387799782 /nfs/dbraw/zinc/79/97/82/387799782.db2.gz CEABJHNHEXFHBP-VWYCJHECSA-N 2 2 230.377 0.442 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCn1cccn1 ZINC000422997667 387802806 /nfs/dbraw/zinc/80/28/06/387802806.db2.gz VGNMRCMDPAUOAJ-WDEREUQCSA-N 2 2 208.309 0.471 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCn1cccn1 ZINC000422997664 387803363 /nfs/dbraw/zinc/80/33/63/387803363.db2.gz VGNMRCMDPAUOAJ-GHMZBOCLSA-N 2 2 208.309 0.471 20 0 BCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccoc1 ZINC000309503245 387809113 /nfs/dbraw/zinc/80/91/13/387809113.db2.gz BKWBMWSDKICXOB-ZYHUDNBSSA-N 2 2 224.304 0.997 20 0 BCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccoc1 ZINC000309503245 387809116 /nfs/dbraw/zinc/80/91/16/387809116.db2.gz BKWBMWSDKICXOB-ZYHUDNBSSA-N 2 2 224.304 0.997 20 0 BCADLP C[C@H]([NH2+]Cc1c[nH+]cn1C)C(=O)NC(C)(C)C ZINC000134532165 387809946 /nfs/dbraw/zinc/80/99/46/387809946.db2.gz MUWOCKFMLXDBDN-VIFPVBQESA-N 2 2 238.335 0.813 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422958267 387811357 /nfs/dbraw/zinc/81/13/57/387811357.db2.gz OXMSGYLECSQJHU-MXWKQRLJSA-N 2 2 225.336 0.337 20 0 BCADLP C[C@H]([NH3+])C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000442666496 387819932 /nfs/dbraw/zinc/81/99/32/387819932.db2.gz VCOGAQWOAUSVFS-NSHDSACASA-N 2 2 235.331 0.711 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000442666496 387819936 /nfs/dbraw/zinc/81/99/36/387819936.db2.gz VCOGAQWOAUSVFS-NSHDSACASA-N 2 2 235.331 0.711 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528011673 387822707 /nfs/dbraw/zinc/82/27/07/387822707.db2.gz MSMLMFZCJXTTFN-CMPLNLGQSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528011673 387822713 /nfs/dbraw/zinc/82/27/13/387822713.db2.gz MSMLMFZCJXTTFN-CMPLNLGQSA-N 2 2 239.363 0.857 20 0 BCADLP C[NH2+]Cc1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC000424163363 387846132 /nfs/dbraw/zinc/84/61/32/387846132.db2.gz DLYONVRHANQUIC-LBPRGKRZSA-N 2 2 249.314 0.333 20 0 BCADLP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000433009473 387849246 /nfs/dbraw/zinc/84/92/46/387849246.db2.gz UFPRKXXNBBGGSG-KXNHARMFSA-N 2 2 240.347 0.868 20 0 BCADLP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000433009473 387849247 /nfs/dbraw/zinc/84/92/47/387849247.db2.gz UFPRKXXNBBGGSG-KXNHARMFSA-N 2 2 240.347 0.868 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC000423041756 387854687 /nfs/dbraw/zinc/85/46/87/387854687.db2.gz JRCFOVQOTVPMHN-MWLCHTKSSA-N 2 2 225.336 0.100 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)C1 ZINC000442876084 387854705 /nfs/dbraw/zinc/85/47/05/387854705.db2.gz UQXMOPVQEMJLRD-FIQHERPVSA-N 2 2 239.363 0.583 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)C1 ZINC000442876084 387854709 /nfs/dbraw/zinc/85/47/09/387854709.db2.gz UQXMOPVQEMJLRD-FIQHERPVSA-N 2 2 239.363 0.583 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2C)C1 ZINC000442876086 387854792 /nfs/dbraw/zinc/85/47/92/387854792.db2.gz UQXMOPVQEMJLRD-IRCOFANPSA-N 2 2 239.363 0.583 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2C)C1 ZINC000442876086 387854796 /nfs/dbraw/zinc/85/47/96/387854796.db2.gz UQXMOPVQEMJLRD-IRCOFANPSA-N 2 2 239.363 0.583 20 0 BCADLP C[N@H+]1C[C@@H]2C[NH+](CCOCC(F)F)C[C@@H]2C1 ZINC000193653010 387858373 /nfs/dbraw/zinc/85/83/73/387858373.db2.gz BJASVCFWRLIMEK-AOOOYVTPSA-N 2 2 234.290 0.762 20 0 BCADLP C[N@@H+]1C[C@@H]2C[NH+](CCOCC(F)F)C[C@@H]2C1 ZINC000193653010 387858378 /nfs/dbraw/zinc/85/83/78/387858378.db2.gz BJASVCFWRLIMEK-AOOOYVTPSA-N 2 2 234.290 0.762 20 0 BCADLP C[NH+]1C[C@@H]2C[N@@H+](CCOCC(F)F)C[C@@H]2C1 ZINC000193653010 387858380 /nfs/dbraw/zinc/85/83/80/387858380.db2.gz BJASVCFWRLIMEK-AOOOYVTPSA-N 2 2 234.290 0.762 20 0 BCADLP C[NH+]1C[C@@H]2C[N@H+](CCOCC(F)F)C[C@@H]2C1 ZINC000193653010 387858384 /nfs/dbraw/zinc/85/83/84/387858384.db2.gz BJASVCFWRLIMEK-AOOOYVTPSA-N 2 2 234.290 0.762 20 0 BCADLP CCN(C)C(=O)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423052776 387860117 /nfs/dbraw/zinc/86/01/17/387860117.db2.gz QLRQHGQXXUSVNR-VHSXEESVSA-N 2 2 213.325 0.052 20 0 BCADLP COCCCOC1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000442662629 387816055 /nfs/dbraw/zinc/81/60/55/387816055.db2.gz FPEDPLRULNUWDO-LLVKDONJSA-N 2 2 230.352 0.851 20 0 BCADLP CC(C)OCCOC[C@H](O)C[N@H+](C)C[C@@H](C)[NH3+] ZINC000442662200 387816460 /nfs/dbraw/zinc/81/64/60/387816460.db2.gz HBEKHLJRDZTSHX-VXGBXAGGSA-N 2 2 248.367 0.068 20 0 BCADLP CC(C)OCCOC[C@H](O)C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000442662200 387816466 /nfs/dbraw/zinc/81/64/66/387816466.db2.gz HBEKHLJRDZTSHX-VXGBXAGGSA-N 2 2 248.367 0.068 20 0 BCADLP C[C@H]([NH3+])C[NH+]1CCC(Cn2cccn2)CC1 ZINC000442661735 387817658 /nfs/dbraw/zinc/81/76/58/387817658.db2.gz OIWADKLSCLNKHP-NSHDSACASA-N 2 2 222.336 0.942 20 0 BCADLP CCCCNC(=O)C1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000442661877 387817960 /nfs/dbraw/zinc/81/79/60/387817960.db2.gz OVCULGRUJXBCST-NSHDSACASA-N 2 2 241.379 0.962 20 0 BCADLP C[NH2+]CCCC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424180160 387890618 /nfs/dbraw/zinc/89/06/18/387890618.db2.gz UVZJABSCQNVTLO-VIFPVBQESA-N 2 2 249.305 0.347 20 0 BCADLP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538403 387876289 /nfs/dbraw/zinc/87/62/89/387876289.db2.gz JIXYQSHESIDSTG-RHYQMDGZSA-N 3 2 229.343 0.794 20 0 BCADLP CC(C)(C[NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424175178 387879032 /nfs/dbraw/zinc/87/90/32/387879032.db2.gz NOHGGLSXOXLPBD-MRVPVSSYSA-N 2 2 249.305 0.332 20 0 BCADLP CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423161039 387943796 /nfs/dbraw/zinc/94/37/96/387943796.db2.gz NCMOMTGRPFIPJI-DDHJBXDOSA-N 2 2 228.336 0.520 20 0 BCADLP C([NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)[C@H]1CCCO1 ZINC000423164336 387945236 /nfs/dbraw/zinc/94/52/36/387945236.db2.gz WUIIKNUQFHFSLU-UPJWGTAASA-N 2 2 240.347 0.522 20 0 BCADLP C([NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@H]1CCCO1 ZINC000423164333 387946760 /nfs/dbraw/zinc/94/67/60/387946760.db2.gz WUIIKNUQFHFSLU-AGIUHOORSA-N 2 2 240.347 0.522 20 0 BCADLP CCO[C@H]1C[C@@H]([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000423164368 387948585 /nfs/dbraw/zinc/94/85/85/387948585.db2.gz OHMMLCMLBAZOIT-LPWJVIDDSA-N 2 2 242.363 0.911 20 0 BCADLP CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423172299 387959775 /nfs/dbraw/zinc/95/97/75/387959775.db2.gz SCYLLHNDEXJXEF-CHWFTXMASA-N 2 2 214.309 0.130 20 0 BCADLP CC(C)(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424337846 387980439 /nfs/dbraw/zinc/98/04/39/387980439.db2.gz SIVQVOXMYKHZRJ-NXEZZACHSA-N 2 2 227.352 0.761 20 0 BCADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423192618 387977840 /nfs/dbraw/zinc/97/78/40/387977840.db2.gz PVKGBIJJVHFCRU-IJLUTSLNSA-N 3 2 211.353 0.716 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000424368405 387991320 /nfs/dbraw/zinc/99/13/20/387991320.db2.gz PWCXAVMOVKMGLS-JTQLQIEISA-N 2 2 223.324 0.652 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000424368405 387991323 /nfs/dbraw/zinc/99/13/23/387991323.db2.gz PWCXAVMOVKMGLS-JTQLQIEISA-N 2 2 223.324 0.652 20 0 BCADLP Cn1nncc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424368853 387994100 /nfs/dbraw/zinc/99/41/00/387994100.db2.gz QPQFHYAWKDWKFO-NXEZZACHSA-N 2 2 209.297 0.175 20 0 BCADLP COC[C@@H]([NH3+])c1nc(C2([NH3+])CCCCC2)no1 ZINC000424339163 387981964 /nfs/dbraw/zinc/98/19/64/387981964.db2.gz BWSWKYYVLDJNEM-MRVPVSSYSA-N 2 2 240.307 0.834 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423215330 387997238 /nfs/dbraw/zinc/99/72/38/387997238.db2.gz QJWMBNUWWYDFLR-TUAOUCFPSA-N 3 2 211.353 0.716 20 0 BCADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423215329 387997509 /nfs/dbraw/zinc/99/75/09/387997509.db2.gz QJWMBNUWWYDFLR-SRVKXCTJSA-N 3 2 211.353 0.716 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246216779 388021200 /nfs/dbraw/zinc/02/12/00/388021200.db2.gz PVGBRRRRBOZFOL-NWDGAFQWSA-N 2 2 239.363 0.668 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246216779 388021204 /nfs/dbraw/zinc/02/12/04/388021204.db2.gz PVGBRRRRBOZFOL-NWDGAFQWSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@H](C[S@](C)=O)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000252815481 135111740 /nfs/dbraw/zinc/11/17/40/135111740.db2.gz VFNVALAVGMBGCV-LMCGPQHNSA-N 2 2 232.393 0.826 20 0 BCADLP C[C@H](C[S@](C)=O)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000252815481 135111741 /nfs/dbraw/zinc/11/17/41/135111741.db2.gz VFNVALAVGMBGCV-LMCGPQHNSA-N 2 2 232.393 0.826 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000423251375 388033162 /nfs/dbraw/zinc/03/31/62/388033162.db2.gz RXUDNNPWQSJFCE-AVGNSLFASA-N 3 2 225.380 0.916 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000423251375 388033165 /nfs/dbraw/zinc/03/31/65/388033165.db2.gz RXUDNNPWQSJFCE-AVGNSLFASA-N 3 2 225.380 0.916 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 ZINC000423251376 388034179 /nfs/dbraw/zinc/03/41/79/388034179.db2.gz RXUDNNPWQSJFCE-RWMBFGLXSA-N 3 2 225.380 0.916 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 ZINC000423251376 388034184 /nfs/dbraw/zinc/03/41/84/388034184.db2.gz RXUDNNPWQSJFCE-RWMBFGLXSA-N 3 2 225.380 0.916 20 0 BCADLP C[NH2+]C[C@H](C)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423256204 388036439 /nfs/dbraw/zinc/03/64/39/388036439.db2.gz BMMSIJQCHRXKFI-WCFLWFBJSA-N 3 2 241.379 0.199 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000453259907 388028247 /nfs/dbraw/zinc/02/82/47/388028247.db2.gz IVHDZDIIIXRZGI-YNEHKIRRSA-N 2 2 244.379 0.846 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000453259907 388028251 /nfs/dbraw/zinc/02/82/51/388028251.db2.gz IVHDZDIIIXRZGI-YNEHKIRRSA-N 2 2 244.379 0.846 20 0 BCADLP C[NH2+]CCC[N@H+](C)CC(=O)NCC(C)C ZINC000087472705 135142509 /nfs/dbraw/zinc/14/25/09/135142509.db2.gz QPMRSBORKGAWQO-UHFFFAOYSA-N 2 2 215.341 0.300 20 0 BCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NCC(C)C ZINC000087472705 135142511 /nfs/dbraw/zinc/14/25/11/135142511.db2.gz QPMRSBORKGAWQO-UHFFFAOYSA-N 2 2 215.341 0.300 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000453275631 388031343 /nfs/dbraw/zinc/03/13/43/388031343.db2.gz XBAXDTFMSMFTEX-UPJWGTAASA-N 2 2 244.379 0.846 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000453275631 388031345 /nfs/dbraw/zinc/03/13/45/388031345.db2.gz XBAXDTFMSMFTEX-UPJWGTAASA-N 2 2 244.379 0.846 20 0 BCADLP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423274571 388055447 /nfs/dbraw/zinc/05/54/47/388055447.db2.gz MBOQGGIPACBTMR-SRVKXCTJSA-N 3 2 213.369 0.962 20 0 BCADLP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423274568 388055712 /nfs/dbraw/zinc/05/57/12/388055712.db2.gz MBOQGGIPACBTMR-IJLUTSLNSA-N 3 2 213.369 0.962 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CC2)CN1C1CC1 ZINC000423275604 388056339 /nfs/dbraw/zinc/05/63/39/388056339.db2.gz LWQQIEXHVVTCPH-SUZMYJTESA-N 2 2 223.364 0.939 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CC2)CN1C1CC1 ZINC000423275602 388056852 /nfs/dbraw/zinc/05/68/52/388056852.db2.gz LWQQIEXHVVTCPH-CDMKHQONSA-N 2 2 223.364 0.939 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCSC[C@H]1CCO ZINC000261527725 135152073 /nfs/dbraw/zinc/15/20/73/135152073.db2.gz GJDPSMHWXPPXEM-DTWKUNHWSA-N 2 2 204.339 0.133 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCSC[C@H]1CCO ZINC000261527725 135152075 /nfs/dbraw/zinc/15/20/75/135152075.db2.gz GJDPSMHWXPPXEM-DTWKUNHWSA-N 2 2 204.339 0.133 20 0 BCADLP CC[C@H]([NH2+]C[C@H](C)C[NH2+]C)[C@@H]1CCC[NH2+]1 ZINC000423278760 388060622 /nfs/dbraw/zinc/06/06/22/388060622.db2.gz RLCMUBOLRJWQDL-WOPDTQHZSA-N 3 2 213.369 0.962 20 0 BCADLP CC[C@@H]([NH2+]C[C@@H](C)C[NH2+]C)[C@@H]1CCC[NH2+]1 ZINC000423278758 388060838 /nfs/dbraw/zinc/06/08/38/388060838.db2.gz RLCMUBOLRJWQDL-TUAOUCFPSA-N 3 2 213.369 0.962 20 0 BCADLP C[C@H]([NH3+])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000083935529 388068066 /nfs/dbraw/zinc/06/80/66/388068066.db2.gz DHLRQCLJABLRHN-VIFPVBQESA-N 2 2 236.319 0.225 20 0 BCADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423298291 388079542 /nfs/dbraw/zinc/07/95/42/388079542.db2.gz NYGOWRZQEXUYJY-YNEHKIRRSA-N 3 2 243.395 0.861 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000447601706 388080626 /nfs/dbraw/zinc/08/06/26/388080626.db2.gz QUVVUZDEBHDREV-JQWIXIFHSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000447601706 388080629 /nfs/dbraw/zinc/08/06/29/388080629.db2.gz QUVVUZDEBHDREV-JQWIXIFHSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCSC[C@@H]1CCO ZINC000261527726 135152423 /nfs/dbraw/zinc/15/24/23/135152423.db2.gz GJDPSMHWXPPXEM-IUCAKERBSA-N 2 2 204.339 0.133 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCSC[C@@H]1CCO ZINC000261527726 135152425 /nfs/dbraw/zinc/15/24/25/135152425.db2.gz GJDPSMHWXPPXEM-IUCAKERBSA-N 2 2 204.339 0.133 20 0 BCADLP CO[C@H](C)CC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000336660031 388088267 /nfs/dbraw/zinc/08/82/67/388088267.db2.gz BAGJCPCHAQHLET-TUAOUCFPSA-N 2 2 230.352 0.768 20 0 BCADLP C([NH2+][C@@H]1CCOC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085789726 388096080 /nfs/dbraw/zinc/09/60/80/388096080.db2.gz MPKIYWLPICSMON-UTUOFQBUSA-N 2 2 226.320 0.228 20 0 BCADLP C([NH2+][C@@H]1CCOC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085789726 388096083 /nfs/dbraw/zinc/09/60/83/388096083.db2.gz MPKIYWLPICSMON-UTUOFQBUSA-N 2 2 226.320 0.228 20 0 BCADLP CC[C@H](O)C[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000336661098 388100477 /nfs/dbraw/zinc/10/04/77/388100477.db2.gz SCDPZDVGMVPIHZ-OUAUKWLOSA-N 2 2 200.326 0.687 20 0 BCADLP CC[C@H](O)C[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000336661098 388100478 /nfs/dbraw/zinc/10/04/78/388100478.db2.gz SCDPZDVGMVPIHZ-OUAUKWLOSA-N 2 2 200.326 0.687 20 0 BCADLP CCS(=O)(=O)C[C@H](C)[NH2+]CCC[NH+](C)C ZINC000162215395 388126032 /nfs/dbraw/zinc/12/60/32/388126032.db2.gz BBERJUQNVULBGD-JTQLQIEISA-N 2 2 236.381 0.351 20 0 BCADLP COC(=O)COC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000449103840 388142917 /nfs/dbraw/zinc/14/29/17/388142917.db2.gz SAFWJTSVSCFSFE-WDEREUQCSA-N 2 2 244.335 0.248 20 0 BCADLP COC(=O)COC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000449103840 388142918 /nfs/dbraw/zinc/14/29/18/388142918.db2.gz SAFWJTSVSCFSFE-WDEREUQCSA-N 2 2 244.335 0.248 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCC(C)(C)CO ZINC000449409258 388189615 /nfs/dbraw/zinc/18/96/15/388189615.db2.gz SFDHBEUQVOYUFE-WDEREUQCSA-N 2 2 214.353 0.935 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC(C)(C)CO ZINC000449409258 388189616 /nfs/dbraw/zinc/18/96/16/388189616.db2.gz SFDHBEUQVOYUFE-WDEREUQCSA-N 2 2 214.353 0.935 20 0 BCADLP CCOC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449387894 388190498 /nfs/dbraw/zinc/19/04/98/388190498.db2.gz NKDBSGFAYSBFLU-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP CCOC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449387894 388190500 /nfs/dbraw/zinc/19/05/00/388190500.db2.gz NKDBSGFAYSBFLU-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1cc[nH]c1 ZINC000449396083 388193308 /nfs/dbraw/zinc/19/33/08/388193308.db2.gz RHTUBCJALVGEFW-ZDUSSCGKSA-N 2 2 237.347 0.951 20 0 BCADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1cc[nH]c1 ZINC000449396083 388193309 /nfs/dbraw/zinc/19/33/09/388193309.db2.gz RHTUBCJALVGEFW-ZDUSSCGKSA-N 2 2 237.347 0.951 20 0 BCADLP NC(=O)C1([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000162501619 388195510 /nfs/dbraw/zinc/19/55/10/388195510.db2.gz BQFHXGIZMFNCKE-UHFFFAOYSA-N 2 2 225.336 0.470 20 0 BCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)COC ZINC000163447508 388291921 /nfs/dbraw/zinc/29/19/21/388291921.db2.gz QUJHHJVABNBCKS-VXGBXAGGSA-N 2 2 230.352 0.722 20 0 BCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)COC ZINC000163447508 388291922 /nfs/dbraw/zinc/29/19/22/388291922.db2.gz QUJHHJVABNBCKS-VXGBXAGGSA-N 2 2 230.352 0.722 20 0 BCADLP CC[NH+](CC)CCC[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000451754009 388293301 /nfs/dbraw/zinc/29/33/01/388293301.db2.gz BHXQYMITELVPCM-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](CC)CCC[N@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000451754009 388293302 /nfs/dbraw/zinc/29/33/02/388293302.db2.gz BHXQYMITELVPCM-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C\C[NH+](C)C ZINC000491883161 388326060 /nfs/dbraw/zinc/32/60/60/388326060.db2.gz KLGZSZFPCHIHBN-DOGVGXBMSA-N 2 2 236.319 0.506 20 0 BCADLP C[NH+](C)C/C=C/C(=O)N1CCn2cc[nH+]c2C1 ZINC000491884586 388326175 /nfs/dbraw/zinc/32/61/75/388326175.db2.gz NSWLDFITOSGPRD-ONEGZZNKSA-N 2 2 234.303 0.343 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)/C=C\C[NH+](C)C ZINC000492285388 388340424 /nfs/dbraw/zinc/34/04/24/388340424.db2.gz XMJZRUUCWNVRHD-WAYWQWQTSA-N 2 2 236.319 0.496 20 0 BCADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307960463 388357055 /nfs/dbraw/zinc/35/70/55/388357055.db2.gz WEQRJBBRPQPDBE-IUCAKERBSA-N 2 2 240.269 0.984 20 0 BCADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307960463 388357059 /nfs/dbraw/zinc/35/70/59/388357059.db2.gz WEQRJBBRPQPDBE-IUCAKERBSA-N 2 2 240.269 0.984 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)CC(F)(F)F ZINC000307960464 388357398 /nfs/dbraw/zinc/35/73/98/388357398.db2.gz WEQRJBBRPQPDBE-RKDXNWHRSA-N 2 2 240.269 0.984 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)CC(F)(F)F ZINC000307960464 388357402 /nfs/dbraw/zinc/35/74/02/388357402.db2.gz WEQRJBBRPQPDBE-RKDXNWHRSA-N 2 2 240.269 0.984 20 0 BCADLP CC1(C)C[NH2+][C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000646441094 388360340 /nfs/dbraw/zinc/36/03/40/388360340.db2.gz ZMQDSKQRRMONQM-VIFPVBQESA-N 2 2 222.292 0.066 20 0 BCADLP C[N@@H+]1CC[C@@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000524443878 388361308 /nfs/dbraw/zinc/36/13/08/388361308.db2.gz DEYGCPBMEVTTFZ-LLVKDONJSA-N 2 2 236.319 0.341 20 0 BCADLP C[N@H+]1CC[C@@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000524443878 388361311 /nfs/dbraw/zinc/36/13/11/388361311.db2.gz DEYGCPBMEVTTFZ-LLVKDONJSA-N 2 2 236.319 0.341 20 0 BCADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)[C@@H](C)O)C1 ZINC000519142096 256644247 /nfs/dbraw/zinc/64/42/47/256644247.db2.gz YNURGITUNJFUFX-MXWKQRLJSA-N 2 2 200.326 0.830 20 0 BCADLP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)[C@@H](C)O)C1 ZINC000519142096 256644248 /nfs/dbraw/zinc/64/42/48/256644248.db2.gz YNURGITUNJFUFX-MXWKQRLJSA-N 2 2 200.326 0.830 20 0 BCADLP [NH3+]CC[C@@H]([NH2+]CC1CC[NH2+]CC1)C(F)F ZINC000519708717 256657119 /nfs/dbraw/zinc/65/71/19/256657119.db2.gz NKVHHIDRWSCFDD-SECBINFHSA-N 3 2 221.295 0.558 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)/C=C\C[NH+](C)C ZINC000492113695 388335340 /nfs/dbraw/zinc/33/53/40/388335340.db2.gz XRAJFHASKSMYOE-PLNGDYQASA-N 2 2 222.292 0.452 20 0 BCADLP CN(C)C(=O)CC[NH2+]C(C)(C)C[NH+](C)C ZINC000308634436 388445717 /nfs/dbraw/zinc/44/57/17/388445717.db2.gz YSYMWNMZQOPWGO-UHFFFAOYSA-N 2 2 215.341 0.395 20 0 BCADLP Cc1n[nH]cc1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000335641523 388453092 /nfs/dbraw/zinc/45/30/92/388453092.db2.gz AWGZJCNWXMAPHV-MWLCHTKSSA-N 2 2 208.309 0.948 20 0 BCADLP CCOC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397291225 388457197 /nfs/dbraw/zinc/45/71/97/388457197.db2.gz AGBMXYZGWDUJIP-DCAQKATOSA-N 2 2 228.336 0.855 20 0 BCADLP CCOC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397291225 388457201 /nfs/dbraw/zinc/45/72/01/388457201.db2.gz AGBMXYZGWDUJIP-DCAQKATOSA-N 2 2 228.336 0.855 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+](C)C[C@H]1CCCO1)C1CC1 ZINC000336710893 388466145 /nfs/dbraw/zinc/46/61/45/388466145.db2.gz NEFYMJSSROXION-CHWSQXEVSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+](C)C[C@H]1CCCO1)C1CC1 ZINC000336710893 388466146 /nfs/dbraw/zinc/46/61/46/388466146.db2.gz NEFYMJSSROXION-CHWSQXEVSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C[C@H]1CCCO1 ZINC000336710893 388466148 /nfs/dbraw/zinc/46/61/48/388466148.db2.gz NEFYMJSSROXION-CHWSQXEVSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C[C@H]1CCCO1 ZINC000336710893 388466149 /nfs/dbraw/zinc/46/61/49/388466149.db2.gz NEFYMJSSROXION-CHWSQXEVSA-N 2 2 242.363 0.552 20 0 BCADLP OCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000134673528 388478512 /nfs/dbraw/zinc/47/85/12/388478512.db2.gz UQWHQIXHSWYCJC-UHFFFAOYSA-N 2 2 240.269 0.985 20 0 BCADLP Cc1nc(N2CC[NH+](C[C@H](C)O)CC2)cc[nH+]1 ZINC000174725877 388411821 /nfs/dbraw/zinc/41/18/21/388411821.db2.gz GJIHGPAGKHAQLD-JTQLQIEISA-N 2 2 236.319 0.288 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@]2(OC)CCOC2)C1 ZINC000328358273 388412531 /nfs/dbraw/zinc/41/25/31/388412531.db2.gz PIXPVQUEJARIJO-OLZOCXBDSA-N 2 2 242.363 0.866 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@]2(OC)CCOC2)C1 ZINC000328358273 388412533 /nfs/dbraw/zinc/41/25/33/388412533.db2.gz PIXPVQUEJARIJO-OLZOCXBDSA-N 2 2 242.363 0.866 20 0 BCADLP C[N@@H+]1CCN(Cc2cncs2)[C@H](C[NH3+])C1 ZINC000166666356 388429468 /nfs/dbraw/zinc/42/94/68/388429468.db2.gz XRAYXKLLQPCMCN-SECBINFHSA-N 2 2 226.349 0.218 20 0 BCADLP C[N@H+]1CCN(Cc2cncs2)[C@H](C[NH3+])C1 ZINC000166666356 388429471 /nfs/dbraw/zinc/42/94/71/388429471.db2.gz XRAYXKLLQPCMCN-SECBINFHSA-N 2 2 226.349 0.218 20 0 BCADLP Cn1c[nH+]cc1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000548460143 388540606 /nfs/dbraw/zinc/54/06/06/388540606.db2.gz YTCNUMCOAQLYLB-SNVBAGLBSA-N 2 2 236.319 0.031 20 0 BCADLP Cn1c[nH+]cc1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000548460143 388540609 /nfs/dbraw/zinc/54/06/09/388540609.db2.gz YTCNUMCOAQLYLB-SNVBAGLBSA-N 2 2 236.319 0.031 20 0 BCADLP C[C@H]([NH3+])[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000516874362 256804196 /nfs/dbraw/zinc/80/41/96/256804196.db2.gz AZCCYDWWWDWTOB-GUBZILKMSA-N 2 2 224.308 0.686 20 0 BCADLP C[C@H](CC(=O)N[C@H](C)[C@H](C)[NH3+])n1cc[nH+]c1 ZINC000516874363 256804757 /nfs/dbraw/zinc/80/47/57/256804757.db2.gz AZCCYDWWWDWTOB-KXUCPTDWSA-N 2 2 224.308 0.686 20 0 BCADLP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000516926944 388524809 /nfs/dbraw/zinc/52/48/09/388524809.db2.gz PRLAZMOPPPNGJH-CYBMUJFWSA-N 3 2 219.332 0.987 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1C[C@@H](O)C(C)(C)C1)C1CC1 ZINC000352349830 388535308 /nfs/dbraw/zinc/53/53/08/388535308.db2.gz NLYIATNZKXPSEW-VXGBXAGGSA-N 2 2 242.363 0.144 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1C[C@@H](O)C(C)(C)C1)C1CC1 ZINC000352349830 388535311 /nfs/dbraw/zinc/53/53/11/388535311.db2.gz NLYIATNZKXPSEW-VXGBXAGGSA-N 2 2 242.363 0.144 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+]1C[C@@H](O)C(C)(C)C1)C1CC1 ZINC000352349830 388535312 /nfs/dbraw/zinc/53/53/12/388535312.db2.gz NLYIATNZKXPSEW-VXGBXAGGSA-N 2 2 242.363 0.144 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+]1C[C@@H](O)C(C)(C)C1)C1CC1 ZINC000352349830 388535315 /nfs/dbraw/zinc/53/53/15/388535315.db2.gz NLYIATNZKXPSEW-VXGBXAGGSA-N 2 2 242.363 0.144 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+]Cc2ccccc2)C1 ZINC000203961272 388590936 /nfs/dbraw/zinc/59/09/36/388590936.db2.gz RZOPVGSDTLFSBH-ZDUSSCGKSA-N 2 2 220.316 0.843 20 0 BCADLP O[C@H]1CC[N@@H+](CC[NH2+]Cc2ccccc2)C1 ZINC000203961272 388590937 /nfs/dbraw/zinc/59/09/37/388590937.db2.gz RZOPVGSDTLFSBH-ZDUSSCGKSA-N 2 2 220.316 0.843 20 0 BCADLP CC[C@@H]([NH3+])C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000649306494 388591542 /nfs/dbraw/zinc/59/15/42/388591542.db2.gz VHUCCRLJNAGMSX-CYBMUJFWSA-N 2 2 247.342 0.856 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC000550631190 388611106 /nfs/dbraw/zinc/61/11/06/388611106.db2.gz KATGLDITNIPTED-LLVKDONJSA-N 2 2 248.330 0.442 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC000550631190 388611108 /nfs/dbraw/zinc/61/11/08/388611108.db2.gz KATGLDITNIPTED-LLVKDONJSA-N 2 2 248.330 0.442 20 0 BCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC([NH+](C)C)C1 ZINC000517583156 388554418 /nfs/dbraw/zinc/55/44/18/388554418.db2.gz AXGHMNCOTVBTQC-SECBINFHSA-N 2 2 236.319 0.361 20 0 BCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC([NH+](C)C)C1 ZINC000517583156 388554420 /nfs/dbraw/zinc/55/44/20/388554420.db2.gz AXGHMNCOTVBTQC-SECBINFHSA-N 2 2 236.319 0.361 20 0 BCADLP CCOC[C@H]1C[N@H+](CCn2cc[nH+]c2)CCO1 ZINC000528725280 388561666 /nfs/dbraw/zinc/56/16/66/388561666.db2.gz PDKTZUBNJQMEGH-GFCCVEGCSA-N 2 2 239.319 0.620 20 0 BCADLP CCOC[C@H]1C[N@@H+](CCn2cc[nH+]c2)CCO1 ZINC000528725280 388561672 /nfs/dbraw/zinc/56/16/72/388561672.db2.gz PDKTZUBNJQMEGH-GFCCVEGCSA-N 2 2 239.319 0.620 20 0 BCADLP CCC(C)(C)CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000646832037 388562392 /nfs/dbraw/zinc/56/23/92/388562392.db2.gz ZZXFPOQUGXTBMD-NSHDSACASA-N 2 2 241.379 0.914 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000224542414 388665950 /nfs/dbraw/zinc/66/59/50/388665950.db2.gz NKZITJUHKLGEJX-BBBLOLIVSA-N 2 2 225.336 0.465 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000224542414 388665953 /nfs/dbraw/zinc/66/59/53/388665953.db2.gz NKZITJUHKLGEJX-BBBLOLIVSA-N 2 2 225.336 0.465 20 0 BCADLP CCNC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000125771778 388677027 /nfs/dbraw/zinc/67/70/27/388677027.db2.gz FYQLVRDUWZWKLQ-RYUDHWBXSA-N 2 2 241.379 0.785 20 0 BCADLP CCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000125771778 388677028 /nfs/dbraw/zinc/67/70/28/388677028.db2.gz FYQLVRDUWZWKLQ-RYUDHWBXSA-N 2 2 241.379 0.785 20 0 BCADLP CCNC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000125771778 388677030 /nfs/dbraw/zinc/67/70/30/388677030.db2.gz FYQLVRDUWZWKLQ-RYUDHWBXSA-N 2 2 241.379 0.785 20 0 BCADLP CCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000125771778 388677031 /nfs/dbraw/zinc/67/70/31/388677031.db2.gz FYQLVRDUWZWKLQ-RYUDHWBXSA-N 2 2 241.379 0.785 20 0 BCADLP CCn1nncc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000530208568 388626675 /nfs/dbraw/zinc/62/66/75/388626675.db2.gz HTQXBUYTDKMLCU-UWVGGRQHSA-N 2 2 209.297 0.267 20 0 BCADLP C[N@@H+](Cc1cc(CO)ccc1F)C[C@H](O)C[NH3+] ZINC000530228060 388636647 /nfs/dbraw/zinc/63/66/47/388636647.db2.gz YCFPGVTXEPPBSR-LLVKDONJSA-N 2 2 242.294 0.069 20 0 BCADLP C[N@H+](Cc1cc(CO)ccc1F)C[C@H](O)C[NH3+] ZINC000530228060 388636649 /nfs/dbraw/zinc/63/66/49/388636649.db2.gz YCFPGVTXEPPBSR-LLVKDONJSA-N 2 2 242.294 0.069 20 0 BCADLP CCOC[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000530232866 388636862 /nfs/dbraw/zinc/63/68/62/388636862.db2.gz UFPMBWCDKAJIKE-OLZOCXBDSA-N 2 2 242.363 0.723 20 0 BCADLP CCOC[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000530232866 388636863 /nfs/dbraw/zinc/63/68/63/388636863.db2.gz UFPMBWCDKAJIKE-OLZOCXBDSA-N 2 2 242.363 0.723 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000530233343 388636882 /nfs/dbraw/zinc/63/68/82/388636882.db2.gz FASGPHUZOHKHAO-NSHDSACASA-N 2 2 236.319 0.929 20 0 BCADLP C[NH2+]CCC[N@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000530233343 388636883 /nfs/dbraw/zinc/63/68/83/388636883.db2.gz FASGPHUZOHKHAO-NSHDSACASA-N 2 2 236.319 0.929 20 0 BCADLP CCOC[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000530232870 388636959 /nfs/dbraw/zinc/63/69/59/388636959.db2.gz UFPMBWCDKAJIKE-STQMWFEESA-N 2 2 242.363 0.723 20 0 BCADLP CCOC[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000530232870 388636962 /nfs/dbraw/zinc/63/69/62/388636962.db2.gz UFPMBWCDKAJIKE-STQMWFEESA-N 2 2 242.363 0.723 20 0 BCADLP [NH3+]CC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241750 388637606 /nfs/dbraw/zinc/63/76/06/388637606.db2.gz QRGLRZVQPPWPPN-LBPRGKRZSA-N 3 2 227.352 0.036 20 0 BCADLP NC(=O)CC[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530245473 388639126 /nfs/dbraw/zinc/63/91/26/388639126.db2.gz YOTCZQKHGIJQMF-LLVKDONJSA-N 2 2 225.336 0.468 20 0 BCADLP NC(=O)CC[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000530245473 388639127 /nfs/dbraw/zinc/63/91/27/388639127.db2.gz YOTCZQKHGIJQMF-LLVKDONJSA-N 2 2 225.336 0.468 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](CC[C@@H]2CCCO2)CCO1 ZINC000083525935 388643395 /nfs/dbraw/zinc/64/33/95/388643395.db2.gz XUGKMFGTZNSQHX-WDEREUQCSA-N 2 2 214.309 0.215 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)CCO1 ZINC000083525935 388643398 /nfs/dbraw/zinc/64/33/98/388643398.db2.gz XUGKMFGTZNSQHX-WDEREUQCSA-N 2 2 214.309 0.215 20 0 BCADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000551921751 388647875 /nfs/dbraw/zinc/64/78/75/388647875.db2.gz JXNMGFGQIRDKAU-UWVGGRQHSA-N 2 2 248.330 0.335 20 0 BCADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000551921751 388647876 /nfs/dbraw/zinc/64/78/76/388647876.db2.gz JXNMGFGQIRDKAU-UWVGGRQHSA-N 2 2 248.330 0.335 20 0 BCADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000551921751 388647880 /nfs/dbraw/zinc/64/78/80/388647880.db2.gz JXNMGFGQIRDKAU-UWVGGRQHSA-N 2 2 248.330 0.335 20 0 BCADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000551921751 388647882 /nfs/dbraw/zinc/64/78/82/388647882.db2.gz JXNMGFGQIRDKAU-UWVGGRQHSA-N 2 2 248.330 0.335 20 0 BCADLP Cn1cnnc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246806057 388652567 /nfs/dbraw/zinc/65/25/67/388652567.db2.gz JGSJRDOFFLVKCC-NWDGAFQWSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cnnc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246806057 388652568 /nfs/dbraw/zinc/65/25/68/388652568.db2.gz JGSJRDOFFLVKCC-NWDGAFQWSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cnnc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246806057 388652569 /nfs/dbraw/zinc/65/25/69/388652569.db2.gz JGSJRDOFFLVKCC-NWDGAFQWSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cnnc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246806057 388652570 /nfs/dbraw/zinc/65/25/70/388652570.db2.gz JGSJRDOFFLVKCC-NWDGAFQWSA-N 2 2 249.362 0.731 20 0 BCADLP CCCNC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000261589011 135229138 /nfs/dbraw/zinc/22/91/38/135229138.db2.gz STLWNCKZQCKNLR-NSHDSACASA-N 2 2 213.325 0.230 20 0 BCADLP Cn1cnnc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000140058755 388656894 /nfs/dbraw/zinc/65/68/94/388656894.db2.gz JGSJRDOFFLVKCC-NEPJUHHUSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cnnc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000140058755 388656897 /nfs/dbraw/zinc/65/68/97/388656897.db2.gz JGSJRDOFFLVKCC-NEPJUHHUSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cnnc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000140058755 388656899 /nfs/dbraw/zinc/65/68/99/388656899.db2.gz JGSJRDOFFLVKCC-NEPJUHHUSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cnnc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000140058755 388656901 /nfs/dbraw/zinc/65/69/01/388656901.db2.gz JGSJRDOFFLVKCC-NEPJUHHUSA-N 2 2 249.362 0.731 20 0 BCADLP C[NH+]1CCN(C(=O)C[NH+]2C3CCC2CC3)CC1 ZINC000538967021 388743629 /nfs/dbraw/zinc/74/36/29/388743629.db2.gz SRIOIVOWCJFPQZ-UHFFFAOYSA-N 2 2 237.347 0.387 20 0 BCADLP C[C@H](CO)[N@@H+](CCCn1cc[nH+]c1)C[C@H](C)O ZINC000248902578 388698463 /nfs/dbraw/zinc/69/84/63/388698463.db2.gz HNMYFKPWOLCGKN-NEPJUHHUSA-N 2 2 241.335 0.337 20 0 BCADLP C[C@H](CO)[N@H+](CCCn1cc[nH+]c1)C[C@H](C)O ZINC000248902578 388698465 /nfs/dbraw/zinc/69/84/65/388698465.db2.gz HNMYFKPWOLCGKN-NEPJUHHUSA-N 2 2 241.335 0.337 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CCOC[C@H]1C ZINC000249094301 388708093 /nfs/dbraw/zinc/70/80/93/388708093.db2.gz LKEPTKZGRUTDAV-VXGBXAGGSA-N 2 2 230.352 0.315 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCOC[C@H]1C ZINC000249094301 388708097 /nfs/dbraw/zinc/70/80/97/388708097.db2.gz LKEPTKZGRUTDAV-VXGBXAGGSA-N 2 2 230.352 0.315 20 0 BCADLP CCCn1ncnc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000127239008 388718718 /nfs/dbraw/zinc/71/87/18/388718718.db2.gz CEULSTVJZCULTM-MNOVXSKESA-N 2 2 237.351 0.857 20 0 BCADLP CCCn1ncnc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000127239008 388718721 /nfs/dbraw/zinc/71/87/21/388718721.db2.gz CEULSTVJZCULTM-MNOVXSKESA-N 2 2 237.351 0.857 20 0 BCADLP C[C@H](CO)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000252708921 388772413 /nfs/dbraw/zinc/77/24/13/388772413.db2.gz BMAHGAKWGRBMIQ-DCAQKATOSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H](CO)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000252708921 388772419 /nfs/dbraw/zinc/77/24/19/388772419.db2.gz BMAHGAKWGRBMIQ-DCAQKATOSA-N 2 2 212.337 0.830 20 0 BCADLP CCCn1ncnc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252758036 388780910 /nfs/dbraw/zinc/78/09/10/388780910.db2.gz CEULSTVJZCULTM-QWRGUYRKSA-N 2 2 237.351 0.857 20 0 BCADLP CCCn1ncnc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252758036 388780914 /nfs/dbraw/zinc/78/09/14/388780914.db2.gz CEULSTVJZCULTM-QWRGUYRKSA-N 2 2 237.351 0.857 20 0 BCADLP C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C[N@@H+]1C1CC1 ZINC000555228186 388844048 /nfs/dbraw/zinc/84/40/48/388844048.db2.gz UYGDGDXKFIIGHQ-WDEREUQCSA-N 2 2 248.330 0.625 20 0 BCADLP C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C[N@H+]1C1CC1 ZINC000555228186 388844056 /nfs/dbraw/zinc/84/40/56/388844056.db2.gz UYGDGDXKFIIGHQ-WDEREUQCSA-N 2 2 248.330 0.625 20 0 BCADLP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000564822563 388891493 /nfs/dbraw/zinc/89/14/93/388891493.db2.gz FAGWRGXNQJOJCL-ZJUUUORDSA-N 2 2 235.335 0.899 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000565092837 388913558 /nfs/dbraw/zinc/91/35/58/388913558.db2.gz HQOBEFLFEOORPZ-VXGBXAGGSA-N 2 2 230.352 0.314 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000565092837 388913560 /nfs/dbraw/zinc/91/35/60/388913560.db2.gz HQOBEFLFEOORPZ-VXGBXAGGSA-N 2 2 230.352 0.314 20 0 BCADLP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000565173705 388921282 /nfs/dbraw/zinc/92/12/82/388921282.db2.gz UKKBESBMEFIVTG-TUAOUCFPSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000565173705 388921287 /nfs/dbraw/zinc/92/12/87/388921287.db2.gz UKKBESBMEFIVTG-TUAOUCFPSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000565173705 388921284 /nfs/dbraw/zinc/92/12/84/388921284.db2.gz UKKBESBMEFIVTG-TUAOUCFPSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000565173705 388921290 /nfs/dbraw/zinc/92/12/90/388921290.db2.gz UKKBESBMEFIVTG-TUAOUCFPSA-N 2 2 228.336 0.162 20 0 BCADLP CC(C)[C@H]([NH3+])CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000565251558 388932740 /nfs/dbraw/zinc/93/27/40/388932740.db2.gz XSIBTDAZDLWPLJ-SNVBAGLBSA-N 2 2 239.323 0.534 20 0 BCADLP CC(C)[C@H]([NH3+])CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000565251558 388932736 /nfs/dbraw/zinc/93/27/36/388932736.db2.gz XSIBTDAZDLWPLJ-SNVBAGLBSA-N 2 2 239.323 0.534 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000565748707 388967445 /nfs/dbraw/zinc/96/74/45/388967445.db2.gz AUCRTNZVINCSKX-SNVBAGLBSA-N 2 2 234.303 0.236 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000565748707 388967448 /nfs/dbraw/zinc/96/74/48/388967448.db2.gz AUCRTNZVINCSKX-SNVBAGLBSA-N 2 2 234.303 0.236 20 0 BCADLP C[C@H](O)[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000305647400 388948131 /nfs/dbraw/zinc/94/81/31/388948131.db2.gz SMUXUIIQVWMRIO-RYUDHWBXSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H](O)[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000305647400 388948126 /nfs/dbraw/zinc/94/81/26/388948126.db2.gz SMUXUIIQVWMRIO-RYUDHWBXSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H](O)[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000305647395 388948193 /nfs/dbraw/zinc/94/81/93/388948193.db2.gz SMUXUIIQVWMRIO-NWDGAFQWSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H](O)[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000305647395 388948196 /nfs/dbraw/zinc/94/81/96/388948196.db2.gz SMUXUIIQVWMRIO-NWDGAFQWSA-N 2 2 223.320 0.976 20 0 BCADLP CSC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000566117305 388989189 /nfs/dbraw/zinc/98/91/89/388989189.db2.gz QLTUCESWQXHMCE-UWVGGRQHSA-N 2 2 218.366 0.394 20 0 BCADLP CSC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000566117305 388989191 /nfs/dbraw/zinc/98/91/91/388989191.db2.gz QLTUCESWQXHMCE-UWVGGRQHSA-N 2 2 218.366 0.394 20 0 BCADLP CC[C@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@@H]1O ZINC000272011301 389027966 /nfs/dbraw/zinc/02/79/66/389027966.db2.gz JXQRVGDTQBPELM-RYUDHWBXSA-N 2 2 223.320 0.976 20 0 BCADLP CC[C@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@@H]1O ZINC000272011301 389027970 /nfs/dbraw/zinc/02/79/70/389027970.db2.gz JXQRVGDTQBPELM-RYUDHWBXSA-N 2 2 223.320 0.976 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]([NH3+])CC(C)C ZINC000269258865 389008720 /nfs/dbraw/zinc/00/87/20/389008720.db2.gz LHQDFPDNVQKJLV-VIFPVBQESA-N 2 2 224.308 0.708 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]([NH3+])C(C)C ZINC000269275816 389008707 /nfs/dbraw/zinc/00/87/07/389008707.db2.gz WXNZWQVVUAWAOR-SECBINFHSA-N 2 2 210.281 0.318 20 0 BCADLP COC(=O)C(C)(C)[NH2+]CCn1cc[nH+]c1C ZINC000270870189 389014584 /nfs/dbraw/zinc/01/45/84/389014584.db2.gz LPQHJZNZHULYTI-UHFFFAOYSA-N 2 2 225.292 0.733 20 0 BCADLP CC[C@H]1C[N@H+](CCn2cc[nH+]c2C)C[C@@H]1O ZINC000270944736 389014813 /nfs/dbraw/zinc/01/48/13/389014813.db2.gz ZHCCOJCDIVIUHZ-RYUDHWBXSA-N 2 2 223.320 0.894 20 0 BCADLP CC[C@H]1C[N@@H+](CCn2cc[nH+]c2C)C[C@@H]1O ZINC000270944736 389014818 /nfs/dbraw/zinc/01/48/18/389014818.db2.gz ZHCCOJCDIVIUHZ-RYUDHWBXSA-N 2 2 223.320 0.894 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000336780410 169854178 /nfs/dbraw/zinc/85/41/78/169854178.db2.gz RGDVRNNNDSJHAJ-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000336780410 169854179 /nfs/dbraw/zinc/85/41/79/169854179.db2.gz RGDVRNNNDSJHAJ-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1nncn1C ZINC000494789636 533403102 /nfs/dbraw/zinc/40/31/02/533403102.db2.gz DAXCZWITHWVUPD-GHMZBOCLSA-N 2 2 237.351 0.950 20 0 BCADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1nncn1C ZINC000494789636 533403109 /nfs/dbraw/zinc/40/31/09/533403109.db2.gz DAXCZWITHWVUPD-GHMZBOCLSA-N 2 2 237.351 0.950 20 0 BCADLP COC(=O)CC[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000305964171 533429561 /nfs/dbraw/zinc/42/95/61/533429561.db2.gz CBLFTDMMDJMEJO-QWHCGFSZSA-N 2 2 248.326 0.976 20 0 BCADLP COC(=O)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000305964171 533429566 /nfs/dbraw/zinc/42/95/66/533429566.db2.gz CBLFTDMMDJMEJO-QWHCGFSZSA-N 2 2 248.326 0.976 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)C(F)(F)F ZINC000082680989 322825456 /nfs/dbraw/zinc/82/54/56/322825456.db2.gz IXDOAYOJSJQEFD-SFYZADRCSA-N 2 2 237.225 0.784 20 0 BCADLP Cc1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)nc(C)[nH+]1 ZINC000371804303 132285516 /nfs/dbraw/zinc/28/55/16/132285516.db2.gz WGPNJFUKXQFXBW-LBPRGKRZSA-N 2 2 248.330 0.614 20 0 BCADLP Cc1cc(N2CC[N@H+]3CCOC[C@@H]3C2)nc(C)[nH+]1 ZINC000371804303 132285518 /nfs/dbraw/zinc/28/55/18/132285518.db2.gz WGPNJFUKXQFXBW-LBPRGKRZSA-N 2 2 248.330 0.614 20 0 BCADLP Cc1cc(N2C[C@@H](C)[NH2+][C@@H](C)C2)nc[nH+]1 ZINC000053712458 132363658 /nfs/dbraw/zinc/36/36/58/132363658.db2.gz QMYYIGVVHMDTQB-AOOOYVTPSA-N 2 2 206.293 0.972 20 0 BCADLP [NH3+]CC1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000336031442 134058439 /nfs/dbraw/zinc/05/84/39/134058439.db2.gz HEODTQBXHFFCSE-SECBINFHSA-N 2 2 247.289 0.181 20 0 BCADLP CNC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000336111959 134086689 /nfs/dbraw/zinc/08/66/89/134086689.db2.gz CPRRMEXQDUQLIY-SECBINFHSA-N 2 2 222.292 0.335 20 0 BCADLP CNC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000336111959 134086690 /nfs/dbraw/zinc/08/66/90/134086690.db2.gz CPRRMEXQDUQLIY-SECBINFHSA-N 2 2 222.292 0.335 20 0 BCADLP C[NH2+]C1CC[NH+]([C@H]2CCN(C(C)C)C2=O)CC1 ZINC000336126344 134093103 /nfs/dbraw/zinc/09/31/03/134093103.db2.gz HTHRSLPUQSRQFO-LBPRGKRZSA-N 2 2 239.363 0.680 20 0 BCADLP CCOC(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000167665257 134154022 /nfs/dbraw/zinc/15/40/22/134154022.db2.gz RNLUBVNQUVMYIH-VHSXEESVSA-N 2 2 214.309 0.466 20 0 BCADLP CCOC(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000167665257 134154023 /nfs/dbraw/zinc/15/40/23/134154023.db2.gz RNLUBVNQUVMYIH-VHSXEESVSA-N 2 2 214.309 0.466 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000168622493 134232346 /nfs/dbraw/zinc/23/23/46/134232346.db2.gz ZNEVYRBKBUVCLV-CMPLNLGQSA-N 2 2 239.319 0.273 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000168622493 134232347 /nfs/dbraw/zinc/23/23/47/134232347.db2.gz ZNEVYRBKBUVCLV-CMPLNLGQSA-N 2 2 239.319 0.273 20 0 BCADLP CC(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177147404 134295636 /nfs/dbraw/zinc/29/56/36/134295636.db2.gz YOQIIFNAZFAAOW-UHFFFAOYSA-N 2 2 241.379 0.785 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC000177837520 134303392 /nfs/dbraw/zinc/30/33/92/134303392.db2.gz HSAZPLGCMMYAKS-JTQLQIEISA-N 2 2 213.325 0.006 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC000177837520 134303393 /nfs/dbraw/zinc/30/33/93/134303393.db2.gz HSAZPLGCMMYAKS-JTQLQIEISA-N 2 2 213.325 0.006 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC000177837520 134303394 /nfs/dbraw/zinc/30/33/94/134303394.db2.gz HSAZPLGCMMYAKS-JTQLQIEISA-N 2 2 213.325 0.006 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC000177837520 134303395 /nfs/dbraw/zinc/30/33/95/134303395.db2.gz HSAZPLGCMMYAKS-JTQLQIEISA-N 2 2 213.325 0.006 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000177839479 134303764 /nfs/dbraw/zinc/30/37/64/134303764.db2.gz HVCRRDGNRFRHSK-LLVKDONJSA-N 2 2 227.352 0.396 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000177839479 134303765 /nfs/dbraw/zinc/30/37/65/134303765.db2.gz HVCRRDGNRFRHSK-LLVKDONJSA-N 2 2 227.352 0.396 20 0 BCADLP CCNC(=O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000177839479 134303766 /nfs/dbraw/zinc/30/37/66/134303766.db2.gz HVCRRDGNRFRHSK-LLVKDONJSA-N 2 2 227.352 0.396 20 0 BCADLP CCNC(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000177839479 134303767 /nfs/dbraw/zinc/30/37/67/134303767.db2.gz HVCRRDGNRFRHSK-LLVKDONJSA-N 2 2 227.352 0.396 20 0 BCADLP C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(C[NH3+])o1 ZINC000226402292 134365092 /nfs/dbraw/zinc/36/50/92/134365092.db2.gz AFUBEJXUYKQGPE-VIFPVBQESA-N 2 2 237.303 0.514 20 0 BCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C[NH3+])o1 ZINC000226402292 134365093 /nfs/dbraw/zinc/36/50/93/134365093.db2.gz AFUBEJXUYKQGPE-VIFPVBQESA-N 2 2 237.303 0.514 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCCOCCO)C[N@@H+]1C1CC1 ZINC000227334838 134377837 /nfs/dbraw/zinc/37/78/37/134377837.db2.gz XZXXEHNCMIFCTM-NWDGAFQWSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCCOCCO)C[N@H+]1C1CC1 ZINC000227334838 134377838 /nfs/dbraw/zinc/37/78/38/134377838.db2.gz XZXXEHNCMIFCTM-NWDGAFQWSA-N 2 2 242.363 0.600 20 0 BCADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(N)=O ZINC000076176574 135014910 /nfs/dbraw/zinc/01/49/10/135014910.db2.gz HNRYUVXHPVAWDN-JTQLQIEISA-N 2 2 213.325 0.278 20 0 BCADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(N)=O ZINC000076176574 135014911 /nfs/dbraw/zinc/01/49/11/135014911.db2.gz HNRYUVXHPVAWDN-JTQLQIEISA-N 2 2 213.325 0.278 20 0 BCADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(N)=O ZINC000076176574 135014913 /nfs/dbraw/zinc/01/49/13/135014913.db2.gz HNRYUVXHPVAWDN-JTQLQIEISA-N 2 2 213.325 0.278 20 0 BCADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(N)=O ZINC000076176574 135014914 /nfs/dbraw/zinc/01/49/14/135014914.db2.gz HNRYUVXHPVAWDN-JTQLQIEISA-N 2 2 213.325 0.278 20 0 BCADLP CC[N@H+](C)CC[NH2+]C1CCC(O)CC1 ZINC000233432812 135032923 /nfs/dbraw/zinc/03/29/23/135032923.db2.gz LLGABMLAMWUZBX-UHFFFAOYSA-N 2 2 200.326 0.831 20 0 BCADLP CC[N@@H+](C)CC[NH2+]C1CCC(O)CC1 ZINC000233432812 135032926 /nfs/dbraw/zinc/03/29/26/135032926.db2.gz LLGABMLAMWUZBX-UHFFFAOYSA-N 2 2 200.326 0.831 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000250751922 135059100 /nfs/dbraw/zinc/05/91/00/135059100.db2.gz PEULEHKYDSBXMI-QWRGUYRKSA-N 2 2 225.336 0.149 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC000250751922 135059101 /nfs/dbraw/zinc/05/91/01/135059101.db2.gz PEULEHKYDSBXMI-QWRGUYRKSA-N 2 2 225.336 0.149 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)CC[N@@H+]1C ZINC000252165919 135085738 /nfs/dbraw/zinc/08/57/38/135085738.db2.gz QLWSMQFVIVBHBR-MXWKQRLJSA-N 2 2 225.336 0.337 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)CC[N@H+]1C ZINC000252165919 135085740 /nfs/dbraw/zinc/08/57/40/135085740.db2.gz QLWSMQFVIVBHBR-MXWKQRLJSA-N 2 2 225.336 0.337 20 0 BCADLP C[C@H]1CCC[N@H+](CC(=O)N(C)C)[C@H]1C[NH3+] ZINC000252202674 135086924 /nfs/dbraw/zinc/08/69/24/135086924.db2.gz UKPKMXJBAVXKLU-UWVGGRQHSA-N 2 2 213.325 0.134 20 0 BCADLP C[C@H]1CCC[N@@H+](CC(=O)N(C)C)[C@H]1C[NH3+] ZINC000252202674 135086925 /nfs/dbraw/zinc/08/69/25/135086925.db2.gz UKPKMXJBAVXKLU-UWVGGRQHSA-N 2 2 213.325 0.134 20 0 BCADLP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)nn1 ZINC000252512972 135092529 /nfs/dbraw/zinc/09/25/29/135092529.db2.gz GBGVPSYYVXXTGF-JQWIXIFHSA-N 2 2 235.335 0.532 20 0 BCADLP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)nn1 ZINC000252512972 135092530 /nfs/dbraw/zinc/09/25/30/135092530.db2.gz GBGVPSYYVXXTGF-JQWIXIFHSA-N 2 2 235.335 0.532 20 0 BCADLP OC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000086730037 135094971 /nfs/dbraw/zinc/09/49/71/135094971.db2.gz GZLRFRBGMXAHBJ-STQMWFEESA-N 2 2 220.316 0.542 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cn1 ZINC000257708900 135100502 /nfs/dbraw/zinc/10/05/02/135100502.db2.gz SFTPAPVNJAPAGY-CYBMUJFWSA-N 2 2 234.347 0.996 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cn1 ZINC000257708900 135100503 /nfs/dbraw/zinc/10/05/03/135100503.db2.gz SFTPAPVNJAPAGY-CYBMUJFWSA-N 2 2 234.347 0.996 20 0 BCADLP CC1(C[NH2+]CCCn2cc[nH+]c2)COC1 ZINC000087197560 135112400 /nfs/dbraw/zinc/11/24/00/135112400.db2.gz YFHARRNENXAGEY-UHFFFAOYSA-N 2 2 209.293 0.899 20 0 BCADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000252957698 135117494 /nfs/dbraw/zinc/11/74/94/135117494.db2.gz SLUJQTUAWCSIST-VWYCJHECSA-N 2 2 200.326 0.951 20 0 BCADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cnnn1C ZINC000253189720 135123946 /nfs/dbraw/zinc/12/39/46/135123946.db2.gz KMXCVRSLSFBBRE-GXSJLCMTSA-N 2 2 223.324 0.245 20 0 BCADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cnnn1C ZINC000253189720 135123947 /nfs/dbraw/zinc/12/39/47/135123947.db2.gz KMXCVRSLSFBBRE-GXSJLCMTSA-N 2 2 223.324 0.245 20 0 BCADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000087472743 135142254 /nfs/dbraw/zinc/14/22/54/135142254.db2.gz MYLXHUGQSMQZOY-JTQLQIEISA-N 2 2 229.368 0.831 20 0 BCADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000087472743 135142255 /nfs/dbraw/zinc/14/22/55/135142255.db2.gz MYLXHUGQSMQZOY-JTQLQIEISA-N 2 2 229.368 0.831 20 0 BCADLP CC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)CCC[NH2+]C ZINC000087472642 135142295 /nfs/dbraw/zinc/14/22/95/135142295.db2.gz YUJOOTSFRSZQIJ-MNOVXSKESA-N 2 2 229.368 0.831 20 0 BCADLP CC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CCC[NH2+]C ZINC000087472642 135142297 /nfs/dbraw/zinc/14/22/97/135142297.db2.gz YUJOOTSFRSZQIJ-MNOVXSKESA-N 2 2 229.368 0.831 20 0 BCADLP Cc1[nH]ncc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261545707 135150123 /nfs/dbraw/zinc/15/01/23/135150123.db2.gz KERXZRKXILKGAW-WCBMZHEXSA-N 2 2 208.309 0.887 20 0 BCADLP Cc1[nH]ncc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261545707 135150125 /nfs/dbraw/zinc/15/01/25/135150125.db2.gz KERXZRKXILKGAW-WCBMZHEXSA-N 2 2 208.309 0.887 20 0 BCADLP CCOC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261527397 135152466 /nfs/dbraw/zinc/15/24/66/135152466.db2.gz APTSENJPHKLSBH-SNVBAGLBSA-N 2 2 200.282 0.220 20 0 BCADLP CCOC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261527397 135152467 /nfs/dbraw/zinc/15/24/67/135152467.db2.gz APTSENJPHKLSBH-SNVBAGLBSA-N 2 2 200.282 0.220 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCSC1 ZINC000261531351 135160295 /nfs/dbraw/zinc/16/02/95/135160295.db2.gz GEROOENLFVWSQO-VWYCJHECSA-N 2 2 230.377 0.849 20 0 BCADLP c1cn(CCC[NH2+]C[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000087646297 135160978 /nfs/dbraw/zinc/16/09/78/135160978.db2.gz DINCDVIUCVFZIT-LBPRGKRZSA-N 3 2 222.336 0.862 20 0 BCADLP COCC(C)(C)C[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000261532906 135164323 /nfs/dbraw/zinc/16/43/23/135164323.db2.gz APNLZAIDIQBSBZ-SNVBAGLBSA-N 2 2 216.325 0.319 20 0 BCADLP COCC(C)(C)C[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000261532906 135164324 /nfs/dbraw/zinc/16/43/24/135164324.db2.gz APNLZAIDIQBSBZ-SNVBAGLBSA-N 2 2 216.325 0.319 20 0 BCADLP CN1CC[N@H+](CC[NH3+])Cc2ccccc21 ZINC000261533588 135164801 /nfs/dbraw/zinc/16/48/01/135164801.db2.gz KZWBNCSUGAXXQV-UHFFFAOYSA-N 2 2 205.305 0.897 20 0 BCADLP CN1CC[N@@H+](CC[NH3+])Cc2ccccc21 ZINC000261533588 135164802 /nfs/dbraw/zinc/16/48/02/135164802.db2.gz KZWBNCSUGAXXQV-UHFFFAOYSA-N 2 2 205.305 0.897 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CCSC[C@@H]1CCO ZINC000261538709 135176370 /nfs/dbraw/zinc/17/63/70/135176370.db2.gz ZABQKMKAYNKKDJ-VIFPVBQESA-N 2 2 218.366 0.524 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CCSC[C@@H]1CCO ZINC000261538709 135176371 /nfs/dbraw/zinc/17/63/71/135176371.db2.gz ZABQKMKAYNKKDJ-VIFPVBQESA-N 2 2 218.366 0.524 20 0 BCADLP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000084216426 135192866 /nfs/dbraw/zinc/19/28/66/135192866.db2.gz ZJYCTXMWQYJMGY-VXGBXAGGSA-N 3 2 222.336 0.990 20 0 BCADLP O[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000084227063 135194101 /nfs/dbraw/zinc/19/41/01/135194101.db2.gz OEHHPOYFDCDVMZ-NQBHXWOUSA-N 2 2 224.348 0.974 20 0 BCADLP O[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000084227063 135194104 /nfs/dbraw/zinc/19/41/04/135194104.db2.gz OEHHPOYFDCDVMZ-NQBHXWOUSA-N 2 2 224.348 0.974 20 0 BCADLP CC(C)(C)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261555211 135195616 /nfs/dbraw/zinc/19/56/16/135195616.db2.gz PLUGSJQMMAYAQB-QWRGUYRKSA-N 2 2 239.363 0.442 20 0 BCADLP CC(C)(C)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261555211 135195617 /nfs/dbraw/zinc/19/56/17/135195617.db2.gz PLUGSJQMMAYAQB-QWRGUYRKSA-N 2 2 239.363 0.442 20 0 BCADLP c1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n[nH]1 ZINC000261555986 135196312 /nfs/dbraw/zinc/19/63/12/135196312.db2.gz VNBGRCRFBVGTQZ-NXEZZACHSA-N 2 2 206.293 0.451 20 0 BCADLP c1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n[nH]1 ZINC000261555986 135196313 /nfs/dbraw/zinc/19/63/13/135196313.db2.gz VNBGRCRFBVGTQZ-NXEZZACHSA-N 2 2 206.293 0.451 20 0 BCADLP CCCNC(=O)[C@@H]1CCC[N@H+](CC[NH3+])C1 ZINC000261556202 135196471 /nfs/dbraw/zinc/19/64/71/135196471.db2.gz VRCOQIHDDOTLEX-SNVBAGLBSA-N 2 2 213.325 0.183 20 0 BCADLP CCCNC(=O)[C@@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000261556202 135196473 /nfs/dbraw/zinc/19/64/73/135196473.db2.gz VRCOQIHDDOTLEX-SNVBAGLBSA-N 2 2 213.325 0.183 20 0 BCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCC1CC1 ZINC000261558840 135199951 /nfs/dbraw/zinc/19/99/51/135199951.db2.gz SSWBMRITMXTAQJ-VXGBXAGGSA-N 2 2 237.347 0.054 20 0 BCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCC1CC1 ZINC000261558840 135199953 /nfs/dbraw/zinc/19/99/53/135199953.db2.gz SSWBMRITMXTAQJ-VXGBXAGGSA-N 2 2 237.347 0.054 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000261561785 135202510 /nfs/dbraw/zinc/20/25/10/135202510.db2.gz AUUQTKGZYOJLJI-LBPRGKRZSA-N 2 2 220.320 0.606 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261561365 135202680 /nfs/dbraw/zinc/20/26/80/135202680.db2.gz VGGNFSGARWBQKC-SDDRHHMPSA-N 2 2 239.363 0.585 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261561365 135202682 /nfs/dbraw/zinc/20/26/82/135202682.db2.gz VGGNFSGARWBQKC-SDDRHHMPSA-N 2 2 239.363 0.585 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCn1cc(C)cn1 ZINC000261564462 135205783 /nfs/dbraw/zinc/20/57/83/135205783.db2.gz CPDBLLNPRKIDNW-GFCCVEGCSA-N 2 2 222.336 0.875 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1CCn1cc(C)cn1 ZINC000261564462 135205785 /nfs/dbraw/zinc/20/57/85/135205785.db2.gz CPDBLLNPRKIDNW-GFCCVEGCSA-N 2 2 222.336 0.875 20 0 BCADLP Cn1ncc(Cl)c1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000261564257 135206273 /nfs/dbraw/zinc/20/62/73/135206273.db2.gz CLIXSDWTDWIFOM-QMMMGPOBSA-N 2 2 228.727 0.854 20 0 BCADLP Cn1ncc(Cl)c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000261564257 135206274 /nfs/dbraw/zinc/20/62/74/135206274.db2.gz CLIXSDWTDWIFOM-QMMMGPOBSA-N 2 2 228.727 0.854 20 0 BCADLP CN1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1=O ZINC000261566099 135208203 /nfs/dbraw/zinc/20/82/03/135208203.db2.gz ICVDBVCQVXQAQX-OASPWFOLSA-N 2 2 245.326 0.952 20 0 BCADLP COC(=O)C(C)(C)CC[N@@H+]1CC[C@H]([NH3+])C1 ZINC000261566431 135208270 /nfs/dbraw/zinc/20/82/70/135208270.db2.gz DNYCMARQVSZXKO-VIFPVBQESA-N 2 2 214.309 0.609 20 0 BCADLP COC(=O)C(C)(C)CC[N@H+]1CC[C@H]([NH3+])C1 ZINC000261566431 135208271 /nfs/dbraw/zinc/20/82/71/135208271.db2.gz DNYCMARQVSZXKO-VIFPVBQESA-N 2 2 214.309 0.609 20 0 BCADLP Cc1[nH]ncc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261572002 135213825 /nfs/dbraw/zinc/21/38/25/135213825.db2.gz HYJUGLMDBHIESU-PSASIEDQSA-N 2 2 208.309 0.887 20 0 BCADLP Cc1[nH]ncc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261572002 135213827 /nfs/dbraw/zinc/21/38/27/135213827.db2.gz HYJUGLMDBHIESU-PSASIEDQSA-N 2 2 208.309 0.887 20 0 BCADLP Cn1nccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261573070 135214682 /nfs/dbraw/zinc/21/46/82/135214682.db2.gz ILRQIIVABZHENV-JQWIXIFHSA-N 2 2 220.320 0.604 20 0 BCADLP Cn1nccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261573070 135214684 /nfs/dbraw/zinc/21/46/84/135214684.db2.gz ILRQIIVABZHENV-JQWIXIFHSA-N 2 2 220.320 0.604 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261576688 135218346 /nfs/dbraw/zinc/21/83/46/135218346.db2.gz KOMZONLXCOAASW-MNOVXSKESA-N 2 2 225.336 0.195 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261576688 135218348 /nfs/dbraw/zinc/21/83/48/135218348.db2.gz KOMZONLXCOAASW-MNOVXSKESA-N 2 2 225.336 0.195 20 0 BCADLP CCC(=O)N[C@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000261580318 135221468 /nfs/dbraw/zinc/22/14/68/135221468.db2.gz MXVLTVVPMMJAJH-ZJUUUORDSA-N 2 2 213.325 0.324 20 0 BCADLP CCC(=O)N[C@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000261580318 135221470 /nfs/dbraw/zinc/22/14/70/135221470.db2.gz MXVLTVVPMMJAJH-ZJUUUORDSA-N 2 2 213.325 0.324 20 0 BCADLP CCC(=O)N[C@@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000261580317 135221520 /nfs/dbraw/zinc/22/15/20/135221520.db2.gz MXVLTVVPMMJAJH-VHSXEESVSA-N 2 2 213.325 0.324 20 0 BCADLP CCC(=O)N[C@@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000261580317 135221522 /nfs/dbraw/zinc/22/15/22/135221522.db2.gz MXVLTVVPMMJAJH-VHSXEESVSA-N 2 2 213.325 0.324 20 0 BCADLP C[C@H]1CCC[N@H+](CCn2cncn2)[C@@H]1C[NH3+] ZINC000261587938 135228386 /nfs/dbraw/zinc/22/83/86/135228386.db2.gz RZCOVXRZRHOPIU-WDEREUQCSA-N 2 2 223.324 0.337 20 0 BCADLP C[C@H]1CCC[N@@H+](CCn2cncn2)[C@@H]1C[NH3+] ZINC000261587938 135228387 /nfs/dbraw/zinc/22/83/87/135228387.db2.gz RZCOVXRZRHOPIU-WDEREUQCSA-N 2 2 223.324 0.337 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000261592626 135232657 /nfs/dbraw/zinc/23/26/57/135232657.db2.gz VYVIGNFRFCDYIT-NXEZZACHSA-N 2 2 230.377 0.930 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000261592626 135232658 /nfs/dbraw/zinc/23/26/58/135232658.db2.gz VYVIGNFRFCDYIT-NXEZZACHSA-N 2 2 230.377 0.930 20 0 BCADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)NCC1CC1 ZINC000261548239 135241924 /nfs/dbraw/zinc/24/19/24/135241924.db2.gz JDUQECJMTHBVBT-ZDUSSCGKSA-N 2 2 237.347 0.198 20 0 BCADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)NCC1CC1 ZINC000261548239 135241926 /nfs/dbraw/zinc/24/19/26/135241926.db2.gz JDUQECJMTHBVBT-ZDUSSCGKSA-N 2 2 237.347 0.198 20 0 BCADLP CC(=O)N1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261677347 135244903 /nfs/dbraw/zinc/24/49/03/135244903.db2.gz AAYGCQBSGXOXMZ-GFCCVEGCSA-N 2 2 225.336 0.150 20 0 BCADLP CO[C@@H](C)C[N@H+](Cc1noc(C[NH3+])n1)C(C)C ZINC000261741179 135249395 /nfs/dbraw/zinc/24/93/95/135249395.db2.gz MQMNLLRIHAFUIS-VIFPVBQESA-N 2 2 242.323 0.774 20 0 BCADLP CO[C@@H](C)C[N@@H+](Cc1noc(C[NH3+])n1)C(C)C ZINC000261741179 135249397 /nfs/dbraw/zinc/24/93/97/135249397.db2.gz MQMNLLRIHAFUIS-VIFPVBQESA-N 2 2 242.323 0.774 20 0 BCADLP C[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000261761503 135250931 /nfs/dbraw/zinc/25/09/31/135250931.db2.gz IATRZYLTNVMNRC-RKDXNWHRSA-N 2 2 222.292 0.811 20 0 BCADLP C[C@@H]([NH3+])CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000261781251 135252287 /nfs/dbraw/zinc/25/22/87/135252287.db2.gz BENUVXMJCLQUHH-GHMZBOCLSA-N 2 2 248.330 0.514 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000261815270 135255319 /nfs/dbraw/zinc/25/53/19/135255319.db2.gz XGZOBCXEFKBEMH-MRVPVSSYSA-N 2 2 208.265 0.086 20 0 BCADLP C[C@@]1(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000261866172 135257986 /nfs/dbraw/zinc/25/79/86/135257986.db2.gz NVFCNIGFBVIVNT-WDEREUQCSA-N 2 2 246.376 0.105 20 0 BCADLP C[C@@]1(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000261866172 135257987 /nfs/dbraw/zinc/25/79/87/135257987.db2.gz NVFCNIGFBVIVNT-WDEREUQCSA-N 2 2 246.376 0.105 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000261890689 135260712 /nfs/dbraw/zinc/26/07/12/135260712.db2.gz XKLMIUQHWSNJDQ-IVZWLZJFSA-N 2 2 225.336 0.310 20 0 BCADLP CC(C)([NH3+])C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000261890689 135260713 /nfs/dbraw/zinc/26/07/13/135260713.db2.gz XKLMIUQHWSNJDQ-IVZWLZJFSA-N 2 2 225.336 0.310 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000261906001 135261963 /nfs/dbraw/zinc/26/19/63/135261963.db2.gz FTAUFJUARIWWHO-JTQLQIEISA-N 2 2 248.330 0.724 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261923770 135263886 /nfs/dbraw/zinc/26/38/86/135263886.db2.gz XYLWXVFYONZBJF-JTQLQIEISA-N 2 2 236.319 0.724 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000342415927 135266913 /nfs/dbraw/zinc/26/69/13/135266913.db2.gz OIVBOBYLCXEGGJ-ZJUUUORDSA-N 2 2 236.319 0.234 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000342415927 135266914 /nfs/dbraw/zinc/26/69/14/135266914.db2.gz OIVBOBYLCXEGGJ-ZJUUUORDSA-N 2 2 236.319 0.234 20 0 BCADLP CO[C@H](C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1)C1CC1 ZINC000261981519 135269118 /nfs/dbraw/zinc/26/91/18/135269118.db2.gz IDDDMBKDOFWEJB-KGYLQXTDSA-N 2 2 242.363 0.768 20 0 BCADLP COc1ccc(CC[N@H+](CC[NH3+])CCO)cc1 ZINC000342424858 135273539 /nfs/dbraw/zinc/27/35/39/135273539.db2.gz SFDDOJMRHXIISU-UHFFFAOYSA-N 2 2 238.331 0.491 20 0 BCADLP COc1ccc(CC[N@@H+](CC[NH3+])CCO)cc1 ZINC000342424858 135273540 /nfs/dbraw/zinc/27/35/40/135273540.db2.gz SFDDOJMRHXIISU-UHFFFAOYSA-N 2 2 238.331 0.491 20 0 BCADLP CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC[NH3+])CC1 ZINC000262996168 135326477 /nfs/dbraw/zinc/32/64/77/135326477.db2.gz OHIDOPWTLKJVLH-LLVKDONJSA-N 2 2 241.379 0.818 20 0 BCADLP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263003863 135326878 /nfs/dbraw/zinc/32/68/78/135326878.db2.gz OYRUYBLWUCNFNO-IUCAKERBSA-N 2 2 247.289 0.194 20 0 BCADLP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263003863 135326881 /nfs/dbraw/zinc/32/68/81/135326881.db2.gz OYRUYBLWUCNFNO-IUCAKERBSA-N 2 2 247.289 0.194 20 0 BCADLP [NH3+]CC[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000263033342 135328247 /nfs/dbraw/zinc/32/82/47/135328247.db2.gz SCTDKLYSERYHNI-CYBMUJFWSA-N 2 2 242.363 0.995 20 0 BCADLP Cc1cc(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc[nH+]1 ZINC000334287687 135339961 /nfs/dbraw/zinc/33/99/61/135339961.db2.gz YDICBFHVCKGLIF-AAEUAGOBSA-N 2 2 231.299 0.750 20 0 BCADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ncc[nH]1 ZINC000342999355 135343662 /nfs/dbraw/zinc/34/36/62/135343662.db2.gz ZADXBRVLVRMCDM-NSHDSACASA-N 2 2 237.351 0.135 20 0 BCADLP Cn1c[nH+]cc1CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299894744 135380638 /nfs/dbraw/zinc/38/06/38/135380638.db2.gz ZUGVMMPRARIEPO-CMPLNLGQSA-N 2 2 220.320 0.604 20 0 BCADLP Cc1c(C[NH2+][C@H]2CCC[NH2+][C@H]2C)cnn1C ZINC000335356799 135411403 /nfs/dbraw/zinc/41/14/03/135411403.db2.gz IIWWWWUTWZKBFP-CABZTGNLSA-N 2 2 222.336 0.959 20 0 BCADLP C[C@]1(C[NH2+][C@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000334873128 135829377 /nfs/dbraw/zinc/82/93/77/135829377.db2.gz HENIRLDLVKULQV-RYUDHWBXSA-N 3 2 211.353 0.718 20 0 BCADLP CC(=O)N1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000347727457 136004198 /nfs/dbraw/zinc/00/41/98/136004198.db2.gz FTCDLIVAOGUFOB-UHFFFAOYSA-N 2 2 236.319 0.127 20 0 BCADLP CNC(=O)CC[N@H+](C)CCc1c[nH+]cn1C ZINC000347737039 136004642 /nfs/dbraw/zinc/00/46/42/136004642.db2.gz OQEPKTKABMYVEE-UHFFFAOYSA-N 2 2 224.308 0.031 20 0 BCADLP CNC(=O)CC[N@@H+](C)CCc1c[nH+]cn1C ZINC000347737039 136004643 /nfs/dbraw/zinc/00/46/43/136004643.db2.gz OQEPKTKABMYVEE-UHFFFAOYSA-N 2 2 224.308 0.031 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2C(F)F)C1 ZINC000348149998 136039986 /nfs/dbraw/zinc/03/99/86/136039986.db2.gz KIEHZEYRRPDNDP-LPEHRKFASA-N 2 2 234.290 0.950 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2C(F)F)C1 ZINC000348149998 136039987 /nfs/dbraw/zinc/03/99/87/136039987.db2.gz KIEHZEYRRPDNDP-LPEHRKFASA-N 2 2 234.290 0.950 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1C=C[C@@H](CO)C1 ZINC000348163540 136041745 /nfs/dbraw/zinc/04/17/45/136041745.db2.gz VRHQVFFBEIOEGQ-KKOKHZNYSA-N 2 2 210.321 0.463 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1C=C[C@@H](CO)C1 ZINC000348163540 136041746 /nfs/dbraw/zinc/04/17/46/136041746.db2.gz VRHQVFFBEIOEGQ-KKOKHZNYSA-N 2 2 210.321 0.463 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccnn1C ZINC000335359274 136075468 /nfs/dbraw/zinc/07/54/68/136075468.db2.gz XGLPJDDITVWYLD-ONGXEEELSA-N 2 2 208.309 0.650 20 0 BCADLP Cc1n[nH]cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000335372017 136084052 /nfs/dbraw/zinc/08/40/52/136084052.db2.gz VCYHTNLZBDDXEC-PWSUYJOCSA-N 2 2 220.320 0.759 20 0 BCADLP Cc1n[nH]cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000335372017 136084053 /nfs/dbraw/zinc/08/40/53/136084053.db2.gz VCYHTNLZBDDXEC-PWSUYJOCSA-N 2 2 220.320 0.759 20 0 BCADLP [NH3+]CC[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000335393397 136091661 /nfs/dbraw/zinc/09/16/61/136091661.db2.gz CNLXDKFMAXHMHF-PWSUYJOCSA-N 2 2 237.347 0.420 20 0 BCADLP [NH3+]CC[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000335393397 136091662 /nfs/dbraw/zinc/09/16/62/136091662.db2.gz CNLXDKFMAXHMHF-PWSUYJOCSA-N 2 2 237.347 0.420 20 0 BCADLP C[C@@H](C[NH2+]CC[C@@H]1CCOC1)[NH+](C)C ZINC000308686370 397836886 /nfs/dbraw/zinc/83/68/86/397836886.db2.gz ZQRAQDPZUKQYNY-WDEREUQCSA-N 2 2 200.326 0.953 20 0 BCADLP C[C@H](CC[NH+](C)C)NC(=O)CCn1cc[nH+]c1 ZINC000264979548 397929633 /nfs/dbraw/zinc/92/96/33/397929633.db2.gz ZUNQQSXTMSLHTB-LLVKDONJSA-N 2 2 238.335 0.730 20 0 BCADLP O=C1CC[C@@H](C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)N1 ZINC000649561218 397952246 /nfs/dbraw/zinc/95/22/46/397952246.db2.gz OZRFSTKYKYXGOB-QWRGUYRKSA-N 2 2 248.330 0.868 20 0 BCADLP O=C1CC[C@@H](C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)N1 ZINC000649561218 397952248 /nfs/dbraw/zinc/95/22/48/397952248.db2.gz OZRFSTKYKYXGOB-QWRGUYRKSA-N 2 2 248.330 0.868 20 0 BCADLP COC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C(C)C ZINC000643537906 397918446 /nfs/dbraw/zinc/91/84/46/397918446.db2.gz UKHPIRFODGCAFP-DCAQKATOSA-N 2 2 218.316 0.947 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000373106204 398012396 /nfs/dbraw/zinc/01/23/96/398012396.db2.gz GNGABPRGXIHRGN-MNOVXSKESA-N 2 2 249.314 0.915 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+]([C@H]2CCOC2=O)C1 ZINC000373106204 398012398 /nfs/dbraw/zinc/01/23/98/398012398.db2.gz GNGABPRGXIHRGN-MNOVXSKESA-N 2 2 249.314 0.915 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCO)C1 ZINC000373116032 398013922 /nfs/dbraw/zinc/01/39/22/398013922.db2.gz RBPNFVUTGHEIPO-SNVBAGLBSA-N 2 2 209.293 0.592 20 0 BCADLP Cc1[nH+]cccc1Cn1cc(CCC[NH3+])nn1 ZINC000383877040 398047192 /nfs/dbraw/zinc/04/71/92/398047192.db2.gz CBJVIGJCZWMGDP-UHFFFAOYSA-N 2 2 231.303 0.921 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCC[C@H]2O)n1C ZINC000323701675 398020638 /nfs/dbraw/zinc/02/06/38/398020638.db2.gz RABKTIRUGMFDSS-GHMZBOCLSA-N 2 2 238.335 0.489 20 0 BCADLP OCCC[N@H+](CCO)Cc1cccc2[nH+]ccn21 ZINC000271721269 397970774 /nfs/dbraw/zinc/97/07/74/397970774.db2.gz KEBZKBRTHIKVFT-UHFFFAOYSA-N 2 2 249.314 0.511 20 0 BCADLP OCCC[N@@H+](CCO)Cc1cccc2[nH+]ccn21 ZINC000271721269 397970776 /nfs/dbraw/zinc/97/07/76/397970776.db2.gz KEBZKBRTHIKVFT-UHFFFAOYSA-N 2 2 249.314 0.511 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]Cc2ncc[nH]2)CC[N@@H+]1C ZINC000090720677 398111982 /nfs/dbraw/zinc/11/19/82/398111982.db2.gz VDZZCQGVVPKLSI-NXEZZACHSA-N 2 2 208.309 0.982 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]Cc2ncc[nH]2)CC[N@H+]1C ZINC000090720677 398111987 /nfs/dbraw/zinc/11/19/87/398111987.db2.gz VDZZCQGVVPKLSI-NXEZZACHSA-N 2 2 208.309 0.982 20 0 BCADLP C[C@@H]1C[C@H](NCc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000090720677 398111990 /nfs/dbraw/zinc/11/19/90/398111990.db2.gz VDZZCQGVVPKLSI-NXEZZACHSA-N 2 2 208.309 0.982 20 0 BCADLP C[C@@H]1C[C@H](NCc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000090720677 398111994 /nfs/dbraw/zinc/11/19/94/398111994.db2.gz VDZZCQGVVPKLSI-NXEZZACHSA-N 2 2 208.309 0.982 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000414933706 398114178 /nfs/dbraw/zinc/11/41/78/398114178.db2.gz SGCPGZZJSZMHQU-TUAOUCFPSA-N 2 2 222.336 0.859 20 0 BCADLP C[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C(C)(C)n1cncn1 ZINC000340474720 398130079 /nfs/dbraw/zinc/13/00/79/398130079.db2.gz URJUMWNIJNPYFU-WDEREUQCSA-N 2 2 239.367 0.941 20 0 BCADLP COCCC[N@@H+](C)CC[NH2+]CC1(C)COC1 ZINC000309635313 174216579 /nfs/dbraw/zinc/21/65/79/174216579.db2.gz JDTBAEJTAKLCFD-UHFFFAOYSA-N 2 2 230.352 0.581 20 0 BCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccccc1F ZINC000258826692 322876844 /nfs/dbraw/zinc/87/68/44/322876844.db2.gz CUPCQEJJQOWETK-GFCCVEGCSA-N 2 2 237.322 0.819 20 0 BCADLP C[N@H+](Cc1c[nH+]c2n1CCC2)C1(CO)CC1 ZINC000668798666 487557861 /nfs/dbraw/zinc/55/78/61/487557861.db2.gz RBNYNCKXGGTASD-UHFFFAOYSA-N 2 2 221.304 0.786 20 0 BCADLP C[N@@H+](Cc1c[nH+]c2n1CCC2)C1(CO)CC1 ZINC000668798666 487557869 /nfs/dbraw/zinc/55/78/69/487557869.db2.gz RBNYNCKXGGTASD-UHFFFAOYSA-N 2 2 221.304 0.786 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000297222415 487588428 /nfs/dbraw/zinc/58/84/28/487588428.db2.gz XSGCFPXBLGDUKV-UHFFFAOYSA-N 2 2 236.319 0.551 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000297222415 487588434 /nfs/dbraw/zinc/58/84/34/487588434.db2.gz XSGCFPXBLGDUKV-UHFFFAOYSA-N 2 2 236.319 0.551 20 0 BCADLP COc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)nn1 ZINC000383154726 487589237 /nfs/dbraw/zinc/58/92/37/487589237.db2.gz KKSPPSPFAJFYPY-NXEZZACHSA-N 2 2 234.303 0.136 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2CO)n1C ZINC000667495076 487593064 /nfs/dbraw/zinc/59/30/64/487593064.db2.gz XEAMDHVXTOBDSD-SNVBAGLBSA-N 2 2 209.293 0.685 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2CO)n1C ZINC000667495076 487593071 /nfs/dbraw/zinc/59/30/71/487593071.db2.gz XEAMDHVXTOBDSD-SNVBAGLBSA-N 2 2 209.293 0.685 20 0 BCADLP CC(C)[C@H](C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653093979 487599815 /nfs/dbraw/zinc/59/98/15/487599815.db2.gz TZMXFMSXLLKKKS-GHMZBOCLSA-N 2 2 229.368 0.674 20 0 BCADLP CC1(C)CC[NH2+][C@@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000662410675 487602127 /nfs/dbraw/zinc/60/21/27/487602127.db2.gz CGQYAJUGHWJMSC-SNVBAGLBSA-N 2 2 234.303 0.990 20 0 BCADLP C[C@@H]1C[C@H](C)N(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653094591 487601977 /nfs/dbraw/zinc/60/19/77/487601977.db2.gz JRRXHKPBJZCMHO-OUAUKWLOSA-N 2 2 227.352 0.522 20 0 BCADLP CCN1CC[C@@H]([NH2+]CC2([NH3+])CCC2)C1=O ZINC000662264219 409562078 /nfs/dbraw/zinc/56/20/78/409562078.db2.gz CNXXGBSVGLVOTR-SECBINFHSA-N 2 2 211.309 0.078 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2nc(N(C)C)no2)C1 ZINC000662265869 409564357 /nfs/dbraw/zinc/56/43/57/409564357.db2.gz JHMZRVOKRBJRFR-DTWKUNHWSA-N 2 2 239.323 0.305 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nc(N(C)C)no2)C1 ZINC000662265869 409564369 /nfs/dbraw/zinc/56/43/69/409564369.db2.gz JHMZRVOKRBJRFR-DTWKUNHWSA-N 2 2 239.323 0.305 20 0 BCADLP CO[C@H](C[N@@H+]1CCO[C@H](C[NH3+])C1)C1CCCC1 ZINC000662266534 409567076 /nfs/dbraw/zinc/56/70/76/409567076.db2.gz MXKXCXGOIWMNTK-CHWSQXEVSA-N 2 2 242.363 0.851 20 0 BCADLP CO[C@H](C[N@H+]1CCO[C@H](C[NH3+])C1)C1CCCC1 ZINC000662266534 409567077 /nfs/dbraw/zinc/56/70/77/409567077.db2.gz MXKXCXGOIWMNTK-CHWSQXEVSA-N 2 2 242.363 0.851 20 0 BCADLP CCOC[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662254440 409550960 /nfs/dbraw/zinc/55/09/60/409550960.db2.gz HZCPKOPNOBOMQN-QWHCGFSZSA-N 2 2 242.363 0.723 20 0 BCADLP CCOC[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662254440 409550967 /nfs/dbraw/zinc/55/09/67/409550967.db2.gz HZCPKOPNOBOMQN-QWHCGFSZSA-N 2 2 242.363 0.723 20 0 BCADLP Nc1cc(C[N@@H+]2CC3CC2(C[NH3+])C3)ccn1 ZINC000662304758 409628150 /nfs/dbraw/zinc/62/81/50/409628150.db2.gz BLLRMJAANNGBHH-UHFFFAOYSA-N 2 2 218.304 0.587 20 0 BCADLP Nc1cc(C[N@H+]2CC3CC2(C[NH3+])C3)ccn1 ZINC000662304758 409628157 /nfs/dbraw/zinc/62/81/57/409628157.db2.gz BLLRMJAANNGBHH-UHFFFAOYSA-N 2 2 218.304 0.587 20 0 BCADLP Nc1cc(CN2CC3CC2(C[NH3+])C3)cc[nH+]1 ZINC000662304758 409628162 /nfs/dbraw/zinc/62/81/62/409628162.db2.gz BLLRMJAANNGBHH-UHFFFAOYSA-N 2 2 218.304 0.587 20 0 BCADLP CCN(CC1CC1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653090537 409631222 /nfs/dbraw/zinc/63/12/22/409631222.db2.gz RYBIDIRQMZOBHL-NSHDSACASA-N 2 2 227.352 0.524 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H]1CC1(C)C ZINC000653090648 409633240 /nfs/dbraw/zinc/63/32/40/409633240.db2.gz WNHHMILLOJIUOT-ZJUUUORDSA-N 2 2 227.352 0.428 20 0 BCADLP CC[C@H]1CCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653076807 409591429 /nfs/dbraw/zinc/59/14/29/409591429.db2.gz GCTWTVQMEJMVJB-QWRGUYRKSA-N 2 2 227.352 0.666 20 0 BCADLP C[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1[NH3+] ZINC000662277966 409593123 /nfs/dbraw/zinc/59/31/23/409593123.db2.gz UDPDQXKWMFDWFT-IWSPIJDZSA-N 2 2 220.263 0.690 20 0 BCADLP C[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1[NH3+] ZINC000662277966 409593131 /nfs/dbraw/zinc/59/31/31/409593131.db2.gz UDPDQXKWMFDWFT-IWSPIJDZSA-N 2 2 220.263 0.690 20 0 BCADLP CCOCCN(CC)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653080386 409596382 /nfs/dbraw/zinc/59/63/82/409596382.db2.gz DYUFNHNHWSEWNO-LLVKDONJSA-N 2 2 245.367 0.150 20 0 BCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000653078708 409596768 /nfs/dbraw/zinc/59/67/68/409596768.db2.gz INHRDRNZWOZXGH-ONGXEEELSA-N 2 2 227.352 0.428 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000662282363 409608364 /nfs/dbraw/zinc/60/83/64/409608364.db2.gz GYIGKQBBXYSTCK-WOPDTQHZSA-N 2 2 226.320 0.086 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000662282363 409608372 /nfs/dbraw/zinc/60/83/72/409608372.db2.gz GYIGKQBBXYSTCK-WOPDTQHZSA-N 2 2 226.320 0.086 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC(C)(C)CC1 ZINC000653085323 409611193 /nfs/dbraw/zinc/61/11/93/409611193.db2.gz IXKIFNZDWFQYKE-NSHDSACASA-N 2 2 241.379 0.914 20 0 BCADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CCS1 ZINC000653086214 409614994 /nfs/dbraw/zinc/61/49/94/409614994.db2.gz KGICPWBROQQSDV-ZJUUUORDSA-N 2 2 245.392 0.229 20 0 BCADLP C[C@@H]1CCC[C@@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653086867 409615115 /nfs/dbraw/zinc/61/51/15/409615115.db2.gz DLJHOELWGLGVGR-MXWKQRLJSA-N 2 2 227.352 0.570 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000655246513 409708520 /nfs/dbraw/zinc/70/85/20/409708520.db2.gz JWLJJFGXIULMOH-AOOOYVTPSA-N 2 2 236.319 0.788 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1(C)CCC1 ZINC000653095581 409709776 /nfs/dbraw/zinc/70/97/76/409709776.db2.gz NPKFZRLWEKJSCD-JTQLQIEISA-N 2 2 227.352 0.572 20 0 BCADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CCC1 ZINC000653091819 409672301 /nfs/dbraw/zinc/67/23/01/409672301.db2.gz JFRODAAFIGMALM-JTQLQIEISA-N 2 2 213.325 0.276 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCCC1(C)C ZINC000653091952 409676406 /nfs/dbraw/zinc/67/64/06/409676406.db2.gz NWOGHACFHARUFT-WDEREUQCSA-N 2 2 241.379 0.960 20 0 BCADLP CO[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000653099167 409738165 /nfs/dbraw/zinc/73/81/65/409738165.db2.gz HKKMRELQKFHBDP-MNOVXSKESA-N 2 2 245.367 0.053 20 0 BCADLP CC[C@@H]([NH2+]C)C(=O)Nc1cc[nH+]cc1C ZINC000662529313 409746725 /nfs/dbraw/zinc/74/67/25/409746725.db2.gz VJCMUPBWRLNSNE-SECBINFHSA-N 2 2 207.277 0.748 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000653096599 409718284 /nfs/dbraw/zinc/71/82/84/409718284.db2.gz PVTQRCVXYRLCKH-OUAUKWLOSA-N 2 2 239.363 0.380 20 0 BCADLP Cc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)nc1 ZINC000653105258 409797377 /nfs/dbraw/zinc/79/73/77/409797377.db2.gz NZVPFHUNSVOUGX-JTQLQIEISA-N 2 2 236.319 0.608 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1=CCCC1 ZINC000662706730 409859135 /nfs/dbraw/zinc/85/91/35/409859135.db2.gz BNWPDUGZCLYXGI-NSHDSACASA-N 2 2 225.336 0.492 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC(C)(F)F ZINC000662899739 409974420 /nfs/dbraw/zinc/97/44/20/409974420.db2.gz ZSLMIOFWAVNJOG-ZETCQYMHSA-N 2 2 223.267 0.037 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)C1([NH3+])CCC1 ZINC000662900493 409974455 /nfs/dbraw/zinc/97/44/55/409974455.db2.gz PWLBBZWIBRVAPX-SECBINFHSA-N 2 2 236.319 0.962 20 0 BCADLP C[C@@H](NC(=O)C(C)(C)[NH3+])c1[nH+]ccn1C ZINC000662934068 409980251 /nfs/dbraw/zinc/98/02/51/409980251.db2.gz LTOVFKOQRUBMHZ-SSDOTTSWSA-N 2 2 210.281 0.335 20 0 BCADLP C[C@H](NC(=O)[C@H]1[NH2+]CC1(C)C)c1[nH+]ccn1C ZINC000662933645 409980839 /nfs/dbraw/zinc/98/08/39/409980839.db2.gz JBHZXYNONYBSPR-DTWKUNHWSA-N 2 2 236.319 0.595 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000389233168 409937673 /nfs/dbraw/zinc/93/76/73/409937673.db2.gz IZEJIYTVYTWLAA-RYUDHWBXSA-N 2 2 239.363 0.729 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000389233168 409937678 /nfs/dbraw/zinc/93/76/78/409937678.db2.gz IZEJIYTVYTWLAA-RYUDHWBXSA-N 2 2 239.363 0.729 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407368893 410003519 /nfs/dbraw/zinc/00/35/19/410003519.db2.gz LBSZWJHZTTWLQX-MNOVXSKESA-N 2 2 248.330 0.865 20 0 BCADLP C[C@H]1CCCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653158134 410004431 /nfs/dbraw/zinc/00/44/31/410004431.db2.gz VZLQWVKMJWFHIE-NWDGAFQWSA-N 2 2 241.379 0.914 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CC)C1 ZINC000328142040 487612439 /nfs/dbraw/zinc/61/24/39/487612439.db2.gz BEPYYFPVBVGXNB-WDEREUQCSA-N 2 2 200.326 0.831 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC)C1 ZINC000328142040 487612446 /nfs/dbraw/zinc/61/24/46/487612446.db2.gz BEPYYFPVBVGXNB-WDEREUQCSA-N 2 2 200.326 0.831 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000653165739 410131261 /nfs/dbraw/zinc/13/12/61/410131261.db2.gz ABKXPGYJYRYICW-QJPTWQEYSA-N 2 2 239.363 0.570 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000653168007 410135322 /nfs/dbraw/zinc/13/53/22/410135322.db2.gz LRJYFMYVULKLSB-YFKTTZPYSA-N 2 2 239.363 0.570 20 0 BCADLP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000655410564 410213760 /nfs/dbraw/zinc/21/37/60/410213760.db2.gz DLAAHLUBUXFOAP-GHMZBOCLSA-N 2 2 248.330 0.395 20 0 BCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655442811 410266816 /nfs/dbraw/zinc/26/68/16/410266816.db2.gz ASOIJHKFPIEHHM-WCQYABFASA-N 2 2 248.330 0.389 20 0 BCADLP CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CC(C)(C)[NH3+])C1 ZINC000663499151 410276410 /nfs/dbraw/zinc/27/64/10/410276410.db2.gz BDEUWVOEKNIKJT-SNVBAGLBSA-N 2 2 242.367 0.411 20 0 BCADLP CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000663499151 410276437 /nfs/dbraw/zinc/27/64/37/410276437.db2.gz BDEUWVOEKNIKJT-SNVBAGLBSA-N 2 2 242.367 0.411 20 0 BCADLP O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655416243 410220798 /nfs/dbraw/zinc/22/07/98/410220798.db2.gz MSEFNYWFOBPSCB-GHMZBOCLSA-N 2 2 248.330 0.314 20 0 BCADLP O=C(NCC[NH2+]C1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000655416318 410221218 /nfs/dbraw/zinc/22/12/18/410221218.db2.gz PEWMXVPCYZQYFW-JTQLQIEISA-N 2 2 248.330 0.314 20 0 BCADLP [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655417240 410224218 /nfs/dbraw/zinc/22/42/18/410224218.db2.gz HJRJBNPSTOPIHZ-GHMZBOCLSA-N 2 2 248.330 0.395 20 0 BCADLP CCn1cc[nH+]c1CN1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000132875881 410432116 /nfs/dbraw/zinc/43/21/16/410432116.db2.gz AJGLFDLLNGXGNR-GHMZBOCLSA-N 2 2 238.335 0.451 20 0 BCADLP CC[C@H]([NH3+])CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655465350 410664219 /nfs/dbraw/zinc/66/42/19/410664219.db2.gz FKVTWRTZDNKYFH-ZJUUUORDSA-N 2 2 236.319 0.299 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000309253486 410668012 /nfs/dbraw/zinc/66/80/12/410668012.db2.gz FUJGMQVQWWPXOM-SECBINFHSA-N 2 2 209.297 0.262 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000309253486 410668016 /nfs/dbraw/zinc/66/80/16/410668016.db2.gz FUJGMQVQWWPXOM-SECBINFHSA-N 2 2 209.297 0.262 20 0 BCADLP Cc1cncc(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)n1 ZINC000665274001 410741995 /nfs/dbraw/zinc/74/19/95/410741995.db2.gz HGWXERUNWUKABW-ZWNOBZJWSA-N 2 2 234.347 0.915 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000309297932 410745438 /nfs/dbraw/zinc/74/54/38/410745438.db2.gz SDFJWOACEUXQIS-LBPRGKRZSA-N 3 2 211.353 0.799 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000309297932 410745443 /nfs/dbraw/zinc/74/54/43/410745443.db2.gz SDFJWOACEUXQIS-LBPRGKRZSA-N 3 2 211.353 0.799 20 0 BCADLP CC[NH2+]Cc1cn(Cc2c[nH+]ccc2OC)nn1 ZINC000394088351 410776314 /nfs/dbraw/zinc/77/63/14/410776314.db2.gz YXATUBRYTSUGAB-UHFFFAOYSA-N 2 2 247.302 0.840 20 0 BCADLP Cn1nncc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000394999799 410833453 /nfs/dbraw/zinc/83/34/53/410833453.db2.gz IXTOLDVJSDMUJP-JQWIXIFHSA-N 2 2 235.335 0.376 20 0 BCADLP Cn1nncc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000394999799 410833458 /nfs/dbraw/zinc/83/34/58/410833458.db2.gz IXTOLDVJSDMUJP-JQWIXIFHSA-N 2 2 235.335 0.376 20 0 BCADLP CC(C)NC(=O)CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336655682 167044270 /nfs/dbraw/zinc/04/42/70/167044270.db2.gz HQCBFLBCMNHTHZ-MNOVXSKESA-N 2 2 227.352 0.441 20 0 BCADLP CC(C)NC(=O)CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336655682 167044273 /nfs/dbraw/zinc/04/42/73/167044273.db2.gz HQCBFLBCMNHTHZ-MNOVXSKESA-N 2 2 227.352 0.441 20 0 BCADLP CC(C)[NH2+]CC[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000367462096 167106180 /nfs/dbraw/zinc/10/61/80/167106180.db2.gz CUDOTFZGOCTKHS-DGCLKSJQSA-N 2 2 239.363 0.631 20 0 BCADLP Cc1noc([C@@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000309386656 410931165 /nfs/dbraw/zinc/93/11/65/410931165.db2.gz FEMQAMGWSGSZNU-VXNVDRBHSA-N 2 2 210.281 0.720 20 0 BCADLP Cc1noc([C@@H](C)[N@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000309386656 410931168 /nfs/dbraw/zinc/93/11/68/410931168.db2.gz FEMQAMGWSGSZNU-VXNVDRBHSA-N 2 2 210.281 0.720 20 0 BCADLP C[NH2+][C@@H](C)CNc1nc[nH+]c2c1OCCN2 ZINC000634810357 410964515 /nfs/dbraw/zinc/96/45/15/410964515.db2.gz USXPIFPMKAKXGC-ZETCQYMHSA-N 2 2 223.280 0.301 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](CO)CCF)n1C ZINC000652018207 410989415 /nfs/dbraw/zinc/98/94/15/410989415.db2.gz NJPPBYZZFYNZPJ-SECBINFHSA-N 2 2 244.314 0.296 20 0 BCADLP CC(C)COCC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000300052487 411076700 /nfs/dbraw/zinc/07/67/00/411076700.db2.gz GHWIUFJBXRWIFT-NWDGAFQWSA-N 2 2 230.352 0.707 20 0 BCADLP CC(C)COCC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000300052487 411076705 /nfs/dbraw/zinc/07/67/05/411076705.db2.gz GHWIUFJBXRWIFT-NWDGAFQWSA-N 2 2 230.352 0.707 20 0 BCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493319819 411130600 /nfs/dbraw/zinc/13/06/00/411130600.db2.gz KUHPRGZHJLLECM-ZYOFXKKJSA-N 2 2 248.330 0.976 20 0 BCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493319819 411130601 /nfs/dbraw/zinc/13/06/01/411130601.db2.gz KUHPRGZHJLLECM-ZYOFXKKJSA-N 2 2 248.330 0.976 20 0 BCADLP c1nc(N[C@@H]2CC[NH2+]C2)cc(NC2CC2)[nH+]1 ZINC000211790775 411139881 /nfs/dbraw/zinc/13/98/81/411139881.db2.gz TXEBHEORIRMUON-SECBINFHSA-N 2 2 219.292 0.825 20 0 BCADLP O=C1C[C@@H](C[NH+]2CCC(n3cc[nH+]c3)CC2)CN1 ZINC000659997872 411162345 /nfs/dbraw/zinc/16/23/45/411162345.db2.gz DPDCUORXZGZVAJ-LLVKDONJSA-N 2 2 248.330 0.656 20 0 BCADLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCc2cccnc2)CCO1 ZINC000123845052 411175755 /nfs/dbraw/zinc/17/57/55/411175755.db2.gz ZPPSQLXPJRPSFJ-DGCLKSJQSA-N 2 2 235.331 0.672 20 0 BCADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCc2cccnc2)CCO1 ZINC000123845052 411175757 /nfs/dbraw/zinc/17/57/57/411175757.db2.gz ZPPSQLXPJRPSFJ-DGCLKSJQSA-N 2 2 235.331 0.672 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000111826223 411181445 /nfs/dbraw/zinc/18/14/45/411181445.db2.gz XYTOOWUCNIRZHD-GHMZBOCLSA-N 2 2 236.319 0.530 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000656193017 411198268 /nfs/dbraw/zinc/19/82/68/411198268.db2.gz HVIDDIDJEZTTJR-ZDCRXTMVSA-N 3 2 215.316 0.546 20 0 BCADLP Cn1cc[nH+]c1CN[C@H](C[NH3+])C(F)(F)F ZINC000656196467 411201084 /nfs/dbraw/zinc/20/10/84/411201084.db2.gz UVYGHHOXMHBXFB-ZCFIWIBFSA-N 2 2 222.214 0.399 20 0 BCADLP C[N@H+](Cc1ccnc(N)c1)C1(C[NH3+])CCC1 ZINC000420328889 411201171 /nfs/dbraw/zinc/20/11/71/411201171.db2.gz NHTSUUSKLGJJLB-UHFFFAOYSA-N 2 2 220.320 0.977 20 0 BCADLP C[N@@H+](Cc1ccnc(N)c1)C1(C[NH3+])CCC1 ZINC000420328889 411201172 /nfs/dbraw/zinc/20/11/72/411201172.db2.gz NHTSUUSKLGJJLB-UHFFFAOYSA-N 2 2 220.320 0.977 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424190617 411245350 /nfs/dbraw/zinc/24/53/50/411245350.db2.gz PVQWLSYQRUPWNQ-WOPDTQHZSA-N 2 2 239.363 0.395 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424190617 411245352 /nfs/dbraw/zinc/24/53/52/411245352.db2.gz PVQWLSYQRUPWNQ-WOPDTQHZSA-N 2 2 239.363 0.395 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000652335982 411204880 /nfs/dbraw/zinc/20/48/80/411204880.db2.gz WYZOQZILYUAIFC-RYUDHWBXSA-N 3 2 231.384 0.262 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000652335982 411204883 /nfs/dbraw/zinc/20/48/83/411204883.db2.gz WYZOQZILYUAIFC-RYUDHWBXSA-N 3 2 231.384 0.262 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@@](C)(O)C[NH2+]C)CC[C@@H]1[NH3+] ZINC000652340733 411205674 /nfs/dbraw/zinc/20/56/74/411205674.db2.gz HPQVTTLCBANUNU-WOPDTQHZSA-N 3 2 229.368 0.016 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@@](C)(O)C[NH2+]C)CC[C@@H]1[NH3+] ZINC000652340733 411205677 /nfs/dbraw/zinc/20/56/77/411205677.db2.gz HPQVTTLCBANUNU-WOPDTQHZSA-N 3 2 229.368 0.016 20 0 BCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000652339616 411206119 /nfs/dbraw/zinc/20/61/19/411206119.db2.gz DANLVFXAJRWKLX-MNOVXSKESA-N 2 2 234.347 0.998 20 0 BCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc2n(n1)CCC2 ZINC000652339616 411206121 /nfs/dbraw/zinc/20/61/21/411206121.db2.gz DANLVFXAJRWKLX-MNOVXSKESA-N 2 2 234.347 0.998 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[NH2+][C@@H](C)c1ccccn1 ZINC000652341397 411207223 /nfs/dbraw/zinc/20/72/23/411207223.db2.gz MSDKABMGADHGBL-CMPLNLGQSA-N 2 2 223.320 0.703 20 0 BCADLP C[C@H]1CCC[N@H+](Cc2nnnn2C)[C@H]1CC[NH3+] ZINC000652356125 411214530 /nfs/dbraw/zinc/21/45/30/411214530.db2.gz SQDXZPKUOZGQQW-UWVGGRQHSA-N 2 2 238.339 0.159 20 0 BCADLP C[C@H]1CCC[N@@H+](Cc2nnnn2C)[C@H]1CC[NH3+] ZINC000652356125 411214532 /nfs/dbraw/zinc/21/45/32/411214532.db2.gz SQDXZPKUOZGQQW-UWVGGRQHSA-N 2 2 238.339 0.159 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658054298 411223401 /nfs/dbraw/zinc/22/34/01/411223401.db2.gz CZPCMCUSIKDCQW-ZJUUUORDSA-N 2 2 227.352 0.713 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658054298 411223403 /nfs/dbraw/zinc/22/34/03/411223403.db2.gz CZPCMCUSIKDCQW-ZJUUUORDSA-N 2 2 227.352 0.713 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H](CO)C1CCC1 ZINC000658085516 411235721 /nfs/dbraw/zinc/23/57/21/411235721.db2.gz BDCXKSLYUGGCMZ-YUSALJHKSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H](CO)C1CCC1 ZINC000658085516 411235725 /nfs/dbraw/zinc/23/57/25/411235725.db2.gz BDCXKSLYUGGCMZ-YUSALJHKSA-N 2 2 212.337 0.687 20 0 BCADLP [NH3+]CCCn1cc(C[NH+]2CCSCC2)nn1 ZINC000656435614 411247775 /nfs/dbraw/zinc/24/77/75/411247775.db2.gz CYXFYBMENXPUHD-UHFFFAOYSA-N 2 2 241.364 0.176 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)C1 ZINC000310567394 411240417 /nfs/dbraw/zinc/24/04/17/411240417.db2.gz YCWPPEPBPNUIDK-OLZOCXBDSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)C1 ZINC000310567394 411240419 /nfs/dbraw/zinc/24/04/19/411240419.db2.gz YCWPPEPBPNUIDK-OLZOCXBDSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000310567394 411240421 /nfs/dbraw/zinc/24/04/21/411240421.db2.gz YCWPPEPBPNUIDK-OLZOCXBDSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C)C1 ZINC000310567394 411240422 /nfs/dbraw/zinc/24/04/22/411240422.db2.gz YCWPPEPBPNUIDK-OLZOCXBDSA-N 2 2 244.379 0.657 20 0 BCADLP C[C@@H]([NH3+])C[NH+]1CCC(OCCCO)CC1 ZINC000309408425 411241652 /nfs/dbraw/zinc/24/16/52/411241652.db2.gz IEEZRPDDJSHJDH-SNVBAGLBSA-N 2 2 216.325 0.197 20 0 BCADLP COC(=O)c1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)[nH]1 ZINC000596111584 411166742 /nfs/dbraw/zinc/16/67/42/411166742.db2.gz YXGNYPQWZQEVPU-UHFFFAOYSA-N 2 2 249.314 0.643 20 0 BCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]C1CC1 ZINC000054265768 411264154 /nfs/dbraw/zinc/26/41/54/411264154.db2.gz GTJHPASASSAUFQ-UHFFFAOYSA-N 2 2 222.292 0.141 20 0 BCADLP CC[NH2+]Cc1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656458678 411267451 /nfs/dbraw/zinc/26/74/51/411267451.db2.gz DJROLJDBAGNQJO-UHFFFAOYSA-N 2 2 233.275 0.264 20 0 BCADLP Nc1ncc2c(n1)C[N@@H+](CCn1cc[nH+]c1)CC2 ZINC000623293498 411273077 /nfs/dbraw/zinc/27/30/77/411273077.db2.gz YOFZXHIOZSUNLP-UHFFFAOYSA-N 2 2 244.302 0.314 20 0 BCADLP Nc1ncc2c(n1)C[N@H+](CCn1cc[nH+]c1)CC2 ZINC000623293498 411273079 /nfs/dbraw/zinc/27/30/79/411273079.db2.gz YOFZXHIOZSUNLP-UHFFFAOYSA-N 2 2 244.302 0.314 20 0 BCADLP C[N@@H+]1CCCC12CC[NH+](CCc1c[nH]nn1)CC2 ZINC000660166880 411274366 /nfs/dbraw/zinc/27/43/66/411274366.db2.gz HJFQWBSQBINWGQ-UHFFFAOYSA-N 2 2 249.362 0.907 20 0 BCADLP C[N@H+]1CCCC12CC[NH+](CCc1c[nH]nn1)CC2 ZINC000660166880 411274369 /nfs/dbraw/zinc/27/43/69/411274369.db2.gz HJFQWBSQBINWGQ-UHFFFAOYSA-N 2 2 249.362 0.907 20 0 BCADLP C[N@@H+]1CCCC12CC[NH+](CCc1cn[nH]n1)CC2 ZINC000660166880 411274372 /nfs/dbraw/zinc/27/43/72/411274372.db2.gz HJFQWBSQBINWGQ-UHFFFAOYSA-N 2 2 249.362 0.907 20 0 BCADLP C[N@H+]1CCCC12CC[NH+](CCc1cn[nH]n1)CC2 ZINC000660166880 411274373 /nfs/dbraw/zinc/27/43/73/411274373.db2.gz HJFQWBSQBINWGQ-UHFFFAOYSA-N 2 2 249.362 0.907 20 0 BCADLP Cc1nc(N2CC[C@@H](C[NH+](C)C)C2)nc(N)[nH+]1 ZINC000631203396 411282955 /nfs/dbraw/zinc/28/29/55/411282955.db2.gz OVTJLTDPJOWVPI-VIFPVBQESA-N 2 2 236.323 0.150 20 0 BCADLP Cc1nc(N)nc(N2CC[C@@H](C[NH+](C)C)C2)[nH+]1 ZINC000631203396 411282957 /nfs/dbraw/zinc/28/29/57/411282957.db2.gz OVTJLTDPJOWVPI-VIFPVBQESA-N 2 2 236.323 0.150 20 0 BCADLP CC(C)([NH3+])CCC(=O)NCc1[nH]cc[nH+]1 ZINC000070646739 411283155 /nfs/dbraw/zinc/28/31/55/411283155.db2.gz QZXJFOHLHZYBKB-UHFFFAOYSA-N 2 2 210.281 0.543 20 0 BCADLP CC(C)[NH2+]CCC(=O)NCc1[nH]cc[nH+]1 ZINC000070646638 411283245 /nfs/dbraw/zinc/28/32/45/411283245.db2.gz YWNLJXPIDHKOIW-UHFFFAOYSA-N 2 2 210.281 0.414 20 0 BCADLP CC(C)C[C@@H](CO)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000658179045 411283508 /nfs/dbraw/zinc/28/35/08/411283508.db2.gz SXTNGWLDVQRKCE-GRYCIOLGSA-N 2 2 214.353 0.933 20 0 BCADLP CC(C)C[C@@H](CO)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000658179045 411283509 /nfs/dbraw/zinc/28/35/09/411283509.db2.gz SXTNGWLDVQRKCE-GRYCIOLGSA-N 2 2 214.353 0.933 20 0 BCADLP CC[C@@H](O)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000658190270 411286180 /nfs/dbraw/zinc/28/61/80/411286180.db2.gz LPYPRLRBRDIPQP-MVWJERBFSA-N 2 2 212.337 0.830 20 0 BCADLP CC[C@@H](O)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000658190270 411286182 /nfs/dbraw/zinc/28/61/82/411286182.db2.gz LPYPRLRBRDIPQP-MVWJERBFSA-N 2 2 212.337 0.830 20 0 BCADLP CC[C@@H](O)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000658190271 411286204 /nfs/dbraw/zinc/28/62/04/411286204.db2.gz LPYPRLRBRDIPQP-WCQGTBRESA-N 2 2 212.337 0.830 20 0 BCADLP CC[C@@H](O)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000658190271 411286206 /nfs/dbraw/zinc/28/62/06/411286206.db2.gz LPYPRLRBRDIPQP-WCQGTBRESA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H]1C[NH2+]C[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000401691748 411286357 /nfs/dbraw/zinc/28/63/57/411286357.db2.gz HEDYZDHJWIIXIJ-GHMZBOCLSA-N 3 2 208.309 0.471 20 0 BCADLP C[C@H]1C[NH2+]C[C@H]([NH2+]CCn2ccnc2)C1 ZINC000401691748 411286359 /nfs/dbraw/zinc/28/63/59/411286359.db2.gz HEDYZDHJWIIXIJ-GHMZBOCLSA-N 2 2 208.309 0.471 20 0 BCADLP C[C@@H]1C[N@H+](CCNC2=[NH+]CCCN2)[C@H](C)CO1 ZINC000656508535 411288502 /nfs/dbraw/zinc/28/85/02/411288502.db2.gz KWSHWAWSWFOHEH-GHMZBOCLSA-N 2 2 240.351 0.035 20 0 BCADLP C[C@@H]1C[N@@H+](CCNC2=[NH+]CCCN2)[C@H](C)CO1 ZINC000656508535 411288505 /nfs/dbraw/zinc/28/85/05/411288505.db2.gz KWSHWAWSWFOHEH-GHMZBOCLSA-N 2 2 240.351 0.035 20 0 BCADLP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000649558996 411290335 /nfs/dbraw/zinc/29/03/35/411290335.db2.gz KVJXRUCEPTUXOU-LBPRGKRZSA-N 2 2 239.363 0.727 20 0 BCADLP COC[C@H](CO)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000353072666 411292680 /nfs/dbraw/zinc/29/26/80/411292680.db2.gz NAKXBXAGPBIAJX-NSHDSACASA-N 2 2 249.314 0.740 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150826083 411302153 /nfs/dbraw/zinc/30/21/53/411302153.db2.gz IKIINSAKBSXBOB-WDEREUQCSA-N 2 2 225.336 0.278 20 0 BCADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150826083 411302156 /nfs/dbraw/zinc/30/21/56/411302156.db2.gz IKIINSAKBSXBOB-WDEREUQCSA-N 2 2 225.336 0.278 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cn2cncn2)C1 ZINC000658285725 411322528 /nfs/dbraw/zinc/32/25/28/411322528.db2.gz NFCBLBSEROAZKJ-NEPJUHHUSA-N 2 2 237.351 0.741 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)Cn2cncn2)C1 ZINC000658285725 411322531 /nfs/dbraw/zinc/32/25/31/411322531.db2.gz NFCBLBSEROAZKJ-NEPJUHHUSA-N 2 2 237.351 0.741 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)Cn2cncn2)C1 ZINC000658285730 411323183 /nfs/dbraw/zinc/32/31/83/411323183.db2.gz NFCBLBSEROAZKJ-VXGBXAGGSA-N 2 2 237.351 0.741 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)Cn2cncn2)C1 ZINC000658285730 411323184 /nfs/dbraw/zinc/32/31/84/411323184.db2.gz NFCBLBSEROAZKJ-VXGBXAGGSA-N 2 2 237.351 0.741 20 0 BCADLP C[N@H+](CCC[NH3+])Cc1cc(C(N)=O)cs1 ZINC000309822913 411259546 /nfs/dbraw/zinc/25/95/46/411259546.db2.gz WTGYUFFCHWGHKL-UHFFFAOYSA-N 2 2 227.333 0.628 20 0 BCADLP C[N@@H+](CCC[NH3+])Cc1cc(C(N)=O)cs1 ZINC000309822913 411259551 /nfs/dbraw/zinc/25/95/51/411259551.db2.gz WTGYUFFCHWGHKL-UHFFFAOYSA-N 2 2 227.333 0.628 20 0 BCADLP c1c(C[NH2+]C2CC2)nnn1-c1cc[nH+]cc1 ZINC000656441207 411259737 /nfs/dbraw/zinc/25/97/37/411259737.db2.gz VQELVEVHHTVQPF-UHFFFAOYSA-N 2 2 215.260 0.914 20 0 BCADLP C[C@H](C[NH3+])[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000656787059 411366598 /nfs/dbraw/zinc/36/65/98/411366598.db2.gz SKAIMWHPFOPFCY-SNVBAGLBSA-N 3 2 219.332 0.769 20 0 BCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000656789646 411369341 /nfs/dbraw/zinc/36/93/41/411369341.db2.gz UJUBZOJHEBEYSL-SNVBAGLBSA-N 2 2 248.392 0.671 20 0 BCADLP C[N@H+](C[C@@H]1COCCO1)CC(C)(C)[NH3+] ZINC000656791214 411371258 /nfs/dbraw/zinc/37/12/58/411371258.db2.gz WVBJLNAZDKXEBI-SECBINFHSA-N 2 2 202.298 0.071 20 0 BCADLP C[N@@H+](C[C@@H]1COCCO1)CC(C)(C)[NH3+] ZINC000656791214 411371259 /nfs/dbraw/zinc/37/12/59/411371259.db2.gz WVBJLNAZDKXEBI-SECBINFHSA-N 2 2 202.298 0.071 20 0 BCADLP CC1(CO)CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000186936344 168051789 /nfs/dbraw/zinc/05/17/89/168051789.db2.gz GAOYJIZRCLRQSF-UHFFFAOYSA-N 2 2 223.320 0.978 20 0 BCADLP c1[nH]c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c[nH+]1 ZINC000662029541 411348927 /nfs/dbraw/zinc/34/89/27/411348927.db2.gz AVVDNTOWHXXORD-UWVGGRQHSA-N 2 2 207.277 0.878 20 0 BCADLP c1[nH]c(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c[nH+]1 ZINC000662029541 411348934 /nfs/dbraw/zinc/34/89/34/411348934.db2.gz AVVDNTOWHXXORD-UWVGGRQHSA-N 2 2 207.277 0.878 20 0 BCADLP C[C@H](C[NH2+][C@@H](C)CC(N)=O)[NH+]1CCC(C)CC1 ZINC000341890002 168186642 /nfs/dbraw/zinc/18/66/42/168186642.db2.gz FRIPZFNGCMDEFG-NWDGAFQWSA-N 2 2 241.379 0.960 20 0 BCADLP CCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369264401 168237679 /nfs/dbraw/zinc/23/76/79/168237679.db2.gz AZIBIFYXXZTYPY-LLVKDONJSA-N 2 2 239.363 0.681 20 0 BCADLP CCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369264401 168237680 /nfs/dbraw/zinc/23/76/80/168237680.db2.gz AZIBIFYXXZTYPY-LLVKDONJSA-N 2 2 239.363 0.681 20 0 BCADLP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000071147007 168290513 /nfs/dbraw/zinc/29/05/13/168290513.db2.gz JQNCLRBMJGJLFM-NSHDSACASA-N 2 2 241.379 0.833 20 0 BCADLP CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000071147007 168290516 /nfs/dbraw/zinc/29/05/16/168290516.db2.gz JQNCLRBMJGJLFM-NSHDSACASA-N 2 2 241.379 0.833 20 0 BCADLP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094342007 168290697 /nfs/dbraw/zinc/29/06/97/168290697.db2.gz JNSQDKVYWPPWCP-GHMZBOCLSA-N 2 2 241.379 0.960 20 0 BCADLP CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094342007 168290699 /nfs/dbraw/zinc/29/06/99/168290699.db2.gz JNSQDKVYWPPWCP-GHMZBOCLSA-N 2 2 241.379 0.960 20 0 BCADLP O=C(C[NH2+]Cc1c[nH+]c2n1CCC2)NC1CC1 ZINC000657303944 411456387 /nfs/dbraw/zinc/45/63/87/411456387.db2.gz CLOSRUYRSOTAAQ-UHFFFAOYSA-N 2 2 234.303 0.198 20 0 BCADLP CCOCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657314457 411461715 /nfs/dbraw/zinc/46/17/15/411461715.db2.gz WMDGRUDXANODJQ-UHFFFAOYSA-N 2 2 209.293 0.955 20 0 BCADLP C[C@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653056609 411408261 /nfs/dbraw/zinc/40/82/61/411408261.db2.gz PUPLRFHTSUFAMV-WDEREUQCSA-N 2 2 227.352 0.524 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC1CCCC1 ZINC000653057303 411408283 /nfs/dbraw/zinc/40/82/83/411408283.db2.gz YDZLMFCSWBZECP-JTQLQIEISA-N 2 2 213.325 0.324 20 0 BCADLP Cc1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653057744 411409496 /nfs/dbraw/zinc/40/94/96/411409496.db2.gz OTHIMQAUSFANQR-ZDUSSCGKSA-N 2 2 249.358 0.890 20 0 BCADLP CCC(CC)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653065059 411410048 /nfs/dbraw/zinc/41/00/48/411410048.db2.gz RKSUTFVDNYQFDU-LLVKDONJSA-N 2 2 229.368 0.818 20 0 BCADLP CC(C)CCN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653067587 411411683 /nfs/dbraw/zinc/41/16/83/411411683.db2.gz FMLKGZLEXOMTPG-NSHDSACASA-N 2 2 229.368 0.770 20 0 BCADLP C[C@@H]1C[C@@H]1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653070334 411412301 /nfs/dbraw/zinc/41/23/01/411412301.db2.gz RYAXFOPPVBPJJY-BBBLOLIVSA-N 2 2 213.325 0.038 20 0 BCADLP C[C@@H]1C[C@@H]1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653070336 411412494 /nfs/dbraw/zinc/41/24/94/411412494.db2.gz RYAXFOPPVBPJJY-OPRDCNLKSA-N 2 2 213.325 0.038 20 0 BCADLP CCC[C@@H](C)N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653072854 411413771 /nfs/dbraw/zinc/41/37/71/411413771.db2.gz HXBNLAOQGVTZEC-GHMZBOCLSA-N 2 2 229.368 0.912 20 0 BCADLP CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647885737 411415274 /nfs/dbraw/zinc/41/52/74/411415274.db2.gz KXUDMUKUCOTVGM-GHMZBOCLSA-N 2 2 248.392 0.351 20 0 BCADLP CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647885737 411415277 /nfs/dbraw/zinc/41/52/77/411415277.db2.gz KXUDMUKUCOTVGM-GHMZBOCLSA-N 2 2 248.392 0.351 20 0 BCADLP C[C@@H](NC(=O)NCCC[NH3+])c1[nH+]ccn1C ZINC000659509263 411424099 /nfs/dbraw/zinc/42/40/99/411424099.db2.gz ANJSZRXLLIMKTI-MRVPVSSYSA-N 2 2 225.296 0.129 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)C1(COC)CC1 ZINC000653593963 411428831 /nfs/dbraw/zinc/42/88/31/411428831.db2.gz YQIMTEDHHUAMBJ-LLVKDONJSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C1(COC)CC1 ZINC000653593963 411428834 /nfs/dbraw/zinc/42/88/34/411428834.db2.gz YQIMTEDHHUAMBJ-LLVKDONJSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)C1(COC)CC1 ZINC000653593963 411428837 /nfs/dbraw/zinc/42/88/37/411428837.db2.gz YQIMTEDHHUAMBJ-LLVKDONJSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C1(COC)CC1 ZINC000653593963 411428838 /nfs/dbraw/zinc/42/88/38/411428838.db2.gz YQIMTEDHHUAMBJ-LLVKDONJSA-N 2 2 230.352 0.410 20 0 BCADLP CCc1noc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000122352625 411430255 /nfs/dbraw/zinc/43/02/55/411430255.db2.gz NYSJZTFIYTVKBJ-DTWKUNHWSA-N 2 2 224.308 0.801 20 0 BCADLP CCc1noc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000122352625 411430258 /nfs/dbraw/zinc/43/02/58/411430258.db2.gz NYSJZTFIYTVKBJ-DTWKUNHWSA-N 2 2 224.308 0.801 20 0 BCADLP CCOC(=O)C[N@H+](CCC[NH3+])CC(C)C ZINC000414707514 411440834 /nfs/dbraw/zinc/44/08/34/411440834.db2.gz PTAQMAKDBSBSIH-UHFFFAOYSA-N 2 2 216.325 0.856 20 0 BCADLP CCOC(=O)C[N@@H+](CCC[NH3+])CC(C)C ZINC000414707514 411440837 /nfs/dbraw/zinc/44/08/37/411440837.db2.gz PTAQMAKDBSBSIH-UHFFFAOYSA-N 2 2 216.325 0.856 20 0 BCADLP C1C[C@@H]([NH+]2CCC([NH2+][C@H]3CCOC3)CC2)CO1 ZINC000655736884 411443028 /nfs/dbraw/zinc/44/30/28/411443028.db2.gz HTYQPGMNUWDZMC-QWHCGFSZSA-N 2 2 240.347 0.618 20 0 BCADLP C[NH+](C)CCC[NH2+]Cc1cc2n(n1)CCC2 ZINC000657286721 411446013 /nfs/dbraw/zinc/44/60/13/411446013.db2.gz BQYJHSUUNGDHIM-UHFFFAOYSA-N 2 2 222.336 0.871 20 0 BCADLP CN(C(=O)C[N@H+](C)CCC[NH3+])c1ccccc1 ZINC000123332928 411449767 /nfs/dbraw/zinc/44/97/67/411449767.db2.gz RLZIYSMFYSAHPO-UHFFFAOYSA-N 2 2 235.331 0.930 20 0 BCADLP CN(C(=O)C[N@@H+](C)CCC[NH3+])c1ccccc1 ZINC000123332928 411449770 /nfs/dbraw/zinc/44/97/70/411449770.db2.gz RLZIYSMFYSAHPO-UHFFFAOYSA-N 2 2 235.331 0.930 20 0 BCADLP Cc1c[nH]c(C[NH2+]CCc2cn(C)c[nH+]2)n1 ZINC000657489172 411532619 /nfs/dbraw/zinc/53/26/19/411532619.db2.gz NOWYDIJRWFBVQJ-UHFFFAOYSA-N 2 2 219.292 0.784 20 0 BCADLP CCN1CC[C@@H]([NH+]2CCC([NH+](C)C)CC2)C1=O ZINC000659839181 411470516 /nfs/dbraw/zinc/47/05/16/411470516.db2.gz SOLBLGHLUGHXPZ-GFCCVEGCSA-N 2 2 239.363 0.633 20 0 BCADLP CN(C)C(=O)CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657339177 411472906 /nfs/dbraw/zinc/47/29/06/411472906.db2.gz NRJWOMCYMUABJA-UHFFFAOYSA-N 2 2 236.319 0.397 20 0 BCADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)CO1 ZINC000657354852 411474304 /nfs/dbraw/zinc/47/43/04/411474304.db2.gz WQNDLXGGSBHCRU-GMTAPVOTSA-N 2 2 216.325 0.066 20 0 BCADLP O=C(NCCn1cc[nH+]c1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407293984 411477770 /nfs/dbraw/zinc/47/77/70/411477770.db2.gz JXUXQDYLFZTTMO-VXGBXAGGSA-N 2 2 248.330 0.530 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@@H](O)C2CC2)n1C ZINC000657366731 411478848 /nfs/dbraw/zinc/47/88/48/411478848.db2.gz LDDBGLHWWDYVRZ-LLVKDONJSA-N 2 2 209.293 0.589 20 0 BCADLP CC[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)CO1 ZINC000657357407 411479025 /nfs/dbraw/zinc/47/90/25/411479025.db2.gz NRFNKXFOQMEPNF-RWMBFGLXSA-N 2 2 241.379 0.389 20 0 BCADLP CC[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)CO1 ZINC000657357407 411479027 /nfs/dbraw/zinc/47/90/27/411479027.db2.gz NRFNKXFOQMEPNF-RWMBFGLXSA-N 2 2 241.379 0.389 20 0 BCADLP C[C@@H](C(=O)N1CC[N@H+](C)C(C)(C)C1)[NH+](C)C ZINC000655051812 411486633 /nfs/dbraw/zinc/48/66/33/411486633.db2.gz QFNHNIZXDOXVOV-JTQLQIEISA-N 2 2 227.352 0.489 20 0 BCADLP C[C@@H](C(=O)N1CC[N@@H+](C)C(C)(C)C1)[NH+](C)C ZINC000655051812 411486635 /nfs/dbraw/zinc/48/66/35/411486635.db2.gz QFNHNIZXDOXVOV-JTQLQIEISA-N 2 2 227.352 0.489 20 0 BCADLP CC(C)[C@@H](CO)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657388355 411490359 /nfs/dbraw/zinc/49/03/59/411490359.db2.gz JYFKQVYTSSCBDE-LLVKDONJSA-N 2 2 223.320 0.936 20 0 BCADLP C[C@H](C[NH3+])NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659530806 411490369 /nfs/dbraw/zinc/49/03/69/411490369.db2.gz LVNRPTMLIVPMQL-SFYZADRCSA-N 2 2 225.296 0.128 20 0 BCADLP C[C@@]1(C[NH2+]CCCn2cc[nH+]c2)CC[NH2+]C1 ZINC000415100065 411491798 /nfs/dbraw/zinc/49/17/98/411491798.db2.gz HHQWYYHXQLUNSO-LBPRGKRZSA-N 3 2 222.336 0.862 20 0 BCADLP Cn1c[nH+]c(CN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000659901472 411492197 /nfs/dbraw/zinc/49/21/97/411492197.db2.gz WEDNEDDFWCYABS-GFCCVEGCSA-N 2 2 238.335 0.183 20 0 BCADLP CCn1cc[nH+]c1CNC(=O)[C@H](C)[NH+](C)C ZINC000655128053 411501101 /nfs/dbraw/zinc/50/11/01/411501101.db2.gz JPGGUJVYCFPYAP-VIFPVBQESA-N 2 2 224.308 0.469 20 0 BCADLP COC[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)OC ZINC000657428777 411507528 /nfs/dbraw/zinc/50/75/28/411507528.db2.gz BACHZSPMEVCHKX-LLVKDONJSA-N 2 2 239.319 0.580 20 0 BCADLP NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657485105 411530155 /nfs/dbraw/zinc/53/01/55/411530155.db2.gz UDUOMBYDPHIFOM-ZJUUUORDSA-N 2 2 248.330 0.573 20 0 BCADLP [NH3+]Cc1cccc(NC(=O)[C@@H]2CSC[NH2+]2)c1 ZINC000130082527 411531178 /nfs/dbraw/zinc/53/11/78/411531178.db2.gz GUCCADXPLDZKDR-JTQLQIEISA-N 2 2 237.328 0.746 20 0 BCADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ncc[nH]2)C1 ZINC000049715470 170016620 /nfs/dbraw/zinc/01/66/20/170016620.db2.gz HUZHETSLHMGPPB-SNVBAGLBSA-N 2 2 208.309 0.841 20 0 BCADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2ncc[nH]2)C1 ZINC000049715470 170016621 /nfs/dbraw/zinc/01/66/21/170016621.db2.gz HUZHETSLHMGPPB-SNVBAGLBSA-N 2 2 208.309 0.841 20 0 BCADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CS(C)(=O)=O)C1 ZINC000081900484 170017390 /nfs/dbraw/zinc/01/73/90/170017390.db2.gz NBPWBTXKQUXEHV-WDEREUQCSA-N 2 2 248.392 0.351 20 0 BCADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CS(C)(=O)=O)C1 ZINC000081900484 170017391 /nfs/dbraw/zinc/01/73/91/170017391.db2.gz NBPWBTXKQUXEHV-WDEREUQCSA-N 2 2 248.392 0.351 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC)C[C@@H]1C ZINC000362174129 170019442 /nfs/dbraw/zinc/01/94/42/170019442.db2.gz UDXARDLGGYGIGK-QWRGUYRKSA-N 2 2 227.352 0.537 20 0 BCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC)C[C@@H]1C ZINC000362174129 170019444 /nfs/dbraw/zinc/01/94/44/170019444.db2.gz UDXARDLGGYGIGK-QWRGUYRKSA-N 2 2 227.352 0.537 20 0 BCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC)C[C@@H]1C ZINC000362174129 170019445 /nfs/dbraw/zinc/01/94/45/170019445.db2.gz UDXARDLGGYGIGK-QWRGUYRKSA-N 2 2 227.352 0.537 20 0 BCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC)C[C@@H]1C ZINC000362174129 170019447 /nfs/dbraw/zinc/01/94/47/170019447.db2.gz UDXARDLGGYGIGK-QWRGUYRKSA-N 2 2 227.352 0.537 20 0 BCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOCCO ZINC000304859127 170023219 /nfs/dbraw/zinc/02/32/19/170023219.db2.gz YBDJCHQTQZMEHY-OLZOCXBDSA-N 2 2 242.363 0.554 20 0 BCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOCCO ZINC000304859127 170023222 /nfs/dbraw/zinc/02/32/22/170023222.db2.gz YBDJCHQTQZMEHY-OLZOCXBDSA-N 2 2 242.363 0.554 20 0 BCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCOCCO ZINC000304859127 170023224 /nfs/dbraw/zinc/02/32/24/170023224.db2.gz YBDJCHQTQZMEHY-OLZOCXBDSA-N 2 2 242.363 0.554 20 0 BCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCOCCO ZINC000304859127 170023225 /nfs/dbraw/zinc/02/32/25/170023225.db2.gz YBDJCHQTQZMEHY-OLZOCXBDSA-N 2 2 242.363 0.554 20 0 BCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOCC[NH3+] ZINC000357081929 170024648 /nfs/dbraw/zinc/02/46/48/170024648.db2.gz NVLJAUPTMNJVTG-OLZOCXBDSA-N 3 2 241.379 0.520 20 0 BCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOCC[NH3+] ZINC000357081929 170024650 /nfs/dbraw/zinc/02/46/50/170024650.db2.gz NVLJAUPTMNJVTG-OLZOCXBDSA-N 3 2 241.379 0.520 20 0 BCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCOCC[NH3+] ZINC000357081929 170024652 /nfs/dbraw/zinc/02/46/52/170024652.db2.gz NVLJAUPTMNJVTG-OLZOCXBDSA-N 3 2 241.379 0.520 20 0 BCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCOCC[NH3+] ZINC000357081929 170024653 /nfs/dbraw/zinc/02/46/53/170024653.db2.gz NVLJAUPTMNJVTG-OLZOCXBDSA-N 3 2 241.379 0.520 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCCO)C1 ZINC000336669164 170029623 /nfs/dbraw/zinc/02/96/23/170029623.db2.gz XGSBUMAYMBNEFI-MNOVXSKESA-N 2 2 200.326 0.689 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCCO)C1 ZINC000336669164 170029624 /nfs/dbraw/zinc/02/96/24/170029624.db2.gz XGSBUMAYMBNEFI-MNOVXSKESA-N 2 2 200.326 0.689 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CCc2cnccn2)[C@@H](C)C1 ZINC000341271711 170034688 /nfs/dbraw/zinc/03/46/88/170034688.db2.gz VUMIBYOPAXSREU-AAEUAGOBSA-N 2 2 234.347 0.949 20 0 BCADLP CC[N@H+]1C[C@H](NC[C@@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000358139058 170034699 /nfs/dbraw/zinc/03/46/99/170034699.db2.gz WAEXFJZTEJQROP-XQQFMLRXSA-N 2 2 241.379 0.247 20 0 BCADLP CC[N@@H+]1C[C@H](NC[C@@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000358139058 170034701 /nfs/dbraw/zinc/03/47/01/170034701.db2.gz WAEXFJZTEJQROP-XQQFMLRXSA-N 2 2 241.379 0.247 20 0 BCADLP CC[NH+]1C[C@H](NC[C@@H]2C[N@H+](C)CCO2)[C@@H](C)C1 ZINC000358139058 170034703 /nfs/dbraw/zinc/03/47/03/170034703.db2.gz WAEXFJZTEJQROP-XQQFMLRXSA-N 2 2 241.379 0.247 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]C[C@H](C)OC)[C@@H](C)C1 ZINC000308504189 170035234 /nfs/dbraw/zinc/03/52/34/170035234.db2.gz IAJGLAJPALTLGD-DCAQKATOSA-N 2 2 200.326 0.951 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H](C)OC)[C@@H](C)C1 ZINC000308504189 170035235 /nfs/dbraw/zinc/03/52/35/170035235.db2.gz IAJGLAJPALTLGD-DCAQKATOSA-N 2 2 200.326 0.951 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+][C@@H](CO)C(C)C)[C@@H](C)C1 ZINC000336754485 170036732 /nfs/dbraw/zinc/03/67/32/170036732.db2.gz HKUZTDARPHTVNB-SRVKXCTJSA-N 2 2 214.353 0.933 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](CO)C(C)C)[C@@H](C)C1 ZINC000336754485 170036733 /nfs/dbraw/zinc/03/67/33/170036733.db2.gz HKUZTDARPHTVNB-SRVKXCTJSA-N 2 2 214.353 0.933 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCc2cnccn2)C1 ZINC000341271715 170038412 /nfs/dbraw/zinc/03/84/12/170038412.db2.gz VUMIBYOPAXSREU-WCQYABFASA-N 2 2 234.347 0.949 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCc2cnccn2)C1 ZINC000341271715 170038414 /nfs/dbraw/zinc/03/84/14/170038414.db2.gz VUMIBYOPAXSREU-WCQYABFASA-N 2 2 234.347 0.949 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC[C@H](O)COC)C1 ZINC000309645106 170038815 /nfs/dbraw/zinc/03/88/15/170038815.db2.gz LZXIPAGUTOIFTJ-SDDRHHMPSA-N 2 2 230.352 0.314 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC[C@H](O)COC)C1 ZINC000309645106 170038817 /nfs/dbraw/zinc/03/88/17/170038817.db2.gz LZXIPAGUTOIFTJ-SDDRHHMPSA-N 2 2 230.352 0.314 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCn2cccn2)C1 ZINC000309494843 170038938 /nfs/dbraw/zinc/03/89/38/170038938.db2.gz YDJQAZRMAYMCHU-NWDGAFQWSA-N 2 2 222.336 0.813 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCn2cccn2)C1 ZINC000309494843 170038939 /nfs/dbraw/zinc/03/89/39/170038939.db2.gz YDJQAZRMAYMCHU-NWDGAFQWSA-N 2 2 222.336 0.813 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](CCO)COC)C1 ZINC000336776440 170039021 /nfs/dbraw/zinc/03/90/21/170039021.db2.gz FWEFJJPNTMOAMV-SDDRHHMPSA-N 2 2 230.352 0.314 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](CCO)COC)C1 ZINC000336776440 170039022 /nfs/dbraw/zinc/03/90/22/170039022.db2.gz FWEFJJPNTMOAMV-SDDRHHMPSA-N 2 2 230.352 0.314 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCOC)C1 ZINC000308579788 170039041 /nfs/dbraw/zinc/03/90/41/170039041.db2.gz GBICXLRCBORVFN-WDEREUQCSA-N 2 2 200.326 0.953 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCOC)C1 ZINC000308579788 170039042 /nfs/dbraw/zinc/03/90/42/170039042.db2.gz GBICXLRCBORVFN-WDEREUQCSA-N 2 2 200.326 0.953 20 0 BCADLP O=C1NCC[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000657525906 411542646 /nfs/dbraw/zinc/54/26/46/411542646.db2.gz WGLNYJDNZGYLBV-JTQLQIEISA-N 2 2 230.271 0.312 20 0 BCADLP CCOC(=O)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000036192550 170205230 /nfs/dbraw/zinc/20/52/30/170205230.db2.gz NZUCUMGUFBNWPE-UHFFFAOYSA-N 2 2 228.336 0.966 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]C/C=C\CO)n1C ZINC000657594381 411559758 /nfs/dbraw/zinc/55/97/58/411559758.db2.gz QADHSMCHQDDQIA-PLNGDYQASA-N 2 2 224.308 0.124 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227070734 170266082 /nfs/dbraw/zinc/26/60/82/170266082.db2.gz HSRAJVREWUPWBZ-LPEHRKFASA-N 2 2 214.309 0.607 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227070734 170266083 /nfs/dbraw/zinc/26/60/83/170266083.db2.gz HSRAJVREWUPWBZ-LPEHRKFASA-N 2 2 214.309 0.607 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250653646 170266972 /nfs/dbraw/zinc/26/69/72/170266972.db2.gz AAUYIPMWDYCMME-DCAQKATOSA-N 2 2 228.336 0.997 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250653646 170266973 /nfs/dbraw/zinc/26/69/73/170266973.db2.gz AAUYIPMWDYCMME-DCAQKATOSA-N 2 2 228.336 0.997 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C[C@H]1CS2 ZINC000660779948 411628820 /nfs/dbraw/zinc/62/88/20/411628820.db2.gz KPGPNMWKKXXINJ-SRVKXCTJSA-N 2 2 244.404 0.877 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C[C@H]1CS2 ZINC000660779948 411628823 /nfs/dbraw/zinc/62/88/23/411628823.db2.gz KPGPNMWKKXXINJ-SRVKXCTJSA-N 2 2 244.404 0.877 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000660779948 411628827 /nfs/dbraw/zinc/62/88/27/411628827.db2.gz KPGPNMWKKXXINJ-SRVKXCTJSA-N 2 2 244.404 0.877 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000660779948 411628832 /nfs/dbraw/zinc/62/88/32/411628832.db2.gz KPGPNMWKKXXINJ-SRVKXCTJSA-N 2 2 244.404 0.877 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CCOCC)C1 ZINC000663367041 411635174 /nfs/dbraw/zinc/63/51/74/411635174.db2.gz ZPVFVPHZTKJNIY-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CCOCC)C1 ZINC000663367041 411635177 /nfs/dbraw/zinc/63/51/77/411635177.db2.gz ZPVFVPHZTKJNIY-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP CCOCC[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000308620242 170416034 /nfs/dbraw/zinc/41/60/34/170416034.db2.gz SVTCZLZNIUIIIO-QWRGUYRKSA-N 2 2 200.326 0.953 20 0 BCADLP CCOCC[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000308620242 170416035 /nfs/dbraw/zinc/41/60/35/170416035.db2.gz SVTCZLZNIUIIIO-QWRGUYRKSA-N 2 2 200.326 0.953 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](CO)CC1CC1 ZINC000657700212 411582734 /nfs/dbraw/zinc/58/27/34/411582734.db2.gz MSYNQMHEPQEQPU-WXHSDQCUSA-N 2 2 226.364 0.935 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](CO)CC1CC1 ZINC000657700212 411582736 /nfs/dbraw/zinc/58/27/36/411582736.db2.gz MSYNQMHEPQEQPU-WXHSDQCUSA-N 2 2 226.364 0.935 20 0 BCADLP Cc1cncc(CC[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC000657712493 411585990 /nfs/dbraw/zinc/58/59/90/411585990.db2.gz WFVFOMSRISXICB-MFKMUULPSA-N 2 2 234.347 0.867 20 0 BCADLP Cc1cncc(CC[NH2+][C@H]2C[N@H+](C)C[C@H]2C)n1 ZINC000657712493 411585992 /nfs/dbraw/zinc/58/59/92/411585992.db2.gz WFVFOMSRISXICB-MFKMUULPSA-N 2 2 234.347 0.867 20 0 BCADLP C[C@@H](C[NH2+][C@H]1CCCNC(=O)C1)[N@H+](C)C1CC1 ZINC000217952551 411589045 /nfs/dbraw/zinc/58/90/45/411589045.db2.gz WZXHQPFQWOLBIO-QWRGUYRKSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@@H](C[NH2+][C@H]1CCCNC(=O)C1)[N@@H+](C)C1CC1 ZINC000217952551 411589047 /nfs/dbraw/zinc/58/90/47/411589047.db2.gz WZXHQPFQWOLBIO-QWRGUYRKSA-N 2 2 239.363 0.727 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)C1(CO)CC1 ZINC000660544261 411598337 /nfs/dbraw/zinc/59/83/37/411598337.db2.gz SFUPXCXYVYWUDA-LLVKDONJSA-N 2 2 230.352 0.144 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1(CO)CC1 ZINC000660544261 411598339 /nfs/dbraw/zinc/59/83/39/411598339.db2.gz SFUPXCXYVYWUDA-LLVKDONJSA-N 2 2 230.352 0.144 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)C1(CO)CC1 ZINC000660544261 411598340 /nfs/dbraw/zinc/59/83/40/411598340.db2.gz SFUPXCXYVYWUDA-LLVKDONJSA-N 2 2 230.352 0.144 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1(CO)CC1 ZINC000660544261 411598342 /nfs/dbraw/zinc/59/83/42/411598342.db2.gz SFUPXCXYVYWUDA-LLVKDONJSA-N 2 2 230.352 0.144 20 0 BCADLP CC[N@H+](C)C[C@@H](O)CN1CCn2c[nH+]cc2C1 ZINC000660584215 411603622 /nfs/dbraw/zinc/60/36/22/411603622.db2.gz QTXRUKAXUDMHQD-GFCCVEGCSA-N 2 2 238.335 0.011 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)CN1CCn2c[nH+]cc2C1 ZINC000660584215 411603624 /nfs/dbraw/zinc/60/36/24/411603624.db2.gz QTXRUKAXUDMHQD-GFCCVEGCSA-N 2 2 238.335 0.011 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+]CCn1cc[nH+]c1 ZINC000657821572 411607278 /nfs/dbraw/zinc/60/72/78/411607278.db2.gz QUEWGQJEOVPUJR-SNVBAGLBSA-N 2 2 220.280 0.153 20 0 BCADLP Cn1c[nH+]c(CN2CC[C@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000660611417 411607504 /nfs/dbraw/zinc/60/75/04/411607504.db2.gz QSROAKVISDWEME-JQWIXIFHSA-N 2 2 220.320 0.556 20 0 BCADLP Cn1c[nH+]c(CN2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC000660611417 411607505 /nfs/dbraw/zinc/60/75/05/411607505.db2.gz QSROAKVISDWEME-JQWIXIFHSA-N 2 2 220.320 0.556 20 0 BCADLP CCNC(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660652054 411613029 /nfs/dbraw/zinc/61/30/29/411613029.db2.gz FRCZXRLRBJXPEU-ZDUSSCGKSA-N 2 2 239.363 0.540 20 0 BCADLP CCNC(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660652054 411613031 /nfs/dbraw/zinc/61/30/31/411613031.db2.gz FRCZXRLRBJXPEU-ZDUSSCGKSA-N 2 2 239.363 0.540 20 0 BCADLP CCNC(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660652054 411613032 /nfs/dbraw/zinc/61/30/32/411613032.db2.gz FRCZXRLRBJXPEU-ZDUSSCGKSA-N 2 2 239.363 0.540 20 0 BCADLP CCNC(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660652054 411613034 /nfs/dbraw/zinc/61/30/34/411613034.db2.gz FRCZXRLRBJXPEU-ZDUSSCGKSA-N 2 2 239.363 0.540 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000657872270 411614099 /nfs/dbraw/zinc/61/40/99/411614099.db2.gz PRRFTGHLPYSXSC-NXEZZACHSA-N 2 2 211.313 0.206 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660657728 411614221 /nfs/dbraw/zinc/61/42/21/411614221.db2.gz ZUDVJPVNWMYGHF-CMPLNLGQSA-N 2 2 225.336 0.278 20 0 BCADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660657728 411614222 /nfs/dbraw/zinc/61/42/22/411614222.db2.gz ZUDVJPVNWMYGHF-CMPLNLGQSA-N 2 2 225.336 0.278 20 0 BCADLP C[C@@H](C(N)=O)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660657728 411614224 /nfs/dbraw/zinc/61/42/24/411614224.db2.gz ZUDVJPVNWMYGHF-CMPLNLGQSA-N 2 2 225.336 0.278 20 0 BCADLP C[C@@H](C(N)=O)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660657728 411614226 /nfs/dbraw/zinc/61/42/26/411614226.db2.gz ZUDVJPVNWMYGHF-CMPLNLGQSA-N 2 2 225.336 0.278 20 0 BCADLP Cc1[nH+]ccn1CCN1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000660722366 411618958 /nfs/dbraw/zinc/61/89/58/411618958.db2.gz HFBZXKPYCPEACC-OLZOCXBDSA-N 2 2 234.347 0.827 20 0 BCADLP Cc1[nH+]ccn1CCN1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000660722366 411618959 /nfs/dbraw/zinc/61/89/59/411618959.db2.gz HFBZXKPYCPEACC-OLZOCXBDSA-N 2 2 234.347 0.827 20 0 BCADLP CC1(C)C[N@H+](C[C@@H]2C[NH2+]CCO2)CCS1 ZINC000133318336 411709898 /nfs/dbraw/zinc/70/98/98/411709898.db2.gz JIQCSVFPFRJLCD-JTQLQIEISA-N 2 2 230.377 0.802 20 0 BCADLP CC1(C)C[N@@H+](C[C@@H]2C[NH2+]CCO2)CCS1 ZINC000133318336 411709899 /nfs/dbraw/zinc/70/98/99/411709899.db2.gz JIQCSVFPFRJLCD-JTQLQIEISA-N 2 2 230.377 0.802 20 0 BCADLP C[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC[NH3+] ZINC000133217427 411649008 /nfs/dbraw/zinc/64/90/08/411649008.db2.gz QKYYJAOKAUGSGN-LLVKDONJSA-N 2 2 227.352 0.668 20 0 BCADLP C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC[NH3+] ZINC000133217427 411649013 /nfs/dbraw/zinc/64/90/13/411649013.db2.gz QKYYJAOKAUGSGN-LLVKDONJSA-N 2 2 227.352 0.668 20 0 BCADLP Cc1cc(NC[C@H]2CSCC[NH2+]2)nc[nH+]1 ZINC000641687646 411653582 /nfs/dbraw/zinc/65/35/82/411653582.db2.gz REQABWZLOFHBCT-VIFPVBQESA-N 2 2 224.333 0.902 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)CC[C@@H]1[NH3+] ZINC000663494592 411675591 /nfs/dbraw/zinc/67/55/91/411675591.db2.gz JPUMSZQRQQUTKL-NDBYEHHHSA-N 3 2 223.364 0.655 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)CC[C@@H]1[NH3+] ZINC000663494592 411675595 /nfs/dbraw/zinc/67/55/95/411675595.db2.gz JPUMSZQRQQUTKL-NDBYEHHHSA-N 3 2 223.364 0.655 20 0 BCADLP C[C@@H]1C[N@H+](C[C@]23C[C@H]2C[NH2+]C3)C[C@@]1(C)C[NH3+] ZINC000663495971 411677302 /nfs/dbraw/zinc/67/73/02/411677302.db2.gz BKBALUYWWAYXCD-YVECIDJPSA-N 3 2 223.364 0.513 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@]23C[C@H]2C[NH2+]C3)C[C@@]1(C)C[NH3+] ZINC000663495971 411677306 /nfs/dbraw/zinc/67/73/06/411677306.db2.gz BKBALUYWWAYXCD-YVECIDJPSA-N 3 2 223.364 0.513 20 0 BCADLP Cn1c[nH+]cc1CNCC12CC(C1)C[NH2+]2 ZINC000663497531 411679038 /nfs/dbraw/zinc/67/90/38/411679038.db2.gz GYNWIEMKCHSDIH-UHFFFAOYSA-N 2 2 206.293 0.262 20 0 BCADLP COc1c(N)[nH+]cnc1NC[C@H](C)C[NH+](C)C ZINC000383882759 411682600 /nfs/dbraw/zinc/68/26/00/411682600.db2.gz JYMMHUPGACAQKA-QMMMGPOBSA-N 2 2 239.323 0.677 20 0 BCADLP COc1c(N)nc[nH+]c1NC[C@H](C)C[NH+](C)C ZINC000383882759 411682607 /nfs/dbraw/zinc/68/26/07/411682607.db2.gz JYMMHUPGACAQKA-QMMMGPOBSA-N 2 2 239.323 0.677 20 0 BCADLP [NH3+][C@H]1CCC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000663500614 411684510 /nfs/dbraw/zinc/68/45/10/411684510.db2.gz LUJYGUAXQFXVIQ-YECOWLKZSA-N 3 2 209.337 0.598 20 0 BCADLP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000663502212 411685233 /nfs/dbraw/zinc/68/52/33/411685233.db2.gz FLXNYSWFMYLICF-SDDRHHMPSA-N 3 2 213.369 0.947 20 0 BCADLP Cn1c[nH+]cc1CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000314415415 411690230 /nfs/dbraw/zinc/69/02/30/411690230.db2.gz VHBJKQFEBWQNIW-RYUDHWBXSA-N 3 2 234.347 0.504 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc2c(c1)nnn2C ZINC000663508392 411690498 /nfs/dbraw/zinc/69/04/98/411690498.db2.gz PCCQHOLVPAKHNV-VIFPVBQESA-N 2 2 233.319 0.666 20 0 BCADLP CCn1cc[nH+]c1CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000663506727 411690537 /nfs/dbraw/zinc/69/05/37/411690537.db2.gz OHUKDLQQLSFTLD-NXEZZACHSA-N 2 2 226.299 0.774 20 0 BCADLP COCC(C)(C)C[N@@H+]1CCOC2(C[NH2+]C2)C1 ZINC000663511864 411691486 /nfs/dbraw/zinc/69/14/86/411691486.db2.gz XFNDQETWAYJLMH-UHFFFAOYSA-N 2 2 228.336 0.333 20 0 BCADLP COCC(C)(C)C[N@H+]1CCOC2(C[NH2+]C2)C1 ZINC000663511864 411691488 /nfs/dbraw/zinc/69/14/88/411691488.db2.gz XFNDQETWAYJLMH-UHFFFAOYSA-N 2 2 228.336 0.333 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cnc2cnccn12 ZINC000663511239 411692441 /nfs/dbraw/zinc/69/24/41/411692441.db2.gz WPKGDVXNQNTGLU-SECBINFHSA-N 2 2 219.292 0.427 20 0 BCADLP OCc1ccc(NC[C@@H]2CCC[NH2+]C2)[nH+]c1 ZINC000415109250 411692958 /nfs/dbraw/zinc/69/29/58/411692958.db2.gz QWNMVYUOGQUBSV-SNVBAGLBSA-N 2 2 221.304 0.985 20 0 BCADLP c1cc(NC[C@@H]2C[NH2+]CCCO2)nc(C2CC2)[nH+]1 ZINC000333484452 411701400 /nfs/dbraw/zinc/70/14/00/411701400.db2.gz CMURXXFDCZKPIN-NSHDSACASA-N 2 2 248.330 1.144 20 0 BCADLP Cc1c[nH+]c(C)nc1N[C@@H](C)C[NH+](C)C ZINC000582431031 411737423 /nfs/dbraw/zinc/73/74/23/411737423.db2.gz PYBSFQSXBMHUIP-VIFPVBQESA-N 2 2 208.309 1.455 20 0 BCADLP Cc1nc(N2CC(C[NH+](C)C)C2)cc[nH+]1 ZINC000663953232 411788751 /nfs/dbraw/zinc/78/87/51/411788751.db2.gz YQJSGIYVDXJZCV-UHFFFAOYSA-N 2 2 206.293 0.783 20 0 BCADLP Cn1cc(C[N@H+](C)CCn2cc[nH+]c2)nn1 ZINC000661746137 411864237 /nfs/dbraw/zinc/86/42/37/411864237.db2.gz WJFWDLLDAHHGLJ-UHFFFAOYSA-N 2 2 220.280 0.144 20 0 BCADLP Cn1cc(C[N@@H+](C)CCn2cc[nH+]c2)nn1 ZINC000661746137 411864238 /nfs/dbraw/zinc/86/42/38/411864238.db2.gz WJFWDLLDAHHGLJ-UHFFFAOYSA-N 2 2 220.280 0.144 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000415105106 411865599 /nfs/dbraw/zinc/86/55/99/411865599.db2.gz LWSQBUPHCKBZSP-JTQLQIEISA-N 2 2 249.362 0.976 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000415105106 411865601 /nfs/dbraw/zinc/86/56/01/411865601.db2.gz LWSQBUPHCKBZSP-JTQLQIEISA-N 2 2 249.362 0.976 20 0 BCADLP CC[N@@H+]1CCN(c2nc(C)[nH+]c(N)n2)[C@H](C)C1 ZINC000631273582 411858696 /nfs/dbraw/zinc/85/86/96/411858696.db2.gz AGSLJHKELGWEPS-MRVPVSSYSA-N 2 2 236.323 0.293 20 0 BCADLP CC[N@H+]1CCN(c2nc(C)[nH+]c(N)n2)[C@H](C)C1 ZINC000631273582 411858699 /nfs/dbraw/zinc/85/86/99/411858699.db2.gz AGSLJHKELGWEPS-MRVPVSSYSA-N 2 2 236.323 0.293 20 0 BCADLP Cn1cc(C[N@H+](C)CCCc2c[nH+]cn2C)nn1 ZINC000661744231 411861767 /nfs/dbraw/zinc/86/17/67/411861767.db2.gz RXMGGBTXZHJSSU-UHFFFAOYSA-N 2 2 248.334 0.613 20 0 BCADLP Cn1cc(C[N@@H+](C)CCCc2c[nH+]cn2C)nn1 ZINC000661744231 411861769 /nfs/dbraw/zinc/86/17/69/411861769.db2.gz RXMGGBTXZHJSSU-UHFFFAOYSA-N 2 2 248.334 0.613 20 0 BCADLP COc1c(N)[nH+]cnc1NCC[C@@H](C)[NH+](C)C ZINC000664246952 411897488 /nfs/dbraw/zinc/89/74/88/411897488.db2.gz ZPVWVKKPYYDCHI-MRVPVSSYSA-N 2 2 239.323 0.820 20 0 BCADLP COc1c(N)nc[nH+]c1NCC[C@@H](C)[NH+](C)C ZINC000664246952 411897490 /nfs/dbraw/zinc/89/74/90/411897490.db2.gz ZPVWVKKPYYDCHI-MRVPVSSYSA-N 2 2 239.323 0.820 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cnc(N)s2)C1 ZINC000576346533 411901177 /nfs/dbraw/zinc/90/11/77/411901177.db2.gz LSUAATSGSPEYPH-VIFPVBQESA-N 2 2 240.376 1.157 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cnc(N)s2)C1 ZINC000576346533 411901184 /nfs/dbraw/zinc/90/11/84/411901184.db2.gz LSUAATSGSPEYPH-VIFPVBQESA-N 2 2 240.376 1.157 20 0 BCADLP C[NH2+]C[C@H](C)CNc1nc(N)c2ccccc2[nH+]1 ZINC000563661663 411901736 /nfs/dbraw/zinc/90/17/36/411901736.db2.gz SWNFXXSMVXUQOT-VIFPVBQESA-N 2 2 245.330 0.901 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(N)nc1 ZINC000647547255 411914175 /nfs/dbraw/zinc/91/41/75/411914175.db2.gz SZIKWNOMYCJKDD-ONGXEEELSA-N 2 2 220.320 0.894 20 0 BCADLP C[C@H]1CN(Cc2cc[nH+]c(N)c2)[C@@H](C)C[NH2+]1 ZINC000420340830 411923020 /nfs/dbraw/zinc/92/30/20/411923020.db2.gz SNHXSPWXLAZFEJ-UWVGGRQHSA-N 2 2 220.320 0.846 20 0 BCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000661969613 411926832 /nfs/dbraw/zinc/92/68/32/411926832.db2.gz CWWPTEWEBLURDW-VXGBXAGGSA-N 2 2 237.347 0.102 20 0 BCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000661969613 411926836 /nfs/dbraw/zinc/92/68/36/411926836.db2.gz CWWPTEWEBLURDW-VXGBXAGGSA-N 2 2 237.347 0.102 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cnc(N)s1 ZINC000414960229 411931814 /nfs/dbraw/zinc/93/18/14/411931814.db2.gz UNTXYDSLPRYIIY-VXNVDRBHSA-N 2 2 226.349 0.955 20 0 BCADLP C[C@H]1[NH2+]CCN(Cc2cc[nH+]c(N)c2)[C@H]1C ZINC000420306407 411931975 /nfs/dbraw/zinc/93/19/75/411931975.db2.gz HICUQBSDWJBLNK-ZJUUUORDSA-N 2 2 220.320 0.846 20 0 BCADLP Nc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)ccn1 ZINC000621784394 411941034 /nfs/dbraw/zinc/94/10/34/411941034.db2.gz OIBIJOBFBRYFSG-DGCLKSJQSA-N 2 2 232.331 0.977 20 0 BCADLP Nc1cc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)ccn1 ZINC000621784394 411941038 /nfs/dbraw/zinc/94/10/38/411941038.db2.gz OIBIJOBFBRYFSG-DGCLKSJQSA-N 2 2 232.331 0.977 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cnc(N)s1 ZINC000573000817 411883782 /nfs/dbraw/zinc/88/37/82/411883782.db2.gz TYMDQFFCWLEGCO-PHDIDXHHSA-N 2 2 200.311 0.551 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(N)nc1 ZINC000629653246 411883896 /nfs/dbraw/zinc/88/38/96/411883896.db2.gz IZLWVRZLLNEUCL-WDEREUQCSA-N 2 2 220.320 0.894 20 0 BCADLP Nc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cn1 ZINC000647546619 411976880 /nfs/dbraw/zinc/97/68/80/411976880.db2.gz SAONQXBJNYSKEZ-JTQLQIEISA-N 2 2 206.293 0.491 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662029886 411944105 /nfs/dbraw/zinc/94/41/05/411944105.db2.gz CMJHDUKRTXKOPM-RYUDHWBXSA-N 2 2 235.331 0.931 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662029886 411944109 /nfs/dbraw/zinc/94/41/09/411944109.db2.gz CMJHDUKRTXKOPM-RYUDHWBXSA-N 2 2 235.331 0.931 20 0 BCADLP Nc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000647542403 411955462 /nfs/dbraw/zinc/95/54/62/411955462.db2.gz CAUBOKJYEXHDLE-NWDGAFQWSA-N 2 2 232.331 0.848 20 0 BCADLP Nc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000647542403 411955465 /nfs/dbraw/zinc/95/54/65/411955465.db2.gz CAUBOKJYEXHDLE-NWDGAFQWSA-N 2 2 232.331 0.848 20 0 BCADLP Nc1ccc(NC(=O)[C@@H]2CCCCC[NH2+]2)c[nH+]1 ZINC000364467840 411957645 /nfs/dbraw/zinc/95/76/45/411957645.db2.gz OIPLCDXEQGNTGJ-JTQLQIEISA-N 2 2 234.303 1.135 20 0 BCADLP Nc1ccc(NC(=O)CC[C@H]2CC[NH2+]C2)c[nH+]1 ZINC000517742318 411957820 /nfs/dbraw/zinc/95/78/20/411957820.db2.gz RDNXGGZFAQCBSQ-VIFPVBQESA-N 2 2 234.303 0.992 20 0 BCADLP CN1CCC[C@H]([N@@H+]2CCC[C@@H]([NH3+])C2)C1=O ZINC000662234084 412031889 /nfs/dbraw/zinc/03/18/89/412031889.db2.gz HXLGXODGGLCWRB-ZJUUUORDSA-N 2 2 211.309 0.030 20 0 BCADLP CN1CCC[C@H]([N@H+]2CCC[C@@H]([NH3+])C2)C1=O ZINC000662234084 412031893 /nfs/dbraw/zinc/03/18/93/412031893.db2.gz HXLGXODGGLCWRB-ZJUUUORDSA-N 2 2 211.309 0.030 20 0 BCADLP COC[C@H](C[N@@H+]1CCCC[C@H]1C[NH3+])OC ZINC000662243045 412039647 /nfs/dbraw/zinc/03/96/47/412039647.db2.gz KLXVSGJIZPSOGL-QWRGUYRKSA-N 2 2 216.325 0.461 20 0 BCADLP COC[C@H](C[N@H+]1CCCC[C@H]1C[NH3+])OC ZINC000662243045 412039648 /nfs/dbraw/zinc/03/96/48/412039648.db2.gz KLXVSGJIZPSOGL-QWRGUYRKSA-N 2 2 216.325 0.461 20 0 BCADLP CCC[N@H+](C[C@H](COC)OC)[C@H]1CC[NH2+]C1 ZINC000662246122 412042498 /nfs/dbraw/zinc/04/24/98/412042498.db2.gz PRJJUPZJCGYURQ-NWDGAFQWSA-N 2 2 230.352 0.722 20 0 BCADLP CCC[N@@H+](C[C@H](COC)OC)[C@H]1CC[NH2+]C1 ZINC000662246122 412042500 /nfs/dbraw/zinc/04/25/00/412042500.db2.gz PRJJUPZJCGYURQ-NWDGAFQWSA-N 2 2 230.352 0.722 20 0 BCADLP CO[C@H](C[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1)C1CCC1 ZINC000662247877 412044381 /nfs/dbraw/zinc/04/43/81/412044381.db2.gz NOMZMDAJEDGAIX-CYZMBNFOSA-N 2 2 242.363 0.850 20 0 BCADLP CO[C@H](C[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1)C1CCC1 ZINC000662247877 412044385 /nfs/dbraw/zinc/04/43/85/412044385.db2.gz NOMZMDAJEDGAIX-CYZMBNFOSA-N 2 2 242.363 0.850 20 0 BCADLP CC(C)(C)C[N@H+](CCO)C[C@H]1C[NH2+]CCO1 ZINC000662258786 412052849 /nfs/dbraw/zinc/05/28/49/412052849.db2.gz XPTFHEPTEFZDTG-LLVKDONJSA-N 2 2 230.352 0.315 20 0 BCADLP CC(C)(C)C[N@@H+](CCO)C[C@H]1C[NH2+]CCO1 ZINC000662258786 412052850 /nfs/dbraw/zinc/05/28/50/412052850.db2.gz XPTFHEPTEFZDTG-LLVKDONJSA-N 2 2 230.352 0.315 20 0 BCADLP CC(C)CO[C@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662259548 412053064 /nfs/dbraw/zinc/05/30/64/412053064.db2.gz YQXOTAIRBKFNAP-STQMWFEESA-N 2 2 242.363 0.722 20 0 BCADLP CC(C)CO[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662259548 412053066 /nfs/dbraw/zinc/05/30/66/412053066.db2.gz YQXOTAIRBKFNAP-STQMWFEESA-N 2 2 242.363 0.722 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000662259059 412054404 /nfs/dbraw/zinc/05/44/04/412054404.db2.gz PHOOSOJBGDFJAR-AGIUHOORSA-N 2 2 240.347 0.476 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000662259059 412054407 /nfs/dbraw/zinc/05/44/07/412054407.db2.gz PHOOSOJBGDFJAR-AGIUHOORSA-N 2 2 240.347 0.476 20 0 BCADLP Cc1nnc([C@@H](C)[N@@H+]2CC[C@@](C)(C[NH3+])C2)[nH]1 ZINC000662271453 412062749 /nfs/dbraw/zinc/06/27/49/412062749.db2.gz HFJZOTXEPPKGFL-KCJUWKMLSA-N 2 2 223.324 0.845 20 0 BCADLP Cc1nnc([C@@H](C)[N@H+]2CC[C@@](C)(C[NH3+])C2)[nH]1 ZINC000662271453 412062753 /nfs/dbraw/zinc/06/27/53/412062753.db2.gz HFJZOTXEPPKGFL-KCJUWKMLSA-N 2 2 223.324 0.845 20 0 BCADLP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H](C[NH3+])C1CC1 ZINC000662272649 412063204 /nfs/dbraw/zinc/06/32/04/412063204.db2.gz HKNOYPGYDJQYOJ-NEPJUHHUSA-N 3 2 239.363 0.177 20 0 BCADLP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H](C[NH3+])C1CC1 ZINC000662272649 412063207 /nfs/dbraw/zinc/06/32/07/412063207.db2.gz HKNOYPGYDJQYOJ-NEPJUHHUSA-N 3 2 239.363 0.177 20 0 BCADLP CCN1CC[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000662274404 412064707 /nfs/dbraw/zinc/06/47/07/412064707.db2.gz TWPRHKZPZJLVEF-UTUOFQBUSA-N 2 2 237.347 0.291 20 0 BCADLP CCN1CC[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000662274404 412064711 /nfs/dbraw/zinc/06/47/11/412064711.db2.gz TWPRHKZPZJLVEF-UTUOFQBUSA-N 2 2 237.347 0.291 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000353442356 171148938 /nfs/dbraw/zinc/14/89/38/171148938.db2.gz BVQGSPIQXPMOLD-ZJUUUORDSA-N 2 2 236.319 0.457 20 0 BCADLP CCN1CC[C@H]([N@H+](C)CCC[NH2+]C)C1=O ZINC000662280281 412070693 /nfs/dbraw/zinc/07/06/93/412070693.db2.gz CEHMBTITYMUMEJ-JTQLQIEISA-N 2 2 213.325 0.149 20 0 BCADLP CCN1CC[C@H]([N@@H+](C)CCC[NH2+]C)C1=O ZINC000662280281 412070694 /nfs/dbraw/zinc/07/06/94/412070694.db2.gz CEHMBTITYMUMEJ-JTQLQIEISA-N 2 2 213.325 0.149 20 0 BCADLP COCC1(C)CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662278688 412071562 /nfs/dbraw/zinc/07/15/62/412071562.db2.gz KERVMRXHIMFYHB-GFCCVEGCSA-N 2 2 242.363 0.723 20 0 BCADLP Cc1csc(C[NH2+]C2(CO)CC[NH2+]CC2)n1 ZINC000662282991 412074809 /nfs/dbraw/zinc/07/48/09/412074809.db2.gz FRHMZWXPVGIWBM-UHFFFAOYSA-N 2 2 241.360 0.656 20 0 BCADLP OCC[C@H]1CCCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662298484 412083503 /nfs/dbraw/zinc/08/35/03/412083503.db2.gz CZRUUKZHTAXIPC-VXGBXAGGSA-N 2 2 228.336 0.212 20 0 BCADLP OCC[C@H]1CCCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662298484 412083506 /nfs/dbraw/zinc/08/35/06/412083506.db2.gz CZRUUKZHTAXIPC-VXGBXAGGSA-N 2 2 228.336 0.212 20 0 BCADLP CC[C@H](C)NC(=O)CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000358007072 171323893 /nfs/dbraw/zinc/32/38/93/171323893.db2.gz RKPNXQSWFWYWEM-SRVKXCTJSA-N 2 2 241.379 0.831 20 0 BCADLP CC[C@H](C)NC(=O)CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000358007072 171323895 /nfs/dbraw/zinc/32/38/95/171323895.db2.gz RKPNXQSWFWYWEM-SRVKXCTJSA-N 2 2 241.379 0.831 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221296850 171324439 /nfs/dbraw/zinc/32/44/39/171324439.db2.gz BKOAZKZVKYEDJN-QWRGUYRKSA-N 2 2 227.352 0.442 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221296850 171324440 /nfs/dbraw/zinc/32/44/40/171324440.db2.gz BKOAZKZVKYEDJN-QWRGUYRKSA-N 2 2 227.352 0.442 20 0 BCADLP CC[C@H](C)NC(=O)[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000037267392 171335253 /nfs/dbraw/zinc/33/52/53/171335253.db2.gz NECNPWKMOJSIEU-QWRGUYRKSA-N 2 2 241.379 0.973 20 0 BCADLP [NH3+]CC[N@H+](C[C@@H](O)CO)CC1CCCCC1 ZINC000662289596 412079623 /nfs/dbraw/zinc/07/96/23/412079623.db2.gz SUHNYZSKPRAHLB-GFCCVEGCSA-N 2 2 230.352 0.181 20 0 BCADLP [NH3+]CC[N@@H+](C[C@@H](O)CO)CC1CCCCC1 ZINC000662289596 412079628 /nfs/dbraw/zinc/07/96/28/412079628.db2.gz SUHNYZSKPRAHLB-GFCCVEGCSA-N 2 2 230.352 0.181 20 0 BCADLP Cc1cccc(C[N@H+](CC[NH3+])C[C@@H](O)CO)c1 ZINC000662288200 412079837 /nfs/dbraw/zinc/07/98/37/412079837.db2.gz FQKTUJYDQYTCEB-CYBMUJFWSA-N 2 2 238.331 0.109 20 0 BCADLP Cc1cccc(C[N@@H+](CC[NH3+])C[C@@H](O)CO)c1 ZINC000662288200 412079841 /nfs/dbraw/zinc/07/98/41/412079841.db2.gz FQKTUJYDQYTCEB-CYBMUJFWSA-N 2 2 238.331 0.109 20 0 BCADLP C[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)[C@H]1CCO ZINC000662303279 412088244 /nfs/dbraw/zinc/08/82/44/412088244.db2.gz UVSXGUYNSHXIEF-UPJWGTAASA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)[C@H]1CCO ZINC000662303279 412088247 /nfs/dbraw/zinc/08/82/47/412088247.db2.gz UVSXGUYNSHXIEF-UPJWGTAASA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)[C@@H]1CCO ZINC000662303277 412088463 /nfs/dbraw/zinc/08/84/63/412088463.db2.gz UVSXGUYNSHXIEF-FRRDWIJNSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)[C@@H]1CCO ZINC000662303277 412088466 /nfs/dbraw/zinc/08/84/66/412088466.db2.gz UVSXGUYNSHXIEF-FRRDWIJNSA-N 2 2 242.363 0.458 20 0 BCADLP Cc1cnn(CC[N@@H+]2CC3CC2(C[NH3+])C3)c1 ZINC000662305220 412091328 /nfs/dbraw/zinc/09/13/28/412091328.db2.gz DTRJMVMPJVRPLE-UHFFFAOYSA-N 2 2 220.320 0.615 20 0 BCADLP Cc1cnn(CC[N@H+]2CC3CC2(C[NH3+])C3)c1 ZINC000662305220 412091331 /nfs/dbraw/zinc/09/13/31/412091331.db2.gz DTRJMVMPJVRPLE-UHFFFAOYSA-N 2 2 220.320 0.615 20 0 BCADLP CC[C@@H]1C(=O)N(CC)CC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000662306591 412091347 /nfs/dbraw/zinc/09/13/47/412091347.db2.gz SCRIBWJMPVKZJE-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP CC[C@@H]1C(=O)N(CC)CC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000662306591 412091351 /nfs/dbraw/zinc/09/13/51/412091351.db2.gz SCRIBWJMPVKZJE-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000662315469 412095300 /nfs/dbraw/zinc/09/53/00/412095300.db2.gz PZNGKEZDLTVUPS-OLZOCXBDSA-N 2 2 240.347 0.477 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000662315469 412095304 /nfs/dbraw/zinc/09/53/04/412095304.db2.gz PZNGKEZDLTVUPS-OLZOCXBDSA-N 2 2 240.347 0.477 20 0 BCADLP c1cnc2c(n1)CC[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000662314655 412095760 /nfs/dbraw/zinc/09/57/60/412095760.db2.gz AFVYGOBFFFSDBZ-SNVBAGLBSA-N 2 2 218.304 0.444 20 0 BCADLP c1cnc2c(n1)CC[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000662314655 412095763 /nfs/dbraw/zinc/09/57/63/412095763.db2.gz AFVYGOBFFFSDBZ-SNVBAGLBSA-N 2 2 218.304 0.444 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000662315476 412096759 /nfs/dbraw/zinc/09/67/59/412096759.db2.gz PZNGKEZDLTVUPS-STQMWFEESA-N 2 2 240.347 0.477 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000662315476 412096762 /nfs/dbraw/zinc/09/67/62/412096762.db2.gz PZNGKEZDLTVUPS-STQMWFEESA-N 2 2 240.347 0.477 20 0 BCADLP CC[C@H]([NH2+]C)C(=O)NCCCn1cc[nH+]c1 ZINC000662347710 412119223 /nfs/dbraw/zinc/11/92/23/412119223.db2.gz JSWLNVAJSJHBOZ-JTQLQIEISA-N 2 2 224.308 0.387 20 0 BCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC3CC2(C)C3)CC1 ZINC000662381683 412133641 /nfs/dbraw/zinc/13/36/41/412133641.db2.gz ARXJYTZXIGYCJT-UHFFFAOYSA-N 2 2 237.347 0.245 20 0 BCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC3CC2(C)C3)CC1 ZINC000662381683 412133642 /nfs/dbraw/zinc/13/36/42/412133642.db2.gz ARXJYTZXIGYCJT-UHFFFAOYSA-N 2 2 237.347 0.245 20 0 BCADLP C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[NH2+]C1 ZINC000665241209 412184306 /nfs/dbraw/zinc/18/43/06/412184306.db2.gz DRDDUCXSNUMDCY-ZJUUUORDSA-N 2 2 206.293 0.359 20 0 BCADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000665241465 412184412 /nfs/dbraw/zinc/18/44/12/412184412.db2.gz NDLIVJIMNJPYGU-PWSUYJOCSA-N 3 2 234.347 0.861 20 0 BCADLP CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000665242653 412187774 /nfs/dbraw/zinc/18/77/74/412187774.db2.gz FYFPNNHJFRWDLF-DCAQKATOSA-N 2 2 246.376 0.294 20 0 BCADLP CCn1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])nn1 ZINC000665245124 412189787 /nfs/dbraw/zinc/18/97/87/412189787.db2.gz AEZRFNZIGUAACR-BDAKNGLRSA-N 2 2 211.313 0.513 20 0 BCADLP CC(C)[NH2+]CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000662501659 412196821 /nfs/dbraw/zinc/19/68/21/412196821.db2.gz KVFGMFHYGWROKL-UHFFFAOYSA-N 2 2 246.314 0.949 20 0 BCADLP CC[C@@H](O)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000665261415 412204032 /nfs/dbraw/zinc/20/40/32/412204032.db2.gz BWEHDPWQHLZVAF-IJLUTSLNSA-N 2 2 228.336 0.114 20 0 BCADLP C[C@@H]1C[C@H](CNc2ccc(CO)c[nH+]2)CC[NH2+]1 ZINC000415100746 412158953 /nfs/dbraw/zinc/15/89/53/412158953.db2.gz HFJJHPVTCAAUKZ-GHMZBOCLSA-N 2 2 235.331 1.374 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCc1ccoc1 ZINC000662664403 412263332 /nfs/dbraw/zinc/26/33/32/412263332.db2.gz WXOJLSFNEISLMA-LLVKDONJSA-N 2 2 239.319 0.217 20 0 BCADLP [NH3+][C@H]1C[C@H](C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000662664845 412263871 /nfs/dbraw/zinc/26/38/71/412263871.db2.gz VSXXFLPQAQSARS-MGCOHNPYSA-N 2 2 244.298 0.688 20 0 BCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662677907 412267516 /nfs/dbraw/zinc/26/75/16/412267516.db2.gz AUTSQZIOUIDKLQ-XYPYZODXSA-N 2 2 248.330 0.501 20 0 BCADLP CN(C)c1ccc(CNC(=O)[C@H]2C[C@H]([NH3+])C2)c[nH+]1 ZINC000662678421 412268422 /nfs/dbraw/zinc/26/84/22/412268422.db2.gz DUUQJYMYURZAOE-XYPYZODXSA-N 2 2 248.330 0.501 20 0 BCADLP [NH3+]C1(CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000662738635 412289228 /nfs/dbraw/zinc/28/92/28/412289228.db2.gz XGBKSOLHQLVUTF-UHFFFAOYSA-N 2 2 248.330 0.997 20 0 BCADLP [NH3+]C1(CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000662738635 412289229 /nfs/dbraw/zinc/28/92/29/412289229.db2.gz XGBKSOLHQLVUTF-UHFFFAOYSA-N 2 2 248.330 0.997 20 0 BCADLP O=C(NCCc1[nH]cc[nH+]1)C1([NH2+]C2CC2)CCC1 ZINC000662730774 412286536 /nfs/dbraw/zinc/28/65/36/412286536.db2.gz PDGBMHLDYBZLCH-UHFFFAOYSA-N 2 2 248.330 0.743 20 0 BCADLP CCS(=O)(=O)C1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000665275368 412219490 /nfs/dbraw/zinc/21/94/90/412219490.db2.gz JENKJFOBPCRORZ-VHSXEESVSA-N 2 2 246.376 0.423 20 0 BCADLP c1cn2c([nH+]1)[C@H](NCC13CC(C1)C[NH2+]3)CC2 ZINC000665280335 412224749 /nfs/dbraw/zinc/22/47/49/412224749.db2.gz ZDLGGVAWJGNELQ-SQLBVSGCSA-N 2 2 218.304 0.670 20 0 BCADLP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000665283490 412229432 /nfs/dbraw/zinc/22/94/32/412229432.db2.gz OTHVHKQPKDQQPG-FRRDWIJNSA-N 3 2 243.395 0.716 20 0 BCADLP CC(C)[C@H](C(=O)N(C)Cc1c[nH+]c[nH]1)[C@@H](C)[NH3+] ZINC000662586173 412229740 /nfs/dbraw/zinc/22/97/40/412229740.db2.gz PZFSGAHTQUMVBI-KOLCDFICSA-N 2 2 238.335 0.988 20 0 BCADLP CC(C)[C@H](C(=O)N(C)Cc1c[nH]c[nH+]1)[C@@H](C)[NH3+] ZINC000662586173 412229742 /nfs/dbraw/zinc/22/97/42/412229742.db2.gz PZFSGAHTQUMVBI-KOLCDFICSA-N 2 2 238.335 0.988 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000662586732 412229757 /nfs/dbraw/zinc/22/97/57/412229757.db2.gz YGOZEMNDIYBLTE-RYUDHWBXSA-N 2 2 248.330 0.899 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000662586732 412229761 /nfs/dbraw/zinc/22/97/61/412229761.db2.gz YGOZEMNDIYBLTE-RYUDHWBXSA-N 2 2 248.330 0.899 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000665297350 412237490 /nfs/dbraw/zinc/23/74/90/412237490.db2.gz DNDXWWUBUUXOLN-ONGXEEELSA-N 2 2 222.336 0.995 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCc2c1cnn2C ZINC000665295437 412242603 /nfs/dbraw/zinc/24/26/03/412242603.db2.gz DOPZVNXQAFHVIP-MWLCHTKSSA-N 2 2 222.336 0.995 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000665296326 412243352 /nfs/dbraw/zinc/24/33/52/412243352.db2.gz QYCZSSPQHOLLDN-DCAQKATOSA-N 2 2 248.392 0.540 20 0 BCADLP C[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)S(C)(=O)=O ZINC000665299534 412247501 /nfs/dbraw/zinc/24/75/01/412247501.db2.gz OUDMPECMMUYSCS-BBBLOLIVSA-N 2 2 234.365 0.150 20 0 BCADLP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)S(C)(=O)=O ZINC000665298824 412247521 /nfs/dbraw/zinc/24/75/21/412247521.db2.gz AKFNECVBVYMVOB-BBBLOLIVSA-N 2 2 234.365 0.007 20 0 BCADLP CCn1nccc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000665299564 412248581 /nfs/dbraw/zinc/24/85/81/412248581.db2.gz PKZDBHGHYPOGNG-QWRGUYRKSA-N 2 2 208.309 0.872 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C1([NH3+])CCCC1 ZINC000662839156 412317030 /nfs/dbraw/zinc/31/70/30/412317030.db2.gz ORLCBTAQZGSGJO-UHFFFAOYSA-N 2 2 222.292 0.640 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C1([NH3+])CCCC1 ZINC000662839156 412317033 /nfs/dbraw/zinc/31/70/33/412317033.db2.gz ORLCBTAQZGSGJO-UHFFFAOYSA-N 2 2 222.292 0.640 20 0 BCADLP CN(CC(C)(C)[NH3+])C(=O)CCn1cc[nH+]c1 ZINC000662845333 412318972 /nfs/dbraw/zinc/31/89/72/412318972.db2.gz ODZBZHCERHTTPG-UHFFFAOYSA-N 2 2 224.308 0.469 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)C[C@@H](C)[NH3+] ZINC000662899595 412339782 /nfs/dbraw/zinc/33/97/82/412339782.db2.gz GGPOCCCQTFUZTE-RKDXNWHRSA-N 2 2 224.308 0.818 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)C(C)(C)[NH3+] ZINC000662899251 412340143 /nfs/dbraw/zinc/34/01/43/412340143.db2.gz FBIBTADFDZFELA-QMMMGPOBSA-N 2 2 224.308 0.818 20 0 BCADLP CC(C)[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000662917221 412344885 /nfs/dbraw/zinc/34/48/85/412344885.db2.gz LEQSTEWRDAATIK-VXGBXAGGSA-N 2 2 241.379 0.816 20 0 BCADLP C[C@H](NC(=O)C(C)(C)C[NH3+])c1[nH+]ccn1C ZINC000662932754 412348609 /nfs/dbraw/zinc/34/86/09/412348609.db2.gz FGKFGULYCOTRSJ-QMMMGPOBSA-N 2 2 224.308 0.582 20 0 BCADLP C[C@H](NC(=O)CC(C)(C)[NH3+])c1[nH+]ccn1C ZINC000662933687 412349135 /nfs/dbraw/zinc/34/91/35/412349135.db2.gz JWPSTIRWGDDTNF-QMMMGPOBSA-N 2 2 224.308 0.725 20 0 BCADLP C[NH2+]C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000662969900 412360700 /nfs/dbraw/zinc/36/07/00/412360700.db2.gz SGOAERFHDKUYHJ-VIFPVBQESA-N 2 2 246.314 0.980 20 0 BCADLP C[NH2+]C[C@H](C)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000420209997 412291981 /nfs/dbraw/zinc/29/19/81/412291981.db2.gz RXLSCKITLIESNG-QMMMGPOBSA-N 2 2 233.319 1.534 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662784829 412301416 /nfs/dbraw/zinc/30/14/16/412301416.db2.gz DHYIFEIDNKMOEU-KYZUINATSA-N 2 2 222.292 0.116 20 0 BCADLP CC[C@H]([NH2+]C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000662785788 412301924 /nfs/dbraw/zinc/30/19/24/412301924.db2.gz KPXNQCNNUUEMPM-VIFPVBQESA-N 2 2 224.308 0.377 20 0 BCADLP C[C@H](CC(=O)N[C@@]1(C)CC[NH2+]C1)n1cc[nH+]c1 ZINC000663014326 412370712 /nfs/dbraw/zinc/37/07/12/412370712.db2.gz KRTYFNUDDXWCGQ-PWSUYJOCSA-N 2 2 236.319 0.702 20 0 BCADLP CCc1nocc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000339319291 172102381 /nfs/dbraw/zinc/10/23/81/172102381.db2.gz GXLBAJVNQATEHN-LBPRGKRZSA-N 2 2 241.335 0.639 20 0 BCADLP CCn1cnnc1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000359943885 172236603 /nfs/dbraw/zinc/23/66/03/172236603.db2.gz RLPLBSQUSRBIHA-QWRGUYRKSA-N 2 2 237.351 0.728 20 0 BCADLP CCn1cnnc1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000359943885 172236606 /nfs/dbraw/zinc/23/66/06/172236606.db2.gz RLPLBSQUSRBIHA-QWRGUYRKSA-N 2 2 237.351 0.728 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267455527 172365511 /nfs/dbraw/zinc/36/55/11/172365511.db2.gz SVFPLRWOTUYUPV-SNVBAGLBSA-N 2 2 236.319 0.677 20 0 BCADLP CN(C)C(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267455527 172365512 /nfs/dbraw/zinc/36/55/12/172365512.db2.gz SVFPLRWOTUYUPV-SNVBAGLBSA-N 2 2 236.319 0.677 20 0 BCADLP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368651289 172394965 /nfs/dbraw/zinc/39/49/65/172394965.db2.gz UNBWYEWKRIFMKD-MRVPVSSYSA-N 2 2 249.305 0.440 20 0 BCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCNC(=O)CC1 ZINC000335698462 173005423 /nfs/dbraw/zinc/00/54/23/173005423.db2.gz QGNBBRNJFFCNTF-GFCCVEGCSA-N 2 2 239.363 0.683 20 0 BCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCNC(=O)CC1 ZINC000335698462 173005427 /nfs/dbraw/zinc/00/54/27/173005427.db2.gz QGNBBRNJFFCNTF-GFCCVEGCSA-N 2 2 239.363 0.683 20 0 BCADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCNC(=O)CC1 ZINC000335698462 173005429 /nfs/dbraw/zinc/00/54/29/173005429.db2.gz QGNBBRNJFFCNTF-GFCCVEGCSA-N 2 2 239.363 0.683 20 0 BCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCNC(=O)CC1 ZINC000335698462 173005431 /nfs/dbraw/zinc/00/54/31/173005431.db2.gz QGNBBRNJFFCNTF-GFCCVEGCSA-N 2 2 239.363 0.683 20 0 BCADLP C[N@@H+]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000336059595 173012873 /nfs/dbraw/zinc/01/28/73/173012873.db2.gz ONRDPNGQBSEWCN-SECBINFHSA-N 2 2 247.289 0.148 20 0 BCADLP C[N@H+]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000336059595 173012876 /nfs/dbraw/zinc/01/28/76/173012876.db2.gz ONRDPNGQBSEWCN-SECBINFHSA-N 2 2 247.289 0.148 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000336597447 173024751 /nfs/dbraw/zinc/02/47/51/173024751.db2.gz WIUYWVRSRLASSB-LLVKDONJSA-N 2 2 234.303 0.320 20 0 BCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000336597447 173024752 /nfs/dbraw/zinc/02/47/52/173024752.db2.gz WIUYWVRSRLASSB-LLVKDONJSA-N 2 2 234.303 0.320 20 0 BCADLP Cn1ncc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000377883973 173037293 /nfs/dbraw/zinc/03/72/93/173037293.db2.gz LWRIBVKRDHZMKJ-YPMHNXCESA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000377883973 173037294 /nfs/dbraw/zinc/03/72/94/173037294.db2.gz LWRIBVKRDHZMKJ-YPMHNXCESA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000377883973 173037297 /nfs/dbraw/zinc/03/72/97/173037297.db2.gz LWRIBVKRDHZMKJ-YPMHNXCESA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000377883973 173037299 /nfs/dbraw/zinc/03/72/99/173037299.db2.gz LWRIBVKRDHZMKJ-YPMHNXCESA-N 2 2 249.362 0.731 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000114338547 173049555 /nfs/dbraw/zinc/04/95/55/173049555.db2.gz PYRKLKLJCPVMOA-QMMMGPOBSA-N 2 2 208.265 0.120 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000114338547 173049557 /nfs/dbraw/zinc/04/95/57/173049557.db2.gz PYRKLKLJCPVMOA-QMMMGPOBSA-N 2 2 208.265 0.120 20 0 BCADLP C[NH+]1CCN(C(=O)C[NH2+]CC(C)(C)C)CC1 ZINC000040493866 173067366 /nfs/dbraw/zinc/06/73/66/173067366.db2.gz JBLHWEJEULOWGF-UHFFFAOYSA-N 2 2 227.352 0.396 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CCOC1(C)C ZINC000336896333 173074878 /nfs/dbraw/zinc/07/48/78/173074878.db2.gz NXYXZJCQJATXDS-NWDGAFQWSA-N 2 2 241.379 0.389 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CCOC1(C)C ZINC000336896333 173074880 /nfs/dbraw/zinc/07/48/80/173074880.db2.gz NXYXZJCQJATXDS-NWDGAFQWSA-N 2 2 241.379 0.389 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1CCSC1 ZINC000300232789 173076330 /nfs/dbraw/zinc/07/63/30/173076330.db2.gz NFOWFIYOKQJQNF-NEPJUHHUSA-N 2 2 243.420 0.575 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1CCSC1 ZINC000300232789 173076331 /nfs/dbraw/zinc/07/63/31/173076331.db2.gz NFOWFIYOKQJQNF-NEPJUHHUSA-N 2 2 243.420 0.575 20 0 BCADLP C[N@@H+]1CC[C@@H]([NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000042544665 173123396 /nfs/dbraw/zinc/12/33/96/173123396.db2.gz MFAMGMVTHSZYBC-GFCCVEGCSA-N 2 2 240.347 0.966 20 0 BCADLP C[N@H+]1CC[C@@H]([NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000042544665 173123399 /nfs/dbraw/zinc/12/33/99/173123399.db2.gz MFAMGMVTHSZYBC-GFCCVEGCSA-N 2 2 240.347 0.966 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000336469405 173133031 /nfs/dbraw/zinc/13/30/31/173133031.db2.gz BSXYGPXNGGMURR-YPMHNXCESA-N 2 2 234.347 0.946 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000336469405 173133033 /nfs/dbraw/zinc/13/30/33/173133033.db2.gz BSXYGPXNGGMURR-YPMHNXCESA-N 2 2 234.347 0.946 20 0 BCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccccc2F)C1 ZINC000358163080 173139552 /nfs/dbraw/zinc/13/95/52/173139552.db2.gz HVIYWCDYHDGCQK-CYBMUJFWSA-N 2 2 238.306 0.982 20 0 BCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccccc2F)C1 ZINC000358163080 173139554 /nfs/dbraw/zinc/13/95/54/173139554.db2.gz HVIYWCDYHDGCQK-CYBMUJFWSA-N 2 2 238.306 0.982 20 0 BCADLP C[N@@H+]1CC[C@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000282579860 173145904 /nfs/dbraw/zinc/14/59/04/173145904.db2.gz BEPQXYITEYEGNG-VMZHVLLKSA-N 2 2 234.303 0.491 20 0 BCADLP C[N@H+]1CC[C@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000282579860 173145910 /nfs/dbraw/zinc/14/59/10/173145910.db2.gz BEPQXYITEYEGNG-VMZHVLLKSA-N 2 2 234.303 0.491 20 0 BCADLP CN1CC[C@H]([N@H+](C)CC[C@@H]2CCC[NH+]2C)C1=O ZINC000336681356 173148941 /nfs/dbraw/zinc/14/89/41/173148941.db2.gz COFKZHIFLZTEGZ-RYUDHWBXSA-N 2 2 239.363 0.633 20 0 BCADLP CN1CC[C@H]([N@@H+](C)CC[C@@H]2CCC[NH+]2C)C1=O ZINC000336681356 173148942 /nfs/dbraw/zinc/14/89/42/173148942.db2.gz COFKZHIFLZTEGZ-RYUDHWBXSA-N 2 2 239.363 0.633 20 0 BCADLP CN1CC[C@H]([NH+](C)CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC000336681356 173148944 /nfs/dbraw/zinc/14/89/44/173148944.db2.gz COFKZHIFLZTEGZ-RYUDHWBXSA-N 2 2 239.363 0.633 20 0 BCADLP CN1CC[C@H]([NH+](C)CC[C@@H]2CCC[N@H+]2C)C1=O ZINC000336681356 173148945 /nfs/dbraw/zinc/14/89/45/173148945.db2.gz COFKZHIFLZTEGZ-RYUDHWBXSA-N 2 2 239.363 0.633 20 0 BCADLP CN1CC[C@H]([N@H+](C)CCn2cc[nH+]c2)C1=O ZINC000270894877 173149179 /nfs/dbraw/zinc/14/91/79/173149179.db2.gz PVQSDFDIBPKLFN-JTQLQIEISA-N 2 2 222.292 0.046 20 0 BCADLP CN1CC[C@H]([N@@H+](C)CCn2cc[nH+]c2)C1=O ZINC000270894877 173149180 /nfs/dbraw/zinc/14/91/80/173149180.db2.gz PVQSDFDIBPKLFN-JTQLQIEISA-N 2 2 222.292 0.046 20 0 BCADLP CN1CC[C@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000266908203 173150043 /nfs/dbraw/zinc/15/00/43/173150043.db2.gz IIEGBTXHXPFELP-MNOVXSKESA-N 2 2 248.330 0.820 20 0 BCADLP CN1CC[C@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000266908203 173150045 /nfs/dbraw/zinc/15/00/45/173150045.db2.gz IIEGBTXHXPFELP-MNOVXSKESA-N 2 2 248.330 0.820 20 0 BCADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CC(=O)N(C)C1 ZINC000273659422 173186865 /nfs/dbraw/zinc/18/68/65/173186865.db2.gz XUNKHNXORSRISB-NSHDSACASA-N 2 2 248.330 0.468 20 0 BCADLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccno3)C[C@@H]2C1 ZINC000365871018 173197028 /nfs/dbraw/zinc/19/70/28/173197028.db2.gz IHYGKSCNYCELJW-AOOOYVTPSA-N 2 2 207.277 0.668 20 0 BCADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccno3)C[C@@H]2C1 ZINC000365871018 173197031 /nfs/dbraw/zinc/19/70/31/173197031.db2.gz IHYGKSCNYCELJW-AOOOYVTPSA-N 2 2 207.277 0.668 20 0 BCADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccno3)C[C@@H]2C1 ZINC000365871018 173197034 /nfs/dbraw/zinc/19/70/34/173197034.db2.gz IHYGKSCNYCELJW-AOOOYVTPSA-N 2 2 207.277 0.668 20 0 BCADLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccno3)C[C@@H]2C1 ZINC000365871018 173197038 /nfs/dbraw/zinc/19/70/38/173197038.db2.gz IHYGKSCNYCELJW-AOOOYVTPSA-N 2 2 207.277 0.668 20 0 BCADLP CNC(=O)CCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000183061950 173238405 /nfs/dbraw/zinc/23/84/05/173238405.db2.gz RSJSVFKZAWEACD-UHFFFAOYSA-N 2 2 238.335 0.731 20 0 BCADLP CNC(=O)CCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000183061950 173238409 /nfs/dbraw/zinc/23/84/09/173238409.db2.gz RSJSVFKZAWEACD-UHFFFAOYSA-N 2 2 238.335 0.731 20 0 BCADLP CNC(=O)CC[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180030335 173250154 /nfs/dbraw/zinc/25/01/54/173250154.db2.gz KIYSGQOZHYSBOQ-UHFFFAOYSA-N 2 2 246.314 0.902 20 0 BCADLP CNC(=O)CC[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180030335 173250155 /nfs/dbraw/zinc/25/01/55/173250155.db2.gz KIYSGQOZHYSBOQ-UHFFFAOYSA-N 2 2 246.314 0.902 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000358219460 173280696 /nfs/dbraw/zinc/28/06/96/173280696.db2.gz GCCQHCVNQXQVGN-GFCCVEGCSA-N 2 2 239.363 0.753 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000358219460 173280697 /nfs/dbraw/zinc/28/06/97/173280697.db2.gz GCCQHCVNQXQVGN-GFCCVEGCSA-N 2 2 239.363 0.753 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000341985075 173282967 /nfs/dbraw/zinc/28/29/67/173282967.db2.gz ZRQIJBWIQICNDZ-SCVCMEIPSA-N 2 2 239.363 0.583 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000341985075 173282968 /nfs/dbraw/zinc/28/29/68/173282968.db2.gz ZRQIJBWIQICNDZ-SCVCMEIPSA-N 2 2 239.363 0.583 20 0 BCADLP CNC(=O)[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000179197115 173297973 /nfs/dbraw/zinc/29/79/73/173297973.db2.gz BWKIBOJERONGFL-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP CNC(=O)[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000179197115 173297974 /nfs/dbraw/zinc/29/79/74/173297974.db2.gz BWKIBOJERONGFL-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP CNC(=O)[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000183167002 173298706 /nfs/dbraw/zinc/29/87/06/173298706.db2.gz JXQKMPZXBGEBAO-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP CNC(=O)[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000183167002 173298707 /nfs/dbraw/zinc/29/87/07/173298707.db2.gz JXQKMPZXBGEBAO-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP CNC(=O)[C@H](C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000291628390 173302972 /nfs/dbraw/zinc/30/29/72/173302972.db2.gz AFTUKBINAQPVJD-VIFPVBQESA-N 2 2 232.287 0.558 20 0 BCADLP CNC(=O)[C@H]([NH2+]C1CC[NH+](C)CC1)C(C)C ZINC000336759134 173304998 /nfs/dbraw/zinc/30/49/98/173304998.db2.gz IRYLYSLAXCPMSH-LLVKDONJSA-N 2 2 227.352 0.441 20 0 BCADLP CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000330573857 173307657 /nfs/dbraw/zinc/30/76/57/173307657.db2.gz OBVLALIFULYBBI-QWRGUYRKSA-N 2 2 236.319 0.387 20 0 BCADLP CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000336752634 173307876 /nfs/dbraw/zinc/30/78/76/173307876.db2.gz DNQKKBFBGNZTOS-UWVGGRQHSA-N 2 2 222.292 0.414 20 0 BCADLP C[NH2+]C1CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000037536888 173324598 /nfs/dbraw/zinc/32/45/98/173324598.db2.gz PCILWMSGMCSOTC-SNVBAGLBSA-N 2 2 241.379 0.973 20 0 BCADLP C[NH2+]CCC(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000043603923 173341710 /nfs/dbraw/zinc/34/17/10/173341710.db2.gz UKBQYGIEMPITNY-UHFFFAOYSA-N 2 2 245.286 0.815 20 0 BCADLP C[NH2+]CCCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000237175351 173344625 /nfs/dbraw/zinc/34/46/25/173344625.db2.gz JAXLKZZGJQGASN-NSHDSACASA-N 2 2 238.335 0.635 20 0 BCADLP C[NH2+]CCC[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000336683234 173347441 /nfs/dbraw/zinc/34/74/41/173347441.db2.gz JQXKZMCQJBRUAA-QMMMGPOBSA-N 2 2 226.242 0.595 20 0 BCADLP C[NH2+]CCC[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000336683234 173347442 /nfs/dbraw/zinc/34/74/42/173347442.db2.gz JQXKZMCQJBRUAA-QMMMGPOBSA-N 2 2 226.242 0.595 20 0 BCADLP C[NH2+]CCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000178411770 173348735 /nfs/dbraw/zinc/34/87/35/173348735.db2.gz FLZUFSSAXDLLLB-UHFFFAOYSA-N 2 2 232.287 0.674 20 0 BCADLP C[NH2+]C[C@@H]1CCCN1CC[NH+]1CCOCC1 ZINC000042390399 173368712 /nfs/dbraw/zinc/36/87/12/173368712.db2.gz MIYMSEDFJZYPAR-LBPRGKRZSA-N 2 2 227.352 0.002 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C)C(C)C)C1 ZINC000221296458 173370096 /nfs/dbraw/zinc/37/00/96/173370096.db2.gz RQGXULMLOUEPOI-RYUDHWBXSA-N 2 2 241.379 0.688 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C)C(C)C)C1 ZINC000221296458 173370097 /nfs/dbraw/zinc/37/00/97/173370097.db2.gz RQGXULMLOUEPOI-RYUDHWBXSA-N 2 2 241.379 0.688 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCC(C)C)C1 ZINC000071147612 173381485 /nfs/dbraw/zinc/38/14/85/173381485.db2.gz ZBSHFPDTYPFPBK-NWDGAFQWSA-N 2 2 241.379 0.688 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(=O)NCC(C)C)C1 ZINC000071147612 173381486 /nfs/dbraw/zinc/38/14/86/173381486.db2.gz ZBSHFPDTYPFPBK-NWDGAFQWSA-N 2 2 241.379 0.688 20 0 BCADLP COCC1(O)CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000336712216 174111669 /nfs/dbraw/zinc/11/16/69/174111669.db2.gz RRERTOKGCLCEDA-UHFFFAOYSA-N 2 2 239.319 0.356 20 0 BCADLP COCCCC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000308586014 174201619 /nfs/dbraw/zinc/20/16/19/174201619.db2.gz IKEIELNFFCNEHD-WDEREUQCSA-N 2 2 200.326 0.953 20 0 BCADLP COCCCC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000308586014 174201622 /nfs/dbraw/zinc/20/16/22/174201622.db2.gz IKEIELNFFCNEHD-WDEREUQCSA-N 2 2 200.326 0.953 20 0 BCADLP COCCC[N@H+](C)CC[NH2+]CC1(C)COC1 ZINC000309635313 174216578 /nfs/dbraw/zinc/21/65/78/174216578.db2.gz JDTBAEJTAKLCFD-UHFFFAOYSA-N 2 2 230.352 0.581 20 0 BCADLP COCCC[N@H+](C)CCNCc1[nH]cc[nH+]1 ZINC000164772465 174217042 /nfs/dbraw/zinc/21/70/42/174217042.db2.gz CKCZUJLICUZMJU-UHFFFAOYSA-N 2 2 226.324 0.468 20 0 BCADLP COCCC[N@@H+](C)CCNCc1[nH]cc[nH+]1 ZINC000164772465 174217043 /nfs/dbraw/zinc/21/70/43/174217043.db2.gz CKCZUJLICUZMJU-UHFFFAOYSA-N 2 2 226.324 0.468 20 0 BCADLP COCCN(C)CC[NH2+]C1CC[NH+](C)CC1 ZINC000061374937 174278077 /nfs/dbraw/zinc/27/80/77/174278077.db2.gz AUTIMDKEYVIROI-UHFFFAOYSA-N 2 2 229.368 0.248 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@H]1CSC[C@H]1C ZINC000308952021 174279145 /nfs/dbraw/zinc/27/91/45/174279145.db2.gz HRCLQNCNUIDCSO-MNOVXSKESA-N 2 2 232.393 0.906 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@H]1CSC[C@H]1C ZINC000308952021 174279146 /nfs/dbraw/zinc/27/91/46/174279146.db2.gz HRCLQNCNUIDCSO-MNOVXSKESA-N 2 2 232.393 0.906 20 0 BCADLP COCC[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402153 174281019 /nfs/dbraw/zinc/28/10/19/174281019.db2.gz STZYEKIRXGYULL-UHFFFAOYSA-N 2 2 228.296 0.342 20 0 BCADLP COCC[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402153 174281021 /nfs/dbraw/zinc/28/10/21/174281021.db2.gz STZYEKIRXGYULL-UHFFFAOYSA-N 2 2 228.296 0.342 20 0 BCADLP COCCN(CC[NH+](C)C)Cc1[nH+]ccn1C ZINC000289409315 174292127 /nfs/dbraw/zinc/29/21/27/174292127.db2.gz HOMUHZOLVKTHIY-UHFFFAOYSA-N 2 2 240.351 0.430 20 0 BCADLP COCC[N@H+](CCO)Cc1cccc2[nH+]ccn21 ZINC000180025483 174294096 /nfs/dbraw/zinc/29/40/96/174294096.db2.gz ACIPFUGYZXLMTG-UHFFFAOYSA-N 2 2 249.314 0.775 20 0 BCADLP COCC[N@@H+](CCO)Cc1cccc2[nH+]ccn21 ZINC000180025483 174294097 /nfs/dbraw/zinc/29/40/97/174294097.db2.gz ACIPFUGYZXLMTG-UHFFFAOYSA-N 2 2 249.314 0.775 20 0 BCADLP COCC[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000373919034 174305276 /nfs/dbraw/zinc/30/52/76/174305276.db2.gz BBZHAERBAOECMP-LBPRGKRZSA-N 2 2 242.363 0.818 20 0 BCADLP COCC[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000373919034 174305277 /nfs/dbraw/zinc/30/52/77/174305277.db2.gz BBZHAERBAOECMP-LBPRGKRZSA-N 2 2 242.363 0.818 20 0 BCADLP COCC[NH+]1CCN(CCn2cc[nH+]c2)CC1 ZINC000122572160 174309807 /nfs/dbraw/zinc/30/98/07/174309807.db2.gz TUUWXUMNZIXEDN-UHFFFAOYSA-N 2 2 238.335 0.147 20 0 BCADLP COCC[NH2+]CC(=O)Nc1ccc(C)[nH+]c1C ZINC000094665915 174332038 /nfs/dbraw/zinc/33/20/38/174332038.db2.gz AWDXSBUTVOKHSV-UHFFFAOYSA-N 2 2 237.303 0.873 20 0 BCADLP COCCOCC[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000070531749 174353967 /nfs/dbraw/zinc/35/39/67/174353967.db2.gz ARMLCRUIXSAKGB-NWDGAFQWSA-N 2 2 230.352 0.851 20 0 BCADLP COCCOCC[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000070531749 174353968 /nfs/dbraw/zinc/35/39/68/174353968.db2.gz ARMLCRUIXSAKGB-NWDGAFQWSA-N 2 2 230.352 0.851 20 0 BCADLP COCCOCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000133264495 174354979 /nfs/dbraw/zinc/35/49/79/174354979.db2.gz KNRGLUMGURERPA-NEPJUHHUSA-N 2 2 228.336 0.476 20 0 BCADLP COCCOCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000133264495 174354981 /nfs/dbraw/zinc/35/49/81/174354981.db2.gz KNRGLUMGURERPA-NEPJUHHUSA-N 2 2 228.336 0.476 20 0 BCADLP COCCOCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000308915805 174359593 /nfs/dbraw/zinc/35/95/93/174359593.db2.gz FVGUWZHALHDHRX-QWRGUYRKSA-N 2 2 216.325 0.189 20 0 BCADLP COCCOCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000308915805 174359594 /nfs/dbraw/zinc/35/95/94/174359594.db2.gz FVGUWZHALHDHRX-QWRGUYRKSA-N 2 2 216.325 0.189 20 0 BCADLP COc1cc[nH+]cc1NC(=O)C(C)(C)[NH3+] ZINC000237112608 175375643 /nfs/dbraw/zinc/37/56/43/175375643.db2.gz IEOIETMXSLUFIK-UHFFFAOYSA-N 2 2 209.249 0.766 20 0 BCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCC[C@H]1O ZINC000333625915 175768094 /nfs/dbraw/zinc/76/80/94/175768094.db2.gz UZIULSMKUYUJCN-NNYUYHANSA-N 2 2 228.336 0.256 20 0 BCADLP C[C@@H]1C(=O)NCC[N@H+]1CCCn1cc[nH+]c1 ZINC000183171691 176046768 /nfs/dbraw/zinc/04/67/68/176046768.db2.gz MKXYHNAPWZUWQH-SNVBAGLBSA-N 2 2 222.292 0.094 20 0 BCADLP C[C@@H]1C(=O)NCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000183171691 176046770 /nfs/dbraw/zinc/04/67/70/176046770.db2.gz MKXYHNAPWZUWQH-SNVBAGLBSA-N 2 2 222.292 0.094 20 0 BCADLP C[C@@H]1CCC[N@H+](CCN2CCOCC2)[C@H]1C[NH3+] ZINC000251571180 176098453 /nfs/dbraw/zinc/09/84/53/176098453.db2.gz ARGUKTFCNCZSHI-OLZOCXBDSA-N 2 2 241.379 0.378 20 0 BCADLP C[C@@H]1CCC[N@@H+](CCN2CCOCC2)[C@H]1C[NH3+] ZINC000251571180 176098456 /nfs/dbraw/zinc/09/84/56/176098456.db2.gz ARGUKTFCNCZSHI-OLZOCXBDSA-N 2 2 241.379 0.378 20 0 BCADLP C[C@@H]1CCCN(CC[NH+]2CCOCC2)[C@H]1C[NH3+] ZINC000251571180 176098458 /nfs/dbraw/zinc/09/84/58/176098458.db2.gz ARGUKTFCNCZSHI-OLZOCXBDSA-N 2 2 241.379 0.378 20 0 BCADLP C[C@@H]1CC[N@H+](CC2(C[NH3+])CC2)C[C@H]1C[NH3+] ZINC000331366506 176168023 /nfs/dbraw/zinc/16/80/23/176168023.db2.gz DFKSQRLSPBOTJQ-GHMZBOCLSA-N 3 2 211.353 0.642 20 0 BCADLP C[C@@H]1CC[N@@H+](CC2(C[NH3+])CC2)C[C@H]1C[NH3+] ZINC000331366506 176168025 /nfs/dbraw/zinc/16/80/25/176168025.db2.gz DFKSQRLSPBOTJQ-GHMZBOCLSA-N 3 2 211.353 0.642 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCOCC(F)F ZINC000336752856 176271812 /nfs/dbraw/zinc/27/18/12/176271812.db2.gz HINZXOVAOLIGMZ-BDAKNGLRSA-N 2 2 222.279 0.808 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCOCC(F)F ZINC000336752856 176271814 /nfs/dbraw/zinc/27/18/14/176271814.db2.gz HINZXOVAOLIGMZ-BDAKNGLRSA-N 2 2 222.279 0.808 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1CCSCC1 ZINC000336780443 176272090 /nfs/dbraw/zinc/27/20/90/176272090.db2.gz RIMYUWBDOVHHKV-NEPJUHHUSA-N 2 2 243.420 0.575 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1CCSCC1 ZINC000336780443 176272091 /nfs/dbraw/zinc/27/20/91/176272091.db2.gz RIMYUWBDOVHHKV-NEPJUHHUSA-N 2 2 243.420 0.575 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000340419545 176273385 /nfs/dbraw/zinc/27/33/85/176273385.db2.gz KAINLBGUAWVSGE-WYUUTHIRSA-N 2 2 228.336 0.066 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000340419545 176273386 /nfs/dbraw/zinc/27/33/86/176273386.db2.gz KAINLBGUAWVSGE-WYUUTHIRSA-N 2 2 228.336 0.066 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000348163547 176274918 /nfs/dbraw/zinc/27/49/18/176274918.db2.gz VRHQVFFBEIOEGQ-KXNHARMFSA-N 2 2 210.321 0.463 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000348163547 176274919 /nfs/dbraw/zinc/27/49/19/176274919.db2.gz VRHQVFFBEIOEGQ-KXNHARMFSA-N 2 2 210.321 0.463 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@](C)(O)C1CC1 ZINC000336764635 176275164 /nfs/dbraw/zinc/27/51/64/176275164.db2.gz QICWIBUPLXUYNM-USWWRNFRSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@](C)(O)C1CC1 ZINC000336764635 176275165 /nfs/dbraw/zinc/27/51/65/176275165.db2.gz QICWIBUPLXUYNM-USWWRNFRSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000358085078 176276566 /nfs/dbraw/zinc/27/65/66/176276566.db2.gz MCIHZZCYJNAVJN-ZWNOBZJWSA-N 2 2 247.342 0.825 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000358085078 176276568 /nfs/dbraw/zinc/27/65/68/176276568.db2.gz MCIHZZCYJNAVJN-ZWNOBZJWSA-N 2 2 247.342 0.825 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000358078408 176276767 /nfs/dbraw/zinc/27/67/67/176276767.db2.gz BVJMOXXGGHVDBP-ZWNOBZJWSA-N 2 2 247.342 0.825 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000358078408 176276769 /nfs/dbraw/zinc/27/67/69/176276769.db2.gz BVJMOXXGGHVDBP-ZWNOBZJWSA-N 2 2 247.342 0.825 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H](O)C1CCOCC1 ZINC000358164551 176276950 /nfs/dbraw/zinc/27/69/50/176276950.db2.gz ZCYIYRJMURZQQB-RAIGVLPGSA-N 2 2 242.363 0.314 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H](O)C1CCOCC1 ZINC000358164551 176276951 /nfs/dbraw/zinc/27/69/51/176276951.db2.gz ZCYIYRJMURZQQB-RAIGVLPGSA-N 2 2 242.363 0.314 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1NCC[NH+]1CCCC1 ZINC000336750117 176276971 /nfs/dbraw/zinc/27/69/71/176276971.db2.gz FOSAQYNGIKIKBV-VXGBXAGGSA-N 2 2 211.353 0.622 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1NCC[NH+]1CCCC1 ZINC000336750117 176276972 /nfs/dbraw/zinc/27/69/72/176276972.db2.gz FOSAQYNGIKIKBV-VXGBXAGGSA-N 2 2 211.353 0.622 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1nncn1C ZINC000038007809 176278266 /nfs/dbraw/zinc/27/82/66/176278266.db2.gz WDKAFJDLGVGCEK-MXWKQRLJSA-N 2 2 237.351 0.633 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1nncn1C ZINC000038007809 176278267 /nfs/dbraw/zinc/27/82/67/176278267.db2.gz WDKAFJDLGVGCEK-MXWKQRLJSA-N 2 2 237.351 0.633 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(O)CCC1 ZINC000309815241 176281632 /nfs/dbraw/zinc/28/16/32/176281632.db2.gz VDHAIPNPUBGZGL-ZYHUDNBSSA-N 2 2 224.348 0.974 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(O)CCC1 ZINC000309815241 176281633 /nfs/dbraw/zinc/28/16/33/176281633.db2.gz VDHAIPNPUBGZGL-ZYHUDNBSSA-N 2 2 224.348 0.974 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@]1(O)CCOC1 ZINC000340042477 176282237 /nfs/dbraw/zinc/28/22/37/176282237.db2.gz DXPDIAYQKYVKDB-RAIGVLPGSA-N 2 2 240.347 0.210 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@]1(O)CCOC1 ZINC000340042477 176282238 /nfs/dbraw/zinc/28/22/38/176282238.db2.gz DXPDIAYQKYVKDB-RAIGVLPGSA-N 2 2 240.347 0.210 20 0 BCADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H]1C ZINC000336550887 176283486 /nfs/dbraw/zinc/28/34/86/176283486.db2.gz WOXVYBOVQGLZBX-GHMZBOCLSA-N 2 2 225.336 0.101 20 0 BCADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H]1C ZINC000336550887 176283487 /nfs/dbraw/zinc/28/34/87/176283487.db2.gz WOXVYBOVQGLZBX-GHMZBOCLSA-N 2 2 225.336 0.101 20 0 BCADLP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@@H]1CO ZINC000362078199 176290318 /nfs/dbraw/zinc/29/03/18/176290318.db2.gz PWKNSFKPLTZCKM-VXGBXAGGSA-N 2 2 223.320 0.833 20 0 BCADLP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@@H]1CO ZINC000362078199 176290319 /nfs/dbraw/zinc/29/03/19/176290319.db2.gz PWKNSFKPLTZCKM-VXGBXAGGSA-N 2 2 223.320 0.833 20 0 BCADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@H]1CO ZINC000190864202 176296075 /nfs/dbraw/zinc/29/60/75/176296075.db2.gz SIXJKWVKOIAUTO-MNOVXSKESA-N 2 2 209.293 0.443 20 0 BCADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@H]1CO ZINC000190864202 176296076 /nfs/dbraw/zinc/29/60/76/176296076.db2.gz SIXJKWVKOIAUTO-MNOVXSKESA-N 2 2 209.293 0.443 20 0 BCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC[C@H]1O ZINC000310123351 176299335 /nfs/dbraw/zinc/29/93/35/176299335.db2.gz VSTBHJNAYLNRNN-RAIGVLPGSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC[C@H]1O ZINC000310123351 176299337 /nfs/dbraw/zinc/29/93/37/176299337.db2.gz VSTBHJNAYLNRNN-RAIGVLPGSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC[C@H]1O ZINC000310123351 176299339 /nfs/dbraw/zinc/29/93/39/176299339.db2.gz VSTBHJNAYLNRNN-RAIGVLPGSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC[C@H]1O ZINC000310123351 176299341 /nfs/dbraw/zinc/29/93/41/176299341.db2.gz VSTBHJNAYLNRNN-RAIGVLPGSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000334156192 176326494 /nfs/dbraw/zinc/32/64/94/176326494.db2.gz XRNQTIZRZRDEGI-RKDXNWHRSA-N 2 2 247.289 0.052 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC2([S@](C)=O)CC2)CC[N@@H+]1C ZINC000336737482 176374708 /nfs/dbraw/zinc/37/47/08/176374708.db2.gz JLDLVBBJMOMMKZ-GDLVEWKHSA-N 2 2 244.404 0.970 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC2([S@](C)=O)CC2)CC[N@H+]1C ZINC000336737482 176374710 /nfs/dbraw/zinc/37/47/10/176374710.db2.gz JLDLVBBJMOMMKZ-GDLVEWKHSA-N 2 2 244.404 0.970 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCN2CCC2)C[N@@H+]1C1CC1 ZINC000336780590 176375564 /nfs/dbraw/zinc/37/55/64/176375564.db2.gz RSUALTQTBYHEHT-VXGBXAGGSA-N 2 2 223.364 0.907 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCN2CCC2)C[N@H+]1C1CC1 ZINC000336780590 176375566 /nfs/dbraw/zinc/37/55/66/176375566.db2.gz RSUALTQTBYHEHT-VXGBXAGGSA-N 2 2 223.364 0.907 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000308830121 176610602 /nfs/dbraw/zinc/61/06/02/176610602.db2.gz FXAJBAFMQJQIDP-RKDXNWHRSA-N 2 2 210.281 0.125 20 0 BCADLP C[C@H](O)C[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336671073 177001353 /nfs/dbraw/zinc/00/13/53/177001353.db2.gz YYOAZBLPUXSUHA-RCWTZXSCSA-N 2 2 200.326 0.686 20 0 BCADLP C[C@H](O)C[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336671073 177001354 /nfs/dbraw/zinc/00/13/54/177001354.db2.gz YYOAZBLPUXSUHA-RCWTZXSCSA-N 2 2 200.326 0.686 20 0 BCADLP C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1c[nH+]cn1C ZINC000309739136 177174150 /nfs/dbraw/zinc/17/41/50/177174150.db2.gz CYIIXZYGPRQWNY-WPRPVWTQSA-N 2 2 222.292 0.034 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000362569023 177235677 /nfs/dbraw/zinc/23/56/77/177235677.db2.gz MNOJWLXFLNRJHB-QWRGUYRKSA-N 2 2 236.319 0.197 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000362569023 177235678 /nfs/dbraw/zinc/23/56/78/177235678.db2.gz MNOJWLXFLNRJHB-QWRGUYRKSA-N 2 2 236.319 0.197 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCn1ccnn1 ZINC000309738223 177236147 /nfs/dbraw/zinc/23/61/47/177236147.db2.gz CUDMDGVHCNOKKA-QWRGUYRKSA-N 2 2 223.324 0.208 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCn1ccnn1 ZINC000309738223 177236148 /nfs/dbraw/zinc/23/61/48/177236148.db2.gz CUDMDGVHCNOKKA-QWRGUYRKSA-N 2 2 223.324 0.208 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000362819321 177237247 /nfs/dbraw/zinc/23/72/47/177237247.db2.gz FCQMIROKNZNRCY-WCBMZHEXSA-N 2 2 222.292 0.224 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000362819321 177237248 /nfs/dbraw/zinc/23/72/48/177237248.db2.gz FCQMIROKNZNRCY-WCBMZHEXSA-N 2 2 222.292 0.224 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000362819321 177237249 /nfs/dbraw/zinc/23/72/49/177237249.db2.gz FCQMIROKNZNRCY-WCBMZHEXSA-N 2 2 222.292 0.224 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000362819321 177237250 /nfs/dbraw/zinc/23/72/50/177237250.db2.gz FCQMIROKNZNRCY-WCBMZHEXSA-N 2 2 222.292 0.224 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CCOCC1 ZINC000335605715 177237365 /nfs/dbraw/zinc/23/73/65/177237365.db2.gz FEVJBOVTMMQSLK-CMPLNLGQSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CCOCC1 ZINC000335605715 177237366 /nfs/dbraw/zinc/23/73/66/177237366.db2.gz FEVJBOVTMMQSLK-CMPLNLGQSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1CCSCC1 ZINC000336780444 177237912 /nfs/dbraw/zinc/23/79/12/177237912.db2.gz RIMYUWBDOVHHKV-NWDGAFQWSA-N 2 2 243.420 0.575 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1CCSCC1 ZINC000336780444 177237914 /nfs/dbraw/zinc/23/79/14/177237914.db2.gz RIMYUWBDOVHHKV-NWDGAFQWSA-N 2 2 243.420 0.575 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCC(C)(C)O ZINC000336656055 177237942 /nfs/dbraw/zinc/23/79/42/177237942.db2.gz OFMXASAWYZIXCT-VHSXEESVSA-N 2 2 200.326 0.687 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC(C)(C)O ZINC000336656055 177237943 /nfs/dbraw/zinc/23/79/43/177237943.db2.gz OFMXASAWYZIXCT-VHSXEESVSA-N 2 2 200.326 0.687 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000358078400 177238859 /nfs/dbraw/zinc/23/88/59/177238859.db2.gz BVJMOXXGGHVDBP-GXFFZTMASA-N 2 2 247.342 0.825 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000358078400 177238860 /nfs/dbraw/zinc/23/88/60/177238860.db2.gz BVJMOXXGGHVDBP-GXFFZTMASA-N 2 2 247.342 0.825 20 0 BCADLP C[C@H]1C[N@H+](CCCn2cc[nH+]c2)CC(=O)N1C ZINC000281993154 177250860 /nfs/dbraw/zinc/25/08/60/177250860.db2.gz CNRDDQQALVXVJI-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CC(=O)N1C ZINC000281993154 177250863 /nfs/dbraw/zinc/25/08/63/177250863.db2.gz CNRDDQQALVXVJI-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP C[C@H]1CN(CC[NH+]2CCOCC2)C[C@H](C)[NH+]1C ZINC000336888926 177251042 /nfs/dbraw/zinc/25/10/42/177251042.db2.gz KYHWVXVYSUZIHH-STQMWFEESA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1C[N@H+](C)CCN1CC[NH+]1CCOC[C@@H]1C ZINC000337191382 177291047 /nfs/dbraw/zinc/29/10/47/177291047.db2.gz SKYGEPDUFOYWKQ-OLZOCXBDSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1C[N@@H+](C)CCN1CC[NH+]1CCOC[C@@H]1C ZINC000337191382 177291049 /nfs/dbraw/zinc/29/10/49/177291049.db2.gz SKYGEPDUFOYWKQ-OLZOCXBDSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1C[NH+](C)CCN1CC[N@@H+]1CCOC[C@@H]1C ZINC000337191382 177291051 /nfs/dbraw/zinc/29/10/51/177291051.db2.gz SKYGEPDUFOYWKQ-OLZOCXBDSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1C[NH+](C)CCN1CC[N@H+]1CCOC[C@@H]1C ZINC000337191382 177291053 /nfs/dbraw/zinc/29/10/53/177291053.db2.gz SKYGEPDUFOYWKQ-OLZOCXBDSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C)C)CC[N@@H+]1C ZINC000123806743 177327409 /nfs/dbraw/zinc/32/74/09/177327409.db2.gz CGZBCGRWAUWMHP-QWRGUYRKSA-N 2 2 227.352 0.489 20 0 BCADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C)C)CC[N@H+]1C ZINC000123806743 177327410 /nfs/dbraw/zinc/32/74/10/177327410.db2.gz CGZBCGRWAUWMHP-QWRGUYRKSA-N 2 2 227.352 0.489 20 0 BCADLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)N(C)C)CC[NH+]1C ZINC000123806743 177327411 /nfs/dbraw/zinc/32/74/11/177327411.db2.gz CGZBCGRWAUWMHP-QWRGUYRKSA-N 2 2 227.352 0.489 20 0 BCADLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)C)CC[NH+]1C ZINC000123806743 177327412 /nfs/dbraw/zinc/32/74/12/177327412.db2.gz CGZBCGRWAUWMHP-QWRGUYRKSA-N 2 2 227.352 0.489 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CC(=O)NCC2CC2)CC[N@@H+]1C ZINC000128132131 177368730 /nfs/dbraw/zinc/36/87/30/177368730.db2.gz ZJVNVYYLFNXIKQ-CMPLNLGQSA-N 2 2 239.363 0.585 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CC(=O)NCC2CC2)CC[N@H+]1C ZINC000128132131 177368732 /nfs/dbraw/zinc/36/87/32/177368732.db2.gz ZJVNVYYLFNXIKQ-CMPLNLGQSA-N 2 2 239.363 0.585 20 0 BCADLP C[C@H](CCO)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000127212467 177371656 /nfs/dbraw/zinc/37/16/56/177371656.db2.gz HEMLMDNVSACFGD-VWYCJHECSA-N 2 2 212.337 0.972 20 0 BCADLP C[C@H](CCO)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000127212467 177371658 /nfs/dbraw/zinc/37/16/58/177371658.db2.gz HEMLMDNVSACFGD-VWYCJHECSA-N 2 2 212.337 0.972 20 0 BCADLP C[C@H]1[NH2+]CCN(C(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC000277466190 177396808 /nfs/dbraw/zinc/39/68/08/177396808.db2.gz JGWFZHJFHSVNOR-GHMZBOCLSA-N 2 2 236.319 0.482 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC000328282986 487643891 /nfs/dbraw/zinc/64/38/91/487643891.db2.gz SJVAICMXYAJLIW-WDEREUQCSA-N 2 2 216.325 0.068 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC000328282986 487643894 /nfs/dbraw/zinc/64/38/94/487643894.db2.gz SJVAICMXYAJLIW-WDEREUQCSA-N 2 2 216.325 0.068 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000226022150 487645384 /nfs/dbraw/zinc/64/53/84/487645384.db2.gz PUKRODVNGULJCU-GHMZBOCLSA-N 2 2 225.336 0.339 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000226022150 487645388 /nfs/dbraw/zinc/64/53/88/487645388.db2.gz PUKRODVNGULJCU-GHMZBOCLSA-N 2 2 225.336 0.339 20 0 BCADLP C[C@H]1C[N@H+](C)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493213289 226156152 /nfs/dbraw/zinc/15/61/52/226156152.db2.gz DFYXGGBVGHOBRO-FSIBCCDJSA-N 2 2 234.303 0.585 20 0 BCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493213289 226156155 /nfs/dbraw/zinc/15/61/55/226156155.db2.gz DFYXGGBVGHOBRO-FSIBCCDJSA-N 2 2 234.303 0.585 20 0 BCADLP C[NH+](C)C/C=C/C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000493664314 226248173 /nfs/dbraw/zinc/24/81/73/226248173.db2.gz ZNSPXLJYYAMYDQ-AATRIKPKSA-N 2 2 236.319 0.879 20 0 BCADLP CN(CCC[NH+](C)C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493700125 226250046 /nfs/dbraw/zinc/25/00/46/226250046.db2.gz ZQDIOFZHCMEASN-AATRIKPKSA-N 2 2 236.319 0.833 20 0 BCADLP Cn1nccc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494416782 226264966 /nfs/dbraw/zinc/26/49/66/226264966.db2.gz VIDCRMAJHARLTD-SNVBAGLBSA-N 2 2 231.303 0.721 20 0 BCADLP COCC(COC)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400457200 226344086 /nfs/dbraw/zinc/34/40/86/226344086.db2.gz QEXGSJQUBJGDKU-KOLCDFICSA-N 2 2 216.325 0.378 20 0 BCADLP C[C@@]1(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)CC[NH2+]C1 ZINC000496048521 226295467 /nfs/dbraw/zinc/29/54/67/226295467.db2.gz HTMKTGJDDZMVTN-ZYHUDNBSSA-N 2 2 239.319 0.122 20 0 BCADLP C[C@@]1(C[N@H+]2CCN3C(=O)OC[C@H]3C2)CC[NH2+]C1 ZINC000496048521 226295468 /nfs/dbraw/zinc/29/54/68/226295468.db2.gz HTMKTGJDDZMVTN-ZYHUDNBSSA-N 2 2 239.319 0.122 20 0 BCADLP C[NH2+][C@@H](C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000655472204 487671078 /nfs/dbraw/zinc/67/10/78/487671078.db2.gz BJUBXHGFTHNSKN-JTQLQIEISA-N 2 2 224.308 0.340 20 0 BCADLP CCCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000087613625 487671842 /nfs/dbraw/zinc/67/18/42/487671842.db2.gz FUUVNPOMCKVLSF-SNVBAGLBSA-N 2 2 228.340 0.071 20 0 BCADLP CCCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000087613625 487671849 /nfs/dbraw/zinc/67/18/49/487671849.db2.gz FUUVNPOMCKVLSF-SNVBAGLBSA-N 2 2 228.340 0.071 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)N(C)C)C1 ZINC000328398651 487674934 /nfs/dbraw/zinc/67/49/34/487674934.db2.gz ZMTGAUOKWWOOTE-VXGBXAGGSA-N 2 2 241.379 0.927 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)N(C)C)C1 ZINC000328398651 487674939 /nfs/dbraw/zinc/67/49/39/487674939.db2.gz ZMTGAUOKWWOOTE-VXGBXAGGSA-N 2 2 241.379 0.927 20 0 BCADLP C[C@@H](N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)C1(C)CC1 ZINC000653103564 487678659 /nfs/dbraw/zinc/67/86/59/487678659.db2.gz MADGLPPHFNHJHA-GHMZBOCLSA-N 2 2 241.379 0.912 20 0 BCADLP CC(C)[C@H]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653103863 487679177 /nfs/dbraw/zinc/67/91/77/487679177.db2.gz VMTFCEZOUQPQMN-NWDGAFQWSA-N 2 2 241.379 0.770 20 0 BCADLP Cn1nncc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000394877445 487694068 /nfs/dbraw/zinc/69/40/68/487694068.db2.gz PLKCBAVPAQVUPU-YPMHNXCESA-N 2 2 249.362 0.779 20 0 BCADLP Cn1nncc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000394877445 487694071 /nfs/dbraw/zinc/69/40/71/487694071.db2.gz PLKCBAVPAQVUPU-YPMHNXCESA-N 2 2 249.362 0.779 20 0 BCADLP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000043802630 487698680 /nfs/dbraw/zinc/69/86/80/487698680.db2.gz YNTOVGVBAIDEBJ-TUAOUCFPSA-N 2 2 228.336 0.474 20 0 BCADLP CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000043802630 487698686 /nfs/dbraw/zinc/69/86/86/487698686.db2.gz YNTOVGVBAIDEBJ-TUAOUCFPSA-N 2 2 228.336 0.474 20 0 BCADLP C[NH+](C)C1(C[NH2+][C@H]2CCCNC(=O)C2)CCC1 ZINC000097929755 487706242 /nfs/dbraw/zinc/70/62/42/487706242.db2.gz RFVLXTNOPIVQSP-NSHDSACASA-N 2 2 239.363 0.729 20 0 BCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CC2(C)C)[C@H](C[NH3+])C1 ZINC000669403669 487709267 /nfs/dbraw/zinc/70/92/67/487709267.db2.gz YUWVEBPWCUKELA-ZJUUUORDSA-N 2 2 240.351 0.069 20 0 BCADLP C[N@H+]1CCN(C(=O)N[C@H]2CC2(C)C)[C@H](C[NH3+])C1 ZINC000669403669 487709271 /nfs/dbraw/zinc/70/92/71/487709271.db2.gz YUWVEBPWCUKELA-ZJUUUORDSA-N 2 2 240.351 0.069 20 0 BCADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000082667504 487714073 /nfs/dbraw/zinc/71/40/73/487714073.db2.gz VEWPWUSOFOBXPM-SNVBAGLBSA-N 2 2 227.352 0.585 20 0 BCADLP CC(C)[C@H]([NH3+])CC[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903932514 584825039 /nfs/dbraw/zinc/82/50/39/584825039.db2.gz DCCYWMJTGXLMLW-RKDXNWHRSA-N 3 2 223.311 0.932 20 0 BCADLP CCN(CCO)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000681108860 487728111 /nfs/dbraw/zinc/72/81/11/487728111.db2.gz NHUZSIYEBQYOEM-CHWSQXEVSA-N 2 2 243.395 0.373 20 0 BCADLP CCN(CCO)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000681108860 487728118 /nfs/dbraw/zinc/72/81/18/487728118.db2.gz NHUZSIYEBQYOEM-CHWSQXEVSA-N 2 2 243.395 0.373 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@]12C[C@H]1CCC2 ZINC000662847837 487734917 /nfs/dbraw/zinc/73/49/17/487734917.db2.gz NDXVVZBPILZGNX-JFGNBEQYSA-N 2 2 225.336 0.324 20 0 BCADLP CCn1ncnc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000088595142 487737612 /nfs/dbraw/zinc/73/76/12/487737612.db2.gz QOXJQRQVUNFTBO-UHFFFAOYSA-N 2 2 237.351 0.859 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000675783909 487778611 /nfs/dbraw/zinc/77/86/11/487778611.db2.gz CZAWTVJHTJWODL-QWRGUYRKSA-N 2 2 235.335 0.493 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000675783909 487778615 /nfs/dbraw/zinc/77/86/15/487778615.db2.gz CZAWTVJHTJWODL-QWRGUYRKSA-N 2 2 235.335 0.493 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000675783905 487778468 /nfs/dbraw/zinc/77/84/68/487778468.db2.gz CZAWTVJHTJWODL-GHMZBOCLSA-N 2 2 235.335 0.493 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000675783905 487778472 /nfs/dbraw/zinc/77/84/72/487778472.db2.gz CZAWTVJHTJWODL-GHMZBOCLSA-N 2 2 235.335 0.493 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCOC1 ZINC000309219986 487780677 /nfs/dbraw/zinc/78/06/77/487780677.db2.gz GKRGUONRNCOCCT-RYUDHWBXSA-N 2 2 230.352 0.408 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCOC1 ZINC000309219986 487780683 /nfs/dbraw/zinc/78/06/83/487780683.db2.gz GKRGUONRNCOCCT-RYUDHWBXSA-N 2 2 230.352 0.408 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCOC1 ZINC000309219986 487780688 /nfs/dbraw/zinc/78/06/88/487780688.db2.gz GKRGUONRNCOCCT-RYUDHWBXSA-N 2 2 230.352 0.408 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCOC1 ZINC000309219986 487780693 /nfs/dbraw/zinc/78/06/93/487780693.db2.gz GKRGUONRNCOCCT-RYUDHWBXSA-N 2 2 230.352 0.408 20 0 BCADLP CC[C@H]1C[N@H+](CC(=O)NCC2CC2)CC[C@H]1[NH3+] ZINC000251812023 487799728 /nfs/dbraw/zinc/79/97/28/487799728.db2.gz OQYDMFKTLGVYSH-NWDGAFQWSA-N 2 2 239.363 0.572 20 0 BCADLP CC[C@H]1C[N@@H+](CC(=O)NCC2CC2)CC[C@H]1[NH3+] ZINC000251812023 487799729 /nfs/dbraw/zinc/79/97/29/487799729.db2.gz OQYDMFKTLGVYSH-NWDGAFQWSA-N 2 2 239.363 0.572 20 0 BCADLP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000251922062 487807900 /nfs/dbraw/zinc/80/79/00/487807900.db2.gz YNTOVGVBAIDEBJ-QJPTWQEYSA-N 2 2 228.336 0.474 20 0 BCADLP CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000251922062 487807904 /nfs/dbraw/zinc/80/79/04/487807904.db2.gz YNTOVGVBAIDEBJ-QJPTWQEYSA-N 2 2 228.336 0.474 20 0 BCADLP Cc1ccncc1N1CC[NH+](CCC[NH3+])CC1 ZINC000414752693 487821876 /nfs/dbraw/zinc/82/18/76/487821876.db2.gz LCABZKVGVQWRBJ-UHFFFAOYSA-N 2 2 234.347 0.861 20 0 BCADLP C[NH2+][C@@H]1CCC[N@H+](C[C@@H](COC)OC)C1 ZINC000234432820 487826569 /nfs/dbraw/zinc/82/65/69/487826569.db2.gz CEESVVWUUPBLSY-MNOVXSKESA-N 2 2 216.325 0.332 20 0 BCADLP C[NH2+][C@@H]1CCC[N@@H+](C[C@@H](COC)OC)C1 ZINC000234432820 487826571 /nfs/dbraw/zinc/82/65/71/487826571.db2.gz CEESVVWUUPBLSY-MNOVXSKESA-N 2 2 216.325 0.332 20 0 BCADLP O=C1NCC[C@@H]1[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676240281 487828810 /nfs/dbraw/zinc/82/88/10/487828810.db2.gz KYMGYKQEYIMZPC-MNOVXSKESA-N 2 2 234.303 0.409 20 0 BCADLP O=C1NCC[C@@H]1[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676240281 487828816 /nfs/dbraw/zinc/82/88/16/487828816.db2.gz KYMGYKQEYIMZPC-MNOVXSKESA-N 2 2 234.303 0.409 20 0 BCADLP COC1(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CCOCC1 ZINC000676571904 487875049 /nfs/dbraw/zinc/87/50/49/487875049.db2.gz XWAHKDZPOMVNHG-RYUDHWBXSA-N 2 2 242.363 0.722 20 0 BCADLP COC1(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CCOCC1 ZINC000676571904 487875057 /nfs/dbraw/zinc/87/50/57/487875057.db2.gz XWAHKDZPOMVNHG-RYUDHWBXSA-N 2 2 242.363 0.722 20 0 BCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770225 487877636 /nfs/dbraw/zinc/87/76/36/487877636.db2.gz PSWVEQZMXDWGOR-MNOVXSKESA-N 2 2 248.392 0.541 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000663238752 487879284 /nfs/dbraw/zinc/87/92/84/487879284.db2.gz CUPPDQHGMVVWRX-JGVFFNPUSA-N 2 2 237.307 0.620 20 0 BCADLP COc1c(N)nc[nH+]c1N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000663238752 487879291 /nfs/dbraw/zinc/87/92/91/487879291.db2.gz CUPPDQHGMVVWRX-JGVFFNPUSA-N 2 2 237.307 0.620 20 0 BCADLP COC[C@H](C)C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666947574 487889710 /nfs/dbraw/zinc/88/97/10/487889710.db2.gz BJOOHZFNQLEHLD-UTLUCORTSA-N 2 2 204.289 0.559 20 0 BCADLP Cc1[nH+]cc(CN(C)CC2C[NH+](C)C2)n1C ZINC000668539426 487904995 /nfs/dbraw/zinc/90/49/95/487904995.db2.gz VRTUIQFMEMBOAR-UHFFFAOYSA-N 2 2 222.336 0.722 20 0 BCADLP C[N@H+](CC[C@H]1CCOC1)CC1C[NH+](C)C1 ZINC000668539775 487905620 /nfs/dbraw/zinc/90/56/20/487905620.db2.gz LVCWVKOODCAARQ-NSHDSACASA-N 2 2 212.337 0.906 20 0 BCADLP C[N@@H+](CC[C@H]1CCOC1)CC1C[NH+](C)C1 ZINC000668539775 487905623 /nfs/dbraw/zinc/90/56/23/487905623.db2.gz LVCWVKOODCAARQ-NSHDSACASA-N 2 2 212.337 0.906 20 0 BCADLP CN(C)c1ncc(C[N@H+](C)CC2C[NH+](C)C2)cn1 ZINC000668540161 487906684 /nfs/dbraw/zinc/90/66/84/487906684.db2.gz YFXUKSWEXZMEOF-UHFFFAOYSA-N 2 2 249.362 0.536 20 0 BCADLP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666945538 487909774 /nfs/dbraw/zinc/90/97/74/487909774.db2.gz WJSWHQYSQBMLPV-QWRGUYRKSA-N 2 2 240.326 0.827 20 0 BCADLP CCOC[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946910 487911261 /nfs/dbraw/zinc/91/12/61/487911261.db2.gz SRLFGECWGQZNCL-GUBZILKMSA-N 2 2 204.289 0.701 20 0 BCADLP [NH3+]CC1CCC([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000666948238 487912376 /nfs/dbraw/zinc/91/23/76/487912376.db2.gz YDNTXCHPHVFCJY-ADPBJBESSA-N 3 2 229.343 0.794 20 0 BCADLP CC[NH2+]Cc1cn(CCCn2cc[nH+]c2)nn1 ZINC000090295983 487927924 /nfs/dbraw/zinc/92/79/24/487927924.db2.gz KWBGLJRGCORIQL-UHFFFAOYSA-N 2 2 234.307 0.674 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661704432 487948651 /nfs/dbraw/zinc/94/86/51/487948651.db2.gz PJYRHFWYXMVMLU-DGCLKSJQSA-N 2 2 235.331 0.931 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661704432 487948654 /nfs/dbraw/zinc/94/86/54/487948654.db2.gz PJYRHFWYXMVMLU-DGCLKSJQSA-N 2 2 235.331 0.931 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661704431 487948560 /nfs/dbraw/zinc/94/85/60/487948560.db2.gz PJYRHFWYXMVMLU-AAEUAGOBSA-N 2 2 235.331 0.931 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661704431 487948565 /nfs/dbraw/zinc/94/85/65/487948565.db2.gz PJYRHFWYXMVMLU-AAEUAGOBSA-N 2 2 235.331 0.931 20 0 BCADLP Cc1cc(NC(=O)N(C)[C@@H](C)C[NH3+])c(C)c[nH+]1 ZINC000562755652 323030006 /nfs/dbraw/zinc/03/00/06/323030006.db2.gz UOAXJPWLWJWBFM-JTQLQIEISA-N 2 2 236.319 0.931 20 0 BCADLP C[N@@H+]1CC[C@H](C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000562914344 323033405 /nfs/dbraw/zinc/03/34/05/323033405.db2.gz SIJQREHBBCEDQL-JTQLQIEISA-N 2 2 234.303 0.177 20 0 BCADLP C[N@H+]1CC[C@H](C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000562914344 323033406 /nfs/dbraw/zinc/03/34/06/323033406.db2.gz SIJQREHBBCEDQL-JTQLQIEISA-N 2 2 234.303 0.177 20 0 BCADLP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1csnn1 ZINC000570331915 323056146 /nfs/dbraw/zinc/05/61/46/323056146.db2.gz DCLBEQQRKFSFDC-RQJHMYQMSA-N 2 2 200.311 0.754 20 0 BCADLP Cc1[nH+]ccn1CCCCn1nnnc1C[NH3+] ZINC000572758605 323057376 /nfs/dbraw/zinc/05/73/76/323057376.db2.gz SKKZVDWRYWWZMJ-UHFFFAOYSA-N 2 2 235.295 0.117 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCOCCO)C1 ZINC000570694337 323067345 /nfs/dbraw/zinc/06/73/45/323067345.db2.gz FZFAPRPAKUDBID-LLVKDONJSA-N 2 2 239.319 0.218 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC000570694337 323067346 /nfs/dbraw/zinc/06/73/46/323067346.db2.gz FZFAPRPAKUDBID-LLVKDONJSA-N 2 2 239.319 0.218 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC1 ZINC000570693375 323067469 /nfs/dbraw/zinc/06/74/69/323067469.db2.gz CMRLMNHIBVFXES-LBPRGKRZSA-N 2 2 239.363 0.491 20 0 BCADLP C[NH2+]Cc1noc(C[C@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000570800429 323071092 /nfs/dbraw/zinc/07/10/92/323071092.db2.gz OTPDCCIRUSROEQ-UWVGGRQHSA-N 2 2 238.335 0.967 20 0 BCADLP C[NH2+]Cc1noc([C@@H]2CC23CC[NH2+]CC3)n1 ZINC000570841755 323072367 /nfs/dbraw/zinc/07/23/67/323072367.db2.gz NBBBESNIOVIZOR-QMMMGPOBSA-N 2 2 222.292 0.646 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCn2nncc2C1 ZINC000570862683 323072951 /nfs/dbraw/zinc/07/29/51/323072951.db2.gz FRNVFBHTJSTBCK-UHFFFAOYSA-N 2 2 232.291 0.070 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCn2nncc2C1 ZINC000570862683 323072952 /nfs/dbraw/zinc/07/29/52/323072952.db2.gz FRNVFBHTJSTBCK-UHFFFAOYSA-N 2 2 232.291 0.070 20 0 BCADLP CC(=O)N[C@H](C)C1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000571047000 323105213 /nfs/dbraw/zinc/10/52/13/323105213.db2.gz DVVFVRAIBUJGLO-VHSXEESVSA-N 2 2 227.352 0.570 20 0 BCADLP CC(=O)NCC[N@@H+](C)C[C@H]([NH3+])CC(C)C ZINC000571047366 323105370 /nfs/dbraw/zinc/10/53/70/323105370.db2.gz SEXMWENRFGSDGT-LLVKDONJSA-N 2 2 215.341 0.428 20 0 BCADLP CC(=O)NCC[N@H+](C)C[C@H]([NH3+])CC(C)C ZINC000571047366 323105371 /nfs/dbraw/zinc/10/53/71/323105371.db2.gz SEXMWENRFGSDGT-LLVKDONJSA-N 2 2 215.341 0.428 20 0 BCADLP Cn1ncc2c1nc[nH+]c2NCCn1cc[nH+]c1 ZINC000022000940 323106398 /nfs/dbraw/zinc/10/63/98/323106398.db2.gz XPYIJADWEJHSCY-UHFFFAOYSA-N 2 2 243.274 0.672 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)C1CCOCC1 ZINC000534298823 323115696 /nfs/dbraw/zinc/11/56/96/323115696.db2.gz LBVIYIZVACFYQY-UHFFFAOYSA-N 2 2 209.293 0.994 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)C1CCOCC1 ZINC000534298823 323115697 /nfs/dbraw/zinc/11/56/97/323115697.db2.gz LBVIYIZVACFYQY-UHFFFAOYSA-N 2 2 209.293 0.994 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000563421699 323124170 /nfs/dbraw/zinc/12/41/70/323124170.db2.gz QDHOCOUERLUVHE-FKTRJACZSA-N 2 2 211.309 0.064 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000563421699 323124171 /nfs/dbraw/zinc/12/41/71/323124171.db2.gz QDHOCOUERLUVHE-FKTRJACZSA-N 2 2 211.309 0.064 20 0 BCADLP COc1ccnc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000563422676 323124296 /nfs/dbraw/zinc/12/42/96/323124296.db2.gz ACTAOVWJUMFKJZ-UWVGGRQHSA-N 2 2 236.319 0.845 20 0 BCADLP C[C@H](C[NH3+])[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000563429683 323125090 /nfs/dbraw/zinc/12/50/90/323125090.db2.gz LACMPKWZIKFNTF-SECBINFHSA-N 2 2 249.293 0.843 20 0 BCADLP COc1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])c(F)c1 ZINC000310149138 323128256 /nfs/dbraw/zinc/12/82/56/323128256.db2.gz HNSMCECQLOXQNL-JTQLQIEISA-N 2 2 242.294 0.586 20 0 BCADLP COc1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])c(F)c1 ZINC000310149138 323128257 /nfs/dbraw/zinc/12/82/57/323128257.db2.gz HNSMCECQLOXQNL-JTQLQIEISA-N 2 2 242.294 0.586 20 0 BCADLP O=C1NCC[C@@]12CCC[N@@H+]2CCCn1cc[nH+]c1 ZINC000565168185 323128947 /nfs/dbraw/zinc/12/89/47/323128947.db2.gz BNSGSYMDKGTTIO-ZDUSSCGKSA-N 2 2 248.330 0.628 20 0 BCADLP O=C1NCC[C@@]12CCC[N@H+]2CCCn1cc[nH+]c1 ZINC000565168185 323128948 /nfs/dbraw/zinc/12/89/48/323128948.db2.gz BNSGSYMDKGTTIO-ZDUSSCGKSA-N 2 2 248.330 0.628 20 0 BCADLP C[N@@H+]1CCc2ncnc(N[C@@H]3CCC[NH2+]C3)c2C1 ZINC000563662851 323133953 /nfs/dbraw/zinc/13/39/53/323133953.db2.gz CCSUPWCBAMLGTK-SNVBAGLBSA-N 2 2 247.346 0.628 20 0 BCADLP C[N@H+]1CCc2ncnc(N[C@@H]3CCC[NH2+]C3)c2C1 ZINC000563662851 323133954 /nfs/dbraw/zinc/13/39/54/323133954.db2.gz CCSUPWCBAMLGTK-SNVBAGLBSA-N 2 2 247.346 0.628 20 0 BCADLP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2nnc3n2CCC3)C1 ZINC000571226609 323138887 /nfs/dbraw/zinc/13/88/87/323138887.db2.gz RPHOIIKIGNAFRK-VHSXEESVSA-N 2 2 235.335 0.584 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@@H](O)C(F)F)n1C ZINC000571298103 323140715 /nfs/dbraw/zinc/14/07/15/323140715.db2.gz BUDBFXACSYJINV-MRVPVSSYSA-N 2 2 219.235 0.444 20 0 BCADLP C[NH+](C)[C@@H](C[NH2+]CCC(N)=O)Cc1ccccc1 ZINC000571315357 323141130 /nfs/dbraw/zinc/14/11/30/323141130.db2.gz GRFGQHQGJZWRDA-CYBMUJFWSA-N 2 2 249.358 0.624 20 0 BCADLP Cc1c[nH+]c(C)nc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000571460678 323145304 /nfs/dbraw/zinc/14/53/04/323145304.db2.gz BRHOTUDOYCEUNZ-LBPRGKRZSA-N 2 2 248.330 0.614 20 0 BCADLP Cc1c[nH+]c(C)nc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000571460678 323145305 /nfs/dbraw/zinc/14/53/05/323145305.db2.gz BRHOTUDOYCEUNZ-LBPRGKRZSA-N 2 2 248.330 0.614 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000535311851 323170370 /nfs/dbraw/zinc/17/03/70/323170370.db2.gz AKBLYHGPZUTDGE-MNOVXSKESA-N 2 2 248.330 0.440 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC000535311851 323170371 /nfs/dbraw/zinc/17/03/71/323170371.db2.gz AKBLYHGPZUTDGE-MNOVXSKESA-N 2 2 248.330 0.440 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535313788 323170427 /nfs/dbraw/zinc/17/04/27/323170427.db2.gz OJCQWTVCLYTTCI-VHSXEESVSA-N 2 2 237.303 0.771 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535313788 323170428 /nfs/dbraw/zinc/17/04/28/323170428.db2.gz OJCQWTVCLYTTCI-VHSXEESVSA-N 2 2 237.303 0.771 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530216870 323217332 /nfs/dbraw/zinc/21/73/32/323217332.db2.gz QSIBBZCXLBPGDW-SDDRHHMPSA-N 3 2 223.364 0.988 20 0 BCADLP CC[NH2+][C@H](C)CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000514617629 323326624 /nfs/dbraw/zinc/32/66/24/323326624.db2.gz WMJSENFVANEOLQ-SECBINFHSA-N 2 2 239.323 0.549 20 0 BCADLP CC[NH2+][C@H](C)CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000514617629 323326627 /nfs/dbraw/zinc/32/66/27/323326627.db2.gz WMJSENFVANEOLQ-SECBINFHSA-N 2 2 239.323 0.549 20 0 BCADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]CCC(N)=O)CCC2 ZINC000571909738 323505913 /nfs/dbraw/zinc/50/59/13/323505913.db2.gz CBCFAHIUHTWLOC-JTQLQIEISA-N 2 2 236.319 0.534 20 0 BCADLP C[N@H+](CC[NH3+])Cc1ccc(-n2cncn2)c(F)c1 ZINC000572493316 324131177 /nfs/dbraw/zinc/13/11/77/324131177.db2.gz LQDMSMKKLUJMJF-UHFFFAOYSA-N 2 2 249.293 0.797 20 0 BCADLP C[N@@H+](CC[NH3+])Cc1ccc(-n2cncn2)c(F)c1 ZINC000572493316 324131180 /nfs/dbraw/zinc/13/11/80/324131180.db2.gz LQDMSMKKLUJMJF-UHFFFAOYSA-N 2 2 249.293 0.797 20 0 BCADLP CC[C@H](C)[C@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000572519553 324179176 /nfs/dbraw/zinc/17/91/76/324179176.db2.gz MKAFZVYZCVIYCI-SDDRHHMPSA-N 2 2 241.379 0.770 20 0 BCADLP CC[C@H](C)[C@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000572519553 324179179 /nfs/dbraw/zinc/17/91/79/324179179.db2.gz MKAFZVYZCVIYCI-SDDRHHMPSA-N 2 2 241.379 0.770 20 0 BCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(F)cn2)C1 ZINC000529545546 324335227 /nfs/dbraw/zinc/33/52/27/324335227.db2.gz XTFMMYCXZZCXJU-GFCCVEGCSA-N 2 2 239.294 0.377 20 0 BCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(F)cn2)C1 ZINC000529545546 324335230 /nfs/dbraw/zinc/33/52/30/324335230.db2.gz XTFMMYCXZZCXJU-GFCCVEGCSA-N 2 2 239.294 0.377 20 0 BCADLP C[C@H](NC(=O)NCC[NH+](C)C)c1[nH+]ccn1C ZINC000667253118 487963129 /nfs/dbraw/zinc/96/31/29/487963129.db2.gz YKRFJKIOJPHECS-VIFPVBQESA-N 2 2 239.323 0.342 20 0 BCADLP CCn1ncc(C[NH2+][C@H](C)C[C@H](C)[NH3+])n1 ZINC000530214102 324530245 /nfs/dbraw/zinc/53/02/45/324530245.db2.gz XVDQAUCAIUVGBB-DTWKUNHWSA-N 2 2 211.313 0.513 20 0 BCADLP O=C1Nc2ccccc2C[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000530220711 324539380 /nfs/dbraw/zinc/53/93/80/324539380.db2.gz CWSMUOCYRXNZHT-ZDUSSCGKSA-N 2 2 245.326 0.891 20 0 BCADLP CC(C)([NH3+])CCC(=O)NCCc1[nH]cc[nH+]1 ZINC000158545942 487965067 /nfs/dbraw/zinc/96/50/67/487965067.db2.gz ZFGOFXFWLFVDBK-UHFFFAOYSA-N 2 2 224.308 0.586 20 0 BCADLP [NH3+]CCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000083913185 487965596 /nfs/dbraw/zinc/96/55/96/487965596.db2.gz CGOPWVBCFJZFML-JTQLQIEISA-N 2 2 234.303 0.125 20 0 BCADLP CN(C)C(=O)C(C)(C)[NH2+]CCCn1cc[nH+]c1 ZINC000540548772 324905223 /nfs/dbraw/zinc/90/52/23/324905223.db2.gz FYZYCVBREYEQPO-UHFFFAOYSA-N 2 2 238.335 0.730 20 0 BCADLP CC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134088905 325342033 /nfs/dbraw/zinc/34/20/33/325342033.db2.gz KZFRDDOWTBJAAY-UHFFFAOYSA-N 2 2 235.335 0.685 20 0 BCADLP C[C@@H]([NH3+])C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000083928473 487968838 /nfs/dbraw/zinc/96/88/38/487968838.db2.gz OEPQATCLBMVRAM-SNVBAGLBSA-N 2 2 248.330 0.645 20 0 BCADLP Cc1cc(NC(=O)NC2CC[NH2+]CC2)c(C)c[nH+]1 ZINC000667301895 487968963 /nfs/dbraw/zinc/96/89/63/487968963.db2.gz FVKFSSIXCMFEDY-UHFFFAOYSA-N 2 2 248.330 0.994 20 0 BCADLP CCC[NH2+]CCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000565479890 325916887 /nfs/dbraw/zinc/91/68/87/325916887.db2.gz BNXCDKRRMCSLTQ-VIFPVBQESA-N 2 2 242.348 0.259 20 0 BCADLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ncnn1C ZINC000565668390 325941489 /nfs/dbraw/zinc/94/14/89/325941489.db2.gz YAOLOVNFUCVVAW-AEJSXWLSSA-N 2 2 223.324 0.736 20 0 BCADLP COCC[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000153320595 325943153 /nfs/dbraw/zinc/94/31/53/325943153.db2.gz UGTSLFSEOHHBQG-CHWSQXEVSA-N 2 2 244.379 0.969 20 0 BCADLP CC[N@H+](C)CCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000566176806 326007275 /nfs/dbraw/zinc/00/72/75/326007275.db2.gz VABXIFOPHPLSIX-VIFPVBQESA-N 2 2 242.348 0.211 20 0 BCADLP CC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000566176806 326007280 /nfs/dbraw/zinc/00/72/80/326007280.db2.gz VABXIFOPHPLSIX-VIFPVBQESA-N 2 2 242.348 0.211 20 0 BCADLP CO[C@@H]1COC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000566219865 326017216 /nfs/dbraw/zinc/01/72/16/326017216.db2.gz GGIGHARLNPYORN-CHWSQXEVSA-N 2 2 240.347 0.617 20 0 BCADLP CC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000566230653 326019225 /nfs/dbraw/zinc/01/92/25/326019225.db2.gz AJSDQUQLBFGKRN-RYUDHWBXSA-N 2 2 230.352 0.194 20 0 BCADLP CC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000566230653 326019227 /nfs/dbraw/zinc/01/92/27/326019227.db2.gz AJSDQUQLBFGKRN-RYUDHWBXSA-N 2 2 230.352 0.194 20 0 BCADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nc(C2CC2)nn1C ZINC000566244468 326021915 /nfs/dbraw/zinc/02/19/15/326021915.db2.gz XFAYGMLQGQSNOV-VHSXEESVSA-N 2 2 249.362 0.862 20 0 BCADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nc(C2CC2)nn1C ZINC000566244468 326021918 /nfs/dbraw/zinc/02/19/18/326021918.db2.gz XFAYGMLQGQSNOV-VHSXEESVSA-N 2 2 249.362 0.862 20 0 BCADLP [NH3+]CC[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000566244823 326022798 /nfs/dbraw/zinc/02/27/98/326022798.db2.gz BOIZROOISWGMDZ-LLVKDONJSA-N 2 2 245.330 0.867 20 0 BCADLP [NH3+]CC[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000566244823 326022802 /nfs/dbraw/zinc/02/28/02/326022802.db2.gz BOIZROOISWGMDZ-LLVKDONJSA-N 2 2 245.330 0.867 20 0 BCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000566452823 326050288 /nfs/dbraw/zinc/05/02/88/326050288.db2.gz PZVGQKKPNDBLKX-LLVKDONJSA-N 2 2 248.330 0.567 20 0 BCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)C1CC1 ZINC000566771410 326081572 /nfs/dbraw/zinc/08/15/72/326081572.db2.gz NRBPUBAJXXSHNX-JTQLQIEISA-N 2 2 236.319 0.482 20 0 BCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)C1CC1 ZINC000566771410 326081574 /nfs/dbraw/zinc/08/15/74/326081574.db2.gz NRBPUBAJXXSHNX-JTQLQIEISA-N 2 2 236.319 0.482 20 0 BCADLP C[C@@]1(C[N@@H+]2CCCO[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000566916178 326093951 /nfs/dbraw/zinc/09/39/51/326093951.db2.gz VQSIQGBPMGHIHC-VXGBXAGGSA-N 3 2 227.352 0.036 20 0 BCADLP C[C@@]1(C[N@H+]2CCCO[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000566916178 326093953 /nfs/dbraw/zinc/09/39/53/326093953.db2.gz VQSIQGBPMGHIHC-VXGBXAGGSA-N 3 2 227.352 0.036 20 0 BCADLP COC[C@H]1CC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000567179849 326130754 /nfs/dbraw/zinc/13/07/54/326130754.db2.gz WTHAQAOGXJBSER-NEPJUHHUSA-N 2 2 230.352 0.408 20 0 BCADLP COC[C@H]1CC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000567179849 326130758 /nfs/dbraw/zinc/13/07/58/326130758.db2.gz WTHAQAOGXJBSER-NEPJUHHUSA-N 2 2 230.352 0.408 20 0 BCADLP COC[C@H]1CC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000567179849 326130762 /nfs/dbraw/zinc/13/07/62/326130762.db2.gz WTHAQAOGXJBSER-NEPJUHHUSA-N 2 2 230.352 0.408 20 0 BCADLP COC[C@H]1CC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000567179849 326130765 /nfs/dbraw/zinc/13/07/65/326130765.db2.gz WTHAQAOGXJBSER-NEPJUHHUSA-N 2 2 230.352 0.408 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CO1 ZINC000567235509 326148088 /nfs/dbraw/zinc/14/80/88/326148088.db2.gz MYCITZRPHUCXRK-MGAJPHDKSA-N 2 2 240.347 0.520 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CO1 ZINC000567235506 326148100 /nfs/dbraw/zinc/14/81/00/326148100.db2.gz MYCITZRPHUCXRK-GWNIPJSYSA-N 2 2 240.347 0.520 20 0 BCADLP C[C@H](CC(=O)N(C)[C@@H](C)C[NH3+])n1cc[nH+]c1 ZINC000567909098 326281439 /nfs/dbraw/zinc/28/14/39/326281439.db2.gz DCKFBTVRAUEQAY-ZJUUUORDSA-N 2 2 224.308 0.640 20 0 BCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)CC(F)(F)C[NH3+] ZINC000568152848 326314100 /nfs/dbraw/zinc/31/41/00/326314100.db2.gz NDZAOYPWGDXLNF-MRVPVSSYSA-N 2 2 235.278 0.133 20 0 BCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)CC(F)(F)C[NH3+] ZINC000568152848 326314102 /nfs/dbraw/zinc/31/41/02/326314102.db2.gz NDZAOYPWGDXLNF-MRVPVSSYSA-N 2 2 235.278 0.133 20 0 BCADLP C[C@H]1C[N@H+](C)CCN1C(=O)CC(F)(F)C[NH3+] ZINC000568152849 326314231 /nfs/dbraw/zinc/31/42/31/326314231.db2.gz NDZAOYPWGDXLNF-QMMMGPOBSA-N 2 2 235.278 0.133 20 0 BCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)CC(F)(F)C[NH3+] ZINC000568152849 326314233 /nfs/dbraw/zinc/31/42/33/326314233.db2.gz NDZAOYPWGDXLNF-QMMMGPOBSA-N 2 2 235.278 0.133 20 0 BCADLP Cn1c[nH+]cc1C[N@@H+]1CCC[C@@]12CCNC2=O ZINC000568178010 326321045 /nfs/dbraw/zinc/32/10/45/326321045.db2.gz FDWIINCOHWOVHU-LBPRGKRZSA-N 2 2 234.303 0.275 20 0 BCADLP Cn1c[nH+]cc1C[N@H+]1CCC[C@@]12CCNC2=O ZINC000568178010 326321047 /nfs/dbraw/zinc/32/10/47/326321047.db2.gz FDWIINCOHWOVHU-LBPRGKRZSA-N 2 2 234.303 0.275 20 0 BCADLP CCO[C@@H]1C[C@@H]1[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000568868730 326379479 /nfs/dbraw/zinc/37/94/79/326379479.db2.gz CMSQLSPCWPVUNP-UMSGYPCISA-N 2 2 240.347 0.520 20 0 BCADLP Cc1[nH]nc2ncc(C[NH2+][C@H]3CC[NH2+]C3)cc12 ZINC000569238734 326397082 /nfs/dbraw/zinc/39/70/82/326397082.db2.gz OVGIRDQUEDTOIT-JTQLQIEISA-N 2 2 231.303 0.718 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)Cn1cc[nH+]c1 ZINC000572777595 326410352 /nfs/dbraw/zinc/41/03/52/326410352.db2.gz KUJBXRLNPACVMP-SNVBAGLBSA-N 2 2 233.275 0.285 20 0 BCADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC000083970647 487976515 /nfs/dbraw/zinc/97/65/15/487976515.db2.gz PZFSFLXAJZSMFA-SNVBAGLBSA-N 2 2 223.324 0.247 20 0 BCADLP Cn1ncnc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000083970869 487976675 /nfs/dbraw/zinc/97/66/75/487976675.db2.gz GMKJTZGNUAUATL-JTQLQIEISA-N 2 2 223.324 0.247 20 0 BCADLP Cn1ncnc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000083970869 487976683 /nfs/dbraw/zinc/97/66/83/487976683.db2.gz GMKJTZGNUAUATL-JTQLQIEISA-N 2 2 223.324 0.247 20 0 BCADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC000083970647 487976513 /nfs/dbraw/zinc/97/65/13/487976513.db2.gz PZFSFLXAJZSMFA-SNVBAGLBSA-N 2 2 223.324 0.247 20 0 BCADLP O[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CC(F)(F)C1 ZINC000682545935 487984824 /nfs/dbraw/zinc/98/48/24/487984824.db2.gz GUCBMIIDHCODAR-JTQLQIEISA-N 2 2 245.273 0.975 20 0 BCADLP O[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CC(F)(F)C1 ZINC000682545935 487984830 /nfs/dbraw/zinc/98/48/30/487984830.db2.gz GUCBMIIDHCODAR-JTQLQIEISA-N 2 2 245.273 0.975 20 0 BCADLP COc1ncc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(C)n1 ZINC000685000887 487987452 /nfs/dbraw/zinc/98/74/52/487987452.db2.gz VDHQZIRSJKSTFD-RYUDHWBXSA-N 2 2 248.330 0.445 20 0 BCADLP O[C@]12C[C@H]1C[N@H+](Cc1c[nH+]c3n1CCC3)CC2 ZINC000668600012 487989424 /nfs/dbraw/zinc/98/94/24/487989424.db2.gz BCHNKNBUHJRFMO-GXFFZTMASA-N 2 2 233.315 0.786 20 0 BCADLP O[C@]12C[C@H]1C[N@@H+](Cc1c[nH+]c3n1CCC3)CC2 ZINC000668600012 487989428 /nfs/dbraw/zinc/98/94/28/487989428.db2.gz BCHNKNBUHJRFMO-GXFFZTMASA-N 2 2 233.315 0.786 20 0 BCADLP C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CCC[NH3+] ZINC000123349673 487993789 /nfs/dbraw/zinc/99/37/89/487993789.db2.gz IDTYZWSXERUDPO-RYUDHWBXSA-N 2 2 241.379 0.962 20 0 BCADLP C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000123349673 487993794 /nfs/dbraw/zinc/99/37/94/487993794.db2.gz IDTYZWSXERUDPO-RYUDHWBXSA-N 2 2 241.379 0.962 20 0 BCADLP CC[N@H+]1CCN(Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000677191793 487994141 /nfs/dbraw/zinc/99/41/41/487994141.db2.gz LHIUOCHKWOGOKS-SNVBAGLBSA-N 2 2 208.309 0.936 20 0 BCADLP CC[N@H+]1CCN(Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000677191792 487995261 /nfs/dbraw/zinc/99/52/61/487995261.db2.gz LHIUOCHKWOGOKS-JTQLQIEISA-N 2 2 208.309 0.936 20 0 BCADLP CC[N@@H+]1CCN(Cc2[nH+]ccn2C)C[C@@H]1C ZINC000677194313 487998946 /nfs/dbraw/zinc/99/89/46/487998946.db2.gz HECHVEXXWMJGKE-NSHDSACASA-N 2 2 222.336 0.946 20 0 BCADLP CC[N@H+]1CCN(Cc2[nH+]ccn2C)C[C@@H]1C ZINC000677194313 487998951 /nfs/dbraw/zinc/99/89/51/487998951.db2.gz HECHVEXXWMJGKE-NSHDSACASA-N 2 2 222.336 0.946 20 0 BCADLP CC[C@@H]([NH3+])c1cn(CCCn2cc[nH+]c2)nn1 ZINC000229949648 488007646 /nfs/dbraw/zinc/00/76/46/488007646.db2.gz QDGUBKAHZMKACH-SNVBAGLBSA-N 2 2 234.307 0.975 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](CO)C2)n1C ZINC000667462588 488013553 /nfs/dbraw/zinc/01/35/53/488013553.db2.gz NBGOFHQZGRIADN-NSHDSACASA-N 2 2 223.320 0.933 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H](CO)C2)n1C ZINC000667462588 488013559 /nfs/dbraw/zinc/01/35/59/488013559.db2.gz NBGOFHQZGRIADN-NSHDSACASA-N 2 2 223.320 0.933 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](CO)C2)n1C ZINC000667462587 488015013 /nfs/dbraw/zinc/01/50/13/488015013.db2.gz NBGOFHQZGRIADN-LLVKDONJSA-N 2 2 223.320 0.933 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](CO)C2)n1C ZINC000667462587 488015015 /nfs/dbraw/zinc/01/50/15/488015015.db2.gz NBGOFHQZGRIADN-LLVKDONJSA-N 2 2 223.320 0.933 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](C(N)=O)C2)n1C ZINC000667471012 488017816 /nfs/dbraw/zinc/01/78/16/488017816.db2.gz UCYNMCNOOPGJDU-VIFPVBQESA-N 2 2 222.292 0.036 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](C(N)=O)C2)n1C ZINC000667471012 488017819 /nfs/dbraw/zinc/01/78/19/488017819.db2.gz UCYNMCNOOPGJDU-VIFPVBQESA-N 2 2 222.292 0.036 20 0 BCADLP CC[C@H]1C[N@H+](CC(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000147436843 488023440 /nfs/dbraw/zinc/02/34/40/488023440.db2.gz XSWUYOAFIQPLHK-ONGXEEELSA-N 2 2 225.336 0.324 20 0 BCADLP CC[C@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000147436843 488023443 /nfs/dbraw/zinc/02/34/43/488023443.db2.gz XSWUYOAFIQPLHK-ONGXEEELSA-N 2 2 225.336 0.324 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000147442332 488023515 /nfs/dbraw/zinc/02/35/15/488023515.db2.gz BGCHTDGFVWDEPS-UWVGGRQHSA-N 2 2 213.325 0.182 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000147442332 488023521 /nfs/dbraw/zinc/02/35/21/488023521.db2.gz BGCHTDGFVWDEPS-UWVGGRQHSA-N 2 2 213.325 0.182 20 0 BCADLP CC[C@@H]1C[N@H+](CC(=O)NC(C)C)CC[C@@H]1[NH3+] ZINC000147453489 488024171 /nfs/dbraw/zinc/02/41/71/488024171.db2.gz SZORBOFTGOGMEK-MNOVXSKESA-N 2 2 227.352 0.570 20 0 BCADLP CC[C@@H]1C[N@@H+](CC(=O)NC(C)C)CC[C@@H]1[NH3+] ZINC000147453489 488024181 /nfs/dbraw/zinc/02/41/81/488024181.db2.gz SZORBOFTGOGMEK-MNOVXSKESA-N 2 2 227.352 0.570 20 0 BCADLP COCC[N@H+](C)Cc1c[nH+]c2n1CCC2 ZINC000667495481 488027342 /nfs/dbraw/zinc/02/73/42/488027342.db2.gz LHQCTVRCXLBKSS-UHFFFAOYSA-N 2 2 209.293 0.908 20 0 BCADLP COCC[N@@H+](C)Cc1c[nH+]c2n1CCC2 ZINC000667495481 488027346 /nfs/dbraw/zinc/02/73/46/488027346.db2.gz LHQCTVRCXLBKSS-UHFFFAOYSA-N 2 2 209.293 0.908 20 0 BCADLP CCC[C@@H]([NH3+])c1cn(Cc2c[nH+]cn2C)nn1 ZINC000229968849 488027174 /nfs/dbraw/zinc/02/71/74/488027174.db2.gz VXTNNLJHVUSEOM-SNVBAGLBSA-N 2 2 234.307 0.860 20 0 BCADLP CC[C@@H]1C[N@H+](CC(=O)NCC(C)C)CC[C@@H]1[NH3+] ZINC000147496723 488031314 /nfs/dbraw/zinc/03/13/14/488031314.db2.gz UXMFQEXNBDGNBW-NEPJUHHUSA-N 2 2 241.379 0.818 20 0 BCADLP CC[C@@H]1C[N@@H+](CC(=O)NCC(C)C)CC[C@@H]1[NH3+] ZINC000147496723 488031320 /nfs/dbraw/zinc/03/13/20/488031320.db2.gz UXMFQEXNBDGNBW-NEPJUHHUSA-N 2 2 241.379 0.818 20 0 BCADLP O=C(NCCc1[nH]cc[nH+]1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655448170 488035915 /nfs/dbraw/zinc/03/59/15/488035915.db2.gz UBOSSTOPYANTAG-ZWNOBZJWSA-N 2 2 248.330 0.458 20 0 BCADLP Cc1[nH+]cc(C[N@@H+](CC(N)=O)CC(C)C)n1C ZINC000667518341 488036191 /nfs/dbraw/zinc/03/61/91/488036191.db2.gz XSSPTWVMVHYEKR-UHFFFAOYSA-N 2 2 238.335 0.672 20 0 BCADLP Cc1[nH+]cc(C[N@H+](CC(N)=O)CC(C)C)n1C ZINC000667518341 488036197 /nfs/dbraw/zinc/03/61/97/488036197.db2.gz XSSPTWVMVHYEKR-UHFFFAOYSA-N 2 2 238.335 0.672 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCOC1 ZINC000401676071 488046541 /nfs/dbraw/zinc/04/65/41/488046541.db2.gz SSRZYIQHWDBMCO-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCOC1 ZINC000401676071 488046549 /nfs/dbraw/zinc/04/65/49/488046549.db2.gz SSRZYIQHWDBMCO-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCCOC1 ZINC000401676071 488046553 /nfs/dbraw/zinc/04/65/53/488046553.db2.gz SSRZYIQHWDBMCO-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCCOC1 ZINC000401676071 488046558 /nfs/dbraw/zinc/04/65/58/488046558.db2.gz SSRZYIQHWDBMCO-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](CCC[NH3+])COC)C1 ZINC000389307816 488087892 /nfs/dbraw/zinc/08/78/92/488087892.db2.gz FNHZRBSBOPGYRN-QWHCGFSZSA-N 3 2 243.395 0.814 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](CCC[NH3+])COC)C1 ZINC000389307816 488087896 /nfs/dbraw/zinc/08/78/96/488087896.db2.gz FNHZRBSBOPGYRN-QWHCGFSZSA-N 3 2 243.395 0.814 20 0 BCADLP c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n(CC2CC2)n1 ZINC000667712775 488098868 /nfs/dbraw/zinc/09/88/68/488098868.db2.gz PHXLMVIQXYPDIK-BETUJISGSA-N 2 2 246.358 0.944 20 0 BCADLP c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n(CC2CC2)n1 ZINC000667712775 488098874 /nfs/dbraw/zinc/09/88/74/488098874.db2.gz PHXLMVIQXYPDIK-BETUJISGSA-N 2 2 246.358 0.944 20 0 BCADLP [NH3+]CC[N@H+](CCC1CCCC1)C[C@@H](O)CO ZINC000662288174 487537736 /nfs/dbraw/zinc/53/77/36/487537736.db2.gz DWGWPQNMFXESAN-GFCCVEGCSA-N 2 2 230.352 0.181 20 0 BCADLP [NH3+]CC[N@@H+](CCC1CCCC1)C[C@@H](O)CO ZINC000662288174 487537740 /nfs/dbraw/zinc/53/77/40/487537740.db2.gz DWGWPQNMFXESAN-GFCCVEGCSA-N 2 2 230.352 0.181 20 0 BCADLP [NH3+]CC[N@H+](CCC1CCCC1)C[C@H](O)CO ZINC000662288175 487538145 /nfs/dbraw/zinc/53/81/45/487538145.db2.gz DWGWPQNMFXESAN-LBPRGKRZSA-N 2 2 230.352 0.181 20 0 BCADLP [NH3+]CC[N@@H+](CCC1CCCC1)C[C@H](O)CO ZINC000662288175 487538149 /nfs/dbraw/zinc/53/81/49/487538149.db2.gz DWGWPQNMFXESAN-LBPRGKRZSA-N 2 2 230.352 0.181 20 0 BCADLP Cn1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)nn1 ZINC000389837746 488116501 /nfs/dbraw/zinc/11/65/01/488116501.db2.gz READEZNOIYUBHC-YNEHKIRRSA-N 2 2 249.362 0.825 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccnn1C ZINC000168846181 487543402 /nfs/dbraw/zinc/54/34/02/487543402.db2.gz LOYDZAIQYIKBKW-VHSXEESVSA-N 2 2 208.309 0.732 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccnn1C ZINC000168846181 487543406 /nfs/dbraw/zinc/54/34/06/487543406.db2.gz LOYDZAIQYIKBKW-VHSXEESVSA-N 2 2 208.309 0.732 20 0 BCADLP C[C@H](CNC(=O)[C@H](C)[NH+](C)C)Cn1cc[nH+]c1 ZINC000674288971 487549555 /nfs/dbraw/zinc/54/95/55/487549555.db2.gz SXANJEDMTURINE-MNOVXSKESA-N 2 2 238.335 0.586 20 0 BCADLP CC(C)n1c[nH+]cc1C[NH2+][C@H](C)C(N)=O ZINC000085187877 488136295 /nfs/dbraw/zinc/13/62/95/488136295.db2.gz RTJJTUGGIMMAMG-MRVPVSSYSA-N 2 2 210.281 0.427 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCc2cccnc21 ZINC000684955643 487474993 /nfs/dbraw/zinc/47/49/93/487474993.db2.gz PWJTXVGXORRRNL-OLZOCXBDSA-N 2 2 249.358 0.971 20 0 BCADLP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCCc2cccnc21 ZINC000684955645 487475129 /nfs/dbraw/zinc/47/51/29/487475129.db2.gz PWJTXVGXORRRNL-STQMWFEESA-N 2 2 249.358 0.971 20 0 BCADLP C[C@@H](CC(=O)N(C)C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000380770897 487486429 /nfs/dbraw/zinc/48/64/29/487486429.db2.gz YVPUVKOCUOECIL-WDEREUQCSA-N 2 2 227.352 0.585 20 0 BCADLP Cc1cc(NC(=O)COCC[NH3+])cc[nH+]1 ZINC000086435318 487506754 /nfs/dbraw/zinc/50/67/54/487506754.db2.gz AFOWLAQSLRWAJE-UHFFFAOYSA-N 2 2 209.249 0.304 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC(=O)N2)C[N@@H+]1C1CC1 ZINC000161715574 487512383 /nfs/dbraw/zinc/51/23/83/487512383.db2.gz UUVPORWFHSVHSB-VWYCJHECSA-N 2 2 237.347 0.480 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC(=O)N2)C[N@H+]1C1CC1 ZINC000161715574 487512388 /nfs/dbraw/zinc/51/23/88/487512388.db2.gz UUVPORWFHSVHSB-VWYCJHECSA-N 2 2 237.347 0.480 20 0 BCADLP C[C@@H](O)C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000666123534 487508272 /nfs/dbraw/zinc/50/82/72/487508272.db2.gz GPMVUYKOUWNGBX-UTUOFQBUSA-N 2 2 230.352 0.456 20 0 BCADLP C[C@@H](O)C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000666123534 487508275 /nfs/dbraw/zinc/50/82/75/487508275.db2.gz GPMVUYKOUWNGBX-UTUOFQBUSA-N 2 2 230.352 0.456 20 0 BCADLP C[C@@]1(C(=O)Nc2ccc(N)[nH+]c2)CCC[NH2+]1 ZINC000118982449 487518591 /nfs/dbraw/zinc/51/85/91/487518591.db2.gz MHOGVYCJZKSDND-NSHDSACASA-N 2 2 220.276 0.744 20 0 BCADLP COc1cc[nH+]c(CN(C)CCC[NH3+])c1OC ZINC000232193376 487521743 /nfs/dbraw/zinc/52/17/43/487521743.db2.gz LDRIMAOVNYHQPJ-UHFFFAOYSA-N 2 2 239.319 0.879 20 0 BCADLP COc1ccnc(C[N@H+](C)CCC[NH3+])c1OC ZINC000232193376 487521746 /nfs/dbraw/zinc/52/17/46/487521746.db2.gz LDRIMAOVNYHQPJ-UHFFFAOYSA-N 2 2 239.319 0.879 20 0 BCADLP COc1ccnc(C[N@@H+](C)CCC[NH3+])c1OC ZINC000232193376 487521751 /nfs/dbraw/zinc/52/17/51/487521751.db2.gz LDRIMAOVNYHQPJ-UHFFFAOYSA-N 2 2 239.319 0.879 20 0 BCADLP COc1cc[nH+]c(CN(C)[C@H](C)C[NH3+])c1OC ZINC000232199670 487522678 /nfs/dbraw/zinc/52/26/78/487522678.db2.gz SRSCGQFXEWZYCA-SECBINFHSA-N 2 2 239.319 0.878 20 0 BCADLP [NH3+]C1(CC(=O)NCCCn2cc[nH+]c2)CCC1 ZINC000094293544 487525505 /nfs/dbraw/zinc/52/55/05/487525505.db2.gz SDFVYKPYPAQLOY-UHFFFAOYSA-N 2 2 236.319 0.661 20 0 BCADLP CO[C@@]1(C[NH2+]CC[NH+]2CCCC2)CCOC1 ZINC000234788682 487877241 /nfs/dbraw/zinc/87/72/41/487877241.db2.gz MXSOSPGXDZWNEL-GFCCVEGCSA-N 2 2 228.336 0.477 20 0 BCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1C[C@H]1C ZINC000666085391 488065059 /nfs/dbraw/zinc/06/50/59/488065059.db2.gz OXBJCXXGLKCTJO-WOPDTQHZSA-N 2 2 239.363 0.395 20 0 BCADLP Cc1[nH+]cc(C[N@H+](C)CC(C)(C)O)n1C ZINC000667639197 488065026 /nfs/dbraw/zinc/06/50/26/488065026.db2.gz NINWGFIRMDIISB-UHFFFAOYSA-N 2 2 211.309 0.931 20 0 BCADLP Cc1[nH+]cc(C[N@@H+](C)CC(C)(C)O)n1C ZINC000667639197 488065031 /nfs/dbraw/zinc/06/50/31/488065031.db2.gz NINWGFIRMDIISB-UHFFFAOYSA-N 2 2 211.309 0.931 20 0 BCADLP CC1(C)[C@@H]2C[N@@H+](C[C@H]3C[NH2+]CCO3)C[C@@H]21 ZINC000379558121 488142853 /nfs/dbraw/zinc/14/28/53/488142853.db2.gz LKRJHTOTEGNJGM-MXWKQRLJSA-N 2 2 210.321 0.563 20 0 BCADLP CC1(C)[C@@H]2C[N@H+](C[C@H]3C[NH2+]CCO3)C[C@@H]21 ZINC000379558121 488142859 /nfs/dbraw/zinc/14/28/59/488142859.db2.gz LKRJHTOTEGNJGM-MXWKQRLJSA-N 2 2 210.321 0.563 20 0 BCADLP Cn1nccc1CC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000230745633 488150611 /nfs/dbraw/zinc/15/06/11/488150611.db2.gz RLVWABDMRDKEDY-SNVBAGLBSA-N 2 2 208.309 0.386 20 0 BCADLP Cn1nccc1CC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000230745633 488150613 /nfs/dbraw/zinc/15/06/13/488150613.db2.gz RLVWABDMRDKEDY-SNVBAGLBSA-N 2 2 208.309 0.386 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)n1C ZINC000668012163 488184448 /nfs/dbraw/zinc/18/44/48/488184448.db2.gz UMQVWOFARKCNBW-BXKDBHETSA-N 2 2 223.320 0.931 20 0 BCADLP Cc1[nH+]cc(C[N@H+](C)CC2CC(O)C2)n1C ZINC000668035311 488192401 /nfs/dbraw/zinc/19/24/01/488192401.db2.gz ISDJOWCVZJUUAJ-UHFFFAOYSA-N 2 2 223.320 0.931 20 0 BCADLP Cc1[nH+]cc(C[N@@H+](C)CC2CC(O)C2)n1C ZINC000668035311 488192402 /nfs/dbraw/zinc/19/24/02/488192402.db2.gz ISDJOWCVZJUUAJ-UHFFFAOYSA-N 2 2 223.320 0.931 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)n1C ZINC000668035357 488192413 /nfs/dbraw/zinc/19/24/13/488192413.db2.gz JUHXCXBKRYRSNW-SKDRFNHKSA-N 2 2 223.320 0.931 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)n1C ZINC000668035357 488192414 /nfs/dbraw/zinc/19/24/14/488192414.db2.gz JUHXCXBKRYRSNW-SKDRFNHKSA-N 2 2 223.320 0.931 20 0 BCADLP CO[C@@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)CC[C@@H]1C ZINC000299918892 488194629 /nfs/dbraw/zinc/19/46/29/488194629.db2.gz VSYDJBUWLJPTHA-QJPTWQEYSA-N 2 2 228.336 0.332 20 0 BCADLP CO[C@@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)CC[C@@H]1C ZINC000299918892 488194633 /nfs/dbraw/zinc/19/46/33/488194633.db2.gz VSYDJBUWLJPTHA-QJPTWQEYSA-N 2 2 228.336 0.332 20 0 BCADLP CCCC[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000050888928 488196208 /nfs/dbraw/zinc/19/62/08/488196208.db2.gz AELINHWNIJPCSL-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)n1C ZINC000668084700 488199849 /nfs/dbraw/zinc/19/98/49/488199849.db2.gz SUBIBDNGFFOTOC-ZDUSSCGKSA-N 2 2 248.330 0.441 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)n1C ZINC000668084700 488199850 /nfs/dbraw/zinc/19/98/50/488199850.db2.gz SUBIBDNGFFOTOC-ZDUSSCGKSA-N 2 2 248.330 0.441 20 0 BCADLP CC[N@H+](CCOCCO)Cc1c[nH+]c(C)n1C ZINC000668105915 488204017 /nfs/dbraw/zinc/20/40/17/488204017.db2.gz KXBFMSMEABOHGK-UHFFFAOYSA-N 2 2 241.335 0.559 20 0 BCADLP CC[N@@H+](CCOCCO)Cc1c[nH+]c(C)n1C ZINC000668105915 488204021 /nfs/dbraw/zinc/20/40/21/488204021.db2.gz KXBFMSMEABOHGK-UHFFFAOYSA-N 2 2 241.335 0.559 20 0 BCADLP C[NH+](C)CC(C)(C)[NH2+]CC1(C)COC1 ZINC000308607783 488212145 /nfs/dbraw/zinc/21/21/45/488212145.db2.gz JTEGJXPKBVKACK-UHFFFAOYSA-N 2 2 200.326 0.953 20 0 BCADLP C[C@@H](C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000678216819 488219561 /nfs/dbraw/zinc/21/95/61/488219561.db2.gz ICHKKQPBEYPIFO-AXFHLTTASA-N 2 2 227.352 0.488 20 0 BCADLP C[C@@H](C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000678216819 488219563 /nfs/dbraw/zinc/21/95/63/488219563.db2.gz ICHKKQPBEYPIFO-AXFHLTTASA-N 2 2 227.352 0.488 20 0 BCADLP C[C@@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C)[NH+](C)C ZINC000678430465 488255732 /nfs/dbraw/zinc/25/57/32/488255732.db2.gz QPMSBYNXPYIDIV-VWYCJHECSA-N 2 2 227.352 0.488 20 0 BCADLP Cc1cc(=O)[nH]c([C@H](C)[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000684089344 488265327 /nfs/dbraw/zinc/26/53/27/488265327.db2.gz UHROVXPYLOXRRV-HBNTYKKESA-N 2 2 248.330 0.703 20 0 BCADLP CC[N@@H+]1CCN(Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000684619783 488334319 /nfs/dbraw/zinc/33/43/19/488334319.db2.gz OQXQJDMAOCVSAP-JTQLQIEISA-N 2 2 208.309 0.936 20 0 BCADLP CC[N@H+]1CCN(Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000684619783 488334320 /nfs/dbraw/zinc/33/43/20/488334320.db2.gz OQXQJDMAOCVSAP-JTQLQIEISA-N 2 2 208.309 0.936 20 0 BCADLP COc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000678883739 488293206 /nfs/dbraw/zinc/29/32/06/488293206.db2.gz SCSWTSWZUBDXPM-PHIMTYICSA-N 2 2 233.315 0.741 20 0 BCADLP COc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000678883739 488293207 /nfs/dbraw/zinc/29/32/07/488293207.db2.gz SCSWTSWZUBDXPM-PHIMTYICSA-N 2 2 233.315 0.741 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCn1cncn1 ZINC000679036536 488304410 /nfs/dbraw/zinc/30/44/10/488304410.db2.gz MQAOTURPNROVKC-YPMHNXCESA-N 2 2 249.362 0.741 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCn1cncn1 ZINC000679036536 488304412 /nfs/dbraw/zinc/30/44/12/488304412.db2.gz MQAOTURPNROVKC-YPMHNXCESA-N 2 2 249.362 0.741 20 0 BCADLP C[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000684432863 488312655 /nfs/dbraw/zinc/31/26/55/488312655.db2.gz OFJZJVKCZPARGJ-LLVKDONJSA-N 2 2 236.319 0.553 20 0 BCADLP C[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000684432863 488312657 /nfs/dbraw/zinc/31/26/57/488312657.db2.gz OFJZJVKCZPARGJ-LLVKDONJSA-N 2 2 236.319 0.553 20 0 BCADLP C[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000684432863 488312658 /nfs/dbraw/zinc/31/26/58/488312658.db2.gz OFJZJVKCZPARGJ-LLVKDONJSA-N 2 2 236.319 0.553 20 0 BCADLP C[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000684432863 488312661 /nfs/dbraw/zinc/31/26/61/488312661.db2.gz OFJZJVKCZPARGJ-LLVKDONJSA-N 2 2 236.319 0.553 20 0 BCADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@](C)(O)CO)n2c1 ZINC000684537889 488326762 /nfs/dbraw/zinc/32/67/62/488326762.db2.gz GBNQGROFUHBBRE-CYBMUJFWSA-N 2 2 249.314 0.476 20 0 BCADLP O=C1C[C@H](C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CN1 ZINC000660076486 490157286 /nfs/dbraw/zinc/15/72/86/490157286.db2.gz JESOWMVIGGKZEO-WDEREUQCSA-N 2 2 248.330 0.725 20 0 BCADLP O=C1C[C@H](C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CN1 ZINC000660076486 490157290 /nfs/dbraw/zinc/15/72/90/490157290.db2.gz JESOWMVIGGKZEO-WDEREUQCSA-N 2 2 248.330 0.725 20 0 BCADLP Cc1nn(C)cc1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000235819730 490181630 /nfs/dbraw/zinc/18/16/30/490181630.db2.gz YKCPKJBVLBPHIG-LBPRGKRZSA-N 2 2 222.336 0.960 20 0 BCADLP C[C@]1(C(=O)NCc2c[nH+]c[nH]2)CC[NH2+]C1 ZINC000084081108 490365577 /nfs/dbraw/zinc/36/55/77/490365577.db2.gz ZSZBIUJCXUCURU-JTQLQIEISA-N 2 2 208.265 0.026 20 0 BCADLP C[C@]1(C(=O)NCc2c[nH]c[nH+]2)CC[NH2+]C1 ZINC000084081108 490365582 /nfs/dbraw/zinc/36/55/82/490365582.db2.gz ZSZBIUJCXUCURU-JTQLQIEISA-N 2 2 208.265 0.026 20 0 BCADLP CC(C)(C)[C@H]([NH3+])C(=O)NCc1c[nH+]c[nH]1 ZINC000084081149 490365701 /nfs/dbraw/zinc/36/57/01/490365701.db2.gz JDOCDOBKZMXGHZ-MRVPVSSYSA-N 2 2 210.281 0.399 20 0 BCADLP CC(C)(C)[C@H]([NH3+])C(=O)NCc1c[nH]c[nH+]1 ZINC000084081149 490365708 /nfs/dbraw/zinc/36/57/08/490365708.db2.gz JDOCDOBKZMXGHZ-MRVPVSSYSA-N 2 2 210.281 0.399 20 0 BCADLP CCCn1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000220221623 490593925 /nfs/dbraw/zinc/59/39/25/490593925.db2.gz UWFYEYRFBCREOY-STQMWFEESA-N 2 2 234.347 0.944 20 0 BCADLP CN(CC[NH+](C)C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000080685368 490649352 /nfs/dbraw/zinc/64/93/52/490649352.db2.gz WKEVFUHNSQXVNS-UHFFFAOYSA-N 2 2 246.318 0.660 20 0 BCADLP C[NH+](C)CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000169810713 490681906 /nfs/dbraw/zinc/68/19/06/490681906.db2.gz TZLKHFRZWRKBMP-SNVBAGLBSA-N 2 2 236.319 0.677 20 0 BCADLP Cc1nc(NCC[N@@H+]2CC[C@@H](O)C2)cc[nH+]1 ZINC000624680800 491108604 /nfs/dbraw/zinc/10/86/04/491108604.db2.gz ZSKRSBVLAYFWOU-SNVBAGLBSA-N 2 2 222.292 0.264 20 0 BCADLP Cc1nc(NCC[N@H+]2CC[C@@H](O)C2)cc[nH+]1 ZINC000624680800 491108605 /nfs/dbraw/zinc/10/86/05/491108605.db2.gz ZSKRSBVLAYFWOU-SNVBAGLBSA-N 2 2 222.292 0.264 20 0 BCADLP Fc1cncc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000230955244 491131100 /nfs/dbraw/zinc/13/11/00/491131100.db2.gz XBXLETBDQPYMRI-GHMZBOCLSA-N 2 2 221.279 0.872 20 0 BCADLP COC[C@H](O)C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000309629656 491153153 /nfs/dbraw/zinc/15/31/53/491153153.db2.gz HIMSFTNFVBYTQX-VXGBXAGGSA-N 2 2 230.352 0.456 20 0 BCADLP COC[C@H](O)C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000309629656 491153154 /nfs/dbraw/zinc/15/31/54/491153154.db2.gz HIMSFTNFVBYTQX-VXGBXAGGSA-N 2 2 230.352 0.456 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000309105269 533904532 /nfs/dbraw/zinc/90/45/32/533904532.db2.gz HQOWUKLADLOCDL-FIQHERPVSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000309105269 533904551 /nfs/dbraw/zinc/90/45/51/533904551.db2.gz HQOWUKLADLOCDL-FIQHERPVSA-N 2 2 212.337 0.830 20 0 BCADLP CON1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000846974361 582671324 /nfs/dbraw/zinc/67/13/24/582671324.db2.gz AAFSJLSIKCDMCD-UHFFFAOYSA-N 2 2 238.335 0.761 20 0 BCADLP C[C@@H]1CC[N@H+](CCNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493071815 534033254 /nfs/dbraw/zinc/03/32/54/534033254.db2.gz PMKUCIIDXQRUPD-KXMPLOMGSA-N 2 2 248.330 0.881 20 0 BCADLP C[C@@H]1CC[N@@H+](CCNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493071815 534033262 /nfs/dbraw/zinc/03/32/62/534033262.db2.gz PMKUCIIDXQRUPD-KXMPLOMGSA-N 2 2 248.330 0.881 20 0 BCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493364570 534234986 /nfs/dbraw/zinc/23/49/86/534234986.db2.gz GSBPOQFHDDMRME-WQMVXFAESA-N 2 2 248.330 0.974 20 0 BCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493364570 534234989 /nfs/dbraw/zinc/23/49/89/534234989.db2.gz GSBPOQFHDDMRME-WQMVXFAESA-N 2 2 248.330 0.974 20 0 BCADLP C[N@H+](Cc1nnc[nH]1)CC1CC[NH+](C)CC1 ZINC000892073553 582786039 /nfs/dbraw/zinc/78/60/39/582786039.db2.gz PWCJDOXHEXGJIV-UHFFFAOYSA-N 2 2 223.324 0.578 20 0 BCADLP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494402328 534438511 /nfs/dbraw/zinc/43/85/11/534438511.db2.gz DOAXMBHSCLQKAJ-WOPDTQHZSA-N 2 2 234.347 0.738 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000309097303 534438699 /nfs/dbraw/zinc/43/86/99/534438699.db2.gz DINCOKQZWUPHLK-NOOOWODRSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000309097303 534438703 /nfs/dbraw/zinc/43/87/03/534438703.db2.gz DINCOKQZWUPHLK-NOOOWODRSA-N 2 2 212.337 0.687 20 0 BCADLP CC(=O)NC[C@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000261571603 534484689 /nfs/dbraw/zinc/48/46/89/534484689.db2.gz HPAVCIOEWNCPHM-GXSJLCMTSA-N 2 2 213.325 0.182 20 0 BCADLP CC(=O)NC[C@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000261571603 534484695 /nfs/dbraw/zinc/48/46/95/534484695.db2.gz HPAVCIOEWNCPHM-GXSJLCMTSA-N 2 2 213.325 0.182 20 0 BCADLP COC(=O)[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000252689265 536441949 /nfs/dbraw/zinc/44/19/49/536441949.db2.gz QRKXPEIPBLMBBV-ZJUUUORDSA-N 2 2 216.325 0.853 20 0 BCADLP COC(=O)[C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000252689265 536441951 /nfs/dbraw/zinc/44/19/51/536441951.db2.gz QRKXPEIPBLMBBV-ZJUUUORDSA-N 2 2 216.325 0.853 20 0 BCADLP CC(C)([NH3+])C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000496099090 527240424 /nfs/dbraw/zinc/24/04/24/527240424.db2.gz BBAIJQXMLGWZJB-UHFFFAOYSA-N 2 2 227.308 0.298 20 0 BCADLP CC1(C)CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[NH2+]1 ZINC000492872680 529061284 /nfs/dbraw/zinc/06/12/84/529061284.db2.gz ZKPXBGKNNONXAK-ARJAWSKDSA-N 2 2 234.303 0.633 20 0 BCADLP CCOC(=O)N[C@@H]1CCC[N@H+](CCC[NH2+]C)C1 ZINC000496329459 529095185 /nfs/dbraw/zinc/09/51/85/529095185.db2.gz QZMUYLLZHIPAGY-LLVKDONJSA-N 2 2 243.351 0.806 20 0 BCADLP CCOC(=O)N[C@@H]1CCC[N@@H+](CCC[NH2+]C)C1 ZINC000496329459 529095188 /nfs/dbraw/zinc/09/51/88/529095188.db2.gz QZMUYLLZHIPAGY-LLVKDONJSA-N 2 2 243.351 0.806 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000335646863 534985676 /nfs/dbraw/zinc/98/56/76/534985676.db2.gz OWPJSGWXUXUHDW-WDEREUQCSA-N 3 2 211.353 0.716 20 0 BCADLP CC(C)[C@H](CO)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166136892 535038594 /nfs/dbraw/zinc/03/85/94/535038594.db2.gz NSFSJGSFWSXHFK-UTUOFQBUSA-N 2 2 230.352 0.360 20 0 BCADLP CC(C)C[N@H+](CCc1c[nH+]cn1C)CC(N)=O ZINC000347733455 535054131 /nfs/dbraw/zinc/05/41/31/535054131.db2.gz CXOZRQUXZJHSJM-UHFFFAOYSA-N 2 2 238.335 0.406 20 0 BCADLP CC(C)C[N@@H+](CCc1c[nH+]cn1C)CC(N)=O ZINC000347733455 535054134 /nfs/dbraw/zinc/05/41/34/535054134.db2.gz CXOZRQUXZJHSJM-UHFFFAOYSA-N 2 2 238.335 0.406 20 0 BCADLP CC(C)[C@](C)(O)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000261551589 535285053 /nfs/dbraw/zinc/28/50/53/535285053.db2.gz MHOJYVCOHYAFMT-FRRDWIJNSA-N 2 2 244.379 0.750 20 0 BCADLP CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261591080 535460887 /nfs/dbraw/zinc/46/08/87/535460887.db2.gz UYCPCTCYGFXXQQ-ZYHUDNBSSA-N 2 2 228.336 0.999 20 0 BCADLP CCOC(=O)[C@@H](CC)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261591080 535460891 /nfs/dbraw/zinc/46/08/91/535460891.db2.gz UYCPCTCYGFXXQQ-ZYHUDNBSSA-N 2 2 228.336 0.999 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261534215 535626869 /nfs/dbraw/zinc/62/68/69/535626869.db2.gz LVWOHLSHQNEZRQ-ONGXEEELSA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261534215 535626871 /nfs/dbraw/zinc/62/68/71/535626871.db2.gz LVWOHLSHQNEZRQ-ONGXEEELSA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261558491 535647784 /nfs/dbraw/zinc/64/77/84/535647784.db2.gz SPHGHDKAGRNLGJ-WOPDTQHZSA-N 2 2 240.347 0.869 20 0 BCADLP CCOC(=O)[C@H](CC)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261558491 535647786 /nfs/dbraw/zinc/64/77/86/535647786.db2.gz SPHGHDKAGRNLGJ-WOPDTQHZSA-N 2 2 240.347 0.869 20 0 BCADLP CC[C@@H](O)C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000367047714 535813688 /nfs/dbraw/zinc/81/36/88/535813688.db2.gz LXWRVMABNHBOFQ-UTUOFQBUSA-N 2 2 212.337 0.783 20 0 BCADLP CC[C@@H](O)C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000367047714 535813689 /nfs/dbraw/zinc/81/36/89/535813689.db2.gz LXWRVMABNHBOFQ-UTUOFQBUSA-N 2 2 212.337 0.783 20 0 BCADLP CC[C@@H](O)C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000367047714 535813690 /nfs/dbraw/zinc/81/36/90/535813690.db2.gz LXWRVMABNHBOFQ-UTUOFQBUSA-N 2 2 212.337 0.783 20 0 BCADLP CC[C@@H](O)C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000367047714 535813691 /nfs/dbraw/zinc/81/36/91/535813691.db2.gz LXWRVMABNHBOFQ-UTUOFQBUSA-N 2 2 212.337 0.783 20 0 BCADLP CN(CC[NH+]1CCCC1)Cc1c[nH]c[nH+]1 ZINC000349071704 536371287 /nfs/dbraw/zinc/37/12/87/536371287.db2.gz GVVCPDLBLSINGB-UHFFFAOYSA-N 2 2 208.309 0.937 20 0 BCADLP CN(CC[NH+]1CCCC1)Cc1c[nH+]c[nH]1 ZINC000349071704 536371289 /nfs/dbraw/zinc/37/12/89/536371289.db2.gz GVVCPDLBLSINGB-UHFFFAOYSA-N 2 2 208.309 0.937 20 0 BCADLP C[N@H+](CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000263079194 536383625 /nfs/dbraw/zinc/38/36/25/536383625.db2.gz XIRHWUNXVCTGIC-VIFPVBQESA-N 2 2 247.289 0.194 20 0 BCADLP C[N@@H+](CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000263079194 536383629 /nfs/dbraw/zinc/38/36/29/536383629.db2.gz XIRHWUNXVCTGIC-VIFPVBQESA-N 2 2 247.289 0.194 20 0 BCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH+](C)C ZINC000854597287 588796728 /nfs/dbraw/zinc/79/67/28/588796728.db2.gz UAUXRUYHCMSJNW-VIFPVBQESA-N 2 2 224.308 0.266 20 0 BCADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854651293 588799374 /nfs/dbraw/zinc/79/93/74/588799374.db2.gz WGERQRNIYZABIT-ZJUUUORDSA-N 2 2 236.319 0.503 20 0 BCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854668608 588800258 /nfs/dbraw/zinc/80/02/58/588800258.db2.gz XDKQQPLUJMDULL-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854668608 588800259 /nfs/dbraw/zinc/80/02/59/588800259.db2.gz XDKQQPLUJMDULL-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP CCN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CC[N@H+](C)C1 ZINC000855362043 588828863 /nfs/dbraw/zinc/82/88/63/588828863.db2.gz MGHSCRHTXWUZHI-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP CCN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CC[N@@H+](C)C1 ZINC000855362043 588828864 /nfs/dbraw/zinc/82/88/64/588828864.db2.gz MGHSCRHTXWUZHI-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cnn(C)n2)[C@@H](C)C1 ZINC000806167364 582517735 /nfs/dbraw/zinc/51/77/35/582517735.db2.gz SQFAVGWIZIVLHQ-JQWIXIFHSA-N 2 2 237.351 0.635 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cnn(C)n2)[C@@H](C)C1 ZINC000806167364 582517737 /nfs/dbraw/zinc/51/77/37/582517737.db2.gz SQFAVGWIZIVLHQ-JQWIXIFHSA-N 2 2 237.351 0.635 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000892015932 582761738 /nfs/dbraw/zinc/76/17/38/582761738.db2.gz RWCKJSOZRBUAKH-SECBINFHSA-N 2 2 237.307 0.303 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000892024924 582764225 /nfs/dbraw/zinc/76/42/25/582764225.db2.gz SRLMDHOJGDKOHQ-SECBINFHSA-N 2 2 237.307 0.288 20 0 BCADLP C[N@@H+](Cc1nnc[nH]1)CC1CC[NH+](C)CC1 ZINC000892073553 582786038 /nfs/dbraw/zinc/78/60/38/582786038.db2.gz PWCJDOXHEXGJIV-UHFFFAOYSA-N 2 2 223.324 0.578 20 0 BCADLP OC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)C1CC1 ZINC000850136601 582895564 /nfs/dbraw/zinc/89/55/64/582895564.db2.gz ABHKMQCLUVZKBM-LLVKDONJSA-N 2 2 221.304 0.690 20 0 BCADLP OC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)C1CC1 ZINC000850136602 582895640 /nfs/dbraw/zinc/89/56/40/582895640.db2.gz ABHKMQCLUVZKBM-NSHDSACASA-N 2 2 221.304 0.690 20 0 BCADLP Cc1cc(N)nc(N(C)Cc2[nH]cc[nH+]2)[nH+]1 ZINC000892559997 582914364 /nfs/dbraw/zinc/91/43/64/582914364.db2.gz SAJIDRGPPOJWTF-UHFFFAOYSA-N 2 2 218.264 0.727 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccc(O)cc1 ZINC000225313124 582937177 /nfs/dbraw/zinc/93/71/77/582937177.db2.gz QZQALYSRDUCJGU-ZDUSSCGKSA-N 2 2 249.358 0.728 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccc(O)cc1 ZINC000225313124 582937179 /nfs/dbraw/zinc/93/71/79/582937179.db2.gz QZQALYSRDUCJGU-ZDUSSCGKSA-N 2 2 249.358 0.728 20 0 BCADLP CC(=O)OC[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000892665806 582945432 /nfs/dbraw/zinc/94/54/32/582945432.db2.gz VINGMWGQFNUWBL-MWLCHTKSSA-N 2 2 214.309 0.622 20 0 BCADLP CC(=O)OC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000892665806 582945435 /nfs/dbraw/zinc/94/54/35/582945435.db2.gz VINGMWGQFNUWBL-MWLCHTKSSA-N 2 2 214.309 0.622 20 0 BCADLP COCCOC[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000892665831 582945443 /nfs/dbraw/zinc/94/54/43/582945443.db2.gz VOZOVSHXWCPNFT-NEPJUHHUSA-N 2 2 230.352 0.722 20 0 BCADLP COCCOC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000892665831 582945446 /nfs/dbraw/zinc/94/54/46/582945446.db2.gz VOZOVSHXWCPNFT-NEPJUHHUSA-N 2 2 230.352 0.722 20 0 BCADLP COCCOC[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000893320147 583100417 /nfs/dbraw/zinc/10/04/17/583100417.db2.gz MCBBHMNBLFYDJR-GFCCVEGCSA-N 2 2 230.352 0.723 20 0 BCADLP COCCOC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000893354441 583120248 /nfs/dbraw/zinc/12/02/48/583120248.db2.gz KZETYDQZBYKMGW-QWHCGFSZSA-N 2 2 244.379 0.969 20 0 BCADLP COCCOC[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000893354441 583120251 /nfs/dbraw/zinc/12/02/51/583120251.db2.gz KZETYDQZBYKMGW-QWHCGFSZSA-N 2 2 244.379 0.969 20 0 BCADLP CCn1ncc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000857084434 588886627 /nfs/dbraw/zinc/88/66/27/588886627.db2.gz SLVFPKYSNOYDOG-ZJUUUORDSA-N 2 2 223.324 0.467 20 0 BCADLP CCn1ncc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000857084434 588886628 /nfs/dbraw/zinc/88/66/28/588886628.db2.gz SLVFPKYSNOYDOG-ZJUUUORDSA-N 2 2 223.324 0.467 20 0 BCADLP CCn1ncc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000857085959 588886633 /nfs/dbraw/zinc/88/66/33/588886633.db2.gz HYVRIBJJQKTHBZ-AAEUAGOBSA-N 2 2 249.362 0.859 20 0 BCADLP CCn1ncc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000857085959 588886635 /nfs/dbraw/zinc/88/66/35/588886635.db2.gz HYVRIBJJQKTHBZ-AAEUAGOBSA-N 2 2 249.362 0.859 20 0 BCADLP Cc1cc(N)nc(NCCc2cn(C)c[nH+]2)[nH+]1 ZINC000894151527 583319098 /nfs/dbraw/zinc/31/90/98/583319098.db2.gz PMLATSXPRWBSCL-UHFFFAOYSA-N 2 2 232.291 0.755 20 0 BCADLP Cc1cc[nH+]c(N)c1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000894200070 583336087 /nfs/dbraw/zinc/33/60/87/583336087.db2.gz IMWCMNKISLPXAZ-MRVPVSSYSA-N 2 2 249.236 0.985 20 0 BCADLP CCNC(=O)N1CC[C@@H]([NH2+]Cc2c[nH+]c[nH]2)C1 ZINC000894327520 583423515 /nfs/dbraw/zinc/42/35/15/583423515.db2.gz VHQXKACLESVOIY-SECBINFHSA-N 2 2 237.307 0.303 20 0 BCADLP Cc1ncoc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000894354490 583434191 /nfs/dbraw/zinc/43/41/91/583434191.db2.gz LPIDRSVWHHPPGR-NSHDSACASA-N 2 2 227.308 0.385 20 0 BCADLP Cc1ccnc(N)c1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000894580816 583488299 /nfs/dbraw/zinc/48/82/99/583488299.db2.gz OSJNVIQDJMLQJU-TXEJJXNPSA-N 2 2 246.358 0.966 20 0 BCADLP Cc1ccnc(N)c1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000894580816 583488300 /nfs/dbraw/zinc/48/83/00/583488300.db2.gz OSJNVIQDJMLQJU-TXEJJXNPSA-N 2 2 246.358 0.966 20 0 BCADLP Cc1ccnc(N)c1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000894580816 583488301 /nfs/dbraw/zinc/48/83/01/583488301.db2.gz OSJNVIQDJMLQJU-TXEJJXNPSA-N 2 2 246.358 0.966 20 0 BCADLP Cc1ccnc(N)c1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000894580816 583488302 /nfs/dbraw/zinc/48/83/02/583488302.db2.gz OSJNVIQDJMLQJU-TXEJJXNPSA-N 2 2 246.358 0.966 20 0 BCADLP Cc1cc(N)nc(NC[C@@H]2COCC[N@H+]2C)[nH+]1 ZINC000894760888 583518696 /nfs/dbraw/zinc/51/86/96/583518696.db2.gz NZUCAOFSCAZJGF-SECBINFHSA-N 2 2 237.307 0.110 20 0 BCADLP Cc1cc(N)nc(NC[C@@H]2COCC[N@@H+]2C)[nH+]1 ZINC000894760888 583518697 /nfs/dbraw/zinc/51/86/97/583518697.db2.gz NZUCAOFSCAZJGF-SECBINFHSA-N 2 2 237.307 0.110 20 0 BCADLP CC(=O)CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115548697 588908890 /nfs/dbraw/zinc/90/88/90/588908890.db2.gz JHTCPUNFHIZWSE-UHFFFAOYSA-N 2 2 242.363 0.744 20 0 BCADLP CC(=O)CC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115548697 588908891 /nfs/dbraw/zinc/90/88/91/588908891.db2.gz JHTCPUNFHIZWSE-UHFFFAOYSA-N 2 2 242.363 0.744 20 0 BCADLP C[C@@H](C[NH+](C)C)NC(=O)NCc1cn(C)c[nH+]1 ZINC000894846965 583531228 /nfs/dbraw/zinc/53/12/28/583531228.db2.gz XLLSZRAIQKQLAY-VIFPVBQESA-N 2 2 239.323 0.169 20 0 BCADLP CC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)[C@@H](O)C(F)F ZINC000894881628 583544420 /nfs/dbraw/zinc/54/44/20/583544420.db2.gz SAIAZFZNOQITKB-HTQZYQBOSA-N 2 2 219.235 0.904 20 0 BCADLP CC[C@H]([NH2+]Cc1c(C)cc[nH+]c1N)C(=O)NC ZINC000894949483 583558814 /nfs/dbraw/zinc/55/88/14/583558814.db2.gz MSAODIKGQCLUNI-JTQLQIEISA-N 2 2 236.319 0.586 20 0 BCADLP O[C@@]1(CC[NH2+]Cc2c[nH+]c[nH]2)CCCOC1 ZINC000895148934 583605555 /nfs/dbraw/zinc/60/55/55/583605555.db2.gz AUOHUAJMORORPL-LLVKDONJSA-N 2 2 225.292 0.431 20 0 BCADLP Cc1nc(N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)cc[nH+]1 ZINC000895245615 583631674 /nfs/dbraw/zinc/63/16/74/583631674.db2.gz GYHBJYHFXBQSHQ-PWSUYJOCSA-N 2 2 249.362 0.831 20 0 BCADLP Cc1nc(N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc[nH+]1 ZINC000895245615 583631675 /nfs/dbraw/zinc/63/16/75/583631675.db2.gz GYHBJYHFXBQSHQ-PWSUYJOCSA-N 2 2 249.362 0.831 20 0 BCADLP C[NH+]1CCC([NH2+][C@H]2C(=O)NCC2(C)C)CC1 ZINC000895317183 583648391 /nfs/dbraw/zinc/64/83/91/583648391.db2.gz VDDMFJSWPFDTSH-JTQLQIEISA-N 2 2 225.336 0.195 20 0 BCADLP CC[NH+]1CCC([NH2+][C@@H]2C(=O)NCC2(C)C)CC1 ZINC000895323042 583650254 /nfs/dbraw/zinc/65/02/54/583650254.db2.gz IGBAMAUCPBVHJB-LLVKDONJSA-N 2 2 239.363 0.585 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000895415350 583667559 /nfs/dbraw/zinc/66/75/59/583667559.db2.gz UHCMTDLHYAUMNX-MWLCHTKSSA-N 2 2 247.298 0.577 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000895415350 583667561 /nfs/dbraw/zinc/66/75/61/583667561.db2.gz UHCMTDLHYAUMNX-MWLCHTKSSA-N 2 2 247.298 0.577 20 0 BCADLP OC[C@@H](C[NH2+]Cc1c[nH+]c[nH]1)Cc1ccoc1 ZINC000895585991 583694392 /nfs/dbraw/zinc/69/43/92/583694392.db2.gz OHWTZIWNQTTZQR-LLVKDONJSA-N 2 2 235.287 0.944 20 0 BCADLP OC[C@@H](C[C@H]1CCCO1)[NH2+]Cc1c[nH+]c[nH]1 ZINC000895746129 583716437 /nfs/dbraw/zinc/71/64/37/583716437.db2.gz CDLPCTJMESUERF-MWLCHTKSSA-N 2 2 225.292 0.429 20 0 BCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857979543 588927604 /nfs/dbraw/zinc/92/76/04/588927604.db2.gz CWASPWAEQXVEAA-GHMZBOCLSA-N 2 2 248.330 0.928 20 0 BCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857979543 588927605 /nfs/dbraw/zinc/92/76/05/588927605.db2.gz CWASPWAEQXVEAA-GHMZBOCLSA-N 2 2 248.330 0.928 20 0 BCADLP CC[NH+](CC)CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857984452 588928716 /nfs/dbraw/zinc/92/87/16/588928716.db2.gz BHBURAQLFSVLHT-SNVBAGLBSA-N 2 2 236.319 0.786 20 0 BCADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000896304421 583789845 /nfs/dbraw/zinc/78/98/45/583789845.db2.gz NEZFAUYBBNHXQM-VIFPVBQESA-N 2 2 236.319 0.899 20 0 BCADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000896304421 583789846 /nfs/dbraw/zinc/78/98/46/583789846.db2.gz NEZFAUYBBNHXQM-VIFPVBQESA-N 2 2 236.319 0.899 20 0 BCADLP C[C@@H]1[C@H]([NH2+][C@H]2CCNC(=O)CC2)CC[N@@H+]1C ZINC000896555165 583812199 /nfs/dbraw/zinc/81/21/99/583812199.db2.gz NPMLHYCHJAQQBG-GMTAPVOTSA-N 2 2 225.336 0.337 20 0 BCADLP C[C@@H]1[C@H]([NH2+][C@H]2CCNC(=O)CC2)CC[N@H+]1C ZINC000896555165 583812200 /nfs/dbraw/zinc/81/22/00/583812200.db2.gz NPMLHYCHJAQQBG-GMTAPVOTSA-N 2 2 225.336 0.337 20 0 BCADLP C[C@@H]1C[C@H]1NC(=[NH2+])NCc1c[nH+]cn1C ZINC000864467389 584008545 /nfs/dbraw/zinc/00/85/45/584008545.db2.gz SKFDHXPKUBVIJJ-VXNVDRBHSA-N 2 2 207.281 0.442 20 0 BCADLP Cn1c[nH+]c(CCNC(=[NH2+])NCCC2CC2)c1 ZINC000864467358 584008554 /nfs/dbraw/zinc/00/85/54/584008554.db2.gz XAZXTZGWCFPBCQ-UHFFFAOYSA-N 2 2 235.335 0.877 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000897680839 584038574 /nfs/dbraw/zinc/03/85/74/584038574.db2.gz WVWAKOUMYUQMRQ-MWLCHTKSSA-N 2 2 221.304 0.785 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000897680839 584038577 /nfs/dbraw/zinc/03/85/77/584038577.db2.gz WVWAKOUMYUQMRQ-MWLCHTKSSA-N 2 2 221.304 0.785 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000897680838 584038685 /nfs/dbraw/zinc/03/86/85/584038685.db2.gz WVWAKOUMYUQMRQ-KOLCDFICSA-N 2 2 221.304 0.785 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000897680838 584038686 /nfs/dbraw/zinc/03/86/86/584038686.db2.gz WVWAKOUMYUQMRQ-KOLCDFICSA-N 2 2 221.304 0.785 20 0 BCADLP CC(C)n1c[nH+]cc1C[NH2+][C@@]1(C)CCNC1=O ZINC000897868891 584055054 /nfs/dbraw/zinc/05/50/54/584055054.db2.gz NLOOVWQPDDUMBE-LBPRGKRZSA-N 2 2 236.319 0.832 20 0 BCADLP CCn1c[nH+]cc1C[NH2+][C@]1(C)CCNC1=O ZINC000897868960 584055619 /nfs/dbraw/zinc/05/56/19/584055619.db2.gz OCVZRTMKYVHPDV-LLVKDONJSA-N 2 2 222.292 0.271 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CC(CCO)C1 ZINC000898008814 584071019 /nfs/dbraw/zinc/07/10/19/584071019.db2.gz VVPDLKHXYICVID-HBIQZDMRSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CC(CCO)C1 ZINC000898008814 584071020 /nfs/dbraw/zinc/07/10/20/584071020.db2.gz VVPDLKHXYICVID-HBIQZDMRSA-N 2 2 212.337 0.687 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CC[C@@H](O)C2CC2)C1 ZINC000898202938 584090092 /nfs/dbraw/zinc/09/00/92/584090092.db2.gz GAEXNIMUOFGKJB-CHWSQXEVSA-N 2 2 242.363 0.458 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+]CC[C@@H](O)C2CC2)C1 ZINC000898202938 584090095 /nfs/dbraw/zinc/09/00/95/584090095.db2.gz GAEXNIMUOFGKJB-CHWSQXEVSA-N 2 2 242.363 0.458 20 0 BCADLP CCC[N@H+](C)CC(=O)NC1=[NH+]CCS1 ZINC000730104934 584123912 /nfs/dbraw/zinc/12/39/12/584123912.db2.gz WJJIGFGZHFGJGQ-UHFFFAOYSA-N 2 2 215.322 0.547 20 0 BCADLP CCC[N@@H+](C)CC(=O)NC1=[NH+]CCS1 ZINC000730104934 584123913 /nfs/dbraw/zinc/12/39/13/584123913.db2.gz WJJIGFGZHFGJGQ-UHFFFAOYSA-N 2 2 215.322 0.547 20 0 BCADLP C[NH+](C)C1(C(=O)N2CC([NH+]3CCCC3)C2)CC1 ZINC000898600623 584145216 /nfs/dbraw/zinc/14/52/16/584145216.db2.gz CYESPVOVEPVXLL-UHFFFAOYSA-N 2 2 237.347 0.387 20 0 BCADLP C[NH+](C)CC1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CC1 ZINC000898811083 584160281 /nfs/dbraw/zinc/16/02/81/584160281.db2.gz QMKJUNLQLNFORU-SNVBAGLBSA-N 2 2 248.330 0.786 20 0 BCADLP C[NH+](C)CCCNC(=O)CNc1cccc[nH+]1 ZINC000899920965 584252528 /nfs/dbraw/zinc/25/25/28/584252528.db2.gz WJPWVKHGLCTWTP-UHFFFAOYSA-N 2 2 236.319 0.561 20 0 BCADLP C[C@@H](C[C@H]1CCOC1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000858598074 588970259 /nfs/dbraw/zinc/97/02/59/588970259.db2.gz BMMFJBGOTMOIPP-XQQFMLRXSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H](C[C@H]1CCOC1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000858598074 588970260 /nfs/dbraw/zinc/97/02/60/588970260.db2.gz BMMFJBGOTMOIPP-XQQFMLRXSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC000900163970 584281915 /nfs/dbraw/zinc/28/19/15/584281915.db2.gz WJAANPXZJWSQIP-MRVPVSSYSA-N 2 2 210.281 0.019 20 0 BCADLP C[C@H](CNC(=O)Cc1c[nH+]c[nH]1)[NH+](C)C ZINC000900163970 584281916 /nfs/dbraw/zinc/28/19/16/584281916.db2.gz WJAANPXZJWSQIP-MRVPVSSYSA-N 2 2 210.281 0.019 20 0 BCADLP C[NH+](C)[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000900280893 584291317 /nfs/dbraw/zinc/29/13/17/584291317.db2.gz CATIHMGDNQSFKK-NSHDSACASA-N 2 2 236.319 0.409 20 0 BCADLP C[NH+](C)[C@@H](CNC(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000900280893 584291318 /nfs/dbraw/zinc/29/13/18/584291318.db2.gz CATIHMGDNQSFKK-NSHDSACASA-N 2 2 236.319 0.409 20 0 BCADLP C[NH+](C)[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000900280892 584291477 /nfs/dbraw/zinc/29/14/77/584291477.db2.gz CATIHMGDNQSFKK-LLVKDONJSA-N 2 2 236.319 0.409 20 0 BCADLP C[NH+](C)[C@H](CNC(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC000900280892 584291480 /nfs/dbraw/zinc/29/14/80/584291480.db2.gz CATIHMGDNQSFKK-LLVKDONJSA-N 2 2 236.319 0.409 20 0 BCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000900518912 584320674 /nfs/dbraw/zinc/32/06/74/584320674.db2.gz GCOFAVKUDYCWFS-GFCCVEGCSA-N 2 2 248.330 0.649 20 0 BCADLP CCC[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900555025 584322183 /nfs/dbraw/zinc/32/21/83/584322183.db2.gz BVUSTIQLQILJSN-UHFFFAOYSA-N 2 2 236.319 0.506 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900618378 584332354 /nfs/dbraw/zinc/33/23/54/584332354.db2.gz JYNIDIKNXJRLOJ-GXFFZTMASA-N 2 2 249.314 0.206 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900618378 584332355 /nfs/dbraw/zinc/33/23/55/584332355.db2.gz JYNIDIKNXJRLOJ-GXFFZTMASA-N 2 2 249.314 0.206 20 0 BCADLP C[N@@H+]1CCOC[C@@H]1CNc1cc[nH+]c(CO)c1 ZINC000858770119 588976204 /nfs/dbraw/zinc/97/62/04/588976204.db2.gz KIEJTTUHYRUFSS-LBPRGKRZSA-N 2 2 237.303 0.316 20 0 BCADLP C[N@H+]1CCOC[C@@H]1CNc1cc[nH+]c(CO)c1 ZINC000858770119 588976205 /nfs/dbraw/zinc/97/62/05/588976205.db2.gz KIEJTTUHYRUFSS-LBPRGKRZSA-N 2 2 237.303 0.316 20 0 BCADLP C[N@@H+]1CCOC[C@H]1CNc1cc[nH+]c(CO)c1 ZINC000858770118 588976452 /nfs/dbraw/zinc/97/64/52/588976452.db2.gz KIEJTTUHYRUFSS-GFCCVEGCSA-N 2 2 237.303 0.316 20 0 BCADLP C[N@H+]1CCOC[C@H]1CNc1cc[nH+]c(CO)c1 ZINC000858770118 588976453 /nfs/dbraw/zinc/97/64/53/588976453.db2.gz KIEJTTUHYRUFSS-GFCCVEGCSA-N 2 2 237.303 0.316 20 0 BCADLP C[C@H]1C[C@H](NC(=O)Cc2c[nH+]c[nH]2)C[N@@H+]1C1CC1 ZINC000900995296 584374781 /nfs/dbraw/zinc/37/47/81/584374781.db2.gz KKHXNMVBZMCTGF-ONGXEEELSA-N 2 2 248.330 0.694 20 0 BCADLP C[C@H]1C[C@H](NC(=O)Cc2c[nH+]c[nH]2)C[N@H+]1C1CC1 ZINC000900995296 584374783 /nfs/dbraw/zinc/37/47/83/584374783.db2.gz KKHXNMVBZMCTGF-ONGXEEELSA-N 2 2 248.330 0.694 20 0 BCADLP C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[N@@H+]1C1CC1 ZINC000900995296 584374785 /nfs/dbraw/zinc/37/47/85/584374785.db2.gz KKHXNMVBZMCTGF-ONGXEEELSA-N 2 2 248.330 0.694 20 0 BCADLP C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[N@H+]1C1CC1 ZINC000900995296 584374787 /nfs/dbraw/zinc/37/47/87/584374787.db2.gz KKHXNMVBZMCTGF-ONGXEEELSA-N 2 2 248.330 0.694 20 0 BCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901305701 584419766 /nfs/dbraw/zinc/41/97/66/584419766.db2.gz ITUUXIBAJRVRRY-UWVGGRQHSA-N 2 2 236.319 0.503 20 0 BCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901305701 584419768 /nfs/dbraw/zinc/41/97/68/584419768.db2.gz ITUUXIBAJRVRRY-UWVGGRQHSA-N 2 2 236.319 0.503 20 0 BCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901305703 584420106 /nfs/dbraw/zinc/42/01/06/584420106.db2.gz ITUUXIBAJRVRRY-VHSXEESVSA-N 2 2 236.319 0.503 20 0 BCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901305703 584420108 /nfs/dbraw/zinc/42/01/08/584420108.db2.gz ITUUXIBAJRVRRY-VHSXEESVSA-N 2 2 236.319 0.503 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901288969 584422821 /nfs/dbraw/zinc/42/28/21/584422821.db2.gz YOVRTXFPUVYUBH-NXEZZACHSA-N 2 2 236.319 0.503 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901288969 584422822 /nfs/dbraw/zinc/42/28/22/584422822.db2.gz YOVRTXFPUVYUBH-NXEZZACHSA-N 2 2 236.319 0.503 20 0 BCADLP C[N@@H+]1CC[C@H]([NH2+]CC2([NH3+])CC2)[C@H]2CCC[C@@H]21 ZINC000902403604 584588112 /nfs/dbraw/zinc/58/81/12/584588112.db2.gz ADXBKRRBSLLXCP-WOPDTQHZSA-N 3 2 223.364 0.940 20 0 BCADLP C[N@H+]1CC[C@H]([NH2+]CC2([NH3+])CC2)[C@H]2CCC[C@@H]21 ZINC000902403604 584588115 /nfs/dbraw/zinc/58/81/15/584588115.db2.gz ADXBKRRBSLLXCP-WOPDTQHZSA-N 3 2 223.364 0.940 20 0 BCADLP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902440828 584597281 /nfs/dbraw/zinc/59/72/81/584597281.db2.gz APBPXNRDBSSDRY-QWRGUYRKSA-N 3 2 229.368 0.328 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902442026 584597981 /nfs/dbraw/zinc/59/79/81/584597981.db2.gz GZTOWPOAVWEDPE-XTWCZFFVSA-N 2 2 233.315 0.465 20 0 BCADLP C[C@H](Cc1cnccn1)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902443258 584598244 /nfs/dbraw/zinc/59/82/44/584598244.db2.gz KWSCTGVNHULJHT-ZYHUDNBSSA-N 2 2 234.347 0.995 20 0 BCADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cnn(C)c1 ZINC000902475312 584602833 /nfs/dbraw/zinc/60/28/33/584602833.db2.gz IFDKDDGSIGVVKD-KXGXSXBTSA-N 2 2 220.320 0.964 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902449752 584606425 /nfs/dbraw/zinc/60/64/25/584606425.db2.gz PUWJFGFFRCAPRJ-IVZWLZJFSA-N 2 2 200.326 0.997 20 0 BCADLP COc1nn(C)cc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000902456429 584610433 /nfs/dbraw/zinc/61/04/33/584610433.db2.gz ORQOLCUYZLWTQK-VHSXEESVSA-N 2 2 224.308 0.398 20 0 BCADLP CC1(C)CCC[C@@H](C[NH2+][C@@H]2C[NH2+]CCOC2)O1 ZINC000902460869 584611448 /nfs/dbraw/zinc/61/14/48/584611448.db2.gz JRFYNECGWHLWEI-NEPJUHHUSA-N 2 2 242.363 0.912 20 0 BCADLP Cn1cnc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000902462979 584612505 /nfs/dbraw/zinc/61/25/05/584612505.db2.gz YLMPJBHIFKXFDR-GHMZBOCLSA-N 2 2 220.320 0.780 20 0 BCADLP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000902490800 584618019 /nfs/dbraw/zinc/61/80/19/584618019.db2.gz VXTQQVDWLNHTRL-BQUFFADESA-N 3 2 239.363 0.080 20 0 BCADLP C[C@H](CS(C)(=O)=O)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902485335 584624838 /nfs/dbraw/zinc/62/48/38/584624838.db2.gz ZZGCMANLQFHJML-GHMZBOCLSA-N 2 2 248.392 0.541 20 0 BCADLP C[NH+](C)C1(C[NH2+][C@H]2CCO[C@@]23CCOC3)CC1 ZINC000903189638 584736009 /nfs/dbraw/zinc/73/60/09/584736009.db2.gz FHOXZMXTISYGBQ-WCQYABFASA-N 2 2 240.347 0.618 20 0 BCADLP C[C@@H]1[C@H]([NH2+]C2CCN(C=O)CC2)CC[N@@H+]1C ZINC000903300660 584743801 /nfs/dbraw/zinc/74/38/01/584743801.db2.gz KLZMVBVWGLJOAJ-ZYHUDNBSSA-N 2 2 225.336 0.289 20 0 BCADLP C[C@@H]1[C@H]([NH2+]C2CCN(C=O)CC2)CC[N@H+]1C ZINC000903300660 584743802 /nfs/dbraw/zinc/74/38/02/584743802.db2.gz KLZMVBVWGLJOAJ-ZYHUDNBSSA-N 2 2 225.336 0.289 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CCN1C ZINC000903324978 584747365 /nfs/dbraw/zinc/74/73/65/584747365.db2.gz WNPKMCVCUFUGDF-RTXFEEFZSA-N 2 2 223.364 0.763 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CCN1C ZINC000903324978 584747366 /nfs/dbraw/zinc/74/73/66/584747366.db2.gz WNPKMCVCUFUGDF-RTXFEEFZSA-N 2 2 223.364 0.763 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CC(=O)NC(C)(C)C ZINC000903425934 584760837 /nfs/dbraw/zinc/76/08/37/584760837.db2.gz BAXHUWVHDPTALJ-MNOVXSKESA-N 2 2 241.379 0.688 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000903425934 584760838 /nfs/dbraw/zinc/76/08/38/584760838.db2.gz BAXHUWVHDPTALJ-MNOVXSKESA-N 2 2 241.379 0.688 20 0 BCADLP C[C@](C[NH3+])([NH2+]Cc1cnns1)C1CC1 ZINC000903426092 584760992 /nfs/dbraw/zinc/76/09/92/584760992.db2.gz HALLQLMBBVEAKE-SECBINFHSA-N 2 2 212.322 0.755 20 0 BCADLP CNC(=O)CC1CC[NH+](C[C@H]2CCC[NH2+]2)CC1 ZINC000903439304 584762859 /nfs/dbraw/zinc/76/28/59/584762859.db2.gz FGHYASFDINIQAS-GFCCVEGCSA-N 2 2 239.363 0.587 20 0 BCADLP COC[C@@](C)(CC(=O)OC)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000903459010 584765926 /nfs/dbraw/zinc/76/59/26/584765926.db2.gz PIXHLGUIXFWKFX-ZYHUDNBSSA-N 2 2 244.335 0.296 20 0 BCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cnns1 ZINC000903459563 584766156 /nfs/dbraw/zinc/76/61/56/584766156.db2.gz LHQHAAOZXFQSGO-RKDXNWHRSA-N 2 2 212.322 0.898 20 0 BCADLP C(C[N@H+](C1CC1)[C@@H]1CC[NH2+]C1)OC1CC1 ZINC000903445570 584769843 /nfs/dbraw/zinc/76/98/43/584769843.db2.gz LZQQUQFMDKHTTN-LLVKDONJSA-N 2 2 210.321 0.992 20 0 BCADLP C(C[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1)OC1CC1 ZINC000903445570 584769844 /nfs/dbraw/zinc/76/98/44/584769844.db2.gz LZQQUQFMDKHTTN-LLVKDONJSA-N 2 2 210.321 0.992 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000903455285 584773914 /nfs/dbraw/zinc/77/39/14/584773914.db2.gz SJXMXSLCHDFKQS-VWYCJHECSA-N 3 2 213.369 0.805 20 0 BCADLP CCC[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903457120 584773929 /nfs/dbraw/zinc/77/39/29/584773929.db2.gz OFQAPMHRBVVROQ-GRYCIOLGSA-N 2 2 239.363 0.442 20 0 BCADLP CCC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903457120 584773930 /nfs/dbraw/zinc/77/39/30/584773930.db2.gz OFQAPMHRBVVROQ-GRYCIOLGSA-N 2 2 239.363 0.442 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000903455284 584774291 /nfs/dbraw/zinc/77/42/91/584774291.db2.gz SJXMXSLCHDFKQS-OUAUKWLOSA-N 3 2 213.369 0.805 20 0 BCADLP c1ncn(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)n1 ZINC000903470884 584775536 /nfs/dbraw/zinc/77/55/36/584775536.db2.gz OYYRGRLVUATPMV-SNVBAGLBSA-N 2 2 221.308 0.152 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903470814 584775622 /nfs/dbraw/zinc/77/56/22/584775622.db2.gz DHCQAKAFKBADCD-GRYCIOLGSA-N 3 2 223.364 0.716 20 0 BCADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C(N)=O ZINC000903471977 584775939 /nfs/dbraw/zinc/77/59/39/584775939.db2.gz ODHXHIQKAAGFFC-BDAKNGLRSA-N 2 2 211.309 0.125 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1CN(C)Cc1[nH]cc[nH+]1 ZINC000903476412 584777411 /nfs/dbraw/zinc/77/74/11/584777411.db2.gz WBRKAMRYFBJCNX-ZJUUUORDSA-N 2 2 208.309 0.697 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000903478718 584778359 /nfs/dbraw/zinc/77/83/59/584778359.db2.gz MMDVORRPGZGJNR-UTLUCORTSA-N 2 2 234.290 0.808 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCO[C@H](C(F)F)C1 ZINC000903478718 584778360 /nfs/dbraw/zinc/77/83/60/584778360.db2.gz MMDVORRPGZGJNR-UTLUCORTSA-N 2 2 234.290 0.808 20 0 BCADLP O=C1CC2(CCC2)[N@H+](C[C@H]2CCC[NH2+]2)CCN1 ZINC000903482401 584779106 /nfs/dbraw/zinc/77/91/06/584779106.db2.gz GMAKUBCHQPKSOH-LLVKDONJSA-N 2 2 237.347 0.483 20 0 BCADLP O=C1CC2(CCC2)[N@@H+](C[C@H]2CCC[NH2+]2)CCN1 ZINC000903482401 584779108 /nfs/dbraw/zinc/77/91/08/584779108.db2.gz GMAKUBCHQPKSOH-LLVKDONJSA-N 2 2 237.347 0.483 20 0 BCADLP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H]1CC[NH2+]C1 ZINC000903465158 584779240 /nfs/dbraw/zinc/77/92/40/584779240.db2.gz DYTMKCQTULNAST-MNOVXSKESA-N 3 2 209.337 0.470 20 0 BCADLP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H]1CC[NH2+]C1 ZINC000903465159 584779271 /nfs/dbraw/zinc/77/92/71/584779271.db2.gz DYTMKCQTULNAST-QWRGUYRKSA-N 3 2 209.337 0.470 20 0 BCADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000903527405 584781874 /nfs/dbraw/zinc/78/18/74/584781874.db2.gz YIPYQFRIKBJODO-RYUDHWBXSA-N 2 2 249.362 0.839 20 0 BCADLP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000903527405 584781875 /nfs/dbraw/zinc/78/18/75/584781875.db2.gz YIPYQFRIKBJODO-RYUDHWBXSA-N 2 2 249.362 0.839 20 0 BCADLP CCCCNC(=O)CC[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000903555812 584782693 /nfs/dbraw/zinc/78/26/93/584782693.db2.gz CGSOBHIFBNMLLI-NSHDSACASA-N 2 2 241.379 0.962 20 0 BCADLP CCCCNC(=O)CC[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000903555812 584782696 /nfs/dbraw/zinc/78/26/96/584782696.db2.gz CGSOBHIFBNMLLI-NSHDSACASA-N 2 2 241.379 0.962 20 0 BCADLP Cn1ccc(C[NH2+][C@](C)(C[NH3+])C2CC2)n1 ZINC000903717194 584792221 /nfs/dbraw/zinc/79/22/21/584792221.db2.gz JLJUPXQGQFIDNA-LLVKDONJSA-N 2 2 208.309 0.637 20 0 BCADLP [NH3+]C1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903713367 584793362 /nfs/dbraw/zinc/79/33/62/584793362.db2.gz OLXZYTWRQGGKCO-NSHDSACASA-N 3 2 211.353 0.799 20 0 BCADLP FCCn1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000903747549 584794767 /nfs/dbraw/zinc/79/47/67/584794767.db2.gz TWZROXURJWZMOY-TXEJJXNPSA-N 2 2 238.310 0.504 20 0 BCADLP FCCn1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000903747549 584794768 /nfs/dbraw/zinc/79/47/68/584794768.db2.gz TWZROXURJWZMOY-TXEJJXNPSA-N 2 2 238.310 0.504 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903752750 584795972 /nfs/dbraw/zinc/79/59/72/584795972.db2.gz WGKINCIQGUGJFB-QNWHQSFQSA-N 3 2 239.363 0.177 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903752750 584795973 /nfs/dbraw/zinc/79/59/73/584795973.db2.gz WGKINCIQGUGJFB-QNWHQSFQSA-N 3 2 239.363 0.177 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903752752 584796144 /nfs/dbraw/zinc/79/61/44/584796144.db2.gz WGKINCIQGUGJFB-ZDEQEGDKSA-N 3 2 239.363 0.177 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903752752 584796145 /nfs/dbraw/zinc/79/61/45/584796145.db2.gz WGKINCIQGUGJFB-ZDEQEGDKSA-N 3 2 239.363 0.177 20 0 BCADLP CCn1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)nn1 ZINC000903759565 584796534 /nfs/dbraw/zinc/79/65/34/584796534.db2.gz ALCCGROACQUKAC-UHFFFAOYSA-N 2 2 235.335 0.626 20 0 BCADLP Cc1cc(C)[nH+]c(CN(CC[NH3+])CCO)c1 ZINC000903744538 584796888 /nfs/dbraw/zinc/79/68/88/584796888.db2.gz VEEALVLDYVWGKJ-UHFFFAOYSA-N 2 2 223.320 0.451 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903775072 584799214 /nfs/dbraw/zinc/79/92/14/584799214.db2.gz HGNFZJKMCJGRAP-QJPTWQEYSA-N 3 2 227.352 0.034 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903775072 584799215 /nfs/dbraw/zinc/79/92/15/584799215.db2.gz HGNFZJKMCJGRAP-QJPTWQEYSA-N 3 2 227.352 0.034 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903779161 584799788 /nfs/dbraw/zinc/79/97/88/584799788.db2.gz UYYVCSNXMKEMNZ-UTUOFQBUSA-N 3 2 211.353 0.798 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903779161 584799790 /nfs/dbraw/zinc/79/97/90/584799790.db2.gz UYYVCSNXMKEMNZ-UTUOFQBUSA-N 3 2 211.353 0.798 20 0 BCADLP C1=CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)[NH2+]C1 ZINC000903785216 584800243 /nfs/dbraw/zinc/80/02/43/584800243.db2.gz WVGVGHLXKIXTFC-GFCCVEGCSA-N 2 2 237.347 0.522 20 0 BCADLP c1nnn2c1C[N@H+](C[C@@H]1CCCC[NH2+]C1)CCC2 ZINC000903784073 584800309 /nfs/dbraw/zinc/80/03/09/584800309.db2.gz KPJMFXZDIJNWPI-GFCCVEGCSA-N 2 2 249.362 0.874 20 0 BCADLP c1nnn2c1C[N@@H+](C[C@@H]1CCCC[NH2+]C1)CCC2 ZINC000903784073 584800310 /nfs/dbraw/zinc/80/03/10/584800310.db2.gz KPJMFXZDIJNWPI-GFCCVEGCSA-N 2 2 249.362 0.874 20 0 BCADLP CC1(C)C[NH2+]C[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000903820850 584804091 /nfs/dbraw/zinc/80/40/91/584804091.db2.gz DGTOAYAPEVBBPF-GFCCVEGCSA-N 2 2 247.342 0.873 20 0 BCADLP C[C@@H]1CCOCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000903830934 584805629 /nfs/dbraw/zinc/80/56/29/584805629.db2.gz BQNLJHUBFUEYHJ-MNOVXSKESA-N 2 2 214.309 0.086 20 0 BCADLP C[C@@H]1CCOCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000903830934 584805630 /nfs/dbraw/zinc/80/56/30/584805630.db2.gz BQNLJHUBFUEYHJ-MNOVXSKESA-N 2 2 214.309 0.086 20 0 BCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CC(=O)NC1CC1 ZINC000903850179 584807886 /nfs/dbraw/zinc/80/78/86/584807886.db2.gz LPECNRRWNSEVNM-BXKDBHETSA-N 2 2 223.320 0.078 20 0 BCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CC(=O)NC1CC1 ZINC000903850179 584807887 /nfs/dbraw/zinc/80/78/87/584807887.db2.gz LPECNRRWNSEVNM-BXKDBHETSA-N 2 2 223.320 0.078 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903853557 584808393 /nfs/dbraw/zinc/80/83/93/584808393.db2.gz FXUOGYCLFNPAQJ-YPMHNXCESA-N 2 2 239.363 0.668 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903853557 584808394 /nfs/dbraw/zinc/80/83/94/584808394.db2.gz FXUOGYCLFNPAQJ-YPMHNXCESA-N 2 2 239.363 0.668 20 0 BCADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2C[C@H](O)C(F)(F)F ZINC000903856975 584809964 /nfs/dbraw/zinc/80/99/64/584809964.db2.gz BPHCYXCGFZSXFZ-XHNCKOQMSA-N 2 2 238.253 0.723 20 0 BCADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2C[C@H](O)C(F)(F)F ZINC000903856975 584809966 /nfs/dbraw/zinc/80/99/66/584809966.db2.gz BPHCYXCGFZSXFZ-XHNCKOQMSA-N 2 2 238.253 0.723 20 0 BCADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CC(=O)N1CCCC1 ZINC000903859236 584810588 /nfs/dbraw/zinc/81/05/88/584810588.db2.gz LSCXOELHGXBOBL-WCQYABFASA-N 2 2 237.347 0.422 20 0 BCADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CC(=O)N1CCCC1 ZINC000903859236 584810589 /nfs/dbraw/zinc/81/05/89/584810589.db2.gz LSCXOELHGXBOBL-WCQYABFASA-N 2 2 237.347 0.422 20 0 BCADLP c1cnn(CC[N@@H+]2CCC[C@]23CC[NH2+]C3)c1 ZINC000903865122 584813057 /nfs/dbraw/zinc/81/30/57/584813057.db2.gz AVAVXPXEZINWOW-GFCCVEGCSA-N 2 2 220.320 0.711 20 0 BCADLP c1cnn(CC[N@H+]2CCC[C@]23CC[NH2+]C3)c1 ZINC000903865122 584813058 /nfs/dbraw/zinc/81/30/58/584813058.db2.gz AVAVXPXEZINWOW-GFCCVEGCSA-N 2 2 220.320 0.711 20 0 BCADLP C[N@H+](CCN1CCCC1=O)C[C@H]([NH3+])CC(F)F ZINC000903891749 584814125 /nfs/dbraw/zinc/81/41/25/584814125.db2.gz CIALAMFCVAHKQK-SECBINFHSA-N 2 2 249.305 0.523 20 0 BCADLP C[N@@H+](CCN1CCCC1=O)C[C@H]([NH3+])CC(F)F ZINC000903891749 584814127 /nfs/dbraw/zinc/81/41/27/584814127.db2.gz CIALAMFCVAHKQK-SECBINFHSA-N 2 2 249.305 0.523 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903870685 584814550 /nfs/dbraw/zinc/81/45/50/584814550.db2.gz PIWNNDBZDNYRAG-AGIUHOORSA-N 3 2 223.364 0.670 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903870685 584814552 /nfs/dbraw/zinc/81/45/52/584814552.db2.gz PIWNNDBZDNYRAG-AGIUHOORSA-N 3 2 223.364 0.670 20 0 BCADLP Cn1nccc1CC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869259 584814706 /nfs/dbraw/zinc/81/47/06/584814706.db2.gz FOEGQKCIPWZYOY-ZDUSSCGKSA-N 2 2 234.347 0.791 20 0 BCADLP Cn1nccc1CC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869259 584814707 /nfs/dbraw/zinc/81/47/07/584814707.db2.gz FOEGQKCIPWZYOY-ZDUSSCGKSA-N 2 2 234.347 0.791 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903871424 584815271 /nfs/dbraw/zinc/81/52/71/584815271.db2.gz UKIUKDJJMXXXIM-ZDUSSCGKSA-N 2 2 239.363 0.683 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903871424 584815272 /nfs/dbraw/zinc/81/52/72/584815272.db2.gz UKIUKDJJMXXXIM-ZDUSSCGKSA-N 2 2 239.363 0.683 20 0 BCADLP C[NH2+]CC1CC[NH+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000903874322 584815704 /nfs/dbraw/zinc/81/57/04/584815704.db2.gz XYJKCXXCIYUQLK-SNVBAGLBSA-N 3 2 235.322 0.900 20 0 BCADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@@H]1CO ZINC000903885981 584819129 /nfs/dbraw/zinc/81/91/29/584819129.db2.gz NAYYNWJEQGQNOY-HTQZYQBOSA-N 2 2 208.252 0.426 20 0 BCADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@@H]1CO ZINC000903885981 584819131 /nfs/dbraw/zinc/81/91/31/584819131.db2.gz NAYYNWJEQGQNOY-HTQZYQBOSA-N 2 2 208.252 0.426 20 0 BCADLP NC(=O)C[C@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903898822 584820746 /nfs/dbraw/zinc/82/07/46/584820746.db2.gz QFAMPDGKANIMRG-BDAKNGLRSA-N 2 2 249.305 0.556 20 0 BCADLP NC(=O)C[C@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903898822 584820747 /nfs/dbraw/zinc/82/07/47/584820747.db2.gz QFAMPDGKANIMRG-BDAKNGLRSA-N 2 2 249.305 0.556 20 0 BCADLP CC1(C)C[N@H+](C[C@@H]([NH3+])CC(F)F)C[C@@H]1O ZINC000903912216 584822298 /nfs/dbraw/zinc/82/22/98/584822298.db2.gz BPZRJSCOUHZTRH-YUMQZZPRSA-N 2 2 222.279 0.672 20 0 BCADLP CC1(C)C[N@@H+](C[C@@H]([NH3+])CC(F)F)C[C@@H]1O ZINC000903912216 584822299 /nfs/dbraw/zinc/82/22/99/584822299.db2.gz BPZRJSCOUHZTRH-YUMQZZPRSA-N 2 2 222.279 0.672 20 0 BCADLP CC[N@H+](C[C@@H]([NH3+])CC(F)F)[C@@H]1CCNC1=O ZINC000903915312 584822798 /nfs/dbraw/zinc/82/27/98/584822798.db2.gz AMQMYFXMJQDOFX-JGVFFNPUSA-N 2 2 235.278 0.179 20 0 BCADLP CC[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@@H]1CCNC1=O ZINC000903915312 584822799 /nfs/dbraw/zinc/82/27/99/584822799.db2.gz AMQMYFXMJQDOFX-JGVFFNPUSA-N 2 2 235.278 0.179 20 0 BCADLP C[C@@H](C[NH3+])[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903918739 584823083 /nfs/dbraw/zinc/82/30/83/584823083.db2.gz GSLTXHJGFZSFFC-JTQLQIEISA-N 3 2 219.332 0.769 20 0 BCADLP C([NH2+]C[C@@H]1C[NH2+]CCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903929762 584824343 /nfs/dbraw/zinc/82/43/43/584824343.db2.gz KXYTZXGZYQYEBG-WVMKXHBISA-N 3 2 239.363 0.095 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H]([NH3+])CC(F)F)C[C@H]1C[NH3+] ZINC000903936146 584825556 /nfs/dbraw/zinc/82/55/56/584825556.db2.gz YTLHQIZYDZLRGC-HLTSFMKQSA-N 3 2 221.295 0.496 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H]([NH3+])CC(F)F)C[C@H]1C[NH3+] ZINC000903936146 584825555 /nfs/dbraw/zinc/82/55/55/584825555.db2.gz YTLHQIZYDZLRGC-HLTSFMKQSA-N 3 2 221.295 0.496 20 0 BCADLP Cn1nncc1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959567 584827889 /nfs/dbraw/zinc/82/78/89/584827889.db2.gz JWAJSOCRKOKDJR-CYBMUJFWSA-N 2 2 249.362 0.781 20 0 BCADLP Cn1nncc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959567 584827890 /nfs/dbraw/zinc/82/78/90/584827890.db2.gz JWAJSOCRKOKDJR-CYBMUJFWSA-N 2 2 249.362 0.781 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000903960633 584828189 /nfs/dbraw/zinc/82/81/89/584828189.db2.gz RVTBFYIILZDGLY-BXKDBHETSA-N 2 2 233.315 0.483 20 0 BCADLP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1cc[nH]n1 ZINC000903955319 584832091 /nfs/dbraw/zinc/83/20/91/584832091.db2.gz PAKNPFKVAJELDQ-QMMMGPOBSA-N 2 2 230.262 0.744 20 0 BCADLP Cc1nc([C@@H]2CC[N@H+](CC(C)(C)[NH3+])C2)no1 ZINC000903978945 584833078 /nfs/dbraw/zinc/83/30/78/584833078.db2.gz PEUKNQKUTYHAOV-SECBINFHSA-N 2 2 224.308 0.905 20 0 BCADLP Cc1nc([C@@H]2CC[N@@H+](CC(C)(C)[NH3+])C2)no1 ZINC000903978945 584833079 /nfs/dbraw/zinc/83/30/79/584833079.db2.gz PEUKNQKUTYHAOV-SECBINFHSA-N 2 2 224.308 0.905 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccc(N)nc1 ZINC000903964412 584834232 /nfs/dbraw/zinc/83/42/32/584834232.db2.gz PUMKOVUCDIZGKN-PSASIEDQSA-N 2 2 206.293 0.361 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903968154 584834885 /nfs/dbraw/zinc/83/48/85/584834885.db2.gz RDIIMAZPPANFJO-GRYCIOLGSA-N 3 2 213.369 0.805 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000903968423 584835035 /nfs/dbraw/zinc/83/50/35/584835035.db2.gz VWZJWEIEFMLMBQ-ZYGVAYEYSA-N 3 2 209.337 0.184 20 0 BCADLP C[C@H]1C[N@H+](Cc2ccc(N)nn2)CC[C@@H]1[NH3+] ZINC000904299322 584860006 /nfs/dbraw/zinc/86/00/06/584860006.db2.gz BEOZACHANBJFGS-WPRPVWTQSA-N 2 2 221.308 0.228 20 0 BCADLP C[C@H]1C[N@@H+](Cc2ccc(N)nn2)CC[C@@H]1[NH3+] ZINC000904299322 584860007 /nfs/dbraw/zinc/86/00/07/584860007.db2.gz BEOZACHANBJFGS-WPRPVWTQSA-N 2 2 221.308 0.228 20 0 BCADLP [NH3+]Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000904300184 584861100 /nfs/dbraw/zinc/86/11/00/584861100.db2.gz YFWMJXAREKNWDA-LBPRGKRZSA-N 3 2 205.305 0.678 20 0 BCADLP [NH3+]Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000904300184 584861101 /nfs/dbraw/zinc/86/11/01/584861101.db2.gz YFWMJXAREKNWDA-LBPRGKRZSA-N 3 2 205.305 0.678 20 0 BCADLP CC[N@H+](CC(=O)N(C)C)C[C@]1(C)CCC[NH2+]C1 ZINC000904307415 584862591 /nfs/dbraw/zinc/86/25/91/584862591.db2.gz ACEBJLVFMREUEG-CYBMUJFWSA-N 2 2 241.379 0.786 20 0 BCADLP CC[N@@H+](CC(=O)N(C)C)C[C@]1(C)CCC[NH2+]C1 ZINC000904307415 584862592 /nfs/dbraw/zinc/86/25/92/584862592.db2.gz ACEBJLVFMREUEG-CYBMUJFWSA-N 2 2 241.379 0.786 20 0 BCADLP CCC[N@H+](CC(=O)NC)C[C@]1(C)CCC[NH2+]C1 ZINC000904313745 584863580 /nfs/dbraw/zinc/86/35/80/584863580.db2.gz ZGSYBFCATVKJQB-CYBMUJFWSA-N 2 2 241.379 0.834 20 0 BCADLP CCC[N@@H+](CC(=O)NC)C[C@]1(C)CCC[NH2+]C1 ZINC000904313745 584863581 /nfs/dbraw/zinc/86/35/81/584863581.db2.gz ZGSYBFCATVKJQB-CYBMUJFWSA-N 2 2 241.379 0.834 20 0 BCADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(N)nn2)CC[N@@H+]1C ZINC000904322880 584864801 /nfs/dbraw/zinc/86/48/01/584864801.db2.gz JMURPEBGKBGLOD-CMPLNLGQSA-N 2 2 249.362 0.973 20 0 BCADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(N)nn2)CC[N@H+]1C ZINC000904322880 584864802 /nfs/dbraw/zinc/86/48/02/584864802.db2.gz JMURPEBGKBGLOD-CMPLNLGQSA-N 2 2 249.362 0.973 20 0 BCADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(N)nn2)CC[NH+]1C ZINC000904322880 584864803 /nfs/dbraw/zinc/86/48/03/584864803.db2.gz JMURPEBGKBGLOD-CMPLNLGQSA-N 2 2 249.362 0.973 20 0 BCADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(N)nn2)CC[NH+]1C ZINC000904322880 584864804 /nfs/dbraw/zinc/86/48/04/584864804.db2.gz JMURPEBGKBGLOD-CMPLNLGQSA-N 2 2 249.362 0.973 20 0 BCADLP C[C@@]1(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)CCC[NH2+]C1 ZINC000904349962 584869061 /nfs/dbraw/zinc/86/90/61/584869061.db2.gz FDTOSTIMJXQBRY-FRRDWIJNSA-N 2 2 240.347 0.476 20 0 BCADLP C[C@@]1(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)CCC[NH2+]C1 ZINC000904349962 584869062 /nfs/dbraw/zinc/86/90/62/584869062.db2.gz FDTOSTIMJXQBRY-FRRDWIJNSA-N 2 2 240.347 0.476 20 0 BCADLP C[C@]1(C[N@@H+]2CC[C@@](F)(CO)C2)CCC[NH2+]C1 ZINC000904351509 584869360 /nfs/dbraw/zinc/86/93/60/584869360.db2.gz XGBUXWUZTJECEV-RYUDHWBXSA-N 2 2 230.327 0.782 20 0 BCADLP C[C@]1(C[N@H+]2CC[C@@](F)(CO)C2)CCC[NH2+]C1 ZINC000904351509 584869361 /nfs/dbraw/zinc/86/93/61/584869361.db2.gz XGBUXWUZTJECEV-RYUDHWBXSA-N 2 2 230.327 0.782 20 0 BCADLP C[C@@]1(C[NH2+]C[C@@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000904353768 584870136 /nfs/dbraw/zinc/87/01/36/584870136.db2.gz QVYIEPBSVXGZDD-NWDGAFQWSA-N 3 2 211.353 0.718 20 0 BCADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(N)nn1 ZINC000904354025 584870352 /nfs/dbraw/zinc/87/03/52/584870352.db2.gz UJMWSPAKHWAONQ-SNVBAGLBSA-N 2 2 223.324 0.522 20 0 BCADLP Nc1ccc(C[NH2+]CC2([NH3+])CCCCC2)nn1 ZINC000904354037 584870395 /nfs/dbraw/zinc/87/03/95/584870395.db2.gz URDLINIFBJHXDL-UHFFFAOYSA-N 2 2 235.335 0.810 20 0 BCADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(N)nn2)CC[NH2+]1 ZINC000904355394 584870814 /nfs/dbraw/zinc/87/08/14/584870814.db2.gz NANRGLZAJTXFOD-DTWKUNHWSA-N 2 2 221.308 0.289 20 0 BCADLP C[C@H](C[NH3+])[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1 ZINC000904355764 584871461 /nfs/dbraw/zinc/87/14/61/584871461.db2.gz RVTLOPBLDUTZGS-SNVBAGLBSA-N 3 2 238.335 0.126 20 0 BCADLP C[C@H](O)[C@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000904373505 584873640 /nfs/dbraw/zinc/87/36/40/584873640.db2.gz RJWPXPNPVQMQKN-YNEHKIRRSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H](O)[C@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000904373505 584873641 /nfs/dbraw/zinc/87/36/41/584873641.db2.gz RJWPXPNPVQMQKN-YNEHKIRRSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H](O)[C@H]1C[N@H+](C[C@@]2(C)CCC[NH2+]C2)CCO1 ZINC000904373504 584873990 /nfs/dbraw/zinc/87/39/90/584873990.db2.gz RJWPXPNPVQMQKN-XQQFMLRXSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H](O)[C@H]1C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CCO1 ZINC000904373504 584873991 /nfs/dbraw/zinc/87/39/91/584873991.db2.gz RJWPXPNPVQMQKN-XQQFMLRXSA-N 2 2 242.363 0.458 20 0 BCADLP C([C@@H]1CCSC1)N1CC[NH2+]CC[NH2+]CC1 ZINC000904397091 584875179 /nfs/dbraw/zinc/87/51/79/584875179.db2.gz YKHUFZHSYBTGCD-NSHDSACASA-N 2 2 229.393 0.234 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(N)nn1 ZINC000904376415 584876413 /nfs/dbraw/zinc/87/64/13/584876413.db2.gz RPNQNMDGABADMR-BDAKNGLRSA-N 2 2 221.308 0.370 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(N)nn1 ZINC000904376415 584876414 /nfs/dbraw/zinc/87/64/14/584876414.db2.gz RPNQNMDGABADMR-BDAKNGLRSA-N 2 2 221.308 0.370 20 0 BCADLP C[NH2+]C[C@H](C)NCc1[nH+]ccn1C1CC1 ZINC000904379772 584876621 /nfs/dbraw/zinc/87/66/21/584876621.db2.gz WKOQBGWFXWALDP-VIFPVBQESA-N 2 2 208.309 0.916 20 0 BCADLP c1cn(C2CC2)c(CNC[C@H]2COCC[NH2+]2)[nH+]1 ZINC000904381427 584876906 /nfs/dbraw/zinc/87/69/06/584876906.db2.gz OUMLRXCNNBHPJC-JTQLQIEISA-N 2 2 236.319 0.296 20 0 BCADLP C[C@@]1(C[NH2+]CC2([NH3+])CCOCC2)CCC[NH2+]C1 ZINC000904380736 584876911 /nfs/dbraw/zinc/87/69/11/584876911.db2.gz OTLFMEZLRDIVQO-GFCCVEGCSA-N 3 2 241.379 0.474 20 0 BCADLP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000904384525 584877482 /nfs/dbraw/zinc/87/74/82/584877482.db2.gz MEESJXMSYKOOJE-TUAOUCFPSA-N 2 2 244.379 0.568 20 0 BCADLP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000904384525 584877483 /nfs/dbraw/zinc/87/74/83/584877483.db2.gz MEESJXMSYKOOJE-TUAOUCFPSA-N 2 2 244.379 0.568 20 0 BCADLP [NH3+]CC[C@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000904407103 584878575 /nfs/dbraw/zinc/87/85/75/584878575.db2.gz NINXIFABNRYCJC-UNXYVOJBSA-N 3 2 209.337 0.409 20 0 BCADLP [NH3+]CC[C@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000904407103 584878577 /nfs/dbraw/zinc/87/85/77/584878577.db2.gz NINXIFABNRYCJC-UNXYVOJBSA-N 3 2 209.337 0.409 20 0 BCADLP Cc1cc(NC(=O)N[C@H]2C[C@H](C[NH3+])C2)c(C)c[nH+]1 ZINC000904397633 584880332 /nfs/dbraw/zinc/88/03/32/584880332.db2.gz HPDBRIDEYGEOJK-XYPYZODXSA-N 2 2 248.330 0.979 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000904397517 584880367 /nfs/dbraw/zinc/88/03/67/584880367.db2.gz DEXAIHHUUVNPGS-NSHDSACASA-N 2 2 248.330 0.931 20 0 BCADLP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CNOC2)CC1 ZINC000904424748 584880938 /nfs/dbraw/zinc/88/09/38/584880938.db2.gz MGQWODVXJJLCGO-GFCCVEGCSA-N 2 2 225.336 0.354 20 0 BCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)C1CC1 ZINC000825749338 584892144 /nfs/dbraw/zinc/89/21/44/584892144.db2.gz QTXYNCKBZFKWIX-VIFPVBQESA-N 2 2 236.319 0.551 20 0 BCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)C1CC1 ZINC000825749338 584892145 /nfs/dbraw/zinc/89/21/45/584892145.db2.gz QTXYNCKBZFKWIX-VIFPVBQESA-N 2 2 236.319 0.551 20 0 BCADLP O=C1OCC[C@@H]1[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000731847029 584929497 /nfs/dbraw/zinc/92/94/97/584929497.db2.gz BAOBXURYOHRVQK-NSHDSACASA-N 2 2 235.287 0.836 20 0 BCADLP C[C@H]1CN(C)C(=O)C[N@@H+]1CCc1c[nH+]cn1C ZINC000838959383 585080844 /nfs/dbraw/zinc/08/08/44/585080844.db2.gz COAIKGLNBWVWJM-JTQLQIEISA-N 2 2 236.319 0.125 20 0 BCADLP C[C@H]1CN(C)C(=O)C[N@H+]1CCc1c[nH+]cn1C ZINC000838959383 585080845 /nfs/dbraw/zinc/08/08/45/585080845.db2.gz COAIKGLNBWVWJM-JTQLQIEISA-N 2 2 236.319 0.125 20 0 BCADLP COCC[NH+]1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000748048901 585186805 /nfs/dbraw/zinc/18/68/05/585186805.db2.gz ZBJLPYBCRZXWDZ-JTQLQIEISA-N 2 2 243.376 0.742 20 0 BCADLP C[N@@H+](Cc1cn[nH]c1)C[C@@H](O)C[NH+]1CCCC1 ZINC000749366949 585201565 /nfs/dbraw/zinc/20/15/65/585201565.db2.gz XAWJNRQWNRWKDX-GFCCVEGCSA-N 2 2 238.335 0.298 20 0 BCADLP C[N@H+](Cc1cn[nH]c1)C[C@@H](O)C[NH+]1CCCC1 ZINC000749366949 585201566 /nfs/dbraw/zinc/20/15/66/585201566.db2.gz XAWJNRQWNRWKDX-GFCCVEGCSA-N 2 2 238.335 0.298 20 0 BCADLP Cc1[nH+]ccn1-c1ncccc1CNC(N)=[NH2+] ZINC000750544531 585217121 /nfs/dbraw/zinc/21/71/21/585217121.db2.gz HSWWWCZSZMMZEH-UHFFFAOYSA-N 2 2 230.275 0.559 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CN2CCCC2=O)C1 ZINC000755788503 585307316 /nfs/dbraw/zinc/30/73/16/585307316.db2.gz IFZSUFFFMBJZAX-NSHDSACASA-N 2 2 248.330 0.789 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CN2CCCC2=O)C1 ZINC000755788503 585307317 /nfs/dbraw/zinc/30/73/17/585307317.db2.gz IFZSUFFFMBJZAX-NSHDSACASA-N 2 2 248.330 0.789 20 0 BCADLP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@@H+](C)C2)CC1 ZINC000756113364 585314753 /nfs/dbraw/zinc/31/47/53/585314753.db2.gz HPLDOCMRHQTTHW-WXRRBKDZSA-N 2 2 239.363 0.727 20 0 BCADLP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@H+](C)C2)CC1 ZINC000756113364 585314754 /nfs/dbraw/zinc/31/47/54/585314754.db2.gz HPLDOCMRHQTTHW-WXRRBKDZSA-N 2 2 239.363 0.727 20 0 BCADLP CN(C)c1cc[nH+]c(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000757921209 585347006 /nfs/dbraw/zinc/34/70/06/585347006.db2.gz SOLACKGHCOONKC-UHFFFAOYSA-N 2 2 232.291 0.902 20 0 BCADLP Cn1cc[nH+]c1N1CC[NH+](CCF)CC1 ZINC000760874432 585400635 /nfs/dbraw/zinc/40/06/35/585400635.db2.gz HZZJANSLTULKQB-UHFFFAOYSA-N 2 2 212.272 0.512 20 0 BCADLP C[NH+](C)C1(C(=O)NCc2c[nH+]c[nH]2)CCC1 ZINC000763052979 585442430 /nfs/dbraw/zinc/44/24/30/585442430.db2.gz QTXPSEXEJLJOJR-UHFFFAOYSA-N 2 2 222.292 0.510 20 0 BCADLP C[NH+](C)C1(C(=O)NCc2c[nH]c[nH+]2)CCC1 ZINC000763052979 585442431 /nfs/dbraw/zinc/44/24/31/585442431.db2.gz QTXPSEXEJLJOJR-UHFFFAOYSA-N 2 2 222.292 0.510 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000769414770 585555794 /nfs/dbraw/zinc/55/57/94/585555794.db2.gz JTISEBVCIZGLEE-STQMWFEESA-N 2 2 244.379 0.705 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000769414770 585555795 /nfs/dbraw/zinc/55/57/95/585555795.db2.gz JTISEBVCIZGLEE-STQMWFEESA-N 2 2 244.379 0.705 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C1CC(C(F)F)C1 ZINC000769516880 585558602 /nfs/dbraw/zinc/55/86/02/585558602.db2.gz KKXLZCREFJRYGZ-ILDUYXDCSA-N 2 2 247.333 0.866 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C1CC(C(F)F)C1 ZINC000769516880 585558603 /nfs/dbraw/zinc/55/86/03/585558603.db2.gz KKXLZCREFJRYGZ-ILDUYXDCSA-N 2 2 247.333 0.866 20 0 BCADLP CC[N@@H+]1CCO[C@@H](C(=O)OCCC[NH+](C)C)C1 ZINC000805471970 585624343 /nfs/dbraw/zinc/62/43/43/585624343.db2.gz YVTGDBOFTVGLNW-LLVKDONJSA-N 2 2 244.335 0.202 20 0 BCADLP CC[N@H+]1CCO[C@@H](C(=O)OCCC[NH+](C)C)C1 ZINC000805471970 585624344 /nfs/dbraw/zinc/62/43/44/585624344.db2.gz YVTGDBOFTVGLNW-LLVKDONJSA-N 2 2 244.335 0.202 20 0 BCADLP O=CN1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000774162313 585652492 /nfs/dbraw/zinc/65/24/92/585652492.db2.gz HPPUGXXWTCFOKB-GFCCVEGCSA-N 2 2 237.347 0.434 20 0 BCADLP O=CN1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000774162313 585652493 /nfs/dbraw/zinc/65/24/93/585652493.db2.gz HPPUGXXWTCFOKB-GFCCVEGCSA-N 2 2 237.347 0.434 20 0 BCADLP CON(C)C(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000774753182 585665192 /nfs/dbraw/zinc/66/51/92/585665192.db2.gz UFZCOXFTRDOEDO-UHFFFAOYSA-N 2 2 240.307 0.225 20 0 BCADLP CON(C)C(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000774753182 585665193 /nfs/dbraw/zinc/66/51/93/585665193.db2.gz UFZCOXFTRDOEDO-UHFFFAOYSA-N 2 2 240.307 0.225 20 0 BCADLP c1cn([C@@H]2CCC[N@@H+](CC3OCCO3)C2)c[nH+]1 ZINC000777575765 585715506 /nfs/dbraw/zinc/71/55/06/585715506.db2.gz JEBCSMHTDQRDEJ-LLVKDONJSA-N 2 2 237.303 0.893 20 0 BCADLP c1cn([C@@H]2CCC[N@H+](CC3OCCO3)C2)c[nH+]1 ZINC000777575765 585715507 /nfs/dbraw/zinc/71/55/07/585715507.db2.gz JEBCSMHTDQRDEJ-LLVKDONJSA-N 2 2 237.303 0.893 20 0 BCADLP C[C@H](CCO)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000779347689 585752061 /nfs/dbraw/zinc/75/20/61/585752061.db2.gz MMUWMUXRMPWXIQ-MNOVXSKESA-N 2 2 200.326 0.831 20 0 BCADLP C[C@H](CCO)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000779347689 585752062 /nfs/dbraw/zinc/75/20/62/585752062.db2.gz MMUWMUXRMPWXIQ-MNOVXSKESA-N 2 2 200.326 0.831 20 0 BCADLP O=C1O[C@H](C[N@@H+]2CCc3[nH+]c[nH]c3C2)CC12CC2 ZINC000859305518 589029962 /nfs/dbraw/zinc/02/99/62/589029962.db2.gz HJUMWBZOBYIINV-VIFPVBQESA-N 2 2 247.298 0.864 20 0 BCADLP O=C1O[C@H](C[N@H+]2CCc3[nH+]c[nH]c3C2)CC12CC2 ZINC000859305518 589029964 /nfs/dbraw/zinc/02/99/64/589029964.db2.gz HJUMWBZOBYIINV-VIFPVBQESA-N 2 2 247.298 0.864 20 0 BCADLP C[N@H+](CC1OCCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796461290 586104175 /nfs/dbraw/zinc/10/41/75/586104175.db2.gz MXUDPDSCYBZSAP-FOSCPWQOSA-N 2 2 240.347 0.916 20 0 BCADLP C[N@@H+](CC1OCCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796461290 586104176 /nfs/dbraw/zinc/10/41/76/586104176.db2.gz MXUDPDSCYBZSAP-FOSCPWQOSA-N 2 2 240.347 0.916 20 0 BCADLP C[NH+](CC1OCCO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000796461290 586104177 /nfs/dbraw/zinc/10/41/77/586104177.db2.gz MXUDPDSCYBZSAP-FOSCPWQOSA-N 2 2 240.347 0.916 20 0 BCADLP C[NH+](CC1OCCO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000796461290 586104178 /nfs/dbraw/zinc/10/41/78/586104178.db2.gz MXUDPDSCYBZSAP-FOSCPWQOSA-N 2 2 240.347 0.916 20 0 BCADLP C[C@H]1C[N@H+](CCN2CC[NH+](C)[C@@H](C)C2)CCO1 ZINC000800367014 586214247 /nfs/dbraw/zinc/21/42/47/586214247.db2.gz QVEMJHMTMUCFIQ-STQMWFEESA-N 2 2 241.379 0.343 20 0 BCADLP C[C@H]1C[N@@H+](CCN2CC[NH+](C)[C@@H](C)C2)CCO1 ZINC000800367014 586214248 /nfs/dbraw/zinc/21/42/48/586214248.db2.gz QVEMJHMTMUCFIQ-STQMWFEESA-N 2 2 241.379 0.343 20 0 BCADLP C[C@H]1C[NH+](CCN2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC000800367014 586214249 /nfs/dbraw/zinc/21/42/49/586214249.db2.gz QVEMJHMTMUCFIQ-STQMWFEESA-N 2 2 241.379 0.343 20 0 BCADLP C[C@H]1C[NH+](CCN2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC000800367014 586214250 /nfs/dbraw/zinc/21/42/50/586214250.db2.gz QVEMJHMTMUCFIQ-STQMWFEESA-N 2 2 241.379 0.343 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000811589606 586561760 /nfs/dbraw/zinc/56/17/60/586561760.db2.gz YSBRSIQUDJCRRB-NSHDSACASA-N 2 2 236.319 0.521 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000811589606 586561761 /nfs/dbraw/zinc/56/17/61/586561761.db2.gz YSBRSIQUDJCRRB-NSHDSACASA-N 2 2 236.319 0.521 20 0 BCADLP CC[N@@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816894918 586769512 /nfs/dbraw/zinc/76/95/12/586769512.db2.gz VYCCKVAGVZDYFE-JTQLQIEISA-N 2 2 236.319 0.410 20 0 BCADLP CC[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816894918 586769514 /nfs/dbraw/zinc/76/95/14/586769514.db2.gz VYCCKVAGVZDYFE-JTQLQIEISA-N 2 2 236.319 0.410 20 0 BCADLP Cc1[nH+]ccn1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000816892309 586769644 /nfs/dbraw/zinc/76/96/44/586769644.db2.gz XZQSSZIPZXXZON-UHFFFAOYSA-N 2 2 247.302 0.664 20 0 BCADLP CC[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000816915308 586771152 /nfs/dbraw/zinc/77/11/52/586771152.db2.gz WNRBPENDJMHMCG-UHFFFAOYSA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000816915308 586771154 /nfs/dbraw/zinc/77/11/54/586771154.db2.gz WNRBPENDJMHMCG-UHFFFAOYSA-N 2 2 236.319 0.553 20 0 BCADLP C[C@@H](CC[NH+](C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000816938927 586773056 /nfs/dbraw/zinc/77/30/56/586773056.db2.gz OIBDHOCQTDZHPI-VIFPVBQESA-N 2 2 224.308 0.409 20 0 BCADLP CC(C)C[C@H](O)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000817905267 586837570 /nfs/dbraw/zinc/83/75/70/586837570.db2.gz FAPMHULLJICMIQ-SRVKXCTJSA-N 2 2 214.353 0.981 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(C)OCCCO1 ZINC000817926207 586840930 /nfs/dbraw/zinc/84/09/30/586840930.db2.gz AFQBWUURHFRWND-GHMZBOCLSA-N 2 2 228.336 0.727 20 0 BCADLP CCn1nc(C)c(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000818614442 586906779 /nfs/dbraw/zinc/90/67/79/586906779.db2.gz ATWKPCSQBAKQMT-WDEREUQCSA-N 2 2 237.351 0.823 20 0 BCADLP CON(C)C(=O)CC[NH2+]CC[N@H+](C)C1CC1 ZINC000818976186 586919370 /nfs/dbraw/zinc/91/93/70/586919370.db2.gz WMIUBKDEXAJAFK-UHFFFAOYSA-N 2 2 229.324 0.080 20 0 BCADLP CON(C)C(=O)CC[NH2+]CC[N@@H+](C)C1CC1 ZINC000818976186 586919372 /nfs/dbraw/zinc/91/93/72/586919372.db2.gz WMIUBKDEXAJAFK-UHFFFAOYSA-N 2 2 229.324 0.080 20 0 BCADLP CON(C)C(=O)CC[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000819010178 586923864 /nfs/dbraw/zinc/92/38/64/586923864.db2.gz BLYQLDFZJTWDSJ-SNVBAGLBSA-N 2 2 243.351 0.469 20 0 BCADLP CON(C)C(=O)CC[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000819010178 586923866 /nfs/dbraw/zinc/92/38/66/586923866.db2.gz BLYQLDFZJTWDSJ-SNVBAGLBSA-N 2 2 243.351 0.469 20 0 BCADLP CON(C)C(=O)CC[NH2+]CC1([NH+](C)C)CCC1 ZINC000819253349 586944096 /nfs/dbraw/zinc/94/40/96/586944096.db2.gz OBCRSABJVYYKOR-UHFFFAOYSA-N 2 2 243.351 0.470 20 0 BCADLP Cn1c[nH+]c(CC[NH2+]C[C@@H](O)C2CC2)c1 ZINC000819359279 586956862 /nfs/dbraw/zinc/95/68/62/586956862.db2.gz DLTYTRXZUPGUHZ-LLVKDONJSA-N 2 2 209.293 0.323 20 0 BCADLP C[C@H]1[NH2+]CC[C@H]1c1nc(Cc2c[nH+]cn2C)no1 ZINC000822891071 587191611 /nfs/dbraw/zinc/19/16/11/587191611.db2.gz FKAGSUMKHMMNHT-PSASIEDQSA-N 2 2 247.302 0.859 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)C[NH+]1CCCC1 ZINC000822997353 587197370 /nfs/dbraw/zinc/19/73/70/587197370.db2.gz JKZOLTWOHSWWJW-UHFFFAOYSA-N 2 2 222.292 0.132 20 0 BCADLP C[NH+]1CCC(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000825197765 587309941 /nfs/dbraw/zinc/30/99/41/587309941.db2.gz UMYKBOVGFGFVDO-UHFFFAOYSA-N 2 2 236.319 0.410 20 0 BCADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1C[NH+]2CCC1CC2 ZINC000827264894 587374693 /nfs/dbraw/zinc/37/46/93/587374693.db2.gz DCNUNEHHTMASTF-NSHDSACASA-N 2 2 248.330 0.505 20 0 BCADLP CC[NH+](CC)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC000827545248 587387072 /nfs/dbraw/zinc/38/70/72/587387072.db2.gz XVLHNHFGDHWKKV-SNVBAGLBSA-N 2 2 238.335 0.799 20 0 BCADLP C[NH+](C)[C@@H]1CCC[N@H+](CC[S@](C)=O)CC1 ZINC000828426646 587441617 /nfs/dbraw/zinc/44/16/17/587441617.db2.gz AZZVMUJDCNSJSX-ABAIWWIYSA-N 2 2 232.393 0.781 20 0 BCADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC[S@](C)=O)CC1 ZINC000828426646 587441618 /nfs/dbraw/zinc/44/16/18/587441618.db2.gz AZZVMUJDCNSJSX-ABAIWWIYSA-N 2 2 232.393 0.781 20 0 BCADLP C[C@H]1CC[N@H+](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000829441826 587497376 /nfs/dbraw/zinc/49/73/76/587497376.db2.gz RRGLMMWOJAIKJB-JTQLQIEISA-N 2 2 236.319 0.410 20 0 BCADLP C[C@H]1CC[N@@H+](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000829441826 587497377 /nfs/dbraw/zinc/49/73/77/587497377.db2.gz RRGLMMWOJAIKJB-JTQLQIEISA-N 2 2 236.319 0.410 20 0 BCADLP C[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[N@@H+]1C1CC1 ZINC000829864003 587525883 /nfs/dbraw/zinc/52/58/83/587525883.db2.gz UZQGRJGWASYZRT-ZJUUUORDSA-N 2 2 248.330 0.694 20 0 BCADLP C[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[N@H+]1C1CC1 ZINC000829864003 587525884 /nfs/dbraw/zinc/52/58/84/587525884.db2.gz UZQGRJGWASYZRT-ZJUUUORDSA-N 2 2 248.330 0.694 20 0 BCADLP C[C@@H]1[C@H](NC(=O)/C=C\c2cn(C)c[nH+]2)CC[N@@H+]1C ZINC000830111165 587535996 /nfs/dbraw/zinc/53/59/96/587535996.db2.gz LWWUBNXOOQGEJG-ZHLVKLTDSA-N 2 2 248.330 0.642 20 0 BCADLP C[C@@H]1[C@H](NC(=O)/C=C\c2cn(C)c[nH+]2)CC[N@H+]1C ZINC000830111165 587535997 /nfs/dbraw/zinc/53/59/97/587535997.db2.gz LWWUBNXOOQGEJG-ZHLVKLTDSA-N 2 2 248.330 0.642 20 0 BCADLP Cn1c[nH+]c(/C=C/C(=O)NC[C@H]2CC[N@@H+]2C)c1 ZINC000830136450 587538541 /nfs/dbraw/zinc/53/85/41/587538541.db2.gz XZPQJGWHOXZCTI-PGLGOXFNSA-N 2 2 234.303 0.254 20 0 BCADLP Cn1c[nH+]c(/C=C/C(=O)NC[C@H]2CC[N@H+]2C)c1 ZINC000830136450 587538542 /nfs/dbraw/zinc/53/85/42/587538542.db2.gz XZPQJGWHOXZCTI-PGLGOXFNSA-N 2 2 234.303 0.254 20 0 BCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000831617803 587623816 /nfs/dbraw/zinc/62/38/16/587623816.db2.gz JYHAMFYGZRCYQO-NXEZZACHSA-N 2 2 236.319 0.503 20 0 BCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000831617803 587623819 /nfs/dbraw/zinc/62/38/19/587623819.db2.gz JYHAMFYGZRCYQO-NXEZZACHSA-N 2 2 236.319 0.503 20 0 BCADLP C[C@@H](CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000834299738 587750857 /nfs/dbraw/zinc/75/08/57/587750857.db2.gz ZAOYZWQSYTYCLX-CMPLNLGQSA-N 2 2 239.363 0.524 20 0 BCADLP C[C@@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000834299738 587750858 /nfs/dbraw/zinc/75/08/58/587750858.db2.gz ZAOYZWQSYTYCLX-CMPLNLGQSA-N 2 2 239.363 0.524 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000841007675 587934991 /nfs/dbraw/zinc/93/49/91/587934991.db2.gz QOEFHBXDVDQALG-NWDGAFQWSA-N 2 2 241.379 0.960 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000841007675 587934992 /nfs/dbraw/zinc/93/49/92/587934992.db2.gz QOEFHBXDVDQALG-NWDGAFQWSA-N 2 2 241.379 0.960 20 0 BCADLP C[NH2+]CCC[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000841043168 587939086 /nfs/dbraw/zinc/93/90/86/587939086.db2.gz SLEULDCCHWZQED-UHFFFAOYSA-N 2 2 245.330 0.966 20 0 BCADLP C[C@]1(C[N@@H+]2CCC3(C2)OCCO3)CC[NH2+]C1 ZINC000843060544 588077245 /nfs/dbraw/zinc/07/72/45/588077245.db2.gz YXFXPCPRIDIPPK-NSHDSACASA-N 2 2 226.320 0.435 20 0 BCADLP C[C@]1(C[N@H+]2CCC3(C2)OCCO3)CC[NH2+]C1 ZINC000843060544 588077247 /nfs/dbraw/zinc/07/72/47/588077247.db2.gz YXFXPCPRIDIPPK-NSHDSACASA-N 2 2 226.320 0.435 20 0 BCADLP CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000843347199 588102177 /nfs/dbraw/zinc/10/21/77/588102177.db2.gz CXQPTDGXHLWYJH-MNOVXSKESA-N 2 2 228.336 0.999 20 0 BCADLP CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000843347199 588102179 /nfs/dbraw/zinc/10/21/79/588102179.db2.gz CXQPTDGXHLWYJH-MNOVXSKESA-N 2 2 228.336 0.999 20 0 BCADLP CCC/C(C)=C/C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000843357830 588104009 /nfs/dbraw/zinc/10/40/09/588104009.db2.gz RLHBAIITHLYRIQ-JATZPVMKSA-N 2 2 239.363 0.834 20 0 BCADLP CCC/C(C)=C/C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000843357830 588104010 /nfs/dbraw/zinc/10/40/10/588104010.db2.gz RLHBAIITHLYRIQ-JATZPVMKSA-N 2 2 239.363 0.834 20 0 BCADLP C[N@H+](CC(=O)Nc1ccc(O)cc1)C1CC([NH3+])C1 ZINC000843386887 588105672 /nfs/dbraw/zinc/10/56/72/588105672.db2.gz ATBFTCSLOWTQDX-UHFFFAOYSA-N 2 2 249.314 0.752 20 0 BCADLP C[N@@H+](CC(=O)Nc1ccc(O)cc1)C1CC([NH3+])C1 ZINC000843386887 588105673 /nfs/dbraw/zinc/10/56/73/588105673.db2.gz ATBFTCSLOWTQDX-UHFFFAOYSA-N 2 2 249.314 0.752 20 0 BCADLP CC[NH2+]CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000844174859 588172084 /nfs/dbraw/zinc/17/20/84/588172084.db2.gz CSFWQRGFUGJNTI-JTQLQIEISA-N 2 2 224.308 0.245 20 0 BCADLP CC[NH2+]CC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000844176087 588172305 /nfs/dbraw/zinc/17/23/05/588172305.db2.gz MBJOWOIVWYMOEK-UHFFFAOYSA-N 2 2 246.314 0.868 20 0 BCADLP COc1c(C)c[nH+]c(CNC(=O)C2([NH3+])CC2)c1C ZINC000844177631 588172500 /nfs/dbraw/zinc/17/25/00/588172500.db2.gz OIIXRWIHRVEWLO-UHFFFAOYSA-N 2 2 249.314 0.815 20 0 BCADLP C[N@H+](CC(F)F)C1CCN(CC[NH3+])CC1 ZINC000844221673 588174122 /nfs/dbraw/zinc/17/41/22/588174122.db2.gz RSIRMQJORMOOFK-UHFFFAOYSA-N 2 2 221.295 0.606 20 0 BCADLP C[N@@H+](CC(F)F)C1CCN(CC[NH3+])CC1 ZINC000844221673 588174124 /nfs/dbraw/zinc/17/41/24/588174124.db2.gz RSIRMQJORMOOFK-UHFFFAOYSA-N 2 2 221.295 0.606 20 0 BCADLP CN(CC(F)F)C1CC[NH+](CC[NH3+])CC1 ZINC000844221673 588174126 /nfs/dbraw/zinc/17/41/26/588174126.db2.gz RSIRMQJORMOOFK-UHFFFAOYSA-N 2 2 221.295 0.606 20 0 BCADLP c1ncn(CC[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)n1 ZINC000844226313 588174300 /nfs/dbraw/zinc/17/43/00/588174300.db2.gz MHYCJKXZYQACKV-NSHDSACASA-N 2 2 221.308 0.106 20 0 BCADLP c1ncn(CC[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)n1 ZINC000844226313 588174302 /nfs/dbraw/zinc/17/43/02/588174302.db2.gz MHYCJKXZYQACKV-NSHDSACASA-N 2 2 221.308 0.106 20 0 BCADLP [NH3+]C1(C[NH2+]CC(=O)NCc2ccccn2)CCC1 ZINC000844222935 588174414 /nfs/dbraw/zinc/17/44/14/588174414.db2.gz NSQSMHZZBATOSU-UHFFFAOYSA-N 2 2 248.330 0.169 20 0 BCADLP [NH3+]CCc1noc(Cc2cn3c([nH+]2)CCCC3)n1 ZINC000844906487 588219006 /nfs/dbraw/zinc/21/90/06/588219006.db2.gz PCXJZFKPCTZZFM-UHFFFAOYSA-N 2 2 247.302 0.694 20 0 BCADLP CCON(C)C(=O)C[NH2+]Cc1c[nH+]cn1CC ZINC000846062782 588255031 /nfs/dbraw/zinc/25/50/31/588255031.db2.gz JZLSIMVLYPEXRD-UHFFFAOYSA-N 2 2 240.307 0.403 20 0 BCADLP CSCC[C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000846670669 588281635 /nfs/dbraw/zinc/28/16/35/588281635.db2.gz HFXJUECNWZVMOR-UWVGGRQHSA-N 2 2 247.408 0.523 20 0 BCADLP C[C@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)(C)C1 ZINC000846670469 588281724 /nfs/dbraw/zinc/28/17/24/588281724.db2.gz CNYLNPOQKLOXKF-GHMZBOCLSA-N 2 2 241.379 0.912 20 0 BCADLP CCNC(=[NH2+])NCC[N@@H+]1CCOC(C)(C)C1 ZINC000848999622 588430434 /nfs/dbraw/zinc/43/04/34/588430434.db2.gz XFQUWLHIRXDUMG-UHFFFAOYSA-N 2 2 228.340 0.231 20 0 BCADLP CCNC(=[NH2+])NCC[N@H+]1CCOC(C)(C)C1 ZINC000848999622 588430435 /nfs/dbraw/zinc/43/04/35/588430435.db2.gz XFQUWLHIRXDUMG-UHFFFAOYSA-N 2 2 228.340 0.231 20 0 BCADLP Cn1c[nH+]cc1CNC(=[NH2+])N1CCCCC1 ZINC000849029321 588441892 /nfs/dbraw/zinc/44/18/92/588441892.db2.gz PZQBQJFIRLWNGK-UHFFFAOYSA-N 2 2 221.308 0.930 20 0 BCADLP CON(C)CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000850480874 588551111 /nfs/dbraw/zinc/55/11/11/588551111.db2.gz WDXVLZPVJSSJLQ-ZYHUDNBSSA-N 2 2 227.352 0.552 20 0 BCADLP CON(C)CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000850480874 588551112 /nfs/dbraw/zinc/55/11/12/588551112.db2.gz WDXVLZPVJSSJLQ-ZYHUDNBSSA-N 2 2 227.352 0.552 20 0 BCADLP C[NH+](C)C1CC[NH+](C[C@@H]2CCC(=O)O2)CC1 ZINC000851726585 588617812 /nfs/dbraw/zinc/61/78/12/588617812.db2.gz TUAFZPAXJDXTTO-NSHDSACASA-N 2 2 226.320 0.718 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCOCC[C@H]1C ZINC000851906596 588642171 /nfs/dbraw/zinc/64/21/71/588642171.db2.gz NALKLPNLSGDOHD-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCOCC[C@H]1C ZINC000851906596 588642172 /nfs/dbraw/zinc/64/21/72/588642172.db2.gz NALKLPNLSGDOHD-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCOCC[C@H]1C ZINC000851906596 588642173 /nfs/dbraw/zinc/64/21/73/588642173.db2.gz NALKLPNLSGDOHD-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCOCC[C@H]1C ZINC000851906596 588642174 /nfs/dbraw/zinc/64/21/74/588642174.db2.gz NALKLPNLSGDOHD-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP O=C1O[C@@H](C[N@@H+]2CCn3c[nH+]cc3C2)CC12CC2 ZINC000852066578 588659103 /nfs/dbraw/zinc/65/91/03/588659103.db2.gz RSHOAHPZUZZPMF-LLVKDONJSA-N 2 2 247.298 0.794 20 0 BCADLP O=C1O[C@@H](C[N@H+]2CCn3c[nH+]cc3C2)CC12CC2 ZINC000852066578 588659104 /nfs/dbraw/zinc/65/91/04/588659104.db2.gz RSHOAHPZUZZPMF-LLVKDONJSA-N 2 2 247.298 0.794 20 0 BCADLP O=C1CCC2=C(CC[N@H+](CCn3cc[nH+]c3)C2)N1 ZINC000852297670 588677194 /nfs/dbraw/zinc/67/71/94/588677194.db2.gz MGFXBRBHUPXTEE-UHFFFAOYSA-N 2 2 246.314 0.753 20 0 BCADLP O[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c[nH]2)C12CCC2 ZINC000852583351 588691885 /nfs/dbraw/zinc/69/18/85/588691885.db2.gz UWSOEXSBLZAGOE-NXEZZACHSA-N 2 2 207.277 0.803 20 0 BCADLP O=C(CCn1cc[nH+]c1)NCC[C@@H]1CC[NH2+]C1 ZINC000110796452 588696331 /nfs/dbraw/zinc/69/63/31/588696331.db2.gz WHYGKTFFTDDFNT-NSHDSACASA-N 2 2 236.319 0.389 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000852746339 588698836 /nfs/dbraw/zinc/69/88/36/588698836.db2.gz IZXPQQNVGJOTTR-GFCCVEGCSA-N 3 2 239.363 0.050 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000852746339 588698837 /nfs/dbraw/zinc/69/88/37/588698837.db2.gz IZXPQQNVGJOTTR-GFCCVEGCSA-N 3 2 239.363 0.050 20 0 BCADLP c1c[nH+]c([C@H]2CCCN2C[C@@H]2C[NH2+]CCO2)[nH]1 ZINC000852750388 588700128 /nfs/dbraw/zinc/70/01/28/588700128.db2.gz STVGZYNMZVOPPE-WDEREUQCSA-N 2 2 236.319 0.535 20 0 BCADLP Nc1ccc(NC(=O)C=C2CC[NH2+]CC2)c[nH+]1 ZINC000852795874 588703407 /nfs/dbraw/zinc/70/34/07/588703407.db2.gz KFDGAPOLTFCOHQ-UHFFFAOYSA-N 2 2 232.287 0.912 20 0 BCADLP O=C(C=C1CC[NH2+]CC1)NCCCn1cc[nH+]c1 ZINC000852854241 588708428 /nfs/dbraw/zinc/70/84/28/588708428.db2.gz AOECYBTYKJIMGX-UHFFFAOYSA-N 2 2 248.330 0.699 20 0 BCADLP COC(=O)C1=CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000863542315 589297458 /nfs/dbraw/zinc/29/74/58/589297458.db2.gz PCXJYVZOFNEBCT-ZMLRMANQSA-N 2 2 238.331 0.836 20 0 BCADLP CCO[C@H](C[N@H+](C)CC[NH2+]C)C1CC1 ZINC000863544954 589297643 /nfs/dbraw/zinc/29/76/43/589297643.db2.gz FFFLMXAWLZDXRI-LLVKDONJSA-N 2 2 200.326 0.953 20 0 BCADLP CCO[C@H](C[N@@H+](C)CC[NH2+]C)C1CC1 ZINC000863544954 589297644 /nfs/dbraw/zinc/29/76/44/589297644.db2.gz FFFLMXAWLZDXRI-LLVKDONJSA-N 2 2 200.326 0.953 20 0 BCADLP C1=C(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)COCC1 ZINC000863641993 589306336 /nfs/dbraw/zinc/30/63/36/589306336.db2.gz OJCWIEPHQQKMRX-NEPJUHHUSA-N 2 2 208.305 0.627 20 0 BCADLP C1=C(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)COCC1 ZINC000863641993 589306337 /nfs/dbraw/zinc/30/63/37/589306337.db2.gz OJCWIEPHQQKMRX-NEPJUHHUSA-N 2 2 208.305 0.627 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc2c(c1)nnn2C ZINC000863651442 589306763 /nfs/dbraw/zinc/30/67/63/589306763.db2.gz ITFGSWXKHKFQEA-VIFPVBQESA-N 2 2 233.319 0.747 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc2c(c1)nnn2C ZINC000863651442 589306764 /nfs/dbraw/zinc/30/67/64/589306764.db2.gz ITFGSWXKHKFQEA-VIFPVBQESA-N 2 2 233.319 0.747 20 0 BCADLP COC(=O)c1cc(C[N@H+](C)C[C@H](C)[NH3+])c[nH]1 ZINC000863653201 589308014 /nfs/dbraw/zinc/30/80/14/589308014.db2.gz FNPZILZKVBPENO-QMMMGPOBSA-N 2 2 225.292 0.580 20 0 BCADLP COC(=O)c1cc(C[N@@H+](C)C[C@H](C)[NH3+])c[nH]1 ZINC000863653201 589308016 /nfs/dbraw/zinc/30/80/16/589308016.db2.gz FNPZILZKVBPENO-QMMMGPOBSA-N 2 2 225.292 0.580 20 0 BCADLP C[N@H+](CC(=O)N[C@H]1CCn2cc[nH+]c21)C1CCC1 ZINC000863920684 589326397 /nfs/dbraw/zinc/32/63/97/589326397.db2.gz VNIPLMVPROIUJH-NSHDSACASA-N 2 2 248.330 0.928 20 0 BCADLP C[C@H]1C[C@@H]1NC(=[NH2+])NCCCn1cc[nH+]c1 ZINC000864453374 589365554 /nfs/dbraw/zinc/36/55/54/589365554.db2.gz ZAPVWHCCDHHFBT-UWVGGRQHSA-N 2 2 221.308 0.796 20 0 BCADLP C[C@@H]1C[C@H]1NC(=[NH2+])NCCc1cn(C)c[nH+]1 ZINC000864466740 589371202 /nfs/dbraw/zinc/37/12/02/589371202.db2.gz ONRCFWNPKSWOGJ-PSASIEDQSA-N 2 2 221.308 0.485 20 0 BCADLP CC[C@@H]1[C@@H](C(=O)NC2=[NH+]CCS2)CC[N@@H+]1C ZINC000864604730 589382986 /nfs/dbraw/zinc/38/29/86/589382986.db2.gz WVZFDEKXRBNQBB-DTWKUNHWSA-N 2 2 241.360 0.936 20 0 BCADLP CC[C@@H]1[C@@H](C(=O)NC2=[NH+]CCS2)CC[N@H+]1C ZINC000864604730 589382988 /nfs/dbraw/zinc/38/29/88/589382988.db2.gz WVZFDEKXRBNQBB-DTWKUNHWSA-N 2 2 241.360 0.936 20 0 BCADLP C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000865659015 589454955 /nfs/dbraw/zinc/45/49/55/589454955.db2.gz CIUOCSJRJXFXEU-SDDRHHMPSA-N 2 2 242.363 0.599 20 0 BCADLP C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000865659015 589454956 /nfs/dbraw/zinc/45/49/56/589454956.db2.gz CIUOCSJRJXFXEU-SDDRHHMPSA-N 2 2 242.363 0.599 20 0 BCADLP Cc1cccn2c(C[NH2+]C[C@H](O)[C@@H](C)O)c[nH+]c12 ZINC000865738680 589459674 /nfs/dbraw/zinc/45/96/74/589459674.db2.gz JCSPCQWZGLPVKF-PWSUYJOCSA-N 2 2 249.314 0.474 20 0 BCADLP Cn1c[nH+]c(CNc2cc3n(n2)CC[N@H+](C)C3)c1 ZINC000865844496 589464655 /nfs/dbraw/zinc/46/46/55/589464655.db2.gz DHLZOCFLVMABTG-UHFFFAOYSA-N 2 2 246.318 0.674 20 0 BCADLP Cn1c[nH+]c(CNc2cc3n(n2)CC[N@@H+](C)C3)c1 ZINC000865844496 589464656 /nfs/dbraw/zinc/46/46/56/589464656.db2.gz DHLZOCFLVMABTG-UHFFFAOYSA-N 2 2 246.318 0.674 20 0 BCADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCSC2)C1 ZINC000866411863 589490886 /nfs/dbraw/zinc/49/08/86/589490886.db2.gz XOWMJJLMTXNBSI-QWRGUYRKSA-N 2 2 244.404 0.927 20 0 BCADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+][C@H]2CCSC2)C1 ZINC000866411863 589490888 /nfs/dbraw/zinc/49/08/88/589490888.db2.gz XOWMJJLMTXNBSI-QWRGUYRKSA-N 2 2 244.404 0.927 20 0 BCADLP C[N@H+](CCOCC[NH3+])Cc1coc(C2CC2)n1 ZINC000866668563 589510080 /nfs/dbraw/zinc/51/00/80/589510080.db2.gz RLQXSKJMPCNAGP-UHFFFAOYSA-N 2 2 239.319 0.959 20 0 BCADLP C[N@@H+](CCOCC[NH3+])Cc1coc(C2CC2)n1 ZINC000866668563 589510081 /nfs/dbraw/zinc/51/00/81/589510081.db2.gz RLQXSKJMPCNAGP-UHFFFAOYSA-N 2 2 239.319 0.959 20 0 BCADLP C[C@H](C[N@H+](CC[NH3+])C[C@H](O)CO)CC(C)(C)C ZINC000866669062 589510090 /nfs/dbraw/zinc/51/00/90/589510090.db2.gz OJSKNGKCPKUQJP-RYUDHWBXSA-N 2 2 246.395 0.673 20 0 BCADLP C[C@H](C[N@@H+](CC[NH3+])C[C@H](O)CO)CC(C)(C)C ZINC000866669062 589510092 /nfs/dbraw/zinc/51/00/92/589510092.db2.gz OJSKNGKCPKUQJP-RYUDHWBXSA-N 2 2 246.395 0.673 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000866704399 589513313 /nfs/dbraw/zinc/51/33/13/589513313.db2.gz UJIAKHCBNXKUJY-SRVKXCTJSA-N 2 2 242.388 0.660 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000866704399 589513314 /nfs/dbraw/zinc/51/33/14/589513314.db2.gz UJIAKHCBNXKUJY-SRVKXCTJSA-N 2 2 242.388 0.660 20 0 BCADLP CNC(=O)C[N@H+](CCC[NH2+]C)Cc1ccccc1 ZINC000866723366 589515880 /nfs/dbraw/zinc/51/58/80/589515880.db2.gz HPLCWQAOSNQEST-UHFFFAOYSA-N 2 2 249.358 0.844 20 0 BCADLP CNC(=O)C[N@@H+](CCC[NH2+]C)Cc1ccccc1 ZINC000866723366 589515882 /nfs/dbraw/zinc/51/58/82/589515882.db2.gz HPLCWQAOSNQEST-UHFFFAOYSA-N 2 2 249.358 0.844 20 0 BCADLP c1nc2n(n1)[C@H](C[N@@H+]1CCC[C@@H]3[NH2+]CC[C@H]31)CC2 ZINC000866723307 589516027 /nfs/dbraw/zinc/51/60/27/589516027.db2.gz GLJBHCULXFXUNA-SDDRHHMPSA-N 2 2 247.346 0.592 20 0 BCADLP c1nc2n(n1)[C@H](C[N@H+]1CCC[C@@H]3[NH2+]CC[C@H]31)CC2 ZINC000866723307 589516028 /nfs/dbraw/zinc/51/60/28/589516028.db2.gz GLJBHCULXFXUNA-SDDRHHMPSA-N 2 2 247.346 0.592 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866725757 589516305 /nfs/dbraw/zinc/51/63/05/589516305.db2.gz WCELMAGPORMLAH-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866725757 589516303 /nfs/dbraw/zinc/51/63/03/589516303.db2.gz WCELMAGPORMLAH-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C1([NH3+])CC1 ZINC000867998400 589543103 /nfs/dbraw/zinc/54/31/03/589543103.db2.gz BJQCEDPVSZFBLJ-GFCCVEGCSA-N 2 2 245.326 0.781 20 0 BCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C1([NH3+])CC1 ZINC000867998400 589543104 /nfs/dbraw/zinc/54/31/04/589543104.db2.gz BJQCEDPVSZFBLJ-GFCCVEGCSA-N 2 2 245.326 0.781 20 0 BCADLP C[C@H]([NH3+])C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000867998806 589543174 /nfs/dbraw/zinc/54/31/74/589543174.db2.gz INUWKPGRCSIADO-JOYOIKCWSA-N 2 2 233.315 0.637 20 0 BCADLP C[C@H]([NH3+])C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000867998806 589543175 /nfs/dbraw/zinc/54/31/75/589543175.db2.gz INUWKPGRCSIADO-JOYOIKCWSA-N 2 2 233.315 0.637 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000868140175 589550435 /nfs/dbraw/zinc/55/04/35/589550435.db2.gz LJOCMRJRAGCAFF-AOOOYVTPSA-N 2 2 234.303 0.671 20 0 BCADLP Cc1cc(NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)c(C)c[nH+]1 ZINC000868140442 589550543 /nfs/dbraw/zinc/55/05/43/589550543.db2.gz PEEVSWIZBSKSRW-PHIMTYICSA-N 2 2 248.330 0.979 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870881177 589694061 /nfs/dbraw/zinc/69/40/61/589694061.db2.gz HNIATZJSFVXORZ-UHFFFAOYSA-N 2 2 248.330 0.569 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCCCC1CC1 ZINC000870963299 589701998 /nfs/dbraw/zinc/70/19/98/589701998.db2.gz YJPCTQWVACDSFV-LBPRGKRZSA-N 2 2 241.379 0.962 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c[nH+]1 ZINC000870973814 589704046 /nfs/dbraw/zinc/70/40/46/589704046.db2.gz BJVHFVUIRJKDBC-JGPRNRPPSA-N 2 2 248.330 0.979 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCC[C@@H]1CCOC1=O ZINC000872118208 589875743 /nfs/dbraw/zinc/87/57/43/589875743.db2.gz VRKUFIVQIHEGSO-IJLUTSLNSA-N 2 2 240.347 0.869 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC[C@@H]1CCOC1=O ZINC000872118208 589875745 /nfs/dbraw/zinc/87/57/45/589875745.db2.gz VRKUFIVQIHEGSO-IJLUTSLNSA-N 2 2 240.347 0.869 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC[C@H]2O)C[N@@H+]1C1CC1 ZINC000872141362 589882400 /nfs/dbraw/zinc/88/24/00/589882400.db2.gz TVUURINJQVKRPU-FPQZTECRSA-N 2 2 240.347 0.351 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC[C@H]2O)C[N@H+]1C1CC1 ZINC000872141362 589882402 /nfs/dbraw/zinc/88/24/02/589882402.db2.gz TVUURINJQVKRPU-FPQZTECRSA-N 2 2 240.347 0.351 20 0 BCADLP Cn1nccc1CC[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000872146047 589884213 /nfs/dbraw/zinc/88/42/13/589884213.db2.gz CSVUAJJWLLSFIC-CHWSQXEVSA-N 2 2 234.347 0.789 20 0 BCADLP Cn1nccc1CC[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000872146047 589884215 /nfs/dbraw/zinc/88/42/15/589884215.db2.gz CSVUAJJWLLSFIC-CHWSQXEVSA-N 2 2 234.347 0.789 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000872150604 589885057 /nfs/dbraw/zinc/88/50/57/589885057.db2.gz XTYMVQAZJBUQKA-SDDRHHMPSA-N 3 2 209.337 0.137 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000872150604 589885058 /nfs/dbraw/zinc/88/50/58/589885058.db2.gz XTYMVQAZJBUQKA-SDDRHHMPSA-N 3 2 209.337 0.137 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)CC(C)(C)O ZINC000872201466 589890075 /nfs/dbraw/zinc/89/00/75/589890075.db2.gz BUPAHXHXEWVYIL-GHMZBOCLSA-N 2 2 230.352 0.192 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)CC(C)(C)O ZINC000872201466 589890077 /nfs/dbraw/zinc/89/00/77/589890077.db2.gz BUPAHXHXEWVYIL-GHMZBOCLSA-N 2 2 230.352 0.192 20 0 BCADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)CC(C)(C)O)C1 ZINC000872201121 589890115 /nfs/dbraw/zinc/89/01/15/589890115.db2.gz WFLDJPXTMIBZBB-WDEREUQCSA-N 2 2 230.352 0.192 20 0 BCADLP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)CC(C)(C)O)C1 ZINC000872201121 589890117 /nfs/dbraw/zinc/89/01/17/589890117.db2.gz WFLDJPXTMIBZBB-WDEREUQCSA-N 2 2 230.352 0.192 20 0 BCADLP CN1CCN(C(=O)C2([NH3+])CC2)Cc2ccc[nH+]c21 ZINC000872314950 589909975 /nfs/dbraw/zinc/90/99/75/589909975.db2.gz RLERSOCXBJGLER-UHFFFAOYSA-N 2 2 246.314 0.351 20 0 BCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccon1 ZINC000873046732 589981384 /nfs/dbraw/zinc/98/13/84/589981384.db2.gz PDBAXTUEHCWSJP-LLVKDONJSA-N 2 2 238.335 0.400 20 0 BCADLP C[N@H+](Cc1cnc(N)cn1)C1CC[NH2+]CC1 ZINC000873200572 589992704 /nfs/dbraw/zinc/99/27/04/589992704.db2.gz CRMZQTJPYRHITH-UHFFFAOYSA-N 2 2 221.308 0.243 20 0 BCADLP C[N@@H+](Cc1cnc(N)cn1)C1CC[NH2+]CC1 ZINC000873200572 589992705 /nfs/dbraw/zinc/99/27/05/589992705.db2.gz CRMZQTJPYRHITH-UHFFFAOYSA-N 2 2 221.308 0.243 20 0 BCADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(N)cn2)CC[N@@H+]1C ZINC000873206948 589993788 /nfs/dbraw/zinc/99/37/88/589993788.db2.gz GROBBGCPRCJAPI-PWSUYJOCSA-N 2 2 249.362 0.973 20 0 BCADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(N)cn2)CC[N@H+]1C ZINC000873206948 589993790 /nfs/dbraw/zinc/99/37/90/589993790.db2.gz GROBBGCPRCJAPI-PWSUYJOCSA-N 2 2 249.362 0.973 20 0 BCADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc(N)cn2)CC[NH+]1C ZINC000873206948 589993792 /nfs/dbraw/zinc/99/37/92/589993792.db2.gz GROBBGCPRCJAPI-PWSUYJOCSA-N 2 2 249.362 0.973 20 0 BCADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc(N)cn2)CC[NH+]1C ZINC000873206948 589993795 /nfs/dbraw/zinc/99/37/95/589993795.db2.gz GROBBGCPRCJAPI-PWSUYJOCSA-N 2 2 249.362 0.973 20 0 BCADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(N)cn2)CC[N@@H+]1C ZINC000873206949 589994007 /nfs/dbraw/zinc/99/40/07/589994007.db2.gz GROBBGCPRCJAPI-ZYHUDNBSSA-N 2 2 249.362 0.973 20 0 BCADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(N)cn2)CC[N@H+]1C ZINC000873206949 589994009 /nfs/dbraw/zinc/99/40/09/589994009.db2.gz GROBBGCPRCJAPI-ZYHUDNBSSA-N 2 2 249.362 0.973 20 0 BCADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnc(N)cn2)CC[NH+]1C ZINC000873206949 589994010 /nfs/dbraw/zinc/99/40/10/589994010.db2.gz GROBBGCPRCJAPI-ZYHUDNBSSA-N 2 2 249.362 0.973 20 0 BCADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc(N)cn2)CC[NH+]1C ZINC000873206949 589994012 /nfs/dbraw/zinc/99/40/12/589994012.db2.gz GROBBGCPRCJAPI-ZYHUDNBSSA-N 2 2 249.362 0.973 20 0 BCADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(N)cn2)CC[N@@H+]1C ZINC000873206947 589994249 /nfs/dbraw/zinc/99/42/49/589994249.db2.gz GROBBGCPRCJAPI-JQWIXIFHSA-N 2 2 249.362 0.973 20 0 BCADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(N)cn2)CC[N@H+]1C ZINC000873206947 589994252 /nfs/dbraw/zinc/99/42/52/589994252.db2.gz GROBBGCPRCJAPI-JQWIXIFHSA-N 2 2 249.362 0.973 20 0 BCADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cnc(N)cn2)CC[NH+]1C ZINC000873206947 589994255 /nfs/dbraw/zinc/99/42/55/589994255.db2.gz GROBBGCPRCJAPI-JQWIXIFHSA-N 2 2 249.362 0.973 20 0 BCADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnc(N)cn2)CC[NH+]1C ZINC000873206947 589994256 /nfs/dbraw/zinc/99/42/56/589994256.db2.gz GROBBGCPRCJAPI-JQWIXIFHSA-N 2 2 249.362 0.973 20 0 BCADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cnc(N)cn1 ZINC000873211125 589995927 /nfs/dbraw/zinc/99/59/27/589995927.db2.gz WAHGGMYIEPYMFI-VIFPVBQESA-N 2 2 223.324 0.666 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(N)cn2)CC[NH2+]1 ZINC000873212507 589996073 /nfs/dbraw/zinc/99/60/73/589996073.db2.gz MQTMTJGTBSIHJZ-RKDXNWHRSA-N 2 2 221.308 0.289 20 0 BCADLP Nc1cnc(C[NH2+][C@H](C[NH3+])C2CCCC2)cn1 ZINC000873212129 589996592 /nfs/dbraw/zinc/99/65/92/589996592.db2.gz HMVXECJTVUFLIQ-LLVKDONJSA-N 2 2 235.335 0.666 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C2 ZINC000873228979 590001313 /nfs/dbraw/zinc/00/13/13/590001313.db2.gz LWQCPABLPLCPJY-RWMBFGLXSA-N 3 2 223.364 0.527 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@]1(C)CC[NH2+]C1)C2 ZINC000873228979 590001314 /nfs/dbraw/zinc/00/13/14/590001314.db2.gz LWQCPABLPLCPJY-RWMBFGLXSA-N 3 2 223.364 0.527 20 0 BCADLP Cn1c[nH+]cc1CN[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873231443 590003573 /nfs/dbraw/zinc/00/35/73/590003573.db2.gz NXBYCRPLMXVDLU-RYUDHWBXSA-N 2 2 220.320 0.794 20 0 BCADLP Cn1c[nH+]cc1CN[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873231440 590003626 /nfs/dbraw/zinc/00/36/26/590003626.db2.gz NXBYCRPLMXVDLU-NWDGAFQWSA-N 2 2 220.320 0.794 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873234838 590004426 /nfs/dbraw/zinc/00/44/26/590004426.db2.gz IKFGGPMOVJPXGC-NXEZZACHSA-N 2 2 227.352 0.618 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000873255698 590010864 /nfs/dbraw/zinc/01/08/64/590010864.db2.gz IHOWCSVJMMMFAC-FIQHERPVSA-N 3 2 223.364 0.939 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000873255698 590010866 /nfs/dbraw/zinc/01/08/66/590010866.db2.gz IHOWCSVJMMMFAC-FIQHERPVSA-N 3 2 223.364 0.939 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257504 590012149 /nfs/dbraw/zinc/01/21/49/590012149.db2.gz TVWPPJKUYZSHDC-MRBYEJRBSA-N 3 2 223.364 0.796 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257504 590012150 /nfs/dbraw/zinc/01/21/50/590012150.db2.gz TVWPPJKUYZSHDC-MRBYEJRBSA-N 3 2 223.364 0.796 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000873281802 590018322 /nfs/dbraw/zinc/01/83/22/590018322.db2.gz BTPRQNWPKLZTHK-VHSXEESVSA-N 2 2 213.325 0.324 20 0 BCADLP O[C@H]1C[C@H](C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000873296197 590024149 /nfs/dbraw/zinc/02/41/49/590024149.db2.gz CRMDWNYQMXHFEI-OJAKKHQRSA-N 2 2 240.347 0.114 20 0 BCADLP O[C@H]1C[C@H](C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000873296198 590024250 /nfs/dbraw/zinc/02/42/50/590024250.db2.gz CRMDWNYQMXHFEI-XYJRDEOASA-N 2 2 240.347 0.114 20 0 BCADLP C[N@@H+]1CC[C@H](CC(=O)NC2=[NH+]CCS2)C1 ZINC000873837778 590074049 /nfs/dbraw/zinc/07/40/49/590074049.db2.gz GLSFFIXTHYMVFG-MRVPVSSYSA-N 2 2 227.333 0.547 20 0 BCADLP C[N@H+]1CC[C@H](CC(=O)NC2=[NH+]CCS2)C1 ZINC000873837778 590074052 /nfs/dbraw/zinc/07/40/52/590074052.db2.gz GLSFFIXTHYMVFG-MRVPVSSYSA-N 2 2 227.333 0.547 20 0 BCADLP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC000874830018 590142729 /nfs/dbraw/zinc/14/27/29/590142729.db2.gz PSTQZAZHHQRZDI-NEPJUHHUSA-N 2 2 248.330 0.578 20 0 BCADLP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC000874830018 590142730 /nfs/dbraw/zinc/14/27/30/590142730.db2.gz PSTQZAZHHQRZDI-NEPJUHHUSA-N 2 2 248.330 0.578 20 0 BCADLP Nc1ccc(NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)c[nH+]1 ZINC000876523493 590207801 /nfs/dbraw/zinc/20/78/01/590207801.db2.gz YDCVJUOOKALQIY-GMSGAONNSA-N 2 2 238.266 0.550 20 0 BCADLP CC1(C)[C@H](C(=O)Nc2ccc(N)[nH+]c2)C[C@@H]1[NH3+] ZINC000876523168 590207873 /nfs/dbraw/zinc/20/78/73/590207873.db2.gz NCWCWIUQBRHTHP-IUCAKERBSA-N 2 2 234.303 0.976 20 0 BCADLP CCC[C@H](CC)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000876542180 590212706 /nfs/dbraw/zinc/21/27/06/590212706.db2.gz LGCZSAHNWNMDTJ-NWDGAFQWSA-N 2 2 241.379 0.914 20 0 BCADLP CCC[C@H](CC)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000876542180 590212708 /nfs/dbraw/zinc/21/27/08/590212708.db2.gz LGCZSAHNWNMDTJ-NWDGAFQWSA-N 2 2 241.379 0.914 20 0 BCADLP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCCn1cc[nH+]c1 ZINC000876708884 590232743 /nfs/dbraw/zinc/23/27/43/590232743.db2.gz CVFUADJOFMMTFP-MVZIDQBPSA-N 2 2 248.330 0.555 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876753429 590237771 /nfs/dbraw/zinc/23/77/71/590237771.db2.gz KUQCFMBVBLMNFB-DOGVGXBMSA-N 2 2 248.330 0.592 20 0 BCADLP CC1(C)[C@H](C(=O)NCCc2[nH]cc[nH+]2)C[C@@H]1[NH3+] ZINC000876763183 590238890 /nfs/dbraw/zinc/23/88/90/590238890.db2.gz IWOXCBRITZHNGM-IUCAKERBSA-N 2 2 236.319 0.442 20 0 BCADLP CC(C)C[C@@H](C(=O)N[C@@H](C)C[NH3+])n1cc[nH+]c1 ZINC000876830425 590247415 /nfs/dbraw/zinc/24/74/15/590247415.db2.gz JOEFITWZYWXHCM-QWRGUYRKSA-N 2 2 238.335 0.934 20 0 BCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000876883017 590252682 /nfs/dbraw/zinc/25/26/82/590252682.db2.gz XUUNWTXYSVZSKF-ONKIFHLLSA-N 2 2 234.303 0.438 20 0 BCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000876883017 590252683 /nfs/dbraw/zinc/25/26/83/590252683.db2.gz XUUNWTXYSVZSKF-ONKIFHLLSA-N 2 2 234.303 0.438 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876956917 590260842 /nfs/dbraw/zinc/26/08/42/590260842.db2.gz RMAYJESOMAPTPB-UWVGGRQHSA-N 2 2 236.319 0.742 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876956917 590260843 /nfs/dbraw/zinc/26/08/43/590260843.db2.gz RMAYJESOMAPTPB-UWVGGRQHSA-N 2 2 236.319 0.742 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000877233294 590302014 /nfs/dbraw/zinc/30/20/14/590302014.db2.gz QVCMJNJCKQQHFE-DTWKUNHWSA-N 2 2 236.319 0.742 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877274309 590305667 /nfs/dbraw/zinc/30/56/67/590305667.db2.gz VAGRFMISDFGPQM-ZYHUDNBSSA-N 2 2 248.330 0.614 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877285331 590307033 /nfs/dbraw/zinc/30/70/33/590307033.db2.gz ZJTYTNCFJWMVGD-RYUDHWBXSA-N 2 2 248.330 0.626 20 0 BCADLP CCON(C)C(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000877611855 590372599 /nfs/dbraw/zinc/37/25/99/590372599.db2.gz CFCOOHVGDSRDGM-GHMZBOCLSA-N 2 2 243.351 0.469 20 0 BCADLP CCON(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000877611855 590372601 /nfs/dbraw/zinc/37/26/01/590372601.db2.gz CFCOOHVGDSRDGM-GHMZBOCLSA-N 2 2 243.351 0.469 20 0 BCADLP Cn1nncc1C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877742952 590409938 /nfs/dbraw/zinc/40/99/38/590409938.db2.gz HQDYLYFEGGCFFJ-JQWIXIFHSA-N 2 2 235.335 0.341 20 0 BCADLP Cn1nncc1C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877742952 590409941 /nfs/dbraw/zinc/40/99/41/590409941.db2.gz HQDYLYFEGGCFFJ-JQWIXIFHSA-N 2 2 235.335 0.341 20 0 BCADLP Cn1nncc1C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877742952 590409944 /nfs/dbraw/zinc/40/99/44/590409944.db2.gz HQDYLYFEGGCFFJ-JQWIXIFHSA-N 2 2 235.335 0.341 20 0 BCADLP Cn1nncc1C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877742952 590409947 /nfs/dbraw/zinc/40/99/47/590409947.db2.gz HQDYLYFEGGCFFJ-JQWIXIFHSA-N 2 2 235.335 0.341 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cn1 ZINC000877743522 590411967 /nfs/dbraw/zinc/41/19/67/590411967.db2.gz KZJSKERULOOSEG-CHWSQXEVSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cn1 ZINC000877743522 590411970 /nfs/dbraw/zinc/41/19/70/590411970.db2.gz KZJSKERULOOSEG-CHWSQXEVSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cn1 ZINC000877743522 590411973 /nfs/dbraw/zinc/41/19/73/590411973.db2.gz KZJSKERULOOSEG-CHWSQXEVSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cn1 ZINC000877743522 590411974 /nfs/dbraw/zinc/41/19/74/590411974.db2.gz KZJSKERULOOSEG-CHWSQXEVSA-N 2 2 234.347 0.946 20 0 BCADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCn3cnnn3)C2)[nH]1 ZINC000878252287 590529100 /nfs/dbraw/zinc/52/91/00/590529100.db2.gz HNFOYVBJVCWKTJ-JTQLQIEISA-N 2 2 247.306 0.276 20 0 BCADLP c1c[nH+]c([C@H]2CCC[N@H+](CCn3cnnn3)C2)[nH]1 ZINC000878252287 590529104 /nfs/dbraw/zinc/52/91/04/590529104.db2.gz HNFOYVBJVCWKTJ-JTQLQIEISA-N 2 2 247.306 0.276 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000878560315 590591928 /nfs/dbraw/zinc/59/19/28/590591928.db2.gz CCPWBDBDAUUJTB-JTQLQIEISA-N 2 2 245.273 0.929 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000878560315 590591929 /nfs/dbraw/zinc/59/19/29/590591929.db2.gz CCPWBDBDAUUJTB-JTQLQIEISA-N 2 2 245.273 0.929 20 0 BCADLP Cn1c[nH+]cc1CC[NH2+][C@@]1(C)CCOC1=O ZINC000878633277 590598563 /nfs/dbraw/zinc/59/85/63/590598563.db2.gz WXPHQJLGFVIOFG-NSHDSACASA-N 2 2 223.276 0.258 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879566620 590805776 /nfs/dbraw/zinc/80/57/76/590805776.db2.gz HYMBHAJENIFSGI-QWRGUYRKSA-N 2 2 225.336 0.101 20 0 BCADLP CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879566620 590805778 /nfs/dbraw/zinc/80/57/78/590805778.db2.gz HYMBHAJENIFSGI-QWRGUYRKSA-N 2 2 225.336 0.101 20 0 BCADLP CN(C)C(=O)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879566620 590805783 /nfs/dbraw/zinc/80/57/83/590805783.db2.gz HYMBHAJENIFSGI-QWRGUYRKSA-N 2 2 225.336 0.101 20 0 BCADLP CN(C)C(=O)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879566620 590805786 /nfs/dbraw/zinc/80/57/86/590805786.db2.gz HYMBHAJENIFSGI-QWRGUYRKSA-N 2 2 225.336 0.101 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879566618 590807664 /nfs/dbraw/zinc/80/76/64/590807664.db2.gz HYMBHAJENIFSGI-GHMZBOCLSA-N 2 2 225.336 0.101 20 0 BCADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879566618 590807667 /nfs/dbraw/zinc/80/76/67/590807667.db2.gz HYMBHAJENIFSGI-GHMZBOCLSA-N 2 2 225.336 0.101 20 0 BCADLP CN(C)C(=O)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879566618 590807672 /nfs/dbraw/zinc/80/76/72/590807672.db2.gz HYMBHAJENIFSGI-GHMZBOCLSA-N 2 2 225.336 0.101 20 0 BCADLP CN(C)C(=O)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879566618 590807678 /nfs/dbraw/zinc/80/76/78/590807678.db2.gz HYMBHAJENIFSGI-GHMZBOCLSA-N 2 2 225.336 0.101 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879567202 590807841 /nfs/dbraw/zinc/80/78/41/590807841.db2.gz NPFXNQIGZVDCDA-WOPDTQHZSA-N 2 2 239.363 0.489 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879567202 590807845 /nfs/dbraw/zinc/80/78/45/590807845.db2.gz NPFXNQIGZVDCDA-WOPDTQHZSA-N 2 2 239.363 0.489 20 0 BCADLP C[C@H](C(=O)N(C)C)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879567202 590807848 /nfs/dbraw/zinc/80/78/48/590807848.db2.gz NPFXNQIGZVDCDA-WOPDTQHZSA-N 2 2 239.363 0.489 20 0 BCADLP C[C@H](C(=O)N(C)C)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879567202 590807854 /nfs/dbraw/zinc/80/78/54/590807854.db2.gz NPFXNQIGZVDCDA-WOPDTQHZSA-N 2 2 239.363 0.489 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](CCn3cncn3)CC[C@@H]21 ZINC000879571504 590811254 /nfs/dbraw/zinc/81/12/54/590811254.db2.gz ASJQTLLQAQPRSY-NEPJUHHUSA-N 2 2 235.335 0.304 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](CCn3cncn3)CC[C@@H]21 ZINC000879571504 590811257 /nfs/dbraw/zinc/81/12/57/590811257.db2.gz ASJQTLLQAQPRSY-NEPJUHHUSA-N 2 2 235.335 0.304 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]21 ZINC000879571504 590811263 /nfs/dbraw/zinc/81/12/63/590811263.db2.gz ASJQTLLQAQPRSY-NEPJUHHUSA-N 2 2 235.335 0.304 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]21 ZINC000879571504 590811268 /nfs/dbraw/zinc/81/12/68/590811268.db2.gz ASJQTLLQAQPRSY-NEPJUHHUSA-N 2 2 235.335 0.304 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879574000 590813659 /nfs/dbraw/zinc/81/36/59/590813659.db2.gz VOVCZMNZDXEBGY-HBNTYKKESA-N 2 2 225.336 0.276 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879574000 590813662 /nfs/dbraw/zinc/81/36/62/590813662.db2.gz VOVCZMNZDXEBGY-HBNTYKKESA-N 2 2 225.336 0.276 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879574000 590813664 /nfs/dbraw/zinc/81/36/64/590813664.db2.gz VOVCZMNZDXEBGY-HBNTYKKESA-N 2 2 225.336 0.276 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879574000 590813667 /nfs/dbraw/zinc/81/36/67/590813667.db2.gz VOVCZMNZDXEBGY-HBNTYKKESA-N 2 2 225.336 0.276 20 0 BCADLP CCN(C#N)CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879581342 590819936 /nfs/dbraw/zinc/81/99/36/590819936.db2.gz YRIAOQOYHWJCNX-CHWSQXEVSA-N 2 2 236.363 0.815 20 0 BCADLP CCN(C#N)CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879581342 590819937 /nfs/dbraw/zinc/81/99/37/590819937.db2.gz YRIAOQOYHWJCNX-CHWSQXEVSA-N 2 2 236.363 0.815 20 0 BCADLP CCN(C#N)CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879581342 590819940 /nfs/dbraw/zinc/81/99/40/590819940.db2.gz YRIAOQOYHWJCNX-CHWSQXEVSA-N 2 2 236.363 0.815 20 0 BCADLP CCN(C#N)CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879581342 590819943 /nfs/dbraw/zinc/81/99/43/590819943.db2.gz YRIAOQOYHWJCNX-CHWSQXEVSA-N 2 2 236.363 0.815 20 0 BCADLP CON(C)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879582280 590822606 /nfs/dbraw/zinc/82/26/06/590822606.db2.gz RDOQOJGTRWWYGP-GHMZBOCLSA-N 2 2 241.335 0.032 20 0 BCADLP CON(C)C(=O)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879582280 590822608 /nfs/dbraw/zinc/82/26/08/590822608.db2.gz RDOQOJGTRWWYGP-GHMZBOCLSA-N 2 2 241.335 0.032 20 0 BCADLP CON(C)C(=O)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879582280 590822610 /nfs/dbraw/zinc/82/26/10/590822610.db2.gz RDOQOJGTRWWYGP-GHMZBOCLSA-N 2 2 241.335 0.032 20 0 BCADLP CON(C)C(=O)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879582280 590822612 /nfs/dbraw/zinc/82/26/12/590822612.db2.gz RDOQOJGTRWWYGP-GHMZBOCLSA-N 2 2 241.335 0.032 20 0 BCADLP Cn1c[nH+]c(CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000879580447 590822753 /nfs/dbraw/zinc/82/27/53/590822753.db2.gz HROAGBSQGVMHNW-DGCLKSJQSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1c[nH+]c(CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000879580447 590822756 /nfs/dbraw/zinc/82/27/56/590822756.db2.gz HROAGBSQGVMHNW-DGCLKSJQSA-N 2 2 234.347 0.946 20 0 BCADLP COCCOCC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880133116 590933759 /nfs/dbraw/zinc/93/37/59/590933759.db2.gz NCUVTLYYTIWEQJ-OLZOCXBDSA-N 2 2 242.363 0.818 20 0 BCADLP COCCOCC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880133116 590933761 /nfs/dbraw/zinc/93/37/61/590933761.db2.gz NCUVTLYYTIWEQJ-OLZOCXBDSA-N 2 2 242.363 0.818 20 0 BCADLP COCCOCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880133116 590933765 /nfs/dbraw/zinc/93/37/65/590933765.db2.gz NCUVTLYYTIWEQJ-OLZOCXBDSA-N 2 2 242.363 0.818 20 0 BCADLP COCCOCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880133116 590933767 /nfs/dbraw/zinc/93/37/67/590933767.db2.gz NCUVTLYYTIWEQJ-OLZOCXBDSA-N 2 2 242.363 0.818 20 0 BCADLP CSC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880136853 590936875 /nfs/dbraw/zinc/93/68/75/590936875.db2.gz TXQWKWLCVKCSEQ-WOPDTQHZSA-N 2 2 244.404 0.879 20 0 BCADLP CSC[C@H](O)C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880136853 590936877 /nfs/dbraw/zinc/93/68/77/590936877.db2.gz TXQWKWLCVKCSEQ-WOPDTQHZSA-N 2 2 244.404 0.879 20 0 BCADLP CSC[C@H](O)C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880136853 590936878 /nfs/dbraw/zinc/93/68/78/590936878.db2.gz TXQWKWLCVKCSEQ-WOPDTQHZSA-N 2 2 244.404 0.879 20 0 BCADLP CSC[C@H](O)C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880136853 590936879 /nfs/dbraw/zinc/93/68/79/590936879.db2.gz TXQWKWLCVKCSEQ-WOPDTQHZSA-N 2 2 244.404 0.879 20 0 BCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H]1COCCO1 ZINC000880142824 590942870 /nfs/dbraw/zinc/94/28/70/590942870.db2.gz UYAWOIZZXWHAER-RWMBFGLXSA-N 2 2 240.347 0.570 20 0 BCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H]1COCCO1 ZINC000880142824 590942873 /nfs/dbraw/zinc/94/28/73/590942873.db2.gz UYAWOIZZXWHAER-RWMBFGLXSA-N 2 2 240.347 0.570 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H]1COCCO1 ZINC000880142824 590942877 /nfs/dbraw/zinc/94/28/77/590942877.db2.gz UYAWOIZZXWHAER-RWMBFGLXSA-N 2 2 240.347 0.570 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H]1COCCO1 ZINC000880142824 590942880 /nfs/dbraw/zinc/94/28/80/590942880.db2.gz UYAWOIZZXWHAER-RWMBFGLXSA-N 2 2 240.347 0.570 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)C1(COC)CCC1 ZINC000880185175 590952323 /nfs/dbraw/zinc/95/23/23/590952323.db2.gz HTAKNWJKNWEQQG-LBPRGKRZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)C1(COC)CCC1 ZINC000880185175 590952326 /nfs/dbraw/zinc/95/23/26/590952326.db2.gz HTAKNWJKNWEQQG-LBPRGKRZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)C1(COC)CCC1 ZINC000880185175 590952327 /nfs/dbraw/zinc/95/23/27/590952327.db2.gz HTAKNWJKNWEQQG-LBPRGKRZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)C1(COC)CCC1 ZINC000880185175 590952330 /nfs/dbraw/zinc/95/23/30/590952330.db2.gz HTAKNWJKNWEQQG-LBPRGKRZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](CC)CCC[N@@H+]1CC=C[C@@H]1CO ZINC000880488300 591063263 /nfs/dbraw/zinc/06/32/63/591063263.db2.gz BUQLMOOCWPKBSD-GFCCVEGCSA-N 2 2 212.337 0.951 20 0 BCADLP CC[NH+](CC)CCC[N@H+]1CC=C[C@@H]1CO ZINC000880488300 591063265 /nfs/dbraw/zinc/06/32/65/591063265.db2.gz BUQLMOOCWPKBSD-GFCCVEGCSA-N 2 2 212.337 0.951 20 0 BCADLP Cc1[nH+]cnc(N2C[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000881834005 591273781 /nfs/dbraw/zinc/27/37/81/591273781.db2.gz NEPDEDVVBYDYSA-PHIMTYICSA-N 2 2 218.304 0.749 20 0 BCADLP COC[C@@](C)([NH3+])CNc1nc[nH+]c(C)c1C ZINC000881984328 591285420 /nfs/dbraw/zinc/28/54/20/591285420.db2.gz KZHIHUADBJCVDM-NSHDSACASA-N 2 2 224.308 0.869 20 0 BCADLP CON(C)CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000883170811 591560797 /nfs/dbraw/zinc/56/07/97/591560797.db2.gz DSOVQJUAXXLICX-UHFFFAOYSA-N 2 2 241.339 0.069 20 0 BCADLP COC[C@@H]([NH2+]CC[NH+](C)C)[C@@H]1CCCOC1 ZINC000883222604 591578086 /nfs/dbraw/zinc/57/80/86/591578086.db2.gz WOVLGZPVGKAULH-VXGBXAGGSA-N 2 2 230.352 0.579 20 0 BCADLP c1n[nH]cc1CC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000883433454 591664599 /nfs/dbraw/zinc/66/45/99/591664599.db2.gz QHRACDBDFFMJRZ-GFCCVEGCSA-N 2 2 220.320 0.780 20 0 BCADLP c1n[nH]cc1CC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000883433454 591664603 /nfs/dbraw/zinc/66/46/03/591664603.db2.gz QHRACDBDFFMJRZ-GFCCVEGCSA-N 2 2 220.320 0.780 20 0 BCADLP Cc1nonc1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000883441062 591668758 /nfs/dbraw/zinc/66/87/58/591668758.db2.gz GQQFXNDRZUEIJS-DTWKUNHWSA-N 2 2 210.281 0.593 20 0 BCADLP CCn1ncc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)n1 ZINC000883441711 591670130 /nfs/dbraw/zinc/67/01/30/591670130.db2.gz WAFQEQZJICFHOB-UWVGGRQHSA-N 2 2 223.324 0.513 20 0 BCADLP C([C@H]1CC[NH2+]C1)[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000883456823 591672163 /nfs/dbraw/zinc/67/21/63/591672163.db2.gz KONKUDGDCIHPCY-LBPRGKRZSA-N 3 2 223.364 0.814 20 0 BCADLP C([C@H]1CC[NH2+]C1)[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883456823 591672164 /nfs/dbraw/zinc/67/21/64/591672164.db2.gz KONKUDGDCIHPCY-LBPRGKRZSA-N 3 2 223.364 0.814 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)c[nH+]1 ZINC000884360376 591914826 /nfs/dbraw/zinc/91/48/26/591914826.db2.gz ZGHOAFLNBLPCEN-BDAKNGLRSA-N 2 2 222.292 0.574 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)c[nH+]1 ZINC000884360378 591914867 /nfs/dbraw/zinc/91/48/67/591914867.db2.gz ZGHOAFLNBLPCEN-IUCAKERBSA-N 2 2 222.292 0.574 20 0 BCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c[nH+]1 ZINC000884458022 591940457 /nfs/dbraw/zinc/94/04/57/591940457.db2.gz UGKDTBOUNUXHFW-QWRGUYRKSA-N 2 2 248.330 0.499 20 0 BCADLP C[C@@H](CCn1cccn1)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000134632468 591943045 /nfs/dbraw/zinc/94/30/45/591943045.db2.gz MKRHMBPOUVZHLN-RYUDHWBXSA-N 2 2 222.336 0.955 20 0 BCADLP C[C@@H](CCn1cccn1)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000134632468 591943047 /nfs/dbraw/zinc/94/30/47/591943047.db2.gz MKRHMBPOUVZHLN-RYUDHWBXSA-N 2 2 222.336 0.955 20 0 BCADLP C[N@H+](CCO)CCNc1cc[nH+]c2ccncc12 ZINC000884824634 592021824 /nfs/dbraw/zinc/02/18/24/592021824.db2.gz FQIXYVDMPQURPD-UHFFFAOYSA-N 2 2 246.314 0.388 20 0 BCADLP C[N@@H+](CCO)CCNc1cc[nH+]c2ccncc12 ZINC000884824634 592021826 /nfs/dbraw/zinc/02/18/26/592021826.db2.gz FQIXYVDMPQURPD-UHFFFAOYSA-N 2 2 246.314 0.388 20 0 BCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000886522731 592243878 /nfs/dbraw/zinc/24/38/78/592243878.db2.gz PZCAVWWFYDVWJE-HBNTYKKESA-N 2 2 228.336 0.868 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886859956 592372049 /nfs/dbraw/zinc/37/20/49/592372049.db2.gz LURNNICIPLGZPZ-UPJWGTAASA-N 2 2 240.347 0.476 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886859956 592372055 /nfs/dbraw/zinc/37/20/55/592372055.db2.gz LURNNICIPLGZPZ-UPJWGTAASA-N 2 2 240.347 0.476 20 0 BCADLP [NH2+]=C(NCCCn1cc[nH+]c1)NCC1CC1 ZINC000887346323 592484097 /nfs/dbraw/zinc/48/40/97/592484097.db2.gz YNSNBFWTHSTGAV-UHFFFAOYSA-N 2 2 221.308 0.797 20 0 BCADLP Cn1c[nH+]c(CNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000890104023 592680230 /nfs/dbraw/zinc/68/02/30/592680230.db2.gz UDLLAUJPFKBZMR-JTQLQIEISA-N 2 2 222.292 0.131 20 0 BCADLP Cn1c[nH+]c(CNC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC000890104023 592680232 /nfs/dbraw/zinc/68/02/32/592680232.db2.gz UDLLAUJPFKBZMR-JTQLQIEISA-N 2 2 222.292 0.131 20 0 BCADLP Cn1c[nH+]c(CNC(=O)CCCC[NH+](C)C)c1 ZINC000890114249 592684650 /nfs/dbraw/zinc/68/46/50/592684650.db2.gz ZSAPNULEDPLKSM-UHFFFAOYSA-N 2 2 238.335 0.768 20 0 BCADLP [NH3+]CCCCCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925714423 634425248 /nfs/dbraw/zinc/42/52/48/634425248.db2.gz YLHKZLOBGKVVJC-NSHDSACASA-N 3 2 215.341 0.084 20 0 BCADLP [NH3+]CCCCCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925714422 634425748 /nfs/dbraw/zinc/42/57/48/634425748.db2.gz YLHKZLOBGKVVJC-LLVKDONJSA-N 3 2 215.341 0.084 20 0 BCADLP COC(=O)C1=CC[C@@H]([NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC000925723593 634474184 /nfs/dbraw/zinc/47/41/84/634474184.db2.gz RSELIQXUGOHNIH-MNOVXSKESA-N 2 2 238.331 0.978 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335512352 634479645 /nfs/dbraw/zinc/47/96/45/634479645.db2.gz UFQINBOGHLDXJA-ZDUSSCGKSA-N 2 2 248.330 0.628 20 0 BCADLP CCC[C@H](O)CC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000925855015 635544627 /nfs/dbraw/zinc/54/46/27/635544627.db2.gz FYNDBHVXACHKJW-AVGNSLFASA-N 2 2 244.379 0.894 20 0 BCADLP C[C@H]([NH2+][C@@H]1CNOC1)c1c[nH+]ccc1N ZINC000925858975 635552113 /nfs/dbraw/zinc/55/21/13/635552113.db2.gz DRKPOMVDDWNBLY-JGVFFNPUSA-N 2 2 208.265 0.048 20 0 BCADLP c1ccc([C@H]2C[C@@H]([NH2+][C@H]3CNOC3)CC[NH2+]2)cc1 ZINC000925865440 635566382 /nfs/dbraw/zinc/56/63/82/635566382.db2.gz RAQMBANDAKEEMP-MELADBBJSA-N 2 2 247.342 0.973 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCOC1CCOCC1 ZINC000925878208 635605446 /nfs/dbraw/zinc/60/54/46/635605446.db2.gz RKKQARJXEGSTIN-DGCLKSJQSA-N 2 2 242.363 0.912 20 0 BCADLP C[N@H+](C[C@H]([NH3+])CC(F)F)[C@@H]1CCOC1 ZINC000308463018 631301189 /nfs/dbraw/zinc/30/11/89/631301189.db2.gz GGQLMQOGJIHTFU-HTQZYQBOSA-N 2 2 208.252 0.690 20 0 BCADLP C[N@@H+](C[C@H]([NH3+])CC(F)F)[C@@H]1CCOC1 ZINC000308463018 631301192 /nfs/dbraw/zinc/30/11/92/631301192.db2.gz GGQLMQOGJIHTFU-HTQZYQBOSA-N 2 2 208.252 0.690 20 0 BCADLP OC[C@@H]1CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000934016966 631615199 /nfs/dbraw/zinc/61/51/99/631615199.db2.gz PEJFUNUNVALINZ-LBPRGKRZSA-N 2 2 212.337 0.929 20 0 BCADLP OC[C@@H]1CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000934016966 631615203 /nfs/dbraw/zinc/61/52/03/631615203.db2.gz PEJFUNUNVALINZ-LBPRGKRZSA-N 2 2 212.337 0.929 20 0 BCADLP Cl/C=C\C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000309029955 631803934 /nfs/dbraw/zinc/80/39/34/631803934.db2.gz AVYBZAOJBCHBII-DGWOPVBCSA-N 2 2 229.755 0.718 20 0 BCADLP C[C@H]1CC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000309204928 631967745 /nfs/dbraw/zinc/96/77/45/631967745.db2.gz MGHKKHOIDACDFN-QWRGUYRKSA-N 2 2 225.336 0.149 20 0 BCADLP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]CC[NH+]1CCCC1 ZINC000310465008 632744356 /nfs/dbraw/zinc/74/43/56/632744356.db2.gz WWSWLXSPWHDCIN-NWDGAFQWSA-N 2 2 239.363 0.729 20 0 BCADLP O[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)C(F)(F)F ZINC000309300236 632905815 /nfs/dbraw/zinc/90/58/15/632905815.db2.gz SXJSDHKOHSBLLF-HRDYMLBCSA-N 2 2 238.253 0.593 20 0 BCADLP O[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)C(F)(F)F ZINC000309300236 632905819 /nfs/dbraw/zinc/90/58/19/632905819.db2.gz SXJSDHKOHSBLLF-HRDYMLBCSA-N 2 2 238.253 0.593 20 0 BCADLP C[C@H]1[C@H](NC(=O)CNc2cccc[nH+]2)CC[N@@H+]1C ZINC000928431246 635915056 /nfs/dbraw/zinc/91/50/56/635915056.db2.gz MFYXUDLXCUTUPI-WDEREUQCSA-N 2 2 248.330 0.702 20 0 BCADLP C[C@H]1[C@H](NC(=O)CNc2cccc[nH+]2)CC[N@H+]1C ZINC000928431246 635915060 /nfs/dbraw/zinc/91/50/60/635915060.db2.gz MFYXUDLXCUTUPI-WDEREUQCSA-N 2 2 248.330 0.702 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328446999 633765462 /nfs/dbraw/zinc/76/54/62/633765462.db2.gz OJSHQDUSJZIMLG-DCHHYWPUSA-N 2 2 237.347 0.097 20 0 BCADLP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925561307 634044318 /nfs/dbraw/zinc/04/43/18/634044318.db2.gz QLDDHUWIXFDAMB-GRYCIOLGSA-N 2 2 239.363 0.727 20 0 BCADLP C([NH2+][C@H]1C[NH2+]CCOC1)C1(C2CC2)CC1 ZINC000925590404 634103039 /nfs/dbraw/zinc/10/30/39/634103039.db2.gz QHEZUDKVCXJGMH-NSHDSACASA-N 2 2 210.321 0.755 20 0 BCADLP Cc1cc(NC(=O)CC[N@@H+](C)C[C@H](C)[NH3+])no1 ZINC000310285029 634106292 /nfs/dbraw/zinc/10/62/92/634106292.db2.gz LYBSPLZJMSRSQU-QMMMGPOBSA-N 2 2 240.307 0.591 20 0 BCADLP Cc1cc(NC(=O)CC[N@H+](C)C[C@H](C)[NH3+])no1 ZINC000310285029 634106299 /nfs/dbraw/zinc/10/62/99/634106299.db2.gz LYBSPLZJMSRSQU-QMMMGPOBSA-N 2 2 240.307 0.591 20 0 BCADLP CO[C@@H]1COC[C@H]1[NH2+]Cc1[nH]c(C)[nH+]c1C ZINC000930818441 634116128 /nfs/dbraw/zinc/11/61/28/634116128.db2.gz XISVLKYOPGTRHB-GHMZBOCLSA-N 2 2 225.292 0.530 20 0 BCADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000310355347 634131003 /nfs/dbraw/zinc/13/10/03/634131003.db2.gz QPJKTSWFJIUQJT-WOPDTQHZSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000310355347 634131005 /nfs/dbraw/zinc/13/10/05/634131005.db2.gz QPJKTSWFJIUQJT-WOPDTQHZSA-N 2 2 239.363 0.727 20 0 BCADLP CC(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925603708 634132047 /nfs/dbraw/zinc/13/20/47/634132047.db2.gz DERNPRRGNOITOU-XQQFMLRXSA-N 2 2 242.363 0.626 20 0 BCADLP CCOCCC1(C[NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925620601 634180605 /nfs/dbraw/zinc/18/06/05/634180605.db2.gz CCMUXUJFEGTCQA-GFCCVEGCSA-N 2 2 242.363 0.771 20 0 BCADLP C[C@@H]1C[C@@H](C[NH2+][C@@H]2C[NH2+]CCOC2)C[C@H](C)O1 ZINC000925654452 634216840 /nfs/dbraw/zinc/21/68/40/634216840.db2.gz MNRQRAFHXLXBDN-YVECIDJPSA-N 2 2 242.363 0.768 20 0 BCADLP C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925686361 634299779 /nfs/dbraw/zinc/29/97/79/634299779.db2.gz SBOURLJHESRAGN-QCNOEVLYSA-N 2 2 210.321 0.753 20 0 BCADLP C(C[NH2+][C@@H]1C[NH2+]CCOC1)C[C@@H]1CCOC1 ZINC000925687389 634304095 /nfs/dbraw/zinc/30/40/95/634304095.db2.gz JRLWFHRRGJWLAM-VXGBXAGGSA-N 2 2 228.336 0.381 20 0 BCADLP C([NH2+][C@@H]1C[NH2+]CCOC1)[C@@H]1C[C@H]1C1CC1 ZINC000925689325 634306950 /nfs/dbraw/zinc/30/69/50/634306950.db2.gz FWDGMJANILZYKU-TUAOUCFPSA-N 2 2 210.321 0.611 20 0 BCADLP OC[C@@H]1CCC[C@@H]([NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925695178 634341661 /nfs/dbraw/zinc/34/16/61/634341661.db2.gz WYGYBXJODSAVIB-UTUOFQBUSA-N 2 2 228.336 0.116 20 0 BCADLP OC[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925695176 634342740 /nfs/dbraw/zinc/34/27/40/634342740.db2.gz WYGYBXJODSAVIB-IJLUTSLNSA-N 2 2 228.336 0.116 20 0 BCADLP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CC[NH2+]C2)C12CCC2 ZINC000925700074 634368656 /nfs/dbraw/zinc/36/86/56/634368656.db2.gz RILVFUJRXQKINY-AXFHLTTASA-N 3 2 209.337 0.455 20 0 BCADLP CC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980540133 635235510 /nfs/dbraw/zinc/23/55/10/635235510.db2.gz XTCPCEQDGJGTKS-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP CC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980540133 635235520 /nfs/dbraw/zinc/23/55/20/635235520.db2.gz XTCPCEQDGJGTKS-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000989857870 636887023 /nfs/dbraw/zinc/88/70/23/636887023.db2.gz UAXUUEAKRGIGTM-GHMZBOCLSA-N 2 2 236.319 0.482 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000040601184 636936762 /nfs/dbraw/zinc/93/67/62/636936762.db2.gz BXIKWXUDJHVQFR-LBPRGKRZSA-N 2 2 241.379 0.786 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000040601184 636936769 /nfs/dbraw/zinc/93/67/69/636936769.db2.gz BXIKWXUDJHVQFR-LBPRGKRZSA-N 2 2 241.379 0.786 20 0 BCADLP COCCC[N@H+](CCOC)C[C@@H]1CCC[NH2+]1 ZINC000042425399 637243155 /nfs/dbraw/zinc/24/31/55/637243155.db2.gz VIGYWRXRVBXPHC-LBPRGKRZSA-N 2 2 230.352 0.723 20 0 BCADLP COCCC[N@@H+](CCOC)C[C@@H]1CCC[NH2+]1 ZINC000042425399 637243167 /nfs/dbraw/zinc/24/31/67/637243167.db2.gz VIGYWRXRVBXPHC-LBPRGKRZSA-N 2 2 230.352 0.723 20 0 BCADLP Cc1cc(C)[nH+]c(CN2CCC[C@]([NH3+])(CO)C2)c1 ZINC000903789651 637383506 /nfs/dbraw/zinc/38/35/06/637383506.db2.gz YWXCFFZBKWBMHS-CQSZACIVSA-N 2 2 249.358 0.984 20 0 BCADLP C(C[NH+]1CCOCC1)N1CCC[C@]12CC[NH2+]C2 ZINC000903866548 637386564 /nfs/dbraw/zinc/38/65/64/637386564.db2.gz KPIZYSFWVGEJKV-CYBMUJFWSA-N 2 2 239.363 0.147 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[NH2+][C@@]1(C)CCNC1=O ZINC000904469278 637423418 /nfs/dbraw/zinc/42/34/18/637423418.db2.gz LANRRQQEUOKYGI-KOLCDFICSA-N 2 2 213.325 0.228 20 0 BCADLP [NH3+]C1(C[NH2+]Cc2cnc3ccccn23)CC1 ZINC000904451648 637417653 /nfs/dbraw/zinc/41/76/53/637417653.db2.gz XZNRTZDCWMRXQI-UHFFFAOYSA-N 2 2 216.288 0.915 20 0 BCADLP O[C@H](C[NH2+]CCn1cc[nH+]c1)C1(O)CCCC1 ZINC000905036296 637556169 /nfs/dbraw/zinc/55/61/69/637556169.db2.gz QSHHZMACAOGGOC-LLVKDONJSA-N 2 2 239.319 0.139 20 0 BCADLP [NH3+][C@H](CC1CC1)c1nc(C2([NH3+])CC2)no1 ZINC000905328519 637740696 /nfs/dbraw/zinc/74/06/96/637740696.db2.gz BHHYEKMXQFRFCQ-SSDOTTSWSA-N 2 2 208.265 0.817 20 0 BCADLP [NH3+]C1(c2noc([C@H]3CCCC[NH2+]3)n2)CC1 ZINC000905314467 637740792 /nfs/dbraw/zinc/74/07/92/637740792.db2.gz JWDUIHGOWNMAIX-SSDOTTSWSA-N 2 2 208.265 0.832 20 0 BCADLP [NH3+]C1(c2noc(C[NH2+]CC3CC3)n2)CC1 ZINC000905315163 637744107 /nfs/dbraw/zinc/74/41/07/637744107.db2.gz RDCZQQYLSBDCOJ-UHFFFAOYSA-N 2 2 208.265 0.517 20 0 BCADLP CC(C)[N@H+](C)Cc1nc(C2([NH3+])CC2)no1 ZINC000905321203 637746909 /nfs/dbraw/zinc/74/69/09/637746909.db2.gz DXQNNIDZFITTRK-UHFFFAOYSA-N 2 2 210.281 0.858 20 0 BCADLP CC(C)[N@@H+](C)Cc1nc(C2([NH3+])CC2)no1 ZINC000905321203 637746916 /nfs/dbraw/zinc/74/69/16/637746916.db2.gz DXQNNIDZFITTRK-UHFFFAOYSA-N 2 2 210.281 0.858 20 0 BCADLP [NH3+][C@@H](c1nc(C2([NH3+])CC2)no1)C1CCC1 ZINC000905327715 637759399 /nfs/dbraw/zinc/75/93/99/637759399.db2.gz RHGOJPYRPQTGCE-SSDOTTSWSA-N 2 2 208.265 0.817 20 0 BCADLP C[N@H+](C[C@H](O)C[NH2+]C/C=C\Cl)C1CC1 ZINC000905707434 637892297 /nfs/dbraw/zinc/89/22/97/637892297.db2.gz JLMMIIFUGDVAPG-XJIUSYNZSA-N 2 2 218.728 0.784 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH2+]C/C=C\Cl)C1CC1 ZINC000905707434 637892298 /nfs/dbraw/zinc/89/22/98/637892298.db2.gz JLMMIIFUGDVAPG-XJIUSYNZSA-N 2 2 218.728 0.784 20 0 BCADLP Cc1nn(C)c(Cl)c1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906508693 638181700 /nfs/dbraw/zinc/18/17/00/638181700.db2.gz UZHYGTTUGQTXJB-ZKCHVHJHSA-N 2 2 228.727 0.961 20 0 BCADLP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000906517593 638186677 /nfs/dbraw/zinc/18/66/77/638186677.db2.gz IBJBOIAAYDHPEH-SYLRKERUSA-N 3 2 223.364 0.986 20 0 BCADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2nccn2C2CC2)C1 ZINC000906519233 638187934 /nfs/dbraw/zinc/18/79/34/638187934.db2.gz VRXUYBLLALZRET-KYZUINATSA-N 2 2 206.293 0.797 20 0 BCADLP COC(=O)c1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)o1 ZINC000906517322 638188357 /nfs/dbraw/zinc/18/83/57/638188357.db2.gz MMQHNYMOAWCVBI-ZKCHVHJHSA-N 2 2 224.260 0.646 20 0 BCADLP C[NH+](C)CC1(NC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC000907964771 638518435 /nfs/dbraw/zinc/51/84/35/638518435.db2.gz ZNCGEESKZPIEOG-UHFFFAOYSA-N 2 2 236.319 0.553 20 0 BCADLP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000911660942 639693213 /nfs/dbraw/zinc/69/32/13/639693213.db2.gz PQRVUOKASNYGAL-MNOVXSKESA-N 2 2 248.330 0.266 20 0 BCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911674985 639715021 /nfs/dbraw/zinc/71/50/21/639715021.db2.gz ZFDJRFPQCXMCHL-GMTAPVOTSA-N 2 2 248.330 0.392 20 0 BCADLP CC[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000911687162 639726426 /nfs/dbraw/zinc/72/64/26/639726426.db2.gz DFCFZMUDVPDAHM-SNVBAGLBSA-N 2 2 238.335 0.704 20 0 BCADLP CC[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000911687162 639726431 /nfs/dbraw/zinc/72/64/31/639726431.db2.gz DFCFZMUDVPDAHM-SNVBAGLBSA-N 2 2 238.335 0.704 20 0 BCADLP CN(C(=O)C[C@@H]([NH3+])C(F)F)C1CC[NH2+]CC1 ZINC000911693060 639726839 /nfs/dbraw/zinc/72/68/39/639726839.db2.gz ZJILEEYHDXCLGI-MRVPVSSYSA-N 2 2 235.278 0.179 20 0 BCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000911696181 639729812 /nfs/dbraw/zinc/72/98/12/639729812.db2.gz RZZGMQDZBYKMRA-BDAKNGLRSA-N 2 2 222.292 0.066 20 0 BCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000911696181 639729820 /nfs/dbraw/zinc/72/98/20/639729820.db2.gz RZZGMQDZBYKMRA-BDAKNGLRSA-N 2 2 222.292 0.066 20 0 BCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911673331 639735601 /nfs/dbraw/zinc/73/56/01/639735601.db2.gz LNLMZAXIXFTUOK-VHSXEESVSA-N 2 2 236.319 0.457 20 0 BCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911673331 639735654 /nfs/dbraw/zinc/73/56/54/639735654.db2.gz LNLMZAXIXFTUOK-VHSXEESVSA-N 2 2 236.319 0.457 20 0 BCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC000911718145 639743368 /nfs/dbraw/zinc/74/33/68/639743368.db2.gz IGHVVEKLYZALPE-NXEZZACHSA-N 2 2 236.319 0.457 20 0 BCADLP C[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)[C@@H]1CCC[NH2+]C1 ZINC000911725666 639751896 /nfs/dbraw/zinc/75/18/96/639751896.db2.gz OFEIEQYPNNBLAE-DJLDLDEBSA-N 2 2 249.305 0.473 20 0 BCADLP [NH3+][C@H](CC(=O)NC[C@@H]1CCC[NH2+]C1)C(F)F ZINC000911706153 639760070 /nfs/dbraw/zinc/76/00/70/639760070.db2.gz FABYPEIKYIRCOL-HTQZYQBOSA-N 2 2 235.278 0.085 20 0 BCADLP [NH3+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000911738141 639764475 /nfs/dbraw/zinc/76/44/75/639764475.db2.gz HDJTYVMJSSZTHX-VIFPVBQESA-N 2 2 230.271 0.736 20 0 BCADLP C[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000911747350 639772396 /nfs/dbraw/zinc/77/23/96/639772396.db2.gz FCPPKGBUCDRYMU-UHFFFAOYSA-N 2 2 218.260 0.512 20 0 BCADLP [NH3+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000911733701 639789014 /nfs/dbraw/zinc/78/90/14/639789014.db2.gz AOBYNKBPGAUEAA-SECBINFHSA-N 2 2 244.298 0.984 20 0 BCADLP CC(C)[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000911764486 639791087 /nfs/dbraw/zinc/79/10/87/639791087.db2.gz ULDCLZQIWIGTHG-UHFFFAOYSA-N 2 2 224.308 0.457 20 0 BCADLP C[C@](C[NH3+])(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000911803196 639826023 /nfs/dbraw/zinc/82/60/23/639826023.db2.gz PTXFFWCGZBGGRF-LLVKDONJSA-N 2 2 222.292 0.196 20 0 BCADLP CC(C)C[C@@H](C[NH3+])NC(=O)Cc1[nH]cc[nH+]1 ZINC000911811927 639833282 /nfs/dbraw/zinc/83/32/82/639833282.db2.gz DVIQPRXODABAMQ-VIFPVBQESA-N 2 2 224.308 0.442 20 0 BCADLP CC(C)[C@H]([NH3+])CNC(=O)C[C@H]([NH3+])C(F)F ZINC000911823906 639838365 /nfs/dbraw/zinc/83/83/65/639838365.db2.gz AZBJGOGDMXXODW-NKWVEPMBSA-N 2 2 223.267 0.068 20 0 BCADLP C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C[NH3+] ZINC000911827209 639839197 /nfs/dbraw/zinc/83/91/97/639839197.db2.gz UTJZWLVXARVANW-ZJUUUORDSA-N 2 2 236.319 0.538 20 0 BCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000911835231 639845897 /nfs/dbraw/zinc/84/58/97/639845897.db2.gz SMMYDQCFTBAOJW-GZMMTYOYSA-N 2 2 236.319 0.442 20 0 BCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000911835231 639845899 /nfs/dbraw/zinc/84/58/99/639845899.db2.gz SMMYDQCFTBAOJW-GZMMTYOYSA-N 2 2 236.319 0.442 20 0 BCADLP CCC([NH3+])(CC)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000911859008 639850390 /nfs/dbraw/zinc/85/03/90/639850390.db2.gz ZGVIKIQSQWUNAC-UHFFFAOYSA-N 2 2 224.308 0.586 20 0 BCADLP Cc1[nH]c(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)c(C)[nH+]1 ZINC000931053687 640041308 /nfs/dbraw/zinc/04/13/08/640041308.db2.gz BSASECVIWPDUNT-PWSUYJOCSA-N 2 2 239.319 0.344 20 0 BCADLP Cc1[nH]c(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)c(C)[nH+]1 ZINC000931053687 640041314 /nfs/dbraw/zinc/04/13/14/640041314.db2.gz BSASECVIWPDUNT-PWSUYJOCSA-N 2 2 239.319 0.344 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC000931276669 640124162 /nfs/dbraw/zinc/12/41/62/640124162.db2.gz BFLFICBDWUMCDD-GDNZZTSVSA-N 2 2 220.320 0.375 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC000931276669 640124169 /nfs/dbraw/zinc/12/41/69/640124169.db2.gz BFLFICBDWUMCDD-GDNZZTSVSA-N 2 2 220.320 0.375 20 0 BCADLP CN1CCC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931278417 640127981 /nfs/dbraw/zinc/12/79/81/640127981.db2.gz CHGCVTDKEOPXMP-WHOHXGKFSA-N 2 2 237.347 0.099 20 0 BCADLP CN1CCC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931278417 640127987 /nfs/dbraw/zinc/12/79/87/640127987.db2.gz CHGCVTDKEOPXMP-WHOHXGKFSA-N 2 2 237.347 0.099 20 0 BCADLP CCn1cc(CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cn1 ZINC000931278713 640128118 /nfs/dbraw/zinc/12/81/18/640128118.db2.gz MEPMLYRKEIEUJN-WDNDVIMCSA-N 2 2 248.374 0.937 20 0 BCADLP CCn1cc(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cn1 ZINC000931278713 640128122 /nfs/dbraw/zinc/12/81/22/640128122.db2.gz MEPMLYRKEIEUJN-WDNDVIMCSA-N 2 2 248.374 0.937 20 0 BCADLP CN(C)C(=O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277751 640130032 /nfs/dbraw/zinc/13/00/32/640130032.db2.gz OPWNRIGOEDVPLB-PJXYFTJBSA-N 2 2 239.363 0.347 20 0 BCADLP CN(C)C(=O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277751 640130036 /nfs/dbraw/zinc/13/00/36/640130036.db2.gz OPWNRIGOEDVPLB-PJXYFTJBSA-N 2 2 239.363 0.347 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H]3CCCO3)C[C@H]21 ZINC000931283180 640137049 /nfs/dbraw/zinc/13/70/49/640137049.db2.gz SHYQYVGJPYHGAE-WYUUTHIRSA-N 2 2 210.321 0.657 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCCO3)C[C@H]21 ZINC000931283180 640137055 /nfs/dbraw/zinc/13/70/55/640137055.db2.gz SHYQYVGJPYHGAE-WYUUTHIRSA-N 2 2 210.321 0.657 20 0 BCADLP OCC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931288703 640137132 /nfs/dbraw/zinc/13/71/32/640137132.db2.gz SMQOPHXGZGJULF-UHFFFAOYSA-N 2 2 228.336 0.165 20 0 BCADLP OCC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931288703 640137137 /nfs/dbraw/zinc/13/71/37/640137137.db2.gz SMQOPHXGZGJULF-UHFFFAOYSA-N 2 2 228.336 0.165 20 0 BCADLP C[NH+]1C[C@@]2(C)C[NH+](CCn3cncn3)C[C@]2(C)C1 ZINC000931305126 640141704 /nfs/dbraw/zinc/14/17/04/640141704.db2.gz AUHYNJXLOCZQLC-STQMWFEESA-N 2 2 249.362 0.552 20 0 BCADLP Cn1ccnc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931433404 640203369 /nfs/dbraw/zinc/20/33/69/640203369.db2.gz AWOBQXJHYGMPAH-NEPJUHHUSA-N 2 2 234.347 0.804 20 0 BCADLP Cn1ccnc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931433404 640203373 /nfs/dbraw/zinc/20/33/73/640203373.db2.gz AWOBQXJHYGMPAH-NEPJUHHUSA-N 2 2 234.347 0.804 20 0 BCADLP Cn1ccnc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931433404 640203381 /nfs/dbraw/zinc/20/33/81/640203381.db2.gz AWOBQXJHYGMPAH-NEPJUHHUSA-N 2 2 234.347 0.804 20 0 BCADLP Cn1ccnc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931433404 640203387 /nfs/dbraw/zinc/20/33/87/640203387.db2.gz AWOBQXJHYGMPAH-NEPJUHHUSA-N 2 2 234.347 0.804 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3nccc(N)n3)C[C@@H]2C1 ZINC000931440901 640205264 /nfs/dbraw/zinc/20/52/64/640205264.db2.gz ZQLNGPRKYFJHTI-MNOVXSKESA-N 2 2 247.346 0.442 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3nccc(N)n3)C[C@@H]2C1 ZINC000931440901 640205275 /nfs/dbraw/zinc/20/52/75/640205275.db2.gz ZQLNGPRKYFJHTI-MNOVXSKESA-N 2 2 247.346 0.442 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3nccc(N)n3)C[C@@H]2C1 ZINC000931440901 640205280 /nfs/dbraw/zinc/20/52/80/640205280.db2.gz ZQLNGPRKYFJHTI-MNOVXSKESA-N 2 2 247.346 0.442 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3nccc(N)n3)C[C@@H]2C1 ZINC000931440901 640205284 /nfs/dbraw/zinc/20/52/84/640205284.db2.gz ZQLNGPRKYFJHTI-MNOVXSKESA-N 2 2 247.346 0.442 20 0 BCADLP Cn1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)n1 ZINC000931440907 640207209 /nfs/dbraw/zinc/20/72/09/640207209.db2.gz ZXUHMFSRZBJQCD-NEPJUHHUSA-N 2 2 234.347 0.804 20 0 BCADLP Cn1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)n1 ZINC000931440907 640207213 /nfs/dbraw/zinc/20/72/13/640207213.db2.gz ZXUHMFSRZBJQCD-NEPJUHHUSA-N 2 2 234.347 0.804 20 0 BCADLP Cn1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)n1 ZINC000931440907 640207219 /nfs/dbraw/zinc/20/72/19/640207219.db2.gz ZXUHMFSRZBJQCD-NEPJUHHUSA-N 2 2 234.347 0.804 20 0 BCADLP Cn1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)n1 ZINC000931440907 640207223 /nfs/dbraw/zinc/20/72/23/640207223.db2.gz ZXUHMFSRZBJQCD-NEPJUHHUSA-N 2 2 234.347 0.804 20 0 BCADLP O=C(Cn1cc[nH+]c1)N1CCC([NH+]2CCC2)CC1 ZINC000912871979 640228937 /nfs/dbraw/zinc/22/89/37/640228937.db2.gz JNXHJWAVFRJQHC-UHFFFAOYSA-N 2 2 248.330 0.580 20 0 BCADLP COC[C@H](O)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931512064 640241905 /nfs/dbraw/zinc/24/19/05/640241905.db2.gz TYTSKJWUUIECOU-SECBINFHSA-N 2 2 237.303 0.029 20 0 BCADLP CCNC(=O)CC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931511718 640242175 /nfs/dbraw/zinc/24/21/75/640242175.db2.gz PLIHZJGZNLUXJO-UHFFFAOYSA-N 2 2 248.330 0.548 20 0 BCADLP COC[C@@H](O)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931512065 640243932 /nfs/dbraw/zinc/24/39/32/640243932.db2.gz TYTSKJWUUIECOU-VIFPVBQESA-N 2 2 237.303 0.029 20 0 BCADLP C[C@H](O)CC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517537 640245075 /nfs/dbraw/zinc/24/50/75/640245075.db2.gz AQKAHFMIPXUMFG-VIFPVBQESA-N 2 2 221.304 0.793 20 0 BCADLP C[C@H](O)CC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517537 640245078 /nfs/dbraw/zinc/24/50/78/640245078.db2.gz AQKAHFMIPXUMFG-VIFPVBQESA-N 2 2 221.304 0.793 20 0 BCADLP C[C@H](O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515242 640245827 /nfs/dbraw/zinc/24/58/27/640245827.db2.gz BSTAIIFMYIDKKS-QMMMGPOBSA-N 2 2 207.277 0.403 20 0 BCADLP C[C@H](O)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515242 640245831 /nfs/dbraw/zinc/24/58/31/640245831.db2.gz BSTAIIFMYIDKKS-QMMMGPOBSA-N 2 2 207.277 0.403 20 0 BCADLP CC[C@H](CO)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931516898 640247731 /nfs/dbraw/zinc/24/77/31/640247731.db2.gz QWHFBKLTGNWFAJ-SECBINFHSA-N 2 2 221.304 0.793 20 0 BCADLP CC[C@H](CO)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931516898 640247735 /nfs/dbraw/zinc/24/77/35/640247735.db2.gz QWHFBKLTGNWFAJ-SECBINFHSA-N 2 2 221.304 0.793 20 0 BCADLP CNC(=O)CCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931520030 640249921 /nfs/dbraw/zinc/24/99/21/640249921.db2.gz XGTBXFLYBICKAN-UHFFFAOYSA-N 2 2 248.330 0.548 20 0 BCADLP CNC(=O)CCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931520030 640249926 /nfs/dbraw/zinc/24/99/26/640249926.db2.gz XGTBXFLYBICKAN-UHFFFAOYSA-N 2 2 248.330 0.548 20 0 BCADLP Nc1cc[nH+]c2c1C[N@H+](CCC1OCCO1)CC2 ZINC000931518931 640250071 /nfs/dbraw/zinc/25/00/71/640250071.db2.gz OQUUFGTUCOXJSI-UHFFFAOYSA-N 2 2 249.314 0.785 20 0 BCADLP Nc1cc[nH+]c2c1C[N@@H+](CCC1OCCO1)CC2 ZINC000931518931 640250074 /nfs/dbraw/zinc/25/00/74/640250074.db2.gz OQUUFGTUCOXJSI-UHFFFAOYSA-N 2 2 249.314 0.785 20 0 BCADLP CC(=O)NCCC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000931721428 640337850 /nfs/dbraw/zinc/33/78/50/640337850.db2.gz OWQFCKDASOBYDY-QWHCGFSZSA-N 2 2 239.363 0.681 20 0 BCADLP CC(=O)NCCC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000931721428 640337859 /nfs/dbraw/zinc/33/78/59/640337859.db2.gz OWQFCKDASOBYDY-QWHCGFSZSA-N 2 2 239.363 0.681 20 0 BCADLP CC(=O)NCCC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000931721428 640337862 /nfs/dbraw/zinc/33/78/62/640337862.db2.gz OWQFCKDASOBYDY-QWHCGFSZSA-N 2 2 239.363 0.681 20 0 BCADLP CC(=O)NCCC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000931721428 640337867 /nfs/dbraw/zinc/33/78/67/640337867.db2.gz OWQFCKDASOBYDY-QWHCGFSZSA-N 2 2 239.363 0.681 20 0 BCADLP CCOC(=O)[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000044518069 640398635 /nfs/dbraw/zinc/39/86/35/640398635.db2.gz OXHCDQSCPHNRHQ-JTQLQIEISA-N 2 2 228.336 0.869 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc[nH]1 ZINC000054764952 640406400 /nfs/dbraw/zinc/40/64/00/640406400.db2.gz NYBZOVKTDYVMJL-SECBINFHSA-N 2 2 205.265 0.785 20 0 BCADLP CC(C)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000166083323 640614110 /nfs/dbraw/zinc/61/41/10/640614110.db2.gz CNRNPTHIFDFQBD-MNOVXSKESA-N 2 2 200.326 0.999 20 0 BCADLP C[NH2+][C@@H]1CC[N@H+](CCCCCCO)C1 ZINC000226414267 640761726 /nfs/dbraw/zinc/76/17/26/640761726.db2.gz XYWONPIZKPWWDH-LLVKDONJSA-N 2 2 200.326 0.833 20 0 BCADLP C[NH2+][C@@H]1CC[N@@H+](CCCCCCO)C1 ZINC000226414267 640761731 /nfs/dbraw/zinc/76/17/31/640761731.db2.gz XYWONPIZKPWWDH-LLVKDONJSA-N 2 2 200.326 0.833 20 0 BCADLP CC(C)CNC(=[NH2+])NCC[NH+]1CCSCC1 ZINC000226757656 640792329 /nfs/dbraw/zinc/79/23/29/640792329.db2.gz BLBFMIKFJGTOKB-UHFFFAOYSA-N 2 2 244.408 0.805 20 0 BCADLP O=C1CC[C@@H]2C[N@H+](C[C@H]3CCC[NH2+]3)CC[C@@H]2N1 ZINC000227650193 640844383 /nfs/dbraw/zinc/84/43/83/640844383.db2.gz CUYFTCIGONGRPQ-UTUOFQBUSA-N 2 2 237.347 0.339 20 0 BCADLP O=C1CC[C@@H]2C[N@@H+](C[C@H]3CCC[NH2+]3)CC[C@@H]2N1 ZINC000227650193 640844385 /nfs/dbraw/zinc/84/43/85/640844385.db2.gz CUYFTCIGONGRPQ-UTUOFQBUSA-N 2 2 237.347 0.339 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](CCCCCCO)CCO1 ZINC000228782633 640894909 /nfs/dbraw/zinc/89/49/09/640894909.db2.gz CYCNLZOFVDFLCO-LLVKDONJSA-N 2 2 216.325 0.199 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](CCCCCCO)CCO1 ZINC000228782633 640894912 /nfs/dbraw/zinc/89/49/12/640894912.db2.gz CYCNLZOFVDFLCO-LLVKDONJSA-N 2 2 216.325 0.199 20 0 BCADLP C[NH+]1CCC([NH2+]C2COC(C)(C)OC2)CC1 ZINC000230681197 641083077 /nfs/dbraw/zinc/08/30/77/641083077.db2.gz PDXIEUUYARFBGY-UHFFFAOYSA-N 2 2 228.336 0.822 20 0 BCADLP O=C(NCC[NH+]1CCC1)c1cc2c[nH+]ccc2[nH]1 ZINC000935045361 641324469 /nfs/dbraw/zinc/32/44/69/641324469.db2.gz IJCASXWYYBNFGL-UHFFFAOYSA-N 2 2 244.298 0.998 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000948761367 641822895 /nfs/dbraw/zinc/82/28/95/641822895.db2.gz HKXINSWSIJVATB-GFCCVEGCSA-N 2 2 239.363 0.491 20 0 BCADLP Cn1nc2c(c1C[NH2+]CCC[NH+](C)C)CCC2 ZINC000921474026 642631916 /nfs/dbraw/zinc/63/19/16/642631916.db2.gz KKHGQXYAPJYBJP-UHFFFAOYSA-N 2 2 236.363 0.950 20 0 BCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961890844 642709454 /nfs/dbraw/zinc/70/94/54/642709454.db2.gz QNXFKTBEKZCPAQ-IAZYJMLFSA-N 2 2 234.303 0.019 20 0 BCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961890844 642709465 /nfs/dbraw/zinc/70/94/65/642709465.db2.gz QNXFKTBEKZCPAQ-IAZYJMLFSA-N 2 2 234.303 0.019 20 0 BCADLP CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962142512 642717790 /nfs/dbraw/zinc/71/77/90/642717790.db2.gz PPXCLBJXJJPKND-IWIIMEHWSA-N 2 2 248.330 0.407 20 0 BCADLP CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962142512 642717795 /nfs/dbraw/zinc/71/77/95/642717795.db2.gz PPXCLBJXJJPKND-IWIIMEHWSA-N 2 2 248.330 0.407 20 0 BCADLP CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000968534957 642813195 /nfs/dbraw/zinc/81/31/95/642813195.db2.gz QVNXRCWEKAUFCU-SNVBAGLBSA-N 2 2 236.319 0.553 20 0 BCADLP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000353498420 642857864 /nfs/dbraw/zinc/85/78/64/642857864.db2.gz AFUDCVZYUKYUIJ-ONGXEEELSA-N 2 2 238.335 0.299 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCF)C1 ZINC001010383129 642862943 /nfs/dbraw/zinc/86/29/43/642862943.db2.gz RKJQDUCYKBIQFW-QWRGUYRKSA-N 2 2 243.326 0.241 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCF)C1 ZINC001010383129 642862948 /nfs/dbraw/zinc/86/29/48/642862948.db2.gz RKJQDUCYKBIQFW-QWRGUYRKSA-N 2 2 243.326 0.241 20 0 BCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001010383129 642862950 /nfs/dbraw/zinc/86/29/50/642862950.db2.gz RKJQDUCYKBIQFW-QWRGUYRKSA-N 2 2 243.326 0.241 20 0 BCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001010383129 642862957 /nfs/dbraw/zinc/86/29/57/642862957.db2.gz RKJQDUCYKBIQFW-QWRGUYRKSA-N 2 2 243.326 0.241 20 0 BCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CCF)C1 ZINC001019438391 643034349 /nfs/dbraw/zinc/03/43/49/643034349.db2.gz LIGGABMTJBGHTC-VIFPVBQESA-N 2 2 240.282 0.112 20 0 BCADLP O[C@@H](C[NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC000070883963 643076128 /nfs/dbraw/zinc/07/61/28/643076128.db2.gz ZUFKWTGNBGROND-NSHDSACASA-N 2 2 209.293 0.634 20 0 BCADLP CC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001020636997 643247956 /nfs/dbraw/zinc/24/79/56/643247956.db2.gz JULHQHPTKSWPMN-KYZUINATSA-N 2 2 222.292 0.209 20 0 BCADLP CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001021128766 643405803 /nfs/dbraw/zinc/40/58/03/643405803.db2.gz VKEICHNGXLBAKT-MGCOHNPYSA-N 2 2 222.292 0.140 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921594806 643617570 /nfs/dbraw/zinc/61/75/70/643617570.db2.gz VWPUSUKROQDLPN-LLVKDONJSA-N 2 2 221.304 0.971 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921594806 643617573 /nfs/dbraw/zinc/61/75/73/643617573.db2.gz VWPUSUKROQDLPN-LLVKDONJSA-N 2 2 221.304 0.971 20 0 BCADLP CC[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001000567375 643791369 /nfs/dbraw/zinc/79/13/69/643791369.db2.gz YDUKQUJDPCNCRB-JTQLQIEISA-N 2 2 236.319 0.553 20 0 BCADLP CCO[C@H](C[NH2+][C@H]1CO[C@@H](C)C1)C[NH+](C)C ZINC000922756928 644088360 /nfs/dbraw/zinc/08/83/60/644088360.db2.gz UZTDMPCTAGIFHA-QJPTWQEYSA-N 2 2 230.352 0.720 20 0 BCADLP CCOCC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000923279708 644310949 /nfs/dbraw/zinc/31/09/49/644310949.db2.gz BMSKIFOYGPUHLL-GHMZBOCLSA-N 2 2 216.325 0.197 20 0 BCADLP CCOCC[C@@H](O)C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000923279708 644310953 /nfs/dbraw/zinc/31/09/53/644310953.db2.gz BMSKIFOYGPUHLL-GHMZBOCLSA-N 2 2 216.325 0.197 20 0 BCADLP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000923280224 644311476 /nfs/dbraw/zinc/31/14/76/644311476.db2.gz FVKCAVTXKVPPGZ-QWRGUYRKSA-N 2 2 216.325 0.053 20 0 BCADLP CC(C)COC[C@@H](O)C[N@H+]1CC[C@H]([NH3+])C1 ZINC000923280224 644311481 /nfs/dbraw/zinc/31/14/81/644311481.db2.gz FVKCAVTXKVPPGZ-QWRGUYRKSA-N 2 2 216.325 0.053 20 0 BCADLP CCOCC[C@H](O)C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000923279710 644312065 /nfs/dbraw/zinc/31/20/65/644312065.db2.gz BMSKIFOYGPUHLL-MNOVXSKESA-N 2 2 216.325 0.197 20 0 BCADLP CCOCC[C@H](O)C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000923279710 644312068 /nfs/dbraw/zinc/31/20/68/644312068.db2.gz BMSKIFOYGPUHLL-MNOVXSKESA-N 2 2 216.325 0.197 20 0 BCADLP CC(C)COC[C@H](O)C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000923282102 644314077 /nfs/dbraw/zinc/31/40/77/644314077.db2.gz QDGKBEFERZXZGG-NWDGAFQWSA-N 2 2 230.352 0.443 20 0 BCADLP CC(C)COC[C@H](O)C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000923282102 644314082 /nfs/dbraw/zinc/31/40/82/644314082.db2.gz QDGKBEFERZXZGG-NWDGAFQWSA-N 2 2 230.352 0.443 20 0 BCADLP CCOCC[C@H](O)C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000923280465 644315010 /nfs/dbraw/zinc/31/50/10/644315010.db2.gz IVAHTPYCBHBPSC-NEPJUHHUSA-N 2 2 230.352 0.587 20 0 BCADLP CCOCC[C@H](O)C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000923280465 644315014 /nfs/dbraw/zinc/31/50/14/644315014.db2.gz IVAHTPYCBHBPSC-NEPJUHHUSA-N 2 2 230.352 0.587 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923282433 644315318 /nfs/dbraw/zinc/31/53/18/644315318.db2.gz WCHYQWWWHUARQO-NEPJUHHUSA-N 3 2 239.363 0.178 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923282433 644315320 /nfs/dbraw/zinc/31/53/20/644315320.db2.gz WCHYQWWWHUARQO-NEPJUHHUSA-N 3 2 239.363 0.178 20 0 BCADLP CC(C)OCC[C@H](O)C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000923283036 644318061 /nfs/dbraw/zinc/31/80/61/644318061.db2.gz WXWVBDGTLOBBLN-RYUDHWBXSA-N 2 2 230.352 0.586 20 0 BCADLP CC(C)OCC[C@H](O)C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000923283036 644318067 /nfs/dbraw/zinc/31/80/67/644318067.db2.gz WXWVBDGTLOBBLN-RYUDHWBXSA-N 2 2 230.352 0.586 20 0 BCADLP CC(C)COC[C@H](O)C[N@H+](C)[C@@H](C)C[NH3+] ZINC000923289457 644322731 /nfs/dbraw/zinc/32/27/31/644322731.db2.gz IWSJJLQPHMEMPT-WDEREUQCSA-N 2 2 218.341 0.299 20 0 BCADLP CC(C)COC[C@H](O)C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000923289457 644322734 /nfs/dbraw/zinc/32/27/34/644322734.db2.gz IWSJJLQPHMEMPT-WDEREUQCSA-N 2 2 218.341 0.299 20 0 BCADLP CCOCC[C@@H](O)C[N@H+](C)[C@H](C)C[NH3+] ZINC000923289264 644323272 /nfs/dbraw/zinc/32/32/72/644323272.db2.gz GLWSGFGFXXXLHS-NXEZZACHSA-N 2 2 204.314 0.053 20 0 BCADLP CCOCC[C@@H](O)C[N@@H+](C)[C@H](C)C[NH3+] ZINC000923289264 644323278 /nfs/dbraw/zinc/32/32/78/644323278.db2.gz GLWSGFGFXXXLHS-NXEZZACHSA-N 2 2 204.314 0.053 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)C[C@@H](O)COc1ccccc1 ZINC000923290897 644326798 /nfs/dbraw/zinc/32/67/98/644326798.db2.gz PBRBESUVPOHXQS-VXGBXAGGSA-N 2 2 238.331 0.705 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)C[C@@H](O)COc1ccccc1 ZINC000923290897 644326804 /nfs/dbraw/zinc/32/68/04/644326804.db2.gz PBRBESUVPOHXQS-VXGBXAGGSA-N 2 2 238.331 0.705 20 0 BCADLP CCOCCOCC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000923293571 644328541 /nfs/dbraw/zinc/32/85/41/644328541.db2.gz UMZRHHAERWBUDS-NSHDSACASA-N 2 2 216.325 0.463 20 0 BCADLP CCOCCOCC[N@H+]1CCC[C@H]1C[NH3+] ZINC000923293571 644328547 /nfs/dbraw/zinc/32/85/47/644328547.db2.gz UMZRHHAERWBUDS-NSHDSACASA-N 2 2 216.325 0.463 20 0 BCADLP CSC[C@@H](O)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000923292312 644329423 /nfs/dbraw/zinc/32/94/23/644329423.db2.gz HRHLEHHAVFWSBL-BDAKNGLRSA-N 2 2 204.339 0.133 20 0 BCADLP CSC[C@@H](O)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000923292312 644329427 /nfs/dbraw/zinc/32/94/27/644329427.db2.gz HRHLEHHAVFWSBL-BDAKNGLRSA-N 2 2 204.339 0.133 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H](O)CCOC(C)C ZINC000923294897 644333432 /nfs/dbraw/zinc/33/34/32/644333432.db2.gz QFBYDUCFRUSTQJ-OLZOCXBDSA-N 2 2 244.379 0.846 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H](O)CCOC(C)C ZINC000923294897 644333436 /nfs/dbraw/zinc/33/34/36/644333436.db2.gz QFBYDUCFRUSTQJ-OLZOCXBDSA-N 2 2 244.379 0.846 20 0 BCADLP CC[C@@H](CNC(C[NH3+])C[NH3+])CC(F)F ZINC000923358755 644367850 /nfs/dbraw/zinc/36/78/50/644367850.db2.gz HJBDFNLVAYHMJI-SSDOTTSWSA-N 2 2 209.284 0.543 20 0 BCADLP [NH3+]CC[N@H+](CCO)C[C@@H](O)CC1CCCC1 ZINC000923332985 644354431 /nfs/dbraw/zinc/35/44/31/644354431.db2.gz YTJNUBZWAMDILH-LBPRGKRZSA-N 2 2 230.352 0.181 20 0 BCADLP [NH3+]CC[N@@H+](CCO)C[C@@H](O)CC1CCCC1 ZINC000923332985 644354436 /nfs/dbraw/zinc/35/44/36/644354436.db2.gz YTJNUBZWAMDILH-LBPRGKRZSA-N 2 2 230.352 0.181 20 0 BCADLP CC[C@@H](C[NH2+]C(CN)C[NH3+])CC(F)F ZINC000923358755 644367854 /nfs/dbraw/zinc/36/78/54/644367854.db2.gz HJBDFNLVAYHMJI-SSDOTTSWSA-N 2 2 209.284 0.543 20 0 BCADLP CCc1ncc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000923348318 644361006 /nfs/dbraw/zinc/36/10/06/644361006.db2.gz CKECUZNZWPCMND-AOOOYVTPSA-N 2 2 221.304 0.888 20 0 BCADLP CCc1ncc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000923348318 644361012 /nfs/dbraw/zinc/36/10/12/644361012.db2.gz CKECUZNZWPCMND-AOOOYVTPSA-N 2 2 221.304 0.888 20 0 BCADLP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H](O)C(F)(F)F ZINC000923368816 644380752 /nfs/dbraw/zinc/38/07/52/644380752.db2.gz UBWCZGFLERTROT-NKWVEPMBSA-N 2 2 228.258 0.873 20 0 BCADLP CC(C)OCC[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000923366453 644379430 /nfs/dbraw/zinc/37/94/30/644379430.db2.gz MPUBIPWVORBDHZ-WOPDTQHZSA-N 2 2 230.352 0.441 20 0 BCADLP CC(C)OCC[C@H](O)C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000923366453 644379433 /nfs/dbraw/zinc/37/94/33/644379433.db2.gz MPUBIPWVORBDHZ-WOPDTQHZSA-N 2 2 230.352 0.441 20 0 BCADLP CSC[C@H](O)C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923379770 644392443 /nfs/dbraw/zinc/39/24/43/644392443.db2.gz LYFHHUZMJJPNPF-MNOVXSKESA-N 2 2 230.377 0.538 20 0 BCADLP CSC[C@H](O)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923379770 644392450 /nfs/dbraw/zinc/39/24/50/644392450.db2.gz LYFHHUZMJJPNPF-MNOVXSKESA-N 2 2 230.377 0.538 20 0 BCADLP CCOCCOCC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000923391222 644395622 /nfs/dbraw/zinc/39/56/22/644395622.db2.gz MRLJFOLUPKVUFY-UHFFFAOYSA-N 2 2 228.336 0.463 20 0 BCADLP CCOCCOCC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000923391222 644395627 /nfs/dbraw/zinc/39/56/27/644395627.db2.gz MRLJFOLUPKVUFY-UHFFFAOYSA-N 2 2 228.336 0.463 20 0 BCADLP CC(C)OC[C@@H](O)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000923390700 644396645 /nfs/dbraw/zinc/39/66/45/644396645.db2.gz KKSCOQFBBHAUAX-CXQJBGSLSA-N 2 2 228.336 0.195 20 0 BCADLP CC(C)OC[C@@H](O)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000923390700 644396649 /nfs/dbraw/zinc/39/66/49/644396649.db2.gz KKSCOQFBBHAUAX-CXQJBGSLSA-N 2 2 228.336 0.195 20 0 BCADLP CSC[C@H](O)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000923392531 644398114 /nfs/dbraw/zinc/39/81/14/644398114.db2.gz YAUHEQCDAUZMFN-HWOCKDDLSA-N 2 2 216.350 0.133 20 0 BCADLP CSC[C@H](O)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000923392531 644398117 /nfs/dbraw/zinc/39/81/17/644398117.db2.gz YAUHEQCDAUZMFN-HWOCKDDLSA-N 2 2 216.350 0.133 20 0 BCADLP CCOCCOCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923399092 644404513 /nfs/dbraw/zinc/40/45/13/644404513.db2.gz NYCUUDZYTSUCQC-GFCCVEGCSA-N 2 2 242.363 0.914 20 0 BCADLP CCOCCOCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000923398321 644404825 /nfs/dbraw/zinc/40/48/25/644404825.db2.gz KQEJMVDAMGYULU-QWHCGFSZSA-N 2 2 242.363 0.853 20 0 BCADLP CCOCCOCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000923398321 644404827 /nfs/dbraw/zinc/40/48/27/644404827.db2.gz KQEJMVDAMGYULU-QWHCGFSZSA-N 2 2 242.363 0.853 20 0 BCADLP CCOC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923398370 644404986 /nfs/dbraw/zinc/40/49/86/644404986.db2.gz IWODAHLHZASLFU-GHMZBOCLSA-N 2 2 228.336 0.258 20 0 BCADLP CCOC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923398373 644405465 /nfs/dbraw/zinc/40/54/65/644405465.db2.gz IWODAHLHZASLFU-WDEREUQCSA-N 2 2 228.336 0.258 20 0 BCADLP CCOCC[C@H](O)C[N@H+](CC)CC[NH3+] ZINC000923400759 644406785 /nfs/dbraw/zinc/40/67/85/644406785.db2.gz DRWDUYYPUUUVRP-JTQLQIEISA-N 2 2 204.314 0.055 20 0 BCADLP CCOCC[C@H](O)C[N@@H+](CC)CC[NH3+] ZINC000923400759 644406791 /nfs/dbraw/zinc/40/67/91/644406791.db2.gz DRWDUYYPUUUVRP-JTQLQIEISA-N 2 2 204.314 0.055 20 0 BCADLP CCOCC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000923412911 644414975 /nfs/dbraw/zinc/41/49/75/644414975.db2.gz KVQVTTNQJGJOJH-MXWKQRLJSA-N 2 2 216.325 0.195 20 0 BCADLP CCOCC[C@H](O)C[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000923412911 644414985 /nfs/dbraw/zinc/41/49/85/644414985.db2.gz KVQVTTNQJGJOJH-MXWKQRLJSA-N 2 2 216.325 0.195 20 0 BCADLP CC(C)COC[C@@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC000923408145 644412253 /nfs/dbraw/zinc/41/22/53/644412253.db2.gz AHAJUJSTJHLMKT-QWRGUYRKSA-N 2 2 218.341 0.299 20 0 BCADLP CC(C)COC[C@@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC000923408145 644412255 /nfs/dbraw/zinc/41/22/55/644412255.db2.gz AHAJUJSTJHLMKT-QWRGUYRKSA-N 2 2 218.341 0.299 20 0 BCADLP CCOCC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000923412689 644414660 /nfs/dbraw/zinc/41/46/60/644414660.db2.gz KVQVTTNQJGJOJH-AXFHLTTASA-N 2 2 216.325 0.195 20 0 BCADLP CCOCC[C@H](O)C[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000923412689 644414666 /nfs/dbraw/zinc/41/46/66/644414666.db2.gz KVQVTTNQJGJOJH-AXFHLTTASA-N 2 2 216.325 0.195 20 0 BCADLP CCOCC[C@H](O)C[N@H+](CC)[C@H]1CC[NH2+]C1 ZINC000923426592 644421781 /nfs/dbraw/zinc/42/17/81/644421781.db2.gz TYBOYYWIUDUHBH-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP CCOCC[C@H](O)C[N@@H+](CC)[C@H]1CC[NH2+]C1 ZINC000923426592 644421782 /nfs/dbraw/zinc/42/17/82/644421782.db2.gz TYBOYYWIUDUHBH-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP C[NH2+]CC[N@H+](C[C@@H](O)COCC(C)C)C(C)C ZINC000923432546 644426518 /nfs/dbraw/zinc/42/65/18/644426518.db2.gz FKCKKUSXQIQWPV-CYBMUJFWSA-N 2 2 246.395 0.950 20 0 BCADLP C[NH2+]CC[N@@H+](C[C@@H](O)COCC(C)C)C(C)C ZINC000923432546 644426522 /nfs/dbraw/zinc/42/65/22/644426522.db2.gz FKCKKUSXQIQWPV-CYBMUJFWSA-N 2 2 246.395 0.950 20 0 BCADLP FC1(F)CC[C@@H](CN2CC[NH2+]CC[NH2+]CC2)C1 ZINC000923459803 644438434 /nfs/dbraw/zinc/43/84/34/644438434.db2.gz HARUZRNJIZSFQU-LLVKDONJSA-N 2 2 247.333 0.917 20 0 BCADLP FC1(F)CC[C@@H](C[N@@H+]2CCNCC[NH2+]CC2)C1 ZINC000923459803 644438437 /nfs/dbraw/zinc/43/84/37/644438437.db2.gz HARUZRNJIZSFQU-LLVKDONJSA-N 2 2 247.333 0.917 20 0 BCADLP FC1(F)CC[C@@H](C[N@H+]2CCNCC[NH2+]CC2)C1 ZINC000923459803 644438441 /nfs/dbraw/zinc/43/84/41/644438441.db2.gz HARUZRNJIZSFQU-LLVKDONJSA-N 2 2 247.333 0.917 20 0 BCADLP FCCCCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923459195 644440521 /nfs/dbraw/zinc/44/05/21/644440521.db2.gz DANFTQYXTOKOHJ-UHFFFAOYSA-N 2 2 217.332 0.621 20 0 BCADLP FCCCCC[N@@H+]1CCNCC[NH2+]CC1 ZINC000923459195 644440524 /nfs/dbraw/zinc/44/05/24/644440524.db2.gz DANFTQYXTOKOHJ-UHFFFAOYSA-N 2 2 217.332 0.621 20 0 BCADLP FCCCCC[N@H+]1CCNCC[NH2+]CC1 ZINC000923459195 644440528 /nfs/dbraw/zinc/44/05/28/644440528.db2.gz DANFTQYXTOKOHJ-UHFFFAOYSA-N 2 2 217.332 0.621 20 0 BCADLP C(CC1CC1)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459984 644442382 /nfs/dbraw/zinc/44/23/82/644442382.db2.gz IYQPIEXMPWEURK-UHFFFAOYSA-N 2 2 211.353 0.671 20 0 BCADLP CO[C@@H](C[N@@H+]1CCC[C@]([NH3+])(CO)C1)C1CCC1 ZINC000923475584 644453148 /nfs/dbraw/zinc/45/31/48/644453148.db2.gz YJAWUWVYUUPVBP-QWHCGFSZSA-N 2 2 242.363 0.587 20 0 BCADLP CO[C@@H](C[N@H+]1CCC[C@]([NH3+])(CO)C1)C1CCC1 ZINC000923475584 644453152 /nfs/dbraw/zinc/45/31/52/644453152.db2.gz YJAWUWVYUUPVBP-QWHCGFSZSA-N 2 2 242.363 0.587 20 0 BCADLP Cc1nnc([C@@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)[nH]1 ZINC000923515914 644479302 /nfs/dbraw/zinc/47/93/02/644479302.db2.gz MUIGGLHTAUXQTE-NQMVMOMDSA-N 2 2 223.324 0.701 20 0 BCADLP Cc1nnc([C@@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)[nH]1 ZINC000923515914 644479305 /nfs/dbraw/zinc/47/93/05/644479305.db2.gz MUIGGLHTAUXQTE-NQMVMOMDSA-N 2 2 223.324 0.701 20 0 BCADLP CCOC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923529549 644485310 /nfs/dbraw/zinc/48/53/10/644485310.db2.gz AASDQJRYJVUXDT-CHWSQXEVSA-N 2 2 242.363 0.602 20 0 BCADLP CCOC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923529549 644485312 /nfs/dbraw/zinc/48/53/12/644485312.db2.gz AASDQJRYJVUXDT-CHWSQXEVSA-N 2 2 242.363 0.602 20 0 BCADLP COc1c(C)c[nH+]c(CNC(=O)[C@@H]2C[C@@H]2[NH3+])c1C ZINC000827970349 645089456 /nfs/dbraw/zinc/08/94/56/645089456.db2.gz FDQIAIMEZCODIP-ZJUUUORDSA-N 2 2 249.314 0.670 20 0 BCADLP C[C@@H]([NH3+])C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000844187095 645317078 /nfs/dbraw/zinc/31/70/78/645317078.db2.gz AQVWDFUBFOCQJE-MRVPVSSYSA-N 2 2 249.305 0.522 20 0 BCADLP C[C@@H]([NH3+])C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000844187095 645317086 /nfs/dbraw/zinc/31/70/86/645317086.db2.gz AQVWDFUBFOCQJE-MRVPVSSYSA-N 2 2 249.305 0.522 20 0 BCADLP C[C@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1C ZINC000928443014 645768150 /nfs/dbraw/zinc/76/81/50/645768150.db2.gz SBWTXWWABMMOTM-ONGXEEELSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1C ZINC000928443014 645768157 /nfs/dbraw/zinc/76/81/57/645768157.db2.gz SBWTXWWABMMOTM-ONGXEEELSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000928443014 645768164 /nfs/dbraw/zinc/76/81/64/645768164.db2.gz SBWTXWWABMMOTM-ONGXEEELSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000928443014 645768168 /nfs/dbraw/zinc/76/81/68/645768168.db2.gz SBWTXWWABMMOTM-ONGXEEELSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@H](C[NH2+][C@@H](C)C(C)(C)CO)[NH+](C)C ZINC000924953721 646138995 /nfs/dbraw/zinc/13/89/95/646138995.db2.gz BFNCXJQBYOTVGH-ZJUUUORDSA-N 2 2 202.342 0.933 20 0 BCADLP C[C@H](C[NH2+][C@H](C)C(C)(C)CO)[NH+](C)C ZINC000924953718 646139920 /nfs/dbraw/zinc/13/99/20/646139920.db2.gz BFNCXJQBYOTVGH-NXEZZACHSA-N 2 2 202.342 0.933 20 0 BCADLP CCCNC(=O)CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925494560 646302316 /nfs/dbraw/zinc/30/23/16/646302316.db2.gz KHCJQQLSDHJHLQ-JTQLQIEISA-N 2 2 227.352 0.633 20 0 BCADLP Cn1cc([C@@H](O)C[NH2+][C@H]2CC[NH2+]C2(C)C)cn1 ZINC000925517320 646313104 /nfs/dbraw/zinc/31/31/04/646313104.db2.gz NNGLRQNJNVZISP-QWRGUYRKSA-N 2 2 238.335 0.184 20 0 BCADLP C(C[NH2+][C@H]1C[NH2+]CCOC1)COC1CCCC1 ZINC000925531493 646319594 /nfs/dbraw/zinc/31/95/94/646319594.db2.gz KWIVGRFQABHLJC-LBPRGKRZSA-N 2 2 242.363 0.914 20 0 BCADLP C[C@H](C[C@H]1CCOC1)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925554033 646331310 /nfs/dbraw/zinc/33/13/10/646331310.db2.gz UUFRJZZTSOVYAN-UTUOFQBUSA-N 2 2 228.336 0.380 20 0 BCADLP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925554031 646331604 /nfs/dbraw/zinc/33/16/04/646331604.db2.gz UUFRJZZTSOVYAN-GRYCIOLGSA-N 2 2 228.336 0.380 20 0 BCADLP C[C@]1(C[NH2+][C@H]2C[NH2+]CCOC2)CCCS1 ZINC000925553800 646332188 /nfs/dbraw/zinc/33/21/88/646332188.db2.gz VXUBXFCWAZKSRX-WDEREUQCSA-N 2 2 230.377 0.850 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000925575369 646341661 /nfs/dbraw/zinc/34/16/61/646341661.db2.gz GDHNGXZPCWQFFB-UMNHJUIQSA-N 2 2 237.347 0.480 20 0 BCADLP C[C@H]([NH3+])[C@@H]([NH2+]CCn1cncn1)c1ccccc1 ZINC000925588851 646349312 /nfs/dbraw/zinc/34/93/12/646349312.db2.gz AMPRVFWHEHQIFK-WCQYABFASA-N 2 2 245.330 0.956 20 0 BCADLP C1COCC[C@H]([NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925636444 646372675 /nfs/dbraw/zinc/37/26/75/646372675.db2.gz SMASLAVHAIMXDM-MNOVXSKESA-N 2 2 214.309 0.134 20 0 BCADLP C[NH+]1CCC(C)(C[NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925631823 646375597 /nfs/dbraw/zinc/37/55/97/646375597.db2.gz LFUFFJVXMWCJHI-LBPRGKRZSA-N 3 2 241.379 0.296 20 0 BCADLP C[C@@H]1CC([NH2+][C@H]2C[NH2+]CCOC2)C[C@@H](C)O1 ZINC000925632714 646376137 /nfs/dbraw/zinc/37/61/37/646376137.db2.gz XWWDQPBHXDHFTK-FOGDFJRCSA-N 2 2 228.336 0.520 20 0 BCADLP COC[C@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)OC ZINC000925633414 646378629 /nfs/dbraw/zinc/37/86/29/646378629.db2.gz VZGIJTGJCIPNAY-VHSXEESVSA-N 2 2 216.325 0.378 20 0 BCADLP Cc1[nH]c(C[NH2+]C2(C(N)=O)CCCC2)c(C)[nH+]1 ZINC000929999678 646390260 /nfs/dbraw/zinc/39/02/60/646390260.db2.gz FQNTUBJCXXTZCR-UHFFFAOYSA-N 2 2 236.319 0.914 20 0 BCADLP CCSCCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925662868 646394742 /nfs/dbraw/zinc/39/47/42/646394742.db2.gz NYZQYIDNNVOHDL-SNVBAGLBSA-N 2 2 218.366 0.708 20 0 BCADLP FC1(F)CC[C@H](C[NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925657917 646395345 /nfs/dbraw/zinc/39/53/45/646395345.db2.gz VHLTYDDSINKGQR-UWVGGRQHSA-N 2 2 234.290 1.000 20 0 BCADLP COCC(C)(C)C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925673086 646403058 /nfs/dbraw/zinc/40/30/58/646403058.db2.gz MHGUIHOZZQGPST-SNVBAGLBSA-N 2 2 216.325 0.237 20 0 BCADLP COCC1(CC[NH2+][C@@H]2C[NH2+]CCOC2)CCC1 ZINC000925675398 646405273 /nfs/dbraw/zinc/40/52/73/646405273.db2.gz FJRIBMCQIBMQBY-GFCCVEGCSA-N 2 2 242.363 0.771 20 0 BCADLP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C12CCC2 ZINC000925690688 646417018 /nfs/dbraw/zinc/41/70/18/646417018.db2.gz GUCQEHMAMKGBML-QJPTWQEYSA-N 3 2 223.364 0.846 20 0 BCADLP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C12CCC2 ZINC000925690685 646417240 /nfs/dbraw/zinc/41/72/40/646417240.db2.gz GUCQEHMAMKGBML-IJLUTSLNSA-N 3 2 223.364 0.846 20 0 BCADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925701052 646424656 /nfs/dbraw/zinc/42/46/56/646424656.db2.gz UYWSVYDINSFCLE-RHYQMDGZSA-N 3 2 223.364 0.844 20 0 BCADLP CC[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CCOC2)CCO1 ZINC000925704542 646428893 /nfs/dbraw/zinc/42/88/93/646428893.db2.gz HOUQTZKYJNGDKM-IJLUTSLNSA-N 2 2 228.336 0.522 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000925711809 646437578 /nfs/dbraw/zinc/43/75/78/646437578.db2.gz RZRCHZLEAOFVSQ-DCAQKATOSA-N 3 2 247.333 0.961 20 0 BCADLP CN1CCOC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925717986 646442654 /nfs/dbraw/zinc/44/26/54/646442654.db2.gz MIGXPGJMQGYGFL-WDEREUQCSA-N 2 2 227.352 0.047 20 0 BCADLP C[NH2+]CCOCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925721323 646446035 /nfs/dbraw/zinc/44/60/35/646446035.db2.gz ZBZLDGUCEZRRJE-NSHDSACASA-N 3 2 227.352 0.097 20 0 BCADLP CN(CC[NH2+][C@@H]1CC[NH2+]C1(C)C)CC(F)F ZINC000925726161 646451523 /nfs/dbraw/zinc/45/15/23/646451523.db2.gz ZVQDLSDIOXSOTK-SECBINFHSA-N 2 2 235.322 0.913 20 0 BCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC(C)(C)[NH3+] ZINC000925737939 646453708 /nfs/dbraw/zinc/45/37/08/646453708.db2.gz RCPJLOBHOZDMQS-WDEREUQCSA-N 3 2 229.368 0.470 20 0 BCADLP CC(C)([NH3+])CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000925736956 646460031 /nfs/dbraw/zinc/46/00/31/646460031.db2.gz LSLFNMDJBFKZTB-RYUDHWBXSA-N 3 2 241.379 0.470 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC(C)(C)[NH3+] ZINC000925737936 646460291 /nfs/dbraw/zinc/46/02/91/646460291.db2.gz RCPJLOBHOZDMQS-GHMZBOCLSA-N 3 2 229.368 0.470 20 0 BCADLP C[C@@H]([NH2+]CCN1CCNC1=O)[C@@H]1CCCC[NH2+]1 ZINC000925777931 646476200 /nfs/dbraw/zinc/47/62/00/646476200.db2.gz RKGFQCUICZWBKP-MNOVXSKESA-N 2 2 240.351 0.132 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816870 646491892 /nfs/dbraw/zinc/49/18/92/646491892.db2.gz KKTKGEPXFCFNQF-AAEUAGOBSA-N 3 2 240.395 0.140 20 0 BCADLP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1cn(C)nn1 ZINC000925828158 646499050 /nfs/dbraw/zinc/49/90/50/646499050.db2.gz VGHXLRYTQUDTET-XHNCKOQMSA-N 2 2 211.313 0.592 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925834588 646502364 /nfs/dbraw/zinc/50/23/64/646502364.db2.gz ZBWYXMFRWFQGNV-LBELIVKGSA-N 2 2 240.347 0.378 20 0 BCADLP Cc1cc(CC[NH2+][C@@H]2CC[NH2+]C2)nn1C ZINC000925833887 646502743 /nfs/dbraw/zinc/50/27/43/646502743.db2.gz LKDWHLORIPLPNC-LLVKDONJSA-N 2 2 208.309 0.223 20 0 BCADLP CCO[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])C[NH+](C)C ZINC000925838111 646505430 /nfs/dbraw/zinc/50/54/30/646505430.db2.gz JXJNTXNGEDBMQT-GRYCIOLGSA-N 3 2 231.384 0.669 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[NH2+]CCOC2)CCS1 ZINC000925860703 646515387 /nfs/dbraw/zinc/51/53/87/646515387.db2.gz JTHGOIZYHGCRDH-VWYCJHECSA-N 2 2 230.377 0.849 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CNOC2)[C@H](C)C1 ZINC000925869771 646520661 /nfs/dbraw/zinc/52/06/61/646520661.db2.gz JQZRJOIXJHUEAG-VWYCJHECSA-N 2 2 213.325 0.210 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CNOC2)[C@H](C)C1 ZINC000925869771 646520662 /nfs/dbraw/zinc/52/06/62/646520662.db2.gz JQZRJOIXJHUEAG-VWYCJHECSA-N 2 2 213.325 0.210 20 0 BCADLP Cn1cc(C[NH2+]C2[C@@H]3CC[C@H]2C[N@@H+](C)C3)nn1 ZINC000926127041 646579840 /nfs/dbraw/zinc/57/98/40/646579840.db2.gz OEFLOEUHRQTLGW-DHHPTOIESA-N 2 2 235.335 0.245 20 0 BCADLP Cn1cc(C[NH2+]C2[C@@H]3CC[C@H]2C[N@H+](C)C3)nn1 ZINC000926127041 646579843 /nfs/dbraw/zinc/57/98/43/646579843.db2.gz OEFLOEUHRQTLGW-DHHPTOIESA-N 2 2 235.335 0.245 20 0 BCADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cnn(C)n1 ZINC000926231246 646600127 /nfs/dbraw/zinc/60/01/27/646600127.db2.gz YMCZWPVROWAQQI-ZJUUUORDSA-N 2 2 246.318 0.677 20 0 BCADLP COC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926370535 646627804 /nfs/dbraw/zinc/62/78/04/646627804.db2.gz FMIVOLKIJUSXAN-JHJVBQTASA-N 2 2 242.363 0.600 20 0 BCADLP COC[C@H](O)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926370535 646627807 /nfs/dbraw/zinc/62/78/07/646627807.db2.gz FMIVOLKIJUSXAN-JHJVBQTASA-N 2 2 242.363 0.600 20 0 BCADLP CO[C@@H]1CC[C@@H]1[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000724187471 711567908 /nfs/dbraw/zinc/56/79/08/711567908.db2.gz JWSUGWULHWSWMG-FRRDWIJNSA-N 2 2 242.363 0.551 20 0 BCADLP CO[C@@H]1CC[C@@H]1[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000724187471 711567912 /nfs/dbraw/zinc/56/79/12/711567912.db2.gz JWSUGWULHWSWMG-FRRDWIJNSA-N 2 2 242.363 0.551 20 0 BCADLP CO[C@@H]1CC[C@@H]1[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000724187471 711567915 /nfs/dbraw/zinc/56/79/15/711567915.db2.gz JWSUGWULHWSWMG-FRRDWIJNSA-N 2 2 242.363 0.551 20 0 BCADLP CO[C@@H]1CC[C@@H]1[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000724187471 711567917 /nfs/dbraw/zinc/56/79/17/711567917.db2.gz JWSUGWULHWSWMG-FRRDWIJNSA-N 2 2 242.363 0.551 20 0 BCADLP CC[N@H+](CC[NH3+])C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724556556 711589792 /nfs/dbraw/zinc/58/97/92/711589792.db2.gz HHIAJHWNEBBUHZ-VWYCJHECSA-N 2 2 214.309 0.071 20 0 BCADLP CC[N@@H+](CC[NH3+])C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724556556 711589795 /nfs/dbraw/zinc/58/97/95/711589795.db2.gz HHIAJHWNEBBUHZ-VWYCJHECSA-N 2 2 214.309 0.071 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724612436 711598439 /nfs/dbraw/zinc/59/84/39/711598439.db2.gz JZOFJQQPYLLJPN-WTPMCQDGSA-N 2 2 226.320 0.212 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724612436 711598441 /nfs/dbraw/zinc/59/84/41/711598441.db2.gz JZOFJQQPYLLJPN-WTPMCQDGSA-N 2 2 226.320 0.212 20 0 BCADLP CO[C@@H]1CCOC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000724887709 711625597 /nfs/dbraw/zinc/62/55/97/711625597.db2.gz TUUBXAJXDSFACO-GHMZBOCLSA-N 2 2 225.292 0.277 20 0 BCADLP C[N@H+](CCO[C@H]1CCOC1)C1(C[NH3+])CCC1 ZINC000724935037 711744103 /nfs/dbraw/zinc/74/41/03/711744103.db2.gz FZDQALNKEUHFMS-NSHDSACASA-N 2 2 228.336 0.605 20 0 BCADLP C[N@@H+](CCO[C@H]1CCOC1)C1(C[NH3+])CCC1 ZINC000724935037 711744105 /nfs/dbraw/zinc/74/41/05/711744105.db2.gz FZDQALNKEUHFMS-NSHDSACASA-N 2 2 228.336 0.605 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1COCCN1C ZINC000700176851 711871204 /nfs/dbraw/zinc/87/12/04/711871204.db2.gz OMRDJFDCQBAIFA-SRVKXCTJSA-N 2 2 227.352 0.047 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000700572872 711997206 /nfs/dbraw/zinc/99/72/06/711997206.db2.gz NOTSVOFLJCWOJZ-WOPDTQHZSA-N 2 2 230.327 0.902 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000700572872 711997207 /nfs/dbraw/zinc/99/72/07/711997207.db2.gz NOTSVOFLJCWOJZ-WOPDTQHZSA-N 2 2 230.327 0.902 20 0 BCADLP CN(C)c1nc(NC[C@@H]2CC[N@H+]2C)cc[nH+]1 ZINC000712596032 712436397 /nfs/dbraw/zinc/43/63/97/712436397.db2.gz SBZZNLJRRVBGIW-VIFPVBQESA-N 2 2 221.308 0.659 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CCCF ZINC000716746982 712572033 /nfs/dbraw/zinc/57/20/33/712572033.db2.gz HMOCLAKDSNOJSR-LLVKDONJSA-N 2 2 236.331 0.217 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CCCF ZINC000716746982 712572035 /nfs/dbraw/zinc/57/20/35/712572035.db2.gz HMOCLAKDSNOJSR-LLVKDONJSA-N 2 2 236.331 0.217 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CCCF ZINC000716746982 712572036 /nfs/dbraw/zinc/57/20/36/712572036.db2.gz HMOCLAKDSNOJSR-LLVKDONJSA-N 2 2 236.331 0.217 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CCCF ZINC000716746982 712572037 /nfs/dbraw/zinc/57/20/37/712572037.db2.gz HMOCLAKDSNOJSR-LLVKDONJSA-N 2 2 236.331 0.217 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+](C)CCCF)C1CC1 ZINC000716748562 712572097 /nfs/dbraw/zinc/57/20/97/712572097.db2.gz QRNRTZJZQZTMPK-NSHDSACASA-N 2 2 218.316 0.733 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+](C)CCCF)C1CC1 ZINC000716748562 712572099 /nfs/dbraw/zinc/57/20/99/712572099.db2.gz QRNRTZJZQZTMPK-NSHDSACASA-N 2 2 218.316 0.733 20 0 BCADLP C[NH+](CCCF)C[C@H](O)C[N@H+](C)C1CC1 ZINC000716748562 712572101 /nfs/dbraw/zinc/57/21/01/712572101.db2.gz QRNRTZJZQZTMPK-NSHDSACASA-N 2 2 218.316 0.733 20 0 BCADLP C[NH+](CCCF)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000716748562 712572103 /nfs/dbraw/zinc/57/21/03/712572103.db2.gz QRNRTZJZQZTMPK-NSHDSACASA-N 2 2 218.316 0.733 20 0 BCADLP COC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000720479093 712845840 /nfs/dbraw/zinc/84/58/40/712845840.db2.gz HFRVLBNTPYCYHT-UTUOFQBUSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000720479093 712845843 /nfs/dbraw/zinc/84/58/43/712845843.db2.gz HFRVLBNTPYCYHT-UTUOFQBUSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@H](O)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720479093 712845845 /nfs/dbraw/zinc/84/58/45/712845845.db2.gz HFRVLBNTPYCYHT-UTUOFQBUSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@H](O)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720479093 712845847 /nfs/dbraw/zinc/84/58/47/712845847.db2.gz HFRVLBNTPYCYHT-UTUOFQBUSA-N 2 2 228.336 0.162 20 0 BCADLP CCN(CC)C(=O)C[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721048446 712888336 /nfs/dbraw/zinc/88/83/36/712888336.db2.gz PGTQVKUZWNHQPT-NEPJUHHUSA-N 2 2 241.379 0.642 20 0 BCADLP CCN(CC)C(=O)C[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721048446 712888337 /nfs/dbraw/zinc/88/83/37/712888337.db2.gz PGTQVKUZWNHQPT-NEPJUHHUSA-N 2 2 241.379 0.642 20 0 BCADLP CO[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000381275686 710616094 /nfs/dbraw/zinc/61/60/94/710616094.db2.gz WVFSDSXPVCJVJR-NWDGAFQWSA-N 2 2 230.352 0.408 20 0 BCADLP CO[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000381275686 710616096 /nfs/dbraw/zinc/61/60/96/710616096.db2.gz WVFSDSXPVCJVJR-NWDGAFQWSA-N 2 2 230.352 0.408 20 0 BCADLP CO[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000381275686 710616098 /nfs/dbraw/zinc/61/60/98/710616098.db2.gz WVFSDSXPVCJVJR-NWDGAFQWSA-N 2 2 230.352 0.408 20 0 BCADLP CO[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000381275686 710616099 /nfs/dbraw/zinc/61/60/99/710616099.db2.gz WVFSDSXPVCJVJR-NWDGAFQWSA-N 2 2 230.352 0.408 20 0 BCADLP COC(=O)/C(C)=C\C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000381328709 710622292 /nfs/dbraw/zinc/62/22/92/710622292.db2.gz SEKOCDLBJSTZCF-WBJUDYSNSA-N 2 2 224.304 0.257 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCC1(C)OCCO1 ZINC000393740414 710671697 /nfs/dbraw/zinc/67/16/97/710671697.db2.gz BIAWCBBMBCVITO-GHMZBOCLSA-N 2 2 228.336 0.679 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC1(C)OCCO1 ZINC000393740414 710671702 /nfs/dbraw/zinc/67/17/02/710671702.db2.gz BIAWCBBMBCVITO-GHMZBOCLSA-N 2 2 228.336 0.679 20 0 BCADLP Cc1[nH+]cn(C[C@@H](O)C[NH+]2CCCC2)c1C ZINC000380458281 712900844 /nfs/dbraw/zinc/90/08/44/712900844.db2.gz UBCWEVUWUULUSG-LBPRGKRZSA-N 2 2 223.320 0.957 20 0 BCADLP C[N@H+](CCC[NH3+])CC(C)(C)S(C)(=O)=O ZINC000382007582 710765673 /nfs/dbraw/zinc/76/56/73/710765673.db2.gz YLRMLPNLPXLYPV-UHFFFAOYSA-N 2 2 222.354 0.090 20 0 BCADLP C[N@@H+](CCC[NH3+])CC(C)(C)S(C)(=O)=O ZINC000382007582 710765677 /nfs/dbraw/zinc/76/56/77/710765677.db2.gz YLRMLPNLPXLYPV-UHFFFAOYSA-N 2 2 222.354 0.090 20 0 BCADLP CCC[NH+]1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001043977777 710815823 /nfs/dbraw/zinc/81/58/23/710815823.db2.gz WROARJSYBNRBEC-UHFFFAOYSA-N 2 2 236.319 0.505 20 0 BCADLP C[C@@H]([NH3+])CN(C)C(=O)CCn1cc[nH+]c1 ZINC000389607255 711082517 /nfs/dbraw/zinc/08/25/17/711082517.db2.gz ZARXWGTUXPHWMT-SECBINFHSA-N 2 2 210.281 0.079 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@H]1CCOC1 ZINC000389798860 711089401 /nfs/dbraw/zinc/08/94/01/711089401.db2.gz QVEWIQYUPQEOSG-RYUDHWBXSA-N 2 2 228.336 0.164 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@H]1CCOC1 ZINC000389798860 711089405 /nfs/dbraw/zinc/08/94/05/711089405.db2.gz QVEWIQYUPQEOSG-RYUDHWBXSA-N 2 2 228.336 0.164 20 0 BCADLP CC(=O)OC[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000390296235 711111780 /nfs/dbraw/zinc/11/17/80/711111780.db2.gz AVMWCOKICVFYFZ-SNVBAGLBSA-N 2 2 225.292 0.814 20 0 BCADLP C[NH+](C)C(C)(C)C[NH2+]C1CCN(C=O)CC1 ZINC000390413945 711114842 /nfs/dbraw/zinc/11/48/42/711114842.db2.gz GISFXZXHGBCYNY-UHFFFAOYSA-N 2 2 227.352 0.537 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cn(C)cn1 ZINC000393785013 710693043 /nfs/dbraw/zinc/69/30/43/710693043.db2.gz WVAPVYWVCRJSQO-SNVBAGLBSA-N 2 2 219.292 0.795 20 0 BCADLP C[N@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)CC(C)(C)[NH3+] ZINC000724600587 710743515 /nfs/dbraw/zinc/74/35/15/710743515.db2.gz NUCBPBRJDAATRW-VWYCJHECSA-N 2 2 228.336 0.459 20 0 BCADLP C[N@@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)CC(C)(C)[NH3+] ZINC000724600587 710743518 /nfs/dbraw/zinc/74/35/18/710743518.db2.gz NUCBPBRJDAATRW-VWYCJHECSA-N 2 2 228.336 0.459 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000396615095 711362185 /nfs/dbraw/zinc/36/21/85/711362185.db2.gz SCBMUDAEABAILO-STQMWFEESA-N 2 2 241.379 0.439 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1NCCC[NH+]1CCOCC1 ZINC000396615095 711362189 /nfs/dbraw/zinc/36/21/89/711362189.db2.gz SCBMUDAEABAILO-STQMWFEESA-N 2 2 241.379 0.439 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000396715961 711367301 /nfs/dbraw/zinc/36/73/01/711367301.db2.gz OHVPCCOUFYIUOW-DLOVCJGASA-N 2 2 212.337 0.878 20 0 BCADLP CON(C)C(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000397541864 711386482 /nfs/dbraw/zinc/38/64/82/711386482.db2.gz XIQYGJHAVJMQCA-NXEZZACHSA-N 2 2 229.324 0.079 20 0 BCADLP CON(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000397541864 711386485 /nfs/dbraw/zinc/38/64/85/711386485.db2.gz XIQYGJHAVJMQCA-NXEZZACHSA-N 2 2 229.324 0.079 20 0 BCADLP OC[C@@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000134393476 711501626 /nfs/dbraw/zinc/50/16/26/711501626.db2.gz SQRTWSFCZSWALG-ZDUSSCGKSA-N 2 2 242.363 0.290 20 0 BCADLP CCc1nc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)no1 ZINC000723701461 711534946 /nfs/dbraw/zinc/53/49/46/711534946.db2.gz FQUFJOBHHODXEJ-SECBINFHSA-N 2 2 224.308 0.803 20 0 BCADLP CCc1nc(C[N@H+]2CC[C@@H](CC[NH3+])C2)no1 ZINC000723701461 711534947 /nfs/dbraw/zinc/53/49/47/711534947.db2.gz FQUFJOBHHODXEJ-SECBINFHSA-N 2 2 224.308 0.803 20 0 BCADLP CO[C@@H]1CC[C@H]1[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000724187481 711567353 /nfs/dbraw/zinc/56/73/53/711567353.db2.gz JWSUGWULHWSWMG-YNEHKIRRSA-N 2 2 242.363 0.551 20 0 BCADLP CO[C@@H]1CC[C@H]1[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000724187481 711567355 /nfs/dbraw/zinc/56/73/55/711567355.db2.gz JWSUGWULHWSWMG-YNEHKIRRSA-N 2 2 242.363 0.551 20 0 BCADLP CO[C@@H]1CC[C@H]1[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000724187481 711567358 /nfs/dbraw/zinc/56/73/58/711567358.db2.gz JWSUGWULHWSWMG-YNEHKIRRSA-N 2 2 242.363 0.551 20 0 BCADLP CO[C@@H]1CC[C@H]1[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000724187481 711567359 /nfs/dbraw/zinc/56/73/59/711567359.db2.gz JWSUGWULHWSWMG-YNEHKIRRSA-N 2 2 242.363 0.551 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724596497 711596528 /nfs/dbraw/zinc/59/65/28/711596528.db2.gz WDYLUNHFGFJDGT-FVCCEPFGSA-N 2 2 240.347 0.604 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@H+]1C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724596497 711596531 /nfs/dbraw/zinc/59/65/31/711596531.db2.gz WDYLUNHFGFJDGT-FVCCEPFGSA-N 2 2 240.347 0.604 20 0 BCADLP CC[N@@H+](CC[NH3+])CCO[C@H]1CCOC1 ZINC000724911797 711627159 /nfs/dbraw/zinc/62/71/59/711627159.db2.gz ABMBXQGYLLCQAN-JTQLQIEISA-N 2 2 202.298 0.073 20 0 BCADLP Cc1n[nH]cc1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000724776834 711611388 /nfs/dbraw/zinc/61/13/88/711611388.db2.gz OSFLPOWASDGEON-NWDGAFQWSA-N 2 2 220.320 0.759 20 0 BCADLP Cc1n[nH]cc1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000724776834 711611390 /nfs/dbraw/zinc/61/13/90/711611390.db2.gz OSFLPOWASDGEON-NWDGAFQWSA-N 2 2 220.320 0.759 20 0 BCADLP CC[N@H+](CC[NH3+])CCO[C@H]1CCOC1 ZINC000724911797 711627157 /nfs/dbraw/zinc/62/71/57/711627157.db2.gz ABMBXQGYLLCQAN-JTQLQIEISA-N 2 2 202.298 0.073 20 0 BCADLP C[C@@H]1CCC[N@H+](CCO[C@H]2CCOC2)[C@H]1C[NH3+] ZINC000724919754 711627941 /nfs/dbraw/zinc/62/79/41/711627941.db2.gz ACRAHNZGIFQRRH-AGIUHOORSA-N 2 2 242.363 0.851 20 0 BCADLP C[C@@H]1CCC[N@@H+](CCO[C@H]2CCOC2)[C@H]1C[NH3+] ZINC000724919754 711627942 /nfs/dbraw/zinc/62/79/42/711627942.db2.gz ACRAHNZGIFQRRH-AGIUHOORSA-N 2 2 242.363 0.851 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000925875591 711761559 /nfs/dbraw/zinc/76/15/59/711761559.db2.gz VCPSDINWZZFJAJ-SDDRHHMPSA-N 2 2 228.336 0.522 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC2CC2)C1 ZINC001030155939 711827111 /nfs/dbraw/zinc/82/71/11/711827111.db2.gz RRIUEOAPKVPEHU-LBPRGKRZSA-N 2 2 237.347 0.291 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC2CC2)C1 ZINC001030155939 711827113 /nfs/dbraw/zinc/82/71/13/711827113.db2.gz RRIUEOAPKVPEHU-LBPRGKRZSA-N 2 2 237.347 0.291 20 0 BCADLP Cn1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000383641857 711873993 /nfs/dbraw/zinc/87/39/93/711873993.db2.gz BPKHTFYYIIAOLI-DLOVCJGASA-N 2 2 235.335 0.374 20 0 BCADLP Cn1ncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000383641857 711873995 /nfs/dbraw/zinc/87/39/95/711873995.db2.gz BPKHTFYYIIAOLI-DLOVCJGASA-N 2 2 235.335 0.374 20 0 BCADLP CC(C)C1(O)C[NH+](CCn2cc[nH+]c2)C1 ZINC000084376804 711924889 /nfs/dbraw/zinc/92/48/89/711924889.db2.gz KSKAUBPGWBEXQW-UHFFFAOYSA-N 2 2 209.293 0.586 20 0 BCADLP Cc1cc(NC[C@@H]2COCC[N@H+]2C)nc(N)[nH+]1 ZINC000700257454 711989076 /nfs/dbraw/zinc/98/90/76/711989076.db2.gz AUWYICKZFFVREP-SECBINFHSA-N 2 2 237.307 0.110 20 0 BCADLP Cc1cc(NC[C@@H]2COCC[N@@H+]2C)nc(N)[nH+]1 ZINC000700257454 711989078 /nfs/dbraw/zinc/98/90/78/711989078.db2.gz AUWYICKZFFVREP-SECBINFHSA-N 2 2 237.307 0.110 20 0 BCADLP COC(=O)CCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000707475315 712171039 /nfs/dbraw/zinc/17/10/39/712171039.db2.gz CTHDVLQIVHXWAF-MNOVXSKESA-N 2 2 226.320 0.623 20 0 BCADLP COC(=O)CCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000707475315 712171041 /nfs/dbraw/zinc/17/10/41/712171041.db2.gz CTHDVLQIVHXWAF-MNOVXSKESA-N 2 2 226.320 0.623 20 0 BCADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)nn1C ZINC000710927046 712265913 /nfs/dbraw/zinc/26/59/13/712265913.db2.gz QVTGLMAPHWLRDF-NSHDSACASA-N 2 2 222.336 0.899 20 0 BCADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)nn1C ZINC000710927046 712265914 /nfs/dbraw/zinc/26/59/14/712265914.db2.gz QVTGLMAPHWLRDF-NSHDSACASA-N 2 2 222.336 0.899 20 0 BCADLP CC(=O)CC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000702397825 712357645 /nfs/dbraw/zinc/35/76/45/712357645.db2.gz YZLZQPYRJJZSJW-NEPJUHHUSA-N 2 2 210.321 0.849 20 0 BCADLP CC(=O)CC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000702397825 712357646 /nfs/dbraw/zinc/35/76/46/712357646.db2.gz YZLZQPYRJJZSJW-NEPJUHHUSA-N 2 2 210.321 0.849 20 0 BCADLP CC(=O)CC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000702397825 712357648 /nfs/dbraw/zinc/35/76/48/712357648.db2.gz YZLZQPYRJJZSJW-NEPJUHHUSA-N 2 2 210.321 0.849 20 0 BCADLP CC(=O)CC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000702397825 712357650 /nfs/dbraw/zinc/35/76/50/712357650.db2.gz YZLZQPYRJJZSJW-NEPJUHHUSA-N 2 2 210.321 0.849 20 0 BCADLP CN(C)c1nc(NC[C@@H]2CC[N@@H+]2C)cc[nH+]1 ZINC000712596032 712436396 /nfs/dbraw/zinc/43/63/96/712436396.db2.gz SBZZNLJRRVBGIW-VIFPVBQESA-N 2 2 221.308 0.659 20 0 BCADLP C[N@@H+]1CC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000712554820 712444789 /nfs/dbraw/zinc/44/47/89/712444789.db2.gz CNAMHWVFSZYRQG-PSEXLTFBSA-N 2 2 223.364 0.905 20 0 BCADLP C[N@H+]1CC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000712554820 712444791 /nfs/dbraw/zinc/44/47/91/712444791.db2.gz CNAMHWVFSZYRQG-PSEXLTFBSA-N 2 2 223.364 0.905 20 0 BCADLP C[NH+]1CC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000712554820 712444792 /nfs/dbraw/zinc/44/47/92/712444792.db2.gz CNAMHWVFSZYRQG-PSEXLTFBSA-N 2 2 223.364 0.905 20 0 BCADLP C[NH+]1CC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000712554820 712444793 /nfs/dbraw/zinc/44/47/93/712444793.db2.gz CNAMHWVFSZYRQG-PSEXLTFBSA-N 2 2 223.364 0.905 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](C)C[C@H]1CC2(CO1)CCOCC2 ZINC000712698687 712448695 /nfs/dbraw/zinc/44/86/95/712448695.db2.gz RZMKKRKQSKVQAT-VXGBXAGGSA-N 2 2 242.363 0.851 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@H]1CC2(CO1)CCOCC2 ZINC000712698687 712448696 /nfs/dbraw/zinc/44/86/96/712448696.db2.gz RZMKKRKQSKVQAT-VXGBXAGGSA-N 2 2 242.363 0.851 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000714246491 712480328 /nfs/dbraw/zinc/48/03/28/712480328.db2.gz REWVOLZZGPULDV-GWOFURMSSA-N 2 2 246.376 0.292 20 0 BCADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CC[NH3+] ZINC000036999264 712528800 /nfs/dbraw/zinc/52/88/00/712528800.db2.gz KTGNUWNHLMQOBB-JTQLQIEISA-N 2 2 238.335 0.763 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1COCCO1 ZINC000925487090 712611060 /nfs/dbraw/zinc/61/10/60/712611060.db2.gz VNWPIOVMNVNZMI-ZJUUUORDSA-N 2 2 214.309 0.132 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@H]1CC[N@H+](C)[C@H]1C ZINC000719332706 712804418 /nfs/dbraw/zinc/80/44/18/712804418.db2.gz IMALMGUKQXNLFQ-YUMQZZPRSA-N 2 2 237.307 0.572 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000719332706 712804419 /nfs/dbraw/zinc/80/44/19/712804419.db2.gz IMALMGUKQXNLFQ-YUMQZZPRSA-N 2 2 237.307 0.572 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000719332705 712804732 /nfs/dbraw/zinc/80/47/32/712804732.db2.gz IMALMGUKQXNLFQ-SFYZADRCSA-N 2 2 237.307 0.572 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000719332705 712804733 /nfs/dbraw/zinc/80/47/33/712804733.db2.gz IMALMGUKQXNLFQ-SFYZADRCSA-N 2 2 237.307 0.572 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCO[C@H](C)CC1 ZINC000720427329 712841041 /nfs/dbraw/zinc/84/10/41/712841041.db2.gz SBOCMSGURPSZEX-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@H](C)CC1 ZINC000720427329 712841042 /nfs/dbraw/zinc/84/10/42/712841042.db2.gz SBOCMSGURPSZEX-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@H](C)CC1 ZINC000720427329 712841044 /nfs/dbraw/zinc/84/10/44/712841044.db2.gz SBOCMSGURPSZEX-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCO[C@H](C)CC1 ZINC000720427329 712841046 /nfs/dbraw/zinc/84/10/46/712841046.db2.gz SBOCMSGURPSZEX-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP C[NH+](C)CCSCC(=O)N1CC[NH+](C)CC1 ZINC000340544260 398140063 /nfs/dbraw/zinc/14/00/63/398140063.db2.gz KUPLJPLXRCISOP-UHFFFAOYSA-N 2 2 245.392 0.055 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CC1(C)C ZINC000572420254 398142159 /nfs/dbraw/zinc/14/21/59/398142159.db2.gz SEPFEDCJXDOYKD-NWDGAFQWSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CC1(C)C ZINC000572420254 398142162 /nfs/dbraw/zinc/14/21/62/398142162.db2.gz SEPFEDCJXDOYKD-NWDGAFQWSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CC1(C)C ZINC000572420254 398142164 /nfs/dbraw/zinc/14/21/64/398142164.db2.gz SEPFEDCJXDOYKD-NWDGAFQWSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CC1(C)C ZINC000572420254 398142172 /nfs/dbraw/zinc/14/21/72/398142172.db2.gz SEPFEDCJXDOYKD-NWDGAFQWSA-N 2 2 244.379 0.656 20 0 BCADLP CCC(CC)(C[NH3+])NC(=O)CCn1cc[nH+]c1 ZINC000111831311 168323034 /nfs/dbraw/zinc/32/30/34/168323034.db2.gz QDWOLTWUJIXZNB-UHFFFAOYSA-N 2 2 238.335 0.907 20 0 BCADLP COCCOCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422907608 398156816 /nfs/dbraw/zinc/15/68/16/398156816.db2.gz XFHDEHJLJFCDOK-GHMZBOCLSA-N 2 2 216.325 0.237 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)CCN1CCOCC1 ZINC000161822331 349509448 /nfs/dbraw/zinc/50/94/48/349509448.db2.gz HTSVMIFFSKQXSG-UHFFFAOYSA-N 2 2 238.335 0.147 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000584239838 398184105 /nfs/dbraw/zinc/18/41/05/398184105.db2.gz OBJNYIFUQMIBFD-KOLCDFICSA-N 2 2 226.324 0.373 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000584239838 398184106 /nfs/dbraw/zinc/18/41/06/398184106.db2.gz OBJNYIFUQMIBFD-KOLCDFICSA-N 2 2 226.324 0.373 20 0 BCADLP c1cc2c(c(C[NH2+]C[C@H]3C[NH2+]CCO3)c1)NCC2 ZINC000415095198 398160772 /nfs/dbraw/zinc/16/07/72/398160772.db2.gz LUTMMGXVWCAFSW-CYBMUJFWSA-N 2 2 247.342 0.733 20 0 BCADLP Cc1cc(N2C[C@H]3C[NH+](C)C[C@@H]3C2)nc[nH+]1 ZINC000362680644 178122463 /nfs/dbraw/zinc/12/24/63/178122463.db2.gz JVPSRUOGJBXRSG-GHMZBOCLSA-N 2 2 218.304 0.783 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926858 398204754 /nfs/dbraw/zinc/20/47/54/398204754.db2.gz NVHUOHRZNXITON-AOOOYVTPSA-N 2 2 234.303 0.223 20 0 BCADLP c1cnnc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)c1 ZINC000649412220 398213861 /nfs/dbraw/zinc/21/38/61/398213861.db2.gz XITXBKYYDQNNFQ-LBPRGKRZSA-N 2 2 247.346 0.208 20 0 BCADLP FC(F)CN1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411887 398214103 /nfs/dbraw/zinc/21/41/03/398214103.db2.gz PGWUJMKYEFTEAQ-SNVBAGLBSA-N 2 2 233.306 0.479 20 0 BCADLP FC(F)CN1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000649411886 398214431 /nfs/dbraw/zinc/21/44/31/398214431.db2.gz PGWUJMKYEFTEAQ-JTQLQIEISA-N 2 2 233.306 0.479 20 0 BCADLP COC[C@@H](C)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000576344711 365572123 /nfs/dbraw/zinc/57/21/23/365572123.db2.gz ZNACYRHJBAQZAE-QWHCGFSZSA-N 2 2 244.379 0.705 20 0 BCADLP COC[C@@H](C)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000576344711 365572129 /nfs/dbraw/zinc/57/21/29/365572129.db2.gz ZNACYRHJBAQZAE-QWHCGFSZSA-N 2 2 244.379 0.705 20 0 BCADLP Cc1cc(NC(=O)[C@@H]2C[N@H+](C)CCO2)cc[nH+]1 ZINC000081386623 178145466 /nfs/dbraw/zinc/14/54/66/178145466.db2.gz HAZPYXLHWLCUQN-NSHDSACASA-N 2 2 235.287 0.659 20 0 BCADLP Cc1cc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc[nH+]1 ZINC000081386623 178145467 /nfs/dbraw/zinc/14/54/67/178145467.db2.gz HAZPYXLHWLCUQN-NSHDSACASA-N 2 2 235.287 0.659 20 0 BCADLP Cc1cc(NC(=O)[C@H]2CSC[NH2+]2)cc[nH+]1 ZINC000074933196 178149417 /nfs/dbraw/zinc/14/94/17/178149417.db2.gz WAJXWBMLBCUQCF-SECBINFHSA-N 2 2 223.301 0.991 20 0 BCADLP Cc1cc(NCCC[N@@H+]2CCNC(=O)C2)cc[nH+]1 ZINC000278264686 178159866 /nfs/dbraw/zinc/15/98/66/178159866.db2.gz ACPARFNLWXAIOV-UHFFFAOYSA-N 2 2 248.330 0.624 20 0 BCADLP Cc1cc(NCCC[N@H+]2CCNC(=O)C2)cc[nH+]1 ZINC000278264686 178159869 /nfs/dbraw/zinc/15/98/69/178159869.db2.gz ACPARFNLWXAIOV-UHFFFAOYSA-N 2 2 248.330 0.624 20 0 BCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000639017080 398222848 /nfs/dbraw/zinc/22/28/48/398222848.db2.gz RFOBMECXFKLWGK-VHSXEESVSA-N 2 2 236.319 0.756 20 0 BCADLP C[C@](C[NH3+])([NH2+]CC(=O)NCC1CCC1)C1CC1 ZINC000430574858 398229495 /nfs/dbraw/zinc/22/94/95/398229495.db2.gz PCYQPLHXTROYNR-CYBMUJFWSA-N 2 2 239.363 0.620 20 0 BCADLP CC(C)([NH3+])C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000430769405 398232271 /nfs/dbraw/zinc/23/22/71/398232271.db2.gz UTILBFGGLZFXQZ-UHFFFAOYSA-N 2 2 236.319 0.853 20 0 BCADLP CC(C)([NH3+])C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000430769405 398232277 /nfs/dbraw/zinc/23/22/77/398232277.db2.gz UTILBFGGLZFXQZ-UHFFFAOYSA-N 2 2 236.319 0.853 20 0 BCADLP C[NH+](C)C1(C(=O)NCCNc2cccc[nH+]2)CC1 ZINC000629946482 361788447 /nfs/dbraw/zinc/78/84/47/361788447.db2.gz QOAHPQVYZNURQT-UHFFFAOYSA-N 2 2 248.330 0.704 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CC[C@H]1O ZINC000378738756 346819404 /nfs/dbraw/zinc/81/94/04/346819404.db2.gz OBFFSEKZRZEGNC-HJQYOEGKSA-N 2 2 210.321 0.582 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CC[C@H]1O ZINC000378738756 346819406 /nfs/dbraw/zinc/81/94/06/346819406.db2.gz OBFFSEKZRZEGNC-HJQYOEGKSA-N 2 2 210.321 0.582 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C(C)(C)CC(N)=O ZINC000386340852 398264821 /nfs/dbraw/zinc/26/48/21/398264821.db2.gz RVEBWXWMRFBZEZ-SECBINFHSA-N 2 2 213.325 0.324 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+]C(C)(C)CC(N)=O ZINC000386340852 398264823 /nfs/dbraw/zinc/26/48/23/398264823.db2.gz RVEBWXWMRFBZEZ-SECBINFHSA-N 2 2 213.325 0.324 20 0 BCADLP COCCC[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000062031634 349615105 /nfs/dbraw/zinc/61/51/05/349615105.db2.gz CFQNKBJBEGDXEE-UHFFFAOYSA-N 2 2 242.323 0.732 20 0 BCADLP COCCC[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000062031634 349615106 /nfs/dbraw/zinc/61/51/06/349615106.db2.gz CFQNKBJBEGDXEE-UHFFFAOYSA-N 2 2 242.323 0.732 20 0 BCADLP CC(C)[C@@H](C(=O)NCCc1[nH]cc[nH+]1)[C@@H](C)[NH3+] ZINC000399606552 342739793 /nfs/dbraw/zinc/73/97/93/342739793.db2.gz WUVNHRLQFPNGQR-MWLCHTKSSA-N 2 2 238.335 0.688 20 0 BCADLP C[N@@H+](CC(=O)N1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000629995251 361882823 /nfs/dbraw/zinc/88/28/23/361882823.db2.gz ZRRORHLCYVTYKS-UHFFFAOYSA-N 2 2 248.330 0.779 20 0 BCADLP C[N@H+](CC(=O)N1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000629995251 361882828 /nfs/dbraw/zinc/88/28/28/361882828.db2.gz ZRRORHLCYVTYKS-UHFFFAOYSA-N 2 2 248.330 0.779 20 0 BCADLP C[N@@H+](CC(=O)N1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000629995251 361882834 /nfs/dbraw/zinc/88/28/34/361882834.db2.gz ZRRORHLCYVTYKS-UHFFFAOYSA-N 2 2 248.330 0.779 20 0 BCADLP CN1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000040671731 538972496 /nfs/dbraw/zinc/97/24/96/538972496.db2.gz ZPJGYCCPEXTOAO-LBPRGKRZSA-N 2 2 211.353 0.764 20 0 BCADLP Cn1cc[nH+]c1-c1cnc(N2CC[NH2+]CC2)nc1 ZINC000630053715 361923451 /nfs/dbraw/zinc/92/34/51/361923451.db2.gz YJCGYWQTLQWFNQ-UHFFFAOYSA-N 2 2 244.302 0.287 20 0 BCADLP Cc1cccc(NCC[N@@H+]2CC[C@H](O)C2)[nH+]1 ZINC000624772674 342827074 /nfs/dbraw/zinc/82/70/74/342827074.db2.gz BXGUTJTZZKCGPF-NSHDSACASA-N 2 2 221.304 0.869 20 0 BCADLP Cc1cccc(NCC[N@H+]2CC[C@H](O)C2)[nH+]1 ZINC000624772674 342827075 /nfs/dbraw/zinc/82/70/75/342827075.db2.gz BXGUTJTZZKCGPF-NSHDSACASA-N 2 2 221.304 0.869 20 0 BCADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOC1 ZINC000449391290 398293958 /nfs/dbraw/zinc/29/39/58/398293958.db2.gz YADHHCUBVRARMG-STQMWFEESA-N 2 2 242.363 0.602 20 0 BCADLP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOC1 ZINC000449391290 398293961 /nfs/dbraw/zinc/29/39/61/398293961.db2.gz YADHHCUBVRARMG-STQMWFEESA-N 2 2 242.363 0.602 20 0 BCADLP CC[NH+](CC)CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000381470475 539001593 /nfs/dbraw/zinc/00/15/93/539001593.db2.gz OIBBFDTUZMCWCI-STQMWFEESA-N 3 2 225.380 0.870 20 0 BCADLP Cn1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000082303947 259323243 /nfs/dbraw/zinc/32/32/43/259323243.db2.gz AYAKQPOECJQZHE-QWRGUYRKSA-N 2 2 206.293 0.071 20 0 BCADLP C[C@H](O)[C@H](C)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000520397556 398304942 /nfs/dbraw/zinc/30/49/42/398304942.db2.gz IQHLJGJFDXPISS-GARJFASQSA-N 2 2 232.393 0.783 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@@H]1c1nc(C[NH2+]C)no1 ZINC000581883821 342867299 /nfs/dbraw/zinc/86/72/99/342867299.db2.gz BLDMADVDOKJGCF-YUMQZZPRSA-N 2 2 210.281 0.645 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000335646860 136243657 /nfs/dbraw/zinc/24/36/57/136243657.db2.gz OWPJSGWXUXUHDW-MNOVXSKESA-N 3 2 211.353 0.716 20 0 BCADLP COC(=O)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000035247956 342886376 /nfs/dbraw/zinc/88/63/76/342886376.db2.gz JZWZWHMYIOURNB-UHFFFAOYSA-N 2 2 214.309 0.576 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCc2cn[nH]c2)n1C ZINC000584004994 342900384 /nfs/dbraw/zinc/90/03/84/342900384.db2.gz DWNCBZWSVJUEMK-UHFFFAOYSA-N 2 2 219.292 0.784 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167657283 536630678 /nfs/dbraw/zinc/63/06/78/536630678.db2.gz MYFVHLZWECWNKV-GUBZILKMSA-N 2 2 214.309 0.465 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167657283 536630682 /nfs/dbraw/zinc/63/06/82/536630682.db2.gz MYFVHLZWECWNKV-GUBZILKMSA-N 2 2 214.309 0.465 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220930584 536630751 /nfs/dbraw/zinc/63/07/51/536630751.db2.gz ULDMNNWKLXQXPJ-SDDRHHMPSA-N 2 2 240.347 0.964 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220930584 536630752 /nfs/dbraw/zinc/63/07/52/536630752.db2.gz ULDMNNWKLXQXPJ-SDDRHHMPSA-N 2 2 240.347 0.964 20 0 BCADLP COC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220930584 536630754 /nfs/dbraw/zinc/63/07/54/536630754.db2.gz ULDMNNWKLXQXPJ-SDDRHHMPSA-N 2 2 240.347 0.964 20 0 BCADLP COC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220930584 536630758 /nfs/dbraw/zinc/63/07/58/536630758.db2.gz ULDMNNWKLXQXPJ-SDDRHHMPSA-N 2 2 240.347 0.964 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000380231778 346883921 /nfs/dbraw/zinc/88/39/21/346883921.db2.gz REGHEZHHEHGQAL-RNFRBKRXSA-N 2 2 210.281 0.318 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1CC(C2CC2)C1)C1CC1 ZINC000642924419 398336729 /nfs/dbraw/zinc/33/67/29/398336729.db2.gz OLVNRUNEFKFMLF-CYBMUJFWSA-N 2 2 224.348 0.783 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC(C2CC2)C1)C1CC1 ZINC000642924419 398336730 /nfs/dbraw/zinc/33/67/30/398336730.db2.gz OLVNRUNEFKFMLF-CYBMUJFWSA-N 2 2 224.348 0.783 20 0 BCADLP COC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124380657 398338844 /nfs/dbraw/zinc/33/88/44/398338844.db2.gz QNZZUVHWVXBJIW-JTQLQIEISA-N 2 2 225.292 0.767 20 0 BCADLP COC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124380657 398338845 /nfs/dbraw/zinc/33/88/45/398338845.db2.gz QNZZUVHWVXBJIW-JTQLQIEISA-N 2 2 225.292 0.767 20 0 BCADLP CNC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000157352235 398340230 /nfs/dbraw/zinc/34/02/30/398340230.db2.gz NWCFHBMYIDLSKT-NSHDSACASA-N 2 2 225.336 0.150 20 0 BCADLP CNC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000157352235 398340231 /nfs/dbraw/zinc/34/02/31/398340231.db2.gz NWCFHBMYIDLSKT-NSHDSACASA-N 2 2 225.336 0.150 20 0 BCADLP CC[C@@H](CO)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000309066980 529515461 /nfs/dbraw/zinc/51/54/61/529515461.db2.gz ZZXFHHUQKVPMRW-JFGNBEQYSA-N 2 2 212.337 0.830 20 0 BCADLP CC[C@@H](CO)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000309066980 529515464 /nfs/dbraw/zinc/51/54/64/529515464.db2.gz ZZXFHHUQKVPMRW-JFGNBEQYSA-N 2 2 212.337 0.830 20 0 BCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]CC1(O)CCC1 ZINC000576816530 365692711 /nfs/dbraw/zinc/69/27/11/365692711.db2.gz WZJYAKMQFWLGLB-LBPRGKRZSA-N 2 2 242.363 0.602 20 0 BCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]CC1(O)CCC1 ZINC000576816530 365692712 /nfs/dbraw/zinc/69/27/12/365692712.db2.gz WZJYAKMQFWLGLB-LBPRGKRZSA-N 2 2 242.363 0.602 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCO[C@@H](C)C1 ZINC000381149915 344019167 /nfs/dbraw/zinc/01/91/67/344019167.db2.gz OSWLWUXVTJLJCQ-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCO[C@@H](C)C1 ZINC000381149915 344019170 /nfs/dbraw/zinc/01/91/70/344019170.db2.gz OSWLWUXVTJLJCQ-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000381149915 344019171 /nfs/dbraw/zinc/01/91/71/344019171.db2.gz OSWLWUXVTJLJCQ-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCO[C@@H](C)C1 ZINC000381149915 344019173 /nfs/dbraw/zinc/01/91/73/344019173.db2.gz OSWLWUXVTJLJCQ-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@H](C)C[NH3+] ZINC000493168841 529553346 /nfs/dbraw/zinc/55/33/46/529553346.db2.gz TVPJNNZYDHRURR-ORAHPGNNSA-N 2 2 236.319 0.627 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000493591604 529555100 /nfs/dbraw/zinc/55/51/00/529555100.db2.gz WNEFAMJLQUFATN-MVIFTORASA-N 2 2 248.330 0.784 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000493323413 529556765 /nfs/dbraw/zinc/55/67/65/529556765.db2.gz PTWJPYUKJSOALO-WYGGZMRJSA-N 2 2 248.330 0.737 20 0 BCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](C)(F)C2)CC1 ZINC000335901148 136259090 /nfs/dbraw/zinc/25/90/90/136259090.db2.gz NJKDVDVCNCDXIP-LBPRGKRZSA-N 2 2 243.326 0.194 20 0 BCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@](C)(F)C2)CC1 ZINC000335901148 136259091 /nfs/dbraw/zinc/25/90/91/136259091.db2.gz NJKDVDVCNCDXIP-LBPRGKRZSA-N 2 2 243.326 0.194 20 0 BCADLP COC[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000262017588 536785571 /nfs/dbraw/zinc/78/55/71/536785571.db2.gz MVXHWHHFUYJICM-NWDGAFQWSA-N 2 2 228.336 0.333 20 0 BCADLP COC[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000262017588 536785577 /nfs/dbraw/zinc/78/55/77/536785577.db2.gz MVXHWHHFUYJICM-NWDGAFQWSA-N 2 2 228.336 0.333 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000049235050 343096968 /nfs/dbraw/zinc/09/69/68/343096968.db2.gz JQMBOWKGRKPJGH-NWDGAFQWSA-N 2 2 249.318 0.119 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCOC[C@H](O)C1 ZINC000399889956 343095550 /nfs/dbraw/zinc/09/55/50/343095550.db2.gz IWZUOCUKCAXNKR-GFCCVEGCSA-N 2 2 239.319 0.046 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CCOC[C@H](O)C1 ZINC000399889956 343095552 /nfs/dbraw/zinc/09/55/52/343095552.db2.gz IWZUOCUKCAXNKR-GFCCVEGCSA-N 2 2 239.319 0.046 20 0 BCADLP COC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402799325 343111519 /nfs/dbraw/zinc/11/15/19/343111519.db2.gz XAPATFSUHFCWSE-SCVCMEIPSA-N 2 2 226.320 0.609 20 0 BCADLP COC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402799325 343111522 /nfs/dbraw/zinc/11/15/22/343111522.db2.gz XAPATFSUHFCWSE-SCVCMEIPSA-N 2 2 226.320 0.609 20 0 BCADLP C[C@H]1CC[NH2+][C@@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000127692565 343179033 /nfs/dbraw/zinc/17/90/33/343179033.db2.gz DIAZVWHEBGIBNF-VHSXEESVSA-N 2 2 236.319 0.457 20 0 BCADLP Cc1cccc(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000122563546 343160181 /nfs/dbraw/zinc/16/01/81/343160181.db2.gz HAIUFMXLAALAHI-CYBMUJFWSA-N 2 2 247.342 0.710 20 0 BCADLP Cc1cccc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000122563546 343160185 /nfs/dbraw/zinc/16/01/85/343160185.db2.gz HAIUFMXLAALAHI-CYBMUJFWSA-N 2 2 247.342 0.710 20 0 BCADLP C[N@@H+]1CCN(C(=O)NC2CCCC2)[C@@H](C[NH3+])C1 ZINC000122663315 343160824 /nfs/dbraw/zinc/16/08/24/343160824.db2.gz ABVDXGYAJMFIOZ-NSHDSACASA-N 2 2 240.351 0.213 20 0 BCADLP C[N@H+]1CCN(C(=O)NC2CCCC2)[C@@H](C[NH3+])C1 ZINC000122663315 343160825 /nfs/dbraw/zinc/16/08/25/343160825.db2.gz ABVDXGYAJMFIOZ-NSHDSACASA-N 2 2 240.351 0.213 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000124507954 343163021 /nfs/dbraw/zinc/16/30/21/343163021.db2.gz WYMWKYJJVOZWPN-WOPDTQHZSA-N 2 2 241.379 0.959 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000124507954 343163023 /nfs/dbraw/zinc/16/30/23/343163023.db2.gz WYMWKYJJVOZWPN-WOPDTQHZSA-N 2 2 241.379 0.959 20 0 BCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccn(C)n1 ZINC000124001405 343166661 /nfs/dbraw/zinc/16/66/61/343166661.db2.gz FDBMRAMCBHPOLK-ZJUUUORDSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccn(C)n1 ZINC000124001405 343166663 /nfs/dbraw/zinc/16/66/63/343166663.db2.gz FDBMRAMCBHPOLK-ZJUUUORDSA-N 2 2 208.309 0.589 20 0 BCADLP Cn1cc(CC[N@H+](C)CCCn2cc[nH+]c2)nn1 ZINC000625275565 343215390 /nfs/dbraw/zinc/21/53/90/343215390.db2.gz YRQIHZHAWWEZOH-UHFFFAOYSA-N 2 2 248.334 0.576 20 0 BCADLP CC(C)C[C@H](CO)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336767314 136276323 /nfs/dbraw/zinc/27/63/23/136276323.db2.gz SXTNGWLDVQRKCE-TUAOUCFPSA-N 2 2 214.353 0.933 20 0 BCADLP CC(C)C[C@H](CO)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336767314 136276324 /nfs/dbraw/zinc/27/63/24/136276324.db2.gz SXTNGWLDVQRKCE-TUAOUCFPSA-N 2 2 214.353 0.933 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@H](C)Cn1cc[nH+]c1 ZINC000134848918 343191400 /nfs/dbraw/zinc/19/14/00/343191400.db2.gz KEPXUPKVQVGTSH-MRVPVSSYSA-N 2 2 248.290 0.765 20 0 BCADLP Cc1[nH+]cccc1Cn1cc(COCC[NH3+])nn1 ZINC000641050500 362158110 /nfs/dbraw/zinc/15/81/10/362158110.db2.gz BPVNUHRRTNAADC-UHFFFAOYSA-N 2 2 247.302 0.505 20 0 BCADLP Cc1[nH+]ccn1CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000348750805 136296731 /nfs/dbraw/zinc/29/67/31/136296731.db2.gz PTOJJDSSTAGJJQ-STQMWFEESA-N 3 2 234.347 0.733 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000036999306 343330147 /nfs/dbraw/zinc/33/01/47/343330147.db2.gz JOWCBABBCYMHMW-ZJUUUORDSA-N 2 2 222.292 0.140 20 0 BCADLP CC[NH+](CC)Cc1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000641053409 362162993 /nfs/dbraw/zinc/16/29/93/362162993.db2.gz GYWKJOZRDVWKPP-UHFFFAOYSA-N 2 2 248.334 0.902 20 0 BCADLP CCC[C@H]([NH3+])c1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000641053242 362163137 /nfs/dbraw/zinc/16/31/37/362163137.db2.gz CRGDBUVSBYHLSI-JTQLQIEISA-N 2 2 234.307 0.860 20 0 BCADLP C[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)C[C@H]1CO ZINC000621373260 343313881 /nfs/dbraw/zinc/31/38/81/343313881.db2.gz FQHOFJOSUFRVMC-NEPJUHHUSA-N 2 2 237.347 0.913 20 0 BCADLP C[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)C[C@H]1CO ZINC000621373260 343313882 /nfs/dbraw/zinc/31/38/82/343313882.db2.gz FQHOFJOSUFRVMC-NEPJUHHUSA-N 2 2 237.347 0.913 20 0 BCADLP CC(C)[C@@H](C[NH3+])C(=O)NCc1[nH]cc[nH+]1 ZINC000070646428 343337985 /nfs/dbraw/zinc/33/79/85/343337985.db2.gz ISQBJRXFBPXMSV-MRVPVSSYSA-N 2 2 210.281 0.257 20 0 BCADLP C[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000367062459 136302569 /nfs/dbraw/zinc/30/25/69/136302569.db2.gz NBAOTLSRJIPGPC-GHMZBOCLSA-N 2 2 248.330 0.514 20 0 BCADLP C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000584087206 343378052 /nfs/dbraw/zinc/37/80/52/343378052.db2.gz RAXWAFUZPUYPNQ-MNOVXSKESA-N 2 2 236.319 0.482 20 0 BCADLP C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC000584087206 343378055 /nfs/dbraw/zinc/37/80/55/343378055.db2.gz RAXWAFUZPUYPNQ-MNOVXSKESA-N 2 2 236.319 0.482 20 0 BCADLP O=C(C1C[NH2+]C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000335673231 136317201 /nfs/dbraw/zinc/31/72/01/136317201.db2.gz WKOQZLKOHQEZSA-VIFPVBQESA-N 2 2 234.303 0.335 20 0 BCADLP O=C(C1C[NH2+]C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000335673230 136317458 /nfs/dbraw/zinc/31/74/58/136317458.db2.gz WKOQZLKOHQEZSA-SECBINFHSA-N 2 2 234.303 0.335 20 0 BCADLP CC(C)([NH3+])C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000040921912 343411327 /nfs/dbraw/zinc/41/13/27/343411327.db2.gz CXOPLMIMJNNDPQ-UHFFFAOYSA-N 2 2 245.286 0.943 20 0 BCADLP c1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)on1 ZINC000310290070 343411418 /nfs/dbraw/zinc/41/14/18/343411418.db2.gz NKWMBDPEUTUKIT-LLVKDONJSA-N 2 2 236.319 0.154 20 0 BCADLP [NH3+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000041028407 343412542 /nfs/dbraw/zinc/41/25/42/343412542.db2.gz RPCLPKKXTNFJMK-JTQLQIEISA-N 2 2 222.292 0.223 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000349189142 136331145 /nfs/dbraw/zinc/33/11/45/136331145.db2.gz FEWZOYQLRVOSCX-OLZOCXBDSA-N 3 2 243.395 0.494 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000349189142 136331146 /nfs/dbraw/zinc/33/11/46/136331146.db2.gz FEWZOYQLRVOSCX-OLZOCXBDSA-N 3 2 243.395 0.494 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)C[C@H]1CCC[NH2+]1 ZINC000042170023 343430375 /nfs/dbraw/zinc/43/03/75/343430375.db2.gz ZDCABGULUUJKFY-SNVBAGLBSA-N 2 2 236.319 0.521 20 0 BCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000576983528 365742807 /nfs/dbraw/zinc/74/28/07/365742807.db2.gz UULUUUWYXIPTET-QWRGUYRKSA-N 2 2 248.330 0.608 20 0 BCADLP CC1=CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000335850224 136355314 /nfs/dbraw/zinc/35/53/14/136355314.db2.gz ASXHTAQEHSGWKS-UHFFFAOYSA-N 2 2 237.347 0.412 20 0 BCADLP CC1=CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000335850224 136355315 /nfs/dbraw/zinc/35/53/15/136355315.db2.gz ASXHTAQEHSGWKS-UHFFFAOYSA-N 2 2 237.347 0.412 20 0 BCADLP COC[C@@](C)(CC(=O)OC)[NH2+]Cc1c[nH+]c[nH]1 ZINC000350273104 136357293 /nfs/dbraw/zinc/35/72/93/136357293.db2.gz ZGDWQLHKBFZZGX-LLVKDONJSA-N 2 2 241.291 0.468 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cn1 ZINC000335889270 136358331 /nfs/dbraw/zinc/35/83/31/136358331.db2.gz LFVCIEOCZNOFIB-QWHCGFSZSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cn1 ZINC000335889270 136358332 /nfs/dbraw/zinc/35/83/32/136358332.db2.gz LFVCIEOCZNOFIB-QWHCGFSZSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cn1 ZINC000335889270 136358333 /nfs/dbraw/zinc/35/83/33/136358333.db2.gz LFVCIEOCZNOFIB-QWHCGFSZSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cn1 ZINC000335889270 136358334 /nfs/dbraw/zinc/35/83/34/136358334.db2.gz LFVCIEOCZNOFIB-QWHCGFSZSA-N 2 2 234.347 0.946 20 0 BCADLP c1cn(CC[NH2+]C[C@@H]2CCCOC2)c[nH+]1 ZINC000082581146 343452552 /nfs/dbraw/zinc/45/25/52/343452552.db2.gz OFOZOBAWAXMDRW-NSHDSACASA-N 2 2 209.293 0.899 20 0 BCADLP c1cn(CCn2cc(C[C@H]3CC[NH2+]C3)nn2)c[nH+]1 ZINC000641124012 362231284 /nfs/dbraw/zinc/23/12/84/362231284.db2.gz RYGLAJPVBSHOBT-LLVKDONJSA-N 2 2 246.318 0.327 20 0 BCADLP COc1ccc(C)cc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000258966184 136374061 /nfs/dbraw/zinc/37/40/61/136374061.db2.gz LEBPNAOHCXNAEO-GFCCVEGCSA-N 2 2 238.331 0.755 20 0 BCADLP COc1ccc(C)cc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000258966184 136374062 /nfs/dbraw/zinc/37/40/62/136374062.db2.gz LEBPNAOHCXNAEO-GFCCVEGCSA-N 2 2 238.331 0.755 20 0 BCADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NCC1CC1 ZINC000261542468 136374537 /nfs/dbraw/zinc/37/45/37/136374537.db2.gz CGLFVILNLJTRBY-NWDGAFQWSA-N 2 2 237.347 0.196 20 0 BCADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NCC1CC1 ZINC000261542468 136374538 /nfs/dbraw/zinc/37/45/38/136374538.db2.gz CGLFVILNLJTRBY-NWDGAFQWSA-N 2 2 237.347 0.196 20 0 BCADLP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000310564996 343537915 /nfs/dbraw/zinc/53/79/15/343537915.db2.gz XCYLXCRGNZBMOJ-UPJWGTAASA-N 2 2 244.379 0.798 20 0 BCADLP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000310564996 343537916 /nfs/dbraw/zinc/53/79/16/343537916.db2.gz XCYLXCRGNZBMOJ-UPJWGTAASA-N 2 2 244.379 0.798 20 0 BCADLP CC[C@@H]1CO[C@H](C)C[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000310564996 343537917 /nfs/dbraw/zinc/53/79/17/343537917.db2.gz XCYLXCRGNZBMOJ-UPJWGTAASA-N 2 2 244.379 0.798 20 0 BCADLP CC[C@@H]1CO[C@H](C)C[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000310564996 343537918 /nfs/dbraw/zinc/53/79/18/343537918.db2.gz XCYLXCRGNZBMOJ-UPJWGTAASA-N 2 2 244.379 0.798 20 0 BCADLP Cn1c[nH+]cc1CC(=O)NCC1([NH+](C)C)CC1 ZINC000622721444 343574552 /nfs/dbraw/zinc/57/45/52/343574552.db2.gz RBRKIBFQOIVYBC-UHFFFAOYSA-N 2 2 236.319 0.173 20 0 BCADLP COC[C@@]1(C(=O)Nc2cc[nH+]cc2C)CC[NH2+]C1 ZINC000310791835 343576457 /nfs/dbraw/zinc/57/64/57/343576457.db2.gz AZVZCVFLPVPRDC-CYBMUJFWSA-N 2 2 249.314 0.955 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H](C[NH3+])C(C)C ZINC000379966518 365768856 /nfs/dbraw/zinc/76/88/56/365768856.db2.gz HVEQNEBPZMWYER-SECBINFHSA-N 2 2 224.308 0.565 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C(C)(C)C[NH3+] ZINC000379973834 365770385 /nfs/dbraw/zinc/77/03/85/365770385.db2.gz PGHRNGZSZOJKGX-UHFFFAOYSA-N 2 2 210.281 0.319 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000379977885 365773824 /nfs/dbraw/zinc/77/38/24/365773824.db2.gz TUWITBVJFLKRAL-QMMMGPOBSA-N 2 2 222.292 0.475 20 0 BCADLP CSC[C@H](O)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000572751629 323052734 /nfs/dbraw/zinc/05/27/34/323052734.db2.gz OEUQRNLQWLUXTC-WCQGTBRESA-N 2 2 244.404 0.783 20 0 BCADLP CSC[C@H](O)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000572751629 323052735 /nfs/dbraw/zinc/05/27/35/323052735.db2.gz OEUQRNLQWLUXTC-WCQGTBRESA-N 2 2 244.404 0.783 20 0 BCADLP CC[NH+]1CCC([NH2+]Cc2nccn2C)CC1 ZINC000049856738 343606671 /nfs/dbraw/zinc/60/66/71/343606671.db2.gz DGVAIFYTSWUMPV-UHFFFAOYSA-N 2 2 222.336 0.994 20 0 BCADLP C[C@@H]1C[C@H](C)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000335868400 344035811 /nfs/dbraw/zinc/03/58/11/344035811.db2.gz ACXLKFKPGSDTKK-NWDGAFQWSA-N 2 2 239.363 0.491 20 0 BCADLP C[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000335868400 344035812 /nfs/dbraw/zinc/03/58/12/344035812.db2.gz ACXLKFKPGSDTKK-NWDGAFQWSA-N 2 2 239.363 0.491 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCC(=O)N(C)C)n1C ZINC000580583227 365793417 /nfs/dbraw/zinc/79/34/17/365793417.db2.gz SFVXKIGDGPUAII-UHFFFAOYSA-N 2 2 224.308 0.296 20 0 BCADLP c1n[nH]cc1C[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625436618 343733925 /nfs/dbraw/zinc/73/39/25/343733925.db2.gz LATNNYGGOXNZOT-UHFFFAOYSA-N 2 2 203.249 0.691 20 0 BCADLP c1n[nH]cc1C[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625436618 343733927 /nfs/dbraw/zinc/73/39/27/343733927.db2.gz LATNNYGGOXNZOT-UHFFFAOYSA-N 2 2 203.249 0.691 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C1([NH3+])CCC1 ZINC000380243602 343711123 /nfs/dbraw/zinc/71/11/23/343711123.db2.gz WOHRVCHEWUQRLC-UHFFFAOYSA-N 2 2 208.265 0.216 20 0 BCADLP C[C@@H](CC1CC1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624335542 343717645 /nfs/dbraw/zinc/71/76/45/343717645.db2.gz UYUAQOSGISYCEJ-JQWIXIFHSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@@H](CC1CC1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624335542 343717647 /nfs/dbraw/zinc/71/76/47/343717647.db2.gz UYUAQOSGISYCEJ-JQWIXIFHSA-N 2 2 212.337 0.831 20 0 BCADLP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)on1 ZINC000088287954 343718665 /nfs/dbraw/zinc/71/86/65/343718665.db2.gz CSFJJZQOGZVDEE-AOOOYVTPSA-N 2 2 207.277 0.634 20 0 BCADLP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)on1 ZINC000088287954 343718666 /nfs/dbraw/zinc/71/86/66/343718666.db2.gz CSFJJZQOGZVDEE-AOOOYVTPSA-N 2 2 207.277 0.634 20 0 BCADLP C[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1[nH]cc[nH+]1 ZINC000286045910 537809010 /nfs/dbraw/zinc/80/90/10/537809010.db2.gz KTYYSJZFBGBUDX-WDEREUQCSA-N 2 2 238.335 0.517 20 0 BCADLP COC[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000584149649 343765122 /nfs/dbraw/zinc/76/51/22/343765122.db2.gz HFIKRKTUUWXORM-JTQLQIEISA-N 2 2 224.308 0.567 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CC1CC1 ZINC000309219623 346994110 /nfs/dbraw/zinc/99/41/10/346994110.db2.gz GJMRJZHYAYZXHN-LBPRGKRZSA-N 2 2 230.352 0.267 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CC1CC1 ZINC000309219623 346994112 /nfs/dbraw/zinc/99/41/12/346994112.db2.gz GJMRJZHYAYZXHN-LBPRGKRZSA-N 2 2 230.352 0.267 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CC1CC1 ZINC000309219623 346994116 /nfs/dbraw/zinc/99/41/16/346994116.db2.gz GJMRJZHYAYZXHN-LBPRGKRZSA-N 2 2 230.352 0.267 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CC1CC1 ZINC000309219623 346994118 /nfs/dbraw/zinc/99/41/18/346994118.db2.gz GJMRJZHYAYZXHN-LBPRGKRZSA-N 2 2 230.352 0.267 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000066483546 349876986 /nfs/dbraw/zinc/87/69/86/349876986.db2.gz ZGIQUDIPZSJCMB-CYBMUJFWSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000066483546 349876989 /nfs/dbraw/zinc/87/69/89/349876989.db2.gz ZGIQUDIPZSJCMB-CYBMUJFWSA-N 2 2 244.379 0.657 20 0 BCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493174983 529949543 /nfs/dbraw/zinc/94/95/43/529949543.db2.gz YNIYOLUBGILSBV-FYJFLYSWSA-N 2 2 248.330 0.976 20 0 BCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493174983 529949544 /nfs/dbraw/zinc/94/95/44/529949544.db2.gz YNIYOLUBGILSBV-FYJFLYSWSA-N 2 2 248.330 0.976 20 0 BCADLP CO[C@@H](C)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625545724 343932096 /nfs/dbraw/zinc/93/20/96/343932096.db2.gz HBMWXGPKYWEYPI-LBPRGKRZSA-N 2 2 242.363 0.818 20 0 BCADLP Cc1c(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cnn1C ZINC000634733891 344114695 /nfs/dbraw/zinc/11/46/95/344114695.db2.gz QNFNBVMWEFTDED-OLZOCXBDSA-N 2 2 234.347 0.960 20 0 BCADLP CC(C)([NH3+])C(=O)NCCNc1cccc[nH+]1 ZINC000564915336 344126773 /nfs/dbraw/zinc/12/67/73/344126773.db2.gz JBBGELUTHALZDC-UHFFFAOYSA-N 2 2 222.292 0.347 20 0 BCADLP Cc1cc(NC(=O)N[C@@H]2CC[NH2+][C@H]2C)c(C)c[nH+]1 ZINC000625874059 344275884 /nfs/dbraw/zinc/27/58/84/344275884.db2.gz OSLDGFQAVWNOGJ-WDEREUQCSA-N 2 2 248.330 0.992 20 0 BCADLP C[NH2+]C[C@H](C)C(=O)NCCCCn1cc[nH+]c1 ZINC000092136552 344289158 /nfs/dbraw/zinc/28/91/58/344289158.db2.gz JSPVNQLVWQMQBR-NSHDSACASA-N 2 2 238.335 0.635 20 0 BCADLP C[NH2+]C[C@@H](C)C(=O)NCCCCn1cc[nH+]c1 ZINC000092136554 344289388 /nfs/dbraw/zinc/28/93/88/344289388.db2.gz JSPVNQLVWQMQBR-LLVKDONJSA-N 2 2 238.335 0.635 20 0 BCADLP CNC(=O)c1ccc(C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000094074622 344325718 /nfs/dbraw/zinc/32/57/18/344325718.db2.gz KCARDXZNPQZOJX-LBPRGKRZSA-N 2 2 233.315 0.498 20 0 BCADLP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CCC[NH2+]CC1 ZINC000034939725 344326776 /nfs/dbraw/zinc/32/67/76/344326776.db2.gz KQIUBUOJEYWWIF-LBPRGKRZSA-N 2 2 239.363 0.683 20 0 BCADLP C[C@@H](C(=O)N1CCCCC1)[N@H+]1CCC[NH2+]CC1 ZINC000034939725 344326778 /nfs/dbraw/zinc/32/67/78/344326778.db2.gz KQIUBUOJEYWWIF-LBPRGKRZSA-N 2 2 239.363 0.683 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1CNc1cc[nH+]cc1F ZINC000641371597 362380244 /nfs/dbraw/zinc/38/02/44/362380244.db2.gz SCKBWPDRSOCFTE-SNVBAGLBSA-N 2 2 238.310 0.300 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1CNc1cc[nH+]cc1F ZINC000641371597 362380246 /nfs/dbraw/zinc/38/02/46/362380246.db2.gz SCKBWPDRSOCFTE-SNVBAGLBSA-N 2 2 238.310 0.300 20 0 BCADLP [NH3+][C@H]1CCCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000634807345 344392209 /nfs/dbraw/zinc/39/22/09/344392209.db2.gz IGXRXFQGTIUQEN-JTQLQIEISA-N 2 2 244.302 0.590 20 0 BCADLP C[C@@H]1C[C@H](Nc2nc[nH+]c3c2OCCN3)CC[NH2+]1 ZINC000634808480 344393040 /nfs/dbraw/zinc/39/30/40/344393040.db2.gz UQGUQRKRLMKLRB-RKDXNWHRSA-N 2 2 249.318 0.833 20 0 BCADLP C[C@@H]1C[C@H](Nc2[nH+]cnc3c2OCCN3)CC[NH2+]1 ZINC000634808480 344393041 /nfs/dbraw/zinc/39/30/41/344393041.db2.gz UQGUQRKRLMKLRB-RKDXNWHRSA-N 2 2 249.318 0.833 20 0 BCADLP C[C@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)CC[NH2+]1 ZINC000634808072 344393183 /nfs/dbraw/zinc/39/31/83/344393183.db2.gz IYEAGVJWOQIKAE-JTQLQIEISA-N 2 2 244.302 0.460 20 0 BCADLP c1cn(-c2cc(N[C@H]3CC[NH2+]C3)ncn2)c[nH+]1 ZINC000634809263 344394233 /nfs/dbraw/zinc/39/42/33/344394233.db2.gz NMJGVDRFCYNBTN-VIFPVBQESA-N 2 2 230.275 0.436 20 0 BCADLP COc1c(C)[nH+]cnc1N[C@@H](C)[C@@H](C)[NH3+] ZINC000634810493 344395427 /nfs/dbraw/zinc/39/54/27/344395427.db2.gz YKFFXBDITUEILY-RQJHMYQMSA-N 2 2 210.281 0.941 20 0 BCADLP CN(c1nc[nH+]c2c1OCCN2)[C@H](C[NH3+])C1CC1 ZINC000634811668 344396492 /nfs/dbraw/zinc/39/64/92/344396492.db2.gz MVUSWBNAWREREW-SECBINFHSA-N 2 2 249.318 0.454 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000634812161 344396497 /nfs/dbraw/zinc/39/64/97/344396497.db2.gz BFKYHRGLTAHQGZ-DTWKUNHWSA-N 2 2 249.318 0.833 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@@H]1CCC[NH2+]CC1 ZINC000634813490 344398663 /nfs/dbraw/zinc/39/86/63/344398663.db2.gz NDJLTDPFQXFXSQ-MRVPVSSYSA-N 2 2 237.307 0.621 20 0 BCADLP COc1c(N)nc[nH+]c1N[C@@H]1CCC[NH2+]CC1 ZINC000634813490 344398665 /nfs/dbraw/zinc/39/86/65/344398665.db2.gz NDJLTDPFQXFXSQ-MRVPVSSYSA-N 2 2 237.307 0.621 20 0 BCADLP COC(=O)CCC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000041028778 344412618 /nfs/dbraw/zinc/41/26/18/344412618.db2.gz PFGIQEBGHCJMDQ-SECBINFHSA-N 2 2 200.282 0.363 20 0 BCADLP COC(=O)CCC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000041028778 344412620 /nfs/dbraw/zinc/41/26/20/344412620.db2.gz PFGIQEBGHCJMDQ-SECBINFHSA-N 2 2 200.282 0.363 20 0 BCADLP Cc1c[nH]c(CN2CC[C@@H]3C[N@H+](C)C[C@@H]32)[nH+]1 ZINC000628291867 347051976 /nfs/dbraw/zinc/05/19/76/347051976.db2.gz YDELSNOARHYGCG-MNOVXSKESA-N 2 2 220.320 0.854 20 0 BCADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccoc1)C1CC1 ZINC000381274546 344501616 /nfs/dbraw/zinc/50/16/16/344501616.db2.gz WNOCMFKBXCGHEO-GFCCVEGCSA-N 2 2 224.304 0.824 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccoc1)C1CC1 ZINC000381274546 344501618 /nfs/dbraw/zinc/50/16/18/344501618.db2.gz WNOCMFKBXCGHEO-GFCCVEGCSA-N 2 2 224.304 0.824 20 0 BCADLP C[C@@](O)(C[NH2+]CCn1cc[nH+]c1)C(F)(F)F ZINC000381666193 344532887 /nfs/dbraw/zinc/53/28/87/344532887.db2.gz VPDDUASAOWMXRF-MRVPVSSYSA-N 2 2 237.225 0.786 20 0 BCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC([NH2+]C)CC1 ZINC000037536925 344550142 /nfs/dbraw/zinc/55/01/42/344550142.db2.gz WOYUBQSVVNKOSH-LLVKDONJSA-N 2 2 241.379 0.927 20 0 BCADLP C[N@H+](CC[NH3+])CCCOCC(F)(F)F ZINC000049312106 344610753 /nfs/dbraw/zinc/61/07/53/344610753.db2.gz XKBIDGYTGKOCJQ-UHFFFAOYSA-N 2 2 214.231 0.846 20 0 BCADLP C[N@@H+](CC[NH3+])CCCOCC(F)(F)F ZINC000049312106 344610755 /nfs/dbraw/zinc/61/07/55/344610755.db2.gz XKBIDGYTGKOCJQ-UHFFFAOYSA-N 2 2 214.231 0.846 20 0 BCADLP C[N@H+](CC[NH3+])CCOCC(F)(F)F ZINC000049310737 344605094 /nfs/dbraw/zinc/60/50/94/344605094.db2.gz XXKPQHHUZCKTOO-UHFFFAOYSA-N 2 2 200.204 0.456 20 0 BCADLP C[N@@H+](CC[NH3+])CCOCC(F)(F)F ZINC000049310737 344605097 /nfs/dbraw/zinc/60/50/97/344605097.db2.gz XXKPQHHUZCKTOO-UHFFFAOYSA-N 2 2 200.204 0.456 20 0 BCADLP FCC[C@H]1C[N@H+](CCn2cc[nH+]c2)CCO1 ZINC000626004152 344666161 /nfs/dbraw/zinc/66/61/61/344666161.db2.gz ADRCXEBTLIRQHR-NSHDSACASA-N 2 2 227.283 0.944 20 0 BCADLP FCC[C@H]1C[N@@H+](CCn2cc[nH+]c2)CCO1 ZINC000626004152 344666163 /nfs/dbraw/zinc/66/61/63/344666163.db2.gz ADRCXEBTLIRQHR-NSHDSACASA-N 2 2 227.283 0.944 20 0 BCADLP Cn1c[nH+]cc1CN1CC[NH+](CCCF)CC1 ZINC000626071933 344715872 /nfs/dbraw/zinc/71/58/72/344715872.db2.gz ZNNFGNNHNBWDOW-UHFFFAOYSA-N 2 2 240.326 0.897 20 0 BCADLP C[N@@H+]1CCN(C(=O)/C=C\C(C)(C)C)[C@H](C[NH3+])C1 ZINC000493414959 530066034 /nfs/dbraw/zinc/06/60/34/530066034.db2.gz FZLBYNSRAUCWOY-ISALQUGTSA-N 2 2 239.363 0.690 20 0 BCADLP C[N@H+]1CCN(C(=O)/C=C\C(C)(C)C)[C@H](C[NH3+])C1 ZINC000493414959 530066035 /nfs/dbraw/zinc/06/60/35/530066035.db2.gz FZLBYNSRAUCWOY-ISALQUGTSA-N 2 2 239.363 0.690 20 0 BCADLP C[N@@H+]1CCN(C(=O)/C=C\C2CC2)[C@@H](C[NH3+])C1 ZINC000493352551 530066080 /nfs/dbraw/zinc/06/60/80/530066080.db2.gz MXMKQALNXQQPIZ-WYGGZMRJSA-N 2 2 223.320 0.054 20 0 BCADLP C[N@H+]1CCN(C(=O)/C=C\C2CC2)[C@@H](C[NH3+])C1 ZINC000493352551 530066081 /nfs/dbraw/zinc/06/60/81/530066081.db2.gz MXMKQALNXQQPIZ-WYGGZMRJSA-N 2 2 223.320 0.054 20 0 BCADLP C[N@@H+]1CCN(C(=O)/C=C/C2CC2)[C@@H](C[NH3+])C1 ZINC000493352553 530066093 /nfs/dbraw/zinc/06/60/93/530066093.db2.gz MXMKQALNXQQPIZ-ZWNMCFTASA-N 2 2 223.320 0.054 20 0 BCADLP C[N@H+]1CCN(C(=O)/C=C/C2CC2)[C@@H](C[NH3+])C1 ZINC000493352553 530066094 /nfs/dbraw/zinc/06/60/94/530066094.db2.gz MXMKQALNXQQPIZ-ZWNMCFTASA-N 2 2 223.320 0.054 20 0 BCADLP C[NH+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493648029 530066266 /nfs/dbraw/zinc/06/62/66/530066266.db2.gz CFLHIVIVRNHRCJ-IHWYPQMZSA-N 2 2 220.276 0.197 20 0 BCADLP Cc1c[nH]c(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)[nH+]1 ZINC000628177872 344907084 /nfs/dbraw/zinc/90/70/84/344907084.db2.gz RBKLBRBFZUTIMV-WDEREUQCSA-N 2 2 220.320 0.902 20 0 BCADLP CCn1cc([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)cn1 ZINC000154325075 345024893 /nfs/dbraw/zinc/02/48/93/345024893.db2.gz CGECPWLVMJIFPB-PWSUYJOCSA-N 2 2 240.351 0.476 20 0 BCADLP CC(C)[C@H]([NH3+])CC[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634996802 345181672 /nfs/dbraw/zinc/18/16/72/345181672.db2.gz VRFUJPNVQJGISA-MOENNCHZSA-N 3 2 211.353 0.701 20 0 BCADLP O=C1[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C[C@H]2CCCCN12 ZINC000634996822 345182593 /nfs/dbraw/zinc/18/25/93/345182593.db2.gz WCGAJJYAJANORN-CBKZZEEASA-N 2 2 249.358 0.481 20 0 BCADLP CC[N@H+](CCOCCO)CC12CC(C1)C[NH2+]2 ZINC000634995031 345183739 /nfs/dbraw/zinc/18/37/39/345183739.db2.gz SLQNBNXBYCYJQK-UHFFFAOYSA-N 2 2 228.336 0.069 20 0 BCADLP CC[N@@H+](CCOCCO)CC12CC(C1)C[NH2+]2 ZINC000634995031 345183741 /nfs/dbraw/zinc/18/37/41/345183741.db2.gz SLQNBNXBYCYJQK-UHFFFAOYSA-N 2 2 228.336 0.069 20 0 BCADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCNC(=O)CC1 ZINC000634958472 345132549 /nfs/dbraw/zinc/13/25/49/345132549.db2.gz RBVWFLDBYXGVNB-LLVKDONJSA-N 2 2 227.352 0.585 20 0 BCADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCNC(=O)CC1 ZINC000634958472 345132550 /nfs/dbraw/zinc/13/25/50/345132550.db2.gz RBVWFLDBYXGVNB-LLVKDONJSA-N 2 2 227.352 0.585 20 0 BCADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000634966487 345139277 /nfs/dbraw/zinc/13/92/77/345139277.db2.gz OCORQYVDFBFMAH-NWDGAFQWSA-N 2 2 239.363 0.587 20 0 BCADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000634966487 345139282 /nfs/dbraw/zinc/13/92/82/345139282.db2.gz OCORQYVDFBFMAH-NWDGAFQWSA-N 2 2 239.363 0.587 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635059636 345232729 /nfs/dbraw/zinc/23/27/29/345232729.db2.gz WZASCZUWIGSTEB-GHMZBOCLSA-N 2 2 248.330 0.677 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635059636 345232732 /nfs/dbraw/zinc/23/27/32/345232732.db2.gz WZASCZUWIGSTEB-GHMZBOCLSA-N 2 2 248.330 0.677 20 0 BCADLP Cn1cc[nH+]c1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635002035 345203674 /nfs/dbraw/zinc/20/36/74/345203674.db2.gz HNYRQXGSYVCBPD-AOOOYVTPSA-N 2 2 206.293 0.356 20 0 BCADLP COc1cc[nH+]cc1CNC(=O)Cn1cc[nH+]c1 ZINC000562051802 345276704 /nfs/dbraw/zinc/27/67/04/345276704.db2.gz OWOYQPLLANDRFU-UHFFFAOYSA-N 2 2 246.270 0.603 20 0 BCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH+](C)C ZINC000635255231 345288958 /nfs/dbraw/zinc/28/89/58/345288958.db2.gz NTVTUQHLSONNSE-OPRDCNLKSA-N 2 2 236.319 0.580 20 0 BCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH+](C)C ZINC000635255231 345288960 /nfs/dbraw/zinc/28/89/60/345288960.db2.gz NTVTUQHLSONNSE-OPRDCNLKSA-N 2 2 236.319 0.580 20 0 BCADLP C[NH+](C)CC1(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000635281349 345293948 /nfs/dbraw/zinc/29/39/48/345293948.db2.gz OSQALWYVYCRZNZ-UHFFFAOYSA-N 2 2 236.319 0.341 20 0 BCADLP C[N@@H+]1CC[C@H](CC(=O)NCCn2cc[nH+]c2)C1 ZINC000635282055 345293952 /nfs/dbraw/zinc/29/39/52/345293952.db2.gz TYSUDDUGWOMSSX-LLVKDONJSA-N 2 2 236.319 0.341 20 0 BCADLP C[N@H+]1CC[C@H](CC(=O)NCCn2cc[nH+]c2)C1 ZINC000635282055 345293954 /nfs/dbraw/zinc/29/39/54/345293954.db2.gz TYSUDDUGWOMSSX-LLVKDONJSA-N 2 2 236.319 0.341 20 0 BCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCc1[nH]cc[nH+]1 ZINC000158548066 345344791 /nfs/dbraw/zinc/34/47/91/345344791.db2.gz HWQRFCVMWCHVQO-WCBMZHEXSA-N 2 2 224.308 0.442 20 0 BCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCc1[nH]cc[nH+]1 ZINC000158547629 345344962 /nfs/dbraw/zinc/34/49/62/345344962.db2.gz HWQRFCVMWCHVQO-SCZZXKLOSA-N 2 2 224.308 0.442 20 0 BCADLP C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000635421616 345361488 /nfs/dbraw/zinc/36/14/88/345361488.db2.gz OUOQKHGPJMRCFO-GHMZBOCLSA-N 2 2 248.330 0.724 20 0 BCADLP C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000635421616 345361489 /nfs/dbraw/zinc/36/14/89/345361489.db2.gz OUOQKHGPJMRCFO-GHMZBOCLSA-N 2 2 248.330 0.724 20 0 BCADLP C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000635421616 345361491 /nfs/dbraw/zinc/36/14/91/345361491.db2.gz OUOQKHGPJMRCFO-GHMZBOCLSA-N 2 2 248.330 0.724 20 0 BCADLP C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000635421616 345361493 /nfs/dbraw/zinc/36/14/93/345361493.db2.gz OUOQKHGPJMRCFO-GHMZBOCLSA-N 2 2 248.330 0.724 20 0 BCADLP CC(C)COCC[N@@H+]1CCC[NH2+]CC1 ZINC000158939692 345390242 /nfs/dbraw/zinc/39/02/42/345390242.db2.gz HZIQYGHBHWUYNA-UHFFFAOYSA-N 2 2 200.326 0.954 20 0 BCADLP CC(C)COCC[N@H+]1CCC[NH2+]CC1 ZINC000158939692 345390244 /nfs/dbraw/zinc/39/02/44/345390244.db2.gz HZIQYGHBHWUYNA-UHFFFAOYSA-N 2 2 200.326 0.954 20 0 BCADLP Cn1cc[nH+]c1N1CC[NH+](CCCF)CC1 ZINC000089926637 345566442 /nfs/dbraw/zinc/56/64/42/345566442.db2.gz CJUUKXBHXFDXBV-UHFFFAOYSA-N 2 2 226.299 0.902 20 0 BCADLP C[N@@H+]1CC[C@H](CC(=O)NCc2[nH]cc[nH+]2)C1 ZINC000635551155 345625514 /nfs/dbraw/zinc/62/55/14/345625514.db2.gz LRNWWUATRNIVCT-SECBINFHSA-N 2 2 222.292 0.368 20 0 BCADLP C[N@H+]1CC[C@H](CC(=O)NCc2[nH]cc[nH+]2)C1 ZINC000635551155 345625517 /nfs/dbraw/zinc/62/55/17/345625517.db2.gz LRNWWUATRNIVCT-SECBINFHSA-N 2 2 222.292 0.368 20 0 BCADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccncc2N)C1 ZINC000641709655 362618786 /nfs/dbraw/zinc/61/87/86/362618786.db2.gz OYJOGMUEOIAKTI-LLVKDONJSA-N 2 2 220.320 0.848 20 0 BCADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccncc2N)C1 ZINC000641709655 362618790 /nfs/dbraw/zinc/61/87/90/362618790.db2.gz OYJOGMUEOIAKTI-LLVKDONJSA-N 2 2 220.320 0.848 20 0 BCADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccncc2N)C1 ZINC000641709656 362618857 /nfs/dbraw/zinc/61/88/57/362618857.db2.gz OYJOGMUEOIAKTI-NSHDSACASA-N 2 2 220.320 0.848 20 0 BCADLP C[N@H+]1CCC[C@H]([NH2+]Cc2ccncc2N)C1 ZINC000641709656 362618862 /nfs/dbraw/zinc/61/88/62/362618862.db2.gz OYJOGMUEOIAKTI-NSHDSACASA-N 2 2 220.320 0.848 20 0 BCADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccncc1N ZINC000641710098 362626330 /nfs/dbraw/zinc/62/63/30/362626330.db2.gz MWJPSWUFXYLINT-NSHDSACASA-N 2 2 220.320 0.848 20 0 BCADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccncc1N ZINC000641710098 362626334 /nfs/dbraw/zinc/62/63/34/362626334.db2.gz MWJPSWUFXYLINT-NSHDSACASA-N 2 2 220.320 0.848 20 0 BCADLP O[C@H]1CC[N@H+](CCNc2cc[nH+]cc2F)C1 ZINC000641680451 362602353 /nfs/dbraw/zinc/60/23/53/362602353.db2.gz QIZXZJVSNMPJLT-VIFPVBQESA-N 2 2 225.267 0.121 20 0 BCADLP O[C@H]1CC[N@@H+](CCNc2cc[nH+]cc2F)C1 ZINC000641680451 362602357 /nfs/dbraw/zinc/60/23/57/362602357.db2.gz QIZXZJVSNMPJLT-VIFPVBQESA-N 2 2 225.267 0.121 20 0 BCADLP CCS(=O)(=O)C[C@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000563135024 323094589 /nfs/dbraw/zinc/09/45/89/323094589.db2.gz BTEGPBNVMUNEDC-QMMMGPOBSA-N 2 2 222.354 0.137 20 0 BCADLP CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000144642652 345709508 /nfs/dbraw/zinc/70/95/08/345709508.db2.gz LTASAIPIGUCYJH-CYBMUJFWSA-N 2 2 239.363 0.633 20 0 BCADLP CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000144642652 345709511 /nfs/dbraw/zinc/70/95/11/345709511.db2.gz LTASAIPIGUCYJH-CYBMUJFWSA-N 2 2 239.363 0.633 20 0 BCADLP C[NH2+]C1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000147536296 345711052 /nfs/dbraw/zinc/71/10/52/345711052.db2.gz JHYXHJZRDGZNFH-UHFFFAOYSA-N 2 2 247.342 0.969 20 0 BCADLP C[C@H](C(=O)N1CC[NH+](C2CCC2)CC1)[NH+](C)C ZINC000635562953 345773605 /nfs/dbraw/zinc/77/36/05/345773605.db2.gz SAPNOAQWBICRAI-LLVKDONJSA-N 2 2 239.363 0.633 20 0 BCADLP CCCNC(=O)C1([NH2+]CC[NH3+])CCCCC1 ZINC000262910243 535008448 /nfs/dbraw/zinc/00/84/48/535008448.db2.gz FNFYFVSMPMRQKP-UHFFFAOYSA-N 2 2 227.352 0.764 20 0 BCADLP C[NH+](C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635743518 346055154 /nfs/dbraw/zinc/05/51/54/346055154.db2.gz ICKFVGPKXVDKOO-NXEZZACHSA-N 2 2 234.303 0.286 20 0 BCADLP C[C@H](NC(=O)[C@@H]([NH3+])C1CCC1)c1[nH+]ccn1C ZINC000662935711 537934771 /nfs/dbraw/zinc/93/47/71/537934771.db2.gz YAQSGQVGRHQWNK-WPRPVWTQSA-N 2 2 236.319 0.725 20 0 BCADLP C[C@@H](NC(=O)[C@@H]([NH3+])C1CCC1)c1[nH+]ccn1C ZINC000662935709 537935190 /nfs/dbraw/zinc/93/51/90/537935190.db2.gz YAQSGQVGRHQWNK-SCZZXKLOSA-N 2 2 236.319 0.725 20 0 BCADLP CC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+](C)C)[C@H](C)C1 ZINC000635918071 346108937 /nfs/dbraw/zinc/10/89/37/346108937.db2.gz GVYTUKGGGSAXQJ-GHMZBOCLSA-N 2 2 227.352 0.489 20 0 BCADLP CC[N@H+]1CCN(C(=O)[C@@H](C)[NH+](C)C)[C@H](C)C1 ZINC000635918071 346108939 /nfs/dbraw/zinc/10/89/39/346108939.db2.gz GVYTUKGGGSAXQJ-GHMZBOCLSA-N 2 2 227.352 0.489 20 0 BCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000635945568 346118654 /nfs/dbraw/zinc/11/86/54/346118654.db2.gz SXSFXTIKUGRZBS-LBPRGKRZSA-N 2 2 248.330 0.710 20 0 BCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000635945568 346118655 /nfs/dbraw/zinc/11/86/55/346118655.db2.gz SXSFXTIKUGRZBS-LBPRGKRZSA-N 2 2 248.330 0.710 20 0 BCADLP C[C@H](C(=O)N(C)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC000636167294 346342757 /nfs/dbraw/zinc/34/27/57/346342757.db2.gz FXKOZXHEOLWISU-MRVPVSSYSA-N 2 2 210.281 0.318 20 0 BCADLP C[C@H]1C[N@H+](CCc2c[nH+]cn2C)CC[C@H]1[NH3+] ZINC000641795864 362736567 /nfs/dbraw/zinc/73/65/67/362736567.db2.gz APDPFBASMYPSBI-CMPLNLGQSA-N 3 2 222.336 0.632 20 0 BCADLP C[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CC[C@H]1[NH3+] ZINC000641795864 362736572 /nfs/dbraw/zinc/73/65/72/362736572.db2.gz APDPFBASMYPSBI-CMPLNLGQSA-N 3 2 222.336 0.632 20 0 BCADLP Cn1c[nH+]cc1CC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000641799722 362748354 /nfs/dbraw/zinc/74/83/54/362748354.db2.gz QBFVZKMBBGYYIC-NSHDSACASA-N 3 2 224.352 0.926 20 0 BCADLP Cn1cncc1CC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000641799722 362748361 /nfs/dbraw/zinc/74/83/61/362748361.db2.gz QBFVZKMBBGYYIC-NSHDSACASA-N 2 2 224.352 0.926 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(OC)no2)C1 ZINC000641796737 362739929 /nfs/dbraw/zinc/73/99/29/362739929.db2.gz INQRMBRKFFMRTL-SECBINFHSA-N 2 2 225.292 0.725 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC000641796737 362739932 /nfs/dbraw/zinc/73/99/32/362739932.db2.gz INQRMBRKFFMRTL-SECBINFHSA-N 2 2 225.292 0.725 20 0 BCADLP CCCc1nc(C)c(C[N@H+](C)C[C@H](O)C[NH3+])o1 ZINC000641800355 362751284 /nfs/dbraw/zinc/75/12/84/362751284.db2.gz WWNICZSKPKJFMB-SNVBAGLBSA-N 2 2 241.335 0.687 20 0 BCADLP CCCc1nc(C)c(C[N@@H+](C)C[C@H](O)C[NH3+])o1 ZINC000641800355 362751288 /nfs/dbraw/zinc/75/12/88/362751288.db2.gz WWNICZSKPKJFMB-SNVBAGLBSA-N 2 2 241.335 0.687 20 0 BCADLP CCCc1nc(C)c(C[N@H+](C)C[C@@H](O)C[NH3+])o1 ZINC000641800353 362752155 /nfs/dbraw/zinc/75/21/55/362752155.db2.gz WWNICZSKPKJFMB-JTQLQIEISA-N 2 2 241.335 0.687 20 0 BCADLP CCCc1nc(C)c(C[N@@H+](C)C[C@@H](O)C[NH3+])o1 ZINC000641800353 362752159 /nfs/dbraw/zinc/75/21/59/362752159.db2.gz WWNICZSKPKJFMB-JTQLQIEISA-N 2 2 241.335 0.687 20 0 BCADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@H]1[NH3+] ZINC000641800549 362752196 /nfs/dbraw/zinc/75/21/96/362752196.db2.gz ZDMFWAJUWBWLMU-MWLCHTKSSA-N 3 2 208.309 0.242 20 0 BCADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@H]1[NH3+] ZINC000641800549 362752199 /nfs/dbraw/zinc/75/21/99/362752199.db2.gz ZDMFWAJUWBWLMU-MWLCHTKSSA-N 3 2 208.309 0.242 20 0 BCADLP COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000603434941 349968135 /nfs/dbraw/zinc/96/81/35/349968135.db2.gz VDYDOGPAKSBQPB-DCAQKATOSA-N 2 2 244.310 0.571 20 0 BCADLP COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000603434941 349968137 /nfs/dbraw/zinc/96/81/37/349968137.db2.gz VDYDOGPAKSBQPB-DCAQKATOSA-N 2 2 244.310 0.571 20 0 BCADLP C[C@H]1C[C@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)CO1 ZINC000402161061 349972660 /nfs/dbraw/zinc/97/26/60/349972660.db2.gz QRJVEQNSPFLOPY-UWVGGRQHSA-N 2 2 238.335 0.753 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C(C)(C)C1 ZINC000387825327 347100679 /nfs/dbraw/zinc/10/06/79/347100679.db2.gz XECBUIHELZQWFB-MNOVXSKESA-N 2 2 230.352 0.002 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C(C)(C)C1 ZINC000387825327 347100680 /nfs/dbraw/zinc/10/06/80/347100680.db2.gz XECBUIHELZQWFB-MNOVXSKESA-N 2 2 230.352 0.002 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000387825327 347100681 /nfs/dbraw/zinc/10/06/81/347100681.db2.gz XECBUIHELZQWFB-MNOVXSKESA-N 2 2 230.352 0.002 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000387825327 347100682 /nfs/dbraw/zinc/10/06/82/347100682.db2.gz XECBUIHELZQWFB-MNOVXSKESA-N 2 2 230.352 0.002 20 0 BCADLP C[N@H+]1CCN(C(=O)CCC(C)(C)C)[C@H](C[NH3+])C1 ZINC000162695898 346535026 /nfs/dbraw/zinc/53/50/26/346535026.db2.gz QEWKCOFUANGPSA-LLVKDONJSA-N 2 2 241.379 0.914 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1c[nH+]cn1C ZINC000641818002 362769419 /nfs/dbraw/zinc/76/94/19/362769419.db2.gz BMONLBGMFNDHLT-MNOVXSKESA-N 3 2 222.336 0.774 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1c[nH+]cn1C ZINC000641818002 362769423 /nfs/dbraw/zinc/76/94/23/362769423.db2.gz BMONLBGMFNDHLT-MNOVXSKESA-N 3 2 222.336 0.774 20 0 BCADLP C1=C(C[NH2+]CCC[NH+]2CCOCC2)COCC1 ZINC000176823350 346553195 /nfs/dbraw/zinc/55/31/95/346553195.db2.gz OOMRCESPERZPSB-UHFFFAOYSA-N 2 2 240.347 0.645 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)CC[C@H](C)[NH3+] ZINC000380201255 346670744 /nfs/dbraw/zinc/67/07/44/346670744.db2.gz CTLOFMZKLNDLMU-ZETCQYMHSA-N 2 2 210.281 0.462 20 0 BCADLP [NH3+]CC1(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622004034 370652726 /nfs/dbraw/zinc/65/27/26/370652726.db2.gz JFKHMEHWMROVTO-PWSUYJOCSA-N 3 2 209.337 0.539 20 0 BCADLP [NH3+]CC1(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622004034 370652730 /nfs/dbraw/zinc/65/27/30/370652730.db2.gz JFKHMEHWMROVTO-PWSUYJOCSA-N 3 2 209.337 0.539 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000641824586 362774313 /nfs/dbraw/zinc/77/43/13/362774313.db2.gz UQJVPPSMWFPUAM-WCQYABFASA-N 3 2 234.347 0.776 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000641824586 362774315 /nfs/dbraw/zinc/77/43/15/362774315.db2.gz UQJVPPSMWFPUAM-WCQYABFASA-N 3 2 234.347 0.776 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000571298660 323140794 /nfs/dbraw/zinc/14/07/94/323140794.db2.gz XEXMKHRTJCGOGP-QCNOEVLYSA-N 3 2 211.353 0.986 20 0 BCADLP C[NH2+]C[C@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000380215892 347260222 /nfs/dbraw/zinc/26/02/22/347260222.db2.gz JWHIEICVTBQIEG-ZETCQYMHSA-N 2 2 210.281 0.190 20 0 BCADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000250611032 362812319 /nfs/dbraw/zinc/81/23/19/362812319.db2.gz MQYJCJHAUZGVAV-QWRGUYRKSA-N 2 2 225.336 0.339 20 0 BCADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000250611032 362812327 /nfs/dbraw/zinc/81/23/27/362812327.db2.gz MQYJCJHAUZGVAV-QWRGUYRKSA-N 2 2 225.336 0.339 20 0 BCADLP CO[C@@H]1CCN(Cc2c[nH+]cn2C)[C@H](C[NH3+])C1 ZINC000252765806 347416157 /nfs/dbraw/zinc/41/61/57/347416157.db2.gz GTRHJYZXNMXTJR-CMPLNLGQSA-N 2 2 238.335 0.358 20 0 BCADLP O=C1CC[C@H]([NH2+]CC[NH+]2CCCC2)CCN1 ZINC000396637082 362826719 /nfs/dbraw/zinc/82/67/19/362826719.db2.gz FVPGYZAPIVZUAZ-NSHDSACASA-N 2 2 225.336 0.341 20 0 BCADLP C[C@@H]1[C@H](C(=O)N(C)Cc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000616921666 347451640 /nfs/dbraw/zinc/45/16/40/347451640.db2.gz YUWGEHZZEBULAQ-MWLCHTKSSA-N 2 2 236.319 0.708 20 0 BCADLP C[C@@H]1[C@H](C(=O)N(C)Cc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000616921666 347451644 /nfs/dbraw/zinc/45/16/44/347451644.db2.gz YUWGEHZZEBULAQ-MWLCHTKSSA-N 2 2 236.319 0.708 20 0 BCADLP C[C@@H]1[C@H](C(=O)N(C)Cc2c[nH]c[nH+]2)CC[N@@H+]1C ZINC000616921666 347451647 /nfs/dbraw/zinc/45/16/47/347451647.db2.gz YUWGEHZZEBULAQ-MWLCHTKSSA-N 2 2 236.319 0.708 20 0 BCADLP C[C@@H]1[C@H](C(=O)N(C)Cc2c[nH]c[nH+]2)CC[N@H+]1C ZINC000616921666 347451649 /nfs/dbraw/zinc/45/16/49/347451649.db2.gz YUWGEHZZEBULAQ-MWLCHTKSSA-N 2 2 236.319 0.708 20 0 BCADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000396753675 362832410 /nfs/dbraw/zinc/83/24/10/362832410.db2.gz YGVVIFDEGWYCJB-GHMZBOCLSA-N 2 2 225.336 0.339 20 0 BCADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000396753675 362832416 /nfs/dbraw/zinc/83/24/16/362832416.db2.gz YGVVIFDEGWYCJB-GHMZBOCLSA-N 2 2 225.336 0.339 20 0 BCADLP Cc1cccc2[nH+]c(CNC(=O)C(C)(C)[NH3+])cn21 ZINC000083909218 179229017 /nfs/dbraw/zinc/22/90/17/179229017.db2.gz ZRQWFXCXJNBOGG-UHFFFAOYSA-N 2 2 246.314 0.996 20 0 BCADLP Cc1cccc2[nH+]c(CNC(=O)C3([NH3+])CC3)cn21 ZINC000237766608 179229065 /nfs/dbraw/zinc/22/90/65/179229065.db2.gz QPPYBMUGSSWOHT-UHFFFAOYSA-N 2 2 244.298 0.750 20 0 BCADLP Cc1cccc2[nH+]c(CNC(=O)[C@@H](C)C[NH3+])cn21 ZINC000285728816 179229356 /nfs/dbraw/zinc/22/93/56/179229356.db2.gz GGYDTTFCAVCBCC-VIFPVBQESA-N 2 2 246.314 0.854 20 0 BCADLP Cc1cccc2[nH+]c(CNC(=O)C[NH+](C)C)cn21 ZINC000109702394 179229364 /nfs/dbraw/zinc/22/93/64/179229364.db2.gz VSHMKZCXDMJIKH-UHFFFAOYSA-N 2 2 246.314 0.821 20 0 BCADLP CC[N@H+](CC(=O)N(C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000616926424 347458708 /nfs/dbraw/zinc/45/87/08/347458708.db2.gz BNDNUFIYFQKJOV-UHFFFAOYSA-N 2 2 236.319 0.852 20 0 BCADLP CC[N@@H+](CC(=O)N(C)Cc1c[nH+]c[nH]1)C1CC1 ZINC000616926424 347458711 /nfs/dbraw/zinc/45/87/11/347458711.db2.gz BNDNUFIYFQKJOV-UHFFFAOYSA-N 2 2 236.319 0.852 20 0 BCADLP CC[N@H+](CC(=O)N(C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000616926424 347458714 /nfs/dbraw/zinc/45/87/14/347458714.db2.gz BNDNUFIYFQKJOV-UHFFFAOYSA-N 2 2 236.319 0.852 20 0 BCADLP CC[N@@H+](CC(=O)N(C)Cc1c[nH]c[nH+]1)C1CC1 ZINC000616926424 347458717 /nfs/dbraw/zinc/45/87/17/347458717.db2.gz BNDNUFIYFQKJOV-UHFFFAOYSA-N 2 2 236.319 0.852 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000616925839 347458826 /nfs/dbraw/zinc/45/88/26/347458826.db2.gz RXVKLTAGLAIXHV-NSHDSACASA-N 2 2 236.319 0.852 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000616925839 347458827 /nfs/dbraw/zinc/45/88/27/347458827.db2.gz RXVKLTAGLAIXHV-NSHDSACASA-N 2 2 236.319 0.852 20 0 BCADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000392643645 347605781 /nfs/dbraw/zinc/60/57/81/347605781.db2.gz BQASWWGRAPBHPE-NSHDSACASA-N 2 2 221.304 0.971 20 0 BCADLP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000392643645 347605784 /nfs/dbraw/zinc/60/57/84/347605784.db2.gz BQASWWGRAPBHPE-NSHDSACASA-N 2 2 221.304 0.971 20 0 BCADLP C[N@@H+]1CCO[C@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000082431890 347591903 /nfs/dbraw/zinc/59/19/03/347591903.db2.gz DBVGWLOFGBIVNE-SECBINFHSA-N 2 2 228.340 0.229 20 0 BCADLP C[N@H+]1CCO[C@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000082431890 347591906 /nfs/dbraw/zinc/59/19/06/347591906.db2.gz DBVGWLOFGBIVNE-SECBINFHSA-N 2 2 228.340 0.229 20 0 BCADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[NH+](C)C ZINC000591128650 347623073 /nfs/dbraw/zinc/62/30/73/347623073.db2.gz GYTDTAHTVWSISW-NSHDSACASA-N 2 2 238.335 0.730 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591869406 347704451 /nfs/dbraw/zinc/70/44/51/347704451.db2.gz UIXXOSJEEHGZSZ-GHMZBOCLSA-N 2 2 236.319 0.784 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591869406 347704453 /nfs/dbraw/zinc/70/44/53/347704453.db2.gz UIXXOSJEEHGZSZ-GHMZBOCLSA-N 2 2 236.319 0.784 20 0 BCADLP c1cn([C@@H]2CCC[N@@H+](CCn3cncn3)C2)c[nH+]1 ZINC000591869444 347704567 /nfs/dbraw/zinc/70/45/67/347704567.db2.gz WTRPIZPKLVRYMX-GFCCVEGCSA-N 2 2 246.318 0.812 20 0 BCADLP c1cn([C@@H]2CCC[N@H+](CCn3cncn3)C2)c[nH+]1 ZINC000591869444 347704568 /nfs/dbraw/zinc/70/45/68/347704568.db2.gz WTRPIZPKLVRYMX-GFCCVEGCSA-N 2 2 246.318 0.812 20 0 BCADLP CC[C@@H]1C[N@H+](C)CCN1Cc1[nH+]ccn1C ZINC000591873804 347705015 /nfs/dbraw/zinc/70/50/15/347705015.db2.gz ZGRXJHSBPNPYGG-LLVKDONJSA-N 2 2 222.336 0.946 20 0 BCADLP CC[C@@H]1C[N@@H+](C)CCN1Cc1[nH+]ccn1C ZINC000591873804 347705019 /nfs/dbraw/zinc/70/50/19/347705019.db2.gz ZGRXJHSBPNPYGG-LLVKDONJSA-N 2 2 222.336 0.946 20 0 BCADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N1CCC1 ZINC000591867344 347707299 /nfs/dbraw/zinc/70/72/99/347707299.db2.gz PBBXPNQNADZLGX-GFCCVEGCSA-N 2 2 248.330 0.752 20 0 BCADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N1CCC1 ZINC000591867344 347707301 /nfs/dbraw/zinc/70/73/01/347707301.db2.gz PBBXPNQNADZLGX-GFCCVEGCSA-N 2 2 248.330 0.752 20 0 BCADLP CNC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591915740 347716446 /nfs/dbraw/zinc/71/64/46/347716446.db2.gz KNHJASLOWQUAPG-SNVBAGLBSA-N 2 2 222.292 0.266 20 0 BCADLP CNC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591915740 347716447 /nfs/dbraw/zinc/71/64/47/347716447.db2.gz KNHJASLOWQUAPG-SNVBAGLBSA-N 2 2 222.292 0.266 20 0 BCADLP CNC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591915739 347716492 /nfs/dbraw/zinc/71/64/92/347716492.db2.gz KNHJASLOWQUAPG-JTQLQIEISA-N 2 2 222.292 0.266 20 0 BCADLP CNC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591915739 347716495 /nfs/dbraw/zinc/71/64/95/347716495.db2.gz KNHJASLOWQUAPG-JTQLQIEISA-N 2 2 222.292 0.266 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N[C@@H](C)CC[NH3+] ZINC000493400137 347791407 /nfs/dbraw/zinc/79/14/07/347791407.db2.gz IVXVEFCUCUTRAS-YEZKRMTDSA-N 2 2 236.319 0.770 20 0 BCADLP C[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000577382461 365940394 /nfs/dbraw/zinc/94/03/94/365940394.db2.gz KFWKVOLDNXSHMK-GHMZBOCLSA-N 2 2 236.319 0.655 20 0 BCADLP CSC[C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593909994 347969540 /nfs/dbraw/zinc/96/95/40/347969540.db2.gz PPEJUTVFNXSICT-IUCAKERBSA-N 2 2 233.381 0.133 20 0 BCADLP Cc1cccn2cc(CNC(=O)[C@H]3CC[NH2+]3)[nH+]c12 ZINC000336542160 179357436 /nfs/dbraw/zinc/35/74/36/179357436.db2.gz QWPLJEKEISTUIO-LLVKDONJSA-N 2 2 244.298 0.621 20 0 BCADLP C[C@H](C[S@@](C)=O)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000594943141 348144434 /nfs/dbraw/zinc/14/44/34/348144434.db2.gz NOWQGMXZLXKHTC-JDNHERCYSA-N 2 2 241.360 0.686 20 0 BCADLP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000594951193 348147956 /nfs/dbraw/zinc/14/79/56/348147956.db2.gz SVTFTEHUQNGKDF-GARJFASQSA-N 2 2 240.347 0.868 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000595154335 348201450 /nfs/dbraw/zinc/20/14/50/348201450.db2.gz TWZMXBPLHVJVEU-NWDGAFQWSA-N 2 2 249.362 0.609 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000595154335 348201454 /nfs/dbraw/zinc/20/14/54/348201454.db2.gz TWZMXBPLHVJVEU-NWDGAFQWSA-N 2 2 249.362 0.609 20 0 BCADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)N(C)C)CC1 ZINC000035139926 358453881 /nfs/dbraw/zinc/45/38/81/358453881.db2.gz VPQULPDYTRJGBK-SNVBAGLBSA-N 2 2 227.352 0.537 20 0 BCADLP COC(=O)CCC[N@@H+]1CCC[NH2+]CC1 ZINC000037286285 348310406 /nfs/dbraw/zinc/31/04/06/348310406.db2.gz VJDFZMSDOXPCEV-UHFFFAOYSA-N 2 2 200.282 0.235 20 0 BCADLP COC(=O)CCC[N@H+]1CCC[NH2+]CC1 ZINC000037286285 348310408 /nfs/dbraw/zinc/31/04/08/348310408.db2.gz VJDFZMSDOXPCEV-UHFFFAOYSA-N 2 2 200.282 0.235 20 0 BCADLP COC(=O)C12CC(C1)C[N@@H+]2CCc1c[nH+]cn1C ZINC000595680734 348312286 /nfs/dbraw/zinc/31/22/86/348312286.db2.gz TVAYLHGEFJMCHE-UHFFFAOYSA-N 2 2 249.314 0.600 20 0 BCADLP COC(=O)C12CC(C1)C[N@H+]2CCc1c[nH+]cn1C ZINC000595680734 348312287 /nfs/dbraw/zinc/31/22/87/348312287.db2.gz TVAYLHGEFJMCHE-UHFFFAOYSA-N 2 2 249.314 0.600 20 0 BCADLP CC(C)[C@H](C[NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000044799995 187395142 /nfs/dbraw/zinc/39/51/42/187395142.db2.gz ZAFSKTMDCSHZTC-NSHDSACASA-N 2 2 238.335 0.620 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]Cc1ccnc(C)c1 ZINC000623494429 362918894 /nfs/dbraw/zinc/91/88/94/362918894.db2.gz PNFPXBUHLGAHMW-UHFFFAOYSA-N 2 2 237.347 0.794 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccnc(C)c1 ZINC000623494429 362918897 /nfs/dbraw/zinc/91/88/97/362918897.db2.gz PNFPXBUHLGAHMW-UHFFFAOYSA-N 2 2 237.347 0.794 20 0 BCADLP COC(=O)C[C@H]1CCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000595892111 348390949 /nfs/dbraw/zinc/39/09/49/348390949.db2.gz KSNRKQLWVUGBAR-GHMZBOCLSA-N 2 2 242.319 0.002 20 0 BCADLP COC[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000053389523 348393693 /nfs/dbraw/zinc/39/36/93/348393693.db2.gz RSXYPMZQFCFUPV-QWRGUYRKSA-N 2 2 200.326 0.953 20 0 BCADLP COC[C@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000053389523 348393697 /nfs/dbraw/zinc/39/36/97/348393697.db2.gz RSXYPMZQFCFUPV-QWRGUYRKSA-N 2 2 200.326 0.953 20 0 BCADLP COC(=O)C12CC(C1)C[N@@H+]2C[C@H]1CC[NH2+]C1 ZINC000595901899 348394421 /nfs/dbraw/zinc/39/44/21/348394421.db2.gz CIKTYYMZCNCAPV-BMQDGWLCSA-N 2 2 224.304 0.233 20 0 BCADLP COC(=O)C12CC(C1)C[N@H+]2C[C@H]1CC[NH2+]C1 ZINC000595901899 348394425 /nfs/dbraw/zinc/39/44/25/348394425.db2.gz CIKTYYMZCNCAPV-BMQDGWLCSA-N 2 2 224.304 0.233 20 0 BCADLP Cc1cccn2c(C[NH2+][C@H](CO)[C@@H](C)O)c[nH+]c12 ZINC000419799047 192144686 /nfs/dbraw/zinc/14/46/86/192144686.db2.gz ZFSDFZQGVACJDC-ZYHUDNBSSA-N 2 2 249.314 0.474 20 0 BCADLP COC(=O)[C@H]1C[C@H]([NH2+]Cc2c[nH+]c(C)n2C)C1 ZINC000597242514 348686763 /nfs/dbraw/zinc/68/67/63/348686763.db2.gz AJRAKSQZAQQBHL-MGCOHNPYSA-N 2 2 237.303 0.770 20 0 BCADLP c1cn(CC[NH2+]CC[C@@H]2CCOC2)c[nH+]1 ZINC000308817665 348710467 /nfs/dbraw/zinc/71/04/67/348710467.db2.gz FPZQYGWEIVUQCZ-LLVKDONJSA-N 2 2 209.293 0.899 20 0 BCADLP c1cn(CC[NH2+]CC[C@H]2CCOC2)c[nH+]1 ZINC000308817668 348710522 /nfs/dbraw/zinc/71/05/22/348710522.db2.gz FPZQYGWEIVUQCZ-NSHDSACASA-N 2 2 209.293 0.899 20 0 BCADLP Cc1cnccc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000228668578 179702865 /nfs/dbraw/zinc/70/28/65/179702865.db2.gz GRWGKQVDJMVTKR-AWEZNQCLSA-N 2 2 249.358 0.936 20 0 BCADLP COC[C@@](C)([NH3+])CNc1cc(C)[nH+]cn1 ZINC000308861739 348909465 /nfs/dbraw/zinc/90/94/65/348909465.db2.gz VNTBYXXHTHZHHT-JTQLQIEISA-N 2 2 210.281 0.561 20 0 BCADLP C[N@H+](C[C@@H]1CCCOC1)C[C@@H]1C[NH2+]CCO1 ZINC000070650514 490230336 /nfs/dbraw/zinc/23/03/36/490230336.db2.gz QKFYWLJQYRMAOW-RYUDHWBXSA-N 2 2 228.336 0.333 20 0 BCADLP C[N@@H+](C[C@@H]1CCCOC1)C[C@@H]1C[NH2+]CCO1 ZINC000070650514 490230341 /nfs/dbraw/zinc/23/03/41/490230341.db2.gz QKFYWLJQYRMAOW-RYUDHWBXSA-N 2 2 228.336 0.333 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000251841640 349192641 /nfs/dbraw/zinc/19/26/41/349192641.db2.gz LMMMNFOYMLJAEN-HBNTYKKESA-N 2 2 227.352 0.713 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000251841640 349192642 /nfs/dbraw/zinc/19/26/42/349192642.db2.gz LMMMNFOYMLJAEN-HBNTYKKESA-N 2 2 227.352 0.713 20 0 BCADLP Cn1cnnc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252866255 349219898 /nfs/dbraw/zinc/21/98/98/349219898.db2.gz QFXOAJRORSZRKZ-DCAQKATOSA-N 2 2 235.335 0.374 20 0 BCADLP Cn1cnnc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252866255 349219902 /nfs/dbraw/zinc/21/99/02/349219902.db2.gz QFXOAJRORSZRKZ-DCAQKATOSA-N 2 2 235.335 0.374 20 0 BCADLP CC[C@H](C)CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000253269024 349230175 /nfs/dbraw/zinc/23/01/75/349230175.db2.gz ZHGQFIOBXCTBOI-WDEREUQCSA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@H](C)CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000253269024 349230180 /nfs/dbraw/zinc/23/01/80/349230180.db2.gz ZHGQFIOBXCTBOI-WDEREUQCSA-N 2 2 227.352 0.524 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309005879 349288140 /nfs/dbraw/zinc/28/81/40/349288140.db2.gz NBLALNCXZVEGQL-AEJSXWLSSA-N 2 2 212.293 0.089 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309005879 349288141 /nfs/dbraw/zinc/28/81/41/349288141.db2.gz NBLALNCXZVEGQL-AEJSXWLSSA-N 2 2 212.293 0.089 20 0 BCADLP NC(=[NH2+])NCC[NH+]1Cc2ccccc2C1 ZINC000394689340 349271476 /nfs/dbraw/zinc/27/14/76/349271476.db2.gz LVLVCSXWQVWBER-UHFFFAOYSA-N 2 2 204.277 0.485 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCSC[C@H]1C ZINC000309013558 349303732 /nfs/dbraw/zinc/30/37/32/349303732.db2.gz QAQCXFBPKHJZCJ-MNOVXSKESA-N 2 2 232.393 0.736 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCSC[C@H]1C ZINC000309013558 349303737 /nfs/dbraw/zinc/30/37/37/349303737.db2.gz QAQCXFBPKHJZCJ-MNOVXSKESA-N 2 2 232.393 0.736 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCSC[C@H]1C ZINC000309013558 349303739 /nfs/dbraw/zinc/30/37/39/349303739.db2.gz QAQCXFBPKHJZCJ-MNOVXSKESA-N 2 2 232.393 0.736 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCSC[C@H]1C ZINC000309013558 349303743 /nfs/dbraw/zinc/30/37/43/349303743.db2.gz QAQCXFBPKHJZCJ-MNOVXSKESA-N 2 2 232.393 0.736 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCSC[C@@H]1C ZINC000309013560 349304272 /nfs/dbraw/zinc/30/42/72/349304272.db2.gz QAQCXFBPKHJZCJ-WDEREUQCSA-N 2 2 232.393 0.736 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCSC[C@@H]1C ZINC000309013560 349304275 /nfs/dbraw/zinc/30/42/75/349304275.db2.gz QAQCXFBPKHJZCJ-WDEREUQCSA-N 2 2 232.393 0.736 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCSC[C@@H]1C ZINC000309013560 349304279 /nfs/dbraw/zinc/30/42/79/349304279.db2.gz QAQCXFBPKHJZCJ-WDEREUQCSA-N 2 2 232.393 0.736 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCSC[C@@H]1C ZINC000309013560 349304281 /nfs/dbraw/zinc/30/42/81/349304281.db2.gz QAQCXFBPKHJZCJ-WDEREUQCSA-N 2 2 232.393 0.736 20 0 BCADLP CCOCC[N@H+](C)C[C@H](O)C[NH+](C)CC ZINC000309028694 349313431 /nfs/dbraw/zinc/31/34/31/349313431.db2.gz ZXGAPEOZWATVPA-LLVKDONJSA-N 2 2 218.341 0.267 20 0 BCADLP CCOCC[N@@H+](C)C[C@H](O)C[NH+](C)CC ZINC000309028694 349313432 /nfs/dbraw/zinc/31/34/32/349313432.db2.gz ZXGAPEOZWATVPA-LLVKDONJSA-N 2 2 218.341 0.267 20 0 BCADLP CCOCC[NH+](C)C[C@H](O)C[N@H+](C)CC ZINC000309028694 349313434 /nfs/dbraw/zinc/31/34/34/349313434.db2.gz ZXGAPEOZWATVPA-LLVKDONJSA-N 2 2 218.341 0.267 20 0 BCADLP CCOCC[NH+](C)C[C@H](O)C[N@@H+](C)CC ZINC000309028694 349313435 /nfs/dbraw/zinc/31/34/35/349313435.db2.gz ZXGAPEOZWATVPA-LLVKDONJSA-N 2 2 218.341 0.267 20 0 BCADLP CCCc1[nH+]ccn1Cc1noc(C[NH3+])n1 ZINC000300907461 349425646 /nfs/dbraw/zinc/42/56/46/349425646.db2.gz OJQQNNYZDLRURE-UHFFFAOYSA-N 2 2 221.264 0.726 20 0 BCADLP CC(C)([NH3+])C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000083935027 191007810 /nfs/dbraw/zinc/00/78/10/191007810.db2.gz HSCPCLXKOPESSI-UHFFFAOYSA-N 2 2 236.319 0.573 20 0 BCADLP CC[C@@H](C)NC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000021958813 350065326 /nfs/dbraw/zinc/06/53/26/350065326.db2.gz PGJOPMKTJRFACW-SECBINFHSA-N 2 2 213.325 0.324 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC000532501065 323271420 /nfs/dbraw/zinc/27/14/20/323271420.db2.gz YMNVZAUTENBENZ-UPJWGTAASA-N 2 2 242.363 0.722 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC000532501065 323271422 /nfs/dbraw/zinc/27/14/22/323271422.db2.gz YMNVZAUTENBENZ-UPJWGTAASA-N 2 2 242.363 0.722 20 0 BCADLP Cn1c[nH+]cc1CCC[NH+]1CCOCC1 ZINC000313909654 350165545 /nfs/dbraw/zinc/16/55/45/350165545.db2.gz AFZXDTPQFGUOHY-UHFFFAOYSA-N 2 2 209.293 0.685 20 0 BCADLP Cc1[nH+]c2ccccc2n1CCC(=O)NCC[NH3+] ZINC000057867537 180102984 /nfs/dbraw/zinc/10/29/84/180102984.db2.gz DPPHOZNCZGCWPQ-UHFFFAOYSA-N 2 2 246.314 0.810 20 0 BCADLP Cc1ncc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)s1 ZINC000336762172 180152866 /nfs/dbraw/zinc/15/28/66/180152866.db2.gz LESHCCMCJGRWHH-LLVKDONJSA-N 2 2 241.360 0.608 20 0 BCADLP Cc1ncc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)s1 ZINC000336762172 180152868 /nfs/dbraw/zinc/15/28/68/180152868.db2.gz LESHCCMCJGRWHH-LLVKDONJSA-N 2 2 241.360 0.608 20 0 BCADLP Cc1ncc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cn1 ZINC000352414335 180145351 /nfs/dbraw/zinc/14/53/51/180145351.db2.gz TYFZWRGLAVZYRO-BETUJISGSA-N 2 2 232.331 0.778 20 0 BCADLP Cc1ncc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cn1 ZINC000352414335 180145354 /nfs/dbraw/zinc/14/53/54/180145354.db2.gz TYFZWRGLAVZYRO-BETUJISGSA-N 2 2 232.331 0.778 20 0 BCADLP Cc1ncc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cn1 ZINC000352414335 180145356 /nfs/dbraw/zinc/14/53/56/180145356.db2.gz TYFZWRGLAVZYRO-BETUJISGSA-N 2 2 232.331 0.778 20 0 BCADLP Cc1ncc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cn1 ZINC000352414335 180145359 /nfs/dbraw/zinc/14/53/59/180145359.db2.gz TYFZWRGLAVZYRO-BETUJISGSA-N 2 2 232.331 0.778 20 0 BCADLP CN1CC[C@@H]([N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000604759002 350183735 /nfs/dbraw/zinc/18/37/35/350183735.db2.gz MTPILMBSVZHDEB-NWDGAFQWSA-N 2 2 248.330 0.751 20 0 BCADLP CN1CC[C@@H]([N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000604759002 350183740 /nfs/dbraw/zinc/18/37/40/350183740.db2.gz MTPILMBSVZHDEB-NWDGAFQWSA-N 2 2 248.330 0.751 20 0 BCADLP Cc1nc(NC[C@@H]2C[N@H+](C)CCO2)cc[nH+]1 ZINC000085485887 180201076 /nfs/dbraw/zinc/20/10/76/180201076.db2.gz XUQRXRPMTJMBTK-SNVBAGLBSA-N 2 2 222.292 0.528 20 0 BCADLP Cc1nc(NC[C@@H]2C[N@@H+](C)CCO2)cc[nH+]1 ZINC000085485887 180201078 /nfs/dbraw/zinc/20/10/78/180201078.db2.gz XUQRXRPMTJMBTK-SNVBAGLBSA-N 2 2 222.292 0.528 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@@H]1CCCOCC1 ZINC000083425699 350208959 /nfs/dbraw/zinc/20/89/59/350208959.db2.gz TXFHFGIETRUMHO-GFCCVEGCSA-N 2 2 230.352 0.723 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@@H]1CCCOCC1 ZINC000083425699 350208961 /nfs/dbraw/zinc/20/89/61/350208961.db2.gz TXFHFGIETRUMHO-GFCCVEGCSA-N 2 2 230.352 0.723 20 0 BCADLP Cc1nc(N[C@H](C)C[NH+]2CCOCC2)cc[nH+]1 ZINC000054936243 180204774 /nfs/dbraw/zinc/20/47/74/180204774.db2.gz JTCXYDIAWUCQCA-SNVBAGLBSA-N 2 2 236.319 0.918 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+](C)CC(=O)NC1CC1 ZINC000270662610 180246698 /nfs/dbraw/zinc/24/66/98/180246698.db2.gz PFFKSUQRYMRNSZ-UHFFFAOYSA-N 2 2 236.319 0.402 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+](C)CC(=O)NC1CC1 ZINC000270662610 180246702 /nfs/dbraw/zinc/24/67/02/180246702.db2.gz PFFKSUQRYMRNSZ-UHFFFAOYSA-N 2 2 236.319 0.402 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](O)C[C@H]1C ZINC000308754130 180254033 /nfs/dbraw/zinc/25/40/33/180254033.db2.gz UBPBQPXZYOYUQQ-MWLCHTKSSA-N 2 2 209.293 0.647 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](O)C[C@H]1C ZINC000308754130 180254036 /nfs/dbraw/zinc/25/40/36/180254036.db2.gz UBPBQPXZYOYUQQ-MWLCHTKSSA-N 2 2 209.293 0.647 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](O)C[C@@H]1C ZINC000308754125 180254555 /nfs/dbraw/zinc/25/45/55/180254555.db2.gz UBPBQPXZYOYUQQ-GXSJLCMTSA-N 2 2 209.293 0.647 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000308754125 180254558 /nfs/dbraw/zinc/25/45/58/180254558.db2.gz UBPBQPXZYOYUQQ-GXSJLCMTSA-N 2 2 209.293 0.647 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000334150697 180254816 /nfs/dbraw/zinc/25/48/16/180254816.db2.gz NKRVGKYWJGKRFO-GFCCVEGCSA-N 2 2 248.330 0.498 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000334150697 180254820 /nfs/dbraw/zinc/25/48/20/180254820.db2.gz NKRVGKYWJGKRFO-GFCCVEGCSA-N 2 2 248.330 0.498 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCOC[C@@H]1C ZINC000270681916 180256125 /nfs/dbraw/zinc/25/61/25/180256125.db2.gz VEMQXUHENLNERG-JTQLQIEISA-N 2 2 209.293 0.912 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCOC[C@@H]1C ZINC000270681916 180256128 /nfs/dbraw/zinc/25/61/28/180256128.db2.gz VEMQXUHENLNERG-JTQLQIEISA-N 2 2 209.293 0.912 20 0 BCADLP Cc1[nH+]cn(C[C@@H](O)C[NH+]2CCOCC2)c1C ZINC000304009238 180288373 /nfs/dbraw/zinc/28/83/73/180288373.db2.gz DYMBEYSWHGYSRL-LBPRGKRZSA-N 2 2 239.319 0.193 20 0 BCADLP Cn1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000309257960 323332295 /nfs/dbraw/zinc/33/22/95/323332295.db2.gz GZZANNPBDJACLM-PWSUYJOCSA-N 2 2 220.320 0.604 20 0 BCADLP Cn1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000309257960 323332301 /nfs/dbraw/zinc/33/23/01/323332301.db2.gz GZZANNPBDJACLM-PWSUYJOCSA-N 2 2 220.320 0.604 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCCC2)C1 ZINC000328217945 350393783 /nfs/dbraw/zinc/39/37/83/350393783.db2.gz XLAOQPZWGFGTGK-LLVKDONJSA-N 2 2 212.337 0.975 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+]CC2(O)CCCC2)C1 ZINC000328217945 350393785 /nfs/dbraw/zinc/39/37/85/350393785.db2.gz XLAOQPZWGFGTGK-LLVKDONJSA-N 2 2 212.337 0.975 20 0 BCADLP Cc1ncsc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336769731 180321617 /nfs/dbraw/zinc/32/16/17/180321617.db2.gz SKBSOQNZPGIAED-LLVKDONJSA-N 2 2 241.360 0.608 20 0 BCADLP C[C@H](C(=O)N1CCn2c[nH+]cc2C1)[NH+]1CC(C)C1 ZINC000580783755 350436744 /nfs/dbraw/zinc/43/67/44/350436744.db2.gz OIQCWSMGSRVALT-LLVKDONJSA-N 2 2 248.330 0.566 20 0 BCADLP CNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177057081 365960435 /nfs/dbraw/zinc/96/04/35/365960435.db2.gz ULKCHYWIWOAADY-NXEZZACHSA-N 2 2 213.325 0.147 20 0 BCADLP CNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177057081 365960442 /nfs/dbraw/zinc/96/04/42/365960442.db2.gz ULKCHYWIWOAADY-NXEZZACHSA-N 2 2 213.325 0.147 20 0 BCADLP CNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177057081 365960448 /nfs/dbraw/zinc/96/04/48/365960448.db2.gz ULKCHYWIWOAADY-NXEZZACHSA-N 2 2 213.325 0.147 20 0 BCADLP CNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177057081 365960452 /nfs/dbraw/zinc/96/04/52/365960452.db2.gz ULKCHYWIWOAADY-NXEZZACHSA-N 2 2 213.325 0.147 20 0 BCADLP Cc1nn(C)cc1C[N@@H+]1CCC[NH2+]CC1 ZINC000107383517 180371355 /nfs/dbraw/zinc/37/13/55/180371355.db2.gz CYOVANUJIUJHAM-UHFFFAOYSA-N 2 2 208.309 0.524 20 0 BCADLP Cc1nn(C)cc1C[N@H+]1CCC[NH2+]CC1 ZINC000107383517 180371357 /nfs/dbraw/zinc/37/13/57/180371357.db2.gz CYOVANUJIUJHAM-UHFFFAOYSA-N 2 2 208.309 0.524 20 0 BCADLP c1cn(CC[N@@H+]2CCC[C@H](n3cncn3)C2)c[nH+]1 ZINC000163178266 350504636 /nfs/dbraw/zinc/50/46/36/350504636.db2.gz WMEWLIMCKKAISO-LBPRGKRZSA-N 2 2 246.318 0.812 20 0 BCADLP c1cn(CC[N@H+]2CCC[C@H](n3cncn3)C2)c[nH+]1 ZINC000163178266 350504638 /nfs/dbraw/zinc/50/46/38/350504638.db2.gz WMEWLIMCKKAISO-LBPRGKRZSA-N 2 2 246.318 0.812 20 0 BCADLP C[C@H](O)C[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000563362796 350824601 /nfs/dbraw/zinc/82/46/01/350824601.db2.gz BZHJMQWTRIRZKL-NEPJUHHUSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H](O)C[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000563362796 350824604 /nfs/dbraw/zinc/82/46/04/350824604.db2.gz BZHJMQWTRIRZKL-NEPJUHHUSA-N 2 2 242.363 0.552 20 0 BCADLP Cn1c[nH+]cc1CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000623085732 350842569 /nfs/dbraw/zinc/84/25/69/350842569.db2.gz BHGRLJKONULPCV-UHFFFAOYSA-N 3 2 245.330 0.895 20 0 BCADLP CCCn1ncnc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000216160371 350921878 /nfs/dbraw/zinc/92/18/78/350921878.db2.gz XOPUEHIYVAFZRF-QWRGUYRKSA-N 2 2 237.351 0.857 20 0 BCADLP CCCn1ncnc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000216160371 350921884 /nfs/dbraw/zinc/92/18/84/350921884.db2.gz XOPUEHIYVAFZRF-QWRGUYRKSA-N 2 2 237.351 0.857 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CO[C@H](C)C1 ZINC000402185020 362996401 /nfs/dbraw/zinc/99/64/01/362996401.db2.gz BYBJDHRMJBLMKU-DDHJBXDOSA-N 2 2 228.336 0.520 20 0 BCADLP CC[N@H+]1CCN(Cc2[nH+]ccn2C)[C@H](C)C1 ZINC000264308199 351232311 /nfs/dbraw/zinc/23/23/11/351232311.db2.gz ZEWSQZDDQJBMFR-LLVKDONJSA-N 2 2 222.336 0.946 20 0 BCADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CCC([NH3+])CC1 ZINC000034939792 351355319 /nfs/dbraw/zinc/35/53/19/351355319.db2.gz SGBUPUWZRBUMPC-SNVBAGLBSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@H](C(=O)N1CCCCC1)[NH+]1CCC([NH3+])CC1 ZINC000034939766 351355434 /nfs/dbraw/zinc/35/54/34/351355434.db2.gz NATOMSNSUQRIGC-LLVKDONJSA-N 2 2 239.363 0.811 20 0 BCADLP CC[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000072826027 351608537 /nfs/dbraw/zinc/60/85/37/351608537.db2.gz NHGNDPDCHWDXGS-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP CCc1c[nH]c(CC(=O)N2CC[C@@H]([NH2+]C)C2)[nH+]1 ZINC000637802471 351636538 /nfs/dbraw/zinc/63/65/38/351636538.db2.gz RMZDJGQKXPKRCG-SNVBAGLBSA-N 2 2 236.319 0.335 20 0 BCADLP CCc1c[nH]c(CC(=O)N2CC[NH2+]C[C@@H]2C)[nH+]1 ZINC000637816607 351656995 /nfs/dbraw/zinc/65/69/95/351656995.db2.gz JRRAGEOFSIIHCM-VIFPVBQESA-N 2 2 236.319 0.335 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]([NH3+])C(C)C ZINC000637848838 351706313 /nfs/dbraw/zinc/70/63/13/351706313.db2.gz KWXLUJSWQKEJCP-SECBINFHSA-N 2 2 224.308 0.360 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]([NH3+])C(C)C ZINC000637848838 351706315 /nfs/dbraw/zinc/70/63/15/351706315.db2.gz KWXLUJSWQKEJCP-SECBINFHSA-N 2 2 224.308 0.360 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000637843453 351702199 /nfs/dbraw/zinc/70/21/99/351702199.db2.gz WNLGXPQOQVFXSB-LBPRGKRZSA-N 2 2 236.319 0.504 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000637843453 351702200 /nfs/dbraw/zinc/70/22/00/351702200.db2.gz WNLGXPQOQVFXSB-LBPRGKRZSA-N 2 2 236.319 0.504 20 0 BCADLP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000637843998 351703332 /nfs/dbraw/zinc/70/33/32/351703332.db2.gz IGRAXNZAZHGRPE-IWSPIJDZSA-N 2 2 222.292 0.319 20 0 BCADLP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000637843998 351703335 /nfs/dbraw/zinc/70/33/35/351703335.db2.gz IGRAXNZAZHGRPE-IWSPIJDZSA-N 2 2 222.292 0.319 20 0 BCADLP C[NH2+]CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000637824400 351664772 /nfs/dbraw/zinc/66/47/72/351664772.db2.gz MJNNUMNVPKTZNC-LLVKDONJSA-N 2 2 238.335 0.806 20 0 BCADLP C[NH2+]CCNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000637826123 351672307 /nfs/dbraw/zinc/67/23/07/351672307.db2.gz ISWREDVLDMZANS-UHFFFAOYSA-N 2 2 232.287 0.592 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC(=O)N(C)C2)n1C ZINC000577769318 366059279 /nfs/dbraw/zinc/05/92/79/366059279.db2.gz HIJPUYWBVDDZOT-SECBINFHSA-N 2 2 222.292 0.049 20 0 BCADLP CCc1c[nH]c(CC(=O)NC[C@H]([NH3+])C(C)C)[nH+]1 ZINC000637848120 351708290 /nfs/dbraw/zinc/70/82/90/351708290.db2.gz GZNFMQUDVPAEDY-JTQLQIEISA-N 2 2 238.335 0.614 20 0 BCADLP CC1(C)NC(=O)CC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000338599750 187502844 /nfs/dbraw/zinc/50/28/44/187502844.db2.gz PUHGFAVKUGVQLQ-SNVBAGLBSA-N 2 2 236.319 0.530 20 0 BCADLP CC[NH2+][C@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000638047503 351926627 /nfs/dbraw/zinc/92/66/27/351926627.db2.gz JUXCYKNEKCTAGK-SNVBAGLBSA-N 2 2 224.308 0.387 20 0 BCADLP [NH3+][C@H]1CC=C(C(=O)NCCn2cc[nH+]c2)C1 ZINC000638051125 351930165 /nfs/dbraw/zinc/93/01/65/351930165.db2.gz CQHUMQCRNRECME-JTQLQIEISA-N 2 2 220.276 0.047 20 0 BCADLP CC[NH2+][C@@H](C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000638072091 351943307 /nfs/dbraw/zinc/94/33/07/351943307.db2.gz CDWDOQHKSMRNFV-UWVGGRQHSA-N 2 2 224.308 0.386 20 0 BCADLP CC[NH2+][C@@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000638072096 351943661 /nfs/dbraw/zinc/94/36/61/351943661.db2.gz CDWDOQHKSMRNFV-ZJUUUORDSA-N 2 2 224.308 0.386 20 0 BCADLP O=c1ccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c[nH]1 ZINC000638089022 351967511 /nfs/dbraw/zinc/96/75/11/351967511.db2.gz KFNSGGMKFAKVOD-NWDGAFQWSA-N 2 2 233.315 0.971 20 0 BCADLP O=c1ccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c[nH]1 ZINC000638089022 351967514 /nfs/dbraw/zinc/96/75/14/351967514.db2.gz KFNSGGMKFAKVOD-NWDGAFQWSA-N 2 2 233.315 0.971 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000638175939 352042327 /nfs/dbraw/zinc/04/23/27/352042327.db2.gz ACPVIAUBGWANQX-LDYMZIIASA-N 2 2 236.319 0.375 20 0 BCADLP Cc1cn2ccc(C(=O)NCC3C[NH2+]C3)cc2[nH+]1 ZINC000638155718 352018620 /nfs/dbraw/zinc/01/86/20/352018620.db2.gz YBIGVNBYYAMAIN-UHFFFAOYSA-N 2 2 244.298 0.592 20 0 BCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000638173847 352038211 /nfs/dbraw/zinc/03/82/11/352038211.db2.gz DTFNULYERSZFRQ-QMMMGPOBSA-N 2 2 235.278 0.181 20 0 BCADLP C[N@H+]1CCCC[C@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000638173847 352038216 /nfs/dbraw/zinc/03/82/16/352038216.db2.gz DTFNULYERSZFRQ-QMMMGPOBSA-N 2 2 235.278 0.181 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000638172199 352039624 /nfs/dbraw/zinc/03/96/24/352039624.db2.gz TZRHRKMZNUWVMR-CYBMUJFWSA-N 2 2 248.330 0.473 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000638247562 352093597 /nfs/dbraw/zinc/09/35/97/352093597.db2.gz OKZSEZZZWCUUQK-WDEREUQCSA-N 2 2 248.330 0.471 20 0 BCADLP CC[N@@H+]1CCN(Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000286688337 352100757 /nfs/dbraw/zinc/10/07/57/352100757.db2.gz VVNHYQUKTWQWFK-SNVBAGLBSA-N 2 2 208.309 0.936 20 0 BCADLP CC[N@H+]1CCN(Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000286688337 352100758 /nfs/dbraw/zinc/10/07/58/352100758.db2.gz VVNHYQUKTWQWFK-SNVBAGLBSA-N 2 2 208.309 0.936 20 0 BCADLP CC[N@@H+]1CCN(Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000286688337 352100760 /nfs/dbraw/zinc/10/07/60/352100760.db2.gz VVNHYQUKTWQWFK-SNVBAGLBSA-N 2 2 208.309 0.936 20 0 BCADLP CC[N@H+]1CCN(Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000286688337 352100764 /nfs/dbraw/zinc/10/07/64/352100764.db2.gz VVNHYQUKTWQWFK-SNVBAGLBSA-N 2 2 208.309 0.936 20 0 BCADLP Cc1cc(CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])cc(C)[nH+]1 ZINC000638354122 352168406 /nfs/dbraw/zinc/16/84/06/352168406.db2.gz GZYJRHAKUPNQQY-NWDGAFQWSA-N 2 2 249.314 0.431 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000638368969 352180724 /nfs/dbraw/zinc/18/07/24/352180724.db2.gz CPBBZMMBACLOMR-HTQZYQBOSA-N 2 2 224.308 0.503 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000638368969 352180727 /nfs/dbraw/zinc/18/07/27/352180727.db2.gz CPBBZMMBACLOMR-HTQZYQBOSA-N 2 2 224.308 0.503 20 0 BCADLP C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638433560 352242286 /nfs/dbraw/zinc/24/22/86/352242286.db2.gz WXXLPJRFUNQKFX-DJLDLDEBSA-N 2 2 222.292 0.237 20 0 BCADLP C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638433560 352242292 /nfs/dbraw/zinc/24/22/92/352242292.db2.gz WXXLPJRFUNQKFX-DJLDLDEBSA-N 2 2 222.292 0.237 20 0 BCADLP CCc1c[nH]c(CC(=O)N[C@H](C)C[NH2+]C)[nH+]1 ZINC000638431490 352239335 /nfs/dbraw/zinc/23/93/35/352239335.db2.gz FBXURYABQMOMJI-MRVPVSSYSA-N 2 2 224.308 0.239 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1CCC[N@H+](C)C1)[C@H]1CCOC1 ZINC000638407573 352212815 /nfs/dbraw/zinc/21/28/15/352212815.db2.gz BMSVWCQGWJTKFJ-YNEHKIRRSA-N 2 2 242.363 0.722 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1CCC[N@@H+](C)C1)[C@H]1CCOC1 ZINC000638407573 352212818 /nfs/dbraw/zinc/21/28/18/352212818.db2.gz BMSVWCQGWJTKFJ-YNEHKIRRSA-N 2 2 242.363 0.722 20 0 BCADLP CCc1c[nH]c(CC(=O)N[C@@]2(C)CC[NH2+]C2)[nH+]1 ZINC000638441277 352247420 /nfs/dbraw/zinc/24/74/20/352247420.db2.gz URYMVUPKVFXIHZ-LBPRGKRZSA-N 2 2 236.319 0.383 20 0 BCADLP CCN(CC[NH3+])C(=O)Cc1cn2ccccc2[nH+]1 ZINC000638518466 352350005 /nfs/dbraw/zinc/35/00/05/352350005.db2.gz LJHPSTSDSXCPEJ-UHFFFAOYSA-N 2 2 246.314 0.684 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638596342 352426172 /nfs/dbraw/zinc/42/61/72/352426172.db2.gz JXMIBEUZVOYYLJ-CRWXNKLISA-N 2 2 237.391 0.868 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638596342 352426175 /nfs/dbraw/zinc/42/61/75/352426175.db2.gz JXMIBEUZVOYYLJ-CRWXNKLISA-N 2 2 237.391 0.868 20 0 BCADLP C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[NH2+]1 ZINC000638642517 352484267 /nfs/dbraw/zinc/48/42/67/352484267.db2.gz WQOYYUWANGSOPL-LMLFDSFASA-N 2 2 248.330 0.770 20 0 BCADLP C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[NH2+]1 ZINC000638642517 352484269 /nfs/dbraw/zinc/48/42/69/352484269.db2.gz WQOYYUWANGSOPL-LMLFDSFASA-N 2 2 248.330 0.770 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c[nH+]1 ZINC000638644641 352488179 /nfs/dbraw/zinc/48/81/79/352488179.db2.gz QRCVXDGAKQVSBO-IONNQARKSA-N 2 2 222.292 0.588 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040601148 352603446 /nfs/dbraw/zinc/60/34/46/352603446.db2.gz FLJISTAEVZMIHQ-VXGBXAGGSA-N 2 2 241.379 0.833 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040601148 352603450 /nfs/dbraw/zinc/60/34/50/352603450.db2.gz FLJISTAEVZMIHQ-VXGBXAGGSA-N 2 2 241.379 0.833 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000042166333 352614559 /nfs/dbraw/zinc/61/45/59/352614559.db2.gz LIWGUIOQNJQFNW-MNOVXSKESA-N 2 2 236.319 0.530 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000638774884 352719407 /nfs/dbraw/zinc/71/94/07/352719407.db2.gz WKZBNTLDJTUONS-GARJFASQSA-N 2 2 248.330 0.312 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000638774885 352719561 /nfs/dbraw/zinc/71/95/61/352719561.db2.gz WKZBNTLDJTUONS-HBNTYKKESA-N 2 2 248.330 0.312 20 0 BCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[NH2+]C1 ZINC000638792619 352754367 /nfs/dbraw/zinc/75/43/67/352754367.db2.gz OUNGTVYUGQVARX-SNVBAGLBSA-N 2 2 248.330 0.240 20 0 BCADLP Cc1c[nH+]c(CN2C[C@H]3C[NH+](C)C[C@@H]3C2)n1C ZINC000342846717 352873360 /nfs/dbraw/zinc/87/33/60/352873360.db2.gz NWWFXCDNKQQQFF-VXGBXAGGSA-N 2 2 234.347 0.722 20 0 BCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@H](C)[NH+](C)C ZINC000638864674 353038725 /nfs/dbraw/zinc/03/87/25/353038725.db2.gz BKZDUQJSQRCNJE-WOPDTQHZSA-N 2 2 241.379 0.973 20 0 BCADLP CO[C@@]1(C[NH2+]CC[N@@H+]2CC[C@H](C)C2)CCOC1 ZINC000638874105 353044272 /nfs/dbraw/zinc/04/42/72/353044272.db2.gz PFEJSSPPVLIPQK-QWHCGFSZSA-N 2 2 242.363 0.723 20 0 BCADLP CO[C@@]1(C[NH2+]CC[N@H+]2CC[C@H](C)C2)CCOC1 ZINC000638874105 353044274 /nfs/dbraw/zinc/04/42/74/353044274.db2.gz PFEJSSPPVLIPQK-QWHCGFSZSA-N 2 2 242.363 0.723 20 0 BCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638918284 353082467 /nfs/dbraw/zinc/08/24/67/353082467.db2.gz OQGKXCWZEMPVRG-VWYCJHECSA-N 2 2 246.314 0.018 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCn1cc[nH+]c1 ZINC000638933387 353095462 /nfs/dbraw/zinc/09/54/62/353095462.db2.gz BYQGLYNYIQPKLI-NXEZZACHSA-N 2 2 222.292 0.221 20 0 BCADLP CC(C)[C@H](C)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000357309938 188065817 /nfs/dbraw/zinc/06/58/17/188065817.db2.gz QLEDJJZLEDCIDA-LBPRGKRZSA-N 2 2 241.379 0.737 20 0 BCADLP CC(C)[C@H](C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000357309938 188065819 /nfs/dbraw/zinc/06/58/19/188065819.db2.gz QLEDJJZLEDCIDA-LBPRGKRZSA-N 2 2 241.379 0.737 20 0 BCADLP CC[NH+]1CCC([NH2+]CC2([S@@](C)=O)CC2)CC1 ZINC000336756949 353156852 /nfs/dbraw/zinc/15/68/52/353156852.db2.gz HHLWSBJLNFXLMP-MRXNPFEDSA-N 2 2 244.404 0.971 20 0 BCADLP CC(C)C[C@H]([NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000020506378 188108514 /nfs/dbraw/zinc/10/85/14/188108514.db2.gz XGKSROQACYCRAA-NSHDSACASA-N 2 2 238.335 0.763 20 0 BCADLP C=CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000037834063 188114982 /nfs/dbraw/zinc/11/49/82/188114982.db2.gz XUHJUNWAXXJKRI-UHFFFAOYSA-N 2 2 239.363 0.657 20 0 BCADLP C=CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000037834063 188114983 /nfs/dbraw/zinc/11/49/83/188114983.db2.gz XUHJUNWAXXJKRI-UHFFFAOYSA-N 2 2 239.363 0.657 20 0 BCADLP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227075183 188155699 /nfs/dbraw/zinc/15/56/99/188155699.db2.gz TWPCYKZDCVBWOP-WDEREUQCSA-N 2 2 227.352 0.522 20 0 BCADLP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227075183 188155701 /nfs/dbraw/zinc/15/57/01/188155701.db2.gz TWPCYKZDCVBWOP-WDEREUQCSA-N 2 2 227.352 0.522 20 0 BCADLP CC(C)[C@@](C)(O)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336760247 188171633 /nfs/dbraw/zinc/17/16/33/188171633.db2.gz MCFLYINSBCRBFP-WOPDTQHZSA-N 2 2 214.353 0.933 20 0 BCADLP CC(C)[C@@](C)(O)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336760247 188171635 /nfs/dbraw/zinc/17/16/35/188171635.db2.gz MCFLYINSBCRBFP-WOPDTQHZSA-N 2 2 214.353 0.933 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250578771 353272599 /nfs/dbraw/zinc/27/25/99/353272599.db2.gz UDBANDUMAFADLO-NWDGAFQWSA-N 2 2 241.379 0.818 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250578771 353272602 /nfs/dbraw/zinc/27/26/02/353272602.db2.gz UDBANDUMAFADLO-NWDGAFQWSA-N 2 2 241.379 0.818 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050247459 188219680 /nfs/dbraw/zinc/21/96/80/188219680.db2.gz LEWMPFMFRGLTAL-WDEREUQCSA-N 2 2 227.352 0.428 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050247459 188219682 /nfs/dbraw/zinc/21/96/82/188219682.db2.gz LEWMPFMFRGLTAL-WDEREUQCSA-N 2 2 227.352 0.428 20 0 BCADLP CC[C@H]([NH2+]C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000639016508 353268842 /nfs/dbraw/zinc/26/88/42/353268842.db2.gz JQIGKVVOPXGQAC-QMMMGPOBSA-N 2 2 210.281 0.366 20 0 BCADLP C[C@H]1C[N@H+](C)CCN1C(=O)c1coc(C[NH3+])c1 ZINC000336423221 188229720 /nfs/dbraw/zinc/22/97/20/188229720.db2.gz ZCDDWQZMALPBLP-VIFPVBQESA-N 2 2 237.303 0.514 20 0 BCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)c1coc(C[NH3+])c1 ZINC000336423221 188229722 /nfs/dbraw/zinc/22/97/22/188229722.db2.gz ZCDDWQZMALPBLP-VIFPVBQESA-N 2 2 237.303 0.514 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1CCCO1 ZINC000252969331 353313695 /nfs/dbraw/zinc/31/36/95/353313695.db2.gz WBNMYBCBMQGFOT-GRYCIOLGSA-N 2 2 228.336 0.522 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]C[C@@H](OC)C1CC1 ZINC000639053565 353355749 /nfs/dbraw/zinc/35/57/49/353355749.db2.gz JOWPWAPPBCRWHY-GFCCVEGCSA-N 2 2 230.352 0.315 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]C[C@@H](OC)C1CC1 ZINC000639053565 353355751 /nfs/dbraw/zinc/35/57/51/353355751.db2.gz JOWPWAPPBCRWHY-GFCCVEGCSA-N 2 2 230.352 0.315 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000563713850 353358215 /nfs/dbraw/zinc/35/82/15/353358215.db2.gz MXKFWNPVZOLCPV-NEPJUHHUSA-N 3 2 227.352 0.036 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000563713850 353358217 /nfs/dbraw/zinc/35/82/17/353358217.db2.gz MXKFWNPVZOLCPV-NEPJUHHUSA-N 3 2 227.352 0.036 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H]1CS[C@H](C)C1 ZINC000639054414 353359283 /nfs/dbraw/zinc/35/92/83/353359283.db2.gz QTLKEWTWXUFFOF-GHMZBOCLSA-N 2 2 232.393 0.784 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CS[C@H](C)C1 ZINC000639054414 353359286 /nfs/dbraw/zinc/35/92/86/353359286.db2.gz QTLKEWTWXUFFOF-GHMZBOCLSA-N 2 2 232.393 0.784 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000639054416 353359680 /nfs/dbraw/zinc/35/96/80/353359680.db2.gz QTLKEWTWXUFFOF-QWRGUYRKSA-N 2 2 232.393 0.784 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000639054416 353359683 /nfs/dbraw/zinc/35/96/83/353359683.db2.gz QTLKEWTWXUFFOF-QWRGUYRKSA-N 2 2 232.393 0.784 20 0 BCADLP Cc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)sn1 ZINC000639049419 353344432 /nfs/dbraw/zinc/34/44/32/353344432.db2.gz QUNDFPQWRCXLBZ-NSHDSACASA-N 2 2 241.360 0.608 20 0 BCADLP Cc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)sn1 ZINC000639049419 353344433 /nfs/dbraw/zinc/34/44/33/353344433.db2.gz QUNDFPQWRCXLBZ-NSHDSACASA-N 2 2 241.360 0.608 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]C[C@@](C)(CC)OC ZINC000639051985 353352509 /nfs/dbraw/zinc/35/25/09/353352509.db2.gz AWUQRVBOAIHOBD-GFCCVEGCSA-N 2 2 232.368 0.705 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]C[C@@](C)(CC)OC ZINC000639051985 353352512 /nfs/dbraw/zinc/35/25/12/353352512.db2.gz AWUQRVBOAIHOBD-GFCCVEGCSA-N 2 2 232.368 0.705 20 0 BCADLP Cc1[nH+]ccn1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000085283541 538116268 /nfs/dbraw/zinc/11/62/68/538116268.db2.gz OMZCAHSLJCBIRJ-VXGBXAGGSA-N 3 2 220.320 0.343 20 0 BCADLP CO[C@@H]1CC[N@H+](CCOC(C)C)[C@@H](C[NH3+])C1 ZINC000165666442 353434098 /nfs/dbraw/zinc/43/40/98/353434098.db2.gz QWSPJWGWQKCPKT-VXGBXAGGSA-N 2 2 230.352 0.850 20 0 BCADLP CO[C@@H]1CC[N@@H+](CCOC(C)C)[C@@H](C[NH3+])C1 ZINC000165666442 353434100 /nfs/dbraw/zinc/43/41/00/353434100.db2.gz QWSPJWGWQKCPKT-VXGBXAGGSA-N 2 2 230.352 0.850 20 0 BCADLP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCNC1=O ZINC000178204698 366105324 /nfs/dbraw/zinc/10/53/24/366105324.db2.gz NTLZXCBNMALYRO-GHMZBOCLSA-N 2 2 225.336 0.149 20 0 BCADLP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCNC1=O ZINC000178204698 366105328 /nfs/dbraw/zinc/10/53/28/366105328.db2.gz NTLZXCBNMALYRO-GHMZBOCLSA-N 2 2 225.336 0.149 20 0 BCADLP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCNC1=O ZINC000178204698 366105331 /nfs/dbraw/zinc/10/53/31/366105331.db2.gz NTLZXCBNMALYRO-GHMZBOCLSA-N 2 2 225.336 0.149 20 0 BCADLP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCNC1=O ZINC000178204698 366105333 /nfs/dbraw/zinc/10/53/33/366105333.db2.gz NTLZXCBNMALYRO-GHMZBOCLSA-N 2 2 225.336 0.149 20 0 BCADLP C[N@@H+]1CCc2ncnc(N[C@H]3CCC[NH2+]C3)c2C1 ZINC000563876230 353725914 /nfs/dbraw/zinc/72/59/14/353725914.db2.gz CCSUPWCBAMLGTK-JTQLQIEISA-N 2 2 247.346 0.628 20 0 BCADLP C[N@H+]1CCc2ncnc(N[C@H]3CCC[NH2+]C3)c2C1 ZINC000563876230 353725916 /nfs/dbraw/zinc/72/59/16/353725916.db2.gz CCSUPWCBAMLGTK-JTQLQIEISA-N 2 2 247.346 0.628 20 0 BCADLP COC[C@H](O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000577931493 366107736 /nfs/dbraw/zinc/10/77/36/366107736.db2.gz XARZVQYGOYIQCZ-GHMZBOCLSA-N 2 2 239.319 0.217 20 0 BCADLP COC[C@H](O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000577931493 366107741 /nfs/dbraw/zinc/10/77/41/366107741.db2.gz XARZVQYGOYIQCZ-GHMZBOCLSA-N 2 2 239.319 0.217 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC000343344724 353824744 /nfs/dbraw/zinc/82/47/44/353824744.db2.gz DLHCSEFWPIUPQU-YPMHNXCESA-N 2 2 236.363 0.892 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC000343344724 353824748 /nfs/dbraw/zinc/82/47/48/353824748.db2.gz DLHCSEFWPIUPQU-YPMHNXCESA-N 2 2 236.363 0.892 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC000343344722 353824847 /nfs/dbraw/zinc/82/48/47/353824847.db2.gz DLHCSEFWPIUPQU-DGCLKSJQSA-N 2 2 236.363 0.892 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC000343344722 353824849 /nfs/dbraw/zinc/82/48/49/353824849.db2.gz DLHCSEFWPIUPQU-DGCLKSJQSA-N 2 2 236.363 0.892 20 0 BCADLP CCCNC(=O)CC[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000343424262 353881810 /nfs/dbraw/zinc/88/18/10/353881810.db2.gz AIEUCWXEJPXJHL-NEPJUHHUSA-N 2 2 241.379 0.833 20 0 BCADLP CCCNC(=O)CC[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000343424262 353881814 /nfs/dbraw/zinc/88/18/14/353881814.db2.gz AIEUCWXEJPXJHL-NEPJUHHUSA-N 2 2 241.379 0.833 20 0 BCADLP O=C1CC[C@@H]2C[N@H+](CCCn3cc[nH+]c3)CCN12 ZINC000343584281 353939936 /nfs/dbraw/zinc/93/99/36/353939936.db2.gz NQHCYHGAEFSFRQ-GFCCVEGCSA-N 2 2 248.330 0.580 20 0 BCADLP O=C1CC[C@@H]2C[N@@H+](CCCn3cc[nH+]c3)CCN12 ZINC000343584281 353939938 /nfs/dbraw/zinc/93/99/38/353939938.db2.gz NQHCYHGAEFSFRQ-GFCCVEGCSA-N 2 2 248.330 0.580 20 0 BCADLP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623175775 353972783 /nfs/dbraw/zinc/97/27/83/353972783.db2.gz MFIJBDBWEJZEAW-QWRGUYRKSA-N 2 2 248.330 0.266 20 0 BCADLP Cc1cccc2nc(C[N@H+](C)C[C@@H](O)C[NH3+])cn21 ZINC000577955941 366139224 /nfs/dbraw/zinc/13/92/24/366139224.db2.gz MKHGDGNPKVDGNI-LBPRGKRZSA-N 2 2 248.330 0.394 20 0 BCADLP Cc1cccc2nc(C[N@@H+](C)C[C@@H](O)C[NH3+])cn21 ZINC000577955941 366139230 /nfs/dbraw/zinc/13/92/30/366139230.db2.gz MKHGDGNPKVDGNI-LBPRGKRZSA-N 2 2 248.330 0.394 20 0 BCADLP Cc1cccc2[nH+]c(CN(C)C[C@@H](O)C[NH3+])cn21 ZINC000577955941 366139235 /nfs/dbraw/zinc/13/92/35/366139235.db2.gz MKHGDGNPKVDGNI-LBPRGKRZSA-N 2 2 248.330 0.394 20 0 BCADLP COCCOCCCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000343918176 354041511 /nfs/dbraw/zinc/04/15/11/354041511.db2.gz QPEZRJHZLMEZGO-OLZOCXBDSA-N 2 2 244.379 0.969 20 0 BCADLP COCCOCCCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000343918176 354041512 /nfs/dbraw/zinc/04/15/12/354041512.db2.gz QPEZRJHZLMEZGO-OLZOCXBDSA-N 2 2 244.379 0.969 20 0 BCADLP C[C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[NH2+]1 ZINC000623176085 354003413 /nfs/dbraw/zinc/00/34/13/354003413.db2.gz DNQITJLGOZKPAB-WDEREUQCSA-N 2 2 248.330 0.266 20 0 BCADLP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[NH2+]C1 ZINC000623176229 354009289 /nfs/dbraw/zinc/00/92/89/354009289.db2.gz PJRHEMZENAGVQC-WDEREUQCSA-N 2 2 248.330 0.266 20 0 BCADLP CC(C)([NH3+])CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623176376 354011240 /nfs/dbraw/zinc/01/12/40/354011240.db2.gz XTMSAFMCPDXKSU-SECBINFHSA-N 2 2 236.319 0.299 20 0 BCADLP C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)C[NH+](C)C ZINC000639167595 354036572 /nfs/dbraw/zinc/03/65/72/354036572.db2.gz HNNNWVMAWLORJD-QWRGUYRKSA-N 2 2 222.336 0.947 20 0 BCADLP CC(=O)N1CC[N@H+](C[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000334572941 354102314 /nfs/dbraw/zinc/10/23/14/354102314.db2.gz ZWRPQGNUPVXTOL-AAEUAGOBSA-N 2 2 239.363 0.539 20 0 BCADLP CC(=O)N1CC[N@@H+](C[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000334572941 354102316 /nfs/dbraw/zinc/10/23/16/354102316.db2.gz ZWRPQGNUPVXTOL-AAEUAGOBSA-N 2 2 239.363 0.539 20 0 BCADLP CCC(CC)[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C1 ZINC000230484800 363312614 /nfs/dbraw/zinc/31/26/14/363312614.db2.gz INJWMVNCWXSKSI-MNOVXSKESA-N 2 2 200.326 0.735 20 0 BCADLP CCC(CC)[C@@H](O)C[NH2+][C@H]1CC[NH2+]C1 ZINC000230484864 363312641 /nfs/dbraw/zinc/31/26/41/363312641.db2.gz INJWMVNCWXSKSI-QWRGUYRKSA-N 2 2 200.326 0.735 20 0 BCADLP Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC000344052982 354125043 /nfs/dbraw/zinc/12/50/43/354125043.db2.gz DUNOHPVDPSJLHF-YUSALJHKSA-N 2 2 249.362 0.441 20 0 BCADLP Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC000344052982 354125045 /nfs/dbraw/zinc/12/50/45/354125045.db2.gz DUNOHPVDPSJLHF-YUSALJHKSA-N 2 2 249.362 0.441 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](O)COCC1CC1 ZINC000344170031 354171066 /nfs/dbraw/zinc/17/10/66/354171066.db2.gz LQCFHGXMCFWUCT-WXHSDQCUSA-N 2 2 242.363 0.314 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](O)COCC1CC1 ZINC000344170031 354171070 /nfs/dbraw/zinc/17/10/70/354171070.db2.gz LQCFHGXMCFWUCT-WXHSDQCUSA-N 2 2 242.363 0.314 20 0 BCADLP Cn1c[nH+]cc1CCN1CC[N@H+](C)CC1(C)C ZINC000334586173 354210516 /nfs/dbraw/zinc/21/05/16/354210516.db2.gz NZJNYHDWQQXGNQ-UHFFFAOYSA-N 2 2 236.363 0.989 20 0 BCADLP Cn1c[nH+]cc1CCN1CC[N@@H+](C)CC1(C)C ZINC000334586173 354210518 /nfs/dbraw/zinc/21/05/18/354210518.db2.gz NZJNYHDWQQXGNQ-UHFFFAOYSA-N 2 2 236.363 0.989 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCn2ccnn2)C1 ZINC000344312325 354220526 /nfs/dbraw/zinc/22/05/26/354220526.db2.gz XHNCJUJIFXUVLF-VXGBXAGGSA-N 2 2 237.351 0.598 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCn2ccnn2)C1 ZINC000344312325 354220529 /nfs/dbraw/zinc/22/05/29/354220529.db2.gz XHNCJUJIFXUVLF-VXGBXAGGSA-N 2 2 237.351 0.598 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CCCn2ccnn2)[C@@H](C)C1 ZINC000344312324 354220540 /nfs/dbraw/zinc/22/05/40/354220540.db2.gz XHNCJUJIFXUVLF-RYUDHWBXSA-N 2 2 237.351 0.598 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]CCCn2ccnn2)[C@@H](C)C1 ZINC000344312324 354220543 /nfs/dbraw/zinc/22/05/43/354220543.db2.gz XHNCJUJIFXUVLF-RYUDHWBXSA-N 2 2 237.351 0.598 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@]1(CCO)CCOC1 ZINC000344799979 354376146 /nfs/dbraw/zinc/37/61/46/354376146.db2.gz VTKYODSJKYOMAK-UPJWGTAASA-N 2 2 242.363 0.315 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@]1(CCO)CCOC1 ZINC000344799979 354376147 /nfs/dbraw/zinc/37/61/47/354376147.db2.gz VTKYODSJKYOMAK-UPJWGTAASA-N 2 2 242.363 0.315 20 0 BCADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)C2)C[N@@H+]1C1CC1 ZINC000449749997 202019202 /nfs/dbraw/zinc/01/92/02/202019202.db2.gz HODLAJCFWXTTLG-QFOLPQNPSA-N 2 2 210.321 0.725 20 0 BCADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)C2)C[N@H+]1C1CC1 ZINC000449749997 202019205 /nfs/dbraw/zinc/01/92/05/202019205.db2.gz HODLAJCFWXTTLG-QFOLPQNPSA-N 2 2 210.321 0.725 20 0 BCADLP C[NH+](C)CC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334667045 354406311 /nfs/dbraw/zinc/40/63/11/354406311.db2.gz AKIIIZYVEDUYHN-UHFFFAOYSA-N 2 2 222.292 0.720 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000334680925 354427149 /nfs/dbraw/zinc/42/71/49/354427149.db2.gz JPNATWCRSOIEJZ-JTQLQIEISA-N 2 2 236.319 0.402 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCCNC(=O)[C@@H]1C ZINC000334680925 354427152 /nfs/dbraw/zinc/42/71/52/354427152.db2.gz JPNATWCRSOIEJZ-JTQLQIEISA-N 2 2 236.319 0.402 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000334732982 354532640 /nfs/dbraw/zinc/53/26/40/354532640.db2.gz YQNCSTRXBZGLLS-SNVBAGLBSA-N 2 2 234.303 0.320 20 0 BCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000334732982 354532644 /nfs/dbraw/zinc/53/26/44/354532644.db2.gz YQNCSTRXBZGLLS-SNVBAGLBSA-N 2 2 234.303 0.320 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000334710588 354506808 /nfs/dbraw/zinc/50/68/08/354506808.db2.gz ANESLGCWOUUCML-TXEJJXNPSA-N 2 2 248.330 0.626 20 0 BCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000334814250 354572464 /nfs/dbraw/zinc/57/24/64/354572464.db2.gz WHOWUWOYBVDHFT-GFCCVEGCSA-N 2 2 239.363 0.635 20 0 BCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000334814250 354572467 /nfs/dbraw/zinc/57/24/67/354572467.db2.gz WHOWUWOYBVDHFT-GFCCVEGCSA-N 2 2 239.363 0.635 20 0 BCADLP CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CC[NH3+])C1 ZINC000345542012 354677106 /nfs/dbraw/zinc/67/71/06/354677106.db2.gz RZKNGRGWSVRIKE-VXGBXAGGSA-N 2 2 241.379 0.962 20 0 BCADLP CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000345542012 354677110 /nfs/dbraw/zinc/67/71/10/354677110.db2.gz RZKNGRGWSVRIKE-VXGBXAGGSA-N 2 2 241.379 0.962 20 0 BCADLP CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC[NH3+])C1 ZINC000345542011 354677213 /nfs/dbraw/zinc/67/72/13/354677213.db2.gz RZKNGRGWSVRIKE-RYUDHWBXSA-N 2 2 241.379 0.962 20 0 BCADLP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000345542011 354677215 /nfs/dbraw/zinc/67/72/15/354677215.db2.gz RZKNGRGWSVRIKE-RYUDHWBXSA-N 2 2 241.379 0.962 20 0 BCADLP Cc1ccc(CCC[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c[nH+]1 ZINC000345999676 354836363 /nfs/dbraw/zinc/83/63/63/354836363.db2.gz WQNUBHKZXZWDRG-KGLIPLIRSA-N 3 2 249.358 0.493 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](O)C2)C[N@@H+]1C1CC1 ZINC000449749990 202020509 /nfs/dbraw/zinc/02/05/09/202020509.db2.gz HODLAJCFWXTTLG-BFLSOPEQSA-N 2 2 210.321 0.725 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](O)C2)C[N@H+]1C1CC1 ZINC000449749990 202020512 /nfs/dbraw/zinc/02/05/12/202020512.db2.gz HODLAJCFWXTTLG-BFLSOPEQSA-N 2 2 210.321 0.725 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000346325264 354897271 /nfs/dbraw/zinc/89/72/71/354897271.db2.gz XMNCNAGRDLUHRX-GRYCIOLGSA-N 2 2 241.379 0.926 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000346325264 354897273 /nfs/dbraw/zinc/89/72/73/354897273.db2.gz XMNCNAGRDLUHRX-GRYCIOLGSA-N 2 2 241.379 0.926 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)C[NH+](C)C ZINC000335206418 355042166 /nfs/dbraw/zinc/04/21/66/355042166.db2.gz BJIPLUKUQMPXFK-NXEZZACHSA-N 2 2 213.325 0.099 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)C[NH+](C)C ZINC000335206418 355042169 /nfs/dbraw/zinc/04/21/69/355042169.db2.gz BJIPLUKUQMPXFK-NXEZZACHSA-N 2 2 213.325 0.099 20 0 BCADLP C[C@H](C[NH3+])NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000335213114 355050315 /nfs/dbraw/zinc/05/03/15/355050315.db2.gz KJUBDQHFSCGDHB-MRVPVSSYSA-N 2 2 233.275 0.803 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@@H]2CCC[NH2+]2)c[nH+]1 ZINC000335213460 355051119 /nfs/dbraw/zinc/05/11/19/355051119.db2.gz BBTPHMXCFXIMSI-QMMMGPOBSA-N 2 2 208.265 0.200 20 0 BCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000346824111 355125653 /nfs/dbraw/zinc/12/56/53/355125653.db2.gz LAMCHBBWIVVGHG-JTQLQIEISA-N 2 2 228.336 0.999 20 0 BCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000346824111 355125656 /nfs/dbraw/zinc/12/56/56/355125656.db2.gz LAMCHBBWIVVGHG-JTQLQIEISA-N 2 2 228.336 0.999 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000346813916 355121947 /nfs/dbraw/zinc/12/19/47/355121947.db2.gz BDOYQNOFOJBGIR-SNVBAGLBSA-N 2 2 223.324 0.652 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000346813916 355121949 /nfs/dbraw/zinc/12/19/49/355121949.db2.gz BDOYQNOFOJBGIR-SNVBAGLBSA-N 2 2 223.324 0.652 20 0 BCADLP Cc1[nH]ncc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346832639 355129390 /nfs/dbraw/zinc/12/93/90/355129390.db2.gz RHZFAQMLXIOKQL-DLOVCJGASA-N 2 2 220.320 0.887 20 0 BCADLP Cc1[nH]ncc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346832639 355129394 /nfs/dbraw/zinc/12/93/94/355129394.db2.gz RHZFAQMLXIOKQL-DLOVCJGASA-N 2 2 220.320 0.887 20 0 BCADLP CC(C)([NH3+])C[NH+]1CCC(n2cncn2)CC1 ZINC000346834684 355130264 /nfs/dbraw/zinc/13/02/64/355130264.db2.gz STGPKLSULUPWGC-UHFFFAOYSA-N 2 2 223.324 0.652 20 0 BCADLP CCC(=O)N[C@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000346846517 355135893 /nfs/dbraw/zinc/13/58/93/355135893.db2.gz LDJXBEMRXOQZRP-JTQLQIEISA-N 2 2 227.352 0.714 20 0 BCADLP CCC(=O)N[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000346846517 355135896 /nfs/dbraw/zinc/13/58/96/355135896.db2.gz LDJXBEMRXOQZRP-JTQLQIEISA-N 2 2 227.352 0.714 20 0 BCADLP C[N@H+](Cc1cnc2cnccn12)C1CC[NH2+]CC1 ZINC000347018854 355206638 /nfs/dbraw/zinc/20/66/38/355206638.db2.gz LIUHIBVGHUWEDC-UHFFFAOYSA-N 2 2 245.330 0.913 20 0 BCADLP C[N@@H+](Cc1cnc2cnccn12)C1CC[NH2+]CC1 ZINC000347018854 355206641 /nfs/dbraw/zinc/20/66/41/355206641.db2.gz LIUHIBVGHUWEDC-UHFFFAOYSA-N 2 2 245.330 0.913 20 0 BCADLP C[C@@H]1C[N@H+](Cc2cnc(N(C)C)nc2)CC[C@@H]1[NH3+] ZINC000347003706 355200935 /nfs/dbraw/zinc/20/09/35/355200935.db2.gz LRDPTQROINLHLB-PWSUYJOCSA-N 2 2 249.362 0.712 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2cnc(N(C)C)nc2)CC[C@@H]1[NH3+] ZINC000347003706 355200938 /nfs/dbraw/zinc/20/09/38/355200938.db2.gz LRDPTQROINLHLB-PWSUYJOCSA-N 2 2 249.362 0.712 20 0 BCADLP Cc1nc(N2CCN(CC(C)(C)[NH3+])CC2)cc[nH+]1 ZINC000347006349 355202456 /nfs/dbraw/zinc/20/24/56/355202456.db2.gz PVDAKHYELXMVFK-UHFFFAOYSA-N 2 2 249.362 0.644 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113514479 355250984 /nfs/dbraw/zinc/25/09/84/355250984.db2.gz ZHZLLWGXIJQLJW-LBPRGKRZSA-N 2 2 241.379 0.642 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113514479 355250986 /nfs/dbraw/zinc/25/09/86/355250986.db2.gz ZHZLLWGXIJQLJW-LBPRGKRZSA-N 2 2 241.379 0.642 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2C[C@@H](O)C2)n1C ZINC000623749220 355320564 /nfs/dbraw/zinc/32/05/64/355320564.db2.gz ZHJBJHVXUPNXLM-JGZJWPJOSA-N 2 2 238.335 0.347 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2COCCO2)n1C ZINC000583511137 355347961 /nfs/dbraw/zinc/34/79/61/355347961.db2.gz RCWNZCPTJCONTD-LLVKDONJSA-N 2 2 225.292 0.234 20 0 BCADLP CCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000335812461 355499577 /nfs/dbraw/zinc/49/95/77/355499577.db2.gz UGUAHCAZFMEEDJ-LLVKDONJSA-N 2 2 225.336 0.293 20 0 BCADLP CCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000335812461 355499581 /nfs/dbraw/zinc/49/95/81/355499581.db2.gz UGUAHCAZFMEEDJ-LLVKDONJSA-N 2 2 225.336 0.293 20 0 BCADLP C[NH2+]CC[NH2+]Cc1ccc(-n2cncn2)c(C)c1 ZINC000414820177 191583348 /nfs/dbraw/zinc/58/33/48/191583348.db2.gz IYYAASZCSMNRFX-UHFFFAOYSA-N 2 2 245.330 0.885 20 0 BCADLP [NH2+]=C(NCCCn1cc[nH+]c1)NC1CC1 ZINC000052041522 181198343 /nfs/dbraw/zinc/19/83/43/181198343.db2.gz ANZMIQJRYNLILD-UHFFFAOYSA-N 2 2 207.281 0.550 20 0 BCADLP C[NH2+][C@H](C)C[NH2+]Cc1cnc2n[nH]c(C)c2c1 ZINC000414976315 191639001 /nfs/dbraw/zinc/63/90/01/191639001.db2.gz PIIPXLCDOYRRRS-MRVPVSSYSA-N 2 2 233.319 0.964 20 0 BCADLP CCn1c[nH+]cc1CN1CC[N@H+](C)C[C@@H]1CO ZINC000639333008 355761730 /nfs/dbraw/zinc/76/17/30/355761730.db2.gz FFHJHLMOLWVIDE-GFCCVEGCSA-N 2 2 238.335 0.011 20 0 BCADLP CCn1c[nH+]cc1CN1CC[N@@H+](C)C[C@@H]1CO ZINC000639333008 355761734 /nfs/dbraw/zinc/76/17/34/355761734.db2.gz FFHJHLMOLWVIDE-GFCCVEGCSA-N 2 2 238.335 0.011 20 0 BCADLP Cn1ncnc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000639346260 355792566 /nfs/dbraw/zinc/79/25/66/355792566.db2.gz FXPPHHXXIBZYBK-NSHDSACASA-N 2 2 237.351 0.637 20 0 BCADLP Cn1ncnc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000639346260 355792569 /nfs/dbraw/zinc/79/25/69/355792569.db2.gz FXPPHHXXIBZYBK-NSHDSACASA-N 2 2 237.351 0.637 20 0 BCADLP CCOC1CC(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000639354521 355804858 /nfs/dbraw/zinc/80/48/58/355804858.db2.gz ISOQYDMWSUVBMV-OTTFEQOBSA-N 2 2 242.363 0.458 20 0 BCADLP CCOC1CC(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000639354521 355804860 /nfs/dbraw/zinc/80/48/60/355804860.db2.gz ISOQYDMWSUVBMV-OTTFEQOBSA-N 2 2 242.363 0.458 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+]CCC[C@H]2CCO2)C1 ZINC000639354306 355805846 /nfs/dbraw/zinc/80/58/46/355805846.db2.gz GMNYIFCWPMNRDA-NEPJUHHUSA-N 2 2 228.336 0.212 20 0 BCADLP O[C@@H]1CC[N@@H+](CC[NH2+]CCC[C@H]2CCO2)C1 ZINC000639354306 355805852 /nfs/dbraw/zinc/80/58/52/355805852.db2.gz GMNYIFCWPMNRDA-NEPJUHHUSA-N 2 2 228.336 0.212 20 0 BCADLP C[C@@H]1CC[C@H](NCc2[nH+]ccn2C)C[NH2+]1 ZINC000398958583 355805982 /nfs/dbraw/zinc/80/59/82/355805982.db2.gz KLDSKFQVUAMSNC-ZJUUUORDSA-N 2 2 208.309 0.650 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639355536 355809927 /nfs/dbraw/zinc/80/99/27/355809927.db2.gz UXJWXOBNWOXIOQ-YVECIDJPSA-N 2 2 224.348 0.689 20 0 BCADLP O[C@@H]1CC[N@@H+](CC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639355536 355809930 /nfs/dbraw/zinc/80/99/30/355809930.db2.gz UXJWXOBNWOXIOQ-YVECIDJPSA-N 2 2 224.348 0.689 20 0 BCADLP Cc1ccc(CCC[NH+](CCO)CCO)c[nH+]1 ZINC000628369801 355878526 /nfs/dbraw/zinc/87/85/26/355878526.db2.gz BMESOFSRQXQUOD-UHFFFAOYSA-N 2 2 238.331 0.609 20 0 BCADLP O=C(NC[C@H]1CCC[NH2+]C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000336031413 134058138 /nfs/dbraw/zinc/05/81/38/134058138.db2.gz BIZLLANXHHHGDO-IUCAKERBSA-N 2 2 247.289 0.099 20 0 BCADLP [NH3+]C[C@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000336031450 134058471 /nfs/dbraw/zinc/05/84/71/134058471.db2.gz JCALNLZFCOZWPC-BDAKNGLRSA-N 2 2 247.289 0.181 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000351497712 356003371 /nfs/dbraw/zinc/00/33/71/356003371.db2.gz GTPNKWCWWSQSEL-GFCCVEGCSA-N 2 2 241.379 0.737 20 0 BCADLP NC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000372588904 181230534 /nfs/dbraw/zinc/23/05/34/181230534.db2.gz YINGZQBHOOXVHC-GFCCVEGCSA-N 2 2 239.363 0.670 20 0 BCADLP NC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000372588904 181230536 /nfs/dbraw/zinc/23/05/36/181230536.db2.gz YINGZQBHOOXVHC-GFCCVEGCSA-N 2 2 239.363 0.670 20 0 BCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623257768 356027216 /nfs/dbraw/zinc/02/72/16/356027216.db2.gz UMABBWWIWAPFMC-SNVBAGLBSA-N 2 2 245.286 0.129 20 0 BCADLP c1cn(CCC[N@@H+]2CCc3nn[nH]c3C2)c[nH+]1 ZINC000351614364 356028680 /nfs/dbraw/zinc/02/86/80/356028680.db2.gz GMNVSKBYNOPHGY-UHFFFAOYSA-N 2 2 232.291 0.450 20 0 BCADLP c1cn(CCC[N@H+]2CCc3nn[nH]c3C2)c[nH+]1 ZINC000351614364 356028684 /nfs/dbraw/zinc/02/86/84/356028684.db2.gz GMNVSKBYNOPHGY-UHFFFAOYSA-N 2 2 232.291 0.450 20 0 BCADLP C[C@H]1CN(c2nc[nH+]c(N)c2Cl)CC[NH2+]1 ZINC000420244116 192185141 /nfs/dbraw/zinc/18/51/41/192185141.db2.gz XOXRKYNBSIFJFO-LURJTMIESA-N 2 2 227.699 0.510 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420297970 192204467 /nfs/dbraw/zinc/20/44/67/192204467.db2.gz ZIOLSMWWBRCUER-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420297970 192204469 /nfs/dbraw/zinc/20/44/69/192204469.db2.gz ZIOLSMWWBRCUER-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)[C@H]1CCOC1 ZINC000639481846 356297013 /nfs/dbraw/zinc/29/70/13/356297013.db2.gz GFOBHZNGVDYHHI-NSHDSACASA-N 2 2 209.293 0.683 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@H]1CCOC1 ZINC000639481846 356297017 /nfs/dbraw/zinc/29/70/17/356297017.db2.gz GFOBHZNGVDYHHI-NSHDSACASA-N 2 2 209.293 0.683 20 0 BCADLP C[NH2+][C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420274976 192198313 /nfs/dbraw/zinc/19/83/13/192198313.db2.gz PPKSBFKVDHUDNY-NEPJUHHUSA-N 3 2 211.353 0.670 20 0 BCADLP C[NH2+][C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420274976 192198315 /nfs/dbraw/zinc/19/83/15/192198315.db2.gz PPKSBFKVDHUDNY-NEPJUHHUSA-N 3 2 211.353 0.670 20 0 BCADLP CCc1nnc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)[nH]1 ZINC000333826747 356309238 /nfs/dbraw/zinc/30/92/38/356309238.db2.gz LSOKWXLFNYZNHC-NXEZZACHSA-N 2 2 237.351 0.845 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)CC(C)(C)O ZINC000639490953 356309252 /nfs/dbraw/zinc/30/92/52/356309252.db2.gz WUFGAIKWGQEQHW-UHFFFAOYSA-N 2 2 211.309 0.665 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)CC(C)(C)O ZINC000639490953 356309253 /nfs/dbraw/zinc/30/92/53/356309253.db2.gz WUFGAIKWGQEQHW-UHFFFAOYSA-N 2 2 211.309 0.665 20 0 BCADLP CCc1nnc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)[nH]1 ZINC000333826748 356309429 /nfs/dbraw/zinc/30/94/29/356309429.db2.gz LSOKWXLFNYZNHC-UWVGGRQHSA-N 2 2 237.351 0.845 20 0 BCADLP CCOC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000420283302 192200254 /nfs/dbraw/zinc/20/02/54/192200254.db2.gz BXEQSQINQQRIJN-GHMZBOCLSA-N 2 2 228.336 0.999 20 0 BCADLP CCOC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000420283302 192200256 /nfs/dbraw/zinc/20/02/56/192200256.db2.gz BXEQSQINQQRIJN-GHMZBOCLSA-N 2 2 228.336 0.999 20 0 BCADLP COC(=O)CC1(C[N@@H+]2CCC[C@H]2C[NH3+])CC1 ZINC000420289235 192200742 /nfs/dbraw/zinc/20/07/42/192200742.db2.gz JXJUILCWBSDABH-JTQLQIEISA-N 2 2 226.320 0.753 20 0 BCADLP COC(=O)CC1(C[N@H+]2CCC[C@H]2C[NH3+])CC1 ZINC000420289235 192200744 /nfs/dbraw/zinc/20/07/44/192200744.db2.gz JXJUILCWBSDABH-JTQLQIEISA-N 2 2 226.320 0.753 20 0 BCADLP C[C@H](CCNC(=O)Cc1c[nH+]cn1C)[NH+](C)C ZINC000617758552 356314662 /nfs/dbraw/zinc/31/46/62/356314662.db2.gz RSZYKOXGLYQUKX-SNVBAGLBSA-N 2 2 238.335 0.419 20 0 BCADLP NC(=O)[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1 ZINC000342143347 181264896 /nfs/dbraw/zinc/26/48/96/181264896.db2.gz SOMSMLQHXDNTQW-NSHDSACASA-N 2 2 233.315 0.684 20 0 BCADLP COC(=O)[C@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000420356770 192218912 /nfs/dbraw/zinc/21/89/12/192218912.db2.gz HBLVZSMGCVCLAH-BDAKNGLRSA-N 2 2 200.282 0.219 20 0 BCADLP COC(=O)[C@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000420356770 192218915 /nfs/dbraw/zinc/21/89/15/192218915.db2.gz HBLVZSMGCVCLAH-BDAKNGLRSA-N 2 2 200.282 0.219 20 0 BCADLP C[NH2+]CC[N@H+](C)CCC(=O)NC1CCCC1 ZINC000420340435 192216385 /nfs/dbraw/zinc/21/63/85/192216385.db2.gz RZXBNIXEWLUTEE-UHFFFAOYSA-N 2 2 227.352 0.587 20 0 BCADLP C[NH2+]CC[N@@H+](C)CCC(=O)NC1CCCC1 ZINC000420340435 192216387 /nfs/dbraw/zinc/21/63/87/192216387.db2.gz RZXBNIXEWLUTEE-UHFFFAOYSA-N 2 2 227.352 0.587 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](CC[C@H]2CCCCO2)CCO1 ZINC000420304793 192209796 /nfs/dbraw/zinc/20/97/96/192209796.db2.gz JCUXAMGSJXYBOX-NEPJUHHUSA-N 2 2 228.336 0.605 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](CC[C@H]2CCCCO2)CCO1 ZINC000420304793 192209798 /nfs/dbraw/zinc/20/97/98/192209798.db2.gz JCUXAMGSJXYBOX-NEPJUHHUSA-N 2 2 228.336 0.605 20 0 BCADLP C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000420369375 192225995 /nfs/dbraw/zinc/22/59/95/192225995.db2.gz ITDAKZRLBGEOGP-MNOVXSKESA-N 2 2 216.325 0.332 20 0 BCADLP C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000420369375 192225997 /nfs/dbraw/zinc/22/59/97/192225997.db2.gz ITDAKZRLBGEOGP-MNOVXSKESA-N 2 2 216.325 0.332 20 0 BCADLP CC[C@H](C)NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420370454 192227145 /nfs/dbraw/zinc/22/71/45/192227145.db2.gz VTVRHRQONSIUGT-UWVGGRQHSA-N 2 2 229.368 0.864 20 0 BCADLP C[C@@H]1C[N@H+](CCN(C)[C@H](C[NH3+])C2CC2)CCO1 ZINC000420323016 192227749 /nfs/dbraw/zinc/22/77/49/192227749.db2.gz XNNDPLUCLDFREE-DGCLKSJQSA-N 2 2 241.379 0.376 20 0 BCADLP C[C@@H]1C[N@@H+](CCN(C)[C@H](C[NH3+])C2CC2)CCO1 ZINC000420323016 192227752 /nfs/dbraw/zinc/22/77/52/192227752.db2.gz XNNDPLUCLDFREE-DGCLKSJQSA-N 2 2 241.379 0.376 20 0 BCADLP C[C@@H]1CN(CC[N@H+](C)[C@H](C[NH3+])C2CC2)CCO1 ZINC000420323016 192227755 /nfs/dbraw/zinc/22/77/55/192227755.db2.gz XNNDPLUCLDFREE-DGCLKSJQSA-N 2 2 241.379 0.376 20 0 BCADLP C[C@@H]1CN(CC[N@@H+](C)[C@H](C[NH3+])C2CC2)CCO1 ZINC000420323016 192227759 /nfs/dbraw/zinc/22/77/59/192227759.db2.gz XNNDPLUCLDFREE-DGCLKSJQSA-N 2 2 241.379 0.376 20 0 BCADLP CCOC(=O)CC[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420321801 192227918 /nfs/dbraw/zinc/22/79/18/192227918.db2.gz RSJOQNOUOXYXKC-LLVKDONJSA-N 2 2 226.320 0.766 20 0 BCADLP CCOC(=O)CC[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420321801 192227920 /nfs/dbraw/zinc/22/79/20/192227920.db2.gz RSJOQNOUOXYXKC-LLVKDONJSA-N 2 2 226.320 0.766 20 0 BCADLP NC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCC[NH3+] ZINC000420324490 192229688 /nfs/dbraw/zinc/22/96/88/192229688.db2.gz VMBAUPPBTFLICG-GFCCVEGCSA-N 2 2 233.315 0.247 20 0 BCADLP NC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCC[NH3+] ZINC000420324490 192229691 /nfs/dbraw/zinc/22/96/91/192229691.db2.gz VMBAUPPBTFLICG-GFCCVEGCSA-N 2 2 233.315 0.247 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420358159 192219182 /nfs/dbraw/zinc/21/91/82/192219182.db2.gz FBCZPOZVDBOEOD-GFCCVEGCSA-N 3 2 211.353 0.671 20 0 BCADLP C[NH2+]CCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420358159 192219186 /nfs/dbraw/zinc/21/91/86/192219186.db2.gz FBCZPOZVDBOEOD-GFCCVEGCSA-N 3 2 211.353 0.671 20 0 BCADLP CC(C)N(C)C(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420354778 192220088 /nfs/dbraw/zinc/22/00/88/192220088.db2.gz BMOMSEWZUSRWER-NTZNESFSSA-N 2 2 241.379 0.829 20 0 BCADLP CCNC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420356685 192220204 /nfs/dbraw/zinc/22/02/04/192220204.db2.gz CXHQBTDBODCSIT-NSHDSACASA-N 2 2 227.352 0.620 20 0 BCADLP CC(C)N(C)C(=O)C[NH2+][C@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420354780 192220524 /nfs/dbraw/zinc/22/05/24/192220524.db2.gz BMOMSEWZUSRWER-WZRBSPASSA-N 2 2 241.379 0.829 20 0 BCADLP COC(=O)[C@@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000420356771 192220625 /nfs/dbraw/zinc/22/06/25/192220625.db2.gz HBLVZSMGCVCLAH-DTWKUNHWSA-N 2 2 200.282 0.219 20 0 BCADLP COC(=O)[C@@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000420356771 192220627 /nfs/dbraw/zinc/22/06/27/192220627.db2.gz HBLVZSMGCVCLAH-DTWKUNHWSA-N 2 2 200.282 0.219 20 0 BCADLP CN(C(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)C1CC1 ZINC000420362418 192221918 /nfs/dbraw/zinc/22/19/18/192221918.db2.gz NFWKDWJVFBJAAX-SNVBAGLBSA-N 2 2 227.352 0.570 20 0 BCADLP C[N@H+](CCC[NH+]1CCCCC1)C[C@@H](O)C[NH3+] ZINC000420361545 192222169 /nfs/dbraw/zinc/22/21/69/192222169.db2.gz YIJVRNQBHHSROJ-LBPRGKRZSA-N 3 2 229.368 0.114 20 0 BCADLP C[N@@H+](CCC[NH+]1CCCCC1)C[C@@H](O)C[NH3+] ZINC000420361545 192222172 /nfs/dbraw/zinc/22/21/72/192222172.db2.gz YIJVRNQBHHSROJ-LBPRGKRZSA-N 3 2 229.368 0.114 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)N(C)C ZINC000420360692 192222282 /nfs/dbraw/zinc/22/22/82/192222282.db2.gz HIJFKLNPDXYMJH-KKZNHRDASA-N 2 2 213.325 0.051 20 0 BCADLP CN(C(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)C1CC1 ZINC000420362416 192222305 /nfs/dbraw/zinc/22/23/05/192222305.db2.gz NFWKDWJVFBJAAX-JTQLQIEISA-N 2 2 227.352 0.570 20 0 BCADLP CC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000639543621 356402131 /nfs/dbraw/zinc/40/21/31/356402131.db2.gz LJGRGMPLABKOGR-RWMBFGLXSA-N 2 2 240.347 0.759 20 0 BCADLP CC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000639543621 356402132 /nfs/dbraw/zinc/40/21/32/356402132.db2.gz LJGRGMPLABKOGR-RWMBFGLXSA-N 2 2 240.347 0.759 20 0 BCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000420375341 192231648 /nfs/dbraw/zinc/23/16/48/192231648.db2.gz SURGFAYAFLUZPD-SCVCMEIPSA-N 2 2 222.336 0.896 20 0 BCADLP CCCC[C@@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000041051054 358504891 /nfs/dbraw/zinc/50/48/91/358504891.db2.gz VJLSANSKAFADJP-SNVBAGLBSA-N 2 2 224.308 0.517 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@](C)(O)C1 ZINC000639553697 356455063 /nfs/dbraw/zinc/45/50/63/356455063.db2.gz HVXZMXDDFILBMR-LBPRGKRZSA-N 2 2 223.320 0.809 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@](C)(O)C1 ZINC000639553697 356455065 /nfs/dbraw/zinc/45/50/65/356455065.db2.gz HVXZMXDDFILBMR-LBPRGKRZSA-N 2 2 223.320 0.809 20 0 BCADLP CC[C@@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@H]1O ZINC000639554576 356456173 /nfs/dbraw/zinc/45/61/73/356456173.db2.gz LIWKAELTFPHAHU-ZYHUDNBSSA-N 2 2 223.320 0.665 20 0 BCADLP CC[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@H]1O ZINC000639554576 356456176 /nfs/dbraw/zinc/45/61/76/356456176.db2.gz LIWKAELTFPHAHU-ZYHUDNBSSA-N 2 2 223.320 0.665 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCSC[C@H]1CO ZINC000639556791 356461052 /nfs/dbraw/zinc/46/10/52/356461052.db2.gz QNPUPTSIQOXLIM-LLVKDONJSA-N 2 2 241.360 0.372 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCSC[C@H]1CO ZINC000639556791 356461054 /nfs/dbraw/zinc/46/10/54/356461054.db2.gz QNPUPTSIQOXLIM-LLVKDONJSA-N 2 2 241.360 0.372 20 0 BCADLP C[C@H]1CC(=O)NCC[N@@H+]1CCc1c[nH+]cn1C ZINC000639552059 356439863 /nfs/dbraw/zinc/43/98/63/356439863.db2.gz XJIWPBDROYYGKH-JTQLQIEISA-N 2 2 236.319 0.173 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000019843083 356486242 /nfs/dbraw/zinc/48/62/42/356486242.db2.gz DSPWPBZIQUAQBV-NSHDSACASA-N 2 2 227.352 0.429 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000019843083 356486245 /nfs/dbraw/zinc/48/62/45/356486245.db2.gz DSPWPBZIQUAQBV-NSHDSACASA-N 2 2 227.352 0.429 20 0 BCADLP CC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000639569220 356492418 /nfs/dbraw/zinc/49/24/18/356492418.db2.gz UFQKGGAMCLSYFM-JTQLQIEISA-N 2 2 207.277 0.798 20 0 BCADLP CC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000639569220 356492422 /nfs/dbraw/zinc/49/24/22/356492422.db2.gz UFQKGGAMCLSYFM-JTQLQIEISA-N 2 2 207.277 0.798 20 0 BCADLP CC[N@H+](CCc1c[nH+]cn1C)Cc1cn(C)nn1 ZINC000639597533 356516317 /nfs/dbraw/zinc/51/63/17/356516317.db2.gz LJDFXRFMIYBFAE-UHFFFAOYSA-N 2 2 248.334 0.613 20 0 BCADLP CC[N@@H+](CCc1c[nH+]cn1C)Cc1cn(C)nn1 ZINC000639597533 356516321 /nfs/dbraw/zinc/51/63/21/356516321.db2.gz LJDFXRFMIYBFAE-UHFFFAOYSA-N 2 2 248.334 0.613 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1CCO ZINC000639600244 356519069 /nfs/dbraw/zinc/51/90/69/356519069.db2.gz WYYPOWGHIBDSGD-LLVKDONJSA-N 2 2 223.320 0.809 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1CCO ZINC000639600244 356519072 /nfs/dbraw/zinc/51/90/72/356519072.db2.gz WYYPOWGHIBDSGD-LLVKDONJSA-N 2 2 223.320 0.809 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1CCO ZINC000639600245 356519099 /nfs/dbraw/zinc/51/90/99/356519099.db2.gz WYYPOWGHIBDSGD-NSHDSACASA-N 2 2 223.320 0.809 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1CCO ZINC000639600245 356519101 /nfs/dbraw/zinc/51/91/01/356519101.db2.gz WYYPOWGHIBDSGD-NSHDSACASA-N 2 2 223.320 0.809 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)CC1(CO)CC1 ZINC000639602938 356519234 /nfs/dbraw/zinc/51/92/34/356519234.db2.gz CCKJULSDLGMFPU-UHFFFAOYSA-N 2 2 223.320 0.667 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)CC1(CO)CC1 ZINC000639602938 356519236 /nfs/dbraw/zinc/51/92/36/356519236.db2.gz CCKJULSDLGMFPU-UHFFFAOYSA-N 2 2 223.320 0.667 20 0 BCADLP CC[N@H+](CCOCCO)CCc1c[nH+]cn1C ZINC000639625892 356540118 /nfs/dbraw/zinc/54/01/18/356540118.db2.gz GOGDGRXTCJNMRZ-UHFFFAOYSA-N 2 2 241.335 0.293 20 0 BCADLP CC[N@@H+](CCOCCO)CCc1c[nH+]cn1C ZINC000639625892 356540122 /nfs/dbraw/zinc/54/01/22/356540122.db2.gz GOGDGRXTCJNMRZ-UHFFFAOYSA-N 2 2 241.335 0.293 20 0 BCADLP CN(CC[NH+]1CCOCC1)C[C@@H]1CCC[N@@H+]1C ZINC000420993834 192291905 /nfs/dbraw/zinc/29/19/05/192291905.db2.gz BJXPDGNCZFYQJY-ZDUSSCGKSA-N 2 2 241.379 0.345 20 0 BCADLP CN(CC[NH+]1CCOCC1)C[C@@H]1CCC[N@H+]1C ZINC000420993834 192291907 /nfs/dbraw/zinc/29/19/07/192291907.db2.gz BJXPDGNCZFYQJY-ZDUSSCGKSA-N 2 2 241.379 0.345 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000639622260 356542229 /nfs/dbraw/zinc/54/22/29/356542229.db2.gz ZFDRHLRQHNFEQW-GFCCVEGCSA-N 2 2 236.319 0.160 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000639622260 356542233 /nfs/dbraw/zinc/54/22/33/356542233.db2.gz ZFDRHLRQHNFEQW-GFCCVEGCSA-N 2 2 236.319 0.160 20 0 BCADLP CCc1cc(NC[C@](C)(O)C[NH+](C)C)nc[nH+]1 ZINC000228669921 491096793 /nfs/dbraw/zinc/09/67/93/491096793.db2.gz UDNIFLURZURTNE-LBPRGKRZSA-N 2 2 238.335 0.764 20 0 BCADLP C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)[C@H](C)[NH3+] ZINC000336212059 134134542 /nfs/dbraw/zinc/13/45/42/134134542.db2.gz FHCJAFXJFAHZOZ-DTWKUNHWSA-N 2 2 232.287 0.800 20 0 BCADLP CNC(=O)[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639673545 356590544 /nfs/dbraw/zinc/59/05/44/356590544.db2.gz FFSIFZZYHGMIKH-JTQLQIEISA-N 2 2 236.319 0.031 20 0 BCADLP CNC(=O)[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639673545 356590546 /nfs/dbraw/zinc/59/05/46/356590546.db2.gz FFSIFZZYHGMIKH-JTQLQIEISA-N 2 2 236.319 0.031 20 0 BCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000623300984 356575941 /nfs/dbraw/zinc/57/59/41/356575941.db2.gz BEFIHWAKCYPQSS-MNOVXSKESA-N 2 2 248.330 0.266 20 0 BCADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000623300984 356575943 /nfs/dbraw/zinc/57/59/43/356575943.db2.gz BEFIHWAKCYPQSS-MNOVXSKESA-N 2 2 248.330 0.266 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000423135728 192581283 /nfs/dbraw/zinc/58/12/83/192581283.db2.gz GJIOUQWIQSFBDN-KKOKHZNYSA-N 2 2 230.352 0.766 20 0 BCADLP C[NH2+]CCC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000578190998 366375934 /nfs/dbraw/zinc/37/59/34/366375934.db2.gz LRXBXVZDXWMCEZ-SNVBAGLBSA-N 2 2 224.308 0.833 20 0 BCADLP CC[C@@H]([NH2+][C@H]1CC(=O)N(CC)C1)[C@@H]1CCC[NH2+]1 ZINC000423160611 192596777 /nfs/dbraw/zinc/59/67/77/192596777.db2.gz ZWSSHLVEVTYIOM-TUAOUCFPSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CCO1 ZINC000623758551 356813958 /nfs/dbraw/zinc/81/39/58/356813958.db2.gz GLRLQOVJDAVGNG-QJPTWQEYSA-N 2 2 228.336 0.210 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)CCO1 ZINC000623758551 356813960 /nfs/dbraw/zinc/81/39/60/356813960.db2.gz GLRLQOVJDAVGNG-QJPTWQEYSA-N 2 2 228.336 0.210 20 0 BCADLP CC[C@H](C)C[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000623758780 356816201 /nfs/dbraw/zinc/81/62/01/356816201.db2.gz OMCFCSFIMYMWML-WDEREUQCSA-N 2 2 200.326 0.689 20 0 BCADLP CC[C@H](C)C[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000623758780 356816207 /nfs/dbraw/zinc/81/62/07/356816207.db2.gz OMCFCSFIMYMWML-WDEREUQCSA-N 2 2 200.326 0.689 20 0 BCADLP CC[C@@H](C)C[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000623758779 356816622 /nfs/dbraw/zinc/81/66/22/356816622.db2.gz OMCFCSFIMYMWML-GHMZBOCLSA-N 2 2 200.326 0.689 20 0 BCADLP CC[C@@H](C)C[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000623758779 356816624 /nfs/dbraw/zinc/81/66/24/356816624.db2.gz OMCFCSFIMYMWML-GHMZBOCLSA-N 2 2 200.326 0.689 20 0 BCADLP CCNC(=O)C[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000155678171 538725895 /nfs/dbraw/zinc/72/58/95/538725895.db2.gz PMZUOERNNMFSAL-UHFFFAOYSA-N 2 2 246.314 0.868 20 0 BCADLP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360814707 356911731 /nfs/dbraw/zinc/91/17/31/356911731.db2.gz CXMWJLRCRMUPDS-DTWKUNHWSA-N 2 2 249.305 0.617 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCOC1 ZINC000389611405 357002827 /nfs/dbraw/zinc/00/28/27/357002827.db2.gz BDZGNAZDUBFPQI-QWRGUYRKSA-N 2 2 216.325 0.020 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCOC1 ZINC000389611405 357002829 /nfs/dbraw/zinc/00/28/29/357002829.db2.gz BDZGNAZDUBFPQI-QWRGUYRKSA-N 2 2 216.325 0.020 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCOC1 ZINC000389611405 357002832 /nfs/dbraw/zinc/00/28/32/357002832.db2.gz BDZGNAZDUBFPQI-QWRGUYRKSA-N 2 2 216.325 0.020 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCOC1 ZINC000389611405 357002834 /nfs/dbraw/zinc/00/28/34/357002834.db2.gz BDZGNAZDUBFPQI-QWRGUYRKSA-N 2 2 216.325 0.020 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCOC1 ZINC000389611403 357003168 /nfs/dbraw/zinc/00/31/68/357003168.db2.gz BDZGNAZDUBFPQI-GHMZBOCLSA-N 2 2 216.325 0.020 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCOC1 ZINC000389611403 357003169 /nfs/dbraw/zinc/00/31/69/357003169.db2.gz BDZGNAZDUBFPQI-GHMZBOCLSA-N 2 2 216.325 0.020 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCOC1 ZINC000389611403 357003173 /nfs/dbraw/zinc/00/31/73/357003173.db2.gz BDZGNAZDUBFPQI-GHMZBOCLSA-N 2 2 216.325 0.020 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCOC1 ZINC000389611403 357003175 /nfs/dbraw/zinc/00/31/75/357003175.db2.gz BDZGNAZDUBFPQI-GHMZBOCLSA-N 2 2 216.325 0.020 20 0 BCADLP CC[NH+]1CCC([N@H+](CC(N)=O)C2CC2)CC1 ZINC000372368582 357074466 /nfs/dbraw/zinc/07/44/66/357074466.db2.gz JXWYBSZUDPQBTQ-UHFFFAOYSA-N 2 2 225.336 0.420 20 0 BCADLP CC[NH+]1CCC([N@@H+](CC(N)=O)C2CC2)CC1 ZINC000372368582 357074470 /nfs/dbraw/zinc/07/44/70/357074470.db2.gz JXWYBSZUDPQBTQ-UHFFFAOYSA-N 2 2 225.336 0.420 20 0 BCADLP CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C(C)C ZINC000390460215 357094474 /nfs/dbraw/zinc/09/44/74/357094474.db2.gz BVYMAYRRBCPIAW-GFCCVEGCSA-N 2 2 232.368 0.656 20 0 BCADLP CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C(C)C ZINC000390460215 357094476 /nfs/dbraw/zinc/09/44/76/357094476.db2.gz BVYMAYRRBCPIAW-GFCCVEGCSA-N 2 2 232.368 0.656 20 0 BCADLP CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C(C)C ZINC000390460215 357094481 /nfs/dbraw/zinc/09/44/81/357094481.db2.gz BVYMAYRRBCPIAW-GFCCVEGCSA-N 2 2 232.368 0.656 20 0 BCADLP CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C(C)C ZINC000390460215 357094484 /nfs/dbraw/zinc/09/44/84/357094484.db2.gz BVYMAYRRBCPIAW-GFCCVEGCSA-N 2 2 232.368 0.656 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]1C1CC1 ZINC000582431065 357147568 /nfs/dbraw/zinc/14/75/68/357147568.db2.gz RDRUFBLOLQPGFY-CHWSQXEVSA-N 2 2 242.363 0.410 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]1C1CC1 ZINC000582431065 357147572 /nfs/dbraw/zinc/14/75/72/357147572.db2.gz RDRUFBLOLQPGFY-CHWSQXEVSA-N 2 2 242.363 0.410 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H]1C1CC1 ZINC000582431065 357147577 /nfs/dbraw/zinc/14/75/77/357147577.db2.gz RDRUFBLOLQPGFY-CHWSQXEVSA-N 2 2 242.363 0.410 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H]1C1CC1 ZINC000582431065 357147581 /nfs/dbraw/zinc/14/75/81/357147581.db2.gz RDRUFBLOLQPGFY-CHWSQXEVSA-N 2 2 242.363 0.410 20 0 BCADLP COCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000582434378 357150689 /nfs/dbraw/zinc/15/06/89/357150689.db2.gz SKHFTEPAPLDLKU-JTQLQIEISA-N 2 2 209.293 0.856 20 0 BCADLP COCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000582434378 357150694 /nfs/dbraw/zinc/15/06/94/357150694.db2.gz SKHFTEPAPLDLKU-JTQLQIEISA-N 2 2 209.293 0.856 20 0 BCADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)n1C ZINC000628410734 357216878 /nfs/dbraw/zinc/21/68/78/357216878.db2.gz QTLJSUUXWBYLOL-AOOOYVTPSA-N 2 2 220.320 0.938 20 0 BCADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)n1C ZINC000628410734 357216881 /nfs/dbraw/zinc/21/68/81/357216881.db2.gz QTLJSUUXWBYLOL-AOOOYVTPSA-N 2 2 220.320 0.938 20 0 BCADLP Cc1ccc([C@H]([NH3+])c2nc(C[NH3+])no2)cc1 ZINC000582545901 357332071 /nfs/dbraw/zinc/33/20/71/357332071.db2.gz NXOLKRPDEXDGAD-JTQLQIEISA-N 2 2 218.260 0.885 20 0 BCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH+]1CCC1 ZINC000582674314 357361630 /nfs/dbraw/zinc/36/16/30/357361630.db2.gz JNPDHMCSSZKVFW-SNVBAGLBSA-N 2 2 236.319 0.410 20 0 BCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH+]1CCC1 ZINC000582674314 357361633 /nfs/dbraw/zinc/36/16/33/357361633.db2.gz JNPDHMCSSZKVFW-SNVBAGLBSA-N 2 2 236.319 0.410 20 0 BCADLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623408515 357405672 /nfs/dbraw/zinc/40/56/72/357405672.db2.gz YVTXJHWIHXAAGY-NEPJUHHUSA-N 3 2 243.395 0.371 20 0 BCADLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623408515 357405673 /nfs/dbraw/zinc/40/56/73/357405673.db2.gz YVTXJHWIHXAAGY-NEPJUHHUSA-N 3 2 243.395 0.371 20 0 BCADLP Cn1ncnc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000582847861 357417910 /nfs/dbraw/zinc/41/79/10/357417910.db2.gz AOLJRXSCKCCKKV-RYUDHWBXSA-N 2 2 249.362 0.779 20 0 BCADLP Cn1ncnc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000582847861 357417916 /nfs/dbraw/zinc/41/79/16/357417916.db2.gz AOLJRXSCKCCKKV-RYUDHWBXSA-N 2 2 249.362 0.779 20 0 BCADLP Cn1ncnc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000582847859 357418338 /nfs/dbraw/zinc/41/83/38/357418338.db2.gz AOLJRXSCKCCKKV-NEPJUHHUSA-N 2 2 249.362 0.779 20 0 BCADLP Cn1ncnc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000582847859 357418341 /nfs/dbraw/zinc/41/83/41/357418341.db2.gz AOLJRXSCKCCKKV-NEPJUHHUSA-N 2 2 249.362 0.779 20 0 BCADLP C[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000131573891 325165541 /nfs/dbraw/zinc/16/55/41/325165541.db2.gz ZNPBTULLWLXHEL-GFCCVEGCSA-N 2 2 239.363 0.635 20 0 BCADLP C[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000131573891 325165542 /nfs/dbraw/zinc/16/55/42/325165542.db2.gz ZNPBTULLWLXHEL-GFCCVEGCSA-N 2 2 239.363 0.635 20 0 BCADLP CC[C@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000582960053 357438100 /nfs/dbraw/zinc/43/81/00/357438100.db2.gz YAHBQYKKXVPBOR-NEPJUHHUSA-N 2 2 230.352 0.315 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1scnc1C ZINC000582970361 357448148 /nfs/dbraw/zinc/44/81/48/357448148.db2.gz NHPQYKRGHHBPGS-LLVKDONJSA-N 2 2 243.376 0.854 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1scnc1C ZINC000582970361 357448152 /nfs/dbraw/zinc/44/81/52/357448152.db2.gz NHPQYKRGHHBPGS-LLVKDONJSA-N 2 2 243.376 0.854 20 0 BCADLP OC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000063219071 357595135 /nfs/dbraw/zinc/59/51/35/357595135.db2.gz BOOPVYKMVWACQB-UONOGXRCSA-N 2 2 234.343 0.932 20 0 BCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC1(O)CCC1 ZINC000397628272 357616140 /nfs/dbraw/zinc/61/61/40/357616140.db2.gz LAEUNAHMKHZQQK-NWDGAFQWSA-N 2 2 242.363 0.648 20 0 BCADLP CC[NH2+]CCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659515361 491113385 /nfs/dbraw/zinc/11/33/85/491113385.db2.gz SHEGWMDIPMNSOG-VIFPVBQESA-N 2 2 239.323 0.390 20 0 BCADLP C[C@H]1C(=O)NCCC[N@H+]1CCC[NH+]1CCCC1 ZINC000189329073 357632871 /nfs/dbraw/zinc/63/28/71/357632871.db2.gz VQSJTMISANOECM-LBPRGKRZSA-N 2 2 239.363 0.683 20 0 BCADLP C[C@H]1C(=O)NCCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000189329073 357632875 /nfs/dbraw/zinc/63/28/75/357632875.db2.gz VQSJTMISANOECM-LBPRGKRZSA-N 2 2 239.363 0.683 20 0 BCADLP C[NH2+]C[C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000583270587 357776475 /nfs/dbraw/zinc/77/64/75/357776475.db2.gz ZSNGGFSHFGYJLB-GHMZBOCLSA-N 2 2 238.335 0.806 20 0 BCADLP C[C@@H](O)C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000192972148 357861889 /nfs/dbraw/zinc/86/18/89/357861889.db2.gz LJNUVRDMNAMYFZ-NEPJUHHUSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H](O)C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000192972148 357861892 /nfs/dbraw/zinc/86/18/92/357861892.db2.gz LJNUVRDMNAMYFZ-NEPJUHHUSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2nccn2C)C1 ZINC000168555122 134225991 /nfs/dbraw/zinc/22/59/91/134225991.db2.gz CHIYJLYQJNNKAA-ZJUUUORDSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC000168555122 134225992 /nfs/dbraw/zinc/22/59/92/134225992.db2.gz CHIYJLYQJNNKAA-ZJUUUORDSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC000168554832 134226176 /nfs/dbraw/zinc/22/61/76/134226176.db2.gz CHIYJLYQJNNKAA-VHSXEESVSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@H](CC(=O)N1CC[C@@H]([NH3+])C1)n1cc[nH+]c1 ZINC000583760393 357936711 /nfs/dbraw/zinc/93/67/11/357936711.db2.gz TZDWBYKTPZFWEH-NXEZZACHSA-N 2 2 222.292 0.394 20 0 BCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NCCn1cc[nH+]c1 ZINC000583810915 357955723 /nfs/dbraw/zinc/95/57/23/357955723.db2.gz PVMPLCOMERZTBY-VHSXEESVSA-N 2 2 239.323 0.308 20 0 BCADLP C([NH2+][C@H]1CCOC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000217749619 134249366 /nfs/dbraw/zinc/24/93/66/134249366.db2.gz MPKIYWLPICSMON-QJPTWQEYSA-N 2 2 226.320 0.228 20 0 BCADLP C([NH2+][C@H]1CCOC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000217749619 134249367 /nfs/dbraw/zinc/24/93/67/134249367.db2.gz MPKIYWLPICSMON-QJPTWQEYSA-N 2 2 226.320 0.228 20 0 BCADLP CCC1([NH+](C)C)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000640018157 358080941 /nfs/dbraw/zinc/08/09/41/358080941.db2.gz UKOOOHPSFANJHA-NSHDSACASA-N 2 2 239.363 0.681 20 0 BCADLP O=C(CC[NH2+]C1CC1)NCCCn1cc[nH+]c1 ZINC000037612154 358083672 /nfs/dbraw/zinc/08/36/72/358083672.db2.gz NGZOXBPQBXKEMF-UHFFFAOYSA-N 2 2 236.319 0.532 20 0 BCADLP CC(C)[NH2+]CCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000037618379 358084176 /nfs/dbraw/zinc/08/41/76/358084176.db2.gz RDGFJJFXWVBIDQ-NSHDSACASA-N 2 2 238.335 0.776 20 0 BCADLP C[C@@H]([NH3+])CCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000584589112 358103428 /nfs/dbraw/zinc/10/34/28/358103428.db2.gz ZARNILVDTMXNPG-LLVKDONJSA-N 2 2 238.335 0.859 20 0 BCADLP C[C@H](CC(=O)NC1CC[NH2+]CC1)n1cc[nH+]c1 ZINC000584656115 358120577 /nfs/dbraw/zinc/12/05/77/358120577.db2.gz GHDAEYYQIXGVMQ-SNVBAGLBSA-N 2 2 236.319 0.702 20 0 BCADLP C[C@@H](CC(=O)NC1CC[NH2+]CC1)n1cc[nH+]c1 ZINC000584656114 358120638 /nfs/dbraw/zinc/12/06/38/358120638.db2.gz GHDAEYYQIXGVMQ-JTQLQIEISA-N 2 2 236.319 0.702 20 0 BCADLP CCO[C@@H]1COC[C@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000584665878 358128970 /nfs/dbraw/zinc/12/89/70/358128970.db2.gz BYVKRSIQUOIHAJ-VXGBXAGGSA-N 2 2 239.319 0.622 20 0 BCADLP C[N@H+](CCCCF)CC(=O)N1CC[NH+](C)CC1 ZINC000640051516 358145705 /nfs/dbraw/zinc/14/57/05/358145705.db2.gz PDWTZKJHHBOLTJ-UHFFFAOYSA-N 2 2 245.342 0.442 20 0 BCADLP C[N@@H+](CCCCF)CC(=O)N1CC[NH+](C)CC1 ZINC000640051516 358145707 /nfs/dbraw/zinc/14/57/07/358145707.db2.gz PDWTZKJHHBOLTJ-UHFFFAOYSA-N 2 2 245.342 0.442 20 0 BCADLP O=C(Cn1cc[nH+]c1)NCC[NH+]1CCCCC1 ZINC000584754225 358168912 /nfs/dbraw/zinc/16/89/12/358168912.db2.gz AGUSYIUQXUOMMX-UHFFFAOYSA-N 2 2 236.319 0.485 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@]2(O)CCO[C@H]2C)n1C ZINC000578207178 366392496 /nfs/dbraw/zinc/39/24/96/366392496.db2.gz NCSHQKSEEOLAJW-JOYOIKCWSA-N 2 2 239.319 0.358 20 0 BCADLP C[N@@H+]1CCN(Cc2cccc(F)c2)[C@@H](C[NH3+])C1 ZINC000226617268 358341584 /nfs/dbraw/zinc/34/15/84/358341584.db2.gz ZWIWOYOLLHTMMQ-ZDUSSCGKSA-N 2 2 237.322 0.900 20 0 BCADLP C[N@H+]1CCN(Cc2cccc(F)c2)[C@@H](C[NH3+])C1 ZINC000226617268 358341587 /nfs/dbraw/zinc/34/15/87/358341587.db2.gz ZWIWOYOLLHTMMQ-ZDUSSCGKSA-N 2 2 237.322 0.900 20 0 BCADLP NC(=O)c1ccc(C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041064070 181296947 /nfs/dbraw/zinc/29/69/47/181296947.db2.gz MGVBKTZJCUWWHM-UHFFFAOYSA-N 2 2 244.298 0.772 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)OC)C1 ZINC000043628658 358384804 /nfs/dbraw/zinc/38/48/04/358384804.db2.gz XZOCPNWHAOHLRU-VHSXEESVSA-N 2 2 214.309 0.479 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)C(=O)OC)C1 ZINC000043628658 358384808 /nfs/dbraw/zinc/38/48/08/358384808.db2.gz XZOCPNWHAOHLRU-VHSXEESVSA-N 2 2 214.309 0.479 20 0 BCADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c(C)cn2C1)C(N)=O ZINC000112540194 358446668 /nfs/dbraw/zinc/44/66/68/358446668.db2.gz QCBCGRZEHCJTEJ-NXEZZACHSA-N 2 2 236.319 0.360 20 0 BCADLP Cn1nncc1C[NH2+]CCCn1cc[nH+]c1 ZINC000129677840 358592209 /nfs/dbraw/zinc/59/22/09/358592209.db2.gz RRADBDPXJLJVLE-UHFFFAOYSA-N 2 2 220.280 0.192 20 0 BCADLP CC[NH+]1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC000050393977 358726131 /nfs/dbraw/zinc/72/61/31/358726131.db2.gz LXLRDJYFQJUNBB-NSHDSACASA-N 2 2 225.336 0.339 20 0 BCADLP COC[C@H](C)[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000176018116 134290180 /nfs/dbraw/zinc/29/01/80/134290180.db2.gz DWYSWQIIEZHKRI-STQMWFEESA-N 2 2 244.379 0.968 20 0 BCADLP COC[C@H](C)[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000176018116 134290181 /nfs/dbraw/zinc/29/01/81/134290181.db2.gz DWYSWQIIEZHKRI-STQMWFEESA-N 2 2 244.379 0.968 20 0 BCADLP CC[C@@H](O)CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000135025299 358816984 /nfs/dbraw/zinc/81/69/84/358816984.db2.gz KALQOAFGKYCLKJ-LLVKDONJSA-N 2 2 240.351 0.737 20 0 BCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC2(C)C)CC1 ZINC000180470882 366458969 /nfs/dbraw/zinc/45/89/69/366458969.db2.gz XCKRWYYETKSIOP-UHFFFAOYSA-N 2 2 239.363 0.635 20 0 BCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC2(C)C)CC1 ZINC000180470882 366458971 /nfs/dbraw/zinc/45/89/71/366458971.db2.gz XCKRWYYETKSIOP-UHFFFAOYSA-N 2 2 239.363 0.635 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CC2CC2)C[C@H](C)O1 ZINC000578232184 366463214 /nfs/dbraw/zinc/46/32/14/366463214.db2.gz KYFMMFMRUOOASB-LOWVWBTDSA-N 2 2 242.363 0.456 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CC2CC2)C[C@H](C)O1 ZINC000578232184 366463220 /nfs/dbraw/zinc/46/32/20/366463220.db2.gz KYFMMFMRUOOASB-LOWVWBTDSA-N 2 2 242.363 0.456 20 0 BCADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)NC2CC2)CC1 ZINC000134851423 358808664 /nfs/dbraw/zinc/80/86/64/358808664.db2.gz MLKJSSHWJRNZHE-SNVBAGLBSA-N 2 2 239.363 0.727 20 0 BCADLP Cc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cn1 ZINC000058000214 358909671 /nfs/dbraw/zinc/90/96/71/358909671.db2.gz SCVLHYWJRRHHLT-AWEZNQCLSA-N 2 2 249.358 0.936 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000309662052 358989002 /nfs/dbraw/zinc/98/90/02/358989002.db2.gz YFPLGOPYURXNFR-VXGBXAGGSA-N 3 2 211.353 0.527 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000309662052 358989004 /nfs/dbraw/zinc/98/90/04/358989004.db2.gz YFPLGOPYURXNFR-VXGBXAGGSA-N 3 2 211.353 0.527 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC)C1 ZINC000177837529 134303303 /nfs/dbraw/zinc/30/33/03/134303303.db2.gz HSAZPLGCMMYAKS-SNVBAGLBSA-N 2 2 213.325 0.006 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC)C1 ZINC000177837529 134303304 /nfs/dbraw/zinc/30/33/04/134303304.db2.gz HSAZPLGCMMYAKS-SNVBAGLBSA-N 2 2 213.325 0.006 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC000177837529 134303305 /nfs/dbraw/zinc/30/33/05/134303305.db2.gz HSAZPLGCMMYAKS-SNVBAGLBSA-N 2 2 213.325 0.006 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC000177837529 134303306 /nfs/dbraw/zinc/30/33/06/134303306.db2.gz HSAZPLGCMMYAKS-SNVBAGLBSA-N 2 2 213.325 0.006 20 0 BCADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1[nH+]ccn1C ZINC000070854861 359064990 /nfs/dbraw/zinc/06/49/90/359064990.db2.gz NBMIYEAWKCJFRS-PSASIEDQSA-N 2 2 224.308 0.410 20 0 BCADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)[C@@H](C)CO1 ZINC000246594339 359150343 /nfs/dbraw/zinc/15/03/43/359150343.db2.gz OJTRLQYECCTDFY-WDEREUQCSA-N 2 2 209.293 0.992 20 0 BCADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)[C@@H](C)CO1 ZINC000246594339 359150346 /nfs/dbraw/zinc/15/03/46/359150346.db2.gz OJTRLQYECCTDFY-WDEREUQCSA-N 2 2 209.293 0.992 20 0 BCADLP C[C@@H]1CC[N@H+](CCO)C[C@H]1n1cc[nH+]c1 ZINC000247562388 359234191 /nfs/dbraw/zinc/23/41/91/359234191.db2.gz KYCPOJGWDCWHAN-GHMZBOCLSA-N 2 2 209.293 0.758 20 0 BCADLP C[C@@H]1CC[N@@H+](CCO)C[C@H]1n1cc[nH+]c1 ZINC000247562388 359234193 /nfs/dbraw/zinc/23/41/93/359234193.db2.gz KYCPOJGWDCWHAN-GHMZBOCLSA-N 2 2 209.293 0.758 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247119076 359214863 /nfs/dbraw/zinc/21/48/63/359214863.db2.gz IYGDGIQNVZSCDA-RYUDHWBXSA-N 2 2 241.379 0.785 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247119076 359214868 /nfs/dbraw/zinc/21/48/68/359214868.db2.gz IYGDGIQNVZSCDA-RYUDHWBXSA-N 2 2 241.379 0.785 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000379592897 359557001 /nfs/dbraw/zinc/55/70/01/359557001.db2.gz ZRXJNVNRCQVMJG-ZDCRXTMVSA-N 2 2 200.326 0.950 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000379592897 359557005 /nfs/dbraw/zinc/55/70/05/359557005.db2.gz ZRXJNVNRCQVMJG-ZDCRXTMVSA-N 2 2 200.326 0.950 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CCCOC1 ZINC000352116468 366548811 /nfs/dbraw/zinc/54/88/11/366548811.db2.gz WOLALCPCUHPFEN-QWHCGFSZSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CCCOC1 ZINC000352116468 366548818 /nfs/dbraw/zinc/54/88/18/366548818.db2.gz WOLALCPCUHPFEN-QWHCGFSZSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+](C)[C@H]1CCCOC1)C1CC1 ZINC000352116468 366548821 /nfs/dbraw/zinc/54/88/21/366548821.db2.gz WOLALCPCUHPFEN-QWHCGFSZSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+](C)[C@H]1CCCOC1)C1CC1 ZINC000352116468 366548824 /nfs/dbraw/zinc/54/88/24/366548824.db2.gz WOLALCPCUHPFEN-QWHCGFSZSA-N 2 2 242.363 0.552 20 0 BCADLP CCn1nnc(C)c1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000451170343 202370645 /nfs/dbraw/zinc/37/06/45/202370645.db2.gz DFCQUQINVGHWRK-JTQLQIEISA-N 2 2 239.367 0.894 20 0 BCADLP O[C@@H]1COCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000451237499 202383067 /nfs/dbraw/zinc/38/30/67/202383067.db2.gz WGSHFMUZBJFIRN-ZDUSSCGKSA-N 2 2 242.363 0.556 20 0 BCADLP O[C@@H]1COCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000451237499 202383071 /nfs/dbraw/zinc/38/30/71/202383071.db2.gz WGSHFMUZBJFIRN-ZDUSSCGKSA-N 2 2 242.363 0.556 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCOC2)n1C ZINC000087784507 359929007 /nfs/dbraw/zinc/92/90/07/359929007.db2.gz KUNPIPDBKKSKNI-VIFPVBQESA-N 2 2 224.308 0.365 20 0 BCADLP C[NH2+]CCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000087472569 366600522 /nfs/dbraw/zinc/60/05/22/366600522.db2.gz DOLAUWOSXROMMX-UHFFFAOYSA-N 3 2 210.325 0.815 20 0 BCADLP C[NH2+]CCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000087472569 366600528 /nfs/dbraw/zinc/60/05/28/366600528.db2.gz DOLAUWOSXROMMX-UHFFFAOYSA-N 3 2 210.325 0.815 20 0 BCADLP [NH3+][C@H](C(=O)NCCNc1cccc[nH+]1)C1CCC1 ZINC000578622977 366609739 /nfs/dbraw/zinc/60/97/39/366609739.db2.gz GVTVDUKABBDUNY-LBPRGKRZSA-N 2 2 248.330 0.737 20 0 BCADLP COC[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090068228 360056056 /nfs/dbraw/zinc/05/60/56/360056056.db2.gz CMVOARWYSNKJJJ-XQQFMLRXSA-N 2 2 242.363 0.864 20 0 BCADLP COC[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090068228 360056062 /nfs/dbraw/zinc/05/60/62/360056062.db2.gz CMVOARWYSNKJJJ-XQQFMLRXSA-N 2 2 242.363 0.864 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]Cc2cncn2C)CC[N@@H+]1C ZINC000090721644 360085066 /nfs/dbraw/zinc/08/50/66/360085066.db2.gz BQRIBUVQQSBQDT-GHMZBOCLSA-N 2 2 222.336 0.992 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]Cc2cncn2C)CC[N@H+]1C ZINC000090721644 360085069 /nfs/dbraw/zinc/08/50/69/360085069.db2.gz BQRIBUVQQSBQDT-GHMZBOCLSA-N 2 2 222.336 0.992 20 0 BCADLP CC[C@@H](C)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093192864 360221907 /nfs/dbraw/zinc/22/19/07/360221907.db2.gz MSSRDNHJUZLKJC-LLVKDONJSA-N 2 2 227.352 0.491 20 0 BCADLP CC[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093192864 360221909 /nfs/dbraw/zinc/22/19/09/360221909.db2.gz MSSRDNHJUZLKJC-LLVKDONJSA-N 2 2 227.352 0.491 20 0 BCADLP [NH3+]Cc1ccc(C(=O)N2CC[NH+](C3CC3)CC2)o1 ZINC000094569173 360313044 /nfs/dbraw/zinc/31/30/44/360313044.db2.gz JSEVOPMNBVSDJT-UHFFFAOYSA-N 2 2 249.314 0.659 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000094648314 360313944 /nfs/dbraw/zinc/31/39/44/360313944.db2.gz FHSCLDTVUAVWLE-MNOVXSKESA-N 2 2 248.330 0.613 20 0 BCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C1([NH+](C)C)CC1 ZINC000613190166 360500225 /nfs/dbraw/zinc/50/02/25/360500225.db2.gz DHBMIHBGSSSWJZ-QWRGUYRKSA-N 2 2 239.363 0.632 20 0 BCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C1([NH+](C)C)CC1 ZINC000613190166 360500229 /nfs/dbraw/zinc/50/02/29/360500229.db2.gz DHBMIHBGSSSWJZ-QWRGUYRKSA-N 2 2 239.363 0.632 20 0 BCADLP NC(=O)c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000036754045 181303890 /nfs/dbraw/zinc/30/38/90/181303890.db2.gz ONIWCFAQUCEBKZ-UHFFFAOYSA-N 2 2 233.315 0.709 20 0 BCADLP NC(=O)c1cccc(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000042541399 181303811 /nfs/dbraw/zinc/30/38/11/181303811.db2.gz IOLNIRSWECTZSF-UHFFFAOYSA-N 2 2 244.298 0.772 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](CO)C2)C[N@@H+]1C1CC1 ZINC000631199505 360766282 /nfs/dbraw/zinc/76/62/82/360766282.db2.gz RGRYAMOYZRPHGJ-WISYIIOYSA-N 2 2 224.348 0.972 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](CO)C2)C[N@H+]1C1CC1 ZINC000631199505 360766286 /nfs/dbraw/zinc/76/62/86/360766286.db2.gz RGRYAMOYZRPHGJ-WISYIIOYSA-N 2 2 224.348 0.972 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629399845 361050771 /nfs/dbraw/zinc/05/07/71/361050771.db2.gz CNXYSJFTBMWVBZ-YPMHNXCESA-N 3 2 241.379 0.424 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629399845 361050774 /nfs/dbraw/zinc/05/07/74/361050774.db2.gz CNXYSJFTBMWVBZ-YPMHNXCESA-N 3 2 241.379 0.424 20 0 BCADLP C[NH2+]CCOCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000629401441 361051688 /nfs/dbraw/zinc/05/16/88/361051688.db2.gz AQTSKNQNMUIGEY-AAEUAGOBSA-N 3 2 241.379 0.295 20 0 BCADLP C[NH2+]CCOCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000629401441 361051692 /nfs/dbraw/zinc/05/16/92/361051692.db2.gz AQTSKNQNMUIGEY-AAEUAGOBSA-N 3 2 241.379 0.295 20 0 BCADLP C[NH2+]CCOCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000629401443 361051738 /nfs/dbraw/zinc/05/17/38/361051738.db2.gz AQTSKNQNMUIGEY-DGCLKSJQSA-N 3 2 241.379 0.295 20 0 BCADLP C[NH2+]CCOCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000629401443 361051743 /nfs/dbraw/zinc/05/17/43/361051743.db2.gz AQTSKNQNMUIGEY-DGCLKSJQSA-N 3 2 241.379 0.295 20 0 BCADLP COc1cncc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000629509713 361103890 /nfs/dbraw/zinc/10/38/90/361103890.db2.gz IODJJCALZXRDIR-ONGXEEELSA-N 2 2 236.319 0.654 20 0 BCADLP COc1cncc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000629509713 361103894 /nfs/dbraw/zinc/10/38/94/361103894.db2.gz IODJJCALZXRDIR-ONGXEEELSA-N 2 2 236.319 0.654 20 0 BCADLP C[N@H+](CCC[NH3+])CC(=O)NCC(C)(C)C ZINC000629515912 361109594 /nfs/dbraw/zinc/10/95/94/361109594.db2.gz VXWUOTJNJRBHRH-UHFFFAOYSA-N 2 2 215.341 0.429 20 0 BCADLP C[N@@H+](CCC[NH3+])CC(=O)NCC(C)(C)C ZINC000629515912 361109599 /nfs/dbraw/zinc/10/95/99/361109599.db2.gz VXWUOTJNJRBHRH-UHFFFAOYSA-N 2 2 215.341 0.429 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cccnc2N)C1 ZINC000629513577 361111603 /nfs/dbraw/zinc/11/16/03/361111603.db2.gz YVILMULDNRRXSK-SNVBAGLBSA-N 2 2 220.320 0.705 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccnc2N)C1 ZINC000629513577 361111606 /nfs/dbraw/zinc/11/16/06/361111606.db2.gz YVILMULDNRRXSK-SNVBAGLBSA-N 2 2 220.320 0.705 20 0 BCADLP CC(C)(C)CNC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000629514788 361112478 /nfs/dbraw/zinc/11/24/78/361112478.db2.gz OVPDRDHHHAAUPW-ZDUSSCGKSA-N 2 2 241.379 0.866 20 0 BCADLP C[C@H](O)[C@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000578987615 366686829 /nfs/dbraw/zinc/68/68/29/366686829.db2.gz IZMQRFXJWGCPNC-QJPTWQEYSA-N 2 2 228.336 0.068 20 0 BCADLP C[C@H](O)[C@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000578987615 366686837 /nfs/dbraw/zinc/68/68/37/366686837.db2.gz IZMQRFXJWGCPNC-QJPTWQEYSA-N 2 2 228.336 0.068 20 0 BCADLP C[NH2+]CCOCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000629531446 361149079 /nfs/dbraw/zinc/14/90/79/361149079.db2.gz LEZNMITWLLIEMH-RYUDHWBXSA-N 3 2 229.368 0.343 20 0 BCADLP COc1cncc(C[N@H+](C)C2CC([NH3+])C2)n1 ZINC000629532837 361155475 /nfs/dbraw/zinc/15/54/75/361155475.db2.gz VRHJJMXNSIYNKT-UHFFFAOYSA-N 2 2 222.292 0.407 20 0 BCADLP COc1cncc(C[N@@H+](C)C2CC([NH3+])C2)n1 ZINC000629532837 361155481 /nfs/dbraw/zinc/15/54/81/361155481.db2.gz VRHJJMXNSIYNKT-UHFFFAOYSA-N 2 2 222.292 0.407 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCC(N)=O)C[N@@H+]1C1CC1 ZINC000162911519 361186228 /nfs/dbraw/zinc/18/62/28/361186228.db2.gz MJORYOZWGZQBKL-DTWKUNHWSA-N 2 2 211.309 0.077 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCC(N)=O)C[N@H+]1C1CC1 ZINC000162911519 361186232 /nfs/dbraw/zinc/18/62/32/361186232.db2.gz MJORYOZWGZQBKL-DTWKUNHWSA-N 2 2 211.309 0.077 20 0 BCADLP [NH3+]C1(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000353580041 181324889 /nfs/dbraw/zinc/32/48/89/181324889.db2.gz SBPBUXZOAVROKD-UHFFFAOYSA-N 2 2 234.303 0.607 20 0 BCADLP [NH3+]C1(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000353502711 181326472 /nfs/dbraw/zinc/32/64/72/181326472.db2.gz QQFFCUXAFZZUDP-UHFFFAOYSA-N 2 2 248.330 0.369 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640487099 361275394 /nfs/dbraw/zinc/27/53/94/361275394.db2.gz PDPYNZTZUYBKAZ-ZYHUDNBSSA-N 2 2 221.304 0.419 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640487099 361275398 /nfs/dbraw/zinc/27/53/98/361275398.db2.gz PDPYNZTZUYBKAZ-ZYHUDNBSSA-N 2 2 221.304 0.419 20 0 BCADLP C[C@H]([NH3+])CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000622044791 370674221 /nfs/dbraw/zinc/67/42/21/370674221.db2.gz SPDXQRKJYPXNSD-JTQLQIEISA-N 3 2 211.353 0.940 20 0 BCADLP CC[C@H]1CC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000429291761 201094829 /nfs/dbraw/zinc/09/48/29/201094829.db2.gz JFPOQPBWPOUISP-CMPLNLGQSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@H]1CC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000429291761 201094834 /nfs/dbraw/zinc/09/48/34/201094834.db2.gz JFPOQPBWPOUISP-CMPLNLGQSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@H]1CC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000429291761 201094836 /nfs/dbraw/zinc/09/48/36/201094836.db2.gz JFPOQPBWPOUISP-CMPLNLGQSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@H]1CC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000429291761 201094839 /nfs/dbraw/zinc/09/48/39/201094839.db2.gz JFPOQPBWPOUISP-CMPLNLGQSA-N 2 2 212.337 0.926 20 0 BCADLP NC(=O)c1c[nH+]ccc1N1CCn2c[nH+]cc2C1 ZINC000579418552 366778382 /nfs/dbraw/zinc/77/83/82/366778382.db2.gz MVLMXYYKIBSBRU-UHFFFAOYSA-N 2 2 243.270 0.397 20 0 BCADLP [NH3+]C1(C[NH2+][C@@H]2CCN(C3CC3)C2=O)CCC1 ZINC000342113823 181332144 /nfs/dbraw/zinc/33/21/44/181332144.db2.gz ALHCQSJGSXXEPQ-SNVBAGLBSA-N 2 2 223.320 0.221 20 0 BCADLP [NH3+][C@@H]1CCCCC[C@H]1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629543425 361411002 /nfs/dbraw/zinc/41/10/02/361411002.db2.gz BECVGFBLDWRCDW-JHJVBQTASA-N 2 2 241.379 0.303 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+](CC2(C[NH3+])CC2)C1 ZINC000579473313 366821146 /nfs/dbraw/zinc/82/11/46/366821146.db2.gz PURPCGQJFIMBTD-LLVKDONJSA-N 3 2 211.353 0.657 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+](CC2(C[NH3+])CC2)C1 ZINC000579473313 366821152 /nfs/dbraw/zinc/82/11/52/366821152.db2.gz PURPCGQJFIMBTD-LLVKDONJSA-N 3 2 211.353 0.657 20 0 BCADLP [NH3+][C@H]1CCCCC[C@@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000629555707 361449000 /nfs/dbraw/zinc/44/90/00/361449000.db2.gz BECVGFBLDWRCDW-AVGNSLFASA-N 2 2 241.379 0.303 20 0 BCADLP [NH3+][C@H]1CCCCC[C@@H]1NCC[N@H+]1CC[C@H](O)C1 ZINC000629555707 361449005 /nfs/dbraw/zinc/44/90/05/361449005.db2.gz BECVGFBLDWRCDW-AVGNSLFASA-N 2 2 241.379 0.303 20 0 BCADLP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000629553287 361437026 /nfs/dbraw/zinc/43/70/26/361437026.db2.gz FYFPNNHJFRWDLF-GMTAPVOTSA-N 2 2 246.376 0.294 20 0 BCADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cnn(C)c1 ZINC000629553454 361438309 /nfs/dbraw/zinc/43/83/09/361438309.db2.gz QEDPOUTUIPYFED-GHMZBOCLSA-N 2 2 208.309 0.823 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)N[C@@H]1CC[NH2+]C1 ZINC000629553600 361439042 /nfs/dbraw/zinc/43/90/42/361439042.db2.gz AUYIUYHSJDHAGW-VHSXEESVSA-N 2 2 208.309 0.916 20 0 BCADLP C[C@H]1C[C@@H](N[C@@H]2CC[NH2+]C2)c2[nH+]ccn21 ZINC000629553571 361439125 /nfs/dbraw/zinc/43/91/25/361439125.db2.gz AECISWNCDHWWJX-IVZWLZJFSA-N 2 2 206.293 0.840 20 0 BCADLP COc1cncc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000629549585 361441613 /nfs/dbraw/zinc/44/16/13/361441613.db2.gz SKPZHCYGQMKAFY-VHSXEESVSA-N 2 2 236.319 0.797 20 0 BCADLP COc1cncc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000629549585 361441616 /nfs/dbraw/zinc/44/16/16/361441616.db2.gz SKPZHCYGQMKAFY-VHSXEESVSA-N 2 2 236.319 0.797 20 0 BCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000629550074 361442762 /nfs/dbraw/zinc/44/27/62/361442762.db2.gz XOGRVSFPAKGKJJ-GXSJLCMTSA-N 2 2 237.351 0.918 20 0 BCADLP CCn1nnc(C)c1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000629550074 361442767 /nfs/dbraw/zinc/44/27/67/361442767.db2.gz XOGRVSFPAKGKJJ-GXSJLCMTSA-N 2 2 237.351 0.918 20 0 BCADLP CC[N@H+](CC[NH3+])CCOC[C@H]1CCCO1 ZINC000629556727 361444330 /nfs/dbraw/zinc/44/43/30/361444330.db2.gz PTSYLRITODZTIZ-LLVKDONJSA-N 2 2 216.325 0.463 20 0 BCADLP CC[N@@H+](CC[NH3+])CCOC[C@H]1CCCO1 ZINC000629556727 361444334 /nfs/dbraw/zinc/44/43/34/361444334.db2.gz PTSYLRITODZTIZ-LLVKDONJSA-N 2 2 216.325 0.463 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCN(C)CC(F)F ZINC000629556786 361445473 /nfs/dbraw/zinc/44/54/73/361445473.db2.gz YOAQWAUYJHVOMD-NXEZZACHSA-N 2 2 235.322 0.771 20 0 BCADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C[NH2+]1 ZINC000629542013 361417680 /nfs/dbraw/zinc/41/76/80/361417680.db2.gz WRZRIRZSOWQVPQ-KXNHARMFSA-N 3 2 211.353 0.986 20 0 BCADLP Cc1cncc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000629575518 361462653 /nfs/dbraw/zinc/46/26/53/361462653.db2.gz PPZSNCHVYMRQCX-CQSZACIVSA-N 2 2 249.358 0.936 20 0 BCADLP C[NH2+]CCOCC[N@H+](C)Cc1coc(C)n1 ZINC000629571983 361463978 /nfs/dbraw/zinc/46/39/78/361463978.db2.gz LJDSPMFNTZEYGM-UHFFFAOYSA-N 2 2 227.308 0.651 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)Cc1coc(C)n1 ZINC000629571983 361463979 /nfs/dbraw/zinc/46/39/79/361463979.db2.gz LJDSPMFNTZEYGM-UHFFFAOYSA-N 2 2 227.308 0.651 20 0 BCADLP Cc1nnsc1C[N@H+](C)CCOCC[NH3+] ZINC000629580401 361465751 /nfs/dbraw/zinc/46/57/51/361465751.db2.gz ARCIBOCJMLBWEW-UHFFFAOYSA-N 2 2 230.337 0.254 20 0 BCADLP Cc1nnsc1C[N@@H+](C)CCOCC[NH3+] ZINC000629580401 361465758 /nfs/dbraw/zinc/46/57/58/361465758.db2.gz ARCIBOCJMLBWEW-UHFFFAOYSA-N 2 2 230.337 0.254 20 0 BCADLP CC(C)c1noc(C[N@H+](C)CCOCC[NH3+])n1 ZINC000629580350 361466186 /nfs/dbraw/zinc/46/61/86/361466186.db2.gz WFXQYXCWIFWFDH-UHFFFAOYSA-N 2 2 242.323 0.600 20 0 BCADLP CC(C)c1noc(C[N@@H+](C)CCOCC[NH3+])n1 ZINC000629580350 361466188 /nfs/dbraw/zinc/46/61/88/361466188.db2.gz WFXQYXCWIFWFDH-UHFFFAOYSA-N 2 2 242.323 0.600 20 0 BCADLP CN(C)C(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629596302 361483172 /nfs/dbraw/zinc/48/31/72/361483172.db2.gz WETLFBLITCNTDX-TXEJJXNPSA-N 2 2 225.336 0.006 20 0 BCADLP CN(C)C(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629596302 361483177 /nfs/dbraw/zinc/48/31/77/361483177.db2.gz WETLFBLITCNTDX-TXEJJXNPSA-N 2 2 225.336 0.006 20 0 BCADLP CCNC(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593192 361484679 /nfs/dbraw/zinc/48/46/79/361484679.db2.gz HVNBFWDUNOAJJT-TXEJJXNPSA-N 2 2 225.336 0.054 20 0 BCADLP CCNC(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593192 361484683 /nfs/dbraw/zinc/48/46/83/361484683.db2.gz HVNBFWDUNOAJJT-TXEJJXNPSA-N 2 2 225.336 0.054 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000309931019 491158446 /nfs/dbraw/zinc/15/84/46/491158446.db2.gz YAERTVDZRFEJBA-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000309931019 491158447 /nfs/dbraw/zinc/15/84/47/491158447.db2.gz YAERTVDZRFEJBA-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP CC[N@H+](CC[NH3+])CCC(=O)Nc1cccnc1 ZINC000629558032 361451504 /nfs/dbraw/zinc/45/15/04/361451504.db2.gz OKLSMJQZHMSKCZ-UHFFFAOYSA-N 2 2 236.319 0.691 20 0 BCADLP CC[N@@H+](CC[NH3+])CCC(=O)Nc1cccnc1 ZINC000629558032 361451510 /nfs/dbraw/zinc/45/15/10/361451510.db2.gz OKLSMJQZHMSKCZ-UHFFFAOYSA-N 2 2 236.319 0.691 20 0 BCADLP [NH3+]CCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563002 361457937 /nfs/dbraw/zinc/45/79/37/361457937.db2.gz ORPYLSWOUMKNKN-DTWKUNHWSA-N 3 2 239.285 0.794 20 0 BCADLP [NH3+]CCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563002 361457943 /nfs/dbraw/zinc/45/79/43/361457943.db2.gz ORPYLSWOUMKNKN-DTWKUNHWSA-N 3 2 239.285 0.794 20 0 BCADLP C[C@H](C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1)CS(C)(=O)=O ZINC000430942676 201158458 /nfs/dbraw/zinc/15/84/58/201158458.db2.gz DHJCLQGWNSCMEF-MXWKQRLJSA-N 2 2 248.392 0.336 20 0 BCADLP C[C@H](C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1)CS(C)(=O)=O ZINC000430942676 201158460 /nfs/dbraw/zinc/15/84/60/201158460.db2.gz DHJCLQGWNSCMEF-MXWKQRLJSA-N 2 2 248.392 0.336 20 0 BCADLP COCC[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000580511614 361506761 /nfs/dbraw/zinc/50/67/61/361506761.db2.gz PALCOVUSVCZVLW-LBPRGKRZSA-N 2 2 242.363 0.818 20 0 BCADLP COCC[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000580511614 361506769 /nfs/dbraw/zinc/50/67/69/361506769.db2.gz PALCOVUSVCZVLW-LBPRGKRZSA-N 2 2 242.363 0.818 20 0 BCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C1([NH+](C)C)CC1 ZINC000613227568 361539065 /nfs/dbraw/zinc/53/90/65/361539065.db2.gz TUYANXMKNCZRSO-GHMZBOCLSA-N 2 2 239.363 0.632 20 0 BCADLP C[C@@H]1[C@H](C)N(C(=O)C2([NH+](C)C)CC2)CC[N@@H+]1C ZINC000613227569 361540937 /nfs/dbraw/zinc/54/09/37/361540937.db2.gz TUYANXMKNCZRSO-MNOVXSKESA-N 2 2 239.363 0.632 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@H+](CC2=CCCOC2)CCO1 ZINC000629652022 361550118 /nfs/dbraw/zinc/55/01/18/361550118.db2.gz SPYRLCYATXMUMN-CMPLNLGQSA-N 2 2 226.320 0.381 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CC2=CCCOC2)CCO1 ZINC000629652022 361550124 /nfs/dbraw/zinc/55/01/24/361550124.db2.gz SPYRLCYATXMUMN-CMPLNLGQSA-N 2 2 226.320 0.381 20 0 BCADLP O=C1[C@H]([NH2+][C@H]2CCC[NH2+]C2)CCN1C1CCC1 ZINC000629673872 361596756 /nfs/dbraw/zinc/59/67/56/361596756.db2.gz LTTGZVWPTPZLNX-CMPLNLGQSA-N 2 2 237.347 0.481 20 0 BCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)NC ZINC000434981559 201247606 /nfs/dbraw/zinc/24/76/06/201247606.db2.gz GSBYYTFILHJACD-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)NC ZINC000434981559 201247608 /nfs/dbraw/zinc/24/76/08/201247608.db2.gz GSBYYTFILHJACD-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)NC ZINC000434981559 201247610 /nfs/dbraw/zinc/24/76/10/201247610.db2.gz GSBYYTFILHJACD-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)NC ZINC000434981559 201247613 /nfs/dbraw/zinc/24/76/13/201247613.db2.gz GSBYYTFILHJACD-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP C[NH2+]CCC[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000435870452 201291236 /nfs/dbraw/zinc/29/12/36/201291236.db2.gz GDLVWOFTWWPLSW-QWRGUYRKSA-N 2 2 225.336 0.339 20 0 BCADLP C[NH2+]CCC[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000435870452 201291238 /nfs/dbraw/zinc/29/12/38/201291238.db2.gz GDLVWOFTWWPLSW-QWRGUYRKSA-N 2 2 225.336 0.339 20 0 BCADLP CNc1[nH+]cnc2c1cnn2Cc1c[nH+]cn1C ZINC000435792304 201288844 /nfs/dbraw/zinc/28/88/44/201288844.db2.gz USAMZTSUICZQBL-UHFFFAOYSA-N 2 2 243.274 0.650 20 0 BCADLP C[NH2+]CCC[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000435870450 201289328 /nfs/dbraw/zinc/28/93/28/201289328.db2.gz GDLVWOFTWWPLSW-GHMZBOCLSA-N 2 2 225.336 0.339 20 0 BCADLP C[NH2+]CCC[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000435870450 201289332 /nfs/dbraw/zinc/28/93/32/201289332.db2.gz GDLVWOFTWWPLSW-GHMZBOCLSA-N 2 2 225.336 0.339 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000435883635 201296925 /nfs/dbraw/zinc/29/69/25/201296925.db2.gz LWXFQZQBSXSLMD-LLVKDONJSA-N 2 2 237.351 0.902 20 0 BCADLP C[NH2+]CCC[N@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000435883635 201296928 /nfs/dbraw/zinc/29/69/28/201296928.db2.gz LWXFQZQBSXSLMD-LLVKDONJSA-N 2 2 237.351 0.902 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000435883635 201296932 /nfs/dbraw/zinc/29/69/32/201296932.db2.gz LWXFQZQBSXSLMD-LLVKDONJSA-N 2 2 237.351 0.902 20 0 BCADLP C[NH2+]CCC[N@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000435883635 201296934 /nfs/dbraw/zinc/29/69/34/201296934.db2.gz LWXFQZQBSXSLMD-LLVKDONJSA-N 2 2 237.351 0.902 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000435883635 201296937 /nfs/dbraw/zinc/29/69/37/201296937.db2.gz LWXFQZQBSXSLMD-LLVKDONJSA-N 2 2 237.351 0.902 20 0 BCADLP C[NH2+]CCC[N@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000435883635 201296941 /nfs/dbraw/zinc/29/69/41/201296941.db2.gz LWXFQZQBSXSLMD-LLVKDONJSA-N 2 2 237.351 0.902 20 0 BCADLP CCCNC(=O)C[N@H+](CCC)CCC[NH2+]C ZINC000435880121 201293794 /nfs/dbraw/zinc/29/37/94/201293794.db2.gz NKTGJSVYCLEJSN-UHFFFAOYSA-N 2 2 229.368 0.834 20 0 BCADLP CCCNC(=O)C[N@@H+](CCC)CCC[NH2+]C ZINC000435880121 201293796 /nfs/dbraw/zinc/29/37/96/201293796.db2.gz NKTGJSVYCLEJSN-UHFFFAOYSA-N 2 2 229.368 0.834 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+](CCC[NH2+]C)C1 ZINC000435882897 201295018 /nfs/dbraw/zinc/29/50/18/201295018.db2.gz VYTSKGHKHRYJDJ-GFCCVEGCSA-N 3 2 213.369 0.870 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CCC[NH2+]C)C1 ZINC000435882897 201295021 /nfs/dbraw/zinc/29/50/21/201295021.db2.gz VYTSKGHKHRYJDJ-GFCCVEGCSA-N 3 2 213.369 0.870 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+](CCC[NH2+]C)C1 ZINC000435882897 201295024 /nfs/dbraw/zinc/29/50/24/201295024.db2.gz VYTSKGHKHRYJDJ-GFCCVEGCSA-N 3 2 213.369 0.870 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CCC[NH2+]C)C1 ZINC000435882897 201295029 /nfs/dbraw/zinc/29/50/29/201295029.db2.gz VYTSKGHKHRYJDJ-GFCCVEGCSA-N 3 2 213.369 0.870 20 0 BCADLP C[C@@H](CC(=O)N(C)C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437090987 201343815 /nfs/dbraw/zinc/34/38/15/201343815.db2.gz PWLZAWLOMIIXEL-NSHDSACASA-N 2 2 241.379 0.927 20 0 BCADLP CC[N@@H+]1CCN(C(=O)C2([NH+](C)C)CC2)[C@H](C)C1 ZINC000614713076 363934857 /nfs/dbraw/zinc/93/48/57/363934857.db2.gz XAWMALXPTSGPQV-LLVKDONJSA-N 2 2 239.363 0.633 20 0 BCADLP CC[N@H+]1CCN(C(=O)C2([NH+](C)C)CC2)[C@H](C)C1 ZINC000614713076 363934860 /nfs/dbraw/zinc/93/48/60/363934860.db2.gz XAWMALXPTSGPQV-LLVKDONJSA-N 2 2 239.363 0.633 20 0 BCADLP [NH3+]CC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000237975589 181353065 /nfs/dbraw/zinc/35/30/65/181353065.db2.gz JQYUKRVHQJWZBY-UHFFFAOYSA-N 2 2 234.303 0.257 20 0 BCADLP [NH3+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000040419393 181354985 /nfs/dbraw/zinc/35/49/85/181354985.db2.gz NLDNGPZSBZIVSX-UHFFFAOYSA-N 2 2 249.314 0.416 20 0 BCADLP COc1c(N)[nH+]cnc1N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000630386353 364100224 /nfs/dbraw/zinc/10/02/24/364100224.db2.gz XWHNQUOEUKBEQD-OCAPTIKFSA-N 2 2 235.291 0.008 20 0 BCADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC(N)=[NH2+])cc1 ZINC000630387166 364102280 /nfs/dbraw/zinc/10/22/80/364102280.db2.gz JAIZKANMYMFECD-NSHDSACASA-N 2 2 248.330 0.753 20 0 BCADLP COc1ccc(C[N@H+]2CC[C@H]2CNC(N)=[NH2+])cc1 ZINC000630387166 364102285 /nfs/dbraw/zinc/10/22/85/364102285.db2.gz JAIZKANMYMFECD-NSHDSACASA-N 2 2 248.330 0.753 20 0 BCADLP c1nc(N2C[C@@H]3C[C@H]2C[NH2+]3)cc(NC2CC2)[nH+]1 ZINC000630555695 364251944 /nfs/dbraw/zinc/25/19/44/364251944.db2.gz SBEILDZWUFRDHO-UWVGGRQHSA-N 2 2 231.303 0.601 20 0 BCADLP CC[NH+]1CCC([NH2+]CCC[S@](C)=O)CC1 ZINC000133897839 364377212 /nfs/dbraw/zinc/37/72/12/364377212.db2.gz XFVVIYOPMDHSCZ-OAHLLOKOSA-N 2 2 232.393 0.829 20 0 BCADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000615159316 364551167 /nfs/dbraw/zinc/55/11/67/364551167.db2.gz YQRDXPODAUNCRA-MRVPVSSYSA-N 2 2 233.275 0.792 20 0 BCADLP [NH3+]CCC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000237868060 181367281 /nfs/dbraw/zinc/36/72/81/181367281.db2.gz GNUWXZQRFPCMKJ-UHFFFAOYSA-N 2 2 248.330 0.647 20 0 BCADLP COc1cc[nH+]cc1CNC(=O)C1([NH+](C)C)CC1 ZINC000615233865 364649506 /nfs/dbraw/zinc/64/95/06/364649506.db2.gz NTRVPBIVGFZEIQ-UHFFFAOYSA-N 2 2 249.314 0.801 20 0 BCADLP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000615299975 364680114 /nfs/dbraw/zinc/68/01/14/364680114.db2.gz CJWYUKYWUWSPTO-QWRGUYRKSA-N 2 2 236.319 0.434 20 0 BCADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccoc1 ZINC000167431493 364792565 /nfs/dbraw/zinc/79/25/65/364792565.db2.gz JJTJDBOWZOOTKT-ONGXEEELSA-N 2 2 212.293 0.853 20 0 BCADLP C(C[NH+]1CCOCC1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299924555 364822479 /nfs/dbraw/zinc/82/24/79/364822479.db2.gz VZIRGXSYQKHOQE-QWHCGFSZSA-N 2 2 239.363 0.002 20 0 BCADLP COC1(C[NH2+][C@@H](C)C[NH+](C)C)CCOCC1 ZINC000573578415 364868481 /nfs/dbraw/zinc/86/84/81/364868481.db2.gz BZUIKNWXVMNROM-NSHDSACASA-N 2 2 230.352 0.722 20 0 BCADLP CCOCC[C@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000573676963 364889495 /nfs/dbraw/zinc/88/94/95/364889495.db2.gz WHPZGMIVLAAIHA-NSHDSACASA-N 2 2 227.308 0.260 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC000573979073 364959846 /nfs/dbraw/zinc/95/98/46/364959846.db2.gz JKWJMUPOEMMGRF-MNOVXSKESA-N 2 2 248.330 0.488 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC000573979073 364959853 /nfs/dbraw/zinc/95/98/53/364959853.db2.gz JKWJMUPOEMMGRF-MNOVXSKESA-N 2 2 248.330 0.488 20 0 BCADLP C[C@@H]([NH3+])CCC(=O)NCCNc1cccc[nH+]1 ZINC000574196593 365005466 /nfs/dbraw/zinc/00/54/66/365005466.db2.gz FYSZGWJNQKEBON-SNVBAGLBSA-N 2 2 236.319 0.737 20 0 BCADLP CC(C)CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000574622393 365097746 /nfs/dbraw/zinc/09/77/46/365097746.db2.gz YZCQWUIQVUJXMY-NSHDSACASA-N 2 2 242.367 0.317 20 0 BCADLP CC(C)CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000574622393 365097753 /nfs/dbraw/zinc/09/77/53/365097753.db2.gz YZCQWUIQVUJXMY-NSHDSACASA-N 2 2 242.367 0.317 20 0 BCADLP [NH3+]CCOCC[N@@H+]1C[C@@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000357079046 181399629 /nfs/dbraw/zinc/39/96/29/181399629.db2.gz CINDXXVGUIYAJI-ZIAGYGMSSA-N 3 2 249.358 0.388 20 0 BCADLP [NH3+]CCOCC[N@H+]1C[C@@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000357079046 181399630 /nfs/dbraw/zinc/39/96/30/181399630.db2.gz CINDXXVGUIYAJI-ZIAGYGMSSA-N 3 2 249.358 0.388 20 0 BCADLP O[C@@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C(F)(F)F ZINC000574751333 365132174 /nfs/dbraw/zinc/13/21/74/365132174.db2.gz VSIOWGCQDUAHSE-RCOVLWMOSA-N 2 2 249.236 0.780 20 0 BCADLP O[C@@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C(F)(F)F ZINC000574751333 365132176 /nfs/dbraw/zinc/13/21/76/365132176.db2.gz VSIOWGCQDUAHSE-RCOVLWMOSA-N 2 2 249.236 0.780 20 0 BCADLP CSC[C@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000574806083 365147779 /nfs/dbraw/zinc/14/77/79/365147779.db2.gz UPDSJDPHDWEDFL-VHSXEESVSA-N 2 2 241.360 0.511 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444176731 193039519 /nfs/dbraw/zinc/03/95/19/193039519.db2.gz QTLLGBIWCIYFPX-NQBHXWOUSA-N 2 2 248.330 0.387 20 0 BCADLP C[C@H](CC(=O)NCC1([NH3+])CCC1)n1cc[nH+]c1 ZINC000575325547 365290501 /nfs/dbraw/zinc/29/05/01/365290501.db2.gz MTUIRZIBVCBZBJ-SNVBAGLBSA-N 2 2 236.319 0.832 20 0 BCADLP CN(C)c1ccc(CNC(=O)C[NH2+]C2CC2)c[nH+]1 ZINC000575984696 365436156 /nfs/dbraw/zinc/43/61/56/365436156.db2.gz DOUGREYALJWUIL-UHFFFAOYSA-N 2 2 248.330 0.516 20 0 BCADLP [NH3+][C@H]1C[C@@H](C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000576043186 365461436 /nfs/dbraw/zinc/46/14/36/365461436.db2.gz FXWXCWPEIKIICM-PHIMTYICSA-N 2 2 236.319 0.517 20 0 BCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH+]1CCCC1 ZINC000353829255 541485113 /nfs/dbraw/zinc/48/51/13/541485113.db2.gz SXBYWYNRJCLANG-UHFFFAOYSA-N 2 2 236.319 0.554 20 0 BCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH+]1CCCC1 ZINC000353829255 541485117 /nfs/dbraw/zinc/48/51/17/541485117.db2.gz SXBYWYNRJCLANG-UHFFFAOYSA-N 2 2 236.319 0.554 20 0 BCADLP COCC[NH2+]CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000579733117 366997794 /nfs/dbraw/zinc/99/77/94/366997794.db2.gz FHELTUBREYSTPC-WDEREUQCSA-N 3 2 215.341 0.082 20 0 BCADLP Cn1c[nH+]cc1CN1CC[NH2+]C[C@@H]1C(F)F ZINC000579952878 367099768 /nfs/dbraw/zinc/09/97/68/367099768.db2.gz SSJPRIGXOPSKGW-SECBINFHSA-N 2 2 230.262 0.459 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H](C)CCC[NH3+])c[nH+]1 ZINC000581131270 367271649 /nfs/dbraw/zinc/27/16/49/367271649.db2.gz LLCNRDGVCLOHQE-SSDOTTSWSA-N 2 2 210.281 0.575 20 0 BCADLP O=C(Nc1cc[nH+]cc1O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000581248901 367308104 /nfs/dbraw/zinc/30/81/04/367308104.db2.gz IXRFGNINXOFKIT-PRHODGIISA-N 2 2 233.271 0.147 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+](C)CCN1CCCC1=O ZINC000581357509 367385872 /nfs/dbraw/zinc/38/58/72/367385872.db2.gz DCIDNPMXLQPPLO-LBPRGKRZSA-N 2 2 241.379 0.914 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)CCN1CCCC1=O ZINC000581357509 367385874 /nfs/dbraw/zinc/38/58/74/367385874.db2.gz DCIDNPMXLQPPLO-LBPRGKRZSA-N 2 2 241.379 0.914 20 0 BCADLP CC[NH+]1CCC([NH2+]C[C@@H](C)S(C)(=O)=O)CC1 ZINC000381472790 367415275 /nfs/dbraw/zinc/41/52/75/367415275.db2.gz PFOCSJNZHBXYTQ-SNVBAGLBSA-N 2 2 248.392 0.493 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCCC[C@H]2O)CCO1 ZINC000382039619 367481957 /nfs/dbraw/zinc/48/19/57/367481957.db2.gz HUYAVHZQTCPCJC-IJLUTSLNSA-N 2 2 228.336 0.197 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCCC[C@H]2O)CCO1 ZINC000382039619 367481960 /nfs/dbraw/zinc/48/19/60/367481960.db2.gz HUYAVHZQTCPCJC-IJLUTSLNSA-N 2 2 228.336 0.197 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C2(C(=O)N(C)C)CC2)n1C ZINC000565372650 325903353 /nfs/dbraw/zinc/90/33/53/325903353.db2.gz MRCZNUPVLWGNPW-UHFFFAOYSA-N 2 2 236.319 0.439 20 0 BCADLP CCC1(C)C[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000381820733 367460637 /nfs/dbraw/zinc/46/06/37/367460637.db2.gz HSPJPLBCHFXBPK-LBPRGKRZSA-N 2 2 244.379 0.657 20 0 BCADLP CCC1(C)C[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000381820733 367460643 /nfs/dbraw/zinc/46/06/43/367460643.db2.gz HSPJPLBCHFXBPK-LBPRGKRZSA-N 2 2 244.379 0.657 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000382414852 367519151 /nfs/dbraw/zinc/51/91/51/367519151.db2.gz VRHQVFFBEIOEGQ-NNYUYHANSA-N 2 2 210.321 0.463 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000382414852 367519157 /nfs/dbraw/zinc/51/91/57/367519157.db2.gz VRHQVFFBEIOEGQ-NNYUYHANSA-N 2 2 210.321 0.463 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)CCOCC1CC1 ZINC000383718303 367650004 /nfs/dbraw/zinc/65/00/04/367650004.db2.gz XXVZAESIDZJOHN-ZDUSSCGKSA-N 2 2 244.379 0.657 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCOCC1CC1 ZINC000383718303 367650005 /nfs/dbraw/zinc/65/00/05/367650005.db2.gz XXVZAESIDZJOHN-ZDUSSCGKSA-N 2 2 244.379 0.657 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CCOCC1CC1 ZINC000383718303 367650008 /nfs/dbraw/zinc/65/00/08/367650008.db2.gz XXVZAESIDZJOHN-ZDUSSCGKSA-N 2 2 244.379 0.657 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCOCC1CC1 ZINC000383718303 367650009 /nfs/dbraw/zinc/65/00/09/367650009.db2.gz XXVZAESIDZJOHN-ZDUSSCGKSA-N 2 2 244.379 0.657 20 0 BCADLP CC[C@@H](C)C[N@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000384040516 367669701 /nfs/dbraw/zinc/66/97/01/367669701.db2.gz UZUPOSRVOHVWHP-CHWSQXEVSA-N 2 2 246.395 0.903 20 0 BCADLP CC[C@@H](C)C[N@@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000384040516 367669709 /nfs/dbraw/zinc/66/97/09/367669709.db2.gz UZUPOSRVOHVWHP-CHWSQXEVSA-N 2 2 246.395 0.903 20 0 BCADLP CC[C@@H](C)C[NH+](C)C[C@H](O)C[N@H+](C)CCOC ZINC000384040516 367669713 /nfs/dbraw/zinc/66/97/13/367669713.db2.gz UZUPOSRVOHVWHP-CHWSQXEVSA-N 2 2 246.395 0.903 20 0 BCADLP CC[C@@H](C)C[NH+](C)C[C@H](O)C[N@@H+](C)CCOC ZINC000384040516 367669721 /nfs/dbraw/zinc/66/97/21/367669721.db2.gz UZUPOSRVOHVWHP-CHWSQXEVSA-N 2 2 246.395 0.903 20 0 BCADLP CC[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000384060020 367670805 /nfs/dbraw/zinc/67/08/05/367670805.db2.gz XZNPOQRWDQYZGT-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000384060020 367670809 /nfs/dbraw/zinc/67/08/09/367670809.db2.gz XZNPOQRWDQYZGT-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC000384060020 367670811 /nfs/dbraw/zinc/67/08/11/367670811.db2.gz XZNPOQRWDQYZGT-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000384060020 367670816 /nfs/dbraw/zinc/67/08/16/367670816.db2.gz XZNPOQRWDQYZGT-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)CC(C)(C)O ZINC000384759508 367727601 /nfs/dbraw/zinc/72/76/01/367727601.db2.gz AAQSAOUOTFXBIW-GRYCIOLGSA-N 2 2 244.379 0.893 20 0 BCADLP Cc1[nH+]ccn1CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000622361501 370868133 /nfs/dbraw/zinc/86/81/33/370868133.db2.gz JLIIEQRKUNKTJX-UHFFFAOYSA-N 2 2 233.275 0.573 20 0 BCADLP C[C@@H](CS(C)(=O)=O)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399171906 367850604 /nfs/dbraw/zinc/85/06/04/367850604.db2.gz ISHHQEQQGFUMSQ-UTLUCORTSA-N 2 2 234.365 0.150 20 0 BCADLP CC(C)COCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385389460 367825051 /nfs/dbraw/zinc/82/50/51/367825051.db2.gz RYCIQBZUQCINMA-NEPJUHHUSA-N 2 2 212.337 0.953 20 0 BCADLP CC(C)COCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385389460 367825056 /nfs/dbraw/zinc/82/50/56/367825056.db2.gz RYCIQBZUQCINMA-NEPJUHHUSA-N 2 2 212.337 0.953 20 0 BCADLP c1ncn(CC[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000385582137 367843820 /nfs/dbraw/zinc/84/38/20/367843820.db2.gz FZRIJXUMYKFGTD-STQMWFEESA-N 2 2 249.362 0.885 20 0 BCADLP c1ncn(CC[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000385582137 367843825 /nfs/dbraw/zinc/84/38/25/367843825.db2.gz FZRIJXUMYKFGTD-STQMWFEESA-N 2 2 249.362 0.885 20 0 BCADLP C[C@H]([NH2+]CCNC(=O)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000386062270 367906904 /nfs/dbraw/zinc/90/69/04/367906904.db2.gz XONRHFYAZWWBIJ-JQWIXIFHSA-N 2 2 239.363 0.633 20 0 BCADLP Cc1nc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cs1 ZINC000087613438 367917361 /nfs/dbraw/zinc/91/73/61/367917361.db2.gz VAJPJAKPEIPTQO-NSHDSACASA-N 2 2 240.376 0.526 20 0 BCADLP Cc1nc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cs1 ZINC000087613438 367917362 /nfs/dbraw/zinc/91/73/62/367917362.db2.gz VAJPJAKPEIPTQO-NSHDSACASA-N 2 2 240.376 0.526 20 0 BCADLP COC[C@H](CCO)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386601793 367999953 /nfs/dbraw/zinc/99/99/53/367999953.db2.gz UZPLNWKJRYLNRF-GRYCIOLGSA-N 2 2 230.352 0.504 20 0 BCADLP C[C@H]([NH2+]CCOCCO)[C@@H]1CCCC[NH2+]1 ZINC000386607195 368000257 /nfs/dbraw/zinc/00/02/57/368000257.db2.gz VXWPGOXPQAUQLZ-QWRGUYRKSA-N 2 2 216.325 0.116 20 0 BCADLP CC[C@H]1[C@H](CO)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000386358668 367956376 /nfs/dbraw/zinc/95/63/76/367956376.db2.gz ZCVVWANCONDSNR-RYUDHWBXSA-N 2 2 223.320 0.976 20 0 BCADLP CC[C@H]1[C@H](CO)CC[N@H+]1CCn1cc[nH+]c1 ZINC000386358668 367956381 /nfs/dbraw/zinc/95/63/81/367956381.db2.gz ZCVVWANCONDSNR-RYUDHWBXSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H]([NH2+]CCOCCO)[C@H]1CCCC[NH2+]1 ZINC000386607191 368000397 /nfs/dbraw/zinc/00/03/97/368000397.db2.gz VXWPGOXPQAUQLZ-GHMZBOCLSA-N 2 2 216.325 0.116 20 0 BCADLP CC[C@@H]([NH3+])C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000581941978 367968720 /nfs/dbraw/zinc/96/87/20/367968720.db2.gz OQWARNIDVGVDTL-SNVBAGLBSA-N 2 2 236.319 0.853 20 0 BCADLP CC[C@@H]([NH3+])C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000581941978 367968723 /nfs/dbraw/zinc/96/87/23/367968723.db2.gz OQWARNIDVGVDTL-SNVBAGLBSA-N 2 2 236.319 0.853 20 0 BCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CC[NH3+] ZINC000566249975 326024231 /nfs/dbraw/zinc/02/42/31/326024231.db2.gz XVCUPOBGQFXSRO-UHFFFAOYSA-N 2 2 236.319 0.527 20 0 BCADLP C[C@H]1CN(c2nc[nH+]c(N)c2Cl)C[C@@H]1[NH3+] ZINC000581993564 368083743 /nfs/dbraw/zinc/08/37/43/368083743.db2.gz FBEKSKDKOBHKHF-WDSKDSINSA-N 2 2 227.699 0.496 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC=C(COC)CC1 ZINC000566417502 326042764 /nfs/dbraw/zinc/04/27/64/326042764.db2.gz YNKSKKCXYXIUOL-CYBMUJFWSA-N 2 2 242.363 0.578 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC=C(COC)CC1 ZINC000566417502 326042766 /nfs/dbraw/zinc/04/27/66/326042766.db2.gz YNKSKKCXYXIUOL-CYBMUJFWSA-N 2 2 242.363 0.578 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC=C(COC)CC1 ZINC000566417502 326042767 /nfs/dbraw/zinc/04/27/67/326042767.db2.gz YNKSKKCXYXIUOL-CYBMUJFWSA-N 2 2 242.363 0.578 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC=C(COC)CC1 ZINC000566417502 326042769 /nfs/dbraw/zinc/04/27/69/326042769.db2.gz YNKSKKCXYXIUOL-CYBMUJFWSA-N 2 2 242.363 0.578 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](OC(C)C)C1 ZINC000566428381 326044831 /nfs/dbraw/zinc/04/48/31/326044831.db2.gz DTCWJDJYEXESTO-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](OC(C)C)C1 ZINC000566428381 326044834 /nfs/dbraw/zinc/04/48/34/326044834.db2.gz DTCWJDJYEXESTO-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000566428381 326044836 /nfs/dbraw/zinc/04/48/36/326044836.db2.gz DTCWJDJYEXESTO-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000566428381 326044837 /nfs/dbraw/zinc/04/48/37/326044837.db2.gz DTCWJDJYEXESTO-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000063466773 368585869 /nfs/dbraw/zinc/58/58/69/368585869.db2.gz IWHUGCBCOFBJOH-NSHDSACASA-N 2 2 238.335 0.728 20 0 BCADLP CC(C)[N@H+](C)CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000063466773 368585872 /nfs/dbraw/zinc/58/58/72/368585872.db2.gz IWHUGCBCOFBJOH-NSHDSACASA-N 2 2 238.335 0.728 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]CC1(O)CCCC1 ZINC000087459961 368893911 /nfs/dbraw/zinc/89/39/11/368893911.db2.gz WDQVUHQVDIBOTQ-GFCCVEGCSA-N 2 2 241.379 0.127 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]CC1(O)CCCC1 ZINC000087459961 368893915 /nfs/dbraw/zinc/89/39/15/368893915.db2.gz WDQVUHQVDIBOTQ-GFCCVEGCSA-N 2 2 241.379 0.127 20 0 BCADLP C[N@@H+]1CCN(Cc2ccncc2)[C@H](C[NH3+])C1 ZINC000087613349 368895023 /nfs/dbraw/zinc/89/50/23/368895023.db2.gz IBVHMKDJELOHLC-GFCCVEGCSA-N 2 2 220.320 0.156 20 0 BCADLP C[N@H+]1CCN(Cc2ccncc2)[C@H](C[NH3+])C1 ZINC000087613349 368895030 /nfs/dbraw/zinc/89/50/30/368895030.db2.gz IBVHMKDJELOHLC-GFCCVEGCSA-N 2 2 220.320 0.156 20 0 BCADLP C[C@@H]1CCC[N@H+](C[C@H]2CCc3ncnn32)[C@@H]1C[NH3+] ZINC000631822148 368975158 /nfs/dbraw/zinc/97/51/58/368975158.db2.gz UPZXQIFKEGXSDT-IJLUTSLNSA-N 2 2 249.362 0.825 20 0 BCADLP C[C@@H]1CCC[N@@H+](C[C@H]2CCc3ncnn32)[C@@H]1C[NH3+] ZINC000631822148 368975162 /nfs/dbraw/zinc/97/51/62/368975162.db2.gz UPZXQIFKEGXSDT-IJLUTSLNSA-N 2 2 249.362 0.825 20 0 BCADLP C[N@H+](CC(C)(C)[NH3+])[C@@H]1CCN(C2CCC2)C1=O ZINC000631829209 369004766 /nfs/dbraw/zinc/00/47/66/369004766.db2.gz KFQJFBAFHZWYEB-LLVKDONJSA-N 2 2 239.363 0.809 20 0 BCADLP C[N@@H+](CC(C)(C)[NH3+])[C@@H]1CCN(C2CCC2)C1=O ZINC000631829209 369004768 /nfs/dbraw/zinc/00/47/68/369004768.db2.gz KFQJFBAFHZWYEB-LLVKDONJSA-N 2 2 239.363 0.809 20 0 BCADLP Cc1nccnc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000631826430 368990622 /nfs/dbraw/zinc/99/06/22/368990622.db2.gz MZHXPRCLELCCNC-VXGBXAGGSA-N 2 2 232.331 0.969 20 0 BCADLP Cc1nccnc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000631826430 368990629 /nfs/dbraw/zinc/99/06/29/368990629.db2.gz MZHXPRCLELCCNC-VXGBXAGGSA-N 2 2 232.331 0.969 20 0 BCADLP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)nn1 ZINC000623655896 368991667 /nfs/dbraw/zinc/99/16/67/368991667.db2.gz IDDIZZAGZNFQDM-NSHDSACASA-N 2 2 237.351 0.637 20 0 BCADLP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)nn1 ZINC000623655896 368991670 /nfs/dbraw/zinc/99/16/70/368991670.db2.gz IDDIZZAGZNFQDM-NSHDSACASA-N 2 2 237.351 0.637 20 0 BCADLP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@H]1C[NH3+] ZINC000631836999 369091446 /nfs/dbraw/zinc/09/14/46/369091446.db2.gz LINQNLLGQDHIJF-VXGBXAGGSA-N 3 2 236.363 0.879 20 0 BCADLP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@H]1C[NH3+] ZINC000631836999 369091450 /nfs/dbraw/zinc/09/14/50/369091450.db2.gz LINQNLLGQDHIJF-VXGBXAGGSA-N 3 2 236.363 0.879 20 0 BCADLP CCOC(=O)[C@@H](C)[N@H+](C)CCc1c[nH+]cn1C ZINC000459380076 203270592 /nfs/dbraw/zinc/27/05/92/203270592.db2.gz QBFIQBDAOUBOHP-SNVBAGLBSA-N 2 2 239.319 0.846 20 0 BCADLP CCOC(=O)[C@@H](C)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459380076 203270594 /nfs/dbraw/zinc/27/05/94/203270594.db2.gz QBFIQBDAOUBOHP-SNVBAGLBSA-N 2 2 239.319 0.846 20 0 BCADLP CC(C)CNC(=O)[C@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107576290 369354035 /nfs/dbraw/zinc/35/40/35/369354035.db2.gz FOJZHXUJRFCZIO-QJPTWQEYSA-N 2 2 239.363 0.298 20 0 BCADLP c1c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)nc2ccccn12 ZINC000107579175 369354172 /nfs/dbraw/zinc/35/41/72/369354172.db2.gz ZYYLHAFHUKSDPY-RYUDHWBXSA-N 2 2 242.326 0.986 20 0 BCADLP CCn1cc(CC[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)cn1 ZINC000631861492 369469453 /nfs/dbraw/zinc/46/94/53/369469453.db2.gz CMWNBVAFCWSXFN-PWSUYJOCSA-N 2 2 222.336 0.867 20 0 BCADLP CCn1cc(CC[N@H+]2C[C@@H]([NH3+])C[C@H]2C)cn1 ZINC000631861492 369469455 /nfs/dbraw/zinc/46/94/55/369469455.db2.gz CMWNBVAFCWSXFN-PWSUYJOCSA-N 2 2 222.336 0.867 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631862015 369474428 /nfs/dbraw/zinc/47/44/28/369474428.db2.gz KGSUWZQXJCPKAQ-VHSXEESVSA-N 2 2 213.325 0.276 20 0 BCADLP O=c1ccc(C[NH2+]CCn2cc[nH+]c2)c[nH]1 ZINC000631033725 370977687 /nfs/dbraw/zinc/97/76/87/370977687.db2.gz GGSDMTKCNIWDFX-UHFFFAOYSA-N 2 2 218.260 0.774 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC000567889997 326277053 /nfs/dbraw/zinc/27/70/53/326277053.db2.gz SYGQMMRKVVQEDK-UPJWGTAASA-N 2 2 242.363 0.770 20 0 BCADLP CC(C)[C@@H](CO)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166136540 203387746 /nfs/dbraw/zinc/38/77/46/203387746.db2.gz NSFSJGSFWSXHFK-QJPTWQEYSA-N 2 2 230.352 0.360 20 0 BCADLP CC[C@H](C(=O)N[C@H](C)c1[nH+]ccn1C)[NH+](C)C ZINC000620603231 369951406 /nfs/dbraw/zinc/95/14/06/369951406.db2.gz IUDOWIZLIUIXOT-NXEZZACHSA-N 2 2 238.335 0.938 20 0 BCADLP C[C@H](NC(=O)C1([NH+](C)C)CC1)c1[nH+]ccn1C ZINC000620606975 369955928 /nfs/dbraw/zinc/95/59/28/369955928.db2.gz CJUXFRCESDQZHB-VIFPVBQESA-N 2 2 236.319 0.692 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000309759203 370255460 /nfs/dbraw/zinc/25/54/60/370255460.db2.gz IHDLZHPFRMLUIP-GRYCIOLGSA-N 3 2 211.353 0.798 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000309759203 370255465 /nfs/dbraw/zinc/25/54/65/370255465.db2.gz IHDLZHPFRMLUIP-GRYCIOLGSA-N 3 2 211.353 0.798 20 0 BCADLP C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C[C@H]1CO ZINC000621372157 370309752 /nfs/dbraw/zinc/30/97/52/370309752.db2.gz QKRNBVAALMLAHW-NEPJUHHUSA-N 2 2 223.320 0.833 20 0 BCADLP C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C[C@H]1CO ZINC000621372157 370309756 /nfs/dbraw/zinc/30/97/56/370309756.db2.gz QKRNBVAALMLAHW-NEPJUHHUSA-N 2 2 223.320 0.833 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C1CC1 ZINC000310520292 370349914 /nfs/dbraw/zinc/34/99/14/370349914.db2.gz LVIFPYIUHZRPFY-AAEUAGOBSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C1CC1 ZINC000310520292 370349919 /nfs/dbraw/zinc/34/99/19/370349919.db2.gz LVIFPYIUHZRPFY-AAEUAGOBSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)C1CC1 ZINC000310520292 370349921 /nfs/dbraw/zinc/34/99/21/370349921.db2.gz LVIFPYIUHZRPFY-AAEUAGOBSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000310520292 370349923 /nfs/dbraw/zinc/34/99/23/370349923.db2.gz LVIFPYIUHZRPFY-AAEUAGOBSA-N 2 2 244.379 0.656 20 0 BCADLP Cc1nccnc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000621720079 370470671 /nfs/dbraw/zinc/47/06/71/370470671.db2.gz JDSVRJICTNPJPS-QWRGUYRKSA-N 2 2 218.304 0.436 20 0 BCADLP CCn1cc(CC[N@@H+]2CCC[C@@H]2C[NH3+])cn1 ZINC000621774341 370520656 /nfs/dbraw/zinc/52/06/56/370520656.db2.gz RCLZNHKXNIWHHA-GFCCVEGCSA-N 2 2 222.336 0.869 20 0 BCADLP CCn1cc(CC[N@H+]2CCC[C@@H]2C[NH3+])cn1 ZINC000621774341 370520658 /nfs/dbraw/zinc/52/06/58/370520658.db2.gz RCLZNHKXNIWHHA-GFCCVEGCSA-N 2 2 222.336 0.869 20 0 BCADLP Cn1c[nH+]cc1CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621782831 370530288 /nfs/dbraw/zinc/53/02/88/370530288.db2.gz SXWOLRDIAZHYSP-CMPLNLGQSA-N 2 2 220.320 0.733 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621784280 370535850 /nfs/dbraw/zinc/53/58/50/370535850.db2.gz MIQWJCCXXYPRSP-FOGDFJRCSA-N 2 2 225.336 0.276 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621784280 370535853 /nfs/dbraw/zinc/53/58/53/370535853.db2.gz MIQWJCCXXYPRSP-FOGDFJRCSA-N 2 2 225.336 0.276 20 0 BCADLP COc1cc[nH+]cc1NC(=O)C1([NH3+])CCC1 ZINC000568515592 326361924 /nfs/dbraw/zinc/36/19/24/326361924.db2.gz YSUMRKWZPLYCJB-UHFFFAOYSA-N 2 2 221.260 0.910 20 0 BCADLP CC(C)OC[C@H](O)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000313281697 370576448 /nfs/dbraw/zinc/57/64/48/370576448.db2.gz LOUAKPYNRMOZKZ-GFCCVEGCSA-N 2 2 241.335 0.338 20 0 BCADLP CC(C)OC[C@@H](O)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000313281699 370576474 /nfs/dbraw/zinc/57/64/74/370576474.db2.gz LOUAKPYNRMOZKZ-LBPRGKRZSA-N 2 2 241.335 0.338 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CCO2)CC1 ZINC000568659793 326371541 /nfs/dbraw/zinc/37/15/41/326371541.db2.gz JWMMILLNXGBSLU-GFCCVEGCSA-N 2 2 242.363 0.554 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CCO2)CC1 ZINC000568659793 326371543 /nfs/dbraw/zinc/37/15/43/326371543.db2.gz JWMMILLNXGBSLU-GFCCVEGCSA-N 2 2 242.363 0.554 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C[C@@]1(C)CC[NH2+]C1 ZINC000568782633 326377350 /nfs/dbraw/zinc/37/73/50/326377350.db2.gz WHMHKFOGEWJODJ-NSHDSACASA-N 2 2 208.309 0.841 20 0 BCADLP Cn1cccc1C[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000623758179 371084058 /nfs/dbraw/zinc/08/40/58/371084058.db2.gz RPCYJFMVWQPDDY-GFCCVEGCSA-N 2 2 223.320 0.181 20 0 BCADLP Cn1cccc1C[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000623758179 371084062 /nfs/dbraw/zinc/08/40/62/371084062.db2.gz RPCYJFMVWQPDDY-GFCCVEGCSA-N 2 2 223.320 0.181 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)CCO1 ZINC000623837468 371119861 /nfs/dbraw/zinc/11/98/61/371119861.db2.gz GLRLQOVJDAVGNG-SRVKXCTJSA-N 2 2 228.336 0.210 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)CCO1 ZINC000623837468 371119867 /nfs/dbraw/zinc/11/98/67/371119867.db2.gz GLRLQOVJDAVGNG-SRVKXCTJSA-N 2 2 228.336 0.210 20 0 BCADLP C[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000623837063 371120160 /nfs/dbraw/zinc/12/01/60/371120160.db2.gz WLHFDNKVLFMRQZ-UTUOFQBUSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000623837063 371120165 /nfs/dbraw/zinc/12/01/65/371120165.db2.gz WLHFDNKVLFMRQZ-UTUOFQBUSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)[C@@H]1C[C@H]1C ZINC000623838188 371120830 /nfs/dbraw/zinc/12/08/30/371120830.db2.gz JZCVBZXSHHAOLS-NOOOWODRSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)[C@@H]1C[C@H]1C ZINC000623838188 371120832 /nfs/dbraw/zinc/12/08/32/371120832.db2.gz JZCVBZXSHHAOLS-NOOOWODRSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000624131378 371332796 /nfs/dbraw/zinc/33/27/96/371332796.db2.gz LZKXUOFQQVPNFN-BFLSOPEQSA-N 2 2 237.347 0.323 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000624131378 371332798 /nfs/dbraw/zinc/33/27/98/371332798.db2.gz LZKXUOFQQVPNFN-BFLSOPEQSA-N 2 2 237.347 0.323 20 0 BCADLP CCC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624227083 371415559 /nfs/dbraw/zinc/41/55/59/371415559.db2.gz GRAZIIMXODWFRP-GHMZBOCLSA-N 2 2 200.326 0.831 20 0 BCADLP CCC[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624227083 371415562 /nfs/dbraw/zinc/41/55/62/371415562.db2.gz GRAZIIMXODWFRP-GHMZBOCLSA-N 2 2 200.326 0.831 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCSCC2)C1 ZINC000624230715 371418459 /nfs/dbraw/zinc/41/84/59/371418459.db2.gz FCNOIGOYOBQDAU-NWDGAFQWSA-N 2 2 244.404 0.928 20 0 BCADLP O[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCSCC2)C1 ZINC000624230715 371418463 /nfs/dbraw/zinc/41/84/63/371418463.db2.gz FCNOIGOYOBQDAU-NWDGAFQWSA-N 2 2 244.404 0.928 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+]C2CC(CF)(CF)C2)C1 ZINC000624230584 371418986 /nfs/dbraw/zinc/41/89/86/371418986.db2.gz AULILLVEMZQPOL-LLVKDONJSA-N 2 2 248.317 0.730 20 0 BCADLP O[C@@H]1CC[N@@H+](CC[NH2+]C2CC(CF)(CF)C2)C1 ZINC000624230584 371418990 /nfs/dbraw/zinc/41/89/90/371418990.db2.gz AULILLVEMZQPOL-LLVKDONJSA-N 2 2 248.317 0.730 20 0 BCADLP COCC[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624333555 371485353 /nfs/dbraw/zinc/48/53/53/371485353.db2.gz RNDPJCOGEGSZKU-QWRGUYRKSA-N 2 2 216.325 0.068 20 0 BCADLP COCC[C@H](C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624333555 371485358 /nfs/dbraw/zinc/48/53/58/371485358.db2.gz RNDPJCOGEGSZKU-QWRGUYRKSA-N 2 2 216.325 0.068 20 0 BCADLP C[C@@H](CCCCO)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624336206 371486615 /nfs/dbraw/zinc/48/66/15/371486615.db2.gz KWSQPNOTDSYHLI-RYUDHWBXSA-N 2 2 230.352 0.194 20 0 BCADLP C[C@@H](CCCCO)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624336206 371486618 /nfs/dbraw/zinc/48/66/18/371486618.db2.gz KWSQPNOTDSYHLI-RYUDHWBXSA-N 2 2 230.352 0.194 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)[C@@H]1C ZINC000624339032 371487900 /nfs/dbraw/zinc/48/79/00/371487900.db2.gz KJVMSAIIEUSWEK-WISYIIOYSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)[C@@H]1C ZINC000624339032 371487902 /nfs/dbraw/zinc/48/79/02/371487902.db2.gz KJVMSAIIEUSWEK-WISYIIOYSA-N 2 2 212.337 0.687 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227071750 371780832 /nfs/dbraw/zinc/78/08/32/371780832.db2.gz FKXNPRZRHVGOSK-XHNCKOQMSA-N 2 2 200.282 0.217 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227071750 371780836 /nfs/dbraw/zinc/78/08/36/371780836.db2.gz FKXNPRZRHVGOSK-XHNCKOQMSA-N 2 2 200.282 0.217 20 0 BCADLP C[NH+](C)CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000171386562 372564451 /nfs/dbraw/zinc/56/44/51/372564451.db2.gz CQNMWORBRVZHCL-UHFFFAOYSA-N 2 2 225.336 0.102 20 0 BCADLP [NH3+][C@H]1CCC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631820942 372593265 /nfs/dbraw/zinc/59/32/65/372593265.db2.gz KVGZLTNZSHGYHT-UWVGGRQHSA-N 2 2 221.308 0.189 20 0 BCADLP [NH3+][C@H]1CCC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631820942 372593271 /nfs/dbraw/zinc/59/32/71/372593271.db2.gz KVGZLTNZSHGYHT-UWVGGRQHSA-N 2 2 221.308 0.189 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC000631821809 372597068 /nfs/dbraw/zinc/59/70/68/372597068.db2.gz JVOLSNXTNXCEFD-IUCAKERBSA-N 2 2 209.297 0.044 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC000631821809 372597072 /nfs/dbraw/zinc/59/70/72/372597072.db2.gz JVOLSNXTNXCEFD-IUCAKERBSA-N 2 2 209.297 0.044 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631831410 372614991 /nfs/dbraw/zinc/61/49/91/372614991.db2.gz CYHNMEJSKGEPRE-GHMZBOCLSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631831410 372614998 /nfs/dbraw/zinc/61/49/98/372614998.db2.gz CYHNMEJSKGEPRE-GHMZBOCLSA-N 2 2 239.363 0.857 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834629 372620795 /nfs/dbraw/zinc/62/07/95/372620795.db2.gz BVSWXYFYXYVXHE-VHSXEESVSA-N 2 2 213.325 0.454 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834629 372620804 /nfs/dbraw/zinc/62/08/04/372620804.db2.gz BVSWXYFYXYVXHE-VHSXEESVSA-N 2 2 213.325 0.454 20 0 BCADLP Cc1nnc([C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)[nH]1 ZINC000631837097 372627813 /nfs/dbraw/zinc/62/78/13/372627813.db2.gz MUIGGLHTAUXQTE-KHQFGBGNSA-N 2 2 223.324 0.701 20 0 BCADLP Cc1nnc([C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)[nH]1 ZINC000631837097 372627815 /nfs/dbraw/zinc/62/78/15/372627815.db2.gz MUIGGLHTAUXQTE-KHQFGBGNSA-N 2 2 223.324 0.701 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCC(=O)NC1CCCC1 ZINC000631860092 372659913 /nfs/dbraw/zinc/65/99/13/372659913.db2.gz UOXHUHJWKCWOGD-MNOVXSKESA-N 2 2 239.363 0.857 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCC(=O)NC1CCCC1 ZINC000631860092 372659915 /nfs/dbraw/zinc/65/99/15/372659915.db2.gz UOXHUHJWKCWOGD-MNOVXSKESA-N 2 2 239.363 0.857 20 0 BCADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC000631860257 372660390 /nfs/dbraw/zinc/66/03/90/372660390.db2.gz WKUHZFIZYPAAGP-ONGXEEELSA-N 2 2 221.304 0.307 20 0 BCADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccn(C)c(=O)c1 ZINC000631860257 372660394 /nfs/dbraw/zinc/66/03/94/372660394.db2.gz WKUHZFIZYPAAGP-ONGXEEELSA-N 2 2 221.304 0.307 20 0 BCADLP Cc1ccc(C[NH+]2CCC([NH2+]CCO)CC2)nc1 ZINC000631862284 372663442 /nfs/dbraw/zinc/66/34/42/372663442.db2.gz HQKIJRIVYCJBRT-UHFFFAOYSA-N 2 2 249.358 0.936 20 0 BCADLP CC1CC(n2nnc3c2C[N@H+](CCC[NH3+])CC3)C1 ZINC000631865798 372666944 /nfs/dbraw/zinc/66/69/44/372666944.db2.gz OLXBLDQDTQYRLE-UHFFFAOYSA-N 2 2 249.362 0.956 20 0 BCADLP CC1CC(n2nnc3c2C[N@@H+](CCC[NH3+])CC3)C1 ZINC000631865798 372666947 /nfs/dbraw/zinc/66/69/47/372666947.db2.gz OLXBLDQDTQYRLE-UHFFFAOYSA-N 2 2 249.362 0.956 20 0 BCADLP CC[C@H](C)NC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631869739 372672064 /nfs/dbraw/zinc/67/20/64/372672064.db2.gz SNWQQGMCAAEHIL-LOWVWBTDSA-N 2 2 239.363 0.633 20 0 BCADLP C[N@@H+](Cc1ncc[nH]1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000631879093 372677854 /nfs/dbraw/zinc/67/78/54/372677854.db2.gz KFIJWONKMORTRR-JTQLQIEISA-N 2 2 236.319 0.363 20 0 BCADLP C[N@H+](Cc1ncc[nH]1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000631879093 372677858 /nfs/dbraw/zinc/67/78/58/372677858.db2.gz KFIJWONKMORTRR-JTQLQIEISA-N 2 2 236.319 0.363 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631889392 372684086 /nfs/dbraw/zinc/68/40/86/372684086.db2.gz FJLMTPLNUHYEBT-GHMZBOCLSA-N 2 2 225.336 0.149 20 0 BCADLP CN(C)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631889392 372684097 /nfs/dbraw/zinc/68/40/97/372684097.db2.gz FJLMTPLNUHYEBT-GHMZBOCLSA-N 2 2 225.336 0.149 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631889393 372684577 /nfs/dbraw/zinc/68/45/77/372684577.db2.gz FJLMTPLNUHYEBT-MNOVXSKESA-N 2 2 225.336 0.149 20 0 BCADLP CN(C)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631889393 372684585 /nfs/dbraw/zinc/68/45/85/372684585.db2.gz FJLMTPLNUHYEBT-MNOVXSKESA-N 2 2 225.336 0.149 20 0 BCADLP CCNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631889425 372685165 /nfs/dbraw/zinc/68/51/65/372685165.db2.gz JJWHWBKOCRAQJA-WDEREUQCSA-N 2 2 225.336 0.196 20 0 BCADLP CCNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631889425 372685166 /nfs/dbraw/zinc/68/51/66/372685166.db2.gz JJWHWBKOCRAQJA-WDEREUQCSA-N 2 2 225.336 0.196 20 0 BCADLP CCNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631889424 372685352 /nfs/dbraw/zinc/68/53/52/372685352.db2.gz JJWHWBKOCRAQJA-QWRGUYRKSA-N 2 2 225.336 0.196 20 0 BCADLP CCNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631889424 372685355 /nfs/dbraw/zinc/68/53/55/372685355.db2.gz JJWHWBKOCRAQJA-QWRGUYRKSA-N 2 2 225.336 0.196 20 0 BCADLP Cc1cc(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc[nH+]1 ZINC000632927450 373223287 /nfs/dbraw/zinc/22/32/87/373223287.db2.gz KMDISYFWWCSRJI-QWRGUYRKSA-N 2 2 232.287 0.390 20 0 BCADLP O=C(NC1CC1)[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000131583658 182098886 /nfs/dbraw/zinc/09/88/86/182098886.db2.gz KOKOCGGZFPNLJL-GFCCVEGCSA-N 2 2 248.330 0.626 20 0 BCADLP O=C(NC1CC1)[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000131583658 182098888 /nfs/dbraw/zinc/09/88/88/182098888.db2.gz KOKOCGGZFPNLJL-GFCCVEGCSA-N 2 2 248.330 0.626 20 0 BCADLP CC(=O)N1CCC([NH2+][C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000040672845 373590860 /nfs/dbraw/zinc/59/08/60/373590860.db2.gz IKLATNFXDDAFRZ-CYBMUJFWSA-N 2 2 239.363 0.681 20 0 BCADLP CC(=O)N1CCC([NH2+][C@@H]2CCC[N@H+](C)C2)CC1 ZINC000040672845 373590864 /nfs/dbraw/zinc/59/08/64/373590864.db2.gz IKLATNFXDDAFRZ-CYBMUJFWSA-N 2 2 239.363 0.681 20 0 BCADLP CC(=O)N1CCC([NH2+][C@H]2CCC[N@@H+](C)C2)CC1 ZINC000040672846 373591435 /nfs/dbraw/zinc/59/14/35/373591435.db2.gz IKLATNFXDDAFRZ-ZDUSSCGKSA-N 2 2 239.363 0.681 20 0 BCADLP CC(=O)N1CCC([NH2+][C@H]2CCC[N@H+](C)C2)CC1 ZINC000040672846 373591442 /nfs/dbraw/zinc/59/14/42/373591442.db2.gz IKLATNFXDDAFRZ-ZDUSSCGKSA-N 2 2 239.363 0.681 20 0 BCADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000040673134 373592901 /nfs/dbraw/zinc/59/29/01/373592901.db2.gz AQADPJIXIVSHEE-CYBMUJFWSA-N 2 2 247.342 0.969 20 0 BCADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000040673134 373592907 /nfs/dbraw/zinc/59/29/07/373592907.db2.gz AQADPJIXIVSHEE-CYBMUJFWSA-N 2 2 247.342 0.969 20 0 BCADLP O=C(NCCCNc1cccc[nH+]1)[C@H]1CC[NH2+]C1 ZINC000165242997 182168467 /nfs/dbraw/zinc/16/84/67/182168467.db2.gz ZBSQJXNTCONWNP-NSHDSACASA-N 2 2 248.330 0.609 20 0 BCADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364149546 182178435 /nfs/dbraw/zinc/17/84/35/182178435.db2.gz ZWMXZHXKCXXBGN-AAEUAGOBSA-N 2 2 248.330 0.389 20 0 BCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000070255485 182214669 /nfs/dbraw/zinc/21/46/69/182214669.db2.gz SJRXANLWNGYGHL-NSHDSACASA-N 2 2 248.330 0.389 20 0 BCADLP CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634199983 374018800 /nfs/dbraw/zinc/01/88/00/374018800.db2.gz ZEZHHWGJUSNOSS-UHFFFAOYSA-N 2 2 234.303 0.792 20 0 BCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C1C[NH2+]C1 ZINC000373532970 182209960 /nfs/dbraw/zinc/20/99/60/182209960.db2.gz YCIWMYQCNXFTRA-UHFFFAOYSA-N 2 2 248.330 0.098 20 0 BCADLP O=C(NCCn1cc[nH+]c1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280870806 182215764 /nfs/dbraw/zinc/21/57/64/182215764.db2.gz OCDXHCBWZOVVJI-DGCLKSJQSA-N 2 2 248.330 0.389 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1O ZINC000381444562 374120144 /nfs/dbraw/zinc/12/01/44/374120144.db2.gz FJMDKTUJPGZCOH-IXOXFDKPSA-N 2 2 224.348 0.972 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1O ZINC000381444562 374120150 /nfs/dbraw/zinc/12/01/50/374120150.db2.gz FJMDKTUJPGZCOH-IXOXFDKPSA-N 2 2 224.348 0.972 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353541541 182273941 /nfs/dbraw/zinc/27/39/41/182273941.db2.gz YZWKGVSVYKZDLR-WDEREUQCSA-N 2 2 248.330 0.662 20 0 BCADLP O=C(NCc1c[nH+]c[nH]1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353818476 182270035 /nfs/dbraw/zinc/27/00/35/182270035.db2.gz VUSIANPIOLUUKY-NWDGAFQWSA-N 2 2 248.330 0.662 20 0 BCADLP O=C(NCc1c[nH]c[nH+]1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353818476 182270037 /nfs/dbraw/zinc/27/00/37/182270037.db2.gz VUSIANPIOLUUKY-NWDGAFQWSA-N 2 2 248.330 0.662 20 0 BCADLP O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCCc2[nH+]ccn21 ZINC000354454377 182270147 /nfs/dbraw/zinc/27/01/47/182270147.db2.gz NIBMGQRGBCKPEI-JTQLQIEISA-N 2 2 245.286 0.800 20 0 BCADLP CN1CC[C@H]([N@H+](C)C[C@@H]2CCC[NH+](C)C2)C1=O ZINC000246678635 374285753 /nfs/dbraw/zinc/28/57/53/374285753.db2.gz BAKYKKIQASNTMB-NEPJUHHUSA-N 2 2 239.363 0.491 20 0 BCADLP CN1CC[C@H]([N@@H+](C)C[C@@H]2CCC[NH+](C)C2)C1=O ZINC000246678635 374285757 /nfs/dbraw/zinc/28/57/57/374285757.db2.gz BAKYKKIQASNTMB-NEPJUHHUSA-N 2 2 239.363 0.491 20 0 BCADLP CN1CC[C@H]([NH+](C)C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000246678635 374285761 /nfs/dbraw/zinc/28/57/61/374285761.db2.gz BAKYKKIQASNTMB-NEPJUHHUSA-N 2 2 239.363 0.491 20 0 BCADLP CN1CC[C@H]([NH+](C)C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000246678635 374285762 /nfs/dbraw/zinc/28/57/62/374285762.db2.gz BAKYKKIQASNTMB-NEPJUHHUSA-N 2 2 239.363 0.491 20 0 BCADLP C[C@@H]([NH3+])C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000442666046 206083014 /nfs/dbraw/zinc/08/30/14/206083014.db2.gz SBITVRVUJKJPDG-SECBINFHSA-N 2 2 225.336 0.324 20 0 BCADLP OCC(CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000087749437 183033990 /nfs/dbraw/zinc/03/39/90/183033990.db2.gz DKRSNLXOHPINLM-UHFFFAOYSA-N 2 2 247.298 0.315 20 0 BCADLP OCC[N@H+](CCn1cc[nH+]c1)CC1CC1 ZINC000336649851 183068278 /nfs/dbraw/zinc/06/82/78/183068278.db2.gz RQUPVTXNBARVCC-UHFFFAOYSA-N 2 2 209.293 0.587 20 0 BCADLP OCC[N@@H+](CCn1cc[nH+]c1)CC1CC1 ZINC000336649851 183068280 /nfs/dbraw/zinc/06/82/80/183068280.db2.gz RQUPVTXNBARVCC-UHFFFAOYSA-N 2 2 209.293 0.587 20 0 BCADLP OC[C@@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000309571154 183107125 /nfs/dbraw/zinc/10/71/25/183107125.db2.gz MXGXSYRGSXVCMW-GHMZBOCLSA-N 2 2 225.292 0.013 20 0 BCADLP OC[C@@]1([NH2+]Cc2cccc3[nH+]ccn32)CCOC1 ZINC000184193695 183133959 /nfs/dbraw/zinc/13/39/59/183133959.db2.gz QXSKHDQBEVGYLP-ZDUSSCGKSA-N 2 2 247.298 0.575 20 0 BCADLP OC[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000050104540 183148130 /nfs/dbraw/zinc/14/81/30/183148130.db2.gz PTCIJKTUSOZLBT-LBPRGKRZSA-N 2 2 223.320 0.978 20 0 BCADLP OC[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000050104540 183148134 /nfs/dbraw/zinc/14/81/34/183148134.db2.gz PTCIJKTUSOZLBT-LBPRGKRZSA-N 2 2 223.320 0.978 20 0 BCADLP OC[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000049774118 183148835 /nfs/dbraw/zinc/14/88/35/183148835.db2.gz WPGXQXSRCSCIIH-NSHDSACASA-N 2 2 209.293 0.587 20 0 BCADLP OC[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000049774118 183148837 /nfs/dbraw/zinc/14/88/37/183148837.db2.gz WPGXQXSRCSCIIH-NSHDSACASA-N 2 2 209.293 0.587 20 0 BCADLP CCC[N@H+](C)CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000358582884 169075543 /nfs/dbraw/zinc/07/55/43/169075543.db2.gz DZXLHXNNTIFXEY-LLVKDONJSA-N 2 2 238.335 0.730 20 0 BCADLP CCC[N@@H+](C)CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000358582884 169075546 /nfs/dbraw/zinc/07/55/46/169075546.db2.gz DZXLHXNNTIFXEY-LLVKDONJSA-N 2 2 238.335 0.730 20 0 BCADLP O[C@H](CNc1cccc[nH+]1)C[NH+]1CCOCC1 ZINC000299252406 183226060 /nfs/dbraw/zinc/22/60/60/183226060.db2.gz DSVOEHHJHFTRGI-LLVKDONJSA-N 2 2 237.303 0.187 20 0 BCADLP O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CCn1cc[nH+]c1 ZINC000302452344 183213755 /nfs/dbraw/zinc/21/37/55/183213755.db2.gz VJQOGGNAWPBALD-JZRPKSSGSA-N 2 2 233.315 0.584 20 0 BCADLP O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2CCn1cc[nH+]c1 ZINC000302452344 183213758 /nfs/dbraw/zinc/21/37/58/183213758.db2.gz VJQOGGNAWPBALD-JZRPKSSGSA-N 2 2 233.315 0.584 20 0 BCADLP CCC[N@H+](CCn1cc[nH+]c1)CC(=O)OC ZINC000050065782 169171889 /nfs/dbraw/zinc/17/18/89/169171889.db2.gz BRGAKRFTEGAEHJ-UHFFFAOYSA-N 2 2 225.292 0.768 20 0 BCADLP CCC[N@@H+](CCn1cc[nH+]c1)CC(=O)OC ZINC000050065782 169171891 /nfs/dbraw/zinc/17/18/91/169171891.db2.gz BRGAKRFTEGAEHJ-UHFFFAOYSA-N 2 2 225.292 0.768 20 0 BCADLP CCC[N@H+](CCO)CCCn1cc[nH+]c1 ZINC000050106368 169165601 /nfs/dbraw/zinc/16/56/01/169165601.db2.gz WVURFAATKPURRA-UHFFFAOYSA-N 2 2 211.309 0.978 20 0 BCADLP CCC[N@@H+](CCO)CCCn1cc[nH+]c1 ZINC000050106368 169165603 /nfs/dbraw/zinc/16/56/03/169165603.db2.gz WVURFAATKPURRA-UHFFFAOYSA-N 2 2 211.309 0.978 20 0 BCADLP CCCNC(=O)C[NH2+]Cc1c[nH+]cn1C ZINC000082393956 169227436 /nfs/dbraw/zinc/22/74/36/169227436.db2.gz NLHSBXSNHRRYOJ-UHFFFAOYSA-N 2 2 210.281 0.036 20 0 BCADLP c1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)on1 ZINC000335565373 183345747 /nfs/dbraw/zinc/34/57/47/183345747.db2.gz JQNUZDAVBRXTNP-NXEZZACHSA-N 2 2 207.277 0.716 20 0 BCADLP c1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)on1 ZINC000335565373 183345749 /nfs/dbraw/zinc/34/57/49/183345749.db2.gz JQNUZDAVBRXTNP-NXEZZACHSA-N 2 2 207.277 0.716 20 0 BCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040601428 169241700 /nfs/dbraw/zinc/24/17/00/169241700.db2.gz UXOVAVHCTSGQMG-VXGBXAGGSA-N 2 2 241.379 0.833 20 0 BCADLP CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040601428 169241702 /nfs/dbraw/zinc/24/17/02/169241702.db2.gz UXOVAVHCTSGQMG-VXGBXAGGSA-N 2 2 241.379 0.833 20 0 BCADLP CCC[NH2+][C@@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000296237772 169274496 /nfs/dbraw/zinc/27/44/96/169274496.db2.gz CLJDIJLBESLQND-MNOVXSKESA-N 2 2 238.335 0.776 20 0 BCADLP CCC[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000020040829 169369827 /nfs/dbraw/zinc/36/98/27/169369827.db2.gz LLXYHVZZUAVYLF-LLVKDONJSA-N 2 2 227.352 0.539 20 0 BCADLP CCC[C@@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000041051042 169389410 /nfs/dbraw/zinc/38/94/10/169389410.db2.gz VKQFJNVWSAAQAB-SECBINFHSA-N 2 2 210.281 0.127 20 0 BCADLP CC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@H+]2C)CC1 ZINC000221149335 134317090 /nfs/dbraw/zinc/31/70/90/134317090.db2.gz SQPCSZNMUZABBO-ZDUSSCGKSA-N 2 2 239.363 0.681 20 0 BCADLP CC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000221149335 134317091 /nfs/dbraw/zinc/31/70/91/134317091.db2.gz SQPCSZNMUZABBO-ZDUSSCGKSA-N 2 2 239.363 0.681 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCSC1 ZINC000225330520 134354190 /nfs/dbraw/zinc/35/41/90/134354190.db2.gz FLFAIAMOUZTQHA-NEPJUHHUSA-N 2 2 243.420 0.717 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCSC1 ZINC000225330520 134354191 /nfs/dbraw/zinc/35/41/91/134354191.db2.gz FLFAIAMOUZTQHA-NEPJUHHUSA-N 2 2 243.420 0.717 20 0 BCADLP CCN(C)C(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226873580 134371231 /nfs/dbraw/zinc/37/12/31/134371231.db2.gz VNHWARYJPWMUGC-WDEREUQCSA-N 2 2 227.352 0.537 20 0 BCADLP CCN(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226873580 134371232 /nfs/dbraw/zinc/37/12/32/134371232.db2.gz VNHWARYJPWMUGC-WDEREUQCSA-N 2 2 227.352 0.537 20 0 BCADLP C[C@H]([NH2+]CC[NH+](C)C)[C@@H]1CCCOC1 ZINC000308637947 383826031 /nfs/dbraw/zinc/82/60/31/383826031.db2.gz CXSBBCGHSXPXLS-WDEREUQCSA-N 2 2 200.326 0.953 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000069626994 383835016 /nfs/dbraw/zinc/83/50/16/383835016.db2.gz VGUNYJDQKMCDLX-KXUCPTDWSA-N 2 2 214.309 0.607 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000069626994 383835021 /nfs/dbraw/zinc/83/50/21/383835021.db2.gz VGUNYJDQKMCDLX-KXUCPTDWSA-N 2 2 214.309 0.607 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCCc1c[nH+]cn1C ZINC000315044123 383921987 /nfs/dbraw/zinc/92/19/87/383921987.db2.gz XWFREJXTRLVAHX-GHMZBOCLSA-N 3 2 222.336 0.774 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCCc1c[nH+]cn1C ZINC000315044123 383921992 /nfs/dbraw/zinc/92/19/92/383921992.db2.gz XWFREJXTRLVAHX-GHMZBOCLSA-N 3 2 222.336 0.774 20 0 BCADLP CCNC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000227735845 134386043 /nfs/dbraw/zinc/38/60/43/134386043.db2.gz FCZXLWINHAJUNQ-JTQLQIEISA-N 2 2 215.341 0.428 20 0 BCADLP CCNC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000227735845 134386045 /nfs/dbraw/zinc/38/60/45/134386045.db2.gz FCZXLWINHAJUNQ-JTQLQIEISA-N 2 2 215.341 0.428 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cn1 ZINC000113515305 383990188 /nfs/dbraw/zinc/99/01/88/383990188.db2.gz AIPXKKLUVCOPGI-LLVKDONJSA-N 2 2 222.336 0.804 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cn1 ZINC000113515305 383990194 /nfs/dbraw/zinc/99/01/94/383990194.db2.gz AIPXKKLUVCOPGI-LLVKDONJSA-N 2 2 222.336 0.804 20 0 BCADLP c1cn(CC[N@@H+]2CCC[C@@H]2Cn2cncn2)c[nH+]1 ZINC000363459414 384060543 /nfs/dbraw/zinc/06/05/43/384060543.db2.gz MAZNTXNYCOJKPM-GFCCVEGCSA-N 2 2 246.318 0.639 20 0 BCADLP c1cn(CC[N@H+]2CCC[C@@H]2Cn2cncn2)c[nH+]1 ZINC000363459414 384060548 /nfs/dbraw/zinc/06/05/48/384060548.db2.gz MAZNTXNYCOJKPM-GFCCVEGCSA-N 2 2 246.318 0.639 20 0 BCADLP C[C@@H]([NH3+])CCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000069839344 384065851 /nfs/dbraw/zinc/06/58/51/384065851.db2.gz JMTVNTUTYACUBM-NXEZZACHSA-N 2 2 224.308 0.515 20 0 BCADLP COC(=O)[C@@H](C)C[N@H+](C)CCn1cc[nH+]c1 ZINC000050068942 384104857 /nfs/dbraw/zinc/10/48/57/384104857.db2.gz MQEWEQVLTCEDPG-JTQLQIEISA-N 2 2 225.292 0.624 20 0 BCADLP COC(=O)[C@@H](C)C[N@@H+](C)CCn1cc[nH+]c1 ZINC000050068942 384104859 /nfs/dbraw/zinc/10/48/59/384104859.db2.gz MQEWEQVLTCEDPG-JTQLQIEISA-N 2 2 225.292 0.624 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000070577753 384122421 /nfs/dbraw/zinc/12/24/21/384122421.db2.gz NIOABXZROXNSIW-GHMZBOCLSA-N 2 2 236.319 0.517 20 0 BCADLP COC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609260049 384128590 /nfs/dbraw/zinc/12/85/90/384128590.db2.gz FKIYJDVLQQXMLC-SNVBAGLBSA-N 2 2 223.276 0.693 20 0 BCADLP COC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609260049 384128597 /nfs/dbraw/zinc/12/85/97/384128597.db2.gz FKIYJDVLQQXMLC-SNVBAGLBSA-N 2 2 223.276 0.693 20 0 BCADLP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449391927 384160460 /nfs/dbraw/zinc/16/04/60/384160460.db2.gz ZRHOWSBHVOQMEX-XQQFMLRXSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449391927 384160465 /nfs/dbraw/zinc/16/04/65/384160465.db2.gz ZRHOWSBHVOQMEX-XQQFMLRXSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449395655 384169544 /nfs/dbraw/zinc/16/95/44/384169544.db2.gz JNCNXYGUNKSAIW-RWMBFGLXSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449395655 384169549 /nfs/dbraw/zinc/16/95/49/384169549.db2.gz JNCNXYGUNKSAIW-RWMBFGLXSA-N 2 2 242.363 0.600 20 0 BCADLP C[NH+](C)C[C@](C)(O)CNc1cccc[nH+]1 ZINC000133046901 384223771 /nfs/dbraw/zinc/22/37/71/384223771.db2.gz OXUHGFUPFAHNEP-LLVKDONJSA-N 2 2 209.293 0.806 20 0 BCADLP CC(C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000082651693 384251333 /nfs/dbraw/zinc/25/13/33/384251333.db2.gz QMPHRQHNAPTDJR-NSHDSACASA-N 2 2 200.326 0.831 20 0 BCADLP CC(C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000082651693 384251340 /nfs/dbraw/zinc/25/13/40/384251340.db2.gz QMPHRQHNAPTDJR-NSHDSACASA-N 2 2 200.326 0.831 20 0 BCADLP CC(C)[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000082668961 384256357 /nfs/dbraw/zinc/25/63/57/384256357.db2.gz LROYDUMCJJSZRO-NWDGAFQWSA-N 2 2 213.369 0.866 20 0 BCADLP CC(C)[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000082668961 384256359 /nfs/dbraw/zinc/25/63/59/384256359.db2.gz LROYDUMCJJSZRO-NWDGAFQWSA-N 2 2 213.369 0.866 20 0 BCADLP CC[C@@H](C)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000082668986 384256910 /nfs/dbraw/zinc/25/69/10/384256910.db2.gz ZVLICUTZGAAFKL-VXGBXAGGSA-N 2 2 213.369 0.868 20 0 BCADLP CC[C@@H](C)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000082668986 384256913 /nfs/dbraw/zinc/25/69/13/384256913.db2.gz ZVLICUTZGAAFKL-VXGBXAGGSA-N 2 2 213.369 0.868 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)C1CC1 ZINC000082668972 384256957 /nfs/dbraw/zinc/25/69/57/384256957.db2.gz YUDUIEAZTXXOCT-ZYHUDNBSSA-N 2 2 211.353 0.620 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC000082668972 384256960 /nfs/dbraw/zinc/25/69/60/384256960.db2.gz YUDUIEAZTXXOCT-ZYHUDNBSSA-N 2 2 211.353 0.620 20 0 BCADLP [NH3+]C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC000132864774 384258096 /nfs/dbraw/zinc/25/80/96/384258096.db2.gz VUBGJIUUSDYKPV-JTQLQIEISA-N 2 2 222.292 0.223 20 0 BCADLP c1cn(CC[N@@H+]2CCOC[C@H]2C2CC2)c[nH+]1 ZINC000133750604 384311767 /nfs/dbraw/zinc/31/17/67/384311767.db2.gz OIXRQIZTCQHAKD-LBPRGKRZSA-N 2 2 221.304 0.994 20 0 BCADLP c1cn(CC[N@H+]2CCOC[C@H]2C2CC2)c[nH+]1 ZINC000133750604 384311771 /nfs/dbraw/zinc/31/17/71/384311771.db2.gz OIXRQIZTCQHAKD-LBPRGKRZSA-N 2 2 221.304 0.994 20 0 BCADLP Cc1noc(C)c1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000228721949 384314787 /nfs/dbraw/zinc/31/47/87/384314787.db2.gz ZVXQSJDFZXGNJD-LBPRGKRZSA-N 2 2 241.335 0.694 20 0 BCADLP C[C@H](NC[C@]1(O)CC[N@H+](C)C1)c1[nH]cc[nH+]1 ZINC000330364051 384364787 /nfs/dbraw/zinc/36/47/87/384364787.db2.gz COYIDTUTTJATSV-GXSJLCMTSA-N 2 2 224.308 0.127 20 0 BCADLP C[C@H](NC[C@]1(O)CC[N@@H+](C)C1)c1[nH]cc[nH+]1 ZINC000330364051 384364790 /nfs/dbraw/zinc/36/47/90/384364790.db2.gz COYIDTUTTJATSV-GXSJLCMTSA-N 2 2 224.308 0.127 20 0 BCADLP COC(=O)[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000095020420 384326755 /nfs/dbraw/zinc/32/67/55/384326755.db2.gz WYRDJKVCMYWRFS-LLVKDONJSA-N 2 2 237.303 0.768 20 0 BCADLP COC(=O)[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000095020420 384326759 /nfs/dbraw/zinc/32/67/59/384326759.db2.gz WYRDJKVCMYWRFS-LLVKDONJSA-N 2 2 237.303 0.768 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CCOC1 ZINC000309495164 384392563 /nfs/dbraw/zinc/39/25/63/384392563.db2.gz YZCHDTQHCRAAOU-NWDGAFQWSA-N 2 2 228.336 0.162 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CCOC1 ZINC000309495164 384392577 /nfs/dbraw/zinc/39/25/77/384392577.db2.gz YZCHDTQHCRAAOU-NWDGAFQWSA-N 2 2 228.336 0.162 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+](C)[C@H]1CCOC1)C1CC1 ZINC000309495164 384392580 /nfs/dbraw/zinc/39/25/80/384392580.db2.gz YZCHDTQHCRAAOU-NWDGAFQWSA-N 2 2 228.336 0.162 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+](C)[C@H]1CCOC1)C1CC1 ZINC000309495164 384392588 /nfs/dbraw/zinc/39/25/88/384392588.db2.gz YZCHDTQHCRAAOU-NWDGAFQWSA-N 2 2 228.336 0.162 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000335644628 384415509 /nfs/dbraw/zinc/41/55/09/384415509.db2.gz UNLKIAGJJVICRW-KOLCDFICSA-N 2 2 208.309 0.650 20 0 BCADLP C[N@H+](CC(=O)N1CCCC1)C[C@]1(C)CC[NH2+]C1 ZINC000647513664 384422638 /nfs/dbraw/zinc/42/26/38/384422638.db2.gz WILWEDSAURTQJW-CYBMUJFWSA-N 2 2 239.363 0.540 20 0 BCADLP C[N@@H+](CC(=O)N1CCCC1)C[C@]1(C)CC[NH2+]C1 ZINC000647513664 384422646 /nfs/dbraw/zinc/42/26/46/384422646.db2.gz WILWEDSAURTQJW-CYBMUJFWSA-N 2 2 239.363 0.540 20 0 BCADLP Cc1cn[nH]c1C[NH2+]C1CC[NH+](C)CC1 ZINC000335604836 384376195 /nfs/dbraw/zinc/37/61/95/384376195.db2.gz TZHCQLKPEROKTQ-UHFFFAOYSA-N 2 2 208.309 0.902 20 0 BCADLP Cc1n[nH]cc1C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000335609139 384384110 /nfs/dbraw/zinc/38/41/10/384384110.db2.gz ZGFLRAYIIHNVAH-KCJUWKMLSA-N 2 2 208.309 0.758 20 0 BCADLP Cc1n[nH]cc1C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000335609139 384384111 /nfs/dbraw/zinc/38/41/11/384384111.db2.gz ZGFLRAYIIHNVAH-KCJUWKMLSA-N 2 2 208.309 0.758 20 0 BCADLP Cc1cc(NC(=O)NC[C@H]2CCC[NH2+]2)c(C)c[nH+]1 ZINC000560996676 384440246 /nfs/dbraw/zinc/44/02/46/384440246.db2.gz GGXQJXCDXNOBCC-LLVKDONJSA-N 2 2 248.330 0.994 20 0 BCADLP CC(C)[C@](C)(C[NH3+])NC(=O)CCn1cc[nH+]c1 ZINC000122138698 384460757 /nfs/dbraw/zinc/46/07/57/384460757.db2.gz MEZYBCGOXDHAMW-LBPRGKRZSA-N 2 2 238.335 0.763 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448021622 384462950 /nfs/dbraw/zinc/46/29/50/384462950.db2.gz JRDQYQSDSSBEHU-WDEREUQCSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448021622 384462957 /nfs/dbraw/zinc/46/29/57/384462957.db2.gz JRDQYQSDSSBEHU-WDEREUQCSA-N 2 2 241.379 0.960 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc3c2NCC3)CCO1 ZINC000357951899 384458165 /nfs/dbraw/zinc/45/81/65/384458165.db2.gz ZYRVXBLLCLXYQC-CYBMUJFWSA-N 2 2 247.342 0.814 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3c2NCC3)CCO1 ZINC000357951899 384458173 /nfs/dbraw/zinc/45/81/73/384458173.db2.gz ZYRVXBLLCLXYQC-CYBMUJFWSA-N 2 2 247.342 0.814 20 0 BCADLP Cn1c[nH+]cc1CN1CCCC[C@H]1C(=[NH2+])NO ZINC000372309524 384505088 /nfs/dbraw/zinc/50/50/88/384505088.db2.gz OLBQDSDPTBSGGJ-JTQLQIEISA-N 2 2 237.307 0.731 20 0 BCADLP C[C@H](CN[C@H]1CCn2cc[nH+]c21)[NH+](C)C ZINC000294096179 384524086 /nfs/dbraw/zinc/52/40/86/384524086.db2.gz MJTIBMMIFWVYFD-ZJUUUORDSA-N 2 2 208.309 0.868 20 0 BCADLP C[C@H](CNC(=O)CCCC[NH3+])Cn1cc[nH+]c1 ZINC000569607602 384530150 /nfs/dbraw/zinc/53/01/50/384530150.db2.gz SDWNDOXPSQTUPS-LLVKDONJSA-N 2 2 238.335 0.764 20 0 BCADLP CC(C)n1ccc(C[N@H+](C)CCOCC[NH3+])n1 ZINC000306064455 384570379 /nfs/dbraw/zinc/57/03/79/384570379.db2.gz YBPGRWHWOHFBAS-UHFFFAOYSA-N 2 2 240.351 0.871 20 0 BCADLP CC(C)n1ccc(C[N@@H+](C)CCOCC[NH3+])n1 ZINC000306064455 384570385 /nfs/dbraw/zinc/57/03/85/384570385.db2.gz YBPGRWHWOHFBAS-UHFFFAOYSA-N 2 2 240.351 0.871 20 0 BCADLP Cc1cnn(CC[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000643065590 384575954 /nfs/dbraw/zinc/57/59/54/384575954.db2.gz CXLOMNSJKODBMO-OLZOCXBDSA-N 2 2 234.347 0.875 20 0 BCADLP Cc1cnn(CC[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000643065590 384575963 /nfs/dbraw/zinc/57/59/63/384575963.db2.gz CXLOMNSJKODBMO-OLZOCXBDSA-N 2 2 234.347 0.875 20 0 BCADLP CC[C@@H](O)C[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000647529776 384611706 /nfs/dbraw/zinc/61/17/06/384611706.db2.gz AZZRAUHBBUDMAO-VXGBXAGGSA-N 2 2 230.352 0.194 20 0 BCADLP CC[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000647529776 384611713 /nfs/dbraw/zinc/61/17/13/384611713.db2.gz AZZRAUHBBUDMAO-VXGBXAGGSA-N 2 2 230.352 0.194 20 0 BCADLP O=C(NCc1c[nH+]c[nH]1)[C@@H]1C[NH2+]CCC1(F)F ZINC000648154598 384596106 /nfs/dbraw/zinc/59/61/06/384596106.db2.gz OGHRPGSRKDWREB-QMMMGPOBSA-N 2 2 244.245 0.271 20 0 BCADLP O=C(NCc1c[nH]c[nH+]1)[C@@H]1C[NH2+]CCC1(F)F ZINC000648154598 384596113 /nfs/dbraw/zinc/59/61/13/384596113.db2.gz OGHRPGSRKDWREB-QMMMGPOBSA-N 2 2 244.245 0.271 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)CC(C)(C)O ZINC000086274402 384632219 /nfs/dbraw/zinc/63/22/19/384632219.db2.gz BJFHJZOUSMTNRG-UHFFFAOYSA-N 2 2 211.309 0.976 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)CC(C)(C)O ZINC000086274402 384632223 /nfs/dbraw/zinc/63/22/23/384632223.db2.gz BJFHJZOUSMTNRG-UHFFFAOYSA-N 2 2 211.309 0.976 20 0 BCADLP Cc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)nn1C ZINC000647536658 384665032 /nfs/dbraw/zinc/66/50/32/384665032.db2.gz RHJLQOGAJIHAHC-LBPRGKRZSA-N 2 2 222.336 0.899 20 0 BCADLP Cc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)nn1C ZINC000647536658 384665040 /nfs/dbraw/zinc/66/50/40/384665040.db2.gz RHJLQOGAJIHAHC-LBPRGKRZSA-N 2 2 222.336 0.899 20 0 BCADLP C[NH+](C)CCNc1[nH+]cnc2[nH]ccc21 ZINC000082358969 384671134 /nfs/dbraw/zinc/67/11/34/384671134.db2.gz LVNTWNJJISNLPS-UHFFFAOYSA-N 2 2 205.265 0.931 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638282 384671660 /nfs/dbraw/zinc/67/16/60/384671660.db2.gz AVPBLQKZGNWNNA-VIFPVBQESA-N 2 2 216.325 0.855 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638282 384671664 /nfs/dbraw/zinc/67/16/64/384671664.db2.gz AVPBLQKZGNWNNA-VIFPVBQESA-N 2 2 216.325 0.855 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246970443 384646085 /nfs/dbraw/zinc/64/60/85/384646085.db2.gz CLUIEMGUIOHGCJ-OUAUKWLOSA-N 2 2 236.319 0.640 20 0 BCADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246970443 384646090 /nfs/dbraw/zinc/64/60/90/384646090.db2.gz CLUIEMGUIOHGCJ-OUAUKWLOSA-N 2 2 236.319 0.640 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647534422 384646584 /nfs/dbraw/zinc/64/65/84/384646584.db2.gz NICGXMVXYMUGEJ-ZYHUDNBSSA-N 2 2 220.320 0.604 20 0 BCADLP Cn1nccc1C[NH2+]CCn1cc[nH+]c1 ZINC000041050956 384652952 /nfs/dbraw/zinc/65/29/52/384652952.db2.gz DPBIAKDAXJRPLF-UHFFFAOYSA-N 2 2 205.265 0.406 20 0 BCADLP C[N@H+](C[C@@]1(C)CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000309492037 384653524 /nfs/dbraw/zinc/65/35/24/384653524.db2.gz IVKTVLWWZARPKI-LBPRGKRZSA-N 3 2 211.353 0.670 20 0 BCADLP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000309492037 384653529 /nfs/dbraw/zinc/65/35/29/384653529.db2.gz IVKTVLWWZARPKI-LBPRGKRZSA-N 3 2 211.353 0.670 20 0 BCADLP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)nc1 ZINC000358136603 384691686 /nfs/dbraw/zinc/69/16/86/384691686.db2.gz LKJBJJJERJFZNN-CYBMUJFWSA-N 2 2 235.331 0.546 20 0 BCADLP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)nc1 ZINC000358136603 384691691 /nfs/dbraw/zinc/69/16/91/384691691.db2.gz LKJBJJJERJFZNN-CYBMUJFWSA-N 2 2 235.331 0.546 20 0 BCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1CC[NH+]1CCOCC1 ZINC000357001845 384702171 /nfs/dbraw/zinc/70/21/71/384702171.db2.gz MUUPVKUFIFNHMM-STQMWFEESA-N 2 2 241.379 0.343 20 0 BCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1CC[NH+]1CCOCC1 ZINC000357001845 384702174 /nfs/dbraw/zinc/70/21/74/384702174.db2.gz MUUPVKUFIFNHMM-STQMWFEESA-N 2 2 241.379 0.343 20 0 BCADLP C[C@]1(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC[NH2+]C1 ZINC000647542282 384705817 /nfs/dbraw/zinc/70/58/17/384705817.db2.gz DRFHPAFWENVEOJ-AGIUHOORSA-N 3 2 223.364 0.670 20 0 BCADLP C[C@]1(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC[NH2+]C1 ZINC000647542282 384705824 /nfs/dbraw/zinc/70/58/24/384705824.db2.gz DRFHPAFWENVEOJ-AGIUHOORSA-N 3 2 223.364 0.670 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886593 384710953 /nfs/dbraw/zinc/71/09/53/384710953.db2.gz VKUABSKEZAGRPK-ZJUUUORDSA-N 2 2 213.325 0.182 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886593 384710960 /nfs/dbraw/zinc/71/09/60/384710960.db2.gz VKUABSKEZAGRPK-ZJUUUORDSA-N 2 2 213.325 0.182 20 0 BCADLP C[NH+](C)C1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000118143170 384774702 /nfs/dbraw/zinc/77/47/02/384774702.db2.gz XSTWCQJNMBPGBX-UHFFFAOYSA-N 2 2 208.309 0.936 20 0 BCADLP C[NH+](C)C1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000118143170 384774707 /nfs/dbraw/zinc/77/47/07/384774707.db2.gz XSTWCQJNMBPGBX-UHFFFAOYSA-N 2 2 208.309 0.936 20 0 BCADLP CCC(CC)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000087613579 384776240 /nfs/dbraw/zinc/77/62/40/384776240.db2.gz DNTXEFBVZUFGRW-LLVKDONJSA-N 2 2 227.352 0.524 20 0 BCADLP CCC(CC)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000087613579 384776246 /nfs/dbraw/zinc/77/62/46/384776246.db2.gz DNTXEFBVZUFGRW-LLVKDONJSA-N 2 2 227.352 0.524 20 0 BCADLP C[C@H]([NH2+][C@H]1C[NH2+]C[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000647546729 384732839 /nfs/dbraw/zinc/73/28/39/384732839.db2.gz YBECZBSTBQTWPA-ZDEQEGDKSA-N 3 2 225.380 0.962 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000647547123 384737941 /nfs/dbraw/zinc/73/79/41/384737941.db2.gz OHRLHLDDSJWGNA-IRCOFANPSA-N 3 2 211.353 0.844 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000647551862 384752662 /nfs/dbraw/zinc/75/26/62/384752662.db2.gz RXJIAKNXNZYHLK-VXGBXAGGSA-N 3 2 227.352 0.036 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000647551862 384752665 /nfs/dbraw/zinc/75/26/65/384752665.db2.gz RXJIAKNXNZYHLK-VXGBXAGGSA-N 3 2 227.352 0.036 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCCO1 ZINC000647551860 384754495 /nfs/dbraw/zinc/75/44/95/384754495.db2.gz RXJIAKNXNZYHLK-NWDGAFQWSA-N 3 2 227.352 0.036 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCCO1 ZINC000647551860 384754500 /nfs/dbraw/zinc/75/45/00/384754500.db2.gz RXJIAKNXNZYHLK-NWDGAFQWSA-N 3 2 227.352 0.036 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000647551859 384754858 /nfs/dbraw/zinc/75/48/58/384754858.db2.gz RXJIAKNXNZYHLK-NEPJUHHUSA-N 3 2 227.352 0.036 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000647551859 384754864 /nfs/dbraw/zinc/75/48/64/384754864.db2.gz RXJIAKNXNZYHLK-NEPJUHHUSA-N 3 2 227.352 0.036 20 0 BCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC000647550986 384765258 /nfs/dbraw/zinc/76/52/58/384765258.db2.gz RKOUNYNKHVINDZ-OUAUKWLOSA-N 2 2 248.392 0.397 20 0 BCADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000647550941 384765706 /nfs/dbraw/zinc/76/57/06/384765706.db2.gz PSXSNWFKLRHOQA-DCAQKATOSA-N 2 2 237.347 0.337 20 0 BCADLP CC[C@H](CCO)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000308577595 384819756 /nfs/dbraw/zinc/81/97/56/384819756.db2.gz FCSNRZYRHWPUGT-HBNTYKKESA-N 2 2 200.326 0.687 20 0 BCADLP CC[C@H](CCO)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000308577595 384819762 /nfs/dbraw/zinc/81/97/62/384819762.db2.gz FCSNRZYRHWPUGT-HBNTYKKESA-N 2 2 200.326 0.687 20 0 BCADLP CC[NH2+]CCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000566509192 384825199 /nfs/dbraw/zinc/82/51/99/384825199.db2.gz PZPIWEQDQPQEGS-UHFFFAOYSA-N 2 2 225.296 0.161 20 0 BCADLP CC[NH2+]CCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000566509192 384825204 /nfs/dbraw/zinc/82/52/04/384825204.db2.gz PZPIWEQDQPQEGS-UHFFFAOYSA-N 2 2 225.296 0.161 20 0 BCADLP CCN1CCC[N@H+](CCC[NH2+]C)CC1=O ZINC000108362438 384781489 /nfs/dbraw/zinc/78/14/89/384781489.db2.gz PQSYFXAJTYWQPS-UHFFFAOYSA-N 2 2 213.325 0.150 20 0 BCADLP CCN1CCC[N@@H+](CCC[NH2+]C)CC1=O ZINC000108362438 384781495 /nfs/dbraw/zinc/78/14/95/384781495.db2.gz PQSYFXAJTYWQPS-UHFFFAOYSA-N 2 2 213.325 0.150 20 0 BCADLP COC(=O)CCC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000601330061 384789824 /nfs/dbraw/zinc/78/98/24/384789824.db2.gz PXAFBCYZEFPZAN-IUCAKERBSA-N 2 2 200.282 0.361 20 0 BCADLP COC(=O)CCC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000601330061 384789829 /nfs/dbraw/zinc/78/98/29/384789829.db2.gz PXAFBCYZEFPZAN-IUCAKERBSA-N 2 2 200.282 0.361 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccnn1C ZINC000335644677 384801538 /nfs/dbraw/zinc/80/15/38/384801538.db2.gz XGLPJDDITVWYLD-KOLCDFICSA-N 2 2 208.309 0.650 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000398121777 384811425 /nfs/dbraw/zinc/81/14/25/384811425.db2.gz GXABBRJFVADNEY-XQHKEYJVSA-N 2 2 242.363 0.911 20 0 BCADLP CCCC[C@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000305956483 384879266 /nfs/dbraw/zinc/87/92/66/384879266.db2.gz DRMSBEHBUBSLAQ-NWDGAFQWSA-N 2 2 241.379 0.914 20 0 BCADLP C[C@H](O)CCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000308628754 384880327 /nfs/dbraw/zinc/88/03/27/384880327.db2.gz YBPQMHFUVCMBIV-DCAQKATOSA-N 2 2 200.326 0.687 20 0 BCADLP C[C@H](O)CCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000308628754 384880332 /nfs/dbraw/zinc/88/03/32/384880332.db2.gz YBPQMHFUVCMBIV-DCAQKATOSA-N 2 2 200.326 0.687 20 0 BCADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000301034547 384842924 /nfs/dbraw/zinc/84/29/24/384842924.db2.gz STHHAOBEGMGBHL-HBNTYKKESA-N 2 2 200.326 0.951 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H](CO)C1)C1CC1 ZINC000310135324 384850101 /nfs/dbraw/zinc/85/01/01/384850101.db2.gz ZDXBHLBLMRYKGX-AAEUAGOBSA-N 2 2 242.363 0.146 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H](CO)C1)C1CC1 ZINC000310135324 384850106 /nfs/dbraw/zinc/85/01/06/384850106.db2.gz ZDXBHLBLMRYKGX-AAEUAGOBSA-N 2 2 242.363 0.146 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H](CO)C1)C1CC1 ZINC000310135324 384850112 /nfs/dbraw/zinc/85/01/12/384850112.db2.gz ZDXBHLBLMRYKGX-AAEUAGOBSA-N 2 2 242.363 0.146 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H](CO)C1)C1CC1 ZINC000310135324 384850113 /nfs/dbraw/zinc/85/01/13/384850113.db2.gz ZDXBHLBLMRYKGX-AAEUAGOBSA-N 2 2 242.363 0.146 20 0 BCADLP Cn1cc(C[NH2+]CCCCn2cc[nH+]c2)nn1 ZINC000054861075 384859204 /nfs/dbraw/zinc/85/92/04/384859204.db2.gz SVEWWZIPMOCCOS-UHFFFAOYSA-N 2 2 234.307 0.582 20 0 BCADLP C[C@@H](CNCc1c[nH+]cn1C)[N@H+](C)C1CC1 ZINC000105487853 384867710 /nfs/dbraw/zinc/86/77/10/384867710.db2.gz XLTONMVUAYOYOX-JTQLQIEISA-N 2 2 222.336 0.992 20 0 BCADLP C[C@@H](CNCc1c[nH+]cn1C)[N@@H+](C)C1CC1 ZINC000105487853 384867714 /nfs/dbraw/zinc/86/77/14/384867714.db2.gz XLTONMVUAYOYOX-JTQLQIEISA-N 2 2 222.336 0.992 20 0 BCADLP CCCCOC[C@H](O)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000644547775 384951391 /nfs/dbraw/zinc/95/13/91/384951391.db2.gz RHIPHIUQRLUAKR-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP CCCCOC[C@H](O)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000644547775 384951399 /nfs/dbraw/zinc/95/13/99/384951399.db2.gz RHIPHIUQRLUAKR-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP CC(C)OCC[C@H](O)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000644547784 384951517 /nfs/dbraw/zinc/95/15/17/384951517.db2.gz SRBXTLWHUXNEKY-STQMWFEESA-N 2 2 244.379 0.846 20 0 BCADLP CC(C)OCC[C@H](O)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000644547784 384951521 /nfs/dbraw/zinc/95/15/21/384951521.db2.gz SRBXTLWHUXNEKY-STQMWFEESA-N 2 2 244.379 0.846 20 0 BCADLP [NH3+][C@@H]1CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000258942782 384952262 /nfs/dbraw/zinc/95/22/62/384952262.db2.gz KWPZHDXUHAVEIP-MRVPVSSYSA-N 2 2 219.292 0.588 20 0 BCADLP Fc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000258984126 384954641 /nfs/dbraw/zinc/95/46/41/384954641.db2.gz UXVALDUJTYNXGQ-LBPRGKRZSA-N 2 2 224.279 0.904 20 0 BCADLP CN1CC[NH2+]C[C@H]1CNc1cccc[nH+]1 ZINC000259020576 384955031 /nfs/dbraw/zinc/95/50/31/384955031.db2.gz YLFIKUGXUGASND-JTQLQIEISA-N 2 2 206.293 0.397 20 0 BCADLP CC[C@H](O)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000644557041 384957471 /nfs/dbraw/zinc/95/74/71/384957471.db2.gz WTWGDNJDHODINS-RYUDHWBXSA-N 2 2 212.337 0.831 20 0 BCADLP CC[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000644557041 384957479 /nfs/dbraw/zinc/95/74/79/384957479.db2.gz WTWGDNJDHODINS-RYUDHWBXSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@H](CCO)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000308650900 384893911 /nfs/dbraw/zinc/89/39/11/384893911.db2.gz KIXYCUUNPCISOX-GMTAPVOTSA-N 2 2 200.326 0.545 20 0 BCADLP C[C@H](CCO)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000308650900 384893919 /nfs/dbraw/zinc/89/39/19/384893919.db2.gz KIXYCUUNPCISOX-GMTAPVOTSA-N 2 2 200.326 0.545 20 0 BCADLP C[C@@H](O)C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000644514915 384925534 /nfs/dbraw/zinc/92/55/34/384925534.db2.gz LWJXBXNKMYQLQS-SNVBAGLBSA-N 2 2 219.288 0.847 20 0 BCADLP CCCCNC(=O)[C@@H](C)[NH+]1CCC([NH3+])CC1 ZINC000034939781 384930111 /nfs/dbraw/zinc/93/01/11/384930111.db2.gz ZZYQTDJESYWEPT-SNVBAGLBSA-N 2 2 227.352 0.714 20 0 BCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC000258795674 384945174 /nfs/dbraw/zinc/94/51/74/384945174.db2.gz AEBASXSASFKYRD-ZDUSSCGKSA-N 2 2 237.322 0.819 20 0 BCADLP CCOCC[C@H](O)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000644547681 384946904 /nfs/dbraw/zinc/94/69/04/384946904.db2.gz ITDFJAJMCPRVCV-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP CCOCC[C@H](O)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000644547681 384946907 /nfs/dbraw/zinc/94/69/07/384946907.db2.gz ITDFJAJMCPRVCV-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP O=C(CC[C@@H]1CCC[NH2+]1)NCc1[nH]cc[nH+]1 ZINC000261587295 384966438 /nfs/dbraw/zinc/96/64/38/384966438.db2.gz RQVVFLWOTNHWKP-VIFPVBQESA-N 2 2 222.292 0.558 20 0 BCADLP C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]1CCC[NH2+]C1 ZINC000226435041 385021295 /nfs/dbraw/zinc/02/12/95/385021295.db2.gz SZFQWYIGRTVYLJ-LLVKDONJSA-N 2 2 241.379 0.833 20 0 BCADLP C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]1CCC[NH2+]C1 ZINC000226435041 385021304 /nfs/dbraw/zinc/02/13/04/385021304.db2.gz SZFQWYIGRTVYLJ-LLVKDONJSA-N 2 2 241.379 0.833 20 0 BCADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)COC ZINC000644569319 384966615 /nfs/dbraw/zinc/96/66/15/384966615.db2.gz HJMXIQYMCJSONZ-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP CC[C@@H](O)C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000644572031 384981158 /nfs/dbraw/zinc/98/11/58/384981158.db2.gz YAHBQYKKXVPBOR-NWDGAFQWSA-N 2 2 230.352 0.315 20 0 BCADLP CC(C)Cn1cc[nH+]c1CNC(=O)C[NH+](C)C ZINC000175924879 384983494 /nfs/dbraw/zinc/98/34/94/384983494.db2.gz CVTGNHPQTNVANC-UHFFFAOYSA-N 2 2 238.335 0.717 20 0 BCADLP C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)[C@@H](C(N)=O)C1 ZINC000249557821 384989502 /nfs/dbraw/zinc/98/95/02/384989502.db2.gz KMUNLIMZYGGPCZ-GHMZBOCLSA-N 2 2 236.319 0.469 20 0 BCADLP C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@@H](C(N)=O)C1 ZINC000249557821 384989509 /nfs/dbraw/zinc/98/95/09/384989509.db2.gz KMUNLIMZYGGPCZ-GHMZBOCLSA-N 2 2 236.319 0.469 20 0 BCADLP COC[C@H](O)C[NH2+]Cc1ccn2cc[nH+]c2c1 ZINC000644597928 385000666 /nfs/dbraw/zinc/00/06/66/385000666.db2.gz BVGWMMNBRZBQNM-LLVKDONJSA-N 2 2 235.287 0.431 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](Cc2ccns2)CCCO1 ZINC000404473983 385009298 /nfs/dbraw/zinc/00/92/98/385009298.db2.gz URXAJMWZMAQJOY-VIFPVBQESA-N 2 2 227.333 0.693 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccns2)CCCO1 ZINC000404473983 385009306 /nfs/dbraw/zinc/00/93/06/385009306.db2.gz URXAJMWZMAQJOY-VIFPVBQESA-N 2 2 227.333 0.693 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccns2)CCCO1 ZINC000404473981 385010612 /nfs/dbraw/zinc/01/06/12/385010612.db2.gz URXAJMWZMAQJOY-SECBINFHSA-N 2 2 227.333 0.693 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccns2)CCCO1 ZINC000404473981 385010617 /nfs/dbraw/zinc/01/06/17/385010617.db2.gz URXAJMWZMAQJOY-SECBINFHSA-N 2 2 227.333 0.693 20 0 BCADLP CC[C@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000644625728 385020499 /nfs/dbraw/zinc/02/04/99/385020499.db2.gz NPUZOLGMJPBRSE-UWVGGRQHSA-N 2 2 209.293 0.558 20 0 BCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Cn2cc[nH+]c2)C1 ZINC000646914097 385066579 /nfs/dbraw/zinc/06/65/79/385066579.db2.gz PKPDKXBRGWVOSO-QWRGUYRKSA-N 2 2 234.303 0.046 20 0 BCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)Cn2cc[nH+]c2)C1 ZINC000646914097 385066585 /nfs/dbraw/zinc/06/65/85/385066585.db2.gz PKPDKXBRGWVOSO-QWRGUYRKSA-N 2 2 234.303 0.046 20 0 BCADLP C[N@@H+]1C[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C1 ZINC000646914298 385066911 /nfs/dbraw/zinc/06/69/11/385066911.db2.gz UTHHVEWBRFEOQM-PWSUYJOCSA-N 2 2 248.330 0.505 20 0 BCADLP C[N@H+]1C[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C1 ZINC000646914298 385066919 /nfs/dbraw/zinc/06/69/19/385066919.db2.gz UTHHVEWBRFEOQM-PWSUYJOCSA-N 2 2 248.330 0.505 20 0 BCADLP C[N@@H+]1C[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C1 ZINC000646914298 385066924 /nfs/dbraw/zinc/06/69/24/385066924.db2.gz UTHHVEWBRFEOQM-PWSUYJOCSA-N 2 2 248.330 0.505 20 0 BCADLP C[N@H+]1C[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C1 ZINC000646914298 385066930 /nfs/dbraw/zinc/06/69/30/385066930.db2.gz UTHHVEWBRFEOQM-PWSUYJOCSA-N 2 2 248.330 0.505 20 0 BCADLP c1cn(CCn2cc([C@H]3CCC[NH2+]C3)nn2)c[nH+]1 ZINC000404645440 385038422 /nfs/dbraw/zinc/03/84/22/385038422.db2.gz NWLRPUOBLIADML-NSHDSACASA-N 2 2 246.318 0.642 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000157257775 385116438 /nfs/dbraw/zinc/11/64/38/385116438.db2.gz IPJMPPZDAIRLNT-NXEZZACHSA-N 2 2 236.319 0.586 20 0 BCADLP c1cn(CCn2cc(C3CC[NH2+]CC3)nn2)c[nH+]1 ZINC000404876900 385120484 /nfs/dbraw/zinc/12/04/84/385120484.db2.gz PNTZTMWSIHJOKN-UHFFFAOYSA-N 2 2 246.318 0.642 20 0 BCADLP [NH3+]C1(C(=O)NCCc2[nH]cc[nH+]2)CCCCC1 ZINC000157264699 385131212 /nfs/dbraw/zinc/13/12/12/385131212.db2.gz KNKUPBJFURYTBF-UHFFFAOYSA-N 2 2 236.319 0.730 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2CC23CC[NH2+]CC3)c[nH+]1 ZINC000647055288 385195819 /nfs/dbraw/zinc/19/58/19/385195819.db2.gz UBDVPHNJRSBCPW-SNVBAGLBSA-N 2 2 234.303 0.590 20 0 BCADLP C[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000647020824 385148636 /nfs/dbraw/zinc/14/86/36/385148636.db2.gz NPIFENVRDYARKE-LHLIQPBNSA-N 2 2 243.257 0.428 20 0 BCADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2cn(C)nn2)C[C@H]1C[NH3+] ZINC000397439460 385150477 /nfs/dbraw/zinc/15/04/77/385150477.db2.gz DTVYTTJHPWOIRB-GMTAPVOTSA-N 2 2 237.351 0.620 20 0 BCADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cn(C)nn2)C[C@H]1C[NH3+] ZINC000397439460 385150482 /nfs/dbraw/zinc/15/04/82/385150482.db2.gz DTVYTTJHPWOIRB-GMTAPVOTSA-N 2 2 237.351 0.620 20 0 BCADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC000178207494 385207189 /nfs/dbraw/zinc/20/71/89/385207189.db2.gz NGPVKEWVERQSJD-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC000178207494 385207194 /nfs/dbraw/zinc/20/71/94/385207194.db2.gz NGPVKEWVERQSJD-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000178207494 385207199 /nfs/dbraw/zinc/20/71/99/385207199.db2.gz NGPVKEWVERQSJD-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000178207494 385207200 /nfs/dbraw/zinc/20/72/00/385207200.db2.gz NGPVKEWVERQSJD-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP Cn1c[nH+]cc1Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000404985117 385220079 /nfs/dbraw/zinc/22/00/79/385220079.db2.gz HTMLWLSJSOJAQB-UHFFFAOYSA-N 2 2 246.318 0.527 20 0 BCADLP CCCC[N@H+](CCn1cc[nH+]c1)CC(N)=O ZINC000131151020 385312773 /nfs/dbraw/zinc/31/27/73/385312773.db2.gz UPNXXJMJSPUIKL-UHFFFAOYSA-N 2 2 224.308 0.471 20 0 BCADLP CCCC[N@@H+](CCn1cc[nH+]c1)CC(N)=O ZINC000131151020 385312778 /nfs/dbraw/zinc/31/27/78/385312778.db2.gz UPNXXJMJSPUIKL-UHFFFAOYSA-N 2 2 224.308 0.471 20 0 BCADLP CC(C)N(C)C(=O)C[NH+]1CCC([NH3+])CC1 ZINC000019816746 385316207 /nfs/dbraw/zinc/31/62/07/385316207.db2.gz BXILDBZJQXBYRX-UHFFFAOYSA-N 2 2 213.325 0.276 20 0 BCADLP CC[N@H+](CCCn1cc[nH+]c1)CC(N)=O ZINC000191725882 385319486 /nfs/dbraw/zinc/31/94/86/385319486.db2.gz NGFVXLIFZKCBDF-UHFFFAOYSA-N 2 2 210.281 0.080 20 0 BCADLP CC[N@@H+](CCCn1cc[nH+]c1)CC(N)=O ZINC000191725882 385319490 /nfs/dbraw/zinc/31/94/90/385319490.db2.gz NGFVXLIFZKCBDF-UHFFFAOYSA-N 2 2 210.281 0.080 20 0 BCADLP C[C@@H](O)C[N@H+](CCCn1cc[nH+]c1)[C@@H](C)CO ZINC000190895925 385266139 /nfs/dbraw/zinc/26/61/39/385266139.db2.gz HNMYFKPWOLCGKN-NWDGAFQWSA-N 2 2 241.335 0.337 20 0 BCADLP C[C@@H](O)C[N@@H+](CCCn1cc[nH+]c1)[C@@H](C)CO ZINC000190895925 385266145 /nfs/dbraw/zinc/26/61/45/385266145.db2.gz HNMYFKPWOLCGKN-NWDGAFQWSA-N 2 2 241.335 0.337 20 0 BCADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CCCOC1)CC2 ZINC000309330680 385281956 /nfs/dbraw/zinc/28/19/56/385281956.db2.gz HRPCYAJRTDSSQW-QWRGUYRKSA-N 2 2 221.304 0.967 20 0 BCADLP COC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C1CC1 ZINC000308928479 385289070 /nfs/dbraw/zinc/28/90/70/385289070.db2.gz IYEYFGUVBNCFDD-JLLWLGSASA-N 2 2 212.337 0.951 20 0 BCADLP COC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C1CC1 ZINC000308928479 385289072 /nfs/dbraw/zinc/28/90/72/385289072.db2.gz IYEYFGUVBNCFDD-JLLWLGSASA-N 2 2 212.337 0.951 20 0 BCADLP COC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)C1CC1 ZINC000308928477 385289364 /nfs/dbraw/zinc/28/93/64/385289364.db2.gz IYEYFGUVBNCFDD-DLOVCJGASA-N 2 2 212.337 0.951 20 0 BCADLP COC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)C1CC1 ZINC000308928477 385289375 /nfs/dbraw/zinc/28/93/75/385289375.db2.gz IYEYFGUVBNCFDD-DLOVCJGASA-N 2 2 212.337 0.951 20 0 BCADLP CC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@H]1CCOC1 ZINC000390487271 385343289 /nfs/dbraw/zinc/34/32/89/385343289.db2.gz OAKCRWGEEYKTTD-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C[C@H](O)C[N@H+](C)CC)[C@H]1CCOC1 ZINC000390487271 385343292 /nfs/dbraw/zinc/34/32/92/385343292.db2.gz OAKCRWGEEYKTTD-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](CC)[C@H]1CCOC1 ZINC000390487271 385343295 /nfs/dbraw/zinc/34/32/95/385343295.db2.gz OAKCRWGEEYKTTD-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)[C@H]1CCOC1 ZINC000390487271 385343299 /nfs/dbraw/zinc/34/32/99/385343299.db2.gz OAKCRWGEEYKTTD-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000165173028 385355118 /nfs/dbraw/zinc/35/51/18/385355118.db2.gz PVOIWAYIEXGBMJ-KXUCPTDWSA-N 2 2 224.308 0.371 20 0 BCADLP Cc1c[nH+]c(CNCCC[NH+](C)C)n1C ZINC000309029721 385378475 /nfs/dbraw/zinc/37/84/75/385378475.db2.gz CWSIUTJMUALCHR-UHFFFAOYSA-N 2 2 210.325 0.770 20 0 BCADLP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)nn1C ZINC000647496289 385385478 /nfs/dbraw/zinc/38/54/78/385385478.db2.gz DCSDJCKRWSSUKD-SKDRFNHKSA-N 2 2 222.336 0.898 20 0 BCADLP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)nn1C ZINC000647496289 385385484 /nfs/dbraw/zinc/38/54/84/385385484.db2.gz DCSDJCKRWSSUKD-SKDRFNHKSA-N 2 2 222.336 0.898 20 0 BCADLP Cc1nc(N2CCC[C@H]3C[NH2+]C[C@H]32)cc[nH+]1 ZINC000299999514 385393710 /nfs/dbraw/zinc/39/37/10/385393710.db2.gz WEAVIEUYEHOMBP-WDEREUQCSA-N 2 2 218.304 0.973 20 0 BCADLP C[C@H]([NH3+])CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000178642439 385401871 /nfs/dbraw/zinc/40/18/71/385401871.db2.gz AMMWFJMBKOXDMI-VIFPVBQESA-N 2 2 232.287 0.801 20 0 BCADLP CC(C)[C@](C)(CO)[NH2+]CCn1cc[nH+]c1 ZINC000309082471 385402146 /nfs/dbraw/zinc/40/21/46/385402146.db2.gz RUDWGSZKVCNJDM-NSHDSACASA-N 2 2 211.309 0.880 20 0 BCADLP C[C@@H]1CC[C@H](C[N@@H+]2CCO[C@H](C[NH3+])C2)O1 ZINC000165601162 385404736 /nfs/dbraw/zinc/40/47/36/385404736.db2.gz UDSAEVBOUQQJPH-GMTAPVOTSA-N 2 2 214.309 0.213 20 0 BCADLP C[C@@H]1CC[C@H](C[N@H+]2CCO[C@H](C[NH3+])C2)O1 ZINC000165601162 385404742 /nfs/dbraw/zinc/40/47/42/385404742.db2.gz UDSAEVBOUQQJPH-GMTAPVOTSA-N 2 2 214.309 0.213 20 0 BCADLP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000309094714 385405497 /nfs/dbraw/zinc/40/54/97/385405497.db2.gz CJVAPZAFPAZHGM-WOPDTQHZSA-N 2 2 211.353 0.478 20 0 BCADLP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000309094714 385405499 /nfs/dbraw/zinc/40/54/99/385405499.db2.gz CJVAPZAFPAZHGM-WOPDTQHZSA-N 2 2 211.353 0.478 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+](C)C[C@@H]1CCCO1)C1CC1 ZINC000336710894 385409121 /nfs/dbraw/zinc/40/91/21/385409121.db2.gz NEFYMJSSROXION-OLZOCXBDSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+](C)C[C@@H]1CCCO1)C1CC1 ZINC000336710894 385409125 /nfs/dbraw/zinc/40/91/25/385409125.db2.gz NEFYMJSSROXION-OLZOCXBDSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C[C@@H]1CCCO1 ZINC000336710894 385409128 /nfs/dbraw/zinc/40/91/28/385409128.db2.gz NEFYMJSSROXION-OLZOCXBDSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C[C@@H]1CCCO1 ZINC000336710894 385409134 /nfs/dbraw/zinc/40/91/34/385409134.db2.gz NEFYMJSSROXION-OLZOCXBDSA-N 2 2 242.363 0.552 20 0 BCADLP COCCCCC[N@H+](CC[NH3+])CCO ZINC000309093398 385413798 /nfs/dbraw/zinc/41/37/98/385413798.db2.gz BYDXBGLSHBJLKE-UHFFFAOYSA-N 2 2 204.314 0.056 20 0 BCADLP COCCCCC[N@@H+](CC[NH3+])CCO ZINC000309093398 385413802 /nfs/dbraw/zinc/41/38/02/385413802.db2.gz BYDXBGLSHBJLKE-UHFFFAOYSA-N 2 2 204.314 0.056 20 0 BCADLP C[C@H]([NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178801016 385419524 /nfs/dbraw/zinc/41/95/24/385419524.db2.gz ZCGVHMBAAXXWTP-QMMMGPOBSA-N 2 2 218.260 0.298 20 0 BCADLP C[C@@H]1c2nncn2CC[N@H+]1CCCn1cc[nH+]c1 ZINC000362072452 385420087 /nfs/dbraw/zinc/42/00/87/385420087.db2.gz NIFZXTJYMAIKGE-LLVKDONJSA-N 2 2 246.318 0.942 20 0 BCADLP C[C@@H]1c2nncn2CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000362072452 385420091 /nfs/dbraw/zinc/42/00/91/385420091.db2.gz NIFZXTJYMAIKGE-LLVKDONJSA-N 2 2 246.318 0.942 20 0 BCADLP C[NH2+][C@@H]1CCC[N@H+](CCC(=O)N(C)C)C1 ZINC000053204585 385456448 /nfs/dbraw/zinc/45/64/48/385456448.db2.gz QRKMLCIALQUCQG-SNVBAGLBSA-N 2 2 213.325 0.149 20 0 BCADLP C[NH2+][C@@H]1CCC[N@@H+](CCC(=O)N(C)C)C1 ZINC000053204585 385456452 /nfs/dbraw/zinc/45/64/52/385456452.db2.gz QRKMLCIALQUCQG-SNVBAGLBSA-N 2 2 213.325 0.149 20 0 BCADLP C=Cn1cc(C[NH2+]CCn2cc[nH+]c2)cn1 ZINC000194351031 385431012 /nfs/dbraw/zinc/43/10/12/385431012.db2.gz KNRCHRNWLQUFQO-UHFFFAOYSA-N 2 2 217.276 0.970 20 0 BCADLP [NH3+]CCC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000647499926 385437949 /nfs/dbraw/zinc/43/79/49/385437949.db2.gz QQRHLBRVWUVTJT-UHFFFAOYSA-N 3 2 211.353 0.799 20 0 BCADLP c1cc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)[nH]n1 ZINC000275702676 385475738 /nfs/dbraw/zinc/47/57/38/385475738.db2.gz XSLCJFZFCOEFPA-SNVBAGLBSA-N 2 2 231.303 0.958 20 0 BCADLP C[C@@H]([N@H+](C)CCn1cc[nH+]c1)C(C)(C)O ZINC000295150176 385459411 /nfs/dbraw/zinc/45/94/11/385459411.db2.gz LYKANDHIOYBVOS-SNVBAGLBSA-N 2 2 211.309 0.974 20 0 BCADLP C[C@@H]([N@@H+](C)CCn1cc[nH+]c1)C(C)(C)O ZINC000295150176 385459417 /nfs/dbraw/zinc/45/94/17/385459417.db2.gz LYKANDHIOYBVOS-SNVBAGLBSA-N 2 2 211.309 0.974 20 0 BCADLP Cc1cc(NC2C[NH2+]C2)nc(-c2ccncc2)[nH+]1 ZINC000643006047 385503560 /nfs/dbraw/zinc/50/35/60/385503560.db2.gz NRCXOTYJRYYPNE-UHFFFAOYSA-N 2 2 241.298 0.653 20 0 BCADLP c1c(CNC2=[NH+]CCCN2)[nH+]c2n1CCCC2 ZINC000408064862 385540355 /nfs/dbraw/zinc/54/03/55/385540355.db2.gz MAVCRRPRZXCITC-UHFFFAOYSA-N 2 2 233.319 0.658 20 0 BCADLP C[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000157979862 385541720 /nfs/dbraw/zinc/54/17/20/385541720.db2.gz WJKZWHAEYKBMEE-ZJUUUORDSA-N 2 2 234.303 0.124 20 0 BCADLP C[C@H](C[NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000644150300 385546012 /nfs/dbraw/zinc/54/60/12/385546012.db2.gz FXXUKKOKPFPAOZ-MNOVXSKESA-N 2 2 248.330 0.371 20 0 BCADLP CCC[C@@H]1C[NH2+]CCN1CC[NH+]1CCOCC1 ZINC000107092101 385555242 /nfs/dbraw/zinc/55/52/42/385555242.db2.gz HKOHACFNIBNFKX-CYBMUJFWSA-N 2 2 241.379 0.393 20 0 BCADLP CCC[C@H]1C[NH2+]CCN1Cc1[nH+]ccn1C ZINC000107092042 385555468 /nfs/dbraw/zinc/55/54/68/385555468.db2.gz FWMWGDQHPRZSTQ-NSHDSACASA-N 2 2 222.336 0.994 20 0 BCADLP CCC[C@H]1C[NH2+]CCN1CC[NH+]1CCOCC1 ZINC000107092103 385555598 /nfs/dbraw/zinc/55/55/98/385555598.db2.gz HKOHACFNIBNFKX-ZDUSSCGKSA-N 2 2 241.379 0.393 20 0 BCADLP CC[C@H](C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)OC ZINC000309392792 385562887 /nfs/dbraw/zinc/56/28/87/385562887.db2.gz UBFAXHBMEZSXSB-QJPTWQEYSA-N 2 2 230.352 0.768 20 0 BCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577179 385572522 /nfs/dbraw/zinc/57/25/22/385572522.db2.gz MBTWWJCYXYPKQI-SDDRHHMPSA-N 2 2 239.363 0.442 20 0 BCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577179 385572524 /nfs/dbraw/zinc/57/25/24/385572524.db2.gz MBTWWJCYXYPKQI-SDDRHHMPSA-N 2 2 239.363 0.442 20 0 BCADLP C[C@@H]1CN(C(=O)/C=C\c2[nH]cc[nH+]2)C[C@@H]1[NH+](C)C ZINC000493755363 385613882 /nfs/dbraw/zinc/61/38/82/385613882.db2.gz LVCGOFJZDIOUFD-KWKBKKAHSA-N 2 2 248.330 0.831 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000309495167 385615477 /nfs/dbraw/zinc/61/54/77/385615477.db2.gz YZCHDTQHCRAAOU-VXGBXAGGSA-N 2 2 228.336 0.162 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000309495167 385615486 /nfs/dbraw/zinc/61/54/86/385615486.db2.gz YZCHDTQHCRAAOU-VXGBXAGGSA-N 2 2 228.336 0.162 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+](C)[C@@H]1CCOC1)C1CC1 ZINC000309495167 385615490 /nfs/dbraw/zinc/61/54/90/385615490.db2.gz YZCHDTQHCRAAOU-VXGBXAGGSA-N 2 2 228.336 0.162 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+](C)[C@@H]1CCOC1)C1CC1 ZINC000309495167 385615497 /nfs/dbraw/zinc/61/54/97/385615497.db2.gz YZCHDTQHCRAAOU-VXGBXAGGSA-N 2 2 228.336 0.162 20 0 BCADLP Cc1c(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cnn1C ZINC000119314713 385629245 /nfs/dbraw/zinc/62/92/45/385629245.db2.gz AVITYAXYMHLMDG-GFCCVEGCSA-N 2 2 240.351 0.131 20 0 BCADLP C[C@]1(C(N)=O)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000280812501 385607610 /nfs/dbraw/zinc/60/76/10/385607610.db2.gz UCGGZZUOMQTOEM-LBPRGKRZSA-N 2 2 236.319 0.471 20 0 BCADLP C[C@]1(C(N)=O)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000280812501 385607618 /nfs/dbraw/zinc/60/76/18/385607618.db2.gz UCGGZZUOMQTOEM-LBPRGKRZSA-N 2 2 236.319 0.471 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000229588519 385637703 /nfs/dbraw/zinc/63/77/03/385637703.db2.gz SGAIURSUKBYUGT-WDEREUQCSA-N 2 2 236.319 0.530 20 0 BCADLP Cn1c[nH+]cc1CCC(=O)N1CC([NH+](C)C)C1 ZINC000281221918 385646585 /nfs/dbraw/zinc/64/65/85/385646585.db2.gz OKTLDCHXZWZHNC-UHFFFAOYSA-N 2 2 236.319 0.125 20 0 BCADLP NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000408190427 385660732 /nfs/dbraw/zinc/66/07/32/385660732.db2.gz YPVREKOWYHPFAD-UHFFFAOYSA-N 2 2 208.265 0.074 20 0 BCADLP COC[C@@H]([NH2+]CC[NH+](C)C)C1CCOCC1 ZINC000309561809 385699319 /nfs/dbraw/zinc/69/93/19/385699319.db2.gz LFQRIPOIQKDHFM-GFCCVEGCSA-N 2 2 230.352 0.579 20 0 BCADLP O=C1CC[N@H+](CCCn2cc[nH+]c2)CCN1 ZINC000182750479 385700613 /nfs/dbraw/zinc/70/06/13/385700613.db2.gz SEFLRFJCAIORSC-UHFFFAOYSA-N 2 2 222.292 0.095 20 0 BCADLP O=C1CC[N@@H+](CCCn2cc[nH+]c2)CCN1 ZINC000182750479 385700619 /nfs/dbraw/zinc/70/06/19/385700619.db2.gz SEFLRFJCAIORSC-UHFFFAOYSA-N 2 2 222.292 0.095 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000309575282 385708507 /nfs/dbraw/zinc/70/85/07/385708507.db2.gz OSPUGUOCVNFMEU-IJLUTSLNSA-N 2 2 222.336 0.811 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(=O)NCCF ZINC000337563411 385709948 /nfs/dbraw/zinc/70/99/48/385709948.db2.gz WWAUTRGSGFCNCI-OUAUKWLOSA-N 2 2 245.342 0.533 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)NCCF ZINC000337563411 385709953 /nfs/dbraw/zinc/70/99/53/385709953.db2.gz WWAUTRGSGFCNCI-OUAUKWLOSA-N 2 2 245.342 0.533 20 0 BCADLP CC[N@H+](CCOCCO)CCn1cc[nH+]c1 ZINC000281939800 385716296 /nfs/dbraw/zinc/71/62/96/385716296.db2.gz DWRZHPOOKUHIKP-UHFFFAOYSA-N 2 2 227.308 0.214 20 0 BCADLP CCCC[N@H+](CCCn1cc[nH+]c1)CC(N)=O ZINC000183162358 385736931 /nfs/dbraw/zinc/73/69/31/385736931.db2.gz MNWSONKNSNQJSW-UHFFFAOYSA-N 2 2 238.335 0.861 20 0 BCADLP CCCC[N@@H+](CCCn1cc[nH+]c1)CC(N)=O ZINC000183162358 385736936 /nfs/dbraw/zinc/73/69/36/385736936.db2.gz MNWSONKNSNQJSW-UHFFFAOYSA-N 2 2 238.335 0.861 20 0 BCADLP CO[C@H](C)CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336656654 385786485 /nfs/dbraw/zinc/78/64/85/385786485.db2.gz ORDYDTFRMMCWEL-GMTAPVOTSA-N 2 2 200.326 0.951 20 0 BCADLP CO[C@H](C)CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336656654 385786490 /nfs/dbraw/zinc/78/64/90/385786490.db2.gz ORDYDTFRMMCWEL-GMTAPVOTSA-N 2 2 200.326 0.951 20 0 BCADLP COC(=O)C[N@H+](CCn1cc[nH+]c1C)C1CC1 ZINC000270870146 385755384 /nfs/dbraw/zinc/75/53/84/385755384.db2.gz LNFOPWJMHNJXBL-UHFFFAOYSA-N 2 2 237.303 0.829 20 0 BCADLP COC(=O)C[N@@H+](CCn1cc[nH+]c1C)C1CC1 ZINC000270870146 385755386 /nfs/dbraw/zinc/75/53/86/385755386.db2.gz LNFOPWJMHNJXBL-UHFFFAOYSA-N 2 2 237.303 0.829 20 0 BCADLP COC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000309660757 385779519 /nfs/dbraw/zinc/77/95/19/385779519.db2.gz RFUYYIREGIFXHC-MVWJERBFSA-N 2 2 228.336 0.066 20 0 BCADLP COC[C@H](O)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000309660757 385779521 /nfs/dbraw/zinc/77/95/21/385779521.db2.gz RFUYYIREGIFXHC-MVWJERBFSA-N 2 2 228.336 0.066 20 0 BCADLP COC(=O)C(C)(C)[N@H+](C)CCc1c[nH+]cn1C ZINC000459369414 533147600 /nfs/dbraw/zinc/14/76/00/533147600.db2.gz NUTQAOJVKLUPBZ-UHFFFAOYSA-N 2 2 239.319 0.846 20 0 BCADLP COC(=O)C(C)(C)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459369414 533147608 /nfs/dbraw/zinc/14/76/08/533147608.db2.gz NUTQAOJVKLUPBZ-UHFFFAOYSA-N 2 2 239.319 0.846 20 0 BCADLP C[NH2+][C@H](C)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000261710839 385826977 /nfs/dbraw/zinc/82/69/77/385826977.db2.gz JWYLWNVDHZRYRC-SECBINFHSA-N 2 2 232.287 0.672 20 0 BCADLP Cc1c(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cnn1C ZINC000335646095 385829969 /nfs/dbraw/zinc/82/99/69/385829969.db2.gz LEDYBECPPIXLQU-LLVKDONJSA-N 2 2 222.336 0.959 20 0 BCADLP CO[C@H](C[NH3+])CC(=O)Nc1cc[nH+]cc1C ZINC000232120582 385837803 /nfs/dbraw/zinc/83/78/03/385837803.db2.gz ZLRSLAHCYNMWLE-VIFPVBQESA-N 2 2 223.276 0.692 20 0 BCADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC000414955168 385840840 /nfs/dbraw/zinc/84/08/40/385840840.db2.gz LPSNQQBNRGQPDK-SECBINFHSA-N 2 2 239.319 0.889 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N1CCC1 ZINC000271692143 385846235 /nfs/dbraw/zinc/84/62/35/385846235.db2.gz LYGDYDHFOIKPQY-UHFFFAOYSA-N 2 2 236.319 0.437 20 0 BCADLP Cc1ccc(O)c(C[NH2+][C@@H]2CCC[NH2+]C2)n1 ZINC000414870447 385847060 /nfs/dbraw/zinc/84/70/60/385847060.db2.gz SQKBSEDQHCJTOO-SNVBAGLBSA-N 2 2 221.304 0.937 20 0 BCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccncc1F ZINC000340479036 385895040 /nfs/dbraw/zinc/89/50/40/385895040.db2.gz UFZKWJMPINGOAT-ZJUUUORDSA-N 2 2 241.310 0.794 20 0 BCADLP CC(C)CNC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000022146082 385895656 /nfs/dbraw/zinc/89/56/56/385895656.db2.gz CHZAUIAFNNTHHC-UHFFFAOYSA-N 2 2 213.325 0.182 20 0 BCADLP C[N@H+](CCC[NH3+])CC(=O)NCCC(C)(C)C ZINC000647848456 385899519 /nfs/dbraw/zinc/89/95/19/385899519.db2.gz SBBDEVQUCPISOJ-UHFFFAOYSA-N 2 2 229.368 0.819 20 0 BCADLP C[N@@H+](CCC[NH3+])CC(=O)NCCC(C)(C)C ZINC000647848456 385899521 /nfs/dbraw/zinc/89/95/21/385899521.db2.gz SBBDEVQUCPISOJ-UHFFFAOYSA-N 2 2 229.368 0.819 20 0 BCADLP C[C@@H](C(=O)Nc1ncccn1)[N@H+](C)CCC[NH3+] ZINC000647849595 385901194 /nfs/dbraw/zinc/90/11/94/385901194.db2.gz ZCHLQTXWALKLAJ-VIFPVBQESA-N 2 2 237.307 0.084 20 0 BCADLP C[C@@H](C(=O)Nc1ncccn1)[N@@H+](C)CCC[NH3+] ZINC000647849595 385901196 /nfs/dbraw/zinc/90/11/96/385901196.db2.gz ZCHLQTXWALKLAJ-VIFPVBQESA-N 2 2 237.307 0.084 20 0 BCADLP C[C@H]([NH2+][C@H]1CCCCNC1=O)[C@@H]1CCC[NH2+]1 ZINC000333258112 385906790 /nfs/dbraw/zinc/90/67/90/385906790.db2.gz IJAROIIXPXHEOG-DCAQKATOSA-N 2 2 225.336 0.385 20 0 BCADLP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000122312268 385911595 /nfs/dbraw/zinc/91/15/95/385911595.db2.gz JLMPNBFEADPZIE-NWDGAFQWSA-N 2 2 222.336 0.955 20 0 BCADLP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000122312268 385911601 /nfs/dbraw/zinc/91/16/01/385911601.db2.gz JLMPNBFEADPZIE-NWDGAFQWSA-N 2 2 222.336 0.955 20 0 BCADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)CC(=O)NC ZINC000341985051 385913323 /nfs/dbraw/zinc/91/33/23/385913323.db2.gz ZJMHUFIQESWJEC-NEPJUHHUSA-N 2 2 241.379 0.975 20 0 BCADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)CC(=O)NC ZINC000341985051 385913326 /nfs/dbraw/zinc/91/33/26/385913326.db2.gz ZJMHUFIQESWJEC-NEPJUHHUSA-N 2 2 241.379 0.975 20 0 BCADLP CCC[NH2+]CC[NH2+][C@@H](C)Cn1cccn1 ZINC000414876882 385915061 /nfs/dbraw/zinc/91/50/61/385915061.db2.gz WQVUKFBHDWFVAB-NSHDSACASA-N 2 2 210.325 0.861 20 0 BCADLP CO[C@H]1C[C@@H]([N@H+](C)CCn2cc[nH+]c2)C1 ZINC000285373005 385920521 /nfs/dbraw/zinc/92/05/21/385920521.db2.gz MOQTXGAGYWJCJW-PHIMTYICSA-N 2 2 209.293 0.992 20 0 BCADLP CO[C@H]1C[C@@H]([N@@H+](C)CCn2cc[nH+]c2)C1 ZINC000285373005 385920523 /nfs/dbraw/zinc/92/05/23/385920523.db2.gz MOQTXGAGYWJCJW-PHIMTYICSA-N 2 2 209.293 0.992 20 0 BCADLP CC(C)[C@H](O)CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336767678 385927083 /nfs/dbraw/zinc/92/70/83/385927083.db2.gz TVEREWDQLZKYPJ-SDDRHHMPSA-N 2 2 214.353 0.933 20 0 BCADLP CC(C)[C@H](O)CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336767678 385927086 /nfs/dbraw/zinc/92/70/86/385927086.db2.gz TVEREWDQLZKYPJ-SDDRHHMPSA-N 2 2 214.353 0.933 20 0 BCADLP COC[C@@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000272007203 385868466 /nfs/dbraw/zinc/86/84/66/385868466.db2.gz ADFPRTZYZGSAFU-MNOVXSKESA-N 2 2 239.319 0.596 20 0 BCADLP COC[C@@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000272007203 385868469 /nfs/dbraw/zinc/86/84/69/385868469.db2.gz ADFPRTZYZGSAFU-MNOVXSKESA-N 2 2 239.319 0.596 20 0 BCADLP C[NH2+][C@H]1CCC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000647830609 385872328 /nfs/dbraw/zinc/87/23/28/385872328.db2.gz VXJBYCKOCPEVIY-LBPRGKRZSA-N 2 2 235.331 0.569 20 0 BCADLP C[NH2+][C@H]1CCC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000647830609 385872334 /nfs/dbraw/zinc/87/23/34/385872334.db2.gz VXJBYCKOCPEVIY-LBPRGKRZSA-N 2 2 235.331 0.569 20 0 BCADLP CC[C@H](Cn1cncn1)[NH2+]CC[NH+]1CCCC1 ZINC000340471592 385873604 /nfs/dbraw/zinc/87/36/04/385873604.db2.gz DFSMFECJBDZHLE-GFCCVEGCSA-N 2 2 237.351 0.742 20 0 BCADLP c1cn(CCC[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c[nH+]1 ZINC000338368427 385979547 /nfs/dbraw/zinc/97/95/47/385979547.db2.gz RWTLZBOVZWLUKF-TXEJJXNPSA-N 2 2 237.303 0.373 20 0 BCADLP c1cn(CCC[N@H+]2C[C@@H]3COC[C@H](C2)O3)c[nH+]1 ZINC000338368427 385979551 /nfs/dbraw/zinc/97/95/51/385979551.db2.gz RWTLZBOVZWLUKF-TXEJJXNPSA-N 2 2 237.303 0.373 20 0 BCADLP C[C@H](C[N@H+](C)C1CC([NH3+])C1)CS(C)(=O)=O ZINC000647982669 385937741 /nfs/dbraw/zinc/93/77/41/385937741.db2.gz RPZLEHOUMDMEBL-XNWIYYODSA-N 2 2 234.365 0.089 20 0 BCADLP C[C@H](C[N@@H+](C)C1CC([NH3+])C1)CS(C)(=O)=O ZINC000647982669 385937745 /nfs/dbraw/zinc/93/77/45/385937745.db2.gz RPZLEHOUMDMEBL-XNWIYYODSA-N 2 2 234.365 0.089 20 0 BCADLP CC1([NH3+])CC[NH+](CC(=O)NCC2CC2)CC1 ZINC000647924194 385939966 /nfs/dbraw/zinc/93/99/66/385939966.db2.gz NLLGWCCVYXVHHO-UHFFFAOYSA-N 2 2 225.336 0.326 20 0 BCADLP CCCCNC(=O)[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342152769 385946716 /nfs/dbraw/zinc/94/67/16/385946716.db2.gz YPTBTLNVHXDFHX-JTQLQIEISA-N 2 2 227.352 0.762 20 0 BCADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)NC(C)(C)C ZINC000342152823 385947326 /nfs/dbraw/zinc/94/73/26/385947326.db2.gz YTCMGSLRJHOHAD-SECBINFHSA-N 2 2 227.352 0.761 20 0 BCADLP C[C@@H](CNC(=O)[C@@H](C)C[NH3+])Cn1cc[nH+]c1 ZINC000285791937 385965689 /nfs/dbraw/zinc/96/56/89/385965689.db2.gz OYGZGZVUJMIFCZ-UWVGGRQHSA-N 2 2 224.308 0.230 20 0 BCADLP Cc1ccc(O)c(C[NH2+][C@H]2CC[NH2+]C2)n1 ZINC000414881967 386009876 /nfs/dbraw/zinc/00/98/76/386009876.db2.gz LSASKSHSTKWGKG-VIFPVBQESA-N 2 2 207.277 0.547 20 0 BCADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@H](C)[NH+](C)C ZINC000336727786 386015374 /nfs/dbraw/zinc/01/53/74/386015374.db2.gz GSBSMQVVWPMWBH-QWRGUYRKSA-N 2 2 225.340 0.596 20 0 BCADLP CC1(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C[NH2+]C1 ZINC000335061436 386027675 /nfs/dbraw/zinc/02/76/75/386027675.db2.gz UAKJJQHGPILROL-JTQLQIEISA-N 2 2 248.330 0.725 20 0 BCADLP CC(C)[C@H](C(=O)NCCc1[nH]cc[nH+]1)[NH+](C)C ZINC000345186608 386053620 /nfs/dbraw/zinc/05/36/20/386053620.db2.gz CYDYOYKGVMTHRS-LLVKDONJSA-N 2 2 238.335 0.655 20 0 BCADLP CC[C@@H](COC)[NH2+]CC[NH2+]CCOC ZINC000414888379 386102812 /nfs/dbraw/zinc/10/28/12/386102812.db2.gz RMTVVWFJWVYSSH-JTQLQIEISA-N 2 2 204.314 0.237 20 0 BCADLP C[C@H](C[NH3+])NC(=O)c1ccc2[nH+]ccn2c1 ZINC000274447451 386104617 /nfs/dbraw/zinc/10/46/17/386104617.db2.gz RRKDQPVFGAPVKO-MRVPVSSYSA-N 2 2 218.260 0.411 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N[C@@H](C)CC[NH3+] ZINC000415379783 386067532 /nfs/dbraw/zinc/06/75/32/386067532.db2.gz FSSKZKIBPZBFOL-VIFPVBQESA-N 2 2 222.292 0.671 20 0 BCADLP CCN(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cn1 ZINC000414885769 386069735 /nfs/dbraw/zinc/06/97/35/386069735.db2.gz PIBHMFCRJODFSB-GFCCVEGCSA-N 2 2 234.347 0.989 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000415393696 386073689 /nfs/dbraw/zinc/07/36/89/386073689.db2.gz ZMVIJRIPHYTZMR-SNVBAGLBSA-N 2 2 236.319 0.917 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)NC[C@H]([NH3+])C(C)C ZINC000415393694 386074288 /nfs/dbraw/zinc/07/42/88/386074288.db2.gz ZMVIJRIPHYTZMR-JTQLQIEISA-N 2 2 236.319 0.917 20 0 BCADLP C[C@@H](C[NH+](C)C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000286857569 386076800 /nfs/dbraw/zinc/07/68/00/386076800.db2.gz BSDVZGJGCFKPRP-MOVJSRMASA-N 2 2 222.292 0.489 20 0 BCADLP COC(=O)[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414676129 386148915 /nfs/dbraw/zinc/14/89/15/386148915.db2.gz MYIYWQICXHXEQO-GHMZBOCLSA-N 2 2 228.336 0.855 20 0 BCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414676129 386148922 /nfs/dbraw/zinc/14/89/22/386148922.db2.gz MYIYWQICXHXEQO-GHMZBOCLSA-N 2 2 228.336 0.855 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1C(N)=O ZINC000414677134 386152610 /nfs/dbraw/zinc/15/26/10/386152610.db2.gz WCZHBKCKFMXKPY-UWVGGRQHSA-N 2 2 213.325 0.310 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H]1C(N)=O ZINC000414677134 386152615 /nfs/dbraw/zinc/15/26/15/386152615.db2.gz WCZHBKCKFMXKPY-UWVGGRQHSA-N 2 2 213.325 0.310 20 0 BCADLP Nc1ccc(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)c[nH+]1 ZINC000296355418 386167176 /nfs/dbraw/zinc/16/71/76/386167176.db2.gz JETGBZDZXYVTNK-NOZJJQNGSA-N 2 2 246.314 0.992 20 0 BCADLP Nc1ccc(NC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)c[nH+]1 ZINC000296355423 386167513 /nfs/dbraw/zinc/16/75/13/386167513.db2.gz JETGBZDZXYVTNK-RNCFNFMXSA-N 2 2 246.314 0.992 20 0 BCADLP Cc1ccnc([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c1 ZINC000353506465 386177801 /nfs/dbraw/zinc/17/78/01/386177801.db2.gz YPUCEPFULQCAKY-VXGBXAGGSA-N 2 2 237.347 0.963 20 0 BCADLP Cc1ccc2[nH+]c(CNC(=O)C[NH+](C)C)cn2c1 ZINC000263913977 386191255 /nfs/dbraw/zinc/19/12/55/386191255.db2.gz WSCCAXBOLHQRBS-UHFFFAOYSA-N 2 2 246.314 0.821 20 0 BCADLP C[N@H+](CC[NH3+])CCC(=O)Nc1ccccc1 ZINC000054418370 386128365 /nfs/dbraw/zinc/12/83/65/386128365.db2.gz MKRWYNGTXUXPNX-UHFFFAOYSA-N 2 2 221.304 0.906 20 0 BCADLP C[N@@H+](CC[NH3+])CCC(=O)Nc1ccccc1 ZINC000054418370 386128367 /nfs/dbraw/zinc/12/83/67/386128367.db2.gz MKRWYNGTXUXPNX-UHFFFAOYSA-N 2 2 221.304 0.906 20 0 BCADLP COC(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414890963 386134907 /nfs/dbraw/zinc/13/49/07/386134907.db2.gz VVBQAXJSDZEELJ-GFCCVEGCSA-N 2 2 234.299 0.925 20 0 BCADLP CC[NH+](CC)CCCNC(=O)Cn1cc[nH+]c1 ZINC000072794845 386138972 /nfs/dbraw/zinc/13/89/72/386138972.db2.gz UKKXWRUSWWGOGJ-UHFFFAOYSA-N 2 2 238.335 0.731 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414672917 386144126 /nfs/dbraw/zinc/14/41/26/386144126.db2.gz OHKSNQGBVCZGCL-VXGBXAGGSA-N 3 2 213.369 0.901 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414672917 386144131 /nfs/dbraw/zinc/14/41/31/386144131.db2.gz OHKSNQGBVCZGCL-VXGBXAGGSA-N 3 2 213.369 0.901 20 0 BCADLP C[C@@H]1C[N@H+](Cc2cnc3cnccn23)CC[C@H]1[NH3+] ZINC000347054503 386206958 /nfs/dbraw/zinc/20/69/58/386206958.db2.gz SWVYZBOFWXVHLS-ZYHUDNBSSA-N 2 2 245.330 0.898 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2cnc3cnccn23)CC[C@H]1[NH3+] ZINC000347054503 386206960 /nfs/dbraw/zinc/20/69/60/386206960.db2.gz SWVYZBOFWXVHLS-ZYHUDNBSSA-N 2 2 245.330 0.898 20 0 BCADLP CCC[N@H+](C)C[C@H]1CC[NH+](CCC[NH3+])C1 ZINC000414702628 386211004 /nfs/dbraw/zinc/21/10/04/386211004.db2.gz IXEJDCIEILUOKJ-GFCCVEGCSA-N 3 2 213.369 0.999 20 0 BCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC[NH3+])C1 ZINC000414702628 386211005 /nfs/dbraw/zinc/21/10/05/386211005.db2.gz IXEJDCIEILUOKJ-GFCCVEGCSA-N 3 2 213.369 0.999 20 0 BCADLP CCC[NH+](C)C[C@H]1CC[N@H+](CCC[NH3+])C1 ZINC000414702628 386211007 /nfs/dbraw/zinc/21/10/07/386211007.db2.gz IXEJDCIEILUOKJ-GFCCVEGCSA-N 3 2 213.369 0.999 20 0 BCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC[NH3+])C1 ZINC000414702628 386211008 /nfs/dbraw/zinc/21/10/08/386211008.db2.gz IXEJDCIEILUOKJ-GFCCVEGCSA-N 3 2 213.369 0.999 20 0 BCADLP C[C@H](C[NH2+]Cc1ccn(C)n1)C[NH+](C)C ZINC000291768171 386212623 /nfs/dbraw/zinc/21/26/23/386212623.db2.gz SMGIWYLSMFXUTB-SNVBAGLBSA-N 2 2 210.325 0.707 20 0 BCADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC[NH3+])C1 ZINC000414711908 386227161 /nfs/dbraw/zinc/22/71/61/386227161.db2.gz TUWIFBCCLJHCTN-LBPRGKRZSA-N 3 2 213.369 0.999 20 0 BCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC[NH3+])C1 ZINC000414711908 386227167 /nfs/dbraw/zinc/22/71/67/386227167.db2.gz TUWIFBCCLJHCTN-LBPRGKRZSA-N 3 2 213.369 0.999 20 0 BCADLP CNC(=O)[C@H]1CCC[N@@H+]1C[C@H]([NH3+])CC(C)C ZINC000414714236 386232871 /nfs/dbraw/zinc/23/28/71/386232871.db2.gz WONBMFJCIGYLJW-GHMZBOCLSA-N 2 2 227.352 0.570 20 0 BCADLP CNC(=O)[C@H]1CCC[N@H+]1C[C@H]([NH3+])CC(C)C ZINC000414714236 386232876 /nfs/dbraw/zinc/23/28/76/386232876.db2.gz WONBMFJCIGYLJW-GHMZBOCLSA-N 2 2 227.352 0.570 20 0 BCADLP Cc1nc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000310699860 386235088 /nfs/dbraw/zinc/23/50/88/386235088.db2.gz WCXJNQFKOPWXII-SECBINFHSA-N 2 2 248.334 0.658 20 0 BCADLP Cc1nc(NC[C@H]2CC[N@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000310699860 386235096 /nfs/dbraw/zinc/23/50/96/386235096.db2.gz WCXJNQFKOPWXII-SECBINFHSA-N 2 2 248.334 0.658 20 0 BCADLP Cc1nc(N)nc(NC[C@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000310699860 386235102 /nfs/dbraw/zinc/23/51/02/386235102.db2.gz WCXJNQFKOPWXII-SECBINFHSA-N 2 2 248.334 0.658 20 0 BCADLP Cc1nc(N)nc(NC[C@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000310699860 386235108 /nfs/dbraw/zinc/23/51/08/386235108.db2.gz WCXJNQFKOPWXII-SECBINFHSA-N 2 2 248.334 0.658 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccnc(N(C)C)n2)C1 ZINC000347081321 386242700 /nfs/dbraw/zinc/24/27/00/386242700.db2.gz XWLAILPJFIPDGW-NSHDSACASA-N 2 2 249.362 0.584 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccnc(N(C)C)n2)C1 ZINC000347081321 386242707 /nfs/dbraw/zinc/24/27/07/386242707.db2.gz XWLAILPJFIPDGW-NSHDSACASA-N 2 2 249.362 0.584 20 0 BCADLP C[C@@H](CNC(=O)C[NH+](C)C)Cn1cc[nH+]c1 ZINC000275923097 386252389 /nfs/dbraw/zinc/25/23/89/386252389.db2.gz BABDWTVPYJTAPV-JTQLQIEISA-N 2 2 224.308 0.197 20 0 BCADLP CCC[N@@H+](CC(=O)NC)C[C@H]([NH3+])CC(C)C ZINC000414694929 386193370 /nfs/dbraw/zinc/19/33/70/386193370.db2.gz TYOPTMJHDQZFMX-LLVKDONJSA-N 2 2 229.368 0.818 20 0 BCADLP CCC[N@H+](CC(=O)NC)C[C@H]([NH3+])CC(C)C ZINC000414694929 386193375 /nfs/dbraw/zinc/19/33/75/386193375.db2.gz TYOPTMJHDQZFMX-LLVKDONJSA-N 2 2 229.368 0.818 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](CCO)CCc1ccccc1 ZINC000647885754 386281043 /nfs/dbraw/zinc/28/10/43/386281043.db2.gz MPLMLFPSHDSDIK-GFCCVEGCSA-N 2 2 222.332 0.871 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](CCO)CCc1ccccc1 ZINC000647885754 386281050 /nfs/dbraw/zinc/28/10/50/386281050.db2.gz MPLMLFPSHDSDIK-GFCCVEGCSA-N 2 2 222.332 0.871 20 0 BCADLP CC(C)[N@H+](CCc1c[nH+]cn1C)CC(N)=O ZINC000289295905 386281121 /nfs/dbraw/zinc/28/11/21/386281121.db2.gz HRJCRYFRVBAYKY-UHFFFAOYSA-N 2 2 224.308 0.158 20 0 BCADLP CC(C)[N@@H+](CCc1c[nH+]cn1C)CC(N)=O ZINC000289295905 386281127 /nfs/dbraw/zinc/28/11/27/386281127.db2.gz HRJCRYFRVBAYKY-UHFFFAOYSA-N 2 2 224.308 0.158 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@H]([NH+](C)C)C1 ZINC000289390741 386295372 /nfs/dbraw/zinc/29/53/72/386295372.db2.gz DWWKCFUHJSOIBU-JTQLQIEISA-N 2 2 208.309 0.556 20 0 BCADLP Cc1ccc(O)c(C[NH2+][C@H](C)[C@H](C)[NH3+])n1 ZINC000415005647 386303958 /nfs/dbraw/zinc/30/39/58/386303958.db2.gz JJRMMLOLSGBFQZ-DTWKUNHWSA-N 2 2 209.293 0.921 20 0 BCADLP C[C@H](O)C[N@H+](CCc1c[nH+]cn1C)[C@@H](C)CO ZINC000289491367 386316351 /nfs/dbraw/zinc/31/63/51/386316351.db2.gz CNETWCJUIBRAOR-QWRGUYRKSA-N 2 2 241.335 0.026 20 0 BCADLP C[C@H](O)C[N@@H+](CCc1c[nH+]cn1C)[C@@H](C)CO ZINC000289491367 386316358 /nfs/dbraw/zinc/31/63/58/386316358.db2.gz CNETWCJUIBRAOR-QWRGUYRKSA-N 2 2 241.335 0.026 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000335261538 386320546 /nfs/dbraw/zinc/32/05/46/386320546.db2.gz ZLUKAYMGPOFGKI-WCBMZHEXSA-N 2 2 236.319 0.836 20 0 BCADLP CC[C@H]([NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000236902640 386323680 /nfs/dbraw/zinc/32/36/80/386323680.db2.gz LBVXRKSMTZVEIW-ZJUUUORDSA-N 2 2 224.308 0.373 20 0 BCADLP C([NH2+][C@H]1CCCSC1)[C@@H]1C[NH2+]CCO1 ZINC000335268290 386348463 /nfs/dbraw/zinc/34/84/63/386348463.db2.gz OVYUWXIUAFPJPZ-UWVGGRQHSA-N 2 2 216.350 0.460 20 0 BCADLP C1CC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C[NH2+]C1 ZINC000335269928 386354334 /nfs/dbraw/zinc/35/43/34/386354334.db2.gz LAGXQZWVISDQHK-NEPJUHHUSA-N 3 2 211.353 0.860 20 0 BCADLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC[NH2+]C(C)(C)C ZINC000414747474 386354895 /nfs/dbraw/zinc/35/48/95/386354895.db2.gz UHICTVGWAUYEPI-NXEZZACHSA-N 2 2 227.352 0.489 20 0 BCADLP COC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000647989561 386359158 /nfs/dbraw/zinc/35/91/58/386359158.db2.gz FWAMJZBOYSRFAD-TUAOUCFPSA-N 2 2 228.336 0.332 20 0 BCADLP COC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000647989561 386359162 /nfs/dbraw/zinc/35/91/62/386359162.db2.gz FWAMJZBOYSRFAD-TUAOUCFPSA-N 2 2 228.336 0.332 20 0 BCADLP CC(C)[C@H](CO)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336691118 386360167 /nfs/dbraw/zinc/36/01/67/386360167.db2.gz PDBZRTDKDNOHDZ-VWYCJHECSA-N 2 2 200.326 0.543 20 0 BCADLP CC(C)[C@H](CO)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336691118 386360175 /nfs/dbraw/zinc/36/01/75/386360175.db2.gz PDBZRTDKDNOHDZ-VWYCJHECSA-N 2 2 200.326 0.543 20 0 BCADLP CCC[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647989604 386361985 /nfs/dbraw/zinc/36/19/85/386361985.db2.gz LEJSNZOOMDDVBV-WDEREUQCSA-N 2 2 225.336 0.196 20 0 BCADLP CCC[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647989604 386361987 /nfs/dbraw/zinc/36/19/87/386361987.db2.gz LEJSNZOOMDDVBV-WDEREUQCSA-N 2 2 225.336 0.196 20 0 BCADLP CCC[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647989602 386363074 /nfs/dbraw/zinc/36/30/74/386363074.db2.gz LEJSNZOOMDDVBV-MNOVXSKESA-N 2 2 225.336 0.196 20 0 BCADLP CCC[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647989602 386363079 /nfs/dbraw/zinc/36/30/79/386363079.db2.gz LEJSNZOOMDDVBV-MNOVXSKESA-N 2 2 225.336 0.196 20 0 BCADLP Cc1ccc(N2CCC(NC(=O)C[NH3+])CC2)[nH+]c1 ZINC000366343641 386379885 /nfs/dbraw/zinc/37/98/85/386379885.db2.gz BPPFGJVEOCMSEB-UHFFFAOYSA-N 2 2 248.330 0.434 20 0 BCADLP CC(C)[NH+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000276515332 386337289 /nfs/dbraw/zinc/33/72/89/386337289.db2.gz BSPDQXLISDBNON-ONEGZZNKSA-N 2 2 248.330 0.976 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCNC2=O)C1 ZINC000336719581 386450471 /nfs/dbraw/zinc/45/04/71/386450471.db2.gz XYHLWLVEKLOJJZ-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCNC2=O)C1 ZINC000336719581 386450475 /nfs/dbraw/zinc/45/04/75/386450475.db2.gz XYHLWLVEKLOJJZ-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC000336719581 386450481 /nfs/dbraw/zinc/45/04/81/386450481.db2.gz XYHLWLVEKLOJJZ-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC000336719581 386450489 /nfs/dbraw/zinc/45/04/89/386450489.db2.gz XYHLWLVEKLOJJZ-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000637855346 386450443 /nfs/dbraw/zinc/45/04/43/386450443.db2.gz UEAGPEBRESIVHF-JTQLQIEISA-N 2 2 222.292 0.114 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000637855346 386450451 /nfs/dbraw/zinc/45/04/51/386450451.db2.gz UEAGPEBRESIVHF-JTQLQIEISA-N 2 2 222.292 0.114 20 0 BCADLP [NH3+]CCC[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000414755351 386394094 /nfs/dbraw/zinc/39/40/94/386394094.db2.gz OWONOJPUINYBOR-GFCCVEGCSA-N 2 2 228.336 0.463 20 0 BCADLP [NH3+]CCC[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000414755351 386394100 /nfs/dbraw/zinc/39/41/00/386394100.db2.gz OWONOJPUINYBOR-GFCCVEGCSA-N 2 2 228.336 0.463 20 0 BCADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCOC1 ZINC000336704878 386395633 /nfs/dbraw/zinc/39/56/33/386395633.db2.gz QUSCVGBRRBPUGO-NSHDSACASA-N 2 2 209.293 0.994 20 0 BCADLP C[C@@H]1C[C@H](C[N@H+](CCO)CC(F)F)CC[NH2+]1 ZINC000414757628 386402480 /nfs/dbraw/zinc/40/24/80/386402480.db2.gz SXRZNQPGNWJTDB-NXEZZACHSA-N 2 2 236.306 0.934 20 0 BCADLP C[C@@H]1C[C@H](C[N@@H+](CCO)CC(F)F)CC[NH2+]1 ZINC000414757628 386402481 /nfs/dbraw/zinc/40/24/81/386402481.db2.gz SXRZNQPGNWJTDB-NXEZZACHSA-N 2 2 236.306 0.934 20 0 BCADLP CCCNC(=O)C1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000442655543 386403125 /nfs/dbraw/zinc/40/31/25/386403125.db2.gz CMWGUGQIEOVNPK-SNVBAGLBSA-N 2 2 227.352 0.572 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000648033969 386415135 /nfs/dbraw/zinc/41/51/35/386415135.db2.gz BYYRRMKYBISUIX-WDEREUQCSA-N 2 2 237.351 0.465 20 0 BCADLP CC[N@H+](C[C@@H]([NH3+])CC(C)C)[C@@H]1CCNC1=O ZINC000414760923 386417896 /nfs/dbraw/zinc/41/78/96/386417896.db2.gz HXZUYMQKOVGUQZ-WDEREUQCSA-N 2 2 227.352 0.570 20 0 BCADLP CC[N@@H+](C[C@@H]([NH3+])CC(C)C)[C@@H]1CCNC1=O ZINC000414760923 386417898 /nfs/dbraw/zinc/41/78/98/386417898.db2.gz HXZUYMQKOVGUQZ-WDEREUQCSA-N 2 2 227.352 0.570 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC[NH+](C)C ZINC000166088225 386417930 /nfs/dbraw/zinc/41/79/30/386417930.db2.gz MUAZWAJHSFOMFR-NEPJUHHUSA-N 3 2 229.368 0.295 20 0 BCADLP CCOCCC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166088352 386418135 /nfs/dbraw/zinc/41/81/35/386418135.db2.gz JPKUEXNTIBMUFU-NWDGAFQWSA-N 2 2 230.352 0.770 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CC[NH+](C2CC2)CC1 ZINC000299658590 386478229 /nfs/dbraw/zinc/47/82/29/386478229.db2.gz MREFLSDUDJEISA-UHFFFAOYSA-N 2 2 248.330 0.580 20 0 BCADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)CC(=O)N(C)C ZINC000336742676 386484876 /nfs/dbraw/zinc/48/48/76/386484876.db2.gz XKNUKOWFEORKMY-VHSXEESVSA-N 2 2 215.341 0.393 20 0 BCADLP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])[nH]1 ZINC000415011363 386489792 /nfs/dbraw/zinc/48/97/92/386489792.db2.gz HPPQMOIGPMIEGP-YUMQZZPRSA-N 2 2 225.292 0.627 20 0 BCADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000417355822 386493083 /nfs/dbraw/zinc/49/30/83/386493083.db2.gz OKJBWJUDUWZDDU-SNVBAGLBSA-N 2 2 239.363 0.727 20 0 BCADLP Cn1ccc(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc1=O ZINC000647897954 386498297 /nfs/dbraw/zinc/49/82/97/386498297.db2.gz ZDVCTUDKHTZFIV-CYBMUJFWSA-N 2 2 247.342 0.712 20 0 BCADLP Cn1ccc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc1=O ZINC000647897954 386498300 /nfs/dbraw/zinc/49/83/00/386498300.db2.gz ZDVCTUDKHTZFIV-CYBMUJFWSA-N 2 2 247.342 0.712 20 0 BCADLP C[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H]1CCOC1 ZINC000135265135 386500351 /nfs/dbraw/zinc/50/03/51/386500351.db2.gz UCVGDIHJOXDKDD-MRVPVSSYSA-N 2 2 240.307 0.484 20 0 BCADLP C[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H]1CCOC1 ZINC000135265135 386500356 /nfs/dbraw/zinc/50/03/56/386500356.db2.gz UCVGDIHJOXDKDD-MRVPVSSYSA-N 2 2 240.307 0.484 20 0 BCADLP C[NH2+]C[C@H]1CCN(CC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000519606853 386502912 /nfs/dbraw/zinc/50/29/12/386502912.db2.gz OGYFCTCJUUXSKL-CHWSQXEVSA-N 2 2 241.379 0.248 20 0 BCADLP C[NH2+]C[C@H]1CCN(CC[N@H+]2CCO[C@H](C)C2)C1 ZINC000519606853 386502920 /nfs/dbraw/zinc/50/29/20/386502920.db2.gz OGYFCTCJUUXSKL-CHWSQXEVSA-N 2 2 241.379 0.248 20 0 BCADLP Cn1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)nn1 ZINC000336783805 386509158 /nfs/dbraw/zinc/50/91/58/386509158.db2.gz HPZZPQPBEXNDOV-UHFFFAOYSA-N 2 2 246.318 0.918 20 0 BCADLP Cc1cn[nH]c1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000335447270 386513907 /nfs/dbraw/zinc/51/39/07/386513907.db2.gz BRLZPXBOKZHHPS-ZJUUUORDSA-N 2 2 208.309 0.887 20 0 BCADLP Cc1cn[nH]c1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000335447269 386514874 /nfs/dbraw/zinc/51/48/74/386514874.db2.gz BRLZPXBOKZHHPS-VHSXEESVSA-N 2 2 208.309 0.887 20 0 BCADLP C[C@]1(C[NH+]2CCC3(CC[NH2+]3)CC2)CC[NH2+]C1 ZINC000335448800 386516500 /nfs/dbraw/zinc/51/65/00/386516500.db2.gz SUSTVBYCZIGXFT-LBPRGKRZSA-N 3 2 223.364 0.814 20 0 BCADLP Cc1cn[nH]c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000335449144 386517240 /nfs/dbraw/zinc/51/72/40/386517240.db2.gz VZLBNUHJATURER-NXEZZACHSA-N 2 2 208.309 0.887 20 0 BCADLP Cc1cn[nH]c1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000335449144 386517245 /nfs/dbraw/zinc/51/72/45/386517245.db2.gz VZLBNUHJATURER-NXEZZACHSA-N 2 2 208.309 0.887 20 0 BCADLP Cc1c[nH]nc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000335449144 386517249 /nfs/dbraw/zinc/51/72/49/386517249.db2.gz VZLBNUHJATURER-NXEZZACHSA-N 2 2 208.309 0.887 20 0 BCADLP Cc1c[nH]nc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000335449144 386517253 /nfs/dbraw/zinc/51/72/53/386517253.db2.gz VZLBNUHJATURER-NXEZZACHSA-N 2 2 208.309 0.887 20 0 BCADLP CCOc1cccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)n1 ZINC000415031258 386518971 /nfs/dbraw/zinc/51/89/71/386518971.db2.gz GCASRYRIPQQABI-PJXYFTJBSA-N 2 2 233.315 0.788 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[NH2+][C@H]1CCN(C(C)C)C1=O ZINC000415076679 386577218 /nfs/dbraw/zinc/57/72/18/386577218.db2.gz DIDPBNKMYMGYSH-NEPJUHHUSA-N 2 2 241.379 0.959 20 0 BCADLP CCn1nccc1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414800620 386587590 /nfs/dbraw/zinc/58/75/90/386587590.db2.gz SGMKIIHBSDLMLJ-NSHDSACASA-N 2 2 210.325 0.976 20 0 BCADLP C[C@@H](COCC(F)(F)F)[NH2+][C@@H]1CC[NH2+]C1 ZINC000415080903 386590786 /nfs/dbraw/zinc/59/07/86/386590786.db2.gz MIMCXHAFYAEJFX-JGVFFNPUSA-N 2 2 226.242 0.905 20 0 BCADLP Cn1cc(C[N@H+](C)C[C@@]2(C)CC[NH2+]C2)cn1 ZINC000062911711 386531068 /nfs/dbraw/zinc/53/10/68/386531068.db2.gz WJDXFLWBKHXIDQ-LBPRGKRZSA-N 2 2 222.336 0.852 20 0 BCADLP Cn1cc(C[N@@H+](C)C[C@@]2(C)CC[NH2+]C2)cn1 ZINC000062911711 386531073 /nfs/dbraw/zinc/53/10/73/386531073.db2.gz WJDXFLWBKHXIDQ-LBPRGKRZSA-N 2 2 222.336 0.852 20 0 BCADLP Cn1cc(C[N@H+](C)C[C@]2(C)CC[NH2+]C2)cn1 ZINC000062911712 386533569 /nfs/dbraw/zinc/53/35/69/386533569.db2.gz WJDXFLWBKHXIDQ-GFCCVEGCSA-N 2 2 222.336 0.852 20 0 BCADLP Cn1cc(C[N@@H+](C)C[C@]2(C)CC[NH2+]C2)cn1 ZINC000062911712 386533573 /nfs/dbraw/zinc/53/35/73/386533573.db2.gz WJDXFLWBKHXIDQ-GFCCVEGCSA-N 2 2 222.336 0.852 20 0 BCADLP C[C@@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000278499832 386536496 /nfs/dbraw/zinc/53/64/96/386536496.db2.gz ABTHFXHBKKDUDL-SECBINFHSA-N 2 2 209.293 0.970 20 0 BCADLP NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000123450997 386554845 /nfs/dbraw/zinc/55/48/45/386554845.db2.gz CHKPCPINVLQVBC-GFCCVEGCSA-N 2 2 233.315 0.709 20 0 BCADLP NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000123450997 386554851 /nfs/dbraw/zinc/55/48/51/386554851.db2.gz CHKPCPINVLQVBC-GFCCVEGCSA-N 2 2 233.315 0.709 20 0 BCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000519774497 386555669 /nfs/dbraw/zinc/55/56/69/386555669.db2.gz RWSXZAXUDBZXLJ-RKDXNWHRSA-N 2 2 239.323 0.345 20 0 BCADLP CCN1C[C@H]([NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)CC1=O ZINC000391648017 386558144 /nfs/dbraw/zinc/55/81/44/386558144.db2.gz VQGIZYFIAIPEIA-QJPTWQEYSA-N 2 2 239.363 0.727 20 0 BCADLP CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415071842 386563571 /nfs/dbraw/zinc/56/35/71/386563571.db2.gz LAATYLDXYGCOLX-GHMZBOCLSA-N 2 2 248.392 0.541 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000415109786 386620175 /nfs/dbraw/zinc/62/01/75/386620175.db2.gz MJFWXPMKVCHTKL-NEPJUHHUSA-N 2 2 230.352 0.179 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000415109786 386620180 /nfs/dbraw/zinc/62/01/80/386620180.db2.gz MJFWXPMKVCHTKL-NEPJUHHUSA-N 2 2 230.352 0.179 20 0 BCADLP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000415110334 386620638 /nfs/dbraw/zinc/62/06/38/386620638.db2.gz SNPVQRQSHILTGA-UONOGXRCSA-N 2 2 234.343 0.850 20 0 BCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000320572658 386623704 /nfs/dbraw/zinc/62/37/04/386623704.db2.gz SMTIBEZUMWLLHE-UWVGGRQHSA-N 2 2 224.308 0.515 20 0 BCADLP Cn1ncc(Cl)c1C[NH2+]CC(C)(C)[NH3+] ZINC000414809234 386627334 /nfs/dbraw/zinc/62/73/34/386627334.db2.gz VFGXEMMOBLFOEA-UHFFFAOYSA-N 2 2 216.716 0.900 20 0 BCADLP C[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000415138974 386633325 /nfs/dbraw/zinc/63/33/25/386633325.db2.gz ZJULGMKNBGSMDW-JHJVBQTASA-N 3 2 225.380 0.903 20 0 BCADLP C[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000415138974 386633330 /nfs/dbraw/zinc/63/33/30/386633330.db2.gz ZJULGMKNBGSMDW-JHJVBQTASA-N 3 2 225.380 0.903 20 0 BCADLP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1CCCNC1=O ZINC000337194140 386646006 /nfs/dbraw/zinc/64/60/06/386646006.db2.gz AAYLNHFEJLUVAW-GFCCVEGCSA-N 2 2 239.363 0.683 20 0 BCADLP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCCNC1=O ZINC000337194140 386646013 /nfs/dbraw/zinc/64/60/13/386646013.db2.gz AAYLNHFEJLUVAW-GFCCVEGCSA-N 2 2 239.363 0.683 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000520198482 386600010 /nfs/dbraw/zinc/60/00/10/386600010.db2.gz KGJUJTBKQKHUJE-LLVKDONJSA-N 2 2 248.330 0.933 20 0 BCADLP CCNC(=O)C(C)(C)[NH2+]C[C@H]([NH3+])CC(C)C ZINC000415091157 386611553 /nfs/dbraw/zinc/61/15/53/386611553.db2.gz BVGKBDLTUPHWIF-SNVBAGLBSA-N 2 2 229.368 0.864 20 0 BCADLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ncn(C)n1 ZINC000391880260 386692757 /nfs/dbraw/zinc/69/27/57/386692757.db2.gz VROPFDHRWIMIIT-LPEHRKFASA-N 2 2 223.324 0.736 20 0 BCADLP CC(C)[C@H](CO)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336760143 386700567 /nfs/dbraw/zinc/70/05/67/386700567.db2.gz LZEXGYYHTHPBJC-SRVKXCTJSA-N 2 2 214.353 0.791 20 0 BCADLP CC(C)[C@H](CO)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336760143 386700579 /nfs/dbraw/zinc/70/05/79/386700579.db2.gz LZEXGYYHTHPBJC-SRVKXCTJSA-N 2 2 214.353 0.791 20 0 BCADLP C[NH2+]CC[NH2+]Cc1ccc(C(=O)OC)cc1 ZINC000414833532 386713926 /nfs/dbraw/zinc/71/39/26/386713926.db2.gz SJWJNYHNLIMWMB-UHFFFAOYSA-N 2 2 222.288 0.782 20 0 BCADLP CO[C@H]1C[C@@H](C(N)=O)[N@H+](CCn2cc[nH+]c2)C1 ZINC000330510296 386746290 /nfs/dbraw/zinc/74/62/90/386746290.db2.gz AOPZFTOTQXLRKE-UWVGGRQHSA-N 2 2 238.291 0.508 20 0 BCADLP CO[C@H]1C[C@@H](C(N)=O)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000330510296 386746295 /nfs/dbraw/zinc/74/62/95/386746295.db2.gz AOPZFTOTQXLRKE-UWVGGRQHSA-N 2 2 238.291 0.508 20 0 BCADLP CCC[C@H](C)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000357305732 386755723 /nfs/dbraw/zinc/75/57/23/386755723.db2.gz KSJBQSBAVKFFDP-LBPRGKRZSA-N 2 2 241.379 0.881 20 0 BCADLP CCC[C@H](C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000357305732 386755730 /nfs/dbraw/zinc/75/57/30/386755730.db2.gz KSJBQSBAVKFFDP-LBPRGKRZSA-N 2 2 241.379 0.881 20 0 BCADLP C[C@@H](C[NH3+])C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000357247257 386743829 /nfs/dbraw/zinc/74/38/29/386743829.db2.gz ZFJSXWDHXQQRSW-VIFPVBQESA-N 2 2 236.319 0.711 20 0 BCADLP C[C@@H](C[NH3+])C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000357247257 386743836 /nfs/dbraw/zinc/74/38/36/386743836.db2.gz ZFJSXWDHXQQRSW-VIFPVBQESA-N 2 2 236.319 0.711 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000192528121 386791427 /nfs/dbraw/zinc/79/14/27/386791427.db2.gz LCIXMTOKEBVGOZ-NWDGAFQWSA-N 2 2 230.352 0.579 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000192528121 386791432 /nfs/dbraw/zinc/79/14/32/386791432.db2.gz LCIXMTOKEBVGOZ-NWDGAFQWSA-N 2 2 230.352 0.579 20 0 BCADLP C[N@H+](C[C@H]1CCOC1)C1CC[NH+](CCO)CC1 ZINC000357653059 386821312 /nfs/dbraw/zinc/82/13/12/386821312.db2.gz WGCZDLSFSWKHMU-GFCCVEGCSA-N 2 2 242.363 0.411 20 0 BCADLP C[N@@H+](C[C@H]1CCOC1)C1CC[NH+](CCO)CC1 ZINC000357653059 386821318 /nfs/dbraw/zinc/82/13/18/386821318.db2.gz WGCZDLSFSWKHMU-GFCCVEGCSA-N 2 2 242.363 0.411 20 0 BCADLP CS[C@H]1CN(Cc2c[nH+]c[nH]2)C[C@@H]1[NH+](C)C ZINC000280293814 386801648 /nfs/dbraw/zinc/80/16/48/386801648.db2.gz UWMVKZJGTQFTJH-QWRGUYRKSA-N 2 2 240.376 0.887 20 0 BCADLP CS[C@H]1CN(Cc2c[nH]c[nH+]2)C[C@@H]1[NH+](C)C ZINC000280293814 386801651 /nfs/dbraw/zinc/80/16/51/386801651.db2.gz UWMVKZJGTQFTJH-QWRGUYRKSA-N 2 2 240.376 0.887 20 0 BCADLP C[C@H](O)C[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336671077 386812730 /nfs/dbraw/zinc/81/27/30/386812730.db2.gz YYOAZBLPUXSUHA-XWLWVQCSSA-N 2 2 200.326 0.686 20 0 BCADLP C[C@H](O)C[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336671077 386812735 /nfs/dbraw/zinc/81/27/35/386812735.db2.gz YYOAZBLPUXSUHA-XWLWVQCSSA-N 2 2 200.326 0.686 20 0 BCADLP CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)C[NH3+] ZINC000414936328 386828105 /nfs/dbraw/zinc/82/81/05/386828105.db2.gz BYLLOMLBOROHKG-VIFPVBQESA-N 2 2 224.352 0.982 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330229269 386838993 /nfs/dbraw/zinc/83/89/93/386838993.db2.gz QAGKCDPNXJSWKA-NSHDSACASA-N 2 2 248.330 0.995 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330229269 386839000 /nfs/dbraw/zinc/83/90/00/386839000.db2.gz QAGKCDPNXJSWKA-NSHDSACASA-N 2 2 248.330 0.995 20 0 BCADLP Cc1ccn2cc(CNC(=O)[C@H]3CC[NH2+]3)[nH+]c2c1 ZINC000335710129 386844027 /nfs/dbraw/zinc/84/40/27/386844027.db2.gz GNQZEMWOKOLYGA-LLVKDONJSA-N 2 2 244.298 0.621 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@@H](C)C[NH+](C)C ZINC000293636935 386850815 /nfs/dbraw/zinc/85/08/15/386850815.db2.gz DCLBTXGFDVCAKC-SECBINFHSA-N 2 2 238.335 0.575 20 0 BCADLP CC[NH2+][C@H](C)C[NH2+]Cc1cnc(N(C)C)nc1 ZINC000414937841 386857284 /nfs/dbraw/zinc/85/72/84/386857284.db2.gz COQIYXKITSBFIC-SNVBAGLBSA-N 2 2 237.351 0.630 20 0 BCADLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC1([NH3+])CCC1 ZINC000331511615 386862182 /nfs/dbraw/zinc/86/21/82/386862182.db2.gz BKBAFQSWJFWZHG-MNOVXSKESA-N 3 2 211.353 0.988 20 0 BCADLP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CC1([NH3+])CCC1 ZINC000331511614 386862409 /nfs/dbraw/zinc/86/24/09/386862409.db2.gz BKBAFQSWJFWZHG-GHMZBOCLSA-N 3 2 211.353 0.988 20 0 BCADLP C[C@@H](C[NH3+])[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000414939703 386863885 /nfs/dbraw/zinc/86/38/85/386863885.db2.gz GTTARGZNLNACGJ-YFKPBYRVSA-N 2 2 222.214 0.865 20 0 BCADLP COC(=O)c1cc(C[NH2+][C@@H](C)C[NH3+])oc1C ZINC000414938982 386867205 /nfs/dbraw/zinc/86/72/05/386867205.db2.gz FUCMJBQFKSMEBA-ZETCQYMHSA-N 2 2 226.276 0.811 20 0 BCADLP Cc1c[nH+]c(CNC[C@](C)(O)C[NH+](C)C)n1C ZINC000341279336 386875257 /nfs/dbraw/zinc/87/52/57/386875257.db2.gz IZFWIXGISVGJPF-LBPRGKRZSA-N 2 2 240.351 0.131 20 0 BCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccn1 ZINC000358226325 386915154 /nfs/dbraw/zinc/91/51/54/386915154.db2.gz DHXOEJSBVMDHCC-AAEUAGOBSA-N 2 2 235.331 0.799 20 0 BCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccn1 ZINC000358226325 386915158 /nfs/dbraw/zinc/91/51/58/386915158.db2.gz DHXOEJSBVMDHCC-AAEUAGOBSA-N 2 2 235.331 0.799 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000334861633 386916048 /nfs/dbraw/zinc/91/60/48/386916048.db2.gz DSHZGEMVJBJBEG-MWLCHTKSSA-N 2 2 208.309 0.508 20 0 BCADLP Cn1ncnc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331768197 386897740 /nfs/dbraw/zinc/89/77/40/386897740.db2.gz COUXIMHMQMICDO-SNVBAGLBSA-N 2 2 246.318 0.918 20 0 BCADLP Cn1ncnc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331768197 386897743 /nfs/dbraw/zinc/89/77/43/386897743.db2.gz COUXIMHMQMICDO-SNVBAGLBSA-N 2 2 246.318 0.918 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cnc(N(C)C)nc1 ZINC000414942514 386900041 /nfs/dbraw/zinc/90/00/41/386900041.db2.gz ZOSSJFMKRWPNJS-ZYHUDNBSSA-N 2 2 249.362 0.630 20 0 BCADLP C[C@]1(C[N@@H+]2CCO[C@H](CF)C2)CC[NH2+]C1 ZINC000334851295 386900283 /nfs/dbraw/zinc/90/02/83/386900283.db2.gz BQWBWXGVKMUQDV-MNOVXSKESA-N 2 2 216.300 0.656 20 0 BCADLP C[C@]1(C[N@H+]2CCO[C@H](CF)C2)CC[NH2+]C1 ZINC000334851295 386900286 /nfs/dbraw/zinc/90/02/86/386900286.db2.gz BQWBWXGVKMUQDV-MNOVXSKESA-N 2 2 216.300 0.656 20 0 BCADLP CC(C)Cn1cc(C[NH2+][C@@H](C)C[NH3+])cn1 ZINC000414944076 386903105 /nfs/dbraw/zinc/90/31/05/386903105.db2.gz NFNOWPDIDUNACP-JTQLQIEISA-N 2 2 210.325 0.976 20 0 BCADLP C[C@]1(C[NH2+][C@@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000334873123 386932502 /nfs/dbraw/zinc/93/25/02/386932502.db2.gz HENIRLDLVKULQV-NEPJUHHUSA-N 3 2 211.353 0.718 20 0 BCADLP [NH3+]C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccnc1 ZINC000358319270 386933177 /nfs/dbraw/zinc/93/31/77/386933177.db2.gz GGYQARVLLNHTLY-LBPRGKRZSA-N 2 2 248.330 0.833 20 0 BCADLP [NH3+]C[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccnc1 ZINC000358319270 386933183 /nfs/dbraw/zinc/93/31/83/386933183.db2.gz GGYQARVLLNHTLY-LBPRGKRZSA-N 2 2 248.330 0.833 20 0 BCADLP Cc1cc(NC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc[nH+]1 ZINC000334822835 386952760 /nfs/dbraw/zinc/95/27/60/386952760.db2.gz FUHWFPPMFFGFTB-LDYMZIIASA-N 2 2 234.303 0.623 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](CO)[C@H]1C ZINC000395167121 386954619 /nfs/dbraw/zinc/95/46/19/386954619.db2.gz GHPWRJJOBWAKOT-ZYHUDNBSSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](CO)[C@H]1C ZINC000395167121 386954622 /nfs/dbraw/zinc/95/46/22/386954622.db2.gz GHPWRJJOBWAKOT-ZYHUDNBSSA-N 2 2 223.320 0.894 20 0 BCADLP CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368352212 386964987 /nfs/dbraw/zinc/96/49/87/386964987.db2.gz PJUONAXEPLBBDJ-WCQYABFASA-N 2 2 240.347 0.966 20 0 BCADLP CC[C@@H](C(=O)OC)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368352212 386964989 /nfs/dbraw/zinc/96/49/89/386964989.db2.gz PJUONAXEPLBBDJ-WCQYABFASA-N 2 2 240.347 0.966 20 0 BCADLP CC[C@@H](C(=O)OC)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368352212 386964990 /nfs/dbraw/zinc/96/49/90/386964990.db2.gz PJUONAXEPLBBDJ-WCQYABFASA-N 2 2 240.347 0.966 20 0 BCADLP CC[C@@H](C(=O)OC)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368352212 386964993 /nfs/dbraw/zinc/96/49/93/386964993.db2.gz PJUONAXEPLBBDJ-WCQYABFASA-N 2 2 240.347 0.966 20 0 BCADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1([NH3+])CCC1 ZINC000332422364 386980148 /nfs/dbraw/zinc/98/01/48/386980148.db2.gz CXHBVWQQPALXCE-QWRGUYRKSA-N 3 2 211.353 0.975 20 0 BCADLP Cc1cc(C[NH2+]C2CC([NH+](C)C)C2)n(C)n1 ZINC000518999620 386983104 /nfs/dbraw/zinc/98/31/04/386983104.db2.gz HSXYSTYPJUROHO-UHFFFAOYSA-N 2 2 222.336 0.911 20 0 BCADLP C[C@@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)[NH+](C)C ZINC000336745339 386985162 /nfs/dbraw/zinc/98/51/62/386985162.db2.gz QRSHMUTZSFNWMF-UWVGGRQHSA-N 2 2 227.352 0.583 20 0 BCADLP C[C@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)[NH+](C)C ZINC000336745341 386985283 /nfs/dbraw/zinc/98/52/83/386985283.db2.gz QRSHMUTZSFNWMF-ZJUUUORDSA-N 2 2 227.352 0.583 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2c[nH]nn2)C1 ZINC000647966443 387005863 /nfs/dbraw/zinc/00/58/63/387005863.db2.gz SRKKWMHCMIEQMZ-NSHDSACASA-N 2 2 237.351 0.621 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2c[nH]nn2)C1 ZINC000647966443 387005867 /nfs/dbraw/zinc/00/58/67/387005867.db2.gz SRKKWMHCMIEQMZ-NSHDSACASA-N 2 2 237.351 0.621 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2c[nH]nn2)C1 ZINC000647966443 387005870 /nfs/dbraw/zinc/00/58/70/387005870.db2.gz SRKKWMHCMIEQMZ-NSHDSACASA-N 2 2 237.351 0.621 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2c[nH]nn2)C1 ZINC000647966443 387005874 /nfs/dbraw/zinc/00/58/74/387005874.db2.gz SRKKWMHCMIEQMZ-NSHDSACASA-N 2 2 237.351 0.621 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2cn[nH]n2)C1 ZINC000647966443 387005877 /nfs/dbraw/zinc/00/58/77/387005877.db2.gz SRKKWMHCMIEQMZ-NSHDSACASA-N 2 2 237.351 0.621 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2cn[nH]n2)C1 ZINC000647966443 387005882 /nfs/dbraw/zinc/00/58/82/387005882.db2.gz SRKKWMHCMIEQMZ-NSHDSACASA-N 2 2 237.351 0.621 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2cn[nH]n2)C1 ZINC000647966443 387005885 /nfs/dbraw/zinc/00/58/85/387005885.db2.gz SRKKWMHCMIEQMZ-NSHDSACASA-N 2 2 237.351 0.621 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2cn[nH]n2)C1 ZINC000647966443 387005889 /nfs/dbraw/zinc/00/58/89/387005889.db2.gz SRKKWMHCMIEQMZ-NSHDSACASA-N 2 2 237.351 0.621 20 0 BCADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ncn(C)n1 ZINC000392084038 387006412 /nfs/dbraw/zinc/00/64/12/387006412.db2.gz FDNHQDAFKWQSJT-SNVBAGLBSA-N 2 2 234.307 0.753 20 0 BCADLP Cc1cc(NC(=O)N2CC[NH2+][C@H](C)C2)cc[nH+]1 ZINC000334822096 386952239 /nfs/dbraw/zinc/95/22/39/386952239.db2.gz AXMXCMPNHOMPIF-SNVBAGLBSA-N 2 2 234.303 0.638 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCC[C@H]1O ZINC000333625916 387045711 /nfs/dbraw/zinc/04/57/11/387045711.db2.gz UZIULSMKUYUJCN-WRWGMCAJSA-N 2 2 228.336 0.256 20 0 BCADLP COC(=O)COC[C@@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000418117866 387056046 /nfs/dbraw/zinc/05/60/46/387056046.db2.gz UNZCADJAJWQJMP-SNVBAGLBSA-N 2 2 244.335 0.248 20 0 BCADLP CC(C)[N@H+](C)CC(=O)NCc1c[nH]c[nH+]1 ZINC000359131062 387057017 /nfs/dbraw/zinc/05/70/17/387057017.db2.gz LSZCZQGCXMBXGZ-UHFFFAOYSA-N 2 2 210.281 0.366 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)NCc1c[nH]c[nH+]1 ZINC000359131062 387057023 /nfs/dbraw/zinc/05/70/23/387057023.db2.gz LSZCZQGCXMBXGZ-UHFFFAOYSA-N 2 2 210.281 0.366 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000336764557 387058962 /nfs/dbraw/zinc/05/89/62/387058962.db2.gz QGHBVFXSRXCCNF-BDAKNGLRSA-N 2 2 213.325 0.323 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000336764557 387058968 /nfs/dbraw/zinc/05/89/68/387058968.db2.gz QGHBVFXSRXCCNF-BDAKNGLRSA-N 2 2 213.325 0.323 20 0 BCADLP O=C1C[C@]2(CC[N@H+](CCn3cc[nH+]c3)C2)CN1 ZINC000333068504 387016545 /nfs/dbraw/zinc/01/65/45/387016545.db2.gz UNIYRXPNZNAIBR-GFCCVEGCSA-N 2 2 234.303 0.095 20 0 BCADLP O=C1C[C@]2(CC[N@@H+](CCn3cc[nH+]c3)C2)CN1 ZINC000333068504 387016548 /nfs/dbraw/zinc/01/65/48/387016548.db2.gz UNIYRXPNZNAIBR-GFCCVEGCSA-N 2 2 234.303 0.095 20 0 BCADLP C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000399487090 387017290 /nfs/dbraw/zinc/01/72/90/387017290.db2.gz RWWLWJKVQGYDAK-RAIGVLPGSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@@H]1CC[C@@H](O)C[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000399487090 387017294 /nfs/dbraw/zinc/01/72/94/387017294.db2.gz RWWLWJKVQGYDAK-RAIGVLPGSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@@H]1CC[C@@H](O)C[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000399487090 387017298 /nfs/dbraw/zinc/01/72/98/387017298.db2.gz RWWLWJKVQGYDAK-RAIGVLPGSA-N 2 2 242.363 0.287 20 0 BCADLP C[C@@H]1CC[C@@H](O)C[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000399487090 387017306 /nfs/dbraw/zinc/01/73/06/387017306.db2.gz RWWLWJKVQGYDAK-RAIGVLPGSA-N 2 2 242.363 0.287 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)C[NH2+]CC1CC1 ZINC000070854913 387078962 /nfs/dbraw/zinc/07/89/62/387078962.db2.gz KQAIFANOIQIPQG-UHFFFAOYSA-N 2 2 222.292 0.036 20 0 BCADLP COC[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)C1CC1 ZINC000228166728 387079072 /nfs/dbraw/zinc/07/90/72/387079072.db2.gz WBQLMOCULALFHF-STQMWFEESA-N 2 2 241.379 0.247 20 0 BCADLP COC[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC000228166728 387079078 /nfs/dbraw/zinc/07/90/78/387079078.db2.gz WBQLMOCULALFHF-STQMWFEESA-N 2 2 241.379 0.247 20 0 BCADLP Cn1nncc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000370113410 387088937 /nfs/dbraw/zinc/08/89/37/387088937.db2.gz SXRPWFFSHGRSBM-UHFFFAOYSA-N 2 2 249.362 0.922 20 0 BCADLP COCC[C@](C)(O)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336765515 387094972 /nfs/dbraw/zinc/09/49/72/387094972.db2.gz OCUBEPXFTQRVOB-UTUOFQBUSA-N 2 2 230.352 0.314 20 0 BCADLP COCC[C@](C)(O)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336765515 387094975 /nfs/dbraw/zinc/09/49/75/387094975.db2.gz OCUBEPXFTQRVOB-UTUOFQBUSA-N 2 2 230.352 0.314 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000127234207 387099429 /nfs/dbraw/zinc/09/94/29/387099429.db2.gz FXPOHFLNBCZPGK-MNOVXSKESA-N 2 2 245.330 0.898 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000127234207 387099434 /nfs/dbraw/zinc/09/94/34/387099434.db2.gz FXPOHFLNBCZPGK-MNOVXSKESA-N 2 2 245.330 0.898 20 0 BCADLP CCC[NH2+]CC[NH2+][C@H](CC)Cn1cncn1 ZINC000423315978 387157801 /nfs/dbraw/zinc/15/78/01/387157801.db2.gz XTXOEBAXIOVJMA-LLVKDONJSA-N 2 2 225.340 0.646 20 0 BCADLP COCC[NH2+]CC[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000423330074 387172407 /nfs/dbraw/zinc/17/24/07/387172407.db2.gz LVUBBWHFRQPIAE-HBNTYKKESA-N 2 2 200.326 0.857 20 0 BCADLP COCC[NH2+]CC[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000423330072 387172598 /nfs/dbraw/zinc/17/25/98/387172598.db2.gz LVUBBWHFRQPIAE-AXFHLTTASA-N 2 2 200.326 0.857 20 0 BCADLP C[C@H](CNC(=O)C1(C)C[NH2+]C1)Cn1cc[nH+]c1 ZINC000423333075 387177755 /nfs/dbraw/zinc/17/77/55/387177755.db2.gz DSHJVXWFCTUYCI-SNVBAGLBSA-N 2 2 236.319 0.245 20 0 BCADLP CCN(C)C(=O)C[NH2+]C1CC[NH+](CC)CC1 ZINC000229587268 387184907 /nfs/dbraw/zinc/18/49/07/387184907.db2.gz ROYMFMLRCGTZKI-UHFFFAOYSA-N 2 2 227.352 0.539 20 0 BCADLP C[C@H]1C[C@@H](NCC(F)(F)C[NH3+])C[N@@H+]1C1CC1 ZINC000423350583 387202357 /nfs/dbraw/zinc/20/23/57/387202357.db2.gz ZTYGATIIRQFUHB-DTWKUNHWSA-N 2 2 233.306 0.795 20 0 BCADLP C[C@H]1C[C@@H](NCC(F)(F)C[NH3+])C[N@H+]1C1CC1 ZINC000423350583 387202362 /nfs/dbraw/zinc/20/23/62/387202362.db2.gz ZTYGATIIRQFUHB-DTWKUNHWSA-N 2 2 233.306 0.795 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423358527 387211011 /nfs/dbraw/zinc/21/10/11/387211011.db2.gz NTZPMJAXAXVQGK-UTUOFQBUSA-N 3 2 211.353 0.716 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000292049117 387219847 /nfs/dbraw/zinc/21/98/47/387219847.db2.gz IXRYFASTNGGCSS-JTQLQIEISA-N 2 2 236.319 0.867 20 0 BCADLP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)C[NH+](C)C)C2 ZINC000371512768 387226602 /nfs/dbraw/zinc/22/66/02/387226602.db2.gz WVZYFBROUKDBCT-SNVBAGLBSA-N 2 2 236.319 0.184 20 0 BCADLP CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccn(C)n1 ZINC000423421502 387250960 /nfs/dbraw/zinc/25/09/60/387250960.db2.gz CHRIJTDRBMIQKV-KLBPJQLPSA-N 2 2 220.320 0.679 20 0 BCADLP C[C@H](CN1CCOCC1)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000359939036 387194727 /nfs/dbraw/zinc/19/47/27/387194727.db2.gz BDKNKIAZFWLOFB-JHJVBQTASA-N 2 2 241.379 0.247 20 0 BCADLP C[C@H](CN1CCOCC1)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000359939036 387194735 /nfs/dbraw/zinc/19/47/35/387194735.db2.gz BDKNKIAZFWLOFB-JHJVBQTASA-N 2 2 241.379 0.247 20 0 BCADLP CC[N@H+](C)CC[NH2+][C@@H](C)C(C)(C)n1cncn1 ZINC000353423912 387199402 /nfs/dbraw/zinc/19/94/02/387199402.db2.gz FUPOKKCDQKJSIF-NSHDSACASA-N 2 2 239.367 0.943 20 0 BCADLP CC[N@@H+](C)CC[NH2+][C@@H](C)C(C)(C)n1cncn1 ZINC000353423912 387199410 /nfs/dbraw/zinc/19/94/10/387199410.db2.gz FUPOKKCDQKJSIF-NSHDSACASA-N 2 2 239.367 0.943 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)n1C ZINC000514677940 387313178 /nfs/dbraw/zinc/31/31/78/387313178.db2.gz LWFIWEYXVMCDDJ-MNOVXSKESA-N 2 2 223.320 0.978 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccco1 ZINC000423466971 387315566 /nfs/dbraw/zinc/31/55/66/387315566.db2.gz ABHQNGKCAPTIDQ-MNOVXSKESA-N 2 2 223.320 0.834 20 0 BCADLP CC1(C(N)=O)C[NH+](CCC[NH+]2CCCCC2)C1 ZINC000514935004 387316406 /nfs/dbraw/zinc/31/64/06/387316406.db2.gz WYYCDULZRBZUFV-UHFFFAOYSA-N 2 2 239.363 0.670 20 0 BCADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CSC1 ZINC000648639695 387266715 /nfs/dbraw/zinc/26/67/15/387266715.db2.gz ZLWIXFGVKCAORA-LLVKDONJSA-N 2 2 230.377 0.538 20 0 BCADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C1CSC1 ZINC000648639695 387266716 /nfs/dbraw/zinc/26/67/16/387266716.db2.gz ZLWIXFGVKCAORA-LLVKDONJSA-N 2 2 230.377 0.538 20 0 BCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1cn[nH]c1 ZINC000648643908 387271513 /nfs/dbraw/zinc/27/15/13/387271513.db2.gz OLSLMAOBGFCOGX-GFCCVEGCSA-N 2 2 238.335 0.346 20 0 BCADLP CC/C=C/CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000572227736 387282072 /nfs/dbraw/zinc/28/20/72/387282072.db2.gz VTPUVXPBJLNRRF-SGUJLRQBSA-N 2 2 240.351 0.237 20 0 BCADLP COC(=O)CC1([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000514732975 387282810 /nfs/dbraw/zinc/28/28/10/387282810.db2.gz FKESXYPGAHEMCE-UHFFFAOYSA-N 2 2 237.303 0.959 20 0 BCADLP CC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000514789449 387287670 /nfs/dbraw/zinc/28/76/70/387287670.db2.gz AZFDWICZIJANBT-NEPJUHHUSA-N 2 2 230.352 0.194 20 0 BCADLP CC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000514789449 387287676 /nfs/dbraw/zinc/28/76/76/387287676.db2.gz AZFDWICZIJANBT-NEPJUHHUSA-N 2 2 230.352 0.194 20 0 BCADLP Cn1nncc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352535062 387291025 /nfs/dbraw/zinc/29/10/25/387291025.db2.gz LYEFVRUCTUXKSR-GFCCVEGCSA-N 2 2 235.335 0.391 20 0 BCADLP Cn1nncc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352535062 387291027 /nfs/dbraw/zinc/29/10/27/387291027.db2.gz LYEFVRUCTUXKSR-GFCCVEGCSA-N 2 2 235.335 0.391 20 0 BCADLP CNc1[nH+]cnc2c1cnn2CC[C@H]1CC[NH2+]C1 ZINC000514932031 387307983 /nfs/dbraw/zinc/30/79/83/387307983.db2.gz OGHBAGAPIDKQGM-SECBINFHSA-N 2 2 246.318 0.868 20 0 BCADLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)C(C)C ZINC000423522992 387355930 /nfs/dbraw/zinc/35/59/30/387355930.db2.gz MQDBNLXYKPYUFR-WDEREUQCSA-N 2 2 200.326 0.999 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423532433 387357598 /nfs/dbraw/zinc/35/75/98/387357598.db2.gz RDOOEXDIOZTZPI-WCFLWFBJSA-N 2 2 247.342 0.596 20 0 BCADLP CC1(C)CC[N@H+](CC(=O)NCc2[nH]cc[nH+]2)C1 ZINC000572385863 387369518 /nfs/dbraw/zinc/36/95/18/387369518.db2.gz GYTAWHWWFCUISR-UHFFFAOYSA-N 2 2 236.319 0.758 20 0 BCADLP CC1(C)CC[N@@H+](CC(=O)NCc2[nH]cc[nH+]2)C1 ZINC000572385863 387369521 /nfs/dbraw/zinc/36/95/21/387369521.db2.gz GYTAWHWWFCUISR-UHFFFAOYSA-N 2 2 236.319 0.758 20 0 BCADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000336550889 387371824 /nfs/dbraw/zinc/37/18/24/387371824.db2.gz WOXVYBOVQGLZBX-MNOVXSKESA-N 2 2 225.336 0.101 20 0 BCADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000336550889 387371829 /nfs/dbraw/zinc/37/18/29/387371829.db2.gz WOXVYBOVQGLZBX-MNOVXSKESA-N 2 2 225.336 0.101 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423553606 387371866 /nfs/dbraw/zinc/37/18/66/387371866.db2.gz KNVFCNGXGWRXET-FRRDWIJNSA-N 3 2 241.379 0.485 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC[NH2+]C1CC1 ZINC000423554194 387372150 /nfs/dbraw/zinc/37/21/50/387372150.db2.gz LKRNSWLWSGEORK-DGCLKSJQSA-N 3 2 241.379 0.485 20 0 BCADLP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423580717 387381862 /nfs/dbraw/zinc/38/18/62/387381862.db2.gz YEQZKSYXXHPQQL-YNEHKIRRSA-N 2 2 242.363 0.770 20 0 BCADLP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423580206 387381882 /nfs/dbraw/zinc/38/18/82/387381882.db2.gz XJCLKXOPGBUIGQ-YNEHKIRRSA-N 2 2 242.363 0.770 20 0 BCADLP O=C(Cn1cc[nH+]c1)N1CC[NH+]2CCC1CC2 ZINC000515024539 387325022 /nfs/dbraw/zinc/32/50/22/387325022.db2.gz GWWZRKHWAGTKBN-UHFFFAOYSA-N 2 2 234.303 0.190 20 0 BCADLP CC[C@H]([NH3+])C[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000423479936 387326490 /nfs/dbraw/zinc/32/64/90/387326490.db2.gz VQCVKAFCXLSNMC-SCVCMEIPSA-N 2 2 211.353 0.796 20 0 BCADLP Cc1cnn(C)c1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000286742306 387340322 /nfs/dbraw/zinc/34/03/22/387340322.db2.gz YGSVTMKYKXLQNU-GFCCVEGCSA-N 2 2 240.351 0.131 20 0 BCADLP Cc1ccncc1[C@H](C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423504954 387342340 /nfs/dbraw/zinc/34/23/40/387342340.db2.gz GHCQDSGJHLJONT-QWHCGFSZSA-N 2 2 248.374 0.944 20 0 BCADLP Cc1ccnc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)c1 ZINC000423512717 387348781 /nfs/dbraw/zinc/34/87/81/387348781.db2.gz KYLRXWADRHVNGS-QWHCGFSZSA-N 2 2 248.374 0.944 20 0 BCADLP Cc1cncc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)c1 ZINC000423517097 387350965 /nfs/dbraw/zinc/35/09/65/387350965.db2.gz NYRASLOKDHJNIF-TZMCWYRMSA-N 2 2 248.374 0.944 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)C(C)(C)C ZINC000423514646 387351333 /nfs/dbraw/zinc/35/13/33/387351333.db2.gz DPDRNOLZWHHQHR-NXEZZACHSA-N 2 2 200.326 0.999 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)[C@@H]1CCC[C@@H]1O ZINC000352661885 387426584 /nfs/dbraw/zinc/42/65/84/387426584.db2.gz ZLZIFFZQOKJWGB-MNOVXSKESA-N 2 2 209.293 0.728 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCC[C@@H]1O ZINC000352661885 387426589 /nfs/dbraw/zinc/42/65/89/387426589.db2.gz ZLZIFFZQOKJWGB-MNOVXSKESA-N 2 2 209.293 0.728 20 0 BCADLP O=C1OCC[C@@H]1[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374197325 387429080 /nfs/dbraw/zinc/42/90/80/387429080.db2.gz CCLUXSPMDNFZRP-NSHDSACASA-N 2 2 235.287 0.905 20 0 BCADLP C[C@H]([NH2+]CC(=O)NC1CCCC1)[C@H]1CCC[NH2+]1 ZINC000643469795 387429168 /nfs/dbraw/zinc/42/91/68/387429168.db2.gz PMBPSAOXLZISSJ-CMPLNLGQSA-N 2 2 239.363 0.775 20 0 BCADLP CC(C)[C@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])c1[nH]cc[nH+]1 ZINC000515840329 387433044 /nfs/dbraw/zinc/43/30/44/387433044.db2.gz LNWSWNPMQUYNLQ-VGMNWLOBSA-N 2 2 222.292 0.570 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c[nH+]1 ZINC000423633245 387389782 /nfs/dbraw/zinc/38/97/82/387389782.db2.gz KZUAOSKNSYJSID-VAOFZXAKSA-N 2 2 236.319 0.834 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000373890096 387400705 /nfs/dbraw/zinc/40/07/05/387400705.db2.gz CNJMGWYCKPZGEK-YIZRAAEISA-N 2 2 247.289 0.240 20 0 BCADLP COC[C@H]([NH2+]CCc1cn(C)c[nH+]1)C1CC1 ZINC000313251170 387402607 /nfs/dbraw/zinc/40/26/07/387402607.db2.gz IOKUJZDDWWRDNZ-LBPRGKRZSA-N 2 2 223.320 0.977 20 0 BCADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCNC(=O)C2)c1 ZINC000313247896 387403756 /nfs/dbraw/zinc/40/37/56/387403756.db2.gz ALCSPMIJGGTOQQ-SNVBAGLBSA-N 2 2 236.319 0.221 20 0 BCADLP CC(=O)NC1CCC([NH2+]C[C@H](C)[NH+](C)C)CC1 ZINC000361420077 387460606 /nfs/dbraw/zinc/46/06/06/387460606.db2.gz KPFJCOGECBNBJZ-PKSQDBQZSA-N 2 2 241.379 0.973 20 0 BCADLP FCCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000361628251 387513019 /nfs/dbraw/zinc/51/30/19/387513019.db2.gz HKCNAXLBIWQWDE-UHFFFAOYSA-N 2 2 226.299 0.887 20 0 BCADLP COC(=O)CC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000375231059 387518137 /nfs/dbraw/zinc/51/81/37/387518137.db2.gz VOJFCZIOHUTLEF-WDEREUQCSA-N 2 2 226.320 0.576 20 0 BCADLP COC(=O)CC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000375231059 387518141 /nfs/dbraw/zinc/51/81/41/387518141.db2.gz VOJFCZIOHUTLEF-WDEREUQCSA-N 2 2 226.320 0.576 20 0 BCADLP COC(=O)CC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000375231059 387518146 /nfs/dbraw/zinc/51/81/46/387518146.db2.gz VOJFCZIOHUTLEF-WDEREUQCSA-N 2 2 226.320 0.576 20 0 BCADLP COC(=O)CC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000375231059 387518152 /nfs/dbraw/zinc/51/81/52/387518152.db2.gz VOJFCZIOHUTLEF-WDEREUQCSA-N 2 2 226.320 0.576 20 0 BCADLP CC[NH+](CC)CCN1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000375232726 387519908 /nfs/dbraw/zinc/51/99/08/387519908.db2.gz DARKHCCOLGCGJC-ZDUSSCGKSA-N 2 2 241.379 0.345 20 0 BCADLP CC[NH+](CC)CCN1CC[N@H+]2CCOC[C@@H]2C1 ZINC000375232726 387519914 /nfs/dbraw/zinc/51/99/14/387519914.db2.gz DARKHCCOLGCGJC-ZDUSSCGKSA-N 2 2 241.379 0.345 20 0 BCADLP COC[C@H](CCO)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000300410320 387520275 /nfs/dbraw/zinc/52/02/75/387520275.db2.gz GSNHCJQMVRARRD-SRVKXCTJSA-N 2 2 242.363 0.599 20 0 BCADLP COC[C@H](CCO)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000300410320 387520280 /nfs/dbraw/zinc/52/02/80/387520280.db2.gz GSNHCJQMVRARRD-SRVKXCTJSA-N 2 2 242.363 0.599 20 0 BCADLP COC(=O)C[C@]1([NH2+]Cc2c[nH]cn2)CCOC1 ZINC000361743293 387529776 /nfs/dbraw/zinc/52/97/76/387529776.db2.gz MIXRKOFKXTYJRS-LLVKDONJSA-N 2 2 239.275 0.222 20 0 BCADLP COC(=O)C[C@]1([NH2+]Cc2c[nH+]c[nH]2)CCOC1 ZINC000361743293 387529779 /nfs/dbraw/zinc/52/97/79/387529779.db2.gz MIXRKOFKXTYJRS-LLVKDONJSA-N 2 2 239.275 0.222 20 0 BCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1[nH+]ccn1C ZINC000336630653 387481993 /nfs/dbraw/zinc/48/19/93/387481993.db2.gz GMTNIQWKQUVRIH-GHMZBOCLSA-N 2 2 222.336 0.945 20 0 BCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1[nH+]ccn1C ZINC000336630653 387481997 /nfs/dbraw/zinc/48/19/97/387481997.db2.gz GMTNIQWKQUVRIH-GHMZBOCLSA-N 2 2 222.336 0.945 20 0 BCADLP Cc1ccc(CCC[NH+]2C[C@H](O)[C@@H](O)C2)c[nH+]1 ZINC000355144089 387487118 /nfs/dbraw/zinc/48/71/18/387487118.db2.gz CHXHHOSANQMWOY-STQMWFEESA-N 2 2 236.315 0.360 20 0 BCADLP CC(C)([NH3+])c1noc(C[N@H+](CCO)C2CC2)n1 ZINC000430592632 387629834 /nfs/dbraw/zinc/62/98/34/387629834.db2.gz CKKGRAPITDESBI-UHFFFAOYSA-N 2 2 240.307 0.220 20 0 BCADLP CC(C)([NH3+])c1noc(C[N@@H+](CCO)C2CC2)n1 ZINC000430592632 387629836 /nfs/dbraw/zinc/62/98/36/387629836.db2.gz CKKGRAPITDESBI-UHFFFAOYSA-N 2 2 240.307 0.220 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000375935220 387593916 /nfs/dbraw/zinc/59/39/16/387593916.db2.gz VEORQNLHONWFNW-NEPJUHHUSA-N 2 2 248.330 0.484 20 0 BCADLP COC[C@H](C)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422699248 387615742 /nfs/dbraw/zinc/61/57/42/387615742.db2.gz CTUJYCGWWMGAOS-KGYLQXTDSA-N 2 2 242.363 0.626 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1COCCO1)[C@@H]1CCCC[NH2+]1 ZINC000422708557 387622832 /nfs/dbraw/zinc/62/28/32/387622832.db2.gz JDQQBVMYAYVZEV-UTUOFQBUSA-N 2 2 228.336 0.522 20 0 BCADLP CCC[C@H](O)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422713657 387625923 /nfs/dbraw/zinc/62/59/23/387625923.db2.gz PWWSENJXLBMCBJ-YNEHKIRRSA-N 2 2 242.363 0.504 20 0 BCADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c(C)cn2C1)C(N)=O ZINC000112540193 387545533 /nfs/dbraw/zinc/54/55/33/387545533.db2.gz QCBCGRZEHCJTEJ-ZJUUUORDSA-N 2 2 236.319 0.360 20 0 BCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCOC[C@@H](O)C1 ZINC000399859722 387575614 /nfs/dbraw/zinc/57/56/14/387575614.db2.gz LJHZFUKDDBSSFL-STQMWFEESA-N 2 2 242.363 0.554 20 0 BCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCOC[C@@H](O)C1 ZINC000399859722 387575616 /nfs/dbraw/zinc/57/56/16/387575616.db2.gz LJHZFUKDDBSSFL-STQMWFEESA-N 2 2 242.363 0.554 20 0 BCADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCOC[C@@H](O)C1 ZINC000399859722 387575620 /nfs/dbraw/zinc/57/56/20/387575620.db2.gz LJHZFUKDDBSSFL-STQMWFEESA-N 2 2 242.363 0.554 20 0 BCADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCOC[C@@H](O)C1 ZINC000399859722 387575624 /nfs/dbraw/zinc/57/56/24/387575624.db2.gz LJHZFUKDDBSSFL-STQMWFEESA-N 2 2 242.363 0.554 20 0 BCADLP C[C@@](C[NH3+])(NCCC[NH+]1CCOCC1)C1CC1 ZINC000430583137 387630570 /nfs/dbraw/zinc/63/05/70/387630570.db2.gz MEUAINKKWDURFJ-ZDUSSCGKSA-N 2 2 241.379 0.426 20 0 BCADLP CCC[C@H](O)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422718682 387630723 /nfs/dbraw/zinc/63/07/23/387630723.db2.gz XHGFSRFOKJXOKC-DCAQKATOSA-N 2 2 200.326 0.735 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCN1CCOC[C@@H]1C ZINC000422718871 387631142 /nfs/dbraw/zinc/63/11/42/387631142.db2.gz QIQPTIXJJWYIGS-FRRDWIJNSA-N 2 2 241.379 0.295 20 0 BCADLP CC(C)[C@@H](C)NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430581426 387631507 /nfs/dbraw/zinc/63/15/07/387631507.db2.gz IYYYQCQZONCNJS-ZWNOBZJWSA-N 2 2 241.379 0.864 20 0 BCADLP [NH3+]C1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000430616239 387632294 /nfs/dbraw/zinc/63/22/94/387632294.db2.gz FRUDFOVVTIWVAJ-NSHDSACASA-N 2 2 223.320 0.173 20 0 BCADLP CN(CC1CC1)C(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000430615713 387632508 /nfs/dbraw/zinc/63/25/08/387632508.db2.gz CYKFNGXMGOLWER-UHFFFAOYSA-N 2 2 239.363 0.539 20 0 BCADLP CN(CC1CC1)C(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000430615713 387632511 /nfs/dbraw/zinc/63/25/11/387632511.db2.gz CYKFNGXMGOLWER-UHFFFAOYSA-N 2 2 239.363 0.539 20 0 BCADLP C[N@H+](CC(=O)Nc1ccncc1)C1CC[NH2+]CC1 ZINC000430598649 387632681 /nfs/dbraw/zinc/63/26/81/387632681.db2.gz DKUOTYKAHUWAPJ-UHFFFAOYSA-N 2 2 248.330 0.126 20 0 BCADLP C[N@@H+](CC(=O)Nc1ccncc1)C1CC[NH2+]CC1 ZINC000430598649 387632691 /nfs/dbraw/zinc/63/26/91/387632691.db2.gz DKUOTYKAHUWAPJ-UHFFFAOYSA-N 2 2 248.330 0.126 20 0 BCADLP C[C@H]([NH2+]CCN1CCOC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422720376 387632828 /nfs/dbraw/zinc/63/28/28/387632828.db2.gz SJXSRQYYWSHGNE-AGIUHOORSA-N 2 2 241.379 0.437 20 0 BCADLP O=C([C@@H]1CC[NH2+]C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000430677792 387638018 /nfs/dbraw/zinc/63/80/18/387638018.db2.gz HBNYSSGCGZBIBN-MNOVXSKESA-N 2 2 248.330 0.725 20 0 BCADLP COCCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422731410 387639796 /nfs/dbraw/zinc/63/97/96/387639796.db2.gz LNVXRWQMZGWLRR-NEPJUHHUSA-N 2 2 228.336 0.380 20 0 BCADLP COCC[NH2+]CC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000643517179 387640587 /nfs/dbraw/zinc/64/05/87/387640587.db2.gz GEAGVLPCDNVJMY-NWDGAFQWSA-N 2 2 230.352 0.770 20 0 BCADLP C[C@H](CNC(=O)C1([NH3+])CC1)Cn1cc[nH+]c1 ZINC000430692112 387640719 /nfs/dbraw/zinc/64/07/19/387640719.db2.gz LQNBUNUJGSNTAH-SECBINFHSA-N 2 2 222.292 0.127 20 0 BCADLP [NH3+]CC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000430688842 387641043 /nfs/dbraw/zinc/64/10/43/387641043.db2.gz AHVUQSZCMGOYSA-UHFFFAOYSA-N 2 2 249.314 0.416 20 0 BCADLP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)[NH+](C)C ZINC000422734823 387642484 /nfs/dbraw/zinc/64/24/84/387642484.db2.gz CZZGNRMMELYPSI-UTUOFQBUSA-N 3 2 213.369 0.914 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000422735624 387643391 /nfs/dbraw/zinc/64/33/91/387643391.db2.gz WJKBNCBPLXCSDR-OLZOCXBDSA-N 2 2 241.379 0.296 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1NCCC[NH+]1CCOCC1 ZINC000422735624 387643395 /nfs/dbraw/zinc/64/33/95/387643395.db2.gz WJKBNCBPLXCSDR-OLZOCXBDSA-N 2 2 241.379 0.296 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000362786460 387658126 /nfs/dbraw/zinc/65/81/26/387658126.db2.gz UIXHDNQORMCBQA-WDEREUQCSA-N 2 2 233.315 0.948 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000362786460 387658131 /nfs/dbraw/zinc/65/81/31/387658131.db2.gz UIXHDNQORMCBQA-WDEREUQCSA-N 2 2 233.315 0.948 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc[nH]n2)C1 ZINC000125558260 387660087 /nfs/dbraw/zinc/66/00/87/387660087.db2.gz OJKYKZMIEITKDM-JTQLQIEISA-N 2 2 208.309 0.793 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000125558260 387660090 /nfs/dbraw/zinc/66/00/90/387660090.db2.gz OJKYKZMIEITKDM-JTQLQIEISA-N 2 2 208.309 0.793 20 0 BCADLP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422762372 387662918 /nfs/dbraw/zinc/66/29/18/387662918.db2.gz NPEBFZKOBVSDQX-IJLUTSLNSA-N 2 2 239.363 0.585 20 0 BCADLP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)CC[C@H]1[NH3+] ZINC000430927140 387663476 /nfs/dbraw/zinc/66/34/76/387663476.db2.gz PRAIMWNCPWJWDH-ZYHUDNBSSA-N 2 2 239.363 0.524 20 0 BCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)CC[C@H]1[NH3+] ZINC000430927140 387663479 /nfs/dbraw/zinc/66/34/79/387663479.db2.gz PRAIMWNCPWJWDH-ZYHUDNBSSA-N 2 2 239.363 0.524 20 0 BCADLP NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430959662 387666403 /nfs/dbraw/zinc/66/64/03/387666403.db2.gz CUTBMEXFKQZMPE-JQWIXIFHSA-N 2 2 233.315 0.494 20 0 BCADLP NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430959662 387666408 /nfs/dbraw/zinc/66/64/08/387666408.db2.gz CUTBMEXFKQZMPE-JQWIXIFHSA-N 2 2 233.315 0.494 20 0 BCADLP C[C@H]([NH2+]CC(F)(F)CN)C1CC[NH+](C)CC1 ZINC000643519933 387672319 /nfs/dbraw/zinc/67/23/19/387672319.db2.gz JAHGZQPLOANVLP-VIFPVBQESA-N 2 2 235.322 0.900 20 0 BCADLP c1cn(-c2cc(C[NH2+]C3COC3)ccn2)c[nH+]1 ZINC000376835320 387674595 /nfs/dbraw/zinc/67/45/95/387674595.db2.gz SQJVUJIKXQEHPS-UHFFFAOYSA-N 2 2 230.271 0.756 20 0 BCADLP C[NH+](C)CCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422743141 387688817 /nfs/dbraw/zinc/68/88/17/387688817.db2.gz HZRHXBWSIYJMEF-QWHCGFSZSA-N 3 2 241.379 0.295 20 0 BCADLP CC[C@@H]1C[C@@H]([NH2+]CC[N@H+](CC)CCO)CCO1 ZINC000648524217 387742707 /nfs/dbraw/zinc/74/27/07/387742707.db2.gz WPKSYKYFHGEGTQ-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP CC[C@@H]1C[C@@H]([NH2+]CC[N@@H+](CC)CCO)CCO1 ZINC000648524217 387742712 /nfs/dbraw/zinc/74/27/12/387742712.db2.gz WPKSYKYFHGEGTQ-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP CCn1c[nH+]cc1C[NH2+][C@@H]1CCCN(C)C1=O ZINC000527764080 387700236 /nfs/dbraw/zinc/70/02/36/387700236.db2.gz QELBGBVDCVVWDG-LLVKDONJSA-N 2 2 236.319 0.613 20 0 BCADLP C[NH+](C)[C@]1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CCSC1 ZINC000422828083 387722718 /nfs/dbraw/zinc/72/27/18/387722718.db2.gz SSDFZLGQSLSLBZ-SRVKXCTJSA-N 3 2 243.420 0.893 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)[C@@H]1CCC[NH2+]1 ZINC000422833129 387725685 /nfs/dbraw/zinc/72/56/85/387725685.db2.gz YLZVFYAZWRVZDY-OUAUKWLOSA-N 2 2 225.336 0.337 20 0 BCADLP CO[C@@H](C)[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313272849 387737670 /nfs/dbraw/zinc/73/76/70/387737670.db2.gz RRSWRBMLZGOHON-UWVGGRQHSA-N 2 2 211.309 0.976 20 0 BCADLP C1CC1[C@H]([NH2+][C@@H]1CCCOC1)[C@@H]1C[NH2+]CCO1 ZINC000422858191 387742157 /nfs/dbraw/zinc/74/21/57/387742157.db2.gz HZJMTCUKTLYTIL-AGIUHOORSA-N 2 2 240.347 0.522 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000422889761 387762449 /nfs/dbraw/zinc/76/24/49/387762449.db2.gz QNANXEQWYFAIFJ-QWHCGFSZSA-N 3 2 243.395 0.814 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000422889761 387762454 /nfs/dbraw/zinc/76/24/54/387762454.db2.gz QNANXEQWYFAIFJ-QWHCGFSZSA-N 3 2 243.395 0.814 20 0 BCADLP CC[C@H](O)CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422892149 387763768 /nfs/dbraw/zinc/76/37/68/387763768.db2.gz MJKSFDQDJVRLBI-RWMBFGLXSA-N 2 2 242.363 0.504 20 0 BCADLP C1CC1[C@H]([NH2+][C@@H]1CCSC1)[C@@H]1C[NH2+]CCO1 ZINC000422917642 387773827 /nfs/dbraw/zinc/77/38/27/387773827.db2.gz FJCKWOURBAATRW-WOPDTQHZSA-N 2 2 242.388 0.849 20 0 BCADLP C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422916870 387774263 /nfs/dbraw/zinc/77/42/63/387774263.db2.gz BTEKEDZEIRUYOI-SCVCMEIPSA-N 2 2 237.347 0.480 20 0 BCADLP CC(C)N1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1=O ZINC000422920449 387775090 /nfs/dbraw/zinc/77/50/90/387775090.db2.gz MBAVMDVMCYXQJV-IJLUTSLNSA-N 2 2 239.363 0.583 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CCCCn1cc[nH+]c1 ZINC000309448455 387779229 /nfs/dbraw/zinc/77/92/29/387779229.db2.gz LYCFEDAKHQSGSS-JTQLQIEISA-N 2 2 224.308 0.517 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCC2CC(O)C2)C1 ZINC000432369214 387785867 /nfs/dbraw/zinc/78/58/67/387785867.db2.gz UPNJWFURTZZUQD-OTTFEQOBSA-N 2 2 242.363 0.458 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCC2CC(O)C2)C1 ZINC000432369214 387785870 /nfs/dbraw/zinc/78/58/70/387785870.db2.gz UPNJWFURTZZUQD-OTTFEQOBSA-N 2 2 242.363 0.458 20 0 BCADLP CC[C@](C)(O)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422983188 387793257 /nfs/dbraw/zinc/79/32/57/387793257.db2.gz YVBRSQPCXYJOSY-AVGNSLFASA-N 2 2 242.363 0.504 20 0 BCADLP CC(C)N1CC[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1=O ZINC000422982502 387793796 /nfs/dbraw/zinc/79/37/96/387793796.db2.gz QXLBJYISHKPVAM-WOPDTQHZSA-N 2 2 239.363 0.726 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H](O)COCC1CC1 ZINC000422973453 387821736 /nfs/dbraw/zinc/82/17/36/387821736.db2.gz OSIQSKKUHCNTKN-KGYLQXTDSA-N 2 2 242.363 0.362 20 0 BCADLP COC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000643537411 387874873 /nfs/dbraw/zinc/87/48/73/387874873.db2.gz HIYMUILLMQMQPF-GARJFASQSA-N 2 2 216.300 0.701 20 0 BCADLP COC[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000433007115 387849136 /nfs/dbraw/zinc/84/91/36/387849136.db2.gz UERBQPUEXUQILZ-STQMWFEESA-N 2 2 242.363 0.864 20 0 BCADLP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000433009476 387849164 /nfs/dbraw/zinc/84/91/64/387849164.db2.gz UFPRKXXNBBGGSG-YFKTTZPYSA-N 2 2 240.347 0.868 20 0 BCADLP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000433009476 387849166 /nfs/dbraw/zinc/84/91/66/387849166.db2.gz UFPRKXXNBBGGSG-YFKTTZPYSA-N 2 2 240.347 0.868 20 0 BCADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC000423043531 387856081 /nfs/dbraw/zinc/85/60/81/387856081.db2.gz OXSOPYUZMUGVPJ-NWDGAFQWSA-N 2 2 239.363 0.762 20 0 BCADLP CCn1cccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c1=O ZINC000433052306 387856646 /nfs/dbraw/zinc/85/66/46/387856646.db2.gz KVULBHSTPYMCRS-AAEUAGOBSA-N 2 2 249.358 0.908 20 0 BCADLP CCn1cccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c1=O ZINC000433052306 387856652 /nfs/dbraw/zinc/85/66/52/387856652.db2.gz KVULBHSTPYMCRS-AAEUAGOBSA-N 2 2 249.358 0.908 20 0 BCADLP Cn1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cn1 ZINC000193611538 387857836 /nfs/dbraw/zinc/85/78/36/387857836.db2.gz JYGWKJJXGNYARW-TXEJJXNPSA-N 2 2 220.320 0.414 20 0 BCADLP Cn1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cn1 ZINC000193611538 387857841 /nfs/dbraw/zinc/85/78/41/387857841.db2.gz JYGWKJJXGNYARW-TXEJJXNPSA-N 2 2 220.320 0.414 20 0 BCADLP Cn1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cn1 ZINC000193611538 387857843 /nfs/dbraw/zinc/85/78/43/387857843.db2.gz JYGWKJJXGNYARW-TXEJJXNPSA-N 2 2 220.320 0.414 20 0 BCADLP Cn1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cn1 ZINC000193611538 387857846 /nfs/dbraw/zinc/85/78/46/387857846.db2.gz JYGWKJJXGNYARW-TXEJJXNPSA-N 2 2 220.320 0.414 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193604810 387858349 /nfs/dbraw/zinc/85/83/49/387858349.db2.gz HJEHMVFKYYEWKV-SDDRHHMPSA-N 2 2 239.363 0.395 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193604810 387858353 /nfs/dbraw/zinc/85/83/53/387858353.db2.gz HJEHMVFKYYEWKV-SDDRHHMPSA-N 2 2 239.363 0.395 20 0 BCADLP CC[C@H](C)NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193604810 387858357 /nfs/dbraw/zinc/85/83/57/387858357.db2.gz HJEHMVFKYYEWKV-SDDRHHMPSA-N 2 2 239.363 0.395 20 0 BCADLP CC[C@H](C)NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193604810 387858361 /nfs/dbraw/zinc/85/83/61/387858361.db2.gz HJEHMVFKYYEWKV-SDDRHHMPSA-N 2 2 239.363 0.395 20 0 BCADLP COC[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)OC ZINC000423051119 387860305 /nfs/dbraw/zinc/86/03/05/387860305.db2.gz ZWBUMPPAGSVXSY-GARJFASQSA-N 2 2 216.325 0.235 20 0 BCADLP C[N@H+]1C[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@@H]2C1 ZINC000193651447 387860360 /nfs/dbraw/zinc/86/03/60/387860360.db2.gz YIJYLPMHDJXVBA-PHIMTYICSA-N 2 2 239.363 0.395 20 0 BCADLP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@@H]2C1 ZINC000193651447 387860366 /nfs/dbraw/zinc/86/03/66/387860366.db2.gz YIJYLPMHDJXVBA-PHIMTYICSA-N 2 2 239.363 0.395 20 0 BCADLP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]2C1 ZINC000193651447 387860369 /nfs/dbraw/zinc/86/03/69/387860369.db2.gz YIJYLPMHDJXVBA-PHIMTYICSA-N 2 2 239.363 0.395 20 0 BCADLP C[NH+]1C[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]2C1 ZINC000193651447 387860372 /nfs/dbraw/zinc/86/03/72/387860372.db2.gz YIJYLPMHDJXVBA-PHIMTYICSA-N 2 2 239.363 0.395 20 0 BCADLP C[C@@H]([NH3+])CC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424172276 387864195 /nfs/dbraw/zinc/86/41/95/387864195.db2.gz LLWKTJRRKZJYEN-HTQZYQBOSA-N 2 2 235.278 0.085 20 0 BCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000424171534 387864415 /nfs/dbraw/zinc/86/44/15/387864415.db2.gz MBEFBLJUSTYHEV-GARJFASQSA-N 2 2 246.314 0.124 20 0 BCADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CCC1 ZINC000423057674 387864838 /nfs/dbraw/zinc/86/48/38/387864838.db2.gz HVQDPAMVTMEUKK-WDEREUQCSA-N 3 2 211.353 0.940 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000423067108 387869003 /nfs/dbraw/zinc/86/90/03/387869003.db2.gz GJIOUQWIQSFBDN-KXNHARMFSA-N 2 2 230.352 0.766 20 0 BCADLP CC(C)C(=O)NC1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000442654927 387813696 /nfs/dbraw/zinc/81/36/96/387813696.db2.gz BRCSWABQIZVVAS-JTQLQIEISA-N 2 2 227.352 0.570 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000442656084 387814538 /nfs/dbraw/zinc/81/45/38/387814538.db2.gz DLVYBSPEKWZWSI-VXGBXAGGSA-N 2 2 249.362 0.724 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000442656084 387814541 /nfs/dbraw/zinc/81/45/41/387814541.db2.gz DLVYBSPEKWZWSI-VXGBXAGGSA-N 2 2 249.362 0.724 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000442666495 387819311 /nfs/dbraw/zinc/81/93/11/387819311.db2.gz VCOGAQWOAUSVFS-LLVKDONJSA-N 2 2 235.331 0.711 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000442666495 387819317 /nfs/dbraw/zinc/81/93/17/387819317.db2.gz VCOGAQWOAUSVFS-LLVKDONJSA-N 2 2 235.331 0.711 20 0 BCADLP [NH3+]CCCC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424182571 387897174 /nfs/dbraw/zinc/89/71/74/387897174.db2.gz ZRWJUQAITURJLA-QMMMGPOBSA-N 2 2 235.278 0.086 20 0 BCADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538400 387876167 /nfs/dbraw/zinc/87/61/67/387876167.db2.gz JIXYQSHESIDSTG-BJDJZHNGSA-N 3 2 229.343 0.794 20 0 BCADLP COC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000423089369 387879850 /nfs/dbraw/zinc/87/98/50/387879850.db2.gz UYSFTHRGUUZOJY-NDBYEHHHSA-N 2 2 242.363 0.911 20 0 BCADLP CC[C@H]1C[N@H+](CCN[C@@H]2CC[NH2+]C2)CCO1 ZINC000423091152 387882749 /nfs/dbraw/zinc/88/27/49/387882749.db2.gz WVFYNNZUIGZXCN-NEPJUHHUSA-N 2 2 227.352 0.049 20 0 BCADLP CC[C@H]1C[N@@H+](CCN[C@@H]2CC[NH2+]C2)CCO1 ZINC000423091152 387882751 /nfs/dbraw/zinc/88/27/51/387882751.db2.gz WVFYNNZUIGZXCN-NEPJUHHUSA-N 2 2 227.352 0.049 20 0 BCADLP CC[C@H]1CN(CC[NH2+][C@@H]2CC[NH2+]C2)CCO1 ZINC000423091152 387882752 /nfs/dbraw/zinc/88/27/52/387882752.db2.gz WVFYNNZUIGZXCN-NEPJUHHUSA-N 2 2 227.352 0.049 20 0 BCADLP C[C@@H]([NH2+]C[C@@H](O)C(F)F)[C@H]1CCCC[NH2+]1 ZINC000423096604 387887716 /nfs/dbraw/zinc/88/77/16/387887716.db2.gz PORWTDXRAVNKRV-IWSPIJDZSA-N 2 2 222.279 0.733 20 0 BCADLP CC[C@H](C[NH2+][C@H]1C[NH2+]CC[C@@H]1C)OC ZINC000423140561 387918086 /nfs/dbraw/zinc/91/80/86/387918086.db2.gz MRKKSEJUSCQLOD-AXFHLTTASA-N 2 2 200.326 0.999 20 0 BCADLP C1CC1[C@H]([NH2+][C@H]1CCCOC1)[C@H]1C[NH2+]CCO1 ZINC000423121065 387900183 /nfs/dbraw/zinc/90/01/83/387900183.db2.gz HZJMTCUKTLYTIL-XQQFMLRXSA-N 2 2 240.347 0.522 20 0 BCADLP CC[C@@H]([NH2+][C@@H](C)C(=O)NC)[C@@H]1CCCC[NH2+]1 ZINC000423133649 387911572 /nfs/dbraw/zinc/91/15/72/387911572.db2.gz QWJCFTFTFCQPLJ-AXFHLTTASA-N 2 2 227.352 0.631 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)C1CC1 ZINC000423134465 387911600 /nfs/dbraw/zinc/91/16/00/387911600.db2.gz MAXLZJSWJFTYJH-YUSALJHKSA-N 2 2 212.337 0.999 20 0 BCADLP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@H]1CC[NH2+]C1)C2 ZINC000237884150 387927952 /nfs/dbraw/zinc/92/79/52/387927952.db2.gz HWMPVOMVPBMDKW-WDEREUQCSA-N 2 2 248.330 0.232 20 0 BCADLP CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423158359 387938420 /nfs/dbraw/zinc/93/84/20/387938420.db2.gz WNELNRXFPQTCRA-FDYHWXHSSA-N 2 2 242.363 0.911 20 0 BCADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)C(=O)NC ZINC000423161822 387943507 /nfs/dbraw/zinc/94/35/07/387943507.db2.gz JTDAAVOKOAOJCR-GUBZILKMSA-N 2 2 213.325 0.099 20 0 BCADLP CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000245459890 387947588 /nfs/dbraw/zinc/94/75/88/387947588.db2.gz VOIVXQOSEXHDAD-WDEREUQCSA-N 2 2 228.336 0.822 20 0 BCADLP CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000245459890 387947592 /nfs/dbraw/zinc/94/75/92/387947592.db2.gz VOIVXQOSEXHDAD-WDEREUQCSA-N 2 2 228.336 0.822 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245443751 387950681 /nfs/dbraw/zinc/95/06/81/387950681.db2.gz JCCDXSBWJWATPO-NEPJUHHUSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245443751 387950684 /nfs/dbraw/zinc/95/06/84/387950684.db2.gz JCCDXSBWJWATPO-NEPJUHHUSA-N 2 2 239.363 0.668 20 0 BCADLP Cc1occc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000321197016 387958315 /nfs/dbraw/zinc/95/83/15/387958315.db2.gz GVBMFDIWCHKYEW-GFCCVEGCSA-N 2 2 226.320 0.990 20 0 BCADLP COC(=O)CC1CC([NH2+]C[C@@H](C)[NH+](C)C)C1 ZINC000424315634 387968030 /nfs/dbraw/zinc/96/80/30/387968030.db2.gz PQBDDKBMVJFIQD-KPPDAEKUSA-N 2 2 228.336 0.868 20 0 BCADLP C[C@H]([NH3+])C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424295889 387956741 /nfs/dbraw/zinc/95/67/41/387956741.db2.gz RNXVGWZJMDFPCX-JTQLQIEISA-N 3 2 249.362 0.470 20 0 BCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC000424330455 387974672 /nfs/dbraw/zinc/97/46/72/387974672.db2.gz IAZCARXNQSFQMJ-VXGBXAGGSA-N 2 2 239.363 0.905 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000424330384 387975251 /nfs/dbraw/zinc/97/52/51/387975251.db2.gz HTOAPASTLJTOKV-NXEZZACHSA-N 2 2 209.297 0.262 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000424330384 387975254 /nfs/dbraw/zinc/97/52/54/387975254.db2.gz HTOAPASTLJTOKV-NXEZZACHSA-N 2 2 209.297 0.262 20 0 BCADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423192617 387977393 /nfs/dbraw/zinc/97/73/93/387977393.db2.gz PVKGBIJJVHFCRU-GRYCIOLGSA-N 3 2 211.353 0.716 20 0 BCADLP Cn1cc(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)nn1 ZINC000424363654 387989589 /nfs/dbraw/zinc/98/95/89/387989589.db2.gz BVJYGSBGDGOMKU-QMMMGPOBSA-N 2 2 245.277 0.150 20 0 BCADLP CCN(CC)C(=O)C[C@H](C)[NH2+]CC[NH2+]C ZINC000423222851 388004309 /nfs/dbraw/zinc/00/43/09/388004309.db2.gz CYLZNHSYLAHTLR-JTQLQIEISA-N 2 2 215.341 0.442 20 0 BCADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423230014 388015878 /nfs/dbraw/zinc/01/58/78/388015878.db2.gz CNPRRNLUVMKDRB-QJPTWQEYSA-N 3 2 211.353 0.846 20 0 BCADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423232282 388017189 /nfs/dbraw/zinc/01/71/89/388017189.db2.gz IBIWTWUUVBEEBD-WOPDTQHZSA-N 3 2 211.353 0.716 20 0 BCADLP CC[NH+](CC)CC[NH2+][C@@H](C)CC(N)=O ZINC000066147760 388022748 /nfs/dbraw/zinc/02/27/48/388022748.db2.gz OUXBSGGPZNESTI-VIFPVBQESA-N 2 2 201.314 0.182 20 0 BCADLP C=Cn1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cn1 ZINC000446755949 388037151 /nfs/dbraw/zinc/03/71/51/388037151.db2.gz AVNRCNCSFXMKPW-GFCCVEGCSA-N 2 2 236.319 0.140 20 0 BCADLP C=Cn1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cn1 ZINC000446755949 388037156 /nfs/dbraw/zinc/03/71/56/388037156.db2.gz AVNRCNCSFXMKPW-GFCCVEGCSA-N 2 2 236.319 0.140 20 0 BCADLP COCCN1CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)C1 ZINC000423257923 388037971 /nfs/dbraw/zinc/03/79/71/388037971.db2.gz ASNHBGLNSFKRTQ-STQMWFEESA-N 2 2 243.395 0.670 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423258241 388038977 /nfs/dbraw/zinc/03/89/77/388038977.db2.gz LVIMEVUCVWIXEX-AGIUHOORSA-N 3 2 225.380 0.916 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423258241 388038979 /nfs/dbraw/zinc/03/89/79/388038979.db2.gz LVIMEVUCVWIXEX-AGIUHOORSA-N 3 2 225.380 0.916 20 0 BCADLP COC[C@H]([NH2+]C[C@H](C)[NH+](C)C)C1CCOCC1 ZINC000446822510 388040661 /nfs/dbraw/zinc/04/06/61/388040661.db2.gz XESVUEYRQNIFAW-AAEUAGOBSA-N 2 2 244.379 0.968 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CCSC[C@@H]1CCO ZINC000261527724 135151750 /nfs/dbraw/zinc/15/17/50/135151750.db2.gz GJDPSMHWXPPXEM-BDAKNGLRSA-N 2 2 204.339 0.133 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CCSC[C@@H]1CCO ZINC000261527724 135151752 /nfs/dbraw/zinc/15/17/52/135151752.db2.gz GJDPSMHWXPPXEM-BDAKNGLRSA-N 2 2 204.339 0.133 20 0 BCADLP C[NH2+]CC[NH2+][C@H](Cn1cccn1)C(C)C ZINC000423245945 388028992 /nfs/dbraw/zinc/02/89/92/388028992.db2.gz MSRBXBFGPSIUKF-LLVKDONJSA-N 2 2 210.325 0.717 20 0 BCADLP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423274573 388055524 /nfs/dbraw/zinc/05/55/24/388055524.db2.gz MBOQGGIPACBTMR-UTUOFQBUSA-N 3 2 213.369 0.962 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1COCC1(C)C ZINC000453355318 388056649 /nfs/dbraw/zinc/05/66/49/388056649.db2.gz IIUGKMQSKXHXSK-GMTAPVOTSA-N 2 2 212.337 0.951 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1COCC1(C)C ZINC000453355318 388056654 /nfs/dbraw/zinc/05/66/54/388056654.db2.gz IIUGKMQSKXHXSK-GMTAPVOTSA-N 2 2 212.337 0.951 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@]2(C)CCC(=O)N2)C1 ZINC000453405148 388075157 /nfs/dbraw/zinc/07/51/57/388075157.db2.gz DXYVKVOCVSIXGW-DMDPSCGWSA-N 2 2 239.363 0.585 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@]2(C)CCC(=O)N2)C1 ZINC000453405148 388075160 /nfs/dbraw/zinc/07/51/60/388075160.db2.gz DXYVKVOCVSIXGW-DMDPSCGWSA-N 2 2 239.363 0.585 20 0 BCADLP Cn1cccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000084224867 388075745 /nfs/dbraw/zinc/07/57/45/388075745.db2.gz LYMSDGURTDUHSM-ZIAGYGMSSA-N 2 2 249.358 0.978 20 0 BCADLP Cn1cccc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000084224867 388075748 /nfs/dbraw/zinc/07/57/48/388075748.db2.gz LYMSDGURTDUHSM-ZIAGYGMSSA-N 2 2 249.358 0.978 20 0 BCADLP C[C@H](CCCO)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336658343 388077348 /nfs/dbraw/zinc/07/73/48/388077348.db2.gz QDWILYOYIVCKMX-GMTAPVOTSA-N 2 2 200.326 0.687 20 0 BCADLP C[C@H](CCCO)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336658343 388077352 /nfs/dbraw/zinc/07/73/52/388077352.db2.gz QDWILYOYIVCKMX-GMTAPVOTSA-N 2 2 200.326 0.687 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000447601707 388080779 /nfs/dbraw/zinc/08/07/79/388080779.db2.gz QUVVUZDEBHDREV-PWSUYJOCSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000447601707 388080781 /nfs/dbraw/zinc/08/07/81/388080781.db2.gz QUVVUZDEBHDREV-PWSUYJOCSA-N 2 2 239.363 0.857 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cncn2C)C1 ZINC000085170748 388084390 /nfs/dbraw/zinc/08/43/90/388084390.db2.gz FYCURJQDJAFMDK-NSHDSACASA-N 2 2 222.336 0.852 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cncn2C)C1 ZINC000085170748 388084391 /nfs/dbraw/zinc/08/43/91/388084391.db2.gz FYCURJQDJAFMDK-NSHDSACASA-N 2 2 222.336 0.852 20 0 BCADLP C[NH2+]C[C@@H]1CCCN(Cc2c[nH+]cn2C)C1 ZINC000085170748 388084393 /nfs/dbraw/zinc/08/43/93/388084393.db2.gz FYCURJQDJAFMDK-NSHDSACASA-N 2 2 222.336 0.852 20 0 BCADLP C[N@H+](CC(=O)N1CCCC1)CC(C)(C)C[NH3+] ZINC000086638186 388105928 /nfs/dbraw/zinc/10/59/28/388105928.db2.gz DVPSWAJPDJJICR-UHFFFAOYSA-N 2 2 227.352 0.526 20 0 BCADLP C[N@@H+](CC(=O)N1CCCC1)CC(C)(C)C[NH3+] ZINC000086638186 388105930 /nfs/dbraw/zinc/10/59/30/388105930.db2.gz DVPSWAJPDJJICR-UHFFFAOYSA-N 2 2 227.352 0.526 20 0 BCADLP CO[C@@H]1COC[C@@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000645927893 388157450 /nfs/dbraw/zinc/15/74/50/388157450.db2.gz DEVHRSFPQYAWQI-QWHCGFSZSA-N 2 2 236.315 0.936 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000449247064 388159958 /nfs/dbraw/zinc/15/99/58/388159958.db2.gz DUVIKHBHBXSOMW-QJPTWQEYSA-N 2 2 230.352 0.456 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000449247064 388159960 /nfs/dbraw/zinc/15/99/60/388159960.db2.gz DUVIKHBHBXSOMW-QJPTWQEYSA-N 2 2 230.352 0.456 20 0 BCADLP CC[C@@H](CO)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000163996360 388122536 /nfs/dbraw/zinc/12/25/36/388122536.db2.gz ZENHJIDROXTYSW-VWYCJHECSA-N 2 2 212.337 0.972 20 0 BCADLP CC[C@@H](CO)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000163996360 388122538 /nfs/dbraw/zinc/12/25/38/388122538.db2.gz ZENHJIDROXTYSW-VWYCJHECSA-N 2 2 212.337 0.972 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000646046056 388131639 /nfs/dbraw/zinc/13/16/39/388131639.db2.gz CACRFWLIWFASFR-ZJUUUORDSA-N 2 2 222.292 0.414 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000646046056 388131641 /nfs/dbraw/zinc/13/16/41/388131641.db2.gz CACRFWLIWFASFR-ZJUUUORDSA-N 2 2 222.292 0.414 20 0 BCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000646046055 388131928 /nfs/dbraw/zinc/13/19/28/388131928.db2.gz CACRFWLIWFASFR-VHSXEESVSA-N 2 2 222.292 0.414 20 0 BCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000646046055 388131930 /nfs/dbraw/zinc/13/19/30/388131930.db2.gz CACRFWLIWFASFR-VHSXEESVSA-N 2 2 222.292 0.414 20 0 BCADLP Cc1nocc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000646105213 388143987 /nfs/dbraw/zinc/14/39/87/388143987.db2.gz MRJCLINQSAMRJI-AOOOYVTPSA-N 2 2 207.277 0.634 20 0 BCADLP Cc1nocc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000646105213 388143990 /nfs/dbraw/zinc/14/39/90/388143990.db2.gz MRJCLINQSAMRJI-AOOOYVTPSA-N 2 2 207.277 0.634 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000165490002 388253102 /nfs/dbraw/zinc/25/31/02/388253102.db2.gz VVRDXWPFDRHNCS-HTQZYQBOSA-N 2 2 210.281 0.351 20 0 BCADLP COC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449389183 388192266 /nfs/dbraw/zinc/19/22/66/388192266.db2.gz RPOPHVNFOFBDQG-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP COC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449389183 388192267 /nfs/dbraw/zinc/19/22/67/388192267.db2.gz RPOPHVNFOFBDQG-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP COC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449389186 388192371 /nfs/dbraw/zinc/19/23/71/388192371.db2.gz RPOPHVNFOFBDQG-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP COC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449389186 388192373 /nfs/dbraw/zinc/19/23/73/388192373.db2.gz RPOPHVNFOFBDQG-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP CCOC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449396571 388194297 /nfs/dbraw/zinc/19/42/97/388194297.db2.gz SHNPKRRKSKPSOX-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP CCOC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449396571 388194299 /nfs/dbraw/zinc/19/42/99/388194299.db2.gz SHNPKRRKSKPSOX-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000449462758 388211942 /nfs/dbraw/zinc/21/19/42/388211942.db2.gz VQXUCBWIQBRIQF-UMSGYPCISA-N 2 2 242.363 0.578 20 0 BCADLP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000449462758 388211943 /nfs/dbraw/zinc/21/19/43/388211943.db2.gz VQXUCBWIQBRIQF-UMSGYPCISA-N 2 2 242.363 0.578 20 0 BCADLP CCN1C[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1=O ZINC000449517158 388222128 /nfs/dbraw/zinc/22/21/28/388222128.db2.gz JAFLQYNEXICIGY-HBNTYKKESA-N 2 2 225.336 0.147 20 0 BCADLP CCN1C[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1=O ZINC000449517158 388222129 /nfs/dbraw/zinc/22/21/29/388222129.db2.gz JAFLQYNEXICIGY-HBNTYKKESA-N 2 2 225.336 0.147 20 0 BCADLP Cc1nc(N(C)CC[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000490075003 388233498 /nfs/dbraw/zinc/23/34/98/388233498.db2.gz WJSHBUFEDJVYLL-UHFFFAOYSA-N 2 2 238.339 0.244 20 0 BCADLP C[C@H]1C[C@@H](CNCC(F)(F)C[NH3+])CC[NH2+]1 ZINC000414927026 256629345 /nfs/dbraw/zinc/62/93/45/256629345.db2.gz KQFXAOMHXMETSI-IUCAKERBSA-N 2 2 221.295 0.558 20 0 BCADLP C[N@H+](CC1(CS(C)(=O)=O)CC1)C1CC([NH3+])C1 ZINC000516571320 388349965 /nfs/dbraw/zinc/34/99/65/388349965.db2.gz SPSKFMLVYULCFF-UHFFFAOYSA-N 2 2 246.376 0.233 20 0 BCADLP C[N@@H+](CC1(CS(C)(=O)=O)CC1)C1CC([NH3+])C1 ZINC000516571320 388349966 /nfs/dbraw/zinc/34/99/66/388349966.db2.gz SPSKFMLVYULCFF-UHFFFAOYSA-N 2 2 246.376 0.233 20 0 BCADLP C[C@H]([NH3+])CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000572612127 388361063 /nfs/dbraw/zinc/36/10/63/388361063.db2.gz QEWVJZZWMSFHQU-UWVGGRQHSA-N 2 2 224.308 0.688 20 0 BCADLP COc1c(N)[nH+]cnc1N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000572900041 388386671 /nfs/dbraw/zinc/38/66/71/388386671.db2.gz SSGKZXXBWDCMIA-DTWKUNHWSA-N 2 2 249.318 0.208 20 0 BCADLP CC[N@H+](CC[NH3+])Cc1ccc(C(N)=O)cc1 ZINC000300807678 388396306 /nfs/dbraw/zinc/39/63/06/388396306.db2.gz KGNVOKYAIQOAQJ-UHFFFAOYSA-N 2 2 221.304 0.566 20 0 BCADLP CC[N@@H+](CC[NH3+])Cc1ccc(C(N)=O)cc1 ZINC000300807678 388396307 /nfs/dbraw/zinc/39/63/07/388396307.db2.gz KGNVOKYAIQOAQJ-UHFFFAOYSA-N 2 2 221.304 0.566 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)[C@@H](C)[NH+]2CC(C)C2)C1 ZINC000572973071 388401309 /nfs/dbraw/zinc/40/13/09/388401309.db2.gz MEEYXYDSNFZRBJ-LLVKDONJSA-N 2 2 239.363 0.535 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@H]2CCCC[NH2+]2)c[nH+]1 ZINC000646651342 388402866 /nfs/dbraw/zinc/40/28/66/388402866.db2.gz XNVQUTSCQAUXGL-SECBINFHSA-N 2 2 222.292 0.590 20 0 BCADLP CC[C@@H](CO)[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000308592799 388444351 /nfs/dbraw/zinc/44/43/51/388444351.db2.gz LBFFIVSYKJVSBC-GARJFASQSA-N 2 2 200.326 0.687 20 0 BCADLP CC[C@@H](CO)[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000308592799 388444354 /nfs/dbraw/zinc/44/43/54/388444354.db2.gz LBFFIVSYKJVSBC-GARJFASQSA-N 2 2 200.326 0.687 20 0 BCADLP CC[C@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)C(C)(C)O ZINC000394016396 388449373 /nfs/dbraw/zinc/44/93/73/388449373.db2.gz BGKJEPFOYQKTBE-TUAOUCFPSA-N 2 2 244.379 0.893 20 0 BCADLP Cc1n[nH]cc1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000335354842 388450252 /nfs/dbraw/zinc/45/02/52/388450252.db2.gz AWGZJCNWXMAPHV-ONGXEEELSA-N 2 2 208.309 0.948 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@H]([NH3+])C1CCC1 ZINC000335537705 388451360 /nfs/dbraw/zinc/45/13/60/388451360.db2.gz AGEVILHTYIXIDP-LLVKDONJSA-N 2 2 219.288 0.878 20 0 BCADLP [NH3+]C[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000336268326 388456254 /nfs/dbraw/zinc/45/62/54/388456254.db2.gz UUDYIBVLHHKFPR-RYUDHWBXSA-N 3 2 211.353 0.657 20 0 BCADLP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000336268326 388456255 /nfs/dbraw/zinc/45/62/55/388456255.db2.gz UUDYIBVLHHKFPR-RYUDHWBXSA-N 3 2 211.353 0.657 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(C)C2)C[N@@H+]1C1CC1 ZINC000336669709 388461801 /nfs/dbraw/zinc/46/18/01/388461801.db2.gz APEPACRCMPSPCN-VWYCJHECSA-N 2 2 237.347 0.432 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(C)C2)C[N@H+]1C1CC1 ZINC000336669709 388461804 /nfs/dbraw/zinc/46/18/04/388461804.db2.gz APEPACRCMPSPCN-VWYCJHECSA-N 2 2 237.347 0.432 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C[C@H]1CCCO1)C1CC1 ZINC000336710895 388466311 /nfs/dbraw/zinc/46/63/11/388466311.db2.gz NEFYMJSSROXION-QWHCGFSZSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+](C)C[C@H]1CCCO1)C1CC1 ZINC000336710895 388466314 /nfs/dbraw/zinc/46/63/14/388466314.db2.gz NEFYMJSSROXION-QWHCGFSZSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C[C@H]1CCCO1 ZINC000336710895 388466315 /nfs/dbraw/zinc/46/63/15/388466315.db2.gz NEFYMJSSROXION-QWHCGFSZSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C[C@H]1CCCO1 ZINC000336710895 388466316 /nfs/dbraw/zinc/46/63/16/388466316.db2.gz NEFYMJSSROXION-QWHCGFSZSA-N 2 2 242.363 0.552 20 0 BCADLP [NH3+][C@H](CC(F)F)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000336710144 388466352 /nfs/dbraw/zinc/46/63/52/388466352.db2.gz MYYRJBHRAQMLEF-SECBINFHSA-N 2 2 247.289 0.276 20 0 BCADLP COCC[N@@H+]1CC[C@H](NC[C@H](C)[NH+](C)C)C1 ZINC000309918930 388469101 /nfs/dbraw/zinc/46/91/01/388469101.db2.gz QXLBLIAJTZDTJE-RYUDHWBXSA-N 2 2 229.368 0.247 20 0 BCADLP COCC[N@H+]1CC[C@H](NC[C@H](C)[NH+](C)C)C1 ZINC000309918930 388469106 /nfs/dbraw/zinc/46/91/06/388469106.db2.gz QXLBLIAJTZDTJE-RYUDHWBXSA-N 2 2 229.368 0.247 20 0 BCADLP COCCN1CC[C@H]([NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000309918930 388469112 /nfs/dbraw/zinc/46/91/12/388469112.db2.gz QXLBLIAJTZDTJE-RYUDHWBXSA-N 2 2 229.368 0.247 20 0 BCADLP C[C@H](CC(=O)NCc1[nH+]ccn1C)n1cc[nH+]c1 ZINC000573095655 388420158 /nfs/dbraw/zinc/42/01/58/388420158.db2.gz FRQNMZWGHBSLHU-SNVBAGLBSA-N 2 2 247.302 0.884 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H](O)C1CCC1 ZINC000316798942 388421324 /nfs/dbraw/zinc/42/13/24/388421324.db2.gz RUOVTJQELVEJMK-RAIGVLPGSA-N 2 2 242.363 0.504 20 0 BCADLP Cc1c[nH+]cn1CC(=O)Nc1cc[nH+]c(C)c1 ZINC000528534494 388545307 /nfs/dbraw/zinc/54/53/07/388545307.db2.gz RJBVIMLDGUBAED-UHFFFAOYSA-N 2 2 230.271 0.956 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)[NH3+] ZINC000576888137 388508929 /nfs/dbraw/zinc/50/89/29/388508929.db2.gz GUFUGPGWBKPRHJ-UHFFFAOYSA-N 2 2 225.296 0.288 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)[NH3+] ZINC000576888137 388508931 /nfs/dbraw/zinc/50/89/31/388508931.db2.gz GUFUGPGWBKPRHJ-UHFFFAOYSA-N 2 2 225.296 0.288 20 0 BCADLP c1cn2c(n1)[C@@H]([NH2+]CCn1cc[nH+]c1)CC2 ZINC000345346674 388512719 /nfs/dbraw/zinc/51/27/19/388512719.db2.gz KKWWLUDLNLYWRA-JTQLQIEISA-N 2 2 217.276 0.814 20 0 BCADLP Cn1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000548623022 388549557 /nfs/dbraw/zinc/54/95/57/388549557.db2.gz WCSPXQPYQWXHSA-SNVBAGLBSA-N 2 2 231.303 0.721 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@H]1O ZINC000351714146 388533058 /nfs/dbraw/zinc/53/30/58/388533058.db2.gz ZLZULYQMLJVEBD-WXHSDQCUSA-N 2 2 242.363 0.144 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@H]1O ZINC000351714146 388533060 /nfs/dbraw/zinc/53/30/60/388533060.db2.gz ZLZULYQMLJVEBD-WXHSDQCUSA-N 2 2 242.363 0.144 20 0 BCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@@H]1O ZINC000351714146 388533062 /nfs/dbraw/zinc/53/30/62/388533062.db2.gz ZLZULYQMLJVEBD-WXHSDQCUSA-N 2 2 242.363 0.144 20 0 BCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@@H]1O ZINC000351714146 388533065 /nfs/dbraw/zinc/53/30/65/388533065.db2.gz ZLZULYQMLJVEBD-WXHSDQCUSA-N 2 2 242.363 0.144 20 0 BCADLP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2nc3ncccn3n2)C1 ZINC000517041366 388536300 /nfs/dbraw/zinc/53/63/00/388536300.db2.gz OINMFOCEDXXPCJ-VHSXEESVSA-N 2 2 246.318 0.484 20 0 BCADLP O=C(CC[C@@H]1CCC[NH2+]1)NCCn1cc[nH+]c1 ZINC000261548101 388590727 /nfs/dbraw/zinc/59/07/27/388590727.db2.gz JCGSQKSNDAQGTK-NSHDSACASA-N 2 2 236.319 0.532 20 0 BCADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000245685458 388597381 /nfs/dbraw/zinc/59/73/81/388597381.db2.gz MVDHGBRWZCTYNS-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC000245685458 388597382 /nfs/dbraw/zinc/59/73/82/388597382.db2.gz MVDHGBRWZCTYNS-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]C1CCC(OC)CC1 ZINC000186575063 388601352 /nfs/dbraw/zinc/60/13/52/388601352.db2.gz JGCVTYRJGUHJKW-UHFFFAOYSA-N 2 2 244.379 0.848 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]C1CCC(OC)CC1 ZINC000186575063 388601355 /nfs/dbraw/zinc/60/13/55/388601355.db2.gz JGCVTYRJGUHJKW-UHFFFAOYSA-N 2 2 244.379 0.848 20 0 BCADLP COC(C)(C)C[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000379292716 388605603 /nfs/dbraw/zinc/60/56/03/388605603.db2.gz KZSHFVRDDBICEJ-SNVBAGLBSA-N 2 2 216.325 0.332 20 0 BCADLP COC(C)(C)C[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000379292716 388605606 /nfs/dbraw/zinc/60/56/06/388605606.db2.gz KZSHFVRDDBICEJ-SNVBAGLBSA-N 2 2 216.325 0.332 20 0 BCADLP Cc1cnc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000359276278 388555649 /nfs/dbraw/zinc/55/56/49/388555649.db2.gz DCFJZTDPNGPKJR-PHIMTYICSA-N 2 2 218.304 0.436 20 0 BCADLP Cc1cnc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000359276278 388555654 /nfs/dbraw/zinc/55/56/54/388555654.db2.gz DCFJZTDPNGPKJR-PHIMTYICSA-N 2 2 218.304 0.436 20 0 BCADLP C[C@@H](C(=O)NCC[NH+]1CCC1)[NH+]1CC(C)C1 ZINC000521269115 256838039 /nfs/dbraw/zinc/83/80/39/256838039.db2.gz QRCCVFVNSJUZMP-NSHDSACASA-N 2 2 225.336 0.149 20 0 BCADLP C[C@@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)Cn1cc[nH+]c1 ZINC000649302724 388585795 /nfs/dbraw/zinc/58/57/95/388585795.db2.gz KLRZOVGANSQKCS-NNYUYHANSA-N 2 2 248.330 0.101 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC)[C@H](C)C1 ZINC000125770193 388676959 /nfs/dbraw/zinc/67/69/59/388676959.db2.gz RHJAUYJBMBAXGV-GHMZBOCLSA-N 2 2 227.352 0.395 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC)[C@H](C)C1 ZINC000125770193 388676961 /nfs/dbraw/zinc/67/69/61/388676961.db2.gz RHJAUYJBMBAXGV-GHMZBOCLSA-N 2 2 227.352 0.395 20 0 BCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC)[C@H](C)C1 ZINC000125770193 388676963 /nfs/dbraw/zinc/67/69/63/388676963.db2.gz RHJAUYJBMBAXGV-GHMZBOCLSA-N 2 2 227.352 0.395 20 0 BCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC)[C@H](C)C1 ZINC000125770193 388676964 /nfs/dbraw/zinc/67/69/64/388676964.db2.gz RHJAUYJBMBAXGV-GHMZBOCLSA-N 2 2 227.352 0.395 20 0 BCADLP Cn1nccc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178437 388621168 /nfs/dbraw/zinc/62/11/68/388621168.db2.gz LDZFMWMSDAUQGY-LLVKDONJSA-N 2 2 220.320 0.794 20 0 BCADLP Cn1cc[nH+]c1CN[C@H]1CC[NH2+]C12CCC2 ZINC000530177106 388621462 /nfs/dbraw/zinc/62/14/62/388621462.db2.gz GJIUZFUUFCOHMD-JTQLQIEISA-N 2 2 220.320 0.794 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@@H]1COCC[NH2+]1 ZINC000530181718 388623193 /nfs/dbraw/zinc/62/31/93/388623193.db2.gz MTLUUIVYUIGJQF-WZRBSPASSA-N 2 2 239.363 0.047 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@@H]1COCC[NH2+]1 ZINC000530181718 388623194 /nfs/dbraw/zinc/62/31/94/388623194.db2.gz MTLUUIVYUIGJQF-WZRBSPASSA-N 2 2 239.363 0.047 20 0 BCADLP C[C@@H](NC[C@H]1COCC[NH2+]1)c1[nH+]ccn1C ZINC000530220060 388631478 /nfs/dbraw/zinc/63/14/78/388631478.db2.gz IFGMSRYASGAYSN-ZJUUUORDSA-N 2 2 224.308 0.059 20 0 BCADLP C[C@H]([NH2+][C@H]1Cc2ccccc2NC1=O)C1C[NH2+]C1 ZINC000530221359 388633204 /nfs/dbraw/zinc/63/32/04/388633204.db2.gz DRJMEPLYPJZKKE-ZANVPECISA-N 2 2 245.326 0.747 20 0 BCADLP C[C@@H](CS(C)(=O)=O)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530226310 388635843 /nfs/dbraw/zinc/63/58/43/388635843.db2.gz ZRLFVURNFSCQJY-UWVGGRQHSA-N 2 2 246.376 0.294 20 0 BCADLP CCOC[C@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000530232868 388636909 /nfs/dbraw/zinc/63/69/09/388636909.db2.gz UFPMBWCDKAJIKE-QWHCGFSZSA-N 2 2 242.363 0.723 20 0 BCADLP CCOC[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000530232868 388636910 /nfs/dbraw/zinc/63/69/10/388636910.db2.gz UFPMBWCDKAJIKE-QWHCGFSZSA-N 2 2 242.363 0.723 20 0 BCADLP C[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530244838 388638936 /nfs/dbraw/zinc/63/89/36/388638936.db2.gz QTPVRPWEAPSFJK-ZYHUDNBSSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000530244838 388638939 /nfs/dbraw/zinc/63/89/39/388638939.db2.gz QTPVRPWEAPSFJK-ZYHUDNBSSA-N 2 2 212.337 0.974 20 0 BCADLP Cc1ccc(CCC[NH2+]C[C@H]2COCCN2)c[nH+]1 ZINC000530246283 388639776 /nfs/dbraw/zinc/63/97/76/388639776.db2.gz FAFALTIKGUTAMN-AWEZNQCLSA-N 2 2 249.358 0.901 20 0 BCADLP C[N@H+](CCO)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328655166 388739622 /nfs/dbraw/zinc/73/96/22/388739622.db2.gz YCJQXCVQNNJUTL-KBPBESRZSA-N 2 2 249.358 0.999 20 0 BCADLP C[N@@H+](CCO)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328655166 388739624 /nfs/dbraw/zinc/73/96/24/388739624.db2.gz YCJQXCVQNNJUTL-KBPBESRZSA-N 2 2 249.358 0.999 20 0 BCADLP C[NH+](CCO)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328655166 388739626 /nfs/dbraw/zinc/73/96/26/388739626.db2.gz YCJQXCVQNNJUTL-KBPBESRZSA-N 2 2 249.358 0.999 20 0 BCADLP C[NH+](CCO)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328655166 388739628 /nfs/dbraw/zinc/73/96/28/388739628.db2.gz YCJQXCVQNNJUTL-KBPBESRZSA-N 2 2 249.358 0.999 20 0 BCADLP CO[C@@H](C[NH3+])C(=O)Nc1cc[nH+]c(C)c1 ZINC000227390428 388750553 /nfs/dbraw/zinc/75/05/53/388750553.db2.gz MNHSLBMSCAJJSZ-VIFPVBQESA-N 2 2 209.249 0.302 20 0 BCADLP CSCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000069718062 388725897 /nfs/dbraw/zinc/72/58/97/388725897.db2.gz FKZHQKQFQGYTPE-UHFFFAOYSA-N 2 2 228.365 0.939 20 0 BCADLP CC[C@H](O)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000229965285 388806961 /nfs/dbraw/zinc/80/69/61/388806961.db2.gz URKXJJFFWNAMCK-SCVCMEIPSA-N 2 2 212.337 0.972 20 0 BCADLP CC[C@H](O)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000229965285 388806962 /nfs/dbraw/zinc/80/69/62/388806962.db2.gz URKXJJFFWNAMCK-SCVCMEIPSA-N 2 2 212.337 0.972 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000564678261 388885133 /nfs/dbraw/zinc/88/51/33/388885133.db2.gz OKDHRVKAEGLZLX-LLVKDONJSA-N 2 2 238.335 0.778 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000565092835 388913662 /nfs/dbraw/zinc/91/36/62/388913662.db2.gz HQOBEFLFEOORPZ-NWDGAFQWSA-N 2 2 230.352 0.314 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000565092835 388913664 /nfs/dbraw/zinc/91/36/64/388913664.db2.gz HQOBEFLFEOORPZ-NWDGAFQWSA-N 2 2 230.352 0.314 20 0 BCADLP C[C@@H](C(=O)N1CC[NH+](C)CC1)[NH+]1CC(C)C1 ZINC000565313257 388936238 /nfs/dbraw/zinc/93/62/38/388936238.db2.gz OZIYOSQZPSPYFF-NSHDSACASA-N 2 2 225.336 0.101 20 0 BCADLP CC[C@H]([NH2+]Cc1c[nH+]c(C)n1C)[C@@H](C)O ZINC000565314862 388936871 /nfs/dbraw/zinc/93/68/71/388936871.db2.gz NMRYRBCEHXIWMY-KCJUWKMLSA-N 2 2 211.309 0.978 20 0 BCADLP CCC[NH+](CCC)CC(=O)N1CC[NH+](C)CC1 ZINC000153042960 388933172 /nfs/dbraw/zinc/93/31/72/388933172.db2.gz SLJDWUKLHHKUII-UHFFFAOYSA-N 2 2 241.379 0.882 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2nc(C3CC3)nn2C)C1 ZINC000564987698 388904863 /nfs/dbraw/zinc/90/48/63/388904863.db2.gz HFJFZHUIAQMVGG-KOLCDFICSA-N 2 2 249.362 0.862 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2nc(C3CC3)nn2C)C1 ZINC000564987698 388904859 /nfs/dbraw/zinc/90/48/59/388904859.db2.gz HFJFZHUIAQMVGG-KOLCDFICSA-N 2 2 249.362 0.862 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCCNC2=O)n1C ZINC000565610720 388958636 /nfs/dbraw/zinc/95/86/36/388958636.db2.gz YWISWZORJWJSPK-LLVKDONJSA-N 2 2 236.319 0.487 20 0 BCADLP C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)OC[C@H]1CCCO1 ZINC000565648156 388959575 /nfs/dbraw/zinc/95/95/75/388959575.db2.gz IJVSNZHUBLGJKE-UPJWGTAASA-N 2 2 240.347 0.476 20 0 BCADLP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)OC[C@H]1CCCO1 ZINC000565648156 388959576 /nfs/dbraw/zinc/95/95/76/388959576.db2.gz IJVSNZHUBLGJKE-UPJWGTAASA-N 2 2 240.347 0.476 20 0 BCADLP Cc1c[nH]cc1C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000565363494 388938826 /nfs/dbraw/zinc/93/88/26/388938826.db2.gz YDRZCJJAMDFNNL-SNVBAGLBSA-N 2 2 236.319 0.038 20 0 BCADLP Cc1c[nH]cc1C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000565363494 388938829 /nfs/dbraw/zinc/93/88/29/388938829.db2.gz YDRZCJJAMDFNNL-SNVBAGLBSA-N 2 2 236.319 0.038 20 0 BCADLP CO[C@@]1(C[NH2+]Cc2c[nH+]c(C)n2C)CCOC1 ZINC000565547596 388952709 /nfs/dbraw/zinc/95/27/09/388952709.db2.gz BYRZTBQRSDLVIO-GFCCVEGCSA-N 2 2 239.319 0.624 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000566088498 388986893 /nfs/dbraw/zinc/98/68/93/388986893.db2.gz VWGIKLKQWWXDEO-CMPLNLGQSA-N 3 2 211.353 0.526 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000566088498 388986894 /nfs/dbraw/zinc/98/68/94/388986894.db2.gz VWGIKLKQWWXDEO-CMPLNLGQSA-N 3 2 211.353 0.526 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000269265424 389008069 /nfs/dbraw/zinc/00/80/69/389008069.db2.gz OSJFSCHJAPCVNL-SECBINFHSA-N 2 2 224.308 0.708 20 0 BCADLP C[C@@H](CC[NH+](C)C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492823424 533568966 /nfs/dbraw/zinc/56/89/66/533568966.db2.gz NEFVIWIRZUTGCP-LWTINBJPSA-N 2 2 236.319 0.879 20 0 BCADLP Cc1cc[nH+]c(N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000274984761 132204399 /nfs/dbraw/zinc/20/43/99/132204399.db2.gz CIYSHJXVJPLBAE-LBPRGKRZSA-N 2 2 235.331 0.893 20 0 BCADLP Cc1cc[nH+]cc1N1CC[NH+](CCCO)CC1 ZINC000340599907 132222467 /nfs/dbraw/zinc/22/24/67/132222467.db2.gz UOGPLMVWMNWBDJ-UHFFFAOYSA-N 2 2 235.331 0.894 20 0 BCADLP C[N@@H+]1CCC[C@@]2(CC[NH+]([C@H]3CCNC3=O)C2)C1 ZINC000335931906 134011042 /nfs/dbraw/zinc/01/10/42/134011042.db2.gz YBDLZECEBCLTPI-WCQYABFASA-N 2 2 237.347 0.293 20 0 BCADLP C[N@H+]1CCC[C@@]2(CC[NH+]([C@H]3CCNC3=O)C2)C1 ZINC000335931906 134011043 /nfs/dbraw/zinc/01/10/43/134011043.db2.gz YBDLZECEBCLTPI-WCQYABFASA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+]1CCC[C@@]2(CC[N@@H+]([C@H]3CCNC3=O)C2)C1 ZINC000335931906 134011044 /nfs/dbraw/zinc/01/10/44/134011044.db2.gz YBDLZECEBCLTPI-WCQYABFASA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+]1CCC[C@@]2(CC[N@H+]([C@H]3CCNC3=O)C2)C1 ZINC000335931906 134011045 /nfs/dbraw/zinc/01/10/45/134011045.db2.gz YBDLZECEBCLTPI-WCQYABFASA-N 2 2 237.347 0.293 20 0 BCADLP C[N@@H+]1CCC[C@@]2(CC[NH+]([C@@H]3CCNC3=O)C2)C1 ZINC000335931905 134011061 /nfs/dbraw/zinc/01/10/61/134011061.db2.gz YBDLZECEBCLTPI-DGCLKSJQSA-N 2 2 237.347 0.293 20 0 BCADLP C[N@H+]1CCC[C@@]2(CC[NH+]([C@@H]3CCNC3=O)C2)C1 ZINC000335931905 134011062 /nfs/dbraw/zinc/01/10/62/134011062.db2.gz YBDLZECEBCLTPI-DGCLKSJQSA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+]1CCC[C@@]2(CC[N@@H+]([C@@H]3CCNC3=O)C2)C1 ZINC000335931905 134011063 /nfs/dbraw/zinc/01/10/63/134011063.db2.gz YBDLZECEBCLTPI-DGCLKSJQSA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+]1CCC[C@@]2(CC[N@H+]([C@@H]3CCNC3=O)C2)C1 ZINC000335931905 134011064 /nfs/dbraw/zinc/01/10/64/134011064.db2.gz YBDLZECEBCLTPI-DGCLKSJQSA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000336044508 134063052 /nfs/dbraw/zinc/06/30/52/134063052.db2.gz SQAXBSDSMYCRIW-SNVBAGLBSA-N 2 2 248.330 0.604 20 0 BCADLP C[C@H]1CC[N@H+](Cc2nccn2C)C[C@@H]1C[NH3+] ZINC000167658439 134153715 /nfs/dbraw/zinc/15/37/15/134153715.db2.gz MHGFBGAHTRHPMT-QWRGUYRKSA-N 2 2 222.336 0.837 20 0 BCADLP C[C@H]1CC[N@@H+](Cc2nccn2C)C[C@@H]1C[NH3+] ZINC000167658439 134153716 /nfs/dbraw/zinc/15/37/16/134153716.db2.gz MHGFBGAHTRHPMT-QWRGUYRKSA-N 2 2 222.336 0.837 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2nccn2C)C1 ZINC000168554832 134226175 /nfs/dbraw/zinc/22/61/75/134226175.db2.gz CHIYJLYQJNNKAA-VHSXEESVSA-N 2 2 208.309 0.589 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000168622578 134232485 /nfs/dbraw/zinc/23/24/85/134232485.db2.gz ZNEVYRBKBUVCLV-JQWIXIFHSA-N 2 2 239.319 0.273 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000168622578 134232486 /nfs/dbraw/zinc/23/24/86/134232486.db2.gz ZNEVYRBKBUVCLV-JQWIXIFHSA-N 2 2 239.319 0.273 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000172198465 134262341 /nfs/dbraw/zinc/26/23/41/134262341.db2.gz IYGDGIQNVZSCDA-NWDGAFQWSA-N 2 2 241.379 0.785 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000172198465 134262342 /nfs/dbraw/zinc/26/23/42/134262342.db2.gz IYGDGIQNVZSCDA-NWDGAFQWSA-N 2 2 241.379 0.785 20 0 BCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)COC ZINC000175593276 134288031 /nfs/dbraw/zinc/28/80/31/134288031.db2.gz WWRHMPPMBUACRS-AGIUHOORSA-N 2 2 242.363 0.552 20 0 BCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)COC ZINC000175593276 134288032 /nfs/dbraw/zinc/28/80/32/134288032.db2.gz WWRHMPPMBUACRS-AGIUHOORSA-N 2 2 242.363 0.552 20 0 BCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COC ZINC000175593276 134288033 /nfs/dbraw/zinc/28/80/33/134288033.db2.gz WWRHMPPMBUACRS-AGIUHOORSA-N 2 2 242.363 0.552 20 0 BCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)COC ZINC000175593276 134288034 /nfs/dbraw/zinc/28/80/34/134288034.db2.gz WWRHMPPMBUACRS-AGIUHOORSA-N 2 2 242.363 0.552 20 0 BCADLP CC[C@H](C(=O)NCCc1[nH]cc[nH+]1)[NH+](C)C ZINC000178199503 134304442 /nfs/dbraw/zinc/30/44/42/134304442.db2.gz NUSFOQDUYSQYSR-SECBINFHSA-N 2 2 224.308 0.409 20 0 BCADLP CCOC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220928114 134315153 /nfs/dbraw/zinc/31/51/53/134315153.db2.gz DYCJYHJVCSFMCY-RYUDHWBXSA-N 2 2 240.347 0.966 20 0 BCADLP CCOC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220928114 134315154 /nfs/dbraw/zinc/31/51/54/134315154.db2.gz DYCJYHJVCSFMCY-RYUDHWBXSA-N 2 2 240.347 0.966 20 0 BCADLP CCOC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220928114 134315155 /nfs/dbraw/zinc/31/51/55/134315155.db2.gz DYCJYHJVCSFMCY-RYUDHWBXSA-N 2 2 240.347 0.966 20 0 BCADLP CCOC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220928114 134315156 /nfs/dbraw/zinc/31/51/56/134315156.db2.gz DYCJYHJVCSFMCY-RYUDHWBXSA-N 2 2 240.347 0.966 20 0 BCADLP CCC[N@H+](CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000180473065 134327697 /nfs/dbraw/zinc/32/76/97/134327697.db2.gz OUDLQEGEOJTVBM-UHFFFAOYSA-N 2 2 239.363 0.635 20 0 BCADLP CCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000180473065 134327698 /nfs/dbraw/zinc/32/76/98/134327698.db2.gz OUDLQEGEOJTVBM-UHFFFAOYSA-N 2 2 239.363 0.635 20 0 BCADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC1CC1 ZINC000180491230 134328863 /nfs/dbraw/zinc/32/88/63/134328863.db2.gz NIDWFKKRPPLORY-UHFFFAOYSA-N 2 2 239.363 0.492 20 0 BCADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)CC1CC1 ZINC000180491230 134328864 /nfs/dbraw/zinc/32/88/64/134328864.db2.gz NIDWFKKRPPLORY-UHFFFAOYSA-N 2 2 239.363 0.492 20 0 BCADLP CO[C@H](C)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000223945640 134343514 /nfs/dbraw/zinc/34/35/14/134343514.db2.gz YGRAIOVRXWHSBR-SECBINFHSA-N 2 2 226.324 0.611 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000335358513 134848011 /nfs/dbraw/zinc/84/80/11/134848011.db2.gz UNLKIAGJJVICRW-ONGXEEELSA-N 2 2 208.309 0.650 20 0 BCADLP C[C@H](O)C[N@@H+]1CCN(Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000249362435 135037049 /nfs/dbraw/zinc/03/70/49/135037049.db2.gz UXBZIDWOULEUIS-MNOVXSKESA-N 2 2 238.335 0.297 20 0 BCADLP C[C@H](O)C[N@H+]1CCN(Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000249362435 135037051 /nfs/dbraw/zinc/03/70/51/135037051.db2.gz UXBZIDWOULEUIS-MNOVXSKESA-N 2 2 238.335 0.297 20 0 BCADLP COC(=O)[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@H]1C ZINC000251682805 135073487 /nfs/dbraw/zinc/07/34/87/135073487.db2.gz HXPGENWCLDDYAT-GHMZBOCLSA-N 2 2 237.303 0.624 20 0 BCADLP COC(=O)[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@H]1C ZINC000251682805 135073488 /nfs/dbraw/zinc/07/34/88/135073488.db2.gz HXPGENWCLDDYAT-GHMZBOCLSA-N 2 2 237.303 0.624 20 0 BCADLP C[C@H]1C[N@H+](CC(=O)N2CCCC2)CC[C@@H]1[NH3+] ZINC000086886340 135100431 /nfs/dbraw/zinc/10/04/31/135100431.db2.gz GCDJRJSGWORBAR-QWRGUYRKSA-N 2 2 225.336 0.278 20 0 BCADLP C[C@H]1C[N@@H+](CC(=O)N2CCCC2)CC[C@@H]1[NH3+] ZINC000086886340 135100434 /nfs/dbraw/zinc/10/04/34/135100434.db2.gz GCDJRJSGWORBAR-QWRGUYRKSA-N 2 2 225.336 0.278 20 0 BCADLP C[C@H](C[S@](C)=O)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252815480 135112043 /nfs/dbraw/zinc/11/20/43/135112043.db2.gz VFNVALAVGMBGCV-CZFOOCMKSA-N 2 2 232.393 0.826 20 0 BCADLP C[C@H](C[S@](C)=O)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252815480 135112045 /nfs/dbraw/zinc/11/20/45/135112045.db2.gz VFNVALAVGMBGCV-CZFOOCMKSA-N 2 2 232.393 0.826 20 0 BCADLP O[C@@H]1CC[C@H]2C[N@H+](CCn3cc[nH+]c3)C[C@H]12 ZINC000252841124 135112627 /nfs/dbraw/zinc/11/26/27/135112627.db2.gz AJVJCGCVTHIMMM-SDDRHHMPSA-N 2 2 221.304 0.586 20 0 BCADLP O[C@@H]1CC[C@H]2C[N@@H+](CCn3cc[nH+]c3)C[C@H]12 ZINC000252841124 135112629 /nfs/dbraw/zinc/11/26/29/135112629.db2.gz AJVJCGCVTHIMMM-SDDRHHMPSA-N 2 2 221.304 0.586 20 0 BCADLP CC[C@H](COC)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000252955219 135116325 /nfs/dbraw/zinc/11/63/25/135116325.db2.gz IJRVIVGHBARVAU-TUAOUCFPSA-N 2 2 230.352 0.768 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1C[C@H]1C ZINC000252950913 135117778 /nfs/dbraw/zinc/11/77/78/135117778.db2.gz DJPOVVUHYVMXHX-DDHJBXDOSA-N 2 2 212.337 0.999 20 0 BCADLP CC(C)[C@@H](O)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000253031899 135119314 /nfs/dbraw/zinc/11/93/14/135119314.db2.gz SJVPBVYXRJDUPO-WOPDTQHZSA-N 2 2 230.352 0.360 20 0 BCADLP c1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)nc1 ZINC000257685224 135139222 /nfs/dbraw/zinc/13/92/22/135139222.db2.gz HWCBRPUJRQOUBS-AWEZNQCLSA-N 2 2 246.358 0.561 20 0 BCADLP CC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CCC[NH2+]C ZINC000087472640 135142103 /nfs/dbraw/zinc/14/21/03/135142103.db2.gz YUJOOTSFRSZQIJ-GHMZBOCLSA-N 2 2 229.368 0.831 20 0 BCADLP CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCC[NH2+]C ZINC000087472640 135142105 /nfs/dbraw/zinc/14/21/05/135142105.db2.gz YUJOOTSFRSZQIJ-GHMZBOCLSA-N 2 2 229.368 0.831 20 0 BCADLP CCCNC(=O)C[N@H+](C)CCC[NH2+]C ZINC000087472806 135142565 /nfs/dbraw/zinc/14/25/65/135142565.db2.gz LDFBUIMRKCLJSR-UHFFFAOYSA-N 2 2 201.314 0.054 20 0 BCADLP CCCNC(=O)C[N@@H+](C)CCC[NH2+]C ZINC000087472806 135142567 /nfs/dbraw/zinc/14/25/67/135142567.db2.gz LDFBUIMRKCLJSR-UHFFFAOYSA-N 2 2 201.314 0.054 20 0 BCADLP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]([NH3+])C2)n1 ZINC000261527345 135151468 /nfs/dbraw/zinc/15/14/68/135151468.db2.gz YYLRWHOUYMOLJK-SECBINFHSA-N 2 2 207.277 0.629 20 0 BCADLP Cc1ccc(O)c(C[N@H+]2CC[C@@H]([NH3+])C2)n1 ZINC000261527345 135151470 /nfs/dbraw/zinc/15/14/70/135151470.db2.gz YYLRWHOUYMOLJK-SECBINFHSA-N 2 2 207.277 0.629 20 0 BCADLP [NH3+]CC1CC[NH+](Cc2csnn2)CC1 ZINC000261527851 135152946 /nfs/dbraw/zinc/15/29/46/135152946.db2.gz HXYRXHUXJBFGKP-UHFFFAOYSA-N 2 2 212.322 0.709 20 0 BCADLP CCC[C@](C)([NH3+])C(=O)NCc1c[nH+]c[nH]1 ZINC000084081180 135180653 /nfs/dbraw/zinc/18/06/53/135180653.db2.gz VOWBJJXJGQVAPP-JTQLQIEISA-N 2 2 210.281 0.543 20 0 BCADLP CCC[C@](C)([NH3+])C(=O)NCc1c[nH]c[nH+]1 ZINC000084081180 135180655 /nfs/dbraw/zinc/18/06/55/135180655.db2.gz VOWBJJXJGQVAPP-JTQLQIEISA-N 2 2 210.281 0.543 20 0 BCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261550276 135189251 /nfs/dbraw/zinc/18/92/51/135189251.db2.gz LDXMISJXRHAEKH-GXFFZTMASA-N 2 2 237.347 0.339 20 0 BCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261550276 135189252 /nfs/dbraw/zinc/18/92/52/135189252.db2.gz LDXMISJXRHAEKH-GXFFZTMASA-N 2 2 237.347 0.339 20 0 BCADLP CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261555210 135195380 /nfs/dbraw/zinc/19/53/80/135195380.db2.gz PLUGSJQMMAYAQB-MNOVXSKESA-N 2 2 239.363 0.442 20 0 BCADLP CC(C)(C)NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261555210 135195381 /nfs/dbraw/zinc/19/53/81/135195381.db2.gz PLUGSJQMMAYAQB-MNOVXSKESA-N 2 2 239.363 0.442 20 0 BCADLP Cc1c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cnn1C ZINC000261556429 135197135 /nfs/dbraw/zinc/19/71/35/135197135.db2.gz QRBBGUSUEBNWPI-AAEUAGOBSA-N 2 2 234.347 0.770 20 0 BCADLP Cc1c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cnn1C ZINC000261556429 135197137 /nfs/dbraw/zinc/19/71/37/135197137.db2.gz QRBBGUSUEBNWPI-AAEUAGOBSA-N 2 2 234.347 0.770 20 0 BCADLP C(C[NH+]1CCOCC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261557492 135197599 /nfs/dbraw/zinc/19/75/99/135197599.db2.gz RUPHYQVPZBSGBV-QWHCGFSZSA-N 2 2 239.363 0.002 20 0 BCADLP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCOCC1 ZINC000261557492 135197600 /nfs/dbraw/zinc/19/76/00/135197600.db2.gz RUPHYQVPZBSGBV-QWHCGFSZSA-N 2 2 239.363 0.002 20 0 BCADLP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCOCC1 ZINC000261557492 135197602 /nfs/dbraw/zinc/19/76/02/135197602.db2.gz RUPHYQVPZBSGBV-QWHCGFSZSA-N 2 2 239.363 0.002 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000261557827 135198538 /nfs/dbraw/zinc/19/85/38/135198538.db2.gz XQEKWYYKKFDKDW-JTQLQIEISA-N 2 2 208.309 0.841 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000261557827 135198539 /nfs/dbraw/zinc/19/85/39/135198539.db2.gz XQEKWYYKKFDKDW-JTQLQIEISA-N 2 2 208.309 0.841 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261558727 135199675 /nfs/dbraw/zinc/19/96/75/135199675.db2.gz DGWDZMICDXTOTL-ZDUSSCGKSA-N 2 2 248.330 0.485 20 0 BCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261558876 135199684 /nfs/dbraw/zinc/19/96/84/135199684.db2.gz SVJFAOCALNCERY-YPMHNXCESA-N 2 2 239.363 0.587 20 0 BCADLP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261558876 135199685 /nfs/dbraw/zinc/19/96/85/135199685.db2.gz SVJFAOCALNCERY-YPMHNXCESA-N 2 2 239.363 0.587 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261561367 135202967 /nfs/dbraw/zinc/20/29/67/135202967.db2.gz VGGNFSGARWBQKC-TUAOUCFPSA-N 2 2 239.363 0.585 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261561367 135202968 /nfs/dbraw/zinc/20/29/68/135202968.db2.gz VGGNFSGARWBQKC-TUAOUCFPSA-N 2 2 239.363 0.585 20 0 BCADLP Cn1ncc(Cl)c1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000261564255 135206180 /nfs/dbraw/zinc/20/61/80/135206180.db2.gz CLIXSDWTDWIFOM-MRVPVSSYSA-N 2 2 228.727 0.854 20 0 BCADLP Cn1ncc(Cl)c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000261564255 135206182 /nfs/dbraw/zinc/20/61/82/135206182.db2.gz CLIXSDWTDWIFOM-MRVPVSSYSA-N 2 2 228.727 0.854 20 0 BCADLP CN1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1=O ZINC000261566097 135208183 /nfs/dbraw/zinc/20/81/83/135208183.db2.gz ICVDBVCQVXQAQX-JIMOISOXSA-N 2 2 245.326 0.952 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261568926 135211297 /nfs/dbraw/zinc/21/12/97/135211297.db2.gz FZMRACRQEMRSOU-GHMZBOCLSA-N 2 2 220.320 0.461 20 0 BCADLP Cn1ccnc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261568926 135211298 /nfs/dbraw/zinc/21/12/98/135211298.db2.gz FZMRACRQEMRSOU-GHMZBOCLSA-N 2 2 220.320 0.461 20 0 BCADLP Cn1ccnc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261568926 135211301 /nfs/dbraw/zinc/21/13/01/135211301.db2.gz FZMRACRQEMRSOU-GHMZBOCLSA-N 2 2 220.320 0.461 20 0 BCADLP Cc1nc(NCC(C)(C)[NH3+])nc(N(C)C)[nH+]1 ZINC000261577304 135218771 /nfs/dbraw/zinc/21/87/71/135218771.db2.gz KYGNDLSOUAARIV-UHFFFAOYSA-N 2 2 224.312 0.395 20 0 BCADLP C[C@H]([NH3+])C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000261587969 135228520 /nfs/dbraw/zinc/22/85/20/135228520.db2.gz SAOMSELJHVZTST-VIFPVBQESA-N 2 2 213.325 0.134 20 0 BCADLP C[C@@H]1CCC[N@H+](CCn2cncn2)[C@@H]1C[NH3+] ZINC000261587935 135228745 /nfs/dbraw/zinc/22/87/45/135228745.db2.gz RZCOVXRZRHOPIU-GHMZBOCLSA-N 2 2 223.324 0.337 20 0 BCADLP C[C@@H]1CCC[N@@H+](CCn2cncn2)[C@@H]1C[NH3+] ZINC000261587935 135228747 /nfs/dbraw/zinc/22/87/47/135228747.db2.gz RZCOVXRZRHOPIU-GHMZBOCLSA-N 2 2 223.324 0.337 20 0 BCADLP C[N@H+]1C[C@@H]2C[NH+](Cc3cnc(N)s3)C[C@@H]2C1 ZINC000261588392 135229311 /nfs/dbraw/zinc/22/93/11/135229311.db2.gz SIWQSXGVDKYIAV-DTORHVGOSA-N 2 2 238.360 0.719 20 0 BCADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cnc(N)s3)C[C@@H]2C1 ZINC000261588392 135229312 /nfs/dbraw/zinc/22/93/12/135229312.db2.gz SIWQSXGVDKYIAV-DTORHVGOSA-N 2 2 238.360 0.719 20 0 BCADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cnc(N)s3)C[C@@H]2C1 ZINC000261588392 135229313 /nfs/dbraw/zinc/22/93/13/135229313.db2.gz SIWQSXGVDKYIAV-DTORHVGOSA-N 2 2 238.360 0.719 20 0 BCADLP C[NH+]1C[C@@H]2C[N@H+](Cc3cnc(N)s3)C[C@@H]2C1 ZINC000261588392 135229314 /nfs/dbraw/zinc/22/93/14/135229314.db2.gz SIWQSXGVDKYIAV-DTORHVGOSA-N 2 2 238.360 0.719 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261589986 135230772 /nfs/dbraw/zinc/23/07/72/135230772.db2.gz UGYOBFXBCPOQBK-QWRGUYRKSA-N 2 2 225.336 0.196 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261589986 135230774 /nfs/dbraw/zinc/23/07/74/135230774.db2.gz UGYOBFXBCPOQBK-QWRGUYRKSA-N 2 2 225.336 0.196 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261589984 135231319 /nfs/dbraw/zinc/23/13/19/135231319.db2.gz UGYOBFXBCPOQBK-GHMZBOCLSA-N 2 2 225.336 0.196 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261589984 135231320 /nfs/dbraw/zinc/23/13/20/135231320.db2.gz UGYOBFXBCPOQBK-GHMZBOCLSA-N 2 2 225.336 0.196 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000261592632 135232958 /nfs/dbraw/zinc/23/29/58/135232958.db2.gz VYVIGNFRFCDYIT-ZJUUUORDSA-N 2 2 230.377 0.930 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000261592632 135232959 /nfs/dbraw/zinc/23/29/59/135232959.db2.gz VYVIGNFRFCDYIT-ZJUUUORDSA-N 2 2 230.377 0.930 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261593130 135233586 /nfs/dbraw/zinc/23/35/86/135233586.db2.gz WPRKNVDMPLFNHP-GHMZBOCLSA-N 2 2 220.320 0.604 20 0 BCADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)Nc2ccncc2)C1 ZINC000261721864 135248173 /nfs/dbraw/zinc/24/81/73/135248173.db2.gz NMIMXRIOYIROJV-CYBMUJFWSA-N 2 2 248.330 0.691 20 0 BCADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2ccncc2)C1 ZINC000261721864 135248174 /nfs/dbraw/zinc/24/81/74/135248174.db2.gz NMIMXRIOYIROJV-CYBMUJFWSA-N 2 2 248.330 0.691 20 0 BCADLP Cc1cccc2[nH+]c(CNC(=O)C[C@@H](C)[NH3+])cn21 ZINC000261786338 135252645 /nfs/dbraw/zinc/25/26/45/135252645.db2.gz KASAKZHRNNRHDY-SECBINFHSA-N 2 2 246.314 0.996 20 0 BCADLP C[NH2+][C@H]1CC[N@H+](CCC(C)(C)C(=O)OC)C1 ZINC000261790245 135253642 /nfs/dbraw/zinc/25/36/42/135253642.db2.gz GDPHPSFJZNXEMY-JTQLQIEISA-N 2 2 228.336 0.869 20 0 BCADLP C[NH2+][C@H]1CC[N@@H+](CCC(C)(C)C(=O)OC)C1 ZINC000261790245 135253644 /nfs/dbraw/zinc/25/36/44/135253644.db2.gz GDPHPSFJZNXEMY-JTQLQIEISA-N 2 2 228.336 0.869 20 0 BCADLP Cc1ccc2[nH+]c(CNC(=O)C[C@@H](C)[NH3+])cn2c1 ZINC000261825316 135256474 /nfs/dbraw/zinc/25/64/74/135256474.db2.gz OJFBRNLWFQGJIP-SNVBAGLBSA-N 2 2 246.314 0.996 20 0 BCADLP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261856931 135257863 /nfs/dbraw/zinc/25/78/63/135257863.db2.gz RYWPSXBOOWEFNF-CYBMUJFWSA-N 2 2 239.363 0.526 20 0 BCADLP CN(CC1CC1)C(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261856931 135257865 /nfs/dbraw/zinc/25/78/65/135257865.db2.gz RYWPSXBOOWEFNF-CYBMUJFWSA-N 2 2 239.363 0.526 20 0 BCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(N)=[NH2+])C[C@H](C)O1 ZINC000261874051 135259021 /nfs/dbraw/zinc/25/90/21/135259021.db2.gz PLEQVZFBHZGRJS-DTORHVGOSA-N 2 2 228.340 0.357 20 0 BCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(N)=[NH2+])C[C@H](C)O1 ZINC000261874051 135259022 /nfs/dbraw/zinc/25/90/22/135259022.db2.gz PLEQVZFBHZGRJS-DTORHVGOSA-N 2 2 228.340 0.357 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cnc3cnccn23)C1 ZINC000261923805 135263857 /nfs/dbraw/zinc/26/38/57/135263857.db2.gz YYVKKXNAXLZWIB-ZDUSSCGKSA-N 2 2 245.330 0.900 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000261923805 135263858 /nfs/dbraw/zinc/26/38/58/135263858.db2.gz YYVKKXNAXLZWIB-ZDUSSCGKSA-N 2 2 245.330 0.900 20 0 BCADLP C[C@@H]1CCCC[C@@H]1OCC[N@H+](CC[NH3+])CCO ZINC000342386889 135269788 /nfs/dbraw/zinc/26/97/88/135269788.db2.gz LRVRSEORVCVIKZ-OLZOCXBDSA-N 2 2 244.379 0.835 20 0 BCADLP C[C@@H]1CCCC[C@@H]1OCC[N@@H+](CC[NH3+])CCO ZINC000342386889 135269790 /nfs/dbraw/zinc/26/97/90/135269790.db2.gz LRVRSEORVCVIKZ-OLZOCXBDSA-N 2 2 244.379 0.835 20 0 BCADLP CN(CC[N@H+](CC[NH3+])CCO)c1ccccc1 ZINC000342389536 135270157 /nfs/dbraw/zinc/27/01/57/135270157.db2.gz OINVLTJSVIJBPT-UHFFFAOYSA-N 2 2 237.347 0.376 20 0 BCADLP CN(CC[N@@H+](CC[NH3+])CCO)c1ccccc1 ZINC000342389536 135270158 /nfs/dbraw/zinc/27/01/58/135270158.db2.gz OINVLTJSVIJBPT-UHFFFAOYSA-N 2 2 237.347 0.376 20 0 BCADLP CCC[C@@H]1C(=O)NCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262079552 135278155 /nfs/dbraw/zinc/27/81/55/135278155.db2.gz SWJLFLYZUJZAFK-DGCLKSJQSA-N 2 2 239.363 0.587 20 0 BCADLP CCC[C@@H]1C(=O)NCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262079552 135278157 /nfs/dbraw/zinc/27/81/57/135278157.db2.gz SWJLFLYZUJZAFK-DGCLKSJQSA-N 2 2 239.363 0.587 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000342546782 135287162 /nfs/dbraw/zinc/28/71/62/135287162.db2.gz KSLHIUNWFPGEIP-RKDXNWHRSA-N 2 2 222.292 0.224 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000342546782 135287163 /nfs/dbraw/zinc/28/71/63/135287163.db2.gz KSLHIUNWFPGEIP-RKDXNWHRSA-N 2 2 222.292 0.224 20 0 BCADLP C[C@@H](C[NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000262367710 135297894 /nfs/dbraw/zinc/29/78/94/135297894.db2.gz LGLFHZPCZPFMEB-UWVGGRQHSA-N 2 2 236.319 0.711 20 0 BCADLP Cc1c[nH+]c(CN2C[C@H]3CCC[NH2+][C@H]3C2)n1C ZINC000342799872 135321075 /nfs/dbraw/zinc/32/10/75/135321075.db2.gz PDHAHGYSJPZCBN-NEPJUHHUSA-N 2 2 234.347 0.912 20 0 BCADLP CC[NH+](CC)CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262894841 135323302 /nfs/dbraw/zinc/32/33/02/135323302.db2.gz CVPHDFLRTBKVEQ-SECBINFHSA-N 2 2 249.305 0.442 20 0 BCADLP [NH3+]CC[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000262940043 135324371 /nfs/dbraw/zinc/32/43/71/135324371.db2.gz ITCIJGBUSYEUPA-NSHDSACASA-N 2 2 225.336 0.183 20 0 BCADLP [NH3+]CC[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000262940043 135324373 /nfs/dbraw/zinc/32/43/73/135324373.db2.gz ITCIJGBUSYEUPA-NSHDSACASA-N 2 2 225.336 0.183 20 0 BCADLP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262992645 135325838 /nfs/dbraw/zinc/32/58/38/135325838.db2.gz NWEVABSYTRRWIG-IUCAKERBSA-N 2 2 247.289 0.052 20 0 BCADLP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262992645 135325840 /nfs/dbraw/zinc/32/58/40/135325840.db2.gz NWEVABSYTRRWIG-IUCAKERBSA-N 2 2 247.289 0.052 20 0 BCADLP [NH3+]CC[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000263065419 135330654 /nfs/dbraw/zinc/33/06/54/135330654.db2.gz VWKPNWNIKVQKOM-SNVBAGLBSA-N 2 2 235.335 0.362 20 0 BCADLP [NH3+]CC[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000263065419 135330656 /nfs/dbraw/zinc/33/06/56/135330656.db2.gz VWKPNWNIKVQKOM-SNVBAGLBSA-N 2 2 235.335 0.362 20 0 BCADLP C[NH+]1CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000080992955 135385148 /nfs/dbraw/zinc/38/51/48/135385148.db2.gz JGZKQMVAXOLGIP-LLVKDONJSA-N 2 2 225.336 0.293 20 0 BCADLP Cc1cn2cc(NC(=O)[C@@H]3C[C@@H]3[NH3+])ccc2[nH+]1 ZINC000335284979 136002198 /nfs/dbraw/zinc/00/21/98/136002198.db2.gz QDYDJBZSLWKFOL-ZJUUUORDSA-N 2 2 230.271 0.928 20 0 BCADLP Cn1c[nH+]cc1CCN1CC[NH+](C2CC2)CC1 ZINC000347735924 136004836 /nfs/dbraw/zinc/00/48/36/136004836.db2.gz JYKHDBWTFZXPMR-UHFFFAOYSA-N 2 2 234.347 0.743 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)Cc1cnccn1 ZINC000347762233 136008373 /nfs/dbraw/zinc/00/83/73/136008373.db2.gz YEGHWLQCRUMXRL-UHFFFAOYSA-N 2 2 231.303 0.885 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1cnccn1 ZINC000347762233 136008374 /nfs/dbraw/zinc/00/83/74/136008374.db2.gz YEGHWLQCRUMXRL-UHFFFAOYSA-N 2 2 231.303 0.885 20 0 BCADLP CC(=O)[C@](C)(O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000347816118 136013754 /nfs/dbraw/zinc/01/37/54/136013754.db2.gz VZPVVGBAZCLFBI-NWDGAFQWSA-N 2 2 228.336 0.210 20 0 BCADLP CC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000347816118 136013755 /nfs/dbraw/zinc/01/37/55/136013755.db2.gz VZPVVGBAZCLFBI-NWDGAFQWSA-N 2 2 228.336 0.210 20 0 BCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)NC3CC3)C2)C1 ZINC000335306118 136020784 /nfs/dbraw/zinc/02/07/84/136020784.db2.gz IGLSFKFJWDOJKM-CYBMUJFWSA-N 2 2 237.347 0.293 20 0 BCADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)NC3CC3)C2)C1 ZINC000335306118 136020785 /nfs/dbraw/zinc/02/07/85/136020785.db2.gz IGLSFKFJWDOJKM-CYBMUJFWSA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)NC3CC3)C2)C1 ZINC000335306118 136020786 /nfs/dbraw/zinc/02/07/86/136020786.db2.gz IGLSFKFJWDOJKM-CYBMUJFWSA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)NC3CC3)C2)C1 ZINC000335306118 136020787 /nfs/dbraw/zinc/02/07/87/136020787.db2.gz IGLSFKFJWDOJKM-CYBMUJFWSA-N 2 2 237.347 0.293 20 0 BCADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCNC1=O ZINC000348311827 136067490 /nfs/dbraw/zinc/06/74/90/136067490.db2.gz JPCYIFXIFSVFLU-WDEREUQCSA-N 2 2 225.336 0.291 20 0 BCADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCNC1=O ZINC000348311827 136067491 /nfs/dbraw/zinc/06/74/91/136067491.db2.gz JPCYIFXIFSVFLU-WDEREUQCSA-N 2 2 225.336 0.291 20 0 BCADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCNC1=O ZINC000348311827 136067492 /nfs/dbraw/zinc/06/74/92/136067492.db2.gz JPCYIFXIFSVFLU-WDEREUQCSA-N 2 2 225.336 0.291 20 0 BCADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCNC1=O ZINC000348311827 136067493 /nfs/dbraw/zinc/06/74/93/136067493.db2.gz JPCYIFXIFSVFLU-WDEREUQCSA-N 2 2 225.336 0.291 20 0 BCADLP C[NH+]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000335556287 136099372 /nfs/dbraw/zinc/09/93/72/136099372.db2.gz AIGABAXDFNEYPU-LLVKDONJSA-N 2 2 248.330 0.220 20 0 BCADLP C[C@H]([NH3+])C(=O)NCCCCn1cc[nH+]c1 ZINC000045109179 322843753 /nfs/dbraw/zinc/84/37/53/322843753.db2.gz BHAREXFYCHETNK-VIFPVBQESA-N 2 2 210.281 0.127 20 0 BCADLP CC(C)(C[NH3+])NC(=O)c1ccc2[nH+]ccn2c1 ZINC000178872987 397851009 /nfs/dbraw/zinc/85/10/09/397851009.db2.gz ZSWSTFAWWLHOOC-UHFFFAOYSA-N 2 2 232.287 0.801 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266894573 397940027 /nfs/dbraw/zinc/94/00/27/397940027.db2.gz DXZBIPQQZQBSHQ-ZJUUUORDSA-N 2 2 236.319 0.853 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266894573 397940032 /nfs/dbraw/zinc/94/00/32/397940032.db2.gz DXZBIPQQZQBSHQ-ZJUUUORDSA-N 2 2 236.319 0.853 20 0 BCADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1[NH+](C)C ZINC000492872560 397899843 /nfs/dbraw/zinc/89/98/43/397899843.db2.gz YZOXLJSAAIEOIY-ZHLVKLTDSA-N 2 2 248.330 0.831 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537787 397919035 /nfs/dbraw/zinc/91/90/35/397919035.db2.gz QVBJRIALPKFUFU-IMSYWVGJSA-N 2 2 204.289 0.699 20 0 BCADLP NC(=O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647884903 397925799 /nfs/dbraw/zinc/92/57/99/397925799.db2.gz IJRDWXVNBVUXHU-CYBMUJFWSA-N 2 2 247.342 0.583 20 0 BCADLP NC(=O)C[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647884903 397925801 /nfs/dbraw/zinc/92/58/01/397925801.db2.gz IJRDWXVNBVUXHU-CYBMUJFWSA-N 2 2 247.342 0.583 20 0 BCADLP C[C@@H]([NH3+])CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000647021106 398005060 /nfs/dbraw/zinc/00/50/60/398005060.db2.gz ZTKVPXQNPZJWPL-SECBINFHSA-N 2 2 245.286 0.344 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1(CO)CCSCC1 ZINC000649627427 398008902 /nfs/dbraw/zinc/00/89/02/398008902.db2.gz GMHBIRPMGOJWAE-LLVKDONJSA-N 2 2 244.404 0.928 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1(CO)CCSCC1 ZINC000649627427 398008904 /nfs/dbraw/zinc/00/89/04/398008904.db2.gz GMHBIRPMGOJWAE-LLVKDONJSA-N 2 2 244.404 0.928 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000121328192 398009074 /nfs/dbraw/zinc/00/90/74/398009074.db2.gz XFVUZELTIPLJJQ-IUCAKERBSA-N 2 2 240.269 0.793 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000121328192 398009077 /nfs/dbraw/zinc/00/90/77/398009077.db2.gz XFVUZELTIPLJJQ-IUCAKERBSA-N 2 2 240.269 0.793 20 0 BCADLP [NH3+]Cc1ccc(C(=O)NCC[N@H+]2CC=CCC2)o1 ZINC000392900486 398060878 /nfs/dbraw/zinc/06/08/78/398060878.db2.gz PUNYFVWWEQWPRB-UHFFFAOYSA-N 2 2 249.314 0.730 20 0 BCADLP [NH3+]Cc1ccc(C(=O)NCC[N@@H+]2CC=CCC2)o1 ZINC000392900486 398060882 /nfs/dbraw/zinc/06/08/82/398060882.db2.gz PUNYFVWWEQWPRB-UHFFFAOYSA-N 2 2 249.314 0.730 20 0 BCADLP CC[C@@](C)([NH3+])c1cn(Cc2[nH+]ccn2C)nn1 ZINC000384205003 398074651 /nfs/dbraw/zinc/07/46/51/398074651.db2.gz MYMWSSZBXYCVBJ-LLVKDONJSA-N 2 2 234.307 0.644 20 0 BCADLP COC[C@@H]1C[C@@H](O)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000649743866 398081307 /nfs/dbraw/zinc/08/13/07/398081307.db2.gz FVWBCCGKFRQVJJ-NWDGAFQWSA-N 2 2 239.319 0.355 20 0 BCADLP COC[C@@H]1C[C@@H](O)C[N@H+]1CCCn1cc[nH+]c1 ZINC000649743866 398081308 /nfs/dbraw/zinc/08/13/08/398081308.db2.gz FVWBCCGKFRQVJJ-NWDGAFQWSA-N 2 2 239.319 0.355 20 0 BCADLP CCn1nccc1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414932462 398111617 /nfs/dbraw/zinc/11/16/17/398111617.db2.gz RCUPVRIORXUBAZ-ZYHUDNBSSA-N 2 2 222.336 0.991 20 0 BCADLP CC(C)N1C[C@@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1=O ZINC000358150684 167030648 /nfs/dbraw/zinc/03/06/48/167030648.db2.gz ILZNLWLQSIZDSQ-WOPDTQHZSA-N 2 2 239.363 0.535 20 0 BCADLP CC(C)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123288603 167048453 /nfs/dbraw/zinc/04/84/53/167048453.db2.gz VTGQXDBOIQQVCG-VXGBXAGGSA-N 2 2 241.379 0.926 20 0 BCADLP CC(C)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123288603 167048455 /nfs/dbraw/zinc/04/84/55/167048455.db2.gz VTGQXDBOIQQVCG-VXGBXAGGSA-N 2 2 241.379 0.926 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@@H]1CSC[C@@H]1C ZINC000308952025 174278367 /nfs/dbraw/zinc/27/83/67/174278367.db2.gz HRCLQNCNUIDCSO-WDEREUQCSA-N 2 2 232.393 0.906 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@@H]1CSC[C@@H]1C ZINC000308952025 174278369 /nfs/dbraw/zinc/27/83/69/174278369.db2.gz HRCLQNCNUIDCSO-WDEREUQCSA-N 2 2 232.393 0.906 20 0 BCADLP CC[N@@H+](Cc1ccccn1)C[C@@H]1C[NH2+]CCO1 ZINC000094916672 487563678 /nfs/dbraw/zinc/56/36/78/487563678.db2.gz JJTHCPJXFOSKCO-ZDUSSCGKSA-N 2 2 235.331 0.892 20 0 BCADLP CC[N@H+](Cc1ccccn1)C[C@@H]1C[NH2+]CCO1 ZINC000094916672 487563683 /nfs/dbraw/zinc/56/36/83/487563683.db2.gz JJTHCPJXFOSKCO-ZDUSSCGKSA-N 2 2 235.331 0.892 20 0 BCADLP Cc1nc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc[nH+]1 ZINC000405433164 487582625 /nfs/dbraw/zinc/58/26/25/487582625.db2.gz BJCIQKXXFMURNI-WDEREUQCSA-N 2 2 234.303 0.040 20 0 BCADLP Cc1nc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc[nH+]1 ZINC000405433164 487582629 /nfs/dbraw/zinc/58/26/29/487582629.db2.gz BJCIQKXXFMURNI-WDEREUQCSA-N 2 2 234.303 0.040 20 0 BCADLP CC(C)OCC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000308656886 167244482 /nfs/dbraw/zinc/24/44/82/167244482.db2.gz OMNDOQIFDHZEBV-GHMZBOCLSA-N 2 2 200.326 0.951 20 0 BCADLP CC(C)OCC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000308656886 167244485 /nfs/dbraw/zinc/24/44/85/167244485.db2.gz OMNDOQIFDHZEBV-GHMZBOCLSA-N 2 2 200.326 0.951 20 0 BCADLP Cn1cc[nH+]c1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000082304025 487591331 /nfs/dbraw/zinc/59/13/31/487591331.db2.gz PCVVZQHJVACORE-UWVGGRQHSA-N 2 2 206.293 0.071 20 0 BCADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nc(N(C)C)no1 ZINC000662263408 409557907 /nfs/dbraw/zinc/55/79/07/409557907.db2.gz ARNOGLRAMYKGOY-IUCAKERBSA-N 2 2 239.323 0.305 20 0 BCADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nc(N(C)C)no1 ZINC000662263408 409557915 /nfs/dbraw/zinc/55/79/15/409557915.db2.gz ARNOGLRAMYKGOY-IUCAKERBSA-N 2 2 239.323 0.305 20 0 BCADLP CCN1CC[C@H]([NH2+]CC2([NH3+])CCC2)C1=O ZINC000662264220 409562442 /nfs/dbraw/zinc/56/24/42/409562442.db2.gz CNXXGBSVGLVOTR-VIFPVBQESA-N 2 2 211.309 0.078 20 0 BCADLP FC1(F)C[C@@H]1OCC[N@@H+]1CCC[NH2+]CC1 ZINC000662241921 409529176 /nfs/dbraw/zinc/52/91/76/409529176.db2.gz YPGSMKCHNGDXDQ-VIFPVBQESA-N 2 2 220.263 0.706 20 0 BCADLP FC1(F)C[C@@H]1OCC[N@H+]1CCC[NH2+]CC1 ZINC000662241921 409529185 /nfs/dbraw/zinc/52/91/85/409529185.db2.gz YPGSMKCHNGDXDQ-VIFPVBQESA-N 2 2 220.263 0.706 20 0 BCADLP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ncn1 ZINC000662243195 409535237 /nfs/dbraw/zinc/53/52/37/409535237.db2.gz GQYLULQXQOTHBN-BXKDBHETSA-N 2 2 220.320 0.954 20 0 BCADLP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ncn1 ZINC000662243195 409535247 /nfs/dbraw/zinc/53/52/47/409535247.db2.gz GQYLULQXQOTHBN-BXKDBHETSA-N 2 2 220.320 0.954 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)CCc1nnn(C(C)(C)C)n1 ZINC000662244329 409537466 /nfs/dbraw/zinc/53/74/66/409537466.db2.gz MMJZNXGJOOGRAN-VIFPVBQESA-N 2 2 240.355 0.250 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)CCc1nnn(C(C)(C)C)n1 ZINC000662244329 409537475 /nfs/dbraw/zinc/53/74/75/409537475.db2.gz MMJZNXGJOOGRAN-VIFPVBQESA-N 2 2 240.355 0.250 20 0 BCADLP CCOC[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662254438 409553289 /nfs/dbraw/zinc/55/32/89/409553289.db2.gz HZCPKOPNOBOMQN-CHWSQXEVSA-N 2 2 242.363 0.723 20 0 BCADLP CCOC[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662254438 409553307 /nfs/dbraw/zinc/55/33/07/409553307.db2.gz HZCPKOPNOBOMQN-CHWSQXEVSA-N 2 2 242.363 0.723 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000653090863 409639281 /nfs/dbraw/zinc/63/92/81/409639281.db2.gz ATLCRWCAYQOBPO-UTUOFQBUSA-N 2 2 239.363 0.524 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000662274794 409584363 /nfs/dbraw/zinc/58/43/63/409584363.db2.gz XFCJYKYWTIIQKF-GFCCVEGCSA-N 3 2 239.363 0.050 20 0 BCADLP CN(CC(C)(C)C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653075209 409586530 /nfs/dbraw/zinc/58/65/30/409586530.db2.gz JNNMNZGWHAGQBZ-JTQLQIEISA-N 2 2 229.368 0.770 20 0 BCADLP Cc1ncc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cn1 ZINC000653086432 409614341 /nfs/dbraw/zinc/61/43/41/409614341.db2.gz QVJLCPYGSRBONN-JTQLQIEISA-N 2 2 237.307 0.003 20 0 BCADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CCS1 ZINC000653086211 409615046 /nfs/dbraw/zinc/61/50/46/409615046.db2.gz KGICPWBROQQSDV-NXEZZACHSA-N 2 2 245.392 0.229 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000660726931 409664045 /nfs/dbraw/zinc/66/40/45/409664045.db2.gz ZDCPKPRJHWWNAP-SECBINFHSA-N 2 2 222.292 0.012 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC(=O)N[C@H](C)C1 ZINC000660726931 409664057 /nfs/dbraw/zinc/66/40/57/409664057.db2.gz ZDCPKPRJHWWNAP-SECBINFHSA-N 2 2 222.292 0.012 20 0 BCADLP CC[C@@]1(C)CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653099557 409741410 /nfs/dbraw/zinc/74/14/10/409741410.db2.gz UHMWJMLCECJPCF-AAEUAGOBSA-N 2 2 241.379 0.914 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000660809888 409778462 /nfs/dbraw/zinc/77/84/62/409778462.db2.gz AIGRSHUAQCHGBQ-CMPLNLGQSA-N 2 2 239.319 0.273 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000660809888 409778470 /nfs/dbraw/zinc/77/84/70/409778470.db2.gz AIGRSHUAQCHGBQ-CMPLNLGQSA-N 2 2 239.319 0.273 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCCC1CCC1 ZINC000662664812 409822290 /nfs/dbraw/zinc/82/22/90/409822290.db2.gz DFHAHZBODCCTTL-LBPRGKRZSA-N 2 2 241.379 0.962 20 0 BCADLP C[C@H](C[NH3+])NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653130650 409842529 /nfs/dbraw/zinc/84/25/29/409842529.db2.gz YQNCQNOMONPHQH-SECBINFHSA-N 2 2 236.319 0.225 20 0 BCADLP CC[C@H](C)CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000662628052 409797240 /nfs/dbraw/zinc/79/72/40/409797240.db2.gz WIAYNSLHZQOMIH-WDEREUQCSA-N 2 2 229.368 0.818 20 0 BCADLP Cc1ccnc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653104623 409798912 /nfs/dbraw/zinc/79/89/12/409798912.db2.gz NDCPMKSFUFSOGS-JTQLQIEISA-N 2 2 236.319 0.608 20 0 BCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1CCC[NH2+]CC1 ZINC000653106251 409799886 /nfs/dbraw/zinc/79/98/86/409799886.db2.gz YMGOWGIQGITMLR-LLVKDONJSA-N 2 2 236.319 0.389 20 0 BCADLP CC(C)C[C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653151085 409875054 /nfs/dbraw/zinc/87/50/54/409875054.db2.gz WNMFTQWWLMQLKL-MNOVXSKESA-N 2 2 229.368 0.816 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC(C)(F)F ZINC000662899735 409973318 /nfs/dbraw/zinc/97/33/18/409973318.db2.gz ZSLMIOFWAVNJOG-SSDOTTSWSA-N 2 2 223.267 0.037 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H](C)C[NH3+] ZINC000662899285 409974770 /nfs/dbraw/zinc/97/47/70/409974770.db2.gz FYEGGLZCPMBSCO-BDAKNGLRSA-N 2 2 224.308 0.675 20 0 BCADLP C[C@H](CCC1CC1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653156650 409976677 /nfs/dbraw/zinc/97/66/77/409976677.db2.gz HJJGCXQYJPQXRP-ZYHUDNBSSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)c1[nH+]ccn1C ZINC000662933116 409979648 /nfs/dbraw/zinc/97/96/48/409979648.db2.gz GMMIMDMXTOFWKF-LPEHRKFASA-N 2 2 236.319 0.595 20 0 BCADLP C[C@H](NC(=O)[C@@H]1C[C@]12CC[NH2+]C2)c1[nH+]ccn1C ZINC000662934861 409982507 /nfs/dbraw/zinc/98/25/07/409982507.db2.gz RAAOJWGNIMZASX-KWBADKCTSA-N 2 2 248.330 0.597 20 0 BCADLP Cn1cnnc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000150282200 487611964 /nfs/dbraw/zinc/61/19/64/487611964.db2.gz VXVBURSJKDVODC-JTQLQIEISA-N 2 2 223.324 0.518 20 0 BCADLP Cn1cnnc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000150282200 487611970 /nfs/dbraw/zinc/61/19/70/487611970.db2.gz VXVBURSJKDVODC-JTQLQIEISA-N 2 2 223.324 0.518 20 0 BCADLP CCOC[C@H](O)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000309100494 410243179 /nfs/dbraw/zinc/24/31/79/410243179.db2.gz IUUIPUVKGNEPEW-GHMZBOCLSA-N 2 2 216.325 0.068 20 0 BCADLP CCOC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000309100494 410243186 /nfs/dbraw/zinc/24/31/86/410243186.db2.gz IUUIPUVKGNEPEW-GHMZBOCLSA-N 2 2 216.325 0.068 20 0 BCADLP CCn1cc[nH+]c1CNCC12CC(C1)C[NH2+]2 ZINC000663502353 410278387 /nfs/dbraw/zinc/27/83/87/410278387.db2.gz UEAYIDOMZXOATB-UHFFFAOYSA-N 2 2 220.320 0.745 20 0 BCADLP CCO[C@@H]1C[N@H+](CC(C)(C)[NH3+])C[C@H]1C[NH3+] ZINC000650714600 410348445 /nfs/dbraw/zinc/34/84/45/410348445.db2.gz RFMHWWADIKZWFD-NXEZZACHSA-N 3 2 215.341 0.019 20 0 BCADLP CCO[C@@H]1C[N@@H+](CC(C)(C)[NH3+])C[C@H]1C[NH3+] ZINC000650714600 410348448 /nfs/dbraw/zinc/34/84/48/410348448.db2.gz RFMHWWADIKZWFD-NXEZZACHSA-N 3 2 215.341 0.019 20 0 BCADLP [NH3+][C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000655452586 410293099 /nfs/dbraw/zinc/29/30/99/410293099.db2.gz WPMLHJFFSYCNAC-WDEREUQCSA-N 2 2 248.330 0.299 20 0 BCADLP Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000650724393 410361574 /nfs/dbraw/zinc/36/15/74/410361574.db2.gz FIDCWHMLEVTMEH-PWSUYJOCSA-N 2 2 247.342 0.714 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650747566 410387684 /nfs/dbraw/zinc/38/76/84/410387684.db2.gz CJUSWFGHBIDXKW-VXGBXAGGSA-N 3 2 241.379 0.472 20 0 BCADLP CCCCOCC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000133311449 410435169 /nfs/dbraw/zinc/43/51/69/410435169.db2.gz TVNMVWWKSOUYSB-NEPJUHHUSA-N 2 2 230.352 0.851 20 0 BCADLP CCCCOCC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000133311449 410435175 /nfs/dbraw/zinc/43/51/75/410435175.db2.gz TVNMVWWKSOUYSB-NEPJUHHUSA-N 2 2 230.352 0.851 20 0 BCADLP CCN1C[C@H](C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1=O ZINC000652001535 410565616 /nfs/dbraw/zinc/56/56/16/410565616.db2.gz WVELYBGEXUSBFZ-SDDRHHMPSA-N 2 2 239.363 0.395 20 0 BCADLP CCN1C[C@H](C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1=O ZINC000652001535 410565622 /nfs/dbraw/zinc/56/56/22/410565622.db2.gz WVELYBGEXUSBFZ-SDDRHHMPSA-N 2 2 239.363 0.395 20 0 BCADLP CC[C@H]([NH2+]C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000662502039 487617541 /nfs/dbraw/zinc/61/75/41/487617541.db2.gz SDSANHLRNRZCRT-NSHDSACASA-N 2 2 246.314 0.949 20 0 BCADLP CC(C)([NH3+])C[NH2+]Cc1cnc(N)s1 ZINC000570213123 410582918 /nfs/dbraw/zinc/58/29/18/410582918.db2.gz WFNCNACCCPUXOO-UHFFFAOYSA-N 2 2 200.311 0.552 20 0 BCADLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(N)nc3)C[C@@H]2C1 ZINC000647537724 410638296 /nfs/dbraw/zinc/63/82/96/410638296.db2.gz DAGIETMMOCPNPJ-TXEJJXNPSA-N 2 2 232.331 0.657 20 0 BCADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(N)nc3)C[C@@H]2C1 ZINC000647537724 410638300 /nfs/dbraw/zinc/63/83/00/410638300.db2.gz DAGIETMMOCPNPJ-TXEJJXNPSA-N 2 2 232.331 0.657 20 0 BCADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N)nc3)C[C@@H]2C1 ZINC000647537724 410638304 /nfs/dbraw/zinc/63/83/04/410638304.db2.gz DAGIETMMOCPNPJ-TXEJJXNPSA-N 2 2 232.331 0.657 20 0 BCADLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N)nc3)C[C@@H]2C1 ZINC000647537724 410638307 /nfs/dbraw/zinc/63/83/07/410638307.db2.gz DAGIETMMOCPNPJ-TXEJJXNPSA-N 2 2 232.331 0.657 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](O)C1 ZINC000309277971 410702039 /nfs/dbraw/zinc/70/20/39/410702039.db2.gz SLULPYZMQDURQF-NEPJUHHUSA-N 2 2 230.352 0.144 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](O)C1 ZINC000309277971 410702040 /nfs/dbraw/zinc/70/20/40/410702040.db2.gz SLULPYZMQDURQF-NEPJUHHUSA-N 2 2 230.352 0.144 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000309277971 410702042 /nfs/dbraw/zinc/70/20/42/410702042.db2.gz SLULPYZMQDURQF-NEPJUHHUSA-N 2 2 230.352 0.144 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](O)C1 ZINC000309277971 410702044 /nfs/dbraw/zinc/70/20/44/410702044.db2.gz SLULPYZMQDURQF-NEPJUHHUSA-N 2 2 230.352 0.144 20 0 BCADLP CC(C)N1C[C@@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1=O ZINC000358150684 167030645 /nfs/dbraw/zinc/03/06/45/167030645.db2.gz ILZNLWLQSIZDSQ-WOPDTQHZSA-N 2 2 239.363 0.535 20 0 BCADLP CC(C)NC(=O)C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000043493639 167047914 /nfs/dbraw/zinc/04/79/14/167047914.db2.gz PMEGFUQKFRVGFX-NSHDSACASA-N 2 2 227.352 0.442 20 0 BCADLP CC(C)NC(=O)C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000043493639 167047916 /nfs/dbraw/zinc/04/79/16/167047916.db2.gz PMEGFUQKFRVGFX-NSHDSACASA-N 2 2 227.352 0.442 20 0 BCADLP CC(C)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123288603 167048446 /nfs/dbraw/zinc/04/84/46/167048446.db2.gz VTGQXDBOIQQVCG-VXGBXAGGSA-N 2 2 241.379 0.926 20 0 BCADLP CC(C)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123288603 167048450 /nfs/dbraw/zinc/04/84/50/167048450.db2.gz VTGQXDBOIQQVCG-VXGBXAGGSA-N 2 2 241.379 0.926 20 0 BCADLP CC(C)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123288812 167048685 /nfs/dbraw/zinc/04/86/85/167048685.db2.gz VTGQXDBOIQQVCG-NWDGAFQWSA-N 2 2 241.379 0.926 20 0 BCADLP CC(C)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123288812 167048686 /nfs/dbraw/zinc/04/86/86/167048686.db2.gz VTGQXDBOIQQVCG-NWDGAFQWSA-N 2 2 241.379 0.926 20 0 BCADLP CC(C)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123288812 167048688 /nfs/dbraw/zinc/04/86/88/167048688.db2.gz VTGQXDBOIQQVCG-NWDGAFQWSA-N 2 2 241.379 0.926 20 0 BCADLP CC(C)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123288812 167048689 /nfs/dbraw/zinc/04/86/89/167048689.db2.gz VTGQXDBOIQQVCG-NWDGAFQWSA-N 2 2 241.379 0.926 20 0 BCADLP CC(=O)NC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000309317482 410922335 /nfs/dbraw/zinc/92/23/35/410922335.db2.gz ZHGLUPQXTONQGM-UHFFFAOYSA-N 2 2 213.325 0.324 20 0 BCADLP NC(=O)[C@H]1C[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000651939740 411154955 /nfs/dbraw/zinc/15/49/55/411154955.db2.gz OYRSYYJSBUKFIL-AOOOYVTPSA-N 2 2 244.298 0.688 20 0 BCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@H]1CC[NH2+]C1)CC2 ZINC000659566634 411180887 /nfs/dbraw/zinc/18/08/87/411180887.db2.gz NVTHWEGOZQSPFK-JTQLQIEISA-N 2 2 249.318 0.079 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC(C2CC2)C1 ZINC000656152601 411186931 /nfs/dbraw/zinc/18/69/31/411186931.db2.gz ZLMCYLIHZJXMPN-CYBMUJFWSA-N 2 2 242.363 0.267 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C2CC2)C1 ZINC000656152601 411186933 /nfs/dbraw/zinc/18/69/33/411186933.db2.gz ZLMCYLIHZJXMPN-CYBMUJFWSA-N 2 2 242.363 0.267 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC([C@H]2CCOC2)C1 ZINC000656151921 411187321 /nfs/dbraw/zinc/18/73/21/411187321.db2.gz OXLSXUCBDVHVSS-AAEUAGOBSA-N 2 2 242.363 0.267 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC([C@H]2CCOC2)C1 ZINC000656151921 411187324 /nfs/dbraw/zinc/18/73/24/411187324.db2.gz OXLSXUCBDVHVSS-AAEUAGOBSA-N 2 2 242.363 0.267 20 0 BCADLP COC[C@H](CC1CCOCC1)[NH2+]CC[NH+](C)C ZINC000658012736 411196841 /nfs/dbraw/zinc/19/68/41/411196841.db2.gz DJQLXZFEQGVLGM-ZDUSSCGKSA-N 2 2 244.379 0.969 20 0 BCADLP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000656193016 411198491 /nfs/dbraw/zinc/19/84/91/411198491.db2.gz HVIDDIDJEZTTJR-VLEAKVRGSA-N 3 2 215.316 0.546 20 0 BCADLP CCO[C@@H]1C[N@H+](Cc2ncc(C)o2)C[C@H]1C[NH3+] ZINC000652356399 411215336 /nfs/dbraw/zinc/21/53/36/411215336.db2.gz HFTXEIPEXKOWBT-GHMZBOCLSA-N 2 2 239.319 0.779 20 0 BCADLP CCO[C@@H]1C[N@@H+](Cc2ncc(C)o2)C[C@H]1C[NH3+] ZINC000652356399 411215338 /nfs/dbraw/zinc/21/53/38/411215338.db2.gz HFTXEIPEXKOWBT-GHMZBOCLSA-N 2 2 239.319 0.779 20 0 BCADLP C[C@@H](O)C[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000653902583 411217121 /nfs/dbraw/zinc/21/71/21/411217121.db2.gz WTRNQKRQDRIPAD-SNVBAGLBSA-N 2 2 209.293 0.728 20 0 BCADLP C[C@@H](O)C[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000653902583 411217122 /nfs/dbraw/zinc/21/71/22/411217122.db2.gz WTRNQKRQDRIPAD-SNVBAGLBSA-N 2 2 209.293 0.728 20 0 BCADLP Cn1c[nH+]cc1C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000267651400 411230365 /nfs/dbraw/zinc/23/03/65/411230365.db2.gz XQVIXNDUMMSXJC-SECBINFHSA-N 2 2 224.308 0.410 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCCO1 ZINC000310330317 411233506 /nfs/dbraw/zinc/23/35/06/411233506.db2.gz BLCQDZGVJPXYIR-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCCO1 ZINC000310330317 411233511 /nfs/dbraw/zinc/23/35/11/411233511.db2.gz BLCQDZGVJPXYIR-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)C[C@H]1CCCO1 ZINC000310330317 411233515 /nfs/dbraw/zinc/23/35/15/411233515.db2.gz BLCQDZGVJPXYIR-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H]1CCCO1 ZINC000310330317 411233516 /nfs/dbraw/zinc/23/35/16/411233516.db2.gz BLCQDZGVJPXYIR-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCCO1 ZINC000310330319 411234046 /nfs/dbraw/zinc/23/40/46/411234046.db2.gz BLCQDZGVJPXYIR-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCCO1 ZINC000310330319 411234047 /nfs/dbraw/zinc/23/40/47/411234047.db2.gz BLCQDZGVJPXYIR-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H]1CCCO1 ZINC000310330319 411234050 /nfs/dbraw/zinc/23/40/50/411234050.db2.gz BLCQDZGVJPXYIR-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H]1CCCO1 ZINC000310330319 411234052 /nfs/dbraw/zinc/23/40/52/411234052.db2.gz BLCQDZGVJPXYIR-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H](CO)C1CCC1 ZINC000658085514 411235629 /nfs/dbraw/zinc/23/56/29/411235629.db2.gz BDCXKSLYUGGCMZ-JLLWLGSASA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H](CO)C1CCC1 ZINC000658085514 411235632 /nfs/dbraw/zinc/23/56/32/411235632.db2.gz BDCXKSLYUGGCMZ-JLLWLGSASA-N 2 2 212.337 0.687 20 0 BCADLP FCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655764674 411240824 /nfs/dbraw/zinc/24/08/24/411240824.db2.gz OEXMMHIETLDDAD-LLVKDONJSA-N 2 2 216.300 0.799 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C)C1 ZINC000310567395 411241449 /nfs/dbraw/zinc/24/14/49/411241449.db2.gz YCWPPEPBPNUIDK-QWHCGFSZSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C)C1 ZINC000310567395 411241450 /nfs/dbraw/zinc/24/14/50/411241450.db2.gz YCWPPEPBPNUIDK-QWHCGFSZSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](C)C1 ZINC000310567395 411241451 /nfs/dbraw/zinc/24/14/51/411241451.db2.gz YCWPPEPBPNUIDK-QWHCGFSZSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](C)C1 ZINC000310567395 411241452 /nfs/dbraw/zinc/24/14/52/411241452.db2.gz YCWPPEPBPNUIDK-QWHCGFSZSA-N 2 2 244.379 0.657 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000070645691 411271449 /nfs/dbraw/zinc/27/14/49/411271449.db2.gz QVSJMJQUDJMFJU-SECBINFHSA-N 2 2 222.292 0.368 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000070645709 411271568 /nfs/dbraw/zinc/27/15/68/411271568.db2.gz IVXQBNGOCDTYPV-LLVKDONJSA-N 2 2 222.292 0.368 20 0 BCADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@@H](C)C1)C(=O)N(C)C ZINC000401654894 411272704 /nfs/dbraw/zinc/27/27/04/411272704.db2.gz SQTDGZCODUWCRP-GUBZILKMSA-N 2 2 213.325 0.051 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]Cc2ccnn2C)C1 ZINC000401677467 411279764 /nfs/dbraw/zinc/27/97/64/411279764.db2.gz FCKUAFBEIYFVCN-VHSXEESVSA-N 2 2 208.309 0.508 20 0 BCADLP C[C@H]1C[NH2+]C[C@H]([NH2+]Cc2ccnn2C)C1 ZINC000401677464 411279847 /nfs/dbraw/zinc/27/98/47/411279847.db2.gz FCKUAFBEIYFVCN-NXEZZACHSA-N 2 2 208.309 0.508 20 0 BCADLP CC(C)C[C@@H](CO)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000658179047 411283781 /nfs/dbraw/zinc/28/37/81/411283781.db2.gz SXTNGWLDVQRKCE-SRVKXCTJSA-N 2 2 214.353 0.933 20 0 BCADLP CC(C)C[C@@H](CO)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000658179047 411283783 /nfs/dbraw/zinc/28/37/83/411283783.db2.gz SXTNGWLDVQRKCE-SRVKXCTJSA-N 2 2 214.353 0.933 20 0 BCADLP CCN(CC)C(=O)C[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000051889704 411285508 /nfs/dbraw/zinc/28/55/08/411285508.db2.gz QPVSYZMWLLYSSZ-LLVKDONJSA-N 2 2 227.352 0.396 20 0 BCADLP CCN(CC)C(=O)C[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000051889704 411285509 /nfs/dbraw/zinc/28/55/09/411285509.db2.gz QPVSYZMWLLYSSZ-LLVKDONJSA-N 2 2 227.352 0.396 20 0 BCADLP C[C@@H]1C[N@H+](CCNC2=[NH+]CCCN2)[C@@H](C)CO1 ZINC000656508538 411288691 /nfs/dbraw/zinc/28/86/91/411288691.db2.gz KWSHWAWSWFOHEH-WDEREUQCSA-N 2 2 240.351 0.035 20 0 BCADLP C[C@@H]1C[N@@H+](CCNC2=[NH+]CCCN2)[C@@H](C)CO1 ZINC000656508538 411288693 /nfs/dbraw/zinc/28/86/93/411288693.db2.gz KWSHWAWSWFOHEH-WDEREUQCSA-N 2 2 240.351 0.035 20 0 BCADLP CCN(C)C(=O)[C@H](C)[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000401702619 411289582 /nfs/dbraw/zinc/28/95/82/411289582.db2.gz ATRSRWHOSVUMDX-GARJFASQSA-N 2 2 227.352 0.441 20 0 BCADLP Cc1cc[nH+]cc1Cc1nc(C[NH3+])no1 ZINC000656561637 411302397 /nfs/dbraw/zinc/30/23/97/411302397.db2.gz BCUJGCKLBRRYGL-UHFFFAOYSA-N 2 2 204.233 0.823 20 0 BCADLP CC[N@H+](CC[NH3+])CCc1nnn(C(C)(C)C)n1 ZINC000629558586 411324488 /nfs/dbraw/zinc/32/44/88/411324488.db2.gz JUUQKQUVRRIBNI-UHFFFAOYSA-N 2 2 240.355 0.251 20 0 BCADLP CC[N@@H+](CC[NH3+])CCc1nnn(C(C)(C)C)n1 ZINC000629558586 411324491 /nfs/dbraw/zinc/32/44/91/411324491.db2.gz JUUQKQUVRRIBNI-UHFFFAOYSA-N 2 2 240.355 0.251 20 0 BCADLP CN1CCC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629558996 411324568 /nfs/dbraw/zinc/32/45/68/411324568.db2.gz BSKDXALCLPVHSQ-QWHCGFSZSA-N 2 2 241.379 0.127 20 0 BCADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]CCC(N)=O ZINC000656702142 411326447 /nfs/dbraw/zinc/32/64/47/411326447.db2.gz MAVARSVELKPRRC-VIFPVBQESA-N 2 2 213.325 0.324 20 0 BCADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]CCC(N)=O ZINC000656702142 411326450 /nfs/dbraw/zinc/32/64/50/411326450.db2.gz MAVARSVELKPRRC-VIFPVBQESA-N 2 2 213.325 0.324 20 0 BCADLP O[C@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655774414 411257172 /nfs/dbraw/zinc/25/71/72/411257172.db2.gz AZXJWDYIGFSKAN-RWMBFGLXSA-N 2 2 240.347 0.353 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC(=O)N(C)CC1 ZINC000656792248 411373021 /nfs/dbraw/zinc/37/30/21/411373021.db2.gz PZPMHLUGTHXPKO-LLVKDONJSA-N 2 2 227.352 0.524 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC(=O)N(C)CC1 ZINC000656792248 411373023 /nfs/dbraw/zinc/37/30/23/411373023.db2.gz PZPMHLUGTHXPKO-LLVKDONJSA-N 2 2 227.352 0.524 20 0 BCADLP O=C(Nc1ccc2[nH+]ccn2c1)N[C@H]1CC[NH2+]C1 ZINC000658997486 411365907 /nfs/dbraw/zinc/36/59/07/411365907.db2.gz UXWXEPLEMFUGTP-VIFPVBQESA-N 2 2 245.286 0.818 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659005950 411367428 /nfs/dbraw/zinc/36/74/28/411367428.db2.gz YKIMCMFXVPUHEK-UHFFFAOYSA-N 2 2 246.314 0.767 20 0 BCADLP Cn1cc[nH+]c1CNCC1([NH3+])CCCC1 ZINC000656788086 411367386 /nfs/dbraw/zinc/36/73/86/411367386.db2.gz BADJNZNTMRRDFQ-UHFFFAOYSA-N 2 2 208.309 0.781 20 0 BCADLP Cn1ccnc1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788086 411367389 /nfs/dbraw/zinc/36/73/89/411367389.db2.gz BADJNZNTMRRDFQ-UHFFFAOYSA-N 2 2 208.309 0.781 20 0 BCADLP O=C(NCC1C[NH2+]C1)Nc1ccc2[nH+]ccn2c1 ZINC000659052560 411369034 /nfs/dbraw/zinc/36/90/34/411369034.db2.gz XHKBGPGLFLTRGY-UHFFFAOYSA-N 2 2 245.286 0.675 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+](C)C[C@H]1COCCO1 ZINC000656791358 411370833 /nfs/dbraw/zinc/37/08/33/411370833.db2.gz ZHLLBIRZGDZAKU-RYUDHWBXSA-N 2 2 230.352 0.707 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)C[C@H]1COCCO1 ZINC000656791358 411370837 /nfs/dbraw/zinc/37/08/37/411370837.db2.gz ZHLLBIRZGDZAKU-RYUDHWBXSA-N 2 2 230.352 0.707 20 0 BCADLP CC1(C)[C@H](O)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000308818708 168007815 /nfs/dbraw/zinc/00/78/15/168007815.db2.gz FVSQWEJOLIDPFP-SNVBAGLBSA-N 2 2 209.293 0.728 20 0 BCADLP CC1(C)[C@H](O)CC[N@H+]1CCn1cc[nH+]c1 ZINC000308818708 168007816 /nfs/dbraw/zinc/00/78/16/168007816.db2.gz FVSQWEJOLIDPFP-SNVBAGLBSA-N 2 2 209.293 0.728 20 0 BCADLP c1[nH]c(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c[nH+]1 ZINC000662029542 411349070 /nfs/dbraw/zinc/34/90/70/411349070.db2.gz AVVDNTOWHXXORD-VHSXEESVSA-N 2 2 207.277 0.878 20 0 BCADLP c1[nH]c(C[N@H+]2CC[C@H]3COC[C@H]3C2)c[nH+]1 ZINC000662029542 411349073 /nfs/dbraw/zinc/34/90/73/411349073.db2.gz AVVDNTOWHXXORD-VHSXEESVSA-N 2 2 207.277 0.878 20 0 BCADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCc1c[nH]nn1)C2 ZINC000660665840 411376729 /nfs/dbraw/zinc/37/67/29/411376729.db2.gz YDIXWTKQPXLLNT-ZDUSSCGKSA-N 2 2 249.362 0.765 20 0 BCADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCc1c[nH]nn1)C2 ZINC000660665840 411376734 /nfs/dbraw/zinc/37/67/34/411376734.db2.gz YDIXWTKQPXLLNT-ZDUSSCGKSA-N 2 2 249.362 0.765 20 0 BCADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCc1c[nH]nn1)C2 ZINC000660665840 411376737 /nfs/dbraw/zinc/37/67/37/411376737.db2.gz YDIXWTKQPXLLNT-ZDUSSCGKSA-N 2 2 249.362 0.765 20 0 BCADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCc1c[nH]nn1)C2 ZINC000660665840 411376741 /nfs/dbraw/zinc/37/67/41/411376741.db2.gz YDIXWTKQPXLLNT-ZDUSSCGKSA-N 2 2 249.362 0.765 20 0 BCADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCc1cn[nH]n1)C2 ZINC000660665840 411376745 /nfs/dbraw/zinc/37/67/45/411376745.db2.gz YDIXWTKQPXLLNT-ZDUSSCGKSA-N 2 2 249.362 0.765 20 0 BCADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCc1cn[nH]n1)C2 ZINC000660665840 411376750 /nfs/dbraw/zinc/37/67/50/411376750.db2.gz YDIXWTKQPXLLNT-ZDUSSCGKSA-N 2 2 249.362 0.765 20 0 BCADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCc1cn[nH]n1)C2 ZINC000660665840 411376753 /nfs/dbraw/zinc/37/67/53/411376753.db2.gz YDIXWTKQPXLLNT-ZDUSSCGKSA-N 2 2 249.362 0.765 20 0 BCADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCc1cn[nH]n1)C2 ZINC000660665840 411376756 /nfs/dbraw/zinc/37/67/56/411376756.db2.gz YDIXWTKQPXLLNT-ZDUSSCGKSA-N 2 2 249.362 0.765 20 0 BCADLP C[C@@H]1CCC[N@H+](Cc2nncn2C)[C@H]1CC[NH3+] ZINC000404365042 411391930 /nfs/dbraw/zinc/39/19/30/411391930.db2.gz GUEGMLTWSBSLPP-MNOVXSKESA-N 2 2 237.351 0.764 20 0 BCADLP C[C@@H]1CCC[N@@H+](Cc2nncn2C)[C@H]1CC[NH3+] ZINC000404365042 411391932 /nfs/dbraw/zinc/39/19/32/411391932.db2.gz GUEGMLTWSBSLPP-MNOVXSKESA-N 2 2 237.351 0.764 20 0 BCADLP Cc1cc(NC(=O)[C@@H]([NH3+])COC(C)C)cc[nH+]1 ZINC000659263499 411384668 /nfs/dbraw/zinc/38/46/68/411384668.db2.gz CGGNUDNRGOFAQL-NSHDSACASA-N 2 2 237.303 0.503 20 0 BCADLP CCC(C)(C)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000357387342 168285977 /nfs/dbraw/zinc/28/59/77/168285977.db2.gz GDVBRGCYWSCDGE-UHFFFAOYSA-N 2 2 241.379 0.881 20 0 BCADLP CCC(C)(C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000357387342 168285979 /nfs/dbraw/zinc/28/59/79/168285979.db2.gz GDVBRGCYWSCDGE-UHFFFAOYSA-N 2 2 241.379 0.881 20 0 BCADLP CCC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000049282013 168289559 /nfs/dbraw/zinc/28/95/59/168289559.db2.gz LXPJBGSOBISSDC-NSHDSACASA-N 2 2 241.379 0.962 20 0 BCADLP CCC(C)(C)NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000049282013 168289562 /nfs/dbraw/zinc/28/95/62/168289562.db2.gz LXPJBGSOBISSDC-NSHDSACASA-N 2 2 241.379 0.962 20 0 BCADLP C[C@@H]1CCC[N@H+](Cc2ncnn2C)[C@@H]1CC[NH3+] ZINC000404372110 411392237 /nfs/dbraw/zinc/39/22/37/411392237.db2.gz JINLGAOMDGZCPR-GHMZBOCLSA-N 2 2 237.351 0.764 20 0 BCADLP C[C@@H]1CCC[N@@H+](Cc2ncnn2C)[C@@H]1CC[NH3+] ZINC000404372110 411392241 /nfs/dbraw/zinc/39/22/41/411392241.db2.gz JINLGAOMDGZCPR-GHMZBOCLSA-N 2 2 237.351 0.764 20 0 BCADLP C[C@@H]1CCC[N@H+](Cc2cn(C)nn2)[C@@H]1CC[NH3+] ZINC000404382581 411392248 /nfs/dbraw/zinc/39/22/48/411392248.db2.gz NANZHDXOBOXTGE-ZYHUDNBSSA-N 2 2 237.351 0.764 20 0 BCADLP C[C@@H]1CCC[N@@H+](Cc2cn(C)nn2)[C@@H]1CC[NH3+] ZINC000404382581 411392253 /nfs/dbraw/zinc/39/22/53/411392253.db2.gz NANZHDXOBOXTGE-ZYHUDNBSSA-N 2 2 237.351 0.764 20 0 BCADLP CCCN(CC1CC1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653057640 411407734 /nfs/dbraw/zinc/40/77/34/411407734.db2.gz KLBSWYABVWCPDM-LBPRGKRZSA-N 2 2 241.379 0.914 20 0 BCADLP CCC[C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653056856 411407850 /nfs/dbraw/zinc/40/78/50/411407850.db2.gz ATMZGAWSMHGCNT-UWVGGRQHSA-N 2 2 215.341 0.570 20 0 BCADLP C[C@@H]1CCCC[C@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653057585 411408050 /nfs/dbraw/zinc/40/80/50/411408050.db2.gz IOXUEGOSWAOYGD-IJLUTSLNSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@@H]1C[C@@H](C)CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653056465 411408321 /nfs/dbraw/zinc/40/83/21/411408321.db2.gz HTJWPMXHOQDLMV-IJLUTSLNSA-N 2 2 241.379 0.770 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCc2ccccc21 ZINC000653057004 411408351 /nfs/dbraw/zinc/40/83/51/411408351.db2.gz IWSMFBUQXXHAMD-LBPRGKRZSA-N 2 2 247.342 0.855 20 0 BCADLP CCC(CC)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653057163 411408431 /nfs/dbraw/zinc/40/84/31/411408431.db2.gz RKYKEYFYXYKRSZ-JTQLQIEISA-N 2 2 215.341 0.570 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCC(C)(C)C ZINC000653065023 411409849 /nfs/dbraw/zinc/40/98/49/411409849.db2.gz PFTHHQYJKHFAGN-SNVBAGLBSA-N 2 2 229.368 0.818 20 0 BCADLP CC(C)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653069441 411411059 /nfs/dbraw/zinc/41/10/59/411411059.db2.gz NOTOWDPEDVJKJH-RYUDHWBXSA-N 2 2 241.379 0.912 20 0 BCADLP C[C@H](C1CC1)N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653070569 411412783 /nfs/dbraw/zinc/41/27/83/411412783.db2.gz AZHYQPHLYAUQRC-KOLCDFICSA-N 2 2 227.352 0.522 20 0 BCADLP C[NH2+]C[C@@H](C)NC(=O)NCCCn1cc[nH+]c1 ZINC000659424426 411412972 /nfs/dbraw/zinc/41/29/72/411412972.db2.gz VKZRRTVCYBDHFY-SNVBAGLBSA-N 2 2 239.323 0.180 20 0 BCADLP C[C@H](NC(=O)NCCC[NH3+])c1[nH+]ccn1C ZINC000659509265 411424104 /nfs/dbraw/zinc/42/41/04/411424104.db2.gz ANJSZRXLLIMKTI-QMMMGPOBSA-N 2 2 225.296 0.129 20 0 BCADLP CC[N@H+](CC(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000269610802 411424580 /nfs/dbraw/zinc/42/45/80/411424580.db2.gz AYFVBWXTJANFKT-UHFFFAOYSA-N 2 2 236.319 0.521 20 0 BCADLP CC[N@@H+](CC(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000269610802 411424584 /nfs/dbraw/zinc/42/45/84/411424584.db2.gz AYFVBWXTJANFKT-UHFFFAOYSA-N 2 2 236.319 0.521 20 0 BCADLP CC[C@H](O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590564 411427920 /nfs/dbraw/zinc/42/79/20/411427920.db2.gz KXHIVPSTWAKTGU-QWRGUYRKSA-N 2 2 223.320 0.980 20 0 BCADLP CC[C@H](O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590564 411427924 /nfs/dbraw/zinc/42/79/24/411427924.db2.gz KXHIVPSTWAKTGU-QWRGUYRKSA-N 2 2 223.320 0.980 20 0 BCADLP C[C@@H](NC(=O)NC[C@@H](C)C[NH3+])c1[nH+]ccn1C ZINC000659525728 411428150 /nfs/dbraw/zinc/42/81/50/411428150.db2.gz HBEHEFQPYIYTET-DTWKUNHWSA-N 2 2 239.323 0.375 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(F)F)C1 ZINC000653593947 411428908 /nfs/dbraw/zinc/42/89/08/411428908.db2.gz YBPUHPCWTFYXBZ-UWVGGRQHSA-N 2 2 236.306 0.886 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(F)F)C1 ZINC000653593947 411428910 /nfs/dbraw/zinc/42/89/10/411428910.db2.gz YBPUHPCWTFYXBZ-UWVGGRQHSA-N 2 2 236.306 0.886 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000653593947 411428912 /nfs/dbraw/zinc/42/89/12/411428912.db2.gz YBPUHPCWTFYXBZ-UWVGGRQHSA-N 2 2 236.306 0.886 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C(F)F)C1 ZINC000653593947 411428915 /nfs/dbraw/zinc/42/89/15/411428915.db2.gz YBPUHPCWTFYXBZ-UWVGGRQHSA-N 2 2 236.306 0.886 20 0 BCADLP Cc1cnn(CC[N@@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000306036296 411432442 /nfs/dbraw/zinc/43/24/42/411432442.db2.gz MHGSKXJGIDPVHQ-VXGBXAGGSA-N 2 2 238.335 0.240 20 0 BCADLP Cc1cnn(CC[N@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000306036296 411432443 /nfs/dbraw/zinc/43/24/43/411432443.db2.gz MHGSKXJGIDPVHQ-VXGBXAGGSA-N 2 2 238.335 0.240 20 0 BCADLP CCC[C@H]([NH3+])C(=O)NCCNc1cccc[nH+]1 ZINC000272385130 411433574 /nfs/dbraw/zinc/43/35/74/411433574.db2.gz WYGDQGJDQUKWOD-JTQLQIEISA-N 2 2 236.319 0.737 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000659551544 411434704 /nfs/dbraw/zinc/43/47/04/411434704.db2.gz VEFYIUKGAHYZTN-SFYZADRCSA-N 2 2 225.296 0.287 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000659551544 411434706 /nfs/dbraw/zinc/43/47/06/411434706.db2.gz VEFYIUKGAHYZTN-SFYZADRCSA-N 2 2 225.296 0.287 20 0 BCADLP C[NH+]1CCC(CCO)([NH2+]Cc2cn[nH]c2)CC1 ZINC000655790711 411464629 /nfs/dbraw/zinc/46/46/29/411464629.db2.gz GSGGPOGWWZIBLN-UHFFFAOYSA-N 2 2 238.335 0.346 20 0 BCADLP CCO[C@@H]1C[N@H+](Cc2nccs2)C[C@H]1C[NH3+] ZINC000405675512 411437180 /nfs/dbraw/zinc/43/71/80/411437180.db2.gz KZLXXUZEVWEZTQ-NXEZZACHSA-N 2 2 241.360 0.939 20 0 BCADLP CCO[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]1C[NH3+] ZINC000405675512 411437182 /nfs/dbraw/zinc/43/71/82/411437182.db2.gz KZLXXUZEVWEZTQ-NXEZZACHSA-N 2 2 241.360 0.939 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+](C)C1CC(O)C1 ZINC000414760672 411444476 /nfs/dbraw/zinc/44/44/76/411444476.db2.gz YYDBOAGOWYRHLE-WHXUTIOJSA-N 2 2 200.326 0.815 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)C1CC(O)C1 ZINC000414760672 411444480 /nfs/dbraw/zinc/44/44/80/411444480.db2.gz YYDBOAGOWYRHLE-WHXUTIOJSA-N 2 2 200.326 0.815 20 0 BCADLP C[NH+](C)CCC[NH2+]Cc1cnn2c1CCC2 ZINC000657287718 411447204 /nfs/dbraw/zinc/44/72/04/411447204.db2.gz TWOAUMCTGRBVDS-UHFFFAOYSA-N 2 2 222.336 0.871 20 0 BCADLP CC[NH2+]CC[NH2+]Cc1ccc2c(c1)nnn2C ZINC000414831481 411449428 /nfs/dbraw/zinc/44/94/28/411449428.db2.gz PRMUFMAKWYRPNG-UHFFFAOYSA-N 2 2 233.319 0.667 20 0 BCADLP CC(C)(C)n1nnc(C[NH2+]CCn2cc[nH+]c2)n1 ZINC000657288737 411450904 /nfs/dbraw/zinc/45/09/04/411450904.db2.gz JJKMSAITKIFBAD-UHFFFAOYSA-N 2 2 249.322 0.414 20 0 BCADLP c1c[nH+]c(N2CC[NH+]([C@H]3CCCOC3)CC2)[nH]1 ZINC000653644659 411452474 /nfs/dbraw/zinc/45/24/74/411452474.db2.gz CQSLEFMDMBYNJD-NSHDSACASA-N 2 2 236.319 0.711 20 0 BCADLP CC1(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)COC1 ZINC000653645974 411452562 /nfs/dbraw/zinc/45/25/62/411452562.db2.gz GTZQALGZWZCXSG-UHFFFAOYSA-N 2 2 236.319 0.568 20 0 BCADLP CCOCC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000126720226 411453319 /nfs/dbraw/zinc/45/33/19/411453319.db2.gz JIYXXBVAMRZGLE-ZJUUUORDSA-N 2 2 202.298 0.071 20 0 BCADLP CCOCC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000126720226 411453320 /nfs/dbraw/zinc/45/33/20/411453320.db2.gz JIYXXBVAMRZGLE-ZJUUUORDSA-N 2 2 202.298 0.071 20 0 BCADLP CCNC(=O)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657292755 411453458 /nfs/dbraw/zinc/45/34/58/411453458.db2.gz RVTCUOYTOGTXQF-UHFFFAOYSA-N 2 2 222.292 0.055 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657336363 411472134 /nfs/dbraw/zinc/47/21/34/411472134.db2.gz QVCJLIFXQUKTJO-JTQLQIEISA-N 2 2 246.318 0.599 20 0 BCADLP C[NH+](C)C1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000659839594 411472384 /nfs/dbraw/zinc/47/23/84/411472384.db2.gz XIUHJHSJGHEQFW-UHFFFAOYSA-N 2 2 223.324 0.373 20 0 BCADLP Cc1[nH+]cc(CNC[C@@H](C)[NH+](C)C)n1C ZINC000657347945 411475016 /nfs/dbraw/zinc/47/50/16/411475016.db2.gz HXMPJBUTPQJCEA-SECBINFHSA-N 2 2 210.325 0.768 20 0 BCADLP C[C@H](CNCc1c[nH+]c2n1CCC2)[NH+](C)C ZINC000657348223 411475280 /nfs/dbraw/zinc/47/52/80/411475280.db2.gz OLCIJLXCTJETIL-SNVBAGLBSA-N 2 2 222.336 0.869 20 0 BCADLP C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000407262490 411476690 /nfs/dbraw/zinc/47/66/90/411476690.db2.gz LCCPPZMQZVXVHZ-NWDGAFQWSA-N 2 2 237.347 0.291 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407311550 411478955 /nfs/dbraw/zinc/47/89/55/411478955.db2.gz QWBFKEPOBVGSRQ-GHMZBOCLSA-N 2 2 248.330 0.567 20 0 BCADLP O=C(NCc1c[nH+]c[nH]1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407307640 411478969 /nfs/dbraw/zinc/47/89/69/411478969.db2.gz PEFMPCPMQRUXAN-WDEREUQCSA-N 2 2 234.303 0.557 20 0 BCADLP O=C(NCc1c[nH]c[nH+]1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407307640 411478971 /nfs/dbraw/zinc/47/89/71/411478971.db2.gz PEFMPCPMQRUXAN-WDEREUQCSA-N 2 2 234.303 0.557 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H]2CC(=O)N(C3CC3)C2)n1C ZINC000657387989 411490240 /nfs/dbraw/zinc/49/02/40/411490240.db2.gz ZKTOHMIFCUBZGR-JTQLQIEISA-N 2 2 248.330 0.581 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CSC[NH2+]1 ZINC000070819154 411533726 /nfs/dbraw/zinc/53/37/26/411533726.db2.gz DLVBDHQCHJZCKL-SSDOTTSWSA-N 2 2 226.305 0.031 20 0 BCADLP COC[C@](C)(CO)[NH2+]Cc1c[nH+]c(C)n1C ZINC000657389061 411491769 /nfs/dbraw/zinc/49/17/69/411491769.db2.gz JIWXDVQXOQUEGV-NSHDSACASA-N 2 2 227.308 0.216 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCCNC2=O)n1C ZINC000657489956 411533982 /nfs/dbraw/zinc/53/39/82/411533982.db2.gz CPPSHYYEKDORCZ-SNVBAGLBSA-N 2 2 236.319 0.344 20 0 BCADLP O[C@@]1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCOC1 ZINC000657417768 411501130 /nfs/dbraw/zinc/50/11/30/411501130.db2.gz XBLHFKDFZFKFSV-GFCCVEGCSA-N 2 2 237.303 0.070 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806244 411520762 /nfs/dbraw/zinc/52/07/62/411520762.db2.gz SIBDIQIARPEBPU-WUHRBBMRSA-N 3 2 225.380 0.866 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806244 411520765 /nfs/dbraw/zinc/52/07/65/411520765.db2.gz SIBDIQIARPEBPU-WUHRBBMRSA-N 3 2 225.380 0.866 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000655829613 411530606 /nfs/dbraw/zinc/53/06/06/411530606.db2.gz NURAJSNHKBDCHS-FOGDFJRCSA-N 2 2 249.362 0.212 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000655829613 411530608 /nfs/dbraw/zinc/53/06/08/411530608.db2.gz NURAJSNHKBDCHS-FOGDFJRCSA-N 2 2 249.362 0.212 20 0 BCADLP c1cnn(CC[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657324363 411464869 /nfs/dbraw/zinc/46/48/69/411464869.db2.gz ZYZUNQODYIJSDE-UHFFFAOYSA-N 2 2 231.303 0.816 20 0 BCADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2nccn2C)C1 ZINC000037484369 170007956 /nfs/dbraw/zinc/00/79/56/170007956.db2.gz QCTBEUIODIOXNP-NSHDSACASA-N 2 2 222.336 0.852 20 0 BCADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2nccn2C)C1 ZINC000037484369 170007957 /nfs/dbraw/zinc/00/79/57/170007957.db2.gz QCTBEUIODIOXNP-NSHDSACASA-N 2 2 222.336 0.852 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(N)=O)C[C@@H]1C ZINC000354225655 170009576 /nfs/dbraw/zinc/00/95/76/170009576.db2.gz SMEDKQXWJASUSU-VHSXEESVSA-N 2 2 213.325 0.276 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(N)=O)C[C@@H]1C ZINC000354225655 170009578 /nfs/dbraw/zinc/00/95/78/170009578.db2.gz SMEDKQXWJASUSU-VHSXEESVSA-N 2 2 213.325 0.276 20 0 BCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(N)=O)C[C@@H]1C ZINC000354225655 170009579 /nfs/dbraw/zinc/00/95/79/170009579.db2.gz SMEDKQXWJASUSU-VHSXEESVSA-N 2 2 213.325 0.276 20 0 BCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(N)=O)C[C@@H]1C ZINC000354225655 170009580 /nfs/dbraw/zinc/00/95/80/170009580.db2.gz SMEDKQXWJASUSU-VHSXEESVSA-N 2 2 213.325 0.276 20 0 BCADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccn(C)n2)C1 ZINC000112341470 170017022 /nfs/dbraw/zinc/01/70/22/170017022.db2.gz ZRJHVSZKXKFYRL-LLVKDONJSA-N 2 2 222.336 0.852 20 0 BCADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccn(C)n2)C1 ZINC000112341470 170017023 /nfs/dbraw/zinc/01/70/23/170017023.db2.gz ZRJHVSZKXKFYRL-LLVKDONJSA-N 2 2 222.336 0.852 20 0 BCADLP CO[C@@](C)(CO)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000657505561 411539923 /nfs/dbraw/zinc/53/99/23/411539923.db2.gz RGLAOGSDNPMZKS-LLVKDONJSA-N 2 2 227.308 0.216 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCn2cccn2)C1 ZINC000309494845 170031275 /nfs/dbraw/zinc/03/12/75/170031275.db2.gz YDJQAZRMAYMCHU-VXGBXAGGSA-N 2 2 222.336 0.813 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCn2cccn2)C1 ZINC000309494845 170031276 /nfs/dbraw/zinc/03/12/76/170031276.db2.gz YDJQAZRMAYMCHU-VXGBXAGGSA-N 2 2 222.336 0.813 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]C[C@H](C)CCO)[C@@H](C)C1 ZINC000309042704 170034776 /nfs/dbraw/zinc/03/47/76/170034776.db2.gz MDQSBYCBLSNUOP-WOPDTQHZSA-N 2 2 214.353 0.935 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H](C)CCO)[C@@H](C)C1 ZINC000309042704 170034777 /nfs/dbraw/zinc/03/47/77/170034777.db2.gz MDQSBYCBLSNUOP-WOPDTQHZSA-N 2 2 214.353 0.935 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H](CO)C2CC2)[C@@H](C)C1 ZINC000309980761 170035214 /nfs/dbraw/zinc/03/52/14/170035214.db2.gz WBIIGFDAYHZGTG-DRZSPHRISA-N 2 2 226.364 0.935 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CCC(=O)NC(C)C)[C@@H](C)C1 ZINC000358003526 170035298 /nfs/dbraw/zinc/03/52/98/170035298.db2.gz IRORQXPMWNZAOT-RYUDHWBXSA-N 2 2 241.379 0.831 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]C[C@@]2(O)CCOC2)[C@@H](C)C1 ZINC000336675388 170035509 /nfs/dbraw/zinc/03/55/09/170035509.db2.gz AZYDQSWTEFPSLP-SRVKXCTJSA-N 2 2 228.336 0.068 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@]2(O)CCOC2)[C@@H](C)C1 ZINC000336675388 170035512 /nfs/dbraw/zinc/03/55/12/170035512.db2.gz AZYDQSWTEFPSLP-SRVKXCTJSA-N 2 2 228.336 0.068 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CC[C@H](C)O)[C@@H](C)C1 ZINC000336662176 170035518 /nfs/dbraw/zinc/03/55/18/170035518.db2.gz SXEVONCYGYLIAU-DCAQKATOSA-N 2 2 200.326 0.687 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+][C@@H](CO)CCOC)[C@@H](C)C1 ZINC000309919496 170036536 /nfs/dbraw/zinc/03/65/36/170036536.db2.gz REISMZCEDAODBI-TUAOUCFPSA-N 2 2 230.352 0.314 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](CO)CCOC)[C@@H](C)C1 ZINC000309919496 170036538 /nfs/dbraw/zinc/03/65/38/170036538.db2.gz REISMZCEDAODBI-TUAOUCFPSA-N 2 2 230.352 0.314 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC000358236815 170037920 /nfs/dbraw/zinc/03/79/20/170037920.db2.gz ULZAJJVMFKKCMD-CMPLNLGQSA-N 2 2 239.363 0.442 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC000358236815 170037922 /nfs/dbraw/zinc/03/79/22/170037922.db2.gz ULZAJJVMFKKCMD-CMPLNLGQSA-N 2 2 239.363 0.442 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)C1 ZINC000340413871 170038756 /nfs/dbraw/zinc/03/87/56/170038756.db2.gz FDWBNJMVHBFZQO-QNWHQSFQSA-N 2 2 242.363 0.456 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)C1 ZINC000340413871 170038757 /nfs/dbraw/zinc/03/87/57/170038757.db2.gz FDWBNJMVHBFZQO-QNWHQSFQSA-N 2 2 242.363 0.456 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2COCCO2)C1 ZINC000309921535 170038765 /nfs/dbraw/zinc/03/87/65/170038765.db2.gz SJICLQWEWGJNGZ-QJPTWQEYSA-N 2 2 228.336 0.332 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2COCCO2)C1 ZINC000309921535 170038766 /nfs/dbraw/zinc/03/87/66/170038766.db2.gz SJICLQWEWGJNGZ-QJPTWQEYSA-N 2 2 228.336 0.332 20 0 BCADLP CCNC(=O)C[NH2+]C1CC[NH+](CC)CC1 ZINC000035135909 170064726 /nfs/dbraw/zinc/06/47/26/170064726.db2.gz QVBMIOLUOXBCTD-UHFFFAOYSA-N 2 2 213.325 0.196 20 0 BCADLP CCNC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000309014973 170066010 /nfs/dbraw/zinc/06/60/10/170066010.db2.gz UAIGEEJVLWRNTL-SNVBAGLBSA-N 2 2 201.314 0.086 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CC[C@@]2(O)CCOC2)n1C ZINC000657499800 411536185 /nfs/dbraw/zinc/53/61/85/411536185.db2.gz DSHCEMKSKPJRAY-GFCCVEGCSA-N 2 2 239.319 0.360 20 0 BCADLP OC[C@H](CCF)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657502491 411538206 /nfs/dbraw/zinc/53/82/06/411538206.db2.gz LWZITPSHBFENGM-VIFPVBQESA-N 2 2 227.283 0.639 20 0 BCADLP CC[NH2+]CCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000236921615 170114992 /nfs/dbraw/zinc/11/49/92/170114992.db2.gz KVDGRASCVNGZCR-UHFFFAOYSA-N 2 2 246.314 0.603 20 0 BCADLP COC[C@@H](CC[NH2+]Cc1c[nH+]c(C)n1C)OC ZINC000657555519 411549555 /nfs/dbraw/zinc/54/95/55/411549555.db2.gz VQPUEQXEVUFKCZ-GFCCVEGCSA-N 2 2 241.335 0.870 20 0 BCADLP CCOC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000069721237 170219475 /nfs/dbraw/zinc/21/94/75/170219475.db2.gz ZNHFUHOTWDOCQR-JTQLQIEISA-N 2 2 214.309 0.753 20 0 BCADLP CCOC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000069721237 170219476 /nfs/dbraw/zinc/21/94/76/170219476.db2.gz ZNHFUHOTWDOCQR-JTQLQIEISA-N 2 2 214.309 0.753 20 0 BCADLP CCOC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000371085927 170220348 /nfs/dbraw/zinc/22/03/48/170220348.db2.gz HUGCPJREMUDKHR-SNVBAGLBSA-N 2 2 237.303 0.773 20 0 BCADLP CCOC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000371085927 170220350 /nfs/dbraw/zinc/22/03/50/170220350.db2.gz HUGCPJREMUDKHR-SNVBAGLBSA-N 2 2 237.303 0.773 20 0 BCADLP CN(C)c1cc[nH+]cc1C[NH2+]C/C=C/CO ZINC000657592709 411556585 /nfs/dbraw/zinc/55/65/85/411556585.db2.gz AKIUJCMLBQSUDS-ONEGZZNKSA-N 2 2 221.304 0.786 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+](C)CCn1cc[nH+]c1 ZINC000346276627 170265819 /nfs/dbraw/zinc/26/58/19/170265819.db2.gz LPOGDUWCFKCILG-JTQLQIEISA-N 2 2 225.292 0.767 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+](C)CCn1cc[nH+]c1 ZINC000346276627 170265820 /nfs/dbraw/zinc/26/58/20/170265820.db2.gz LPOGDUWCFKCILG-JTQLQIEISA-N 2 2 225.292 0.767 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)C1CC(O)C1 ZINC000660279246 411564911 /nfs/dbraw/zinc/56/49/11/411564911.db2.gz SWAAWDYLUDVPPQ-MCIGGMRASA-N 2 2 230.352 0.143 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC(O)C1 ZINC000660279246 411564913 /nfs/dbraw/zinc/56/49/13/411564913.db2.gz SWAAWDYLUDVPPQ-MCIGGMRASA-N 2 2 230.352 0.143 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)C1CC(O)C1 ZINC000660279246 411564914 /nfs/dbraw/zinc/56/49/14/411564914.db2.gz SWAAWDYLUDVPPQ-MCIGGMRASA-N 2 2 230.352 0.143 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC(O)C1 ZINC000660279246 411564916 /nfs/dbraw/zinc/56/49/16/411564916.db2.gz SWAAWDYLUDVPPQ-MCIGGMRASA-N 2 2 230.352 0.143 20 0 BCADLP CCOC1CC([NH2+]C[C@H]2C[N@H+](C)CCN2C)C1 ZINC000124477599 170329081 /nfs/dbraw/zinc/32/90/81/170329081.db2.gz IWHINCAZLVMBCO-CPCZMJQVSA-N 2 2 241.379 0.389 20 0 BCADLP CCOC1CC([NH2+]C[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000124477599 170329083 /nfs/dbraw/zinc/32/90/83/170329083.db2.gz IWHINCAZLVMBCO-CPCZMJQVSA-N 2 2 241.379 0.389 20 0 BCADLP CCOCCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336646896 170383243 /nfs/dbraw/zinc/38/32/43/170383243.db2.gz DILVSPICPKGJDC-QWRGUYRKSA-N 2 2 200.326 0.953 20 0 BCADLP CCOCCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336646896 170383244 /nfs/dbraw/zinc/38/32/44/170383244.db2.gz DILVSPICPKGJDC-QWRGUYRKSA-N 2 2 200.326 0.953 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000657707946 411585217 /nfs/dbraw/zinc/58/52/17/411585217.db2.gz WKAMVIRTCWVQQS-NOOOWODRSA-N 2 2 224.348 0.830 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000657707946 411585218 /nfs/dbraw/zinc/58/52/18/411585218.db2.gz WKAMVIRTCWVQQS-NOOOWODRSA-N 2 2 224.348 0.830 20 0 BCADLP Cc1cncc(CC[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC000657712491 411585657 /nfs/dbraw/zinc/58/56/57/411585657.db2.gz WFVFOMSRISXICB-GXFFZTMASA-N 2 2 234.347 0.867 20 0 BCADLP Cc1cncc(CC[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC000657712491 411585659 /nfs/dbraw/zinc/58/56/59/411585659.db2.gz WFVFOMSRISXICB-GXFFZTMASA-N 2 2 234.347 0.867 20 0 BCADLP Cc1cncc(CC[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC000657712489 411585724 /nfs/dbraw/zinc/58/57/24/411585724.db2.gz WFVFOMSRISXICB-GWCFXTLKSA-N 2 2 234.347 0.867 20 0 BCADLP Cc1cncc(CC[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC000657712489 411585726 /nfs/dbraw/zinc/58/57/26/411585726.db2.gz WFVFOMSRISXICB-GWCFXTLKSA-N 2 2 234.347 0.867 20 0 BCADLP Cn1ccc(C[N@@H+]2CCn3c[nH+]cc3C2)cc1=O ZINC000660580516 411602620 /nfs/dbraw/zinc/60/26/20/411602620.db2.gz PMDLHDCDTFCHPW-UHFFFAOYSA-N 2 2 244.298 0.598 20 0 BCADLP Cn1ccc(C[N@H+]2CCn3c[nH+]cc3C2)cc1=O ZINC000660580516 411602621 /nfs/dbraw/zinc/60/26/21/411602621.db2.gz PMDLHDCDTFCHPW-UHFFFAOYSA-N 2 2 244.298 0.598 20 0 BCADLP CC(C)NC(=O)CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660578358 411603263 /nfs/dbraw/zinc/60/32/63/411603263.db2.gz LRTFGCPUFWSBSX-UHFFFAOYSA-N 2 2 236.319 0.613 20 0 BCADLP CC(C)NC(=O)CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000660578358 411603264 /nfs/dbraw/zinc/60/32/64/411603264.db2.gz LRTFGCPUFWSBSX-UHFFFAOYSA-N 2 2 236.319 0.613 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+]CC[NH+]1CCCC1 ZINC000657826136 411608276 /nfs/dbraw/zinc/60/82/76/411608276.db2.gz SEIBGAZCAXPJFH-NSHDSACASA-N 2 2 223.324 0.352 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+]CC[NH+]1CCCC1 ZINC000657826134 411608532 /nfs/dbraw/zinc/60/85/32/411608532.db2.gz SEIBGAZCAXPJFH-LLVKDONJSA-N 2 2 223.324 0.352 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660661183 411614054 /nfs/dbraw/zinc/61/40/54/411614054.db2.gz ZBORXVNXWOBIIB-AAEUAGOBSA-N 2 2 239.363 0.668 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660661183 411614056 /nfs/dbraw/zinc/61/40/56/411614056.db2.gz ZBORXVNXWOBIIB-AAEUAGOBSA-N 2 2 239.363 0.668 20 0 BCADLP CC[C@@H](C(N)=O)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660661183 411614058 /nfs/dbraw/zinc/61/40/58/411614058.db2.gz ZBORXVNXWOBIIB-AAEUAGOBSA-N 2 2 239.363 0.668 20 0 BCADLP CC[C@@H](C(N)=O)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660661183 411614059 /nfs/dbraw/zinc/61/40/59/411614059.db2.gz ZBORXVNXWOBIIB-AAEUAGOBSA-N 2 2 239.363 0.668 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660661188 411614290 /nfs/dbraw/zinc/61/42/90/411614290.db2.gz ZBORXVNXWOBIIB-YPMHNXCESA-N 2 2 239.363 0.668 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660661188 411614292 /nfs/dbraw/zinc/61/42/92/411614292.db2.gz ZBORXVNXWOBIIB-YPMHNXCESA-N 2 2 239.363 0.668 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660661188 411614293 /nfs/dbraw/zinc/61/42/93/411614293.db2.gz ZBORXVNXWOBIIB-YPMHNXCESA-N 2 2 239.363 0.668 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660661188 411614295 /nfs/dbraw/zinc/61/42/95/411614295.db2.gz ZBORXVNXWOBIIB-YPMHNXCESA-N 2 2 239.363 0.668 20 0 BCADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1CCNC1=O)C2 ZINC000660657458 411615125 /nfs/dbraw/zinc/61/51/25/411615125.db2.gz QGBFBGFQXRANNN-DGCLKSJQSA-N 2 2 237.347 0.293 20 0 BCADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1CCNC1=O)C2 ZINC000660657458 411615128 /nfs/dbraw/zinc/61/51/28/411615128.db2.gz QGBFBGFQXRANNN-DGCLKSJQSA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@@H]1CCNC1=O)C2 ZINC000660657458 411615130 /nfs/dbraw/zinc/61/51/30/411615130.db2.gz QGBFBGFQXRANNN-DGCLKSJQSA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@@H]1CCNC1=O)C2 ZINC000660657458 411615131 /nfs/dbraw/zinc/61/51/31/411615131.db2.gz QGBFBGFQXRANNN-DGCLKSJQSA-N 2 2 237.347 0.293 20 0 BCADLP CC(C)C[NH2+]C1(CO)CC[NH+](CCO)CC1 ZINC000660695864 411618109 /nfs/dbraw/zinc/61/81/09/411618109.db2.gz VMSOIRUZTUTGBI-UHFFFAOYSA-N 2 2 230.352 0.051 20 0 BCADLP Cc1cc(NC(=O)N[C@]2(C)CC[NH2+]C2)c(C)c[nH+]1 ZINC000663589238 411706373 /nfs/dbraw/zinc/70/63/73/411706373.db2.gz CIOCARAZJFHVLD-CYBMUJFWSA-N 2 2 248.330 0.994 20 0 BCADLP C[NH2+]CCC[NH2+]Cc1nc2c(s1)C[NH2+]CC2 ZINC000663494059 411673347 /nfs/dbraw/zinc/67/33/47/411673347.db2.gz LNWKVADGAINUPG-UHFFFAOYSA-N 3 2 240.376 0.488 20 0 BCADLP C([NH+]1CCC2(CC[NH2+]2)CC1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663497016 411679130 /nfs/dbraw/zinc/67/91/30/411679130.db2.gz KTUYXLBLCSFFGF-NWDGAFQWSA-N 3 2 221.348 0.424 20 0 BCADLP CC(C)[C@H]([NH3+])CC[NH2+]Cc1nccn1C ZINC000663498547 411681492 /nfs/dbraw/zinc/68/14/92/411681492.db2.gz PMAIXYQJBRGJOI-SNVBAGLBSA-N 2 2 210.325 0.883 20 0 BCADLP CCc1nn(C)cc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663499501 411684484 /nfs/dbraw/zinc/68/44/84/411684484.db2.gz XAQJBMSEQQNJMN-UHFFFAOYSA-N 2 2 234.347 0.824 20 0 BCADLP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC000663502210 411685503 /nfs/dbraw/zinc/68/55/03/411685503.db2.gz FLXNYSWFMYLICF-IJLUTSLNSA-N 3 2 213.369 0.947 20 0 BCADLP NC(=O)c1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663502306 411686554 /nfs/dbraw/zinc/68/65/54/411686554.db2.gz SHBAOZBDAMMVOM-UHFFFAOYSA-N 2 2 245.326 0.627 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000663508069 411689381 /nfs/dbraw/zinc/68/93/81/411689381.db2.gz HSUBWDSYXXARDW-LLVKDONJSA-N 2 2 245.330 0.965 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000663508410 411689574 /nfs/dbraw/zinc/68/95/74/411689574.db2.gz PTEYPFQSJIHSIT-VIFPVBQESA-N 2 2 221.304 0.483 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+]Cc1cnn(CCOC)c1 ZINC000663509549 411693118 /nfs/dbraw/zinc/69/31/18/411693118.db2.gz ZQCBNRPJUOUVME-JTQLQIEISA-N 2 2 226.324 0.227 20 0 BCADLP CCc1cc(N[C@H](CO)C[NH+](C)C)nc(C)[nH+]1 ZINC000663910945 411771574 /nfs/dbraw/zinc/77/15/74/411771574.db2.gz SIKXPGJXCZZBFV-NSHDSACASA-N 2 2 238.335 0.682 20 0 BCADLP CCc1nc(N[C@H](CO)C[NH+](C)C)cc(C)[nH+]1 ZINC000663910662 411771670 /nfs/dbraw/zinc/77/16/70/411771670.db2.gz LQINXGAQLLMICG-JTQLQIEISA-N 2 2 238.335 0.682 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)CC1=CCCOC1 ZINC000661654528 411830939 /nfs/dbraw/zinc/83/09/39/411830939.db2.gz ZSKGLHXOGGFDSJ-ZDUSSCGKSA-N 2 2 242.363 0.578 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CC1=CCCOC1 ZINC000661654528 411830941 /nfs/dbraw/zinc/83/09/41/411830941.db2.gz ZSKGLHXOGGFDSJ-ZDUSSCGKSA-N 2 2 242.363 0.578 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CC1=CCCOC1 ZINC000661654528 411830942 /nfs/dbraw/zinc/83/09/42/411830942.db2.gz ZSKGLHXOGGFDSJ-ZDUSSCGKSA-N 2 2 242.363 0.578 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CC1=CCCOC1 ZINC000661654528 411830945 /nfs/dbraw/zinc/83/09/45/411830945.db2.gz ZSKGLHXOGGFDSJ-ZDUSSCGKSA-N 2 2 242.363 0.578 20 0 BCADLP CC1(C)C[NH2+][C@@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000644084518 411889010 /nfs/dbraw/zinc/88/90/10/411889010.db2.gz YSSYMOTYVCFOFH-SECBINFHSA-N 2 2 220.276 0.600 20 0 BCADLP C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cc[nH+]c(N)c1 ZINC000647958672 411900421 /nfs/dbraw/zinc/90/04/21/411900421.db2.gz VJHTTXNJZMMRPO-QWRGUYRKSA-N 2 2 238.310 0.796 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccnc(N)c1 ZINC000420357054 411907555 /nfs/dbraw/zinc/90/75/55/411907555.db2.gz DCUPSVMUVMSLGE-GIPNMCIBSA-N 2 2 234.347 1.140 20 0 BCADLP C[C@@H]1CC[C@H]([NH2+]Cc2cnc(N)s2)C[NH2+]1 ZINC000629660116 411907693 /nfs/dbraw/zinc/90/76/93/411907693.db2.gz NXXVBUCZSCWUBI-SFYZADRCSA-N 2 2 226.349 0.955 20 0 BCADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N)nc2)C[NH2+]1 ZINC000629660039 411908024 /nfs/dbraw/zinc/90/80/24/411908024.db2.gz MMBJZVGNFDJGPR-KOLCDFICSA-N 2 2 220.320 0.894 20 0 BCADLP C[C@@H]1[C@H](C)[NH2+]CCN1Cc1cc[nH+]c(N)c1 ZINC000420306405 411914903 /nfs/dbraw/zinc/91/49/03/411914903.db2.gz HICUQBSDWJBLNK-VHSXEESVSA-N 2 2 220.320 0.846 20 0 BCADLP Cc1cc(CO)cc(N(C)CC2C[NH+](C)C2)[nH+]1 ZINC000664331135 411923552 /nfs/dbraw/zinc/92/35/52/411923552.db2.gz UUXOYSYEISDPRM-UHFFFAOYSA-N 2 2 235.331 0.880 20 0 BCADLP C[C@H]1CN(Cc2cc[nH+]c(N)c2)CC[NH2+]1 ZINC000420283235 411930878 /nfs/dbraw/zinc/93/08/78/411930878.db2.gz BSICFHQKRDZTFR-VIFPVBQESA-N 2 2 206.293 0.458 20 0 BCADLP Nc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccn1 ZINC000564986171 411941569 /nfs/dbraw/zinc/94/15/69/411941569.db2.gz HHFKFAMVFVSPJL-VXGBXAGGSA-N 2 2 232.331 0.848 20 0 BCADLP Nc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccn1 ZINC000564986171 411941574 /nfs/dbraw/zinc/94/15/74/411941574.db2.gz HHFKFAMVFVSPJL-VXGBXAGGSA-N 2 2 232.331 0.848 20 0 BCADLP C[N@H+](Cc1ccc(N)nc1)C1(C[NH3+])CCC1 ZINC000647545189 411881938 /nfs/dbraw/zinc/88/19/38/411881938.db2.gz SUAISNAFOQPTSQ-UHFFFAOYSA-N 2 2 220.320 0.977 20 0 BCADLP C[N@@H+](Cc1ccc(N)nc1)C1(C[NH3+])CCC1 ZINC000647545189 411881942 /nfs/dbraw/zinc/88/19/42/411881942.db2.gz SUAISNAFOQPTSQ-UHFFFAOYSA-N 2 2 220.320 0.977 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1CCC2(COC2)C1)C1CC1 ZINC000662072150 411972147 /nfs/dbraw/zinc/97/21/47/411972147.db2.gz CFPVSVMRBUCKCU-LBPRGKRZSA-N 2 2 240.347 0.164 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC2(COC2)C1)C1CC1 ZINC000662072150 411972154 /nfs/dbraw/zinc/97/21/54/411972154.db2.gz CFPVSVMRBUCKCU-LBPRGKRZSA-N 2 2 240.347 0.164 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC2(COC2)C1)C1CC1 ZINC000662072150 411972158 /nfs/dbraw/zinc/97/21/58/411972158.db2.gz CFPVSVMRBUCKCU-LBPRGKRZSA-N 2 2 240.347 0.164 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+]1CCC2(COC2)C1)C1CC1 ZINC000662072150 411972163 /nfs/dbraw/zinc/97/21/63/411972163.db2.gz CFPVSVMRBUCKCU-LBPRGKRZSA-N 2 2 240.347 0.164 20 0 BCADLP Nc1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cn1 ZINC000647551681 411977205 /nfs/dbraw/zinc/97/72/05/411977205.db2.gz BWGXIXQYFWARAY-LLVKDONJSA-N 2 2 236.319 0.213 20 0 BCADLP Nc1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cn1 ZINC000647551681 411977208 /nfs/dbraw/zinc/97/72/08/411977208.db2.gz BWGXIXQYFWARAY-LLVKDONJSA-N 2 2 236.319 0.213 20 0 BCADLP CCOCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152526 412009877 /nfs/dbraw/zinc/00/98/77/412009877.db2.gz UXOSTMVYPRFCNZ-CYBMUJFWSA-N 2 2 242.363 0.554 20 0 BCADLP CCOCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152526 412009879 /nfs/dbraw/zinc/00/98/79/412009879.db2.gz UXOSTMVYPRFCNZ-CYBMUJFWSA-N 2 2 242.363 0.554 20 0 BCADLP Cn1c[nH+]cc1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662038817 411955963 /nfs/dbraw/zinc/95/59/63/411955963.db2.gz TXJOLOGUZJGHHP-WDEREUQCSA-N 2 2 221.304 0.888 20 0 BCADLP Cn1c[nH+]cc1C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662038817 411955967 /nfs/dbraw/zinc/95/59/67/411955967.db2.gz TXJOLOGUZJGHHP-WDEREUQCSA-N 2 2 221.304 0.888 20 0 BCADLP Nc1ncc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000566230325 411959302 /nfs/dbraw/zinc/95/93/02/411959302.db2.gz CWMXQMQPURSWON-LLVKDONJSA-N 2 2 238.360 0.911 20 0 BCADLP Nc1ncc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000566230325 411959307 /nfs/dbraw/zinc/95/93/07/411959307.db2.gz CWMXQMQPURSWON-LLVKDONJSA-N 2 2 238.360 0.911 20 0 BCADLP Nc1ccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)c[nH+]1 ZINC000662410683 411961070 /nfs/dbraw/zinc/96/10/70/411961070.db2.gz 2 2 206.249 0.340 20 0 BCADLP Nc1ncc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)s1 ZINC000647547758 411963220 /nfs/dbraw/zinc/96/32/20/411963220.db2.gz CENDZGWQGCMJNO-BQBZGAKWSA-N 2 2 230.312 0.515 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662245115 412042037 /nfs/dbraw/zinc/04/20/37/412042037.db2.gz KOEIUCSQBFPCBY-NWDGAFQWSA-N 3 2 239.363 0.191 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000662255272 412050960 /nfs/dbraw/zinc/05/09/60/412050960.db2.gz XFTRTTOELHKVAW-QJPTWQEYSA-N 2 2 228.336 0.474 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000662255272 412050962 /nfs/dbraw/zinc/05/09/62/412050962.db2.gz XFTRTTOELHKVAW-QJPTWQEYSA-N 2 2 228.336 0.474 20 0 BCADLP CC(C)CO[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662259545 412052835 /nfs/dbraw/zinc/05/28/35/412052835.db2.gz YQXOTAIRBKFNAP-OLZOCXBDSA-N 2 2 242.363 0.722 20 0 BCADLP CC(C)CO[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662259545 412052838 /nfs/dbraw/zinc/05/28/38/412052838.db2.gz YQXOTAIRBKFNAP-OLZOCXBDSA-N 2 2 242.363 0.722 20 0 BCADLP CC(C)(C)C[N@H+](CCO)C[C@@H]1C[NH2+]CCO1 ZINC000662258787 412054621 /nfs/dbraw/zinc/05/46/21/412054621.db2.gz XPTFHEPTEFZDTG-NSHDSACASA-N 2 2 230.352 0.315 20 0 BCADLP CC(C)(C)C[N@@H+](CCO)C[C@@H]1C[NH2+]CCO1 ZINC000662258787 412054625 /nfs/dbraw/zinc/05/46/25/412054625.db2.gz XPTFHEPTEFZDTG-NSHDSACASA-N 2 2 230.352 0.315 20 0 BCADLP CC[C@@H]1C[N@H+](CCn2cc[nH+]c2C)C[C@@H]1O ZINC000270944733 171083789 /nfs/dbraw/zinc/08/37/89/171083789.db2.gz ZHCCOJCDIVIUHZ-NEPJUHHUSA-N 2 2 223.320 0.894 20 0 BCADLP CC[C@@H]1C[N@@H+](CCn2cc[nH+]c2C)C[C@@H]1O ZINC000270944733 171083791 /nfs/dbraw/zinc/08/37/91/171083791.db2.gz ZHCCOJCDIVIUHZ-NEPJUHHUSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1ncc(C[NH2+]C2(CO)CC[NH2+]CC2)s1 ZINC000662286531 412076592 /nfs/dbraw/zinc/07/65/92/412076592.db2.gz JPPLAFIANWMJFC-UHFFFAOYSA-N 2 2 241.360 0.656 20 0 BCADLP Cc1ncccc1C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285134 412076726 /nfs/dbraw/zinc/07/67/26/412076726.db2.gz XOPHVXZAUXREST-UHFFFAOYSA-N 2 2 235.331 0.594 20 0 BCADLP CC[C@@]1(C(=O)NCCn2cc[nH+]c2)CCC[NH2+]1 ZINC000121975655 171195863 /nfs/dbraw/zinc/19/58/63/171195863.db2.gz QZNKMXUSYYTHRH-LBPRGKRZSA-N 2 2 236.319 0.532 20 0 BCADLP c1cncc([C@@H]2CC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)c1 ZINC000662283928 412074319 /nfs/dbraw/zinc/07/43/19/412074319.db2.gz RKPAYZOEXVZMGZ-ZIAGYGMSSA-N 2 2 247.342 0.859 20 0 BCADLP c1cncc([C@@H]2CC[N@H+](C[C@H]3C[NH2+]CCO3)C2)c1 ZINC000662283928 412074321 /nfs/dbraw/zinc/07/43/21/412074321.db2.gz RKPAYZOEXVZMGZ-ZIAGYGMSSA-N 2 2 247.342 0.859 20 0 BCADLP c1cncc([C@@H]2CC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)c1 ZINC000662283925 412074664 /nfs/dbraw/zinc/07/46/64/412074664.db2.gz RKPAYZOEXVZMGZ-KGLIPLIRSA-N 2 2 247.342 0.859 20 0 BCADLP c1cncc([C@@H]2CC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)c1 ZINC000662283925 412074666 /nfs/dbraw/zinc/07/46/66/412074666.db2.gz RKPAYZOEXVZMGZ-KGLIPLIRSA-N 2 2 247.342 0.859 20 0 BCADLP FC1(F)C[C@]12CC[N@H+](C[C@H]1C[NH2+]CCO1)C2 ZINC000662285141 412076388 /nfs/dbraw/zinc/07/63/88/412076388.db2.gz XWAQOEQQAWNTMV-ZJUUUORDSA-N 2 2 232.274 0.706 20 0 BCADLP FC1(F)C[C@]12CC[N@@H+](C[C@H]1C[NH2+]CCO1)C2 ZINC000662285141 412076389 /nfs/dbraw/zinc/07/63/89/412076389.db2.gz XWAQOEQQAWNTMV-ZJUUUORDSA-N 2 2 232.274 0.706 20 0 BCADLP CC[C@H](C)C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000357356383 171285043 /nfs/dbraw/zinc/28/50/43/171285043.db2.gz PTIXXANEUSIQEA-NWDGAFQWSA-N 2 2 241.379 0.962 20 0 BCADLP CC[C@H](C)C[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000357356383 171285044 /nfs/dbraw/zinc/28/50/44/171285044.db2.gz PTIXXANEUSIQEA-NWDGAFQWSA-N 2 2 241.379 0.962 20 0 BCADLP CCN(CC)C(=O)[C@@H](C)[N@H+](C)CC(C)(C)[NH3+] ZINC000662297657 412084607 /nfs/dbraw/zinc/08/46/07/412084607.db2.gz OTDMNPCJYWZKAQ-SNVBAGLBSA-N 2 2 229.368 0.912 20 0 BCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662297657 412084609 /nfs/dbraw/zinc/08/46/09/412084609.db2.gz OTDMNPCJYWZKAQ-SNVBAGLBSA-N 2 2 229.368 0.912 20 0 BCADLP C[N@H+](Cc1ccnc(N)c1)CC(C)(C)[NH3+] ZINC000662295293 412084913 /nfs/dbraw/zinc/08/49/13/412084913.db2.gz PEVFHQUIWKGQOU-UHFFFAOYSA-N 2 2 208.309 0.833 20 0 BCADLP C[N@@H+](Cc1ccnc(N)c1)CC(C)(C)[NH3+] ZINC000662295293 412084918 /nfs/dbraw/zinc/08/49/18/412084918.db2.gz PEVFHQUIWKGQOU-UHFFFAOYSA-N 2 2 208.309 0.833 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227074714 171324955 /nfs/dbraw/zinc/32/49/55/171324955.db2.gz MALOXJWRGHYYPB-GARJFASQSA-N 2 2 227.352 0.570 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227074714 171324956 /nfs/dbraw/zinc/32/49/56/171324956.db2.gz MALOXJWRGHYYPB-GARJFASQSA-N 2 2 227.352 0.570 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000226677207 171325394 /nfs/dbraw/zinc/32/53/94/171325394.db2.gz FLJISTAEVZMIHQ-RYUDHWBXSA-N 2 2 241.379 0.833 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000226677207 171325395 /nfs/dbraw/zinc/32/53/95/171325395.db2.gz FLJISTAEVZMIHQ-RYUDHWBXSA-N 2 2 241.379 0.833 20 0 BCADLP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000037267388 171332017 /nfs/dbraw/zinc/33/20/17/171332017.db2.gz NECNPWKMOJSIEU-WDEREUQCSA-N 2 2 241.379 0.973 20 0 BCADLP C[C@H](CO)C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662286202 412078553 /nfs/dbraw/zinc/07/85/53/412078553.db2.gz POSYFNIWRAQODS-YPMHNXCESA-N 2 2 242.363 0.315 20 0 BCADLP CC[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000020036757 171339711 /nfs/dbraw/zinc/33/97/11/171339711.db2.gz IJBPDPJCAJQBCS-JTQLQIEISA-N 2 2 213.325 0.149 20 0 BCADLP [NH3+]CC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291328 412079176 /nfs/dbraw/zinc/07/91/76/412079176.db2.gz DWFFFHIZASPSKJ-LBPRGKRZSA-N 3 2 211.353 0.657 20 0 BCADLP CC(C)(C)CCC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662288275 412079546 /nfs/dbraw/zinc/07/95/46/412079546.db2.gz NKAADAZYTLNCAR-NSHDSACASA-N 2 2 232.368 0.427 20 0 BCADLP CC(C)(C)CCC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662288275 412079551 /nfs/dbraw/zinc/07/95/51/412079551.db2.gz NKAADAZYTLNCAR-NSHDSACASA-N 2 2 232.368 0.427 20 0 BCADLP Cc1ccccc1C[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662288392 412079598 /nfs/dbraw/zinc/07/95/98/412079598.db2.gz HILABIGNXQHOFE-ZDUSSCGKSA-N 2 2 238.331 0.109 20 0 BCADLP Cc1ccccc1C[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662288392 412079604 /nfs/dbraw/zinc/07/96/04/412079604.db2.gz HILABIGNXQHOFE-ZDUSSCGKSA-N 2 2 238.331 0.109 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000662315472 412096800 /nfs/dbraw/zinc/09/68/00/412096800.db2.gz PZNGKEZDLTVUPS-QWHCGFSZSA-N 2 2 240.347 0.477 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000662315472 412096805 /nfs/dbraw/zinc/09/68/05/412096805.db2.gz PZNGKEZDLTVUPS-QWHCGFSZSA-N 2 2 240.347 0.477 20 0 BCADLP c1cnc2c(n1)CC[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000662317425 412098762 /nfs/dbraw/zinc/09/87/62/412098762.db2.gz OZARZMTVGXYPIM-NSHDSACASA-N 2 2 232.331 0.834 20 0 BCADLP c1cnc2c(n1)CC[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000662317425 412098767 /nfs/dbraw/zinc/09/87/67/412098767.db2.gz OZARZMTVGXYPIM-NSHDSACASA-N 2 2 232.331 0.834 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662317522 412098866 /nfs/dbraw/zinc/09/88/66/412098866.db2.gz QQDVSGAYIKKLOE-VHSXEESVSA-N 2 2 228.340 0.021 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662317522 412098869 /nfs/dbraw/zinc/09/88/69/412098869.db2.gz QQDVSGAYIKKLOE-VHSXEESVSA-N 2 2 228.340 0.021 20 0 BCADLP C[C@]1(C(F)F)C[N@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000662335753 412107073 /nfs/dbraw/zinc/10/70/73/412107073.db2.gz QGLIBMQZNCLZBE-GXSJLCMTSA-N 2 2 234.290 0.952 20 0 BCADLP C[C@]1(C(F)F)C[N@@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000662335753 412107078 /nfs/dbraw/zinc/10/70/78/412107078.db2.gz QGLIBMQZNCLZBE-GXSJLCMTSA-N 2 2 234.290 0.952 20 0 BCADLP CC[C@@H]([NH2+]C)C(=O)NCc1[nH+]ccn1C ZINC000662446127 412177648 /nfs/dbraw/zinc/17/76/48/412177648.db2.gz XPRYRPWWBZLLCN-MRVPVSSYSA-N 2 2 210.281 0.034 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1([NH3+])CCCC1 ZINC000665246601 412178856 /nfs/dbraw/zinc/17/88/56/412178856.db2.gz JLZSKAUEWHIOQN-WDEREUQCSA-N 3 2 211.353 0.975 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000665244593 412186631 /nfs/dbraw/zinc/18/66/31/412186631.db2.gz RJJFYOBCBUTXGJ-OPRDCNLKSA-N 2 2 234.290 0.998 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000665244591 412187738 /nfs/dbraw/zinc/18/77/38/412187738.db2.gz RJJFYOBCBUTXGJ-BBBLOLIVSA-N 2 2 234.290 0.998 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](CO)C1CCC1 ZINC000665235443 412175007 /nfs/dbraw/zinc/17/50/07/412175007.db2.gz VZNNTIRSCREZRL-RTXFEEFZSA-N 2 2 242.363 0.504 20 0 BCADLP [NH3+]C1(CC(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000662681573 412269155 /nfs/dbraw/zinc/26/91/55/412269155.db2.gz IIHSAHXREDXNHP-UHFFFAOYSA-N 2 2 248.330 0.881 20 0 BCADLP [NH3+][C@H]1C[C@H](C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000662699628 412275946 /nfs/dbraw/zinc/27/59/46/412275946.db2.gz DAROEYVZGNFPKJ-XYPYZODXSA-N 2 2 248.330 0.853 20 0 BCADLP Cc1[nH]c(C(=O)NCC23CC(C2)C[NH2+]3)c[nH+]1 ZINC000662719711 412283678 /nfs/dbraw/zinc/28/36/78/412283678.db2.gz JDWHBYWGLOSGHS-UHFFFAOYSA-N 2 2 220.276 0.200 20 0 BCADLP C[C@H](NCC12CC(C1)C[NH2+]2)c1[nH+]ccn1C ZINC000665278255 412221954 /nfs/dbraw/zinc/22/19/54/412221954.db2.gz ZJMGYZRMSLCJRR-BMQDGWLCSA-N 2 2 220.320 0.823 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000662584678 412229897 /nfs/dbraw/zinc/22/98/97/412229897.db2.gz DXOBEGFSKOAVOJ-WCQYABFASA-N 2 2 248.330 0.758 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000662584678 412229900 /nfs/dbraw/zinc/22/99/00/412229900.db2.gz DXOBEGFSKOAVOJ-WCQYABFASA-N 2 2 248.330 0.758 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000662585548 412230752 /nfs/dbraw/zinc/23/07/52/412230752.db2.gz JXKNURNBBFBBLW-VIFPVBQESA-N 2 2 222.292 0.366 20 0 BCADLP CC(C)[C@@H]([NH3+])C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662586639 412230938 /nfs/dbraw/zinc/23/09/38/412230938.db2.gz XQIIOZUXIVMJDD-SECBINFHSA-N 2 2 210.281 0.351 20 0 BCADLP CC(C)[C@@H]([NH3+])C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662586639 412230940 /nfs/dbraw/zinc/23/09/40/412230940.db2.gz XQIIOZUXIVMJDD-SECBINFHSA-N 2 2 210.281 0.351 20 0 BCADLP C[NH2+]C(C)(C)CNc1nc(C)[nH+]cc1C ZINC000582497464 412289771 /nfs/dbraw/zinc/28/97/71/412289771.db2.gz UGNIXPLBEOZQPX-UHFFFAOYSA-N 2 2 208.309 1.503 20 0 BCADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)S(C)(=O)=O ZINC000665299540 412246640 /nfs/dbraw/zinc/24/66/40/412246640.db2.gz OUDMPECMMUYSCS-UTLUCORTSA-N 2 2 234.365 0.150 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)CCC(C)(C)[NH3+] ZINC000662839602 412318358 /nfs/dbraw/zinc/31/83/58/412318358.db2.gz VGKPNHRQQXIQHW-UHFFFAOYSA-N 2 2 224.308 0.886 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)CCC(C)(C)[NH3+] ZINC000662839602 412318361 /nfs/dbraw/zinc/31/83/61/412318361.db2.gz VGKPNHRQQXIQHW-UHFFFAOYSA-N 2 2 224.308 0.886 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)C(C)(C)[NH3+] ZINC000662899250 412339535 /nfs/dbraw/zinc/33/95/35/412339535.db2.gz FBIBTADFDZFELA-MRVPVSSYSA-N 2 2 224.308 0.818 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)COCC[NH3+] ZINC000662901310 412339944 /nfs/dbraw/zinc/33/99/44/412339944.db2.gz YFVAEWQKRPCZSY-SECBINFHSA-N 2 2 240.307 0.056 20 0 BCADLP CC(C)[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000662917218 412344699 /nfs/dbraw/zinc/34/46/99/412344699.db2.gz LEQSTEWRDAATIK-NEPJUHHUSA-N 2 2 241.379 0.816 20 0 BCADLP C[C@H](NC(=O)c1c[nH+]ccc1N)c1[nH+]ccn1C ZINC000662933135 412348364 /nfs/dbraw/zinc/34/83/64/412348364.db2.gz GVUCMJNKRCDBAC-QMMMGPOBSA-N 2 2 245.286 0.719 20 0 BCADLP C[C@@H](NC(=O)CC1([NH3+])CC1)c1[nH+]ccn1C ZINC000662933642 412348487 /nfs/dbraw/zinc/34/84/87/412348487.db2.gz JAQQAARCOUPGKH-MRVPVSSYSA-N 2 2 222.292 0.479 20 0 BCADLP C[C@H](NC(=O)[C@]1(C)CC[NH2+]C1)c1[nH+]ccn1C ZINC000662935617 412349190 /nfs/dbraw/zinc/34/91/90/412349190.db2.gz WTPKLNOXXYWFQA-JOYOIKCWSA-N 2 2 236.319 0.597 20 0 BCADLP C[C@@H](NC(=O)[C@]1(C)CC[NH2+]C1)c1[nH+]ccn1C ZINC000662935615 412349194 /nfs/dbraw/zinc/34/91/94/412349194.db2.gz WTPKLNOXXYWFQA-BXKDBHETSA-N 2 2 236.319 0.597 20 0 BCADLP CC[C@H]([NH2+]C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662935773 412349879 /nfs/dbraw/zinc/34/98/79/412349879.db2.gz ZGWWJXUPCULHDT-BDAKNGLRSA-N 2 2 224.308 0.595 20 0 BCADLP CC[C@@H]([NH3+])C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662935210 412349963 /nfs/dbraw/zinc/34/99/63/412349963.db2.gz TUGYISZNHBIEPF-HTQZYQBOSA-N 2 2 210.281 0.335 20 0 BCADLP C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1[nH+]ccn1C ZINC000662935130 412350205 /nfs/dbraw/zinc/35/02/05/412350205.db2.gz SDNCTOVRXFNOCA-BBBLOLIVSA-N 2 2 236.319 0.725 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662752974 412291343 /nfs/dbraw/zinc/29/13/43/412291343.db2.gz MLAWYQKSPIGORD-JTQLQIEISA-N 2 2 236.319 0.722 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662753902 412291417 /nfs/dbraw/zinc/29/14/17/412291417.db2.gz YZZQOHWLLFXLKG-ZKCHVHJHSA-N 2 2 208.265 0.072 20 0 BCADLP CCc1nocc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000339350116 172102028 /nfs/dbraw/zinc/10/20/28/172102028.db2.gz XPJWXEUWXRBDMZ-GFCCVEGCSA-N 2 2 239.319 0.393 20 0 BCADLP CCn1cnnc1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000359943886 172236843 /nfs/dbraw/zinc/23/68/43/172236843.db2.gz RLPLBSQUSRBIHA-WDEREUQCSA-N 2 2 237.351 0.728 20 0 BCADLP CCn1cnnc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000359943886 172236846 /nfs/dbraw/zinc/23/68/46/172236846.db2.gz RLPLBSQUSRBIHA-WDEREUQCSA-N 2 2 237.351 0.728 20 0 BCADLP CN(C(=O)C[N@@H+]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000050247293 172309341 /nfs/dbraw/zinc/30/93/41/172309341.db2.gz XRGDZPXDKGYVHA-GFCCVEGCSA-N 2 2 247.342 0.930 20 0 BCADLP CN(C(=O)C[N@H+]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000050247293 172309343 /nfs/dbraw/zinc/30/93/43/172309343.db2.gz XRGDZPXDKGYVHA-GFCCVEGCSA-N 2 2 247.342 0.930 20 0 BCADLP CN(C(=O)c1ccc2[nH+]ccn2c1)C1CC([NH3+])C1 ZINC000294816867 172341269 /nfs/dbraw/zinc/34/12/69/172341269.db2.gz KAEHOIPBFHWNJW-UHFFFAOYSA-N 2 2 244.298 0.896 20 0 BCADLP CN(C)C(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243125 172363786 /nfs/dbraw/zinc/36/37/86/172363786.db2.gz YJNKUPUZEJOUJP-UHFFFAOYSA-N 2 2 236.319 0.608 20 0 BCADLP C[NH+](C)C(C)(C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000282564044 172393675 /nfs/dbraw/zinc/39/36/75/172393675.db2.gz ALRMOZDKMDBDER-AATRIKPKSA-N 2 2 236.319 0.879 20 0 BCADLP C[NH+](C)C/C=C/C(=O)NCCCn1cc[nH+]c1 ZINC000265656742 172399861 /nfs/dbraw/zinc/39/98/61/172399861.db2.gz WLDJHIKJJGYJAF-HWKANZROSA-N 2 2 236.319 0.507 20 0 BCADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](O)C(F)F ZINC000353137276 172573697 /nfs/dbraw/zinc/57/36/97/172573697.db2.gz BLFGOJAWVRKQTK-SNVBAGLBSA-N 2 2 245.273 0.863 20 0 BCADLP C[N@@H+]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000276752841 173010565 /nfs/dbraw/zinc/01/05/65/173010565.db2.gz WEIOSMJVEMRLLP-ONEGZZNKSA-N 2 2 234.303 0.587 20 0 BCADLP C[N@H+]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000276752841 173010567 /nfs/dbraw/zinc/01/05/67/173010567.db2.gz WEIOSMJVEMRLLP-ONEGZZNKSA-N 2 2 234.303 0.587 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000121080337 173024654 /nfs/dbraw/zinc/02/46/54/173024654.db2.gz SGCILTYTTCAAQK-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP C[N@H+]1CCC[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000121080337 173024656 /nfs/dbraw/zinc/02/46/56/173024656.db2.gz SGCILTYTTCAAQK-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@](F)(CO)C1 ZINC000338590816 173026798 /nfs/dbraw/zinc/02/67/98/173026798.db2.gz UQUDIKRAGOXDEY-VXGBXAGGSA-N 2 2 230.327 0.877 20 0 BCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@](F)(CO)C1 ZINC000338590816 173026800 /nfs/dbraw/zinc/02/68/00/173026800.db2.gz UQUDIKRAGOXDEY-VXGBXAGGSA-N 2 2 230.327 0.877 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@](F)(CO)C1 ZINC000338590816 173026803 /nfs/dbraw/zinc/02/68/03/173026803.db2.gz UQUDIKRAGOXDEY-VXGBXAGGSA-N 2 2 230.327 0.877 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@](F)(CO)C1 ZINC000338590816 173026805 /nfs/dbraw/zinc/02/68/05/173026805.db2.gz UQUDIKRAGOXDEY-VXGBXAGGSA-N 2 2 230.327 0.877 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@](F)(CO)C1 ZINC000338590804 173028645 /nfs/dbraw/zinc/02/86/45/173028645.db2.gz UQUDIKRAGOXDEY-NEPJUHHUSA-N 2 2 230.327 0.877 20 0 BCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@](F)(CO)C1 ZINC000338590804 173028647 /nfs/dbraw/zinc/02/86/47/173028647.db2.gz UQUDIKRAGOXDEY-NEPJUHHUSA-N 2 2 230.327 0.877 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338590804 173028649 /nfs/dbraw/zinc/02/86/49/173028649.db2.gz UQUDIKRAGOXDEY-NEPJUHHUSA-N 2 2 230.327 0.877 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@](F)(CO)C1 ZINC000338590804 173028652 /nfs/dbraw/zinc/02/86/52/173028652.db2.gz UQUDIKRAGOXDEY-NEPJUHHUSA-N 2 2 230.327 0.877 20 0 BCADLP C[N@@H+](CC(=O)NC1CC1)C[C@H]1CCC[NH+](C)C1 ZINC000112657070 173038175 /nfs/dbraw/zinc/03/81/75/173038175.db2.gz APVYBBOPKGNBTR-NSHDSACASA-N 2 2 239.363 0.539 20 0 BCADLP C[N@H+](CC(=O)NC1CC1)C[C@H]1CCC[NH+](C)C1 ZINC000112657070 173038177 /nfs/dbraw/zinc/03/81/77/173038177.db2.gz APVYBBOPKGNBTR-NSHDSACASA-N 2 2 239.363 0.539 20 0 BCADLP C[NH+](CC(=O)NC1CC1)C[C@H]1CCC[N@H+](C)C1 ZINC000112657070 173038179 /nfs/dbraw/zinc/03/81/79/173038179.db2.gz APVYBBOPKGNBTR-NSHDSACASA-N 2 2 239.363 0.539 20 0 BCADLP C[NH+](CC(=O)NC1CC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000112657070 173038181 /nfs/dbraw/zinc/03/81/81/173038181.db2.gz APVYBBOPKGNBTR-NSHDSACASA-N 2 2 239.363 0.539 20 0 BCADLP C[N@@H+]1CCC[C@H]1CC[NH2+]C1(C(N)=O)CC1 ZINC000336746304 173053377 /nfs/dbraw/zinc/05/33/77/173053377.db2.gz BDDXWSOBZWCLND-VIFPVBQESA-N 2 2 211.309 0.078 20 0 BCADLP C[N@H+]1CCC[C@H]1CC[NH2+]C1(C(N)=O)CC1 ZINC000336746304 173053380 /nfs/dbraw/zinc/05/33/80/173053380.db2.gz BDDXWSOBZWCLND-VIFPVBQESA-N 2 2 211.309 0.078 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)nn1 ZINC000336784195 173058694 /nfs/dbraw/zinc/05/86/94/173058694.db2.gz ZJTPEAMPFJZMGW-AAEUAGOBSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)nn1 ZINC000336784195 173058697 /nfs/dbraw/zinc/05/86/97/173058697.db2.gz ZJTPEAMPFJZMGW-AAEUAGOBSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)nn1 ZINC000336784195 173058698 /nfs/dbraw/zinc/05/86/98/173058698.db2.gz ZJTPEAMPFJZMGW-AAEUAGOBSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)nn1 ZINC000336784195 173058701 /nfs/dbraw/zinc/05/87/01/173058701.db2.gz ZJTPEAMPFJZMGW-AAEUAGOBSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)nn1 ZINC000336784197 173060215 /nfs/dbraw/zinc/06/02/15/173060215.db2.gz ZJTPEAMPFJZMGW-WCQYABFASA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)nn1 ZINC000336784197 173060218 /nfs/dbraw/zinc/06/02/18/173060218.db2.gz ZJTPEAMPFJZMGW-WCQYABFASA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)nn1 ZINC000336784197 173060220 /nfs/dbraw/zinc/06/02/20/173060220.db2.gz ZJTPEAMPFJZMGW-WCQYABFASA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)nn1 ZINC000336784197 173060223 /nfs/dbraw/zinc/06/02/23/173060223.db2.gz ZJTPEAMPFJZMGW-WCQYABFASA-N 2 2 249.362 0.731 20 0 BCADLP C[N@@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000284291614 173064114 /nfs/dbraw/zinc/06/41/14/173064114.db2.gz GEJXJLYRYQLGHW-SNAWJCMRSA-N 2 2 248.330 0.976 20 0 BCADLP C[N@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000284291614 173064115 /nfs/dbraw/zinc/06/41/15/173064115.db2.gz GEJXJLYRYQLGHW-SNAWJCMRSA-N 2 2 248.330 0.976 20 0 BCADLP C[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000234317531 173071488 /nfs/dbraw/zinc/07/14/88/173071488.db2.gz DGISMFFWRSHEGO-NSHDSACASA-N 2 2 239.363 0.539 20 0 BCADLP Cn1ccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000091008874 173075217 /nfs/dbraw/zinc/07/52/17/173075217.db2.gz IVHDHFJQVUFSAL-CYBMUJFWSA-N 2 2 236.363 0.361 20 0 BCADLP Cn1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000091008874 173075220 /nfs/dbraw/zinc/07/52/20/173075220.db2.gz IVHDHFJQVUFSAL-CYBMUJFWSA-N 2 2 236.363 0.361 20 0 BCADLP Cn1cccc1C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000068801907 173076226 /nfs/dbraw/zinc/07/62/26/173076226.db2.gz NIBBDOMMSGNTIK-ZDUSSCGKSA-N 2 2 236.363 0.361 20 0 BCADLP Cn1cccc1C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000068801907 173076228 /nfs/dbraw/zinc/07/62/28/173076228.db2.gz NIBBDOMMSGNTIK-ZDUSSCGKSA-N 2 2 236.363 0.361 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]CC1=CCCOC1 ZINC000344445856 173076509 /nfs/dbraw/zinc/07/65/09/173076509.db2.gz PKCOOEMNEFMFFL-ZDUSSCGKSA-N 2 2 239.363 0.169 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]CC1=CCCOC1 ZINC000344445856 173076512 /nfs/dbraw/zinc/07/65/12/173076512.db2.gz PKCOOEMNEFMFFL-ZDUSSCGKSA-N 2 2 239.363 0.169 20 0 BCADLP Cn1cc[nH+]c1CN1CC[N@H+](C)CC1(C)C ZINC000271044893 173089402 /nfs/dbraw/zinc/08/94/02/173089402.db2.gz NVYHPLPZTFHLOL-UHFFFAOYSA-N 2 2 222.336 0.946 20 0 BCADLP Cn1cc[nH+]c1CN1CC[N@@H+](C)CC1(C)C ZINC000271044893 173089404 /nfs/dbraw/zinc/08/94/04/173089404.db2.gz NVYHPLPZTFHLOL-UHFFFAOYSA-N 2 2 222.336 0.946 20 0 BCADLP C[N@@H+]1CCO[C@@H](CNc2cccc[nH+]2)C1 ZINC000082643957 173101433 /nfs/dbraw/zinc/10/14/33/173101433.db2.gz SHHNQPDEDWZLPQ-JTQLQIEISA-N 2 2 207.277 0.824 20 0 BCADLP C[N@H+]1CCO[C@@H](CNc2cccc[nH+]2)C1 ZINC000082643957 173101436 /nfs/dbraw/zinc/10/14/36/173101436.db2.gz SHHNQPDEDWZLPQ-JTQLQIEISA-N 2 2 207.277 0.824 20 0 BCADLP CN1CC[C@@H]([N@H+](C)CC[C@@H]2CCC[NH+]2C)C1=O ZINC000336681355 173118938 /nfs/dbraw/zinc/11/89/38/173118938.db2.gz COFKZHIFLZTEGZ-NWDGAFQWSA-N 2 2 239.363 0.633 20 0 BCADLP CN1CC[C@@H]([N@@H+](C)CC[C@@H]2CCC[NH+]2C)C1=O ZINC000336681355 173118940 /nfs/dbraw/zinc/11/89/40/173118940.db2.gz COFKZHIFLZTEGZ-NWDGAFQWSA-N 2 2 239.363 0.633 20 0 BCADLP CN1CC[C@@H]([NH+](C)CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC000336681355 173118941 /nfs/dbraw/zinc/11/89/41/173118941.db2.gz COFKZHIFLZTEGZ-NWDGAFQWSA-N 2 2 239.363 0.633 20 0 BCADLP CN1CC[C@@H]([NH+](C)CC[C@@H]2CCC[N@H+]2C)C1=O ZINC000336681355 173118943 /nfs/dbraw/zinc/11/89/43/173118943.db2.gz COFKZHIFLZTEGZ-NWDGAFQWSA-N 2 2 239.363 0.633 20 0 BCADLP C[N@@H+]1CC[C@@H]2CC[NH+](CCn3cccn3)[C@@H]2C1 ZINC000373135886 173130699 /nfs/dbraw/zinc/13/06/99/173130699.db2.gz BIQSXRHXFMJHRB-CHWSQXEVSA-N 2 2 234.347 0.909 20 0 BCADLP C[N@H+]1CC[C@@H]2CC[NH+](CCn3cccn3)[C@@H]2C1 ZINC000373135886 173130700 /nfs/dbraw/zinc/13/07/00/173130700.db2.gz BIQSXRHXFMJHRB-CHWSQXEVSA-N 2 2 234.347 0.909 20 0 BCADLP C[NH+]1CC[C@@H]2CC[N@H+](CCn3cccn3)[C@@H]2C1 ZINC000373135886 173130703 /nfs/dbraw/zinc/13/07/03/173130703.db2.gz BIQSXRHXFMJHRB-CHWSQXEVSA-N 2 2 234.347 0.909 20 0 BCADLP C[NH+]1CC[C@@H]2CC[N@@H+](CCn3cccn3)[C@@H]2C1 ZINC000373135886 173130705 /nfs/dbraw/zinc/13/07/05/173130705.db2.gz BIQSXRHXFMJHRB-CHWSQXEVSA-N 2 2 234.347 0.909 20 0 BCADLP C[N@@H+]1CC[C@@H]2CCN(Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000378460468 173133670 /nfs/dbraw/zinc/13/36/70/173133670.db2.gz VIODEJVDSDKJCG-GHMZBOCLSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@H+]1CC[C@@H]2CCN(Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000378460468 173133672 /nfs/dbraw/zinc/13/36/72/173133672.db2.gz VIODEJVDSDKJCG-GHMZBOCLSA-N 2 2 220.320 0.936 20 0 BCADLP Cn1nncc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000367709150 173135598 /nfs/dbraw/zinc/13/55/98/173135598.db2.gz WNIFGFUXKZZYPO-DGCLKSJQSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1nncc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000367709150 173135600 /nfs/dbraw/zinc/13/56/00/173135600.db2.gz WNIFGFUXKZZYPO-DGCLKSJQSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1nncc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000367709150 173135603 /nfs/dbraw/zinc/13/56/03/173135603.db2.gz WNIFGFUXKZZYPO-DGCLKSJQSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1nncc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000367709150 173135605 /nfs/dbraw/zinc/13/56/05/173135605.db2.gz WNIFGFUXKZZYPO-DGCLKSJQSA-N 2 2 249.362 0.731 20 0 BCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccco2)C1 ZINC000308951608 173139744 /nfs/dbraw/zinc/13/97/44/173139744.db2.gz PHXNYSWLTFDVOB-LLVKDONJSA-N 2 2 210.277 0.436 20 0 BCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccco2)C1 ZINC000308951608 173139746 /nfs/dbraw/zinc/13/97/46/173139746.db2.gz PHXNYSWLTFDVOB-LLVKDONJSA-N 2 2 210.277 0.436 20 0 BCADLP Cn1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000336775213 173139992 /nfs/dbraw/zinc/13/99/92/173139992.db2.gz YIVGRJLJYHGFMG-GFCCVEGCSA-N 2 2 223.320 0.181 20 0 BCADLP Cn1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000336775213 173139995 /nfs/dbraw/zinc/13/99/95/173139995.db2.gz YIVGRJLJYHGFMG-GFCCVEGCSA-N 2 2 223.320 0.181 20 0 BCADLP CN1CC[C@H]([N@@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000124312125 173148559 /nfs/dbraw/zinc/14/85/59/173148559.db2.gz VTBQLXPOXJNMPA-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP CN1CC[C@H]([NH+]2CCC(c3c[nH+]c[nH]3)CC2)C1=O ZINC000336553947 173151015 /nfs/dbraw/zinc/15/10/15/173151015.db2.gz KNPONDXFOCDJSF-LBPRGKRZSA-N 2 2 248.330 0.820 20 0 BCADLP CN1CC[C@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1=O ZINC000336553947 173151017 /nfs/dbraw/zinc/15/10/17/173151017.db2.gz KNPONDXFOCDJSF-LBPRGKRZSA-N 2 2 248.330 0.820 20 0 BCADLP Cn1cnc(C[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000368613217 173154338 /nfs/dbraw/zinc/15/43/38/173154338.db2.gz JHYAWDZZPJQFRB-SDDRHHMPSA-N 2 2 249.362 0.778 20 0 BCADLP Cn1cnc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000368613217 173154340 /nfs/dbraw/zinc/15/43/40/173154340.db2.gz JHYAWDZZPJQFRB-SDDRHHMPSA-N 2 2 249.362 0.778 20 0 BCADLP Cn1cnc(C[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000368613216 173154643 /nfs/dbraw/zinc/15/46/43/173154643.db2.gz JHYAWDZZPJQFRB-GRYCIOLGSA-N 2 2 249.362 0.778 20 0 BCADLP Cn1cnc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000368613216 173154646 /nfs/dbraw/zinc/15/46/46/173154646.db2.gz JHYAWDZZPJQFRB-GRYCIOLGSA-N 2 2 249.362 0.778 20 0 BCADLP C[N@@H+]1CC[C@H]2CCN(Cc3c[nH]c[nH+]3)C[C@H]21 ZINC000378472730 173160107 /nfs/dbraw/zinc/16/01/07/173160107.db2.gz JIKYQPHGRWOLJL-CMPLNLGQSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@H+]1CC[C@H]2CCN(Cc3c[nH]c[nH+]3)C[C@H]21 ZINC000378472730 173160110 /nfs/dbraw/zinc/16/01/10/173160110.db2.gz JIKYQPHGRWOLJL-CMPLNLGQSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@@H+]1CC[C@H]2CCN(Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000378472730 173160111 /nfs/dbraw/zinc/16/01/11/173160111.db2.gz JIKYQPHGRWOLJL-CMPLNLGQSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@H+]1CC[C@H]2CCN(Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000378472730 173160113 /nfs/dbraw/zinc/16/01/13/173160113.db2.gz JIKYQPHGRWOLJL-CMPLNLGQSA-N 2 2 220.320 0.936 20 0 BCADLP Cn1nncc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000367709149 173162783 /nfs/dbraw/zinc/16/27/83/173162783.db2.gz WNIFGFUXKZZYPO-AAEUAGOBSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1nncc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000367709149 173162785 /nfs/dbraw/zinc/16/27/85/173162785.db2.gz WNIFGFUXKZZYPO-AAEUAGOBSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1nncc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000367709149 173162786 /nfs/dbraw/zinc/16/27/86/173162786.db2.gz WNIFGFUXKZZYPO-AAEUAGOBSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1nncc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000367709149 173162788 /nfs/dbraw/zinc/16/27/88/173162788.db2.gz WNIFGFUXKZZYPO-AAEUAGOBSA-N 2 2 249.362 0.731 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336280421 173168838 /nfs/dbraw/zinc/16/88/38/173168838.db2.gz LNQLKTKFTFCQCU-LBPRGKRZSA-N 2 2 225.336 0.102 20 0 BCADLP CN(C)C(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336280421 173168839 /nfs/dbraw/zinc/16/88/39/173168839.db2.gz LNQLKTKFTFCQCU-LBPRGKRZSA-N 2 2 225.336 0.102 20 0 BCADLP CN(C)C(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336280421 173168842 /nfs/dbraw/zinc/16/88/42/173168842.db2.gz LNQLKTKFTFCQCU-LBPRGKRZSA-N 2 2 225.336 0.102 20 0 BCADLP CN(C)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336280421 173168844 /nfs/dbraw/zinc/16/88/44/173168844.db2.gz LNQLKTKFTFCQCU-LBPRGKRZSA-N 2 2 225.336 0.102 20 0 BCADLP Cn1c[nH+]cc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193623858 173196986 /nfs/dbraw/zinc/19/69/86/173196986.db2.gz IOGQXTBIJOSSDC-PHIMTYICSA-N 2 2 220.320 0.414 20 0 BCADLP Cn1c[nH+]cc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193623858 173196988 /nfs/dbraw/zinc/19/69/88/173196988.db2.gz IOGQXTBIJOSSDC-PHIMTYICSA-N 2 2 220.320 0.414 20 0 BCADLP CNC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917649 173274168 /nfs/dbraw/zinc/27/41/68/173274168.db2.gz YRNAWBRSUBVDBK-MNOVXSKESA-N 2 2 225.336 0.196 20 0 BCADLP CNC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917649 173274169 /nfs/dbraw/zinc/27/41/69/173274169.db2.gz YRNAWBRSUBVDBK-MNOVXSKESA-N 2 2 225.336 0.196 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000298423186 173280977 /nfs/dbraw/zinc/28/09/77/173280977.db2.gz RZUSHFGFJHXDGQ-NXEZZACHSA-N 2 2 224.308 0.386 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000298423198 173281123 /nfs/dbraw/zinc/28/11/23/173281123.db2.gz RZUSHFGFJHXDGQ-ZJUUUORDSA-N 2 2 224.308 0.386 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000358219461 173281690 /nfs/dbraw/zinc/28/16/90/173281690.db2.gz GCCQHCVNQXQVGN-LBPRGKRZSA-N 2 2 239.363 0.753 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000358219461 173281691 /nfs/dbraw/zinc/28/16/91/173281691.db2.gz GCCQHCVNQXQVGN-LBPRGKRZSA-N 2 2 239.363 0.753 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000336645306 173282073 /nfs/dbraw/zinc/28/20/73/173282073.db2.gz BKOMEDGCKOEPSB-IUCAKERBSA-N 2 2 201.314 0.051 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000298423194 173282769 /nfs/dbraw/zinc/28/27/69/173282769.db2.gz RZUSHFGFJHXDGQ-VHSXEESVSA-N 2 2 224.308 0.386 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000298423190 173282910 /nfs/dbraw/zinc/28/29/10/173282910.db2.gz RZUSHFGFJHXDGQ-UWVGGRQHSA-N 2 2 224.308 0.386 20 0 BCADLP CNC(=O)[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000131281988 173297495 /nfs/dbraw/zinc/29/74/95/173297495.db2.gz RVLVIBZOMZRXNV-LLVKDONJSA-N 2 2 236.319 0.341 20 0 BCADLP CNC(=O)[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000131281988 173297496 /nfs/dbraw/zinc/29/74/96/173297496.db2.gz RVLVIBZOMZRXNV-LLVKDONJSA-N 2 2 236.319 0.341 20 0 BCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000330573856 173299409 /nfs/dbraw/zinc/29/94/09/173299409.db2.gz OBVLALIFULYBBI-MNOVXSKESA-N 2 2 236.319 0.387 20 0 BCADLP C[NH2+]C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000335622365 173322776 /nfs/dbraw/zinc/32/27/76/173322776.db2.gz ASHXYMUEXPPADD-NSHDSACASA-N 3 2 211.353 0.670 20 0 BCADLP C[NH2+]C1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000037469319 173323716 /nfs/dbraw/zinc/32/37/16/173323716.db2.gz PZBITIPIBJOARQ-VIFPVBQESA-N 2 2 225.336 0.337 20 0 BCADLP C[NH2+]CC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000083909194 173329845 /nfs/dbraw/zinc/32/98/45/173329845.db2.gz UNOOSTVNKQJQEM-UHFFFAOYSA-N 2 2 232.287 0.478 20 0 BCADLP C[NH2+]CCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000285860958 173340664 /nfs/dbraw/zinc/34/06/64/173340664.db2.gz YYKBIHLOGJOXAJ-JTQLQIEISA-N 2 2 224.308 0.245 20 0 BCADLP C[NH2+]CCC(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000375976615 173341470 /nfs/dbraw/zinc/34/14/70/173341470.db2.gz VRCLYSLPAXKYJA-SNVBAGLBSA-N 2 2 236.319 0.232 20 0 BCADLP C[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000237120388 173355556 /nfs/dbraw/zinc/35/55/56/173355556.db2.gz YQEJCMPNCBHRIL-UHFFFAOYSA-N 2 2 245.286 0.217 20 0 BCADLP C[NH2+]C[C@@H](C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000269234663 173363315 /nfs/dbraw/zinc/36/33/15/173363315.db2.gz MCCZVZOXHDLIIY-SNVBAGLBSA-N 2 2 246.314 0.806 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC000040601227 173367557 /nfs/dbraw/zinc/36/75/57/173367557.db2.gz PNOUUBPKALEIJC-JTQLQIEISA-N 2 2 225.336 0.196 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC000040601227 173367559 /nfs/dbraw/zinc/36/75/59/173367559.db2.gz PNOUUBPKALEIJC-JTQLQIEISA-N 2 2 225.336 0.196 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NCC(C)C)C1 ZINC000040601180 173367967 /nfs/dbraw/zinc/36/79/67/173367967.db2.gz QOLYRYQZDNNQGZ-LBPRGKRZSA-N 2 2 241.379 0.690 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NCC(C)C)C1 ZINC000040601180 173367969 /nfs/dbraw/zinc/36/79/69/173367969.db2.gz QOLYRYQZDNNQGZ-LBPRGKRZSA-N 2 2 241.379 0.690 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC2CC2)C1 ZINC000251035003 173371149 /nfs/dbraw/zinc/37/11/49/173371149.db2.gz MIBNADIXQVPBFI-ZJUUUORDSA-N 2 2 225.336 0.195 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC2CC2)C1 ZINC000251035003 173371152 /nfs/dbraw/zinc/37/11/52/173371152.db2.gz MIBNADIXQVPBFI-ZJUUUORDSA-N 2 2 225.336 0.195 20 0 BCADLP C[NH2+]C[C@H]1CCN(Cc2[nH+]ccn2C)C1 ZINC000070799570 173381965 /nfs/dbraw/zinc/38/19/65/173381965.db2.gz HNKQFKPIGBJKPZ-SNVBAGLBSA-N 2 2 208.309 0.461 20 0 BCADLP COCC1(C)C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000357450596 174094373 /nfs/dbraw/zinc/09/43/73/174094373.db2.gz HSUQZNJBTRLAST-LBPRGKRZSA-N 2 2 242.363 0.410 20 0 BCADLP COCC1(C)C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000357450596 174094375 /nfs/dbraw/zinc/09/43/75/174094375.db2.gz HSUQZNJBTRLAST-LBPRGKRZSA-N 2 2 242.363 0.410 20 0 BCADLP COCCC[N@H+](C)CC[NH2+]CC1CC1 ZINC000062036296 174216411 /nfs/dbraw/zinc/21/64/11/174216411.db2.gz HYTITPYPIDGQQE-UHFFFAOYSA-N 2 2 200.326 0.954 20 0 BCADLP COCCC[N@@H+](C)CC[NH2+]CC1CC1 ZINC000062036296 174216413 /nfs/dbraw/zinc/21/64/13/174216413.db2.gz HYTITPYPIDGQQE-UHFFFAOYSA-N 2 2 200.326 0.954 20 0 BCADLP COCCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336695982 174230122 /nfs/dbraw/zinc/23/01/22/174230122.db2.gz JQZRGHXPXOLHPO-UHFFFAOYSA-N 2 2 238.335 0.564 20 0 BCADLP COCCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000269672220 174230966 /nfs/dbraw/zinc/23/09/66/174230966.db2.gz ATVHNPLLLOKSSI-UHFFFAOYSA-N 2 2 238.335 0.579 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000356874531 174279787 /nfs/dbraw/zinc/27/97/87/174279787.db2.gz QLOPRQQDONDPFH-STQMWFEESA-N 2 2 244.379 0.969 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000356874531 174279788 /nfs/dbraw/zinc/27/97/88/174279788.db2.gz QLOPRQQDONDPFH-STQMWFEESA-N 2 2 244.379 0.969 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+]C2CC(OC)C2)C1 ZINC000336783000 174312999 /nfs/dbraw/zinc/31/29/99/174312999.db2.gz ZFCQIDAPIVWGMU-VOMCLLRMSA-N 2 2 228.336 0.474 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+]C2CC(OC)C2)C1 ZINC000336783000 174313000 /nfs/dbraw/zinc/31/30/00/174313000.db2.gz ZFCQIDAPIVWGMU-VOMCLLRMSA-N 2 2 228.336 0.474 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000328205530 174313911 /nfs/dbraw/zinc/31/39/11/174313911.db2.gz TYGFNQALNSQVKN-CHWSQXEVSA-N 2 2 242.363 0.723 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000328205530 174313912 /nfs/dbraw/zinc/31/39/12/174313912.db2.gz TYGFNQALNSQVKN-CHWSQXEVSA-N 2 2 242.363 0.723 20 0 BCADLP COCC[NH2+]CC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000053388752 174333742 /nfs/dbraw/zinc/33/37/42/174333742.db2.gz REFRDRBHLUBMIR-GHMZBOCLSA-N 2 2 216.325 0.380 20 0 BCADLP COCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000336760160 174337381 /nfs/dbraw/zinc/33/73/81/174337381.db2.gz LODVKRSYRZIRDN-UHFFFAOYSA-N 2 2 229.349 0.941 20 0 BCADLP COCCOCCC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336775150 174350304 /nfs/dbraw/zinc/35/03/04/174350304.db2.gz YEYDUANCMMXFQG-VXGBXAGGSA-N 2 2 230.352 0.579 20 0 BCADLP COCCOCCC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336775150 174350306 /nfs/dbraw/zinc/35/03/06/174350306.db2.gz YEYDUANCMMXFQG-VXGBXAGGSA-N 2 2 230.352 0.579 20 0 BCADLP COCCOCC[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000070027557 174352940 /nfs/dbraw/zinc/35/29/40/174352940.db2.gz XXYLDXYOIWYYFH-VXGBXAGGSA-N 2 2 230.352 0.709 20 0 BCADLP COCCOCC[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000070027557 174352941 /nfs/dbraw/zinc/35/29/41/174352941.db2.gz XXYLDXYOIWYYFH-VXGBXAGGSA-N 2 2 230.352 0.709 20 0 BCADLP COCCOC[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000309674662 174363675 /nfs/dbraw/zinc/36/36/75/174363675.db2.gz XJPZRBNEUAZXKB-SRVKXCTJSA-N 2 2 230.352 0.578 20 0 BCADLP COCCOC[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000309674662 174363680 /nfs/dbraw/zinc/36/36/80/174363680.db2.gz XJPZRBNEUAZXKB-SRVKXCTJSA-N 2 2 230.352 0.578 20 0 BCADLP COc1ccccc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000042441738 175324534 /nfs/dbraw/zinc/32/45/34/175324534.db2.gz NGWMUSKEWDFNOE-LLVKDONJSA-N 2 2 224.304 0.447 20 0 BCADLP COc1ccccc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000042441738 175324535 /nfs/dbraw/zinc/32/45/35/175324535.db2.gz NGWMUSKEWDFNOE-LLVKDONJSA-N 2 2 224.304 0.447 20 0 BCADLP COc1cc[nH+]cc1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000294405426 175371431 /nfs/dbraw/zinc/37/14/31/175371431.db2.gz FDDNZUWNOLHJRW-NSHDSACASA-N 2 2 249.314 0.801 20 0 BCADLP COc1cc[nH+]cc1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000294405426 175371432 /nfs/dbraw/zinc/37/14/32/175371432.db2.gz FDDNZUWNOLHJRW-NSHDSACASA-N 2 2 249.314 0.801 20 0 BCADLP COc1cc[nH+]cc1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000366331294 175374781 /nfs/dbraw/zinc/37/47/81/175374781.db2.gz VCAKBHZQQIEHTP-LLVKDONJSA-N 2 2 239.250 0.730 20 0 BCADLP COc1cc[nH+]cc1NC(=O)[C@H]1CC[NH2+]C1 ZINC000237115125 175375234 /nfs/dbraw/zinc/37/52/34/175375234.db2.gz UDNDIOMWUKIZCG-QMMMGPOBSA-N 2 2 221.260 0.638 20 0 BCADLP C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1c[nH+]cn1C ZINC000309739134 176184281 /nfs/dbraw/zinc/18/42/81/176184281.db2.gz CYIIXZYGPRQWNY-SCZZXKLOSA-N 2 2 222.292 0.034 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)NC1CC1 ZINC000333754541 176187205 /nfs/dbraw/zinc/18/72/05/176187205.db2.gz ZMZREUBEGLDKLX-LNLATYFQSA-N 2 2 225.336 0.241 20 0 BCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1nccn1C ZINC000122716469 176268237 /nfs/dbraw/zinc/26/82/37/176268237.db2.gz UXWHPXDHVDSRNQ-MNOVXSKESA-N 2 2 222.336 0.850 20 0 BCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1nccn1C ZINC000122716469 176268238 /nfs/dbraw/zinc/26/82/38/176268238.db2.gz UXWHPXDHVDSRNQ-MNOVXSKESA-N 2 2 222.336 0.850 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000362762507 176271277 /nfs/dbraw/zinc/27/12/77/176271277.db2.gz JWHZJHGJACHKBB-ZJUUUORDSA-N 2 2 236.319 0.566 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000362762507 176271278 /nfs/dbraw/zinc/27/12/78/176271278.db2.gz JWHZJHGJACHKBB-ZJUUUORDSA-N 2 2 236.319 0.566 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000362569014 176272574 /nfs/dbraw/zinc/27/25/74/176272574.db2.gz MNOJWLXFLNRJHB-MNOVXSKESA-N 2 2 236.319 0.197 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000362569014 176272576 /nfs/dbraw/zinc/27/25/76/176272576.db2.gz MNOJWLXFLNRJHB-MNOVXSKESA-N 2 2 236.319 0.197 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000309111663 176273473 /nfs/dbraw/zinc/27/34/73/176273473.db2.gz JXSCQCYNUYGIHM-KKOKHZNYSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000309111663 176273475 /nfs/dbraw/zinc/27/34/75/176273475.db2.gz JXSCQCYNUYGIHM-KKOKHZNYSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000358283843 176274262 /nfs/dbraw/zinc/27/42/62/176274262.db2.gz DMDSVZBKMLCJTG-CDMKHQONSA-N 2 2 234.347 0.807 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000358283843 176274263 /nfs/dbraw/zinc/27/42/63/176274263.db2.gz DMDSVZBKMLCJTG-CDMKHQONSA-N 2 2 234.347 0.807 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H](CO)C1CCOCC1 ZINC000360797454 176275082 /nfs/dbraw/zinc/27/50/82/176275082.db2.gz BHVDHFOISGCUNL-KGYLQXTDSA-N 2 2 242.363 0.314 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H](CO)C1CCOCC1 ZINC000360797454 176275084 /nfs/dbraw/zinc/27/50/84/176275084.db2.gz BHVDHFOISGCUNL-KGYLQXTDSA-N 2 2 242.363 0.314 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1cn[nH]c1 ZINC000336761890 176276746 /nfs/dbraw/zinc/27/67/46/176276746.db2.gz NTBXEVOAJGUEOJ-MWLCHTKSSA-N 2 2 208.309 0.492 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1cn[nH]c1 ZINC000336761890 176276747 /nfs/dbraw/zinc/27/67/47/176276747.db2.gz NTBXEVOAJGUEOJ-MWLCHTKSSA-N 2 2 208.309 0.492 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000309120688 176277042 /nfs/dbraw/zinc/27/70/42/176277042.db2.gz NPLMPBSKIFEULI-YUSALJHKSA-N 2 2 212.337 0.545 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000309120688 176277043 /nfs/dbraw/zinc/27/70/43/176277043.db2.gz NPLMPBSKIFEULI-YUSALJHKSA-N 2 2 212.337 0.545 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CCOCC1 ZINC000335605718 176277618 /nfs/dbraw/zinc/27/76/18/176277618.db2.gz FEVJBOVTMMQSLK-ZYHUDNBSSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CCOCC1 ZINC000335605718 176277619 /nfs/dbraw/zinc/27/76/19/176277619.db2.gz FEVJBOVTMMQSLK-ZYHUDNBSSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)CC[C@@H]1[NH3+] ZINC000094342066 176283390 /nfs/dbraw/zinc/28/33/90/176283390.db2.gz JQOGYAOLMCMIOM-NEPJUHHUSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)CC[C@@H]1[NH3+] ZINC000094342066 176283392 /nfs/dbraw/zinc/28/33/92/176283392.db2.gz JQOGYAOLMCMIOM-NEPJUHHUSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@@H]1CN(CC[NH+]2CCOCC2)[C@H](C)C[NH2+]1 ZINC000062613173 176290686 /nfs/dbraw/zinc/29/06/86/176290686.db2.gz QTIQQPQATFVVHD-VXGBXAGGSA-N 2 2 227.352 0.001 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CCCO1 ZINC000336723973 176295126 /nfs/dbraw/zinc/29/51/26/176295126.db2.gz UIVJPMATMKSMMI-YPMHNXCESA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CCCO1 ZINC000336723973 176295129 /nfs/dbraw/zinc/29/51/29/176295129.db2.gz UIVJPMATMKSMMI-YPMHNXCESA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CCCO1 ZINC000336723973 176295131 /nfs/dbraw/zinc/29/51/31/176295131.db2.gz UIVJPMATMKSMMI-YPMHNXCESA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CCCO1 ZINC000336723973 176295133 /nfs/dbraw/zinc/29/51/33/176295133.db2.gz UIVJPMATMKSMMI-YPMHNXCESA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1c[nH+]cn1C ZINC000336436985 176310576 /nfs/dbraw/zinc/31/05/76/176310576.db2.gz GFHMYWDYIHVBJF-GHMZBOCLSA-N 2 2 222.336 0.945 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1c[nH+]cn1C ZINC000336436985 176310579 /nfs/dbraw/zinc/31/05/79/176310579.db2.gz GFHMYWDYIHVBJF-GHMZBOCLSA-N 2 2 222.336 0.945 20 0 BCADLP C[C@@H]1CC[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000669585658 487633374 /nfs/dbraw/zinc/63/33/74/487633374.db2.gz IAEJSVDWUTYTEW-VWYCJHECSA-N 2 2 240.351 0.069 20 0 BCADLP C[C@@H]1C[N@H+](C)CCN1CC[NH+]1CCOC[C@H]1C ZINC000337191381 176336407 /nfs/dbraw/zinc/33/64/07/176336407.db2.gz SKYGEPDUFOYWKQ-CHWSQXEVSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1C[N@@H+](C)CCN1CC[NH+]1CCOC[C@H]1C ZINC000337191381 176336408 /nfs/dbraw/zinc/33/64/08/176336408.db2.gz SKYGEPDUFOYWKQ-CHWSQXEVSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1C[NH+](C)CCN1CC[N@@H+]1CCOC[C@H]1C ZINC000337191381 176336410 /nfs/dbraw/zinc/33/64/10/176336410.db2.gz SKYGEPDUFOYWKQ-CHWSQXEVSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1C[NH+](C)CCN1CC[N@H+]1CCOC[C@H]1C ZINC000337191381 176336412 /nfs/dbraw/zinc/33/64/12/176336412.db2.gz SKYGEPDUFOYWKQ-CHWSQXEVSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000336754180 176342626 /nfs/dbraw/zinc/34/26/26/176342626.db2.gz IAFYEGPQCKPKME-USZNOCQGSA-N 2 2 212.337 0.951 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000336754180 176342627 /nfs/dbraw/zinc/34/26/27/176342627.db2.gz IAFYEGPQCKPKME-USZNOCQGSA-N 2 2 212.337 0.951 20 0 BCADLP C[C@@H]1C[C@@H](C)[NH+]1CC(=O)N1CC[NH+](C)CC1 ZINC000336622754 176364412 /nfs/dbraw/zinc/36/44/12/176364412.db2.gz LIBNKFSMYSRUKQ-GHMZBOCLSA-N 2 2 225.336 0.243 20 0 BCADLP C[C@@H]1C[C@@H](NCC[NH+]2CCC2)CC[N@@H+]1C ZINC000309098290 176375211 /nfs/dbraw/zinc/37/52/11/176375211.db2.gz DOYRWRDJQGZENF-NEPJUHHUSA-N 2 2 211.353 0.764 20 0 BCADLP C[C@@H]1C[C@@H](NCC[NH+]2CCC2)CC[N@H+]1C ZINC000309098290 176375212 /nfs/dbraw/zinc/37/52/12/176375212.db2.gz DOYRWRDJQGZENF-NEPJUHHUSA-N 2 2 211.353 0.764 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnn2C)CC[N@@H+]1C ZINC000093232517 176377922 /nfs/dbraw/zinc/37/79/22/176377922.db2.gz CDQADHWRPKOBBI-MNOVXSKESA-N 2 2 222.336 0.992 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnn2C)CC[N@H+]1C ZINC000093232517 176377923 /nfs/dbraw/zinc/37/79/23/176377923.db2.gz CDQADHWRPKOBBI-MNOVXSKESA-N 2 2 222.336 0.992 20 0 BCADLP CN1CC[N@H+](C[C@H]2CC[NH2+]C2)C(C)(C)C1=O ZINC000087289256 487635323 /nfs/dbraw/zinc/63/53/23/487635323.db2.gz WWBARICSOGIPFG-JTQLQIEISA-N 2 2 225.336 0.149 20 0 BCADLP CN1CC[N@@H+](C[C@H]2CC[NH2+]C2)C(C)(C)C1=O ZINC000087289256 487635327 /nfs/dbraw/zinc/63/53/27/487635327.db2.gz WWBARICSOGIPFG-JTQLQIEISA-N 2 2 225.336 0.149 20 0 BCADLP C[C@H]([NH2+]CC[NH+](C)C)C(C)(C)n1cncn1 ZINC000336679492 176847340 /nfs/dbraw/zinc/84/73/40/176847340.db2.gz AKXLLKXIPSPICZ-JTQLQIEISA-N 2 2 225.340 0.553 20 0 BCADLP C[C@H](O)[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000166115147 177009132 /nfs/dbraw/zinc/00/91/32/177009132.db2.gz RMTGWDCEFRSMEY-NWDGAFQWSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H](O)[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000166115147 177009133 /nfs/dbraw/zinc/00/91/33/177009133.db2.gz RMTGWDCEFRSMEY-NWDGAFQWSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H]1CCC[N@H+](CC(=O)N(C)C)[C@@H]1C[NH3+] ZINC000043617026 177096858 /nfs/dbraw/zinc/09/68/58/177096858.db2.gz UKPKMXJBAVXKLU-VHSXEESVSA-N 2 2 213.325 0.134 20 0 BCADLP C[C@H]1CCC[N@@H+](CC(=O)N(C)C)[C@@H]1C[NH3+] ZINC000043617026 177096859 /nfs/dbraw/zinc/09/68/59/177096859.db2.gz UKPKMXJBAVXKLU-VHSXEESVSA-N 2 2 213.325 0.134 20 0 BCADLP C[C@H]1CC[N@H+](CCn2cc[nH+]c2)[C@H]1CO ZINC000248892883 177162694 /nfs/dbraw/zinc/16/26/94/177162694.db2.gz FZONMVFZMVXDQH-QWRGUYRKSA-N 2 2 209.293 0.586 20 0 BCADLP C[C@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@H]1CO ZINC000248892883 177162695 /nfs/dbraw/zinc/16/26/95/177162695.db2.gz FZONMVFZMVXDQH-QWRGUYRKSA-N 2 2 209.293 0.586 20 0 BCADLP C[C@H]1CC[NH2+][C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000126990314 177175141 /nfs/dbraw/zinc/17/51/41/177175141.db2.gz XZGMNAJQYLHFRK-WDEREUQCSA-N 2 2 236.319 0.387 20 0 BCADLP C[C@@H]1CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@H](C)[NH2+]1 ZINC000360820061 177224939 /nfs/dbraw/zinc/22/49/39/177224939.db2.gz VCJYKWBORGCENV-HRDYMLBCSA-N 2 2 247.289 0.192 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1cnccn1 ZINC000336751836 177236181 /nfs/dbraw/zinc/23/61/81/177236181.db2.gz COLLGRZYSYVKEA-JQWIXIFHSA-N 2 2 220.320 0.559 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1cnccn1 ZINC000336751836 177236182 /nfs/dbraw/zinc/23/61/82/177236182.db2.gz COLLGRZYSYVKEA-JQWIXIFHSA-N 2 2 220.320 0.559 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000358085059 177239098 /nfs/dbraw/zinc/23/90/98/177239098.db2.gz MCIHZZCYJNAVJN-GXFFZTMASA-N 2 2 247.342 0.825 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000358085059 177239100 /nfs/dbraw/zinc/23/91/00/177239100.db2.gz MCIHZZCYJNAVJN-GXFFZTMASA-N 2 2 247.342 0.825 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1ncn(C)n1 ZINC000358393187 177240224 /nfs/dbraw/zinc/24/02/24/177240224.db2.gz GESZBEQWHYUKOC-JQWIXIFHSA-N 2 2 249.362 0.430 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1ncn(C)n1 ZINC000358393187 177240226 /nfs/dbraw/zinc/24/02/26/177240226.db2.gz GESZBEQWHYUKOC-JQWIXIFHSA-N 2 2 249.362 0.430 20 0 BCADLP C[C@@H]1CN(CC[NH+]2CCOCC2)C[C@H](C)[NH2+]1 ZINC000069629501 177251764 /nfs/dbraw/zinc/25/17/64/177251764.db2.gz ARTMIHJYZPBFDJ-TXEJJXNPSA-N 2 2 227.352 0.001 20 0 BCADLP C[C@@H]1CN(CCn2cc[nH+]c2)C[C@H](C)[N@H+]1C ZINC000293286704 177256155 /nfs/dbraw/zinc/25/61/55/177256155.db2.gz CXHBQEAKZQUOPT-TXEJJXNPSA-N 2 2 222.336 0.908 20 0 BCADLP C[C@@H]1CN(CCn2cc[nH+]c2)C[C@H](C)[N@@H+]1C ZINC000293286704 177256157 /nfs/dbraw/zinc/25/61/57/177256157.db2.gz CXHBQEAKZQUOPT-TXEJJXNPSA-N 2 2 222.336 0.908 20 0 BCADLP C[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H](C)[N@H+]1C ZINC000293407579 177269487 /nfs/dbraw/zinc/26/94/87/177269487.db2.gz MDPSTSOOUDJJIK-PHIMTYICSA-N 2 2 222.336 0.945 20 0 BCADLP C[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H](C)[N@@H+]1C ZINC000293407579 177269488 /nfs/dbraw/zinc/26/94/88/177269488.db2.gz MDPSTSOOUDJJIK-PHIMTYICSA-N 2 2 222.336 0.945 20 0 BCADLP C[C@H]1COCC[N@@H+]1CCc1c[nH+]cn1C ZINC000289512503 177291959 /nfs/dbraw/zinc/29/19/59/177291959.db2.gz FMSOMBWARHBUBM-JTQLQIEISA-N 2 2 209.293 0.683 20 0 BCADLP C[C@H]1COCC[N@H+]1CCc1c[nH+]cn1C ZINC000289512503 177291960 /nfs/dbraw/zinc/29/19/60/177291960.db2.gz FMSOMBWARHBUBM-JTQLQIEISA-N 2 2 209.293 0.683 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CC(=O)NCC(F)F)CC[N@@H+]1C ZINC000360922056 177330647 /nfs/dbraw/zinc/33/06/47/177330647.db2.gz YSAXHLPHMYABFY-IUCAKERBSA-N 2 2 249.305 0.440 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CC(=O)NCC(F)F)CC[N@H+]1C ZINC000360922056 177330649 /nfs/dbraw/zinc/33/06/49/177330649.db2.gz YSAXHLPHMYABFY-IUCAKERBSA-N 2 2 249.305 0.440 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]Cc2cnn(C)c2)CC[N@@H+]1C ZINC000090720873 177333252 /nfs/dbraw/zinc/33/32/52/177333252.db2.gz JQHFEVHOAVWOPS-JQWIXIFHSA-N 2 2 222.336 0.992 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]Cc2cnn(C)c2)CC[N@H+]1C ZINC000090720873 177333254 /nfs/dbraw/zinc/33/32/54/177333254.db2.gz JQHFEVHOAVWOPS-JQWIXIFHSA-N 2 2 222.336 0.992 20 0 BCADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nnnn1C1CC1 ZINC000131642553 177362380 /nfs/dbraw/zinc/36/23/80/177362380.db2.gz OTIUKEQCTVRRKN-DTWKUNHWSA-N 2 2 236.323 0.177 20 0 BCADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nnnn1C1CC1 ZINC000131642553 177362382 /nfs/dbraw/zinc/36/23/82/177362382.db2.gz OTIUKEQCTVRRKN-DTWKUNHWSA-N 2 2 236.323 0.177 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCCCO)C[N@@H+]1C1CC1 ZINC000193280328 177369648 /nfs/dbraw/zinc/36/96/48/177369648.db2.gz YWOBIYOIRABWFP-QWRGUYRKSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCCCO)C[N@H+]1C1CC1 ZINC000193280328 177369649 /nfs/dbraw/zinc/36/96/49/177369649.db2.gz YWOBIYOIRABWFP-QWRGUYRKSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cnc2cnccn12 ZINC000333122944 177396875 /nfs/dbraw/zinc/39/68/75/177396875.db2.gz IOJYLDBAAFLLFT-ZYHUDNBSSA-N 2 2 245.330 0.959 20 0 BCADLP C[NH+](C)C/C=C\C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000492840464 226063990 /nfs/dbraw/zinc/06/39/90/226063990.db2.gz PCWSMOGTXQGONE-UMBAGQNISA-N 2 2 248.330 0.501 20 0 BCADLP C[NH+](C)CC=CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000492840464 226063992 /nfs/dbraw/zinc/06/39/92/226063992.db2.gz PCWSMOGTXQGONE-UMBAGQNISA-N 2 2 248.330 0.501 20 0 BCADLP C[NH+](C)C(C)(C)CNC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493315376 226182963 /nfs/dbraw/zinc/18/29/63/226182963.db2.gz FOTVNFIXCARQRJ-WAYWQWQTSA-N 2 2 236.319 0.879 20 0 BCADLP C[NH+](C)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493123929 226133129 /nfs/dbraw/zinc/13/31/29/226133129.db2.gz DRIHSDADZMCZOP-ONEGZZNKSA-N 2 2 208.265 0.101 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493706360 226250396 /nfs/dbraw/zinc/25/03/96/226250396.db2.gz LXMQNCWDGXUKDW-VMZHVLLKSA-N 2 2 245.286 0.824 20 0 BCADLP O=C(/C=C/c1[nH]cc[nH+]1)N1CC(n2cc[nH+]c2)C1 ZINC000493743623 226252009 /nfs/dbraw/zinc/25/20/09/226252009.db2.gz DJONJCXXJJCQLK-OWOJBTEDSA-N 2 2 243.270 0.703 20 0 BCADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1nncn1C ZINC000494789638 226269714 /nfs/dbraw/zinc/26/97/14/226269714.db2.gz DAXCZWITHWVUPD-QWRGUYRKSA-N 2 2 237.351 0.950 20 0 BCADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1nncn1C ZINC000494789638 226269715 /nfs/dbraw/zinc/26/97/15/226269715.db2.gz DAXCZWITHWVUPD-QWRGUYRKSA-N 2 2 237.351 0.950 20 0 BCADLP COCC(COC)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400457198 226343878 /nfs/dbraw/zinc/34/38/78/226343878.db2.gz QEXGSJQUBJGDKU-GXSJLCMTSA-N 2 2 216.325 0.378 20 0 BCADLP C[NH2+]CCC[N@H+](C)CC(=O)N1CCCC1 ZINC000087472639 487660724 /nfs/dbraw/zinc/66/07/24/487660724.db2.gz JJKJOATZOWSYOG-UHFFFAOYSA-N 2 2 213.325 0.150 20 0 BCADLP C[NH2+]CCC[N@@H+](C)CC(=O)N1CCCC1 ZINC000087472639 487660731 /nfs/dbraw/zinc/66/07/31/487660731.db2.gz JJKJOATZOWSYOG-UHFFFAOYSA-N 2 2 213.325 0.150 20 0 BCADLP Cc1cc[nH+]c(NC[C@@H]2C[NH2+]CCN2C)c1 ZINC000394723397 262745643 /nfs/dbraw/zinc/74/56/43/262745643.db2.gz DBIWSHKDGAGHOK-NSHDSACASA-N 2 2 220.320 0.706 20 0 BCADLP Cn1ncnc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000383747845 487669682 /nfs/dbraw/zinc/66/96/82/487669682.db2.gz ZCCUJSCPPQUMEV-JQWIXIFHSA-N 2 2 235.335 0.376 20 0 BCADLP Cn1ncnc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000383747845 487669689 /nfs/dbraw/zinc/66/96/89/487669689.db2.gz ZCCUJSCPPQUMEV-JQWIXIFHSA-N 2 2 235.335 0.376 20 0 BCADLP CCC[C@H](C)CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613363 487671601 /nfs/dbraw/zinc/67/16/01/487671601.db2.gz LOGROIRGRBPNHZ-RYUDHWBXSA-N 2 2 213.369 0.997 20 0 BCADLP CCC[C@H](C)CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613363 487671603 /nfs/dbraw/zinc/67/16/03/487671603.db2.gz LOGROIRGRBPNHZ-RYUDHWBXSA-N 2 2 213.369 0.997 20 0 BCADLP CCC[C@H](C)C[N@@H+]1CCN(C)C[C@@H]1C[NH3+] ZINC000087613363 487671604 /nfs/dbraw/zinc/67/16/04/487671604.db2.gz LOGROIRGRBPNHZ-RYUDHWBXSA-N 2 2 213.369 0.997 20 0 BCADLP CCC[C@H](C)C[N@H+]1CCN(C)C[C@@H]1C[NH3+] ZINC000087613363 487671606 /nfs/dbraw/zinc/67/16/06/487671606.db2.gz LOGROIRGRBPNHZ-RYUDHWBXSA-N 2 2 213.369 0.997 20 0 BCADLP O=C1C[C@H]([NH2+]CCn2cc[nH+]c2)CCCN1 ZINC000082667448 487714114 /nfs/dbraw/zinc/71/41/14/487714114.db2.gz UAYJSZBVJHEWBO-SNVBAGLBSA-N 2 2 222.292 0.141 20 0 BCADLP Cc1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cn1 ZINC000313364838 487721030 /nfs/dbraw/zinc/72/10/30/487721030.db2.gz XXNUZKLJYXPFRF-CYBMUJFWSA-N 2 2 235.331 0.940 20 0 BCADLP Cc1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cn1 ZINC000313364838 487721038 /nfs/dbraw/zinc/72/10/38/487721038.db2.gz XXNUZKLJYXPFRF-CYBMUJFWSA-N 2 2 235.331 0.940 20 0 BCADLP CC[N@H+](C[C@H]1CCCO1)C[C@H]1C[NH2+]CCO1 ZINC000249825950 487724740 /nfs/dbraw/zinc/72/47/40/487724740.db2.gz NEYZOPKYPVYAFT-VXGBXAGGSA-N 2 2 228.336 0.476 20 0 BCADLP CC[N@@H+](C[C@H]1CCCO1)C[C@H]1C[NH2+]CCO1 ZINC000249825950 487724743 /nfs/dbraw/zinc/72/47/43/487724743.db2.gz NEYZOPKYPVYAFT-VXGBXAGGSA-N 2 2 228.336 0.476 20 0 BCADLP CCN(CCO)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000681108862 487728236 /nfs/dbraw/zinc/72/82/36/487728236.db2.gz NHUZSIYEBQYOEM-QWHCGFSZSA-N 2 2 243.395 0.373 20 0 BCADLP CCN(CCO)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000681108862 487728241 /nfs/dbraw/zinc/72/82/41/487728241.db2.gz NHUZSIYEBQYOEM-QWHCGFSZSA-N 2 2 243.395 0.373 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250347644 487730622 /nfs/dbraw/zinc/73/06/22/487730622.db2.gz RIQMOKVIUUYOGK-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP CN(C)C(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250347644 487730628 /nfs/dbraw/zinc/73/06/28/487730628.db2.gz RIQMOKVIUUYOGK-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP CCOC[C@H](O)C[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000309948271 487731466 /nfs/dbraw/zinc/73/14/66/487731466.db2.gz FANKAEMVOOUQID-UTUOFQBUSA-N 2 2 230.352 0.314 20 0 BCADLP CCOC[C@H](O)C[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000309948271 487731468 /nfs/dbraw/zinc/73/14/68/487731468.db2.gz FANKAEMVOOUQID-UTUOFQBUSA-N 2 2 230.352 0.314 20 0 BCADLP Cn1ncnc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000088580881 487735237 /nfs/dbraw/zinc/73/52/37/487735237.db2.gz DYPLENJNJYMBDY-LBPRGKRZSA-N 2 2 249.362 0.779 20 0 BCADLP CC(C)n1ncnc1C[NH2+]CCn1cc[nH+]c1 ZINC000088590184 487736080 /nfs/dbraw/zinc/73/60/80/487736080.db2.gz HRWXATYAIRHZMH-UHFFFAOYSA-N 2 2 234.307 0.845 20 0 BCADLP CCn1ncnc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000088589720 487738694 /nfs/dbraw/zinc/73/86/94/487738694.db2.gz SRFFZGOHTFTXQP-NSHDSACASA-N 2 2 249.362 0.872 20 0 BCADLP CCn1ncnc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000088589720 487738703 /nfs/dbraw/zinc/73/87/03/487738703.db2.gz SRFFZGOHTFTXQP-NSHDSACASA-N 2 2 249.362 0.872 20 0 BCADLP CCn1ncnc1C[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000088589532 487738754 /nfs/dbraw/zinc/73/87/54/487738754.db2.gz FTOPJIFDSIXUSD-LLVKDONJSA-N 2 2 237.351 0.729 20 0 BCADLP CCn1ncnc1C[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000088589532 487738759 /nfs/dbraw/zinc/73/87/59/487738759.db2.gz FTOPJIFDSIXUSD-LLVKDONJSA-N 2 2 237.351 0.729 20 0 BCADLP CCC[C@@H](C)CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000251319001 487753914 /nfs/dbraw/zinc/75/39/14/487753914.db2.gz LOGROIRGRBPNHZ-VXGBXAGGSA-N 2 2 213.369 0.997 20 0 BCADLP CCC[C@@H](C)CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000251319001 487753920 /nfs/dbraw/zinc/75/39/20/487753920.db2.gz LOGROIRGRBPNHZ-VXGBXAGGSA-N 2 2 213.369 0.997 20 0 BCADLP CCC[C@@H](C)C[N@@H+]1CCN(C)C[C@H]1C[NH3+] ZINC000251319001 487753924 /nfs/dbraw/zinc/75/39/24/487753924.db2.gz LOGROIRGRBPNHZ-VXGBXAGGSA-N 2 2 213.369 0.997 20 0 BCADLP CCC[C@@H](C)C[N@H+]1CCN(C)C[C@H]1C[NH3+] ZINC000251319001 487753930 /nfs/dbraw/zinc/75/39/30/487753930.db2.gz LOGROIRGRBPNHZ-VXGBXAGGSA-N 2 2 213.369 0.997 20 0 BCADLP CN(C)C(=O)N1CC[N@H+](CCC[NH3+])C(C)(C)C1 ZINC000334881785 487776756 /nfs/dbraw/zinc/77/67/56/487776756.db2.gz LIGQDVZDZAQCQU-UHFFFAOYSA-N 2 2 242.367 0.413 20 0 BCADLP CN(C)C(=O)N1CC[N@@H+](CCC[NH3+])C(C)(C)C1 ZINC000334881785 487776763 /nfs/dbraw/zinc/77/67/63/487776763.db2.gz LIGQDVZDZAQCQU-UHFFFAOYSA-N 2 2 242.367 0.413 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C1([NH+](C)C)CC1 ZINC000666449249 487811428 /nfs/dbraw/zinc/81/14/28/487811428.db2.gz AJQXBGZEVULNBY-SNVBAGLBSA-N 2 2 236.319 0.482 20 0 BCADLP c1cn(CCC[N@@H+]2CC[C@H](n3cncn3)C2)c[nH+]1 ZINC000681604068 487823160 /nfs/dbraw/zinc/82/31/60/487823160.db2.gz ZJQLPFNLCWCDAC-LBPRGKRZSA-N 2 2 246.318 0.812 20 0 BCADLP c1cn(CCC[N@H+]2CC[C@H](n3cncn3)C2)c[nH+]1 ZINC000681604068 487823162 /nfs/dbraw/zinc/82/31/62/487823162.db2.gz ZJQLPFNLCWCDAC-LBPRGKRZSA-N 2 2 246.318 0.812 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000681605156 487823336 /nfs/dbraw/zinc/82/33/36/487823336.db2.gz SYKHBYWJUKFTMQ-GFCCVEGCSA-N 2 2 246.318 0.730 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000681605156 487823343 /nfs/dbraw/zinc/82/33/43/487823343.db2.gz SYKHBYWJUKFTMQ-GFCCVEGCSA-N 2 2 246.318 0.730 20 0 BCADLP C[N@H+](CC[S@@](C)=O)C[C@H]1CCC[NH+](C)C1 ZINC000827878465 587406754 /nfs/dbraw/zinc/40/67/54/587406754.db2.gz WUXYTDZKRBGIKC-XHDPSFHLSA-N 2 2 232.393 0.639 20 0 BCADLP C[N@@H+](CC[S@@](C)=O)C[C@H]1CCC[NH+](C)C1 ZINC000827878465 587406756 /nfs/dbraw/zinc/40/67/56/587406756.db2.gz WUXYTDZKRBGIKC-XHDPSFHLSA-N 2 2 232.393 0.639 20 0 BCADLP C[NH+](CC[S@@](C)=O)C[C@H]1CCC[N@H+](C)C1 ZINC000827878465 587406757 /nfs/dbraw/zinc/40/67/57/587406757.db2.gz WUXYTDZKRBGIKC-XHDPSFHLSA-N 2 2 232.393 0.639 20 0 BCADLP C[NH+](CC[S@@](C)=O)C[C@H]1CCC[N@@H+](C)C1 ZINC000827878465 587406759 /nfs/dbraw/zinc/40/67/59/587406759.db2.gz WUXYTDZKRBGIKC-XHDPSFHLSA-N 2 2 232.393 0.639 20 0 BCADLP Cc1cccc(CC[NH2+][C@@H]2CC[NH2+]C2)n1 ZINC000415105965 487837821 /nfs/dbraw/zinc/83/78/21/487837821.db2.gz NKLLMFCWQSQISZ-GFCCVEGCSA-N 2 2 205.305 0.884 20 0 BCADLP COc1c(C)[nH+]cnc1N1CCC[C@@H]([NH3+])C1 ZINC000212524103 487846151 /nfs/dbraw/zinc/84/61/51/487846151.db2.gz ISFGOOUGLLKVAM-SECBINFHSA-N 2 2 222.292 0.721 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1CC[NH2+]C1 ZINC000089741632 487850576 /nfs/dbraw/zinc/85/05/76/487850576.db2.gz XMXKBAGBNCMSBC-GHMZBOCLSA-N 2 2 236.319 0.387 20 0 BCADLP C[NH+]1CCC([N@@H+](CCO)Cc2cn[nH]c2)CC1 ZINC000676414141 487850430 /nfs/dbraw/zinc/85/04/30/487850430.db2.gz PBJBMKYWLDDWQT-UHFFFAOYSA-N 2 2 238.335 0.298 20 0 BCADLP COC[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000069717973 322951406 /nfs/dbraw/zinc/95/14/06/322951406.db2.gz PMBUJLYGYPKZBC-SECBINFHSA-N 2 2 226.324 0.611 20 0 BCADLP COC(=O)CCC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000373144260 487861881 /nfs/dbraw/zinc/86/18/81/487861881.db2.gz ZNMLKNPJZJMEFO-NWDGAFQWSA-N 2 2 240.347 0.966 20 0 BCADLP COC(=O)CCC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000373144260 487861885 /nfs/dbraw/zinc/86/18/85/487861885.db2.gz ZNMLKNPJZJMEFO-NWDGAFQWSA-N 2 2 240.347 0.966 20 0 BCADLP COC(=O)CCC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000373144260 487861888 /nfs/dbraw/zinc/86/18/88/487861888.db2.gz ZNMLKNPJZJMEFO-NWDGAFQWSA-N 2 2 240.347 0.966 20 0 BCADLP COC(=O)CCC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000373144260 487861894 /nfs/dbraw/zinc/86/18/94/487861894.db2.gz ZNMLKNPJZJMEFO-NWDGAFQWSA-N 2 2 240.347 0.966 20 0 BCADLP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770226 487876975 /nfs/dbraw/zinc/87/69/75/487876975.db2.gz PSWVEQZMXDWGOR-QWRGUYRKSA-N 2 2 248.392 0.541 20 0 BCADLP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770227 487877495 /nfs/dbraw/zinc/87/74/95/487877495.db2.gz PSWVEQZMXDWGOR-WDEREUQCSA-N 2 2 248.392 0.541 20 0 BCADLP C[NH2+]CCNCc1c[nH+]c2ccccn12 ZINC000666777148 487878811 /nfs/dbraw/zinc/87/88/11/487878811.db2.gz IYKDIXWIRQCZBN-UHFFFAOYSA-N 2 2 204.277 0.643 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000663238750 487879139 /nfs/dbraw/zinc/87/91/39/487879139.db2.gz CUPPDQHGMVVWRX-HTQZYQBOSA-N 2 2 237.307 0.620 20 0 BCADLP COc1c(N)nc[nH+]c1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000663238750 487879143 /nfs/dbraw/zinc/87/91/43/487879143.db2.gz CUPPDQHGMVVWRX-HTQZYQBOSA-N 2 2 237.307 0.620 20 0 BCADLP COCC(C)(C)C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666948255 487889702 /nfs/dbraw/zinc/88/97/02/487889702.db2.gz ZKMQFUJHVARLHZ-UWVGGRQHSA-N 2 2 218.316 0.949 20 0 BCADLP CN1CCC[C@H]([NH+]2CCC([NH+](C)C)CC2)C1=O ZINC000679310761 487892729 /nfs/dbraw/zinc/89/27/29/487892729.db2.gz BPAOWLHQBKSMEL-LBPRGKRZSA-N 2 2 239.363 0.633 20 0 BCADLP CN1CCC[C@@H]([NH+]2CCC([NH+](C)C)CC2)C1=O ZINC000679310754 487892869 /nfs/dbraw/zinc/89/28/69/487892869.db2.gz BPAOWLHQBKSMEL-GFCCVEGCSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@H](C[NH3+])[NH2+]Cc1cnc2ccccn12 ZINC000666866765 487894670 /nfs/dbraw/zinc/89/46/70/487894670.db2.gz PJRIJVZVXRSODD-SECBINFHSA-N 2 2 204.277 0.771 20 0 BCADLP O=c1ccc(C[NH2+]CCCn2cc[nH+]c2)c[nH]1 ZINC000083358787 487904738 /nfs/dbraw/zinc/90/47/38/487904738.db2.gz AVIREMRHQPRIQA-UHFFFAOYSA-N 2 2 232.287 0.751 20 0 BCADLP CCn1nccc1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666945280 487909740 /nfs/dbraw/zinc/90/97/40/487909740.db2.gz IGMVWTJOBAKNDR-UWVGGRQHSA-N 2 2 226.299 0.693 20 0 BCADLP CCC[C@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000668541217 487911505 /nfs/dbraw/zinc/91/15/05/487911505.db2.gz JCUGXDTVGDOYOT-WDEREUQCSA-N 2 2 242.367 0.459 20 0 BCADLP CCC[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000668541217 487911509 /nfs/dbraw/zinc/91/15/09/487911509.db2.gz JCUGXDTVGDOYOT-WDEREUQCSA-N 2 2 242.367 0.459 20 0 BCADLP CC[C@@H](NC(=O)[C@H](C)[NH+](C)C)c1[nH]cc[nH+]1 ZINC000682363719 487939308 /nfs/dbraw/zinc/93/93/08/487939308.db2.gz UOQNTEYQJDAAFJ-DTWKUNHWSA-N 2 2 224.308 0.927 20 0 BCADLP C[NH2+]Cc1noc([C@@H]([NH3+])c2ccccc2)n1 ZINC000566215059 322970285 /nfs/dbraw/zinc/97/02/85/322970285.db2.gz YSWLJPJQRXIJIL-JTQLQIEISA-N 2 2 218.260 0.837 20 0 BCADLP CC[C@H](CCO)[NH2+]Cc1c[nH+]c(C)n1C ZINC000570463987 323060237 /nfs/dbraw/zinc/06/02/37/323060237.db2.gz JGTIYEPLBKTNIB-SNVBAGLBSA-N 2 2 211.309 0.979 20 0 BCADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]CCC(N)=O ZINC000518759143 323075652 /nfs/dbraw/zinc/07/56/52/323075652.db2.gz KUWIQXZNBKKPRC-SNVBAGLBSA-N 2 2 213.325 0.326 20 0 BCADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]CCC(N)=O ZINC000518759143 323075653 /nfs/dbraw/zinc/07/56/53/323075653.db2.gz KUWIQXZNBKKPRC-SNVBAGLBSA-N 2 2 213.325 0.326 20 0 BCADLP CN(CCCn1cc[nH+]c1)C(=O)CC[NH3+] ZINC000563090587 323091627 /nfs/dbraw/zinc/09/16/27/323091627.db2.gz IZRGAJOXCMVCQX-UHFFFAOYSA-N 2 2 210.281 0.080 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCOC[C@@H]1CCCO1 ZINC000563153282 323096021 /nfs/dbraw/zinc/09/60/21/323096021.db2.gz HWNCIXWGGNXQQO-STQMWFEESA-N 2 2 242.363 0.995 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@H+]1CCOC[C@@H]1CCCO1 ZINC000563153282 323096022 /nfs/dbraw/zinc/09/60/22/323096022.db2.gz HWNCIXWGGNXQQO-STQMWFEESA-N 2 2 242.363 0.995 20 0 BCADLP CN(CC[NH3+])C(=O)Cc1cn2ccccc2[nH+]1 ZINC000563205726 323101872 /nfs/dbraw/zinc/10/18/72/323101872.db2.gz BNEANQHRHZLKHZ-UHFFFAOYSA-N 2 2 232.287 0.294 20 0 BCADLP C[C@H](CC(=O)NCc1[nH]cc[nH+]1)n1cc[nH+]c1 ZINC000563244351 323106574 /nfs/dbraw/zinc/10/65/74/323106574.db2.gz XIKWNSHRTFYMEO-SECBINFHSA-N 2 2 233.275 0.874 20 0 BCADLP C[C@@H](CC(=O)N1CCC[C@@H]([NH3+])C1)n1cc[nH+]c1 ZINC000563339630 323119227 /nfs/dbraw/zinc/11/92/27/323119227.db2.gz VOONGMJUPIJSOT-WDEREUQCSA-N 2 2 236.319 0.784 20 0 BCADLP COc1ccc(C[N@H+](C)C[C@H](O)C[NH3+])c(F)c1 ZINC000310149139 323128427 /nfs/dbraw/zinc/12/84/27/323128427.db2.gz HNSMCECQLOXQNL-SNVBAGLBSA-N 2 2 242.294 0.586 20 0 BCADLP COc1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])c(F)c1 ZINC000310149139 323128428 /nfs/dbraw/zinc/12/84/28/323128428.db2.gz HNSMCECQLOXQNL-SNVBAGLBSA-N 2 2 242.294 0.586 20 0 BCADLP O=C1NCC[C@]12CCC[N@@H+]2CCCn1cc[nH+]c1 ZINC000565168171 323128874 /nfs/dbraw/zinc/12/88/74/323128874.db2.gz BNSGSYMDKGTTIO-CYBMUJFWSA-N 2 2 248.330 0.628 20 0 BCADLP O=C1NCC[C@]12CCC[N@H+]2CCCn1cc[nH+]c1 ZINC000565168171 323128875 /nfs/dbraw/zinc/12/88/75/323128875.db2.gz BNSGSYMDKGTTIO-CYBMUJFWSA-N 2 2 248.330 0.628 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@H](O)C(F)F)n1C ZINC000571298108 323140731 /nfs/dbraw/zinc/14/07/31/323140731.db2.gz BUDBFXACSYJINV-QMMMGPOBSA-N 2 2 219.235 0.444 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CC[C@H](C)[S@@](C)=O)n1C ZINC000571344015 323142107 /nfs/dbraw/zinc/14/21/07/323142107.db2.gz BCQGDRHSWLHCGK-XXFAHNHDSA-N 2 2 243.376 0.975 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CC[C@H](C)[S@](C)=O)n1C ZINC000571344012 323142131 /nfs/dbraw/zinc/14/21/31/323142131.db2.gz BCQGDRHSWLHCGK-FVMDXXJSSA-N 2 2 243.376 0.975 20 0 BCADLP [NH3+]CC1CC[NH+](Cc2ncnn2CCF)CC1 ZINC000571404823 323143864 /nfs/dbraw/zinc/14/38/64/323143864.db2.gz ZXBRQOXVTBGNPS-UHFFFAOYSA-N 2 2 241.314 0.418 20 0 BCADLP Cc1c[nH+]c(C)nc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000571460677 323145255 /nfs/dbraw/zinc/14/52/55/323145255.db2.gz BRHOTUDOYCEUNZ-GFCCVEGCSA-N 2 2 248.330 0.614 20 0 BCADLP Cc1c[nH+]c(C)nc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000571460677 323145256 /nfs/dbraw/zinc/14/52/56/323145256.db2.gz BRHOTUDOYCEUNZ-GFCCVEGCSA-N 2 2 248.330 0.614 20 0 BCADLP CC[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000571651810 323150912 /nfs/dbraw/zinc/15/09/12/323150912.db2.gz YESYQIWWVOGGMY-SNVBAGLBSA-N 2 2 224.308 0.560 20 0 BCADLP COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1CCC[NH3+] ZINC000414757334 323151523 /nfs/dbraw/zinc/15/15/23/323151523.db2.gz LAGUEXYLHWZFNE-NXEZZACHSA-N 2 2 214.309 0.609 20 0 BCADLP COC(=O)[C@H]1C[C@H](C)CC[N@H+]1CCC[NH3+] ZINC000414757334 323151524 /nfs/dbraw/zinc/15/15/24/323151524.db2.gz LAGUEXYLHWZFNE-NXEZZACHSA-N 2 2 214.309 0.609 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1CCO[C@H](C)C1 ZINC000532482629 323270548 /nfs/dbraw/zinc/27/05/48/323270548.db2.gz NUPIKXJABFPBNL-XQQFMLRXSA-N 2 2 241.379 0.247 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1CCO[C@H](C)C1 ZINC000532482629 323270551 /nfs/dbraw/zinc/27/05/51/323270551.db2.gz NUPIKXJABFPBNL-XQQFMLRXSA-N 2 2 241.379 0.247 20 0 BCADLP Cn1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)n1 ZINC000309257958 323332935 /nfs/dbraw/zinc/33/29/35/323332935.db2.gz GZZANNPBDJACLM-JQWIXIFHSA-N 2 2 220.320 0.604 20 0 BCADLP Cn1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)n1 ZINC000309257958 323332936 /nfs/dbraw/zinc/33/29/36/323332936.db2.gz GZZANNPBDJACLM-JQWIXIFHSA-N 2 2 220.320 0.604 20 0 BCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC000309338228 323344214 /nfs/dbraw/zinc/34/42/14/323344214.db2.gz JNOXUPZIMPJWDL-RYUDHWBXSA-N 2 2 230.352 0.314 20 0 BCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC000309338228 323344218 /nfs/dbraw/zinc/34/42/18/323344218.db2.gz JNOXUPZIMPJWDL-RYUDHWBXSA-N 2 2 230.352 0.314 20 0 BCADLP Cc1[nH]c(C(=O)NCCOCC[NH+](C)C)c[nH+]1 ZINC000537545961 324078518 /nfs/dbraw/zinc/07/85/18/324078518.db2.gz KAFFCDSTKNSIJH-UHFFFAOYSA-N 2 2 240.307 0.026 20 0 BCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCn1cc[nH+]c1 ZINC000565181043 324203532 /nfs/dbraw/zinc/20/35/32/324203532.db2.gz LMDGFBPIFDRBJQ-SNVBAGLBSA-N 2 2 247.302 0.601 20 0 BCADLP CC(C)COC(=O)N1CC[NH+](CCC[NH3+])CC1 ZINC000037037813 324224027 /nfs/dbraw/zinc/22/40/27/324224027.db2.gz SXQHYCODZSNJOB-UHFFFAOYSA-N 2 2 243.351 0.745 20 0 BCADLP Cc1c[nH+]cn1CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000529522811 324323907 /nfs/dbraw/zinc/32/39/07/324323907.db2.gz WCJZSORQSPFHJP-UHFFFAOYSA-N 2 2 233.275 0.573 20 0 BCADLP Cc1c[nH+]cn1CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000529522811 324323912 /nfs/dbraw/zinc/32/39/12/324323912.db2.gz WCJZSORQSPFHJP-UHFFFAOYSA-N 2 2 233.275 0.573 20 0 BCADLP Cn1cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cn1 ZINC000530177478 324507975 /nfs/dbraw/zinc/50/79/75/324507975.db2.gz IZVPBVJDQMLPBG-NSHDSACASA-N 2 2 220.320 0.794 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(=O)N(C)C ZINC000130090786 325012203 /nfs/dbraw/zinc/01/22/03/325012203.db2.gz CLMOQOKUPDTURS-OUAUKWLOSA-N 2 2 227.352 0.535 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)N(C)C ZINC000130090786 325012207 /nfs/dbraw/zinc/01/22/07/325012207.db2.gz CLMOQOKUPDTURS-OUAUKWLOSA-N 2 2 227.352 0.535 20 0 BCADLP Cc1cc(NC(=O)N[C@@H](C)[C@@H](C)[NH3+])c(C)c[nH+]1 ZINC000667301899 487966923 /nfs/dbraw/zinc/96/69/23/487966923.db2.gz GGSMVHZUDBOQIV-ZJUUUORDSA-N 2 2 236.319 0.978 20 0 BCADLP CCCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000078455754 325418564 /nfs/dbraw/zinc/41/85/64/325418564.db2.gz YNCCFCWIBZWUJN-UHFFFAOYSA-N 2 2 227.352 0.492 20 0 BCADLP Cc1cc(NC(=O)NC[C@@H](C)[NH3+])cc[nH+]1 ZINC000667299093 487967937 /nfs/dbraw/zinc/96/79/37/487967937.db2.gz XORNLJBXTSTVDO-SSDOTTSWSA-N 2 2 208.265 0.281 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)NCC[NH2+]C1CC1 ZINC000667299785 487968217 /nfs/dbraw/zinc/96/82/17/487968217.db2.gz WHEBNNCHFOORMZ-UHFFFAOYSA-N 2 2 234.303 0.685 20 0 BCADLP Cc1cc(NC(=O)NC[C@H](C)[NH3+])cc[nH+]1 ZINC000667299097 487968503 /nfs/dbraw/zinc/96/85/03/487968503.db2.gz XORNLJBXTSTVDO-ZETCQYMHSA-N 2 2 208.265 0.281 20 0 BCADLP COCC[NH2+]C1CC[NH+](CCC[NH3+])CC1 ZINC000564661260 325802061 /nfs/dbraw/zinc/80/20/61/325802061.db2.gz OFAWOLWNNLOPJG-UHFFFAOYSA-N 3 2 215.341 0.036 20 0 BCADLP [NH3+]CCCc1cn(CCCn2cc[nH+]c2)nn1 ZINC000229831866 487970637 /nfs/dbraw/zinc/97/06/37/487970637.db2.gz JLSNORWWCOLMJT-UHFFFAOYSA-N 2 2 234.307 0.456 20 0 BCADLP O=C(Nc1cc[nH+]cc1O)[C@H]1CC12CC[NH2+]CC2 ZINC000566179588 326007470 /nfs/dbraw/zinc/00/74/70/326007470.db2.gz PLBUGWNOENBHNL-SECBINFHSA-N 2 2 247.298 0.537 20 0 BCADLP COC[C@H]([NH3+])C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000566237369 326021242 /nfs/dbraw/zinc/02/12/42/326021242.db2.gz RPSLXWHISZKGPI-NSHDSACASA-N 2 2 249.314 0.097 20 0 BCADLP CC(=O)N1CC([NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000566474612 326053463 /nfs/dbraw/zinc/05/34/63/326053463.db2.gz GUJDUBACZVIPTI-UHFFFAOYSA-N 2 2 239.363 0.680 20 0 BCADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CCC(N)=O ZINC000566734224 326077891 /nfs/dbraw/zinc/07/78/91/326077891.db2.gz ZNIZJPAIQHMBJR-JTQLQIEISA-N 2 2 227.352 0.572 20 0 BCADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CCC(N)=O ZINC000566734224 326077892 /nfs/dbraw/zinc/07/78/92/326077892.db2.gz ZNIZJPAIQHMBJR-JTQLQIEISA-N 2 2 227.352 0.572 20 0 BCADLP C[NH+]1CCN(C(=O)C[NH+]2CCCCCC2)CC1 ZINC000154300874 326139212 /nfs/dbraw/zinc/13/92/12/326139212.db2.gz QOOAEJRSPATMDS-UHFFFAOYSA-N 2 2 239.363 0.636 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CO1 ZINC000567235508 326147985 /nfs/dbraw/zinc/14/79/85/326147985.db2.gz MYCITZRPHUCXRK-LPTSXCQYSA-N 2 2 240.347 0.520 20 0 BCADLP FCCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000567646060 326237430 /nfs/dbraw/zinc/23/74/30/326237430.db2.gz RQNOJUCILDIWGF-WDEREUQCSA-N 2 2 216.300 0.703 20 0 BCADLP [NH3+]CCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000567739141 326253500 /nfs/dbraw/zinc/25/35/00/326253500.db2.gz CJEHLWSUMJFQCT-UHFFFAOYSA-N 3 2 208.309 0.938 20 0 BCADLP CO[C@@H](C[NH3+])C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000567824517 326264129 /nfs/dbraw/zinc/26/41/29/326264129.db2.gz WICJIYJJOHPAPE-IUCAKERBSA-N 2 2 240.307 0.197 20 0 BCADLP O=C(NCCNc1cccc[nH+]1)C1CC[NH2+]CC1 ZINC000567894932 326278529 /nfs/dbraw/zinc/27/85/29/326278529.db2.gz GKOQFSODVPDNOW-UHFFFAOYSA-N 2 2 248.330 0.609 20 0 BCADLP C[C@H](C[NH2+][C@H](C)[C@H](C)O)C[NH+]1CCOCC1 ZINC000568078025 326305378 /nfs/dbraw/zinc/30/53/78/326305378.db2.gz BZZKCTQQVWPXFC-UTUOFQBUSA-N 2 2 230.352 0.314 20 0 BCADLP C[C@@H](CC(=O)N1CC[NH2+][C@@H](C)C1)n1cc[nH+]c1 ZINC000568153068 326314064 /nfs/dbraw/zinc/31/40/64/326314064.db2.gz VIOOVAZRJBNAQR-QWRGUYRKSA-N 2 2 236.319 0.655 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@@H](O)C(C)C)n1C ZINC000568273204 326339124 /nfs/dbraw/zinc/33/91/24/326339124.db2.gz MSOHOJQSWCHCNH-LLVKDONJSA-N 2 2 211.309 0.835 20 0 BCADLP Cc1nc(C)c(C[N@H+](C)C[C@H](O)C[NH3+])s1 ZINC000568516962 326362104 /nfs/dbraw/zinc/36/21/04/326362104.db2.gz VCAIGSXJDKHBAD-SECBINFHSA-N 2 2 229.349 0.511 20 0 BCADLP Cc1nc(C)c(C[N@@H+](C)C[C@H](O)C[NH3+])s1 ZINC000568516962 326362106 /nfs/dbraw/zinc/36/21/06/326362106.db2.gz VCAIGSXJDKHBAD-SECBINFHSA-N 2 2 229.349 0.511 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@H]1C ZINC000568527292 326363241 /nfs/dbraw/zinc/36/32/41/326363241.db2.gz OVTJMZOTEWWXQF-AXFHLTTASA-N 2 2 200.326 0.639 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@H]1C ZINC000568527292 326363243 /nfs/dbraw/zinc/36/32/43/326363243.db2.gz OVTJMZOTEWWXQF-AXFHLTTASA-N 2 2 200.326 0.639 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)[C@H]1C ZINC000568527292 326363245 /nfs/dbraw/zinc/36/32/45/326363245.db2.gz OVTJMZOTEWWXQF-AXFHLTTASA-N 2 2 200.326 0.639 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)[C@H]1C ZINC000568527292 326363248 /nfs/dbraw/zinc/36/32/48/326363248.db2.gz OVTJMZOTEWWXQF-AXFHLTTASA-N 2 2 200.326 0.639 20 0 BCADLP C[NH2+]Cc1noc(C[C@@H](C[NH3+])CC(C)C)n1 ZINC000568533985 326364188 /nfs/dbraw/zinc/36/41/88/326364188.db2.gz RSIMFMOEHQPDSW-VIFPVBQESA-N 2 2 226.324 0.953 20 0 BCADLP CC(C)[C@@H](NC(=O)CC[NH3+])c1[nH]cc[nH+]1 ZINC000568760382 326375560 /nfs/dbraw/zinc/37/55/60/326375560.db2.gz UKIYACUVKHZDKK-SECBINFHSA-N 2 2 210.281 0.572 20 0 BCADLP C[C@H](CC(=O)NCC1=CC[NH2+]CC1)n1cc[nH+]c1 ZINC000568776660 326377036 /nfs/dbraw/zinc/37/70/36/326377036.db2.gz YFHDFLLAUHANDD-LLVKDONJSA-N 2 2 248.330 0.870 20 0 BCADLP CC[NH2+]CCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000569117880 326391148 /nfs/dbraw/zinc/39/11/48/326391148.db2.gz UYYYVOVZOQBNGI-UHFFFAOYSA-N 2 2 210.281 0.448 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@H](CO)C2CC2)n1C ZINC000569260768 326398475 /nfs/dbraw/zinc/39/84/75/326398475.db2.gz VPDLQXPSDYLSAN-LLVKDONJSA-N 2 2 223.320 0.837 20 0 BCADLP [NH3+]CC[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000572842548 326414275 /nfs/dbraw/zinc/41/42/75/326414275.db2.gz HQLMRUIVGQVRRA-VXGBXAGGSA-N 3 2 227.352 0.163 20 0 BCADLP CC[N@@H+]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000677191577 487995136 /nfs/dbraw/zinc/99/51/36/487995136.db2.gz IBZMBEYVLWPIEI-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP CC[N@H+]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000677191577 487995137 /nfs/dbraw/zinc/99/51/37/487995137.db2.gz IBZMBEYVLWPIEI-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP CC[C@H]([NH3+])c1cn(CCn2cc[nH+]c2)nn1 ZINC000229933777 487999718 /nfs/dbraw/zinc/99/97/18/487999718.db2.gz GRRIGDAESGQOPA-VIFPVBQESA-N 2 2 220.280 0.585 20 0 BCADLP COc1c(N)[nH+]cnc1N1CC[NH+](C2CC2)CC1 ZINC000134841745 488000134 /nfs/dbraw/zinc/00/01/34/488000134.db2.gz PUIZDIQPTRZZHH-UHFFFAOYSA-N 2 2 249.318 0.352 20 0 BCADLP CC[N@@H+]1CCN(Cc2c[nH+]cn2C)C[C@@H]1C ZINC000677196242 488001191 /nfs/dbraw/zinc/00/11/91/488001191.db2.gz RSPMRMIJRGZLHG-NSHDSACASA-N 2 2 222.336 0.946 20 0 BCADLP CC[N@H+]1CCN(Cc2c[nH+]cn2C)C[C@@H]1C ZINC000677196242 488001195 /nfs/dbraw/zinc/00/11/95/488001195.db2.gz RSPMRMIJRGZLHG-NSHDSACASA-N 2 2 222.336 0.946 20 0 BCADLP CC[NH+]1CCN(Cc2c[nH+]c(C)n2C)CC1 ZINC000667470746 488015806 /nfs/dbraw/zinc/01/58/06/488015806.db2.gz JOVSZQYWMOCRHJ-UHFFFAOYSA-N 2 2 222.336 0.866 20 0 BCADLP COCC[NH+](CCOC)Cc1c[nH+]c(C)n1C ZINC000667472278 488016923 /nfs/dbraw/zinc/01/69/23/488016923.db2.gz AXSZFMVMNQAXMO-UHFFFAOYSA-N 2 2 241.335 0.823 20 0 BCADLP C[C@@H](C(=O)NCc1c[nH+]cn1C)[NH+]1CC(C)C1 ZINC000514613563 488028415 /nfs/dbraw/zinc/02/84/15/488028415.db2.gz JOPJSWUAGOXQNB-JTQLQIEISA-N 2 2 236.319 0.377 20 0 BCADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655448166 488036116 /nfs/dbraw/zinc/03/61/16/488036116.db2.gz UBOSSTOPYANTAG-GWCFXTLKSA-N 2 2 248.330 0.458 20 0 BCADLP CCCC[N@H+](CC(N)=O)Cc1c[nH+]c(C)n1C ZINC000667531719 488038561 /nfs/dbraw/zinc/03/85/61/488038561.db2.gz NQSYWWUTOLDJTL-UHFFFAOYSA-N 2 2 238.335 0.816 20 0 BCADLP CCCC[N@@H+](CC(N)=O)Cc1c[nH+]c(C)n1C ZINC000667531719 488038569 /nfs/dbraw/zinc/03/85/69/488038569.db2.gz NQSYWWUTOLDJTL-UHFFFAOYSA-N 2 2 238.335 0.816 20 0 BCADLP Cn1nccc1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000236086004 488039969 /nfs/dbraw/zinc/03/99/69/488039969.db2.gz CEZBQCNLPZBCJX-JTQLQIEISA-N 2 2 208.309 0.652 20 0 BCADLP C([N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663493488 488043352 /nfs/dbraw/zinc/04/33/52/488043352.db2.gz IFIVMOQVYBUGHV-RDBSUJKOSA-N 3 2 235.375 0.671 20 0 BCADLP C([N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663493488 488043356 /nfs/dbraw/zinc/04/33/56/488043356.db2.gz IFIVMOQVYBUGHV-RDBSUJKOSA-N 3 2 235.375 0.671 20 0 BCADLP C[C@H](CC[NH3+])NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655451427 488054165 /nfs/dbraw/zinc/05/41/65/488054165.db2.gz JOOGCTJDYKCEBQ-ZJUUUORDSA-N 2 2 236.319 0.299 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCC2(C1)CCOCC2 ZINC000310200879 488071143 /nfs/dbraw/zinc/07/11/43/488071143.db2.gz BOQDHPSVXFLNSE-LBPRGKRZSA-N 2 2 240.347 0.477 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCC2(C1)CCOCC2 ZINC000310200879 488071148 /nfs/dbraw/zinc/07/11/48/488071148.db2.gz BOQDHPSVXFLNSE-LBPRGKRZSA-N 2 2 240.347 0.477 20 0 BCADLP CC(C)C(=O)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000257771355 488087868 /nfs/dbraw/zinc/08/78/68/488087868.db2.gz NGSBCSMTGQZLAI-GFCCVEGCSA-N 2 2 239.363 0.396 20 0 BCADLP CC(C)[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000257798114 488089084 /nfs/dbraw/zinc/08/90/84/488089084.db2.gz VZNFZSREEYSHFB-GHMZBOCLSA-N 2 2 225.336 0.052 20 0 BCADLP CC(C)[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000257798114 488089087 /nfs/dbraw/zinc/08/90/87/488089087.db2.gz VZNFZSREEYSHFB-GHMZBOCLSA-N 2 2 225.336 0.052 20 0 BCADLP Cc1ncc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1C ZINC000667712352 488097409 /nfs/dbraw/zinc/09/74/09/488097409.db2.gz DBGSRTUPBBUJOB-PHIMTYICSA-N 2 2 220.320 0.380 20 0 BCADLP Cc1ncc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1C ZINC000667712352 488097414 /nfs/dbraw/zinc/09/74/14/488097414.db2.gz DBGSRTUPBBUJOB-PHIMTYICSA-N 2 2 220.320 0.380 20 0 BCADLP Cn1ncc(C2CC2)c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000667713012 488098372 /nfs/dbraw/zinc/09/83/72/488098372.db2.gz VITFUZRJQXBKDH-VXGBXAGGSA-N 2 2 246.358 0.949 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CCC(C)(C)[NH3+] ZINC000070086715 487537746 /nfs/dbraw/zinc/53/77/46/487537746.db2.gz YJTBAAPJUQHAMG-SNVBAGLBSA-N 2 2 238.335 0.905 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CCC(C)(C)[NH3+] ZINC000070086714 487537572 /nfs/dbraw/zinc/53/75/72/487537572.db2.gz YJTBAAPJUQHAMG-JTQLQIEISA-N 2 2 238.335 0.905 20 0 BCADLP CC(C)([NH3+])CCC(=O)NCCCn1cc[nH+]c1 ZINC000070086605 487538723 /nfs/dbraw/zinc/53/87/23/487538723.db2.gz BXIDOSDWMWRJJZ-UHFFFAOYSA-N 2 2 238.335 0.907 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+]Cc1c(C)nn(C)c1C ZINC000162126148 487539899 /nfs/dbraw/zinc/53/98/99/487539899.db2.gz XDRHNCIBOICTQX-QMMMGPOBSA-N 2 2 210.325 0.734 20 0 BCADLP CCC1(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653089349 487539625 /nfs/dbraw/zinc/53/96/25/487539625.db2.gz GILGXPFVSJKDBF-JTQLQIEISA-N 2 2 227.352 0.572 20 0 BCADLP CCN1CC[C@H]([N@H+](C)CC(C)(C)[NH3+])C1=O ZINC000662294211 487541930 /nfs/dbraw/zinc/54/19/30/487541930.db2.gz JNOCZTSPGHDSNG-VIFPVBQESA-N 2 2 213.325 0.276 20 0 BCADLP CCN1CC[C@H]([N@@H+](C)CC(C)(C)[NH3+])C1=O ZINC000662294211 487541935 /nfs/dbraw/zinc/54/19/35/487541935.db2.gz JNOCZTSPGHDSNG-VIFPVBQESA-N 2 2 213.325 0.276 20 0 BCADLP Cc1cnn(CC[N@@H+](C)CC(C)(C)[NH3+])c1 ZINC000662294304 487542402 /nfs/dbraw/zinc/54/24/02/487542402.db2.gz KYZJNFHRAWXLLB-UHFFFAOYSA-N 2 2 210.325 0.861 20 0 BCADLP Cc1cnn(CC[N@H+](C)CC(C)(C)[NH3+])c1 ZINC000662294304 487542413 /nfs/dbraw/zinc/54/24/13/487542413.db2.gz KYZJNFHRAWXLLB-UHFFFAOYSA-N 2 2 210.325 0.861 20 0 BCADLP C[C@@H](C(=O)N(C)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC000674287470 487548252 /nfs/dbraw/zinc/54/82/52/487548252.db2.gz GBAMWQLWTNPIRV-QMMMGPOBSA-N 2 2 210.281 0.318 20 0 BCADLP COC[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000685566201 487548674 /nfs/dbraw/zinc/54/86/74/487548674.db2.gz WHNYGWSZTUMDDB-OLZOCXBDSA-N 2 2 242.363 0.552 20 0 BCADLP COC[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000685566201 487548677 /nfs/dbraw/zinc/54/86/77/487548677.db2.gz WHNYGWSZTUMDDB-OLZOCXBDSA-N 2 2 242.363 0.552 20 0 BCADLP COC[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000685566201 487548679 /nfs/dbraw/zinc/54/86/79/487548679.db2.gz WHNYGWSZTUMDDB-OLZOCXBDSA-N 2 2 242.363 0.552 20 0 BCADLP COC[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000685566201 487548690 /nfs/dbraw/zinc/54/86/90/487548690.db2.gz WHNYGWSZTUMDDB-OLZOCXBDSA-N 2 2 242.363 0.552 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1CC=CCC1)C1CC1 ZINC000685571744 487552697 /nfs/dbraw/zinc/55/26/97/487552697.db2.gz KWQPJLZJRPRFMG-LBPRGKRZSA-N 2 2 210.321 0.703 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+]1CC=CCC1)C1CC1 ZINC000685571744 487552699 /nfs/dbraw/zinc/55/26/99/487552699.db2.gz KWQPJLZJRPRFMG-LBPRGKRZSA-N 2 2 210.321 0.703 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+]1CC=CCC1)C1CC1 ZINC000685571744 487552701 /nfs/dbraw/zinc/55/27/01/487552701.db2.gz KWQPJLZJRPRFMG-LBPRGKRZSA-N 2 2 210.321 0.703 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+]1CC=CCC1)C1CC1 ZINC000685571744 487552704 /nfs/dbraw/zinc/55/27/04/487552704.db2.gz KWQPJLZJRPRFMG-LBPRGKRZSA-N 2 2 210.321 0.703 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)[C@@H](C)CO1 ZINC000403749684 488134813 /nfs/dbraw/zinc/13/48/13/488134813.db2.gz BMBUDWNYFLBPTE-TUAOUCFPSA-N 2 2 228.336 0.474 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)[C@@H](C)CO1 ZINC000403749684 488134816 /nfs/dbraw/zinc/13/48/16/488134816.db2.gz BMBUDWNYFLBPTE-TUAOUCFPSA-N 2 2 228.336 0.474 20 0 BCADLP C[N@H+](CCC1CCOCC1)C[C@@H]1C[NH2+]CCO1 ZINC000258852840 488140776 /nfs/dbraw/zinc/14/07/76/488140776.db2.gz GCRISBPEMCEYOY-ZDUSSCGKSA-N 2 2 242.363 0.723 20 0 BCADLP C[N@@H+](CCC1CCOCC1)C[C@@H]1C[NH2+]CCO1 ZINC000258852840 488140781 /nfs/dbraw/zinc/14/07/81/488140781.db2.gz GCRISBPEMCEYOY-ZDUSSCGKSA-N 2 2 242.363 0.723 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCc2cccnc21 ZINC000684955642 487475106 /nfs/dbraw/zinc/47/51/06/487475106.db2.gz PWJTXVGXORRRNL-CHWSQXEVSA-N 2 2 249.358 0.971 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C2CCC1CC2 ZINC000399362264 487475472 /nfs/dbraw/zinc/47/54/72/487475472.db2.gz GTYXKFQOOJSVLY-BPCQOVAHSA-N 2 2 242.363 0.552 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C2CCC1CC2 ZINC000399362264 487475477 /nfs/dbraw/zinc/47/54/77/487475477.db2.gz GTYXKFQOOJSVLY-BPCQOVAHSA-N 2 2 242.363 0.552 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCC2(CCC2)C1 ZINC000380562084 487478322 /nfs/dbraw/zinc/47/83/22/487478322.db2.gz MOSVBSZIIABOLQ-NSHDSACASA-N 2 2 210.321 0.851 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCC2(CCC2)C1 ZINC000380562084 487478324 /nfs/dbraw/zinc/47/83/24/487478324.db2.gz MOSVBSZIIABOLQ-NSHDSACASA-N 2 2 210.321 0.851 20 0 BCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000086272332 487496390 /nfs/dbraw/zinc/49/63/90/487496390.db2.gz DLHPYJQYVWUCQH-CBAPKCEASA-N 2 2 208.265 0.024 20 0 BCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000086272332 487496392 /nfs/dbraw/zinc/49/63/92/487496392.db2.gz DLHPYJQYVWUCQH-CBAPKCEASA-N 2 2 208.265 0.024 20 0 BCADLP COC[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000300059093 487500643 /nfs/dbraw/zinc/50/06/43/487500643.db2.gz ZXDHFJKFZGNLHZ-NWDGAFQWSA-N 2 2 228.336 0.333 20 0 BCADLP COC[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000300059093 487500647 /nfs/dbraw/zinc/50/06/47/487500647.db2.gz ZXDHFJKFZGNLHZ-NWDGAFQWSA-N 2 2 228.336 0.333 20 0 BCADLP COC1CC[NH+](CC[NH2+]C2CCOCC2)CC1 ZINC000062767678 487501884 /nfs/dbraw/zinc/50/18/84/487501884.db2.gz QCPVBTRFCLQXRS-UHFFFAOYSA-N 2 2 242.363 0.866 20 0 BCADLP CC[C@H](O)CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336664302 487517389 /nfs/dbraw/zinc/51/73/89/487517389.db2.gz UQKQIESQKWFGCK-VWYCJHECSA-N 2 2 200.326 0.687 20 0 BCADLP CC[C@H](O)CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336664302 487517397 /nfs/dbraw/zinc/51/73/97/487517397.db2.gz UQKQIESQKWFGCK-VWYCJHECSA-N 2 2 200.326 0.687 20 0 BCADLP CCN(CC[NH3+])Cc1[nH+]ccc(OC)c1OC ZINC000232193401 487521577 /nfs/dbraw/zinc/52/15/77/487521577.db2.gz BGDZFQDJTGWUOS-UHFFFAOYSA-N 2 2 239.319 0.879 20 0 BCADLP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1(C[NH3+])CCC1 ZINC000662274129 487522901 /nfs/dbraw/zinc/52/29/01/487522901.db2.gz REYKAOPOEKSAST-NSHDSACASA-N 3 2 239.363 0.321 20 0 BCADLP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1(C[NH3+])CCC1 ZINC000662274129 487522906 /nfs/dbraw/zinc/52/29/06/487522906.db2.gz REYKAOPOEKSAST-NSHDSACASA-N 3 2 239.363 0.321 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H](CO)CCF ZINC000652018480 487730526 /nfs/dbraw/zinc/73/05/26/487730526.db2.gz USBUWNDAAIITPB-BBBLOLIVSA-N 2 2 204.289 0.247 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H](CO)CCF ZINC000652018480 487730533 /nfs/dbraw/zinc/73/05/33/487730533.db2.gz USBUWNDAAIITPB-BBBLOLIVSA-N 2 2 204.289 0.247 20 0 BCADLP CCn1cc(C[N@H+](C)CC2C[NH+](C)C2)cn1 ZINC000668539725 487905447 /nfs/dbraw/zinc/90/54/47/487905447.db2.gz JUCGAHOHSVFONB-UHFFFAOYSA-N 2 2 222.336 0.896 20 0 BCADLP CCn1cc(C[N@@H+](C)CC2C[NH+](C)C2)cn1 ZINC000668539725 487905452 /nfs/dbraw/zinc/90/54/52/487905452.db2.gz JUCGAHOHSVFONB-UHFFFAOYSA-N 2 2 222.336 0.896 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(O)cc1 ZINC000682406026 487948851 /nfs/dbraw/zinc/94/88/51/487948851.db2.gz HFRJUFNRDIRJID-UHFFFAOYSA-N 2 2 238.331 0.796 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(O)cc1 ZINC000682406026 487948853 /nfs/dbraw/zinc/94/88/53/487948853.db2.gz HFRJUFNRDIRJID-UHFFFAOYSA-N 2 2 238.331 0.796 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CCC3(COC3)C2)n1C ZINC000668719325 488161752 /nfs/dbraw/zinc/16/17/52/488161752.db2.gz VMODFDADJHSYCM-UHFFFAOYSA-N 2 2 221.304 0.951 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CCC3(COC3)C2)n1C ZINC000668719325 488161755 /nfs/dbraw/zinc/16/17/55/488161755.db2.gz VMODFDADJHSYCM-UHFFFAOYSA-N 2 2 221.304 0.951 20 0 BCADLP [NH3+][C@H]1CCC[C@@H]([NH2+]CC(F)(F)CO)C1 ZINC000228648180 488162189 /nfs/dbraw/zinc/16/21/89/488162189.db2.gz ZHRLNMPZKMCIFF-JGVFFNPUSA-N 2 2 208.252 0.474 20 0 BCADLP C[C@H](CO)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000678053646 488188449 /nfs/dbraw/zinc/18/84/49/488188449.db2.gz OQTOIMGORKBCDB-WDEREUQCSA-N 2 2 223.320 0.838 20 0 BCADLP C[C@H](CO)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000678053646 488188451 /nfs/dbraw/zinc/18/84/51/488188451.db2.gz OQTOIMGORKBCDB-WDEREUQCSA-N 2 2 223.320 0.838 20 0 BCADLP CN(C)c1nc(N(C)Cc2[nH+]ccn2C)cc[nH+]1 ZINC000678063605 488190103 /nfs/dbraw/zinc/19/01/03/488190103.db2.gz XAHHAWHYPTWIOX-UHFFFAOYSA-N 2 2 246.318 0.913 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](O)C[C@H]2C)n1C ZINC000668045636 488194042 /nfs/dbraw/zinc/19/40/42/488194042.db2.gz WOTKIMNKSSSAMT-KCJUWKMLSA-N 2 2 209.293 0.684 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](O)C[C@H]2C)n1C ZINC000668045636 488194046 /nfs/dbraw/zinc/19/40/46/488194046.db2.gz WOTKIMNKSSSAMT-KCJUWKMLSA-N 2 2 209.293 0.684 20 0 BCADLP CC(C)[C@@H](C)[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000043802269 488208444 /nfs/dbraw/zinc/20/84/44/488208444.db2.gz BJNOBEZSNBBHPC-MNOVXSKESA-N 2 2 200.326 0.951 20 0 BCADLP CC(C)[C@@H](C)[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000043802269 488208448 /nfs/dbraw/zinc/20/84/48/488208448.db2.gz BJNOBEZSNBBHPC-MNOVXSKESA-N 2 2 200.326 0.951 20 0 BCADLP [NH3+]C1(CC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000398165946 488213439 /nfs/dbraw/zinc/21/34/39/488213439.db2.gz MOGWHHGJUGRDNZ-UHFFFAOYSA-N 2 2 222.292 0.271 20 0 BCADLP COCCOCC[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000668176345 488215225 /nfs/dbraw/zinc/21/52/25/488215225.db2.gz RZYTWLHOHRRCJI-UHFFFAOYSA-N 2 2 241.335 0.823 20 0 BCADLP COCCOCC[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000668176345 488215226 /nfs/dbraw/zinc/21/52/26/488215226.db2.gz RZYTWLHOHRRCJI-UHFFFAOYSA-N 2 2 241.335 0.823 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672152259 488241493 /nfs/dbraw/zinc/24/14/93/488241493.db2.gz IMFIICNVVNMWCA-ZYHUDNBSSA-N 2 2 248.330 0.408 20 0 BCADLP 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/nfs/dbraw/zinc/58/50/46/535585046.db2.gz SZRLLLJMYYSRBF-JTQLQIEISA-N 2 2 213.325 0.135 20 0 BCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC000174224118 535585053 /nfs/dbraw/zinc/58/50/53/535585053.db2.gz SZRLLLJMYYSRBF-JTQLQIEISA-N 2 2 213.325 0.135 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261568678 535626860 /nfs/dbraw/zinc/62/68/60/535626860.db2.gz FTABUSITRWJQPB-AXFHLTTASA-N 2 2 226.320 0.479 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261568678 535626861 /nfs/dbraw/zinc/62/68/61/535626861.db2.gz FTABUSITRWJQPB-AXFHLTTASA-N 2 2 226.320 0.479 20 0 BCADLP CCS(=O)(=O)CC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000261558918 535633672 /nfs/dbraw/zinc/63/36/72/535633672.db2.gz YQHVBFYCZQVHNL-JTQLQIEISA-N 2 2 234.365 0.138 20 0 BCADLP CCN(C)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335700415 535721267 /nfs/dbraw/zinc/72/12/67/535721267.db2.gz VJCVQLRGMUNCDM-ZDUSSCGKSA-N 2 2 239.363 0.492 20 0 BCADLP CCN(C)C(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335700415 535721270 /nfs/dbraw/zinc/72/12/70/535721270.db2.gz VJCVQLRGMUNCDM-ZDUSSCGKSA-N 2 2 239.363 0.492 20 0 BCADLP CCN(C)C(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335700415 535721274 /nfs/dbraw/zinc/72/12/74/535721274.db2.gz VJCVQLRGMUNCDM-ZDUSSCGKSA-N 2 2 239.363 0.492 20 0 BCADLP CCN(C)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335700415 535721276 /nfs/dbraw/zinc/72/12/76/535721276.db2.gz VJCVQLRGMUNCDM-ZDUSSCGKSA-N 2 2 239.363 0.492 20 0 BCADLP CC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000253033495 535994327 /nfs/dbraw/zinc/99/43/27/535994327.db2.gz URKXJJFFWNAMCK-UMNHJUIQSA-N 2 2 212.337 0.972 20 0 BCADLP CC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000253033495 535994330 /nfs/dbraw/zinc/99/43/30/535994330.db2.gz URKXJJFFWNAMCK-UMNHJUIQSA-N 2 2 212.337 0.972 20 0 BCADLP CCn1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000261553266 536056287 /nfs/dbraw/zinc/05/62/87/536056287.db2.gz NRTQMTHZXWGVQC-OLZOCXBDSA-N 2 2 234.347 0.944 20 0 BCADLP CCn1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000261553266 536056289 /nfs/dbraw/zinc/05/62/89/536056289.db2.gz NRTQMTHZXWGVQC-OLZOCXBDSA-N 2 2 234.347 0.944 20 0 BCADLP CN(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177136253 536079601 /nfs/dbraw/zinc/07/96/01/536079601.db2.gz NHCIVRJVBSVCCX-UHFFFAOYSA-N 2 2 242.367 0.284 20 0 BCADLP C[N@@H+]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000336059597 536360382 /nfs/dbraw/zinc/36/03/82/536360382.db2.gz ONRDPNGQBSEWCN-VIFPVBQESA-N 2 2 247.289 0.148 20 0 BCADLP C[N@H+]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000336059597 536360384 /nfs/dbraw/zinc/36/03/84/536360384.db2.gz ONRDPNGQBSEWCN-VIFPVBQESA-N 2 2 247.289 0.148 20 0 BCADLP C[NH2+][C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000054936884 536415516 /nfs/dbraw/zinc/41/55/16/536415516.db2.gz CBWWRXRBZROUOV-JTQLQIEISA-N 2 2 206.293 0.973 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCn1cc(C)cn1 ZINC000261564463 536458917 /nfs/dbraw/zinc/45/89/17/536458917.db2.gz CPDBLLNPRKIDNW-LBPRGKRZSA-N 2 2 222.336 0.875 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCn1cc(C)cn1 ZINC000261564463 536458919 /nfs/dbraw/zinc/45/89/19/536458919.db2.gz CPDBLLNPRKIDNW-LBPRGKRZSA-N 2 2 222.336 0.875 20 0 BCADLP CO[C@@H]1CC[C@H]([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000261540310 536705962 /nfs/dbraw/zinc/70/59/62/536705962.db2.gz FWNKIELNTJIDNE-ZDEQEGDKSA-N 2 2 242.363 0.911 20 0 BCADLP C[C@@H]1C[C@@H]1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000166920548 566383693 /nfs/dbraw/zinc/38/36/93/566383693.db2.gz QRLVHHSFBGNOEO-GHMZBOCLSA-N 2 2 225.336 0.006 20 0 BCADLP C[C@H]1C[C@@H]1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000166920662 566384468 /nfs/dbraw/zinc/38/44/68/566384468.db2.gz QRLVHHSFBGNOEO-WDEREUQCSA-N 2 2 225.336 0.006 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H](CO)CC1CC1 ZINC000394416434 582969028 /nfs/dbraw/zinc/96/90/28/582969028.db2.gz JZGULYCOJWXZQV-YUSALJHKSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H](CO)CC1CC1 ZINC000394416434 582969031 /nfs/dbraw/zinc/96/90/31/582969031.db2.gz JZGULYCOJWXZQV-YUSALJHKSA-N 2 2 212.337 0.687 20 0 BCADLP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@H]2CNC(=O)C2)C1 ZINC000851841511 582971387 /nfs/dbraw/zinc/97/13/87/582971387.db2.gz UVWOHRCSAPXIRM-NEPJUHHUSA-N 2 2 239.363 0.585 20 0 BCADLP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@H]2CNC(=O)C2)C1 ZINC000851841511 582971390 /nfs/dbraw/zinc/97/13/90/582971390.db2.gz UVWOHRCSAPXIRM-NEPJUHHUSA-N 2 2 239.363 0.585 20 0 BCADLP CN(C)c1cc(N(C)CC[NH+](C)C)nc[nH+]1 ZINC000892778365 582981181 /nfs/dbraw/zinc/98/11/81/582981181.db2.gz UFLUZTMXGPITJC-UHFFFAOYSA-N 2 2 223.324 0.540 20 0 BCADLP Cc1nnc([C@H](C)[N@@H+]2CCC[C@@H](C[NH3+])C2)[nH]1 ZINC000852744227 583016402 /nfs/dbraw/zinc/01/64/02/583016402.db2.gz VUFHFFBYGYRHGA-WPRPVWTQSA-N 2 2 223.324 0.845 20 0 BCADLP Cc1nnc([C@H](C)[N@H+]2CCC[C@@H](C[NH3+])C2)[nH]1 ZINC000852744227 583016404 /nfs/dbraw/zinc/01/64/04/583016404.db2.gz VUFHFFBYGYRHGA-WPRPVWTQSA-N 2 2 223.324 0.845 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCn1cncn1 ZINC000390460765 583110022 /nfs/dbraw/zinc/11/00/22/583110022.db2.gz FRIYINBEKWEMSA-MNOVXSKESA-N 2 2 223.324 0.208 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCn1cncn1 ZINC000390460765 583110023 /nfs/dbraw/zinc/11/00/23/583110023.db2.gz FRIYINBEKWEMSA-MNOVXSKESA-N 2 2 223.324 0.208 20 0 BCADLP [NH3+]CC[N@H+](CCO)CCC1SCCS1 ZINC000853023382 588715259 /nfs/dbraw/zinc/71/52/59/588715259.db2.gz VOKZJTOJDLAODS-UHFFFAOYSA-N 2 2 236.406 0.436 20 0 BCADLP [NH3+]CC[N@@H+](CCO)CCC1SCCS1 ZINC000853023382 588715260 /nfs/dbraw/zinc/71/52/60/588715260.db2.gz VOKZJTOJDLAODS-UHFFFAOYSA-N 2 2 236.406 0.436 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+]CCC(=O)N(C)OC)C1 ZINC000853113814 588719475 /nfs/dbraw/zinc/71/94/75/588719475.db2.gz FJHHMMAXRKXVDS-NSHDSACASA-N 2 2 243.351 0.470 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+]CCC(=O)N(C)OC)C1 ZINC000853113814 588719476 /nfs/dbraw/zinc/71/94/76/588719476.db2.gz FJHHMMAXRKXVDS-NSHDSACASA-N 2 2 243.351 0.470 20 0 BCADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)c1ccccn1 ZINC000853099967 588719907 /nfs/dbraw/zinc/71/99/07/588719907.db2.gz WNLPASVCUQMCNZ-AAEUAGOBSA-N 2 2 235.331 0.799 20 0 BCADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)c1ccccn1 ZINC000853099967 588719908 /nfs/dbraw/zinc/71/99/08/588719908.db2.gz WNLPASVCUQMCNZ-AAEUAGOBSA-N 2 2 235.331 0.799 20 0 BCADLP COC(=O)N(C)CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000854227768 588780872 /nfs/dbraw/zinc/78/08/72/588780872.db2.gz PPCSNBZWSNKBNE-UWVGGRQHSA-N 2 2 229.324 0.272 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000854231147 588781368 /nfs/dbraw/zinc/78/13/68/588781368.db2.gz FHQPVMICXMHIJN-WCBMZHEXSA-N 2 2 208.309 0.985 20 0 BCADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854651290 588799463 /nfs/dbraw/zinc/79/94/63/588799463.db2.gz WGERQRNIYZABIT-NXEZZACHSA-N 2 2 236.319 0.503 20 0 BCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000854987105 588819897 /nfs/dbraw/zinc/81/98/97/588819897.db2.gz KJCBLIAGXJUEFH-WDEREUQCSA-N 2 2 248.330 0.505 20 0 BCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000854987105 588819898 /nfs/dbraw/zinc/81/98/98/588819898.db2.gz KJCBLIAGXJUEFH-WDEREUQCSA-N 2 2 248.330 0.505 20 0 BCADLP CCCCOC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000843348655 582542487 /nfs/dbraw/zinc/54/24/87/582542487.db2.gz WDVKMBXXUQDOLH-WDEREUQCSA-N 2 2 228.336 0.999 20 0 BCADLP CCCCOC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000843348655 582542488 /nfs/dbraw/zinc/54/24/88/582542488.db2.gz WDVKMBXXUQDOLH-WDEREUQCSA-N 2 2 228.336 0.999 20 0 BCADLP C[C@@H](C[NH3+])CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000892045665 582771644 /nfs/dbraw/zinc/77/16/44/582771644.db2.gz ULZNFECKPFXDPH-QMMMGPOBSA-N 2 2 225.296 0.146 20 0 BCADLP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000892140944 582799281 /nfs/dbraw/zinc/79/92/81/582799281.db2.gz FQSHSBCMYUGORU-YUMQZZPRSA-N 2 2 225.296 0.287 20 0 BCADLP COCCOC1CC[NH+](CC[NH3+])CC1 ZINC000115816776 582873585 /nfs/dbraw/zinc/87/35/85/582873585.db2.gz RFRRPYRVNMWZLM-UHFFFAOYSA-N 2 2 202.298 0.073 20 0 BCADLP CC[N@@H+]1CCN(c2nc(N)cc(C)[nH+]2)C[C@@H]1C ZINC000892972370 583023192 /nfs/dbraw/zinc/02/31/92/583023192.db2.gz XSQOJCAEPLVSAH-JTQLQIEISA-N 2 2 235.335 0.898 20 0 BCADLP CC[N@H+]1CCN(c2nc(N)cc(C)[nH+]2)C[C@@H]1C ZINC000892972370 583023193 /nfs/dbraw/zinc/02/31/93/583023193.db2.gz XSQOJCAEPLVSAH-JTQLQIEISA-N 2 2 235.335 0.898 20 0 BCADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1CCS(=O)CC1 ZINC000893356558 583121568 /nfs/dbraw/zinc/12/15/68/583121568.db2.gz MULYVFIJTGSFTK-FZWSLVFFSA-N 2 2 244.404 0.971 20 0 BCADLP C[C@H]1CCC[N@H+]1CC[NH2+]C1CCS(=O)CC1 ZINC000893356558 583121569 /nfs/dbraw/zinc/12/15/69/583121569.db2.gz MULYVFIJTGSFTK-FZWSLVFFSA-N 2 2 244.404 0.971 20 0 BCADLP CCn1cc(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cn1 ZINC000857086946 588887056 /nfs/dbraw/zinc/88/70/56/588887056.db2.gz NTMONFAHNXNSOK-OLZOCXBDSA-N 2 2 234.347 0.739 20 0 BCADLP CCn1cc(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cn1 ZINC000857086946 588887058 /nfs/dbraw/zinc/88/70/58/588887058.db2.gz NTMONFAHNXNSOK-OLZOCXBDSA-N 2 2 234.347 0.739 20 0 BCADLP Cc1nc(N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc[nH+]1 ZINC000893938441 583254171 /nfs/dbraw/zinc/25/41/71/583254171.db2.gz COTQOOAMZBNGSX-GHMZBOCLSA-N 2 2 218.304 0.925 20 0 BCADLP Cc1nc(N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc[nH+]1 ZINC000893938441 583254173 /nfs/dbraw/zinc/25/41/73/583254173.db2.gz COTQOOAMZBNGSX-GHMZBOCLSA-N 2 2 218.304 0.925 20 0 BCADLP Cc1n[nH]c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000894097524 583301560 /nfs/dbraw/zinc/30/15/60/583301560.db2.gz NIBNADKNYOUGLC-GHMZBOCLSA-N 2 2 220.320 0.678 20 0 BCADLP Cc1n[nH]c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000894097526 583301863 /nfs/dbraw/zinc/30/18/63/583301863.db2.gz NIBNADKNYOUGLC-PHIMTYICSA-N 2 2 220.320 0.678 20 0 BCADLP Cc1n[nH]c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000894097526 583301865 /nfs/dbraw/zinc/30/18/65/583301865.db2.gz NIBNADKNYOUGLC-PHIMTYICSA-N 2 2 220.320 0.678 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877183808 583302679 /nfs/dbraw/zinc/30/26/79/583302679.db2.gz DLIPFRHEPNDNHD-UHFFFAOYSA-N 2 2 248.330 0.743 20 0 BCADLP c1[nH]c(C[NH2+]CCCNc2ncccn2)c[nH+]1 ZINC000894138454 583315174 /nfs/dbraw/zinc/31/51/74/583315174.db2.gz KEWMZTULEWABNY-UHFFFAOYSA-N 2 2 232.291 0.792 20 0 BCADLP O=C(CC[NH2+]Cc1c[nH+]c[nH]1)Nc1ccccn1 ZINC000894207270 583351558 /nfs/dbraw/zinc/35/15/58/583351558.db2.gz PJCQRQWOQNZOMG-UHFFFAOYSA-N 2 2 245.286 0.923 20 0 BCADLP O=C1CCCCN1CCC[NH2+]Cc1c[nH+]c[nH]1 ZINC000894242754 583388193 /nfs/dbraw/zinc/38/81/93/583388193.db2.gz VVEHSMDSFINDNU-UHFFFAOYSA-N 2 2 236.319 0.902 20 0 BCADLP Cc1cc(N)nc(N(C)C[C@H]2CCC[N@@H+]2C)[nH+]1 ZINC000894248238 583390584 /nfs/dbraw/zinc/39/05/84/583390584.db2.gz JPFDABCUYQGBBP-SNVBAGLBSA-N 2 2 235.335 0.898 20 0 BCADLP Cc1cc(N)nc(N(C)C[C@H]2CCC[N@H+]2C)[nH+]1 ZINC000894248238 583390587 /nfs/dbraw/zinc/39/05/87/583390587.db2.gz JPFDABCUYQGBBP-SNVBAGLBSA-N 2 2 235.335 0.898 20 0 BCADLP Cc1cc(N)nc(N2CCC[C@H]3C[N@@H+](C)C[C@H]32)[nH+]1 ZINC000894276516 583405741 /nfs/dbraw/zinc/40/57/41/583405741.db2.gz UWESTCYNMZJQIF-WDEREUQCSA-N 2 2 247.346 0.898 20 0 BCADLP Cc1cc(N)nc(N2CCC[C@H]3C[N@H+](C)C[C@H]32)[nH+]1 ZINC000894276516 583405745 /nfs/dbraw/zinc/40/57/45/583405745.db2.gz UWESTCYNMZJQIF-WDEREUQCSA-N 2 2 247.346 0.898 20 0 BCADLP CON(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879582290 583440585 /nfs/dbraw/zinc/44/05/85/583440585.db2.gz RDOQOJGTRWWYGP-WDEREUQCSA-N 2 2 241.335 0.032 20 0 BCADLP CON(C)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879582290 583440581 /nfs/dbraw/zinc/44/05/81/583440581.db2.gz RDOQOJGTRWWYGP-WDEREUQCSA-N 2 2 241.335 0.032 20 0 BCADLP CON(C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879582290 583440589 /nfs/dbraw/zinc/44/05/89/583440589.db2.gz RDOQOJGTRWWYGP-WDEREUQCSA-N 2 2 241.335 0.032 20 0 BCADLP CON(C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879582290 583440591 /nfs/dbraw/zinc/44/05/91/583440591.db2.gz RDOQOJGTRWWYGP-WDEREUQCSA-N 2 2 241.335 0.032 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1CCC1=O ZINC000857235938 588899750 /nfs/dbraw/zinc/89/97/50/588899750.db2.gz VPOLBRLVHJFMGP-UHFFFAOYSA-N 2 2 236.319 0.703 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1CCC1=O ZINC000857235938 588899751 /nfs/dbraw/zinc/89/97/51/588899751.db2.gz VPOLBRLVHJFMGP-UHFFFAOYSA-N 2 2 236.319 0.703 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1COCC1(C)C ZINC000894477999 583469698 /nfs/dbraw/zinc/46/96/98/583469698.db2.gz QYSUTIHOXJBCOS-LLVKDONJSA-N 2 2 230.352 0.315 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1COCC1(C)C ZINC000894477999 583469699 /nfs/dbraw/zinc/46/96/99/583469699.db2.gz QYSUTIHOXJBCOS-LLVKDONJSA-N 2 2 230.352 0.315 20 0 BCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H]1CCC(=O)O1 ZINC000880140945 583473863 /nfs/dbraw/zinc/47/38/63/583473863.db2.gz FVDBMFSJSNRIKT-QJPTWQEYSA-N 2 2 238.331 0.861 20 0 BCADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H]1CCC(=O)O1 ZINC000880140945 583473866 /nfs/dbraw/zinc/47/38/66/583473866.db2.gz FVDBMFSJSNRIKT-QJPTWQEYSA-N 2 2 238.331 0.861 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H]1CCC(=O)O1 ZINC000880140945 583473867 /nfs/dbraw/zinc/47/38/67/583473867.db2.gz FVDBMFSJSNRIKT-QJPTWQEYSA-N 2 2 238.331 0.861 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H]1CCC(=O)O1 ZINC000880140945 583473871 /nfs/dbraw/zinc/47/38/71/583473871.db2.gz FVDBMFSJSNRIKT-QJPTWQEYSA-N 2 2 238.331 0.861 20 0 BCADLP COC[C@H](CO)[NH2+]Cc1c(C)cc[nH+]c1N ZINC000894620753 583493787 /nfs/dbraw/zinc/49/37/87/583493787.db2.gz VKMLQXKOSPYREL-VIFPVBQESA-N 2 2 225.292 0.069 20 0 BCADLP C[C@@H](CCO)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000894667718 583501902 /nfs/dbraw/zinc/50/19/02/583501902.db2.gz KJQGIZBTGDWDTM-RYUDHWBXSA-N 2 2 230.352 0.194 20 0 BCADLP C[C@@H](CCO)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000894667718 583501903 /nfs/dbraw/zinc/50/19/03/583501903.db2.gz KJQGIZBTGDWDTM-RYUDHWBXSA-N 2 2 230.352 0.194 20 0 BCADLP Cc1cc[nH+]c(N)c1CN(C)CC[NH+](C)C ZINC000894764047 583518063 /nfs/dbraw/zinc/51/80/63/583518063.db2.gz RGEAMCRMWGFVNA-UHFFFAOYSA-N 2 2 222.336 0.966 20 0 BCADLP COCC1(C[NH2+]Cc2c[nH+]c[nH]2)CCOCC1 ZINC000894830302 583527493 /nfs/dbraw/zinc/52/74/93/583527493.db2.gz IOILISNMADJZJO-UHFFFAOYSA-N 2 2 239.319 0.943 20 0 BCADLP CO[C@@H]1COCC[C@@H]1[N@H+](C)CCn1cc[nH+]c1 ZINC000880433798 583533233 /nfs/dbraw/zinc/53/32/33/583533233.db2.gz ZVNCSOBEXYAMLO-NWDGAFQWSA-N 2 2 239.319 0.619 20 0 BCADLP CO[C@@H]1COCC[C@@H]1[N@@H+](C)CCn1cc[nH+]c1 ZINC000880433798 583533234 /nfs/dbraw/zinc/53/32/34/583533234.db2.gz ZVNCSOBEXYAMLO-NWDGAFQWSA-N 2 2 239.319 0.619 20 0 BCADLP Cc1cc[nH+]c(N)c1C[NH2+][C@H]1CCCNC1=O ZINC000894883146 583545207 /nfs/dbraw/zinc/54/52/07/583545207.db2.gz RFBATHIAXAAXJH-JTQLQIEISA-N 2 2 234.303 0.340 20 0 BCADLP COC(=O)[C@H]1CC[C@H]([NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000894912073 583554829 /nfs/dbraw/zinc/55/48/29/583554829.db2.gz PZCAVWWFYDVWJE-DCAQKATOSA-N 2 2 228.336 0.868 20 0 BCADLP CC(C)(CC[NH2+]Cc1c[nH+]c[nH]1)S(C)(=O)=O ZINC000894991677 583563688 /nfs/dbraw/zinc/56/36/88/583563688.db2.gz JJLAWNFXNPEYAX-UHFFFAOYSA-N 2 2 245.348 0.713 20 0 BCADLP CCCN1C[C@H](C[NH2+]Cc2c[nH+]c[nH]2)CC1=O ZINC000895031224 583571120 /nfs/dbraw/zinc/57/11/20/583571120.db2.gz NHAJMPKZRGPGJI-JTQLQIEISA-N 2 2 236.319 0.758 20 0 BCADLP Cc1cc[nH+]c(N)c1C[NH+]1CC(C)(C(N)=O)C1 ZINC000895072685 583579793 /nfs/dbraw/zinc/57/97/93/583579793.db2.gz CDGCGLOIUDJOKG-UHFFFAOYSA-N 2 2 234.303 0.279 20 0 BCADLP OC[C@@H](C[NH2+]Cc1c[nH+]c[nH]1)CC1CC1 ZINC000895280000 583635772 /nfs/dbraw/zinc/63/57/72/583635772.db2.gz YVVUOIYBDAAWTK-SNVBAGLBSA-N 2 2 209.293 0.908 20 0 BCADLP CCn1nncc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000895293280 583639858 /nfs/dbraw/zinc/63/98/58/583639858.db2.gz XZMFZSBBLIWAHR-JTQLQIEISA-N 2 2 225.340 0.728 20 0 BCADLP Cn1c[nH+]cc1C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000895319419 583649268 /nfs/dbraw/zinc/64/92/68/583649268.db2.gz XQMNLMKBHLLAAL-SECBINFHSA-N 2 2 222.292 0.034 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)n1C ZINC000895654879 583701335 /nfs/dbraw/zinc/70/13/35/583701335.db2.gz UIQGEWTWULGEQP-ONGXEEELSA-N 2 2 207.277 0.295 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)n1C ZINC000895654879 583701336 /nfs/dbraw/zinc/70/13/36/583701336.db2.gz UIQGEWTWULGEQP-ONGXEEELSA-N 2 2 207.277 0.295 20 0 BCADLP O[C@@]12C[C@@H]1C[N@H+](Cc1cccc3[nH+]ccn31)C2 ZINC000895653539 583704246 /nfs/dbraw/zinc/70/42/46/583704246.db2.gz MWDPVPOJIHGMDR-ZWNOBZJWSA-N 2 2 229.283 0.901 20 0 BCADLP O[C@@]12C[C@@H]1C[N@@H+](Cc1cccc3[nH+]ccn31)C2 ZINC000895653539 583704247 /nfs/dbraw/zinc/70/42/47/583704247.db2.gz MWDPVPOJIHGMDR-ZWNOBZJWSA-N 2 2 229.283 0.901 20 0 BCADLP CN(C)c1cc(NC[C@@H]2CC[N@@H+]2C)nc[nH+]1 ZINC000895766118 583719609 /nfs/dbraw/zinc/71/96/09/583719609.db2.gz BHHFCILDTRWDOI-VIFPVBQESA-N 2 2 221.308 0.659 20 0 BCADLP CN(C)c1cc(NC[C@@H]2CC[N@H+]2C)nc[nH+]1 ZINC000895766118 583719612 /nfs/dbraw/zinc/71/96/12/583719612.db2.gz BHHFCILDTRWDOI-VIFPVBQESA-N 2 2 221.308 0.659 20 0 BCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000857978741 588925601 /nfs/dbraw/zinc/92/56/01/588925601.db2.gz JQLXKKHDRLSIGY-VHSXEESVSA-N 2 2 234.303 0.396 20 0 BCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000857978741 588925602 /nfs/dbraw/zinc/92/56/02/588925602.db2.gz JQLXKKHDRLSIGY-VHSXEESVSA-N 2 2 234.303 0.396 20 0 BCADLP C[NH+](C)C1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CCC1 ZINC000857982260 588927788 /nfs/dbraw/zinc/92/77/88/588927788.db2.gz OFHBGVSACKTJDO-SNVBAGLBSA-N 2 2 248.330 0.928 20 0 BCADLP COCCOC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000896553616 583811572 /nfs/dbraw/zinc/81/15/72/583811572.db2.gz RCDYNOOGBLTFMS-SDDRHHMPSA-N 2 2 230.352 0.720 20 0 BCADLP COCCOC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000896553616 583811573 /nfs/dbraw/zinc/81/15/73/583811573.db2.gz RCDYNOOGBLTFMS-SDDRHHMPSA-N 2 2 230.352 0.720 20 0 BCADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H]2C)[C@H]1OC ZINC000896555636 583812299 /nfs/dbraw/zinc/81/22/99/583812299.db2.gz QERNJNGMWKZSOL-KSSYENDESA-N 2 2 242.363 0.861 20 0 BCADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1OC ZINC000896555636 583812300 /nfs/dbraw/zinc/81/23/00/583812300.db2.gz QERNJNGMWKZSOL-KSSYENDESA-N 2 2 242.363 0.861 20 0 BCADLP Cn1c[nH+]c(CCNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000897952598 584063511 /nfs/dbraw/zinc/06/35/11/584063511.db2.gz KARJMULFUUBXMO-NSHDSACASA-N 2 2 236.319 0.173 20 0 BCADLP Cn1c[nH+]c(CCNC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC000897952598 584063513 /nfs/dbraw/zinc/06/35/13/584063513.db2.gz KARJMULFUUBXMO-NSHDSACASA-N 2 2 236.319 0.173 20 0 BCADLP COC(=O)C1=CC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000858474103 588958585 /nfs/dbraw/zinc/95/85/85/588958585.db2.gz VHEQMKVVJUCXRM-ADEWGFFLSA-N 2 2 238.331 0.788 20 0 BCADLP COC(=O)C1=CC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000858474103 588958586 /nfs/dbraw/zinc/95/85/86/588958586.db2.gz VHEQMKVVJUCXRM-ADEWGFFLSA-N 2 2 238.331 0.788 20 0 BCADLP Cn1c[nH+]cc1CNc1cc[nH+]c(CO)c1 ZINC000858549145 588964672 /nfs/dbraw/zinc/96/46/72/588964672.db2.gz SWXHAXDDNJXLTE-UHFFFAOYSA-N 2 2 218.260 0.920 20 0 BCADLP CON(C)C(=O)[C@@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000858587712 588969893 /nfs/dbraw/zinc/96/98/93/588969893.db2.gz VVVCLZBORGFMBM-MXWKQRLJSA-N 2 2 243.351 0.467 20 0 BCADLP CON(C)C(=O)[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000858587712 588969894 /nfs/dbraw/zinc/96/98/94/588969894.db2.gz VVVCLZBORGFMBM-MXWKQRLJSA-N 2 2 243.351 0.467 20 0 BCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900010367 584265702 /nfs/dbraw/zinc/26/57/02/584265702.db2.gz XXYMRDGNJBPWEY-LLVKDONJSA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900010367 584265704 /nfs/dbraw/zinc/26/57/04/584265704.db2.gz XXYMRDGNJBPWEY-LLVKDONJSA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900010367 584265706 /nfs/dbraw/zinc/26/57/06/584265706.db2.gz XXYMRDGNJBPWEY-LLVKDONJSA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900010367 584265708 /nfs/dbraw/zinc/26/57/08/584265708.db2.gz XXYMRDGNJBPWEY-LLVKDONJSA-N 2 2 236.319 0.553 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C12CC[NH+](CC1)C2 ZINC000900216892 584287357 /nfs/dbraw/zinc/28/73/57/584287357.db2.gz YROJDAIXGZDPNV-NSHDSACASA-N 2 2 248.330 0.484 20 0 BCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[NH+](CC2CC2)CC1 ZINC000900279624 584291024 /nfs/dbraw/zinc/29/10/24/584291024.db2.gz UPDXFIHCFXHCSG-UHFFFAOYSA-N 2 2 248.330 0.506 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]c[nH]1 ZINC000900695479 584339093 /nfs/dbraw/zinc/33/90/93/584339093.db2.gz OVYLQSKKHFPJBP-SNVBAGLBSA-N 2 2 222.292 0.163 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900695479 584339095 /nfs/dbraw/zinc/33/90/95/584339095.db2.gz OVYLQSKKHFPJBP-SNVBAGLBSA-N 2 2 222.292 0.163 20 0 BCADLP C[N@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900695479 584339096 /nfs/dbraw/zinc/33/90/96/584339096.db2.gz OVYLQSKKHFPJBP-SNVBAGLBSA-N 2 2 222.292 0.163 20 0 BCADLP CC[NH+](CC)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900694787 584339216 /nfs/dbraw/zinc/33/92/16/584339216.db2.gz JDTNQVVZJNESKO-JTQLQIEISA-N 2 2 238.335 0.799 20 0 BCADLP CC[NH+](CC)C[C@H](C)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900694787 584339219 /nfs/dbraw/zinc/33/92/19/584339219.db2.gz JDTNQVVZJNESKO-JTQLQIEISA-N 2 2 238.335 0.799 20 0 BCADLP CCCC[N@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900673904 584340431 /nfs/dbraw/zinc/34/04/31/584340431.db2.gz TVQRLMWKGXSPMX-UHFFFAOYSA-N 2 2 238.335 0.800 20 0 BCADLP CCCC[N@@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900673904 584340432 /nfs/dbraw/zinc/34/04/32/584340432.db2.gz TVQRLMWKGXSPMX-UHFFFAOYSA-N 2 2 238.335 0.800 20 0 BCADLP CCCC[N@H+](C)CCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900673904 584340433 /nfs/dbraw/zinc/34/04/33/584340433.db2.gz TVQRLMWKGXSPMX-UHFFFAOYSA-N 2 2 238.335 0.800 20 0 BCADLP CCCC[N@@H+](C)CCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900673904 584340434 /nfs/dbraw/zinc/34/04/34/584340434.db2.gz TVQRLMWKGXSPMX-UHFFFAOYSA-N 2 2 238.335 0.800 20 0 BCADLP C[C@H]1CN(C(=O)CNc2cccc[nH+]2)CC[N@@H+]1C ZINC000900849028 584357431 /nfs/dbraw/zinc/35/74/31/584357431.db2.gz WCSTWFZMCKOOTI-NSHDSACASA-N 2 2 248.330 0.656 20 0 BCADLP C[C@H]1CN(C(=O)CNc2cccc[nH+]2)CC[N@H+]1C ZINC000900849028 584357432 /nfs/dbraw/zinc/35/74/32/584357432.db2.gz WCSTWFZMCKOOTI-NSHDSACASA-N 2 2 248.330 0.656 20 0 BCADLP CCC[N@H+](CC)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900924489 584366298 /nfs/dbraw/zinc/36/62/98/584366298.db2.gz DOWLSZPEVVJSFE-UHFFFAOYSA-N 2 2 238.335 0.800 20 0 BCADLP CCC[N@@H+](CC)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900924489 584366300 /nfs/dbraw/zinc/36/63/00/584366300.db2.gz DOWLSZPEVVJSFE-UHFFFAOYSA-N 2 2 238.335 0.800 20 0 BCADLP CCC[N@H+](CC)CCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900924489 584366302 /nfs/dbraw/zinc/36/63/02/584366302.db2.gz DOWLSZPEVVJSFE-UHFFFAOYSA-N 2 2 238.335 0.800 20 0 BCADLP CCC[N@@H+](CC)CCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900924489 584366304 /nfs/dbraw/zinc/36/63/04/584366304.db2.gz DOWLSZPEVVJSFE-UHFFFAOYSA-N 2 2 238.335 0.800 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@H+](CN2C[C@@H]3C[C@@H]3C2=O)C1 ZINC000902146409 584530382 /nfs/dbraw/zinc/53/03/82/584530382.db2.gz LQZJKDNRDRDICA-WOPDTQHZSA-N 2 2 237.347 0.306 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@@H+](CN2C[C@@H]3C[C@@H]3C2=O)C1 ZINC000902146409 584530383 /nfs/dbraw/zinc/53/03/83/584530383.db2.gz LQZJKDNRDRDICA-WOPDTQHZSA-N 2 2 237.347 0.306 20 0 BCADLP Cc1nccnc1[C@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902408170 584574510 /nfs/dbraw/zinc/57/45/10/584574510.db2.gz XZQQKNCUQCBPRU-VIFPVBQESA-N 2 2 206.293 0.927 20 0 BCADLP Cc1cc([C@@H](C)[NH2+]CC2([NH3+])CC2)nn1C ZINC000902407607 584574744 /nfs/dbraw/zinc/57/47/44/584574744.db2.gz RRLYYYFSBYLPLD-SECBINFHSA-N 2 2 208.309 0.870 20 0 BCADLP Cc1cc([C@H](C)[NH2+]CC2([NH3+])CC2)nn1C ZINC000902407608 584574907 /nfs/dbraw/zinc/57/49/07/584574907.db2.gz RRLYYYFSBYLPLD-VIFPVBQESA-N 2 2 208.309 0.870 20 0 BCADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1c[nH+]ccc1N ZINC000902403745 584587918 /nfs/dbraw/zinc/58/79/18/584587918.db2.gz AWSCMAAPMUKLAQ-MRVPVSSYSA-N 3 2 206.293 0.636 20 0 BCADLP CCn1c[nH+]c(CNC[C@@](C)(O)C[NH+](C)C)c1 ZINC000902404673 584588759 /nfs/dbraw/zinc/58/87/59/584588759.db2.gz ASSWAHNUZVQZFB-GFCCVEGCSA-N 2 2 240.351 0.305 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CC2)CN1C1CC1 ZINC000902415580 584589831 /nfs/dbraw/zinc/58/98/31/584589831.db2.gz JILNTKMGHPVPGA-NXEZZACHSA-N 2 2 209.337 0.693 20 0 BCADLP Cc1nn(C)cc1[C@@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902416962 584591355 /nfs/dbraw/zinc/59/13/55/584591355.db2.gz QHKXDWLDPRNDIX-MRVPVSSYSA-N 2 2 208.309 0.870 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cnn(CCF)c1 ZINC000902445544 584598916 /nfs/dbraw/zinc/59/89/16/584598916.db2.gz MNKFTQUXFNKWRL-ZYHUDNBSSA-N 2 2 240.326 0.940 20 0 BCADLP Cn1ccnc1[C@H]([NH2+]CC1([NH3+])CC1)C1CC1 ZINC000902414584 584600125 /nfs/dbraw/zinc/60/01/25/584600125.db2.gz XVUFKPFYIMQIIK-SNVBAGLBSA-N 2 2 220.320 0.952 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902449927 584605939 /nfs/dbraw/zinc/60/59/39/584605939.db2.gz AKPKWGCCMCNRTL-ZKEKQEJZSA-N 2 2 222.332 0.750 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902449750 584606246 /nfs/dbraw/zinc/60/62/46/584606246.db2.gz PUWJFGFFRCAPRJ-AEJSXWLSSA-N 2 2 200.326 0.997 20 0 BCADLP CO[C@@H]1CCOC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000902453077 584608287 /nfs/dbraw/zinc/60/82/87/584608287.db2.gz CAZLBHRXKALDMT-UTUOFQBUSA-N 2 2 240.347 0.665 20 0 BCADLP C1[C@H]2CCC[C@H]2[C@H]1[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000902455335 584609271 /nfs/dbraw/zinc/60/92/71/584609271.db2.gz LCHQNAHYFMGKCD-KKOKHZNYSA-N 2 2 210.321 0.753 20 0 BCADLP C[C@@H](NCc1cn(C)c[nH+]1)[C@H]1CCC[NH2+]1 ZINC000902459597 584610837 /nfs/dbraw/zinc/61/08/37/584610837.db2.gz CVDTWMIPKLGADM-MWLCHTKSSA-N 2 2 208.309 0.650 20 0 BCADLP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1csc(N)n1 ZINC000902499231 584619920 /nfs/dbraw/zinc/61/99/20/584619920.db2.gz IMNHZIHLMKVNBQ-RQJHMYQMSA-N 2 2 214.338 0.941 20 0 BCADLP Cn1cnc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000902462981 584611983 /nfs/dbraw/zinc/61/19/83/584611983.db2.gz YLMPJBHIFKXFDR-QWRGUYRKSA-N 2 2 220.320 0.780 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cn(C)cn1 ZINC000902462970 584612034 /nfs/dbraw/zinc/61/20/34/584612034.db2.gz YGVFKBIAHPWDJW-MNOVXSKESA-N 2 2 238.335 0.277 20 0 BCADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902467648 584614575 /nfs/dbraw/zinc/61/45/75/584614575.db2.gz QJSIYTCAYOTOKK-NAWOPXAZSA-N 3 2 223.364 0.857 20 0 BCADLP C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1[nH]cc[nH+]1 ZINC000902469659 584615366 /nfs/dbraw/zinc/61/53/66/584615366.db2.gz ZTMZZJONQCLQGJ-QCLAVDOMSA-N 2 2 206.293 0.953 20 0 BCADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cn(C)nn1 ZINC000902993955 584711959 /nfs/dbraw/zinc/71/19/59/584711959.db2.gz ZIOHEUGMHWWCDC-IUCAKERBSA-N 2 2 246.318 0.746 20 0 BCADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cn(C)nn1 ZINC000902993955 584711961 /nfs/dbraw/zinc/71/19/61/584711961.db2.gz ZIOHEUGMHWWCDC-IUCAKERBSA-N 2 2 246.318 0.746 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903082060 584724833 /nfs/dbraw/zinc/72/48/33/584724833.db2.gz XLZGXVILDJAWRZ-JHJVBQTASA-N 2 2 240.347 0.618 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903082060 584724834 /nfs/dbraw/zinc/72/48/34/584724834.db2.gz XLZGXVILDJAWRZ-JHJVBQTASA-N 2 2 240.347 0.618 20 0 BCADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000903129354 584730172 /nfs/dbraw/zinc/73/01/72/584730172.db2.gz UFPRKXXNBBGGSG-USZNOCQGSA-N 2 2 240.347 0.868 20 0 BCADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000903129354 584730173 /nfs/dbraw/zinc/73/01/73/584730173.db2.gz UFPRKXXNBBGGSG-USZNOCQGSA-N 2 2 240.347 0.868 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000903300664 584743538 /nfs/dbraw/zinc/74/35/38/584743538.db2.gz KNLKLGBZOUAQPU-VWYCJHECSA-N 2 2 223.324 0.349 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000903300664 584743539 /nfs/dbraw/zinc/74/35/39/584743539.db2.gz KNLKLGBZOUAQPU-VWYCJHECSA-N 2 2 223.324 0.349 20 0 BCADLP CC(=O)N(C)C1CC[NH+](C[C@H]2CCC[NH2+]2)CC1 ZINC000903433295 584762186 /nfs/dbraw/zinc/76/21/86/584762186.db2.gz ZBIJCRMOGOZHSC-GFCCVEGCSA-N 2 2 239.363 0.681 20 0 BCADLP O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C[C@H]1CCC[NH2+]1 ZINC000903439948 584763361 /nfs/dbraw/zinc/76/33/61/584763361.db2.gz RBKQZZACZMDYTM-MXWKQRLJSA-N 2 2 223.320 0.091 20 0 BCADLP O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C[C@H]1CCC[NH2+]1 ZINC000903439948 584763362 /nfs/dbraw/zinc/76/33/62/584763362.db2.gz RBKQZZACZMDYTM-MXWKQRLJSA-N 2 2 223.320 0.091 20 0 BCADLP CC(C)(C)[C@H]([NH2+]C[C@H]1CCC[NH2+]1)C(N)=O ZINC000903441410 584763814 /nfs/dbraw/zinc/76/38/14/584763814.db2.gz QSLPOLICQGPPAN-RKDXNWHRSA-N 2 2 213.325 0.228 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CCO1 ZINC000903448482 584771138 /nfs/dbraw/zinc/77/11/38/584771138.db2.gz GNKFQAPLUBCRQW-MMWGEVLESA-N 2 2 246.301 0.937 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CCO1 ZINC000903448482 584771139 /nfs/dbraw/zinc/77/11/39/584771139.db2.gz GNKFQAPLUBCRQW-MMWGEVLESA-N 2 2 246.301 0.937 20 0 BCADLP CC(F)(F)CCC[N@H+](CC[NH3+])CCO ZINC000903448833 584771379 /nfs/dbraw/zinc/77/13/79/584771379.db2.gz LEDOWZGQWKMOAH-UHFFFAOYSA-N 2 2 210.268 0.675 20 0 BCADLP CC(F)(F)CCC[N@@H+](CC[NH3+])CCO ZINC000903448833 584771381 /nfs/dbraw/zinc/77/13/81/584771381.db2.gz LEDOWZGQWKMOAH-UHFFFAOYSA-N 2 2 210.268 0.675 20 0 BCADLP CCCNC(=O)[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903467882 584774587 /nfs/dbraw/zinc/77/45/87/584774587.db2.gz FKMIIHLDUKLNBR-MNOVXSKESA-N 2 2 239.363 0.775 20 0 BCADLP O=C(C[NH2+][C@H]1CC[NH2+]C12CCC2)NCC1CC1 ZINC000903468849 584774650 /nfs/dbraw/zinc/77/46/50/584774650.db2.gz OUKDAPSLLWQKMU-NSHDSACASA-N 2 2 237.347 0.387 20 0 BCADLP C(CN1CCOCC1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903470176 584774689 /nfs/dbraw/zinc/77/46/89/584774689.db2.gz HHSGSDCLNLJKFV-GFCCVEGCSA-N 2 2 239.363 0.193 20 0 BCADLP CCCNC(=O)[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903467883 584774693 /nfs/dbraw/zinc/77/46/93/584774693.db2.gz FKMIIHLDUKLNBR-QWRGUYRKSA-N 2 2 239.363 0.775 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903470315 584774858 /nfs/dbraw/zinc/77/48/58/584774858.db2.gz KRVZBVFIYNMLNJ-LLVKDONJSA-N 2 2 239.363 0.729 20 0 BCADLP CN1CC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1=O ZINC000903472896 584776213 /nfs/dbraw/zinc/77/62/13/584776213.db2.gz WPTWCIKLUHSVNL-VHSXEESVSA-N 2 2 223.320 0.091 20 0 BCADLP O=C1OCCN1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903472228 584776227 /nfs/dbraw/zinc/77/62/27/584776227.db2.gz YCKFWVIHEWUMPY-JTQLQIEISA-N 2 2 239.319 0.313 20 0 BCADLP CC(C)(C)NC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903466173 584779833 /nfs/dbraw/zinc/77/98/33/584779833.db2.gz QQBJFILJBBBBEC-SNVBAGLBSA-N 2 2 239.363 0.775 20 0 BCADLP CN1CCC[C@@H]([N@@H+]2C[C@H]([NH3+])C(C)(C)C2)C1=O ZINC000903557834 584782772 /nfs/dbraw/zinc/78/27/72/584782772.db2.gz RYNJQPIQIJIPBX-ZJUUUORDSA-N 2 2 225.336 0.276 20 0 BCADLP CN1CCC[C@@H]([N@H+]2C[C@H]([NH3+])C(C)(C)C2)C1=O ZINC000903557834 584782773 /nfs/dbraw/zinc/78/27/73/584782773.db2.gz RYNJQPIQIJIPBX-ZJUUUORDSA-N 2 2 225.336 0.276 20 0 BCADLP C[C@H](CN1CCOCC1)[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000903558122 584783110 /nfs/dbraw/zinc/78/31/10/584783110.db2.gz VPHJNJHPSBBCFX-NEPJUHHUSA-N 2 2 241.379 0.376 20 0 BCADLP C[C@H](CN1CCOCC1)[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000903558122 584783112 /nfs/dbraw/zinc/78/31/12/584783112.db2.gz VPHJNJHPSBBCFX-NEPJUHHUSA-N 2 2 241.379 0.376 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)NC(C)(C)C ZINC000903576015 584784101 /nfs/dbraw/zinc/78/41/01/584784101.db2.gz YTGMEHMRHOOVSS-LLVKDONJSA-N 2 2 241.379 0.975 20 0 BCADLP C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)NC(C)(C)C ZINC000903576015 584784102 /nfs/dbraw/zinc/78/41/02/584784102.db2.gz YTGMEHMRHOOVSS-LLVKDONJSA-N 2 2 241.379 0.975 20 0 BCADLP Cc1cn(C)nc1C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000903717540 584792484 /nfs/dbraw/zinc/79/24/84/584792484.db2.gz RIXMNJMVJGNEFH-LBPRGKRZSA-N 2 2 222.336 0.946 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000903713557 584793865 /nfs/dbraw/zinc/79/38/65/584793865.db2.gz VQTOPGZPUHHFIM-IVZWLZJFSA-N 2 2 212.293 0.219 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000903713557 584793866 /nfs/dbraw/zinc/79/38/66/584793866.db2.gz VQTOPGZPUHHFIM-IVZWLZJFSA-N 2 2 212.293 0.219 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000903713701 584793869 /nfs/dbraw/zinc/79/38/69/584793869.db2.gz ZTLIHTJSNXFMGZ-QJPTWQEYSA-N 2 2 240.347 0.999 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000903713701 584793870 /nfs/dbraw/zinc/79/38/70/584793870.db2.gz ZTLIHTJSNXFMGZ-QJPTWQEYSA-N 2 2 240.347 0.999 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903716218 584793982 /nfs/dbraw/zinc/79/39/82/584793982.db2.gz JRQSMPZFCKMACS-VXGBXAGGSA-N 3 2 241.379 0.424 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903716218 584793983 /nfs/dbraw/zinc/79/39/83/584793983.db2.gz JRQSMPZFCKMACS-VXGBXAGGSA-N 3 2 241.379 0.424 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000903716199 584794371 /nfs/dbraw/zinc/79/43/71/584794371.db2.gz JBZQFTMDLIXQOU-QJPTWQEYSA-N 2 2 240.347 0.869 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000903716199 584794373 /nfs/dbraw/zinc/79/43/73/584794373.db2.gz JBZQFTMDLIXQOU-QJPTWQEYSA-N 2 2 240.347 0.869 20 0 BCADLP C[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@@H]1CC[NH2+]C1 ZINC000903715889 584794465 /nfs/dbraw/zinc/79/44/65/584794465.db2.gz BFFZDPONFUJSGD-FRRDWIJNSA-N 3 2 239.363 0.049 20 0 BCADLP C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@@H]1CC[NH2+]C1 ZINC000903715889 584794467 /nfs/dbraw/zinc/79/44/67/584794467.db2.gz BFFZDPONFUJSGD-FRRDWIJNSA-N 3 2 239.363 0.049 20 0 BCADLP COCC(COC)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000903751308 584795425 /nfs/dbraw/zinc/79/54/25/584795425.db2.gz CRQAZGLFZPJEKM-CKYFFXLPSA-N 2 2 230.352 0.624 20 0 BCADLP [NH3+]C1(C[NH2+]Cc2cnn(CCF)c2)CCC1 ZINC000903742987 584796795 /nfs/dbraw/zinc/79/67/95/584796795.db2.gz FAWBTSPHPYUXJY-UHFFFAOYSA-N 2 2 226.299 0.824 20 0 BCADLP C[N@H+](CC[NH3+])C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903760024 584796848 /nfs/dbraw/zinc/79/68/48/584796848.db2.gz FETSMIVDCFFLHC-LLVKDONJSA-N 3 2 227.352 0.036 20 0 BCADLP C[N@@H+](CC[NH3+])C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903760024 584796849 /nfs/dbraw/zinc/79/68/49/584796849.db2.gz FETSMIVDCFFLHC-LLVKDONJSA-N 3 2 227.352 0.036 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)CCCO1 ZINC000903760995 584797665 /nfs/dbraw/zinc/79/76/65/584797665.db2.gz MLLOBPMXQFHPEZ-QWHCGFSZSA-N 3 2 241.379 0.426 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)CCCO1 ZINC000903760995 584797666 /nfs/dbraw/zinc/79/76/66/584797666.db2.gz MLLOBPMXQFHPEZ-QWHCGFSZSA-N 3 2 241.379 0.426 20 0 BCADLP CC[N@H+](CC[NH3+])C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903769368 584798349 /nfs/dbraw/zinc/79/83/49/584798349.db2.gz DWTMHHQVPLYVDS-VXGBXAGGSA-N 3 2 227.352 0.036 20 0 BCADLP CC[N@@H+](CC[NH3+])C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903769368 584798350 /nfs/dbraw/zinc/79/83/50/584798350.db2.gz DWTMHHQVPLYVDS-VXGBXAGGSA-N 3 2 227.352 0.036 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903778645 584799634 /nfs/dbraw/zinc/79/96/34/584799634.db2.gz QJQXIFQQOKQYIH-MROQNXINSA-N 3 2 239.363 0.177 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903778645 584799635 /nfs/dbraw/zinc/79/96/35/584799635.db2.gz QJQXIFQQOKQYIH-MROQNXINSA-N 3 2 239.363 0.177 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000903778231 584799834 /nfs/dbraw/zinc/79/98/34/584799834.db2.gz LGSVTUVLNWBPKL-VPOLOUISSA-N 2 2 226.320 0.607 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000903778231 584799836 /nfs/dbraw/zinc/79/98/36/584799836.db2.gz LGSVTUVLNWBPKL-VPOLOUISSA-N 2 2 226.320 0.607 20 0 BCADLP [NH3+][C@H]1CCC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903786460 584800033 /nfs/dbraw/zinc/80/00/33/584800033.db2.gz JDJRVSMBLBLIFC-YNEHKIRRSA-N 3 2 239.363 0.178 20 0 BCADLP [NH3+][C@H]1CCC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903786460 584800035 /nfs/dbraw/zinc/80/00/35/584800035.db2.gz JDJRVSMBLBLIFC-YNEHKIRRSA-N 3 2 239.363 0.178 20 0 BCADLP CN(C)C(=O)CC[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903800845 584801440 /nfs/dbraw/zinc/80/14/40/584801440.db2.gz JECDKZIMBOKBQZ-DGCLKSJQSA-N 2 2 239.363 0.668 20 0 BCADLP CN(C)C(=O)CC[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903800845 584801441 /nfs/dbraw/zinc/80/14/41/584801441.db2.gz JECDKZIMBOKBQZ-DGCLKSJQSA-N 2 2 239.363 0.668 20 0 BCADLP C(C[NH2+]C1CC1)C[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000903830132 584805586 /nfs/dbraw/zinc/80/55/86/584805586.db2.gz UFLTUIUBJOHOLQ-QWHCGFSZSA-N 2 2 240.347 0.618 20 0 BCADLP C(C[NH2+]C1CC1)C[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000903830132 584805588 /nfs/dbraw/zinc/80/55/88/584805588.db2.gz UFLTUIUBJOHOLQ-QWHCGFSZSA-N 2 2 240.347 0.618 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000903840974 584807334 /nfs/dbraw/zinc/80/73/34/584807334.db2.gz VMWBYSCCYAVUKF-RCWTZXSCSA-N 2 2 216.300 0.247 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000903840974 584807336 /nfs/dbraw/zinc/80/73/36/584807336.db2.gz VMWBYSCCYAVUKF-RCWTZXSCSA-N 2 2 216.300 0.247 20 0 BCADLP Cn1cc(CC[N@@H+]2CCC[C@@]23CC[NH2+]C3)cn1 ZINC000903868514 584807666 /nfs/dbraw/zinc/80/76/66/584807666.db2.gz ZKRPYCBNVDOLRG-ZDUSSCGKSA-N 2 2 234.347 0.791 20 0 BCADLP Cn1cc(CC[N@H+]2CCC[C@@]23CC[NH2+]C3)cn1 ZINC000903868514 584807667 /nfs/dbraw/zinc/80/76/67/584807667.db2.gz ZKRPYCBNVDOLRG-ZDUSSCGKSA-N 2 2 234.347 0.791 20 0 BCADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CC(=O)NC1CC1 ZINC000903850182 584807848 /nfs/dbraw/zinc/80/78/48/584807848.db2.gz LPECNRRWNSEVNM-SKDRFNHKSA-N 2 2 223.320 0.078 20 0 BCADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CC(=O)NC1CC1 ZINC000903850182 584807850 /nfs/dbraw/zinc/80/78/50/584807850.db2.gz LPECNRRWNSEVNM-SKDRFNHKSA-N 2 2 223.320 0.078 20 0 BCADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2Cc1ccno1 ZINC000903853206 584807949 /nfs/dbraw/zinc/80/79/49/584807949.db2.gz DFSPUKBAYCGMRS-GXSJLCMTSA-N 2 2 207.277 0.988 20 0 BCADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2Cc1ccno1 ZINC000903853206 584807951 /nfs/dbraw/zinc/80/79/51/584807951.db2.gz DFSPUKBAYCGMRS-GXSJLCMTSA-N 2 2 207.277 0.988 20 0 BCADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCN1CCOC1=O ZINC000903854807 584808790 /nfs/dbraw/zinc/80/87/90/584808790.db2.gz KPJSDVQDGXQWAF-PWSUYJOCSA-N 2 2 239.319 0.252 20 0 BCADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCN1CCOC1=O ZINC000903854807 584808791 /nfs/dbraw/zinc/80/87/91/584808791.db2.gz KPJSDVQDGXQWAF-PWSUYJOCSA-N 2 2 239.319 0.252 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903857010 584809812 /nfs/dbraw/zinc/80/98/12/584809812.db2.gz BTPALCMDNYTZPU-YPMHNXCESA-N 3 2 234.347 0.776 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903857010 584809813 /nfs/dbraw/zinc/80/98/13/584809813.db2.gz BTPALCMDNYTZPU-YPMHNXCESA-N 3 2 234.347 0.776 20 0 BCADLP Cn1c[nH+]cc1CCN1CC[C@H]2CC[C@]21C[NH3+] ZINC000903857010 584809814 /nfs/dbraw/zinc/80/98/14/584809814.db2.gz BTPALCMDNYTZPU-YPMHNXCESA-N 2 2 234.347 0.776 20 0 BCADLP COCCOCC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903858440 584810711 /nfs/dbraw/zinc/81/07/11/584810711.db2.gz YLVREWWHWZPYIT-NWDGAFQWSA-N 2 2 228.336 0.463 20 0 BCADLP COCCOCC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903858440 584810712 /nfs/dbraw/zinc/81/07/12/584810712.db2.gz YLVREWWHWZPYIT-NWDGAFQWSA-N 2 2 228.336 0.463 20 0 BCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCN1CCOCC1 ZINC000903858500 584810732 /nfs/dbraw/zinc/81/07/32/584810732.db2.gz YOUDWEQCBIAECV-CHWSQXEVSA-N 2 2 239.363 0.132 20 0 BCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCN1CCOCC1 ZINC000903858500 584810733 /nfs/dbraw/zinc/81/07/33/584810733.db2.gz YOUDWEQCBIAECV-CHWSQXEVSA-N 2 2 239.363 0.132 20 0 BCADLP [NH3+]C[C@]12CC[C@@H]1CCN2CC[NH+]1CCOCC1 ZINC000903858500 584810734 /nfs/dbraw/zinc/81/07/34/584810734.db2.gz YOUDWEQCBIAECV-CHWSQXEVSA-N 2 2 239.363 0.132 20 0 BCADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCO[C@H]1CCOC1 ZINC000903863167 584813362 /nfs/dbraw/zinc/81/33/62/584813362.db2.gz JQNVPCPSLAZROY-RWMBFGLXSA-N 2 2 240.347 0.605 20 0 BCADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCO[C@H]1CCOC1 ZINC000903863167 584813363 /nfs/dbraw/zinc/81/33/63/584813363.db2.gz JQNVPCPSLAZROY-RWMBFGLXSA-N 2 2 240.347 0.605 20 0 BCADLP C[N@H+](C[C@@H]([NH3+])CC(F)F)[C@@H]1CCCCNC1=O ZINC000903889415 584814043 /nfs/dbraw/zinc/81/40/43/584814043.db2.gz RTWFHPDSAQJPEO-DTWKUNHWSA-N 2 2 249.305 0.569 20 0 BCADLP C[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@@H]1CCCCNC1=O ZINC000903889415 584814044 /nfs/dbraw/zinc/81/40/44/584814044.db2.gz RTWFHPDSAQJPEO-DTWKUNHWSA-N 2 2 249.305 0.569 20 0 BCADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000903873085 584815227 /nfs/dbraw/zinc/81/52/27/584815227.db2.gz FLUQBSGRCSGPDV-RKDXNWHRSA-N 2 2 222.279 0.673 20 0 BCADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@@H](CO)C1 ZINC000903873085 584815228 /nfs/dbraw/zinc/81/52/28/584815228.db2.gz FLUQBSGRCSGPDV-RKDXNWHRSA-N 2 2 222.279 0.673 20 0 BCADLP c1n[nH]cc1CC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903872454 584815326 /nfs/dbraw/zinc/81/53/26/584815326.db2.gz ZYRAURUPRRUYRN-LBPRGKRZSA-N 2 2 220.320 0.780 20 0 BCADLP c1n[nH]cc1CC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903872454 584815328 /nfs/dbraw/zinc/81/53/28/584815328.db2.gz ZYRAURUPRRUYRN-LBPRGKRZSA-N 2 2 220.320 0.780 20 0 BCADLP C(C[N@@H+]1CCC[C@@]12CC[NH2+]C2)OC1CC1 ZINC000903872203 584815593 /nfs/dbraw/zinc/81/55/93/584815593.db2.gz WYSIHUKQBOCTOD-LBPRGKRZSA-N 2 2 210.321 0.993 20 0 BCADLP C(C[N@H+]1CCC[C@@]12CC[NH2+]C2)OC1CC1 ZINC000903872203 584815594 /nfs/dbraw/zinc/81/55/94/584815594.db2.gz WYSIHUKQBOCTOD-LBPRGKRZSA-N 2 2 210.321 0.993 20 0 BCADLP [NH3+]CC1CC[NH+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903873950 584815994 /nfs/dbraw/zinc/81/59/94/584815994.db2.gz OPNLZYYQWJLMRE-VIFPVBQESA-N 3 2 221.295 0.640 20 0 BCADLP C[C@H]1C(=O)NCCC[N@H+]1CCC[NH2+]C1CC1 ZINC000903874717 584816560 /nfs/dbraw/zinc/81/65/60/584816560.db2.gz HZZLJBNHIJIAAJ-JTQLQIEISA-N 2 2 225.336 0.339 20 0 BCADLP C[C@H]1C(=O)NCCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000903874717 584816562 /nfs/dbraw/zinc/81/65/62/584816562.db2.gz HZZLJBNHIJIAAJ-JTQLQIEISA-N 2 2 225.336 0.339 20 0 BCADLP C[C@]1(C2CC2)COCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000903881147 584817614 /nfs/dbraw/zinc/81/76/14/584817614.db2.gz FKSHSFIVBGZAKR-CHWSQXEVSA-N 2 2 240.347 0.476 20 0 BCADLP C[C@]1(C2CC2)COCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000903881147 584817615 /nfs/dbraw/zinc/81/76/15/584817615.db2.gz FKSHSFIVBGZAKR-CHWSQXEVSA-N 2 2 240.347 0.476 20 0 BCADLP COC(=O)[C@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903883853 584818458 /nfs/dbraw/zinc/81/84/58/584818458.db2.gz KQLVCGJFITXRAG-JGVFFNPUSA-N 2 2 236.262 0.464 20 0 BCADLP COC(=O)[C@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903883853 584818459 /nfs/dbraw/zinc/81/84/59/584818459.db2.gz KQLVCGJFITXRAG-JGVFFNPUSA-N 2 2 236.262 0.464 20 0 BCADLP COC(=O)[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903883854 584818468 /nfs/dbraw/zinc/81/84/68/584818468.db2.gz KQLVCGJFITXRAG-SFYZADRCSA-N 2 2 236.262 0.464 20 0 BCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903883854 584818469 /nfs/dbraw/zinc/81/84/69/584818469.db2.gz KQLVCGJFITXRAG-SFYZADRCSA-N 2 2 236.262 0.464 20 0 BCADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@@H]1CO ZINC000903885983 584819043 /nfs/dbraw/zinc/81/90/43/584819043.db2.gz NAYYNWJEQGQNOY-JGVFFNPUSA-N 2 2 208.252 0.426 20 0 BCADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@@H]1CO ZINC000903885983 584819044 /nfs/dbraw/zinc/81/90/44/584819044.db2.gz NAYYNWJEQGQNOY-JGVFFNPUSA-N 2 2 208.252 0.426 20 0 BCADLP C[C@H](O)[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903901982 584820321 /nfs/dbraw/zinc/82/03/21/584820321.db2.gz CHLSPNSNPKMUTG-YIZRAAEISA-N 2 2 222.279 0.672 20 0 BCADLP C[C@H](O)[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903901982 584820323 /nfs/dbraw/zinc/82/03/23/584820323.db2.gz CHLSPNSNPKMUTG-YIZRAAEISA-N 2 2 222.279 0.672 20 0 BCADLP C[N@H+](CCc1cnccn1)C[C@@H]([NH3+])CC(F)F ZINC000903910804 584821470 /nfs/dbraw/zinc/82/14/70/584821470.db2.gz REHUQEJSRQKOPW-VIFPVBQESA-N 2 2 244.289 0.933 20 0 BCADLP C[N@@H+](CCc1cnccn1)C[C@@H]([NH3+])CC(F)F ZINC000903910804 584821471 /nfs/dbraw/zinc/82/14/71/584821471.db2.gz REHUQEJSRQKOPW-VIFPVBQESA-N 2 2 244.289 0.933 20 0 BCADLP C[C@]1(CO)CCC[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903908755 584822040 /nfs/dbraw/zinc/82/20/40/584822040.db2.gz PEXUFJSHGNMEHK-WCBMZHEXSA-N 2 2 222.279 0.816 20 0 BCADLP C[C@]1(CO)CCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903908755 584822041 /nfs/dbraw/zinc/82/20/41/584822041.db2.gz PEXUFJSHGNMEHK-WCBMZHEXSA-N 2 2 222.279 0.816 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@H]([NH3+])CC(F)F)C[C@@H]1O ZINC000903913318 584822317 /nfs/dbraw/zinc/82/23/17/584822317.db2.gz OIEKLQZOZZKQRC-HLTSFMKQSA-N 2 2 222.279 0.672 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@H]([NH3+])CC(F)F)C[C@@H]1O ZINC000903913318 584822318 /nfs/dbraw/zinc/82/23/18/584822318.db2.gz OIEKLQZOZZKQRC-HLTSFMKQSA-N 2 2 222.279 0.672 20 0 BCADLP CC[N@H+](C[C@H]([NH3+])CC(F)F)[C@H]1CCNC1=O ZINC000903915313 584822343 /nfs/dbraw/zinc/82/23/43/584822343.db2.gz AMQMYFXMJQDOFX-SFYZADRCSA-N 2 2 235.278 0.179 20 0 BCADLP CC[N@@H+](C[C@H]([NH3+])CC(F)F)[C@H]1CCNC1=O ZINC000903915313 584822344 /nfs/dbraw/zinc/82/23/44/584822344.db2.gz AMQMYFXMJQDOFX-SFYZADRCSA-N 2 2 235.278 0.179 20 0 BCADLP O=C1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1C1CC1 ZINC000903913459 584822508 /nfs/dbraw/zinc/82/25/08/584822508.db2.gz CJHPRLCUIDCXIU-YOGCLGLASA-N 2 2 249.358 0.781 20 0 BCADLP O=C1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1C1CC1 ZINC000903913459 584822510 /nfs/dbraw/zinc/82/25/10/584822510.db2.gz CJHPRLCUIDCXIU-YOGCLGLASA-N 2 2 249.358 0.781 20 0 BCADLP [NH3+]CC(F)(F)CNCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918692 584822676 /nfs/dbraw/zinc/82/26/76/584822676.db2.gz FFPKTZLUHYYBCI-PBINXNQUSA-N 2 2 233.306 0.701 20 0 BCADLP C[C@@]1(C[NH2+]C[C@@H]([NH3+])CC(F)F)CCC[NH2+]C1 ZINC000903921004 584822919 /nfs/dbraw/zinc/82/29/19/584822919.db2.gz ZLKKEOHGCZSGBK-GXSJLCMTSA-N 3 2 235.322 0.948 20 0 BCADLP C([NH2+]C[C@H]1C[NH2+]CCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903929761 584824597 /nfs/dbraw/zinc/82/45/97/584824597.db2.gz KXYTZXGZYQYEBG-PSEXLTFBSA-N 3 2 239.363 0.095 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C[C@H]([NH3+])CC(F)F ZINC000903933129 584824837 /nfs/dbraw/zinc/82/48/37/584824837.db2.gz YREPWHVALZCQNH-SSDOTTSWSA-N 2 2 218.251 0.824 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C[C@H]([NH3+])CC(F)F ZINC000903933129 584824838 /nfs/dbraw/zinc/82/48/38/584824838.db2.gz YREPWHVALZCQNH-SSDOTTSWSA-N 2 2 218.251 0.824 20 0 BCADLP C[NH2+]CCOCC[N@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903935124 584825872 /nfs/dbraw/zinc/82/58/72/584825872.db2.gz NQLQDNFUQTZLPS-SECBINFHSA-N 3 2 239.310 0.137 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903935124 584825873 /nfs/dbraw/zinc/82/58/73/584825873.db2.gz NQLQDNFUQTZLPS-SECBINFHSA-N 3 2 239.310 0.137 20 0 BCADLP C[C@H]([NH2+]C[C@H]([NH3+])CC(F)F)[C@@H]1CCC[NH2+]C1 ZINC000903917768 584827088 /nfs/dbraw/zinc/82/70/88/584827088.db2.gz NHCZYZTZXZILJT-IVZWLZJFSA-N 3 2 235.322 0.947 20 0 BCADLP COC[C@H]([NH2+][C@H]1CC[NH2+]C1)[C@H]1CCCOC1 ZINC000903960161 584827884 /nfs/dbraw/zinc/82/78/84/584827884.db2.gz YCSQZSOBIWRRGP-SRVKXCTJSA-N 2 2 228.336 0.380 20 0 BCADLP C[C@]1(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)CC[NH2+]C1 ZINC000903956108 584832351 /nfs/dbraw/zinc/83/23/51/584832351.db2.gz GZSHFWDQWBBXHW-QWRGUYRKSA-N 3 2 247.333 0.820 20 0 BCADLP Cc1nc([C@H]2CC[N@H+](CC(C)(C)[NH3+])C2)no1 ZINC000903978946 584833000 /nfs/dbraw/zinc/83/30/00/584833000.db2.gz PEUKNQKUTYHAOV-VIFPVBQESA-N 2 2 224.308 0.905 20 0 BCADLP Cc1nc([C@H]2CC[N@@H+](CC(C)(C)[NH3+])C2)no1 ZINC000903978946 584833002 /nfs/dbraw/zinc/83/30/02/584833002.db2.gz PEUKNQKUTYHAOV-VIFPVBQESA-N 2 2 224.308 0.905 20 0 BCADLP COC(=O)c1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)[nH]1 ZINC000903963885 584833843 /nfs/dbraw/zinc/83/38/43/584833843.db2.gz IPOYTXGPMOZBGQ-LDYMZIIASA-N 2 2 237.303 0.499 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000903967684 584835039 /nfs/dbraw/zinc/83/50/39/584835039.db2.gz KQDDOERAGPWLRU-USZNOCQGSA-N 3 2 211.353 0.430 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903967074 584835236 /nfs/dbraw/zinc/83/52/36/584835236.db2.gz GMISSKRWMKWFSM-HRDYMLBCSA-N 3 2 221.295 0.414 20 0 BCADLP C[C@@]1(C[N@@H+]2CCC3(C2)OCCO3)CCC[NH2+]C1 ZINC000904316757 584863956 /nfs/dbraw/zinc/86/39/56/584863956.db2.gz RXQPHNSYXAJYGP-GFCCVEGCSA-N 2 2 240.347 0.825 20 0 BCADLP C[C@@]1(C[N@H+]2CCC3(C2)OCCO3)CCC[NH2+]C1 ZINC000904316757 584863957 /nfs/dbraw/zinc/86/39/57/584863957.db2.gz RXQPHNSYXAJYGP-GFCCVEGCSA-N 2 2 240.347 0.825 20 0 BCADLP CC[N@H+](CC(N)=O)C[C@@]1(C)CCC[NH2+]C1 ZINC000904339991 584866590 /nfs/dbraw/zinc/86/65/90/584866590.db2.gz CKAUWQUSXJCUMB-NSHDSACASA-N 2 2 213.325 0.183 20 0 BCADLP CC[N@@H+](CC(N)=O)C[C@@]1(C)CCC[NH2+]C1 ZINC000904339991 584866591 /nfs/dbraw/zinc/86/65/91/584866591.db2.gz CKAUWQUSXJCUMB-NSHDSACASA-N 2 2 213.325 0.183 20 0 BCADLP CC1([NH3+])CC[NH+](Cc2ccc(N)nn2)CC1 ZINC000904333693 584866769 /nfs/dbraw/zinc/86/67/69/584866769.db2.gz DRHYCHVCNFORJH-UHFFFAOYSA-N 2 2 221.308 0.372 20 0 BCADLP [NH3+]Cc1ccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000904354347 584870504 /nfs/dbraw/zinc/87/05/04/584870504.db2.gz GBPQTZDIVQXDJA-STQMWFEESA-N 3 2 237.322 0.935 20 0 BCADLP C[C@@]1(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CCC[NH2+]C1 ZINC000904355280 584870597 /nfs/dbraw/zinc/87/05/97/584870597.db2.gz PJYUIGZRUGDPHH-SDDRHHMPSA-N 3 2 229.343 0.666 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N)nn2)CC[NH2+]1 ZINC000904355393 584870770 /nfs/dbraw/zinc/87/07/70/584870770.db2.gz NANRGLZAJTXFOD-BDAKNGLRSA-N 2 2 221.308 0.289 20 0 BCADLP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(N)nn1 ZINC000904356278 584871140 /nfs/dbraw/zinc/87/11/40/584871140.db2.gz UZTGNIMOGOFCNQ-WCBMZHEXSA-N 2 2 221.308 0.146 20 0 BCADLP CC[NH2+][C@H](C)C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904356711 584871328 /nfs/dbraw/zinc/87/13/28/584871328.db2.gz YHYOJVJVTAZZJI-VXGBXAGGSA-N 3 2 213.369 0.964 20 0 BCADLP C[C@]1(C[NH2+]CC2([NH3+])CCC2)CCC[NH2+]C1 ZINC000904356095 584871427 /nfs/dbraw/zinc/87/14/27/584871427.db2.gz TZTBEPSPFGKCCN-NSHDSACASA-N 3 2 211.353 0.847 20 0 BCADLP c1cn(C2CC2)c(CNC[C@H]2C[NH2+]CCO2)[nH+]1 ZINC000904371139 584873355 /nfs/dbraw/zinc/87/33/55/584873355.db2.gz KFCKMUJUXMNWLN-LLVKDONJSA-N 2 2 236.319 0.296 20 0 BCADLP CCOC(=O)[C@@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000904389359 584875523 /nfs/dbraw/zinc/87/55/23/584875523.db2.gz KXNUEGPFWGLSGQ-QWKFWESOSA-N 2 2 238.331 0.623 20 0 BCADLP CCOC(=O)[C@@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000904389359 584875524 /nfs/dbraw/zinc/87/55/24/584875524.db2.gz KXNUEGPFWGLSGQ-QWKFWESOSA-N 2 2 238.331 0.623 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(N)nn1 ZINC000904376417 584876065 /nfs/dbraw/zinc/87/60/65/584876065.db2.gz RPNQNMDGABADMR-IUCAKERBSA-N 2 2 221.308 0.370 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(N)nn1 ZINC000904376417 584876066 /nfs/dbraw/zinc/87/60/66/584876066.db2.gz RPNQNMDGABADMR-IUCAKERBSA-N 2 2 221.308 0.370 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904378451 584876430 /nfs/dbraw/zinc/87/64/30/584876430.db2.gz CXYQROWXGVNSIN-SNVBAGLBSA-N 3 2 207.321 0.843 20 0 BCADLP C[NH2+]C[C@@H](C)NCc1[nH+]ccn1C1CC1 ZINC000904379771 584876808 /nfs/dbraw/zinc/87/68/08/584876808.db2.gz WKOQBGWFXWALDP-SECBINFHSA-N 2 2 208.309 0.916 20 0 BCADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(N)nn3)CC[C@@H]21 ZINC000904385208 584878131 /nfs/dbraw/zinc/87/81/31/584878131.db2.gz VFQFTPCXJLGGHF-JQWIXIFHSA-N 2 2 247.346 0.585 20 0 BCADLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(N)nn3)CC[C@@H]21 ZINC000904385208 584878134 /nfs/dbraw/zinc/87/81/34/584878134.db2.gz VFQFTPCXJLGGHF-JQWIXIFHSA-N 2 2 247.346 0.585 20 0 BCADLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(N)nn3)CC[C@@H]21 ZINC000904385208 584878135 /nfs/dbraw/zinc/87/81/35/584878135.db2.gz VFQFTPCXJLGGHF-JQWIXIFHSA-N 2 2 247.346 0.585 20 0 BCADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(N)nn3)CC[C@@H]21 ZINC000904385208 584878138 /nfs/dbraw/zinc/87/81/38/584878138.db2.gz VFQFTPCXJLGGHF-JQWIXIFHSA-N 2 2 247.346 0.585 20 0 BCADLP CC(C)(C)CC[C@@H]([NH3+])C[NH2+][C@@H]1CNOC1 ZINC000904424130 584880976 /nfs/dbraw/zinc/88/09/76/584880976.db2.gz NBQVJLGMUBQRAY-NXEZZACHSA-N 2 2 215.341 0.633 20 0 BCADLP C([N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000904420663 584882180 /nfs/dbraw/zinc/88/21/80/584882180.db2.gz SZFSSXMSOCLRLI-CMOBGSAGSA-N 3 2 221.348 0.280 20 0 BCADLP C([N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000904420663 584882181 /nfs/dbraw/zinc/88/21/81/584882181.db2.gz SZFSSXMSOCLRLI-CMOBGSAGSA-N 3 2 221.348 0.280 20 0 BCADLP CCn1ccnc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420854 584882347 /nfs/dbraw/zinc/88/23/47/584882347.db2.gz IOAXDJMSCKQBHK-NWDGAFQWSA-N 2 2 234.347 0.944 20 0 BCADLP CCn1ccnc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420854 584882349 /nfs/dbraw/zinc/88/23/49/584882349.db2.gz IOAXDJMSCKQBHK-NWDGAFQWSA-N 2 2 234.347 0.944 20 0 BCADLP Cc1cn2ccc(C(=O)N[C@@H](C)C[NH3+])cc2[nH+]1 ZINC000876830169 584887156 /nfs/dbraw/zinc/88/71/56/584887156.db2.gz CEUBWRQUCXTQNX-QMMMGPOBSA-N 2 2 232.287 0.720 20 0 BCADLP COC(=O)C[C@@H]([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000754516256 584920599 /nfs/dbraw/zinc/92/05/99/584920599.db2.gz LFSXDXSERCOMOR-LLVKDONJSA-N 2 2 237.303 0.814 20 0 BCADLP CC[NH+](CC)CCC[N@H+](C)[C@H](C)C(N)=O ZINC000731846173 584929405 /nfs/dbraw/zinc/92/94/05/584929405.db2.gz AFUCPDXGFMKZKK-SNVBAGLBSA-N 2 2 215.341 0.524 20 0 BCADLP CC[NH+](CC)CCC[N@@H+](C)[C@H](C)C(N)=O ZINC000731846173 584929406 /nfs/dbraw/zinc/92/94/06/584929406.db2.gz AFUCPDXGFMKZKK-SNVBAGLBSA-N 2 2 215.341 0.524 20 0 BCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C[NH3+])cn1 ZINC000746307134 585167461 /nfs/dbraw/zinc/16/74/61/585167461.db2.gz WWGJQOUAXFWHAK-UHFFFAOYSA-N 2 2 245.286 0.151 20 0 BCADLP COC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000748747801 585195130 /nfs/dbraw/zinc/19/51/30/585195130.db2.gz WFZSPZJSXPFYPV-UHFFFAOYSA-N 2 2 229.324 0.368 20 0 BCADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCF)CC2)C1 ZINC000759341718 585369049 /nfs/dbraw/zinc/36/90/49/585369049.db2.gz KTHQFWMCXRMOME-GFCCVEGCSA-N 2 2 229.343 0.668 20 0 BCADLP C[N@H+]1CCC[C@@H](N2CC[NH+](CCF)CC2)C1 ZINC000759341718 585369050 /nfs/dbraw/zinc/36/90/50/585369050.db2.gz KTHQFWMCXRMOME-GFCCVEGCSA-N 2 2 229.343 0.668 20 0 BCADLP CC[N@H+](CC(=O)N1CC[NH+](C)[C@H](C)C1)C1CC1 ZINC000764402408 585465036 /nfs/dbraw/zinc/46/50/36/585465036.db2.gz LZLXOIVFEYFAGW-LLVKDONJSA-N 2 2 239.363 0.633 20 0 BCADLP CC[N@@H+](CC(=O)N1CC[NH+](C)[C@H](C)C1)C1CC1 ZINC000764402408 585465037 /nfs/dbraw/zinc/46/50/37/585465037.db2.gz LZLXOIVFEYFAGW-LLVKDONJSA-N 2 2 239.363 0.633 20 0 BCADLP CC[NH+](CC(=O)N1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000764402408 585465038 /nfs/dbraw/zinc/46/50/38/585465038.db2.gz LZLXOIVFEYFAGW-LLVKDONJSA-N 2 2 239.363 0.633 20 0 BCADLP CC[NH+](CC(=O)N1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000764402408 585465039 /nfs/dbraw/zinc/46/50/39/585465039.db2.gz LZLXOIVFEYFAGW-LLVKDONJSA-N 2 2 239.363 0.633 20 0 BCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000765767783 585492274 /nfs/dbraw/zinc/49/22/74/585492274.db2.gz HMJLOIZEQRKMER-NEPJUHHUSA-N 2 2 241.379 0.927 20 0 BCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000765767783 585492275 /nfs/dbraw/zinc/49/22/75/585492275.db2.gz HMJLOIZEQRKMER-NEPJUHHUSA-N 2 2 241.379 0.927 20 0 BCADLP C[C@H]1CC[N@H+](CC[NH2+]C2CCN(C=O)CC2)C1 ZINC000774211128 585654118 /nfs/dbraw/zinc/65/41/18/585654118.db2.gz UMIYVRNDAOYZHV-LBPRGKRZSA-N 2 2 239.363 0.539 20 0 BCADLP C[C@H]1CC[N@@H+](CC[NH2+]C2CCN(C=O)CC2)C1 ZINC000774211128 585654119 /nfs/dbraw/zinc/65/41/19/585654119.db2.gz UMIYVRNDAOYZHV-LBPRGKRZSA-N 2 2 239.363 0.539 20 0 BCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCO ZINC000779338160 585751508 /nfs/dbraw/zinc/75/15/08/585751508.db2.gz NPNCIOGAISQVOP-WDEREUQCSA-N 2 2 200.326 0.831 20 0 BCADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCO ZINC000779338160 585751509 /nfs/dbraw/zinc/75/15/09/585751509.db2.gz NPNCIOGAISQVOP-WDEREUQCSA-N 2 2 200.326 0.831 20 0 BCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCO ZINC000779338151 585751538 /nfs/dbraw/zinc/75/15/38/585751538.db2.gz NPNCIOGAISQVOP-GHMZBOCLSA-N 2 2 200.326 0.831 20 0 BCADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCO ZINC000779338151 585751539 /nfs/dbraw/zinc/75/15/39/585751539.db2.gz NPNCIOGAISQVOP-GHMZBOCLSA-N 2 2 200.326 0.831 20 0 BCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779386586 585753190 /nfs/dbraw/zinc/75/31/90/585753190.db2.gz XPOSYJXAVFDXPJ-STQMWFEESA-N 2 2 244.379 0.704 20 0 BCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779386586 585753191 /nfs/dbraw/zinc/75/31/91/585753191.db2.gz XPOSYJXAVFDXPJ-STQMWFEESA-N 2 2 244.379 0.704 20 0 BCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCO ZINC000779401611 585753496 /nfs/dbraw/zinc/75/34/96/585753496.db2.gz WVULQQGFWHAVNK-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCO ZINC000779401611 585753497 /nfs/dbraw/zinc/75/34/97/585753497.db2.gz WVULQQGFWHAVNK-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP C[C@H](CCO)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000779406327 585753603 /nfs/dbraw/zinc/75/36/03/585753603.db2.gz WFHDRUBMVSCHOL-NXEZZACHSA-N 2 2 200.326 0.830 20 0 BCADLP C[C@H](CCO)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000779406327 585753604 /nfs/dbraw/zinc/75/36/04/585753604.db2.gz WFHDRUBMVSCHOL-NXEZZACHSA-N 2 2 200.326 0.830 20 0 BCADLP C[C@H](CCO)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000779406331 585753607 /nfs/dbraw/zinc/75/36/07/585753607.db2.gz WFHDRUBMVSCHOL-ZJUUUORDSA-N 2 2 200.326 0.830 20 0 BCADLP C[C@H](CCO)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000779406331 585753608 /nfs/dbraw/zinc/75/36/08/585753608.db2.gz WFHDRUBMVSCHOL-ZJUUUORDSA-N 2 2 200.326 0.830 20 0 BCADLP C[C@@H](CCO)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000779402464 585753613 /nfs/dbraw/zinc/75/36/13/585753613.db2.gz LFTFUQKIGTXONQ-QWRGUYRKSA-N 2 2 232.393 0.784 20 0 BCADLP COc1ccc(N[NH2+]C2=CC(=O)CN2)[nH+]c1 ZINC000780268087 585776113 /nfs/dbraw/zinc/77/61/13/585776113.db2.gz QVMVVWYNZFXPTQ-UHFFFAOYSA-N 2 2 220.232 0.861 20 0 BCADLP OC[C@H]([NH2+]CC[NH+]1CCCC1)C1CCOCC1 ZINC000782529830 585819761 /nfs/dbraw/zinc/81/97/61/585819761.db2.gz RYHYQJNNHLFUHI-ZDUSSCGKSA-N 2 2 242.363 0.459 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000782592922 585821513 /nfs/dbraw/zinc/82/15/13/585821513.db2.gz AXSVVZZGSQQPDB-SNVBAGLBSA-N 2 2 236.319 0.354 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000782592922 585821514 /nfs/dbraw/zinc/82/15/14/585821514.db2.gz AXSVVZZGSQQPDB-SNVBAGLBSA-N 2 2 236.319 0.354 20 0 BCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[NH+]2CCCC2)C1 ZINC000783971519 585846251 /nfs/dbraw/zinc/84/62/51/585846251.db2.gz GTHHVBAJUAHZSV-LLVKDONJSA-N 2 2 248.330 0.789 20 0 BCADLP Cc1cc([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)n(C)n1 ZINC000793526791 586021758 /nfs/dbraw/zinc/02/17/58/586021758.db2.gz OCTZXFBDCQHRMW-WDEREUQCSA-N 2 2 240.351 0.302 20 0 BCADLP Cc1nc2n(n1)C[C@H]([NH2+]Cc1c[nH+]c[nH]1)CC2 ZINC000796448956 586103162 /nfs/dbraw/zinc/10/31/62/586103162.db2.gz JIBAAQVMXNSSHM-SECBINFHSA-N 2 2 232.291 0.414 20 0 BCADLP C[S@@](=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000798197462 586140173 /nfs/dbraw/zinc/14/01/73/586140173.db2.gz SYWBLAYVXZMAIK-MLGOLLRUSA-N 2 2 244.404 0.783 20 0 BCADLP C[S@@](=O)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000798197462 586140174 /nfs/dbraw/zinc/14/01/74/586140174.db2.gz SYWBLAYVXZMAIK-MLGOLLRUSA-N 2 2 244.404 0.783 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC[S@@](C)=O)C1 ZINC000798198061 586140184 /nfs/dbraw/zinc/14/01/84/586140184.db2.gz VSSPWZUKURQAEH-XHDPSFHLSA-N 2 2 232.393 0.639 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[S@@](C)=O)C1 ZINC000798198061 586140185 /nfs/dbraw/zinc/14/01/85/586140185.db2.gz VSSPWZUKURQAEH-XHDPSFHLSA-N 2 2 232.393 0.639 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC[S@@](C)=O)C1 ZINC000798198061 586140186 /nfs/dbraw/zinc/14/01/86/586140186.db2.gz VSSPWZUKURQAEH-XHDPSFHLSA-N 2 2 232.393 0.639 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[S@@](C)=O)C1 ZINC000798198061 586140187 /nfs/dbraw/zinc/14/01/87/586140187.db2.gz VSSPWZUKURQAEH-XHDPSFHLSA-N 2 2 232.393 0.639 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+](CC[S@](C)=O)C1 ZINC000798198058 586140496 /nfs/dbraw/zinc/14/04/96/586140496.db2.gz VSSPWZUKURQAEH-ABAIWWIYSA-N 2 2 232.393 0.639 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC[S@](C)=O)C1 ZINC000798198058 586140497 /nfs/dbraw/zinc/14/04/97/586140497.db2.gz VSSPWZUKURQAEH-ABAIWWIYSA-N 2 2 232.393 0.639 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+](CC[S@](C)=O)C1 ZINC000798198058 586140498 /nfs/dbraw/zinc/14/04/98/586140498.db2.gz VSSPWZUKURQAEH-ABAIWWIYSA-N 2 2 232.393 0.639 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC[S@](C)=O)C1 ZINC000798198058 586140499 /nfs/dbraw/zinc/14/04/99/586140499.db2.gz VSSPWZUKURQAEH-ABAIWWIYSA-N 2 2 232.393 0.639 20 0 BCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](C)[C@H](C)C2)CCO1 ZINC000800367011 586214604 /nfs/dbraw/zinc/21/46/04/586214604.db2.gz QVEMJHMTMUCFIQ-CHWSQXEVSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](C)[C@H](C)C2)CCO1 ZINC000800367011 586214607 /nfs/dbraw/zinc/21/46/07/586214607.db2.gz QVEMJHMTMUCFIQ-CHWSQXEVSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1C[NH+](CCN2CC[N@H+](C)[C@H](C)C2)CCO1 ZINC000800367011 586214610 /nfs/dbraw/zinc/21/46/10/586214610.db2.gz QVEMJHMTMUCFIQ-CHWSQXEVSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](C)[C@H](C)C2)CCO1 ZINC000800367011 586214612 /nfs/dbraw/zinc/21/46/12/586214612.db2.gz QVEMJHMTMUCFIQ-CHWSQXEVSA-N 2 2 241.379 0.343 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N(C)C[C@H](C)[NH3+] ZINC000859668777 589053545 /nfs/dbraw/zinc/05/35/45/589053545.db2.gz IEDVANGTNFAKFT-VIFPVBQESA-N 2 2 222.292 0.623 20 0 BCADLP C[C@H]1CCOCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000809972485 586527664 /nfs/dbraw/zinc/52/76/64/586527664.db2.gz JFILBDHRQHQDOF-WCQYABFASA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H]1CCOCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000809972485 586527665 /nfs/dbraw/zinc/52/76/65/586527665.db2.gz JFILBDHRQHQDOF-WCQYABFASA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H]1CCOCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000809972485 586527667 /nfs/dbraw/zinc/52/76/67/586527667.db2.gz JFILBDHRQHQDOF-WCQYABFASA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H]1CCOCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000809972485 586527668 /nfs/dbraw/zinc/52/76/68/586527668.db2.gz JFILBDHRQHQDOF-WCQYABFASA-N 2 2 242.363 0.552 20 0 BCADLP CC[C@H]([NH2+]CC(=O)N(CC)CC)[C@@H]1CCC[NH2+]1 ZINC000817892886 586833097 /nfs/dbraw/zinc/83/30/97/586833097.db2.gz WKTWXYJJOZHZSG-RYUDHWBXSA-N 2 2 241.379 0.975 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H](O)c1ccco1 ZINC000817913601 586839545 /nfs/dbraw/zinc/83/95/45/586839545.db2.gz LCTTYOPNNCWUOQ-MXWKQRLJSA-N 2 2 224.304 0.901 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(C)OCCCO1 ZINC000817926210 586841183 /nfs/dbraw/zinc/84/11/83/586841183.db2.gz AFQBWUURHFRWND-WDEREUQCSA-N 2 2 228.336 0.727 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(C)OCCCO1 ZINC000817926209 586841421 /nfs/dbraw/zinc/84/14/21/586841421.db2.gz AFQBWUURHFRWND-QWRGUYRKSA-N 2 2 228.336 0.727 20 0 BCADLP O[C@@H](C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000819039943 586927118 /nfs/dbraw/zinc/92/71/18/586927118.db2.gz VJZGYFFUIPACCU-OLZOCXBDSA-N 2 2 224.348 0.831 20 0 BCADLP O[C@@H](C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000819039943 586927119 /nfs/dbraw/zinc/92/71/19/586927119.db2.gz VJZGYFFUIPACCU-OLZOCXBDSA-N 2 2 224.348 0.831 20 0 BCADLP C[NH+](C)[C@]1(C[NH2+]C[C@H](O)C2CC2)CCSC1 ZINC000819131262 586932358 /nfs/dbraw/zinc/93/23/58/586932358.db2.gz NBSQMDIITZHTAE-RYUDHWBXSA-N 2 2 244.404 0.784 20 0 BCADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cnnn1C ZINC000820806031 587073160 /nfs/dbraw/zinc/07/31/60/587073160.db2.gz YIJDWEHOEWXGED-SNVBAGLBSA-N 2 2 234.307 0.753 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cnnn1C ZINC000820807176 587073558 /nfs/dbraw/zinc/07/35/58/587073558.db2.gz BOHGFTOGYXTISG-QWRGUYRKSA-N 2 2 249.362 0.950 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cnnn1C ZINC000820807176 587073559 /nfs/dbraw/zinc/07/35/59/587073559.db2.gz BOHGFTOGYXTISG-QWRGUYRKSA-N 2 2 249.362 0.950 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cnnn1C ZINC000820807174 587073679 /nfs/dbraw/zinc/07/36/79/587073679.db2.gz BOHGFTOGYXTISG-GHMZBOCLSA-N 2 2 249.362 0.950 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cnnn1C ZINC000820807174 587073682 /nfs/dbraw/zinc/07/36/82/587073682.db2.gz BOHGFTOGYXTISG-GHMZBOCLSA-N 2 2 249.362 0.950 20 0 BCADLP O=C(C[NH+]1CCCC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000821106831 587096331 /nfs/dbraw/zinc/09/63/31/587096331.db2.gz WVUJDNJTBLSFPZ-JTQLQIEISA-N 2 2 248.330 0.479 20 0 BCADLP O=C(C[NH+]1CCCC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000821106831 587096334 /nfs/dbraw/zinc/09/63/34/587096334.db2.gz WVUJDNJTBLSFPZ-JTQLQIEISA-N 2 2 248.330 0.479 20 0 BCADLP c1[nH]c2c([nH+]1)CC[N@H+](CCC1OCCO1)C2 ZINC000821270153 587104458 /nfs/dbraw/zinc/10/44/58/587104458.db2.gz KDNOKECPQQIVGQ-UHFFFAOYSA-N 2 2 223.276 0.531 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860166869 589085799 /nfs/dbraw/zinc/08/57/99/589085799.db2.gz XJFKUPBCDVIZKY-MWLCHTKSSA-N 2 2 235.287 0.067 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860166869 589085800 /nfs/dbraw/zinc/08/58/00/589085800.db2.gz XJFKUPBCDVIZKY-MWLCHTKSSA-N 2 2 235.287 0.067 20 0 BCADLP CC(C)[N@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000821826225 587140678 /nfs/dbraw/zinc/14/06/78/587140678.db2.gz HADFOEDIFALWJU-UHFFFAOYSA-N 2 2 238.335 0.799 20 0 BCADLP CC(C)[N@@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000821826225 587140679 /nfs/dbraw/zinc/14/06/79/587140679.db2.gz HADFOEDIFALWJU-UHFFFAOYSA-N 2 2 238.335 0.799 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+][C@H](CO)C2CC2)n1C ZINC000822456856 587169233 /nfs/dbraw/zinc/16/92/33/587169233.db2.gz WGLXRGIYSCKAPF-LLVKDONJSA-N 2 2 238.335 0.347 20 0 BCADLP C[C@H](C(=O)N[C@H]1CCn2cc[nH+]c21)[NH+](C)C ZINC000823237212 587210365 /nfs/dbraw/zinc/21/03/65/587210365.db2.gz PJJNUHNRZKDRNK-BDAKNGLRSA-N 2 2 222.292 0.394 20 0 BCADLP O=C(C[NH+]1CCCC1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000824047214 587251484 /nfs/dbraw/zinc/25/14/84/587251484.db2.gz WTSGACFKOHJNGV-NSHDSACASA-N 2 2 248.330 0.410 20 0 BCADLP CC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000826599396 587356092 /nfs/dbraw/zinc/35/60/92/587356092.db2.gz KYNOFQCJIZQFGW-JTQLQIEISA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000826599396 587356093 /nfs/dbraw/zinc/35/60/93/587356093.db2.gz KYNOFQCJIZQFGW-JTQLQIEISA-N 2 2 236.319 0.553 20 0 BCADLP C[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000826600010 587356329 /nfs/dbraw/zinc/35/63/29/587356329.db2.gz OFTUOYBTRBCYSF-SECBINFHSA-N 2 2 222.292 0.163 20 0 BCADLP C[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000826600010 587356330 /nfs/dbraw/zinc/35/63/30/587356330.db2.gz OFTUOYBTRBCYSF-SECBINFHSA-N 2 2 222.292 0.163 20 0 BCADLP Cn1c[nH+]c(/C=C/C(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000827136918 587370806 /nfs/dbraw/zinc/37/08/06/587370806.db2.gz UKPYHIVNHDGFRG-BTDICHCPSA-N 2 2 248.330 0.644 20 0 BCADLP Cn1c[nH+]c(/C=C/C(=O)NC[C@H]2CCC[N@H+]2C)c1 ZINC000827136918 587370807 /nfs/dbraw/zinc/37/08/07/587370807.db2.gz UKPYHIVNHDGFRG-BTDICHCPSA-N 2 2 248.330 0.644 20 0 BCADLP CCCC[N@@H+](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000827408339 587380335 /nfs/dbraw/zinc/38/03/35/587380335.db2.gz VIUCYJBRNYBIDD-UHFFFAOYSA-N 2 2 238.335 0.800 20 0 BCADLP COc1c(C)c[nH+]c(CNC(=O)CC[NH3+])c1C ZINC000827975372 587413930 /nfs/dbraw/zinc/41/39/30/587413930.db2.gz HLHPFZXULYPCFH-UHFFFAOYSA-N 2 2 237.303 0.672 20 0 BCADLP C[N@H+](CC[S@](C)=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000828525320 587447611 /nfs/dbraw/zinc/44/76/11/587447611.db2.gz NWWKLUKXWBKDAH-AVJHPGPQSA-N 2 2 244.404 0.922 20 0 BCADLP C[N@@H+](CC[S@](C)=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000828525320 587447613 /nfs/dbraw/zinc/44/76/13/587447613.db2.gz NWWKLUKXWBKDAH-AVJHPGPQSA-N 2 2 244.404 0.922 20 0 BCADLP C[NH+](CC[S@](C)=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000828525320 587447614 /nfs/dbraw/zinc/44/76/14/587447614.db2.gz NWWKLUKXWBKDAH-AVJHPGPQSA-N 2 2 244.404 0.922 20 0 BCADLP C[NH+](CC[S@](C)=O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000828525320 587447616 /nfs/dbraw/zinc/44/76/16/587447616.db2.gz NWWKLUKXWBKDAH-AVJHPGPQSA-N 2 2 244.404 0.922 20 0 BCADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC[S@](C)=O)C2)C1 ZINC000828575724 587451222 /nfs/dbraw/zinc/45/12/22/587451222.db2.gz OTXLZRUMFBUCNQ-LRDDRELGSA-N 2 2 244.404 0.783 20 0 BCADLP C[N@H+]1CCC[C@]2(CC[NH+](CC[S@](C)=O)C2)C1 ZINC000828575724 587451224 /nfs/dbraw/zinc/45/12/24/587451224.db2.gz OTXLZRUMFBUCNQ-LRDDRELGSA-N 2 2 244.404 0.783 20 0 BCADLP C[NH+]1CCC[C@]2(CC[N@H+](CC[S@](C)=O)C2)C1 ZINC000828575724 587451225 /nfs/dbraw/zinc/45/12/25/587451225.db2.gz OTXLZRUMFBUCNQ-LRDDRELGSA-N 2 2 244.404 0.783 20 0 BCADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC[S@](C)=O)C2)C1 ZINC000828575724 587451227 /nfs/dbraw/zinc/45/12/27/587451227.db2.gz OTXLZRUMFBUCNQ-LRDDRELGSA-N 2 2 244.404 0.783 20 0 BCADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCC[N@H+](C)C1 ZINC000828681181 587456993 /nfs/dbraw/zinc/45/69/93/587456993.db2.gz WRVIYVCDIPAZHE-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCC[N@@H+](C)C1 ZINC000828681181 587456994 /nfs/dbraw/zinc/45/69/94/587456994.db2.gz WRVIYVCDIPAZHE-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP O=C(Nc1ccc2[nH+]ccn2c1)[C@]1(F)CC[NH2+]C1 ZINC000829463868 587498653 /nfs/dbraw/zinc/49/86/53/587498653.db2.gz SAHLBPHSZMBGOH-LBPRGKRZSA-N 2 2 248.261 0.974 20 0 BCADLP C[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000830136287 587537877 /nfs/dbraw/zinc/53/78/77/587537877.db2.gz WDKPNRSMWNOZJH-SNVBAGLBSA-N 2 2 244.298 0.997 20 0 BCADLP C[N@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000830136287 587537879 /nfs/dbraw/zinc/53/78/79/587537879.db2.gz WDKPNRSMWNOZJH-SNVBAGLBSA-N 2 2 244.298 0.997 20 0 BCADLP C[C@@H]1[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000831617807 587624224 /nfs/dbraw/zinc/62/42/24/587624224.db2.gz JYHAMFYGZRCYQO-ZJUUUORDSA-N 2 2 236.319 0.503 20 0 BCADLP C[C@@H]1[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000831617807 587624226 /nfs/dbraw/zinc/62/42/26/587624226.db2.gz JYHAMFYGZRCYQO-ZJUUUORDSA-N 2 2 236.319 0.503 20 0 BCADLP C[NH2+]CCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000832139572 587646077 /nfs/dbraw/zinc/64/60/77/587646077.db2.gz AWEHGXTYTVHBRE-VIFPVBQESA-N 2 2 222.292 0.683 20 0 BCADLP CC[NH+](CC)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000834777190 587766651 /nfs/dbraw/zinc/76/66/51/587766651.db2.gz GJYZYZKQRPCSOD-SNVBAGLBSA-N 2 2 238.335 0.799 20 0 BCADLP C[C@H](C[NH3+])C[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000841048822 587939842 /nfs/dbraw/zinc/93/98/42/587939842.db2.gz LZQFKAIBENNZKE-LLVKDONJSA-N 2 2 245.330 0.952 20 0 BCADLP Cc1cc(NC(=O)N[C@@H](C)C[NH3+])c(C)c[nH+]1 ZINC000841169004 587948429 /nfs/dbraw/zinc/94/84/29/587948429.db2.gz QDOXOXTZAAMERT-VIFPVBQESA-N 2 2 222.292 0.589 20 0 BCADLP CN(CC[NH3+])C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000842510367 588031949 /nfs/dbraw/zinc/03/19/49/588031949.db2.gz QQGFIGIKZWVRAR-UHFFFAOYSA-N 2 2 245.286 0.298 20 0 BCADLP CC[NH2+]Cc1noc([C@@H]2C[N@H+](CC)CCO2)n1 ZINC000843142721 588086236 /nfs/dbraw/zinc/08/62/36/588086236.db2.gz HHBAMFAVNIWOEF-VIFPVBQESA-N 2 2 240.307 0.572 20 0 BCADLP CC[NH2+]Cc1noc([C@@H]2C[N@@H+](CC)CCO2)n1 ZINC000843142721 588086237 /nfs/dbraw/zinc/08/62/37/588086237.db2.gz HHBAMFAVNIWOEF-VIFPVBQESA-N 2 2 240.307 0.572 20 0 BCADLP Cn1c[nH+]cc1Cc1noc(C2CC[NH2+]CC2)n1 ZINC000843201225 588092940 /nfs/dbraw/zinc/09/29/40/588092940.db2.gz YHSHAIJHOHJGJW-UHFFFAOYSA-N 2 2 247.302 0.861 20 0 BCADLP CCCOC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000843353738 588103357 /nfs/dbraw/zinc/10/33/57/588103357.db2.gz OHIBCOWVCAHFKX-GARJFASQSA-N 2 2 228.336 0.997 20 0 BCADLP CCCOC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000843353738 588103358 /nfs/dbraw/zinc/10/33/58/588103358.db2.gz OHIBCOWVCAHFKX-GARJFASQSA-N 2 2 228.336 0.997 20 0 BCADLP CC[NH2+]CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000844188243 588171381 /nfs/dbraw/zinc/17/13/81/588171381.db2.gz VOXIOCFNDSRRJC-UHFFFAOYSA-N 2 2 236.319 0.725 20 0 BCADLP CC[NH2+]CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000844188243 588171383 /nfs/dbraw/zinc/17/13/83/588171383.db2.gz VOXIOCFNDSRRJC-UHFFFAOYSA-N 2 2 236.319 0.725 20 0 BCADLP CC[NH2+]CC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000844176508 588172128 /nfs/dbraw/zinc/17/21/28/588172128.db2.gz PLVNMVZHGADAMB-UHFFFAOYSA-N 2 2 246.314 0.868 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000844191795 588172797 /nfs/dbraw/zinc/17/27/97/588172797.db2.gz ZWRLDBPHRYOJJH-JTQLQIEISA-N 2 2 226.255 0.036 20 0 BCADLP C(C[NH+]1CCOCC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000844226240 588174238 /nfs/dbraw/zinc/17/42/38/588174238.db2.gz KNVDUSWUBIABNZ-ZDUSSCGKSA-N 2 2 239.363 0.147 20 0 BCADLP COCC[NH+]1CCN(CCCCCC[NH3+])CC1 ZINC000846222778 588261658 /nfs/dbraw/zinc/26/16/58/588261658.db2.gz ZMUZHOVTWNKLDZ-UHFFFAOYSA-N 2 2 243.395 0.770 20 0 BCADLP CSC(C)(C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000846671228 588281645 /nfs/dbraw/zinc/28/16/45/588281645.db2.gz PMMBKLXMGYZRHA-VIFPVBQESA-N 2 2 247.408 0.523 20 0 BCADLP CSC(C)(C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000846671227 588281754 /nfs/dbraw/zinc/28/17/54/588281754.db2.gz PMMBKLXMGYZRHA-SECBINFHSA-N 2 2 247.408 0.523 20 0 BCADLP CSCC[C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000846670670 588281802 /nfs/dbraw/zinc/28/18/02/588281802.db2.gz HFXJUECNWZVMOR-VHSXEESVSA-N 2 2 247.408 0.523 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCNC(=O)C1 ZINC000846795899 588289009 /nfs/dbraw/zinc/28/90/09/588289009.db2.gz ZLKMTDWQPSXAGW-UHFFFAOYSA-N 2 2 236.319 0.175 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CCCNC(=O)C1 ZINC000846795899 588289010 /nfs/dbraw/zinc/28/90/10/588289010.db2.gz ZLKMTDWQPSXAGW-UHFFFAOYSA-N 2 2 236.319 0.175 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@H](O)C2CC2)C1 ZINC000846838278 588292421 /nfs/dbraw/zinc/29/24/21/588292421.db2.gz MZFVHHSNELSBKZ-NEPJUHHUSA-N 2 2 235.331 0.980 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@H](O)C2CC2)C1 ZINC000846838278 588292422 /nfs/dbraw/zinc/29/24/22/588292422.db2.gz MZFVHHSNELSBKZ-NEPJUHHUSA-N 2 2 235.331 0.980 20 0 BCADLP CON1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000846974505 588299534 /nfs/dbraw/zinc/29/95/34/588299534.db2.gz BMQJPBAORDSWGC-UHFFFAOYSA-N 2 2 224.308 0.371 20 0 BCADLP C[NH2+]CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000848417410 588381510 /nfs/dbraw/zinc/38/15/10/588381510.db2.gz YQHJXWGCUPKOMG-SNVBAGLBSA-N 2 2 236.319 0.123 20 0 BCADLP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000848429638 588383644 /nfs/dbraw/zinc/38/36/44/588383644.db2.gz UHFBVEZKKPZAPM-DTWKUNHWSA-N 2 2 222.292 0.681 20 0 BCADLP CCn1nc(C)c(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000848723173 588408926 /nfs/dbraw/zinc/40/89/26/588408926.db2.gz XCPOQQLNXIFDKT-QWRGUYRKSA-N 2 2 237.351 0.966 20 0 BCADLP CCn1nc(C)c(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000848723172 588408980 /nfs/dbraw/zinc/40/89/80/588408980.db2.gz XCPOQQLNXIFDKT-MNOVXSKESA-N 2 2 237.351 0.966 20 0 BCADLP CCNC(=[NH2+])NCCc1cn2c([nH+]1)CCCC2 ZINC000848992244 588427333 /nfs/dbraw/zinc/42/73/33/588427333.db2.gz AUUBAZLZYKYGQW-UHFFFAOYSA-N 2 2 235.335 0.896 20 0 BCADLP Cn1c[nH+]c(CCNC(=[NH2+])NC2CCC2)c1 ZINC000849040491 588447750 /nfs/dbraw/zinc/44/77/50/588447750.db2.gz YFPRRIFJQKJMJJ-UHFFFAOYSA-N 2 2 221.308 0.629 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000849350297 588474806 /nfs/dbraw/zinc/47/48/06/588474806.db2.gz NCLVBMXQQRDQGU-UHFFFAOYSA-N 2 2 223.320 0.594 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000849350297 588474807 /nfs/dbraw/zinc/47/48/07/588474807.db2.gz NCLVBMXQQRDQGU-UHFFFAOYSA-N 2 2 223.320 0.594 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H](CCO)C2CC2)n1C ZINC000850157854 588522351 /nfs/dbraw/zinc/52/23/51/588522351.db2.gz MVSRCDRJNSLVAX-GFCCVEGCSA-N 2 2 223.320 0.979 20 0 BCADLP CCN(OC)C(=O)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000850338461 588537241 /nfs/dbraw/zinc/53/72/41/588537241.db2.gz HOCQZKMUWSGVQC-UHFFFAOYSA-N 2 2 240.307 0.228 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000850440124 588546778 /nfs/dbraw/zinc/54/67/78/588546778.db2.gz WOIVUVRIMIYLCK-RYUDHWBXSA-N 2 2 237.351 0.741 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000850440124 588546779 /nfs/dbraw/zinc/54/67/79/588546779.db2.gz WOIVUVRIMIYLCK-RYUDHWBXSA-N 2 2 237.351 0.741 20 0 BCADLP C[NH+](C)C1CC[NH+](C[C@H]2CCC(=O)O2)CC1 ZINC000851726584 588617989 /nfs/dbraw/zinc/61/79/89/588617989.db2.gz TUAFZPAXJDXTTO-LLVKDONJSA-N 2 2 226.320 0.718 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCOCC[C@@H]1C ZINC000851906602 588642285 /nfs/dbraw/zinc/64/22/85/588642285.db2.gz NALKLPNLSGDOHD-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCOCC[C@@H]1C ZINC000851906602 588642286 /nfs/dbraw/zinc/64/22/86/588642286.db2.gz NALKLPNLSGDOHD-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCOCC[C@@H]1C ZINC000851906602 588642287 /nfs/dbraw/zinc/64/22/87/588642287.db2.gz NALKLPNLSGDOHD-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCOCC[C@@H]1C ZINC000851906602 588642288 /nfs/dbraw/zinc/64/22/88/588642288.db2.gz NALKLPNLSGDOHD-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP c1c[nH+]c([C@@H]2CCCN2C[C@@H]2C[NH2+]CCO2)[nH]1 ZINC000852750387 588700036 /nfs/dbraw/zinc/70/00/36/588700036.db2.gz STVGZYNMZVOPPE-QWRGUYRKSA-N 2 2 236.319 0.535 20 0 BCADLP CCC/C=C/C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000852797848 588703824 /nfs/dbraw/zinc/70/38/24/588703824.db2.gz CEZUZXLPBLOOFJ-MVIFTORASA-N 2 2 225.336 0.444 20 0 BCADLP CCC/C=C/C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000852797848 588703825 /nfs/dbraw/zinc/70/38/25/588703825.db2.gz CEZUZXLPBLOOFJ-MVIFTORASA-N 2 2 225.336 0.444 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C[C@H]([NH3+])C1CC1 ZINC000852837120 588707137 /nfs/dbraw/zinc/70/71/37/588707137.db2.gz QDMVSFSYCAKSOF-JTQLQIEISA-N 2 2 222.292 0.496 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C[C@H]([NH3+])C1CC1 ZINC000852837120 588707138 /nfs/dbraw/zinc/70/71/38/588707138.db2.gz QDMVSFSYCAKSOF-JTQLQIEISA-N 2 2 222.292 0.496 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1C=CCC1 ZINC000852847874 588708082 /nfs/dbraw/zinc/70/80/82/588708082.db2.gz WEOYWUVQCJVAJW-UWVGGRQHSA-N 2 2 211.309 0.100 20 0 BCADLP CCn1nnc(C)c1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000863540943 589296742 /nfs/dbraw/zinc/29/67/42/589296742.db2.gz WFGDZXWKGOJJHX-LLVKDONJSA-N 2 2 237.351 0.777 20 0 BCADLP CCn1nnc(C)c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000863540943 589296743 /nfs/dbraw/zinc/29/67/43/589296743.db2.gz WFGDZXWKGOJJHX-LLVKDONJSA-N 2 2 237.351 0.777 20 0 BCADLP COC(=O)C1=CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000863542312 589297005 /nfs/dbraw/zinc/29/70/05/589297005.db2.gz PCXJYVZOFNEBCT-ADEWGFFLSA-N 2 2 238.331 0.836 20 0 BCADLP CCO[C@H](C[N@H+](CC[NH3+])CCO)C1CC1 ZINC000863542794 589297202 /nfs/dbraw/zinc/29/72/02/589297202.db2.gz ZIERZESSYGGRQP-LLVKDONJSA-N 2 2 216.325 0.055 20 0 BCADLP CCO[C@H](C[N@@H+](CC[NH3+])CCO)C1CC1 ZINC000863542794 589297203 /nfs/dbraw/zinc/29/72/03/589297203.db2.gz ZIERZESSYGGRQP-LLVKDONJSA-N 2 2 216.325 0.055 20 0 BCADLP CCCOC(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+] ZINC000863557494 589298741 /nfs/dbraw/zinc/29/87/41/589298741.db2.gz OIXUGSWKPWXHMV-SNVBAGLBSA-N 2 2 232.324 0.235 20 0 BCADLP CCCOC(=O)[C@@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000863557494 589298742 /nfs/dbraw/zinc/29/87/42/589298742.db2.gz OIXUGSWKPWXHMV-SNVBAGLBSA-N 2 2 232.324 0.235 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC000863569242 589300433 /nfs/dbraw/zinc/30/04/33/589300433.db2.gz RZLLXNOWXMSKNC-SECBINFHSA-N 2 2 209.293 0.164 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccn(C)c(=O)c1 ZINC000863569242 589300434 /nfs/dbraw/zinc/30/04/34/589300434.db2.gz RZLLXNOWXMSKNC-SECBINFHSA-N 2 2 209.293 0.164 20 0 BCADLP COC1(C[N@H+](CC[NH3+])CCO)CCCC1 ZINC000863642337 589306794 /nfs/dbraw/zinc/30/67/94/589306794.db2.gz XSPARTPYSNHYTM-UHFFFAOYSA-N 2 2 216.325 0.199 20 0 BCADLP COC1(C[N@@H+](CC[NH3+])CCO)CCCC1 ZINC000863642337 589306796 /nfs/dbraw/zinc/30/67/96/589306796.db2.gz XSPARTPYSNHYTM-UHFFFAOYSA-N 2 2 216.325 0.199 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc2c(c1)nnn2C ZINC000863651441 589307480 /nfs/dbraw/zinc/30/74/80/589307480.db2.gz ITFGSWXKHKFQEA-SECBINFHSA-N 2 2 233.319 0.747 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc2c(c1)nnn2C ZINC000863651441 589307482 /nfs/dbraw/zinc/30/74/82/589307482.db2.gz ITFGSWXKHKFQEA-SECBINFHSA-N 2 2 233.319 0.747 20 0 BCADLP CC[N@@H+](CCNc1nc(C)[nH+]c(N)n1)C(C)C ZINC000865500750 589441581 /nfs/dbraw/zinc/44/15/81/589441581.db2.gz WDLHCVRJZZMSMK-UHFFFAOYSA-N 2 2 238.339 0.904 20 0 BCADLP CC[N@H+](CCNc1nc(C)[nH+]c(N)n1)C(C)C ZINC000865500750 589441579 /nfs/dbraw/zinc/44/15/79/589441579.db2.gz WDLHCVRJZZMSMK-UHFFFAOYSA-N 2 2 238.339 0.904 20 0 BCADLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)CO1 ZINC000865658979 589454897 /nfs/dbraw/zinc/45/48/97/589454897.db2.gz BNPXSIXQBBINFJ-SDDRHHMPSA-N 2 2 242.363 0.599 20 0 BCADLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)CO1 ZINC000865658979 589454898 /nfs/dbraw/zinc/45/48/98/589454898.db2.gz BNPXSIXQBBINFJ-SDDRHHMPSA-N 2 2 242.363 0.599 20 0 BCADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C2CCOCC2)C1 ZINC000865660338 589454986 /nfs/dbraw/zinc/45/49/86/589454986.db2.gz YJYBJNJHRIPPJQ-LBPRGKRZSA-N 2 2 242.363 0.600 20 0 BCADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C2CCOCC2)C1 ZINC000865660338 589454987 /nfs/dbraw/zinc/45/49/87/589454987.db2.gz YJYBJNJHRIPPJQ-LBPRGKRZSA-N 2 2 242.363 0.600 20 0 BCADLP c1nc2n(n1)[C@H](C[N@@H+]1CC[C@@]3(CCC[NH2+]3)C1)CC2 ZINC000866666845 589509848 /nfs/dbraw/zinc/50/98/48/589509848.db2.gz WMBBYYBWYQPTRG-AAEUAGOBSA-N 2 2 247.346 0.593 20 0 BCADLP c1nc2n(n1)[C@H](C[N@H+]1CC[C@@]3(CCC[NH2+]3)C1)CC2 ZINC000866666845 589509849 /nfs/dbraw/zinc/50/98/49/589509849.db2.gz WMBBYYBWYQPTRG-AAEUAGOBSA-N 2 2 247.346 0.593 20 0 BCADLP CC1(C)C[C@H](O)C[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000866702712 589513364 /nfs/dbraw/zinc/51/33/64/589513364.db2.gz FMNOEGYUODDUMG-WDEREUQCSA-N 2 2 228.336 0.068 20 0 BCADLP CC1(C)C[C@H](O)C[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000866702712 589513365 /nfs/dbraw/zinc/51/33/65/589513365.db2.gz FMNOEGYUODDUMG-WDEREUQCSA-N 2 2 228.336 0.068 20 0 BCADLP Nc1cc(CN2CCC[C@@H]3[NH2+]CC[C@H]32)cc[nH+]1 ZINC000866723833 589515769 /nfs/dbraw/zinc/51/57/69/589515769.db2.gz JCXDWDPRMALROX-NWDGAFQWSA-N 2 2 232.331 0.990 20 0 BCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000867998448 589543076 /nfs/dbraw/zinc/54/30/76/589543076.db2.gz CHZYLHCZGFKHKR-CHWSQXEVSA-N 2 2 245.326 0.651 20 0 BCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000867998448 589543077 /nfs/dbraw/zinc/54/30/77/589543077.db2.gz CHZYLHCZGFKHKR-CHWSQXEVSA-N 2 2 245.326 0.651 20 0 BCADLP C[N@@H+]1CCn2nc(NC(=O)C[NH2+]C3CC3)cc2C1 ZINC000868037019 589545689 /nfs/dbraw/zinc/54/56/89/589545689.db2.gz NOEPRQVYBJTJPC-UHFFFAOYSA-N 2 2 249.318 0.019 20 0 BCADLP C[N@H+]1CCn2nc(NC(=O)C[NH2+]C3CC3)cc2C1 ZINC000868037019 589545690 /nfs/dbraw/zinc/54/56/90/589545690.db2.gz NOEPRQVYBJTJPC-UHFFFAOYSA-N 2 2 249.318 0.019 20 0 BCADLP CN1CCN(C(=O)CCC[NH3+])Cc2ccc[nH+]c21 ZINC000871020731 589712641 /nfs/dbraw/zinc/71/26/41/589712641.db2.gz JAPNHOVYXMVCHS-UHFFFAOYSA-N 2 2 248.330 0.599 20 0 BCADLP C[C@H](C[NH3+])C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000871021652 589713732 /nfs/dbraw/zinc/71/37/32/589713732.db2.gz UKFLYUIDIYGTET-SNVBAGLBSA-N 2 2 248.330 0.455 20 0 BCADLP CN1CCN(C(=O)[C@H]2CC[NH2+]2)Cc2ccc[nH+]c21 ZINC000871021227 589714089 /nfs/dbraw/zinc/71/40/89/589714089.db2.gz PBHHDXXUSSGQDM-LLVKDONJSA-N 2 2 246.314 0.222 20 0 BCADLP C[NH+](C)CC[NH2+]C1CCC2(CC1)OCCO2 ZINC000019261390 589831508 /nfs/dbraw/zinc/83/15/08/589831508.db2.gz ORIYKJCNCGAFKE-UHFFFAOYSA-N 2 2 228.336 0.823 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872127333 589877019 /nfs/dbraw/zinc/87/70/19/589877019.db2.gz ZYAPDPUHENGLGW-XRRVDJEJSA-N 2 2 224.348 0.830 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872127333 589877020 /nfs/dbraw/zinc/87/70/20/589877020.db2.gz ZYAPDPUHENGLGW-XRRVDJEJSA-N 2 2 224.348 0.830 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000872150602 589884833 /nfs/dbraw/zinc/88/48/33/589884833.db2.gz XTYMVQAZJBUQKA-GRYCIOLGSA-N 3 2 209.337 0.137 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000872150602 589884835 /nfs/dbraw/zinc/88/48/35/589884835.db2.gz XTYMVQAZJBUQKA-GRYCIOLGSA-N 3 2 209.337 0.137 20 0 BCADLP Cn1nccc1CC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000872146050 589885274 /nfs/dbraw/zinc/88/52/74/589885274.db2.gz CSVUAJJWLLSFIC-STQMWFEESA-N 2 2 234.347 0.789 20 0 BCADLP Cn1nccc1CC[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000872146050 589885276 /nfs/dbraw/zinc/88/52/76/589885276.db2.gz CSVUAJJWLLSFIC-STQMWFEESA-N 2 2 234.347 0.789 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)CC(C)(C)O ZINC000872201370 589890043 /nfs/dbraw/zinc/89/00/43/589890043.db2.gz YLTWNOOJCGUOPL-GHMZBOCLSA-N 2 2 241.335 0.383 20 0 BCADLP CN1CCN(C(=O)C[NH+](C)C)Cc2ccc[nH+]c21 ZINC000872305332 589908283 /nfs/dbraw/zinc/90/82/83/589908283.db2.gz UQYZMNFJJOAWAS-UHFFFAOYSA-N 2 2 248.330 0.422 20 0 BCADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCNC(=O)CC1 ZINC000873064883 589982238 /nfs/dbraw/zinc/98/22/38/589982238.db2.gz LEOARSVSAJETIS-NWDGAFQWSA-N 2 2 239.363 0.729 20 0 BCADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCNC(=O)CC1 ZINC000873064883 589982239 /nfs/dbraw/zinc/98/22/39/589982239.db2.gz LEOARSVSAJETIS-NWDGAFQWSA-N 2 2 239.363 0.729 20 0 BCADLP CC[C@@H]1C[N@H+](Cc2cnc(N)cn2)CC[C@H]1[NH3+] ZINC000873200565 589992857 /nfs/dbraw/zinc/99/28/57/589992857.db2.gz COLLWNFIPJBSOQ-MWLCHTKSSA-N 2 2 235.335 0.618 20 0 BCADLP CC[C@@H]1C[N@@H+](Cc2cnc(N)cn2)CC[C@H]1[NH3+] ZINC000873200565 589992859 /nfs/dbraw/zinc/99/28/59/589992859.db2.gz COLLWNFIPJBSOQ-MWLCHTKSSA-N 2 2 235.335 0.618 20 0 BCADLP C[N@H+](CC12CC(C1)C[NH2+]2)C1CCC([NH3+])CC1 ZINC000873201572 589993225 /nfs/dbraw/zinc/99/32/25/589993225.db2.gz LSEDHDLYUOUCRZ-UHFFFAOYSA-N 3 2 223.364 0.940 20 0 BCADLP C[N@@H+](CC12CC(C1)C[NH2+]2)C1CCC([NH3+])CC1 ZINC000873201572 589993226 /nfs/dbraw/zinc/99/32/26/589993226.db2.gz LSEDHDLYUOUCRZ-UHFFFAOYSA-N 3 2 223.364 0.940 20 0 BCADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cnc(N)cn1 ZINC000873210585 589995109 /nfs/dbraw/zinc/99/51/09/589995109.db2.gz LBUPBSZOHRRGTJ-SECBINFHSA-N 2 2 209.297 0.132 20 0 BCADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cnc(N)cn1 ZINC000873213420 589997344 /nfs/dbraw/zinc/99/73/44/589997344.db2.gz YVSQBJXSBSHSOT-SNVBAGLBSA-N 2 2 235.335 0.537 20 0 BCADLP COCCC1([NH2+]Cc2cc[nH]n2)CC[NH2+]CC1 ZINC000873225197 590000364 /nfs/dbraw/zinc/00/03/64/590000364.db2.gz TYVZDNUPTNBNEG-UHFFFAOYSA-N 2 2 238.335 0.658 20 0 BCADLP Cn1c[nH+]cc1CN[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873231447 590003415 /nfs/dbraw/zinc/00/34/15/590003415.db2.gz NXBYCRPLMXVDLU-VXGBXAGGSA-N 2 2 220.320 0.794 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256263 590010585 /nfs/dbraw/zinc/01/05/85/590010585.db2.gz NJBFRJMLWBJZJZ-DDHJBXDOSA-N 3 2 227.352 0.080 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000873255699 590011206 /nfs/dbraw/zinc/01/12/06/590011206.db2.gz IHOWCSVJMMMFAC-KKOKHZNYSA-N 3 2 223.364 0.939 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000873255699 590011208 /nfs/dbraw/zinc/01/12/08/590011208.db2.gz IHOWCSVJMMMFAC-KKOKHZNYSA-N 3 2 223.364 0.939 20 0 BCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC2(C)C)[C@@H](C[NH3+])C1 ZINC000124471545 590018740 /nfs/dbraw/zinc/01/87/40/590018740.db2.gz ZGDNYBFYYFNDIJ-UWVGGRQHSA-N 2 2 225.336 0.134 20 0 BCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC2(C)C)[C@@H](C[NH3+])C1 ZINC000124471545 590018741 /nfs/dbraw/zinc/01/87/41/590018741.db2.gz ZGDNYBFYYFNDIJ-UWVGGRQHSA-N 2 2 225.336 0.134 20 0 BCADLP Cc1nonc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000873295531 590023880 /nfs/dbraw/zinc/02/38/80/590023880.db2.gz JLCFUZGSMYKXIV-SCZZXKLOSA-N 2 2 224.308 0.856 20 0 BCADLP CCCC[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000020044431 590070253 /nfs/dbraw/zinc/07/02/53/590070253.db2.gz JXEWLHPWFUBNAG-UHFFFAOYSA-N 2 2 213.325 0.150 20 0 BCADLP Nc1ccc(NC(=O)[C@H]2[C@@H](C[NH3+])C2(F)F)c[nH+]1 ZINC000876522959 590207920 /nfs/dbraw/zinc/20/79/20/590207920.db2.gz HGZNACSFJIBECW-HTRCEHHLSA-N 2 2 242.229 0.442 20 0 BCADLP Nc1ccc(NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)c[nH+]1 ZINC000876523496 590208166 /nfs/dbraw/zinc/20/81/66/590208166.db2.gz YDCVJUOOKALQIY-XVKPBYJWSA-N 2 2 238.266 0.550 20 0 BCADLP CCC[C@@H](CC)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000876542184 590212624 /nfs/dbraw/zinc/21/26/24/590212624.db2.gz LGCZSAHNWNMDTJ-VXGBXAGGSA-N 2 2 241.379 0.914 20 0 BCADLP CCC[C@@H](CC)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000876542184 590212625 /nfs/dbraw/zinc/21/26/25/590212625.db2.gz LGCZSAHNWNMDTJ-VXGBXAGGSA-N 2 2 241.379 0.914 20 0 BCADLP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000876709752 590232756 /nfs/dbraw/zinc/23/27/56/590232756.db2.gz ZKDVSAJIUWRDBX-ZJUUUORDSA-N 2 2 236.319 0.373 20 0 BCADLP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCCn1cc[nH+]c1 ZINC000876708885 590232931 /nfs/dbraw/zinc/23/29/31/590232931.db2.gz CVFUADJOFMMTFP-PCAWENJQSA-N 2 2 248.330 0.555 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876753430 590238097 /nfs/dbraw/zinc/23/80/97/590238097.db2.gz KUQCFMBVBLMNFB-SGUJLRQBSA-N 2 2 248.330 0.592 20 0 BCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000877020181 590270009 /nfs/dbraw/zinc/27/00/09/590270009.db2.gz YWHJPTYAEPHFOQ-IJLUTSLNSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000877020181 590270010 /nfs/dbraw/zinc/27/00/10/590270010.db2.gz YWHJPTYAEPHFOQ-IJLUTSLNSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@H]([NH3+])CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000877105943 590285069 /nfs/dbraw/zinc/28/50/69/590285069.db2.gz TXUJOBBKHXWCSQ-UWVGGRQHSA-N 2 2 224.308 0.640 20 0 BCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000877233645 590301722 /nfs/dbraw/zinc/30/17/22/590301722.db2.gz ZMFACTPXBPSRCY-ANDSXOESSA-N 2 2 248.330 0.780 20 0 BCADLP [NH3+]CC(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000877265006 590304782 /nfs/dbraw/zinc/30/47/82/590304782.db2.gz FBEQBNKICQSUBN-NSHDSACASA-N 2 2 246.314 0.351 20 0 BCADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C2CSC2)C1 ZINC000877665654 590388820 /nfs/dbraw/zinc/38/88/20/590388820.db2.gz ZWIQAZTUMZBBPY-VIFPVBQESA-N 2 2 230.377 0.537 20 0 BCADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C2CSC2)C1 ZINC000877665654 590388821 /nfs/dbraw/zinc/38/88/21/590388821.db2.gz ZWIQAZTUMZBBPY-VIFPVBQESA-N 2 2 230.377 0.537 20 0 BCADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cn[nH]c3)CC[C@@H]21 ZINC000877739975 590407225 /nfs/dbraw/zinc/40/72/25/590407225.db2.gz PWELBSGCLCQFDL-RYUDHWBXSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cn[nH]c3)CC[C@@H]21 ZINC000877739975 590407226 /nfs/dbraw/zinc/40/72/26/590407226.db2.gz PWELBSGCLCQFDL-RYUDHWBXSA-N 2 2 220.320 0.936 20 0 BCADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cn[nH]c3)CC[C@@H]21 ZINC000877739975 590407228 /nfs/dbraw/zinc/40/72/28/590407228.db2.gz PWELBSGCLCQFDL-RYUDHWBXSA-N 2 2 220.320 0.936 20 0 BCADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cn[nH]c3)CC[C@@H]21 ZINC000877739975 590407230 /nfs/dbraw/zinc/40/72/30/590407230.db2.gz PWELBSGCLCQFDL-RYUDHWBXSA-N 2 2 220.320 0.936 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877741314 590409512 /nfs/dbraw/zinc/40/95/12/590409512.db2.gz ANVFUEVNMQGKFY-DGCLKSJQSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877741314 590409515 /nfs/dbraw/zinc/40/95/15/590409515.db2.gz ANVFUEVNMQGKFY-DGCLKSJQSA-N 2 2 234.347 0.946 20 0 BCADLP O[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C[C@@H]1O ZINC000877748802 590412817 /nfs/dbraw/zinc/41/28/17/590412817.db2.gz AYURZABIAXPAPX-NEPJUHHUSA-N 2 2 247.298 0.262 20 0 BCADLP O[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C[C@@H]1O ZINC000877748802 590412819 /nfs/dbraw/zinc/41/28/19/590412819.db2.gz AYURZABIAXPAPX-NEPJUHHUSA-N 2 2 247.298 0.262 20 0 BCADLP c1[nH]cc(C2CC[NH+](CCn3cnnn3)CC2)[nH+]1 ZINC000878267192 590531829 /nfs/dbraw/zinc/53/18/29/590531829.db2.gz QRQFVLAZPWOVIG-UHFFFAOYSA-N 2 2 247.306 0.276 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCOC[C@H]1CCO ZINC000878318591 590543740 /nfs/dbraw/zinc/54/37/40/590543740.db2.gz VZMAAALAARXXTE-GFCCVEGCSA-N 2 2 239.319 0.046 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCOC[C@H]1CCO ZINC000878318591 590543743 /nfs/dbraw/zinc/54/37/43/590543743.db2.gz VZMAAALAARXXTE-GFCCVEGCSA-N 2 2 239.319 0.046 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@]12CCOC2=O ZINC000878463795 590571772 /nfs/dbraw/zinc/57/17/72/590571772.db2.gz ITCOINSJADVBFD-ZDUSSCGKSA-N 2 2 249.314 0.744 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@]12CCOC2=O ZINC000878463795 590571775 /nfs/dbraw/zinc/57/17/75/590571775.db2.gz ITCOINSJADVBFD-ZDUSSCGKSA-N 2 2 249.314 0.744 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@]12CCOC2=O ZINC000878463794 590572132 /nfs/dbraw/zinc/57/21/32/590572132.db2.gz ITCOINSJADVBFD-CYBMUJFWSA-N 2 2 249.314 0.744 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@]12CCOC2=O ZINC000878463794 590572134 /nfs/dbraw/zinc/57/21/34/590572134.db2.gz ITCOINSJADVBFD-CYBMUJFWSA-N 2 2 249.314 0.744 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)NC3CC3)CC[C@H]21 ZINC000879567172 590807589 /nfs/dbraw/zinc/80/75/89/590807589.db2.gz NJMGIAUXSHIXGA-ZYHUDNBSSA-N 2 2 237.347 0.291 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)NC3CC3)CC[C@H]21 ZINC000879567172 590807592 /nfs/dbraw/zinc/80/75/92/590807592.db2.gz NJMGIAUXSHIXGA-ZYHUDNBSSA-N 2 2 237.347 0.291 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)NC3CC3)CC[C@H]21 ZINC000879567172 590807598 /nfs/dbraw/zinc/80/75/98/590807598.db2.gz NJMGIAUXSHIXGA-ZYHUDNBSSA-N 2 2 237.347 0.291 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@H]21 ZINC000879567172 590807600 /nfs/dbraw/zinc/80/76/00/590807600.db2.gz NJMGIAUXSHIXGA-ZYHUDNBSSA-N 2 2 237.347 0.291 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC(=O)O3)CC[C@H]21 ZINC000879578305 590813472 /nfs/dbraw/zinc/81/34/72/590813472.db2.gz CYFZYQFVTMLCCU-GRYCIOLGSA-N 2 2 238.331 0.718 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC(=O)O3)CC[C@H]21 ZINC000879578305 590813473 /nfs/dbraw/zinc/81/34/73/590813473.db2.gz CYFZYQFVTMLCCU-GRYCIOLGSA-N 2 2 238.331 0.718 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCC(=O)O3)CC[C@H]21 ZINC000879578305 590813475 /nfs/dbraw/zinc/81/34/75/590813475.db2.gz CYFZYQFVTMLCCU-GRYCIOLGSA-N 2 2 238.331 0.718 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC(=O)O3)CC[C@H]21 ZINC000879578305 590813476 /nfs/dbraw/zinc/81/34/76/590813476.db2.gz CYFZYQFVTMLCCU-GRYCIOLGSA-N 2 2 238.331 0.718 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCCNC3=O)CC[C@H]21 ZINC000879577512 590815131 /nfs/dbraw/zinc/81/51/31/590815131.db2.gz JTIJXMBRWWWLTC-IJLUTSLNSA-N 2 2 237.347 0.291 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCCNC3=O)CC[C@H]21 ZINC000879577512 590815136 /nfs/dbraw/zinc/81/51/36/590815136.db2.gz JTIJXMBRWWWLTC-IJLUTSLNSA-N 2 2 237.347 0.291 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)CC[C@H]21 ZINC000879577512 590815138 /nfs/dbraw/zinc/81/51/38/590815138.db2.gz JTIJXMBRWWWLTC-IJLUTSLNSA-N 2 2 237.347 0.291 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)CC[C@H]21 ZINC000879577512 590815142 /nfs/dbraw/zinc/81/51/42/590815142.db2.gz JTIJXMBRWWWLTC-IJLUTSLNSA-N 2 2 237.347 0.291 20 0 BCADLP Cn1c[nH+]c(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000879580449 590822584 /nfs/dbraw/zinc/82/25/84/590822584.db2.gz HROAGBSQGVMHNW-YPMHNXCESA-N 2 2 234.347 0.946 20 0 BCADLP Cn1c[nH+]c(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000879580449 590822582 /nfs/dbraw/zinc/82/25/82/590822582.db2.gz HROAGBSQGVMHNW-YPMHNXCESA-N 2 2 234.347 0.946 20 0 BCADLP CC(=O)NCCC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880134521 590938242 /nfs/dbraw/zinc/93/82/42/590938242.db2.gz SUXRDERETIBXND-STQMWFEESA-N 2 2 239.363 0.681 20 0 BCADLP CC(=O)NCCC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880134521 590938244 /nfs/dbraw/zinc/93/82/44/590938244.db2.gz SUXRDERETIBXND-STQMWFEESA-N 2 2 239.363 0.681 20 0 BCADLP CC(=O)NCCC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880134521 590938246 /nfs/dbraw/zinc/93/82/46/590938246.db2.gz SUXRDERETIBXND-STQMWFEESA-N 2 2 239.363 0.681 20 0 BCADLP CC(=O)NCCC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880134521 590938248 /nfs/dbraw/zinc/93/82/48/590938248.db2.gz SUXRDERETIBXND-STQMWFEESA-N 2 2 239.363 0.681 20 0 BCADLP Cn1cc(CC[N@@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)nn1 ZINC000880140884 590941698 /nfs/dbraw/zinc/94/16/98/590941698.db2.gz DYAOZZLKKBJWLI-STQMWFEESA-N 2 2 249.362 0.526 20 0 BCADLP Cn1cc(CC[N@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)nn1 ZINC000880140884 590941699 /nfs/dbraw/zinc/94/16/99/590941699.db2.gz DYAOZZLKKBJWLI-STQMWFEESA-N 2 2 249.362 0.526 20 0 BCADLP Cn1cc(CC[NH+]2CC[C@H]3[C@@H]2CCC[N@@H+]3C)nn1 ZINC000880140884 590941701 /nfs/dbraw/zinc/94/17/01/590941701.db2.gz DYAOZZLKKBJWLI-STQMWFEESA-N 2 2 249.362 0.526 20 0 BCADLP Cn1cc(CC[NH+]2CC[C@H]3[C@@H]2CCC[N@H+]3C)nn1 ZINC000880140884 590941702 /nfs/dbraw/zinc/94/17/02/590941702.db2.gz DYAOZZLKKBJWLI-STQMWFEESA-N 2 2 249.362 0.526 20 0 BCADLP CC1([NH+]2CCC2)CC[NH+](CCn2cncn2)CC1 ZINC000880472451 591052839 /nfs/dbraw/zinc/05/28/39/591052839.db2.gz PBXPTKHZTLOUMU-UHFFFAOYSA-N 2 2 249.362 0.838 20 0 BCADLP Cn1c[nH+]cc1C[N@@H+]1CCc2ncncc2C1 ZINC000880594294 591105738 /nfs/dbraw/zinc/10/57/38/591105738.db2.gz BIRNDOISFQWBCQ-UHFFFAOYSA-N 2 2 229.287 0.768 20 0 BCADLP Cn1c[nH+]cc1C[N@H+]1CCc2ncncc2C1 ZINC000880594294 591105740 /nfs/dbraw/zinc/10/57/40/591105740.db2.gz BIRNDOISFQWBCQ-UHFFFAOYSA-N 2 2 229.287 0.768 20 0 BCADLP C[C@H]([NH3+])c1cn(Cc2ccc(N(C)C)[nH+]c2)nn1 ZINC000881381266 591198196 /nfs/dbraw/zinc/19/81/96/591198196.db2.gz USWKXOPENOWMTQ-VIFPVBQESA-N 2 2 246.318 0.807 20 0 BCADLP C[NH+]1CCC([NH2+]CCC[S@@](C)=O)CC1 ZINC000129413948 591293654 /nfs/dbraw/zinc/29/36/54/591293654.db2.gz LPSQNJISAJEPCU-AWEZNQCLSA-N 2 2 218.366 0.439 20 0 BCADLP CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000882486407 591360386 /nfs/dbraw/zinc/36/03/86/591360386.db2.gz KKIHJZDRFKPVRM-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000882486407 591360392 /nfs/dbraw/zinc/36/03/92/591360392.db2.gz KKIHJZDRFKPVRM-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000882486407 591360396 /nfs/dbraw/zinc/36/03/96/591360396.db2.gz KKIHJZDRFKPVRM-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000882486407 591360398 /nfs/dbraw/zinc/36/03/98/591360398.db2.gz KKIHJZDRFKPVRM-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000882486404 591362447 /nfs/dbraw/zinc/36/24/47/591362447.db2.gz KKIHJZDRFKPVRM-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000882486404 591362454 /nfs/dbraw/zinc/36/24/54/591362454.db2.gz KKIHJZDRFKPVRM-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000882486404 591362461 /nfs/dbraw/zinc/36/24/61/591362461.db2.gz KKIHJZDRFKPVRM-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000882486404 591362466 /nfs/dbraw/zinc/36/24/66/591362466.db2.gz KKIHJZDRFKPVRM-NEPJUHHUSA-N 2 2 239.363 0.681 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCOC1=O ZINC000130791275 591520220 /nfs/dbraw/zinc/52/02/20/591520220.db2.gz GAMFATWXVYHSQN-NSHDSACASA-N 2 2 237.303 0.829 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCOC1=O ZINC000130791275 591520226 /nfs/dbraw/zinc/52/02/26/591520226.db2.gz GAMFATWXVYHSQN-NSHDSACASA-N 2 2 237.303 0.829 20 0 BCADLP COC[C@@](C)(CCO)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883422775 591657973 /nfs/dbraw/zinc/65/79/73/591657973.db2.gz UXQVTPOMCWZBEO-GARJFASQSA-N 2 2 234.315 0.064 20 0 BCADLP [NH3+]CC[N@H+](CCO)C[C@@H]1CCC2(CCCC2)O1 ZINC000883424742 591658583 /nfs/dbraw/zinc/65/85/83/591658583.db2.gz CDIUTEZZCFYPHA-LBPRGKRZSA-N 2 2 242.363 0.731 20 0 BCADLP [NH3+]CC[N@@H+](CCO)C[C@@H]1CCC2(CCCC2)O1 ZINC000883424742 591658584 /nfs/dbraw/zinc/65/85/84/591658584.db2.gz CDIUTEZZCFYPHA-LBPRGKRZSA-N 2 2 242.363 0.731 20 0 BCADLP C[N@H+](CC[NH3+])C[C@@H]1CCC2(CCOCC2)CO1 ZINC000883432475 591662844 /nfs/dbraw/zinc/66/28/44/591662844.db2.gz RZSHBLAQPBZLSO-LBPRGKRZSA-N 2 2 242.363 0.853 20 0 BCADLP C[N@@H+](CC[NH3+])C[C@@H]1CCC2(CCOCC2)CO1 ZINC000883432475 591662847 /nfs/dbraw/zinc/66/28/47/591662847.db2.gz RZSHBLAQPBZLSO-LBPRGKRZSA-N 2 2 242.363 0.853 20 0 BCADLP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000883450806 591670970 /nfs/dbraw/zinc/67/09/70/591670970.db2.gz YIPYQFRIKBJODO-NEPJUHHUSA-N 2 2 249.362 0.839 20 0 BCADLP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000883450806 591670973 /nfs/dbraw/zinc/67/09/73/591670973.db2.gz YIPYQFRIKBJODO-NEPJUHHUSA-N 2 2 249.362 0.839 20 0 BCADLP C([C@@H]1CC[NH2+]C1)[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000883456822 591672632 /nfs/dbraw/zinc/67/26/32/591672632.db2.gz KONKUDGDCIHPCY-GFCCVEGCSA-N 3 2 223.364 0.814 20 0 BCADLP C([C@@H]1CC[NH2+]C1)[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883456822 591672634 /nfs/dbraw/zinc/67/26/34/591672634.db2.gz KONKUDGDCIHPCY-GFCCVEGCSA-N 3 2 223.364 0.814 20 0 BCADLP CC1(C)C[NH2+]C[C@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000884024863 591805985 /nfs/dbraw/zinc/80/59/85/591805985.db2.gz FJFWQVSNYLOWQB-VIFPVBQESA-N 2 2 234.303 0.848 20 0 BCADLP C[NH2+][C@@H](CC(C)C)C(=O)NCCn1cc[nH+]c1 ZINC000884179391 591867959 /nfs/dbraw/zinc/86/79/59/591867959.db2.gz NBEKSGJHOYMXQR-NSHDSACASA-N 2 2 238.335 0.633 20 0 BCADLP CCC(O)(CC)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000134044215 591878178 /nfs/dbraw/zinc/87/81/78/591878178.db2.gz HANNJVXRHKTKIC-VXGBXAGGSA-N 2 2 244.379 0.894 20 0 BCADLP Cc1cn(C(C)(C)C(=O)N(C)CC[NH3+])c[nH+]1 ZINC000884342051 591906384 /nfs/dbraw/zinc/90/63/84/591906384.db2.gz OOKQCNVLJQMDOX-UHFFFAOYSA-N 2 2 224.308 0.344 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000886225672 592180854 /nfs/dbraw/zinc/18/08/54/592180854.db2.gz APDYEFXAZVZSCL-LPWJVIDDSA-N 2 2 242.363 0.456 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000886225672 592180856 /nfs/dbraw/zinc/18/08/56/592180856.db2.gz APDYEFXAZVZSCL-LPWJVIDDSA-N 2 2 242.363 0.456 20 0 BCADLP Cn1c[nH+]cc1C[N@@H+]1CCCn2nncc2C1 ZINC000886457535 592226934 /nfs/dbraw/zinc/22/69/34/592226934.db2.gz DLGOXLSTXVEPMX-UHFFFAOYSA-N 2 2 232.291 0.418 20 0 BCADLP Cn1c[nH+]cc1C[N@H+]1CCCn2nncc2C1 ZINC000886457535 592226935 /nfs/dbraw/zinc/22/69/35/592226935.db2.gz DLGOXLSTXVEPMX-UHFFFAOYSA-N 2 2 232.291 0.418 20 0 BCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C1 ZINC000886522730 592243864 /nfs/dbraw/zinc/24/38/64/592243864.db2.gz PZCAVWWFYDVWJE-GMTAPVOTSA-N 2 2 228.336 0.868 20 0 BCADLP CC[N@H+](C[C@@H]1CCc2ncnn21)[C@H]1CC[NH2+]C1 ZINC000886846668 592363973 /nfs/dbraw/zinc/36/39/73/592363973.db2.gz JIDXGCJXIHINMU-QWRGUYRKSA-N 2 2 235.335 0.449 20 0 BCADLP CC[N@@H+](C[C@@H]1CCc2ncnn21)[C@H]1CC[NH2+]C1 ZINC000886846668 592363975 /nfs/dbraw/zinc/36/39/75/592363975.db2.gz JIDXGCJXIHINMU-QWRGUYRKSA-N 2 2 235.335 0.449 20 0 BCADLP CCOC(=O)[C@@]1(F)C[N@H+](CCC[NH3+])C[C@@H]1CC ZINC000886860231 592371114 /nfs/dbraw/zinc/37/11/14/592371114.db2.gz WMUWVMNOQCTLLV-CMPLNLGQSA-N 2 2 246.326 0.948 20 0 BCADLP CCOC(=O)[C@@]1(F)C[N@@H+](CCC[NH3+])C[C@@H]1CC ZINC000886860231 592371118 /nfs/dbraw/zinc/37/11/18/592371118.db2.gz WMUWVMNOQCTLLV-CMPLNLGQSA-N 2 2 246.326 0.948 20 0 BCADLP CCNC(=O)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872743 592378269 /nfs/dbraw/zinc/37/82/69/592378269.db2.gz ZXMMOJYVRVFNTH-CYBMUJFWSA-N 2 2 239.363 0.588 20 0 BCADLP CCNC(=O)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872743 592378275 /nfs/dbraw/zinc/37/82/75/592378275.db2.gz ZXMMOJYVRVFNTH-CYBMUJFWSA-N 2 2 239.363 0.588 20 0 BCADLP COCC[N@H+](C)CCNC(=[NH2+])NCC1CC1 ZINC000887352477 592485750 /nfs/dbraw/zinc/48/57/50/592485750.db2.gz BORUXIKWZNGSGI-UHFFFAOYSA-N 2 2 228.340 0.089 20 0 BCADLP COCC[N@@H+](C)CCNC(=[NH2+])NCC1CC1 ZINC000887352477 592485752 /nfs/dbraw/zinc/48/57/52/592485752.db2.gz BORUXIKWZNGSGI-UHFFFAOYSA-N 2 2 228.340 0.089 20 0 BCADLP C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC000887925799 592560126 /nfs/dbraw/zinc/56/01/26/592560126.db2.gz QTKPXQGFIIZVAH-YPMHNXCESA-N 2 2 248.330 0.293 20 0 BCADLP C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC000887925799 592560129 /nfs/dbraw/zinc/56/01/29/592560129.db2.gz QTKPXQGFIIZVAH-YPMHNXCESA-N 2 2 248.330 0.293 20 0 BCADLP Cn1c[nH+]c(CNC(=O)C[NH+]2CCCC2)c1 ZINC000890109701 592684498 /nfs/dbraw/zinc/68/44/98/592684498.db2.gz QTBRBLCIJDJRMJ-UHFFFAOYSA-N 2 2 222.292 0.132 20 0 BCADLP C[C@@]1(CC[NH2+][C@H]2C[NH2+]CCOC2)CC1(F)F ZINC000925705451 634385339 /nfs/dbraw/zinc/38/53/39/634385339.db2.gz BVDRTWJASQHDIE-VHSXEESVSA-N 2 2 234.290 1.000 20 0 BCADLP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C12CCC2 ZINC000925709633 634402964 /nfs/dbraw/zinc/40/29/64/634402964.db2.gz ORHJUXFBXCHMFQ-QJPTWQEYSA-N 3 2 239.363 0.224 20 0 BCADLP COC(=O)C1=CC[C@H]([NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC000925723595 634473205 /nfs/dbraw/zinc/47/32/05/634473205.db2.gz RSELIQXUGOHNIH-QWRGUYRKSA-N 2 2 238.331 0.978 20 0 BCADLP C[C@H]([NH2+][C@H]1CNOC1)c1c[nH+]ccc1N ZINC000925865198 635565563 /nfs/dbraw/zinc/56/55/63/635565563.db2.gz DRKPOMVDDWNBLY-YUMQZZPRSA-N 2 2 208.265 0.048 20 0 BCADLP COC[C@H]1COCC[N@@H+]1CCn1cc[nH+]c1C ZINC000933330923 631263768 /nfs/dbraw/zinc/26/37/68/631263768.db2.gz KGMXRIGRSDJXCO-LBPRGKRZSA-N 2 2 239.319 0.539 20 0 BCADLP COC[C@H]1COCC[N@H+]1CCn1cc[nH+]c1C ZINC000933330923 631263774 /nfs/dbraw/zinc/26/37/74/631263774.db2.gz KGMXRIGRSDJXCO-LBPRGKRZSA-N 2 2 239.319 0.539 20 0 BCADLP Cn1c[nH+]cc1CNc1cc[nH+]cc1CO ZINC000893902421 635636278 /nfs/dbraw/zinc/63/62/78/635636278.db2.gz YHXNSINXJXQXAD-UHFFFAOYSA-N 2 2 218.260 0.341 20 0 BCADLP CC1(C)CNC(=O)[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000926448713 632064429 /nfs/dbraw/zinc/06/44/29/632064429.db2.gz AVWJQOAYZIERGL-LDYMZIIASA-N 2 2 248.330 0.381 20 0 BCADLP C[C@H]1C[C@H]([NH2+]C[C@H](O)C(F)(F)F)CC[N@@H+]1C ZINC000155864771 632116852 /nfs/dbraw/zinc/11/68/52/632116852.db2.gz IBYJUUMRZORNSY-YIZRAAEISA-N 2 2 240.269 0.982 20 0 BCADLP C[C@H]1C[C@H]([NH2+]C[C@H](O)C(F)(F)F)CC[N@H+]1C ZINC000155864771 632116858 /nfs/dbraw/zinc/11/68/58/632116858.db2.gz IBYJUUMRZORNSY-YIZRAAEISA-N 2 2 240.269 0.982 20 0 BCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000309992279 632692112 /nfs/dbraw/zinc/69/21/12/632692112.db2.gz MBFXSRYHCOYFGP-BETUJISGSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000309992279 632692117 /nfs/dbraw/zinc/69/21/17/632692117.db2.gz MBFXSRYHCOYFGP-BETUJISGSA-N 2 2 241.379 0.343 20 0 BCADLP O[C@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)C(F)(F)F ZINC000309300237 632910253 /nfs/dbraw/zinc/91/02/53/632910253.db2.gz SXJSDHKOHSBLLF-IWSPIJDZSA-N 2 2 238.253 0.593 20 0 BCADLP O[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)C(F)(F)F ZINC000309300237 632910258 /nfs/dbraw/zinc/91/02/58/632910258.db2.gz SXJSDHKOHSBLLF-IWSPIJDZSA-N 2 2 238.253 0.593 20 0 BCADLP C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000928557018 636095628 /nfs/dbraw/zinc/09/56/28/636095628.db2.gz YFYLCJXOGNPPIB-QWRGUYRKSA-N 2 2 239.363 0.680 20 0 BCADLP C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000928557018 636095632 /nfs/dbraw/zinc/09/56/32/636095632.db2.gz YFYLCJXOGNPPIB-QWRGUYRKSA-N 2 2 239.363 0.680 20 0 BCADLP C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000928557018 636095635 /nfs/dbraw/zinc/09/56/35/636095635.db2.gz YFYLCJXOGNPPIB-QWRGUYRKSA-N 2 2 239.363 0.680 20 0 BCADLP C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000928557018 636095641 /nfs/dbraw/zinc/09/56/41/636095641.db2.gz YFYLCJXOGNPPIB-QWRGUYRKSA-N 2 2 239.363 0.680 20 0 BCADLP CC1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000928558860 636100646 /nfs/dbraw/zinc/10/06/46/636100646.db2.gz FLPUMMJRLGBNTQ-LBPRGKRZSA-N 2 2 239.363 0.539 20 0 BCADLP CC1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000928558860 636100649 /nfs/dbraw/zinc/10/06/49/636100649.db2.gz FLPUMMJRLGBNTQ-LBPRGKRZSA-N 2 2 239.363 0.539 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCO)C1 ZINC000328175231 633735141 /nfs/dbraw/zinc/73/51/41/633735141.db2.gz LBGKONCWLNKZHN-WDEREUQCSA-N 2 2 200.326 0.831 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCO)C1 ZINC000328175231 633735144 /nfs/dbraw/zinc/73/51/44/633735144.db2.gz LBGKONCWLNKZHN-WDEREUQCSA-N 2 2 200.326 0.831 20 0 BCADLP CNc1cc(N2CC[N@@H+]3CCOC[C@H]3C2)nc[nH+]1 ZINC000893160304 633856028 /nfs/dbraw/zinc/85/60/28/633856028.db2.gz UUTQFOUFEANOTB-SNVBAGLBSA-N 2 2 249.318 0.039 20 0 BCADLP CNc1cc(N2CC[N@H+]3CCOC[C@H]3C2)nc[nH+]1 ZINC000893160304 633856032 /nfs/dbraw/zinc/85/60/32/633856032.db2.gz UUTQFOUFEANOTB-SNVBAGLBSA-N 2 2 249.318 0.039 20 0 BCADLP COC(=O)CC(C)(C)[NH2+]CCn1cc[nH+]c1 ZINC000309970637 634001777 /nfs/dbraw/zinc/00/17/77/634001777.db2.gz PINNGNIYWBGTON-UHFFFAOYSA-N 2 2 225.292 0.814 20 0 BCADLP COC[C@H](CCO)[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925614058 634153386 /nfs/dbraw/zinc/15/33/86/634153386.db2.gz WVQSVVXVYCUWLT-UWVGGRQHSA-N 2 2 216.325 0.114 20 0 BCADLP COC[C@@H](CCO)[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925614060 634153438 /nfs/dbraw/zinc/15/34/38/634153438.db2.gz WVQSVVXVYCUWLT-ZJUUUORDSA-N 2 2 216.325 0.114 20 0 BCADLP COCCC1(C[NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925617731 634167745 /nfs/dbraw/zinc/16/77/45/634167745.db2.gz RKXWINAAQFRXEG-LLVKDONJSA-N 2 2 228.336 0.381 20 0 BCADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CCOC2)CCO1 ZINC000925617939 634172172 /nfs/dbraw/zinc/17/21/72/634172172.db2.gz YAVKHLXQUNUQKC-UPJWGTAASA-N 2 2 242.363 0.768 20 0 BCADLP C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925686362 634300389 /nfs/dbraw/zinc/30/03/89/634300389.db2.gz SBOURLJHESRAGN-YFKTTZPYSA-N 2 2 210.321 0.753 20 0 BCADLP Cc1[nH+]ccn1CCN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278186 634304164 /nfs/dbraw/zinc/30/41/64/634304164.db2.gz ZIXHCLBBTBXYBB-ITGUQSILSA-N 2 2 234.347 0.683 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC[NH2+]1 ZINC000925700754 634372193 /nfs/dbraw/zinc/37/21/93/634372193.db2.gz SLFWVTUWRCFDMQ-WISYIIOYSA-N 3 2 223.364 0.986 20 0 BCADLP C[C@@H]([NH3+])[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccccc1 ZINC000925702303 634376471 /nfs/dbraw/zinc/37/64/71/634376471.db2.gz NDPQEJCHJQSZFC-XEZLXBQYSA-N 2 2 247.342 0.928 20 0 BCADLP CN(C)c1cc(N2CCC(C[NH3+])CC2)nc[nH+]1 ZINC000258603185 635171864 /nfs/dbraw/zinc/17/18/64/635171864.db2.gz HPZDHJOEUXNDQX-UHFFFAOYSA-N 2 2 235.335 0.718 20 0 BCADLP CN(C)c1cc(N2CCC(C[NH3+])CC2)[nH+]cn1 ZINC000258603185 635171872 /nfs/dbraw/zinc/17/18/72/635171872.db2.gz HPZDHJOEUXNDQX-UHFFFAOYSA-N 2 2 235.335 0.718 20 0 BCADLP C[C@H](Cc1cnccn1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925783248 635290831 /nfs/dbraw/zinc/29/08/31/635290831.db2.gz JKXPWXMVSGVWRY-CKYFFXLPSA-N 2 2 220.320 0.605 20 0 BCADLP CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC000987266377 636644501 /nfs/dbraw/zinc/64/45/01/636644501.db2.gz JYCSDKGGTOPACY-VHSXEESVSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@@H](CO)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925278902 636702773 /nfs/dbraw/zinc/70/27/73/636702773.db2.gz IEXAJZRIPZNLJM-TUAOUCFPSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@@H](CO)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925278902 636702789 /nfs/dbraw/zinc/70/27/89/636702789.db2.gz IEXAJZRIPZNLJM-TUAOUCFPSA-N 2 2 212.337 0.974 20 0 BCADLP CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000989610908 636866551 /nfs/dbraw/zinc/86/65/51/636866551.db2.gz FZWBZNUHXUVSQG-UWVGGRQHSA-N 2 2 236.319 0.551 20 0 BCADLP CCOC[C@H](C)[NH2+]C[C@H](C[NH+](C)C)OCC ZINC000926959327 636971206 /nfs/dbraw/zinc/97/12/06/636971206.db2.gz AXSBXXVYXDPSCO-NWDGAFQWSA-N 2 2 232.368 0.968 20 0 BCADLP CN(CC[NH+](C)C)C(=O)CNc1cccc[nH+]1 ZINC000900927272 637212119 /nfs/dbraw/zinc/21/21/19/637212119.db2.gz LKSAJMWRHPSODB-UHFFFAOYSA-N 2 2 236.319 0.514 20 0 BCADLP CC[NH+]1CCC([NH2+][C@@H]2CCN(C)C2)CC1 ZINC000042543897 637280305 /nfs/dbraw/zinc/28/03/05/637280305.db2.gz SCLIBCJPGXYPDB-GFCCVEGCSA-N 2 2 211.353 0.764 20 0 BCADLP Cc1cc(C)[nH+]c(CN2CCC[C@@]([NH3+])(CO)C2)c1 ZINC000903789650 637384019 /nfs/dbraw/zinc/38/40/19/637384019.db2.gz YWXCFFZBKWBMHS-AWEZNQCLSA-N 2 2 249.358 0.984 20 0 BCADLP Cc1ccc(O)c(C[NH2+]CC2([NH3+])CC2)n1 ZINC000904449759 637413745 /nfs/dbraw/zinc/41/37/45/637413745.db2.gz MJNJETKGQUPQCI-UHFFFAOYSA-N 2 2 207.277 0.677 20 0 BCADLP COCCn1cc(C[NH2+]CC2([NH3+])CC2)cn1 ZINC000904451400 637417030 /nfs/dbraw/zinc/41/70/30/637417030.db2.gz YFKINGLKMJJIEW-UHFFFAOYSA-N 2 2 224.308 0.110 20 0 BCADLP CC[N@H+](CC[NH2+]C(C)(C)C)CCC(=O)NC ZINC000904470274 637423693 /nfs/dbraw/zinc/42/36/93/637423693.db2.gz WNRXGUYECZNSBL-UHFFFAOYSA-N 2 2 229.368 0.833 20 0 BCADLP CC[N@@H+](CC[NH2+]C(C)(C)C)CCC(=O)NC ZINC000904470274 637423698 /nfs/dbraw/zinc/42/36/98/637423698.db2.gz WNRXGUYECZNSBL-UHFFFAOYSA-N 2 2 229.368 0.833 20 0 BCADLP CC1CCN(C(=[NH2+])NC[C@H]2CC[N@@H+]2C)CC1 ZINC000905032577 637554059 /nfs/dbraw/zinc/55/40/59/637554059.db2.gz RJZRPHPLYWXFCK-LLVKDONJSA-N 2 2 224.352 0.947 20 0 BCADLP CC1CCN(C(=[NH2+])NC[C@H]2CC[N@H+]2C)CC1 ZINC000905032577 637554065 /nfs/dbraw/zinc/55/40/65/637554065.db2.gz RJZRPHPLYWXFCK-LLVKDONJSA-N 2 2 224.352 0.947 20 0 BCADLP O[C@@H](C[NH2+]CCn1cc[nH+]c1)C1(O)CCCC1 ZINC000905036297 637557551 /nfs/dbraw/zinc/55/75/51/637557551.db2.gz QSHHZMACAOGGOC-NSHDSACASA-N 2 2 239.319 0.139 20 0 BCADLP [NH3+][C@@H](CC1CC1)c1nc(C2([NH3+])CC2)no1 ZINC000905328520 637741917 /nfs/dbraw/zinc/74/19/17/637741917.db2.gz BHHYEKMXQFRFCQ-ZETCQYMHSA-N 2 2 208.265 0.817 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000906095815 638052517 /nfs/dbraw/zinc/05/25/17/638052517.db2.gz ZLPYKNNXBSETET-SFYZADRCSA-N 2 2 237.307 0.749 20 0 BCADLP COc1c(N)nc[nH+]c1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000906095815 638052525 /nfs/dbraw/zinc/05/25/25/638052525.db2.gz ZLPYKNNXBSETET-SFYZADRCSA-N 2 2 237.307 0.749 20 0 BCADLP CN(C)c1cc(N(C)[C@H](C[NH3+])C2CC2)nc[nH+]1 ZINC000906095259 638052755 /nfs/dbraw/zinc/05/27/55/638052755.db2.gz WJCOKHHMJYNKHG-SNVBAGLBSA-N 2 2 235.335 0.716 20 0 BCADLP Cn1ncc(Cl)c1C[NH2+]C1CC([NH3+])C1 ZINC000906509902 638181606 /nfs/dbraw/zinc/18/16/06/638181606.db2.gz ARSUCTZOOBXAON-UHFFFAOYSA-N 2 2 214.700 0.653 20 0 BCADLP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000906517591 638188606 /nfs/dbraw/zinc/18/86/06/638188606.db2.gz IBJBOIAAYDHPEH-NJMOYASZSA-N 3 2 223.364 0.986 20 0 BCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cc1c[nH+]c[nH]1 ZINC000911200475 639595919 /nfs/dbraw/zinc/59/59/19/639595919.db2.gz KBPBILOXLVPJPY-NSHDSACASA-N 2 2 236.319 0.505 20 0 BCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)Cc1c[nH+]c[nH]1 ZINC000911200475 639595924 /nfs/dbraw/zinc/59/59/24/639595924.db2.gz KBPBILOXLVPJPY-NSHDSACASA-N 2 2 236.319 0.505 20 0 BCADLP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911674555 639714912 /nfs/dbraw/zinc/71/49/12/639714912.db2.gz UONNHXAVPCVZDU-MNOVXSKESA-N 2 2 248.330 0.314 20 0 BCADLP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000911674556 639715486 /nfs/dbraw/zinc/71/54/86/639715486.db2.gz UONNHXAVPCVZDU-QWRGUYRKSA-N 2 2 248.330 0.314 20 0 BCADLP C[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000911735891 639762782 /nfs/dbraw/zinc/76/27/82/639762782.db2.gz FGCSFVGUDGPCCU-VIFPVBQESA-N 2 2 222.292 0.163 20 0 BCADLP C[C@H]([NH3+])C1CCN(C(=O)C[C@H]([NH3+])C(F)F)CC1 ZINC000911753038 639782692 /nfs/dbraw/zinc/78/26/92/639782692.db2.gz HZRCCMMEQPZYFF-CBAPKCEASA-N 2 2 249.305 0.555 20 0 BCADLP [NH3+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000911731952 639786101 /nfs/dbraw/zinc/78/61/01/639786101.db2.gz ZWJDDZJGKDQABH-UWVGGRQHSA-N 2 2 234.303 0.005 20 0 BCADLP CC(C)(C[NH3+])NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911763290 639787995 /nfs/dbraw/zinc/78/79/95/639787995.db2.gz VJWNVUSZTFGKRF-SECBINFHSA-N 2 2 236.319 0.299 20 0 BCADLP CC(C)(C[NH3+])NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000911763291 639789454 /nfs/dbraw/zinc/78/94/54/639789454.db2.gz VJWNVUSZTFGKRF-VIFPVBQESA-N 2 2 236.319 0.299 20 0 BCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(C)C[NH3+] ZINC000911761813 639802615 /nfs/dbraw/zinc/80/26/15/639802615.db2.gz IMBOSBOELRQTMR-QMMMGPOBSA-N 2 2 224.308 0.442 20 0 BCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(C)C[NH3+] ZINC000911761813 639802620 /nfs/dbraw/zinc/80/26/20/639802620.db2.gz IMBOSBOELRQTMR-QMMMGPOBSA-N 2 2 224.308 0.442 20 0 BCADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[NH2+]C1 ZINC000911789257 639807357 /nfs/dbraw/zinc/80/73/57/639807357.db2.gz UOCHMOJOTSZUEZ-SNVBAGLBSA-N 2 2 244.298 0.997 20 0 BCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H](C)[NH2+]1 ZINC000911797594 639819333 /nfs/dbraw/zinc/81/93/33/639819333.db2.gz SNWUXJOQUVSVGO-RKDXNWHRSA-N 2 2 222.292 0.161 20 0 BCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC[NH2+]1 ZINC000911801584 639822382 /nfs/dbraw/zinc/82/23/82/639822382.db2.gz CXJRGBCNVRYLSM-MNOVXSKESA-N 2 2 248.330 0.266 20 0 BCADLP C[C@@](C[NH3+])(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000911803197 639825627 /nfs/dbraw/zinc/82/56/27/639825627.db2.gz PTXFFWCGZBGGRF-NSHDSACASA-N 2 2 222.292 0.196 20 0 BCADLP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000911810554 639832416 /nfs/dbraw/zinc/83/24/16/639832416.db2.gz NFWGWTYOBDUOIF-IVZWLZJFSA-N 2 2 236.319 0.329 20 0 BCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000911810546 639832833 /nfs/dbraw/zinc/83/28/33/639832833.db2.gz NDUZXGCSHCNJDR-IUCAKERBSA-N 2 2 224.308 0.394 20 0 BCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000911810546 639832835 /nfs/dbraw/zinc/83/28/35/639832835.db2.gz NDUZXGCSHCNJDR-IUCAKERBSA-N 2 2 224.308 0.394 20 0 BCADLP C[C@H](C[NH3+])N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000911810545 639833182 /nfs/dbraw/zinc/83/31/82/639833182.db2.gz NDUZXGCSHCNJDR-DTWKUNHWSA-N 2 2 224.308 0.394 20 0 BCADLP C[C@H](C[NH3+])N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000911810545 639833185 /nfs/dbraw/zinc/83/31/85/639833185.db2.gz NDUZXGCSHCNJDR-DTWKUNHWSA-N 2 2 224.308 0.394 20 0 BCADLP CC(C)[C@@H]([NH3+])CNC(=O)C[C@H]([NH3+])C(F)F ZINC000911823905 639838057 /nfs/dbraw/zinc/83/80/57/639838057.db2.gz AZBJGOGDMXXODW-BQBZGAKWSA-N 2 2 223.267 0.068 20 0 BCADLP CCO[C@@H]1COC[C@H]1[NH2+]Cc1[nH]c(C)[nH+]c1C ZINC000930660785 639850502 /nfs/dbraw/zinc/85/05/02/639850502.db2.gz PVBHAWJLRWOYEE-VXGBXAGGSA-N 2 2 239.319 0.920 20 0 BCADLP CC1(C)C[NH2+]CCN1C(=O)C[C@H]([NH3+])C(F)F ZINC000911848876 639858396 /nfs/dbraw/zinc/85/83/96/639858396.db2.gz VXWSLXYCCBZYFE-ZETCQYMHSA-N 2 2 235.278 0.179 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911855045 639860423 /nfs/dbraw/zinc/86/04/23/639860423.db2.gz DNQBNEBRGBXYOF-ZJUUUORDSA-N 2 2 234.303 0.305 20 0 BCADLP C[C@H]1[C@H]([NH+](C)C)CCN1CCn1cc[nH+]c1 ZINC000931040559 640037108 /nfs/dbraw/zinc/03/71/08/640037108.db2.gz FDBQMDAAFMNNOF-NWDGAFQWSA-N 2 2 222.336 0.908 20 0 BCADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC000912388926 640048729 /nfs/dbraw/zinc/04/87/29/640048729.db2.gz ZTSZHZOFBUAQJT-VIFPVBQESA-N 2 2 224.308 0.409 20 0 BCADLP CSC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278398 640129305 /nfs/dbraw/zinc/12/93/05/640129305.db2.gz BMAFHEDEYFPJMZ-UKKRHICBSA-N 2 2 230.377 0.202 20 0 BCADLP CSC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278398 640129311 /nfs/dbraw/zinc/12/93/11/640129311.db2.gz BMAFHEDEYFPJMZ-UKKRHICBSA-N 2 2 230.377 0.202 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)CC(C)(C)O)C[C@H]21 ZINC000931277268 640130808 /nfs/dbraw/zinc/13/08/08/640130808.db2.gz NNGBCRZPXGJFOR-WYUUTHIRSA-N 2 2 242.363 0.000 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)CC(C)(C)O)C[C@H]21 ZINC000931277268 640130811 /nfs/dbraw/zinc/13/08/11/640130811.db2.gz NNGBCRZPXGJFOR-WYUUTHIRSA-N 2 2 242.363 0.000 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280680 640133159 /nfs/dbraw/zinc/13/31/59/640133159.db2.gz IVLSFRFUBIANHW-PJXYFTJBSA-N 2 2 239.363 0.347 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280680 640133165 /nfs/dbraw/zinc/13/31/65/640133165.db2.gz IVLSFRFUBIANHW-PJXYFTJBSA-N 2 2 239.363 0.347 20 0 BCADLP C[NH+]1C[C@]2(C)C[NH+]([C@H]3CCNC3=O)C[C@@]2(C)C1 ZINC000931310747 640145881 /nfs/dbraw/zinc/14/58/81/640145881.db2.gz MUEYSTZJWCWKBG-CYZMBNFOSA-N 2 2 237.347 0.149 20 0 BCADLP C[N@@H+]1C[C@]2(C)C[NH+]([C@H]3CCNC3=O)C[C@]2(C)C1 ZINC000931310750 640146562 /nfs/dbraw/zinc/14/65/62/640146562.db2.gz MUEYSTZJWCWKBG-WCFLWFBJSA-N 2 2 237.347 0.149 20 0 BCADLP C[N@H+]1C[C@]2(C)C[NH+]([C@H]3CCNC3=O)C[C@]2(C)C1 ZINC000931310750 640146569 /nfs/dbraw/zinc/14/65/69/640146569.db2.gz MUEYSTZJWCWKBG-WCFLWFBJSA-N 2 2 237.347 0.149 20 0 BCADLP C[NH+]1C[C@]2(C)C[N@@H+]([C@H]3CCNC3=O)C[C@]2(C)C1 ZINC000931310750 640146576 /nfs/dbraw/zinc/14/65/76/640146576.db2.gz MUEYSTZJWCWKBG-WCFLWFBJSA-N 2 2 237.347 0.149 20 0 BCADLP C[NH+]1C[C@]2(C)C[N@H+]([C@H]3CCNC3=O)C[C@]2(C)C1 ZINC000931310750 640146581 /nfs/dbraw/zinc/14/65/81/640146581.db2.gz MUEYSTZJWCWKBG-WCFLWFBJSA-N 2 2 237.347 0.149 20 0 BCADLP CN(C)C(=O)CC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931510538 640243375 /nfs/dbraw/zinc/24/33/75/640243375.db2.gz FTWUDZBWOKTVCR-UHFFFAOYSA-N 2 2 248.330 0.500 20 0 BCADLP CN(C)C(=O)CC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931510538 640243381 /nfs/dbraw/zinc/24/33/81/640243381.db2.gz FTWUDZBWOKTVCR-UHFFFAOYSA-N 2 2 248.330 0.500 20 0 BCADLP c1cn2c([nH+]1)N(CC[N@H+]1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC000931521949 640252096 /nfs/dbraw/zinc/25/20/96/640252096.db2.gz SCCBOCYGJAEOGA-TXEJJXNPSA-N 2 2 248.330 0.566 20 0 BCADLP c1cn2c([nH+]1)N(CC[N@@H+]1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC000931521949 640252104 /nfs/dbraw/zinc/25/21/04/640252104.db2.gz SCCBOCYGJAEOGA-TXEJJXNPSA-N 2 2 248.330 0.566 20 0 BCADLP CC[C@@H](CO)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719735 640338521 /nfs/dbraw/zinc/33/85/21/640338521.db2.gz MNQIZGZNRRMXKK-TUAOUCFPSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@@H](CO)[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719735 640338523 /nfs/dbraw/zinc/33/85/23/640338523.db2.gz MNQIZGZNRRMXKK-TUAOUCFPSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@@H](CO)[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931719735 640338527 /nfs/dbraw/zinc/33/85/27/640338527.db2.gz MNQIZGZNRRMXKK-TUAOUCFPSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@@H](CO)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931719735 640338532 /nfs/dbraw/zinc/33/85/32/640338532.db2.gz MNQIZGZNRRMXKK-TUAOUCFPSA-N 2 2 212.337 0.926 20 0 BCADLP C[NH+]1CCC(C[NH2+]Cc2ccn[nH]2)CC1 ZINC000044516402 640399667 /nfs/dbraw/zinc/39/96/67/640399667.db2.gz QTERWOMSFIWBGJ-UHFFFAOYSA-N 2 2 208.309 0.841 20 0 BCADLP c1ncc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)[nH]1 ZINC000054764993 640405214 /nfs/dbraw/zinc/40/52/14/640405214.db2.gz KYVHDTCRDDVSNF-JTQLQIEISA-N 2 2 220.320 0.984 20 0 BCADLP c1ncc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)[nH]1 ZINC000054764993 640405219 /nfs/dbraw/zinc/40/52/19/640405219.db2.gz KYVHDTCRDDVSNF-JTQLQIEISA-N 2 2 220.320 0.984 20 0 BCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC)C1 ZINC001030400814 640822383 /nfs/dbraw/zinc/82/23/83/640822383.db2.gz GTZCLWXMKOUPHL-LBPRGKRZSA-N 2 2 239.363 0.681 20 0 BCADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC)C1 ZINC001030400814 640822386 /nfs/dbraw/zinc/82/23/86/640822386.db2.gz GTZCLWXMKOUPHL-LBPRGKRZSA-N 2 2 239.363 0.681 20 0 BCADLP CCOC[C@@H](O)C[N@H+]1CCC[C@@H]1C[NH2+]C ZINC000227728894 640846646 /nfs/dbraw/zinc/84/66/46/640846646.db2.gz JYWKXTBBDWCCDW-MNOVXSKESA-N 2 2 216.325 0.068 20 0 BCADLP CCOC[C@@H](O)C[N@@H+]1CCC[C@@H]1C[NH2+]C ZINC000227728894 640846643 /nfs/dbraw/zinc/84/66/43/640846643.db2.gz JYWKXTBBDWCCDW-MNOVXSKESA-N 2 2 216.325 0.068 20 0 BCADLP CCOC(=O)/C=C/C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000087638877 640951016 /nfs/dbraw/zinc/95/10/16/640951016.db2.gz GBZVQMFMKBUMRG-SEUFLZDSSA-N 2 2 224.304 0.257 20 0 BCADLP CNC(=O)[C@H]1CCC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000232298214 641264106 /nfs/dbraw/zinc/26/41/06/641264106.db2.gz BAQYJILVNXBBRP-NSHDSACASA-N 2 2 241.379 0.833 20 0 BCADLP CNC(=O)[C@H]1CCC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000232298214 641264112 /nfs/dbraw/zinc/26/41/12/641264112.db2.gz BAQYJILVNXBBRP-NSHDSACASA-N 2 2 241.379 0.833 20 0 BCADLP CCC[NH+]1CC(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001030956982 641520739 /nfs/dbraw/zinc/52/07/39/641520739.db2.gz QTEKROZOJGIIQU-LLVKDONJSA-N 2 2 239.363 0.681 20 0 BCADLP CCC[NH+]1CC(NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001030956982 641520745 /nfs/dbraw/zinc/52/07/45/641520745.db2.gz QTEKROZOJGIIQU-LLVKDONJSA-N 2 2 239.363 0.681 20 0 BCADLP CCC[NH+]1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001030958904 641525898 /nfs/dbraw/zinc/52/58/98/641525898.db2.gz VXIPSDNUMSVTBL-NSHDSACASA-N 2 2 239.363 0.539 20 0 BCADLP CCC[NH+]1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001030958904 641525900 /nfs/dbraw/zinc/52/59/00/641525900.db2.gz VXIPSDNUMSVTBL-NSHDSACASA-N 2 2 239.363 0.539 20 0 BCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(F)nc1 ZINC000189167139 641790628 /nfs/dbraw/zinc/79/06/28/641790628.db2.gz PFXPZZZQOWYJPF-GFCCVEGCSA-N 2 2 241.310 0.623 20 0 BCADLP CC[NH+]1CC(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001031431074 642135670 /nfs/dbraw/zinc/13/56/70/642135670.db2.gz BQHNALCULQAYEJ-GHMZBOCLSA-N 2 2 239.363 0.680 20 0 BCADLP CC[N@H+](CC[NH3+])C[C@H](O)CC(F)(F)F ZINC000307934336 642350347 /nfs/dbraw/zinc/35/03/47/642350347.db2.gz GAAQYTYGYUXSSK-SSDOTTSWSA-N 2 2 214.231 0.580 20 0 BCADLP CC[N@@H+](CC[NH3+])C[C@H](O)CC(F)(F)F ZINC000307934336 642350359 /nfs/dbraw/zinc/35/03/59/642350359.db2.gz GAAQYTYGYUXSSK-SSDOTTSWSA-N 2 2 214.231 0.580 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)C[C@H](O)CC(F)(F)F ZINC000307935427 642351007 /nfs/dbraw/zinc/35/10/07/642351007.db2.gz HJSJBGOEXBIKDT-RNFRBKRXSA-N 2 2 214.231 0.579 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)C[C@H](O)CC(F)(F)F ZINC000307935427 642351013 /nfs/dbraw/zinc/35/10/13/642351013.db2.gz HJSJBGOEXBIKDT-RNFRBKRXSA-N 2 2 214.231 0.579 20 0 BCADLP CC[N@H+](CC[NH3+])C[C@@H](O)CC(F)(F)F ZINC000307934338 642351312 /nfs/dbraw/zinc/35/13/12/642351312.db2.gz GAAQYTYGYUXSSK-ZETCQYMHSA-N 2 2 214.231 0.580 20 0 BCADLP CC[N@@H+](CC[NH3+])C[C@@H](O)CC(F)(F)F ZINC000307934338 642351324 /nfs/dbraw/zinc/35/13/24/642351324.db2.gz GAAQYTYGYUXSSK-ZETCQYMHSA-N 2 2 214.231 0.580 20 0 BCADLP CC[NH2+]CC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000962360583 642726066 /nfs/dbraw/zinc/72/60/66/642726066.db2.gz UVFGRYYRFIQMBA-UHFFFAOYSA-N 2 2 236.319 0.457 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](C/C=C/Cl)CCCO1 ZINC000306182192 642730042 /nfs/dbraw/zinc/73/00/42/642730042.db2.gz WRZDTRFDJMCPPK-FAIQTLDISA-N 2 2 204.701 0.789 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](C/C=C/Cl)CCCO1 ZINC000306182192 642730047 /nfs/dbraw/zinc/73/00/47/642730047.db2.gz WRZDTRFDJMCPPK-FAIQTLDISA-N 2 2 204.701 0.789 20 0 BCADLP CCC[N@H+](C[C@@H](O)COC)[C@@H]1CC[NH2+]C1 ZINC000068892353 642806610 /nfs/dbraw/zinc/80/66/10/642806610.db2.gz ZBVJDNOIOVAXMP-GHMZBOCLSA-N 2 2 216.325 0.068 20 0 BCADLP CCC[N@@H+](C[C@@H](O)COC)[C@@H]1CC[NH2+]C1 ZINC000068892353 642806612 /nfs/dbraw/zinc/80/66/12/642806612.db2.gz ZBVJDNOIOVAXMP-GHMZBOCLSA-N 2 2 216.325 0.068 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)C2)CC[N@@H+]1C ZINC000252208576 642887521 /nfs/dbraw/zinc/88/75/21/642887521.db2.gz XPPADZHVTXIMON-UTUOFQBUSA-N 2 2 211.353 0.763 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)C2)CC[N@H+]1C ZINC000252208576 642887523 /nfs/dbraw/zinc/88/75/23/642887523.db2.gz XPPADZHVTXIMON-UTUOFQBUSA-N 2 2 211.353 0.763 20 0 BCADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCF)C1 ZINC001016250470 642953476 /nfs/dbraw/zinc/95/34/76/642953476.db2.gz CPIREDNJRMEXMZ-NSHDSACASA-N 2 2 243.326 0.242 20 0 BCADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](CCF)C1 ZINC001016250470 642953479 /nfs/dbraw/zinc/95/34/79/642953479.db2.gz CPIREDNJRMEXMZ-NSHDSACASA-N 2 2 243.326 0.242 20 0 BCADLP CC(C)[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001019566173 643039467 /nfs/dbraw/zinc/03/94/67/643039467.db2.gz VNZJFMZMABESGO-JTQLQIEISA-N 2 2 236.319 0.551 20 0 BCADLP O[C@H](C[NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC000070883965 643077213 /nfs/dbraw/zinc/07/72/13/643077213.db2.gz ZUFKWTGNBGROND-LLVKDONJSA-N 2 2 209.293 0.634 20 0 BCADLP CC[NH+](CC)CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000082667116 643362754 /nfs/dbraw/zinc/36/27/54/643362754.db2.gz MALXZGWKHNYIFL-NSHDSACASA-N 2 2 227.352 0.587 20 0 BCADLP CC(C)[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000970340365 643417383 /nfs/dbraw/zinc/41/73/83/643417383.db2.gz VNZJFMZMABESGO-SNVBAGLBSA-N 2 2 236.319 0.551 20 0 BCADLP CCOC[C@H](O)C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000068953523 643436922 /nfs/dbraw/zinc/43/69/22/643436922.db2.gz FNRNATYARNXADZ-GHMZBOCLSA-N 2 2 216.325 0.197 20 0 BCADLP CCOC[C@H](O)C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000068953523 643436925 /nfs/dbraw/zinc/43/69/25/643436925.db2.gz FNRNATYARNXADZ-GHMZBOCLSA-N 2 2 216.325 0.197 20 0 BCADLP CCOC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000068953524 643437207 /nfs/dbraw/zinc/43/72/07/643437207.db2.gz FNRNATYARNXADZ-MNOVXSKESA-N 2 2 216.325 0.197 20 0 BCADLP CCOC[C@@H](O)C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000068953524 643437210 /nfs/dbraw/zinc/43/72/10/643437210.db2.gz FNRNATYARNXADZ-MNOVXSKESA-N 2 2 216.325 0.197 20 0 BCADLP CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000970576644 643465879 /nfs/dbraw/zinc/46/58/79/643465879.db2.gz CJHWNRGJIZULJM-SNVBAGLBSA-N 2 2 236.319 0.471 20 0 BCADLP CC[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000997040631 643575210 /nfs/dbraw/zinc/57/52/10/643575210.db2.gz HUGZUPSXTMAEOK-UHFFFAOYSA-N 2 2 236.319 0.553 20 0 BCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2)C1 ZINC000050247042 643662659 /nfs/dbraw/zinc/66/26/59/643662659.db2.gz IMJHUJUOJFQBBT-NSHDSACASA-N 2 2 233.315 0.906 20 0 BCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC000050247042 643662666 /nfs/dbraw/zinc/66/26/66/643662666.db2.gz IMJHUJUOJFQBBT-NSHDSACASA-N 2 2 233.315 0.906 20 0 BCADLP FCCn1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000929313270 644073054 /nfs/dbraw/zinc/07/30/54/644073054.db2.gz TWZROXURJWZMOY-RYUDHWBXSA-N 2 2 238.310 0.504 20 0 BCADLP CCOCC[C@H](O)C[N@H+](C)[C@H](C)C[NH3+] ZINC000923289275 644323688 /nfs/dbraw/zinc/32/36/88/644323688.db2.gz GLWSGFGFXXXLHS-ZJUUUORDSA-N 2 2 204.314 0.053 20 0 BCADLP CCOCC[C@H](O)C[N@@H+](C)[C@H](C)C[NH3+] ZINC000923289275 644323691 /nfs/dbraw/zinc/32/36/91/644323691.db2.gz GLWSGFGFXXXLHS-ZJUUUORDSA-N 2 2 204.314 0.053 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923280980 644315167 /nfs/dbraw/zinc/31/51/67/644315167.db2.gz MRSRCHYWLLBBEP-LLVKDONJSA-N 3 2 211.353 0.799 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923280980 644315181 /nfs/dbraw/zinc/31/51/81/644315181.db2.gz MRSRCHYWLLBBEP-LLVKDONJSA-N 3 2 211.353 0.799 20 0 BCADLP CCC[N@H+](C[C@@H](O)CCOCC)[C@@H]1CC[NH2+]C1 ZINC000923288101 644320370 /nfs/dbraw/zinc/32/03/70/644320370.db2.gz XKCMGZFMEZDJIV-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP CCC[N@@H+](C[C@@H](O)CCOCC)[C@@H]1CC[NH2+]C1 ZINC000923288101 644320376 /nfs/dbraw/zinc/32/03/76/644320376.db2.gz XKCMGZFMEZDJIV-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H](O)CSC ZINC000923294860 644333648 /nfs/dbraw/zinc/33/36/48/644333648.db2.gz PFJFDUTXDPYVAI-NXEZZACHSA-N 2 2 218.366 0.394 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H](O)CSC ZINC000923294860 644333653 /nfs/dbraw/zinc/33/36/53/644333653.db2.gz PFJFDUTXDPYVAI-NXEZZACHSA-N 2 2 218.366 0.394 20 0 BCADLP [NH3+]C1(C[NH2+]C[C@@H](O)C(F)(F)F)CCC1 ZINC000923332008 644360420 /nfs/dbraw/zinc/36/04/20/644360420.db2.gz KNJDVKOAVYCAGR-ZCFIWIBFSA-N 2 2 212.215 0.381 20 0 BCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000923364945 644374635 /nfs/dbraw/zinc/37/46/35/644374635.db2.gz AZZQGQZSLHZRHO-UTUOFQBUSA-N 2 2 230.352 0.299 20 0 BCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000923364945 644374638 /nfs/dbraw/zinc/37/46/38/644374638.db2.gz AZZQGQZSLHZRHO-UTUOFQBUSA-N 2 2 230.352 0.299 20 0 BCADLP C[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1[NH3+] ZINC000923365539 644374780 /nfs/dbraw/zinc/37/47/80/644374780.db2.gz FSFPQLQTAVHQPU-MRVWCRGKSA-N 2 2 234.343 0.869 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]1[NH3+] ZINC000923365539 644374783 /nfs/dbraw/zinc/37/47/83/644374783.db2.gz FSFPQLQTAVHQPU-MRVWCRGKSA-N 2 2 234.343 0.869 20 0 BCADLP CSC[C@H](O)C[N@H+](C)C1(C[NH3+])CCC1 ZINC000923362945 644390156 /nfs/dbraw/zinc/39/01/56/644390156.db2.gz RCFKGUKPEDJKTN-SECBINFHSA-N 2 2 218.366 0.524 20 0 BCADLP CSC[C@H](O)C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000923362945 644390160 /nfs/dbraw/zinc/39/01/60/644390160.db2.gz RCFKGUKPEDJKTN-SECBINFHSA-N 2 2 218.366 0.524 20 0 BCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000923383302 644393820 /nfs/dbraw/zinc/39/38/20/644393820.db2.gz YNEBBPURKQBHHQ-PRJMDXOYSA-N 2 2 226.242 0.769 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923393457 644402102 /nfs/dbraw/zinc/40/21/02/644402102.db2.gz QWLUHSJGCOTODA-GHMZBOCLSA-N 3 2 211.353 0.940 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC[NH2+]C1CC1 ZINC000923393457 644402106 /nfs/dbraw/zinc/40/21/06/644402106.db2.gz QWLUHSJGCOTODA-GHMZBOCLSA-N 3 2 211.353 0.940 20 0 BCADLP CCOCCOCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000923398320 644404161 /nfs/dbraw/zinc/40/41/61/644404161.db2.gz KQEJMVDAMGYULU-OLZOCXBDSA-N 2 2 242.363 0.853 20 0 BCADLP CCOCCOCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000923398320 644404165 /nfs/dbraw/zinc/40/41/65/644404165.db2.gz KQEJMVDAMGYULU-OLZOCXBDSA-N 2 2 242.363 0.853 20 0 BCADLP CSC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923399365 644404265 /nfs/dbraw/zinc/40/42/65/644404265.db2.gz OVCZTZOMVDLTLM-NXEZZACHSA-N 2 2 230.377 0.585 20 0 BCADLP CCOCCOCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923399094 644405200 /nfs/dbraw/zinc/40/52/00/644405200.db2.gz NYCUUDZYTSUCQC-LBPRGKRZSA-N 2 2 242.363 0.914 20 0 BCADLP CC[N@H+](CC[NH3+])C[C@@H](O)COCC(C)C ZINC000923402515 644406707 /nfs/dbraw/zinc/40/67/07/644406707.db2.gz XECCEEXPBZBBFG-LLVKDONJSA-N 2 2 218.341 0.301 20 0 BCADLP CC[N@@H+](CC[NH3+])C[C@@H](O)COCC(C)C ZINC000923402515 644406711 /nfs/dbraw/zinc/40/67/11/644406711.db2.gz XECCEEXPBZBBFG-LLVKDONJSA-N 2 2 218.341 0.301 20 0 BCADLP CC(C)OC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923400086 644407536 /nfs/dbraw/zinc/40/75/36/644407536.db2.gz UTCYSJUKWQDEEU-NWDGAFQWSA-N 2 2 242.363 0.647 20 0 BCADLP CC(C)COC[C@H](O)C[N@H+](C)C[C@@H](C)[NH3+] ZINC000923408143 644409514 /nfs/dbraw/zinc/40/95/14/644409514.db2.gz AHAJUJSTJHLMKT-GHMZBOCLSA-N 2 2 218.341 0.299 20 0 BCADLP CC(C)COC[C@H](O)C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000923408143 644409518 /nfs/dbraw/zinc/40/95/18/644409518.db2.gz AHAJUJSTJHLMKT-GHMZBOCLSA-N 2 2 218.341 0.299 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)C[C@H](O)COc1ccccc1 ZINC000923409684 644410226 /nfs/dbraw/zinc/41/02/26/644410226.db2.gz QXIAXNILAXXXMG-RYUDHWBXSA-N 2 2 238.331 0.705 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@H](O)COc1ccccc1 ZINC000923409684 644410235 /nfs/dbraw/zinc/41/02/35/644410235.db2.gz QXIAXNILAXXXMG-RYUDHWBXSA-N 2 2 238.331 0.705 20 0 BCADLP CC(C)OCC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000923412133 644415204 /nfs/dbraw/zinc/41/52/04/644415204.db2.gz HCJGDCCOGJLWSX-SRVKXCTJSA-N 2 2 230.352 0.584 20 0 BCADLP CC(C)OCC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000923412133 644415207 /nfs/dbraw/zinc/41/52/07/644415207.db2.gz HCJGDCCOGJLWSX-SRVKXCTJSA-N 2 2 230.352 0.584 20 0 BCADLP CSC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000923414459 644416504 /nfs/dbraw/zinc/41/65/04/644416504.db2.gz WQQFWUAEHJBHRQ-IWSPIJDZSA-N 2 2 204.339 0.132 20 0 BCADLP CSC[C@H](O)C[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000923414459 644416506 /nfs/dbraw/zinc/41/65/06/644416506.db2.gz WQQFWUAEHJBHRQ-IWSPIJDZSA-N 2 2 204.339 0.132 20 0 BCADLP CCOCC[C@@H](O)C[N@@H+]1CCCC[C@H]1C[NH2+]C ZINC000923430413 644422836 /nfs/dbraw/zinc/42/28/36/644422836.db2.gz KQLRSMDLLCTBKH-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP CCOCC[C@@H](O)C[N@H+]1CCCC[C@H]1C[NH2+]C ZINC000923430413 644422838 /nfs/dbraw/zinc/42/28/38/644422838.db2.gz KQLRSMDLLCTBKH-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP CSC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000923430941 644424471 /nfs/dbraw/zinc/42/44/71/644424471.db2.gz PMPKMXPTJUHKGO-RKDXNWHRSA-N 2 2 218.366 0.379 20 0 BCADLP CSC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000923430941 644424476 /nfs/dbraw/zinc/42/44/76/644424476.db2.gz PMPKMXPTJUHKGO-RKDXNWHRSA-N 2 2 218.366 0.379 20 0 BCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000923432804 644426880 /nfs/dbraw/zinc/42/68/80/644426880.db2.gz PWSHSTROBVLHLT-VXGBXAGGSA-N 2 2 244.379 0.689 20 0 BCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000923432804 644426882 /nfs/dbraw/zinc/42/68/82/644426882.db2.gz PWSHSTROBVLHLT-VXGBXAGGSA-N 2 2 244.379 0.689 20 0 BCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000923432798 644426922 /nfs/dbraw/zinc/42/69/22/644426922.db2.gz PWSHSTROBVLHLT-NEPJUHHUSA-N 2 2 244.379 0.689 20 0 BCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000923432798 644426926 /nfs/dbraw/zinc/42/69/26/644426926.db2.gz PWSHSTROBVLHLT-NEPJUHHUSA-N 2 2 244.379 0.689 20 0 BCADLP C[NH2+]CC[N@H+](C[C@@H](O)CSC)C(C)C ZINC000923432502 644427028 /nfs/dbraw/zinc/42/70/28/644427028.db2.gz DNQJTCWXNRDYEI-SNVBAGLBSA-N 2 2 220.382 0.640 20 0 BCADLP C[NH2+]CC[N@@H+](C[C@@H](O)CSC)C(C)C ZINC000923432502 644427030 /nfs/dbraw/zinc/42/70/30/644427030.db2.gz DNQJTCWXNRDYEI-SNVBAGLBSA-N 2 2 220.382 0.640 20 0 BCADLP C(C1CCCC1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923459363 644439339 /nfs/dbraw/zinc/43/93/39/644439339.db2.gz GSWJVCBCDDBBPJ-UHFFFAOYSA-N 2 2 211.353 0.671 20 0 BCADLP [NH3+][C@@]1(CO)CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000923470817 644448129 /nfs/dbraw/zinc/44/81/29/644448129.db2.gz BMNPWDULVIMRIJ-RYUDHWBXSA-N 2 2 228.336 0.341 20 0 BCADLP [NH3+][C@@]1(CO)CCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000923470817 644448134 /nfs/dbraw/zinc/44/81/34/644448134.db2.gz BMNPWDULVIMRIJ-RYUDHWBXSA-N 2 2 228.336 0.341 20 0 BCADLP CO[C@H](C[N@@H+]1CCC[C@@]([NH3+])(CO)C1)C1CCC1 ZINC000923475583 644452966 /nfs/dbraw/zinc/45/29/66/644452966.db2.gz YJAWUWVYUUPVBP-OLZOCXBDSA-N 2 2 242.363 0.587 20 0 BCADLP CO[C@H](C[N@H+]1CCC[C@@]([NH3+])(CO)C1)C1CCC1 ZINC000923475583 644452971 /nfs/dbraw/zinc/45/29/71/644452971.db2.gz YJAWUWVYUUPVBP-OLZOCXBDSA-N 2 2 242.363 0.587 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520493 644482025 /nfs/dbraw/zinc/48/20/25/644482025.db2.gz DNHLYOAQFFIBCG-GRYCIOLGSA-N 2 2 239.363 0.442 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520493 644482029 /nfs/dbraw/zinc/48/20/29/644482029.db2.gz DNHLYOAQFFIBCG-GRYCIOLGSA-N 2 2 239.363 0.442 20 0 BCADLP c1c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)nn2c1CCC2 ZINC000923522557 644487543 /nfs/dbraw/zinc/48/75/43/644487543.db2.gz WCYQJYJELQWTER-NWDGAFQWSA-N 2 2 246.358 0.871 20 0 BCADLP c1c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)nn2c1CCC2 ZINC000923522557 644487549 /nfs/dbraw/zinc/48/75/49/644487549.db2.gz WCYQJYJELQWTER-NWDGAFQWSA-N 2 2 246.358 0.871 20 0 BCADLP CN(C)C(=O)CC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923534867 644488112 /nfs/dbraw/zinc/48/81/12/644488112.db2.gz YLHDXRPKJVGELU-CYBMUJFWSA-N 2 2 239.363 0.683 20 0 BCADLP CN(C)C(=O)CC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923534867 644488115 /nfs/dbraw/zinc/48/81/15/644488115.db2.gz YLHDXRPKJVGELU-CYBMUJFWSA-N 2 2 239.363 0.683 20 0 BCADLP CSC[C@H](O)C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530427 644488481 /nfs/dbraw/zinc/48/84/81/644488481.db2.gz ISSSMDMNFAYJMY-NEPJUHHUSA-N 2 2 244.404 0.928 20 0 BCADLP CSC[C@H](O)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530427 644488488 /nfs/dbraw/zinc/48/84/88/644488488.db2.gz ISSSMDMNFAYJMY-NEPJUHHUSA-N 2 2 244.404 0.928 20 0 BCADLP Cn1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000252556260 644865172 /nfs/dbraw/zinc/86/51/72/644865172.db2.gz STDVDGJRLWAZEO-KBPBESRZSA-N 2 2 249.358 0.978 20 0 BCADLP Cn1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000252556260 644865174 /nfs/dbraw/zinc/86/51/74/644865174.db2.gz STDVDGJRLWAZEO-KBPBESRZSA-N 2 2 249.358 0.978 20 0 BCADLP Cc1nonc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252867477 644917283 /nfs/dbraw/zinc/91/72/83/644917283.db2.gz QXJQPJNRWWJHDN-DCAQKATOSA-N 2 2 236.319 0.937 20 0 BCADLP Cc1nonc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252867477 644917288 /nfs/dbraw/zinc/91/72/88/644917288.db2.gz QXJQPJNRWWJHDN-DCAQKATOSA-N 2 2 236.319 0.937 20 0 BCADLP C[NH2+]CC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000827971348 645090194 /nfs/dbraw/zinc/09/01/94/645090194.db2.gz VQPHZHREHHAWOL-UHFFFAOYSA-N 2 2 237.303 0.543 20 0 BCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+]1C ZINC000928430494 645749852 /nfs/dbraw/zinc/74/98/52/645749852.db2.gz XTVHPTWWEXUBIV-DBIOUOCHSA-N 2 2 248.330 0.722 20 0 BCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+]1C ZINC000928430494 645749854 /nfs/dbraw/zinc/74/98/54/645749854.db2.gz XTVHPTWWEXUBIV-DBIOUOCHSA-N 2 2 248.330 0.722 20 0 BCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000928430494 645749858 /nfs/dbraw/zinc/74/98/58/645749858.db2.gz XTVHPTWWEXUBIV-DBIOUOCHSA-N 2 2 248.330 0.722 20 0 BCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@H+]1C ZINC000928430494 645749861 /nfs/dbraw/zinc/74/98/61/645749861.db2.gz XTVHPTWWEXUBIV-DBIOUOCHSA-N 2 2 248.330 0.722 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928553694 645811102 /nfs/dbraw/zinc/81/11/02/645811102.db2.gz DBJSNIWBHWEVDD-VIFPVBQESA-N 2 2 222.292 0.081 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928553694 645811106 /nfs/dbraw/zinc/81/11/06/645811106.db2.gz DBJSNIWBHWEVDD-VIFPVBQESA-N 2 2 222.292 0.081 20 0 BCADLP Cc1[nH]c(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c(C)[nH+]1 ZINC000930328595 645951614 /nfs/dbraw/zinc/95/16/14/645951614.db2.gz VCEMHKOOFOASJR-HQJQHLMTSA-N 2 2 236.319 0.641 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cnnn1C ZINC000924650856 646086172 /nfs/dbraw/zinc/08/61/72/646086172.db2.gz ZFNBTEDKYPNBEF-NXEZZACHSA-N 2 2 234.307 0.751 20 0 BCADLP c1ncn(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000924825338 646112958 /nfs/dbraw/zinc/11/29/58/646112958.db2.gz QLDSJNCEFHSWBP-QWHCGFSZSA-N 2 2 249.362 0.885 20 0 BCADLP c1ncn(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000924825338 646112960 /nfs/dbraw/zinc/11/29/60/646112960.db2.gz QLDSJNCEFHSWBP-QWHCGFSZSA-N 2 2 249.362 0.885 20 0 BCADLP CC(C)C(=O)NCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925509347 646307842 /nfs/dbraw/zinc/30/78/42/646307842.db2.gz MBKROCSAOWDNPH-SNVBAGLBSA-N 2 2 227.352 0.489 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC000925507451 646309483 /nfs/dbraw/zinc/30/94/83/646309483.db2.gz BCRMZBRWWIHNMJ-SNVBAGLBSA-N 2 2 225.336 0.243 20 0 BCADLP CC(C)C[C@H](CCO)C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925525412 646313478 /nfs/dbraw/zinc/31/34/78/646313478.db2.gz COMLURRRINTFAA-STQMWFEESA-N 2 2 244.379 0.609 20 0 BCADLP C[C@H](O)[C@@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000929804729 646326314 /nfs/dbraw/zinc/32/63/14/646326314.db2.gz XVHIRYKUVAWWFM-ONGXEEELSA-N 2 2 239.319 0.331 20 0 BCADLP C[C@H]([NH2+][C@@H]1C[NH2+]CCOC1)C1CCOCC1 ZINC000925562776 646335096 /nfs/dbraw/zinc/33/50/96/646335096.db2.gz YDHIICWNNJPGIO-CMPLNLGQSA-N 2 2 228.336 0.380 20 0 BCADLP C[C@@H]([NH3+])[C@H]([NH2+][C@H](C)CC(N)=O)c1ccccc1 ZINC000925574665 646341077 /nfs/dbraw/zinc/34/10/77/646341077.db2.gz SRJPYCGSRFLBSL-BREBYQMCSA-N 2 2 235.331 0.928 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925574668 646341458 /nfs/dbraw/zinc/34/14/58/646341458.db2.gz SRJPYCGSRFLBSL-NRUUGDAUSA-N 2 2 235.331 0.928 20 0 BCADLP C1CC([NH2+][C@@H]2C[NH2+]CCOC2)CCS1 ZINC000925592353 646349804 /nfs/dbraw/zinc/34/98/04/646349804.db2.gz WHPOPRYVTHFVLY-SNVBAGLBSA-N 2 2 216.350 0.460 20 0 BCADLP C1=CC[C@H](C[NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925618612 646350811 /nfs/dbraw/zinc/35/08/11/646350811.db2.gz XAAMUQIOZJXWJV-RYUDHWBXSA-N 2 2 210.321 0.921 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H](O)C1CCOCC1 ZINC000925617995 646365160 /nfs/dbraw/zinc/36/51/60/646365160.db2.gz FDUXLCDBXLHVBZ-CYZMBNFOSA-N 2 2 242.363 0.504 20 0 BCADLP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925644773 646373707 /nfs/dbraw/zinc/37/37/07/646373707.db2.gz NQGGQSJZGHQXLW-TUAOUCFPSA-N 2 2 228.336 0.116 20 0 BCADLP C[C@@H]1CC([NH2+][C@@H]2C[NH2+]CCOC2)C[C@@H](C)O1 ZINC000925632713 646375721 /nfs/dbraw/zinc/37/57/21/646375721.db2.gz XWWDQPBHXDHFTK-CKYFFXLPSA-N 2 2 228.336 0.520 20 0 BCADLP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2C[NH2+]CCOC2)CCO1 ZINC000925637643 646380526 /nfs/dbraw/zinc/38/05/26/646380526.db2.gz PERSBPATUFXPQY-FRRDWIJNSA-N 2 2 242.363 0.770 20 0 BCADLP Cn1ncc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925670048 646400433 /nfs/dbraw/zinc/40/04/33/646400433.db2.gz GGISXCMTXZBZGC-UWVGGRQHSA-N 2 2 237.351 0.811 20 0 BCADLP COC[C@H](O)C[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925668775 646400911 /nfs/dbraw/zinc/40/09/11/646400911.db2.gz ZWHBTHIWHYZRLQ-CYZMBNFOSA-N 2 2 238.331 0.672 20 0 BCADLP C([NH2+][C@H]1C[NH2+]CCOC1)[C@H]1CC12CCOCC2 ZINC000925681241 646408862 /nfs/dbraw/zinc/40/88/62/646408862.db2.gz MVDTWOOTXWKWFK-NEPJUHHUSA-N 2 2 240.347 0.381 20 0 BCADLP C[NH2+]CCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925691001 646415811 /nfs/dbraw/zinc/41/58/11/646415811.db2.gz LAGNUXQSXFNXAN-WOPDTQHZSA-N 3 2 225.380 0.962 20 0 BCADLP OC/C=C\C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925710376 646435152 /nfs/dbraw/zinc/43/51/52/646435152.db2.gz XFFMZLVMPHWMQZ-BYCRGOAPSA-N 2 2 210.321 0.799 20 0 BCADLP FCCOCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925715631 646441331 /nfs/dbraw/zinc/44/13/31/646441331.db2.gz GEMJKGFWXBEOGE-SNVBAGLBSA-N 2 2 216.300 0.847 20 0 BCADLP C[NH2+]CCOCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925721322 646446810 /nfs/dbraw/zinc/44/68/10/646446810.db2.gz ZBZLDGUCEZRRJE-LLVKDONJSA-N 3 2 227.352 0.097 20 0 BCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC(C)(C)[NH3+] ZINC000925737938 646454695 /nfs/dbraw/zinc/45/46/95/646454695.db2.gz RCPJLOBHOZDMQS-QWRGUYRKSA-N 3 2 229.368 0.470 20 0 BCADLP CC(C)([NH3+])CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000925736957 646460778 /nfs/dbraw/zinc/46/07/78/646460778.db2.gz LSLFNMDJBFKZTB-VXGBXAGGSA-N 3 2 241.379 0.470 20 0 BCADLP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cnn(C)n1 ZINC000925811664 646490853 /nfs/dbraw/zinc/49/08/53/646490853.db2.gz DTUSEZCGGZRWHU-UWVGGRQHSA-N 2 2 246.318 0.677 20 0 BCADLP CC1(C)[C@H]([NH2+][C@H]2CNOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925865063 646516053 /nfs/dbraw/zinc/51/60/53/646516053.db2.gz OJJFBNNKWUNKDV-ZRUFSTJUSA-N 2 2 225.336 0.256 20 0 BCADLP CCOCCOCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925875770 646525521 /nfs/dbraw/zinc/52/55/21/646525521.db2.gz WETPHYXXCRFZLO-NWDGAFQWSA-N 2 2 230.352 0.770 20 0 BCADLP C([NH2+][C@@H]1C[NH2+]CCOC1)[C@]12C[C@H]1CCC2 ZINC000925881019 646530417 /nfs/dbraw/zinc/53/04/17/646530417.db2.gz PUTQAOHBYHTHGD-UTUOFQBUSA-N 2 2 210.321 0.755 20 0 BCADLP C[C@H]([NH2+]C[C@@H](O)c1ccnn1C)[C@H]1CCC[NH2+]1 ZINC000925890734 646533858 /nfs/dbraw/zinc/53/38/58/646533858.db2.gz QULPRYXNBITTKK-HOSYDEDBSA-N 2 2 238.335 0.184 20 0 BCADLP Cn1c[nH+]cc1CC[NH2+]C1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000926202040 646593819 /nfs/dbraw/zinc/59/38/19/646593819.db2.gz AUMZCHFDVXKNAX-ONXXMXGDSA-N 3 2 248.374 0.892 20 0 BCADLP Cn1c[nH+]cc1CC[NH2+]C1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000926202040 646593820 /nfs/dbraw/zinc/59/38/20/646593820.db2.gz AUMZCHFDVXKNAX-ONXXMXGDSA-N 3 2 248.374 0.892 20 0 BCADLP CC1(C)CNC(=O)[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000926230277 646599861 /nfs/dbraw/zinc/59/98/61/646599861.db2.gz RTDUFDPXTAXDBE-KOLCDFICSA-N 2 2 248.330 0.312 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cnn(C)n1 ZINC000926231239 646600205 /nfs/dbraw/zinc/60/02/05/646600205.db2.gz YMCZWPVROWAQQI-NXEZZACHSA-N 2 2 246.318 0.677 20 0 BCADLP COC[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926372098 646627980 /nfs/dbraw/zinc/62/79/80/646627980.db2.gz FMIVOLKIJUSXAN-XQQFMLRXSA-N 2 2 242.363 0.600 20 0 BCADLP COC[C@@H](O)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926372098 646627983 /nfs/dbraw/zinc/62/79/83/646627983.db2.gz FMIVOLKIJUSXAN-XQQFMLRXSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+][C@@H](C)C[NH+](C)C ZINC000926424331 646635481 /nfs/dbraw/zinc/63/54/81/646635481.db2.gz PLZLSDXBOZZTDC-GARJFASQSA-N 2 2 227.352 0.583 20 0 BCADLP C[C@@H]1COC[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000926451362 646641679 /nfs/dbraw/zinc/64/16/79/646641679.db2.gz YXYKKTYGSQLGAH-VDDIYKPWSA-N 2 2 221.304 0.892 20 0 BCADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cnn(C)n1 ZINC000926449793 646642035 /nfs/dbraw/zinc/64/20/35/646642035.db2.gz IDOOLSHFUFWLRV-DTWKUNHWSA-N 2 2 246.318 0.746 20 0 BCADLP C[C@@H](C[NH2+][C@@H](C)c1cnnn1C)C[NH+](C)C ZINC000926476062 646653087 /nfs/dbraw/zinc/65/30/87/646653087.db2.gz XCXDMTSFZUIKBY-UWVGGRQHSA-N 2 2 225.340 0.663 20 0 BCADLP C[C@@H]1COCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000382657880 711546779 /nfs/dbraw/zinc/54/67/79/711546779.db2.gz IAENEJKJQDNXSZ-OLZOCXBDSA-N 2 2 242.363 0.554 20 0 BCADLP C[C@@H]1COCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000382657880 711546780 /nfs/dbraw/zinc/54/67/80/711546780.db2.gz IAENEJKJQDNXSZ-OLZOCXBDSA-N 2 2 242.363 0.554 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CC[C@@H]1OC ZINC000724190960 711568127 /nfs/dbraw/zinc/56/81/27/711568127.db2.gz BNIQROODYMKUSH-TUAOUCFPSA-N 2 2 230.352 0.408 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CC[C@@H]1OC ZINC000724190960 711568129 /nfs/dbraw/zinc/56/81/29/711568129.db2.gz BNIQROODYMKUSH-TUAOUCFPSA-N 2 2 230.352 0.408 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CC[C@@H]1OC ZINC000724190960 711568132 /nfs/dbraw/zinc/56/81/32/711568132.db2.gz BNIQROODYMKUSH-TUAOUCFPSA-N 2 2 230.352 0.408 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CC[C@@H]1OC ZINC000724190960 711568134 /nfs/dbraw/zinc/56/81/34/711568134.db2.gz BNIQROODYMKUSH-TUAOUCFPSA-N 2 2 230.352 0.408 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)C[C@H]1[NH3+] ZINC000724602193 711597059 /nfs/dbraw/zinc/59/70/59/711597059.db2.gz XREIHTGETVBIFM-YBXAARCKSA-N 2 2 226.320 0.069 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)C[C@H]1[NH3+] ZINC000724602193 711597063 /nfs/dbraw/zinc/59/70/63/711597063.db2.gz XREIHTGETVBIFM-YBXAARCKSA-N 2 2 226.320 0.069 20 0 BCADLP [NH3+][C@H](CC(=O)NC1CCC([NH3+])CC1)C(F)F ZINC000724755012 711610544 /nfs/dbraw/zinc/61/05/44/711610544.db2.gz KJUAYQTZEAHMBV-KAVNDROISA-N 2 2 235.278 0.355 20 0 BCADLP CC(C)[C@H](O)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396595687 711702704 /nfs/dbraw/zinc/70/27/04/711702704.db2.gz VTDGJYRQSDHDSK-GARJFASQSA-N 2 2 200.326 0.733 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000925875590 711761668 /nfs/dbraw/zinc/76/16/68/711761668.db2.gz VCPSDINWZZFJAJ-QJPTWQEYSA-N 2 2 228.336 0.522 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ncccn1 ZINC000705288525 712127921 /nfs/dbraw/zinc/12/79/21/712127921.db2.gz JJJRFTHXJFDJPS-UWVGGRQHSA-N 2 2 206.293 0.694 20 0 BCADLP CCOC[C@@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000705803410 712135842 /nfs/dbraw/zinc/13/58/42/712135842.db2.gz LCNWYYABNNPMTR-AGIUHOORSA-N 2 2 242.363 0.579 20 0 BCADLP CCOC[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000705803410 712135843 /nfs/dbraw/zinc/13/58/43/712135843.db2.gz LCNWYYABNNPMTR-AGIUHOORSA-N 2 2 242.363 0.579 20 0 BCADLP Cc1nonc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708830076 712200193 /nfs/dbraw/zinc/20/01/93/712200193.db2.gz JTOQIAQOXUPFRK-VXNVDRBHSA-N 2 2 210.281 0.405 20 0 BCADLP Cc1nonc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708830076 712200196 /nfs/dbraw/zinc/20/01/96/712200196.db2.gz JTOQIAQOXUPFRK-VXNVDRBHSA-N 2 2 210.281 0.405 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CF)C1 ZINC000711466090 712302557 /nfs/dbraw/zinc/30/25/57/712302557.db2.gz DPOYWZRNUVWNNK-NEPJUHHUSA-N 2 2 248.342 0.217 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CF)C1 ZINC000711466090 712302558 /nfs/dbraw/zinc/30/25/58/712302558.db2.gz DPOYWZRNUVWNNK-NEPJUHHUSA-N 2 2 248.342 0.217 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CF)C1 ZINC000711466090 712302559 /nfs/dbraw/zinc/30/25/59/712302559.db2.gz DPOYWZRNUVWNNK-NEPJUHHUSA-N 2 2 248.342 0.217 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CF)C1 ZINC000711466090 712302560 /nfs/dbraw/zinc/30/25/60/712302560.db2.gz DPOYWZRNUVWNNK-NEPJUHHUSA-N 2 2 248.342 0.217 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](CF)C1)C1CC1 ZINC000711471659 712302968 /nfs/dbraw/zinc/30/29/68/712302968.db2.gz UIKLOBHKNRZRQQ-PWSUYJOCSA-N 2 2 230.327 0.733 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](CF)C1)C1CC1 ZINC000711471659 712302971 /nfs/dbraw/zinc/30/29/71/712302971.db2.gz UIKLOBHKNRZRQQ-PWSUYJOCSA-N 2 2 230.327 0.733 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](CF)C1)C1CC1 ZINC000711471659 712302973 /nfs/dbraw/zinc/30/29/73/712302973.db2.gz UIKLOBHKNRZRQQ-PWSUYJOCSA-N 2 2 230.327 0.733 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](CF)C1)C1CC1 ZINC000711471659 712302975 /nfs/dbraw/zinc/30/29/75/712302975.db2.gz UIKLOBHKNRZRQQ-PWSUYJOCSA-N 2 2 230.327 0.733 20 0 BCADLP Cn1cc(C[N@@H+]2CC[NH2+]CCC2(C)C)cn1 ZINC000712548246 712444418 /nfs/dbraw/zinc/44/44/18/712444418.db2.gz CXJULSCCYOYXOF-UHFFFAOYSA-N 2 2 222.336 0.994 20 0 BCADLP Cn1cc(C[N@H+]2CC[NH2+]CCC2(C)C)cn1 ZINC000712548246 712444419 /nfs/dbraw/zinc/44/44/19/712444419.db2.gz CXJULSCCYOYXOF-UHFFFAOYSA-N 2 2 222.336 0.994 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](C)C[C@@H]1CC2(CO1)CCOCC2 ZINC000712698676 712448781 /nfs/dbraw/zinc/44/87/81/712448781.db2.gz RZMKKRKQSKVQAT-NEPJUHHUSA-N 2 2 242.363 0.851 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@@H]1CC2(CO1)CCOCC2 ZINC000712698676 712448782 /nfs/dbraw/zinc/44/87/82/712448782.db2.gz RZMKKRKQSKVQAT-NEPJUHHUSA-N 2 2 242.363 0.851 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CC2(C)OCCO2)n1C ZINC000716916331 712582117 /nfs/dbraw/zinc/58/21/17/712582117.db2.gz ORGFVCLRIBFVAN-UHFFFAOYSA-N 2 2 225.292 0.581 20 0 BCADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCCO ZINC000720352458 712832953 /nfs/dbraw/zinc/83/29/53/712832953.db2.gz PWWYNAXESODLDA-NEPJUHHUSA-N 2 2 212.337 0.927 20 0 BCADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCCO ZINC000720352458 712832955 /nfs/dbraw/zinc/83/29/55/712832955.db2.gz PWWYNAXESODLDA-NEPJUHHUSA-N 2 2 212.337 0.927 20 0 BCADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCCCO ZINC000720352458 712832958 /nfs/dbraw/zinc/83/29/58/712832958.db2.gz PWWYNAXESODLDA-NEPJUHHUSA-N 2 2 212.337 0.927 20 0 BCADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCCCO ZINC000720352458 712832961 /nfs/dbraw/zinc/83/29/61/712832961.db2.gz PWWYNAXESODLDA-NEPJUHHUSA-N 2 2 212.337 0.927 20 0 BCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720907099 712876652 /nfs/dbraw/zinc/87/66/52/712876652.db2.gz JGHUPGBSUMKUQS-YFKTTZPYSA-N 2 2 228.336 0.114 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000721040820 712888126 /nfs/dbraw/zinc/88/81/26/712888126.db2.gz YKTVFVBPFLYNMR-MNOVXSKESA-N 2 2 239.363 0.395 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCN(C)C(=O)C1(C)C ZINC000721040820 712888127 /nfs/dbraw/zinc/88/81/27/712888127.db2.gz YKTVFVBPFLYNMR-MNOVXSKESA-N 2 2 239.363 0.395 20 0 BCADLP CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042547362 710792124 /nfs/dbraw/zinc/79/21/24/710792124.db2.gz NVNPKPKCHTYJQG-NSHDSACASA-N 2 2 225.336 0.243 20 0 BCADLP CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042547362 710792127 /nfs/dbraw/zinc/79/21/27/710792127.db2.gz NVNPKPKCHTYJQG-NSHDSACASA-N 2 2 225.336 0.243 20 0 BCADLP CC[NH+]1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001043876259 710814699 /nfs/dbraw/zinc/81/46/99/710814699.db2.gz PAQIVHGLUDGUHA-LLVKDONJSA-N 2 2 239.363 0.491 20 0 BCADLP CC[NH+]1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001043876259 710814702 /nfs/dbraw/zinc/81/47/02/710814702.db2.gz PAQIVHGLUDGUHA-LLVKDONJSA-N 2 2 239.363 0.491 20 0 BCADLP CC[NH+]1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001043876298 710815228 /nfs/dbraw/zinc/81/52/28/710815228.db2.gz PGNCZGURQHDRJM-NSHDSACASA-N 2 2 239.363 0.633 20 0 BCADLP CC[NH+]1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001043876298 710815231 /nfs/dbraw/zinc/81/52/31/710815231.db2.gz PGNCZGURQHDRJM-NSHDSACASA-N 2 2 239.363 0.633 20 0 BCADLP C[N@H+](C[C@@H](O)C(F)(F)F)C1CC([NH3+])C1 ZINC000384732991 710953018 /nfs/dbraw/zinc/95/30/18/710953018.db2.gz KDECDUXWDYKDFS-KPGICGJXSA-N 2 2 212.215 0.331 20 0 BCADLP C[N@@H+](C[C@@H](O)C(F)(F)F)C1CC([NH3+])C1 ZINC000384732991 710953023 /nfs/dbraw/zinc/95/30/23/710953023.db2.gz KDECDUXWDYKDFS-KPGICGJXSA-N 2 2 212.215 0.331 20 0 BCADLP CNC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000382502848 710971643 /nfs/dbraw/zinc/97/16/43/710971643.db2.gz RVTJGSYSCNBXMN-NSHDSACASA-N 2 2 225.336 0.339 20 0 BCADLP CNC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CC1 ZINC000382502848 710971646 /nfs/dbraw/zinc/97/16/46/710971646.db2.gz RVTJGSYSCNBXMN-NSHDSACASA-N 2 2 225.336 0.339 20 0 BCADLP Cc1cc(C)n(CC[N@@H+](C)C[C@@H](C)[NH3+])n1 ZINC000386729953 711035573 /nfs/dbraw/zinc/03/55/73/711035573.db2.gz AXGDSALJAAKOJH-SECBINFHSA-N 2 2 210.325 0.779 20 0 BCADLP Cc1cc(C)n(CC[N@H+](C)C[C@@H](C)[NH3+])n1 ZINC000386729953 711035578 /nfs/dbraw/zinc/03/55/78/711035578.db2.gz AXGDSALJAAKOJH-SECBINFHSA-N 2 2 210.325 0.779 20 0 BCADLP Cn1ncc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000389806906 711089316 /nfs/dbraw/zinc/08/93/16/711089316.db2.gz CKFSKQIMXWWEJS-DTWKUNHWSA-N 2 2 209.297 0.175 20 0 BCADLP C[C@@H](C[NH2+]C1CCN(C=O)CC1)[NH+](C)C ZINC000389894580 711096437 /nfs/dbraw/zinc/09/64/37/711096437.db2.gz XWUKVCAVFRIPDC-JTQLQIEISA-N 2 2 213.325 0.147 20 0 BCADLP COC[C@H](CCO)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396618999 711361153 /nfs/dbraw/zinc/36/11/53/711361153.db2.gz HDGHYGPRFSETJM-GARJFASQSA-N 2 2 216.325 0.114 20 0 BCADLP COC[C@H](CCO)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396618998 711361376 /nfs/dbraw/zinc/36/13/76/711361376.db2.gz HDGHYGPRFSETJM-DCAQKATOSA-N 2 2 216.325 0.114 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC000396560569 711355082 /nfs/dbraw/zinc/35/50/82/711355082.db2.gz HUJYLTGQYDOLNM-VHSXEESVSA-N 2 2 234.365 0.151 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000396702138 711365791 /nfs/dbraw/zinc/36/57/91/711365791.db2.gz LJNKUTHMORHCIT-WCQYABFASA-N 3 2 223.364 0.978 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000396702138 711365795 /nfs/dbraw/zinc/36/57/95/711365795.db2.gz LJNKUTHMORHCIT-WCQYABFASA-N 3 2 223.364 0.978 20 0 BCADLP CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001018338399 710664191 /nfs/dbraw/zinc/66/41/91/710664191.db2.gz XDLJQWNJBXBRGF-TXEJJXNPSA-N 2 2 248.330 0.578 20 0 BCADLP CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001018338399 710664193 /nfs/dbraw/zinc/66/41/93/710664193.db2.gz XDLJQWNJBXBRGF-TXEJJXNPSA-N 2 2 248.330 0.578 20 0 BCADLP CCN1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC1=O ZINC000396687418 711364732 /nfs/dbraw/zinc/36/47/32/711364732.db2.gz YWWFJILSLPMOHO-GMTAPVOTSA-N 2 2 225.336 0.337 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000396702136 711365899 /nfs/dbraw/zinc/36/58/99/711365899.db2.gz LJNKUTHMORHCIT-AAEUAGOBSA-N 3 2 223.364 0.978 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000396702136 711365902 /nfs/dbraw/zinc/36/59/02/711365902.db2.gz LJNKUTHMORHCIT-AAEUAGOBSA-N 3 2 223.364 0.978 20 0 BCADLP CON(C)C(=O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000397523129 711385515 /nfs/dbraw/zinc/38/55/15/711385515.db2.gz FVMNXMLHDOUXQB-MNOVXSKESA-N 2 2 241.335 0.223 20 0 BCADLP CON(C)C(=O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000397523129 711385510 /nfs/dbraw/zinc/38/55/10/711385510.db2.gz FVMNXMLHDOUXQB-MNOVXSKESA-N 2 2 241.335 0.223 20 0 BCADLP Cc1nc(C)c(C[N@@H+]2CCCO[C@H](C[NH3+])C2)o1 ZINC000723649003 711530801 /nfs/dbraw/zinc/53/08/01/711530801.db2.gz DFXMXRYWNYGMDY-LLVKDONJSA-N 2 2 239.319 0.841 20 0 BCADLP Cc1nc(C)c(C[N@H+]2CCCO[C@H](C[NH3+])C2)o1 ZINC000723649003 711530804 /nfs/dbraw/zinc/53/08/04/711530804.db2.gz DFXMXRYWNYGMDY-LLVKDONJSA-N 2 2 239.319 0.841 20 0 BCADLP C[N@H+](C[C@@H]1C[C@H]2COC[C@@H]2O1)C1(C[NH3+])CCC1 ZINC000724596491 711596392 /nfs/dbraw/zinc/59/63/92/711596392.db2.gz WCJZQNNEKLKWSQ-SRVKXCTJSA-N 2 2 240.347 0.604 20 0 BCADLP C[N@@H+](C[C@@H]1C[C@H]2COC[C@@H]2O1)C1(C[NH3+])CCC1 ZINC000724596491 711596396 /nfs/dbraw/zinc/59/63/96/711596396.db2.gz WCJZQNNEKLKWSQ-SRVKXCTJSA-N 2 2 240.347 0.604 20 0 BCADLP CO[C@@H]1CCOC[C@H]1[NH2+]Cc1[nH]c(C)[nH+]c1C ZINC000724771665 711611087 /nfs/dbraw/zinc/61/10/87/711611087.db2.gz RKVMDXFDSGKOEY-VXGBXAGGSA-N 2 2 239.319 0.920 20 0 BCADLP C[N@H+](CCO[C@H]1CCOC1)CC(C)(C)[NH3+] ZINC000724949978 711634014 /nfs/dbraw/zinc/63/40/14/711634014.db2.gz YALWQFFAGOLSPR-JTQLQIEISA-N 2 2 216.325 0.461 20 0 BCADLP C[N@@H+](CCO[C@H]1CCOC1)CC(C)(C)[NH3+] ZINC000724949978 711634016 /nfs/dbraw/zinc/63/40/16/711634016.db2.gz YALWQFFAGOLSPR-JTQLQIEISA-N 2 2 216.325 0.461 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCSCCCO ZINC000396569715 711701850 /nfs/dbraw/zinc/70/18/50/711701850.db2.gz KVWRISXQYCUJFO-MNOVXSKESA-N 2 2 232.393 0.832 20 0 BCADLP O[C@H](C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccco1 ZINC000925604821 711704822 /nfs/dbraw/zinc/70/48/22/711704822.db2.gz AFMWKYSURNZSJI-FZGPNCDPSA-N 2 2 248.326 0.899 20 0 BCADLP CC(=O)N1CC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925722228 711719948 /nfs/dbraw/zinc/71/99/48/711719948.db2.gz UJMXPIXHQGCAOP-NEPJUHHUSA-N 2 2 237.347 0.481 20 0 BCADLP C[C@H]([NH2+]CCO[C@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000925875598 711761549 /nfs/dbraw/zinc/76/15/49/711761549.db2.gz VDAWFQCAPFRWDJ-RWMBFGLXSA-N 2 2 242.363 0.912 20 0 BCADLP CO[C@H]1COCC[C@@H]1[N@H+](C)CCn1cc[nH+]c1 ZINC000880433804 711773192 /nfs/dbraw/zinc/77/31/92/711773192.db2.gz ZVNCSOBEXYAMLO-RYUDHWBXSA-N 2 2 239.319 0.619 20 0 BCADLP CO[C@H]1COCC[C@@H]1[N@@H+](C)CCn1cc[nH+]c1 ZINC000880433804 711773193 /nfs/dbraw/zinc/77/31/93/711773193.db2.gz ZVNCSOBEXYAMLO-RYUDHWBXSA-N 2 2 239.319 0.619 20 0 BCADLP [NH3+][C@H](CC(=O)NC[C@H]1CCCC[NH2+]1)C(F)F ZINC000911715495 711819397 /nfs/dbraw/zinc/81/93/97/711819397.db2.gz YMIFEGMVASYSSY-HTQZYQBOSA-N 2 2 235.278 0.227 20 0 BCADLP Cn1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000383641861 711874009 /nfs/dbraw/zinc/87/40/09/711874009.db2.gz BPKHTFYYIIAOLI-WCQGTBRESA-N 2 2 235.335 0.374 20 0 BCADLP Cn1ncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000383641861 711874010 /nfs/dbraw/zinc/87/40/10/711874010.db2.gz BPKHTFYYIIAOLI-WCQGTBRESA-N 2 2 235.335 0.374 20 0 BCADLP CC(C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032650938 711931699 /nfs/dbraw/zinc/93/16/99/711931699.db2.gz AQJBAICXSBXWIK-RYUDHWBXSA-N 2 2 248.330 0.646 20 0 BCADLP CC(C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032650938 711931700 /nfs/dbraw/zinc/93/17/00/711931700.db2.gz AQJBAICXSBXWIK-RYUDHWBXSA-N 2 2 248.330 0.646 20 0 BCADLP C[C@H](CC[NH2+]Cc1cncn1C)[NH+](C)C ZINC000700453781 711994988 /nfs/dbraw/zinc/99/49/88/711994988.db2.gz GQFDVQGPVKOMRJ-SNVBAGLBSA-N 2 2 210.325 0.850 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702092913 712038530 /nfs/dbraw/zinc/03/85/30/712038530.db2.gz PUVZKRWNELSCHT-WCQYABFASA-N 2 2 239.363 0.396 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702092913 712038532 /nfs/dbraw/zinc/03/85/32/712038532.db2.gz PUVZKRWNELSCHT-WCQYABFASA-N 2 2 239.363 0.396 20 0 BCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000702572613 712055705 /nfs/dbraw/zinc/05/57/05/712055705.db2.gz GZBAPKLPZWUKCT-OCCSQVGLSA-N 2 2 247.342 0.725 20 0 BCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000702572613 712055706 /nfs/dbraw/zinc/05/57/06/712055706.db2.gz GZBAPKLPZWUKCT-OCCSQVGLSA-N 2 2 247.342 0.725 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C1CC([NH3+])C1 ZINC000703516757 712078064 /nfs/dbraw/zinc/07/80/64/712078064.db2.gz TYCYHPVLOAFBDH-IDKOKCKLSA-N 2 2 222.292 0.125 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ncccn1 ZINC000705288526 712127897 /nfs/dbraw/zinc/12/78/97/712127897.db2.gz JJJRFTHXJFDJPS-VHSXEESVSA-N 2 2 206.293 0.694 20 0 BCADLP C[N@H+]1C[C@@H]2C[NH+](C[C@@]3(C)CCC[NH2+]C3)C[C@@H]2C1 ZINC000706979882 712160159 /nfs/dbraw/zinc/16/01/59/712160159.db2.gz AKFNOZACTCBETG-MJBXVCDLSA-N 3 2 237.391 0.870 20 0 BCADLP C[N@@H+]1C[C@@H]2C[NH+](C[C@@]3(C)CCC[NH2+]C3)C[C@@H]2C1 ZINC000706979882 712160161 /nfs/dbraw/zinc/16/01/61/712160161.db2.gz AKFNOZACTCBETG-MJBXVCDLSA-N 3 2 237.391 0.870 20 0 BCADLP C[NH+]1C[C@@H]2C[N@@H+](C[C@@]3(C)CCC[NH2+]C3)C[C@@H]2C1 ZINC000706979882 712160165 /nfs/dbraw/zinc/16/01/65/712160165.db2.gz AKFNOZACTCBETG-MJBXVCDLSA-N 3 2 237.391 0.870 20 0 BCADLP C[NH+]1C[C@@H]2C[N@H+](C[C@@]3(C)CCC[NH2+]C3)C[C@@H]2C1 ZINC000706979882 712160167 /nfs/dbraw/zinc/16/01/67/712160167.db2.gz AKFNOZACTCBETG-MJBXVCDLSA-N 3 2 237.391 0.870 20 0 BCADLP FC[C@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000711456103 712304616 /nfs/dbraw/zinc/30/46/16/712304616.db2.gz RDAONJLAWCUMDH-ZJUUUORDSA-N 2 2 202.273 0.266 20 0 BCADLP FC[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000711456103 712304618 /nfs/dbraw/zinc/30/46/18/712304618.db2.gz RDAONJLAWCUMDH-ZJUUUORDSA-N 2 2 202.273 0.266 20 0 BCADLP FC[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000711456100 712304948 /nfs/dbraw/zinc/30/49/48/712304948.db2.gz RDAONJLAWCUMDH-UWVGGRQHSA-N 2 2 202.273 0.266 20 0 BCADLP FC[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000711456100 712304950 /nfs/dbraw/zinc/30/49/50/712304950.db2.gz RDAONJLAWCUMDH-UWVGGRQHSA-N 2 2 202.273 0.266 20 0 BCADLP CCCCOC[C@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC000379775646 712398751 /nfs/dbraw/zinc/39/87/51/712398751.db2.gz CTUBVEGKVSCYTR-WDEREUQCSA-N 2 2 218.341 0.443 20 0 BCADLP CCCCOC[C@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC000379775646 712398752 /nfs/dbraw/zinc/39/87/52/712398752.db2.gz CTUBVEGKVSCYTR-WDEREUQCSA-N 2 2 218.341 0.443 20 0 BCADLP CCN1CC[C@@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000712576966 712448178 /nfs/dbraw/zinc/44/81/78/712448178.db2.gz COHMWTPILNNNBQ-CHWSQXEVSA-N 2 2 241.379 0.127 20 0 BCADLP [NH3+]CC(C[NH3+])NCC[C@H]1CCCC1(F)F ZINC000713987375 712476621 /nfs/dbraw/zinc/47/66/21/712476621.db2.gz HWCQZEYQMWKYLC-MRVPVSSYSA-N 2 2 221.295 0.688 20 0 BCADLP CCn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)nn1 ZINC000714434901 712486481 /nfs/dbraw/zinc/48/64/81/712486481.db2.gz OIYYVXFYSPGYOV-WCFLWFBJSA-N 2 2 249.362 0.857 20 0 BCADLP CCn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)nn1 ZINC000714434901 712486482 /nfs/dbraw/zinc/48/64/82/712486482.db2.gz OIYYVXFYSPGYOV-WCFLWFBJSA-N 2 2 249.362 0.857 20 0 BCADLP CCn1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)nn1 ZINC000714925134 712500223 /nfs/dbraw/zinc/50/02/23/712500223.db2.gz WPSAHGFPLBDMFW-SNVBAGLBSA-N 2 2 234.307 0.673 20 0 BCADLP O=c1[nH]cccc1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000714997401 712503302 /nfs/dbraw/zinc/50/33/02/712503302.db2.gz MLZIQIWEVMZLRB-JZRPKSSGSA-N 2 2 245.326 0.873 20 0 BCADLP Cc1cn[nH]c1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000716454124 712561976 /nfs/dbraw/zinc/56/19/76/712561976.db2.gz VAYXMWBKZBVKIU-VHSXEESVSA-N 2 2 208.309 0.934 20 0 BCADLP Cc1c[nH]nc1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000716454124 712561977 /nfs/dbraw/zinc/56/19/77/712561977.db2.gz VAYXMWBKZBVKIU-VHSXEESVSA-N 2 2 208.309 0.934 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000826984702 712592933 /nfs/dbraw/zinc/59/29/33/712592933.db2.gz OKZHSOORHCLIFF-KOLCDFICSA-N 2 2 240.282 0.089 20 0 BCADLP OC[C@H](CC(F)F)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000717826259 712682085 /nfs/dbraw/zinc/68/20/85/712682085.db2.gz VVRNIKQCCOFNJR-ORKIUGPXSA-N 2 2 246.301 0.589 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000719332703 712804859 /nfs/dbraw/zinc/80/48/59/712804859.db2.gz IMALMGUKQXNLFQ-HTQZYQBOSA-N 2 2 237.307 0.572 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000719332703 712804861 /nfs/dbraw/zinc/80/48/61/712804861.db2.gz IMALMGUKQXNLFQ-HTQZYQBOSA-N 2 2 237.307 0.572 20 0 BCADLP C[C@@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)CCO1 ZINC000719666032 712818064 /nfs/dbraw/zinc/81/80/64/712818064.db2.gz DIOQIRZMJOKGSS-VOMCLLRMSA-N 2 2 210.321 0.849 20 0 BCADLP C[C@@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)CCO1 ZINC000719666032 712818066 /nfs/dbraw/zinc/81/80/66/712818066.db2.gz DIOQIRZMJOKGSS-VOMCLLRMSA-N 2 2 210.321 0.849 20 0 BCADLP Cc1conc1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000720374747 712836516 /nfs/dbraw/zinc/83/65/16/712836516.db2.gz OIIWYKIPNNRYCD-UHFFFAOYSA-N 2 2 238.335 0.320 20 0 BCADLP Cc1conc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000720374747 712836518 /nfs/dbraw/zinc/83/65/18/712836518.db2.gz OIIWYKIPNNRYCD-UHFFFAOYSA-N 2 2 238.335 0.320 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCO[C@@H](C)CC1 ZINC000720427330 712841424 /nfs/dbraw/zinc/84/14/24/712841424.db2.gz SBOCMSGURPSZEX-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCO[C@@H](C)CC1 ZINC000720427330 712841426 /nfs/dbraw/zinc/84/14/26/712841426.db2.gz SBOCMSGURPSZEX-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCO[C@@H](C)CC1 ZINC000720427330 712841429 /nfs/dbraw/zinc/84/14/29/712841429.db2.gz SBOCMSGURPSZEX-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCO[C@@H](C)CC1 ZINC000720427330 712841431 /nfs/dbraw/zinc/84/14/31/712841431.db2.gz SBOCMSGURPSZEX-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP Cc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(C)nn1 ZINC000720577687 712853758 /nfs/dbraw/zinc/85/37/58/712853758.db2.gz KPPNWXUQYZRORM-CHWSQXEVSA-N 2 2 232.331 0.745 20 0 BCADLP CCOC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720709313 712862035 /nfs/dbraw/zinc/86/20/35/712862035.db2.gz AZXUNRCSKZIALD-ZJUUUORDSA-N 2 2 216.325 0.053 20 0 BCADLP CCOC[C@H](O)C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720709313 712862036 /nfs/dbraw/zinc/86/20/36/712862036.db2.gz AZXUNRCSKZIALD-ZJUUUORDSA-N 2 2 216.325 0.053 20 0 BCADLP C[NH2+]CC[N@H+](CCc1cn[nH]c1)C(C)C ZINC000720768627 712864697 /nfs/dbraw/zinc/86/46/97/712864697.db2.gz FXFJLGKTWRTUKD-UHFFFAOYSA-N 2 2 210.325 0.882 20 0 BCADLP C[NH2+]CC[N@@H+](CCc1cn[nH]c1)C(C)C ZINC000720768627 712864699 /nfs/dbraw/zinc/86/46/99/712864699.db2.gz FXFJLGKTWRTUKD-UHFFFAOYSA-N 2 2 210.325 0.882 20 0 BCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720795366 712865728 /nfs/dbraw/zinc/86/57/28/712865728.db2.gz TXSXQKRLDQCKEU-OUJBWJOFSA-N 2 2 237.347 0.195 20 0 BCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720795366 712865731 /nfs/dbraw/zinc/86/57/31/712865731.db2.gz TXSXQKRLDQCKEU-OUJBWJOFSA-N 2 2 237.347 0.195 20 0 BCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccoc2)C1 ZINC000380347033 712891578 /nfs/dbraw/zinc/89/15/78/712891578.db2.gz UFMCSZAQUVNZFY-NSHDSACASA-N 2 2 210.277 0.436 20 0 BCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccoc2)C1 ZINC000380347033 712891581 /nfs/dbraw/zinc/89/15/81/712891581.db2.gz UFMCSZAQUVNZFY-NSHDSACASA-N 2 2 210.277 0.436 20 0 BCADLP COc1cc[nH+]c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC001164667575 719371885 /nfs/dbraw/zinc/37/18/85/719371885.db2.gz KNHZCWSQRYJWAL-RYUDHWBXSA-N 2 2 249.314 0.609 20 0 BCADLP COc1cc[nH+]c(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC001164667575 719371887 /nfs/dbraw/zinc/37/18/87/719371887.db2.gz KNHZCWSQRYJWAL-RYUDHWBXSA-N 2 2 249.314 0.609 20 0 BCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000036999415 262782622 /nfs/dbraw/zinc/78/26/22/262782622.db2.gz XQEVGOFTPCKMSZ-VWYCJHECSA-N 2 2 238.335 0.761 20 0 BCADLP CC[N@@H+]1CCN(CCn2cc[nH+]c2)C[C@@H]1C ZINC000677987647 488169496 /nfs/dbraw/zinc/16/94/96/488169496.db2.gz CKUKXVSYXDAFFW-LBPRGKRZSA-N 2 2 222.336 0.909 20 0 BCADLP CC[N@H+]1CCN(CCn2cc[nH+]c2)C[C@@H]1C ZINC000677987647 488169500 /nfs/dbraw/zinc/16/95/00/488169500.db2.gz CKUKXVSYXDAFFW-LBPRGKRZSA-N 2 2 222.336 0.909 20 0 BCADLP CCC(CC)(C[NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000044763518 168321974 /nfs/dbraw/zinc/32/19/74/168321974.db2.gz BWWOOVXEHANGNP-UHFFFAOYSA-N 2 2 238.335 0.764 20 0 BCADLP C[NH+]1CCC([NH2+]C2COCCOC2)CC1 ZINC000379945239 398177956 /nfs/dbraw/zinc/17/79/56/398177956.db2.gz IWPMTSWFCYTPBV-UHFFFAOYSA-N 2 2 214.309 0.086 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)C(C)C ZINC000380100815 398186038 /nfs/dbraw/zinc/18/60/38/398186038.db2.gz XGRAUVCIQQINJI-CHWSQXEVSA-N 2 2 246.395 0.902 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)C(C)C ZINC000380100815 398186041 /nfs/dbraw/zinc/18/60/41/398186041.db2.gz XGRAUVCIQQINJI-CHWSQXEVSA-N 2 2 246.395 0.902 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)C(C)C ZINC000380100815 398186044 /nfs/dbraw/zinc/18/60/44/398186044.db2.gz XGRAUVCIQQINJI-CHWSQXEVSA-N 2 2 246.395 0.902 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(C)C ZINC000380100815 398186047 /nfs/dbraw/zinc/18/60/47/398186047.db2.gz XGRAUVCIQQINJI-CHWSQXEVSA-N 2 2 246.395 0.902 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1CCCO1 ZINC000381109782 398189360 /nfs/dbraw/zinc/18/93/60/398189360.db2.gz ZQICARFAXWTTJG-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1CCCO1 ZINC000381109782 398189362 /nfs/dbraw/zinc/18/93/62/398189362.db2.gz ZQICARFAXWTTJG-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H]1CCCO1 ZINC000381109782 398189365 /nfs/dbraw/zinc/18/93/65/398189365.db2.gz ZQICARFAXWTTJG-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H]1CCCO1 ZINC000381109782 398189366 /nfs/dbraw/zinc/18/93/66/398189366.db2.gz ZQICARFAXWTTJG-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP CCC[C@@H](C[NH2+]C[C@H]1C[N@H+](C)CCN1C)OC ZINC000386177549 398198905 /nfs/dbraw/zinc/19/89/05/398198905.db2.gz XOKPZBJTQFVWPW-STQMWFEESA-N 2 2 243.395 0.637 20 0 BCADLP CCC[C@@H](C[NH2+]C[C@H]1C[N@@H+](C)CCN1C)OC ZINC000386177549 398198910 /nfs/dbraw/zinc/19/89/10/398198910.db2.gz XOKPZBJTQFVWPW-STQMWFEESA-N 2 2 243.395 0.637 20 0 BCADLP C[C@@H](C(=O)Nc1nccs1)[N@H+](C)CCC[NH3+] ZINC000649410093 398209260 /nfs/dbraw/zinc/20/92/60/398209260.db2.gz OLQZBUBXTPCHEU-QMMMGPOBSA-N 2 2 242.348 0.751 20 0 BCADLP C[C@@H](C(=O)Nc1nccs1)[N@@H+](C)CCC[NH3+] ZINC000649410093 398209261 /nfs/dbraw/zinc/20/92/61/398209261.db2.gz OLQZBUBXTPCHEU-QMMMGPOBSA-N 2 2 242.348 0.751 20 0 BCADLP C[C@H](C(=O)Nc1nccs1)[N@H+](C)CCC[NH3+] ZINC000649410092 398209311 /nfs/dbraw/zinc/20/93/11/398209311.db2.gz OLQZBUBXTPCHEU-MRVPVSSYSA-N 2 2 242.348 0.751 20 0 BCADLP C[C@H](C(=O)Nc1nccs1)[N@@H+](C)CCC[NH3+] ZINC000649410092 398209314 /nfs/dbraw/zinc/20/93/14/398209314.db2.gz OLQZBUBXTPCHEU-MRVPVSSYSA-N 2 2 242.348 0.751 20 0 BCADLP Cc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nc[nH+]1 ZINC000302853279 178120911 /nfs/dbraw/zinc/12/09/11/178120911.db2.gz JVPSRUOGJBXRSG-PHIMTYICSA-N 2 2 218.304 0.783 20 0 BCADLP Cc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)nc[nH+]1 ZINC000302853279 178120912 /nfs/dbraw/zinc/12/09/12/178120912.db2.gz JVPSRUOGJBXRSG-PHIMTYICSA-N 2 2 218.304 0.783 20 0 BCADLP C[C@H](CO)CCC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336750928 398203280 /nfs/dbraw/zinc/20/32/80/398203280.db2.gz GBDLFTAHAZYDIK-SDDRHHMPSA-N 2 2 214.353 0.935 20 0 BCADLP C[C@H](CO)CCC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336750928 398203282 /nfs/dbraw/zinc/20/32/82/398203282.db2.gz GBDLFTAHAZYDIK-SDDRHHMPSA-N 2 2 214.353 0.935 20 0 BCADLP C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)n1cc[nH+]c1 ZINC000638926976 398204766 /nfs/dbraw/zinc/20/47/66/398204766.db2.gz OXGQPOKRZNPFIW-UTUOFQBUSA-N 2 2 248.330 0.797 20 0 BCADLP Cc1cc(NC(=O)C[C@@H]2COCC[NH2+]2)cc[nH+]1 ZINC000129348499 178134851 /nfs/dbraw/zinc/13/48/51/178134851.db2.gz HRFHRFFYVWVMBO-LLVKDONJSA-N 2 2 235.287 0.707 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC[NH2+]C2)C1 ZINC000649414233 398213321 /nfs/dbraw/zinc/21/33/21/398213321.db2.gz NQJYTJYZDGWIKB-OLZOCXBDSA-N 3 2 225.380 0.870 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC[NH2+]C2)C1 ZINC000649414233 398213324 /nfs/dbraw/zinc/21/33/24/398213324.db2.gz NQJYTJYZDGWIKB-OLZOCXBDSA-N 3 2 225.380 0.870 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000649414233 398213326 /nfs/dbraw/zinc/21/33/26/398213326.db2.gz NQJYTJYZDGWIKB-OLZOCXBDSA-N 3 2 225.380 0.870 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000649414233 398213327 /nfs/dbraw/zinc/21/33/27/398213327.db2.gz NQJYTJYZDGWIKB-OLZOCXBDSA-N 3 2 225.380 0.870 20 0 BCADLP [NH3+]CC[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000649411839 398214408 /nfs/dbraw/zinc/21/44/08/398214408.db2.gz IMTQPMRDKASTHL-UHFFFAOYSA-N 2 2 235.335 0.362 20 0 BCADLP Cc1cc(C)n(CC[N@@H+]2CCC[C@@H]2C[NH3+])n1 ZINC000386782387 398219827 /nfs/dbraw/zinc/21/98/27/398219827.db2.gz MNJPJNOVELICGT-GFCCVEGCSA-N 2 2 222.336 0.923 20 0 BCADLP Cc1cc(C)n(CC[N@H+]2CCC[C@@H]2C[NH3+])n1 ZINC000386782387 398219829 /nfs/dbraw/zinc/21/98/29/398219829.db2.gz MNJPJNOVELICGT-GFCCVEGCSA-N 2 2 222.336 0.923 20 0 BCADLP Cc1cc(C)n(CC[N@@H+]2CC[C@@H]([NH3+])C2)n1 ZINC000386749319 398218789 /nfs/dbraw/zinc/21/87/89/398218789.db2.gz GDUWSSCYFYIJON-LLVKDONJSA-N 2 2 208.309 0.533 20 0 BCADLP Cc1cc(C)n(CC[N@H+]2CC[C@@H]([NH3+])C2)n1 ZINC000386749319 398218793 /nfs/dbraw/zinc/21/87/93/398218793.db2.gz GDUWSSCYFYIJON-LLVKDONJSA-N 2 2 208.309 0.533 20 0 BCADLP Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC[NH3+] ZINC000649414318 398212715 /nfs/dbraw/zinc/21/27/15/398212715.db2.gz STTBLUSOHZJHDA-NSHDSACASA-N 2 2 208.309 0.824 20 0 BCADLP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC[NH3+] ZINC000649414318 398212718 /nfs/dbraw/zinc/21/27/18/398212718.db2.gz STTBLUSOHZJHDA-NSHDSACASA-N 2 2 208.309 0.824 20 0 BCADLP c1cnc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cn1 ZINC000649411573 398213219 /nfs/dbraw/zinc/21/32/19/398213219.db2.gz HNEDABKPNXNMRR-LBPRGKRZSA-N 2 2 247.346 0.208 20 0 BCADLP C[C@@H](O)[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000387085659 398225383 /nfs/dbraw/zinc/22/53/83/398225383.db2.gz ZOMNQNIUMAIFKT-RKDXNWHRSA-N 2 2 226.324 0.345 20 0 BCADLP Cc1cc(NC[C@H]2C[N@@H+](C)CCN2C)nc(C)[nH+]1 ZINC000068806331 178170678 /nfs/dbraw/zinc/17/06/78/178170678.db2.gz UMFFLKZVVAJPLZ-LBPRGKRZSA-N 2 2 249.362 0.751 20 0 BCADLP Cc1cc(NC[C@H]2C[N@H+](C)CCN2C)nc(C)[nH+]1 ZINC000068806331 178170681 /nfs/dbraw/zinc/17/06/81/178170681.db2.gz UMFFLKZVVAJPLZ-LBPRGKRZSA-N 2 2 249.362 0.751 20 0 BCADLP Cc1cc(NC[C@H]2CN(C)CC[N@@H+]2C)nc(C)[nH+]1 ZINC000068806331 178170682 /nfs/dbraw/zinc/17/06/82/178170682.db2.gz UMFFLKZVVAJPLZ-LBPRGKRZSA-N 2 2 249.362 0.751 20 0 BCADLP Cc1cc(NC[C@H]2CN(C)CC[N@H+]2C)nc(C)[nH+]1 ZINC000068806331 178170685 /nfs/dbraw/zinc/17/06/85/178170685.db2.gz UMFFLKZVVAJPLZ-LBPRGKRZSA-N 2 2 249.362 0.751 20 0 BCADLP Cn1cc(CC[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cn1 ZINC000649419570 398220707 /nfs/dbraw/zinc/22/07/07/398220707.db2.gz WIBQOWFGDBQRFM-OLZOCXBDSA-N 2 2 234.347 0.646 20 0 BCADLP Cn1cc(CC[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cn1 ZINC000649419570 398220708 /nfs/dbraw/zinc/22/07/08/398220708.db2.gz WIBQOWFGDBQRFM-OLZOCXBDSA-N 2 2 234.347 0.646 20 0 BCADLP CC[N@H+](C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000280237948 538937384 /nfs/dbraw/zinc/93/73/84/538937384.db2.gz SWFKUUIHFMTHEI-UHFFFAOYSA-N 2 2 224.308 0.410 20 0 BCADLP CC[N@@H+](C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000280237948 538937385 /nfs/dbraw/zinc/93/73/85/538937385.db2.gz SWFKUUIHFMTHEI-UHFFFAOYSA-N 2 2 224.308 0.410 20 0 BCADLP CC[N@H+](C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000280237948 538937386 /nfs/dbraw/zinc/93/73/86/538937386.db2.gz SWFKUUIHFMTHEI-UHFFFAOYSA-N 2 2 224.308 0.410 20 0 BCADLP CC[N@@H+](C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000280237948 538937387 /nfs/dbraw/zinc/93/73/87/538937387.db2.gz SWFKUUIHFMTHEI-UHFFFAOYSA-N 2 2 224.308 0.410 20 0 BCADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)C(C)C ZINC000073644887 343991169 /nfs/dbraw/zinc/99/11/69/343991169.db2.gz UUKFYWWUXWEYDC-UHFFFAOYSA-N 2 2 238.335 0.730 20 0 BCADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C(C)C ZINC000073644887 343991172 /nfs/dbraw/zinc/99/11/72/343991172.db2.gz UUKFYWWUXWEYDC-UHFFFAOYSA-N 2 2 238.335 0.730 20 0 BCADLP Cc1noc(C2CC[NH+](C[C@H](C)[NH3+])CC2)n1 ZINC000442659982 398242937 /nfs/dbraw/zinc/24/29/37/398242937.db2.gz CJNVVDWTZLMSNP-QMMMGPOBSA-N 2 2 224.308 0.905 20 0 BCADLP CCNC(=O)C[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000390759442 398245574 /nfs/dbraw/zinc/24/55/74/398245574.db2.gz LFSDWXNTSZMPKN-LLVKDONJSA-N 2 2 213.325 0.054 20 0 BCADLP CCNC(=O)C[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000390759442 398245575 /nfs/dbraw/zinc/24/55/75/398245575.db2.gz LFSDWXNTSZMPKN-LLVKDONJSA-N 2 2 213.325 0.054 20 0 BCADLP C[C@@]1(C[NH2+]Cc2nnc3ccccn32)CC[NH2+]C1 ZINC000576636450 365644728 /nfs/dbraw/zinc/64/47/28/365644728.db2.gz FZDJUCHSBDSLNU-CYBMUJFWSA-N 2 2 245.330 0.819 20 0 BCADLP [NH3+]CCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000565046542 323006028 /nfs/dbraw/zinc/00/60/28/323006028.db2.gz MGMYTADLQULMNQ-UHFFFAOYSA-N 3 2 208.309 0.869 20 0 BCADLP [NH3+][C@H](C(=O)NC[C@H]1CCC[NH2+]1)c1cscn1 ZINC000576696206 365659564 /nfs/dbraw/zinc/65/95/64/365659564.db2.gz FPBADAKPQNEPGC-APPZFPTMSA-N 2 2 240.332 0.011 20 0 BCADLP CO[C@]1(C[NH2+]CCn2cc[nH+]c2)CCOC1 ZINC000386249785 398264013 /nfs/dbraw/zinc/26/40/13/398264013.db2.gz RGEZQCXOAIGNCL-NSHDSACASA-N 2 2 225.292 0.278 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1[nH+]ccn1C ZINC000165447208 361840061 /nfs/dbraw/zinc/84/00/61/361840061.db2.gz JHMNWAKSYXCTBR-HTQZYQBOSA-N 2 2 210.281 0.020 20 0 BCADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(N)=O ZINC000037261311 538962375 /nfs/dbraw/zinc/96/23/75/538962375.db2.gz UZJIJTYPKSZLMD-SNVBAGLBSA-N 2 2 248.330 0.514 20 0 BCADLP C[N@H+](CC(=O)N1CCn2c[nH+]cc2C1)C1CCC1 ZINC000629995212 361878748 /nfs/dbraw/zinc/87/87/48/361878748.db2.gz XTBQTZMMYKJKPF-UHFFFAOYSA-N 2 2 248.330 0.710 20 0 BCADLP C[N@@H+](CC(=O)N1CCn2c[nH+]cc2C1)C1CCC1 ZINC000629995212 361878751 /nfs/dbraw/zinc/87/87/51/361878751.db2.gz XTBQTZMMYKJKPF-UHFFFAOYSA-N 2 2 248.330 0.710 20 0 BCADLP CSC[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000400007453 398290288 /nfs/dbraw/zinc/29/02/88/398290288.db2.gz SPSWSKOCLROYCW-QWRGUYRKSA-N 2 2 230.377 0.802 20 0 BCADLP CSC[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000400007453 398290291 /nfs/dbraw/zinc/29/02/91/398290291.db2.gz SPSWSKOCLROYCW-QWRGUYRKSA-N 2 2 230.377 0.802 20 0 BCADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000042589364 538978032 /nfs/dbraw/zinc/97/80/32/538978032.db2.gz HJFDPKMSKKMEAK-LBPRGKRZSA-N 2 2 241.379 0.785 20 0 BCADLP O[C@@H]1CC[N@H+](CCNc2[nH]c3ccccc3[nH+]2)C1 ZINC000624678850 342818267 /nfs/dbraw/zinc/81/82/67/342818267.db2.gz RVUXXTBRWBCPCM-SNVBAGLBSA-N 2 2 246.314 0.463 20 0 BCADLP O[C@@H]1CC[N@@H+](CCNc2[nH]c3ccccc3[nH+]2)C1 ZINC000624678850 342818268 /nfs/dbraw/zinc/81/82/68/342818268.db2.gz RVUXXTBRWBCPCM-SNVBAGLBSA-N 2 2 246.314 0.463 20 0 BCADLP C[NH2+]CC(=O)Nc1ccc(-c2[nH+]ccn2C)cn1 ZINC000630053551 361923296 /nfs/dbraw/zinc/92/32/96/361923296.db2.gz VSFCZROHJVBKLG-UHFFFAOYSA-N 2 2 245.286 0.640 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)O ZINC000380241924 538988129 /nfs/dbraw/zinc/98/81/29/538988129.db2.gz NJYXWMWZJUPUOP-MWLCHTKSSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)O ZINC000380241924 538988131 /nfs/dbraw/zinc/98/81/31/538988131.db2.gz NJYXWMWZJUPUOP-MWLCHTKSSA-N 2 2 212.337 0.830 20 0 BCADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1cn[nH]c1)CC2 ZINC000381444888 539000728 /nfs/dbraw/zinc/00/07/28/539000728.db2.gz FOAVJBKMIHGAIH-JTQLQIEISA-N 2 2 217.276 0.711 20 0 BCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCOC1 ZINC000449394292 398294928 /nfs/dbraw/zinc/29/49/28/398294928.db2.gz NNPUHOYIMCVFNT-QWHCGFSZSA-N 2 2 242.363 0.602 20 0 BCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCOC1 ZINC000449394292 398294929 /nfs/dbraw/zinc/29/49/29/398294929.db2.gz NNPUHOYIMCVFNT-QWHCGFSZSA-N 2 2 242.363 0.602 20 0 BCADLP C[N@@H+]1CCO[C@@H](CNc2cc[nH+]cc2F)C1 ZINC000381295576 538997780 /nfs/dbraw/zinc/99/77/80/538997780.db2.gz GFSDCOVNGXHMCA-VIFPVBQESA-N 2 2 225.267 0.385 20 0 BCADLP C[N@H+]1CCO[C@@H](CNc2cc[nH+]cc2F)C1 ZINC000381295576 538997781 /nfs/dbraw/zinc/99/77/81/538997781.db2.gz GFSDCOVNGXHMCA-VIFPVBQESA-N 2 2 225.267 0.385 20 0 BCADLP c1c[nH+]c(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)[nH]1 ZINC000640754866 361993318 /nfs/dbraw/zinc/99/33/18/361993318.db2.gz QLUJVPCIPWZWMY-SECBINFHSA-N 2 2 232.291 0.202 20 0 BCADLP Cc1nn(C)cc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000335644897 136243315 /nfs/dbraw/zinc/24/33/15/136243315.db2.gz XNGNWKXKQAHRJO-LBPRGKRZSA-N 2 2 222.336 0.960 20 0 BCADLP COC(=O)[C@](C)([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000536605923 398304037 /nfs/dbraw/zinc/30/40/37/398304037.db2.gz PPZYKZWUUJPJBQ-GFCCVEGCSA-N 2 2 237.303 0.814 20 0 BCADLP O=C1CC[C@@H](C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)N1 ZINC000649510328 398304376 /nfs/dbraw/zinc/30/43/76/398304376.db2.gz AABBMYBHMIBLAG-RYUDHWBXSA-N 2 2 248.330 0.799 20 0 BCADLP O=C1CC[C@@H](C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)N1 ZINC000649510328 398304377 /nfs/dbraw/zinc/30/43/77/398304377.db2.gz AABBMYBHMIBLAG-RYUDHWBXSA-N 2 2 248.330 0.799 20 0 BCADLP C[N@@H+]1CCN(C(=O)[C@H]2CC2(C)C)[C@H](C[NH3+])C1 ZINC000300215315 259326948 /nfs/dbraw/zinc/32/69/48/259326948.db2.gz ZGDNYBFYYFNDIJ-NXEZZACHSA-N 2 2 225.336 0.134 20 0 BCADLP C[N@H+]1CCN(C(=O)[C@H]2CC2(C)C)[C@H](C[NH3+])C1 ZINC000300215315 259326949 /nfs/dbraw/zinc/32/69/49/259326949.db2.gz ZGDNYBFYYFNDIJ-NXEZZACHSA-N 2 2 225.336 0.134 20 0 BCADLP c1cn(CCC[NH2+]Cc2cn[nH]c2)c[nH+]1 ZINC000308866496 342874499 /nfs/dbraw/zinc/87/44/99/342874499.db2.gz XCOWOGGOUAKVHM-UHFFFAOYSA-N 2 2 205.265 0.786 20 0 BCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCC[C@H]1O ZINC000333784433 398317101 /nfs/dbraw/zinc/31/71/01/398317101.db2.gz FDEHLRBYMNBKLQ-UMSGYPCISA-N 2 2 242.363 0.647 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000167343949 136245676 /nfs/dbraw/zinc/24/56/76/136245676.db2.gz NNNASQUQBOHCHI-VHSXEESVSA-N 2 2 225.336 0.337 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000167343949 136245677 /nfs/dbraw/zinc/24/56/77/136245677.db2.gz NNNASQUQBOHCHI-VHSXEESVSA-N 2 2 225.336 0.337 20 0 BCADLP CSC[C@@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000300769027 259328008 /nfs/dbraw/zinc/32/80/08/259328008.db2.gz XWPSZPZJHPQHRE-NXEZZACHSA-N 2 2 245.392 0.087 20 0 BCADLP CSC[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000300769027 259328010 /nfs/dbraw/zinc/32/80/10/259328010.db2.gz XWPSZPZJHPQHRE-NXEZZACHSA-N 2 2 245.392 0.087 20 0 BCADLP CC[NH+]1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000074726816 344008716 /nfs/dbraw/zinc/00/87/16/344008716.db2.gz OHESFLKKJAVLFP-UHFFFAOYSA-N 2 2 236.319 0.506 20 0 BCADLP CC[NH+]1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000074726816 344008719 /nfs/dbraw/zinc/00/87/19/344008719.db2.gz OHESFLKKJAVLFP-UHFFFAOYSA-N 2 2 236.319 0.506 20 0 BCADLP Cn1ccnc1C[NH2+]CCc1c[nH+]cn1C ZINC000401730766 342926570 /nfs/dbraw/zinc/92/65/70/342926570.db2.gz UHQLWXQRUVMYOT-UHFFFAOYSA-N 2 2 219.292 0.486 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CCC[NH3+] ZINC000036999427 342915140 /nfs/dbraw/zinc/91/51/40/342915140.db2.gz KXGNXRMAOOQJHR-VIFPVBQESA-N 2 2 210.281 0.127 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@H](C)[NH3+] ZINC000037476464 398327954 /nfs/dbraw/zinc/32/79/54/398327954.db2.gz LOGDWRXFBPRCRL-DTWKUNHWSA-N 2 2 210.281 0.125 20 0 BCADLP COCCN1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000328209145 346901463 /nfs/dbraw/zinc/90/14/63/346901463.db2.gz UWOJPIRGKSZGJU-OLZOCXBDSA-N 2 2 241.379 0.391 20 0 BCADLP COCCN1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000328209145 346901466 /nfs/dbraw/zinc/90/14/66/346901466.db2.gz UWOJPIRGKSZGJU-OLZOCXBDSA-N 2 2 241.379 0.391 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000493085612 529552044 /nfs/dbraw/zinc/55/20/44/529552044.db2.gz CMXWCDWPKAMCMU-NNOMMRTBSA-N 2 2 248.330 0.864 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)NCC1([NH3+])CCC1 ZINC000493220643 529554249 /nfs/dbraw/zinc/55/42/49/529554249.db2.gz HXLIEVACPCQNNB-SNAWJCMRSA-N 2 2 248.330 0.914 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000493081432 529555877 /nfs/dbraw/zinc/55/58/77/529555877.db2.gz HARNQNCGUOCZPV-FQNVXPIYSA-N 2 2 236.319 0.768 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N(C)[C@@H](C)C[NH3+] ZINC000493846383 529557333 /nfs/dbraw/zinc/55/73/33/529557333.db2.gz OKHBZLKQFFCJSO-OMMCCPJFSA-N 2 2 236.319 0.722 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N(C)CC[NH2+]C ZINC000493536342 529557353 /nfs/dbraw/zinc/55/73/53/529557353.db2.gz ZNUWTVGBUNTMLY-WAYWQWQTSA-N 2 2 236.319 0.594 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N[C@H](C[NH3+])C1CC1 ZINC000493057911 529560571 /nfs/dbraw/zinc/56/05/71/529560571.db2.gz VTKLNCUMSOAUMZ-ISALQUGTSA-N 2 2 248.330 0.770 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N(C)[C@@H](C)C[NH3+] ZINC000493846609 529549537 /nfs/dbraw/zinc/54/95/37/529549537.db2.gz OKHBZLKQFFCJSO-PORFMDCZSA-N 2 2 236.319 0.722 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N[C@H]1CCC[NH2+]C1 ZINC000493662038 529561330 /nfs/dbraw/zinc/56/13/30/529561330.db2.gz WNEFAMJLQUFATN-GZTOBOFZSA-N 2 2 248.330 0.784 20 0 BCADLP CC[C@H](CO)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000162602497 349765521 /nfs/dbraw/zinc/76/55/21/349765521.db2.gz ZENHJIDROXTYSW-MXWKQRLJSA-N 2 2 212.337 0.972 20 0 BCADLP CC[C@H](CO)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000162602497 349765524 /nfs/dbraw/zinc/76/55/24/349765524.db2.gz ZENHJIDROXTYSW-MXWKQRLJSA-N 2 2 212.337 0.972 20 0 BCADLP CCN(C#N)CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000602843095 349780443 /nfs/dbraw/zinc/78/04/43/349780443.db2.gz ZCKROPZJDQFINN-CYBMUJFWSA-N 2 2 236.363 0.817 20 0 BCADLP CCN(C#N)CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000602843095 349780444 /nfs/dbraw/zinc/78/04/44/349780444.db2.gz ZCKROPZJDQFINN-CYBMUJFWSA-N 2 2 236.363 0.817 20 0 BCADLP CCN(C#N)CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000602843095 349780446 /nfs/dbraw/zinc/78/04/46/349780446.db2.gz ZCKROPZJDQFINN-CYBMUJFWSA-N 2 2 236.363 0.817 20 0 BCADLP CCN(C#N)CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000602843095 349780447 /nfs/dbraw/zinc/78/04/47/349780447.db2.gz ZCKROPZJDQFINN-CYBMUJFWSA-N 2 2 236.363 0.817 20 0 BCADLP CC(C)C(=O)NCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386433396 343056977 /nfs/dbraw/zinc/05/69/77/343056977.db2.gz LRRUKPJEXCATTA-VXGBXAGGSA-N 2 2 241.379 0.879 20 0 BCADLP CC(C)C(=O)NCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386433373 343057025 /nfs/dbraw/zinc/05/70/25/343057025.db2.gz LRRUKPJEXCATTA-NWDGAFQWSA-N 2 2 241.379 0.879 20 0 BCADLP CO[C@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000623837579 343088178 /nfs/dbraw/zinc/08/81/78/343088178.db2.gz KVAPCNRUMWZTLZ-AGIUHOORSA-N 2 2 242.363 0.600 20 0 BCADLP CO[C@H]1CCC[C@@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000623837579 343088179 /nfs/dbraw/zinc/08/81/79/343088179.db2.gz KVAPCNRUMWZTLZ-AGIUHOORSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]CCC(N)=O ZINC000049501019 343110444 /nfs/dbraw/zinc/11/04/44/343110444.db2.gz CEESZVDUJRMHES-JTQLQIEISA-N 2 2 213.325 0.326 20 0 BCADLP CC[C@H]1C[N@H+](C)CCN1CC[NH+]1CCOCC1 ZINC000576868463 365709159 /nfs/dbraw/zinc/70/91/59/365709159.db2.gz ZXTDCQWYQXOELZ-ZDUSSCGKSA-N 2 2 241.379 0.345 20 0 BCADLP CC[C@H]1C[N@@H+](C)CCN1CC[NH+]1CCOCC1 ZINC000576868463 365709164 /nfs/dbraw/zinc/70/91/64/365709164.db2.gz ZXTDCQWYQXOELZ-ZDUSSCGKSA-N 2 2 241.379 0.345 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCCC[NH3+])C[N@@H+]1C1CC1 ZINC000229934465 136273851 /nfs/dbraw/zinc/27/38/51/136273851.db2.gz BUFJRTIURZXREK-MNOVXSKESA-N 3 2 211.353 0.940 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NC1CCCC1 ZINC000124585969 343163483 /nfs/dbraw/zinc/16/34/83/343163483.db2.gz ZYAIFNHCVWWOKP-WDEREUQCSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NC1CCCC1 ZINC000124585969 343163485 /nfs/dbraw/zinc/16/34/85/343163485.db2.gz ZYAIFNHCVWWOKP-WDEREUQCSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCCC[NH3+])C[N@H+]1C1CC1 ZINC000229934465 136273852 /nfs/dbraw/zinc/27/38/52/136273852.db2.gz BUFJRTIURZXREK-MNOVXSKESA-N 3 2 211.353 0.940 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccn(C)n1 ZINC000123998966 343166714 /nfs/dbraw/zinc/16/67/14/343166714.db2.gz VFXUXLSBNKPFHJ-UWVGGRQHSA-N 2 2 208.309 0.732 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccn(C)n1 ZINC000123998966 343166715 /nfs/dbraw/zinc/16/67/15/343166715.db2.gz VFXUXLSBNKPFHJ-UWVGGRQHSA-N 2 2 208.309 0.732 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000133620010 343185665 /nfs/dbraw/zinc/18/56/65/343185665.db2.gz FKGLDNGIHHNMKJ-VHSXEESVSA-N 2 2 213.325 0.324 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000133620010 343185667 /nfs/dbraw/zinc/18/56/67/343185667.db2.gz FKGLDNGIHHNMKJ-VHSXEESVSA-N 2 2 213.325 0.324 20 0 BCADLP [NH3+]C1(C(=O)NCCCCn2cc[nH+]c2)CCC1 ZINC000148198044 343195899 /nfs/dbraw/zinc/19/58/99/343195899.db2.gz OPVAWMYZTNRAKO-UHFFFAOYSA-N 2 2 236.319 0.661 20 0 BCADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000149117046 343196663 /nfs/dbraw/zinc/19/66/63/343196663.db2.gz PZBMAKLJVNBBNB-KOLCDFICSA-N 2 2 225.336 0.134 20 0 BCADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000149117046 343196666 /nfs/dbraw/zinc/19/66/66/343196666.db2.gz PZBMAKLJVNBBNB-KOLCDFICSA-N 2 2 225.336 0.134 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634683747 343205832 /nfs/dbraw/zinc/20/58/32/343205832.db2.gz YWKYIBALUOJTAH-LBPRGKRZSA-N 2 2 244.379 0.848 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634683747 343205834 /nfs/dbraw/zinc/20/58/34/343205834.db2.gz YWKYIBALUOJTAH-LBPRGKRZSA-N 2 2 244.379 0.848 20 0 BCADLP CC[N@H+](C[C@H]1CCCO1)C[C@@H]1C[NH2+]CCO1 ZINC000043802682 488208835 /nfs/dbraw/zinc/20/88/35/488208835.db2.gz NEYZOPKYPVYAFT-NEPJUHHUSA-N 2 2 228.336 0.476 20 0 BCADLP CC[N@@H+](C[C@H]1CCCO1)C[C@@H]1C[NH2+]CCO1 ZINC000043802682 488208837 /nfs/dbraw/zinc/20/88/37/488208837.db2.gz NEYZOPKYPVYAFT-NEPJUHHUSA-N 2 2 228.336 0.476 20 0 BCADLP C[NH2+]Cc1cn(Cc2cc(OC)cc[nH+]2)nn1 ZINC000641031214 362144098 /nfs/dbraw/zinc/14/40/98/362144098.db2.gz YBUJQMJBLNLFIA-UHFFFAOYSA-N 2 2 233.275 0.449 20 0 BCADLP CC[NH2+]Cc1cn(Cc2cc(OC)cc[nH+]2)nn1 ZINC000641030900 362144643 /nfs/dbraw/zinc/14/46/43/362144643.db2.gz OIMALLIYNBJGOW-UHFFFAOYSA-N 2 2 247.302 0.840 20 0 BCADLP Cn1nccc1CC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000634687879 343245092 /nfs/dbraw/zinc/24/50/92/343245092.db2.gz BTMIJNHMQQLXDX-AAEUAGOBSA-N 2 2 234.347 0.646 20 0 BCADLP Cn1nccc1CC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000634687879 343245094 /nfs/dbraw/zinc/24/50/94/343245094.db2.gz BTMIJNHMQQLXDX-AAEUAGOBSA-N 2 2 234.347 0.646 20 0 BCADLP c1[nH]cc(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)[nH+]1 ZINC000641035585 362147659 /nfs/dbraw/zinc/14/76/59/362147659.db2.gz PYAMDNQZRDZBII-SECBINFHSA-N 2 2 232.291 0.517 20 0 BCADLP c1[nH]cc(Cn2cc([C@H]3CCC[NH2+]C3)nn2)[nH+]1 ZINC000641035586 362148050 /nfs/dbraw/zinc/14/80/50/362148050.db2.gz PYAMDNQZRDZBII-VIFPVBQESA-N 2 2 232.291 0.517 20 0 BCADLP CC(C)[C@H](C)[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000043802272 488209104 /nfs/dbraw/zinc/20/91/04/488209104.db2.gz BJNOBEZSNBBHPC-QWRGUYRKSA-N 2 2 200.326 0.951 20 0 BCADLP CC(C)[C@H](C)[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000043802272 488209106 /nfs/dbraw/zinc/20/91/06/488209106.db2.gz BJNOBEZSNBBHPC-QWRGUYRKSA-N 2 2 200.326 0.951 20 0 BCADLP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC000569803090 323041030 /nfs/dbraw/zinc/04/10/30/323041030.db2.gz BPXPRMZTOOALFS-WDEREUQCSA-N 2 2 216.325 0.068 20 0 BCADLP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC000569803090 323041031 /nfs/dbraw/zinc/04/10/31/323041031.db2.gz BPXPRMZTOOALFS-WDEREUQCSA-N 2 2 216.325 0.068 20 0 BCADLP Cc1cnc(CC[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)nc1 ZINC000340107500 136286222 /nfs/dbraw/zinc/28/62/22/136286222.db2.gz FCIILGCZASCVRD-VXGBXAGGSA-N 2 2 234.347 0.867 20 0 BCADLP Cc1cnc(CC[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)nc1 ZINC000340107500 136286223 /nfs/dbraw/zinc/28/62/23/136286223.db2.gz FCIILGCZASCVRD-VXGBXAGGSA-N 2 2 234.347 0.867 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000348757252 136297211 /nfs/dbraw/zinc/29/72/11/136297211.db2.gz SYWYZVOERHAPAE-LBPRGKRZSA-N 3 2 238.335 0.241 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000348757252 136297212 /nfs/dbraw/zinc/29/72/12/136297212.db2.gz SYWYZVOERHAPAE-LBPRGKRZSA-N 3 2 238.335 0.241 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCCC[NH2+]1 ZINC000036999320 343330051 /nfs/dbraw/zinc/33/00/51/343330051.db2.gz JVYRBNWAIPAAJH-GHMZBOCLSA-N 2 2 236.319 0.530 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000348757251 136297349 /nfs/dbraw/zinc/29/73/49/136297349.db2.gz SYWYZVOERHAPAE-GFCCVEGCSA-N 3 2 238.335 0.241 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000348757251 136297350 /nfs/dbraw/zinc/29/73/50/136297350.db2.gz SYWYZVOERHAPAE-GFCCVEGCSA-N 3 2 238.335 0.241 20 0 BCADLP CC(C)[C@H]([NH3+])c1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000641054451 362162875 /nfs/dbraw/zinc/16/28/75/362162875.db2.gz ZOVFSSVHNTUMCD-NSHDSACASA-N 2 2 234.307 0.716 20 0 BCADLP CC[C@](C)([NH3+])c1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000641053781 362163873 /nfs/dbraw/zinc/16/38/73/362163873.db2.gz NUWMSJLSRZSHKP-NSHDSACASA-N 2 2 234.307 0.644 20 0 BCADLP Cc1c(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cnn1C ZINC000335635444 136300912 /nfs/dbraw/zinc/30/09/12/136300912.db2.gz LLKWXSWZDUCIGU-CABZTGNLSA-N 2 2 222.336 0.816 20 0 BCADLP CC(C)[N@H+](C)CC[NH2+]CC1(C)COC1 ZINC000070617501 343335677 /nfs/dbraw/zinc/33/56/77/343335677.db2.gz ISOPEVPTBSYVDY-UHFFFAOYSA-N 2 2 200.326 0.953 20 0 BCADLP CC(C)[N@@H+](C)CC[NH2+]CC1(C)COC1 ZINC000070617501 343335679 /nfs/dbraw/zinc/33/56/79/343335679.db2.gz ISOPEVPTBSYVDY-UHFFFAOYSA-N 2 2 200.326 0.953 20 0 BCADLP C[C@@H]([NH3+])C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000367062460 136302531 /nfs/dbraw/zinc/30/25/31/136302531.db2.gz NBAOTLSRJIPGPC-MNOVXSKESA-N 2 2 248.330 0.514 20 0 BCADLP C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000584087208 343377939 /nfs/dbraw/zinc/37/79/39/343377939.db2.gz RAXWAFUZPUYPNQ-WDEREUQCSA-N 2 2 236.319 0.482 20 0 BCADLP C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC000584087208 343377942 /nfs/dbraw/zinc/37/79/42/343377942.db2.gz RAXWAFUZPUYPNQ-WDEREUQCSA-N 2 2 236.319 0.482 20 0 BCADLP Cc1n[nH]cc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000335644270 136303733 /nfs/dbraw/zinc/30/37/33/136303733.db2.gz RNSHDFOHPVQPAF-LLVKDONJSA-N 2 2 208.309 0.950 20 0 BCADLP Cn1c[nH+]cc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335669733 136312481 /nfs/dbraw/zinc/31/24/81/136312481.db2.gz JOUXWJBOLQSOQZ-ZDUSSCGKSA-N 2 2 234.347 0.996 20 0 BCADLP Cn1cncc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335669733 136312482 /nfs/dbraw/zinc/31/24/82/136312482.db2.gz JOUXWJBOLQSOQZ-ZDUSSCGKSA-N 2 2 234.347 0.996 20 0 BCADLP Cn1cncc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335669733 136312483 /nfs/dbraw/zinc/31/24/83/136312483.db2.gz JOUXWJBOLQSOQZ-ZDUSSCGKSA-N 2 2 234.347 0.996 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)CC1([NH3+])CC1 ZINC000398181063 488214023 /nfs/dbraw/zinc/21/40/23/488214023.db2.gz OHFYDCCFULLPRX-UHFFFAOYSA-N 2 2 205.261 0.632 20 0 BCADLP CSCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602876207 349807311 /nfs/dbraw/zinc/80/73/11/349807311.db2.gz GABGCEXNSFPOSM-LLVKDONJSA-N 2 2 232.393 0.738 20 0 BCADLP CSCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602876207 349807314 /nfs/dbraw/zinc/80/73/14/349807314.db2.gz GABGCEXNSFPOSM-LLVKDONJSA-N 2 2 232.393 0.738 20 0 BCADLP c1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)on1 ZINC000310290071 343411030 /nfs/dbraw/zinc/41/10/30/343411030.db2.gz NKWMBDPEUTUKIT-NSHDSACASA-N 2 2 236.319 0.154 20 0 BCADLP CC[NH+]1CCC([NH2+]CCn2cc[nH+]c2)CC1 ZINC000041041869 343413586 /nfs/dbraw/zinc/41/35/86/343413586.db2.gz UQJDPRRCMXERRK-UHFFFAOYSA-N 3 2 222.336 0.957 20 0 BCADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnnn1C ZINC000349411422 136345067 /nfs/dbraw/zinc/34/50/67/136345067.db2.gz WXQIDUSRPIXDMY-UHFFFAOYSA-N 2 2 239.367 0.979 20 0 BCADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnnn1C ZINC000349411422 136345068 /nfs/dbraw/zinc/34/50/68/136345068.db2.gz WXQIDUSRPIXDMY-UHFFFAOYSA-N 2 2 239.367 0.979 20 0 BCADLP Cc1cc(Cn2cc(COCC[NH3+])nn2)cc[nH+]1 ZINC000641087688 362210173 /nfs/dbraw/zinc/21/01/73/362210173.db2.gz BMQFFCITIXVOIE-UHFFFAOYSA-N 2 2 247.302 0.505 20 0 BCADLP C[C@H](CS(C)(=O)=O)[NH2+][C@@H](C)CC[NH+](C)C ZINC000081900908 343434008 /nfs/dbraw/zinc/43/40/08/343434008.db2.gz FBOMVVZNLZZLBQ-VHSXEESVSA-N 2 2 236.381 0.349 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cn1 ZINC000335889269 136358545 /nfs/dbraw/zinc/35/85/45/136358545.db2.gz LFVCIEOCZNOFIB-OLZOCXBDSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cn1 ZINC000335889269 136358546 /nfs/dbraw/zinc/35/85/46/136358546.db2.gz LFVCIEOCZNOFIB-OLZOCXBDSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cn1 ZINC000335889269 136358547 /nfs/dbraw/zinc/35/85/47/136358547.db2.gz LFVCIEOCZNOFIB-OLZOCXBDSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cn1 ZINC000335889269 136358548 /nfs/dbraw/zinc/35/85/48/136358548.db2.gz LFVCIEOCZNOFIB-OLZOCXBDSA-N 2 2 234.347 0.946 20 0 BCADLP C[C@@H](C[NH2+]C[C@H]1CCCOC1)[NH+](C)C ZINC000082581122 343452381 /nfs/dbraw/zinc/45/23/81/343452381.db2.gz KIZWYVGAAIXQQP-WDEREUQCSA-N 2 2 200.326 0.953 20 0 BCADLP CC[NH2+]CCCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000570041385 323048136 /nfs/dbraw/zinc/04/81/36/323048136.db2.gz RTQXQWMPMPHEEQ-SECBINFHSA-N 2 2 242.348 0.259 20 0 BCADLP CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351114042 136367883 /nfs/dbraw/zinc/36/78/83/136367883.db2.gz JPUWETJXFVCODU-BJDJZHNGSA-N 2 2 239.363 0.700 20 0 BCADLP C[C@@H](CNC(=O)C[NH+]1CC(C)(C)C1)[NH+](C)C ZINC000616489376 343475991 /nfs/dbraw/zinc/47/59/91/343475991.db2.gz ZSUVIZJNOVJATD-JTQLQIEISA-N 2 2 227.352 0.395 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccoc1 ZINC000580550947 365755463 /nfs/dbraw/zinc/75/54/63/365755463.db2.gz KQQRECLMVIMZKG-MWLCHTKSSA-N 2 2 210.277 0.919 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](OC)C1 ZINC000379964303 365767186 /nfs/dbraw/zinc/76/71/86/365767186.db2.gz HMRQNRSDBLQGSP-QWRGUYRKSA-N 2 2 216.325 0.020 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](OC)C1 ZINC000379964303 365767187 /nfs/dbraw/zinc/76/71/87/365767187.db2.gz HMRQNRSDBLQGSP-QWRGUYRKSA-N 2 2 216.325 0.020 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](OC)C1 ZINC000379964303 365767188 /nfs/dbraw/zinc/76/71/88/365767188.db2.gz HMRQNRSDBLQGSP-QWRGUYRKSA-N 2 2 216.325 0.020 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](OC)C1 ZINC000379964303 365767189 /nfs/dbraw/zinc/76/71/89/365767189.db2.gz HMRQNRSDBLQGSP-QWRGUYRKSA-N 2 2 216.325 0.020 20 0 BCADLP C[C@H]([NH2+]CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000037208404 537790928 /nfs/dbraw/zinc/79/09/28/537790928.db2.gz JVNCFIQUQCZKDJ-NSHDSACASA-N 3 2 213.369 0.868 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000379711916 343604427 /nfs/dbraw/zinc/60/44/27/343604427.db2.gz AAJAEAQMYDMRNZ-NSHDSACASA-N 2 2 216.325 0.021 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000379711916 343604428 /nfs/dbraw/zinc/60/44/28/343604428.db2.gz AAJAEAQMYDMRNZ-NSHDSACASA-N 2 2 216.325 0.021 20 0 BCADLP Cc1cccnc1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000311106431 343638376 /nfs/dbraw/zinc/63/83/76/343638376.db2.gz DILMSFFYZUHFPM-CYBMUJFWSA-N 2 2 249.358 0.935 20 0 BCADLP Cc1cccnc1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000311106431 343638379 /nfs/dbraw/zinc/63/83/79/343638379.db2.gz DILMSFFYZUHFPM-CYBMUJFWSA-N 2 2 249.358 0.935 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1CCCCO1 ZINC000380063244 343675300 /nfs/dbraw/zinc/67/53/00/343675300.db2.gz OXCZUGFDKYZLAJ-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1CCCCO1 ZINC000380063244 343675303 /nfs/dbraw/zinc/67/53/03/343675303.db2.gz OXCZUGFDKYZLAJ-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H]1CCCCO1 ZINC000380063244 343675305 /nfs/dbraw/zinc/67/53/05/343675305.db2.gz OXCZUGFDKYZLAJ-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000380063244 343675306 /nfs/dbraw/zinc/67/53/06/343675306.db2.gz OXCZUGFDKYZLAJ-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CC1(O)CCC1 ZINC000577054667 365795133 /nfs/dbraw/zinc/79/51/33/365795133.db2.gz GHQXFELEJMBATN-JTQLQIEISA-N 2 2 209.293 0.776 20 0 BCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cncc(F)c2)C1 ZINC000494475223 529809646 /nfs/dbraw/zinc/80/96/46/529809646.db2.gz SDJWLPNQXCKPHH-LBPRGKRZSA-N 2 2 239.294 0.377 20 0 BCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cncc(F)c2)C1 ZINC000494475223 529809647 /nfs/dbraw/zinc/80/96/47/529809647.db2.gz SDJWLPNQXCKPHH-LBPRGKRZSA-N 2 2 239.294 0.377 20 0 BCADLP CC[NH+]1CCC(NCC[NH+]2CCC2)CC1 ZINC000309044786 346957623 /nfs/dbraw/zinc/95/76/23/346957623.db2.gz NSMZGNJJJPDFGM-UHFFFAOYSA-N 2 2 211.353 0.766 20 0 BCADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)[C@H]1CCOC1 ZINC000624335608 343718342 /nfs/dbraw/zinc/71/83/42/343718342.db2.gz WGELKLYGHXEOJL-SRVKXCTJSA-N 2 2 228.336 0.068 20 0 BCADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)[C@H]1CCOC1 ZINC000624335608 343718343 /nfs/dbraw/zinc/71/83/43/343718343.db2.gz WGELKLYGHXEOJL-SRVKXCTJSA-N 2 2 228.336 0.068 20 0 BCADLP C[C@H](NC[C@H](O)C[NH+]1CCCC1)c1[nH]cc[nH+]1 ZINC000286045908 537809109 /nfs/dbraw/zinc/80/91/09/537809109.db2.gz KTYYSJZFBGBUDX-QWRGUYRKSA-N 2 2 238.335 0.517 20 0 BCADLP COC[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)CCO1 ZINC000179250657 346978310 /nfs/dbraw/zinc/97/83/10/346978310.db2.gz GOYRUVRLYDBGOD-OLZOCXBDSA-N 2 2 242.363 0.818 20 0 BCADLP COC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CCO1 ZINC000179250657 346978313 /nfs/dbraw/zinc/97/83/13/346978313.db2.gz GOYRUVRLYDBGOD-OLZOCXBDSA-N 2 2 242.363 0.818 20 0 BCADLP COC[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC000179250657 346978317 /nfs/dbraw/zinc/97/83/17/346978317.db2.gz GOYRUVRLYDBGOD-OLZOCXBDSA-N 2 2 242.363 0.818 20 0 BCADLP COC[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CCO1 ZINC000179250657 346978320 /nfs/dbraw/zinc/97/83/20/346978320.db2.gz GOYRUVRLYDBGOD-OLZOCXBDSA-N 2 2 242.363 0.818 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@H]([NH3+])CC(F)F)CC1 ZINC000309199687 346982119 /nfs/dbraw/zinc/98/21/19/346982119.db2.gz MYTDUQYQEGZNFA-MRVPVSSYSA-N 2 2 235.278 0.133 20 0 BCADLP C[C@H](CCC[NH3+])NC(=O)CCn1cc[nH+]c1 ZINC000381070728 343931943 /nfs/dbraw/zinc/93/19/43/343931943.db2.gz OFYYMESWMGVILK-SNVBAGLBSA-N 2 2 224.308 0.517 20 0 BCADLP CC[C@H]1C[N@H+](CC(=O)OC)CC[C@H]1[NH3+] ZINC000251583772 344072527 /nfs/dbraw/zinc/07/25/27/344072527.db2.gz CKSJTEGLCYDFQA-DTWKUNHWSA-N 2 2 200.282 0.219 20 0 BCADLP CC[C@H]1C[N@@H+](CC(=O)OC)CC[C@H]1[NH3+] ZINC000251583772 344072528 /nfs/dbraw/zinc/07/25/28/344072528.db2.gz CKSJTEGLCYDFQA-DTWKUNHWSA-N 2 2 200.282 0.219 20 0 BCADLP C[NH+]1CCN(C(=O)C[NH+](C2CC2)C2CC2)CC1 ZINC000625837877 344090815 /nfs/dbraw/zinc/09/08/15/344090815.db2.gz PAHCGWHJBVRQJH-UHFFFAOYSA-N 2 2 237.347 0.387 20 0 BCADLP CC[C@@H]([NH3+])C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000130495452 344143164 /nfs/dbraw/zinc/14/31/64/344143164.db2.gz SGVBJEWNNGEBQT-LLVKDONJSA-N 2 2 246.314 0.996 20 0 BCADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cnnn1C ZINC000129736743 344214260 /nfs/dbraw/zinc/21/42/60/344214260.db2.gz RPZURFODPSIUSJ-SECBINFHSA-N 2 2 211.313 0.245 20 0 BCADLP C[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C)[NH+](C)C ZINC000678430462 488255996 /nfs/dbraw/zinc/25/59/96/488255996.db2.gz QPMSBYNXPYIDIV-DCAQKATOSA-N 2 2 227.352 0.488 20 0 BCADLP Cc1cnccc1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000384917436 344232147 /nfs/dbraw/zinc/23/21/47/344232147.db2.gz DMCQXPIVKSLQOR-CYBMUJFWSA-N 2 2 234.347 0.465 20 0 BCADLP Cc1cnccc1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000384917436 344232150 /nfs/dbraw/zinc/23/21/50/344232150.db2.gz DMCQXPIVKSLQOR-CYBMUJFWSA-N 2 2 234.347 0.465 20 0 BCADLP CCN(CC[NH3+])C(=O)Nc1cc[nH+]cc1C ZINC000625873876 344275810 /nfs/dbraw/zinc/27/58/10/344275810.db2.gz FPRNMAPYPILGFJ-UHFFFAOYSA-N 2 2 222.292 0.624 20 0 BCADLP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1[nH+]ccn1C ZINC000620599705 344334277 /nfs/dbraw/zinc/33/42/77/344334277.db2.gz HZACVQGULDFHLD-NXEZZACHSA-N 2 2 236.319 0.549 20 0 BCADLP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1[nH+]ccn1C ZINC000620599705 344334279 /nfs/dbraw/zinc/33/42/79/344334279.db2.gz HZACVQGULDFHLD-NXEZZACHSA-N 2 2 236.319 0.549 20 0 BCADLP COC(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)[nH]1 ZINC000600681284 344358616 /nfs/dbraw/zinc/35/86/16/344358616.db2.gz GRPYHIRQHIOAOP-WCBMZHEXSA-N 2 2 237.303 0.641 20 0 BCADLP COC(=O)CCCC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000600699459 344359362 /nfs/dbraw/zinc/35/93/62/344359362.db2.gz AOWDOKXEQLMXML-JTQLQIEISA-N 2 2 214.309 0.753 20 0 BCADLP COC(=O)CCCC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000600699459 344359363 /nfs/dbraw/zinc/35/93/63/344359363.db2.gz AOWDOKXEQLMXML-JTQLQIEISA-N 2 2 214.309 0.753 20 0 BCADLP C[NH2+][C@@H](C)C(=O)NCCNc1cccc[nH+]1 ZINC000584301397 344437813 /nfs/dbraw/zinc/43/78/13/344437813.db2.gz SPJRQHKRBJMWGY-VIFPVBQESA-N 2 2 222.292 0.218 20 0 BCADLP Cc1cnn(CC[N@H+]2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000385216064 344377519 /nfs/dbraw/zinc/37/75/19/344377519.db2.gz ZSCIBBSJMGRYKX-GHMZBOCLSA-N 2 2 208.309 0.613 20 0 BCADLP Cc1cnn(CC[N@@H+]2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000385216064 344377522 /nfs/dbraw/zinc/37/75/22/344377522.db2.gz ZSCIBBSJMGRYKX-GHMZBOCLSA-N 2 2 208.309 0.613 20 0 BCADLP C[C@@H](Nc1nc[nH+]c2c1OCCN2)[C@H](C)[NH3+] ZINC000634810075 344395000 /nfs/dbraw/zinc/39/50/00/344395000.db2.gz LMIUJKCIVSKWEO-NKWVEPMBSA-N 2 2 223.280 0.429 20 0 BCADLP COc1c(C)[nH+]cnc1N[C@H](C)[C@H](C)[NH3+] ZINC000634810491 344395416 /nfs/dbraw/zinc/39/54/16/344395416.db2.gz YKFFXBDITUEILY-NKWVEPMBSA-N 2 2 210.281 0.941 20 0 BCADLP C[C@H]1CN(c2nc[nH+]c3c2OCCN3)C[C@H]1C[NH3+] ZINC000634812110 344397405 /nfs/dbraw/zinc/39/74/05/344397405.db2.gz AGGQSEYSOZMROC-DTWKUNHWSA-N 2 2 249.318 0.312 20 0 BCADLP C[C@H]1CN(c2[nH+]cnc3c2OCCN3)C[C@H]1C[NH3+] ZINC000634812110 344397407 /nfs/dbraw/zinc/39/74/07/344397407.db2.gz AGGQSEYSOZMROC-DTWKUNHWSA-N 2 2 249.318 0.312 20 0 BCADLP [NH3+][C@H]1CC[C@H](Nc2nc[nH+]c3c2OCCN3)CC1 ZINC000634813186 344398221 /nfs/dbraw/zinc/39/82/21/344398221.db2.gz BJKOCPQSHUSJMB-KYZUINATSA-N 2 2 249.318 0.963 20 0 BCADLP [NH3+][C@H]1CC[C@H](Nc2[nH+]cnc3c2OCCN3)CC1 ZINC000634813186 344398223 /nfs/dbraw/zinc/39/82/23/344398223.db2.gz BJKOCPQSHUSJMB-KYZUINATSA-N 2 2 249.318 0.963 20 0 BCADLP CNC(=O)CC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000381460335 344509511 /nfs/dbraw/zinc/50/95/11/344509511.db2.gz KXDSNZSXTQKTGZ-NSHDSACASA-N 2 2 227.352 0.585 20 0 BCADLP CNC(=O)CC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000381460335 344509512 /nfs/dbraw/zinc/50/95/12/344509512.db2.gz KXDSNZSXTQKTGZ-NSHDSACASA-N 2 2 227.352 0.585 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CCC[NH2+]1 ZINC000037497944 344507299 /nfs/dbraw/zinc/50/72/99/344507299.db2.gz QYTYIEKXCDLEOG-SECBINFHSA-N 2 2 222.292 0.131 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C1CC[NH2+]CC1 ZINC000036999314 344485075 /nfs/dbraw/zinc/48/50/75/344485075.db2.gz CFRPSTLXCLLDND-SNVBAGLBSA-N 2 2 236.319 0.387 20 0 BCADLP CCn1cc[nH+]c1CNC[C@@H]([NH3+])C(C)C ZINC000570909003 323073826 /nfs/dbraw/zinc/07/38/26/323073826.db2.gz ZFNJQMBKMCHDHF-SNVBAGLBSA-N 2 2 210.325 0.976 20 0 BCADLP C[C@@H]1C[N@H+](CCN2CC[C@@H]([NH3+])[C@H](C)C2)CCO1 ZINC000573966910 344578958 /nfs/dbraw/zinc/57/89/58/344578958.db2.gz AHBBVKDOHBXBGF-JHJVBQTASA-N 2 2 241.379 0.376 20 0 BCADLP C[C@@H]1C[N@@H+](CCN2CC[C@@H]([NH3+])[C@H](C)C2)CCO1 ZINC000573966910 344578960 /nfs/dbraw/zinc/57/89/60/344578960.db2.gz AHBBVKDOHBXBGF-JHJVBQTASA-N 2 2 241.379 0.376 20 0 BCADLP CC(C)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000127629930 344580142 /nfs/dbraw/zinc/58/01/42/344580142.db2.gz PGNKNELMDRNURV-NSHDSACASA-N 2 2 227.352 0.572 20 0 BCADLP CC(C)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000127629930 344580147 /nfs/dbraw/zinc/58/01/47/344580147.db2.gz PGNKNELMDRNURV-NSHDSACASA-N 2 2 227.352 0.572 20 0 BCADLP Cc1[nH+]ccn1CC[NH+]1CCC(O)CC1 ZINC000048568139 344587987 /nfs/dbraw/zinc/58/79/87/344587987.db2.gz YLKWQBQIRVJZNC-UHFFFAOYSA-N 2 2 209.293 0.648 20 0 BCADLP CC(C)OCC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000574033958 344604452 /nfs/dbraw/zinc/60/44/52/344604452.db2.gz VFLILBLTRUMVOG-STQMWFEESA-N 2 2 244.379 0.846 20 0 BCADLP CC(C)OCC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000574033958 344604454 /nfs/dbraw/zinc/60/44/54/344604454.db2.gz VFLILBLTRUMVOG-STQMWFEESA-N 2 2 244.379 0.846 20 0 BCADLP CC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220937539 344643988 /nfs/dbraw/zinc/64/39/88/344643988.db2.gz SLONXNPVFCONBZ-NWDGAFQWSA-N 2 2 210.321 0.992 20 0 BCADLP CC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220937539 344643989 /nfs/dbraw/zinc/64/39/89/344643989.db2.gz SLONXNPVFCONBZ-NWDGAFQWSA-N 2 2 210.321 0.992 20 0 BCADLP CC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220937539 344643990 /nfs/dbraw/zinc/64/39/90/344643990.db2.gz SLONXNPVFCONBZ-NWDGAFQWSA-N 2 2 210.321 0.992 20 0 BCADLP CC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220937539 344643991 /nfs/dbraw/zinc/64/39/91/344643991.db2.gz SLONXNPVFCONBZ-NWDGAFQWSA-N 2 2 210.321 0.992 20 0 BCADLP O[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000050103559 344719768 /nfs/dbraw/zinc/71/97/68/344719768.db2.gz GSLBQZAQGKJQAC-NSHDSACASA-N 2 2 209.293 0.730 20 0 BCADLP O[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000050103559 344719772 /nfs/dbraw/zinc/71/97/72/344719772.db2.gz GSLBQZAQGKJQAC-NSHDSACASA-N 2 2 209.293 0.730 20 0 BCADLP CC[NH+]1CCC(NCc2[nH]cc[nH+]2)CC1 ZINC000049715631 344683068 /nfs/dbraw/zinc/68/30/68/344683068.db2.gz RAWGNNPVHVDAST-UHFFFAOYSA-N 2 2 208.309 0.984 20 0 BCADLP CC[NH+]1CCC([NH2+]Cc2ncc[nH]2)CC1 ZINC000049715631 344683069 /nfs/dbraw/zinc/68/30/69/344683069.db2.gz RAWGNNPVHVDAST-UHFFFAOYSA-N 2 2 208.309 0.984 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046705 344697826 /nfs/dbraw/zinc/69/78/26/344697826.db2.gz OKLMJOJPFHTWDO-KLPPZKSPSA-N 2 2 223.320 0.665 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046705 344697829 /nfs/dbraw/zinc/69/78/29/344697829.db2.gz OKLMJOJPFHTWDO-KLPPZKSPSA-N 2 2 223.320 0.665 20 0 BCADLP CC[C@H](C(N)=O)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337231761 537856091 /nfs/dbraw/zinc/85/60/91/537856091.db2.gz UVTKGUDEUCFKEH-LLVKDONJSA-N 2 2 227.352 0.668 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337231761 537856102 /nfs/dbraw/zinc/85/61/02/537856102.db2.gz UVTKGUDEUCFKEH-LLVKDONJSA-N 2 2 227.352 0.668 20 0 BCADLP C[N@@H+]1CCN(C(=O)/C=C/C(C)(C)C)[C@H](C[NH3+])C1 ZINC000493414960 530065928 /nfs/dbraw/zinc/06/59/28/530065928.db2.gz FZLBYNSRAUCWOY-MVIFTORASA-N 2 2 239.363 0.690 20 0 BCADLP C[N@H+]1CCN(C(=O)/C=C/C(C)(C)C)[C@H](C[NH3+])C1 ZINC000493414960 530065929 /nfs/dbraw/zinc/06/59/29/530065929.db2.gz FZLBYNSRAUCWOY-MVIFTORASA-N 2 2 239.363 0.690 20 0 BCADLP C[NH+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493662869 530065941 /nfs/dbraw/zinc/06/59/41/530065941.db2.gz PTLUHEJEJNOCKB-NSCUHMNNSA-N 2 2 220.276 0.197 20 0 BCADLP C[N@@H+]1CCC[C@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493563786 530061119 /nfs/dbraw/zinc/06/11/19/530061119.db2.gz WCCORLZUDKAEOO-SGUJLRQBSA-N 2 2 248.330 0.881 20 0 BCADLP C[N@H+]1CCC[C@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493563786 530061120 /nfs/dbraw/zinc/06/11/20/530061120.db2.gz WCCORLZUDKAEOO-SGUJLRQBSA-N 2 2 248.330 0.881 20 0 BCADLP O=C(C[NH2+]C1CC1)Nc1cc[nH+]cc1O ZINC000309470620 347071650 /nfs/dbraw/zinc/07/16/50/347071650.db2.gz ALPOAURRFHOVTD-UHFFFAOYSA-N 2 2 207.233 0.478 20 0 BCADLP CC[C@H](COC)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000153327859 344852340 /nfs/dbraw/zinc/85/23/40/344852340.db2.gz BGIWGXHBNJKORW-CHWSQXEVSA-N 2 2 244.379 0.969 20 0 BCADLP O[C@@H]1CC[N@@H+](C2CN(c3cc[nH+]cc3F)C2)C1 ZINC000641652801 362580136 /nfs/dbraw/zinc/58/01/36/362580136.db2.gz ZLYCTVYBXRTPOP-SNVBAGLBSA-N 2 2 237.278 0.476 20 0 BCADLP O[C@@H]1CC[N@H+](C2CN(c3cc[nH+]cc3F)C2)C1 ZINC000641652801 362580140 /nfs/dbraw/zinc/58/01/40/362580140.db2.gz ZLYCTVYBXRTPOP-SNVBAGLBSA-N 2 2 237.278 0.476 20 0 BCADLP C[C@H]1C[N@H+](CCO)CCN1c1cc[nH+]cc1F ZINC000641625081 362558222 /nfs/dbraw/zinc/55/82/22/362558222.db2.gz ONDOWOUJNXRWIT-JTQLQIEISA-N 2 2 239.294 0.724 20 0 BCADLP C[C@H]1C[N@@H+](CCO)CCN1c1cc[nH+]cc1F ZINC000641625081 362558226 /nfs/dbraw/zinc/55/82/26/362558226.db2.gz ONDOWOUJNXRWIT-JTQLQIEISA-N 2 2 239.294 0.724 20 0 BCADLP C[N@H+](C[C@H]1CCCO1)CC12CC(C1)C[NH2+]2 ZINC000634991459 345177950 /nfs/dbraw/zinc/17/79/50/345177950.db2.gz FMDWNFLLTFESNX-MOENNCHZSA-N 2 2 210.321 0.849 20 0 BCADLP C[N@@H+](C[C@H]1CCCO1)CC12CC(C1)C[NH2+]2 ZINC000634991459 345177953 /nfs/dbraw/zinc/17/79/53/345177953.db2.gz FMDWNFLLTFESNX-MOENNCHZSA-N 2 2 210.321 0.849 20 0 BCADLP CC1(C)C[N@H+](CC23CC(C2)C[NH2+]3)C[C@H]1O ZINC000634995175 345183495 /nfs/dbraw/zinc/18/34/95/345183495.db2.gz XOMYKAZEIABSIT-SQLBVSGCSA-N 2 2 210.321 0.441 20 0 BCADLP CC1(C)C[N@@H+](CC23CC(C2)C[NH2+]3)C[C@H]1O ZINC000634995175 345183497 /nfs/dbraw/zinc/18/34/97/345183497.db2.gz XOMYKAZEIABSIT-SQLBVSGCSA-N 2 2 210.321 0.441 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000634994983 345183894 /nfs/dbraw/zinc/18/38/94/345183894.db2.gz RKVUFJCNWBJHQH-YNEHKIRRSA-N 3 2 225.380 0.901 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000634994983 345183898 /nfs/dbraw/zinc/18/38/98/345183898.db2.gz RKVUFJCNWBJHQH-YNEHKIRRSA-N 3 2 225.380 0.901 20 0 BCADLP OCC[C@@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634996870 345184598 /nfs/dbraw/zinc/18/45/98/345184598.db2.gz XPCMNKKZNXNOJD-CXQJBGSLSA-N 2 2 210.321 0.585 20 0 BCADLP OCC[C@@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634996870 345184601 /nfs/dbraw/zinc/18/46/01/345184601.db2.gz XPCMNKKZNXNOJD-CXQJBGSLSA-N 2 2 210.321 0.585 20 0 BCADLP CC[NH2+][C@H](C)C[NH2+]C[C@H](C[NH3+])C(C)C ZINC000634996013 345185716 /nfs/dbraw/zinc/18/57/16/345185716.db2.gz WKYONUNSUALJPL-MNOVXSKESA-N 3 2 201.358 0.805 20 0 BCADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634995816 345185910 /nfs/dbraw/zinc/18/59/10/345185910.db2.gz PNJDBKHBOFUSHK-ZYGVAYEYSA-N 3 2 209.337 0.326 20 0 BCADLP C[C@@H](C[NH2+][C@H]1CCNC(=O)CC1)[NH+](C)C ZINC000634959238 345133131 /nfs/dbraw/zinc/13/31/31/345133131.db2.gz LOAIKDNEKDQXAI-VHSXEESVSA-N 2 2 213.325 0.195 20 0 BCADLP C[N@H+](C[C@H]1COCCO1)CC12CC(C1)C[NH2+]2 ZINC000634996350 345187738 /nfs/dbraw/zinc/18/77/38/345187738.db2.gz HQMXMTQFTVJAEJ-CXQJBGSLSA-N 2 2 226.320 0.086 20 0 BCADLP C[N@@H+](C[C@H]1COCCO1)CC12CC(C1)C[NH2+]2 ZINC000634996350 345187740 /nfs/dbraw/zinc/18/77/40/345187740.db2.gz HQMXMTQFTVJAEJ-CXQJBGSLSA-N 2 2 226.320 0.086 20 0 BCADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000634966488 345139602 /nfs/dbraw/zinc/13/96/02/345139602.db2.gz OCORQYVDFBFMAH-RYUDHWBXSA-N 2 2 239.363 0.587 20 0 BCADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000634966488 345139603 /nfs/dbraw/zinc/13/96/03/345139603.db2.gz OCORQYVDFBFMAH-RYUDHWBXSA-N 2 2 239.363 0.587 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1nncn1C ZINC000156236487 345141585 /nfs/dbraw/zinc/14/15/85/345141585.db2.gz AZGQAYMMXWIHDK-OUAUKWLOSA-N 2 2 237.351 0.948 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1nncn1C ZINC000156236487 345141588 /nfs/dbraw/zinc/14/15/88/345141588.db2.gz AZGQAYMMXWIHDK-OUAUKWLOSA-N 2 2 237.351 0.948 20 0 BCADLP Cn1cc(C(C)(C)[NH2+]CC23CC(C2)C[NH2+]3)cn1 ZINC000634992907 345188251 /nfs/dbraw/zinc/18/82/51/345188251.db2.gz FMAAIINPHKCXEW-UHFFFAOYSA-N 2 2 234.347 0.997 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCNC(=O)CC1 ZINC000634980435 345157904 /nfs/dbraw/zinc/15/79/04/345157904.db2.gz FAUUXZMOLURMRT-VHSXEESVSA-N 2 2 213.325 0.195 20 0 BCADLP CCc1c[nH]c(CC(=O)NCC[NH+](C)C)[nH+]1 ZINC000635069201 345236435 /nfs/dbraw/zinc/23/64/35/345236435.db2.gz NVJDJRLEEDINCB-UHFFFAOYSA-N 2 2 224.308 0.192 20 0 BCADLP c1ncn([C@@H]2CC[N@@H+](CC34CC(C3)C[NH2+]4)C2)n1 ZINC000634993936 345191988 /nfs/dbraw/zinc/19/19/88/345191988.db2.gz KTSZYXXNSIFXJO-MOENNCHZSA-N 2 2 233.319 0.277 20 0 BCADLP c1ncn([C@@H]2CC[N@H+](CC34CC(C3)C[NH2+]4)C2)n1 ZINC000634993936 345191991 /nfs/dbraw/zinc/19/19/91/345191991.db2.gz KTSZYXXNSIFXJO-MOENNCHZSA-N 2 2 233.319 0.277 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999050 345199287 /nfs/dbraw/zinc/19/92/87/345199287.db2.gz PETUAZBACAMHBF-UTUOFQBUSA-N 3 2 213.369 0.886 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999050 345199292 /nfs/dbraw/zinc/19/92/92/345199292.db2.gz PETUAZBACAMHBF-UTUOFQBUSA-N 3 2 213.369 0.886 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C[C@H]1C[NH3+] ZINC000634999465 345199910 /nfs/dbraw/zinc/19/99/10/345199910.db2.gz UZAVMOWLAZTQDB-KKOKHZNYSA-N 3 2 209.337 0.123 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C[C@H]1C[NH3+] ZINC000634999465 345199912 /nfs/dbraw/zinc/19/99/12/345199912.db2.gz UZAVMOWLAZTQDB-KKOKHZNYSA-N 3 2 209.337 0.123 20 0 BCADLP CC(C)[C@@H](C[NH3+])C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000634997889 345202936 /nfs/dbraw/zinc/20/29/36/345202936.db2.gz VLAYDZFDBOSTOO-WOPDTQHZSA-N 3 2 213.369 0.947 20 0 BCADLP CCC[C@H](CCO)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000635003103 345205434 /nfs/dbraw/zinc/20/54/34/345205434.db2.gz FYYVAVJZWHSSMB-XQQFMLRXSA-N 2 2 244.379 0.894 20 0 BCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCCc1[nH]cc[nH+]1 ZINC000158547775 345344748 /nfs/dbraw/zinc/34/47/48/345344748.db2.gz HWQRFCVMWCHVQO-WPRPVWTQSA-N 2 2 224.308 0.442 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000133606624 345380411 /nfs/dbraw/zinc/38/04/11/345380411.db2.gz ZLJWCHNZWKWZSH-QWRGUYRKSA-N 2 2 227.352 0.570 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000133606624 345380413 /nfs/dbraw/zinc/38/04/13/345380413.db2.gz ZLJWCHNZWKWZSH-QWRGUYRKSA-N 2 2 227.352 0.570 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635496010 345399090 /nfs/dbraw/zinc/39/90/90/345399090.db2.gz PMOAECPJICBDPG-JTQLQIEISA-N 2 2 236.319 0.378 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635496010 345399092 /nfs/dbraw/zinc/39/90/92/345399092.db2.gz PMOAECPJICBDPG-JTQLQIEISA-N 2 2 236.319 0.378 20 0 BCADLP CN1CC[C@@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000080969297 345456361 /nfs/dbraw/zinc/45/63/61/345456361.db2.gz IIEGBTXHXPFELP-WDEREUQCSA-N 2 2 248.330 0.820 20 0 BCADLP CN1CC[C@@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000080969297 345456365 /nfs/dbraw/zinc/45/63/65/345456365.db2.gz IIEGBTXHXPFELP-WDEREUQCSA-N 2 2 248.330 0.820 20 0 BCADLP C[N@@H+]1CC[C@@H](CC(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000635546893 345581341 /nfs/dbraw/zinc/58/13/41/345581341.db2.gz WJGROBPEZOVIOY-JTQLQIEISA-N 2 2 236.319 0.410 20 0 BCADLP C[N@H+]1CC[C@@H](CC(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000635546893 345581343 /nfs/dbraw/zinc/58/13/43/345581343.db2.gz WJGROBPEZOVIOY-JTQLQIEISA-N 2 2 236.319 0.410 20 0 BCADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000093177591 345658738 /nfs/dbraw/zinc/65/87/38/345658738.db2.gz CEFPGXTYGPNJIT-TXEJJXNPSA-N 2 2 239.363 0.348 20 0 BCADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000093177591 345658740 /nfs/dbraw/zinc/65/87/40/345658740.db2.gz CEFPGXTYGPNJIT-TXEJJXNPSA-N 2 2 239.363 0.348 20 0 BCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(F)cn1 ZINC000092747268 345642596 /nfs/dbraw/zinc/64/25/96/345642596.db2.gz HVOOELAIZXUMGP-GXSJLCMTSA-N 2 2 241.310 0.794 20 0 BCADLP C[C@H](C(=O)Nc1cc[nH+]cc1O)[NH+](C)C ZINC000635742046 346054787 /nfs/dbraw/zinc/05/47/87/346054787.db2.gz ICOPPANQNAXHQU-SSDOTTSWSA-N 2 2 209.249 0.098 20 0 BCADLP CCC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000148045387 346032093 /nfs/dbraw/zinc/03/20/93/346032093.db2.gz VBYGSHQWKGOFCZ-UHFFFAOYSA-N 2 2 200.326 0.785 20 0 BCADLP CCC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000148045387 346032095 /nfs/dbraw/zinc/03/20/95/346032095.db2.gz VBYGSHQWKGOFCZ-UHFFFAOYSA-N 2 2 200.326 0.785 20 0 BCADLP CC(=O)N[C@H](C)C1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000571046994 323105172 /nfs/dbraw/zinc/10/51/72/323105172.db2.gz DVVFVRAIBUJGLO-NXEZZACHSA-N 2 2 227.352 0.570 20 0 BCADLP CC[NH+](CC)CC[NH2+]C1CCN(C(C)=O)CC1 ZINC000034994281 346114108 /nfs/dbraw/zinc/11/41/08/346114108.db2.gz YBSWUABMYQMBAO-UHFFFAOYSA-N 2 2 241.379 0.929 20 0 BCADLP C[C@H](C(=O)N1CCn2c[nH+]cc2C1)[NH+](C)C ZINC000635944692 346118893 /nfs/dbraw/zinc/11/88/93/346118893.db2.gz LQKSOHXIAUHZRM-SECBINFHSA-N 2 2 222.292 0.175 20 0 BCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)[NH+](C)C ZINC000635973004 346128647 /nfs/dbraw/zinc/12/86/47/346128647.db2.gz WEHDTCVZKKMYTQ-MNOVXSKESA-N 2 2 227.352 0.489 20 0 BCADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]CC1(F)CC1 ZINC000574897981 346151162 /nfs/dbraw/zinc/15/11/62/346151162.db2.gz ZYZFQRAANUAPRX-LLVKDONJSA-N 2 2 230.327 0.925 20 0 BCADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]CC1(F)CC1 ZINC000574897981 346151163 /nfs/dbraw/zinc/15/11/63/346151163.db2.gz ZYZFQRAANUAPRX-LLVKDONJSA-N 2 2 230.327 0.925 20 0 BCADLP Cc1c[nH]c(CN2CC[N@H+](CCO)[C@@H](C)C2)[nH+]1 ZINC000628241586 346201264 /nfs/dbraw/zinc/20/12/64/346201264.db2.gz AWWBZGBKLDNZPV-NSHDSACASA-N 2 2 238.335 0.217 20 0 BCADLP Cc1c[nH]c(CN2CC[N@@H+](CCO)[C@@H](C)C2)[nH+]1 ZINC000628241586 346201266 /nfs/dbraw/zinc/20/12/66/346201266.db2.gz AWWBZGBKLDNZPV-NSHDSACASA-N 2 2 238.335 0.217 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000684395035 488304978 /nfs/dbraw/zinc/30/49/78/488304978.db2.gz QKPGWAULEZASEG-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000684395035 488304979 /nfs/dbraw/zinc/30/49/79/488304979.db2.gz QKPGWAULEZASEG-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP CC1(C)C[N@H+](CCn2cc[nH+]c2)C[C@H]1O ZINC000279694374 346257417 /nfs/dbraw/zinc/25/74/17/346257417.db2.gz GJNLIBAZVJGZIW-SNVBAGLBSA-N 2 2 209.293 0.586 20 0 BCADLP CC1(C)C[N@@H+](CCn2cc[nH+]c2)C[C@H]1O ZINC000279694374 346257420 /nfs/dbraw/zinc/25/74/20/346257420.db2.gz GJNLIBAZVJGZIW-SNVBAGLBSA-N 2 2 209.293 0.586 20 0 BCADLP COC[C@H](CO)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000641749274 362670464 /nfs/dbraw/zinc/67/04/64/362670464.db2.gz DJVSUIOZGSLTOI-NSHDSACASA-N 2 2 239.319 0.245 20 0 BCADLP C[C@H](C(=O)N[C@H]1CCn2c[nH+]cc2C1)[NH+](C)C ZINC000636071847 346311677 /nfs/dbraw/zinc/31/16/77/346311677.db2.gz FZIJKPLWQYZDPE-ZJUUUORDSA-N 2 2 236.319 0.264 20 0 BCADLP C[C@H](C(=O)N1CC[NH+](CCCF)CC1)[NH+](C)C ZINC000636102923 346319968 /nfs/dbraw/zinc/31/99/68/346319968.db2.gz YYISKQYQQHYKSB-LLVKDONJSA-N 2 2 245.342 0.440 20 0 BCADLP CC[NH+](CC)CC[C@H](CO)NCc1[nH]cc[nH+]1 ZINC000641771609 362709729 /nfs/dbraw/zinc/70/97/29/362709729.db2.gz JYHQRLLINOMQLO-LLVKDONJSA-N 2 2 240.351 0.592 20 0 BCADLP C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)c1[nH+]ccn1C ZINC000636211577 346354678 /nfs/dbraw/zinc/35/46/78/346354678.db2.gz KMIPQIBIQCPMKX-RKDXNWHRSA-N 2 2 224.308 0.547 20 0 BCADLP CC[N@@H+]1CCCN(Cc2[nH]cc[nH+]2)CC1 ZINC000158233932 346392115 /nfs/dbraw/zinc/39/21/15/346392115.db2.gz YYVWCMXRQCQWEU-UHFFFAOYSA-N 2 2 208.309 0.937 20 0 BCADLP CC[N@H+]1CCCN(Cc2[nH]cc[nH+]2)CC1 ZINC000158233932 346392119 /nfs/dbraw/zinc/39/21/19/346392119.db2.gz YYVWCMXRQCQWEU-UHFFFAOYSA-N 2 2 208.309 0.937 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000332792785 346441850 /nfs/dbraw/zinc/44/18/50/346441850.db2.gz AUHBMAOZHMSQOL-CABZTGNLSA-N 2 2 248.330 0.477 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000332792785 346441853 /nfs/dbraw/zinc/44/18/53/346441853.db2.gz AUHBMAOZHMSQOL-CABZTGNLSA-N 2 2 248.330 0.477 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000332792785 346441854 /nfs/dbraw/zinc/44/18/54/346441854.db2.gz AUHBMAOZHMSQOL-CABZTGNLSA-N 2 2 248.330 0.477 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000332792785 346441856 /nfs/dbraw/zinc/44/18/56/346441856.db2.gz AUHBMAOZHMSQOL-CABZTGNLSA-N 2 2 248.330 0.477 20 0 BCADLP COc1cc(C[NH2+]CC2([NH3+])CCC2)on1 ZINC000641797840 362738716 /nfs/dbraw/zinc/73/87/16/362738716.db2.gz JPTPJYRNGUWOFC-UHFFFAOYSA-N 2 2 211.265 0.654 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000333020019 346486862 /nfs/dbraw/zinc/48/68/62/346486862.db2.gz YAJHYBXUJLYSCV-QWRGUYRKSA-N 2 2 248.330 0.408 20 0 BCADLP CCCCOC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](CC)C1 ZINC000389423842 346463788 /nfs/dbraw/zinc/46/37/88/346463788.db2.gz WEQDNDKRVCEREX-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP CCCCOC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](CC)C1 ZINC000389423842 346463790 /nfs/dbraw/zinc/46/37/90/346463790.db2.gz WEQDNDKRVCEREX-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000333020018 346487212 /nfs/dbraw/zinc/48/72/12/346487212.db2.gz YAJHYBXUJLYSCV-MNOVXSKESA-N 2 2 248.330 0.408 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000333020018 346487214 /nfs/dbraw/zinc/48/72/14/346487214.db2.gz YAJHYBXUJLYSCV-MNOVXSKESA-N 2 2 248.330 0.408 20 0 BCADLP COc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)on1 ZINC000641799744 362749922 /nfs/dbraw/zinc/74/99/22/362749922.db2.gz SJDDBZCQOWTCMK-NSHDSACASA-N 2 2 225.292 0.854 20 0 BCADLP COc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)on1 ZINC000641799744 362749928 /nfs/dbraw/zinc/74/99/28/362749928.db2.gz SJDDBZCQOWTCMK-NSHDSACASA-N 2 2 225.292 0.854 20 0 BCADLP Cc1cc(NC(=O)N(C)CCC[NH3+])c(C)c[nH+]1 ZINC000574972822 346474435 /nfs/dbraw/zinc/47/44/35/346474435.db2.gz MKUSVRXQGDKTEY-UHFFFAOYSA-N 2 2 236.319 0.933 20 0 BCADLP COc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)on1 ZINC000641798241 362750188 /nfs/dbraw/zinc/75/01/88/362750188.db2.gz NFABBSRXVUVOCH-BDAKNGLRSA-N 2 2 225.292 0.852 20 0 BCADLP COc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)on1 ZINC000641798241 362750193 /nfs/dbraw/zinc/75/01/93/362750193.db2.gz NFABBSRXVUVOCH-BDAKNGLRSA-N 2 2 225.292 0.852 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(OC)no2)C1 ZINC000641796738 362740185 /nfs/dbraw/zinc/74/01/85/362740185.db2.gz INQRMBRKFFMRTL-VIFPVBQESA-N 2 2 225.292 0.725 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC000641796738 362740187 /nfs/dbraw/zinc/74/01/87/362740187.db2.gz INQRMBRKFFMRTL-VIFPVBQESA-N 2 2 225.292 0.725 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000333020019 346486858 /nfs/dbraw/zinc/48/68/58/346486858.db2.gz YAJHYBXUJLYSCV-QWRGUYRKSA-N 2 2 248.330 0.408 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1nnnn1C1CC1 ZINC000641804148 362761249 /nfs/dbraw/zinc/76/12/49/362761249.db2.gz IIYMDNZASBGGAJ-BDAKNGLRSA-N 2 2 236.323 0.223 20 0 BCADLP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[NH2+]C2)C1 ZINC000580095796 346523785 /nfs/dbraw/zinc/52/37/85/346523785.db2.gz HTYQLJTWIVOCGC-WOPDTQHZSA-N 3 2 211.353 0.988 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ncnn1CCF ZINC000641801585 362756994 /nfs/dbraw/zinc/75/69/94/362756994.db2.gz SUTSVZXRKKNWEX-RKDXNWHRSA-N 2 2 241.314 0.463 20 0 BCADLP COCC1([NH2+]Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000580048736 346494795 /nfs/dbraw/zinc/49/47/95/346494795.db2.gz JGEXVABXAMQXQQ-UHFFFAOYSA-N 2 2 238.335 0.755 20 0 BCADLP Cc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)[nH]n1 ZINC000589644355 346724904 /nfs/dbraw/zinc/72/49/04/346724904.db2.gz FMNHNLONAXSNGH-GFCCVEGCSA-N 2 2 238.335 0.264 20 0 BCADLP CO[C@@H]1COC[C@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000580214593 346694776 /nfs/dbraw/zinc/69/47/76/346694776.db2.gz ZZPUEBMOWFSABQ-GHMZBOCLSA-N 2 2 225.292 0.232 20 0 BCADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(N)=O)[nH+]1 ZINC000369512230 179149417 /nfs/dbraw/zinc/14/94/17/179149417.db2.gz RENKKJIFJVZLMM-LLVKDONJSA-N 2 2 248.330 0.752 20 0 BCADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC(N)=O)[nH+]1 ZINC000369512230 179149419 /nfs/dbraw/zinc/14/94/19/179149419.db2.gz RENKKJIFJVZLMM-LLVKDONJSA-N 2 2 248.330 0.752 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000380226727 346797589 /nfs/dbraw/zinc/79/75/89/346797589.db2.gz OPZJVMMVAHUCFJ-SECBINFHSA-N 2 2 222.292 0.476 20 0 BCADLP CC(C)C[N@H+](CCCn1cc[nH+]c1)CC(N)=O ZINC000183159840 347121028 /nfs/dbraw/zinc/12/10/28/347121028.db2.gz SLKJARHHRSPMFC-UHFFFAOYSA-N 2 2 238.335 0.717 20 0 BCADLP CC(C)C[N@@H+](CCCn1cc[nH+]c1)CC(N)=O ZINC000183159840 347121032 /nfs/dbraw/zinc/12/10/32/347121032.db2.gz SLKJARHHRSPMFC-UHFFFAOYSA-N 2 2 238.335 0.717 20 0 BCADLP [NH3+]CC1(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622004032 370654344 /nfs/dbraw/zinc/65/43/44/370654344.db2.gz JFKHMEHWMROVTO-CMPLNLGQSA-N 3 2 209.337 0.539 20 0 BCADLP [NH3+]CC1(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622004032 370654346 /nfs/dbraw/zinc/65/43/46/370654346.db2.gz JFKHMEHWMROVTO-CMPLNLGQSA-N 3 2 209.337 0.539 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000641825569 362775550 /nfs/dbraw/zinc/77/55/50/362775550.db2.gz ZMSHLVIXEQUDIE-OKILXGFUSA-N 3 2 248.374 0.894 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000641825569 362775553 /nfs/dbraw/zinc/77/55/53/362775553.db2.gz ZMSHLVIXEQUDIE-OKILXGFUSA-N 3 2 248.374 0.894 20 0 BCADLP CCOC(=O)C1(C)CC([NH2+]CC[NH+](C)C)C1 ZINC000601279110 347141990 /nfs/dbraw/zinc/14/19/90/347141990.db2.gz AMSWPIAYNURPCF-UHFFFAOYSA-N 2 2 228.336 0.869 20 0 BCADLP CC(C)OC(=O)CC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000601330643 347220637 /nfs/dbraw/zinc/22/06/37/347220637.db2.gz WBUASICMFLNRLQ-UWVGGRQHSA-N 2 2 214.309 0.750 20 0 BCADLP CC(C)OC(=O)CC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000601330643 347220639 /nfs/dbraw/zinc/22/06/39/347220639.db2.gz WBUASICMFLNRLQ-UWVGGRQHSA-N 2 2 214.309 0.750 20 0 BCADLP CCOC(=O)CC[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000601330805 347221500 /nfs/dbraw/zinc/22/15/00/347221500.db2.gz XOERIRZTYHOGDK-RKDXNWHRSA-N 2 2 200.282 0.361 20 0 BCADLP CCOC(=O)CC[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000601330805 347221502 /nfs/dbraw/zinc/22/15/02/347221502.db2.gz XOERIRZTYHOGDK-RKDXNWHRSA-N 2 2 200.282 0.361 20 0 BCADLP C[C@H](O)CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000571340685 323141917 /nfs/dbraw/zinc/14/19/17/323141917.db2.gz KFXUZSXLCVITLD-WDEREUQCSA-N 2 2 223.320 0.980 20 0 BCADLP C[C@H](O)CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000571340685 323141918 /nfs/dbraw/zinc/14/19/18/323141918.db2.gz KFXUZSXLCVITLD-WDEREUQCSA-N 2 2 223.320 0.980 20 0 BCADLP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCc1[nH]cc[nH+]1 ZINC000310412510 347278850 /nfs/dbraw/zinc/27/88/50/347278850.db2.gz MNWKOYQOXARDEA-NXEZZACHSA-N 2 2 236.319 0.934 20 0 BCADLP C[C@H](CCCCO)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000679341085 488341811 /nfs/dbraw/zinc/34/18/11/488341811.db2.gz RECYKJLIGWXVEG-OLZOCXBDSA-N 2 2 243.395 0.373 20 0 BCADLP C[C@H](CCCCO)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000679341085 488341813 /nfs/dbraw/zinc/34/18/13/488341813.db2.gz RECYKJLIGWXVEG-OLZOCXBDSA-N 2 2 243.395 0.373 20 0 BCADLP Cc1cccc2[nH+]c(CNC(=O)[C@H](C)[NH3+])cn21 ZINC000083909216 179230212 /nfs/dbraw/zinc/23/02/12/179230212.db2.gz UUMDKCCXCUUATJ-VIFPVBQESA-N 2 2 232.287 0.606 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C1([NH+](C)C)CC1 ZINC000616922018 347452672 /nfs/dbraw/zinc/45/26/72/347452672.db2.gz MKXQRFANTUYBBQ-UHFFFAOYSA-N 2 2 222.292 0.462 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C1([NH+](C)C)CC1 ZINC000616922018 347452673 /nfs/dbraw/zinc/45/26/73/347452673.db2.gz MKXQRFANTUYBBQ-UHFFFAOYSA-N 2 2 222.292 0.462 20 0 BCADLP CO[C@H]1C[C@@H](C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000623822843 347446367 /nfs/dbraw/zinc/44/63/67/347446367.db2.gz BDAOAZNDBLZTIA-NNYUYHANSA-N 2 2 212.337 0.951 20 0 BCADLP CO[C@H]1C[C@@H](C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000623822843 347446372 /nfs/dbraw/zinc/44/63/72/347446372.db2.gz BDAOAZNDBLZTIA-NNYUYHANSA-N 2 2 212.337 0.951 20 0 BCADLP Cc1cccc2[nH+]c(CNC(=O)[C@H](C)C[NH3+])cn21 ZINC000285728815 179229236 /nfs/dbraw/zinc/22/92/36/179229236.db2.gz GGYDTTFCAVCBCC-SECBINFHSA-N 2 2 246.314 0.854 20 0 BCADLP Cc1ccc(CCC[NH2+]Cc2nnn(C)n2)c[nH+]1 ZINC000355150569 187375501 /nfs/dbraw/zinc/37/55/01/187375501.db2.gz KXKQTMUNRSOMAO-UHFFFAOYSA-N 2 2 246.318 0.636 20 0 BCADLP CC(C)[N@H+](C)CCNCc1[nH+]ccn1C ZINC000054111427 347467278 /nfs/dbraw/zinc/46/72/78/347467278.db2.gz KZIUYRURLKQMCP-UHFFFAOYSA-N 2 2 210.325 0.850 20 0 BCADLP CC(C)[N@@H+](C)CCNCc1[nH+]ccn1C ZINC000054111427 347467279 /nfs/dbraw/zinc/46/72/79/347467279.db2.gz KZIUYRURLKQMCP-UHFFFAOYSA-N 2 2 210.325 0.850 20 0 BCADLP O=C(C[NH2+]C1CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000577219103 365887175 /nfs/dbraw/zinc/88/71/75/365887175.db2.gz SPYTVTUZIJCTJO-UHFFFAOYSA-N 2 2 248.330 0.799 20 0 BCADLP COC(=O)[C@@H]([NH2+]CCc1c[nH+]cn1C)C(C)C ZINC000590956103 347593843 /nfs/dbraw/zinc/59/38/43/347593843.db2.gz SKMUMRNQJRQXIR-NSHDSACASA-N 2 2 239.319 0.750 20 0 BCADLP CCOC(=O)CC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591449568 347664226 /nfs/dbraw/zinc/66/42/26/347664226.db2.gz WICZSAPMFMJARV-WDEREUQCSA-N 2 2 226.320 0.623 20 0 BCADLP CCOC(=O)CC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591449568 347664229 /nfs/dbraw/zinc/66/42/29/347664229.db2.gz WICZSAPMFMJARV-WDEREUQCSA-N 2 2 226.320 0.623 20 0 BCADLP COC(=O)CC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591447827 347663633 /nfs/dbraw/zinc/66/36/33/347663633.db2.gz AKIJJBBEHSZBDU-NXEZZACHSA-N 2 2 212.293 0.233 20 0 BCADLP COC(=O)CC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591447827 347663637 /nfs/dbraw/zinc/66/36/37/347663637.db2.gz AKIJJBBEHSZBDU-NXEZZACHSA-N 2 2 212.293 0.233 20 0 BCADLP COC(=O)CCC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591447872 347663743 /nfs/dbraw/zinc/66/37/43/347663743.db2.gz BNPKFEIAZYBQMD-GHMZBOCLSA-N 2 2 226.320 0.623 20 0 BCADLP COC(=O)CCC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591447872 347663746 /nfs/dbraw/zinc/66/37/46/347663746.db2.gz BNPKFEIAZYBQMD-GHMZBOCLSA-N 2 2 226.320 0.623 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000591430247 347655120 /nfs/dbraw/zinc/65/51/20/347655120.db2.gz QQHOLZBZTLCDAV-MNOVXSKESA-N 2 2 236.319 0.340 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000591430247 347655124 /nfs/dbraw/zinc/65/51/24/347655124.db2.gz QQHOLZBZTLCDAV-MNOVXSKESA-N 2 2 236.319 0.340 20 0 BCADLP CCOC(=O)CC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591449366 347664305 /nfs/dbraw/zinc/66/43/05/347664305.db2.gz WICZSAPMFMJARV-MNOVXSKESA-N 2 2 226.320 0.623 20 0 BCADLP CCOC(=O)CC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591449366 347664308 /nfs/dbraw/zinc/66/43/08/347664308.db2.gz WICZSAPMFMJARV-MNOVXSKESA-N 2 2 226.320 0.623 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591868399 347708232 /nfs/dbraw/zinc/70/82/32/347708232.db2.gz ZJYBCBKRXIWHPK-NSHDSACASA-N 2 2 236.319 0.608 20 0 BCADLP CN(C)C(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591868399 347708235 /nfs/dbraw/zinc/70/82/35/347708235.db2.gz ZJYBCBKRXIWHPK-NSHDSACASA-N 2 2 236.319 0.608 20 0 BCADLP C[C@@H](C(=O)Nc1cc[nH+]cc1O)[NH+](C)C ZINC000679676323 488363593 /nfs/dbraw/zinc/36/35/93/488363593.db2.gz ICOPPANQNAXHQU-ZETCQYMHSA-N 2 2 209.249 0.098 20 0 BCADLP COC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000592493939 347787459 /nfs/dbraw/zinc/78/74/59/347787459.db2.gz KQXZLDZPOSYJCY-NXEZZACHSA-N 2 2 212.293 0.233 20 0 BCADLP COC(=O)[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000592493939 347787460 /nfs/dbraw/zinc/78/74/60/347787460.db2.gz KQXZLDZPOSYJCY-NXEZZACHSA-N 2 2 212.293 0.233 20 0 BCADLP COC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000592493323 347787517 /nfs/dbraw/zinc/78/75/17/347787517.db2.gz KQXZLDZPOSYJCY-ZJUUUORDSA-N 2 2 212.293 0.233 20 0 BCADLP COC(=O)[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000592493323 347787520 /nfs/dbraw/zinc/78/75/20/347787520.db2.gz KQXZLDZPOSYJCY-ZJUUUORDSA-N 2 2 212.293 0.233 20 0 BCADLP COC(=O)[C@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000592493251 347787673 /nfs/dbraw/zinc/78/76/73/347787673.db2.gz BDFXFCKALBXJFQ-WDEREUQCSA-N 2 2 226.320 0.623 20 0 BCADLP COC(=O)[C@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000592493251 347787675 /nfs/dbraw/zinc/78/76/75/347787675.db2.gz BDFXFCKALBXJFQ-WDEREUQCSA-N 2 2 226.320 0.623 20 0 BCADLP C[C@@H](C(=O)N(C)Cc1[nH]cc[nH+]1)[NH+]1CC(C)C1 ZINC000577386359 365941737 /nfs/dbraw/zinc/94/17/37/365941737.db2.gz PQRUOJUJSOZQMT-JTQLQIEISA-N 2 2 236.319 0.708 20 0 BCADLP Nc1[nH+]cnc(N2CCC[C@H]2C[NH3+])c1Cl ZINC000577370567 365936644 /nfs/dbraw/zinc/93/66/44/365936644.db2.gz WYDABNWGVMHNIM-LURJTMIESA-N 2 2 227.699 0.640 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC[NH+](C)C ZINC000594922181 348155710 /nfs/dbraw/zinc/15/57/10/348155710.db2.gz HZAGAKUMTYZADW-OPRDCNLKSA-N 2 2 214.309 0.335 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)COCC)C1 ZINC000382209666 490136518 /nfs/dbraw/zinc/13/65/18/490136518.db2.gz KZMGNPFUSNRXEW-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)COCC)C1 ZINC000382209666 490136521 /nfs/dbraw/zinc/13/65/21/490136521.db2.gz KZMGNPFUSNRXEW-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COCC)C1 ZINC000382209680 490137285 /nfs/dbraw/zinc/13/72/85/490137285.db2.gz KZMGNPFUSNRXEW-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COCC)C1 ZINC000382209680 490137292 /nfs/dbraw/zinc/13/72/92/490137292.db2.gz KZMGNPFUSNRXEW-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP C[C@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)[NH+](C)C ZINC000595143788 348199147 /nfs/dbraw/zinc/19/91/47/348199147.db2.gz FGUGSSVKZMUBTE-GHMZBOCLSA-N 2 2 237.351 0.465 20 0 BCADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ncnn1C ZINC000397548308 362892501 /nfs/dbraw/zinc/89/25/01/362892501.db2.gz XQMDQBFODULROC-UHFFFAOYSA-N 2 2 231.303 0.851 20 0 BCADLP COC(=O)[C@@H]1C[NH2+]CCC[N@@H+]1CC1CC=CC1 ZINC000595895467 348391734 /nfs/dbraw/zinc/39/17/34/348391734.db2.gz NPWMVZRDHKVRRJ-LBPRGKRZSA-N 2 2 238.331 0.790 20 0 BCADLP COC(=O)[C@@H]1C[NH2+]CCC[N@H+]1CC1CC=CC1 ZINC000595895467 348391735 /nfs/dbraw/zinc/39/17/35/348391735.db2.gz NPWMVZRDHKVRRJ-LBPRGKRZSA-N 2 2 238.331 0.790 20 0 BCADLP CCOC(=O)C12CC(C1)C[N@@H+]2CCC[NH3+] ZINC000595904676 348396182 /nfs/dbraw/zinc/39/61/82/348396182.db2.gz KKKHRNVWRONUIH-UHFFFAOYSA-N 2 2 212.293 0.363 20 0 BCADLP CCOC(=O)C12CC(C1)C[N@H+]2CCC[NH3+] ZINC000595904676 348396185 /nfs/dbraw/zinc/39/61/85/348396185.db2.gz KKKHRNVWRONUIH-UHFFFAOYSA-N 2 2 212.293 0.363 20 0 BCADLP Cc1cc[nH+]cc1CCC[NH2+]CCOCCO ZINC000289321941 179477555 /nfs/dbraw/zinc/47/75/55/179477555.db2.gz TWKLQXKVSJQIJR-UHFFFAOYSA-N 2 2 238.331 0.921 20 0 BCADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000212247902 348625056 /nfs/dbraw/zinc/62/50/56/348625056.db2.gz YQNPMXQYRYYIMA-LLVKDONJSA-N 2 2 200.326 0.831 20 0 BCADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000212247902 348625060 /nfs/dbraw/zinc/62/50/60/348625060.db2.gz YQNPMXQYRYYIMA-LLVKDONJSA-N 2 2 200.326 0.831 20 0 BCADLP COC(=O)[C@@H]1CC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000596981369 348643011 /nfs/dbraw/zinc/64/30/11/348643011.db2.gz MLKCAVIKMMNNBB-SNVBAGLBSA-N 2 2 237.303 0.723 20 0 BCADLP COC(=O)[C@@H]1CC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000596981369 348643013 /nfs/dbraw/zinc/64/30/13/348643013.db2.gz MLKCAVIKMMNNBB-SNVBAGLBSA-N 2 2 237.303 0.723 20 0 BCADLP CCC[N@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000308865466 348979975 /nfs/dbraw/zinc/97/99/75/348979975.db2.gz QOSWHQVPLABAKB-LLVKDONJSA-N 2 2 218.341 0.267 20 0 BCADLP CCC[N@@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000308865466 348979976 /nfs/dbraw/zinc/97/99/76/348979976.db2.gz QOSWHQVPLABAKB-LLVKDONJSA-N 2 2 218.341 0.267 20 0 BCADLP CCC[NH+](C)C[C@@H](O)C[N@H+](C)CCOC ZINC000308865466 348979977 /nfs/dbraw/zinc/97/99/77/348979977.db2.gz QOSWHQVPLABAKB-LLVKDONJSA-N 2 2 218.341 0.267 20 0 BCADLP CCC[NH+](C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000308865466 348979978 /nfs/dbraw/zinc/97/99/78/348979978.db2.gz QOSWHQVPLABAKB-LLVKDONJSA-N 2 2 218.341 0.267 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000249903131 349165789 /nfs/dbraw/zinc/16/57/89/349165789.db2.gz XFHSPAQFBQJSAM-GHMZBOCLSA-N 2 2 227.352 0.714 20 0 BCADLP CCCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000249903131 349165791 /nfs/dbraw/zinc/16/57/91/349165791.db2.gz XFHSPAQFBQJSAM-GHMZBOCLSA-N 2 2 227.352 0.714 20 0 BCADLP CCCn1ncnc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000250094815 349166518 /nfs/dbraw/zinc/16/65/18/349166518.db2.gz XOPUEHIYVAFZRF-MNOVXSKESA-N 2 2 237.351 0.857 20 0 BCADLP CCCn1ncnc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000250094815 349166522 /nfs/dbraw/zinc/16/65/22/349166522.db2.gz XOPUEHIYVAFZRF-MNOVXSKESA-N 2 2 237.351 0.857 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000250376325 349170258 /nfs/dbraw/zinc/17/02/58/349170258.db2.gz FKGLDNGIHHNMKJ-NXEZZACHSA-N 2 2 213.325 0.324 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000250376325 349170261 /nfs/dbraw/zinc/17/02/61/349170261.db2.gz FKGLDNGIHHNMKJ-NXEZZACHSA-N 2 2 213.325 0.324 20 0 BCADLP CC[C@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000251791040 349191501 /nfs/dbraw/zinc/19/15/01/349191501.db2.gz JURYBWYOUHFJQX-VHSXEESVSA-N 2 2 213.325 0.134 20 0 BCADLP CCn1ncnc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000250458201 349171187 /nfs/dbraw/zinc/17/11/87/349171187.db2.gz TYAZZRAIWIRBIY-NXEZZACHSA-N 2 2 223.324 0.467 20 0 BCADLP CCn1ncnc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000250458201 349171188 /nfs/dbraw/zinc/17/11/88/349171188.db2.gz TYAZZRAIWIRBIY-NXEZZACHSA-N 2 2 223.324 0.467 20 0 BCADLP C[C@@H]1C[C@@H](NC[C@H]2COCC[NH2+]2)CC[N@@H+]1C ZINC000530222439 323218638 /nfs/dbraw/zinc/21/86/38/323218638.db2.gz NDXCEAYPBHDMNI-WOPDTQHZSA-N 2 2 227.352 0.047 20 0 BCADLP C[C@@H]1C[C@@H](NC[C@H]2COCC[NH2+]2)CC[N@H+]1C ZINC000530222439 323218643 /nfs/dbraw/zinc/21/86/43/323218643.db2.gz NDXCEAYPBHDMNI-WOPDTQHZSA-N 2 2 227.352 0.047 20 0 BCADLP C[C@@H]1CC[N@H+](Cc2ncnn2C)C[C@H]1C[NH3+] ZINC000253185319 349228210 /nfs/dbraw/zinc/22/82/10/349228210.db2.gz IAUGGENEKOUDLS-NXEZZACHSA-N 2 2 223.324 0.232 20 0 BCADLP C[C@@H]1CC[N@@H+](Cc2ncnn2C)C[C@H]1C[NH3+] ZINC000253185319 349228213 /nfs/dbraw/zinc/22/82/13/349228213.db2.gz IAUGGENEKOUDLS-NXEZZACHSA-N 2 2 223.324 0.232 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309005882 349285180 /nfs/dbraw/zinc/28/51/80/349285180.db2.gz NBLALNCXZVEGQL-LPEHRKFASA-N 2 2 212.293 0.089 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309005882 349285183 /nfs/dbraw/zinc/28/51/83/349285183.db2.gz NBLALNCXZVEGQL-LPEHRKFASA-N 2 2 212.293 0.089 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000070619373 350029612 /nfs/dbraw/zinc/02/96/12/350029612.db2.gz GMYXMDYOOGDBFD-LLVKDONJSA-N 2 2 222.292 0.178 20 0 BCADLP O=C(CCCn1cc[nH+]c1)NCc1[nH]cc[nH+]1 ZINC000603870527 350047177 /nfs/dbraw/zinc/04/71/77/350047177.db2.gz RCGWHSCMMQEIBO-UHFFFAOYSA-N 2 2 233.275 0.703 20 0 BCADLP CCn1cc[nH+]c1CN(C)[C@@H]1CC[NH2+]C1 ZINC000070896134 350070887 /nfs/dbraw/zinc/07/08/87/350070887.db2.gz NEZGLYNTDMTJHG-SNVBAGLBSA-N 2 2 208.309 0.697 20 0 BCADLP Cn1cncc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334175209 538057380 /nfs/dbraw/zinc/05/73/80/538057380.db2.gz BORTZZVYBBEMRV-CYBMUJFWSA-N 2 2 234.347 0.996 20 0 BCADLP Cn1cncc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334175209 538057383 /nfs/dbraw/zinc/05/73/83/538057383.db2.gz BORTZZVYBBEMRV-CYBMUJFWSA-N 2 2 234.347 0.996 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334175209 538057388 /nfs/dbraw/zinc/05/73/88/538057388.db2.gz BORTZZVYBBEMRV-CYBMUJFWSA-N 2 2 234.347 0.996 20 0 BCADLP Cn1c[nH+]cc1CCCN1CC[NH+](C)CC1 ZINC000313881343 350166006 /nfs/dbraw/zinc/16/60/06/350166006.db2.gz AOOUZEGVHUTOGR-UHFFFAOYSA-N 2 2 222.336 0.600 20 0 BCADLP Cn1c[nH+]cc1CCC[NH+]1CCN(C)CC1 ZINC000313881343 350166011 /nfs/dbraw/zinc/16/60/11/350166011.db2.gz AOOUZEGVHUTOGR-UHFFFAOYSA-N 2 2 222.336 0.600 20 0 BCADLP Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)C[NH3+] ZINC000262472782 180103667 /nfs/dbraw/zinc/10/36/67/180103667.db2.gz ONDLAMIJHYGLDS-VIFPVBQESA-N 2 2 246.314 0.808 20 0 BCADLP CC(C)([NH3+])CCC(=O)NCc1c[nH+]c[nH]1 ZINC000084081193 490365458 /nfs/dbraw/zinc/36/54/58/490365458.db2.gz SHWHURUHKQLODZ-UHFFFAOYSA-N 2 2 210.281 0.543 20 0 BCADLP CC(C)([NH3+])CCC(=O)NCc1c[nH]c[nH+]1 ZINC000084081193 490365466 /nfs/dbraw/zinc/36/54/66/490365466.db2.gz SHWHURUHKQLODZ-UHFFFAOYSA-N 2 2 210.281 0.543 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334326430 538067501 /nfs/dbraw/zinc/06/75/01/538067501.db2.gz LFQGXBZLWVGXBJ-CYBMUJFWSA-N 2 2 234.347 0.996 20 0 BCADLP Cc1nc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc[nH+]1 ZINC000192807370 180194324 /nfs/dbraw/zinc/19/43/24/180194324.db2.gz NFNZDQPHUYEDIN-PHIMTYICSA-N 2 2 218.304 0.783 20 0 BCADLP Cc1nc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc[nH+]1 ZINC000192807370 180194326 /nfs/dbraw/zinc/19/43/26/180194326.db2.gz NFNZDQPHUYEDIN-PHIMTYICSA-N 2 2 218.304 0.783 20 0 BCADLP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261556782 535115191 /nfs/dbraw/zinc/11/51/91/535115191.db2.gz RAWWZJBOYFSNET-TUAOUCFPSA-N 2 2 239.363 0.442 20 0 BCADLP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261556782 535115196 /nfs/dbraw/zinc/11/51/96/535115196.db2.gz RAWWZJBOYFSNET-TUAOUCFPSA-N 2 2 239.363 0.442 20 0 BCADLP Cc1nc(NC2CC[NH+](CC(N)=O)CC2)cc[nH+]1 ZINC000054935970 180198220 /nfs/dbraw/zinc/19/82/20/180198220.db2.gz VZXCZQUHQKYDQW-UHFFFAOYSA-N 2 2 249.318 0.147 20 0 BCADLP Cc1nc(NC[C@@](C)(O)C[NH+](C)C)cc[nH+]1 ZINC000133069203 180200057 /nfs/dbraw/zinc/20/00/57/180200057.db2.gz OSQROUSXRCAWED-LLVKDONJSA-N 2 2 224.308 0.510 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCn2cnnc2C1 ZINC000332174444 180239923 /nfs/dbraw/zinc/23/99/23/180239923.db2.gz QUWLCTCNCQCWLA-UHFFFAOYSA-N 2 2 246.318 0.689 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+]1CCn2cnnc2C1 ZINC000332174444 180239925 /nfs/dbraw/zinc/23/99/25/180239925.db2.gz QUWLCTCNCQCWLA-UHFFFAOYSA-N 2 2 246.318 0.689 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnnn1C ZINC000290447397 180236299 /nfs/dbraw/zinc/23/62/99/180236299.db2.gz MEOLAKBYJFILSE-UHFFFAOYSA-N 2 2 248.334 0.842 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnnn1C ZINC000290447397 180236304 /nfs/dbraw/zinc/23/63/04/180236304.db2.gz MEOLAKBYJFILSE-UHFFFAOYSA-N 2 2 248.334 0.842 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn(C)nn1 ZINC000336783950 180238042 /nfs/dbraw/zinc/23/80/42/180238042.db2.gz MEOVXGOZJQFCKP-UHFFFAOYSA-N 2 2 248.334 0.842 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn(C)nn1 ZINC000336783950 180238045 /nfs/dbraw/zinc/23/80/45/180238045.db2.gz MEOVXGOZJQFCKP-UHFFFAOYSA-N 2 2 248.334 0.842 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C ZINC000309257190 350242999 /nfs/dbraw/zinc/24/29/99/350242999.db2.gz OMWDNBGEGVZWQE-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C ZINC000309257190 350243002 /nfs/dbraw/zinc/24/30/02/350243002.db2.gz OMWDNBGEGVZWQE-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1C ZINC000309257190 350243004 /nfs/dbraw/zinc/24/30/04/350243004.db2.gz OMWDNBGEGVZWQE-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1C ZINC000309257190 350243007 /nfs/dbraw/zinc/24/30/07/350243007.db2.gz OMWDNBGEGVZWQE-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP Cc1[nH+]ccn1CC[NH+]1CCC(CO)CC1 ZINC000050104805 180250067 /nfs/dbraw/zinc/25/00/67/180250067.db2.gz ASHOFPAQJCTDLJ-UHFFFAOYSA-N 2 2 223.320 0.896 20 0 BCADLP Cc1[nH+]ccn1CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283491779 180253362 /nfs/dbraw/zinc/25/33/62/180253362.db2.gz ODKNTVVGFLVZFG-NSCUHMNNSA-N 2 2 245.286 0.744 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@]12CCOC2=O ZINC000275104540 180253669 /nfs/dbraw/zinc/25/36/69/180253669.db2.gz LRCBXSPFJZAXSX-CYBMUJFWSA-N 2 2 249.314 0.973 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@]12CCOC2=O ZINC000275104540 180253672 /nfs/dbraw/zinc/25/36/72/180253672.db2.gz LRCBXSPFJZAXSX-CYBMUJFWSA-N 2 2 249.314 0.973 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000333036754 180254947 /nfs/dbraw/zinc/25/49/47/180254947.db2.gz NRGDINNOBRBHFB-ZDUSSCGKSA-N 2 2 248.330 0.404 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000333036754 180254950 /nfs/dbraw/zinc/25/49/50/180254950.db2.gz NRGDINNOBRBHFB-ZDUSSCGKSA-N 2 2 248.330 0.404 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@](F)(CO)C1 ZINC000338623095 180255932 /nfs/dbraw/zinc/25/59/32/180255932.db2.gz ARQPWUUIBFAIJN-LLVKDONJSA-N 2 2 227.283 0.598 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@](F)(CO)C1 ZINC000338623095 180255934 /nfs/dbraw/zinc/25/59/34/180255934.db2.gz ARQPWUUIBFAIJN-LLVKDONJSA-N 2 2 227.283 0.598 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362071608 180256082 /nfs/dbraw/zinc/25/60/82/180256082.db2.gz JCYUBAYKCMUMBJ-CMPLNLGQSA-N 2 2 223.320 0.752 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362071608 180256084 /nfs/dbraw/zinc/25/60/84/180256084.db2.gz JCYUBAYKCMUMBJ-CMPLNLGQSA-N 2 2 223.320 0.752 20 0 BCADLP Cc1[nH+]cn(CC[NH+]2CCOCC2)c1C ZINC000134590072 180287731 /nfs/dbraw/zinc/28/77/31/180287731.db2.gz ZBTAZCWHDOUIFS-UHFFFAOYSA-N 2 2 209.293 0.832 20 0 BCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000606372700 350321393 /nfs/dbraw/zinc/32/13/93/350321393.db2.gz UZUWFLOVCDPKDR-GFCCVEGCSA-N 2 2 248.330 0.751 20 0 BCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000606372700 350321395 /nfs/dbraw/zinc/32/13/95/350321395.db2.gz UZUWFLOVCDPKDR-GFCCVEGCSA-N 2 2 248.330 0.751 20 0 BCADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000331317373 180281529 /nfs/dbraw/zinc/28/15/29/180281529.db2.gz GDWDZBFJXHAIMD-MNOVXSKESA-N 2 2 238.335 0.358 20 0 BCADLP Cc1nccnc1[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000331317375 180283974 /nfs/dbraw/zinc/28/39/74/180283974.db2.gz GDWDZBFJXHAIMD-WDEREUQCSA-N 2 2 238.335 0.358 20 0 BCADLP C[C@H](O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000565156109 323325130 /nfs/dbraw/zinc/32/51/30/323325130.db2.gz HRVRLBSURNDOBZ-UWVGGRQHSA-N 2 2 209.293 0.590 20 0 BCADLP C[C@H](O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000565156109 323325134 /nfs/dbraw/zinc/32/51/34/323325134.db2.gz HRVRLBSURNDOBZ-UWVGGRQHSA-N 2 2 209.293 0.590 20 0 BCADLP Cc1nn(C)c(C)c1C[N@H+](C)C1CC([NH3+])C1 ZINC000335479697 180335743 /nfs/dbraw/zinc/33/57/43/180335743.db2.gz VRFYQERBOUHERE-UHFFFAOYSA-N 2 2 222.336 0.958 20 0 BCADLP Cc1nn(C)c(C)c1C[N@@H+](C)C1CC([NH3+])C1 ZINC000335479697 180335748 /nfs/dbraw/zinc/33/57/48/180335748.db2.gz VRFYQERBOUHERE-UHFFFAOYSA-N 2 2 222.336 0.958 20 0 BCADLP CNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177057093 365960868 /nfs/dbraw/zinc/96/08/68/365960868.db2.gz ULKCHYWIWOAADY-VHSXEESVSA-N 2 2 213.325 0.147 20 0 BCADLP CNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177057093 365960873 /nfs/dbraw/zinc/96/08/73/365960873.db2.gz ULKCHYWIWOAADY-VHSXEESVSA-N 2 2 213.325 0.147 20 0 BCADLP CNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177057093 365960877 /nfs/dbraw/zinc/96/08/77/365960877.db2.gz ULKCHYWIWOAADY-VHSXEESVSA-N 2 2 213.325 0.147 20 0 BCADLP CNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177057093 365960881 /nfs/dbraw/zinc/96/08/81/365960881.db2.gz ULKCHYWIWOAADY-VHSXEESVSA-N 2 2 213.325 0.147 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1CCC([NH+](C)C)CC1 ZINC000061679062 350524970 /nfs/dbraw/zinc/52/49/70/350524970.db2.gz SCXQWGUBTLSQRC-SNVBAGLBSA-N 2 2 213.325 0.276 20 0 BCADLP OCCOCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000606897879 350623338 /nfs/dbraw/zinc/62/33/38/350623338.db2.gz KRYFVVYATANIEN-LBPRGKRZSA-N 2 2 239.319 0.529 20 0 BCADLP OCCOCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000606897879 350623343 /nfs/dbraw/zinc/62/33/43/350623343.db2.gz KRYFVVYATANIEN-LBPRGKRZSA-N 2 2 239.319 0.529 20 0 BCADLP Cn1c[nH+]cc1CSC[C@@H]1C[N@H+](C)CCO1 ZINC000570964193 350668041 /nfs/dbraw/zinc/66/80/41/350668041.db2.gz HIKHIIBWPXZDPH-NSHDSACASA-N 2 2 241.360 0.984 20 0 BCADLP Cn1c[nH+]cc1CSC[C@@H]1C[N@@H+](C)CCO1 ZINC000570964193 350668042 /nfs/dbraw/zinc/66/80/42/350668042.db2.gz HIKHIIBWPXZDPH-NSHDSACASA-N 2 2 241.360 0.984 20 0 BCADLP CC(C)[C@H](O)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000308530665 191124678 /nfs/dbraw/zinc/12/46/78/191124678.db2.gz RSMGKHSLOBWJIC-HBNTYKKESA-N 2 2 200.326 0.543 20 0 BCADLP CC(C)[C@H](O)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000308530665 191124679 /nfs/dbraw/zinc/12/46/79/191124679.db2.gz RSMGKHSLOBWJIC-HBNTYKKESA-N 2 2 200.326 0.543 20 0 BCADLP CC(C)C[C@@H](C[NH2+][C@@H](C)CC(N)=O)[NH+](C)C ZINC000336682947 191125702 /nfs/dbraw/zinc/12/57/02/191125702.db2.gz SDRGVAYOHRZBOS-QWRGUYRKSA-N 2 2 229.368 0.816 20 0 BCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N1CCCC1 ZINC000577611547 366016845 /nfs/dbraw/zinc/01/68/45/366016845.db2.gz IZFINIIZMQOQKQ-GFCCVEGCSA-N 2 2 227.352 0.572 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000036236699 358460493 /nfs/dbraw/zinc/46/04/93/358460493.db2.gz LREFMSSFWCNKIB-WDEREUQCSA-N 2 2 234.303 0.094 20 0 BCADLP C[C@H](O)C[NH2+]CCCNc1cccc[nH+]1 ZINC000577622756 366022437 /nfs/dbraw/zinc/02/24/37/366022437.db2.gz QOZINOMEEGJNHR-JTQLQIEISA-N 2 2 209.293 0.854 20 0 BCADLP Cc1cn2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cc2[nH+]1 ZINC000637800814 351637137 /nfs/dbraw/zinc/63/71/37/351637137.db2.gz FSJVROGWRGZDGG-LLVKDONJSA-N 2 2 244.298 0.816 20 0 BCADLP CC(C)C[C@@H](C(=O)NCCC[NH3+])n1cc[nH+]c1 ZINC000637801182 351631778 /nfs/dbraw/zinc/63/17/78/351631778.db2.gz CHZBUBQCTXWSDZ-NSHDSACASA-N 2 2 238.335 0.935 20 0 BCADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000637848856 351706297 /nfs/dbraw/zinc/70/62/97/351706297.db2.gz LEGGJFVVRNBQDB-BBBLOLIVSA-N 2 2 236.319 0.613 20 0 BCADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000637848856 351706300 /nfs/dbraw/zinc/70/63/00/351706300.db2.gz LEGGJFVVRNBQDB-BBBLOLIVSA-N 2 2 236.319 0.613 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000637841628 351698084 /nfs/dbraw/zinc/69/80/84/351698084.db2.gz VHRDELKGCYOMHJ-DTORHVGOSA-N 2 2 236.319 0.469 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@H](C)[NH3+] ZINC000637824257 351663650 /nfs/dbraw/zinc/66/36/50/351663650.db2.gz MCNKYNUISXRMLL-ZETCQYMHSA-N 2 2 210.281 0.114 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)NCC[C@H](C)[NH3+] ZINC000637824257 351663655 /nfs/dbraw/zinc/66/36/55/351663655.db2.gz MCNKYNUISXRMLL-ZETCQYMHSA-N 2 2 210.281 0.114 20 0 BCADLP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000637861237 351721980 /nfs/dbraw/zinc/72/19/80/351721980.db2.gz DDOWXRBJZOTHKN-GMTAPVOTSA-N 2 2 248.330 0.724 20 0 BCADLP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000637861237 351721984 /nfs/dbraw/zinc/72/19/84/351721984.db2.gz DDOWXRBJZOTHKN-GMTAPVOTSA-N 2 2 248.330 0.724 20 0 BCADLP Cn1cc(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cn1 ZINC000334735573 180639935 /nfs/dbraw/zinc/63/99/35/180639935.db2.gz PTPDGMXTUHLNNY-NEPJUHHUSA-N 2 2 220.320 0.256 20 0 BCADLP Cn1cc(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cn1 ZINC000334735573 180639937 /nfs/dbraw/zinc/63/99/37/180639937.db2.gz PTPDGMXTUHLNNY-NEPJUHHUSA-N 2 2 220.320 0.256 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[NH3+] ZINC000637852116 351711189 /nfs/dbraw/zinc/71/11/89/351711189.db2.gz CFNPXCPLLXNBKK-UHFFFAOYSA-N 2 2 210.281 0.068 20 0 BCADLP CCC[C@H]([NH3+])C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000036999445 358465947 /nfs/dbraw/zinc/46/59/47/358465947.db2.gz DXILIYGNMSSOHU-ZJUUUORDSA-N 2 2 224.308 0.515 20 0 BCADLP CN(CCC[NH3+])C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000637854919 351713853 /nfs/dbraw/zinc/71/38/53/351713853.db2.gz NTDQQQCGNQILCA-RKDXNWHRSA-N 2 2 222.292 0.320 20 0 BCADLP CN(CCC[NH3+])C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000637854919 351713856 /nfs/dbraw/zinc/71/38/56/351713856.db2.gz NTDQQQCGNQILCA-RKDXNWHRSA-N 2 2 222.292 0.320 20 0 BCADLP CC[NH+]1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000279248211 351804224 /nfs/dbraw/zinc/80/42/24/351804224.db2.gz RKPSDKSKQFWZAD-UHFFFAOYSA-N 2 2 236.319 0.506 20 0 BCADLP [NH3+][C@H]1CC=C(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000638049245 351927607 /nfs/dbraw/zinc/92/76/07/351927607.db2.gz YBCQRUIUAIRSRV-NSHDSACASA-N 2 2 234.303 0.437 20 0 BCADLP CC[NH2+][C@H](C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000638051477 351928929 /nfs/dbraw/zinc/92/89/29/351928929.db2.gz IWVCSQOBARKREQ-SNVBAGLBSA-N 2 2 246.314 0.949 20 0 BCADLP CC[NH2+][C@H](C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000638077887 351950929 /nfs/dbraw/zinc/95/09/29/351950929.db2.gz XTZXHPRWTBHUPF-GHMZBOCLSA-N 2 2 238.335 0.633 20 0 BCADLP COc1cc[nH+]cc1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638090708 351968166 /nfs/dbraw/zinc/96/81/66/351968166.db2.gz KSCAQDUTRWTMMO-OIBJUYFYSA-N 2 2 237.259 0.145 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638100351 351980356 /nfs/dbraw/zinc/98/03/56/351980356.db2.gz YOMLRAYAEGITRX-CYBMUJFWSA-N 2 2 249.314 0.506 20 0 BCADLP CC(C)CC[C@H]([NH3+])C(=O)NCc1[nH]cc[nH+]1 ZINC000638115341 351991378 /nfs/dbraw/zinc/99/13/78/351991378.db2.gz QKXDRHDGNYCVEW-VIFPVBQESA-N 2 2 224.308 0.789 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000638197321 352059653 /nfs/dbraw/zinc/05/96/53/352059653.db2.gz IORZLFANHIHSJX-PHIMTYICSA-N 2 2 248.330 0.614 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000638204801 352067695 /nfs/dbraw/zinc/06/76/95/352067695.db2.gz FQYSPYAMXMWLAR-PSASIEDQSA-N 2 2 236.319 0.469 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638209987 352072739 /nfs/dbraw/zinc/07/27/39/352072739.db2.gz ZKRMVIHVSHVIEJ-ZDCRXTMVSA-N 2 2 248.330 0.770 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638209987 352072743 /nfs/dbraw/zinc/07/27/43/352072743.db2.gz ZKRMVIHVSHVIEJ-ZDCRXTMVSA-N 2 2 248.330 0.770 20 0 BCADLP CCn1ncnc1C[NH2+]CCCn1cc[nH+]c1 ZINC000638287483 352123699 /nfs/dbraw/zinc/12/36/99/352123699.db2.gz UZABUJAHFRTEDP-UHFFFAOYSA-N 2 2 234.307 0.674 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000638247561 352093545 /nfs/dbraw/zinc/09/35/45/352093545.db2.gz OKZSEZZZWCUUQK-QWRGUYRKSA-N 2 2 248.330 0.471 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000638248652 352094590 /nfs/dbraw/zinc/09/45/90/352094590.db2.gz RIHROKIRENDKQZ-IUCAKERBSA-N 2 2 240.282 0.077 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000638257754 352101194 /nfs/dbraw/zinc/10/11/94/352101194.db2.gz WHYOJIFZPZKPAP-RQJHMYQMSA-N 2 2 210.281 0.113 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000638257754 352101196 /nfs/dbraw/zinc/10/11/96/352101196.db2.gz WHYOJIFZPZKPAP-RQJHMYQMSA-N 2 2 210.281 0.113 20 0 BCADLP CC[C@H]([NH3+])CNC(=O)Cc1[nH+]c[nH]c1C ZINC000638260254 352104537 /nfs/dbraw/zinc/10/45/37/352104537.db2.gz XKELTUVPUYPVRX-QMMMGPOBSA-N 2 2 210.281 0.114 20 0 BCADLP CC[NH2+][C@@H](C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000638270415 352108127 /nfs/dbraw/zinc/10/81/27/352108127.db2.gz DSJDAKRWLJUOND-VIFPVBQESA-N 2 2 224.308 0.377 20 0 BCADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@]1(OC)CCOC1 ZINC000638281668 352116248 /nfs/dbraw/zinc/11/62/48/352116248.db2.gz VIBSLEHUGDVHQT-QWHCGFSZSA-N 2 2 242.363 0.866 20 0 BCADLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@]1(OC)CCOC1 ZINC000638281668 352116251 /nfs/dbraw/zinc/11/62/51/352116251.db2.gz VIBSLEHUGDVHQT-QWHCGFSZSA-N 2 2 242.363 0.866 20 0 BCADLP c1[nH]c(C[NH2+][C@H]2COC[C@H]2C2CC2)c[nH+]1 ZINC000725270223 538102151 /nfs/dbraw/zinc/10/21/51/538102151.db2.gz YWLADRJBCFNIEM-QWRGUYRKSA-N 2 2 207.277 0.924 20 0 BCADLP CC[NH2+][C@@H](C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000638428970 352237042 /nfs/dbraw/zinc/23/70/42/352237042.db2.gz FWXJDSRQRGHDDU-BDAKNGLRSA-N 2 2 224.308 0.595 20 0 BCADLP C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)c1[nH+]ccn1C ZINC000638431397 352239167 /nfs/dbraw/zinc/23/91/67/352239167.db2.gz UBCAGXQKOOHEMV-WCBMZHEXSA-N 2 2 234.303 0.645 20 0 BCADLP CC[NH2+][C@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000638404001 352210641 /nfs/dbraw/zinc/21/06/41/352210641.db2.gz WZDQUMIKHCCEQG-MRVPVSSYSA-N 2 2 210.281 0.366 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH3+])CCCC1 ZINC000638408482 352215681 /nfs/dbraw/zinc/21/56/81/352215681.db2.gz BYBYSHJCACEQDD-UHFFFAOYSA-N 2 2 236.319 0.648 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)NCC1([NH3+])CCCC1 ZINC000638408482 352215684 /nfs/dbraw/zinc/21/56/84/352215684.db2.gz BYBYSHJCACEQDD-UHFFFAOYSA-N 2 2 236.319 0.648 20 0 BCADLP CCn1ncnc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000638437584 352245384 /nfs/dbraw/zinc/24/53/84/352245384.db2.gz OQQYYXYORWGSCN-LLVKDONJSA-N 2 2 248.334 0.920 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000638435572 352245979 /nfs/dbraw/zinc/24/59/79/352245979.db2.gz CZEYVEXXSRNUCP-LLVKDONJSA-N 2 2 222.292 0.129 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000638435572 352245980 /nfs/dbraw/zinc/24/59/80/352245980.db2.gz CZEYVEXXSRNUCP-LLVKDONJSA-N 2 2 222.292 0.129 20 0 BCADLP C[C@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)c2[nH+]ccn21 ZINC000627053107 363172066 /nfs/dbraw/zinc/17/20/66/363172066.db2.gz XOFFKFCZSAMEGB-IVZWLZJFSA-N 2 2 249.318 0.550 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1CC=CC1 ZINC000638493649 352310520 /nfs/dbraw/zinc/31/05/20/352310520.db2.gz KGOYHGGSWVHAMR-LLVKDONJSA-N 2 2 225.336 0.348 20 0 BCADLP CCn1cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cn1 ZINC000414931988 352338315 /nfs/dbraw/zinc/33/83/15/352338315.db2.gz QNWWUMGKESMPCL-ZYHUDNBSSA-N 2 2 222.336 0.991 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cn(C)nn2)[C@@H](C)C1 ZINC000607957050 352468030 /nfs/dbraw/zinc/46/80/30/352468030.db2.gz VQQNIKKBWKLNIW-CMPLNLGQSA-N 2 2 237.351 0.635 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cn(C)nn2)[C@@H](C)C1 ZINC000607957050 352468034 /nfs/dbraw/zinc/46/80/34/352468034.db2.gz VQQNIKKBWKLNIW-CMPLNLGQSA-N 2 2 237.351 0.635 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c[nH+]1 ZINC000638644639 352488263 /nfs/dbraw/zinc/48/82/63/352488263.db2.gz QRCVXDGAKQVSBO-CBAPKCEASA-N 2 2 222.292 0.588 20 0 BCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCC[NH2+]C1 ZINC000044501657 352653529 /nfs/dbraw/zinc/65/35/29/352653529.db2.gz KGCILWPAZMPZBH-LLVKDONJSA-N 2 2 236.319 0.389 20 0 BCADLP Cn1cc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)cn1 ZINC000042489390 352622610 /nfs/dbraw/zinc/62/26/10/352622610.db2.gz CZDNHSZXURXCAT-LLVKDONJSA-N 2 2 222.336 0.852 20 0 BCADLP Cn1cc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cn1 ZINC000042489390 352622611 /nfs/dbraw/zinc/62/26/11/352622611.db2.gz CZDNHSZXURXCAT-LLVKDONJSA-N 2 2 222.336 0.852 20 0 BCADLP Cc1c[nH+]c(CN2C[C@@H]3C[NH+](C)C[C@H]3C2)n1C ZINC000342846715 352873241 /nfs/dbraw/zinc/87/32/41/352873241.db2.gz NWWFXCDNKQQQFF-RYUDHWBXSA-N 2 2 234.347 0.722 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000334251482 352887783 /nfs/dbraw/zinc/88/77/83/352887783.db2.gz IKRCRCUWHICFQA-VXGBXAGGSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000334251482 352887785 /nfs/dbraw/zinc/88/77/85/352887785.db2.gz IKRCRCUWHICFQA-VXGBXAGGSA-N 2 2 234.347 0.946 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CCCC12CC2 ZINC000638834131 353007933 /nfs/dbraw/zinc/00/79/33/353007933.db2.gz LZSNTZLILDHWDL-MNOVXSKESA-N 2 2 239.363 0.714 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000261564792 535198192 /nfs/dbraw/zinc/19/81/92/535198192.db2.gz CRSDKQGNMLESHV-LBPRGKRZSA-N 3 2 211.353 0.799 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000261564792 535198196 /nfs/dbraw/zinc/19/81/96/535198196.db2.gz CRSDKQGNMLESHV-LBPRGKRZSA-N 3 2 211.353 0.799 20 0 BCADLP C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)n1cc[nH+]c1 ZINC000638917677 353081831 /nfs/dbraw/zinc/08/18/31/353081831.db2.gz RWDUHFGOQZFPHY-DCAQKATOSA-N 2 2 234.303 0.407 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@]12C[C@H]1CCCC2 ZINC000638972950 353178158 /nfs/dbraw/zinc/17/81/58/353178158.db2.gz JBRGZBNJEKFTQM-NTZNESFSSA-N 2 2 239.363 0.714 20 0 BCADLP CC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000330671605 353179011 /nfs/dbraw/zinc/17/90/11/353179011.db2.gz FKBRZAOFQQCTPF-UHFFFAOYSA-N 2 2 236.319 0.484 20 0 BCADLP CCn1cc[nH+]c1CN1CC[NH2+][C@@H](C)C1 ZINC000083814864 353181252 /nfs/dbraw/zinc/18/12/52/353181252.db2.gz MKLFZARMJGWPMC-JTQLQIEISA-N 2 2 208.309 0.697 20 0 BCADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000132117835 188144664 /nfs/dbraw/zinc/14/46/64/188144664.db2.gz CPQJEYDHWHKBRW-GHMZBOCLSA-N 2 2 209.293 0.898 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+]Cc1nccn1C ZINC000070797700 188130141 /nfs/dbraw/zinc/13/01/41/188130141.db2.gz VCVJNPVBQNGICO-UHFFFAOYSA-N 2 2 219.292 0.715 20 0 BCADLP CCCS(=O)(=O)CC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000226418918 188154728 /nfs/dbraw/zinc/15/47/28/188154728.db2.gz FYIKTRXAMZCBDV-NSHDSACASA-N 2 2 248.392 0.482 20 0 BCADLP CCCS(=O)(=O)CC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000226418918 188154730 /nfs/dbraw/zinc/15/47/30/188154730.db2.gz FYIKTRXAMZCBDV-NSHDSACASA-N 2 2 248.392 0.482 20 0 BCADLP COC[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000162153214 538111744 /nfs/dbraw/zinc/11/17/44/538111744.db2.gz ZBEPHDOUZROQJI-NSHDSACASA-N 2 2 209.293 0.994 20 0 BCADLP COC[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000162153214 538111745 /nfs/dbraw/zinc/11/17/45/538111745.db2.gz ZBEPHDOUZROQJI-NSHDSACASA-N 2 2 209.293 0.994 20 0 BCADLP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCCNC1=O ZINC000336553888 188231514 /nfs/dbraw/zinc/23/15/14/188231514.db2.gz YPMSBXYVLWFQOE-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCCNC1=O ZINC000336553888 188231516 /nfs/dbraw/zinc/23/15/16/188231516.db2.gz YPMSBXYVLWFQOE-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCNC1=O ZINC000336553888 188231518 /nfs/dbraw/zinc/23/15/18/188231518.db2.gz YPMSBXYVLWFQOE-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCNC1=O ZINC000336553888 188231519 /nfs/dbraw/zinc/23/15/19/188231519.db2.gz YPMSBXYVLWFQOE-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251844998 353292917 /nfs/dbraw/zinc/29/29/17/353292917.db2.gz MALOXJWRGHYYPB-OUAUKWLOSA-N 2 2 227.352 0.570 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251844998 353292921 /nfs/dbraw/zinc/29/29/21/353292921.db2.gz MALOXJWRGHYYPB-OUAUKWLOSA-N 2 2 227.352 0.570 20 0 BCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccnn1C ZINC000253191545 353317733 /nfs/dbraw/zinc/31/77/33/353317733.db2.gz MEHGHSIOTSYCJR-ZYHUDNBSSA-N 2 2 222.336 0.850 20 0 BCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccnn1C ZINC000253191545 353317734 /nfs/dbraw/zinc/31/77/34/353317734.db2.gz MEHGHSIOTSYCJR-ZYHUDNBSSA-N 2 2 222.336 0.850 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000563713881 353358173 /nfs/dbraw/zinc/35/81/73/353358173.db2.gz MXKFWNPVZOLCPV-VXGBXAGGSA-N 3 2 227.352 0.036 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000563713881 353358174 /nfs/dbraw/zinc/35/81/74/353358174.db2.gz MXKFWNPVZOLCPV-VXGBXAGGSA-N 3 2 227.352 0.036 20 0 BCADLP CC(C)[N@H+](C)CCC[NH2+]Cc1cnnn1C ZINC000165492438 353362028 /nfs/dbraw/zinc/36/20/28/353362028.db2.gz QCHRGSVOBHQMQA-UHFFFAOYSA-N 2 2 225.340 0.635 20 0 BCADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cnnn1C ZINC000165492438 353362030 /nfs/dbraw/zinc/36/20/30/353362030.db2.gz QCHRGSVOBHQMQA-UHFFFAOYSA-N 2 2 225.340 0.635 20 0 BCADLP Cc1nnsc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000639049456 353344305 /nfs/dbraw/zinc/34/43/05/353344305.db2.gz RPKWAIGWCYYYDJ-SNVBAGLBSA-N 2 2 242.348 0.003 20 0 BCADLP Cc1nnsc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000639049456 353344307 /nfs/dbraw/zinc/34/43/07/353344307.db2.gz RPKWAIGWCYYYDJ-SNVBAGLBSA-N 2 2 242.348 0.003 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085283536 538116436 /nfs/dbraw/zinc/11/64/36/538116436.db2.gz OMZCAHSLJCBIRJ-TXEJJXNPSA-N 3 2 220.320 0.343 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085283536 538116437 /nfs/dbraw/zinc/11/64/37/538116437.db2.gz OMZCAHSLJCBIRJ-TXEJJXNPSA-N 3 2 220.320 0.343 20 0 BCADLP O=C1C[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)CCCN1 ZINC000639071196 353387041 /nfs/dbraw/zinc/38/70/41/353387041.db2.gz HRUBKXUSQHTXOV-GHMZBOCLSA-N 2 2 248.330 0.456 20 0 BCADLP CC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(F)F ZINC000639078230 353403688 /nfs/dbraw/zinc/40/36/88/353403688.db2.gz YAIODXSEAATKKY-SFYZADRCSA-N 2 2 237.294 0.425 20 0 BCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(=O)NC ZINC000336775309 353441017 /nfs/dbraw/zinc/44/10/17/353441017.db2.gz YRHWOVKDGMBMEW-GHMZBOCLSA-N 2 2 227.352 0.585 20 0 BCADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(=O)NC ZINC000336775309 353441020 /nfs/dbraw/zinc/44/10/20/353441020.db2.gz YRHWOVKDGMBMEW-GHMZBOCLSA-N 2 2 227.352 0.585 20 0 BCADLP CC(C)N1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1=O ZINC000335651003 535238815 /nfs/dbraw/zinc/23/88/15/535238815.db2.gz NDVPKZOVBWUVMX-GHMZBOCLSA-N 2 2 225.336 0.337 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H]1C1CC1 ZINC000577865420 366091609 /nfs/dbraw/zinc/09/16/09/366091609.db2.gz AMDJRDPMSVYBRE-NEPJUHHUSA-N 2 2 212.337 0.783 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H]1C1CC1 ZINC000577865420 366091611 /nfs/dbraw/zinc/09/16/11/366091611.db2.gz AMDJRDPMSVYBRE-NEPJUHHUSA-N 2 2 212.337 0.783 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H]1C1CC1 ZINC000577865420 366091612 /nfs/dbraw/zinc/09/16/12/366091612.db2.gz AMDJRDPMSVYBRE-NEPJUHHUSA-N 2 2 212.337 0.783 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H]1C1CC1 ZINC000577865420 366091613 /nfs/dbraw/zinc/09/16/13/366091613.db2.gz AMDJRDPMSVYBRE-NEPJUHHUSA-N 2 2 212.337 0.783 20 0 BCADLP C[C@H]1C[N@H+](C)CCN1C(=O)c1c[nH+]ccc1N ZINC000232228740 353702866 /nfs/dbraw/zinc/70/28/66/353702866.db2.gz UVENHELGRFOGOM-VIFPVBQESA-N 2 2 234.303 0.440 20 0 BCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)c1c[nH+]ccc1N ZINC000232228740 353702867 /nfs/dbraw/zinc/70/28/67/353702867.db2.gz UVENHELGRFOGOM-VIFPVBQESA-N 2 2 234.303 0.440 20 0 BCADLP CCCNC(=O)CC[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000343424265 353881438 /nfs/dbraw/zinc/88/14/38/353881438.db2.gz AIEUCWXEJPXJHL-RYUDHWBXSA-N 2 2 241.379 0.833 20 0 BCADLP CCCNC(=O)CC[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000343424265 353881441 /nfs/dbraw/zinc/88/14/41/353881441.db2.gz AIEUCWXEJPXJHL-RYUDHWBXSA-N 2 2 241.379 0.833 20 0 BCADLP CC(C)COC[C@H](O)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000343710223 353968942 /nfs/dbraw/zinc/96/89/42/353968942.db2.gz JJKMHWQIMHBEFK-UPJWGTAASA-N 2 2 244.379 0.560 20 0 BCADLP CC(C)COC[C@H](O)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000343710223 353968945 /nfs/dbraw/zinc/96/89/45/353968945.db2.gz JJKMHWQIMHBEFK-UPJWGTAASA-N 2 2 244.379 0.560 20 0 BCADLP CC(C)N1CCC[C@H]([N@@H+]2CCC[C@@H]2C[NH3+])C1=O ZINC000334555050 353999432 /nfs/dbraw/zinc/99/94/32/353999432.db2.gz FWEIIIKKQPEUAK-NEPJUHHUSA-N 2 2 239.363 0.809 20 0 BCADLP CC(C)N1CCC[C@H]([N@H+]2CCC[C@@H]2C[NH3+])C1=O ZINC000334555050 353999436 /nfs/dbraw/zinc/99/94/36/353999436.db2.gz FWEIIIKKQPEUAK-NEPJUHHUSA-N 2 2 239.363 0.809 20 0 BCADLP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623176238 354009281 /nfs/dbraw/zinc/00/92/81/354009281.db2.gz PVWZVOWEIYGJMQ-VHSXEESVSA-N 2 2 236.319 0.251 20 0 BCADLP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623176236 354009463 /nfs/dbraw/zinc/00/94/63/354009463.db2.gz PVWZVOWEIYGJMQ-NXEZZACHSA-N 2 2 236.319 0.251 20 0 BCADLP [NH3+]C1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000623177334 354071082 /nfs/dbraw/zinc/07/10/82/354071082.db2.gz RYPUMXNZESOMBP-JTQLQIEISA-N 2 2 248.330 0.443 20 0 BCADLP [NH3+][C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000623177401 354071849 /nfs/dbraw/zinc/07/18/49/354071849.db2.gz WMCRGOHIPSAVFX-GHMZBOCLSA-N 2 2 248.330 0.299 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCN(C)CCOC)C1 ZINC000343894344 354051849 /nfs/dbraw/zinc/05/18/49/354051849.db2.gz RQNGRGFUPMSBKD-QWHCGFSZSA-N 2 2 243.395 0.494 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCN(C)CCOC)C1 ZINC000343894344 354051850 /nfs/dbraw/zinc/05/18/50/354051850.db2.gz RQNGRGFUPMSBKD-QWHCGFSZSA-N 2 2 243.395 0.494 20 0 BCADLP Cc1nc2n(n1)C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC000344052961 354124175 /nfs/dbraw/zinc/12/41/75/354124175.db2.gz DUNOHPVDPSJLHF-JLLWLGSASA-N 2 2 249.362 0.441 20 0 BCADLP Cc1nc2n(n1)C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC000344052961 354124177 /nfs/dbraw/zinc/12/41/77/354124177.db2.gz DUNOHPVDPSJLHF-JLLWLGSASA-N 2 2 249.362 0.441 20 0 BCADLP C[C@H]1C[C@H](CO)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000344162170 354168377 /nfs/dbraw/zinc/16/83/77/354168377.db2.gz ZANNTXXMKVZNCP-NWDGAFQWSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H]1C[C@H](CO)CC[N@H+]1CCn1cc[nH+]c1 ZINC000344162170 354168380 /nfs/dbraw/zinc/16/83/80/354168380.db2.gz ZANNTXXMKVZNCP-NWDGAFQWSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000449740187 202013012 /nfs/dbraw/zinc/01/30/12/202013012.db2.gz NYQZRCGKXQXRBB-YUSALJHKSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000449740187 202013016 /nfs/dbraw/zinc/01/30/16/202013016.db2.gz NYQZRCGKXQXRBB-YUSALJHKSA-N 2 2 212.337 0.687 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cnnn2C)[C@@H](C)C1 ZINC000344542808 354312392 /nfs/dbraw/zinc/31/23/92/354312392.db2.gz FBQIHZZEXDXSBH-JQWIXIFHSA-N 2 2 237.351 0.635 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cnnn2C)[C@@H](C)C1 ZINC000344542808 354312394 /nfs/dbraw/zinc/31/23/94/354312394.db2.gz FBQIHZZEXDXSBH-JQWIXIFHSA-N 2 2 237.351 0.635 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCO[C@@H]1CCOC1 ZINC000344626156 354329962 /nfs/dbraw/zinc/32/99/62/354329962.db2.gz BWGVYLOKGKYOCV-JHJVBQTASA-N 2 2 242.363 0.722 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCO[C@@H]1CCOC1 ZINC000344626156 354329966 /nfs/dbraw/zinc/32/99/66/354329966.db2.gz BWGVYLOKGKYOCV-JHJVBQTASA-N 2 2 242.363 0.722 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@]1(CCO)CCOC1 ZINC000344799975 354376427 /nfs/dbraw/zinc/37/64/27/354376427.db2.gz VTKYODSJKYOMAK-AGIUHOORSA-N 2 2 242.363 0.315 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@]1(CCO)CCOC1 ZINC000344799975 354376430 /nfs/dbraw/zinc/37/64/30/354376430.db2.gz VTKYODSJKYOMAK-AGIUHOORSA-N 2 2 242.363 0.315 20 0 BCADLP OC1(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000578065163 366212787 /nfs/dbraw/zinc/21/27/87/366212787.db2.gz MJKOQXWCDHNDFC-SECBINFHSA-N 2 2 221.304 0.772 20 0 BCADLP OC1(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000578065163 366212790 /nfs/dbraw/zinc/21/27/90/366212790.db2.gz MJKOQXWCDHNDFC-SECBINFHSA-N 2 2 221.304 0.772 20 0 BCADLP O=C1[C@H]([N@@H+]2CCC[NH2+]CC2)CCN1C1CC1 ZINC000334660238 354459505 /nfs/dbraw/zinc/45/95/05/354459505.db2.gz GBBHHYROHYYBGC-LLVKDONJSA-N 2 2 223.320 0.045 20 0 BCADLP O=C1[C@H]([N@H+]2CCC[NH2+]CC2)CCN1C1CC1 ZINC000334660238 354459506 /nfs/dbraw/zinc/45/95/06/354459506.db2.gz GBBHHYROHYYBGC-LLVKDONJSA-N 2 2 223.320 0.045 20 0 BCADLP O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2CCCn1cc[nH+]c1 ZINC000366915224 354770270 /nfs/dbraw/zinc/77/02/70/354770270.db2.gz RXLRSRDJJBYBRW-VXGBXAGGSA-N 2 2 248.330 0.484 20 0 BCADLP O=C1NC[C@@H]2[C@H]1CCC[N@H+]2CCCn1cc[nH+]c1 ZINC000366915224 354770271 /nfs/dbraw/zinc/77/02/71/354770271.db2.gz RXLRSRDJJBYBRW-VXGBXAGGSA-N 2 2 248.330 0.484 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000383659112 354804260 /nfs/dbraw/zinc/80/42/60/354804260.db2.gz IWVIYCJIACSREH-GVXVVHGQSA-N 2 2 240.347 0.999 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000383659112 354804265 /nfs/dbraw/zinc/80/42/65/354804265.db2.gz IWVIYCJIACSREH-GVXVVHGQSA-N 2 2 240.347 0.999 20 0 BCADLP Cc1ccc(CCC[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c[nH+]1 ZINC000345999678 354836358 /nfs/dbraw/zinc/83/63/58/354836358.db2.gz WQNUBHKZXZWDRG-UONOGXRCSA-N 3 2 249.358 0.493 20 0 BCADLP OC[C@@H]1C[C@@H](F)C[N@@H+]1CCC[NH+]1CCCC1 ZINC000346392174 354908515 /nfs/dbraw/zinc/90/85/15/354908515.db2.gz ZUFHGKSPKIGYPY-NEPJUHHUSA-N 2 2 230.327 0.877 20 0 BCADLP OC[C@@H]1C[C@@H](F)C[N@H+]1CCC[NH+]1CCCC1 ZINC000346392174 354908517 /nfs/dbraw/zinc/90/85/17/354908517.db2.gz ZUFHGKSPKIGYPY-NEPJUHHUSA-N 2 2 230.327 0.877 20 0 BCADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)CC[N@@H+]1C ZINC000639224803 354984094 /nfs/dbraw/zinc/98/40/94/354984094.db2.gz QLWSMQFVIVBHBR-DCAQKATOSA-N 2 2 225.336 0.337 20 0 BCADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)CC[N@H+]1C ZINC000639224803 354984096 /nfs/dbraw/zinc/98/40/96/354984096.db2.gz QLWSMQFVIVBHBR-DCAQKATOSA-N 2 2 225.336 0.337 20 0 BCADLP C(C[NH2+]C[C@@H]1CCCOC1)C[NH+]1CCOCC1 ZINC000113463016 355006771 /nfs/dbraw/zinc/00/67/71/355006771.db2.gz XELLSWUQOJFJQN-ZDUSSCGKSA-N 2 2 242.363 0.725 20 0 BCADLP COC(=O)c1ccc(C[NH+]2CCC([NH3+])CC2)[nH]1 ZINC000346640201 355016345 /nfs/dbraw/zinc/01/63/45/355016345.db2.gz KWEBECQYEHIICX-UHFFFAOYSA-N 2 2 237.303 0.724 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000335230442 355073295 /nfs/dbraw/zinc/07/32/95/355073295.db2.gz VAIFCDPAPYIRIH-RYUDHWBXSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000335230442 355073296 /nfs/dbraw/zinc/07/32/96/355073296.db2.gz VAIFCDPAPYIRIH-RYUDHWBXSA-N 2 2 239.363 0.668 20 0 BCADLP Cn1nnc2cc(C[N@@H+]3CCC[NH2+]CC3)ccc21 ZINC000346692113 355075698 /nfs/dbraw/zinc/07/56/98/355075698.db2.gz ZBCGAZNSWGJUGU-UHFFFAOYSA-N 2 2 245.330 0.764 20 0 BCADLP Cn1nnc2cc(C[N@H+]3CCC[NH2+]CC3)ccc21 ZINC000346692113 355075701 /nfs/dbraw/zinc/07/57/01/355075701.db2.gz ZBCGAZNSWGJUGU-UHFFFAOYSA-N 2 2 245.330 0.764 20 0 BCADLP CCOC(=O)C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000366956054 355105838 /nfs/dbraw/zinc/10/58/38/355105838.db2.gz WSZUWYGAFYMOMZ-NEPJUHHUSA-N 2 2 240.347 0.966 20 0 BCADLP CCOC(=O)C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000366956054 355105841 /nfs/dbraw/zinc/10/58/41/355105841.db2.gz WSZUWYGAFYMOMZ-NEPJUHHUSA-N 2 2 240.347 0.966 20 0 BCADLP CCOC(=O)C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000366956054 355105843 /nfs/dbraw/zinc/10/58/43/355105843.db2.gz WSZUWYGAFYMOMZ-NEPJUHHUSA-N 2 2 240.347 0.966 20 0 BCADLP CCOC(=O)C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000366956054 355105845 /nfs/dbraw/zinc/10/58/45/355105845.db2.gz WSZUWYGAFYMOMZ-NEPJUHHUSA-N 2 2 240.347 0.966 20 0 BCADLP CC(C)C(=O)NC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000346818088 355122834 /nfs/dbraw/zinc/12/28/34/355122834.db2.gz FYVMWFUQLDHCJR-UHFFFAOYSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000449756858 202023601 /nfs/dbraw/zinc/02/36/01/202023601.db2.gz XDVJXUTVDMAVOE-GAIPPQHRSA-N 2 2 210.321 0.582 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000449756858 202023604 /nfs/dbraw/zinc/02/36/04/202023604.db2.gz XDVJXUTVDMAVOE-GAIPPQHRSA-N 2 2 210.321 0.582 20 0 BCADLP COC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346831264 355128455 /nfs/dbraw/zinc/12/84/55/355128455.db2.gz KIQVOIDRYSXPLL-MNOVXSKESA-N 2 2 226.320 0.623 20 0 BCADLP COC(=O)[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346831264 355128457 /nfs/dbraw/zinc/12/84/57/355128457.db2.gz KIQVOIDRYSXPLL-MNOVXSKESA-N 2 2 226.320 0.623 20 0 BCADLP FC(F)CN1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346850037 355138127 /nfs/dbraw/zinc/13/81/27/355138127.db2.gz PDEYAAXQKPGOTK-LLVKDONJSA-N 2 2 247.333 0.869 20 0 BCADLP CCC[C@H]1C(=O)NCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346998154 355195866 /nfs/dbraw/zinc/19/58/66/355195866.db2.gz FHQNPDRQMGQUBN-RYUDHWBXSA-N 2 2 239.363 0.587 20 0 BCADLP CCC[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346998154 355195870 /nfs/dbraw/zinc/19/58/70/355195870.db2.gz FHQNPDRQMGQUBN-RYUDHWBXSA-N 2 2 239.363 0.587 20 0 BCADLP C[C@@H]1C[N@H+](Cc2cnc(N(C)C)nc2)CC[C@H]1[NH3+] ZINC000347003707 355200704 /nfs/dbraw/zinc/20/07/04/355200704.db2.gz LRDPTQROINLHLB-ZYHUDNBSSA-N 2 2 249.362 0.712 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2cnc(N(C)C)nc2)CC[C@H]1[NH3+] ZINC000347003707 355200706 /nfs/dbraw/zinc/20/07/06/355200706.db2.gz LRDPTQROINLHLB-ZYHUDNBSSA-N 2 2 249.362 0.712 20 0 BCADLP Cc1cccc2[nH+]c(CNC(=O)[C@@H]3C[C@@H]3[NH3+])cn21 ZINC000335281532 355271787 /nfs/dbraw/zinc/27/17/87/355271787.db2.gz PTHGSOJYADIFSU-MNOVXSKESA-N 2 2 244.298 0.606 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515946 355253088 /nfs/dbraw/zinc/25/30/88/355253088.db2.gz ANOHMOXJDMPRKA-GFCCVEGCSA-N 2 2 241.379 0.738 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515946 355253094 /nfs/dbraw/zinc/25/30/94/355253094.db2.gz ANOHMOXJDMPRKA-GFCCVEGCSA-N 2 2 241.379 0.738 20 0 BCADLP Cn1cc(C[NH2+][C@H]2CCCC[NH2+]C2)cn1 ZINC000335641516 355329636 /nfs/dbraw/zinc/32/96/36/355329636.db2.gz GYLDATZXVRTZNE-NSHDSACASA-N 2 2 208.309 0.652 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)C[N@@H+]1C1CC1 ZINC000623749880 355369687 /nfs/dbraw/zinc/36/96/87/355369687.db2.gz RZDIIZNMEDFFCB-UZWSLXQKSA-N 2 2 224.348 0.972 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)C[N@H+]1C1CC1 ZINC000623749880 355369690 /nfs/dbraw/zinc/36/96/90/355369690.db2.gz RZDIIZNMEDFFCB-UZWSLXQKSA-N 2 2 224.348 0.972 20 0 BCADLP CO[C@@H](C[NH2+]CC1([NH+](C)C)CC1)[C@H]1CCOC1 ZINC000639271668 355340035 /nfs/dbraw/zinc/34/00/35/355340035.db2.gz PEGIBIZQZZHTGP-RYUDHWBXSA-N 2 2 242.363 0.722 20 0 BCADLP C[C@H]1C[N@H+](C)CCN1CCCc1c[nH+]cn1C ZINC000583507554 355343914 /nfs/dbraw/zinc/34/39/14/355343914.db2.gz BKASTKRTPRPBGH-LBPRGKRZSA-N 2 2 236.363 0.989 20 0 BCADLP C[C@H]1C[N@@H+](C)CCN1CCCc1c[nH+]cn1C ZINC000583507554 355343917 /nfs/dbraw/zinc/34/39/17/355343917.db2.gz BKASTKRTPRPBGH-LBPRGKRZSA-N 2 2 236.363 0.989 20 0 BCADLP C[C@H]1CN(C)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000583507554 355343919 /nfs/dbraw/zinc/34/39/19/355343919.db2.gz BKASTKRTPRPBGH-LBPRGKRZSA-N 2 2 236.363 0.989 20 0 BCADLP C[C@H]1CN(C)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000583507554 355343924 /nfs/dbraw/zinc/34/39/24/355343924.db2.gz BKASTKRTPRPBGH-LBPRGKRZSA-N 2 2 236.363 0.989 20 0 BCADLP CCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000335812462 355499165 /nfs/dbraw/zinc/49/91/65/355499165.db2.gz UGUAHCAZFMEEDJ-NSHDSACASA-N 2 2 225.336 0.293 20 0 BCADLP CCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000335812462 355499168 /nfs/dbraw/zinc/49/91/68/355499168.db2.gz UGUAHCAZFMEEDJ-NSHDSACASA-N 2 2 225.336 0.293 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000349933847 355530646 /nfs/dbraw/zinc/53/06/46/355530646.db2.gz JXRINYUJQQMXDD-NSHDSACASA-N 2 2 238.335 0.921 20 0 BCADLP O=C(NCc1cn2ccccc2[nH+]1)[C@H]1CC[NH2+]1 ZINC000335823666 355544426 /nfs/dbraw/zinc/54/44/26/355544426.db2.gz QCTOAIRQIHOMJI-SNVBAGLBSA-N 2 2 230.271 0.312 20 0 BCADLP O[C@H]1C[N@H+](CCn2cc[nH+]c2)CC12CC2 ZINC000335858776 355603945 /nfs/dbraw/zinc/60/39/45/355603945.db2.gz KHODPCZYXCZNGR-JTQLQIEISA-N 2 2 207.277 0.340 20 0 BCADLP O[C@H]1C[N@@H+](CCn2cc[nH+]c2)CC12CC2 ZINC000335858776 355603948 /nfs/dbraw/zinc/60/39/48/355603948.db2.gz KHODPCZYXCZNGR-JTQLQIEISA-N 2 2 207.277 0.340 20 0 BCADLP C[N@@H+](Cc1ccc(=O)[nH]c1)CC1C[NH+](C)C1 ZINC000639308964 355665063 /nfs/dbraw/zinc/66/50/63/355665063.db2.gz ICNRDUYTWMNGEK-UHFFFAOYSA-N 2 2 221.304 0.781 20 0 BCADLP C[N@H+](Cc1ccc(=O)[nH]c1)CC1C[NH+](C)C1 ZINC000639308964 355665064 /nfs/dbraw/zinc/66/50/64/355665064.db2.gz ICNRDUYTWMNGEK-UHFFFAOYSA-N 2 2 221.304 0.781 20 0 BCADLP NC(=O)[C@H]1CSCC[N@@H+]1CCn1cc[nH+]c1 ZINC000330646710 181204792 /nfs/dbraw/zinc/20/47/92/181204792.db2.gz IVPOAURCSMMKJX-SECBINFHSA-N 2 2 240.332 0.836 20 0 BCADLP NC(=O)[C@H]1CSCC[N@H+]1CCn1cc[nH+]c1 ZINC000330646710 181204794 /nfs/dbraw/zinc/20/47/94/181204794.db2.gz IVPOAURCSMMKJX-SECBINFHSA-N 2 2 240.332 0.836 20 0 BCADLP Cc1[nH]c(CN2CC[N@@H+](C)C[C@H]2CO)[nH+]c1C ZINC000639334697 355765001 /nfs/dbraw/zinc/76/50/01/355765001.db2.gz URRDOZPQMMIECE-NSHDSACASA-N 2 2 238.335 0.135 20 0 BCADLP Cc1[nH]c(CN2CC[N@H+](C)C[C@H]2CO)[nH+]c1C ZINC000639334697 355765006 /nfs/dbraw/zinc/76/50/06/355765006.db2.gz URRDOZPQMMIECE-NSHDSACASA-N 2 2 238.335 0.135 20 0 BCADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)[C@H]1CC1(F)F ZINC000639354143 355804167 /nfs/dbraw/zinc/80/41/67/355804167.db2.gz DUBUUOBSJKBAOU-IVZWLZJFSA-N 2 2 234.290 0.686 20 0 BCADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)[C@H]1CC1(F)F ZINC000639354143 355804171 /nfs/dbraw/zinc/80/41/71/355804171.db2.gz DUBUUOBSJKBAOU-IVZWLZJFSA-N 2 2 234.290 0.686 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000389189026 355805306 /nfs/dbraw/zinc/80/53/06/355805306.db2.gz UEUXOIJBIITXLZ-CYBMUJFWSA-N 2 2 247.342 0.969 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000389189026 355805310 /nfs/dbraw/zinc/80/53/10/355805310.db2.gz UEUXOIJBIITXLZ-CYBMUJFWSA-N 2 2 247.342 0.969 20 0 BCADLP Cc1ccc(CCC[NH2+][C@@H]2COC[C@@H]2O)c[nH+]1 ZINC000639362261 355817222 /nfs/dbraw/zinc/81/72/22/355817222.db2.gz AFGKKHWPDCNHPN-OLZOCXBDSA-N 2 2 236.315 0.672 20 0 BCADLP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000336031452 134058113 /nfs/dbraw/zinc/05/81/13/134058113.db2.gz JCALNLZFCOZWPC-IUCAKERBSA-N 2 2 247.289 0.181 20 0 BCADLP Cc1[nH+]cc(C[N@H+](C)[C@]2(CO)CCOC2)n1C ZINC000628368044 355862374 /nfs/dbraw/zinc/86/23/74/355862374.db2.gz JEHBREINUIGEAW-LBPRGKRZSA-N 2 2 239.319 0.312 20 0 BCADLP Cc1[nH+]cc(C[N@@H+](C)[C@]2(CO)CCOC2)n1C ZINC000628368044 355862378 /nfs/dbraw/zinc/86/23/78/355862378.db2.gz JEHBREINUIGEAW-LBPRGKRZSA-N 2 2 239.319 0.312 20 0 BCADLP CC1([NH2+]Cc2c[nH+]c3n2CCC3)COC1 ZINC000639380691 355919123 /nfs/dbraw/zinc/91/91/23/355919123.db2.gz JITXZJQUEFCFPT-UHFFFAOYSA-N 2 2 207.277 0.708 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CCc1[nH]cc[nH+]1 ZINC000351484959 355998101 /nfs/dbraw/zinc/99/81/01/355998101.db2.gz HDQXWSKATJVJJA-JTQLQIEISA-N 2 2 247.302 0.744 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CCc1[nH]cc[nH+]1 ZINC000351484960 355998612 /nfs/dbraw/zinc/99/86/12/355998612.db2.gz HDQXWSKATJVJJA-SNVBAGLBSA-N 2 2 247.302 0.744 20 0 BCADLP CCn1nncc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000417852016 191936009 /nfs/dbraw/zinc/93/60/09/191936009.db2.gz ZDBCLXSMDAPSLY-UHFFFAOYSA-N 2 2 239.367 0.975 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000351497713 356004075 /nfs/dbraw/zinc/00/40/75/356004075.db2.gz GTPNKWCWWSQSEL-LBPRGKRZSA-N 2 2 241.379 0.737 20 0 BCADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC000351520929 356007814 /nfs/dbraw/zinc/00/78/14/356007814.db2.gz IKDWZYIYWPZSJK-GFCCVEGCSA-N 2 2 241.379 0.738 20 0 BCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC000351520929 356007815 /nfs/dbraw/zinc/00/78/15/356007815.db2.gz IKDWZYIYWPZSJK-GFCCVEGCSA-N 2 2 241.379 0.738 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCCOCC1 ZINC000639465457 356251893 /nfs/dbraw/zinc/25/18/93/356251893.db2.gz KSTOHXGJBSRENM-UHFFFAOYSA-N 2 2 209.293 0.685 20 0 BCADLP Nc1[nH+]cnc(N[C@H]2CCC[NH2+]C2)c1Cl ZINC000420220554 192194438 /nfs/dbraw/zinc/19/44/38/192194438.db2.gz WDGKHDDRJWOJQY-LURJTMIESA-N 2 2 227.699 0.876 20 0 BCADLP C[C@@H](C[NH3+])Nc1nc[nH+]c(N)c1Cl ZINC000420244735 192186143 /nfs/dbraw/zinc/18/61/43/192186143.db2.gz LBCXYVMPPVXYNI-BYPYZUCNSA-N 2 2 201.661 0.471 20 0 BCADLP Cc1cc(N2CC[NH2+]C[C@](C)(F)C2)nc[nH+]1 ZINC000420255437 192187884 /nfs/dbraw/zinc/18/78/84/192187884.db2.gz BGAQYMIQEJZYAW-NSHDSACASA-N 2 2 224.283 0.923 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000336119385 134089414 /nfs/dbraw/zinc/08/94/14/134089414.db2.gz JXZMLHWECQRCKF-NWDGAFQWSA-N 2 2 241.379 0.879 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000336119385 134089415 /nfs/dbraw/zinc/08/94/15/134089415.db2.gz JXZMLHWECQRCKF-NWDGAFQWSA-N 2 2 241.379 0.879 20 0 BCADLP COC(=O)CC1(C[N@@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC000420265045 192191236 /nfs/dbraw/zinc/19/12/36/192191236.db2.gz AZLQXNTURVJMAQ-SNVBAGLBSA-N 2 2 226.320 0.753 20 0 BCADLP COC(=O)CC1(C[N@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC000420265045 192191239 /nfs/dbraw/zinc/19/12/39/192191239.db2.gz AZLQXNTURVJMAQ-SNVBAGLBSA-N 2 2 226.320 0.753 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336124885 134092499 /nfs/dbraw/zinc/09/24/99/134092499.db2.gz FRMDGNGVLLAFLO-LBPRGKRZSA-N 2 2 225.336 0.150 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336124885 134092500 /nfs/dbraw/zinc/09/25/00/134092500.db2.gz FRMDGNGVLLAFLO-LBPRGKRZSA-N 2 2 225.336 0.150 20 0 BCADLP CCNC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336124885 134092501 /nfs/dbraw/zinc/09/25/01/134092501.db2.gz FRMDGNGVLLAFLO-LBPRGKRZSA-N 2 2 225.336 0.150 20 0 BCADLP CCNC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336124885 134092502 /nfs/dbraw/zinc/09/25/02/134092502.db2.gz FRMDGNGVLLAFLO-LBPRGKRZSA-N 2 2 225.336 0.150 20 0 BCADLP CC(C)OC(=O)CC[N@@H+]1CCC[NH2+]CC1 ZINC000420272293 192197717 /nfs/dbraw/zinc/19/77/17/192197717.db2.gz LRFMJQJVYFQKPW-UHFFFAOYSA-N 2 2 214.309 0.623 20 0 BCADLP CC(C)OC(=O)CC[N@H+]1CCC[NH2+]CC1 ZINC000420272293 192197719 /nfs/dbraw/zinc/19/77/19/192197719.db2.gz LRFMJQJVYFQKPW-UHFFFAOYSA-N 2 2 214.309 0.623 20 0 BCADLP Cc1[nH]c(C(=O)NCC[C@H](C)[NH+](C)C)c[nH+]1 ZINC000617752944 356312183 /nfs/dbraw/zinc/31/21/83/356312183.db2.gz XUUHIPOTJNYHCV-QMMMGPOBSA-N 2 2 224.308 0.788 20 0 BCADLP CCOC(=O)CCCC[N@@H+]1CC[C@H]([NH3+])C1 ZINC000420294288 192202679 /nfs/dbraw/zinc/20/26/79/192202679.db2.gz OJBCGXXVSORNGI-JTQLQIEISA-N 2 2 214.309 0.753 20 0 BCADLP CCOC(=O)CCCC[N@H+]1CC[C@H]([NH3+])C1 ZINC000420294288 192202681 /nfs/dbraw/zinc/20/26/81/192202681.db2.gz OJBCGXXVSORNGI-JTQLQIEISA-N 2 2 214.309 0.753 20 0 BCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623267188 356319122 /nfs/dbraw/zinc/31/91/22/356319122.db2.gz MGYHEHPIACZARN-SNVBAGLBSA-N 2 2 245.286 0.211 20 0 BCADLP CCCCCNC(=O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000420293001 192203495 /nfs/dbraw/zinc/20/34/95/192203495.db2.gz MIBBFDLBDNCSII-LBPRGKRZSA-N 2 2 241.379 0.834 20 0 BCADLP CCCCCNC(=O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000420293001 192203497 /nfs/dbraw/zinc/20/34/97/192203497.db2.gz MIBBFDLBDNCSII-LBPRGKRZSA-N 2 2 241.379 0.834 20 0 BCADLP CC[N@H+](CC(=O)OC)[C@H]1CCC[NH2+]CC1 ZINC000420315905 192213181 /nfs/dbraw/zinc/21/31/81/192213181.db2.gz SEYHLKSCYALSNS-JTQLQIEISA-N 2 2 214.309 0.623 20 0 BCADLP CC[N@@H+](CC(=O)OC)[C@H]1CCC[NH2+]CC1 ZINC000420315905 192213183 /nfs/dbraw/zinc/21/31/83/192213183.db2.gz SEYHLKSCYALSNS-JTQLQIEISA-N 2 2 214.309 0.623 20 0 BCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1CCC1 ZINC000617768916 356331157 /nfs/dbraw/zinc/33/11/57/356331157.db2.gz YSWYLMVVKSRPNE-UHFFFAOYSA-N 2 2 241.379 0.786 20 0 BCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1CCC1 ZINC000617768916 356331159 /nfs/dbraw/zinc/33/11/59/356331159.db2.gz YSWYLMVVKSRPNE-UHFFFAOYSA-N 2 2 241.379 0.786 20 0 BCADLP C[N@H+](CC(=O)NCC1CCC1)C1CC([NH3+])C1 ZINC000420337502 192214186 /nfs/dbraw/zinc/21/41/86/192214186.db2.gz QXHYRTOUGKDTEZ-UHFFFAOYSA-N 2 2 225.336 0.324 20 0 BCADLP C[N@@H+](CC(=O)NCC1CCC1)C1CC([NH3+])C1 ZINC000420337502 192214188 /nfs/dbraw/zinc/21/41/88/192214188.db2.gz QXHYRTOUGKDTEZ-UHFFFAOYSA-N 2 2 225.336 0.324 20 0 BCADLP CNC(=O)[C@H](C)C[N@H+](C)CCc1c[nH+]cn1C ZINC000639509613 356338965 /nfs/dbraw/zinc/33/89/65/356338965.db2.gz HRUPQDFGAAMDNF-SNVBAGLBSA-N 2 2 238.335 0.277 20 0 BCADLP CNC(=O)[C@H](C)C[N@@H+](C)CCc1c[nH+]cn1C ZINC000639509613 356338968 /nfs/dbraw/zinc/33/89/68/356338968.db2.gz HRUPQDFGAAMDNF-SNVBAGLBSA-N 2 2 238.335 0.277 20 0 BCADLP CNC(=O)[C@@H](C)C[N@H+](C)CCc1c[nH+]cn1C ZINC000639509612 356339361 /nfs/dbraw/zinc/33/93/61/356339361.db2.gz HRUPQDFGAAMDNF-JTQLQIEISA-N 2 2 238.335 0.277 20 0 BCADLP CNC(=O)[C@@H](C)C[N@@H+](C)CCc1c[nH+]cn1C ZINC000639509612 356339363 /nfs/dbraw/zinc/33/93/63/356339363.db2.gz HRUPQDFGAAMDNF-JTQLQIEISA-N 2 2 238.335 0.277 20 0 BCADLP C[C@@H]([NH3+])CN1CC[NH+](Cc2cccnc2)CC1 ZINC000420353072 192217461 /nfs/dbraw/zinc/21/74/61/192217461.db2.gz BHFKYPPWZDMYBM-GFCCVEGCSA-N 2 2 234.347 0.546 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)C[C@H](O)C1CC1 ZINC000639514251 356347807 /nfs/dbraw/zinc/34/78/07/356347807.db2.gz KEEAWEKXDOLTLZ-LBPRGKRZSA-N 2 2 223.320 0.665 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)C[C@H](O)C1CC1 ZINC000639514251 356347812 /nfs/dbraw/zinc/34/78/12/356347812.db2.gz KEEAWEKXDOLTLZ-LBPRGKRZSA-N 2 2 223.320 0.665 20 0 BCADLP CCOC(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420351960 192218246 /nfs/dbraw/zinc/21/82/46/192218246.db2.gz LHPGJOCGJIYRAE-IUCAKERBSA-N 2 2 200.282 0.361 20 0 BCADLP CCOC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420351960 192218248 /nfs/dbraw/zinc/21/82/48/192218248.db2.gz LHPGJOCGJIYRAE-IUCAKERBSA-N 2 2 200.282 0.361 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)CCO1 ZINC000420304794 192208334 /nfs/dbraw/zinc/20/83/34/192208334.db2.gz JCUXAMGSJXYBOX-NWDGAFQWSA-N 2 2 228.336 0.605 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)CCO1 ZINC000420304794 192208336 /nfs/dbraw/zinc/20/83/36/192208336.db2.gz JCUXAMGSJXYBOX-NWDGAFQWSA-N 2 2 228.336 0.605 20 0 BCADLP C[C@H]1CO[C@H](CO)C[N@@H+]1CCc1c[nH+]cn1C ZINC000639519167 356363886 /nfs/dbraw/zinc/36/38/86/356363886.db2.gz OOMJGADTZCWRIZ-JQWIXIFHSA-N 2 2 239.319 0.044 20 0 BCADLP C[C@H]1CO[C@H](CO)C[N@H+]1CCc1c[nH+]cn1C ZINC000639519167 356363889 /nfs/dbraw/zinc/36/38/89/356363889.db2.gz OOMJGADTZCWRIZ-JQWIXIFHSA-N 2 2 239.319 0.044 20 0 BCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC1CC1 ZINC000617768329 356330284 /nfs/dbraw/zinc/33/02/84/356330284.db2.gz ZFXSHVIFASTBHF-UHFFFAOYSA-N 2 2 241.379 0.786 20 0 BCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC1CC1 ZINC000617768329 356330287 /nfs/dbraw/zinc/33/02/87/356330287.db2.gz ZFXSHVIFASTBHF-UHFFFAOYSA-N 2 2 241.379 0.786 20 0 BCADLP CC(=O)N(C[C@H]1CCC[N@H+]1C[C@H](C)[NH3+])C1CC1 ZINC000420366578 192226396 /nfs/dbraw/zinc/22/63/96/192226396.db2.gz GFACSBVQGAWRKC-GXFFZTMASA-N 2 2 239.363 0.809 20 0 BCADLP CC(=O)N(C[C@H]1CCC[N@@H+]1C[C@H](C)[NH3+])C1CC1 ZINC000420366578 192226398 /nfs/dbraw/zinc/22/63/98/192226398.db2.gz GFACSBVQGAWRKC-GXFFZTMASA-N 2 2 239.363 0.809 20 0 BCADLP C[NH2+]CCC[N@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000420369379 192226460 /nfs/dbraw/zinc/22/64/60/192226460.db2.gz ITDAKZRLBGEOGP-WDEREUQCSA-N 2 2 216.325 0.332 20 0 BCADLP C[NH2+]CCC[N@@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000420369379 192226461 /nfs/dbraw/zinc/22/64/61/192226461.db2.gz ITDAKZRLBGEOGP-WDEREUQCSA-N 2 2 216.325 0.332 20 0 BCADLP C[C@H]1C[N@H+](CCN(C)[C@@H](C[NH3+])C2CC2)CCO1 ZINC000420323014 192227006 /nfs/dbraw/zinc/22/70/06/192227006.db2.gz XNNDPLUCLDFREE-AAEUAGOBSA-N 2 2 241.379 0.376 20 0 BCADLP C[C@H]1C[N@@H+](CCN(C)[C@@H](C[NH3+])C2CC2)CCO1 ZINC000420323014 192227009 /nfs/dbraw/zinc/22/70/09/192227009.db2.gz XNNDPLUCLDFREE-AAEUAGOBSA-N 2 2 241.379 0.376 20 0 BCADLP C[C@H]1CN(CC[N@H+](C)[C@@H](C[NH3+])C2CC2)CCO1 ZINC000420323014 192227012 /nfs/dbraw/zinc/22/70/12/192227012.db2.gz XNNDPLUCLDFREE-AAEUAGOBSA-N 2 2 241.379 0.376 20 0 BCADLP C[C@H]1CN(CC[N@@H+](C)[C@@H](C[NH3+])C2CC2)CCO1 ZINC000420323014 192227014 /nfs/dbraw/zinc/22/70/14/192227014.db2.gz XNNDPLUCLDFREE-AAEUAGOBSA-N 2 2 241.379 0.376 20 0 BCADLP COC(=O)CC[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000420322650 192227372 /nfs/dbraw/zinc/22/73/72/192227372.db2.gz STMOXARJWHCZMP-JTQLQIEISA-N 2 2 212.293 0.376 20 0 BCADLP COC(=O)CC[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000420322650 192227374 /nfs/dbraw/zinc/22/73/74/192227374.db2.gz STMOXARJWHCZMP-JTQLQIEISA-N 2 2 212.293 0.376 20 0 BCADLP CC(C)S(=O)(=O)CCC[N@H+](C)C1CC([NH3+])C1 ZINC000420328623 192229407 /nfs/dbraw/zinc/22/94/07/192229407.db2.gz HVPPTLHWPCKEKB-UHFFFAOYSA-N 2 2 248.392 0.621 20 0 BCADLP CC(C)S(=O)(=O)CCC[N@@H+](C)C1CC([NH3+])C1 ZINC000420328623 192229410 /nfs/dbraw/zinc/22/94/10/192229410.db2.gz HVPPTLHWPCKEKB-UHFFFAOYSA-N 2 2 248.392 0.621 20 0 BCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623271191 356385808 /nfs/dbraw/zinc/38/58/08/356385808.db2.gz VGGFSGZICQZZHT-JTQLQIEISA-N 2 2 236.319 0.264 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623271191 356385812 /nfs/dbraw/zinc/38/58/12/356385812.db2.gz VGGFSGZICQZZHT-JTQLQIEISA-N 2 2 236.319 0.264 20 0 BCADLP Cc1nc(N2CCN(C[C@H](C)[NH3+])CC2)cc[nH+]1 ZINC000420354863 192220044 /nfs/dbraw/zinc/22/00/44/192220044.db2.gz DSEQQAHDNHQFFV-JTQLQIEISA-N 2 2 235.335 0.254 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)N(C)C ZINC000420360690 192221605 /nfs/dbraw/zinc/22/16/05/192221605.db2.gz HIJFKLNPDXYMJH-FXPVBKGRSA-N 2 2 213.325 0.051 20 0 BCADLP C[N@H+](CCC[NH+]1CCCCC1)C[C@H](O)C[NH3+] ZINC000420361544 192222624 /nfs/dbraw/zinc/22/26/24/192222624.db2.gz YIJVRNQBHHSROJ-GFCCVEGCSA-N 3 2 229.368 0.114 20 0 BCADLP C[N@@H+](CCC[NH+]1CCCCC1)C[C@H](O)C[NH3+] ZINC000420361544 192222626 /nfs/dbraw/zinc/22/26/26/192222626.db2.gz YIJVRNQBHHSROJ-GFCCVEGCSA-N 3 2 229.368 0.114 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)OC ZINC000420361623 192222733 /nfs/dbraw/zinc/22/27/33/192222733.db2.gz NJOCBAPULFRBBY-SECBINFHSA-N 2 2 200.282 0.233 20 0 BCADLP C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)OC ZINC000420361623 192222734 /nfs/dbraw/zinc/22/27/34/192222734.db2.gz NJOCBAPULFRBBY-SECBINFHSA-N 2 2 200.282 0.233 20 0 BCADLP CC(C)OC(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420360977 192222743 /nfs/dbraw/zinc/22/27/43/192222743.db2.gz XESKZARQDWNUQG-UWVGGRQHSA-N 2 2 214.309 0.750 20 0 BCADLP CC(C)OC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420360977 192222745 /nfs/dbraw/zinc/22/27/45/192222745.db2.gz XESKZARQDWNUQG-UWVGGRQHSA-N 2 2 214.309 0.750 20 0 BCADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(=O)N(C)C ZINC000420361147 192222983 /nfs/dbraw/zinc/22/29/83/192222983.db2.gz HVHLWUIKMULSSF-XWLWVQCSSA-N 2 2 227.352 0.439 20 0 BCADLP CCCNC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420364358 192223486 /nfs/dbraw/zinc/22/34/86/192223486.db2.gz OTVHDIUAPOKSOO-VIFPVBQESA-N 2 2 215.341 0.476 20 0 BCADLP CC[N@@H+]1CCN(CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000352658563 356397595 /nfs/dbraw/zinc/39/75/95/356397595.db2.gz JLYNEVKDYIADDW-ZDUSSCGKSA-N 2 2 241.379 0.345 20 0 BCADLP CC[N@H+]1CCN(CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000352658563 356397601 /nfs/dbraw/zinc/39/76/01/356397601.db2.gz JLYNEVKDYIADDW-ZDUSSCGKSA-N 2 2 241.379 0.345 20 0 BCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCc1c[nH+]cn1C ZINC000420365740 192224109 /nfs/dbraw/zinc/22/41/09/192224109.db2.gz LKVGVMKXOHKIRU-SCVCMEIPSA-N 2 2 222.336 0.896 20 0 BCADLP CC(=O)N(C[C@@H]1CCC[N@H+]1C[C@@H](C)[NH3+])C1CC1 ZINC000420366580 192225568 /nfs/dbraw/zinc/22/55/68/192225568.db2.gz GFACSBVQGAWRKC-MFKMUULPSA-N 2 2 239.363 0.809 20 0 BCADLP CC(=O)N(C[C@@H]1CCC[N@@H+]1C[C@@H](C)[NH3+])C1CC1 ZINC000420366580 192225570 /nfs/dbraw/zinc/22/55/70/192225570.db2.gz GFACSBVQGAWRKC-MFKMUULPSA-N 2 2 239.363 0.809 20 0 BCADLP CCCCCNC(=O)C[N@H+](C)CCC[NH2+]C ZINC000420385969 192234766 /nfs/dbraw/zinc/23/47/66/192234766.db2.gz HUXXXILIPBWVEQ-UHFFFAOYSA-N 2 2 229.368 0.834 20 0 BCADLP CCCCCNC(=O)C[N@@H+](C)CCC[NH2+]C ZINC000420385969 192234769 /nfs/dbraw/zinc/23/47/69/192234769.db2.gz HUXXXILIPBWVEQ-UHFFFAOYSA-N 2 2 229.368 0.834 20 0 BCADLP CCCNC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420373973 192231083 /nfs/dbraw/zinc/23/10/83/192231083.db2.gz RPNPQGFWIYRNAZ-JFGNBEQYSA-N 2 2 227.352 0.489 20 0 BCADLP CN(C)C(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420380093 192233663 /nfs/dbraw/zinc/23/36/63/192233663.db2.gz YCBPQNHUQFEPQB-NSHDSACASA-N 2 2 227.352 0.572 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@](C)(O)C1 ZINC000639553696 356455023 /nfs/dbraw/zinc/45/50/23/356455023.db2.gz HVXZMXDDFILBMR-GFCCVEGCSA-N 2 2 223.320 0.809 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@](C)(O)C1 ZINC000639553696 356455026 /nfs/dbraw/zinc/45/50/26/356455026.db2.gz HVXZMXDDFILBMR-GFCCVEGCSA-N 2 2 223.320 0.809 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1CCc1c[nH+]cn1C ZINC000639557561 356462365 /nfs/dbraw/zinc/46/23/65/356462365.db2.gz JPFGUINCUYQLDM-NWDGAFQWSA-N 2 2 236.363 0.987 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CCc1c[nH+]cn1C ZINC000639557561 356462367 /nfs/dbraw/zinc/46/23/67/356462367.db2.gz JPFGUINCUYQLDM-NWDGAFQWSA-N 2 2 236.363 0.987 20 0 BCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1CCc1c[nH+]cn1C ZINC000639559023 356464872 /nfs/dbraw/zinc/46/48/72/356464872.db2.gz NMGDEYGZRHNTSX-VXGBXAGGSA-N 2 2 236.363 0.987 20 0 BCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CCc1c[nH+]cn1C ZINC000639559023 356464877 /nfs/dbraw/zinc/46/48/77/356464877.db2.gz NMGDEYGZRHNTSX-VXGBXAGGSA-N 2 2 236.363 0.987 20 0 BCADLP NC(=O)[C@H](c1ccccc1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359295779 181279889 /nfs/dbraw/zinc/27/98/89/181279889.db2.gz XPGBVHWKUYJIRE-UPJWGTAASA-N 2 2 245.326 0.364 20 0 BCADLP COCCC[N@H+](CCO)CCc1c[nH+]cn1C ZINC000639602991 356524001 /nfs/dbraw/zinc/52/40/01/356524001.db2.gz DGUWOZCCNMDZMJ-UHFFFAOYSA-N 2 2 241.335 0.293 20 0 BCADLP COCCC[N@@H+](CCO)CCc1c[nH+]cn1C ZINC000639602991 356524006 /nfs/dbraw/zinc/52/40/06/356524006.db2.gz DGUWOZCCNMDZMJ-UHFFFAOYSA-N 2 2 241.335 0.293 20 0 BCADLP C[C@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@@H]1CO ZINC000639604083 356525141 /nfs/dbraw/zinc/52/51/41/356525141.db2.gz JTFQQUDZMOTMPP-CMPLNLGQSA-N 2 2 223.320 0.665 20 0 BCADLP C[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@@H]1CO ZINC000639604083 356525143 /nfs/dbraw/zinc/52/51/43/356525143.db2.gz JTFQQUDZMOTMPP-CMPLNLGQSA-N 2 2 223.320 0.665 20 0 BCADLP CC[C@@]1(O)CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639597164 356515429 /nfs/dbraw/zinc/51/54/29/356515429.db2.gz BDURQHQZVFUFSP-GFCCVEGCSA-N 2 2 223.320 0.809 20 0 BCADLP CC[C@@]1(O)CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639597164 356515432 /nfs/dbraw/zinc/51/54/32/356515432.db2.gz BDURQHQZVFUFSP-GFCCVEGCSA-N 2 2 223.320 0.809 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000639630102 356545640 /nfs/dbraw/zinc/54/56/40/356545640.db2.gz UVAKOMZHBIDWBA-TXEJJXNPSA-N 2 2 237.303 0.062 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000639630102 356545645 /nfs/dbraw/zinc/54/56/45/356545645.db2.gz UVAKOMZHBIDWBA-TXEJJXNPSA-N 2 2 237.303 0.062 20 0 BCADLP CC[N@H+](CCc1c[nH+]cn1C)[C@H]1CCNC1=O ZINC000639624890 356538679 /nfs/dbraw/zinc/53/86/79/356538679.db2.gz LCZRDIMKMVDHEG-NSHDSACASA-N 2 2 236.319 0.173 20 0 BCADLP CC[N@@H+](CCc1c[nH+]cn1C)[C@H]1CCNC1=O ZINC000639624890 356538684 /nfs/dbraw/zinc/53/86/84/356538684.db2.gz LCZRDIMKMVDHEG-NSHDSACASA-N 2 2 236.319 0.173 20 0 BCADLP C[C@@H]1CN(CCc2c[nH+]cn2C)C[C@H](C)[N@H+]1C ZINC000639658142 356573266 /nfs/dbraw/zinc/57/32/66/356573266.db2.gz WRSDEELEQVEGSG-TXEJJXNPSA-N 2 2 236.363 0.987 20 0 BCADLP C[C@@H]1CN(CCc2c[nH+]cn2C)C[C@H](C)[N@@H+]1C ZINC000639658142 356573269 /nfs/dbraw/zinc/57/32/69/356573269.db2.gz WRSDEELEQVEGSG-TXEJJXNPSA-N 2 2 236.363 0.987 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000639653474 356564437 /nfs/dbraw/zinc/56/44/37/356564437.db2.gz BOPIFYWUWCUJKK-AWEZNQCLSA-N 3 2 248.374 0.990 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000639653474 356564439 /nfs/dbraw/zinc/56/44/39/356564439.db2.gz BOPIFYWUWCUJKK-AWEZNQCLSA-N 3 2 248.374 0.990 20 0 BCADLP Cn1c[nH+]cc1CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000639653474 356564443 /nfs/dbraw/zinc/56/44/43/356564443.db2.gz BOPIFYWUWCUJKK-AWEZNQCLSA-N 3 2 248.374 0.990 20 0 BCADLP Cn1c[nH+]cc1CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000639653474 356564446 /nfs/dbraw/zinc/56/44/46/356564446.db2.gz BOPIFYWUWCUJKK-AWEZNQCLSA-N 3 2 248.374 0.990 20 0 BCADLP CC(=O)N[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639673569 356590420 /nfs/dbraw/zinc/59/04/20/356590420.db2.gz FUMWOKOYKOTHNM-NSHDSACASA-N 2 2 236.319 0.173 20 0 BCADLP CC(=O)N[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639673569 356590422 /nfs/dbraw/zinc/59/04/22/356590422.db2.gz FUMWOKOYKOTHNM-NSHDSACASA-N 2 2 236.319 0.173 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623303897 356594221 /nfs/dbraw/zinc/59/42/21/356594221.db2.gz NCYDGPLUFVVQQV-CMPLNLGQSA-N 2 2 248.330 0.408 20 0 BCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623303897 356594223 /nfs/dbraw/zinc/59/42/23/356594223.db2.gz NCYDGPLUFVVQQV-CMPLNLGQSA-N 2 2 248.330 0.408 20 0 BCADLP CCCNC(=O)[C@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088287935 356655713 /nfs/dbraw/zinc/65/57/13/356655713.db2.gz LDMFSEVJHXRHBR-HBNTYKKESA-N 2 2 225.336 0.052 20 0 BCADLP C[NH2+]CCCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000582239785 356670199 /nfs/dbraw/zinc/67/01/99/356670199.db2.gz ZBCLRXMQOFNRCX-UHFFFAOYSA-N 2 2 238.335 0.731 20 0 BCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2ccncc2)C1 ZINC000639763414 356688693 /nfs/dbraw/zinc/68/86/93/356688693.db2.gz ROFJGJOCKZBIQP-AWEZNQCLSA-N 2 2 249.358 0.970 20 0 BCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2ccncc2)C1 ZINC000639763414 356688695 /nfs/dbraw/zinc/68/86/95/356688695.db2.gz ROFJGJOCKZBIQP-AWEZNQCLSA-N 2 2 249.358 0.970 20 0 BCADLP CC(=O)[C@@](C)(O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000450430429 202162995 /nfs/dbraw/zinc/16/29/95/202162995.db2.gz RSQYUOGLSCAAJQ-OLZOCXBDSA-N 2 2 242.363 0.600 20 0 BCADLP CC(=O)[C@@](C)(O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000450430429 202162998 /nfs/dbraw/zinc/16/29/98/202162998.db2.gz RSQYUOGLSCAAJQ-OLZOCXBDSA-N 2 2 242.363 0.600 20 0 BCADLP CC(=O)[C@@](C)(O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000450430429 202163000 /nfs/dbraw/zinc/16/30/00/202163000.db2.gz RSQYUOGLSCAAJQ-OLZOCXBDSA-N 2 2 242.363 0.600 20 0 BCADLP CC(=O)[C@@](C)(O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000450430429 202163003 /nfs/dbraw/zinc/16/30/03/202163003.db2.gz RSQYUOGLSCAAJQ-OLZOCXBDSA-N 2 2 242.363 0.600 20 0 BCADLP CC(=O)[C@](C)(O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000450430428 202165875 /nfs/dbraw/zinc/16/58/75/202165875.db2.gz RSQYUOGLSCAAJQ-CHWSQXEVSA-N 2 2 242.363 0.600 20 0 BCADLP CC(=O)[C@](C)(O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000450430428 202165877 /nfs/dbraw/zinc/16/58/77/202165877.db2.gz RSQYUOGLSCAAJQ-CHWSQXEVSA-N 2 2 242.363 0.600 20 0 BCADLP CC(=O)[C@](C)(O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000450430428 202165881 /nfs/dbraw/zinc/16/58/81/202165881.db2.gz RSQYUOGLSCAAJQ-CHWSQXEVSA-N 2 2 242.363 0.600 20 0 BCADLP CC(=O)[C@](C)(O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000450430428 202165885 /nfs/dbraw/zinc/16/58/85/202165885.db2.gz RSQYUOGLSCAAJQ-CHWSQXEVSA-N 2 2 242.363 0.600 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+]Cc2cc[nH]c2)C1 ZINC000623758710 356815538 /nfs/dbraw/zinc/81/55/38/356815538.db2.gz LPACRALUEFAKEV-LLVKDONJSA-N 2 2 209.293 0.171 20 0 BCADLP O[C@@H]1CC[N@@H+](CC[NH2+]Cc2cc[nH]c2)C1 ZINC000623758710 356815541 /nfs/dbraw/zinc/81/55/41/356815541.db2.gz LPACRALUEFAKEV-LLVKDONJSA-N 2 2 209.293 0.171 20 0 BCADLP C[C@H]1CC[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000623759008 356821133 /nfs/dbraw/zinc/82/11/33/356821133.db2.gz WLHFDNKVLFMRQZ-QJPTWQEYSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@H]1CC[C@@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000623759008 356821137 /nfs/dbraw/zinc/82/11/37/356821137.db2.gz WLHFDNKVLFMRQZ-QJPTWQEYSA-N 2 2 212.337 0.831 20 0 BCADLP Cc1[nH+]ccn1CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000352789778 538727112 /nfs/dbraw/zinc/72/71/12/538727112.db2.gz PLDLWGYTRPOLMC-UHFFFAOYSA-N 2 2 247.302 0.664 20 0 BCADLP Cc1[nH+]ccn1CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000352789778 538727118 /nfs/dbraw/zinc/72/71/18/538727118.db2.gz PLDLWGYTRPOLMC-UHFFFAOYSA-N 2 2 247.302 0.664 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000389945576 357073253 /nfs/dbraw/zinc/07/32/53/357073253.db2.gz QMTNWGNVYQRVOM-VHSXEESVSA-N 2 2 213.325 0.182 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000389945576 357073254 /nfs/dbraw/zinc/07/32/54/357073254.db2.gz QMTNWGNVYQRVOM-VHSXEESVSA-N 2 2 213.325 0.182 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC2(CO)CC2)C[N@@H+]1C1CC1 ZINC000157106968 538808844 /nfs/dbraw/zinc/80/88/44/538808844.db2.gz RPQMAUPILSZKKM-MNOVXSKESA-N 2 2 224.348 0.974 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC2(CO)CC2)C[N@H+]1C1CC1 ZINC000157106968 538808851 /nfs/dbraw/zinc/80/88/51/538808851.db2.gz RPQMAUPILSZKKM-MNOVXSKESA-N 2 2 224.348 0.974 20 0 BCADLP Cc1cc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)ccn1 ZINC000391160639 357124501 /nfs/dbraw/zinc/12/45/01/357124501.db2.gz CHPYOXREUBODHE-AWEZNQCLSA-N 2 2 249.358 0.935 20 0 BCADLP Cc1cc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)ccn1 ZINC000391160639 357124506 /nfs/dbraw/zinc/12/45/06/357124506.db2.gz CHPYOXREUBODHE-AWEZNQCLSA-N 2 2 249.358 0.935 20 0 BCADLP C[C@H]1C[C@@H]1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000628421811 357242825 /nfs/dbraw/zinc/24/28/25/357242825.db2.gz YHTNYWIQKPEDEQ-TUAOUCFPSA-N 2 2 239.363 0.572 20 0 BCADLP C[C@H]1C[C@@H]1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000628421811 357242831 /nfs/dbraw/zinc/24/28/31/357242831.db2.gz YHTNYWIQKPEDEQ-TUAOUCFPSA-N 2 2 239.363 0.572 20 0 BCADLP CCn1cc[nH+]c1CN1CC[NH2+]C[C@H]1C(F)F ZINC000582487176 357318757 /nfs/dbraw/zinc/31/87/57/357318757.db2.gz YIAARMCVEKODHT-VIFPVBQESA-N 2 2 244.289 0.942 20 0 BCADLP COCC1(C)C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000582677603 357366899 /nfs/dbraw/zinc/36/68/99/357366899.db2.gz QXAWBSRQOZONCQ-LBPRGKRZSA-N 2 2 244.379 0.656 20 0 BCADLP COCC1(C)C[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000582677603 357366905 /nfs/dbraw/zinc/36/69/05/357366905.db2.gz QXAWBSRQOZONCQ-LBPRGKRZSA-N 2 2 244.379 0.656 20 0 BCADLP C[C@H](O)[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000582960836 357439019 /nfs/dbraw/zinc/43/90/19/357439019.db2.gz VULRFJHBIKWUGL-LPEHRKFASA-N 2 2 209.293 0.557 20 0 BCADLP CC[C@@](C)(O)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000583154894 357497737 /nfs/dbraw/zinc/49/77/37/357497737.db2.gz JOMJYGMGXXNTJQ-LLVKDONJSA-N 2 2 211.309 0.979 20 0 BCADLP C[C@@H]1C[C@H](C)[N@H+](Cc2ncnn2C)C[C@@H]1C[NH3+] ZINC000397340889 357512284 /nfs/dbraw/zinc/51/22/84/357512284.db2.gz AVSIDOVHZJHBAN-VWYCJHECSA-N 2 2 237.351 0.620 20 0 BCADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2ncnn2C)C[C@@H]1C[NH3+] ZINC000397340889 357512286 /nfs/dbraw/zinc/51/22/86/357512286.db2.gz AVSIDOVHZJHBAN-VWYCJHECSA-N 2 2 237.351 0.620 20 0 BCADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2ncnn2C)C[C@@H]1C[NH3+] ZINC000397340873 357513003 /nfs/dbraw/zinc/51/30/03/357513003.db2.gz AVSIDOVHZJHBAN-MXWKQRLJSA-N 2 2 237.351 0.620 20 0 BCADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ncnn2C)C[C@@H]1C[NH3+] ZINC000397340873 357513006 /nfs/dbraw/zinc/51/30/06/357513006.db2.gz AVSIDOVHZJHBAN-MXWKQRLJSA-N 2 2 237.351 0.620 20 0 BCADLP CCOC[C@@H](O)C[NH2+]CCc1cc[nH+]cc1C ZINC000397521105 357536215 /nfs/dbraw/zinc/53/62/15/357536215.db2.gz IYOQTHNUBCBFKE-ZDUSSCGKSA-N 2 2 238.331 0.920 20 0 BCADLP C[C@@H](CC(=O)N(C)[C@H]1CC[NH2+]C1)n1cc[nH+]c1 ZINC000583211135 357542455 /nfs/dbraw/zinc/54/24/55/357542455.db2.gz ORYCQQFSAZICNS-QWRGUYRKSA-N 2 2 236.319 0.655 20 0 BCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC1(O)CCC1 ZINC000397628275 357616693 /nfs/dbraw/zinc/61/66/93/357616693.db2.gz LAEUNAHMKHZQQK-RYUDHWBXSA-N 2 2 242.363 0.648 20 0 BCADLP C[C@@H]1C[C@@H](C(=O)NCCn2cc[nH+]c2)CC[NH2+]1 ZINC000235381745 357858952 /nfs/dbraw/zinc/85/89/52/357858952.db2.gz USNBFHGGSIYBFG-MNOVXSKESA-N 2 2 236.319 0.387 20 0 BCADLP CCCN(Cc1c[nH+]cn1C)[C@@H]1CC[NH2+]C1 ZINC000085170819 134224783 /nfs/dbraw/zinc/22/47/83/134224783.db2.gz DBQAYISVCSDTRS-LLVKDONJSA-N 2 2 222.336 0.994 20 0 BCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH3+] ZINC000235328165 357865875 /nfs/dbraw/zinc/86/58/75/357865875.db2.gz VZUUIDZGCKWCSA-NXEZZACHSA-N 2 2 222.292 0.079 20 0 BCADLP CCCNC(=O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129728666 491116014 /nfs/dbraw/zinc/11/60/14/491116014.db2.gz BHVCQSJXUIUUJT-MNOVXSKESA-N 2 2 227.352 0.585 20 0 BCADLP CCCNC(=O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129728666 491116016 /nfs/dbraw/zinc/11/60/16/491116016.db2.gz BHVCQSJXUIUUJT-MNOVXSKESA-N 2 2 227.352 0.585 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C[C@H]1CO ZINC000639937714 357939237 /nfs/dbraw/zinc/93/92/37/357939237.db2.gz CURSPVFXFYGRBY-AGIUHOORSA-N 2 2 244.379 0.392 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C[C@H]1CO ZINC000639937714 357939239 /nfs/dbraw/zinc/93/92/39/357939239.db2.gz CURSPVFXFYGRBY-AGIUHOORSA-N 2 2 244.379 0.392 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1CO ZINC000639937714 357939243 /nfs/dbraw/zinc/93/92/43/357939243.db2.gz CURSPVFXFYGRBY-AGIUHOORSA-N 2 2 244.379 0.392 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1CO ZINC000639937714 357939244 /nfs/dbraw/zinc/93/92/44/357939244.db2.gz CURSPVFXFYGRBY-AGIUHOORSA-N 2 2 244.379 0.392 20 0 BCADLP CO[C@@H]1C[N@H+](CCn2cc[nH+]c2)[C@@](C)(CO)C1 ZINC000639997786 358035048 /nfs/dbraw/zinc/03/50/48/358035048.db2.gz BUUREVUSDVOJEF-NWDGAFQWSA-N 2 2 239.319 0.355 20 0 BCADLP CO[C@@H]1C[N@@H+](CCn2cc[nH+]c2)[C@@](C)(CO)C1 ZINC000639997786 358035054 /nfs/dbraw/zinc/03/50/54/358035054.db2.gz BUUREVUSDVOJEF-NWDGAFQWSA-N 2 2 239.319 0.355 20 0 BCADLP C[C@@H](O)CC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000133700351 325310678 /nfs/dbraw/zinc/31/06/78/325310678.db2.gz ZFKFLMFPSVKJIE-AXFHLTTASA-N 2 2 212.337 0.972 20 0 BCADLP C[C@@H](O)CC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000133700351 325310680 /nfs/dbraw/zinc/31/06/80/325310680.db2.gz ZFKFLMFPSVKJIE-AXFHLTTASA-N 2 2 212.337 0.972 20 0 BCADLP NC(=O)c1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000041029235 181294275 /nfs/dbraw/zinc/29/42/75/181294275.db2.gz NSNMCTKMRYJEGR-LBPRGKRZSA-N 2 2 233.315 0.709 20 0 BCADLP NC(=O)c1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000041029235 181294279 /nfs/dbraw/zinc/29/42/79/181294279.db2.gz NSNMCTKMRYJEGR-LBPRGKRZSA-N 2 2 233.315 0.709 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CSC[NH2+]1 ZINC000037822961 358095384 /nfs/dbraw/zinc/09/53/84/358095384.db2.gz LAFDKKCMMPHQEJ-QMMMGPOBSA-N 2 2 240.332 0.041 20 0 BCADLP C[NH2+]CCCC(=O)N(C)Cc1[nH+]ccn1C ZINC000037823022 358095437 /nfs/dbraw/zinc/09/54/37/358095437.db2.gz LPGVHANILJJNDM-UHFFFAOYSA-N 2 2 224.308 0.378 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000584598443 358112240 /nfs/dbraw/zinc/11/22/40/358112240.db2.gz ISBKWLXINAYNDT-QWHCGFSZSA-N 3 2 240.395 0.093 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000584598443 358112243 /nfs/dbraw/zinc/11/22/43/358112243.db2.gz ISBKWLXINAYNDT-QWHCGFSZSA-N 3 2 240.395 0.093 20 0 BCADLP C[C@@H]1CCN(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000584783014 358177268 /nfs/dbraw/zinc/17/72/68/358177268.db2.gz IOLPGLMWEAXVNW-GHMZBOCLSA-N 2 2 240.351 0.023 20 0 BCADLP COC(=O)CCC[N@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000226418753 358339412 /nfs/dbraw/zinc/33/94/12/358339412.db2.gz RAQXQWPEHQEUQN-GHMZBOCLSA-N 2 2 244.335 0.378 20 0 BCADLP COC(=O)CCC[N@@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000226418753 358339415 /nfs/dbraw/zinc/33/94/15/358339415.db2.gz RAQXQWPEHQEUQN-GHMZBOCLSA-N 2 2 244.335 0.378 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]CC1(O)CCCC1 ZINC000226912893 358346678 /nfs/dbraw/zinc/34/66/78/358346678.db2.gz WDQVUHQVDIBOTQ-LBPRGKRZSA-N 2 2 241.379 0.127 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]CC1(O)CCCC1 ZINC000226912893 358346679 /nfs/dbraw/zinc/34/66/79/358346679.db2.gz WDQVUHQVDIBOTQ-LBPRGKRZSA-N 2 2 241.379 0.127 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)C(=O)OC)C1 ZINC000043628661 358384744 /nfs/dbraw/zinc/38/47/44/358384744.db2.gz XZOCPNWHAOHLRU-NXEZZACHSA-N 2 2 214.309 0.479 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)C(=O)OC)C1 ZINC000043628661 358384746 /nfs/dbraw/zinc/38/47/46/358384746.db2.gz XZOCPNWHAOHLRU-NXEZZACHSA-N 2 2 214.309 0.479 20 0 BCADLP Cc1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000228859680 358386125 /nfs/dbraw/zinc/38/61/25/358386125.db2.gz UFBZEGCTNSXALI-ZDUSSCGKSA-N 2 2 234.347 0.465 20 0 BCADLP Cc1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000228859680 358386126 /nfs/dbraw/zinc/38/61/26/358386126.db2.gz UFBZEGCTNSXALI-ZDUSSCGKSA-N 2 2 234.347 0.465 20 0 BCADLP C[C@@H](C[NH3+])C(=O)NCCCCn1cc[nH+]c1 ZINC000045108004 358401427 /nfs/dbraw/zinc/40/14/27/358401427.db2.gz FPCRIPYLONBGSO-JTQLQIEISA-N 2 2 224.308 0.374 20 0 BCADLP C[C@@H]1[C@H](C)[NH2+]CCN1CC[NH+]1CCOCC1 ZINC000379501758 358514757 /nfs/dbraw/zinc/51/47/57/358514757.db2.gz WRMRVYRLCFRKGU-NWDGAFQWSA-N 2 2 227.352 0.001 20 0 BCADLP C[NH+]1CCC([NH2+][C@@H]2CCN(C3CC3)C2)CC1 ZINC000044683920 358551309 /nfs/dbraw/zinc/55/13/09/358551309.db2.gz UFTRTGALTASFIG-GFCCVEGCSA-N 2 2 223.364 0.907 20 0 BCADLP CC[NH+]1CCC([NH2+]Cc2cnnn2C)CC1 ZINC000129695099 358593521 /nfs/dbraw/zinc/59/35/21/358593521.db2.gz DQYQMJFBZVEQIS-UHFFFAOYSA-N 2 2 223.324 0.389 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnnn2C)CC[N@@H+]1C ZINC000129782947 358595863 /nfs/dbraw/zinc/59/58/63/358595863.db2.gz GPGTXWAAEWTDSB-ZJUUUORDSA-N 2 2 223.324 0.387 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnnn2C)CC[N@H+]1C ZINC000129782947 358595864 /nfs/dbraw/zinc/59/58/64/358595864.db2.gz GPGTXWAAEWTDSB-ZJUUUORDSA-N 2 2 223.324 0.387 20 0 BCADLP C[C@H]1C[C@H]([NH2+]Cc2cnnn2C)CC[N@@H+]1C ZINC000129782776 358595894 /nfs/dbraw/zinc/59/58/94/358595894.db2.gz GPGTXWAAEWTDSB-VHSXEESVSA-N 2 2 223.324 0.387 20 0 BCADLP C[C@H]1C[C@H]([NH2+]Cc2cnnn2C)CC[N@H+]1C ZINC000129782776 358595896 /nfs/dbraw/zinc/59/58/96/358595896.db2.gz GPGTXWAAEWTDSB-VHSXEESVSA-N 2 2 223.324 0.387 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)C)[C@H](C)C1 ZINC000175727046 134288703 /nfs/dbraw/zinc/28/87/03/134288703.db2.gz JDWDOKOJCVRBHU-VXGBXAGGSA-N 2 2 241.379 0.737 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)C)[C@H](C)C1 ZINC000175727046 134288704 /nfs/dbraw/zinc/28/87/04/134288704.db2.gz JDWDOKOJCVRBHU-VXGBXAGGSA-N 2 2 241.379 0.737 20 0 BCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)C)[C@H](C)C1 ZINC000175727046 134288705 /nfs/dbraw/zinc/28/87/05/134288705.db2.gz JDWDOKOJCVRBHU-VXGBXAGGSA-N 2 2 241.379 0.737 20 0 BCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)C)[C@H](C)C1 ZINC000175727046 134288706 /nfs/dbraw/zinc/28/87/06/134288706.db2.gz JDWDOKOJCVRBHU-VXGBXAGGSA-N 2 2 241.379 0.737 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)[C@H]1CCOC1 ZINC000130819008 358648297 /nfs/dbraw/zinc/64/82/97/358648297.db2.gz VMZDGVYMYKODQZ-RWMBFGLXSA-N 2 2 241.379 0.247 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)[C@H]1CCOC1 ZINC000130819008 358648298 /nfs/dbraw/zinc/64/82/98/358648298.db2.gz VMZDGVYMYKODQZ-RWMBFGLXSA-N 2 2 241.379 0.247 20 0 BCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCS(C)(=O)=O ZINC000133246007 358749154 /nfs/dbraw/zinc/74/91/54/358749154.db2.gz FSJHSJSCZGRDRE-MNOVXSKESA-N 2 2 248.392 0.351 20 0 BCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCS(C)(=O)=O ZINC000133246007 358749157 /nfs/dbraw/zinc/74/91/57/358749157.db2.gz FSJHSJSCZGRDRE-MNOVXSKESA-N 2 2 248.392 0.351 20 0 BCADLP CCOC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000133451804 358755423 /nfs/dbraw/zinc/75/54/23/358755423.db2.gz MEEJOZSAYKENNF-NEPJUHHUSA-N 2 2 229.368 0.247 20 0 BCADLP CCOC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000133451410 358755501 /nfs/dbraw/zinc/75/55/01/358755501.db2.gz MEEJOZSAYKENNF-VXGBXAGGSA-N 2 2 229.368 0.247 20 0 BCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N1CCCC1 ZINC000133560121 358758487 /nfs/dbraw/zinc/75/84/87/358758487.db2.gz HCEZQEWKNUFRNS-GFCCVEGCSA-N 2 2 241.379 0.914 20 0 BCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCCC1 ZINC000133560121 358758491 /nfs/dbraw/zinc/75/84/91/358758491.db2.gz HCEZQEWKNUFRNS-GFCCVEGCSA-N 2 2 241.379 0.914 20 0 BCADLP COC[C@@](C)(CCO)[NH2+]Cc1c[nH+]c[nH]1 ZINC000175852092 134289292 /nfs/dbraw/zinc/28/92/92/134289292.db2.gz UDMODKSLOWVLQK-SNVBAGLBSA-N 2 2 213.281 0.287 20 0 BCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CC2CC2)C[C@@H](C)O1 ZINC000578232187 366462865 /nfs/dbraw/zinc/46/28/65/366462865.db2.gz KYFMMFMRUOOASB-WZRBSPASSA-N 2 2 242.363 0.456 20 0 BCADLP CC[C@H](CCO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000134348832 358787690 /nfs/dbraw/zinc/78/76/90/358787690.db2.gz QABCDNQVTHPRHM-SNVBAGLBSA-N 2 2 240.351 0.737 20 0 BCADLP NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134860265 358809277 /nfs/dbraw/zinc/80/92/77/358809277.db2.gz IWKRNLBKSBHNAT-PWSUYJOCSA-N 2 2 237.347 0.420 20 0 BCADLP NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134860265 358809282 /nfs/dbraw/zinc/80/92/82/358809282.db2.gz IWKRNLBKSBHNAT-PWSUYJOCSA-N 2 2 237.347 0.420 20 0 BCADLP NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134860265 358809287 /nfs/dbraw/zinc/80/92/87/358809287.db2.gz IWKRNLBKSBHNAT-PWSUYJOCSA-N 2 2 237.347 0.420 20 0 BCADLP Cn1nncc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000135848554 358852336 /nfs/dbraw/zinc/85/23/36/358852336.db2.gz PPZTXMYSDWRRNS-UHFFFAOYSA-N 2 2 237.351 0.781 20 0 BCADLP C[C@@H](CF)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000419701880 358965347 /nfs/dbraw/zinc/96/53/47/358965347.db2.gz BISZJMZLWRCDSK-QMMMGPOBSA-N 2 2 214.288 0.934 20 0 BCADLP C[C@H](F)CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000578336123 366526994 /nfs/dbraw/zinc/52/69/94/366526994.db2.gz JPLOROSYQRYQEX-UWVGGRQHSA-N 2 2 246.330 0.019 20 0 BCADLP C[C@H](F)CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000578336123 366527002 /nfs/dbraw/zinc/52/70/02/366527002.db2.gz JPLOROSYQRYQEX-UWVGGRQHSA-N 2 2 246.330 0.019 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@]2(CCO)CCOC2)n1C ZINC000578338764 366527958 /nfs/dbraw/zinc/52/79/58/366527958.db2.gz WYOTWTOFNGUERA-GFCCVEGCSA-N 2 2 239.319 0.360 20 0 BCADLP Cn1c[nH+]cc1CC[NH2+]C1CC[NH+](C)CC1 ZINC000309627566 358949462 /nfs/dbraw/zinc/94/94/62/358949462.db2.gz GUNJCJCFRQIADC-UHFFFAOYSA-N 3 2 222.336 0.646 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000069891082 359035336 /nfs/dbraw/zinc/03/53/36/359035336.db2.gz NWNHKKFVDWBXAP-VXGBXAGGSA-N 2 2 230.352 0.722 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000069891082 359035340 /nfs/dbraw/zinc/03/53/40/359035340.db2.gz NWNHKKFVDWBXAP-VXGBXAGGSA-N 2 2 230.352 0.722 20 0 BCADLP CN(C)c1[nH+]cc(CNCCC[NH+](C)C)n1C ZINC000070142652 359043482 /nfs/dbraw/zinc/04/34/82/359043482.db2.gz XTHCPTSMCMCAMR-UHFFFAOYSA-N 2 2 239.367 0.527 20 0 BCADLP CN(C)c1ncc(C[NH2+]CCC[NH+](C)C)n1C ZINC000070142652 359043487 /nfs/dbraw/zinc/04/34/87/359043487.db2.gz XTHCPTSMCMCAMR-UHFFFAOYSA-N 2 2 239.367 0.527 20 0 BCADLP CC[C@]1(C(=O)NCc2[nH+]ccn2C)CC[NH2+]C1 ZINC000071276087 359075362 /nfs/dbraw/zinc/07/53/62/359075362.db2.gz AVCZWGXMRXCKEE-LBPRGKRZSA-N 2 2 236.319 0.426 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246402751 359078129 /nfs/dbraw/zinc/07/81/29/359078129.db2.gz QTRIBTRLNOKWJJ-VHSXEESVSA-N 2 2 213.325 0.134 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246402751 359078132 /nfs/dbraw/zinc/07/81/32/359078132.db2.gz QTRIBTRLNOKWJJ-VHSXEESVSA-N 2 2 213.325 0.134 20 0 BCADLP C[N@H+](CC[NH3+])C[C@H](O)COCc1ccccc1 ZINC000070380432 359052157 /nfs/dbraw/zinc/05/21/57/359052157.db2.gz DDVKTDKXQWUEFD-ZDUSSCGKSA-N 2 2 238.331 0.455 20 0 BCADLP C[N@@H+](CC[NH3+])C[C@H](O)COCc1ccccc1 ZINC000070380432 359052159 /nfs/dbraw/zinc/05/21/59/359052159.db2.gz DDVKTDKXQWUEFD-ZDUSSCGKSA-N 2 2 238.331 0.455 20 0 BCADLP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CCC[NH2+]C1 ZINC000423346154 192722403 /nfs/dbraw/zinc/72/24/03/192722403.db2.gz PSOLDYSKEYLOOT-UTUOFQBUSA-N 3 2 211.353 0.846 20 0 BCADLP O=C(C[C@@H]1CCC[NH2+]1)NCCNc1cccc[nH+]1 ZINC000578353562 366535436 /nfs/dbraw/zinc/53/54/36/366535436.db2.gz LDVAJOIRRJUGKU-NSHDSACASA-N 2 2 248.330 0.752 20 0 BCADLP CC(C)[C@@H]([NH3+])CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000578517703 366585663 /nfs/dbraw/zinc/58/56/63/366585663.db2.gz RBQMSDRXCSBNMU-MNOVXSKESA-N 2 2 238.335 0.934 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1CCCOCC1)C1CC1 ZINC000309202033 491146261 /nfs/dbraw/zinc/14/62/61/491146261.db2.gz AORMOAQDWJOROP-GFCCVEGCSA-N 2 2 228.336 0.164 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCOCC1)C1CC1 ZINC000309202033 491146262 /nfs/dbraw/zinc/14/62/62/491146262.db2.gz AORMOAQDWJOROP-GFCCVEGCSA-N 2 2 228.336 0.164 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCCOCC1)C1CC1 ZINC000309202033 491146263 /nfs/dbraw/zinc/14/62/63/491146263.db2.gz AORMOAQDWJOROP-GFCCVEGCSA-N 2 2 228.336 0.164 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+]1CCCOCC1)C1CC1 ZINC000309202033 491146264 /nfs/dbraw/zinc/14/62/64/491146264.db2.gz AORMOAQDWJOROP-GFCCVEGCSA-N 2 2 228.336 0.164 20 0 BCADLP COCC[NH+]1CCC([NH2+]Cc2ccno2)CC1 ZINC000578867910 366661883 /nfs/dbraw/zinc/66/18/83/366661883.db2.gz HXLMYQXZSJXGIG-UHFFFAOYSA-N 2 2 239.319 0.875 20 0 BCADLP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)CC[N@@H+]1C ZINC000090720566 360084924 /nfs/dbraw/zinc/08/49/24/360084924.db2.gz QFOGDAAFCIDBDB-VHSXEESVSA-N 2 2 223.324 0.387 20 0 BCADLP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)CC[N@H+]1C ZINC000090720566 360084928 /nfs/dbraw/zinc/08/49/28/360084928.db2.gz QFOGDAAFCIDBDB-VHSXEESVSA-N 2 2 223.324 0.387 20 0 BCADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)CC(N)=O ZINC000090847208 360090457 /nfs/dbraw/zinc/09/04/57/360090457.db2.gz ZNPZSICXABYJSB-JTQLQIEISA-N 2 2 221.304 0.786 20 0 BCADLP CNC(=O)CC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000095428221 360336775 /nfs/dbraw/zinc/33/67/75/360336775.db2.gz STZFYGUCVHXJNW-LBPRGKRZSA-N 2 2 249.314 0.671 20 0 BCADLP [NH3+]CCC[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000094692239 360316387 /nfs/dbraw/zinc/31/63/87/360316387.db2.gz CEAHETWZDDXYFQ-UHFFFAOYSA-N 2 2 249.358 0.859 20 0 BCADLP NC(=O)c1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107577917 181303703 /nfs/dbraw/zinc/30/37/03/181303703.db2.gz ISKNAPZPFTXUGS-BETUJISGSA-N 2 2 245.326 0.437 20 0 BCADLP NC(=O)c1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107577917 181303705 /nfs/dbraw/zinc/30/37/05/181303705.db2.gz ISKNAPZPFTXUGS-BETUJISGSA-N 2 2 245.326 0.437 20 0 BCADLP NC(=O)c1c[nH+]ccc1NCCCn1cc[nH+]c1 ZINC000302225789 181309648 /nfs/dbraw/zinc/30/96/48/181309648.db2.gz OYVYGSBRQSGLMQ-UHFFFAOYSA-N 2 2 245.286 0.879 20 0 BCADLP Cc1nc(C)c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000309628205 491153169 /nfs/dbraw/zinc/15/31/69/491153169.db2.gz GGKVGZFCAWSQJL-QWRGUYRKSA-N 2 2 221.304 0.943 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1NCc1[nH+]ccn1C ZINC000629389853 361036483 /nfs/dbraw/zinc/03/64/83/361036483.db2.gz CFRDPRYSHMFNOO-VHSXEESVSA-N 2 2 208.309 0.650 20 0 BCADLP C[NH2+]CCOCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000629406838 361053842 /nfs/dbraw/zinc/05/38/42/361053842.db2.gz ZFMRXPWNYBLKAS-RYUDHWBXSA-N 3 2 241.379 0.437 20 0 BCADLP C[NH2+]CCOCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000629406838 361053847 /nfs/dbraw/zinc/05/38/47/361053847.db2.gz ZFMRXPWNYBLKAS-RYUDHWBXSA-N 3 2 241.379 0.437 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000629453780 361078740 /nfs/dbraw/zinc/07/87/40/361078740.db2.gz UEOPJXCUKQUHGC-JTQLQIEISA-N 2 2 236.319 0.471 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000629453780 361078743 /nfs/dbraw/zinc/07/87/43/361078743.db2.gz UEOPJXCUKQUHGC-JTQLQIEISA-N 2 2 236.319 0.471 20 0 BCADLP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccn(C)n1 ZINC000629518718 361118688 /nfs/dbraw/zinc/11/86/88/361118688.db2.gz BRMJORBSHRCXHI-SNVBAGLBSA-N 2 2 238.335 0.579 20 0 BCADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629518882 361118790 /nfs/dbraw/zinc/11/87/90/361118790.db2.gz CHKJVYFHORXAQR-RYUDHWBXSA-N 3 2 241.379 0.601 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)O)C[N@@H+]1C1CC1 ZINC000133449521 491154479 /nfs/dbraw/zinc/15/44/79/491154479.db2.gz MSZUQGNBGXSHNQ-VHSXEESVSA-N 2 2 212.337 0.972 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)O)C[N@H+]1C1CC1 ZINC000133449521 491154480 /nfs/dbraw/zinc/15/44/80/491154480.db2.gz MSZUQGNBGXSHNQ-VHSXEESVSA-N 2 2 212.337 0.972 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCOC1CCOCC1 ZINC000629507718 361102074 /nfs/dbraw/zinc/10/20/74/361102074.db2.gz IBGVPXXAXMNAFW-LBPRGKRZSA-N 2 2 242.363 0.995 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@H+]1CCOC1CCOCC1 ZINC000629507718 361102076 /nfs/dbraw/zinc/10/20/76/361102076.db2.gz IBGVPXXAXMNAFW-LBPRGKRZSA-N 2 2 242.363 0.995 20 0 BCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000629511753 361105783 /nfs/dbraw/zinc/10/57/83/361105783.db2.gz QOVLWJUPDOZJMA-LLVKDONJSA-N 2 2 237.351 0.648 20 0 BCADLP CCn1nnc(C)c1C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000629511753 361105785 /nfs/dbraw/zinc/10/57/85/361105785.db2.gz QOVLWJUPDOZJMA-LLVKDONJSA-N 2 2 237.351 0.648 20 0 BCADLP Nc1ncccc1C[NH+]1CCC([NH3+])CC1 ZINC000629510204 361107793 /nfs/dbraw/zinc/10/77/93/361107793.db2.gz RXVQTMHTKKDTKM-UHFFFAOYSA-N 2 2 206.293 0.587 20 0 BCADLP CCO[C@H](C[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1)C1CC1 ZINC000629512674 361107849 /nfs/dbraw/zinc/10/78/49/361107849.db2.gz BPJNTWOAZSCDIQ-WCFLWFBJSA-N 2 2 242.363 0.850 20 0 BCADLP CCO[C@H](C[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1)C1CC1 ZINC000629512674 361107851 /nfs/dbraw/zinc/10/78/51/361107851.db2.gz BPJNTWOAZSCDIQ-WCFLWFBJSA-N 2 2 242.363 0.850 20 0 BCADLP CC(C)(C)CNC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000629519304 361120184 /nfs/dbraw/zinc/12/01/84/361120184.db2.gz OOWZGZGPHRUOFW-UHFFFAOYSA-N 2 2 227.352 0.620 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)CCOC1CCOCC1 ZINC000629510916 361108904 /nfs/dbraw/zinc/10/89/04/361108904.db2.gz XNVCIIAPWQEATB-JTQLQIEISA-N 2 2 216.325 0.461 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)CCOC1CCOCC1 ZINC000629510916 361108907 /nfs/dbraw/zinc/10/89/07/361108907.db2.gz XNVCIIAPWQEATB-JTQLQIEISA-N 2 2 216.325 0.461 20 0 BCADLP COc1cncc(C[N@H+](C)CC(C)(C)C[NH3+])n1 ZINC000629514879 361112382 /nfs/dbraw/zinc/11/23/82/361112382.db2.gz UXIPTUXCMLGAIG-UHFFFAOYSA-N 2 2 238.335 0.902 20 0 BCADLP COc1cncc(C[N@@H+](C)CC(C)(C)C[NH3+])n1 ZINC000629514879 361112387 /nfs/dbraw/zinc/11/23/87/361112387.db2.gz UXIPTUXCMLGAIG-UHFFFAOYSA-N 2 2 238.335 0.902 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+]1CCOC1CCOCC1 ZINC000629514575 361113093 /nfs/dbraw/zinc/11/30/93/361113093.db2.gz LOOKWMBBVQNVAX-LLVKDONJSA-N 2 2 228.336 0.605 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+]1CCOC1CCOCC1 ZINC000629514575 361113099 /nfs/dbraw/zinc/11/30/99/361113099.db2.gz LOOKWMBBVQNVAX-LLVKDONJSA-N 2 2 228.336 0.605 20 0 BCADLP CC(C)(C)CNC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000629530424 361144630 /nfs/dbraw/zinc/14/46/30/361144630.db2.gz GRCJFLZMVISKOF-CYBMUJFWSA-N 2 2 241.379 0.819 20 0 BCADLP CC(C)(C)CNC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000629530424 361144633 /nfs/dbraw/zinc/14/46/33/361144633.db2.gz GRCJFLZMVISKOF-CYBMUJFWSA-N 2 2 241.379 0.819 20 0 BCADLP COc1cncc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)n1 ZINC000629530818 361145775 /nfs/dbraw/zinc/14/57/75/361145775.db2.gz RZBZXEXCLNXQSI-LBPRGKRZSA-N 2 2 236.319 0.656 20 0 BCADLP COc1cncc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)n1 ZINC000629530818 361145777 /nfs/dbraw/zinc/14/57/77/361145777.db2.gz RZBZXEXCLNXQSI-LBPRGKRZSA-N 2 2 236.319 0.656 20 0 BCADLP C[C@H]([NH2+]C[C@H]1COCCN1C)[C@H]1CCCC[NH2+]1 ZINC000629532885 361155669 /nfs/dbraw/zinc/15/56/69/361155669.db2.gz XCRYUSCMWOXHGA-RWMBFGLXSA-N 2 2 241.379 0.437 20 0 BCADLP COCCCC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000158720506 361209440 /nfs/dbraw/zinc/20/94/40/361209440.db2.gz HVKXKGHTDCQNPM-SNVBAGLBSA-N 2 2 202.298 0.073 20 0 BCADLP COCCCC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000158720506 361209442 /nfs/dbraw/zinc/20/94/42/361209442.db2.gz HVKXKGHTDCQNPM-SNVBAGLBSA-N 2 2 202.298 0.073 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCN2CCC2)n1C ZINC000575072799 361291083 /nfs/dbraw/zinc/29/10/83/361291083.db2.gz KFBSGPIPISLWKK-UHFFFAOYSA-N 2 2 208.309 0.524 20 0 BCADLP C[NH2+]Cc1noc(C2([NH3+])CCCCC2)n1 ZINC000579121981 366716189 /nfs/dbraw/zinc/71/61/89/366716189.db2.gz REVAXGWFBRBQJP-UHFFFAOYSA-N 2 2 210.281 0.907 20 0 BCADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000579182614 366727417 /nfs/dbraw/zinc/72/74/17/366727417.db2.gz DNLXOJXXESGCAJ-UHFFFAOYSA-N 2 2 236.319 0.484 20 0 BCADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000579182614 366727418 /nfs/dbraw/zinc/72/74/18/366727418.db2.gz DNLXOJXXESGCAJ-UHFFFAOYSA-N 2 2 236.319 0.484 20 0 BCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000579221614 366735822 /nfs/dbraw/zinc/73/58/22/366735822.db2.gz DVXPXPVKNNPNAO-IVZWLZJFSA-N 2 2 234.303 0.811 20 0 BCADLP COC[C@@H](C)C[N@@H+]1CC[NH2+]C[C@](C)(F)C1 ZINC000579238782 366742307 /nfs/dbraw/zinc/74/23/07/366742307.db2.gz WWVDPJYENQNJQE-QWRGUYRKSA-N 2 2 218.316 0.902 20 0 BCADLP COC[C@@H](C)C[N@H+]1CC[NH2+]C[C@](C)(F)C1 ZINC000579238782 366742311 /nfs/dbraw/zinc/74/23/11/366742311.db2.gz WWVDPJYENQNJQE-QWRGUYRKSA-N 2 2 218.316 0.902 20 0 BCADLP COC1(C[NH2+]C[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC000428847221 201045395 /nfs/dbraw/zinc/04/53/95/201045395.db2.gz AHFKCPXYHRRVEG-LBPRGKRZSA-N 2 2 242.363 0.866 20 0 BCADLP COC1(C[NH2+]C[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC000428847221 201045399 /nfs/dbraw/zinc/04/53/99/201045399.db2.gz AHFKCPXYHRRVEG-LBPRGKRZSA-N 2 2 242.363 0.866 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@@](C)(O)C[NH2+]C)C[C@H](C)O1 ZINC000579250716 366746096 /nfs/dbraw/zinc/74/60/96/366746096.db2.gz PTMKSKNCNIJBPG-TUAOUCFPSA-N 2 2 230.352 0.456 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@@](C)(O)C[NH2+]C)C[C@H](C)O1 ZINC000579250716 366746104 /nfs/dbraw/zinc/74/61/04/366746104.db2.gz PTMKSKNCNIJBPG-TUAOUCFPSA-N 2 2 230.352 0.456 20 0 BCADLP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629540266 361398585 /nfs/dbraw/zinc/39/85/85/361398585.db2.gz OGMGCGJSBFGVKY-QNWJLWSRSA-N 3 2 241.379 0.469 20 0 BCADLP C[C@@H]([NH2+]CCOCCC[NH3+])[C@@H]1CCCC[NH2+]1 ZINC000629536256 361398717 /nfs/dbraw/zinc/39/87/17/361398717.db2.gz FTYLBYBJFSKZPF-NEPJUHHUSA-N 3 2 229.368 0.472 20 0 BCADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C[NH2+]1 ZINC000629540362 361413765 /nfs/dbraw/zinc/41/37/65/361413765.db2.gz OXIHBIAWTNRNRO-WOPDTQHZSA-N 3 2 211.353 0.859 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCC(C)(C)C ZINC000629545192 361425726 /nfs/dbraw/zinc/42/57/26/361425726.db2.gz CISFUSXTHSBUGC-WDEREUQCSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCC(C)(C)C ZINC000629545192 361425728 /nfs/dbraw/zinc/42/57/28/361425728.db2.gz CISFUSXTHSBUGC-WDEREUQCSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCn2cc[nH+]c21 ZINC000629544194 361435695 /nfs/dbraw/zinc/43/56/95/361435695.db2.gz GILIMMXZWHBSHJ-AEJSXWLSSA-N 2 2 206.293 0.668 20 0 BCADLP Nc1ncccc1C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000629552962 361437162 /nfs/dbraw/zinc/43/71/62/361437162.db2.gz TWVHMBGIZBXTPB-AAEUAGOBSA-N 2 2 232.331 0.977 20 0 BCADLP Nc1ncccc1C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000629552962 361437170 /nfs/dbraw/zinc/43/71/70/361437170.db2.gz TWVHMBGIZBXTPB-AAEUAGOBSA-N 2 2 232.331 0.977 20 0 BCADLP C[C@H](CCCC[NH3+])[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000629556645 361450026 /nfs/dbraw/zinc/45/00/26/361450026.db2.gz WIVQZHKLCIVBEH-NEPJUHHUSA-N 3 2 229.368 0.160 20 0 BCADLP C[C@H](CCCC[NH3+])[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000629556645 361450029 /nfs/dbraw/zinc/45/00/29/361450029.db2.gz WIVQZHKLCIVBEH-NEPJUHHUSA-N 3 2 229.368 0.160 20 0 BCADLP C[NH2+]CCOCC[N@H+](C)Cc1cc(C)on1 ZINC000629567875 361460408 /nfs/dbraw/zinc/46/04/08/361460408.db2.gz GPNOIPILXCAUSJ-UHFFFAOYSA-N 2 2 227.308 0.651 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)Cc1cc(C)on1 ZINC000629567875 361460415 /nfs/dbraw/zinc/46/04/15/361460415.db2.gz GPNOIPILXCAUSJ-UHFFFAOYSA-N 2 2 227.308 0.651 20 0 BCADLP O=c1ccc([C@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)n[nH]1 ZINC000629580406 361465713 /nfs/dbraw/zinc/46/57/13/361465713.db2.gz AUIKOSCVFUAZIF-CMPLNLGQSA-N 2 2 248.330 0.929 20 0 BCADLP O=c1ccc([C@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)n[nH]1 ZINC000629580406 361465718 /nfs/dbraw/zinc/46/57/18/361465718.db2.gz AUIKOSCVFUAZIF-CMPLNLGQSA-N 2 2 248.330 0.929 20 0 BCADLP Cc1nc(C[N@H+](C)CCOCC[NH3+])oc1C ZINC000629577812 361468212 /nfs/dbraw/zinc/46/82/12/361468212.db2.gz JSEWRUVCKWQYTP-UHFFFAOYSA-N 2 2 227.308 0.699 20 0 BCADLP Cc1nc(C[N@@H+](C)CCOCC[NH3+])oc1C ZINC000629577812 361468218 /nfs/dbraw/zinc/46/82/18/361468218.db2.gz JSEWRUVCKWQYTP-UHFFFAOYSA-N 2 2 227.308 0.699 20 0 BCADLP C[N@H+](CCOCC[NH3+])Cc1ncc(C2CC2)o1 ZINC000629577902 361468426 /nfs/dbraw/zinc/46/84/26/361468426.db2.gz KVNSXBRCEZIKNZ-UHFFFAOYSA-N 2 2 239.319 0.959 20 0 BCADLP C[N@@H+](CCOCC[NH3+])Cc1ncc(C2CC2)o1 ZINC000629577902 361468432 /nfs/dbraw/zinc/46/84/32/361468432.db2.gz KVNSXBRCEZIKNZ-UHFFFAOYSA-N 2 2 239.319 0.959 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCO[C@@H](CCF)C1 ZINC000629580983 361470502 /nfs/dbraw/zinc/47/05/02/361470502.db2.gz IOPUGFDZEGDKTO-JTQLQIEISA-N 2 2 204.289 0.656 20 0 BCADLP C[NH2+]CCC[N@H+]1CCO[C@@H](CCF)C1 ZINC000629580983 361470506 /nfs/dbraw/zinc/47/05/06/361470506.db2.gz IOPUGFDZEGDKTO-JTQLQIEISA-N 2 2 204.289 0.656 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000629580954 361470649 /nfs/dbraw/zinc/47/06/49/361470649.db2.gz HFGSGMIFBPKPPB-QWRGUYRKSA-N 2 2 234.315 0.017 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCO[C@@H](CCF)C1 ZINC000629580954 361470651 /nfs/dbraw/zinc/47/06/51/361470651.db2.gz HFGSGMIFBPKPPB-QWRGUYRKSA-N 2 2 234.315 0.017 20 0 BCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000629584723 361473865 /nfs/dbraw/zinc/47/38/65/361473865.db2.gz WWBYISOMYBSVHS-RWMBFGLXSA-N 3 2 223.364 0.527 20 0 BCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000629584723 361473874 /nfs/dbraw/zinc/47/38/74/361473874.db2.gz WWBYISOMYBSVHS-RWMBFGLXSA-N 3 2 223.364 0.527 20 0 BCADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)CC[S@@](=O)C1 ZINC000433272553 201173185 /nfs/dbraw/zinc/17/31/85/201173185.db2.gz PPNVMDXXLABCOV-MEDUHNTESA-N 2 2 241.360 0.584 20 0 BCADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)CC[S@@](=O)C1 ZINC000433272553 201173187 /nfs/dbraw/zinc/17/31/87/201173187.db2.gz PPNVMDXXLABCOV-MEDUHNTESA-N 2 2 241.360 0.584 20 0 BCADLP COCC[NH2+]CC[NH2+]CC1(OC)CCCC1 ZINC000629647904 361539137 /nfs/dbraw/zinc/53/91/37/361539137.db2.gz JOOOCOPTDPGLIF-UHFFFAOYSA-N 2 2 230.352 0.771 20 0 BCADLP COCc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)o1 ZINC000629648549 361540667 /nfs/dbraw/zinc/54/06/67/361540667.db2.gz QJKFIMLHVHQSLM-LBPRGKRZSA-N 2 2 240.303 0.504 20 0 BCADLP COCc1ccc(C[N@H+](C)C[C@H](O)C[NH3+])o1 ZINC000629648862 361542532 /nfs/dbraw/zinc/54/25/32/361542532.db2.gz ZIDPZWSJZQSNAQ-SECBINFHSA-N 2 2 228.292 0.177 20 0 BCADLP COCc1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])o1 ZINC000629648862 361542536 /nfs/dbraw/zinc/54/25/36/361542536.db2.gz ZIDPZWSJZQSNAQ-SECBINFHSA-N 2 2 228.292 0.177 20 0 BCADLP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(C)CC[NH2+]C2)C[NH2+]1 ZINC000629659743 361564818 /nfs/dbraw/zinc/56/48/18/361564818.db2.gz GAJHHDYZNKVVMM-WOPDTQHZSA-N 3 2 211.353 0.716 20 0 BCADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000629660298 361566385 /nfs/dbraw/zinc/56/63/85/361566385.db2.gz REZSLBREMGAETR-WOPDTQHZSA-N 3 2 211.353 0.716 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+](C)CCOCC[NH3+] ZINC000629664029 361595654 /nfs/dbraw/zinc/59/56/54/361595654.db2.gz JDVUHJNVIZBVRT-NSHDSACASA-N 3 2 217.357 0.267 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)CCOCC[NH3+] ZINC000629664029 361595657 /nfs/dbraw/zinc/59/56/57/361595657.db2.gz JDVUHJNVIZBVRT-NSHDSACASA-N 3 2 217.357 0.267 20 0 BCADLP c1cnn(CC[N@H+](C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000435235755 201256536 /nfs/dbraw/zinc/25/65/36/201256536.db2.gz OLPKNODGJCMZPA-LBPRGKRZSA-N 2 2 220.320 0.709 20 0 BCADLP c1cnn(CC[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000435235755 201256539 /nfs/dbraw/zinc/25/65/39/201256539.db2.gz OLPKNODGJCMZPA-LBPRGKRZSA-N 2 2 220.320 0.709 20 0 BCADLP Cn1c[nH+]cc1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435242977 201257020 /nfs/dbraw/zinc/25/70/20/201257020.db2.gz PQWVPACZPCAZGW-LLVKDONJSA-N 2 2 220.320 0.746 20 0 BCADLP O=C(CCn1cc[nH+]c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435240837 201257420 /nfs/dbraw/zinc/25/74/20/201257420.db2.gz QPWXDNMTWRFCLF-LBPRGKRZSA-N 2 2 248.330 0.626 20 0 BCADLP OCc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000309995412 491159637 /nfs/dbraw/zinc/15/96/37/491159637.db2.gz BYXMSCRILKNRGK-UWVGGRQHSA-N 2 2 222.288 0.423 20 0 BCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cncs1 ZINC000154288981 201272839 /nfs/dbraw/zinc/27/28/39/201272839.db2.gz GHFCQMUIRYENSE-DTWKUNHWSA-N 2 2 229.349 0.716 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCC[C@H](NC(=O)C(C)C)C1 ZINC000435873426 201292436 /nfs/dbraw/zinc/29/24/36/201292436.db2.gz VQVOCPIQKGEPFA-LBPRGKRZSA-N 2 2 241.379 0.833 20 0 BCADLP C[NH2+]CCC[N@H+]1CCC[C@H](NC(=O)C(C)C)C1 ZINC000435873426 201292438 /nfs/dbraw/zinc/29/24/38/201292438.db2.gz VQVOCPIQKGEPFA-LBPRGKRZSA-N 2 2 241.379 0.833 20 0 BCADLP C[NH2+]CCC[NH+]1CCN(c2cccnn2)CC1 ZINC000435886073 201294555 /nfs/dbraw/zinc/29/45/55/201294555.db2.gz RVADRCSKEOBQSJ-UHFFFAOYSA-N 2 2 235.335 0.208 20 0 BCADLP OCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000436481175 201329603 /nfs/dbraw/zinc/32/96/03/201329603.db2.gz RFDWEUULMRESGQ-UHFFFAOYSA-N 2 2 235.331 0.628 20 0 BCADLP [NH3+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000037801992 181349753 /nfs/dbraw/zinc/34/97/53/181349753.db2.gz JOKQLNMCRYODQL-UHFFFAOYSA-N 2 2 239.344 0.351 20 0 BCADLP COCC[N@@H+]1CC[C@H](N[C@H](C)C[NH+](C)C)C1 ZINC000328269760 363871537 /nfs/dbraw/zinc/87/15/37/363871537.db2.gz PDQONFFRGGCOKF-NEPJUHHUSA-N 2 2 229.368 0.247 20 0 BCADLP COCC[N@H+]1CC[C@H](N[C@H](C)C[NH+](C)C)C1 ZINC000328269760 363871539 /nfs/dbraw/zinc/87/15/39/363871539.db2.gz PDQONFFRGGCOKF-NEPJUHHUSA-N 2 2 229.368 0.247 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000630544878 364239767 /nfs/dbraw/zinc/23/97/67/364239767.db2.gz ICZOMTMQOCOVTP-NTSWFWBYSA-N 2 2 227.699 0.875 20 0 BCADLP Cc1cc(C)c(Cn2nnnc2C[NH3+])c(C)[nH+]1 ZINC000630583173 364289725 /nfs/dbraw/zinc/28/97/25/364289725.db2.gz ODGUHBSLZRJNDT-UHFFFAOYSA-N 2 2 232.291 0.500 20 0 BCADLP C[C@@H](NC(=O)[C@H](C)[NH+](C)C)c1[nH]cc[nH+]1 ZINC000615162064 364556309 /nfs/dbraw/zinc/55/63/09/364556309.db2.gz OLRKEJPAQSJRQH-SFYZADRCSA-N 2 2 210.281 0.537 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCOC2)n1C ZINC000573339229 364804852 /nfs/dbraw/zinc/80/48/52/364804852.db2.gz JQAZZPGGPNVJKJ-JTQLQIEISA-N 2 2 209.293 0.997 20 0 BCADLP [NH3+]CCCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000262671752 181372915 /nfs/dbraw/zinc/37/29/15/181372915.db2.gz OTCRUBARBPNSSU-UHFFFAOYSA-N 2 2 232.287 0.689 20 0 BCADLP Cc1noc(CCC[N@@H+]2CC[C@@H]([NH3+])C2)n1 ZINC000573724011 364902376 /nfs/dbraw/zinc/90/23/76/364902376.db2.gz KQGZGMMQWPPRES-SECBINFHSA-N 2 2 210.281 0.344 20 0 BCADLP Cc1noc(CCC[N@H+]2CC[C@@H]([NH3+])C2)n1 ZINC000573724011 364902378 /nfs/dbraw/zinc/90/23/78/364902378.db2.gz KQGZGMMQWPPRES-SECBINFHSA-N 2 2 210.281 0.344 20 0 BCADLP C[C@H](CC(=O)N[C@H]1CC[NH2+]C1)n1cc[nH+]c1 ZINC000573817538 364924107 /nfs/dbraw/zinc/92/41/07/364924107.db2.gz OPHRGPDGULUENV-ZJUUUORDSA-N 2 2 222.292 0.312 20 0 BCADLP [NH3+]CCCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000269245956 181373353 /nfs/dbraw/zinc/37/33/53/181373353.db2.gz DJKKKCFILXYHEJ-UHFFFAOYSA-N 3 2 245.286 0.945 20 0 BCADLP [NH3+]CCCCCCC(=O)NCc1[nH]cc[nH+]1 ZINC000070646699 181374706 /nfs/dbraw/zinc/37/47/06/181374706.db2.gz DQIDKLYFOYBIMF-UHFFFAOYSA-N 2 2 224.308 0.935 20 0 BCADLP [NH3+]CCC[NH+]1CCN(Cc2ccncc2)CC1 ZINC000037037854 181381024 /nfs/dbraw/zinc/38/10/24/181381024.db2.gz GQHRYOYLBZTKQN-UHFFFAOYSA-N 2 2 234.347 0.548 20 0 BCADLP C[NH2+]Cc1noc([C@@]2(C)CCCC[NH2+]2)n1 ZINC000574451900 365065106 /nfs/dbraw/zinc/06/51/06/365065106.db2.gz TUYZLRWBGPOESU-SNVBAGLBSA-N 2 2 210.281 0.778 20 0 BCADLP O=C(C[NH2+]C1CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000574274156 365024671 /nfs/dbraw/zinc/02/46/71/365024671.db2.gz KBRSPFFOBSKCJD-UHFFFAOYSA-N 2 2 248.330 0.868 20 0 BCADLP C[NH2+][C@@H](C)C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000574650499 365112845 /nfs/dbraw/zinc/11/28/45/365112845.db2.gz BEECTLUAAIYYNS-DTWKUNHWSA-N 2 2 224.308 0.831 20 0 BCADLP CN(C)c1ccc(CNC(=O)[C@H]2CC[NH2+]2)c[nH+]1 ZINC000444182047 193039102 /nfs/dbraw/zinc/03/91/02/193039102.db2.gz LANWBQMPHXFIDV-SNVBAGLBSA-N 2 2 234.303 0.126 20 0 BCADLP COCCCNC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000575748699 365352236 /nfs/dbraw/zinc/35/22/36/365352236.db2.gz TZOYUFDNXWTIDW-LBPRGKRZSA-N 2 2 245.367 0.102 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CF ZINC000575879064 365403969 /nfs/dbraw/zinc/40/39/69/365403969.db2.gz IDSHXXIXMXFUDF-GHMZBOCLSA-N 2 2 218.316 0.733 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CF ZINC000575879064 365403974 /nfs/dbraw/zinc/40/39/74/365403974.db2.gz IDSHXXIXMXFUDF-GHMZBOCLSA-N 2 2 218.316 0.733 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CF ZINC000575879064 365403979 /nfs/dbraw/zinc/40/39/79/365403979.db2.gz IDSHXXIXMXFUDF-GHMZBOCLSA-N 2 2 218.316 0.733 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CF ZINC000575879064 365403985 /nfs/dbraw/zinc/40/39/85/365403985.db2.gz IDSHXXIXMXFUDF-GHMZBOCLSA-N 2 2 218.316 0.733 20 0 BCADLP C[NH+](C)C1CC([NH2+]Cc2ccc(CO)o2)C1 ZINC000579612060 366907826 /nfs/dbraw/zinc/90/78/26/366907826.db2.gz WTFGTCCFCCKUDY-UHFFFAOYSA-N 2 2 224.304 0.954 20 0 BCADLP CC(C)NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000322260986 541495814 /nfs/dbraw/zinc/49/58/14/541495814.db2.gz SNCRNXDQBSWBFQ-UHFFFAOYSA-N 2 2 228.340 0.117 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H](C[NH3+])C2CC2)c[nH+]1 ZINC000564945184 325831678 /nfs/dbraw/zinc/83/16/78/325831678.db2.gz UNNCLTNIDKXMDG-MRVPVSSYSA-N 2 2 208.265 0.185 20 0 BCADLP Cc1noc(CCC[N@@H+](C)[C@@H](C)C[NH3+])n1 ZINC000579714558 366989536 /nfs/dbraw/zinc/98/95/36/366989536.db2.gz GDIITTUJKHOJNQ-QMMMGPOBSA-N 2 2 212.297 0.590 20 0 BCADLP Cc1noc(CCC[N@H+](C)[C@@H](C)C[NH3+])n1 ZINC000579714558 366989540 /nfs/dbraw/zinc/98/95/40/366989540.db2.gz GDIITTUJKHOJNQ-QMMMGPOBSA-N 2 2 212.297 0.590 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CF ZINC000579727583 366993427 /nfs/dbraw/zinc/99/34/27/366993427.db2.gz QFABKNMRGIUVIJ-NWDGAFQWSA-N 2 2 248.342 0.359 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CF ZINC000579727583 366993430 /nfs/dbraw/zinc/99/34/30/366993430.db2.gz QFABKNMRGIUVIJ-NWDGAFQWSA-N 2 2 248.342 0.359 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CF ZINC000579727583 366993436 /nfs/dbraw/zinc/99/34/36/366993436.db2.gz QFABKNMRGIUVIJ-NWDGAFQWSA-N 2 2 248.342 0.359 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1CF ZINC000579727583 366993441 /nfs/dbraw/zinc/99/34/41/366993441.db2.gz QFABKNMRGIUVIJ-NWDGAFQWSA-N 2 2 248.342 0.359 20 0 BCADLP C[NH2+][C@@H](C)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000579731634 366996459 /nfs/dbraw/zinc/99/64/59/366996459.db2.gz NNWZHCWNQONYIF-VIFPVBQESA-N 2 2 236.319 0.724 20 0 BCADLP [NH3+]Cc1noc([C@@H]2[NH2+]CCc3ccccc32)n1 ZINC000579831788 367036720 /nfs/dbraw/zinc/03/67/20/367036720.db2.gz NOSWOTPYFQCXNZ-LLVKDONJSA-N 2 2 230.271 0.763 20 0 BCADLP C[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000579971933 367097221 /nfs/dbraw/zinc/09/72/21/367097221.db2.gz WHSUQXRMNOJHHI-SECBINFHSA-N 2 2 210.281 0.170 20 0 BCADLP Cn1c[nH+]cc1CN1CC[NH2+]C[C@H]1C(F)F ZINC000579952879 367099421 /nfs/dbraw/zinc/09/94/21/367099421.db2.gz SSJPRIGXOPSKGW-VIFPVBQESA-N 2 2 230.262 0.459 20 0 BCADLP COC[C@@H](C)C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000580805906 367170639 /nfs/dbraw/zinc/17/06/39/367170639.db2.gz MRNYFMAYRMXNRM-JTQLQIEISA-N 2 2 209.293 0.981 20 0 BCADLP COC[C@@H](C)C[N@H+]1CCn2c[nH+]cc2C1 ZINC000580805906 367170642 /nfs/dbraw/zinc/17/06/42/367170642.db2.gz MRNYFMAYRMXNRM-JTQLQIEISA-N 2 2 209.293 0.981 20 0 BCADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000622309179 370837128 /nfs/dbraw/zinc/83/71/28/370837128.db2.gz GOFWGTKZMKTVCS-SNVBAGLBSA-N 2 2 247.302 0.593 20 0 BCADLP O=C(Nc1cc[nH+]cc1O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000581248900 367307458 /nfs/dbraw/zinc/30/74/58/367307458.db2.gz IXRFGNINXOFKIT-PELKAZGASA-N 2 2 233.271 0.147 20 0 BCADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1csnn1)CC2 ZINC000381196426 367361035 /nfs/dbraw/zinc/36/10/35/367361035.db2.gz AGXGJAGBNQKRTM-MRVPVSSYSA-N 2 2 235.316 0.839 20 0 BCADLP CCOC[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000381279537 367373460 /nfs/dbraw/zinc/37/34/60/367373460.db2.gz XSVXWMGELVUBGD-CMPLNLGQSA-N 2 2 230.352 0.456 20 0 BCADLP CCOC[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000381279537 367373463 /nfs/dbraw/zinc/37/34/63/367373463.db2.gz XSVXWMGELVUBGD-CMPLNLGQSA-N 2 2 230.352 0.456 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCCC[C@@H]2O)CCO1 ZINC000382039621 367481887 /nfs/dbraw/zinc/48/18/87/367481887.db2.gz HUYAVHZQTCPCJC-TUAOUCFPSA-N 2 2 228.336 0.197 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@@H]2O)CCO1 ZINC000382039621 367481891 /nfs/dbraw/zinc/48/18/91/367481891.db2.gz HUYAVHZQTCPCJC-TUAOUCFPSA-N 2 2 228.336 0.197 20 0 BCADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCO)CC1 ZINC000581467086 367494885 /nfs/dbraw/zinc/49/48/85/367494885.db2.gz ZIUOPQKFDGLBHI-NSHDSACASA-N 2 2 228.336 0.164 20 0 BCADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCO)CC1 ZINC000581467086 367494894 /nfs/dbraw/zinc/49/48/94/367494894.db2.gz ZIUOPQKFDGLBHI-NSHDSACASA-N 2 2 228.336 0.164 20 0 BCADLP C[C@H]([NH3+])[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000381700294 367449269 /nfs/dbraw/zinc/44/92/69/367449269.db2.gz GXFPYRPRTGCQKA-IUCAKERBSA-N 2 2 210.281 0.125 20 0 BCADLP C[NH2+]CC[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000382191406 367496468 /nfs/dbraw/zinc/49/64/68/367496468.db2.gz HSFSROZKSKPUFC-MNOVXSKESA-N 2 2 200.326 0.689 20 0 BCADLP C[NH2+]CC[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000382191406 367496470 /nfs/dbraw/zinc/49/64/70/367496470.db2.gz HSFSROZKSKPUFC-MNOVXSKESA-N 2 2 200.326 0.689 20 0 BCADLP COC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000382573122 367541704 /nfs/dbraw/zinc/54/17/04/367541704.db2.gz SOLATDBULHJTFL-NQBHXWOUSA-N 2 2 242.363 0.599 20 0 BCADLP COC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000382573122 367541709 /nfs/dbraw/zinc/54/17/09/367541709.db2.gz SOLATDBULHJTFL-NQBHXWOUSA-N 2 2 242.363 0.599 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1C ZINC000383607160 367643321 /nfs/dbraw/zinc/64/33/21/367643321.db2.gz RSNVBXLDSBBPOJ-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1C ZINC000383607160 367643327 /nfs/dbraw/zinc/64/33/27/367643327.db2.gz RSNVBXLDSBBPOJ-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1C ZINC000383607160 367643335 /nfs/dbraw/zinc/64/33/35/367643335.db2.gz RSNVBXLDSBBPOJ-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1C ZINC000383607160 367643339 /nfs/dbraw/zinc/64/33/39/367643339.db2.gz RSNVBXLDSBBPOJ-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000383644575 367646460 /nfs/dbraw/zinc/64/64/60/367646460.db2.gz CDKUAMJBUBDWQD-YPMHNXCESA-N 3 2 243.395 0.371 20 0 BCADLP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000383644575 367646468 /nfs/dbraw/zinc/64/64/68/367646468.db2.gz CDKUAMJBUBDWQD-YPMHNXCESA-N 3 2 243.395 0.371 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)CC)CCCO1 ZINC000383830266 367655918 /nfs/dbraw/zinc/65/59/18/367655918.db2.gz XPUJVMUKVKXGOJ-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)CC)CCCO1 ZINC000383830266 367655920 /nfs/dbraw/zinc/65/59/20/367655920.db2.gz XPUJVMUKVKXGOJ-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)CC)CCCO1 ZINC000383830266 367655921 /nfs/dbraw/zinc/65/59/21/367655921.db2.gz XPUJVMUKVKXGOJ-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)CC)CCCO1 ZINC000383830266 367655923 /nfs/dbraw/zinc/65/59/23/367655923.db2.gz XPUJVMUKVKXGOJ-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@H](NC(=O)Cn1cc[nH+]c1)c1[nH]cc[nH+]1 ZINC000383820051 367654460 /nfs/dbraw/zinc/65/44/60/367654460.db2.gz WLLCKPHVPCDVMU-VIFPVBQESA-N 2 2 233.275 0.874 20 0 BCADLP CN(C(=O)C[N@H+](C)C1CC([NH3+])C1)C1CC1 ZINC000384814993 367736857 /nfs/dbraw/zinc/73/68/57/367736857.db2.gz CZQDCPYBJRAWRA-UHFFFAOYSA-N 2 2 211.309 0.029 20 0 BCADLP CN(C(=O)C[N@@H+](C)C1CC([NH3+])C1)C1CC1 ZINC000384814993 367736859 /nfs/dbraw/zinc/73/68/59/367736859.db2.gz CZQDCPYBJRAWRA-UHFFFAOYSA-N 2 2 211.309 0.029 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000384863176 367745767 /nfs/dbraw/zinc/74/57/67/367745767.db2.gz NHAGELUMZISGEL-IDKOKCKLSA-N 2 2 213.325 0.323 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000384863176 367745772 /nfs/dbraw/zinc/74/57/72/367745772.db2.gz NHAGELUMZISGEL-IDKOKCKLSA-N 2 2 213.325 0.323 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC(C)(C)O)C1 ZINC000385119120 367795767 /nfs/dbraw/zinc/79/57/67/367795767.db2.gz FGLWOZGPELBZBS-NWDGAFQWSA-N 2 2 244.379 0.846 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC(C)(C)O)C1 ZINC000385119120 367795772 /nfs/dbraw/zinc/79/57/72/367795772.db2.gz FGLWOZGPELBZBS-NWDGAFQWSA-N 2 2 244.379 0.846 20 0 BCADLP CC[N@H+](C)CCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000566176795 326007454 /nfs/dbraw/zinc/00/74/54/326007454.db2.gz VABXIFOPHPLSIX-SECBINFHSA-N 2 2 242.348 0.211 20 0 BCADLP CC[N@@H+](C)CCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000566176795 326007456 /nfs/dbraw/zinc/00/74/56/326007456.db2.gz VABXIFOPHPLSIX-SECBINFHSA-N 2 2 242.348 0.211 20 0 BCADLP C[C@@H]1[C@@H](CO)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000385620496 367848159 /nfs/dbraw/zinc/84/81/59/367848159.db2.gz GZHKQQAVFNJCOD-GHMZBOCLSA-N 2 2 209.293 0.586 20 0 BCADLP C[C@@H]1[C@@H](CO)CC[N@H+]1CCn1cc[nH+]c1 ZINC000385620496 367848164 /nfs/dbraw/zinc/84/81/64/367848164.db2.gz GZHKQQAVFNJCOD-GHMZBOCLSA-N 2 2 209.293 0.586 20 0 BCADLP CC(C)[C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613567 367918343 /nfs/dbraw/zinc/91/83/43/367918343.db2.gz DFDMLUCTDCTVKX-QWRGUYRKSA-N 2 2 227.352 0.380 20 0 BCADLP CC(C)[C@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613567 367918347 /nfs/dbraw/zinc/91/83/47/367918347.db2.gz DFDMLUCTDCTVKX-QWRGUYRKSA-N 2 2 227.352 0.380 20 0 BCADLP CCCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000087613553 367918920 /nfs/dbraw/zinc/91/89/20/367918920.db2.gz MKKJTPJRBQGHQS-SNVBAGLBSA-N 2 2 213.325 0.278 20 0 BCADLP CCCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000087613553 367918924 /nfs/dbraw/zinc/91/89/24/367918924.db2.gz MKKJTPJRBQGHQS-SNVBAGLBSA-N 2 2 213.325 0.278 20 0 BCADLP C[C@H]([NH2+]C[C@H](O)C(F)F)[C@H]1CCCC[NH2+]1 ZINC000386583996 367996461 /nfs/dbraw/zinc/99/64/61/367996461.db2.gz PORWTDXRAVNKRV-YIZRAAEISA-N 2 2 222.279 0.733 20 0 BCADLP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000386367740 367957327 /nfs/dbraw/zinc/95/73/27/367957327.db2.gz AVNLMSGKPLNJMM-STQMWFEESA-N 3 2 243.395 0.685 20 0 BCADLP CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000566245435 326022662 /nfs/dbraw/zinc/02/26/62/326022662.db2.gz SCYLLHNDEXJXEF-UKKRHICBSA-N 2 2 214.309 0.130 20 0 BCADLP C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000386458409 367977588 /nfs/dbraw/zinc/97/75/88/367977588.db2.gz OXMSGYLECSQJHU-DCAQKATOSA-N 2 2 225.336 0.337 20 0 BCADLP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@H](C)[NH3+] ZINC000442662694 201584867 /nfs/dbraw/zinc/58/48/67/201584867.db2.gz FYQRRWIAPJHEMK-QWRGUYRKSA-N 2 2 227.352 0.666 20 0 BCADLP CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C[C@H](C)[NH3+] ZINC000442662694 201584870 /nfs/dbraw/zinc/58/48/70/201584870.db2.gz FYQRRWIAPJHEMK-QWRGUYRKSA-N 2 2 227.352 0.666 20 0 BCADLP CC[NH+]1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000084384578 368853219 /nfs/dbraw/zinc/85/32/19/368853219.db2.gz SFYDZIZYWAJHJW-GFCCVEGCSA-N 2 2 211.353 0.624 20 0 BCADLP C[C@@H]1CCC[N@H+](C[C@@H]2CCc3ncnn32)[C@@H]1C[NH3+] ZINC000631822147 368974519 /nfs/dbraw/zinc/97/45/19/368974519.db2.gz UPZXQIFKEGXSDT-GRYCIOLGSA-N 2 2 249.362 0.825 20 0 BCADLP C[C@@H]1CCC[N@@H+](C[C@@H]2CCc3ncnn32)[C@@H]1C[NH3+] ZINC000631822147 368974522 /nfs/dbraw/zinc/97/45/22/368974522.db2.gz UPZXQIFKEGXSDT-GRYCIOLGSA-N 2 2 249.362 0.825 20 0 BCADLP [NH3+]CC12CC(C1)C[N@@H+]2C[C@H]1CCc2ncnn21 ZINC000631829744 369005368 /nfs/dbraw/zinc/00/53/68/369005368.db2.gz YOQDYGLKMIMRID-SQLBVSGCSA-N 2 2 233.319 0.189 20 0 BCADLP [NH3+]CC12CC(C1)C[N@H+]2C[C@H]1CCc2ncnn21 ZINC000631829744 369005374 /nfs/dbraw/zinc/00/53/74/369005374.db2.gz YOQDYGLKMIMRID-SQLBVSGCSA-N 2 2 233.319 0.189 20 0 BCADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000623662556 369079230 /nfs/dbraw/zinc/07/92/30/369079230.db2.gz CPVWOHIRTYJDAM-HOMQSWHASA-N 2 2 248.330 0.501 20 0 BCADLP CCC[N@H+](C)CC(=O)NC1C[NH+](C(C)C)C1 ZINC000457723504 203095765 /nfs/dbraw/zinc/09/57/65/203095765.db2.gz OZXGFZOLQPTYLM-UHFFFAOYSA-N 2 2 227.352 0.537 20 0 BCADLP CCC[N@@H+](C)CC(=O)NC1C[NH+](C(C)C)C1 ZINC000457723504 203095766 /nfs/dbraw/zinc/09/57/66/203095766.db2.gz OZXGFZOLQPTYLM-UHFFFAOYSA-N 2 2 227.352 0.537 20 0 BCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NCc1ccco1 ZINC000107573612 369353888 /nfs/dbraw/zinc/35/38/88/369353888.db2.gz AKKXQUQHSFOZOI-QWRGUYRKSA-N 2 2 249.314 0.047 20 0 BCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccccc1 ZINC000107577533 369354162 /nfs/dbraw/zinc/35/41/62/369354162.db2.gz JKCZVETUTORQMF-VXGBXAGGSA-N 2 2 245.326 0.776 20 0 BCADLP c1c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)nc2ncccn12 ZINC000107855918 369363045 /nfs/dbraw/zinc/36/30/45/369363045.db2.gz RNUVEMNJDYRBRN-QWRGUYRKSA-N 2 2 243.314 0.381 20 0 BCADLP C[NH+](C)CC(C)(C)[NH2+]CCN1CCCOCC1 ZINC000459567838 203303045 /nfs/dbraw/zinc/30/30/45/203303045.db2.gz WLWRGVPAZTUACB-UHFFFAOYSA-N 2 2 243.395 0.639 20 0 BCADLP C[NH+](C)CC(C)(C)NCC[N@@H+]1CCCOCC1 ZINC000459567838 203303048 /nfs/dbraw/zinc/30/30/48/203303048.db2.gz WLWRGVPAZTUACB-UHFFFAOYSA-N 2 2 243.395 0.639 20 0 BCADLP C[NH+](C)CC(C)(C)NCC[N@H+]1CCCOCC1 ZINC000459567838 203303049 /nfs/dbraw/zinc/30/30/49/203303049.db2.gz WLWRGVPAZTUACB-UHFFFAOYSA-N 2 2 243.395 0.639 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC000622524470 370983342 /nfs/dbraw/zinc/98/33/42/370983342.db2.gz WGDALUPUBQSFBQ-UHFFFAOYSA-N 2 2 236.319 0.171 20 0 BCADLP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@H](C)O)C1 ZINC000250705443 369579285 /nfs/dbraw/zinc/57/92/85/369579285.db2.gz BVXJTBWAVOGAIK-QWRGUYRKSA-N 2 2 200.326 0.830 20 0 BCADLP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@H](C)O)C1 ZINC000250705443 369579288 /nfs/dbraw/zinc/57/92/88/369579288.db2.gz BVXJTBWAVOGAIK-QWRGUYRKSA-N 2 2 200.326 0.830 20 0 BCADLP CCOC(=O)[C@H](CC)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000251321202 369775515 /nfs/dbraw/zinc/77/55/15/369775515.db2.gz VIXNCHXULPMQCI-DCAQKATOSA-N 2 2 226.320 0.479 20 0 BCADLP CC[C@@H]([NH3+])CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000568151580 326313867 /nfs/dbraw/zinc/31/38/67/326313867.db2.gz FUECMOYPWWZXJK-NXEZZACHSA-N 2 2 224.308 0.688 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C1CC1 ZINC000310520298 370350570 /nfs/dbraw/zinc/35/05/70/370350570.db2.gz LVIFPYIUHZRPFY-YPMHNXCESA-N 2 2 244.379 0.656 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C1CC1 ZINC000310520298 370350574 /nfs/dbraw/zinc/35/05/74/370350574.db2.gz LVIFPYIUHZRPFY-YPMHNXCESA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)C1CC1 ZINC000310520298 370350576 /nfs/dbraw/zinc/35/05/76/370350576.db2.gz LVIFPYIUHZRPFY-YPMHNXCESA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)C1CC1 ZINC000310520298 370350580 /nfs/dbraw/zinc/35/05/80/370350580.db2.gz LVIFPYIUHZRPFY-YPMHNXCESA-N 2 2 244.379 0.656 20 0 BCADLP CC(=O)N1CC[C@@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000621387793 370330642 /nfs/dbraw/zinc/33/06/42/370330642.db2.gz OTHQWGIYCNVBKH-JLLWLGSASA-N 2 2 225.336 0.147 20 0 BCADLP CC(=O)N1CC[C@@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000621387793 370330646 /nfs/dbraw/zinc/33/06/46/370330646.db2.gz OTHQWGIYCNVBKH-JLLWLGSASA-N 2 2 225.336 0.147 20 0 BCADLP [NH3+][C@@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC000621699301 370446129 /nfs/dbraw/zinc/44/61/29/370446129.db2.gz RGIFOKUFQNALIT-WCQYABFASA-N 2 2 248.330 0.613 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621779080 370529367 /nfs/dbraw/zinc/52/93/67/370529367.db2.gz ZLPUOAGUQQHWQF-GBIKHYSHSA-N 2 2 237.347 0.467 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621779080 370529371 /nfs/dbraw/zinc/52/93/71/370529371.db2.gz ZLPUOAGUQQHWQF-GBIKHYSHSA-N 2 2 237.347 0.467 20 0 BCADLP [NH3+][C@]12CCC[C@H]1C[N@H+](CCn1cncn1)C2 ZINC000621781952 370529948 /nfs/dbraw/zinc/52/99/48/370529948.db2.gz KJTKJQYDZPNEGO-QWRGUYRKSA-N 2 2 221.308 0.091 20 0 BCADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC000621781952 370529950 /nfs/dbraw/zinc/52/99/50/370529950.db2.gz KJTKJQYDZPNEGO-QWRGUYRKSA-N 2 2 221.308 0.091 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCN1CCCC1=O)C2 ZINC000621781175 370530707 /nfs/dbraw/zinc/53/07/07/370530707.db2.gz ZXIXBHDFSNEREV-YPMHNXCESA-N 2 2 237.347 0.422 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC000621781175 370530713 /nfs/dbraw/zinc/53/07/13/370530713.db2.gz ZXIXBHDFSNEREV-YPMHNXCESA-N 2 2 237.347 0.422 20 0 BCADLP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000621783108 370532714 /nfs/dbraw/zinc/53/27/14/370532714.db2.gz XFTBGSANGLCBAZ-NWDGAFQWSA-N 2 2 220.320 0.733 20 0 BCADLP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000621783108 370532716 /nfs/dbraw/zinc/53/27/16/370532716.db2.gz XFTBGSANGLCBAZ-NWDGAFQWSA-N 2 2 220.320 0.733 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](Cc2cccnc2)CCCO1 ZINC000313343994 370581326 /nfs/dbraw/zinc/58/13/26/370581326.db2.gz DNRCMHBICZUHLV-GFCCVEGCSA-N 2 2 221.304 0.631 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccnc2)CCCO1 ZINC000313343994 370581329 /nfs/dbraw/zinc/58/13/29/370581329.db2.gz DNRCMHBICZUHLV-GFCCVEGCSA-N 2 2 221.304 0.631 20 0 BCADLP Cn1nccc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631889896 370997759 /nfs/dbraw/zinc/99/77/59/370997759.db2.gz KQTXETFKQIBKKE-YPMHNXCESA-N 2 2 234.347 0.994 20 0 BCADLP Cn1nccc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631889896 370997762 /nfs/dbraw/zinc/99/77/62/370997762.db2.gz KQTXETFKQIBKKE-YPMHNXCESA-N 2 2 234.347 0.994 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+]Cc2ccc(F)cc2)C1 ZINC000623756982 371083334 /nfs/dbraw/zinc/08/33/34/371083334.db2.gz LKMSXQWUEXPCPX-CYBMUJFWSA-N 2 2 238.306 0.982 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN(C)CC(F)F ZINC000623831864 371116440 /nfs/dbraw/zinc/11/64/40/371116440.db2.gz XZCPFYUKHASFRJ-UWVGGRQHSA-N 2 2 235.322 0.723 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN(C)CC(F)F ZINC000623831864 371116442 /nfs/dbraw/zinc/11/64/42/371116442.db2.gz XZCPFYUKHASFRJ-UWVGGRQHSA-N 2 2 235.322 0.723 20 0 BCADLP Cn1cccc1C[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000623836966 371119553 /nfs/dbraw/zinc/11/95/53/371119553.db2.gz RPCYJFMVWQPDDY-LBPRGKRZSA-N 2 2 223.320 0.181 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000569095661 326389517 /nfs/dbraw/zinc/38/95/17/326389517.db2.gz VEONNEVHOQREBH-UWVGGRQHSA-N 2 2 245.348 0.294 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000623962610 371199855 /nfs/dbraw/zinc/19/98/55/371199855.db2.gz KHVFXWVWAVFQPV-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000623962610 371199858 /nfs/dbraw/zinc/19/98/58/371199858.db2.gz KHVFXWVWAVFQPV-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP C[C@H](C[NH2+]Cc1ccc(=O)[nH]c1)[NH+](C)C ZINC000631065816 371255977 /nfs/dbraw/zinc/25/59/77/371255977.db2.gz UKXMXQZVHYXYPN-SECBINFHSA-N 2 2 209.293 0.827 20 0 BCADLP COCC[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624227493 371415748 /nfs/dbraw/zinc/41/57/48/371415748.db2.gz RNDPJCOGEGSZKU-WDEREUQCSA-N 2 2 216.325 0.068 20 0 BCADLP COCC[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624227493 371415752 /nfs/dbraw/zinc/41/57/52/371415752.db2.gz RNDPJCOGEGSZKU-WDEREUQCSA-N 2 2 216.325 0.068 20 0 BCADLP CC[C@H]1CC[C@H]1[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624230742 371418924 /nfs/dbraw/zinc/41/89/24/371418924.db2.gz FTANRMSSLHKKLF-QJPTWQEYSA-N 2 2 212.337 0.831 20 0 BCADLP CC[C@H]1CC[C@H]1[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624230742 371418928 /nfs/dbraw/zinc/41/89/28/371418928.db2.gz FTANRMSSLHKKLF-QJPTWQEYSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)[C@@H]1CCCOC1 ZINC000624337837 371487342 /nfs/dbraw/zinc/48/73/42/371487342.db2.gz POHGERXXFXJSAE-XQQFMLRXSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)[C@@H]1CCCOC1 ZINC000624337837 371487350 /nfs/dbraw/zinc/48/73/50/371487350.db2.gz POHGERXXFXJSAE-XQQFMLRXSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)[C@H]1CCCOC1 ZINC000624337835 371487890 /nfs/dbraw/zinc/48/78/90/371487890.db2.gz POHGERXXFXJSAE-AVGNSLFASA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)[C@H]1CCCOC1 ZINC000624337835 371487892 /nfs/dbraw/zinc/48/78/92/371487892.db2.gz POHGERXXFXJSAE-AVGNSLFASA-N 2 2 242.363 0.458 20 0 BCADLP CC1(C)[C@H](O)C[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000166402135 326432506 /nfs/dbraw/zinc/43/25/06/326432506.db2.gz LODJXCMQYOIBDH-NXEZZACHSA-N 2 2 209.293 0.632 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC000627649666 371808424 /nfs/dbraw/zinc/80/84/24/371808424.db2.gz FQPAXPUYDNFKHZ-PJXYFTJBSA-N 2 2 248.330 0.292 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000132535818 371856540 /nfs/dbraw/zinc/85/65/40/371856540.db2.gz OIYXNIKQUJKSCD-AXFHLTTASA-N 2 2 228.336 0.997 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000132535818 371856542 /nfs/dbraw/zinc/85/65/42/371856542.db2.gz OIYXNIKQUJKSCD-AXFHLTTASA-N 2 2 228.336 0.997 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1O ZINC000631740746 372540795 /nfs/dbraw/zinc/54/07/95/372540795.db2.gz FJMDKTUJPGZCOH-BQUFFADESA-N 2 2 224.348 0.972 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1O ZINC000631740746 372540802 /nfs/dbraw/zinc/54/08/02/372540802.db2.gz FJMDKTUJPGZCOH-BQUFFADESA-N 2 2 224.348 0.972 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC[C@@H]1O ZINC000631740747 372540903 /nfs/dbraw/zinc/54/09/03/372540903.db2.gz FJMDKTUJPGZCOH-MGAJPHDKSA-N 2 2 224.348 0.972 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC[C@@H]1O ZINC000631740747 372540907 /nfs/dbraw/zinc/54/09/07/372540907.db2.gz FJMDKTUJPGZCOH-MGAJPHDKSA-N 2 2 224.348 0.972 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCCC[C@@H]1O ZINC000631810887 372584303 /nfs/dbraw/zinc/58/43/03/372584303.db2.gz HHMJVPQJMCPFQY-QCNOEVLYSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCCC[C@@H]1O ZINC000631810887 372584306 /nfs/dbraw/zinc/58/43/06/372584306.db2.gz HHMJVPQJMCPFQY-QCNOEVLYSA-N 2 2 212.337 0.830 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000631820787 372593141 /nfs/dbraw/zinc/59/31/41/372593141.db2.gz GHJXDNFLLVHABZ-GHMZBOCLSA-N 2 2 235.335 0.579 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@H+]1C[C@H]1CCc2ncnn21 ZINC000631820787 372593143 /nfs/dbraw/zinc/59/31/43/372593143.db2.gz GHJXDNFLLVHABZ-GHMZBOCLSA-N 2 2 235.335 0.579 20 0 BCADLP C[NH2+][C@H]1CC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631820877 372593192 /nfs/dbraw/zinc/59/31/92/372593192.db2.gz JACDAYRAVBQXAP-UWVGGRQHSA-N 2 2 221.308 0.059 20 0 BCADLP C[NH2+][C@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631820877 372593196 /nfs/dbraw/zinc/59/31/96/372593196.db2.gz JACDAYRAVBQXAP-UWVGGRQHSA-N 2 2 221.308 0.059 20 0 BCADLP [NH3+]C[C@H]1CC[N@H+](Cc2nc(CC3CC3)no2)C1 ZINC000631820552 372593691 /nfs/dbraw/zinc/59/36/91/372593691.db2.gz CDVGGSIZFMXQDO-SNVBAGLBSA-N 2 2 236.319 0.803 20 0 BCADLP [NH3+]C[C@H]1CC[N@@H+](Cc2nc(CC3CC3)no2)C1 ZINC000631820552 372593700 /nfs/dbraw/zinc/59/37/00/372593700.db2.gz CDVGGSIZFMXQDO-SNVBAGLBSA-N 2 2 236.319 0.803 20 0 BCADLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1ccccn1)C1CC1 ZINC000631822900 372599926 /nfs/dbraw/zinc/59/99/26/372599926.db2.gz RLOLUMKBALMSFB-CYBMUJFWSA-N 2 2 248.330 0.737 20 0 BCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631831412 372614543 /nfs/dbraw/zinc/61/45/43/372614543.db2.gz CYHNMEJSKGEPRE-QWRGUYRKSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631831412 372614547 /nfs/dbraw/zinc/61/45/47/372614547.db2.gz CYHNMEJSKGEPRE-QWRGUYRKSA-N 2 2 239.363 0.857 20 0 BCADLP [NH3+][C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)CC[C@H]1F ZINC000631830595 372614582 /nfs/dbraw/zinc/61/45/82/372614582.db2.gz WVYHIUMXVZAGRD-OPRDCNLKSA-N 2 2 239.298 0.137 20 0 BCADLP [NH3+][C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)CC[C@H]1F ZINC000631830595 372614590 /nfs/dbraw/zinc/61/45/90/372614590.db2.gz WVYHIUMXVZAGRD-OPRDCNLKSA-N 2 2 239.298 0.137 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCC(=O)NC1CCCC1 ZINC000631860091 372660201 /nfs/dbraw/zinc/66/02/01/372660201.db2.gz UOXHUHJWKCWOGD-GHMZBOCLSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCC(=O)NC1CCCC1 ZINC000631860091 372660205 /nfs/dbraw/zinc/66/02/05/372660205.db2.gz UOXHUHJWKCWOGD-GHMZBOCLSA-N 2 2 239.363 0.857 20 0 BCADLP COC[C@H](C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C)OC ZINC000631861900 372661079 /nfs/dbraw/zinc/66/10/79/372661079.db2.gz JSGBVFSJIXACOQ-GUBZILKMSA-N 2 2 202.298 0.069 20 0 BCADLP COC[C@H](C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C)OC ZINC000631861900 372661083 /nfs/dbraw/zinc/66/10/83/372661083.db2.gz JSGBVFSJIXACOQ-GUBZILKMSA-N 2 2 202.298 0.069 20 0 BCADLP CC(C)N1CCC[C@H]([N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)C1=O ZINC000631861312 372662030 /nfs/dbraw/zinc/66/20/30/372662030.db2.gz YZLAMHAIKHAMND-SRVKXCTJSA-N 2 2 239.363 0.807 20 0 BCADLP CC(C)N1CCC[C@H]([N@H+]2C[C@@H]([NH3+])C[C@@H]2C)C1=O ZINC000631861312 372662039 /nfs/dbraw/zinc/66/20/39/372662039.db2.gz YZLAMHAIKHAMND-SRVKXCTJSA-N 2 2 239.363 0.807 20 0 BCADLP Cc1ccncc1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000631862414 372663122 /nfs/dbraw/zinc/66/31/22/372663122.db2.gz PHZQEFVEQKMNJL-UHFFFAOYSA-N 2 2 249.358 0.936 20 0 BCADLP Cc1cccnc1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000631862435 372663820 /nfs/dbraw/zinc/66/38/20/372663820.db2.gz IWIWYZPBWHOIND-UHFFFAOYSA-N 2 2 249.358 0.936 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000631865278 372666302 /nfs/dbraw/zinc/66/63/02/372666302.db2.gz GJSOPUTXKOITQM-SECBINFHSA-N 2 2 222.279 0.952 20 0 BCADLP C[NH2+]CCC[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000631865278 372666307 /nfs/dbraw/zinc/66/63/07/372666307.db2.gz GJSOPUTXKOITQM-SECBINFHSA-N 2 2 222.279 0.952 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000631865279 372666642 /nfs/dbraw/zinc/66/66/42/372666642.db2.gz GJSOPUTXKOITQM-VIFPVBQESA-N 2 2 222.279 0.952 20 0 BCADLP C[NH2+]CCC[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000631865279 372666644 /nfs/dbraw/zinc/66/66/44/372666644.db2.gz GJSOPUTXKOITQM-VIFPVBQESA-N 2 2 222.279 0.952 20 0 BCADLP O=C1CCCN1CC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631868658 372671243 /nfs/dbraw/zinc/67/12/43/372671243.db2.gz MHWGDMKLEVAYSK-YPMHNXCESA-N 2 2 237.347 0.341 20 0 BCADLP CC(C)(C)NC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631869759 372672598 /nfs/dbraw/zinc/67/25/98/372672598.db2.gz UCPNSUWLPZJRQW-MFKMUULPSA-N 2 2 239.363 0.633 20 0 BCADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NC1CC1 ZINC000631888113 372682087 /nfs/dbraw/zinc/68/20/87/372682087.db2.gz WLEFJQHMHIDYOH-CMPLNLGQSA-N 2 2 237.347 0.339 20 0 BCADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NC1CC1 ZINC000631888113 372682093 /nfs/dbraw/zinc/68/20/93/372682093.db2.gz WLEFJQHMHIDYOH-CMPLNLGQSA-N 2 2 237.347 0.339 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887669 372682998 /nfs/dbraw/zinc/68/29/98/372682998.db2.gz SWTHLSMTDMBTML-NWDGAFQWSA-N 2 2 239.363 0.585 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887669 372683002 /nfs/dbraw/zinc/68/30/02/372683002.db2.gz SWTHLSMTDMBTML-NWDGAFQWSA-N 2 2 239.363 0.585 20 0 BCADLP Cn1cc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cn1 ZINC000631889303 372683816 /nfs/dbraw/zinc/68/38/16/372683816.db2.gz ICHZXRLYRSFDCJ-QWHCGFSZSA-N 2 2 234.347 0.994 20 0 BCADLP Cn1cc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cn1 ZINC000631889303 372683825 /nfs/dbraw/zinc/68/38/25/372683825.db2.gz ICHZXRLYRSFDCJ-QWHCGFSZSA-N 2 2 234.347 0.994 20 0 BCADLP Cn1cc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cn1 ZINC000631889302 372684491 /nfs/dbraw/zinc/68/44/91/372684491.db2.gz ICHZXRLYRSFDCJ-OLZOCXBDSA-N 2 2 234.347 0.994 20 0 BCADLP Cn1cc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cn1 ZINC000631889302 372684498 /nfs/dbraw/zinc/68/44/98/372684498.db2.gz ICHZXRLYRSFDCJ-OLZOCXBDSA-N 2 2 234.347 0.994 20 0 BCADLP Cc1cc(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc[nH+]1 ZINC000632926408 373223991 /nfs/dbraw/zinc/22/39/91/373223991.db2.gz AQJDEBJMNTYOGZ-TXEJJXNPSA-N 2 2 246.314 0.780 20 0 BCADLP O=C(NCCCNc1cccc[nH+]1)[C@@H]1CC[NH2+]C1 ZINC000165242860 182168245 /nfs/dbraw/zinc/16/82/45/182168245.db2.gz ZBSQJXNTCONWNP-LLVKDONJSA-N 2 2 248.330 0.609 20 0 BCADLP O=C(NCCCNc1cccc[nH+]1)[C@H]1CCC[NH2+]1 ZINC000165241439 182168915 /nfs/dbraw/zinc/16/89/15/182168915.db2.gz DPEVJOXBXZRUBZ-LLVKDONJSA-N 2 2 248.330 0.752 20 0 BCADLP O=C(NCCn1cc[nH+]c1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280870812 182216435 /nfs/dbraw/zinc/21/64/35/182216435.db2.gz OCDXHCBWZOVVJI-YPMHNXCESA-N 2 2 248.330 0.389 20 0 BCADLP O=C(NCCn1cc[nH+]c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279535266 182216693 /nfs/dbraw/zinc/21/66/93/182216693.db2.gz PPBLHIGBWQZMFP-GFCCVEGCSA-N 2 2 248.330 0.626 20 0 BCADLP O=C(NCCn1cc[nH+]c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000279535266 182216694 /nfs/dbraw/zinc/21/66/94/182216694.db2.gz PPBLHIGBWQZMFP-GFCCVEGCSA-N 2 2 248.330 0.626 20 0 BCADLP CCCCNC(=O)[C@H](C)[NH+]1CCC([NH2+]C)CC1 ZINC000037536912 168857866 /nfs/dbraw/zinc/85/78/66/168857866.db2.gz KUJVZJLXRWUOIE-NSHDSACASA-N 2 2 241.379 0.975 20 0 BCADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1CC[NH2+]C1 ZINC000262680039 182264565 /nfs/dbraw/zinc/26/45/65/182264565.db2.gz WJHPMENGUOHFHM-LLVKDONJSA-N 2 2 244.298 0.560 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CC12CC2 ZINC000424379243 206040633 /nfs/dbraw/zinc/04/06/33/206040633.db2.gz VCZMMTYMEZIZDZ-MXWKQRLJSA-N 2 2 210.321 0.896 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]C[C@H](O)C(C)C)[C@@H](C)C1 ZINC000336758393 170035186 /nfs/dbraw/zinc/03/51/86/170035186.db2.gz JTKFEROCVBVBFO-SRVKXCTJSA-N 2 2 214.353 0.933 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H](O)C(C)C)[C@@H](C)C1 ZINC000336758393 170035187 /nfs/dbraw/zinc/03/51/87/170035187.db2.gz JTKFEROCVBVBFO-SRVKXCTJSA-N 2 2 214.353 0.933 20 0 BCADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CSC[NH2+]1 ZINC000044726741 182334469 /nfs/dbraw/zinc/33/44/69/182334469.db2.gz PCVGNOBEAWLYDW-WPRPVWTQSA-N 2 2 241.360 0.002 20 0 BCADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CSC[NH2+]1 ZINC000044726741 182334470 /nfs/dbraw/zinc/33/44/70/182334470.db2.gz PCVGNOBEAWLYDW-WPRPVWTQSA-N 2 2 241.360 0.002 20 0 BCADLP CCOC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044531225 170219000 /nfs/dbraw/zinc/21/90/00/170219000.db2.gz WJFLADBWBDOYKA-VIFPVBQESA-N 2 2 200.282 0.220 20 0 BCADLP CCOC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044531225 170219002 /nfs/dbraw/zinc/21/90/02/170219002.db2.gz WJFLADBWBDOYKA-VIFPVBQESA-N 2 2 200.282 0.220 20 0 BCADLP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360814710 169002354 /nfs/dbraw/zinc/00/23/54/169002354.db2.gz CXMWJLRCRMUPDS-RKDXNWHRSA-N 2 2 249.305 0.617 20 0 BCADLP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360814706 169002748 /nfs/dbraw/zinc/00/27/48/169002748.db2.gz CXMWJLRCRMUPDS-BDAKNGLRSA-N 2 2 249.305 0.617 20 0 BCADLP O[C@@H](C[NH2+]Cc1cncs1)C[NH+]1CCCC1 ZINC000157450762 183180362 /nfs/dbraw/zinc/18/03/62/183180362.db2.gz NOQPNCWBVDDVBC-JTQLQIEISA-N 2 2 241.360 0.689 20 0 BCADLP O[C@H](C[NH2+]Cc1cncs1)C[NH+]1CCCC1 ZINC000157450929 183223572 /nfs/dbraw/zinc/22/35/72/183223572.db2.gz NOQPNCWBVDDVBC-SNVBAGLBSA-N 2 2 241.360 0.689 20 0 BCADLP O[C@@]1(C[NH2+]Cc2cccc3[nH+]ccn32)CCOC1 ZINC000179431010 183217262 /nfs/dbraw/zinc/21/72/62/183217262.db2.gz MSTWMDIYORPHTK-CYBMUJFWSA-N 2 2 247.298 0.575 20 0 BCADLP CCC[N@H+](CCOCCOC)[C@H]1CC[NH2+]C1 ZINC000070028354 169168317 /nfs/dbraw/zinc/16/83/17/169168317.db2.gz VVGKWPSIQFABMG-LBPRGKRZSA-N 2 2 230.352 0.723 20 0 BCADLP CCC[N@@H+](CCOCCOC)[C@H]1CC[NH2+]C1 ZINC000070028354 169168318 /nfs/dbraw/zinc/16/83/18/169168318.db2.gz VVGKWPSIQFABMG-LBPRGKRZSA-N 2 2 230.352 0.723 20 0 BCADLP CCC[N@H+](CC[C@H]1CCC[NH+]1C)CC(=O)NC ZINC000125200731 169171169 /nfs/dbraw/zinc/17/11/69/169171169.db2.gz IJQIXPHBLSDAEU-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP CCC[N@@H+](CC[C@H]1CCC[NH+]1C)CC(=O)NC ZINC000125200731 169171172 /nfs/dbraw/zinc/17/11/72/169171172.db2.gz IJQIXPHBLSDAEU-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP CCC[NH+](CC[C@H]1CCC[N@@H+]1C)CC(=O)NC ZINC000125200731 169171173 /nfs/dbraw/zinc/17/11/73/169171173.db2.gz IJQIXPHBLSDAEU-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP CCC[NH+](CC[C@H]1CCC[N@H+]1C)CC(=O)NC ZINC000125200731 169171174 /nfs/dbraw/zinc/17/11/74/169171174.db2.gz IJQIXPHBLSDAEU-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP CCC[NH+]1CCC([NH2+]C[C@H](O)C[NH+](C)C)CC1 ZINC000049555208 169187787 /nfs/dbraw/zinc/18/77/87/169187787.db2.gz CRMQBDFHUYDWBU-ZDUSSCGKSA-N 3 2 243.395 0.373 20 0 BCADLP c1c[nH]c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000049715478 183325639 /nfs/dbraw/zinc/32/56/39/183325639.db2.gz RCLUQDSJAPCJFX-SNVBAGLBSA-N 2 2 220.320 0.984 20 0 BCADLP c1c[nH]c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000049715478 183325642 /nfs/dbraw/zinc/32/56/42/183325642.db2.gz RCLUQDSJAPCJFX-SNVBAGLBSA-N 2 2 220.320 0.984 20 0 BCADLP c1cn2c(cccc2C[NH2+]C[C@@H]2COCCO2)[nH+]1 ZINC000354273044 183350896 /nfs/dbraw/zinc/35/08/96/183350896.db2.gz RFVDOUFWXWPHIF-GFCCVEGCSA-N 2 2 247.298 0.839 20 0 BCADLP CCCNC(=O)CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336779868 169216744 /nfs/dbraw/zinc/21/67/44/169216744.db2.gz PQXBAHYHPODSMA-GHMZBOCLSA-N 2 2 227.352 0.442 20 0 BCADLP CCCNC(=O)CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336779868 169216745 /nfs/dbraw/zinc/21/67/45/169216745.db2.gz PQXBAHYHPODSMA-GHMZBOCLSA-N 2 2 227.352 0.442 20 0 BCADLP CCCNC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118842577 169219092 /nfs/dbraw/zinc/21/90/92/169219092.db2.gz RCLLMUHUOWXEAW-LBPRGKRZSA-N 2 2 241.379 0.786 20 0 BCADLP CCCNC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118842577 169219093 /nfs/dbraw/zinc/21/90/93/169219093.db2.gz RCLLMUHUOWXEAW-LBPRGKRZSA-N 2 2 241.379 0.786 20 0 BCADLP CCCNC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000118842577 169219095 /nfs/dbraw/zinc/21/90/95/169219095.db2.gz RCLLMUHUOWXEAW-LBPRGKRZSA-N 2 2 241.379 0.786 20 0 BCADLP CCCNC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842577 169219096 /nfs/dbraw/zinc/21/90/96/169219096.db2.gz RCLLMUHUOWXEAW-LBPRGKRZSA-N 2 2 241.379 0.786 20 0 BCADLP CCCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123433848 169219858 /nfs/dbraw/zinc/21/98/58/169219858.db2.gz FJZTYWDGWOZZCJ-VXGBXAGGSA-N 2 2 241.379 0.927 20 0 BCADLP CCCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123433848 169219860 /nfs/dbraw/zinc/21/98/60/169219860.db2.gz FJZTYWDGWOZZCJ-VXGBXAGGSA-N 2 2 241.379 0.927 20 0 BCADLP CCCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123433848 169219862 /nfs/dbraw/zinc/21/98/62/169219862.db2.gz FJZTYWDGWOZZCJ-VXGBXAGGSA-N 2 2 241.379 0.927 20 0 BCADLP CCCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123433848 169219864 /nfs/dbraw/zinc/21/98/64/169219864.db2.gz FJZTYWDGWOZZCJ-VXGBXAGGSA-N 2 2 241.379 0.927 20 0 BCADLP Cc1c(C[NH2+][C@H]2CCC[NH2+]C2)cnn1C ZINC000226309553 134360441 /nfs/dbraw/zinc/36/04/41/134360441.db2.gz ZXLGUKVQCKDOPA-NSHDSACASA-N 2 2 208.309 0.570 20 0 BCADLP C[C@@H]([NH2+]CC[NH+](C)C)[C@@H]1CCCOC1 ZINC000308637944 383827750 /nfs/dbraw/zinc/82/77/50/383827750.db2.gz CXSBBCGHSXPXLS-GHMZBOCLSA-N 2 2 200.326 0.953 20 0 BCADLP CC(C)[C@@H]([NH3+])C(=O)N(C)Cc1[nH+]ccn1C ZINC000037822974 383865163 /nfs/dbraw/zinc/86/51/63/383865163.db2.gz IJIXQRIMVSDFTL-SNVBAGLBSA-N 2 2 224.308 0.362 20 0 BCADLP Cn1ccc(C[NH2+]CCCn2cc[nH+]c2)n1 ZINC000112337448 383916828 /nfs/dbraw/zinc/91/68/28/383916828.db2.gz GNWNYPUHDVLSGT-UHFFFAOYSA-N 2 2 219.292 0.797 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000089090925 383934272 /nfs/dbraw/zinc/93/42/72/383934272.db2.gz RFOGVXOAQIBNRV-WDEREUQCSA-N 2 2 236.319 0.517 20 0 BCADLP C[C@]1(C(=O)NCc2[nH]cc[nH+]2)CC[NH2+]C1 ZINC000070646671 383947506 /nfs/dbraw/zinc/94/75/06/383947506.db2.gz BVDFGDCQXMXTCL-JTQLQIEISA-N 2 2 208.265 0.026 20 0 BCADLP Cc1n[nH]cc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000221143601 383976256 /nfs/dbraw/zinc/97/62/56/383976256.db2.gz QMCZDVHFYSHNAA-LLVKDONJSA-N 2 2 208.309 0.902 20 0 BCADLP Cc1n[nH]cc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000221143601 383976261 /nfs/dbraw/zinc/97/62/61/383976261.db2.gz QMCZDVHFYSHNAA-LLVKDONJSA-N 2 2 208.309 0.902 20 0 BCADLP CN1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)C1=O ZINC000309570997 384029788 /nfs/dbraw/zinc/02/97/88/384029788.db2.gz NQEKNEAZGLYJPM-NSHDSACASA-N 2 2 225.336 0.291 20 0 BCADLP C([NH2+]CC1CC1)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000647156705 384042048 /nfs/dbraw/zinc/04/20/48/384042048.db2.gz NCCOOMOQYGAYNC-SECBINFHSA-N 2 2 222.292 0.994 20 0 BCADLP CCCC[N@H+](CCO)CCn1cc[nH+]c1 ZINC000049800524 384042454 /nfs/dbraw/zinc/04/24/54/384042454.db2.gz IFEDUZGGOZDXEB-UHFFFAOYSA-N 2 2 211.309 0.978 20 0 BCADLP CCCC[N@@H+](CCO)CCn1cc[nH+]c1 ZINC000049800524 384042460 /nfs/dbraw/zinc/04/24/60/384042460.db2.gz IFEDUZGGOZDXEB-UHFFFAOYSA-N 2 2 211.309 0.978 20 0 BCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000518607122 384067775 /nfs/dbraw/zinc/06/77/75/384067775.db2.gz XXJYCADZSWEYFL-LLVKDONJSA-N 2 2 248.330 0.626 20 0 BCADLP COC(=O)[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000050048853 384101813 /nfs/dbraw/zinc/10/18/13/384101813.db2.gz CGWGJXSJXBHFPZ-JTQLQIEISA-N 2 2 223.276 0.521 20 0 BCADLP COC(=O)[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000050048853 384101819 /nfs/dbraw/zinc/10/18/19/384101819.db2.gz CGWGJXSJXBHFPZ-JTQLQIEISA-N 2 2 223.276 0.521 20 0 BCADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH+](C)C ZINC000293914586 384126527 /nfs/dbraw/zinc/12/65/27/384126527.db2.gz SCMSFQLQHAGMBS-SNVBAGLBSA-N 2 2 238.335 0.656 20 0 BCADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH+](C)C ZINC000293914586 384126532 /nfs/dbraw/zinc/12/65/32/384126532.db2.gz SCMSFQLQHAGMBS-SNVBAGLBSA-N 2 2 238.335 0.656 20 0 BCADLP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449391926 384158326 /nfs/dbraw/zinc/15/83/26/384158326.db2.gz ZRHOWSBHVOQMEX-RWMBFGLXSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449391926 384158334 /nfs/dbraw/zinc/15/83/34/384158334.db2.gz ZRHOWSBHVOQMEX-RWMBFGLXSA-N 2 2 242.363 0.600 20 0 BCADLP CC(C)[C@@H]([NH3+])c1cn(Cc2c[nH+]cn2C)nn1 ZINC000302438015 384175121 /nfs/dbraw/zinc/17/51/21/384175121.db2.gz WDUOSERGWCOLFH-LLVKDONJSA-N 2 2 234.307 0.716 20 0 BCADLP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449391925 384158597 /nfs/dbraw/zinc/15/85/97/384158597.db2.gz ZRHOWSBHVOQMEX-AVGNSLFASA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449391925 384158604 /nfs/dbraw/zinc/15/86/04/384158604.db2.gz ZRHOWSBHVOQMEX-AVGNSLFASA-N 2 2 242.363 0.600 20 0 BCADLP COC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449397733 384176252 /nfs/dbraw/zinc/17/62/52/384176252.db2.gz VYROPXMPTSAOPR-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP COC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449397733 384176256 /nfs/dbraw/zinc/17/62/56/384176256.db2.gz VYROPXMPTSAOPR-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+]CC[C@@H]1CCOC1 ZINC000308749596 384167575 /nfs/dbraw/zinc/16/75/75/384167575.db2.gz SXWQXRJVQVOYFM-WDEREUQCSA-N 2 2 200.326 0.953 20 0 BCADLP Cc1cc(NC(=O)[C@@]2(F)CC[NH2+]C2)cc[nH+]1 ZINC000370767529 384213151 /nfs/dbraw/zinc/21/31/51/384213151.db2.gz UZGWXEVZHTVXIG-LLVKDONJSA-N 2 2 223.251 0.452 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000082254416 384220566 /nfs/dbraw/zinc/22/05/66/384220566.db2.gz HKWZVNPEHIISAL-LPEHRKFASA-N 2 2 212.293 0.089 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000082254416 384220573 /nfs/dbraw/zinc/22/05/73/384220573.db2.gz HKWZVNPEHIISAL-LPEHRKFASA-N 2 2 212.293 0.089 20 0 BCADLP CC[N@H+](CC(=O)NCc1[nH]cc[nH+]1)C1CC1 ZINC000132365322 384228657 /nfs/dbraw/zinc/22/86/57/384228657.db2.gz CLOFMMGKWWOIOU-UHFFFAOYSA-N 2 2 222.292 0.510 20 0 BCADLP CC[N@@H+](CC(=O)NCc1[nH]cc[nH+]1)C1CC1 ZINC000132365322 384228663 /nfs/dbraw/zinc/22/86/63/384228663.db2.gz CLOFMMGKWWOIOU-UHFFFAOYSA-N 2 2 222.292 0.510 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2nccn2C)C1 ZINC000069626946 384246829 /nfs/dbraw/zinc/24/68/29/384246829.db2.gz RPRVBDYYJDTGMO-WDEREUQCSA-N 2 2 222.336 0.979 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2nccn2C)C1 ZINC000069626946 384246831 /nfs/dbraw/zinc/24/68/31/384246831.db2.gz RPRVBDYYJDTGMO-WDEREUQCSA-N 2 2 222.336 0.979 20 0 BCADLP [NH3+]C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC000132864565 384258249 /nfs/dbraw/zinc/25/82/49/384258249.db2.gz VUBGJIUUSDYKPV-SNVBAGLBSA-N 2 2 222.292 0.223 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)C1(C)C[NH2+]C1 ZINC000335538672 384315819 /nfs/dbraw/zinc/31/58/19/384315819.db2.gz PRHBDYPGVNAWSU-UHFFFAOYSA-N 2 2 205.261 0.360 20 0 BCADLP c1cn(CC[NH+]2CCC3(CC2)OCCO3)c[nH+]1 ZINC000119663063 384292679 /nfs/dbraw/zinc/29/26/79/384292679.db2.gz AUXGRARTCGAOKI-UHFFFAOYSA-N 2 2 237.303 0.722 20 0 BCADLP COC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C(C)C ZINC000083397989 384295955 /nfs/dbraw/zinc/29/59/55/384295955.db2.gz CXKSPUVQIQEAPO-WDEREUQCSA-N 2 2 200.326 0.999 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](CCc2ccccc2)CCO1 ZINC000011885926 384301515 /nfs/dbraw/zinc/30/15/15/384301515.db2.gz ZCMIJKNSDYQWOG-ZDUSSCGKSA-N 2 2 220.316 0.889 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](CCc2ccccc2)CCO1 ZINC000011885926 384301520 /nfs/dbraw/zinc/30/15/20/384301520.db2.gz ZCMIJKNSDYQWOG-ZDUSSCGKSA-N 2 2 220.316 0.889 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](CCc2ccccc2)CCO1 ZINC000011885922 384302399 /nfs/dbraw/zinc/30/23/99/384302399.db2.gz ZCMIJKNSDYQWOG-CYBMUJFWSA-N 2 2 220.316 0.889 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](CCc2ccccc2)CCO1 ZINC000011885922 384302404 /nfs/dbraw/zinc/30/24/04/384302404.db2.gz ZCMIJKNSDYQWOG-CYBMUJFWSA-N 2 2 220.316 0.889 20 0 BCADLP C[N@@H+](Cc1cnccn1)C[C@H]1CC[NH2+]C1 ZINC000095071301 384341106 /nfs/dbraw/zinc/34/11/06/384341106.db2.gz LUMFHYBXNFDBCO-JTQLQIEISA-N 2 2 206.293 0.518 20 0 BCADLP C[N@H+](Cc1cnccn1)C[C@H]1CC[NH2+]C1 ZINC000095071301 384341112 /nfs/dbraw/zinc/34/11/12/384341112.db2.gz LUMFHYBXNFDBCO-JTQLQIEISA-N 2 2 206.293 0.518 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCOC1 ZINC000120262667 384343911 /nfs/dbraw/zinc/34/39/11/384343911.db2.gz VWZVIOPCTCOETD-NSHDSACASA-N 2 2 209.293 0.994 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCOC1 ZINC000120262667 384343921 /nfs/dbraw/zinc/34/39/21/384343921.db2.gz VWZVIOPCTCOETD-NSHDSACASA-N 2 2 209.293 0.994 20 0 BCADLP C[C@@H](C[NH2+]Cc1ncc[nH]1)C[NH+]1CCOCC1 ZINC000120273521 384344081 /nfs/dbraw/zinc/34/40/81/384344081.db2.gz XWDXOYDAGMSSTL-NSHDSACASA-N 2 2 238.335 0.468 20 0 BCADLP COC(=O)CCC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000168934867 384360361 /nfs/dbraw/zinc/36/03/61/384360361.db2.gz VIRYZFIBQTZWOM-SECBINFHSA-N 2 2 200.282 0.363 20 0 BCADLP COC(=O)CCC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000168934867 384360369 /nfs/dbraw/zinc/36/03/69/384360369.db2.gz VIRYZFIBQTZWOM-SECBINFHSA-N 2 2 200.282 0.363 20 0 BCADLP C[C@H]([NH2+]Cc1c[nH+]cn1C)C(=O)N1CCCC1 ZINC000134588414 384370510 /nfs/dbraw/zinc/37/05/10/384370510.db2.gz GXCHZLGZYJRYBS-JTQLQIEISA-N 2 2 236.319 0.521 20 0 BCADLP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)nn1C ZINC000647508344 384328913 /nfs/dbraw/zinc/32/89/13/384328913.db2.gz LESAPGVXITUTLZ-MNOVXSKESA-N 2 2 222.336 0.898 20 0 BCADLP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)nn1C ZINC000647508344 384328918 /nfs/dbraw/zinc/32/89/18/384328918.db2.gz LESAPGVXITUTLZ-MNOVXSKESA-N 2 2 222.336 0.898 20 0 BCADLP CCC[NH2+][C@H](C)C(=O)NCc1[nH+]ccn1C ZINC000565537937 384426535 /nfs/dbraw/zinc/42/65/35/384426535.db2.gz NMXRMNHTUMHQJG-SECBINFHSA-N 2 2 224.308 0.424 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000335644627 384415092 /nfs/dbraw/zinc/41/50/92/384415092.db2.gz UNLKIAGJJVICRW-GXSJLCMTSA-N 2 2 208.309 0.650 20 0 BCADLP Cc1n[nH]cc1C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000335609141 384384551 /nfs/dbraw/zinc/38/45/51/384384551.db2.gz ZGFLRAYIIHNVAH-LDYMZIIASA-N 2 2 208.309 0.758 20 0 BCADLP Cc1n[nH]cc1C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000335609141 384384554 /nfs/dbraw/zinc/38/45/54/384384554.db2.gz ZGFLRAYIIHNVAH-LDYMZIIASA-N 2 2 208.309 0.758 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc3c2NCC3)CCO1 ZINC000357951913 384460103 /nfs/dbraw/zinc/46/01/03/384460103.db2.gz ZYRVXBLLCLXYQC-ZDUSSCGKSA-N 2 2 247.342 0.814 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3c2NCC3)CCO1 ZINC000357951913 384460106 /nfs/dbraw/zinc/46/01/06/384460106.db2.gz ZYRVXBLLCLXYQC-ZDUSSCGKSA-N 2 2 247.342 0.814 20 0 BCADLP c1cn(CCC[NH2+]Cc2csnn2)c[nH+]1 ZINC000036902176 384463117 /nfs/dbraw/zinc/46/31/17/384463117.db2.gz SVVADOLFEBOJJQ-UHFFFAOYSA-N 2 2 223.305 0.915 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c[nH+]1 ZINC000335013228 384476708 /nfs/dbraw/zinc/47/67/08/384476708.db2.gz APFSWGNIXCQTTE-DTWKUNHWSA-N 2 2 222.292 0.718 20 0 BCADLP [NH3+]CCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000169809312 384497760 /nfs/dbraw/zinc/49/77/60/384497760.db2.gz YICVUYZIMBJRTG-VIFPVBQESA-N 2 2 222.292 0.465 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+][C@]2(C)CCOC2)n1C ZINC000161655311 384512152 /nfs/dbraw/zinc/51/21/52/384512152.db2.gz MJLRDLXLMGEKLX-GFCCVEGCSA-N 2 2 238.335 0.755 20 0 BCADLP CC1(C)C(=O)NCC[N@H+]1CCn1cc[nH+]c1 ZINC000161626909 384511316 /nfs/dbraw/zinc/51/13/16/384511316.db2.gz JKPNOVHYAMSTKS-UHFFFAOYSA-N 2 2 222.292 0.094 20 0 BCADLP CC1(C)C(=O)NCC[N@@H+]1CCn1cc[nH+]c1 ZINC000161626909 384511318 /nfs/dbraw/zinc/51/13/18/384511318.db2.gz JKPNOVHYAMSTKS-UHFFFAOYSA-N 2 2 222.292 0.094 20 0 BCADLP Cc1nc(N(C)C[C@H]2CCC[N@@H+]2C)nc(N)[nH+]1 ZINC000302657435 384546471 /nfs/dbraw/zinc/54/64/71/384546471.db2.gz XELAARCLLQXGGQ-SECBINFHSA-N 2 2 236.323 0.293 20 0 BCADLP Cc1nc(N(C)C[C@H]2CCC[N@H+]2C)nc(N)[nH+]1 ZINC000302657435 384546477 /nfs/dbraw/zinc/54/64/77/384546477.db2.gz XELAARCLLQXGGQ-SECBINFHSA-N 2 2 236.323 0.293 20 0 BCADLP Cc1nc(N[C@H]2CC[N@@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000306076101 384568314 /nfs/dbraw/zinc/56/83/14/384568314.db2.gz GFIZAOBHQIYEHG-QMMMGPOBSA-N 2 2 234.307 0.411 20 0 BCADLP Cc1nc(N[C@H]2CC[N@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000306076101 384568318 /nfs/dbraw/zinc/56/83/18/384568318.db2.gz GFIZAOBHQIYEHG-QMMMGPOBSA-N 2 2 234.307 0.411 20 0 BCADLP CCC[C@H](C(=O)NCc1[nH]cc[nH+]1)[NH+](C)C ZINC000162102890 384571480 /nfs/dbraw/zinc/57/14/80/384571480.db2.gz QRLBSRYKGLOPQE-SECBINFHSA-N 2 2 224.308 0.756 20 0 BCADLP C[C@H](O)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000647529333 384603951 /nfs/dbraw/zinc/60/39/51/384603951.db2.gz FTSRLHFPPNLSAP-SDDRHHMPSA-N 2 2 230.352 0.192 20 0 BCADLP C[C@H](O)[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000647529333 384603955 /nfs/dbraw/zinc/60/39/55/384603955.db2.gz FTSRLHFPPNLSAP-SDDRHHMPSA-N 2 2 230.352 0.192 20 0 BCADLP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2nnc3n2CCCC3)C1 ZINC000568247998 384615075 /nfs/dbraw/zinc/61/50/75/384615075.db2.gz DBURGOYMEGCUSA-WDEREUQCSA-N 2 2 249.362 0.974 20 0 BCADLP CNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400717715 384624858 /nfs/dbraw/zinc/62/48/58/384624858.db2.gz NQHKHXLOIOCAIE-WOPDTQHZSA-N 2 2 241.379 0.877 20 0 BCADLP CNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400717710 384625787 /nfs/dbraw/zinc/62/57/87/384625787.db2.gz NQHKHXLOIOCAIE-TUAOUCFPSA-N 2 2 241.379 0.877 20 0 BCADLP O=C(NCc1c[nH+]c[nH]1)[C@H]1C[NH2+]CCC1(F)F ZINC000648154597 384593599 /nfs/dbraw/zinc/59/35/99/384593599.db2.gz OGHRPGSRKDWREB-MRVPVSSYSA-N 2 2 244.245 0.271 20 0 BCADLP O=C(NCc1c[nH]c[nH+]1)[C@H]1C[NH2+]CCC1(F)F ZINC000648154597 384593606 /nfs/dbraw/zinc/59/36/06/384593606.db2.gz OGHRPGSRKDWREB-MRVPVSSYSA-N 2 2 244.245 0.271 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cnc(N(C)C)nc1 ZINC000517956415 384595490 /nfs/dbraw/zinc/59/54/90/384595490.db2.gz PWJSDSDXWZNBRS-ZYHUDNBSSA-N 2 2 249.362 0.854 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cnc(N(C)C)nc1 ZINC000517956415 384595494 /nfs/dbraw/zinc/59/54/94/384595494.db2.gz PWJSDSDXWZNBRS-ZYHUDNBSSA-N 2 2 249.362 0.854 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnc(N(C)C)nc1 ZINC000517956409 384595631 /nfs/dbraw/zinc/59/56/31/384595631.db2.gz PWJSDSDXWZNBRS-JQWIXIFHSA-N 2 2 249.362 0.854 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnc(N(C)C)nc1 ZINC000517956409 384595638 /nfs/dbraw/zinc/59/56/38/384595638.db2.gz PWJSDSDXWZNBRS-JQWIXIFHSA-N 2 2 249.362 0.854 20 0 BCADLP C[C@H]1OCC[N@H+](CCn2cc[nH+]c2)[C@H]1C ZINC000162281434 384595987 /nfs/dbraw/zinc/59/59/87/384595987.db2.gz SPIDKFMSBCAZPH-WDEREUQCSA-N 2 2 209.293 0.992 20 0 BCADLP C[C@H]1OCC[N@@H+](CCn2cc[nH+]c2)[C@H]1C ZINC000162281434 384595991 /nfs/dbraw/zinc/59/59/91/384595991.db2.gz SPIDKFMSBCAZPH-WDEREUQCSA-N 2 2 209.293 0.992 20 0 BCADLP C[NH+]1CCC([NH2+]C[C@](C)(O)C(F)(F)F)CC1 ZINC000309779222 384602267 /nfs/dbraw/zinc/60/22/67/384602267.db2.gz QPROBSKXDLXZAB-VIFPVBQESA-N 2 2 240.269 0.984 20 0 BCADLP CO[C@H](C)CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336656650 384664384 /nfs/dbraw/zinc/66/43/84/384664384.db2.gz ORDYDTFRMMCWEL-AXFHLTTASA-N 2 2 200.326 0.951 20 0 BCADLP CO[C@H](C)CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336656650 384664391 /nfs/dbraw/zinc/66/43/91/384664391.db2.gz ORDYDTFRMMCWEL-AXFHLTTASA-N 2 2 200.326 0.951 20 0 BCADLP O=C(C1C[NH2+]C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000363668187 384666127 /nfs/dbraw/zinc/66/61/27/384666127.db2.gz CGNMVARVVOJHGN-LLVKDONJSA-N 2 2 234.303 0.094 20 0 BCADLP c1cc2c(nc[nH+]c2NCC[NH+]2CCOCC2)[nH]1 ZINC000082358971 384673167 /nfs/dbraw/zinc/67/31/67/384673167.db2.gz XMDIUTGSBCAANK-UHFFFAOYSA-N 2 2 247.302 0.702 20 0 BCADLP C[NH+](C)C1(CNC(=O)Cn2cc[nH+]c2)CCC1 ZINC000564647408 384636750 /nfs/dbraw/zinc/63/67/50/384636750.db2.gz CGMSWBUPCDYGHU-UHFFFAOYSA-N 2 2 236.319 0.484 20 0 BCADLP C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000309834253 384653788 /nfs/dbraw/zinc/65/37/88/384653788.db2.gz ZPVRRABXMGMMRU-GARJFASQSA-N 2 2 221.304 0.965 20 0 BCADLP [NH3+]CCCC(=O)NCCCCn1cc[nH+]c1 ZINC000045109206 384660737 /nfs/dbraw/zinc/66/07/37/384660737.db2.gz HEMRHEVKVHCVBE-UHFFFAOYSA-N 2 2 224.308 0.518 20 0 BCADLP COC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000335913178 384676831 /nfs/dbraw/zinc/67/68/31/384676831.db2.gz LUXOCCXWWAHKNI-MWLCHTKSSA-N 2 2 212.293 0.233 20 0 BCADLP COC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000335913178 384676835 /nfs/dbraw/zinc/67/68/35/384676835.db2.gz LUXOCCXWWAHKNI-MWLCHTKSSA-N 2 2 212.293 0.233 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000335913176 384678382 /nfs/dbraw/zinc/67/83/82/384678382.db2.gz LUXOCCXWWAHKNI-GXSJLCMTSA-N 2 2 212.293 0.233 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000335913176 384678390 /nfs/dbraw/zinc/67/83/90/384678390.db2.gz LUXOCCXWWAHKNI-GXSJLCMTSA-N 2 2 212.293 0.233 20 0 BCADLP c1cncc(CC[N@@H+]2CCC[NH2+]CC2)c1 ZINC000041214221 384699456 /nfs/dbraw/zinc/69/94/56/384699456.db2.gz OEPFXFSPBLVTKK-UHFFFAOYSA-N 2 2 205.305 0.919 20 0 BCADLP c1cncc(CC[N@H+]2CCC[NH2+]CC2)c1 ZINC000041214221 384699462 /nfs/dbraw/zinc/69/94/62/384699462.db2.gz OEPFXFSPBLVTKK-UHFFFAOYSA-N 2 2 205.305 0.919 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)CCC1OCCO1 ZINC000125262378 384707380 /nfs/dbraw/zinc/70/73/80/384707380.db2.gz LFAIFMOCWUBYSV-UHFFFAOYSA-N 2 2 239.319 0.968 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)CCC1OCCO1 ZINC000125262378 384707389 /nfs/dbraw/zinc/70/73/89/384707389.db2.gz LFAIFMOCWUBYSV-UHFFFAOYSA-N 2 2 239.319 0.968 20 0 BCADLP c1[nH]nc2cc(C[NH2+]C[C@H]3C[NH2+]CCO3)ccc12 ZINC000556963805 384707422 /nfs/dbraw/zinc/70/74/22/384707422.db2.gz JIQCOVLVHWLBCU-GFCCVEGCSA-N 2 2 246.314 0.641 20 0 BCADLP CC[N@H+](C)CC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000309914304 384709487 /nfs/dbraw/zinc/70/94/87/384709487.db2.gz OKJNNYUYXLIYSC-SNVBAGLBSA-N 2 2 227.352 0.585 20 0 BCADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000309914304 384709495 /nfs/dbraw/zinc/70/94/95/384709495.db2.gz OKJNNYUYXLIYSC-SNVBAGLBSA-N 2 2 227.352 0.585 20 0 BCADLP CCCNC(=O)C[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000315894237 384718298 /nfs/dbraw/zinc/71/82/98/384718298.db2.gz ABWSUNNLHTWHPB-SRVKXCTJSA-N 2 2 241.379 0.960 20 0 BCADLP CCCNC(=O)C[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000315894237 384718305 /nfs/dbraw/zinc/71/83/05/384718305.db2.gz ABWSUNNLHTWHPB-SRVKXCTJSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@H](C[S@@](C)=O)[N@H+](C)CCn1cc[nH+]c1 ZINC000126162324 384776735 /nfs/dbraw/zinc/77/67/35/384776735.db2.gz RBAUNTKRIAKCLR-BMIGLBTASA-N 2 2 229.349 0.582 20 0 BCADLP C[C@H](C[S@@](C)=O)[N@@H+](C)CCn1cc[nH+]c1 ZINC000126162324 384776745 /nfs/dbraw/zinc/77/67/45/384776745.db2.gz RBAUNTKRIAKCLR-BMIGLBTASA-N 2 2 229.349 0.582 20 0 BCADLP [NH3+]CC(F)(F)CN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647546934 384733220 /nfs/dbraw/zinc/73/32/20/384733220.db2.gz HSYGLADDCXFRBI-KXUCPTDWSA-N 2 2 233.306 0.558 20 0 BCADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000647547187 384737754 /nfs/dbraw/zinc/73/77/54/384737754.db2.gz QEHKQZYMGZCYFP-TUAOUCFPSA-N 3 2 211.353 0.716 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000647547125 384737880 /nfs/dbraw/zinc/73/78/80/384737880.db2.gz OHRLHLDDSJWGNA-WHOHXGKFSA-N 3 2 211.353 0.844 20 0 BCADLP COCC[NH2+]CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647547447 384739329 /nfs/dbraw/zinc/73/93/29/384739329.db2.gz WYHKKXCTJCLIRL-RWMBFGLXSA-N 3 2 241.379 0.200 20 0 BCADLP COCC[NH2+]CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647547445 384739354 /nfs/dbraw/zinc/73/93/54/384739354.db2.gz WYHKKXCTJCLIRL-FRRDWIJNSA-N 3 2 241.379 0.200 20 0 BCADLP CC[C@H](O)CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336664297 384742738 /nfs/dbraw/zinc/74/27/38/384742738.db2.gz UQKQIESQKWFGCK-GARJFASQSA-N 2 2 200.326 0.687 20 0 BCADLP CC[C@H](O)CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336664297 384742742 /nfs/dbraw/zinc/74/27/42/384742742.db2.gz UQKQIESQKWFGCK-GARJFASQSA-N 2 2 200.326 0.687 20 0 BCADLP CC(C)([NH3+])C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000647548020 384749677 /nfs/dbraw/zinc/74/96/77/384749677.db2.gz RIHFVFKMKVZUPT-SNVBAGLBSA-N 3 2 211.353 0.988 20 0 BCADLP F[C@@H]1C[NH2+][C@H](C[NH2+]CC2CC[NH2+]CC2)C1 ZINC000647547936 384750186 /nfs/dbraw/zinc/75/01/86/384750186.db2.gz MARQFORXPGZGJW-QWRGUYRKSA-N 3 2 215.316 0.276 20 0 BCADLP C1[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C12CC[NH2+]CC2 ZINC000647547873 384750200 /nfs/dbraw/zinc/75/02/00/384750200.db2.gz JURPRBZPELXCIE-GHMZBOCLSA-N 3 2 209.337 0.470 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000647552609 384761039 /nfs/dbraw/zinc/76/10/39/384761039.db2.gz LHEYNBMVNFWIKD-SNVBAGLBSA-N 2 2 235.335 0.700 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000647552609 384761043 /nfs/dbraw/zinc/76/10/43/384761043.db2.gz LHEYNBMVNFWIKD-SNVBAGLBSA-N 2 2 235.335 0.700 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000647550943 384766539 /nfs/dbraw/zinc/76/65/39/384766539.db2.gz PSXSNWFKLRHOQA-HBNTYKKESA-N 2 2 237.347 0.337 20 0 BCADLP C[N@@H+]1CCN(C(=O)C2CCCCC2)[C@@H](C[NH3+])C1 ZINC000122615545 384790086 /nfs/dbraw/zinc/79/00/86/384790086.db2.gz LLZXUJRPXYVURT-LBPRGKRZSA-N 2 2 239.363 0.668 20 0 BCADLP C[N@H+]1CCN(C(=O)C2CCCCC2)[C@@H](C[NH3+])C1 ZINC000122615545 384790089 /nfs/dbraw/zinc/79/00/89/384790089.db2.gz LLZXUJRPXYVURT-LBPRGKRZSA-N 2 2 239.363 0.668 20 0 BCADLP CCNC(=O)C[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316252468 384869770 /nfs/dbraw/zinc/86/97/70/384869770.db2.gz PCDMYGCHEVXUIV-MXWKQRLJSA-N 2 2 227.352 0.570 20 0 BCADLP CCNC(=O)C[N@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316252468 384869774 /nfs/dbraw/zinc/86/97/74/384869774.db2.gz PCDMYGCHEVXUIV-MXWKQRLJSA-N 2 2 227.352 0.570 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]C[C@@H]1C[C@@H]1C ZINC000308626048 384876709 /nfs/dbraw/zinc/87/67/09/384876709.db2.gz WINFHVFBQNTGQD-QWRGUYRKSA-N 2 2 200.326 0.546 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]C[C@@H]1C[C@@H]1C ZINC000308626048 384876712 /nfs/dbraw/zinc/87/67/12/384876712.db2.gz WINFHVFBQNTGQD-QWRGUYRKSA-N 2 2 200.326 0.546 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000308632744 384882211 /nfs/dbraw/zinc/88/22/11/384882211.db2.gz ZRXJNVNRCQVMJG-UKKRHICBSA-N 2 2 200.326 0.950 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000308632744 384882217 /nfs/dbraw/zinc/88/22/17/384882217.db2.gz ZRXJNVNRCQVMJG-UKKRHICBSA-N 2 2 200.326 0.950 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)[C@H]1CCCO1 ZINC000310105566 384843501 /nfs/dbraw/zinc/84/35/01/384843501.db2.gz PBGYUPPSTDDTIG-YNEHKIRRSA-N 2 2 241.379 0.389 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)[C@H]1CCCO1 ZINC000310105566 384843507 /nfs/dbraw/zinc/84/35/07/384843507.db2.gz PBGYUPPSTDDTIG-YNEHKIRRSA-N 2 2 241.379 0.389 20 0 BCADLP Cn1c[nH+]cc1CN1CC[NH+](CC2CC2)CC1 ZINC000177015485 384844668 /nfs/dbraw/zinc/84/46/68/384844668.db2.gz CEQBPCCMZCVYDI-UHFFFAOYSA-N 2 2 234.347 0.948 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H](CO)C1)C1CC1 ZINC000310135326 384849599 /nfs/dbraw/zinc/84/95/99/384849599.db2.gz ZDXBHLBLMRYKGX-WCQYABFASA-N 2 2 242.363 0.146 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H](CO)C1)C1CC1 ZINC000310135326 384849608 /nfs/dbraw/zinc/84/96/08/384849608.db2.gz ZDXBHLBLMRYKGX-WCQYABFASA-N 2 2 242.363 0.146 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H](CO)C1)C1CC1 ZINC000310135326 384849614 /nfs/dbraw/zinc/84/96/14/384849614.db2.gz ZDXBHLBLMRYKGX-WCQYABFASA-N 2 2 242.363 0.146 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H](CO)C1)C1CC1 ZINC000310135326 384849622 /nfs/dbraw/zinc/84/96/22/384849622.db2.gz ZDXBHLBLMRYKGX-WCQYABFASA-N 2 2 242.363 0.146 20 0 BCADLP CCNC(=O)C[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316252470 384869128 /nfs/dbraw/zinc/86/91/28/384869128.db2.gz PCDMYGCHEVXUIV-VWYCJHECSA-N 2 2 227.352 0.570 20 0 BCADLP CCNC(=O)C[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316252470 384869137 /nfs/dbraw/zinc/86/91/37/384869137.db2.gz PCDMYGCHEVXUIV-VWYCJHECSA-N 2 2 227.352 0.570 20 0 BCADLP CCOCC[C@@H](O)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000644547682 384948824 /nfs/dbraw/zinc/94/88/24/384948824.db2.gz ITDFJAJMCPRVCV-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP CCOCC[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000644547682 384948831 /nfs/dbraw/zinc/94/88/31/384948831.db2.gz ITDFJAJMCPRVCV-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP CC(C)OC[C@H](O)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000644547941 384950335 /nfs/dbraw/zinc/95/03/35/384950335.db2.gz HFNCFGYOTVIAOQ-VXGBXAGGSA-N 2 2 230.352 0.456 20 0 BCADLP CC(C)OC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000644547941 384950339 /nfs/dbraw/zinc/95/03/39/384950339.db2.gz HFNCFGYOTVIAOQ-VXGBXAGGSA-N 2 2 230.352 0.456 20 0 BCADLP CN1CCC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000644548010 384951167 /nfs/dbraw/zinc/95/11/67/384951167.db2.gz KIQWOZGGVRVEMF-AAEUAGOBSA-N 2 2 241.379 0.125 20 0 BCADLP CN1CCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000644548010 384951174 /nfs/dbraw/zinc/95/11/74/384951174.db2.gz KIQWOZGGVRVEMF-AAEUAGOBSA-N 2 2 241.379 0.125 20 0 BCADLP COc1ccccc1C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000259018746 384957290 /nfs/dbraw/zinc/95/72/90/384957290.db2.gz YEWWRCLJHBJKIQ-ZDUSSCGKSA-N 2 2 249.358 0.688 20 0 BCADLP [NH3+]CCCNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000564945548 384957740 /nfs/dbraw/zinc/95/77/40/384957740.db2.gz BAXGLAXVLWPKQG-JTQLQIEISA-N 2 2 243.257 0.430 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000310244472 384921461 /nfs/dbraw/zinc/92/14/61/384921461.db2.gz JHDHQMYPLUTEQS-VXGBXAGGSA-N 2 2 239.363 0.444 20 0 BCADLP CCCCNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000310244472 384921467 /nfs/dbraw/zinc/92/14/67/384921467.db2.gz JHDHQMYPLUTEQS-VXGBXAGGSA-N 2 2 239.363 0.444 20 0 BCADLP CNC(=O)[C@H](C)[NH2+]Cc1c[nH+]cn1C(C)C ZINC000085188218 384925953 /nfs/dbraw/zinc/92/59/53/384925953.db2.gz OEZCVFQDQRQTMI-VIFPVBQESA-N 2 2 224.308 0.688 20 0 BCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC000258795671 384943653 /nfs/dbraw/zinc/94/36/53/384943653.db2.gz AEBASXSASFKYRD-CYBMUJFWSA-N 2 2 237.322 0.819 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]CC[C@@H]1CCOC1 ZINC000309951551 384944300 /nfs/dbraw/zinc/94/43/00/384944300.db2.gz GIIMMQUNIALLGY-GFCCVEGCSA-N 2 2 230.352 0.317 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]CC[C@@H]1CCOC1 ZINC000309951551 384944306 /nfs/dbraw/zinc/94/43/06/384944306.db2.gz GIIMMQUNIALLGY-GFCCVEGCSA-N 2 2 230.352 0.317 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000081900422 384944672 /nfs/dbraw/zinc/94/46/72/384944672.db2.gz QOHDJQZERTWBHR-UWVGGRQHSA-N 2 2 245.348 0.294 20 0 BCADLP O=C(CC[C@H]1CCC[NH2+]1)NCc1[nH]cc[nH+]1 ZINC000261587294 384966601 /nfs/dbraw/zinc/96/66/01/384966601.db2.gz RQVVFLWOTNHWKP-SECBINFHSA-N 2 2 222.292 0.558 20 0 BCADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](C)O ZINC000644569415 384966498 /nfs/dbraw/zinc/96/64/98/384966498.db2.gz OFSASFPVSQLOER-WDEREUQCSA-N 2 2 200.326 0.831 20 0 BCADLP Cc1cc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)[nH]n1 ZINC000644565547 384973937 /nfs/dbraw/zinc/97/39/37/384973937.db2.gz ZYHGVGLZNKBYQH-GFCCVEGCSA-N 2 2 238.335 0.263 20 0 BCADLP Cc1cc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)[nH]n1 ZINC000644565547 384973945 /nfs/dbraw/zinc/97/39/45/384973945.db2.gz ZYHGVGLZNKBYQH-GFCCVEGCSA-N 2 2 238.335 0.263 20 0 BCADLP C[C@@H](O)C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000644583326 384981314 /nfs/dbraw/zinc/98/13/14/384981314.db2.gz NGGCDNDIOYSEHU-NXEZZACHSA-N 2 2 218.366 0.394 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCOC1 ZINC000643911061 384985693 /nfs/dbraw/zinc/98/56/93/384985693.db2.gz QMUBKIZXGIQVKF-HOSYDEDBSA-N 2 2 210.321 0.848 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCOC1 ZINC000643911061 384985701 /nfs/dbraw/zinc/98/57/01/384985701.db2.gz QMUBKIZXGIQVKF-HOSYDEDBSA-N 2 2 210.321 0.848 20 0 BCADLP C[NH+]1CC2(C1)CCN(C(=O)CCn1cc[nH+]c1)C2 ZINC000647622578 384995700 /nfs/dbraw/zinc/99/57/00/384995700.db2.gz NJGJVJSKMLIGAI-UHFFFAOYSA-N 2 2 248.330 0.437 20 0 BCADLP CO[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000310373911 385013158 /nfs/dbraw/zinc/01/31/58/385013158.db2.gz YJUCLFGBPDWQRK-CHWSQXEVSA-N 2 2 242.363 0.552 20 0 BCADLP CO[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000310373911 385013162 /nfs/dbraw/zinc/01/31/62/385013162.db2.gz YJUCLFGBPDWQRK-CHWSQXEVSA-N 2 2 242.363 0.552 20 0 BCADLP CO[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000310373911 385013166 /nfs/dbraw/zinc/01/31/66/385013166.db2.gz YJUCLFGBPDWQRK-CHWSQXEVSA-N 2 2 242.363 0.552 20 0 BCADLP CO[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000310373911 385013171 /nfs/dbraw/zinc/01/31/71/385013171.db2.gz YJUCLFGBPDWQRK-CHWSQXEVSA-N 2 2 242.363 0.552 20 0 BCADLP CC[C@H](COC)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000308742474 385049688 /nfs/dbraw/zinc/04/96/88/385049688.db2.gz PPSNIRCWDPVQPC-AXFHLTTASA-N 2 2 200.326 0.951 20 0 BCADLP CC[C@H](COC)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000308742474 385049694 /nfs/dbraw/zinc/04/96/94/385049694.db2.gz PPSNIRCWDPVQPC-AXFHLTTASA-N 2 2 200.326 0.951 20 0 BCADLP CC[C@H](COC)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000308742477 385050211 /nfs/dbraw/zinc/05/02/11/385050211.db2.gz PPSNIRCWDPVQPC-MXWKQRLJSA-N 2 2 200.326 0.951 20 0 BCADLP CC[C@H](COC)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000308742477 385050215 /nfs/dbraw/zinc/05/02/15/385050215.db2.gz PPSNIRCWDPVQPC-MXWKQRLJSA-N 2 2 200.326 0.951 20 0 BCADLP CCN(C)C(=O)[C@H](C)[NH2+]Cc1c[nH+]cn1C ZINC000188503410 385063180 /nfs/dbraw/zinc/06/31/80/385063180.db2.gz QQTBONHISYPIDV-VIFPVBQESA-N 2 2 224.308 0.377 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000165072790 385067302 /nfs/dbraw/zinc/06/73/02/385067302.db2.gz DVEKPCIZSOKXRP-NXEZZACHSA-N 2 2 224.308 0.373 20 0 BCADLP Cc1cnc([C@@H](C)[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000644659389 385068307 /nfs/dbraw/zinc/06/83/07/385068307.db2.gz JMIVZJWHWJEGGI-UTUOFQBUSA-N 2 2 232.331 0.997 20 0 BCADLP Cc1cnc([C@@H](C)[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000644659389 385068312 /nfs/dbraw/zinc/06/83/12/385068312.db2.gz JMIVZJWHWJEGGI-UTUOFQBUSA-N 2 2 232.331 0.997 20 0 BCADLP COC(=O)[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000157128237 385081597 /nfs/dbraw/zinc/08/15/97/385081597.db2.gz PDKCLRUWOLRIKJ-NSHDSACASA-N 2 2 237.303 0.911 20 0 BCADLP COC(=O)[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000157128237 385081607 /nfs/dbraw/zinc/08/16/07/385081607.db2.gz PDKCLRUWOLRIKJ-NSHDSACASA-N 2 2 237.303 0.911 20 0 BCADLP C[C@@H](C(=O)N1CCn2c[nH+]cc2C1)[NH+](C)C ZINC000644619270 385028828 /nfs/dbraw/zinc/02/88/28/385028828.db2.gz LQKSOHXIAUHZRM-VIFPVBQESA-N 2 2 222.292 0.175 20 0 BCADLP c1cn(CCn2cc([C@@H]3CCC[NH2+]C3)nn2)c[nH+]1 ZINC000404645439 385037587 /nfs/dbraw/zinc/03/75/87/385037587.db2.gz NWLRPUOBLIADML-LLVKDONJSA-N 2 2 246.318 0.642 20 0 BCADLP C[C@@H](CC(=O)N[C@@H](C[NH3+])C1CC1)n1cc[nH+]c1 ZINC000518390773 385039121 /nfs/dbraw/zinc/03/91/21/385039121.db2.gz HBDLCWRCVUQHLT-ONGXEEELSA-N 2 2 236.319 0.688 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(F)C1 ZINC000518394817 385047249 /nfs/dbraw/zinc/04/72/49/385047249.db2.gz ZNTMUWDKUYLAFU-NWDGAFQWSA-N 2 2 248.342 0.359 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(F)C1 ZINC000518394817 385047257 /nfs/dbraw/zinc/04/72/57/385047257.db2.gz ZNTMUWDKUYLAFU-NWDGAFQWSA-N 2 2 248.342 0.359 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000518394817 385047265 /nfs/dbraw/zinc/04/72/65/385047265.db2.gz ZNTMUWDKUYLAFU-NWDGAFQWSA-N 2 2 248.342 0.359 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000518394817 385047276 /nfs/dbraw/zinc/04/72/76/385047276.db2.gz ZNTMUWDKUYLAFU-NWDGAFQWSA-N 2 2 248.342 0.359 20 0 BCADLP CC(C)(CCC[NH3+])NC(=O)CCn1cc[nH+]c1 ZINC000310538862 385108434 /nfs/dbraw/zinc/10/84/34/385108434.db2.gz BNGGMTBKQMFCCO-UHFFFAOYSA-N 2 2 238.335 0.907 20 0 BCADLP OC[C@H]1[C@@H]2C[N@H+](CCCn3cc[nH+]c3)C[C@H]12 ZINC000644714694 385131089 /nfs/dbraw/zinc/13/10/89/385131089.db2.gz WLCSCCHHRCEXSP-GDNZZTSVSA-N 2 2 221.304 0.443 20 0 BCADLP OC[C@H]1[C@@H]2C[N@@H+](CCCn3cc[nH+]c3)C[C@H]12 ZINC000644714694 385131091 /nfs/dbraw/zinc/13/10/91/385131091.db2.gz WLCSCCHHRCEXSP-GDNZZTSVSA-N 2 2 221.304 0.443 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H]2CC23CC[NH2+]CC3)c[nH+]1 ZINC000647055287 385195596 /nfs/dbraw/zinc/19/55/96/385195596.db2.gz UBDVPHNJRSBCPW-JTQLQIEISA-N 2 2 234.303 0.590 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062891437 385197020 /nfs/dbraw/zinc/19/70/20/385197020.db2.gz OWMDDPWFIOMYIH-PWSUYJOCSA-N 2 2 236.319 0.387 20 0 BCADLP CC(C)(O)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000559751285 385153831 /nfs/dbraw/zinc/15/38/31/385153831.db2.gz DHNPNBWPZNCUBH-UHFFFAOYSA-N 2 2 238.335 0.693 20 0 BCADLP [NH3+]CCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479896 385155498 /nfs/dbraw/zinc/15/54/98/385155498.db2.gz XWDFMLIJJBCNGA-NEPJUHHUSA-N 3 2 211.353 0.799 20 0 BCADLP [NH3+]CCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479896 385155501 /nfs/dbraw/zinc/15/55/01/385155501.db2.gz XWDFMLIJJBCNGA-NEPJUHHUSA-N 3 2 211.353 0.799 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261645801 385157590 /nfs/dbraw/zinc/15/75/90/385157590.db2.gz DCHYMNCIEPPOCD-VHSXEESVSA-N 2 2 236.319 0.554 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)C(C)(C)C[NH3+] ZINC000062252379 385167529 /nfs/dbraw/zinc/16/75/29/385167529.db2.gz LRECEWNNXTYVPX-UHFFFAOYSA-N 2 2 224.308 0.363 20 0 BCADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCNC1=O ZINC000178205668 385207232 /nfs/dbraw/zinc/20/72/32/385207232.db2.gz OWZNLGOPBBLUIY-VXGBXAGGSA-N 2 2 239.363 0.681 20 0 BCADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCNC1=O ZINC000178205668 385207238 /nfs/dbraw/zinc/20/72/38/385207238.db2.gz OWZNLGOPBBLUIY-VXGBXAGGSA-N 2 2 239.363 0.681 20 0 BCADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCNC1=O ZINC000178205668 385207243 /nfs/dbraw/zinc/20/72/43/385207243.db2.gz OWZNLGOPBBLUIY-VXGBXAGGSA-N 2 2 239.363 0.681 20 0 BCADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCNC1=O ZINC000178205668 385207249 /nfs/dbraw/zinc/20/72/49/385207249.db2.gz OWZNLGOPBBLUIY-VXGBXAGGSA-N 2 2 239.363 0.681 20 0 BCADLP CC1(C)C[N@H+](CCCn2cc[nH+]c2)C[C@@H]1O ZINC000279865785 385218758 /nfs/dbraw/zinc/21/87/58/385218758.db2.gz SWQZSBJUGXEMMH-NSHDSACASA-N 2 2 223.320 0.976 20 0 BCADLP CC1(C)C[N@@H+](CCCn2cc[nH+]c2)C[C@@H]1O ZINC000279865785 385218765 /nfs/dbraw/zinc/21/87/65/385218765.db2.gz SWQZSBJUGXEMMH-NSHDSACASA-N 2 2 223.320 0.976 20 0 BCADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC[NH+](C)C ZINC000252716536 385227830 /nfs/dbraw/zinc/22/78/30/385227830.db2.gz YSCZKPPXZQUTQB-NWDGAFQWSA-N 3 2 213.369 0.868 20 0 BCADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC[NH+](C)C ZINC000252716536 385227838 /nfs/dbraw/zinc/22/78/38/385227838.db2.gz YSCZKPPXZQUTQB-NWDGAFQWSA-N 3 2 213.369 0.868 20 0 BCADLP CC[C@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000569111931 385233778 /nfs/dbraw/zinc/23/37/78/385233778.db2.gz FUOJJNJBEBPGNA-BDAKNGLRSA-N 2 2 209.293 0.628 20 0 BCADLP CC[C@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000569111931 385233782 /nfs/dbraw/zinc/23/37/82/385233782.db2.gz FUOJJNJBEBPGNA-BDAKNGLRSA-N 2 2 209.293 0.628 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000644730458 385257379 /nfs/dbraw/zinc/25/73/79/385257379.db2.gz VSNIGFMKXSVOSF-MNOVXSKESA-N 2 2 220.320 0.556 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000644730458 385257385 /nfs/dbraw/zinc/25/73/85/385257385.db2.gz VSNIGFMKXSVOSF-MNOVXSKESA-N 2 2 220.320 0.556 20 0 BCADLP C[C@H](C[S@](C)=O)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000308888058 385243299 /nfs/dbraw/zinc/24/32/99/385243299.db2.gz WLQRKMNZRVXMCV-OZWUEAAUSA-N 2 2 232.393 0.683 20 0 BCADLP C[C@H](C[S@](C)=O)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000308888058 385243307 /nfs/dbraw/zinc/24/33/07/385243307.db2.gz WLQRKMNZRVXMCV-OZWUEAAUSA-N 2 2 232.393 0.683 20 0 BCADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-n2cncn2)C1 ZINC000647486975 385248418 /nfs/dbraw/zinc/24/84/18/385248418.db2.gz RFXHJRNTXXYDSS-LBPRGKRZSA-N 2 2 243.314 0.800 20 0 BCADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-n2cncn2)C1 ZINC000647486975 385248425 /nfs/dbraw/zinc/24/84/25/385248425.db2.gz RFXHJRNTXXYDSS-LBPRGKRZSA-N 2 2 243.314 0.800 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](Cc2n[nH]cc2C)C1 ZINC000647493515 385315099 /nfs/dbraw/zinc/31/50/99/385315099.db2.gz ZMOFULWWBLWHBZ-SNVBAGLBSA-N 2 2 208.309 0.759 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2n[nH]cc2C)C1 ZINC000647493515 385315102 /nfs/dbraw/zinc/31/51/02/385315102.db2.gz ZMOFULWWBLWHBZ-SNVBAGLBSA-N 2 2 208.309 0.759 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](Cc2[nH]ncc2C)C1 ZINC000647493515 385315106 /nfs/dbraw/zinc/31/51/06/385315106.db2.gz ZMOFULWWBLWHBZ-SNVBAGLBSA-N 2 2 208.309 0.759 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2[nH]ncc2C)C1 ZINC000647493515 385315108 /nfs/dbraw/zinc/31/51/08/385315108.db2.gz ZMOFULWWBLWHBZ-SNVBAGLBSA-N 2 2 208.309 0.759 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC000647493504 385316367 /nfs/dbraw/zinc/31/63/67/385316367.db2.gz YLDNKHJHMSXELC-NSHDSACASA-N 2 2 222.336 0.770 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC000647493504 385316370 /nfs/dbraw/zinc/31/63/70/385316370.db2.gz YLDNKHJHMSXELC-NSHDSACASA-N 2 2 222.336 0.770 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1COCC1(C)C ZINC000313063766 385316769 /nfs/dbraw/zinc/31/67/69/385316769.db2.gz KTMHATJZCCJMQF-WOPDTQHZSA-N 2 2 242.363 0.768 20 0 BCADLP C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)C(=O)N(C)C ZINC000191731945 385322532 /nfs/dbraw/zinc/32/25/32/385322532.db2.gz BQVRLGKJTNTYPH-JTQLQIEISA-N 2 2 246.314 0.901 20 0 BCADLP COc1cc[nH+]c(N2CC[NH+](CCO)CC2)c1 ZINC000177707821 385273223 /nfs/dbraw/zinc/27/32/23/385273223.db2.gz MIAJXTKYXLHTDM-UHFFFAOYSA-N 2 2 237.303 0.205 20 0 BCADLP C[N@H+]1C[C@H]2[C@@H](CCN2CCn2cc[nH+]c2)C1 ZINC000644732154 385276705 /nfs/dbraw/zinc/27/67/05/385276705.db2.gz HKAXVWRIXZJULG-RYUDHWBXSA-N 2 2 220.320 0.519 20 0 BCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2CCn2cc[nH+]c2)C1 ZINC000644732154 385276710 /nfs/dbraw/zinc/27/67/10/385276710.db2.gz HKAXVWRIXZJULG-RYUDHWBXSA-N 2 2 220.320 0.519 20 0 BCADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1cocn1 ZINC000647492636 385302037 /nfs/dbraw/zinc/30/20/37/385302037.db2.gz OXQVUMKVNOVUAE-UHFFFAOYSA-N 2 2 224.308 0.012 20 0 BCADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cocn1 ZINC000647492636 385302039 /nfs/dbraw/zinc/30/20/39/385302039.db2.gz OXQVUMKVNOVUAE-UHFFFAOYSA-N 2 2 224.308 0.012 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000192100030 385344163 /nfs/dbraw/zinc/34/41/63/385344163.db2.gz PGYBTHAQZFBGMK-HBNTYKKESA-N 2 2 238.335 0.619 20 0 BCADLP Cc1nn(C)cc1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000335358409 385347390 /nfs/dbraw/zinc/34/73/90/385347390.db2.gz PIHMBZHSTGQPRA-JQWIXIFHSA-N 2 2 222.336 0.959 20 0 BCADLP CN(CC[N@H+](C)C1CC1)Cc1c[nH+]c[nH]1 ZINC000193387252 385394873 /nfs/dbraw/zinc/39/48/73/385394873.db2.gz JICXQIHPFGJVIN-UHFFFAOYSA-N 2 2 208.309 0.936 20 0 BCADLP CN(CC[N@@H+](C)C1CC1)Cc1c[nH+]c[nH]1 ZINC000193387252 385394877 /nfs/dbraw/zinc/39/48/77/385394877.db2.gz JICXQIHPFGJVIN-UHFFFAOYSA-N 2 2 208.309 0.936 20 0 BCADLP CN(CC[N@H+](C)C1CC1)Cc1c[nH]c[nH+]1 ZINC000193387252 385394878 /nfs/dbraw/zinc/39/48/78/385394878.db2.gz JICXQIHPFGJVIN-UHFFFAOYSA-N 2 2 208.309 0.936 20 0 BCADLP CC(C)[C@@](C)(CO)[NH2+]CCn1cc[nH+]c1 ZINC000309082470 385402364 /nfs/dbraw/zinc/40/23/64/385402364.db2.gz RUDWGSZKVCNJDM-LLVKDONJSA-N 2 2 211.309 0.880 20 0 BCADLP Cn1ncnc1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000405242049 385403155 /nfs/dbraw/zinc/40/31/55/385403155.db2.gz WRRYKLLDHYPXNZ-HTQZYQBOSA-N 2 2 209.297 0.031 20 0 BCADLP CC[C@H](C)[C@H](O)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000309092603 385413833 /nfs/dbraw/zinc/41/38/33/385413833.db2.gz CRABQJVUWZLJJT-WHOHXGKFSA-N 2 2 214.353 0.933 20 0 BCADLP CC[C@H](C)[C@H](O)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000309092603 385413837 /nfs/dbraw/zinc/41/38/37/385413837.db2.gz CRABQJVUWZLJJT-WHOHXGKFSA-N 2 2 214.353 0.933 20 0 BCADLP CC[C@H](C)[C@H](O)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000309092600 385414403 /nfs/dbraw/zinc/41/44/03/385414403.db2.gz CRABQJVUWZLJJT-FIQHERPVSA-N 2 2 214.353 0.933 20 0 BCADLP CC[C@H](C)[C@H](O)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000309092600 385414408 /nfs/dbraw/zinc/41/44/08/385414408.db2.gz CRABQJVUWZLJJT-FIQHERPVSA-N 2 2 214.353 0.933 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCOC1 ZINC000165909248 385421270 /nfs/dbraw/zinc/42/12/70/385421270.db2.gz QMUBKIZXGIQVKF-FOGDFJRCSA-N 2 2 210.321 0.848 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCOC1 ZINC000165909248 385421273 /nfs/dbraw/zinc/42/12/73/385421273.db2.gz QMUBKIZXGIQVKF-FOGDFJRCSA-N 2 2 210.321 0.848 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492763881 385426467 /nfs/dbraw/zinc/42/64/67/385426467.db2.gz JQGPVWQCFWROKD-WQMVXFAESA-N 2 2 248.330 0.974 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492763881 385426468 /nfs/dbraw/zinc/42/64/68/385426468.db2.gz JQGPVWQCFWROKD-WQMVXFAESA-N 2 2 248.330 0.974 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000405271864 385438640 /nfs/dbraw/zinc/43/86/40/385438640.db2.gz VGFOSZFMHIWRNV-VHSXEESVSA-N 2 2 236.319 0.886 20 0 BCADLP C[NH+](C)CC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000170751149 385442475 /nfs/dbraw/zinc/44/24/75/385442475.db2.gz APWXNXGLGFBQSX-UHFFFAOYSA-N 2 2 246.314 0.555 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+](C)Cc1cccnc1)C1CC1 ZINC000289428474 385444064 /nfs/dbraw/zinc/44/40/64/385444064.db2.gz XIHHHFPRBXRSGP-AWEZNQCLSA-N 2 2 249.358 0.969 20 0 BCADLP C[NH+](Cc1cccnc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000289428474 385444068 /nfs/dbraw/zinc/44/40/68/385444068.db2.gz XIHHHFPRBXRSGP-AWEZNQCLSA-N 2 2 249.358 0.969 20 0 BCADLP C[NH+](Cc1cccnc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289428474 385444071 /nfs/dbraw/zinc/44/40/71/385444071.db2.gz XIHHHFPRBXRSGP-AWEZNQCLSA-N 2 2 249.358 0.969 20 0 BCADLP COC(=O)C[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000179475329 385467668 /nfs/dbraw/zinc/46/76/68/385467668.db2.gz DBWLEFWHZYAFAU-NSHDSACASA-N 2 2 237.303 0.911 20 0 BCADLP COC(=O)C[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000179475329 385467673 /nfs/dbraw/zinc/46/76/73/385467673.db2.gz DBWLEFWHZYAFAU-NSHDSACASA-N 2 2 237.303 0.911 20 0 BCADLP CC[C@H](CO)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000309250267 385499449 /nfs/dbraw/zinc/49/94/49/385499449.db2.gz ZZXFHHUQKVPMRW-CKYFFXLPSA-N 2 2 212.337 0.830 20 0 BCADLP CC[C@H](CO)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000309250267 385499452 /nfs/dbraw/zinc/49/94/52/385499452.db2.gz ZZXFHHUQKVPMRW-CKYFFXLPSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000157979421 385540788 /nfs/dbraw/zinc/54/07/88/385540788.db2.gz WJKZWHAEYKBMEE-VHSXEESVSA-N 2 2 234.303 0.124 20 0 BCADLP C[C@@H]1C[NH2+][C@@H](C)CN1c1nc[nH+]c(N)c1Cl ZINC000643023163 385519292 /nfs/dbraw/zinc/51/92/92/385519292.db2.gz ZMIRGMKXWHRXHO-NKWVEPMBSA-N 2 2 241.726 0.899 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC000643045971 385553297 /nfs/dbraw/zinc/55/32/97/385553297.db2.gz UQLOMLPBEXSNDL-RKDXNWHRSA-N 2 2 235.335 0.612 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000643045971 385553298 /nfs/dbraw/zinc/55/32/98/385553298.db2.gz UQLOMLPBEXSNDL-RKDXNWHRSA-N 2 2 235.335 0.612 20 0 BCADLP CC[C@](C)(O)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336650466 385604895 /nfs/dbraw/zinc/60/48/95/385604895.db2.gz IQHFAFCQEUGRMY-VWYCJHECSA-N 2 2 200.326 0.687 20 0 BCADLP CC[C@](C)(O)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336650466 385604899 /nfs/dbraw/zinc/60/48/99/385604899.db2.gz IQHFAFCQEUGRMY-VWYCJHECSA-N 2 2 200.326 0.687 20 0 BCADLP C[C@@]1(C(N)=O)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000280812500 385606845 /nfs/dbraw/zinc/60/68/45/385606845.db2.gz UCGGZZUOMQTOEM-GFCCVEGCSA-N 2 2 236.319 0.471 20 0 BCADLP C[C@@]1(C(N)=O)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000280812500 385606851 /nfs/dbraw/zinc/60/68/51/385606851.db2.gz UCGGZZUOMQTOEM-GFCCVEGCSA-N 2 2 236.319 0.471 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280882440 385615336 /nfs/dbraw/zinc/61/53/36/385615336.db2.gz PHKOEYIEKMTSLW-ZWNOBZJWSA-N 2 2 248.330 0.426 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCCS(C)(=O)=O)C1 ZINC000082645525 385626948 /nfs/dbraw/zinc/62/69/48/385626948.db2.gz VEVWMAYOXYJYQG-GHMZBOCLSA-N 2 2 248.392 0.480 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCCS(C)(=O)=O)C1 ZINC000082645525 385626949 /nfs/dbraw/zinc/62/69/49/385626949.db2.gz VEVWMAYOXYJYQG-GHMZBOCLSA-N 2 2 248.392 0.480 20 0 BCADLP CC[NH+](CC)CCC[N@@H+]1CCNC(=O)C[C@H]1C ZINC000365192870 385634310 /nfs/dbraw/zinc/63/43/10/385634310.db2.gz SYBBMBXKYORZLO-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP CC[NH+](CC)CCC[N@H+]1CCNC(=O)C[C@H]1C ZINC000365192870 385634316 /nfs/dbraw/zinc/63/43/16/385634316.db2.gz SYBBMBXKYORZLO-GFCCVEGCSA-N 2 2 241.379 0.929 20 0 BCADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)C(C)(C)n1cncn1 ZINC000281133099 385638171 /nfs/dbraw/zinc/63/81/71/385638171.db2.gz YNKQWHKKLJVVCL-LLVKDONJSA-N 2 2 248.334 0.888 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc2oc(=O)n(C)c2c1 ZINC000260077582 385665746 /nfs/dbraw/zinc/66/57/46/385665746.db2.gz NQKDSXSMZDTKDS-SECBINFHSA-N 2 2 249.314 0.911 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc2oc(=O)n(C)c2c1 ZINC000260077582 385665749 /nfs/dbraw/zinc/66/57/49/385665749.db2.gz NQKDSXSMZDTKDS-SECBINFHSA-N 2 2 249.314 0.911 20 0 BCADLP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)o1 ZINC000309522897 385660823 /nfs/dbraw/zinc/66/08/23/385660823.db2.gz CHFJUFBVKPGQMN-GFCCVEGCSA-N 2 2 224.304 0.744 20 0 BCADLP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)o1 ZINC000309522897 385660828 /nfs/dbraw/zinc/66/08/28/385660828.db2.gz CHFJUFBVKPGQMN-GFCCVEGCSA-N 2 2 224.304 0.744 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]C1CCCC1 ZINC000184549430 385676482 /nfs/dbraw/zinc/67/64/82/385676482.db2.gz FKMHZPFMJNRSJF-UHFFFAOYSA-N 2 2 200.326 0.833 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]C1CCCC1 ZINC000184549430 385676486 /nfs/dbraw/zinc/67/64/86/385676486.db2.gz FKMHZPFMJNRSJF-UHFFFAOYSA-N 2 2 200.326 0.833 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000309544242 385680108 /nfs/dbraw/zinc/68/01/08/385680108.db2.gz GMQNFUIJKKGHJK-MXWKQRLJSA-N 2 2 223.324 0.206 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000309544242 385680113 /nfs/dbraw/zinc/68/01/13/385680113.db2.gz GMQNFUIJKKGHJK-MXWKQRLJSA-N 2 2 223.324 0.206 20 0 BCADLP CC[NH+](CC)CC(=O)Nc1cc[nH+]cc1O ZINC000337484262 385682225 /nfs/dbraw/zinc/68/22/25/385682225.db2.gz YDYRMJINMXYYEN-UHFFFAOYSA-N 2 2 223.276 0.489 20 0 BCADLP Cc1nc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)nc(N)[nH+]1 ZINC000310958577 385703553 /nfs/dbraw/zinc/70/35/53/385703553.db2.gz NNZMSFKXFVZSJW-GFCCVEGCSA-N 2 2 248.334 0.294 20 0 BCADLP Cc1nc(N)nc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)[nH+]1 ZINC000310958577 385703563 /nfs/dbraw/zinc/70/35/63/385703563.db2.gz NNZMSFKXFVZSJW-GFCCVEGCSA-N 2 2 248.334 0.294 20 0 BCADLP Cc1nc(N)nc(N2CC[C@@]3(CC[N@H+](C)C3)C2)[nH+]1 ZINC000310958577 385703568 /nfs/dbraw/zinc/70/35/68/385703568.db2.gz NNZMSFKXFVZSJW-GFCCVEGCSA-N 2 2 248.334 0.294 20 0 BCADLP COC[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000182795979 385706596 /nfs/dbraw/zinc/70/65/96/385706596.db2.gz QJNHIEYDKZULQE-LBPRGKRZSA-N 2 2 239.319 0.620 20 0 BCADLP COC[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000182795979 385706604 /nfs/dbraw/zinc/70/66/04/385706604.db2.gz QJNHIEYDKZULQE-LBPRGKRZSA-N 2 2 239.319 0.620 20 0 BCADLP C[C@@H](Cn1cccn1)[NH2+]CCn1cc[nH+]c1 ZINC000122678719 385714847 /nfs/dbraw/zinc/71/48/47/385714847.db2.gz OEHNMYDIWPKDIL-NSHDSACASA-N 2 2 219.292 0.758 20 0 BCADLP CC(C)C[C@@H](C[NH3+])[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414856756 385716472 /nfs/dbraw/zinc/71/64/72/385716472.db2.gz ZLBDXJJYSBGFDQ-RYUDHWBXSA-N 3 2 213.369 0.949 20 0 BCADLP CC[NH+]1CCN(CCn2cc[nH+]c2C)CC1 ZINC000270668638 385727798 /nfs/dbraw/zinc/72/77/98/385727798.db2.gz QPIDOTBOUDAUAC-UHFFFAOYSA-N 2 2 222.336 0.829 20 0 BCADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N(C)C)CC1 ZINC000337641440 385731770 /nfs/dbraw/zinc/73/17/70/385731770.db2.gz FYIPVCZNOQVJNE-UHFFFAOYSA-N 2 2 241.379 0.879 20 0 BCADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N(C)C)CC1 ZINC000337641440 385731773 /nfs/dbraw/zinc/73/17/73/385731773.db2.gz FYIPVCZNOQVJNE-UHFFFAOYSA-N 2 2 241.379 0.879 20 0 BCADLP CC[N@@H+]1CC[C@H](NCc2[nH+]cc(C)n2C)C1 ZINC000414558444 385771643 /nfs/dbraw/zinc/77/16/43/385771643.db2.gz YZRUEQWZNFVINA-NSHDSACASA-N 2 2 222.336 0.912 20 0 BCADLP CC[N@H+]1CC[C@H](NCc2[nH+]cc(C)n2C)C1 ZINC000414558444 385771651 /nfs/dbraw/zinc/77/16/51/385771651.db2.gz YZRUEQWZNFVINA-NSHDSACASA-N 2 2 222.336 0.912 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)C1CC1 ZINC000186578841 385772926 /nfs/dbraw/zinc/77/29/26/385772926.db2.gz RNKAHPQCNXSERI-JTQLQIEISA-N 2 2 200.326 0.689 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)C1CC1 ZINC000186578841 385772930 /nfs/dbraw/zinc/77/29/30/385772930.db2.gz RNKAHPQCNXSERI-JTQLQIEISA-N 2 2 200.326 0.689 20 0 BCADLP COC[C@H](O)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000282615910 385774915 /nfs/dbraw/zinc/77/49/15/385774915.db2.gz JEFFMARAOQSIAW-LLVKDONJSA-N 2 2 235.287 0.431 20 0 BCADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)CC(N)=O ZINC000336691206 385727278 /nfs/dbraw/zinc/72/72/78/385727278.db2.gz PNWXIPWQGJDPKP-SECBINFHSA-N 2 2 201.314 0.180 20 0 BCADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)CC(N)=O ZINC000336691206 385727284 /nfs/dbraw/zinc/72/72/84/385727284.db2.gz PNWXIPWQGJDPKP-SECBINFHSA-N 2 2 201.314 0.180 20 0 BCADLP COc1cc2c(cc1C[NH2+][C@@H](C)C[NH3+])OCO2 ZINC000414949211 385812305 /nfs/dbraw/zinc/81/23/05/385812305.db2.gz ZDRZJOZSFACCFG-QMMMGPOBSA-N 2 2 238.287 0.861 20 0 BCADLP CC(=O)CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000307734560 385827764 /nfs/dbraw/zinc/82/77/64/385827764.db2.gz VRBHLNRNANFXKT-GFCCVEGCSA-N 2 2 210.321 0.993 20 0 BCADLP CC(=O)CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000307734560 385827770 /nfs/dbraw/zinc/82/77/70/385827770.db2.gz VRBHLNRNANFXKT-GFCCVEGCSA-N 2 2 210.321 0.993 20 0 BCADLP CC(=O)CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000307734560 385827773 /nfs/dbraw/zinc/82/77/73/385827773.db2.gz VRBHLNRNANFXKT-GFCCVEGCSA-N 2 2 210.321 0.993 20 0 BCADLP CC(=O)CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000307734560 385827775 /nfs/dbraw/zinc/82/77/75/385827775.db2.gz VRBHLNRNANFXKT-GFCCVEGCSA-N 2 2 210.321 0.993 20 0 BCADLP C[NH2+][C@H](C)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000261805103 385828742 /nfs/dbraw/zinc/82/87/42/385828742.db2.gz SDUYUPDVDJKLGX-SNVBAGLBSA-N 2 2 246.314 0.601 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000414953946 385835353 /nfs/dbraw/zinc/83/53/53/385835353.db2.gz MHTUJKCNTAPFRB-SRVKXCTJSA-N 3 2 211.353 0.716 20 0 BCADLP Cc1ccn2cc(CNC(=O)[C@H](C)C[NH3+])[nH+]c2c1 ZINC000262409555 385843819 /nfs/dbraw/zinc/84/38/19/385843819.db2.gz QJPYXFBUVONZFH-SNVBAGLBSA-N 2 2 246.314 0.854 20 0 BCADLP C[NH+](C)CCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284053638 385847346 /nfs/dbraw/zinc/84/73/46/385847346.db2.gz QQTDLYQFQVQDEB-AATRIKPKSA-N 2 2 236.319 0.881 20 0 BCADLP CC[N@H+](C)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284032455 385847893 /nfs/dbraw/zinc/84/78/93/385847893.db2.gz PIOVQCSJMNDQKS-SNAWJCMRSA-N 2 2 222.292 0.491 20 0 BCADLP CC[N@@H+](C)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284032455 385847898 /nfs/dbraw/zinc/84/78/98/385847898.db2.gz PIOVQCSJMNDQKS-SNAWJCMRSA-N 2 2 222.292 0.491 20 0 BCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccncc1F ZINC000340479030 385895067 /nfs/dbraw/zinc/89/50/67/385895067.db2.gz UFZKWJMPINGOAT-NXEZZACHSA-N 2 2 241.310 0.794 20 0 BCADLP Cc1noc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000122299602 385897796 /nfs/dbraw/zinc/89/77/96/385897796.db2.gz FFEVPVVVVKKDQP-IONNQARKSA-N 2 2 210.281 0.547 20 0 BCADLP Cc1noc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000122299602 385897804 /nfs/dbraw/zinc/89/78/04/385897804.db2.gz FFEVPVVVVKKDQP-IONNQARKSA-N 2 2 210.281 0.547 20 0 BCADLP Cc1noc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000122299337 385897869 /nfs/dbraw/zinc/89/78/69/385897869.db2.gz FFEVPVVVVKKDQP-CBAPKCEASA-N 2 2 210.281 0.547 20 0 BCADLP Cc1noc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000122299337 385897872 /nfs/dbraw/zinc/89/78/72/385897872.db2.gz FFEVPVVVVKKDQP-CBAPKCEASA-N 2 2 210.281 0.547 20 0 BCADLP C[C@@H]1CCC[N@H+](Cc2ccn(C)c(=O)c2)[C@@H]1C[NH3+] ZINC000647846928 385906620 /nfs/dbraw/zinc/90/66/20/385906620.db2.gz MNXDLGMQHOXBBQ-DGCLKSJQSA-N 2 2 249.358 0.945 20 0 BCADLP C[C@@H]1CCC[N@@H+](Cc2ccn(C)c(=O)c2)[C@@H]1C[NH3+] ZINC000647846928 385906624 /nfs/dbraw/zinc/90/66/24/385906624.db2.gz MNXDLGMQHOXBBQ-DGCLKSJQSA-N 2 2 249.358 0.945 20 0 BCADLP C[C@H]([NH2+][C@@H]1CCCCNC1=O)[C@@H]1CCC[NH2+]1 ZINC000333258113 385907433 /nfs/dbraw/zinc/90/74/33/385907433.db2.gz IJAROIIXPXHEOG-GARJFASQSA-N 2 2 225.336 0.385 20 0 BCADLP C[C@@H]1CCC[N@H+](Cc2ccn(C)c(=O)c2)[C@H]1C[NH3+] ZINC000647846930 385907564 /nfs/dbraw/zinc/90/75/64/385907564.db2.gz MNXDLGMQHOXBBQ-YPMHNXCESA-N 2 2 249.358 0.945 20 0 BCADLP C[C@@H]1CCC[N@@H+](Cc2ccn(C)c(=O)c2)[C@H]1C[NH3+] ZINC000647846930 385907567 /nfs/dbraw/zinc/90/75/67/385907567.db2.gz MNXDLGMQHOXBBQ-YPMHNXCESA-N 2 2 249.358 0.945 20 0 BCADLP CC[C@H](CCO)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336767885 385930069 /nfs/dbraw/zinc/93/00/69/385930069.db2.gz SVSHPZLBCXAYSI-TUAOUCFPSA-N 2 2 214.353 0.935 20 0 BCADLP CC[C@H](CCO)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336767885 385930071 /nfs/dbraw/zinc/93/00/71/385930071.db2.gz SVSHPZLBCXAYSI-TUAOUCFPSA-N 2 2 214.353 0.935 20 0 BCADLP CCNC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815224 385868591 /nfs/dbraw/zinc/86/85/91/385868591.db2.gz VDWBAQCIGLABHS-UHFFFAOYSA-N 2 2 225.336 0.339 20 0 BCADLP CCNC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815224 385868596 /nfs/dbraw/zinc/86/85/96/385868596.db2.gz VDWBAQCIGLABHS-UHFFFAOYSA-N 2 2 225.336 0.339 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414959670 385869230 /nfs/dbraw/zinc/86/92/30/385869230.db2.gz TZALJKVKBFJRHS-QJPTWQEYSA-N 3 2 211.353 0.859 20 0 BCADLP CC[C@@H](Cn1cncn1)[NH2+]CC[NH+]1CCCC1 ZINC000340471593 385873782 /nfs/dbraw/zinc/87/37/82/385873782.db2.gz DFSMFECJBDZHLE-LBPRGKRZSA-N 2 2 237.351 0.742 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000335041465 385934184 /nfs/dbraw/zinc/93/41/84/385934184.db2.gz ICLAEQBFZMGTJL-DGCLKSJQSA-N 3 2 223.364 0.836 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335041465 385934191 /nfs/dbraw/zinc/93/41/91/385934191.db2.gz ICLAEQBFZMGTJL-DGCLKSJQSA-N 3 2 223.364 0.836 20 0 BCADLP C[C@@H]1C[N@H+](CCN2CCC(C)([NH3+])CC2)CCO1 ZINC000647924119 385940946 /nfs/dbraw/zinc/94/09/46/385940946.db2.gz GXURDHOEQZMMGM-GFCCVEGCSA-N 2 2 241.379 0.520 20 0 BCADLP C[C@@H]1C[N@@H+](CCN2CCC(C)([NH3+])CC2)CCO1 ZINC000647924119 385940950 /nfs/dbraw/zinc/94/09/50/385940950.db2.gz GXURDHOEQZMMGM-GFCCVEGCSA-N 2 2 241.379 0.520 20 0 BCADLP C[C@@H](C[NH+](C)C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC000286229318 386012056 /nfs/dbraw/zinc/01/20/56/386012056.db2.gz BCHCXVWNRAQRRA-JTQLQIEISA-N 2 2 249.362 0.827 20 0 BCADLP C[C@@H](C[NH+](C)C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000286229318 386012060 /nfs/dbraw/zinc/01/20/60/386012060.db2.gz BCHCXVWNRAQRRA-JTQLQIEISA-N 2 2 249.362 0.827 20 0 BCADLP COCC[NH2+]CC[NH2+]Cc1cccc(O)c1 ZINC000414883887 386035185 /nfs/dbraw/zinc/03/51/85/386035185.db2.gz MZBPAUIFNBFHSY-UHFFFAOYSA-N 2 2 224.304 0.718 20 0 BCADLP CC(C)[C@@H](C(=O)NCCc1[nH]cc[nH+]1)[NH+](C)C ZINC000345186609 386054003 /nfs/dbraw/zinc/05/40/03/386054003.db2.gz CYDYOYKGVMTHRS-NSHDSACASA-N 2 2 238.335 0.655 20 0 BCADLP CC[C@H](COC)[NH2+]CC[NH2+]CCOC ZINC000414888381 386102986 /nfs/dbraw/zinc/10/29/86/386102986.db2.gz RMTVVWFJWVYSSH-SNVBAGLBSA-N 2 2 204.314 0.237 20 0 BCADLP NC(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000037980069 386108435 /nfs/dbraw/zinc/10/84/35/386108435.db2.gz UTTAKTOFLVPYKR-UHFFFAOYSA-N 2 2 234.303 0.443 20 0 BCADLP COCC[NH2+]CC[NH2+]C1Cc2ccccc2C1 ZINC000414889422 386112212 /nfs/dbraw/zinc/11/22/12/386112212.db2.gz SSIUXTHNSKWTLC-UHFFFAOYSA-N 2 2 234.343 0.979 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)CCC(N)=O ZINC000286638375 386060597 /nfs/dbraw/zinc/06/05/97/386060597.db2.gz YRJDDTLLUWERKB-UHFFFAOYSA-N 2 2 210.281 0.080 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)CCC(N)=O ZINC000286638375 386060603 /nfs/dbraw/zinc/06/06/03/386060603.db2.gz YRJDDTLLUWERKB-UHFFFAOYSA-N 2 2 210.281 0.080 20 0 BCADLP Cc1cc(NC(=O)NCCC[NH3+])cc[nH+]1 ZINC000415373103 386066620 /nfs/dbraw/zinc/06/66/20/386066620.db2.gz BQPSBOPNPOOVFR-UHFFFAOYSA-N 2 2 208.265 0.282 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)NCC(F)(F)C[NH3+] ZINC000415382114 386068110 /nfs/dbraw/zinc/06/81/10/386068110.db2.gz JPICYZYZEMAGLO-UHFFFAOYSA-N 2 2 244.245 0.527 20 0 BCADLP C[NH2+]C[C@H](C)CNC(=O)Nc1cc[nH+]cc1C ZINC000415384086 386068359 /nfs/dbraw/zinc/06/83/59/386068359.db2.gz MJVPYFROMBKNMY-VIFPVBQESA-N 2 2 236.319 0.789 20 0 BCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1c[nH+]cn1C ZINC000335946479 386073332 /nfs/dbraw/zinc/07/33/32/386073332.db2.gz SMOJESAACRWMLQ-GHMZBOCLSA-N 2 2 222.336 0.945 20 0 BCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1c[nH+]cn1C ZINC000335946479 386073341 /nfs/dbraw/zinc/07/33/41/386073341.db2.gz SMOJESAACRWMLQ-GHMZBOCLSA-N 2 2 222.336 0.945 20 0 BCADLP Cc1cc(NC(=O)N[C@@H](C[NH3+])C2CC2)cc[nH+]1 ZINC000415395186 386073754 /nfs/dbraw/zinc/07/37/54/386073754.db2.gz MEEFWPZZOKOGMB-NSHDSACASA-N 2 2 234.303 0.671 20 0 BCADLP C[C@H](C[NH3+])NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000274406037 386100023 /nfs/dbraw/zinc/10/00/23/386100023.db2.gz HTLYQHQVYQBJRC-SECBINFHSA-N 2 2 245.286 0.344 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000414676064 386149649 /nfs/dbraw/zinc/14/96/49/386149649.db2.gz HDPLFSQOUOFGFU-RYUDHWBXSA-N 2 2 241.379 0.912 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000414676064 386149655 /nfs/dbraw/zinc/14/96/55/386149655.db2.gz HDPLFSQOUOFGFU-RYUDHWBXSA-N 2 2 241.379 0.912 20 0 BCADLP COC(=O)[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414676130 386150170 /nfs/dbraw/zinc/15/01/70/386150170.db2.gz MYIYWQICXHXEQO-MNOVXSKESA-N 2 2 228.336 0.855 20 0 BCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414676130 386150173 /nfs/dbraw/zinc/15/01/73/386150173.db2.gz MYIYWQICXHXEQO-MNOVXSKESA-N 2 2 228.336 0.855 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000414677132 386151783 /nfs/dbraw/zinc/15/17/83/386151783.db2.gz WCZHBKCKFMXKPY-NXEZZACHSA-N 2 2 213.325 0.310 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1C(N)=O ZINC000414677132 386151786 /nfs/dbraw/zinc/15/17/86/386151786.db2.gz WCZHBKCKFMXKPY-NXEZZACHSA-N 2 2 213.325 0.310 20 0 BCADLP C[NH2+]Cc1cn(Cc2c[nH+]ccc2OC)nn1 ZINC000310274891 386172942 /nfs/dbraw/zinc/17/29/42/386172942.db2.gz JHNAYYXXLNAHRA-UHFFFAOYSA-N 2 2 233.275 0.449 20 0 BCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCC([NH+](C)C)CC1 ZINC000338937413 386182629 /nfs/dbraw/zinc/18/26/29/386182629.db2.gz FTFOUULQPBRQNJ-SNVBAGLBSA-N 2 2 239.363 0.680 20 0 BCADLP C[NH+](C)CC(=O)NCc1cn2ccccc2[nH+]1 ZINC000263838634 386182999 /nfs/dbraw/zinc/18/29/99/386182999.db2.gz HLEBKXUSWOBHFR-UHFFFAOYSA-N 2 2 232.287 0.512 20 0 BCADLP C[C@H]1C[N@H+](Cc2cnc3cnccn23)CC[C@H]1[NH3+] ZINC000347054496 386206292 /nfs/dbraw/zinc/20/62/92/386206292.db2.gz SWVYZBOFWXVHLS-CMPLNLGQSA-N 2 2 245.330 0.898 20 0 BCADLP C[C@H]1C[N@@H+](Cc2cnc3cnccn23)CC[C@H]1[NH3+] ZINC000347054496 386206299 /nfs/dbraw/zinc/20/62/99/386206299.db2.gz SWVYZBOFWXVHLS-CMPLNLGQSA-N 2 2 245.330 0.898 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)CCNC(=O)N(C)C ZINC000414703246 386211459 /nfs/dbraw/zinc/21/14/59/386211459.db2.gz IQKWCNYHCABLJG-LLVKDONJSA-N 2 2 244.383 0.563 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)CCNC(=O)N(C)C ZINC000414703246 386211463 /nfs/dbraw/zinc/21/14/63/386211463.db2.gz IQKWCNYHCABLJG-LLVKDONJSA-N 2 2 244.383 0.563 20 0 BCADLP C[NH+]1CCC([N@H+](CCO)Cc2cccnc2)CC1 ZINC000264371032 386229011 /nfs/dbraw/zinc/22/90/11/386229011.db2.gz MOQSFMMZONOVGD-UHFFFAOYSA-N 2 2 249.358 0.970 20 0 BCADLP C[N@H+](CCC[NH3+])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000414714427 386232903 /nfs/dbraw/zinc/23/29/03/386232903.db2.gz VQWYSIQZBPHBFW-QWRGUYRKSA-N 2 2 248.392 0.623 20 0 BCADLP C[N@@H+](CCC[NH3+])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000414714427 386232906 /nfs/dbraw/zinc/23/29/06/386232906.db2.gz VQWYSIQZBPHBFW-QWRGUYRKSA-N 2 2 248.392 0.623 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NC1C[NH+](C(C)C)C1 ZINC000297226403 386236267 /nfs/dbraw/zinc/23/62/67/386236267.db2.gz YAQKKIKDACNBMR-UHFFFAOYSA-N 2 2 236.319 0.469 20 0 BCADLP CNC(=O)c1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000347123313 386236770 /nfs/dbraw/zinc/23/67/70/386236770.db2.gz XDRZHVHDPKHGFO-ZDUSSCGKSA-N 2 2 247.342 0.969 20 0 BCADLP CNC(=O)c1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000347123313 386236772 /nfs/dbraw/zinc/23/67/72/386236772.db2.gz XDRZHVHDPKHGFO-ZDUSSCGKSA-N 2 2 247.342 0.969 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cnc(N(C)C)nc2)C1 ZINC000347106102 386252227 /nfs/dbraw/zinc/25/22/27/386252227.db2.gz NYIYEGWQNCHMCK-LLVKDONJSA-N 2 2 249.362 0.584 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cnc(N(C)C)nc2)C1 ZINC000347106102 386252229 /nfs/dbraw/zinc/25/22/29/386252229.db2.gz NYIYEGWQNCHMCK-LLVKDONJSA-N 2 2 249.362 0.584 20 0 BCADLP C[N@H+](C[C@H]1CCCO1)C1CC[NH+](CCO)CC1 ZINC000338970899 386192566 /nfs/dbraw/zinc/19/25/66/386192566.db2.gz BTEKNFPDLWBAKU-CYBMUJFWSA-N 2 2 242.363 0.554 20 0 BCADLP C[N@@H+](C[C@H]1CCCO1)C1CC[NH+](CCO)CC1 ZINC000338970899 386192570 /nfs/dbraw/zinc/19/25/70/386192570.db2.gz BTEKNFPDLWBAKU-CYBMUJFWSA-N 2 2 242.363 0.554 20 0 BCADLP COC[C@@H](O)C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000338995324 386199285 /nfs/dbraw/zinc/19/92/85/386199285.db2.gz GNLHBKBZRFPBBB-ZDUSSCGKSA-N 2 2 238.331 0.920 20 0 BCADLP C[C@H]([NH3+])C[N@H+](CCO)CCc1ccccc1 ZINC000647885755 386281506 /nfs/dbraw/zinc/28/15/06/386281506.db2.gz MPLMLFPSHDSDIK-LBPRGKRZSA-N 2 2 222.332 0.871 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](CCO)CCc1ccccc1 ZINC000647885755 386281512 /nfs/dbraw/zinc/28/15/12/386281512.db2.gz MPLMLFPSHDSDIK-LBPRGKRZSA-N 2 2 222.332 0.871 20 0 BCADLP CC[N@H+](C[C@H]1CC[NH2+]C1)[C@H](C)CS(C)(=O)=O ZINC000647885803 386285421 /nfs/dbraw/zinc/28/54/21/386285421.db2.gz SODJLIGDJCLTBP-MNOVXSKESA-N 2 2 248.392 0.351 20 0 BCADLP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)CS(C)(=O)=O ZINC000647885803 386285426 /nfs/dbraw/zinc/28/54/26/386285426.db2.gz SODJLIGDJCLTBP-MNOVXSKESA-N 2 2 248.392 0.351 20 0 BCADLP CC[N@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)CS(C)(=O)=O ZINC000647885804 386286110 /nfs/dbraw/zinc/28/61/10/386286110.db2.gz SODJLIGDJCLTBP-QWRGUYRKSA-N 2 2 248.392 0.351 20 0 BCADLP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)CS(C)(=O)=O ZINC000647885804 386286111 /nfs/dbraw/zinc/28/61/11/386286111.db2.gz SODJLIGDJCLTBP-QWRGUYRKSA-N 2 2 248.392 0.351 20 0 BCADLP C[C@H](O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000336664221 386287858 /nfs/dbraw/zinc/28/78/58/386287858.db2.gz ZWDCIQSSWUQVPF-CMPLNLGQSA-N 2 2 222.288 0.916 20 0 BCADLP C[C@H](O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000336664221 386287861 /nfs/dbraw/zinc/28/78/61/386287861.db2.gz ZWDCIQSSWUQVPF-CMPLNLGQSA-N 2 2 222.288 0.916 20 0 BCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CCn3cc[nH+]c3)C2)C1 ZINC000334509273 386308879 /nfs/dbraw/zinc/30/88/79/386308879.db2.gz CUCAULVICFWBHQ-CYBMUJFWSA-N 3 2 234.347 0.911 20 0 BCADLP C[N@H+]1CC[C@@]2(CC[NH+](CCn3cc[nH+]c3)C2)C1 ZINC000334509273 386308885 /nfs/dbraw/zinc/30/88/85/386308885.db2.gz CUCAULVICFWBHQ-CYBMUJFWSA-N 3 2 234.347 0.911 20 0 BCADLP C[NH+]1CC[C@@]2(CC[N@H+](CCn3cc[nH+]c3)C2)C1 ZINC000334509273 386308891 /nfs/dbraw/zinc/30/88/91/386308891.db2.gz CUCAULVICFWBHQ-CYBMUJFWSA-N 3 2 234.347 0.911 20 0 BCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CCn3cc[nH+]c3)C2)C1 ZINC000334509273 386308896 /nfs/dbraw/zinc/30/88/96/386308896.db2.gz CUCAULVICFWBHQ-CYBMUJFWSA-N 3 2 234.347 0.911 20 0 BCADLP CCC(=O)N1CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000425521027 386323150 /nfs/dbraw/zinc/32/31/50/386323150.db2.gz SDADWMORSTUTHJ-UHFFFAOYSA-N 2 2 236.319 0.703 20 0 BCADLP CCC(=O)N1CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000425521027 386323154 /nfs/dbraw/zinc/32/31/54/386323154.db2.gz SDADWMORSTUTHJ-UHFFFAOYSA-N 2 2 236.319 0.703 20 0 BCADLP COC[C@H](O)C[NH2+]CCCc1c[nH+]ccc1C ZINC000289523915 386323438 /nfs/dbraw/zinc/32/34/38/386323438.db2.gz DVWKAJUHVOIDKQ-CYBMUJFWSA-N 2 2 238.331 0.920 20 0 BCADLP C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647885718 386277342 /nfs/dbraw/zinc/27/73/42/386277342.db2.gz JBGXYZYKRASAMB-OUAUKWLOSA-N 2 2 248.392 0.349 20 0 BCADLP C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647885718 386277346 /nfs/dbraw/zinc/27/73/46/386277346.db2.gz JBGXYZYKRASAMB-OUAUKWLOSA-N 2 2 248.392 0.349 20 0 BCADLP CSCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336661469 386279829 /nfs/dbraw/zinc/27/98/29/386279829.db2.gz BSMNBMQAUFAGRV-UHFFFAOYSA-N 2 2 240.376 0.890 20 0 BCADLP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H]1CC[NH2+]C1 ZINC000335279043 386349688 /nfs/dbraw/zinc/34/96/88/386349688.db2.gz OSOIDVQKMKJLOR-BDAKNGLRSA-N 3 2 219.279 0.183 20 0 BCADLP C([NH2+][C@@H]1CCCSC1)[C@@H]1C[NH2+]CCO1 ZINC000335268292 386351469 /nfs/dbraw/zinc/35/14/69/386351469.db2.gz OVYUWXIUAFPJPZ-ZJUUUORDSA-N 2 2 216.350 0.460 20 0 BCADLP Cn1cccc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000265622475 386352130 /nfs/dbraw/zinc/35/21/30/386352130.db2.gz ABZHMMYSGYWFGL-CYBMUJFWSA-N 2 2 237.347 0.571 20 0 BCADLP C[NH+](C)[C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000336691473 386360900 /nfs/dbraw/zinc/36/09/00/386360900.db2.gz IGKNFHVLVARDSI-CYBMUJFWSA-N 2 2 241.379 0.345 20 0 BCADLP Cc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)nn1C ZINC000414906785 386372355 /nfs/dbraw/zinc/37/23/55/386372355.db2.gz PHZLXXMNODGFIP-LLVKDONJSA-N 2 2 222.336 0.960 20 0 BCADLP C[NH+](C)C[C@@H]1C[N@H+](C[C@H]2CCCOC2)CCO1 ZINC000336696126 386375224 /nfs/dbraw/zinc/37/52/24/386375224.db2.gz JTTPYSNPGKYDDW-CHWSQXEVSA-N 2 2 242.363 0.675 20 0 BCADLP C[NH+](C)C[C@@H]1C[N@@H+](C[C@H]2CCCOC2)CCO1 ZINC000336696126 386375230 /nfs/dbraw/zinc/37/52/30/386375230.db2.gz JTTPYSNPGKYDDW-CHWSQXEVSA-N 2 2 242.363 0.675 20 0 BCADLP c1cn(CC[NH2+]CC2=CCCOC2)c[nH+]1 ZINC000336774885 386375891 /nfs/dbraw/zinc/37/58/91/386375891.db2.gz ZYXPDVJWXGXNHI-UHFFFAOYSA-N 2 2 207.277 0.819 20 0 BCADLP [NH3+]C1(CNC(=O)CCn2cc[nH+]c2)CCC1 ZINC000230065470 386327314 /nfs/dbraw/zinc/32/73/14/386327314.db2.gz LCEAATCAYHUCJS-UHFFFAOYSA-N 2 2 222.292 0.271 20 0 BCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(OC)C1 ZINC000347340385 386335652 /nfs/dbraw/zinc/33/56/52/386335652.db2.gz ODRLDNNJRVBECZ-OTTFEQOBSA-N 2 2 242.363 0.864 20 0 BCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C1CC(OC)C1 ZINC000347340385 386335658 /nfs/dbraw/zinc/33/56/58/386335658.db2.gz ODRLDNNJRVBECZ-OTTFEQOBSA-N 2 2 242.363 0.864 20 0 BCADLP C[C@@H](O)CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336712105 386436710 /nfs/dbraw/zinc/43/67/10/386436710.db2.gz NSVIFZLPMBMBMN-LLVKDONJSA-N 2 2 238.335 0.298 20 0 BCADLP CC(C)[N@H+](C)CC(=O)NCCCn1cc[nH+]c1 ZINC000299298224 386436829 /nfs/dbraw/zinc/43/68/29/386436829.db2.gz ACMXMDJYLHQZLP-UHFFFAOYSA-N 2 2 238.335 0.730 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)NCCCn1cc[nH+]c1 ZINC000299298224 386436839 /nfs/dbraw/zinc/43/68/39/386436839.db2.gz ACMXMDJYLHQZLP-UHFFFAOYSA-N 2 2 238.335 0.730 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@H+](CCc2c[nH]nn2)C1 ZINC000647970927 386442558 /nfs/dbraw/zinc/44/25/58/386442558.db2.gz LTNKJZOTHLZYFW-SNVBAGLBSA-N 2 2 223.324 0.231 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@@H+](CCc2c[nH]nn2)C1 ZINC000647970927 386442566 /nfs/dbraw/zinc/44/25/66/386442566.db2.gz LTNKJZOTHLZYFW-SNVBAGLBSA-N 2 2 223.324 0.231 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@@H+](CCc2cn[nH]n2)C1 ZINC000647970927 386442578 /nfs/dbraw/zinc/44/25/78/386442578.db2.gz LTNKJZOTHLZYFW-SNVBAGLBSA-N 2 2 223.324 0.231 20 0 BCADLP C[NH+](C)C[C@@H]1C[N@H+](CC2CCOCC2)CCO1 ZINC000336719568 386449659 /nfs/dbraw/zinc/44/96/59/386449659.db2.gz XXAQMCJQPJJZRY-CYBMUJFWSA-N 2 2 242.363 0.675 20 0 BCADLP C[NH+](C)C[C@@H]1C[N@@H+](CC2CCOCC2)CCO1 ZINC000336719568 386449665 /nfs/dbraw/zinc/44/96/65/386449665.db2.gz XXAQMCJQPJJZRY-CYBMUJFWSA-N 2 2 242.363 0.675 20 0 BCADLP C[C@@H](O)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336703806 386389916 /nfs/dbraw/zinc/38/99/16/386389916.db2.gz BYCQIQXLGCNQFZ-CHWSQXEVSA-N 2 2 242.363 0.411 20 0 BCADLP C[C@@H](O)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336703806 386389921 /nfs/dbraw/zinc/38/99/21/386389921.db2.gz BYCQIQXLGCNQFZ-CHWSQXEVSA-N 2 2 242.363 0.411 20 0 BCADLP C[C@@H]1C[C@@H](C[N@H+](CCO)CC(F)F)CC[NH2+]1 ZINC000414757632 386402855 /nfs/dbraw/zinc/40/28/55/386402855.db2.gz SXRZNQPGNWJTDB-ZJUUUORDSA-N 2 2 236.306 0.934 20 0 BCADLP C[C@@H]1C[C@@H](C[N@@H+](CCO)CC(F)F)CC[NH2+]1 ZINC000414757632 386402857 /nfs/dbraw/zinc/40/28/57/386402857.db2.gz SXRZNQPGNWJTDB-ZJUUUORDSA-N 2 2 236.306 0.934 20 0 BCADLP Cn1c[nH+]cc1CC[NH+]1CCC(CO)CC1 ZINC000290189938 386404497 /nfs/dbraw/zinc/40/44/97/386404497.db2.gz ZZROJPHXLKDBJR-UHFFFAOYSA-N 2 2 223.320 0.667 20 0 BCADLP C[C@H]([NH3+])C[N@H+](CCO)CCOCC(F)(F)F ZINC000442659581 386409191 /nfs/dbraw/zinc/40/91/91/386409191.db2.gz LDILEZMQMIYRCO-QMMMGPOBSA-N 2 2 244.257 0.207 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](CCO)CCOCC(F)(F)F ZINC000442659581 386409194 /nfs/dbraw/zinc/40/91/94/386409194.db2.gz LDILEZMQMIYRCO-QMMMGPOBSA-N 2 2 244.257 0.207 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](CCO)CCOCC(F)(F)F ZINC000442659578 386409258 /nfs/dbraw/zinc/40/92/58/386409258.db2.gz LDILEZMQMIYRCO-MRVPVSSYSA-N 2 2 244.257 0.207 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](CCO)CCOCC(F)(F)F ZINC000442659578 386409261 /nfs/dbraw/zinc/40/92/61/386409261.db2.gz LDILEZMQMIYRCO-MRVPVSSYSA-N 2 2 244.257 0.207 20 0 BCADLP C[NH+](C)C[C@H]1C[N@H+](CC2CCOCC2)CCO1 ZINC000336719569 386451797 /nfs/dbraw/zinc/45/17/97/386451797.db2.gz XXAQMCJQPJJZRY-ZDUSSCGKSA-N 2 2 242.363 0.675 20 0 BCADLP C[NH+](C)C[C@H]1C[N@@H+](CC2CCOCC2)CCO1 ZINC000336719569 386451801 /nfs/dbraw/zinc/45/18/01/386451801.db2.gz XXAQMCJQPJJZRY-ZDUSSCGKSA-N 2 2 242.363 0.675 20 0 BCADLP Cc1noc([C@H]2CCC[N@@H+](C[C@@H](C)[NH3+])C2)n1 ZINC000442659504 386412473 /nfs/dbraw/zinc/41/24/73/386412473.db2.gz BSNUGIBHRLLZLS-SCZZXKLOSA-N 2 2 224.308 0.905 20 0 BCADLP Cc1noc([C@H]2CCC[N@H+](C[C@@H](C)[NH3+])C2)n1 ZINC000442659504 386412476 /nfs/dbraw/zinc/41/24/76/386412476.db2.gz BSNUGIBHRLLZLS-SCZZXKLOSA-N 2 2 224.308 0.905 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)CCn1cc[nH+]c1 ZINC000299568470 386466905 /nfs/dbraw/zinc/46/69/05/386466905.db2.gz HLFZNBCPMHBLKH-UHFFFAOYSA-N 2 2 247.302 0.665 20 0 BCADLP Cn1ncnc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000336736966 386474481 /nfs/dbraw/zinc/47/44/81/386474481.db2.gz ZFLQBQHRWZZAOO-UHFFFAOYSA-N 2 2 246.318 0.918 20 0 BCADLP CC[NH+](CC)CC(=O)NCc1[nH]c[nH+]c1C ZINC000267090280 386495753 /nfs/dbraw/zinc/49/57/53/386495753.db2.gz LWMMPUHJZUVBBO-UHFFFAOYSA-N 2 2 224.308 0.676 20 0 BCADLP CN(Cc1[nH+]ccn1C)C[C@H]1CCC[NH2+]C1 ZINC000062252262 386507943 /nfs/dbraw/zinc/50/79/43/386507943.db2.gz SMLVQZUGSIIJEP-NSHDSACASA-N 2 2 222.336 0.852 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CO[C@@H](C)C2)n1C ZINC000519639773 386514146 /nfs/dbraw/zinc/51/41/46/386514146.db2.gz BGKXGHZIFMRTOL-WPRPVWTQSA-N 2 2 209.293 0.996 20 0 BCADLP Cc1cn[nH]c1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000335448310 386517996 /nfs/dbraw/zinc/51/79/96/386517996.db2.gz MNTKLOFFIMRYKX-UWVGGRQHSA-N 2 2 208.309 0.887 20 0 BCADLP CNC(=O)NC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000335449199 386518164 /nfs/dbraw/zinc/51/81/64/386518164.db2.gz XZDOQVVZFNCYNF-UHFFFAOYSA-N 2 2 228.340 0.117 20 0 BCADLP CC1(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C[NH2+]C1 ZINC000335452136 386525129 /nfs/dbraw/zinc/52/51/29/386525129.db2.gz GLRNDZXYLYPSGW-UHFFFAOYSA-N 2 2 248.330 0.725 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CNc3ccnn3C2)C1 ZINC000648043832 386525521 /nfs/dbraw/zinc/52/55/21/386525521.db2.gz ISRIPMYCURAOFO-RYUDHWBXSA-N 2 2 249.362 0.609 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CNc3ccnn3C2)C1 ZINC000648043832 386525524 /nfs/dbraw/zinc/52/55/24/386525524.db2.gz ISRIPMYCURAOFO-RYUDHWBXSA-N 2 2 249.362 0.609 20 0 BCADLP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336754860 386526357 /nfs/dbraw/zinc/52/63/57/386526357.db2.gz IOKNXBFNTBESND-FIQHERPVSA-N 2 2 214.353 0.933 20 0 BCADLP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336754860 386526365 /nfs/dbraw/zinc/52/63/65/386526365.db2.gz IOKNXBFNTBESND-FIQHERPVSA-N 2 2 214.353 0.933 20 0 BCADLP CC(C)C(=O)NCCC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000339503380 386454366 /nfs/dbraw/zinc/45/43/66/386454366.db2.gz AKAHBQHRYGIEDE-VXGBXAGGSA-N 2 2 241.379 0.688 20 0 BCADLP CC(C)C(=O)NCCC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000339503380 386454371 /nfs/dbraw/zinc/45/43/71/386454371.db2.gz AKAHBQHRYGIEDE-VXGBXAGGSA-N 2 2 241.379 0.688 20 0 BCADLP Cc1ccc2[nH+]c(CNC(=O)NCC[NH3+])cn2c1 ZINC000417198304 386462235 /nfs/dbraw/zinc/46/22/35/386462235.db2.gz VRXJBVQPMLHTAS-UHFFFAOYSA-N 2 2 247.302 0.401 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC000415076684 386575989 /nfs/dbraw/zinc/57/59/89/386575989.db2.gz DIDPBNKMYMGYSH-VXGBXAGGSA-N 2 2 241.379 0.959 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000278758756 386578145 /nfs/dbraw/zinc/57/81/45/386578145.db2.gz SWRDVPATQWMUHA-NSHDSACASA-N 2 2 248.330 0.663 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000278758756 386578153 /nfs/dbraw/zinc/57/81/53/386578153.db2.gz SWRDVPATQWMUHA-NSHDSACASA-N 2 2 248.330 0.663 20 0 BCADLP O=c1[nH]c2ccccc2n1CC[NH2+][C@@H]1CC[NH2+]C1 ZINC000415077367 386578413 /nfs/dbraw/zinc/57/84/13/386578413.db2.gz DVPYZVKRVQHSJK-SNVBAGLBSA-N 2 2 246.314 0.693 20 0 BCADLP CN(Cc1[nH+]ccn1C)CC(C)(C)C[NH3+] ZINC000062322957 386579548 /nfs/dbraw/zinc/57/95/48/386579548.db2.gz NWELQQMSAQAYPT-UHFFFAOYSA-N 2 2 210.325 0.837 20 0 BCADLP O=C1CN(CCCNc2cccc[nH+]2)CCN1 ZINC000278841749 386593410 /nfs/dbraw/zinc/59/34/10/386593410.db2.gz WDTRLKRBZDXAQF-UHFFFAOYSA-N 2 2 234.303 0.315 20 0 BCADLP O=C1C[N@H+](CCCNc2cccc[nH+]2)CCN1 ZINC000278841749 386593421 /nfs/dbraw/zinc/59/34/21/386593421.db2.gz WDTRLKRBZDXAQF-UHFFFAOYSA-N 2 2 234.303 0.315 20 0 BCADLP O=C1C[N@@H+](CCCNc2cccc[nH+]2)CCN1 ZINC000278841749 386593426 /nfs/dbraw/zinc/59/34/26/386593426.db2.gz WDTRLKRBZDXAQF-UHFFFAOYSA-N 2 2 234.303 0.315 20 0 BCADLP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415045628 386531138 /nfs/dbraw/zinc/53/11/38/386531138.db2.gz WHGKMEZEAWHTJZ-MSRIBSCDSA-N 2 2 248.374 0.852 20 0 BCADLP Cn1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1=O ZINC000647974559 386546368 /nfs/dbraw/zinc/54/63/68/386546368.db2.gz LBRYESQNKRGXAY-CHWSQXEVSA-N 2 2 247.342 0.569 20 0 BCADLP Cn1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1=O ZINC000647974559 386546370 /nfs/dbraw/zinc/54/63/70/386546370.db2.gz LBRYESQNKRGXAY-CHWSQXEVSA-N 2 2 247.342 0.569 20 0 BCADLP Cc1ccc(F)c(C[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000415066553 386547806 /nfs/dbraw/zinc/54/78/06/386547806.db2.gz JHOSEFMXQKBRKF-NSHDSACASA-N 2 2 226.295 0.886 20 0 BCADLP Cc1ccc(F)c(C[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000415066553 386547811 /nfs/dbraw/zinc/54/78/11/386547811.db2.gz JHOSEFMXQKBRKF-NSHDSACASA-N 2 2 226.295 0.886 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCNc2cnccn2)n1C ZINC000519782428 386549922 /nfs/dbraw/zinc/54/99/22/386549922.db2.gz VSERLNIHHPEGAP-UHFFFAOYSA-N 2 2 246.318 0.720 20 0 BCADLP Cc1nn(C)cc1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414793005 386559831 /nfs/dbraw/zinc/55/98/31/386559831.db2.gz JONQLCOCBRHATO-LLVKDONJSA-N 2 2 210.325 0.801 20 0 BCADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@H](C)N1CCOCC1 ZINC000415073171 386560115 /nfs/dbraw/zinc/56/01/15/386560115.db2.gz AQIVJARETZMBHJ-AVGNSLFASA-N 2 2 241.379 0.437 20 0 BCADLP C[C@H](N[C@H]1CCC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000415073171 386560124 /nfs/dbraw/zinc/56/01/24/386560124.db2.gz AQIVJARETZMBHJ-AVGNSLFASA-N 2 2 241.379 0.437 20 0 BCADLP COC(=O)c1cc(C[NH2+][C@@H](C[NH3+])C2CC2)c[nH]1 ZINC000414793070 386565369 /nfs/dbraw/zinc/56/53/69/386565369.db2.gz CZJHPPPBLMGBIS-NSHDSACASA-N 2 2 237.303 0.628 20 0 BCADLP CC(C)C[C@H]([NH3+])C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414795113 386571739 /nfs/dbraw/zinc/57/17/39/386571739.db2.gz MMKAHDWCGQIHJE-QWRGUYRKSA-N 3 2 201.358 0.933 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH+](C)CC1 ZINC000279180822 386643519 /nfs/dbraw/zinc/64/35/19/386643519.db2.gz IFRCLOCYJJRBCF-UHFFFAOYSA-N 2 2 222.292 0.035 20 0 BCADLP Cn1nncc1C[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000329261555 386643937 /nfs/dbraw/zinc/64/39/37/386643937.db2.gz FVCVVYGTNDNYOZ-SNVBAGLBSA-N 2 2 246.318 0.679 20 0 BCADLP C[N@H+](CCC[NH+]1CCCC1)[C@H]1CCCNC1=O ZINC000337194142 386645027 /nfs/dbraw/zinc/64/50/27/386645027.db2.gz AAYLNHFEJLUVAW-LBPRGKRZSA-N 2 2 239.363 0.683 20 0 BCADLP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCCNC1=O ZINC000337194142 386645035 /nfs/dbraw/zinc/64/50/35/386645035.db2.gz AAYLNHFEJLUVAW-LBPRGKRZSA-N 2 2 239.363 0.683 20 0 BCADLP CC(C)[C@H](C(=O)NCc1[nH+]ccn1C)[NH+](C)C ZINC000268417492 386652816 /nfs/dbraw/zinc/65/28/16/386652816.db2.gz VWBUYBXKQWUKFK-LLVKDONJSA-N 2 2 238.335 0.623 20 0 BCADLP COCC(C)(C)C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415099799 386608720 /nfs/dbraw/zinc/60/87/20/386608720.db2.gz ZNKVBQJTXUTQBK-SNVBAGLBSA-N 2 2 216.325 0.237 20 0 BCADLP CCCC[C@@H](COC)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415091446 386610806 /nfs/dbraw/zinc/61/08/06/386610806.db2.gz CPXIVZKUXDMMSB-NWDGAFQWSA-N 2 2 230.352 0.770 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CC[NH+](C)C ZINC000278967441 386612774 /nfs/dbraw/zinc/61/27/74/386612774.db2.gz XFGMUJHNKVSQMT-SECBINFHSA-N 2 2 238.335 0.717 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H](C)CC[NH+](C)C ZINC000278967441 386612779 /nfs/dbraw/zinc/61/27/79/386612779.db2.gz XFGMUJHNKVSQMT-SECBINFHSA-N 2 2 238.335 0.717 20 0 BCADLP Oc1cc(F)cc(C[NH2+]C[C@H]2C[NH2+]CCO2)c1 ZINC000415095673 386614981 /nfs/dbraw/zinc/61/49/81/386614981.db2.gz NNJOOALEOPPPGJ-GFCCVEGCSA-N 2 2 240.278 0.609 20 0 BCADLP CO[C@@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425331285 386665745 /nfs/dbraw/zinc/66/57/45/386665745.db2.gz CINOBSKRANUUES-LLVKDONJSA-N 2 2 238.335 0.707 20 0 BCADLP CO[C@@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425331285 386665750 /nfs/dbraw/zinc/66/57/50/386665750.db2.gz CINOBSKRANUUES-LLVKDONJSA-N 2 2 238.335 0.707 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC000329419234 386668380 /nfs/dbraw/zinc/66/83/80/386668380.db2.gz GXGQSZPTIJHGNA-JTQLQIEISA-N 2 2 246.318 0.538 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC000329419234 386668383 /nfs/dbraw/zinc/66/83/83/386668383.db2.gz GXGQSZPTIJHGNA-JTQLQIEISA-N 2 2 246.318 0.538 20 0 BCADLP CC(C)[C@@H]([NH3+])C(=O)N(C)CCCn1cc[nH+]c1 ZINC000292523321 386684829 /nfs/dbraw/zinc/68/48/29/386684829.db2.gz QSINZKOALAAWKR-LLVKDONJSA-N 2 2 238.335 0.715 20 0 BCADLP CC[N@H+](CC[NH2+][C@H](C)CC(N)=O)C1CC1 ZINC000336759900 386693301 /nfs/dbraw/zinc/69/33/01/386693301.db2.gz LFZDLMBDMJVQLD-SECBINFHSA-N 2 2 213.325 0.324 20 0 BCADLP CC[N@@H+](CC[NH2+][C@H](C)CC(N)=O)C1CC1 ZINC000336759900 386693308 /nfs/dbraw/zinc/69/33/08/386693308.db2.gz LFZDLMBDMJVQLD-SECBINFHSA-N 2 2 213.325 0.324 20 0 BCADLP CC[N@H+](CC[NH2+][C@@H](C)CC(N)=O)C1CC1 ZINC000336759903 386694379 /nfs/dbraw/zinc/69/43/79/386694379.db2.gz LFZDLMBDMJVQLD-VIFPVBQESA-N 2 2 213.325 0.324 20 0 BCADLP CC[N@@H+](CC[NH2+][C@@H](C)CC(N)=O)C1CC1 ZINC000336759903 386694386 /nfs/dbraw/zinc/69/43/86/386694386.db2.gz LFZDLMBDMJVQLD-VIFPVBQESA-N 2 2 213.325 0.324 20 0 BCADLP C[NH2+]CC[NH2+][C@H](C)Cc1cccc(OC)n1 ZINC000414837410 386735962 /nfs/dbraw/zinc/73/59/62/386735962.db2.gz XBZVALBQNZGWRP-SNVBAGLBSA-N 2 2 223.320 0.830 20 0 BCADLP C[NH2+]CC[NH2+][C@H](C)CC(=O)N1CCCCCC1 ZINC000414833549 386713129 /nfs/dbraw/zinc/71/31/29/386713129.db2.gz SMMUYSYKCCHJGD-GFCCVEGCSA-N 2 2 241.379 0.977 20 0 BCADLP CC(C)([NH3+])CC(=O)NCCNc1cccc[nH+]1 ZINC000645331197 386727714 /nfs/dbraw/zinc/72/77/14/386727714.db2.gz BHXSLSGGIYUWLE-UHFFFAOYSA-N 2 2 236.319 0.737 20 0 BCADLP CCCC[N@H+](CC(N)=O)C[C@@]1(C)CC[NH2+]C1 ZINC000340706349 386746174 /nfs/dbraw/zinc/74/61/74/386746174.db2.gz HOGDYKDVONWNES-LBPRGKRZSA-N 2 2 227.352 0.573 20 0 BCADLP CCCC[N@@H+](CC(N)=O)C[C@@]1(C)CC[NH2+]C1 ZINC000340706349 386746176 /nfs/dbraw/zinc/74/61/76/386746176.db2.gz HOGDYKDVONWNES-LBPRGKRZSA-N 2 2 227.352 0.573 20 0 BCADLP CCC[C@H](C(=O)NCc1c[nH+]c[nH]1)[NH+](C)C ZINC000330519476 386747945 /nfs/dbraw/zinc/74/79/45/386747945.db2.gz HAPQXIMGOZCYGO-SNVBAGLBSA-N 2 2 224.308 0.756 20 0 BCADLP CCC[C@H](C(=O)NCc1c[nH]c[nH+]1)[NH+](C)C ZINC000330519476 386747948 /nfs/dbraw/zinc/74/79/48/386747948.db2.gz HAPQXIMGOZCYGO-SNVBAGLBSA-N 2 2 224.308 0.756 20 0 BCADLP C[NH2+][C@@H]1CCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000269113442 386754876 /nfs/dbraw/zinc/75/48/76/386754876.db2.gz GANSDBGLVYQCPA-LLVKDONJSA-N 2 2 244.298 0.768 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]Cc1cnccc1C ZINC000279930746 386756555 /nfs/dbraw/zinc/75/65/55/386756555.db2.gz NKBVABCBQKQXGB-UHFFFAOYSA-N 2 2 237.347 0.794 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]Cc1cnccc1C ZINC000279930746 386756559 /nfs/dbraw/zinc/75/65/59/386756559.db2.gz NKBVABCBQKQXGB-UHFFFAOYSA-N 2 2 237.347 0.794 20 0 BCADLP CCNC(=O)C(C)(C)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000344846848 386761673 /nfs/dbraw/zinc/76/16/73/386761673.db2.gz FYRWUEVWKMMRMA-QWRGUYRKSA-N 2 2 241.379 0.688 20 0 BCADLP CCNC(=O)C(C)(C)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000344846848 386761675 /nfs/dbraw/zinc/76/16/75/386761675.db2.gz FYRWUEVWKMMRMA-QWRGUYRKSA-N 2 2 241.379 0.688 20 0 BCADLP CC[C@H]([NH3+])C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000269237783 386765153 /nfs/dbraw/zinc/76/51/53/386765153.db2.gz HRQGTNDAIFIXSF-JTQLQIEISA-N 2 2 236.319 0.573 20 0 BCADLP CC[C@@H](C)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000357356382 386766442 /nfs/dbraw/zinc/76/64/42/386766442.db2.gz PTIXXANEUSIQEA-NEPJUHHUSA-N 2 2 241.379 0.962 20 0 BCADLP CC[C@@H](C)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000357356382 386766447 /nfs/dbraw/zinc/76/64/47/386766447.db2.gz PTIXXANEUSIQEA-NEPJUHHUSA-N 2 2 241.379 0.962 20 0 BCADLP O=C1NCC[C@H]1[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269253530 386766275 /nfs/dbraw/zinc/76/62/75/386766275.db2.gz CLUQFIWGGAKRNJ-NXEZZACHSA-N 2 2 234.303 0.478 20 0 BCADLP O=C1NCC[C@H]1[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269253530 386766279 /nfs/dbraw/zinc/76/62/79/386766279.db2.gz CLUQFIWGGAKRNJ-NXEZZACHSA-N 2 2 234.303 0.478 20 0 BCADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)C(=O)NCCF ZINC000336743999 386790078 /nfs/dbraw/zinc/79/00/78/386790078.db2.gz PUABGKWDLXHBRB-VIFPVBQESA-N 2 2 231.315 0.144 20 0 BCADLP Cc1cccn2c(C[NH2+][C@H](C)CC(N)=O)c[nH+]c12 ZINC000344908259 386799468 /nfs/dbraw/zinc/79/94/68/386799468.db2.gz YYJUUVXOULYVTH-SNVBAGLBSA-N 2 2 246.314 0.996 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H](O)C1CCC1 ZINC000316798945 259698251 /nfs/dbraw/zinc/69/82/51/259698251.db2.gz RUOVTJQELVEJMK-WXHSDQCUSA-N 2 2 242.363 0.504 20 0 BCADLP CCOc1cccc(C[NH2+][C@@H](C)C[NH3+])n1 ZINC000414937632 386835329 /nfs/dbraw/zinc/83/53/29/386835329.db2.gz DISMRCHTBWVDQO-VIFPVBQESA-N 2 2 209.293 0.917 20 0 BCADLP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000425339974 386838495 /nfs/dbraw/zinc/83/84/95/386838495.db2.gz DHBVEUNMRYBHPG-IJLUTSLNSA-N 2 2 243.420 0.716 20 0 BCADLP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000425339974 386838499 /nfs/dbraw/zinc/83/84/99/386838499.db2.gz DHBVEUNMRYBHPG-IJLUTSLNSA-N 2 2 243.420 0.716 20 0 BCADLP CC(C)n1c[nH+]cc1C[NH2+]C1(C(N)=O)CC1 ZINC000425334646 386847704 /nfs/dbraw/zinc/84/77/04/386847704.db2.gz GUFVTPAKUPBLGW-UHFFFAOYSA-N 2 2 222.292 0.572 20 0 BCADLP C[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C[NH+](C)C ZINC000293642555 386852323 /nfs/dbraw/zinc/85/23/23/386852323.db2.gz DLRGVVYFKSQJOX-ORAHPGNNSA-N 2 2 236.319 0.737 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414938782 386857925 /nfs/dbraw/zinc/85/79/25/386857925.db2.gz FIJJRDZQPUQFQB-QJPTWQEYSA-N 3 2 211.353 0.716 20 0 BCADLP C[C@H](CNC(=O)CCc1[nH]cc[nH+]1)C[NH+](C)C ZINC000293672577 386859004 /nfs/dbraw/zinc/85/90/04/386859004.db2.gz GNODGGGWOBVYMV-SNVBAGLBSA-N 2 2 238.335 0.656 20 0 BCADLP O=C1CC[C@H]([NH2+]Cc2c[nH+]c[nH]2)[C@@H](C2CC2)N1 ZINC000341241837 386859443 /nfs/dbraw/zinc/85/94/43/386859443.db2.gz ZZMABBJMGAXAHW-CMPLNLGQSA-N 2 2 234.303 0.557 20 0 BCADLP C[C@H]1C[C@@H](O)C[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425347583 386861686 /nfs/dbraw/zinc/86/16/86/386861686.db2.gz YACXYSKLGLMMEC-GXSJLCMTSA-N 2 2 238.335 0.441 20 0 BCADLP C[C@H]1C[C@@H](O)C[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425347583 386861695 /nfs/dbraw/zinc/86/16/95/386861695.db2.gz YACXYSKLGLMMEC-GXSJLCMTSA-N 2 2 238.335 0.441 20 0 BCADLP C[C@H]1C[C@H](O)C[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425347586 386861738 /nfs/dbraw/zinc/86/17/38/386861738.db2.gz YACXYSKLGLMMEC-ONGXEEELSA-N 2 2 238.335 0.441 20 0 BCADLP C[C@H]1C[C@H](O)C[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425347586 386861743 /nfs/dbraw/zinc/86/17/43/386861743.db2.gz YACXYSKLGLMMEC-ONGXEEELSA-N 2 2 238.335 0.441 20 0 BCADLP Cc1c[nH+]c(CNC[C@@](C)(O)C[NH+](C)C)n1C ZINC000341279329 386874015 /nfs/dbraw/zinc/87/40/15/386874015.db2.gz IZFWIXGISVGJPF-GFCCVEGCSA-N 2 2 240.351 0.131 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000414940079 386877960 /nfs/dbraw/zinc/87/79/60/386877960.db2.gz XEKYUILGFXIVMC-MFKMUULPSA-N 2 2 247.342 0.873 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000334861630 386915265 /nfs/dbraw/zinc/91/52/65/386915265.db2.gz DSHZGEMVJBJBEG-KOLCDFICSA-N 2 2 208.309 0.508 20 0 BCADLP CCc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)o1 ZINC000358140873 386898520 /nfs/dbraw/zinc/89/85/20/386898520.db2.gz PCYYPBJQYYZIRU-ZDUSSCGKSA-N 2 2 238.331 0.998 20 0 BCADLP CCc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)o1 ZINC000358140873 386898525 /nfs/dbraw/zinc/89/85/25/386898525.db2.gz PCYYPBJQYYZIRU-ZDUSSCGKSA-N 2 2 238.331 0.998 20 0 BCADLP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000334849605 386899066 /nfs/dbraw/zinc/89/90/66/386899066.db2.gz XEBMAEPMNZEWKF-UWVGGRQHSA-N 3 2 233.306 0.573 20 0 BCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cnn(C)c1 ZINC000330889837 386910327 /nfs/dbraw/zinc/91/03/27/386910327.db2.gz VQFORQQNXABONT-PWSUYJOCSA-N 2 2 238.335 0.137 20 0 BCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cnn(C)c1 ZINC000330889837 386910331 /nfs/dbraw/zinc/91/03/31/386910331.db2.gz VQFORQQNXABONT-PWSUYJOCSA-N 2 2 238.335 0.137 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[NH+](C)C2)CC[N@@H+]1C ZINC000358259724 386922157 /nfs/dbraw/zinc/92/21/57/386922157.db2.gz USEWWZSHMVCCSK-UPJWGTAASA-N 3 2 241.379 0.125 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[NH+](C)C2)CC[N@H+]1C ZINC000358259724 386922163 /nfs/dbraw/zinc/92/21/63/386922163.db2.gz USEWWZSHMVCCSK-UPJWGTAASA-N 3 2 241.379 0.125 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC[NH+]1C ZINC000358259724 386922166 /nfs/dbraw/zinc/92/21/66/386922166.db2.gz USEWWZSHMVCCSK-UPJWGTAASA-N 3 2 241.379 0.125 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC[NH+]1C ZINC000358259724 386922168 /nfs/dbraw/zinc/92/21/68/386922168.db2.gz USEWWZSHMVCCSK-UPJWGTAASA-N 3 2 241.379 0.125 20 0 BCADLP Cc1n[nH]cc1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000334866088 386924188 /nfs/dbraw/zinc/92/41/88/386924188.db2.gz WNUFTOJPYAWOEX-LDYMZIIASA-N 2 2 208.309 0.806 20 0 BCADLP C[NH2+][C@@H]1CC[N@H+](CCC(=O)Nc2cccnc2)C1 ZINC000358326778 386934423 /nfs/dbraw/zinc/93/44/23/386934423.db2.gz QVALYWXMRLJHDQ-GFCCVEGCSA-N 2 2 248.330 0.704 20 0 BCADLP C[NH2+][C@@H]1CC[N@@H+](CCC(=O)Nc2cccnc2)C1 ZINC000358326778 386934427 /nfs/dbraw/zinc/93/44/27/386934427.db2.gz QVALYWXMRLJHDQ-GFCCVEGCSA-N 2 2 248.330 0.704 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645468983 386935673 /nfs/dbraw/zinc/93/56/73/386935673.db2.gz FZRWPULTJXZRTL-VHSXEESVSA-N 2 2 236.319 0.386 20 0 BCADLP Cn1nccc1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000334875649 386937214 /nfs/dbraw/zinc/93/72/14/386937214.db2.gz XRMKYNUWWZRLNC-JTQLQIEISA-N 2 2 208.309 0.650 20 0 BCADLP Cn1ncc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000368125122 386945160 /nfs/dbraw/zinc/94/51/60/386945160.db2.gz VEWUUIWVUIJKLA-SNVBAGLBSA-N 2 2 246.318 0.918 20 0 BCADLP Cn1ncc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000368125122 386945162 /nfs/dbraw/zinc/94/51/62/386945162.db2.gz VEWUUIWVUIJKLA-SNVBAGLBSA-N 2 2 246.318 0.918 20 0 BCADLP C[C@@H]1CC[N@H+](Cc2cc[nH]n2)C[C@H]1C[NH3+] ZINC000334818294 386945164 /nfs/dbraw/zinc/94/51/64/386945164.db2.gz CNHHIUJEORMNER-NXEZZACHSA-N 2 2 208.309 0.826 20 0 BCADLP C[C@@H]1CC[N@@H+](Cc2cc[nH]n2)C[C@H]1C[NH3+] ZINC000334818294 386945167 /nfs/dbraw/zinc/94/51/67/386945167.db2.gz CNHHIUJEORMNER-NXEZZACHSA-N 2 2 208.309 0.826 20 0 BCADLP C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000358412114 386952996 /nfs/dbraw/zinc/95/29/96/386952996.db2.gz XZCNQTLZORUISN-NQBHXWOUSA-N 2 2 236.363 0.891 20 0 BCADLP C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000358412114 386952999 /nfs/dbraw/zinc/95/29/99/386952999.db2.gz XZCNQTLZORUISN-NQBHXWOUSA-N 2 2 236.363 0.891 20 0 BCADLP CC[C@@H](C(=O)OC)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368352210 386964922 /nfs/dbraw/zinc/96/49/22/386964922.db2.gz PJUONAXEPLBBDJ-AAEUAGOBSA-N 2 2 240.347 0.966 20 0 BCADLP CC[C@@H](C(=O)OC)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368352210 386964924 /nfs/dbraw/zinc/96/49/24/386964924.db2.gz PJUONAXEPLBBDJ-AAEUAGOBSA-N 2 2 240.347 0.966 20 0 BCADLP CC[C@@H](C(=O)OC)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368352210 386964927 /nfs/dbraw/zinc/96/49/27/386964927.db2.gz PJUONAXEPLBBDJ-AAEUAGOBSA-N 2 2 240.347 0.966 20 0 BCADLP CC[C@@H](C(=O)OC)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368352210 386964929 /nfs/dbraw/zinc/96/49/29/386964929.db2.gz PJUONAXEPLBBDJ-AAEUAGOBSA-N 2 2 240.347 0.966 20 0 BCADLP O=C1CC[C@@H]([NH2+]CCn2cc[nH+]c2)[C@H](C2CC2)N1 ZINC000368500848 386982137 /nfs/dbraw/zinc/98/21/37/386982137.db2.gz YQNDAYGJSKVXAT-YPMHNXCESA-N 2 2 248.330 0.530 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000341896914 386994422 /nfs/dbraw/zinc/99/44/22/386994422.db2.gz KZKMZCIIEHIYFC-GHMZBOCLSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000341896914 386994424 /nfs/dbraw/zinc/99/44/24/386994424.db2.gz KZKMZCIIEHIYFC-GHMZBOCLSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000341896916 386996810 /nfs/dbraw/zinc/99/68/10/386996810.db2.gz KZKMZCIIEHIYFC-MNOVXSKESA-N 2 2 239.363 0.857 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000341896916 386996817 /nfs/dbraw/zinc/99/68/17/386996817.db2.gz KZKMZCIIEHIYFC-MNOVXSKESA-N 2 2 239.363 0.857 20 0 BCADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ncn(C)n1 ZINC000392084036 387005552 /nfs/dbraw/zinc/00/55/52/387005552.db2.gz FDNHQDAFKWQSJT-JTQLQIEISA-N 2 2 234.307 0.753 20 0 BCADLP Cc1cc(NC(=O)NC2CC[NH2+]CC2)cc[nH+]1 ZINC000334822202 386951265 /nfs/dbraw/zinc/95/12/65/386951265.db2.gz CCORZLJVMRQGTG-UHFFFAOYSA-N 2 2 234.303 0.685 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000336764559 387059123 /nfs/dbraw/zinc/05/91/23/387059123.db2.gz QGHBVFXSRXCCNF-IUCAKERBSA-N 2 2 213.325 0.323 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000336764559 387059124 /nfs/dbraw/zinc/05/91/24/387059124.db2.gz QGHBVFXSRXCCNF-IUCAKERBSA-N 2 2 213.325 0.323 20 0 BCADLP CCOC(=O)CC[N@@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000514603721 387009629 /nfs/dbraw/zinc/00/96/29/387009629.db2.gz ZTQSNRVFRZZXBH-QWRGUYRKSA-N 2 2 244.335 0.378 20 0 BCADLP CCOC(=O)CC[N@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000514603721 387009631 /nfs/dbraw/zinc/00/96/31/387009631.db2.gz ZTQSNRVFRZZXBH-QWRGUYRKSA-N 2 2 244.335 0.378 20 0 BCADLP COC[C@H]1CC[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425367067 387024865 /nfs/dbraw/zinc/02/48/65/387024865.db2.gz GVBCNYMUVQYFCZ-SNVBAGLBSA-N 2 2 238.335 0.707 20 0 BCADLP COC[C@H]1CC[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425367067 387024868 /nfs/dbraw/zinc/02/48/68/387024868.db2.gz GVBCNYMUVQYFCZ-SNVBAGLBSA-N 2 2 238.335 0.707 20 0 BCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NCC1CCC1 ZINC000359272896 387076156 /nfs/dbraw/zinc/07/61/56/387076156.db2.gz IYVQPRZFBYPKSX-VXGBXAGGSA-N 2 2 237.347 0.054 20 0 BCADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC[NH2+]1 ZINC000370094797 387089191 /nfs/dbraw/zinc/08/91/91/387089191.db2.gz OYDYAVRCGXPBHE-HLTSFMKQSA-N 2 2 247.289 0.240 20 0 BCADLP COCCC[N@H+](C)CC[NH2+]C1CCOCC1 ZINC000062767918 387114641 /nfs/dbraw/zinc/11/46/41/387114641.db2.gz RZYCUUAHUODAGJ-UHFFFAOYSA-N 2 2 230.352 0.723 20 0 BCADLP COCCC[N@@H+](C)CC[NH2+]C1CCOCC1 ZINC000062767918 387114643 /nfs/dbraw/zinc/11/46/43/387114643.db2.gz RZYCUUAHUODAGJ-UHFFFAOYSA-N 2 2 230.352 0.723 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@]2(C)CCC[NH2+]C2)c[nH+]1 ZINC000335025653 387116098 /nfs/dbraw/zinc/11/60/98/387116098.db2.gz HZRHLWQJCZHTKS-GFCCVEGCSA-N 2 2 236.319 0.838 20 0 BCADLP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CCOC)C2)C1 ZINC000459631759 387143400 /nfs/dbraw/zinc/14/34/00/387143400.db2.gz KLWVTZMEPKAZAJ-RWMBFGLXSA-N 2 2 242.363 0.864 20 0 BCADLP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CCOC)C2)C1 ZINC000459631759 387143408 /nfs/dbraw/zinc/14/34/08/387143408.db2.gz KLWVTZMEPKAZAJ-RWMBFGLXSA-N 2 2 242.363 0.864 20 0 BCADLP CCC[NH2+]CC[NH2+][C@@H](CC)Cn1cncn1 ZINC000423316011 387156664 /nfs/dbraw/zinc/15/66/64/387156664.db2.gz XTXOEBAXIOVJMA-NSHDSACASA-N 2 2 225.340 0.646 20 0 BCADLP CC[C@H]([NH2+]CC[NH2+]CCOC)c1cnn(C)c1 ZINC000423320193 387162979 /nfs/dbraw/zinc/16/29/79/387162979.db2.gz DEETYBCGWNRDLS-LBPRGKRZSA-N 2 2 240.351 0.697 20 0 BCADLP C[NH+]1CCC([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000353258079 387166837 /nfs/dbraw/zinc/16/68/37/387166837.db2.gz ZKWWEFAQDGHCSA-NSHDSACASA-N 3 2 234.347 0.951 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000229574228 387172106 /nfs/dbraw/zinc/17/21/06/387172106.db2.gz GZYFVPINCCNVSB-JQWIXIFHSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000229574228 387172110 /nfs/dbraw/zinc/17/21/10/387172110.db2.gz GZYFVPINCCNVSB-JQWIXIFHSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000229913990 387206446 /nfs/dbraw/zinc/20/64/46/387206446.db2.gz GZYFVPINCCNVSB-CMPLNLGQSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000229913990 387206448 /nfs/dbraw/zinc/20/64/48/387206448.db2.gz GZYFVPINCCNVSB-CMPLNLGQSA-N 2 2 223.320 0.894 20 0 BCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423356500 387207714 /nfs/dbraw/zinc/20/77/14/387207714.db2.gz JZYUGLTXBUFMIG-XQQFMLRXSA-N 3 2 241.379 0.485 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423358525 387210154 /nfs/dbraw/zinc/21/01/54/387210154.db2.gz NTZPMJAXAXVQGK-QJPTWQEYSA-N 3 2 211.353 0.716 20 0 BCADLP OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000187664950 387213310 /nfs/dbraw/zinc/21/33/10/387213310.db2.gz QCRDCDNXVASKPZ-RYUDHWBXSA-N 2 2 247.298 0.262 20 0 BCADLP OC[C@@H]1C[C@H](O)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000187664950 387213312 /nfs/dbraw/zinc/21/33/12/387213312.db2.gz QCRDCDNXVASKPZ-RYUDHWBXSA-N 2 2 247.298 0.262 20 0 BCADLP Cc1ccnc([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c1 ZINC000353506463 387218011 /nfs/dbraw/zinc/21/80/11/387218011.db2.gz YPUCEPFULQCAKY-NWDGAFQWSA-N 2 2 237.347 0.963 20 0 BCADLP C[NH+](C)C1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000120282849 387220227 /nfs/dbraw/zinc/22/02/27/387220227.db2.gz XNNKYCAQGYHZRL-LBPRGKRZSA-N 2 2 239.363 0.681 20 0 BCADLP CC(C)[C@H]([NH2+]CCn1cc[nH+]c1)c1nncn1C ZINC000352467495 387229411 /nfs/dbraw/zinc/22/94/11/387229411.db2.gz LDPJPPAIALETMC-NSHDSACASA-N 2 2 248.334 0.999 20 0 BCADLP Cn1nncc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000353570314 387232186 /nfs/dbraw/zinc/23/21/86/387232186.db2.gz PIHIYKNZHCYCBQ-SNVBAGLBSA-N 2 2 223.324 0.199 20 0 BCADLP Cn1nncc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000353570314 387232190 /nfs/dbraw/zinc/23/21/90/387232190.db2.gz PIHIYKNZHCYCBQ-SNVBAGLBSA-N 2 2 223.324 0.199 20 0 BCADLP Cn1nncc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000353570310 387233752 /nfs/dbraw/zinc/23/37/52/387233752.db2.gz PIHIYKNZHCYCBQ-JTQLQIEISA-N 2 2 223.324 0.199 20 0 BCADLP Cn1nncc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000353570310 387233754 /nfs/dbraw/zinc/23/37/54/387233754.db2.gz PIHIYKNZHCYCBQ-JTQLQIEISA-N 2 2 223.324 0.199 20 0 BCADLP C[C@@H]([NH3+])C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000336406210 387235607 /nfs/dbraw/zinc/23/56/07/387235607.db2.gz IZHOACOOYWENFJ-SECBINFHSA-N 3 2 208.309 0.936 20 0 BCADLP CC(C)[N@@H+](CCn1cc[nH+]c1)C[C@@H](C)O ZINC000120421705 387244409 /nfs/dbraw/zinc/24/44/09/387244409.db2.gz BMRQHYZGDSCSDS-LLVKDONJSA-N 2 2 211.309 0.974 20 0 BCADLP CC(C)[N@H+](CCn1cc[nH+]c1)C[C@@H](C)O ZINC000120421705 387244414 /nfs/dbraw/zinc/24/44/14/387244414.db2.gz BMRQHYZGDSCSDS-LLVKDONJSA-N 2 2 211.309 0.974 20 0 BCADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]2CCC[C@@H]21 ZINC000423420053 387247573 /nfs/dbraw/zinc/24/75/73/387247573.db2.gz AQZUNBCJMHXBHN-KYTCRMMBSA-N 3 2 235.375 0.667 20 0 BCADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]2CCC[C@@H]21 ZINC000423420053 387247578 /nfs/dbraw/zinc/24/75/78/387247578.db2.gz AQZUNBCJMHXBHN-KYTCRMMBSA-N 3 2 235.375 0.667 20 0 BCADLP COCC[NH2+]CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423345085 387196003 /nfs/dbraw/zinc/19/60/03/387196003.db2.gz XKYZMTFNAYMZSC-VXGBXAGGSA-N 3 2 229.368 0.330 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H]2C[C@H](O)C2(C)C)n1C ZINC000514677941 387314000 /nfs/dbraw/zinc/31/40/00/387314000.db2.gz LWFIWEYXVMCDDJ-QWRGUYRKSA-N 2 2 223.320 0.978 20 0 BCADLP COc1cccc2c1OC[C@H]([NH2+][C@@H]1CC[NH2+]C1)C2 ZINC000643452054 387265228 /nfs/dbraw/zinc/26/52/28/387265228.db2.gz UISDLGLVLQCFFT-VXGBXAGGSA-N 2 2 248.326 0.950 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC000423388500 387274910 /nfs/dbraw/zinc/27/49/10/387274910.db2.gz UBJPURFSKPPYBO-QCNOEVLYSA-N 3 2 211.353 0.715 20 0 BCADLP C[NH2+]C[C@H](C)CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000514857427 387297003 /nfs/dbraw/zinc/29/70/03/387297003.db2.gz PDLAWBWBHCLHGA-IONNQARKSA-N 2 2 242.348 0.115 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538471 387362768 /nfs/dbraw/zinc/36/27/68/387362768.db2.gz MZIJSXGMIHVGBM-WCQYABFASA-N 3 2 223.364 0.836 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538471 387362772 /nfs/dbraw/zinc/36/27/72/387362772.db2.gz MZIJSXGMIHVGBM-WCQYABFASA-N 3 2 223.364 0.836 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538469 387364092 /nfs/dbraw/zinc/36/40/92/387364092.db2.gz MZIJSXGMIHVGBM-AAEUAGOBSA-N 3 2 223.364 0.836 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538469 387364098 /nfs/dbraw/zinc/36/40/98/387364098.db2.gz MZIJSXGMIHVGBM-AAEUAGOBSA-N 3 2 223.364 0.836 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423545754 387367452 /nfs/dbraw/zinc/36/74/52/387367452.db2.gz PEPVRGHOUUHYDR-RGDJUOJXSA-N 3 2 237.391 0.914 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423545754 387367456 /nfs/dbraw/zinc/36/74/56/387367456.db2.gz PEPVRGHOUUHYDR-RGDJUOJXSA-N 3 2 237.391 0.914 20 0 BCADLP O=C1OCC[C@@H]2CC[N@H+](CCn3cc[nH+]c3)[C@@H]12 ZINC000373449277 387372292 /nfs/dbraw/zinc/37/22/92/387372292.db2.gz UJGSZCCPSDJXNS-WDEREUQCSA-N 2 2 235.287 0.521 20 0 BCADLP O=C1OCC[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)[C@@H]12 ZINC000373449277 387372294 /nfs/dbraw/zinc/37/22/94/387372294.db2.gz UJGSZCCPSDJXNS-WDEREUQCSA-N 2 2 235.287 0.521 20 0 BCADLP O=C1OCC[C@@H]2CC[N@H+](CCn3cc[nH+]c3)[C@H]12 ZINC000373449276 387373119 /nfs/dbraw/zinc/37/31/19/387373119.db2.gz UJGSZCCPSDJXNS-QWRGUYRKSA-N 2 2 235.287 0.521 20 0 BCADLP O=C1OCC[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)[C@H]12 ZINC000373449276 387373124 /nfs/dbraw/zinc/37/31/24/387373124.db2.gz UJGSZCCPSDJXNS-QWRGUYRKSA-N 2 2 235.287 0.521 20 0 BCADLP C[C@@H]([NH2+]CCC[NH2+]C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423555957 387374490 /nfs/dbraw/zinc/37/44/90/387374490.db2.gz MEAROCJILNVBDF-PWSUYJOCSA-N 3 2 211.353 0.859 20 0 BCADLP C[C@H]([NH2+]CCC[NH2+]C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423555956 387374891 /nfs/dbraw/zinc/37/48/91/387374891.db2.gz MEAROCJILNVBDF-JQWIXIFHSA-N 3 2 211.353 0.859 20 0 BCADLP CC1CC[NH+](CC(=O)NCC(F)(F)C[NH3+])CC1 ZINC000423557459 387375101 /nfs/dbraw/zinc/37/51/01/387375101.db2.gz ZSQSNOJHWALCBN-UHFFFAOYSA-N 2 2 249.305 0.429 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)[C@@H]1CC1(C)C ZINC000423565347 387376965 /nfs/dbraw/zinc/37/69/65/387376965.db2.gz LRXRAEYOGIRVDR-DCAQKATOSA-N 2 2 212.337 0.999 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCOCC[NH+](C)C)n1C ZINC000515434492 387379943 /nfs/dbraw/zinc/37/99/43/387379943.db2.gz KZKPZLZBQCSHKS-UHFFFAOYSA-N 3 2 240.351 0.396 20 0 BCADLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)[C@@H]1C[C@@H]1C ZINC000423569033 387380486 /nfs/dbraw/zinc/38/04/86/387380486.db2.gz MQNZDXPTXKRANL-YFKTTZPYSA-N 2 2 212.337 0.999 20 0 BCADLP CC(=O)NCC[N@@H+](C)CCn1cc[nH+]c1C ZINC000515057583 387327371 /nfs/dbraw/zinc/32/73/71/387327371.db2.gz HPYAWFDIFYTIHK-UHFFFAOYSA-N 2 2 224.308 0.259 20 0 BCADLP CC(=O)NCC[N@H+](C)CCn1cc[nH+]c1C ZINC000515057583 387327377 /nfs/dbraw/zinc/32/73/77/387327377.db2.gz HPYAWFDIFYTIHK-UHFFFAOYSA-N 2 2 224.308 0.259 20 0 BCADLP Cc1n[nH]cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000336503677 387329539 /nfs/dbraw/zinc/32/95/39/387329539.db2.gz QWVPUWYZGDGZTC-JQWIXIFHSA-N 2 2 220.320 0.902 20 0 BCADLP Cc1n[nH]cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000336503677 387329542 /nfs/dbraw/zinc/32/95/42/387329542.db2.gz QWVPUWYZGDGZTC-JQWIXIFHSA-N 2 2 220.320 0.902 20 0 BCADLP C[C@H](CCCC[NH3+])NC(=O)CCn1cc[nH+]c1 ZINC000292130650 387341736 /nfs/dbraw/zinc/34/17/36/387341736.db2.gz RKJIOFVDDCPJTB-LLVKDONJSA-N 2 2 238.335 0.907 20 0 BCADLP CC(C)[NH2+]CCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000572354560 387342779 /nfs/dbraw/zinc/34/27/79/387342779.db2.gz DJNBGLWCVBSCGB-VXGBXAGGSA-N 3 2 213.369 0.962 20 0 BCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H]2COC[C@H]2O)C1 ZINC000361307466 387435666 /nfs/dbraw/zinc/43/56/66/387435666.db2.gz GGPJAFCQFYPXSX-YNEHKIRRSA-N 2 2 242.363 0.410 20 0 BCADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2COC[C@H]2O)C1 ZINC000361307466 387435671 /nfs/dbraw/zinc/43/56/71/387435671.db2.gz GGPJAFCQFYPXSX-YNEHKIRRSA-N 2 2 242.363 0.410 20 0 BCADLP C[NH+](C)CC(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374336275 387443108 /nfs/dbraw/zinc/44/31/08/387443108.db2.gz DIOUTLCLOBOOJQ-GFCCVEGCSA-N 2 2 248.330 0.116 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000521446761 387447873 /nfs/dbraw/zinc/44/78/73/387447873.db2.gz NXIPPDFLBMMYPJ-AEJSXWLSSA-N 2 2 216.350 0.540 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000521446761 387447877 /nfs/dbraw/zinc/44/78/77/387447877.db2.gz NXIPPDFLBMMYPJ-AEJSXWLSSA-N 2 2 216.350 0.540 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000373890094 387401745 /nfs/dbraw/zinc/40/17/45/387401745.db2.gz CNJMGWYCKPZGEK-XHNCKOQMSA-N 2 2 247.289 0.240 20 0 BCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N(C)C ZINC000515649936 387414330 /nfs/dbraw/zinc/41/43/30/387414330.db2.gz RNBAVBLSYIBYOV-SNVBAGLBSA-N 2 2 201.314 0.038 20 0 BCADLP CC(C)[N@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC000572422417 387417189 /nfs/dbraw/zinc/41/71/89/387417189.db2.gz LHYDHEJORUAFEV-UHFFFAOYSA-N 2 2 224.308 0.340 20 0 BCADLP CC(C)[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC000572422417 387417194 /nfs/dbraw/zinc/41/71/94/387417194.db2.gz LHYDHEJORUAFEV-UHFFFAOYSA-N 2 2 224.308 0.340 20 0 BCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000361220949 387417743 /nfs/dbraw/zinc/41/77/43/387417743.db2.gz PIBNKROJONHCCJ-PWSUYJOCSA-N 2 2 239.363 0.714 20 0 BCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000361220949 387417746 /nfs/dbraw/zinc/41/77/46/387417746.db2.gz PIBNKROJONHCCJ-PWSUYJOCSA-N 2 2 239.363 0.714 20 0 BCADLP C[N@H+](CCC[NH+]1CCCCC1)[C@H]1COC[C@@H]1O ZINC000352803702 387493825 /nfs/dbraw/zinc/49/38/25/387493825.db2.gz ZBQZTYZEJUPMAU-STQMWFEESA-N 2 2 242.363 0.554 20 0 BCADLP C[N@@H+](CCC[NH+]1CCCCC1)[C@H]1COC[C@@H]1O ZINC000352803702 387493830 /nfs/dbraw/zinc/49/38/30/387493830.db2.gz ZBQZTYZEJUPMAU-STQMWFEESA-N 2 2 242.363 0.554 20 0 BCADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)[C@@H]1CCC[NH2+]1 ZINC000643474902 387496640 /nfs/dbraw/zinc/49/66/40/387496640.db2.gz MDAMZZNTSZATSU-MROQNXINSA-N 2 2 241.379 0.436 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC000355317980 387519239 /nfs/dbraw/zinc/51/92/39/387519239.db2.gz KZBHIPWBLMPREO-LLVKDONJSA-N 2 2 225.336 0.102 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC000355317980 387519241 /nfs/dbraw/zinc/51/92/41/387519241.db2.gz KZBHIPWBLMPREO-LLVKDONJSA-N 2 2 225.336 0.102 20 0 BCADLP CC[NH+](CC)CCN1CC[N@@H+]2CCOC[C@H]2C1 ZINC000375232725 387520157 /nfs/dbraw/zinc/52/01/57/387520157.db2.gz DARKHCCOLGCGJC-CYBMUJFWSA-N 2 2 241.379 0.345 20 0 BCADLP CC[NH+](CC)CCN1CC[N@H+]2CCOC[C@H]2C1 ZINC000375232725 387520161 /nfs/dbraw/zinc/52/01/61/387520161.db2.gz DARKHCCOLGCGJC-CYBMUJFWSA-N 2 2 241.379 0.345 20 0 BCADLP COC[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000361795047 387536461 /nfs/dbraw/zinc/53/64/61/387536461.db2.gz CMVOARWYSNKJJJ-AVGNSLFASA-N 2 2 242.363 0.864 20 0 BCADLP COC[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000361795047 387536469 /nfs/dbraw/zinc/53/64/69/387536469.db2.gz CMVOARWYSNKJJJ-AVGNSLFASA-N 2 2 242.363 0.864 20 0 BCADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643508038 387481466 /nfs/dbraw/zinc/48/14/66/387481466.db2.gz CYADGTYXHGNYFQ-CMPLNLGQSA-N 3 2 211.353 0.716 20 0 BCADLP CC[C@@H](C)NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430588173 387629212 /nfs/dbraw/zinc/62/92/12/387629212.db2.gz YRDWVBMCAVXHGP-BXKDBHETSA-N 2 2 227.352 0.618 20 0 BCADLP C[NH2+]CCC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422631766 387610137 /nfs/dbraw/zinc/61/01/37/387610137.db2.gz FXICPZMPNUTUFC-SRVKXCTJSA-N 3 2 213.369 0.901 20 0 BCADLP C[NH2+]CCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422631766 387610139 /nfs/dbraw/zinc/61/01/39/387610139.db2.gz FXICPZMPNUTUFC-SRVKXCTJSA-N 3 2 213.369 0.901 20 0 BCADLP COC[C@H](C)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422699250 387615947 /nfs/dbraw/zinc/61/59/47/387615947.db2.gz CTUJYCGWWMGAOS-RTXFEEFZSA-N 2 2 242.363 0.626 20 0 BCADLP C[C@@H]1CCC[N@H+](CCN2CCCC2=O)[C@@H]1C[NH3+] ZINC000430582693 387629442 /nfs/dbraw/zinc/62/94/42/387629442.db2.gz WWQPFLJYJNKMTJ-VXGBXAGGSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@@H]1CCC[N@@H+](CCN2CCCC2=O)[C@@H]1C[NH3+] ZINC000430582693 387629448 /nfs/dbraw/zinc/62/94/48/387629448.db2.gz WWQPFLJYJNKMTJ-VXGBXAGGSA-N 2 2 239.363 0.668 20 0 BCADLP CC[C@H](C)NC(=O)CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422709689 387623407 /nfs/dbraw/zinc/62/34/07/387623407.db2.gz ZOXWFIXGRLLFOT-WOPDTQHZSA-N 2 2 241.379 0.879 20 0 BCADLP COC[C@@H](CO)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000355537423 387549308 /nfs/dbraw/zinc/54/93/08/387549308.db2.gz UDFQAPKQWYDSIS-CYBMUJFWSA-N 2 2 238.331 0.920 20 0 BCADLP Cn1nccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000036901324 387557404 /nfs/dbraw/zinc/55/74/04/387557404.db2.gz XSBJSKNQBUZIAV-UHFFFAOYSA-N 2 2 219.292 0.797 20 0 BCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccccn1 ZINC000037889240 387567977 /nfs/dbraw/zinc/56/79/77/387567977.db2.gz ISDMZJWHMJCZGF-WDEREUQCSA-N 2 2 223.320 0.655 20 0 BCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cncc(F)c1 ZINC000305171237 387569808 /nfs/dbraw/zinc/56/98/08/387569808.db2.gz ZVUMWVLVIPLMGD-JOYOIKCWSA-N 2 2 241.310 0.794 20 0 BCADLP CCN(C)C(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000355741617 387575607 /nfs/dbraw/zinc/57/56/07/387575607.db2.gz AVTTZAXOKOFJIC-LBPRGKRZSA-N 2 2 241.379 0.738 20 0 BCADLP CCN(C)C(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000355741617 387575613 /nfs/dbraw/zinc/57/56/13/387575613.db2.gz AVTTZAXOKOFJIC-LBPRGKRZSA-N 2 2 241.379 0.738 20 0 BCADLP CCN(C)C(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000355741617 387575615 /nfs/dbraw/zinc/57/56/15/387575615.db2.gz AVTTZAXOKOFJIC-LBPRGKRZSA-N 2 2 241.379 0.738 20 0 BCADLP CCN(C)C(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000355741617 387575619 /nfs/dbraw/zinc/57/56/19/387575619.db2.gz AVTTZAXOKOFJIC-LBPRGKRZSA-N 2 2 241.379 0.738 20 0 BCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N1CCCCC1 ZINC000430586363 387630425 /nfs/dbraw/zinc/63/04/25/387630425.db2.gz WDMFEPJJDRQZIX-ZDUSSCGKSA-N 2 2 241.379 0.962 20 0 BCADLP C[C@@H]1CCC[N@H+](CCN2CCCC2=O)[C@H]1C[NH3+] ZINC000430582690 387631759 /nfs/dbraw/zinc/63/17/59/387631759.db2.gz WWQPFLJYJNKMTJ-NEPJUHHUSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@@H]1CCC[N@@H+](CCN2CCCC2=O)[C@H]1C[NH3+] ZINC000430582690 387631764 /nfs/dbraw/zinc/63/17/64/387631764.db2.gz WWQPFLJYJNKMTJ-NEPJUHHUSA-N 2 2 239.363 0.668 20 0 BCADLP [NH3+]C1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000430616234 387632266 /nfs/dbraw/zinc/63/22/66/387632266.db2.gz FRUDFOVVTIWVAJ-LLVKDONJSA-N 2 2 223.320 0.173 20 0 BCADLP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)[C@H]1CCC[NH2+]1 ZINC000400754698 387638020 /nfs/dbraw/zinc/63/80/20/387638020.db2.gz WQFDYDVBMSRICI-GRYCIOLGSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000422728325 387638821 /nfs/dbraw/zinc/63/88/21/387638821.db2.gz FTORYXIBJNHYEB-NWDGAFQWSA-N 3 2 222.336 0.861 20 0 BCADLP COCCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422731411 387640130 /nfs/dbraw/zinc/64/01/30/387640130.db2.gz LNVXRWQMZGWLRR-NWDGAFQWSA-N 2 2 228.336 0.380 20 0 BCADLP C[C@H]([NH3+])CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000430694712 387640694 /nfs/dbraw/zinc/64/06/94/387640694.db2.gz KZDVMNGCMNMTRO-UWVGGRQHSA-N 2 2 224.308 0.373 20 0 BCADLP Cn1nncc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000376490847 387641779 /nfs/dbraw/zinc/64/17/79/387641779.db2.gz ICJHVAXWFLKSFU-UHFFFAOYSA-N 2 2 246.318 0.918 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000362786456 387657446 /nfs/dbraw/zinc/65/74/46/387657446.db2.gz UIXHDNQORMCBQA-QWRGUYRKSA-N 2 2 233.315 0.948 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000362786456 387657451 /nfs/dbraw/zinc/65/74/51/387657451.db2.gz UIXHDNQORMCBQA-QWRGUYRKSA-N 2 2 233.315 0.948 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000362786451 387658437 /nfs/dbraw/zinc/65/84/37/387658437.db2.gz UIXHDNQORMCBQA-GHMZBOCLSA-N 2 2 233.315 0.948 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000362786451 387658441 /nfs/dbraw/zinc/65/84/41/387658441.db2.gz UIXHDNQORMCBQA-GHMZBOCLSA-N 2 2 233.315 0.948 20 0 BCADLP CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000430918094 387660995 /nfs/dbraw/zinc/66/09/95/387660995.db2.gz LUUWHKODCUIZOT-VIFPVBQESA-N 2 2 236.319 0.525 20 0 BCADLP CCc1cc(=O)[nH]c(C[N@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000430918094 387660999 /nfs/dbraw/zinc/66/09/99/387660999.db2.gz LUUWHKODCUIZOT-VIFPVBQESA-N 2 2 236.319 0.525 20 0 BCADLP CC(C)C(=O)NCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422756939 387661167 /nfs/dbraw/zinc/66/11/67/387661167.db2.gz MEMLHUPIUMBROS-MNOVXSKESA-N 2 2 227.352 0.346 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cc[nH]n2)C1 ZINC000125558475 387661305 /nfs/dbraw/zinc/66/13/05/387661305.db2.gz OJKYKZMIEITKDM-SNVBAGLBSA-N 2 2 208.309 0.793 20 0 BCADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000125558475 387661311 /nfs/dbraw/zinc/66/13/11/387661311.db2.gz OJKYKZMIEITKDM-SNVBAGLBSA-N 2 2 208.309 0.793 20 0 BCADLP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422762378 387662958 /nfs/dbraw/zinc/66/29/58/387662958.db2.gz NPEBFZKOBVSDQX-QJPTWQEYSA-N 2 2 239.363 0.585 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000430966863 387664810 /nfs/dbraw/zinc/66/48/10/387664810.db2.gz PTRNWFBZRXRBJD-WCQYABFASA-N 2 2 247.342 0.754 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000430966863 387664812 /nfs/dbraw/zinc/66/48/12/387664812.db2.gz PTRNWFBZRXRBJD-WCQYABFASA-N 2 2 247.342 0.754 20 0 BCADLP NC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430959661 387664838 /nfs/dbraw/zinc/66/48/38/387664838.db2.gz CUTBMEXFKQZMPE-CMPLNLGQSA-N 2 2 233.315 0.494 20 0 BCADLP NC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430959661 387664841 /nfs/dbraw/zinc/66/48/41/387664841.db2.gz CUTBMEXFKQZMPE-CMPLNLGQSA-N 2 2 233.315 0.494 20 0 BCADLP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000422769077 387667489 /nfs/dbraw/zinc/66/74/89/387667489.db2.gz SQOXGHWFWHRXES-AVGNSLFASA-N 3 2 243.395 0.670 20 0 BCADLP CC(C)([NH3+])C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000431057131 387672345 /nfs/dbraw/zinc/67/23/45/387672345.db2.gz HCCVJQHRZUTLNM-UHFFFAOYSA-N 2 2 236.319 0.784 20 0 BCADLP COC[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)C(C)C ZINC000126514258 387686473 /nfs/dbraw/zinc/68/64/73/387686473.db2.gz DOBPKTFVSROGHW-QWHCGFSZSA-N 2 2 243.395 0.493 20 0 BCADLP COC[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)C(C)C ZINC000126514258 387686480 /nfs/dbraw/zinc/68/64/80/387686480.db2.gz DOBPKTFVSROGHW-QWHCGFSZSA-N 2 2 243.395 0.493 20 0 BCADLP COC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)C(C)C ZINC000126513837 387686727 /nfs/dbraw/zinc/68/67/27/387686727.db2.gz DOBPKTFVSROGHW-CHWSQXEVSA-N 2 2 243.395 0.493 20 0 BCADLP COC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C(C)C ZINC000126513837 387686734 /nfs/dbraw/zinc/68/67/34/387686734.db2.gz DOBPKTFVSROGHW-CHWSQXEVSA-N 2 2 243.395 0.493 20 0 BCADLP COC[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)C(C)C ZINC000126514434 387687170 /nfs/dbraw/zinc/68/71/70/387687170.db2.gz DOBPKTFVSROGHW-STQMWFEESA-N 2 2 243.395 0.493 20 0 BCADLP COC[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)C(C)C ZINC000126514434 387687176 /nfs/dbraw/zinc/68/71/76/387687176.db2.gz DOBPKTFVSROGHW-STQMWFEESA-N 2 2 243.395 0.493 20 0 BCADLP CCC([NH3+])(CC)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000422876736 387756263 /nfs/dbraw/zinc/75/62/63/387756263.db2.gz GJOIBSZNBHHCNI-UHFFFAOYSA-N 2 2 224.308 0.965 20 0 BCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424143569 387755284 /nfs/dbraw/zinc/75/52/84/387755284.db2.gz ZTEJEBRHXUFOBQ-ZJUUUORDSA-N 2 2 234.303 0.111 20 0 BCADLP C([NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000422817961 387713854 /nfs/dbraw/zinc/71/38/54/387713854.db2.gz IXGSLWBZESBLOY-NWDGAFQWSA-N 2 2 210.321 0.753 20 0 BCADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000643522745 387721843 /nfs/dbraw/zinc/72/18/43/387721843.db2.gz BYUAIRTXCAABAM-GRYCIOLGSA-N 3 2 211.353 0.859 20 0 BCADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000643522752 387722054 /nfs/dbraw/zinc/72/20/54/387722054.db2.gz BYUAIRTXCAABAM-WOPDTQHZSA-N 3 2 211.353 0.859 20 0 BCADLP C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)[C@@H]1CCC[NH2+]1 ZINC000422833125 387725066 /nfs/dbraw/zinc/72/50/66/387725066.db2.gz YLZVFYAZWRVZDY-GARJFASQSA-N 2 2 225.336 0.337 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)[C@H]1CCC[NH2+]1 ZINC000422833126 387725607 /nfs/dbraw/zinc/72/56/07/387725607.db2.gz YLZVFYAZWRVZDY-GMTAPVOTSA-N 2 2 225.336 0.337 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC2CC2)CC[N@@H+]1C ZINC000128132360 387737295 /nfs/dbraw/zinc/73/72/95/387737295.db2.gz ZJVNVYYLFNXIKQ-PWSUYJOCSA-N 2 2 239.363 0.585 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC2CC2)CC[N@H+]1C ZINC000128132360 387737303 /nfs/dbraw/zinc/73/73/03/387737303.db2.gz ZJVNVYYLFNXIKQ-PWSUYJOCSA-N 2 2 239.363 0.585 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@H+](C[C@@H]2CCCCO2)CCO1 ZINC000169175959 387762786 /nfs/dbraw/zinc/76/27/86/387762786.db2.gz HRHHYBPHDQBXCL-SDDRHHMPSA-N 2 2 228.336 0.604 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@@H+](C[C@@H]2CCCCO2)CCO1 ZINC000169175959 387762795 /nfs/dbraw/zinc/76/27/95/387762795.db2.gz HRHHYBPHDQBXCL-SDDRHHMPSA-N 2 2 228.336 0.604 20 0 BCADLP CCCC(=O)NC[C@@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000442660792 387812110 /nfs/dbraw/zinc/81/21/10/387812110.db2.gz MSPUJLLDCBUXPV-RYUDHWBXSA-N 2 2 241.379 0.962 20 0 BCADLP CCCC(=O)NC[C@@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000442660792 387812114 /nfs/dbraw/zinc/81/21/14/387812114.db2.gz MSPUJLLDCBUXPV-RYUDHWBXSA-N 2 2 241.379 0.962 20 0 BCADLP C[C@H](C[NH3+])CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000441617073 387773483 /nfs/dbraw/zinc/77/34/83/387773483.db2.gz YYXJQRACNHWGMJ-SECBINFHSA-N 2 2 232.287 0.659 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCC2CC(O)C2)C1 ZINC000432369213 387785804 /nfs/dbraw/zinc/78/58/04/387785804.db2.gz UPNJWFURTZZUQD-CPCZMJQVSA-N 2 2 242.363 0.458 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+]CCC2CC(O)C2)C1 ZINC000432369213 387785811 /nfs/dbraw/zinc/78/58/11/387785811.db2.gz UPNJWFURTZZUQD-CPCZMJQVSA-N 2 2 242.363 0.458 20 0 BCADLP CO[C@H](C)CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422899798 387786297 /nfs/dbraw/zinc/78/62/97/387786297.db2.gz IFSJBTOKCPTHDX-RAIGVLPGSA-N 2 2 242.363 0.768 20 0 BCADLP CCn1ncc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)n1 ZINC000527920794 387789811 /nfs/dbraw/zinc/78/98/11/387789811.db2.gz JKALKZCMLNFSPN-ZYHUDNBSSA-N 2 2 237.351 0.728 20 0 BCADLP CCn1ncc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)n1 ZINC000527920794 387789815 /nfs/dbraw/zinc/78/98/15/387789815.db2.gz JKALKZCMLNFSPN-ZYHUDNBSSA-N 2 2 237.351 0.728 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCn1cccn1 ZINC000422997665 387802957 /nfs/dbraw/zinc/80/29/57/387802957.db2.gz VGNMRCMDPAUOAJ-MNOVXSKESA-N 2 2 208.309 0.471 20 0 BCADLP CC(C)[C@H](O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000432820796 387827555 /nfs/dbraw/zinc/82/75/55/387827555.db2.gz UAYAGNLAOWBUOJ-CYBMUJFWSA-N 2 2 244.379 0.392 20 0 BCADLP CC(C)[C@H](O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000432820796 387827559 /nfs/dbraw/zinc/82/75/59/387827559.db2.gz UAYAGNLAOWBUOJ-CYBMUJFWSA-N 2 2 244.379 0.392 20 0 BCADLP CC[C@H]([NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424159481 387839041 /nfs/dbraw/zinc/83/90/41/387839041.db2.gz AAFKWZACUICFBE-SFYZADRCSA-N 2 2 235.278 0.085 20 0 BCADLP C[NH2+]Cc1ccc(NC(=O)[C@H]2COCC[NH2+]2)cc1 ZINC000424163362 387846563 /nfs/dbraw/zinc/84/65/63/387846563.db2.gz DLYONVRHANQUIC-GFCCVEGCSA-N 2 2 249.314 0.333 20 0 BCADLP CC(C)OCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423041902 387855951 /nfs/dbraw/zinc/85/59/51/387855951.db2.gz YBXIPMJGZMKCLU-MNOVXSKESA-N 2 2 200.326 0.999 20 0 BCADLP C[N@H+]1C[C@@H]2C[NH+](CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC000193632490 387858885 /nfs/dbraw/zinc/85/88/85/387858885.db2.gz CIOOUVXPMUITFD-BETUJISGSA-N 3 2 234.347 0.767 20 0 BCADLP C[N@@H+]1C[C@@H]2C[NH+](CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC000193632490 387858887 /nfs/dbraw/zinc/85/88/87/387858887.db2.gz CIOOUVXPMUITFD-BETUJISGSA-N 3 2 234.347 0.767 20 0 BCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193634063 387859304 /nfs/dbraw/zinc/85/93/04/387859304.db2.gz SOTDLPHCWFSOJN-UTUOFQBUSA-N 2 2 239.363 0.395 20 0 BCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193634063 387859309 /nfs/dbraw/zinc/85/93/09/387859309.db2.gz SOTDLPHCWFSOJN-UTUOFQBUSA-N 2 2 239.363 0.395 20 0 BCADLP CCCNC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193634063 387859310 /nfs/dbraw/zinc/85/93/10/387859310.db2.gz SOTDLPHCWFSOJN-UTUOFQBUSA-N 2 2 239.363 0.395 20 0 BCADLP CCCNC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193634063 387859313 /nfs/dbraw/zinc/85/93/13/387859313.db2.gz SOTDLPHCWFSOJN-UTUOFQBUSA-N 2 2 239.363 0.395 20 0 BCADLP C[C@@H]([NH3+])CC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424172278 387865214 /nfs/dbraw/zinc/86/52/14/387865214.db2.gz LLWKTJRRKZJYEN-SFYZADRCSA-N 2 2 235.278 0.085 20 0 BCADLP CC(C)(O)CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423057974 387865522 /nfs/dbraw/zinc/86/55/22/387865522.db2.gz BDJDNYKHVJUTAE-NWDGAFQWSA-N 2 2 242.363 0.504 20 0 BCADLP [NH3+][C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC000322451020 387868833 /nfs/dbraw/zinc/86/88/33/387868833.db2.gz URFRBCWEBRDXBL-XYPYZODXSA-N 2 2 236.319 0.659 20 0 BCADLP CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423067104 387869319 /nfs/dbraw/zinc/86/93/19/387869319.db2.gz GIXBNAMZAOZCKH-HBNTYKKESA-N 2 2 227.352 0.583 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000423075737 387874771 /nfs/dbraw/zinc/87/47/71/387874771.db2.gz XSYFXSVQYJSBMQ-NEPJUHHUSA-N 3 2 229.368 0.152 20 0 BCADLP CC(C)C(=O)NC[C@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000442659137 387814468 /nfs/dbraw/zinc/81/44/68/387814468.db2.gz KJDHGZHDMOHEPE-VXGBXAGGSA-N 2 2 241.379 0.818 20 0 BCADLP CC(C)C(=O)NC[C@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000442659137 387814473 /nfs/dbraw/zinc/81/44/73/387814473.db2.gz KJDHGZHDMOHEPE-VXGBXAGGSA-N 2 2 241.379 0.818 20 0 BCADLP C[C@H]([NH3+])C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000442662939 387817006 /nfs/dbraw/zinc/81/70/06/387817006.db2.gz GACPUAQXTOPNCL-JTQLQIEISA-N 2 2 225.336 0.420 20 0 BCADLP CC(C)OCCOC[C@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC000442662195 387817048 /nfs/dbraw/zinc/81/70/48/387817048.db2.gz HBEKHLJRDZTSHX-NWDGAFQWSA-N 2 2 248.367 0.068 20 0 BCADLP CC(C)OCCOC[C@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC000442662195 387817050 /nfs/dbraw/zinc/81/70/50/387817050.db2.gz HBEKHLJRDZTSHX-NWDGAFQWSA-N 2 2 248.367 0.068 20 0 BCADLP CCCCNC(=O)C1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000442661874 387817876 /nfs/dbraw/zinc/81/78/76/387817876.db2.gz OVCULGRUJXBCST-LLVKDONJSA-N 2 2 241.379 0.962 20 0 BCADLP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424182158 387897641 /nfs/dbraw/zinc/89/76/41/387897641.db2.gz YSAUEMBGRDBEMF-IUCAKERBSA-N 2 2 249.305 0.331 20 0 BCADLP CC(C)OC[C@@H](CO)[N@H+](C)CCn1cc[nH+]c1 ZINC000433165991 387875564 /nfs/dbraw/zinc/87/55/64/387875564.db2.gz DQGPZZITQMIKOG-GFCCVEGCSA-N 2 2 241.335 0.601 20 0 BCADLP CC(C)OC[C@@H](CO)[N@@H+](C)CCn1cc[nH+]c1 ZINC000433165991 387875568 /nfs/dbraw/zinc/87/55/68/387875568.db2.gz DQGPZZITQMIKOG-GFCCVEGCSA-N 2 2 241.335 0.601 20 0 BCADLP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538402 387876217 /nfs/dbraw/zinc/87/62/17/387876217.db2.gz JIXYQSHESIDSTG-NOOOWODRSA-N 3 2 229.343 0.794 20 0 BCADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538401 387876266 /nfs/dbraw/zinc/87/62/66/387876266.db2.gz JIXYQSHESIDSTG-FIQHERPVSA-N 3 2 229.343 0.794 20 0 BCADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538392 387876479 /nfs/dbraw/zinc/87/64/79/387876479.db2.gz JDQMZCODOILRNF-NOOOWODRSA-N 3 2 229.343 0.664 20 0 BCADLP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538756 387877535 /nfs/dbraw/zinc/87/75/35/387877535.db2.gz UOKUIIBRMGFDCF-VWYCJHECSA-N 3 2 217.332 0.794 20 0 BCADLP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c(=O)n1C ZINC000423085549 387881411 /nfs/dbraw/zinc/88/14/11/387881411.db2.gz KEBMKQSARUODFZ-YPMHNXCESA-N 2 2 249.358 0.924 20 0 BCADLP Cc1cncc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000313353242 387886819 /nfs/dbraw/zinc/88/68/19/387886819.db2.gz PJPSJCFKYSXBTQ-CYBMUJFWSA-N 2 2 235.331 0.940 20 0 BCADLP Cc1cncc(C[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000313353242 387886823 /nfs/dbraw/zinc/88/68/23/387886823.db2.gz PJPSJCFKYSXBTQ-CYBMUJFWSA-N 2 2 235.331 0.940 20 0 BCADLP CO[C@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)C1CC1 ZINC000423134363 387911164 /nfs/dbraw/zinc/91/11/64/387911164.db2.gz MAXLZJSWJFTYJH-ADEWGFFLSA-N 2 2 212.337 0.999 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)N(C)C ZINC000424284634 387952441 /nfs/dbraw/zinc/95/24/41/387952441.db2.gz DKMMGYXPKZETBZ-OPRDCNLKSA-N 2 2 213.325 0.323 20 0 BCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(C2CC2)C1=O ZINC000424298552 387958386 /nfs/dbraw/zinc/95/83/86/387958386.db2.gz DMFNCHYEBJTPBM-IJLUTSLNSA-N 2 2 237.347 0.609 20 0 BCADLP CC[C@@H](C)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424303343 387962667 /nfs/dbraw/zinc/96/26/67/387962667.db2.gz ZQDBSXSPPUDGDZ-ADEWGFFLSA-N 2 2 222.336 0.945 20 0 BCADLP CC[C@@H](C)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424303343 387962673 /nfs/dbraw/zinc/96/26/73/387962673.db2.gz ZQDBSXSPPUDGDZ-ADEWGFFLSA-N 2 2 222.336 0.945 20 0 BCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000424336864 387979669 /nfs/dbraw/zinc/97/96/69/387979669.db2.gz RGNNLCOQZHLFNR-QJPTWQEYSA-N 3 2 211.353 0.846 20 0 BCADLP COC[C@H]([NH3+])c1nc(C2([NH3+])CCCCC2)no1 ZINC000424339165 387982282 /nfs/dbraw/zinc/98/22/82/387982282.db2.gz BWSWKYYVLDJNEM-QMMMGPOBSA-N 2 2 240.307 0.834 20 0 BCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC[NH2+]C ZINC000423222852 388003937 /nfs/dbraw/zinc/00/39/37/388003937.db2.gz CYLZNHSYLAHTLR-SNVBAGLBSA-N 2 2 215.341 0.442 20 0 BCADLP CC[C@@H]([NH2+]CC[N@H+](C)CCOC)[C@H]1CCOC1 ZINC000159401006 388011486 /nfs/dbraw/zinc/01/14/86/388011486.db2.gz PCABHIGOANBRCI-QWHCGFSZSA-N 2 2 244.379 0.969 20 0 BCADLP CC[C@@H]([NH2+]CC[N@@H+](C)CCOC)[C@H]1CCOC1 ZINC000159401006 388011490 /nfs/dbraw/zinc/01/14/90/388011490.db2.gz PCABHIGOANBRCI-QWHCGFSZSA-N 2 2 244.379 0.969 20 0 BCADLP C[N@@H+]1CCN(C(=O)C[NH3+])c2ccccc2C1 ZINC000082276491 388020894 /nfs/dbraw/zinc/02/08/94/388020894.db2.gz LMGWWPAPRTZJFJ-UHFFFAOYSA-N 2 2 219.288 0.424 20 0 BCADLP C[N@H+]1CCN(C(=O)C[NH3+])c2ccccc2C1 ZINC000082276491 388020899 /nfs/dbraw/zinc/02/08/99/388020899.db2.gz LMGWWPAPRTZJFJ-UHFFFAOYSA-N 2 2 219.288 0.424 20 0 BCADLP CC[NH+](CC)CC[NH2+][C@H](C)CC(N)=O ZINC000066147763 388023571 /nfs/dbraw/zinc/02/35/71/388023571.db2.gz OUXBSGGPZNESTI-SECBINFHSA-N 2 2 201.314 0.182 20 0 BCADLP COCCN1CC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)C1 ZINC000423257920 388037909 /nfs/dbraw/zinc/03/79/09/388037909.db2.gz ASNHBGLNSFKRTQ-CHWSQXEVSA-N 2 2 243.395 0.670 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423258244 388038131 /nfs/dbraw/zinc/03/81/31/388038131.db2.gz LVIMEVUCVWIXEX-UPJWGTAASA-N 3 2 225.380 0.916 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423258244 388038133 /nfs/dbraw/zinc/03/81/33/388038133.db2.gz LVIMEVUCVWIXEX-UPJWGTAASA-N 3 2 225.380 0.916 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423258242 388039454 /nfs/dbraw/zinc/03/94/54/388039454.db2.gz LVIMEVUCVWIXEX-FRRDWIJNSA-N 3 2 225.380 0.916 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423258242 388039457 /nfs/dbraw/zinc/03/94/57/388039457.db2.gz LVIMEVUCVWIXEX-FRRDWIJNSA-N 3 2 225.380 0.916 20 0 BCADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000423262667 388040541 /nfs/dbraw/zinc/04/05/41/388040541.db2.gz NCRRWYYDAUMBJU-QJPTWQEYSA-N 2 2 213.369 0.900 20 0 BCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NC(C)C ZINC000087472638 135142440 /nfs/dbraw/zinc/14/24/40/135142440.db2.gz OJOXMTNKGLWGOA-UHFFFAOYSA-N 2 2 201.314 0.052 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCC[C@H]2O)C1 ZINC000453402415 388073543 /nfs/dbraw/zinc/07/35/43/388073543.db2.gz FXPUAOWDWUQFPV-WISYIIOYSA-N 2 2 212.337 0.830 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCC[C@H]2O)C1 ZINC000453402415 388073546 /nfs/dbraw/zinc/07/35/46/388073546.db2.gz FXPUAOWDWUQFPV-WISYIIOYSA-N 2 2 212.337 0.830 20 0 BCADLP CCn1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000085283445 388085677 /nfs/dbraw/zinc/08/56/77/388085677.db2.gz XFDCQJZFKIPUNC-TXEJJXNPSA-N 2 2 220.320 0.554 20 0 BCADLP CCn1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000085283445 388085680 /nfs/dbraw/zinc/08/56/80/388085680.db2.gz XFDCQJZFKIPUNC-TXEJJXNPSA-N 2 2 220.320 0.554 20 0 BCADLP COC(C)(C)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336660184 388091601 /nfs/dbraw/zinc/09/16/01/388091601.db2.gz RJUMBSUWQKKUBQ-ZJUUUORDSA-N 2 2 200.326 0.951 20 0 BCADLP COC(C)(C)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336660184 388091605 /nfs/dbraw/zinc/09/16/05/388091605.db2.gz RJUMBSUWQKKUBQ-ZJUUUORDSA-N 2 2 200.326 0.951 20 0 BCADLP OC[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000447905469 388101619 /nfs/dbraw/zinc/10/16/19/388101619.db2.gz UHXBGAKIHUTDFA-VXGBXAGGSA-N 2 2 239.319 0.403 20 0 BCADLP CCN(CC)C(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638256 388104680 /nfs/dbraw/zinc/10/46/80/388104680.db2.gz FMWKSEUSZCLHPQ-UHFFFAOYSA-N 2 2 229.368 0.772 20 0 BCADLP CCN(CC)C(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638256 388104684 /nfs/dbraw/zinc/10/46/84/388104684.db2.gz FMWKSEUSZCLHPQ-UHFFFAOYSA-N 2 2 229.368 0.772 20 0 BCADLP COC[C@H]([NH3+])C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000645975655 388112040 /nfs/dbraw/zinc/11/20/40/388112040.db2.gz NSZXDUZJZGVMKX-VIFPVBQESA-N 2 2 234.259 0.247 20 0 BCADLP C[NH2+]CCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000645976313 388112383 /nfs/dbraw/zinc/11/23/83/388112383.db2.gz RIVBUCBCRNPIDT-UHFFFAOYSA-N 2 2 218.260 0.882 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000165489878 388253224 /nfs/dbraw/zinc/25/32/24/388253224.db2.gz VVRDXWPFDRHNCS-JGVFFNPUSA-N 2 2 210.281 0.351 20 0 BCADLP CCOC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449387896 388190471 /nfs/dbraw/zinc/19/04/71/388190471.db2.gz NKDBSGFAYSBFLU-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP CCOC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449387896 388190473 /nfs/dbraw/zinc/19/04/73/388190473.db2.gz NKDBSGFAYSBFLU-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCSC1 ZINC000449388034 388190916 /nfs/dbraw/zinc/19/09/16/388190916.db2.gz NTWSGXJQVGYUGX-VXGBXAGGSA-N 2 2 244.404 0.928 20 0 BCADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCSC1 ZINC000449388034 388190919 /nfs/dbraw/zinc/19/09/19/388190919.db2.gz NTWSGXJQVGYUGX-VXGBXAGGSA-N 2 2 244.404 0.928 20 0 BCADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]CC1CC1 ZINC000449388104 388191700 /nfs/dbraw/zinc/19/17/00/388191700.db2.gz NYMBBFBEYWERBP-LBPRGKRZSA-N 2 2 212.337 0.833 20 0 BCADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]CC1CC1 ZINC000449388104 388191701 /nfs/dbraw/zinc/19/17/01/388191701.db2.gz NYMBBFBEYWERBP-LBPRGKRZSA-N 2 2 212.337 0.833 20 0 BCADLP C[C@H](CCCO)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000449408311 388197205 /nfs/dbraw/zinc/19/72/05/388197205.db2.gz NKALJLWBXNVWFO-GRYCIOLGSA-N 2 2 214.353 0.935 20 0 BCADLP C[C@H](CCCO)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000449408311 388197206 /nfs/dbraw/zinc/19/72/06/388197206.db2.gz NKALJLWBXNVWFO-GRYCIOLGSA-N 2 2 214.353 0.935 20 0 BCADLP CCN1C[C@@H]([NH2+][C@H]2C[N@H+](CC)C[C@@H]2C)CC1=O ZINC000449519676 388222765 /nfs/dbraw/zinc/22/27/65/388222765.db2.gz QNRWSWLFHOXIGG-SRVKXCTJSA-N 2 2 239.363 0.537 20 0 BCADLP CCN1C[C@@H]([NH2+][C@H]2C[N@@H+](CC)C[C@@H]2C)CC1=O ZINC000449519676 388222768 /nfs/dbraw/zinc/22/27/68/388222768.db2.gz QNRWSWLFHOXIGG-SRVKXCTJSA-N 2 2 239.363 0.537 20 0 BCADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)[C@H](C)O ZINC000449543204 388227969 /nfs/dbraw/zinc/22/79/69/388227969.db2.gz NWTFMFXQIMHZIO-VPOLOUISSA-N 2 2 200.326 0.686 20 0 BCADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)[C@H](C)O ZINC000449543204 388227971 /nfs/dbraw/zinc/22/79/71/388227971.db2.gz NWTFMFXQIMHZIO-VPOLOUISSA-N 2 2 200.326 0.686 20 0 BCADLP CO[C@@H]1C[N@H+](Cc2cccc3[nH+]ccn32)C[C@H]1O ZINC000449571388 388235829 /nfs/dbraw/zinc/23/58/29/388235829.db2.gz KFLFRTCWWOABEN-VXGBXAGGSA-N 2 2 247.298 0.526 20 0 BCADLP CO[C@@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)C[C@H]1O ZINC000449571388 388235831 /nfs/dbraw/zinc/23/58/31/388235831.db2.gz KFLFRTCWWOABEN-VXGBXAGGSA-N 2 2 247.298 0.526 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(F)C1 ZINC000518394818 256570397 /nfs/dbraw/zinc/57/03/97/256570397.db2.gz ZNTMUWDKUYLAFU-RYUDHWBXSA-N 2 2 248.342 0.359 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(F)C1 ZINC000518394818 256570398 /nfs/dbraw/zinc/57/03/98/256570398.db2.gz ZNTMUWDKUYLAFU-RYUDHWBXSA-N 2 2 248.342 0.359 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000518394818 256570399 /nfs/dbraw/zinc/57/03/99/256570399.db2.gz ZNTMUWDKUYLAFU-RYUDHWBXSA-N 2 2 248.342 0.359 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@](C)(F)C1 ZINC000518394818 256570400 /nfs/dbraw/zinc/57/04/00/256570400.db2.gz ZNTMUWDKUYLAFU-RYUDHWBXSA-N 2 2 248.342 0.359 20 0 BCADLP C[C@@H]1C(=O)N(C)CC[N@H+]1CCc1c[nH+]cn1C ZINC000459421938 388243285 /nfs/dbraw/zinc/24/32/85/388243285.db2.gz FCEFCUSWQXEFDH-SNVBAGLBSA-N 2 2 236.319 0.125 20 0 BCADLP C[C@@H]1C(=O)N(C)CC[N@@H+]1CCc1c[nH+]cn1C ZINC000459421938 388243287 /nfs/dbraw/zinc/24/32/87/388243287.db2.gz FCEFCUSWQXEFDH-SNVBAGLBSA-N 2 2 236.319 0.125 20 0 BCADLP CCSCC[NH2+]CC[N@H+](C)CCOC ZINC000164800744 388248392 /nfs/dbraw/zinc/24/83/92/388248392.db2.gz FXQASOAAWCYKBR-UHFFFAOYSA-N 2 2 220.382 0.907 20 0 BCADLP CCSCC[NH2+]CC[N@@H+](C)CCOC ZINC000164800744 388248393 /nfs/dbraw/zinc/24/83/93/388248393.db2.gz FXQASOAAWCYKBR-UHFFFAOYSA-N 2 2 220.382 0.907 20 0 BCADLP C[NH+](C)C/C=C/C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000491861858 388324946 /nfs/dbraw/zinc/32/49/46/388324946.db2.gz AWMVRXXQJVPRJA-ONEGZZNKSA-N 2 2 234.303 0.384 20 0 BCADLP O=C(CC1CC[NH2+]CC1)Nc1cc[nH+]cc1O ZINC000645952783 388267222 /nfs/dbraw/zinc/26/72/22/388267222.db2.gz TVIJPMMEOYYUOH-UHFFFAOYSA-N 2 2 235.287 0.537 20 0 BCADLP O=C(CC[C@@H]1CCC[NH2+]1)Nc1cc[nH+]cc1O ZINC000645952478 388267387 /nfs/dbraw/zinc/26/73/87/388267387.db2.gz CFURPSZNGTYOIG-VIFPVBQESA-N 2 2 235.287 0.680 20 0 BCADLP COC[C@@H](C)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000163339075 388361015 /nfs/dbraw/zinc/36/10/15/388361015.db2.gz DGDACUNHUXIJOM-RYUDHWBXSA-N 2 2 229.368 0.104 20 0 BCADLP COC[C@@H](C)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000163339075 388361017 /nfs/dbraw/zinc/36/10/17/388361017.db2.gz DGDACUNHUXIJOM-RYUDHWBXSA-N 2 2 229.368 0.104 20 0 BCADLP COC[C@H](C)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000163338960 388361254 /nfs/dbraw/zinc/36/12/54/388361254.db2.gz DGDACUNHUXIJOM-VXGBXAGGSA-N 2 2 229.368 0.104 20 0 BCADLP COC[C@H](C)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000163338960 388361257 /nfs/dbraw/zinc/36/12/57/388361257.db2.gz DGDACUNHUXIJOM-VXGBXAGGSA-N 2 2 229.368 0.104 20 0 BCADLP CCOC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261534212 135166844 /nfs/dbraw/zinc/16/68/44/135166844.db2.gz LVWOHLSHQNEZRQ-MWLCHTKSSA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261534212 135166845 /nfs/dbraw/zinc/16/68/45/135166845.db2.gz LVWOHLSHQNEZRQ-MWLCHTKSSA-N 2 2 214.309 0.609 20 0 BCADLP Cn1c[nH+]cc1CNC[C@@H](C1CC1)[NH+](C)C ZINC000237168959 388390872 /nfs/dbraw/zinc/39/08/72/388390872.db2.gz OLVJYPLBDRSETA-LBPRGKRZSA-N 2 2 222.336 0.850 20 0 BCADLP CC[N@H+](CC[NH3+])Cc1nc(C)ccc1O ZINC000300785959 388393830 /nfs/dbraw/zinc/39/38/30/388393830.db2.gz GNXMMLRECQOTSS-UHFFFAOYSA-N 2 2 209.293 0.876 20 0 BCADLP CC[N@@H+](CC[NH3+])Cc1nc(C)ccc1O ZINC000300785959 388393832 /nfs/dbraw/zinc/39/38/32/388393832.db2.gz GNXMMLRECQOTSS-UHFFFAOYSA-N 2 2 209.293 0.876 20 0 BCADLP C[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)[C@H](C)O ZINC000520397558 256672042 /nfs/dbraw/zinc/67/20/42/256672042.db2.gz IQHLJGJFDXPISS-VWYCJHECSA-N 2 2 232.393 0.783 20 0 BCADLP COC(=O)CCC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000308564160 388443658 /nfs/dbraw/zinc/44/36/58/388443658.db2.gz ZDSGFGJPSZQSSU-IUCAKERBSA-N 2 2 200.282 0.361 20 0 BCADLP COC(=O)CCC[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000308564160 388443661 /nfs/dbraw/zinc/44/36/61/388443661.db2.gz ZDSGFGJPSZQSSU-IUCAKERBSA-N 2 2 200.282 0.361 20 0 BCADLP COCC[N@@H+]1CC[C@@H](NC[C@H](C)[NH+](C)C)C1 ZINC000309918928 388468763 /nfs/dbraw/zinc/46/87/63/388468763.db2.gz QXLBLIAJTZDTJE-NWDGAFQWSA-N 2 2 229.368 0.247 20 0 BCADLP COCC[N@H+]1CC[C@@H](NC[C@H](C)[NH+](C)C)C1 ZINC000309918928 388468765 /nfs/dbraw/zinc/46/87/65/388468765.db2.gz QXLBLIAJTZDTJE-NWDGAFQWSA-N 2 2 229.368 0.247 20 0 BCADLP COCCN1CC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000309918928 388468768 /nfs/dbraw/zinc/46/87/68/388468768.db2.gz QXLBLIAJTZDTJE-NWDGAFQWSA-N 2 2 229.368 0.247 20 0 BCADLP Cc1nc(N2CC[NH+](C[C@@H](C)O)CC2)cc[nH+]1 ZINC000174725864 388411669 /nfs/dbraw/zinc/41/16/69/388411669.db2.gz GJIHGPAGKHAQLD-SNVBAGLBSA-N 2 2 236.319 0.288 20 0 BCADLP Cc1nc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)nc(N)[nH+]1 ZINC000328562807 388418686 /nfs/dbraw/zinc/41/86/86/388418686.db2.gz ILHVCIMGRPQEPH-OCAPTIKFSA-N 2 2 236.323 0.291 20 0 BCADLP Cc1nc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)nc(N)[nH+]1 ZINC000328562807 388418688 /nfs/dbraw/zinc/41/86/88/388418688.db2.gz ILHVCIMGRPQEPH-OCAPTIKFSA-N 2 2 236.323 0.291 20 0 BCADLP CSC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000573199449 388431548 /nfs/dbraw/zinc/43/15/48/388431548.db2.gz XUKVODOVXVOTHR-CKYFFXLPSA-N 2 2 244.404 0.925 20 0 BCADLP CSC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000573199449 388431551 /nfs/dbraw/zinc/43/15/51/388431551.db2.gz XUKVODOVXVOTHR-CKYFFXLPSA-N 2 2 244.404 0.925 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000573249990 388435737 /nfs/dbraw/zinc/43/57/37/388435737.db2.gz RPHLHQSGLSIRIO-GFCCVEGCSA-N 2 2 239.363 0.573 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000573249990 388435738 /nfs/dbraw/zinc/43/57/38/388435738.db2.gz RPHLHQSGLSIRIO-GFCCVEGCSA-N 2 2 239.363 0.573 20 0 BCADLP CC[N@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC000547881530 388494199 /nfs/dbraw/zinc/49/41/99/388494199.db2.gz IBUORUMXRDLAPZ-UHFFFAOYSA-N 2 2 224.308 0.031 20 0 BCADLP CC[N@@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC000547881530 388494201 /nfs/dbraw/zinc/49/42/01/388494201.db2.gz IBUORUMXRDLAPZ-UHFFFAOYSA-N 2 2 224.308 0.031 20 0 BCADLP C/C=C/C=C/C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613490 388521168 /nfs/dbraw/zinc/52/11/68/388521168.db2.gz DGJPTZDJALYJEB-KXGOJYIESA-N 2 2 223.320 0.220 20 0 BCADLP C[C@H](CC[NH3+])NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000516977486 388529687 /nfs/dbraw/zinc/52/96/87/388529687.db2.gz FENRCYHZJLWCAT-NXEZZACHSA-N 2 2 224.308 0.688 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]1O ZINC000351714143 388532766 /nfs/dbraw/zinc/53/27/66/388532766.db2.gz ZLZULYQMLJVEBD-KGYLQXTDSA-N 2 2 242.363 0.144 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]1O ZINC000351714143 388532768 /nfs/dbraw/zinc/53/27/68/388532768.db2.gz ZLZULYQMLJVEBD-KGYLQXTDSA-N 2 2 242.363 0.144 20 0 BCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@H]1O ZINC000351714143 388532770 /nfs/dbraw/zinc/53/27/70/388532770.db2.gz ZLZULYQMLJVEBD-KGYLQXTDSA-N 2 2 242.363 0.144 20 0 BCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H]1O ZINC000351714143 388532772 /nfs/dbraw/zinc/53/27/72/388532772.db2.gz ZLZULYQMLJVEBD-KGYLQXTDSA-N 2 2 242.363 0.144 20 0 BCADLP CC(C)([NH3+])C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000649306503 388591435 /nfs/dbraw/zinc/59/14/35/388591435.db2.gz VVYGWENBQUPJHG-UHFFFAOYSA-N 2 2 247.342 0.856 20 0 BCADLP [NH3+]C1(C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000649306363 388592565 /nfs/dbraw/zinc/59/25/65/388592565.db2.gz NIEPFYFUZOWHCY-UHFFFAOYSA-N 2 2 245.326 0.610 20 0 BCADLP O[C@@H]1COC[C@@H]1[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000550678756 388613881 /nfs/dbraw/zinc/61/38/81/388613881.db2.gz ROVZBKRVOZISBQ-NWDGAFQWSA-N 2 2 237.303 0.280 20 0 BCADLP C[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)C[C@@H]1[NH3+] ZINC000521010028 388559613 /nfs/dbraw/zinc/55/96/13/388559613.db2.gz FYFBCGUEFCQRFG-SCZZXKLOSA-N 2 2 233.319 0.834 20 0 BCADLP CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000521043678 388561075 /nfs/dbraw/zinc/56/10/75/388561075.db2.gz HINKAIXLXWSPGZ-NXEZZACHSA-N 2 2 234.365 0.151 20 0 BCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000521043680 388561347 /nfs/dbraw/zinc/56/13/47/388561347.db2.gz HINKAIXLXWSPGZ-VHSXEESVSA-N 2 2 234.365 0.151 20 0 BCADLP COC(=O)[C@@H]1C[N@H+](CC[NH2+]C(C)C)C[C@H]1C ZINC000368450940 388569098 /nfs/dbraw/zinc/56/90/98/388569098.db2.gz UDSPOKZDHRWVOE-GHMZBOCLSA-N 2 2 228.336 0.725 20 0 BCADLP COC(=O)[C@@H]1C[N@@H+](CC[NH2+]C(C)C)C[C@H]1C ZINC000368450940 388569100 /nfs/dbraw/zinc/56/91/00/388569100.db2.gz UDSPOKZDHRWVOE-GHMZBOCLSA-N 2 2 228.336 0.725 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649299831 388579022 /nfs/dbraw/zinc/57/90/22/388579022.db2.gz ZXVKLNBIDLQHJG-ZDCRXTMVSA-N 2 2 234.303 0.138 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC)[C@H](C)C1 ZINC000125769964 388676979 /nfs/dbraw/zinc/67/69/79/388676979.db2.gz RHJAUYJBMBAXGV-MNOVXSKESA-N 2 2 227.352 0.395 20 0 BCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC)[C@H](C)C1 ZINC000125769964 388676980 /nfs/dbraw/zinc/67/69/80/388676980.db2.gz RHJAUYJBMBAXGV-MNOVXSKESA-N 2 2 227.352 0.395 20 0 BCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC)[C@H](C)C1 ZINC000125769964 388676982 /nfs/dbraw/zinc/67/69/82/388676982.db2.gz RHJAUYJBMBAXGV-MNOVXSKESA-N 2 2 227.352 0.395 20 0 BCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC)[C@H](C)C1 ZINC000125769964 388676983 /nfs/dbraw/zinc/67/69/83/388676983.db2.gz RHJAUYJBMBAXGV-MNOVXSKESA-N 2 2 227.352 0.395 20 0 BCADLP O[C@@H]1COC[C@@H]1[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000551092905 388621697 /nfs/dbraw/zinc/62/16/97/388621697.db2.gz MCKXLLGRCRYRPF-WDEREUQCSA-N 2 2 237.303 0.349 20 0 BCADLP CCn1nncc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000530208567 388626399 /nfs/dbraw/zinc/62/63/99/388626399.db2.gz HTQXBUYTDKMLCU-NXEZZACHSA-N 2 2 209.297 0.267 20 0 BCADLP CCn1ncc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000530213504 388629484 /nfs/dbraw/zinc/62/94/84/388629484.db2.gz WGLIERNLQPXFJR-NXEZZACHSA-N 2 2 223.324 0.658 20 0 BCADLP COc1ccc(CC[NH2+][C@H]2CC[NH2+]C2)cn1 ZINC000530217892 388631004 /nfs/dbraw/zinc/63/10/04/388631004.db2.gz CNQTVDPPPADXFU-NSHDSACASA-N 2 2 221.304 0.584 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC12CC(C1)CO2 ZINC000530224749 388634184 /nfs/dbraw/zinc/63/41/84/388634184.db2.gz YBYORFLLVVKXAI-CQLXCSJHSA-N 2 2 240.347 0.522 20 0 BCADLP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1COCCN1 ZINC000530226896 388635391 /nfs/dbraw/zinc/63/53/91/388635391.db2.gz URYFAGOTDZDNOF-GFCCVEGCSA-N 2 2 239.363 0.191 20 0 BCADLP C(NC1CC[NH+](C2CC2)CC1)[C@@H]1COCC[NH2+]1 ZINC000530226896 388635394 /nfs/dbraw/zinc/63/53/94/388635394.db2.gz URYFAGOTDZDNOF-GFCCVEGCSA-N 2 2 239.363 0.191 20 0 BCADLP NC(=O)CC[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000530237758 388637616 /nfs/dbraw/zinc/63/76/16/388637616.db2.gz YUYWVPZYPVYPRC-GFCCVEGCSA-N 2 2 239.363 0.858 20 0 BCADLP NC(=O)CC[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000530237758 388637620 /nfs/dbraw/zinc/63/76/20/388637620.db2.gz YUYWVPZYPVYPRC-GFCCVEGCSA-N 2 2 239.363 0.858 20 0 BCADLP NC(=O)CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530245475 388639122 /nfs/dbraw/zinc/63/91/22/388639122.db2.gz YOTCZQKHGIJQMF-NSHDSACASA-N 2 2 225.336 0.468 20 0 BCADLP NC(=O)CC[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000530245475 388639123 /nfs/dbraw/zinc/63/91/23/388639123.db2.gz YOTCZQKHGIJQMF-NSHDSACASA-N 2 2 225.336 0.468 20 0 BCADLP Cc1ccc(CCC[NH2+]C[C@@H]2COCCN2)c[nH+]1 ZINC000530246284 388639637 /nfs/dbraw/zinc/63/96/37/388639637.db2.gz FAFALTIKGUTAMN-CQSZACIVSA-N 2 2 249.358 0.901 20 0 BCADLP COC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000328371151 388641825 /nfs/dbraw/zinc/64/18/25/388641825.db2.gz SFEOUEIARWJUQX-OLZOCXBDSA-N 2 2 248.326 0.834 20 0 BCADLP COC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000328371151 388641828 /nfs/dbraw/zinc/64/18/28/388641828.db2.gz SFEOUEIARWJUQX-OLZOCXBDSA-N 2 2 248.326 0.834 20 0 BCADLP CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H](C)[NH2+]1 ZINC000620897863 388652727 /nfs/dbraw/zinc/65/27/27/388652727.db2.gz DKLIVRKGBAABTP-WDEREUQCSA-N 2 2 236.319 0.482 20 0 BCADLP C[N@@H+]1CCN(C(=O)[C@H]2CC2(C)C)[C@@H](C[NH3+])C1 ZINC000124471387 388663129 /nfs/dbraw/zinc/66/31/29/388663129.db2.gz ZGDNYBFYYFNDIJ-VHSXEESVSA-N 2 2 225.336 0.134 20 0 BCADLP CO[C@H](C[NH3+])C(=O)Nc1cc[nH+]cc1C ZINC000227383903 388750543 /nfs/dbraw/zinc/75/05/43/388750543.db2.gz FEHMHCODXAJADV-SECBINFHSA-N 2 2 209.249 0.302 20 0 BCADLP CC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000229965272 388806535 /nfs/dbraw/zinc/80/65/35/388806535.db2.gz URKXJJFFWNAMCK-FOGDFJRCSA-N 2 2 212.337 0.972 20 0 BCADLP CC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000229965272 388806540 /nfs/dbraw/zinc/80/65/40/388806540.db2.gz URKXJJFFWNAMCK-FOGDFJRCSA-N 2 2 212.337 0.972 20 0 BCADLP C[NH+](C)CCOCC[NH2+]Cc1ccn[nH]1 ZINC000230005166 388809772 /nfs/dbraw/zinc/80/97/72/388809772.db2.gz XIRPIQBYBFLKNV-UHFFFAOYSA-N 2 2 212.297 0.078 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000252712814 388773787 /nfs/dbraw/zinc/77/37/87/388773787.db2.gz NKZITJUHKLGEJX-UTLUCORTSA-N 2 2 225.336 0.465 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000252712814 388773790 /nfs/dbraw/zinc/77/37/90/388773790.db2.gz NKZITJUHKLGEJX-UTLUCORTSA-N 2 2 225.336 0.465 20 0 BCADLP CC[C@@H](CO)[N@H+](C)CCCn1cc[nH+]c1 ZINC000293613314 388843508 /nfs/dbraw/zinc/84/35/08/388843508.db2.gz CVECDJDXTUGQRO-NSHDSACASA-N 2 2 211.309 0.976 20 0 BCADLP CC[C@@H](CO)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000293613314 388843511 /nfs/dbraw/zinc/84/35/11/388843511.db2.gz CVECDJDXTUGQRO-NSHDSACASA-N 2 2 211.309 0.976 20 0 BCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000555224207 388843831 /nfs/dbraw/zinc/84/38/31/388843831.db2.gz WTXUACMCXJVDSZ-SNVBAGLBSA-N 2 2 222.292 0.046 20 0 BCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000555224207 388843836 /nfs/dbraw/zinc/84/38/36/388843836.db2.gz WTXUACMCXJVDSZ-SNVBAGLBSA-N 2 2 222.292 0.046 20 0 BCADLP Cc1cc(NC(=O)NCC[NH+](C)C)c(C)c[nH+]1 ZINC000541862867 388870532 /nfs/dbraw/zinc/87/05/32/388870532.db2.gz GMMSNBKNVLVGMW-UHFFFAOYSA-N 2 2 236.319 0.803 20 0 BCADLP C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1[NH3+] ZINC000564644725 388881808 /nfs/dbraw/zinc/88/18/08/388881808.db2.gz RYMQWGJMHMKICQ-IJLUTSLNSA-N 2 2 228.336 0.461 20 0 BCADLP C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1[NH3+] ZINC000564644725 388881811 /nfs/dbraw/zinc/88/18/11/388881811.db2.gz RYMQWGJMHMKICQ-IJLUTSLNSA-N 2 2 228.336 0.461 20 0 BCADLP COc1ccnc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)n1 ZINC000564840990 388893370 /nfs/dbraw/zinc/89/33/70/388893370.db2.gz LIFGDPGIOCRPIQ-NXEZZACHSA-N 2 2 236.319 0.573 20 0 BCADLP [NH3+]CCOCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000564989454 388905569 /nfs/dbraw/zinc/90/55/69/388905569.db2.gz LMRYWDQQRIYWDD-QWHCGFSZSA-N 3 2 241.379 0.568 20 0 BCADLP [NH3+]CCOCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000564989454 388905572 /nfs/dbraw/zinc/90/55/72/388905572.db2.gz LMRYWDQQRIYWDD-QWHCGFSZSA-N 3 2 241.379 0.568 20 0 BCADLP [NH3+]CCOCC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000564989453 388905733 /nfs/dbraw/zinc/90/57/33/388905733.db2.gz LMRYWDQQRIYWDD-OLZOCXBDSA-N 3 2 241.379 0.568 20 0 BCADLP [NH3+]CCOCC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000564989453 388905735 /nfs/dbraw/zinc/90/57/35/388905735.db2.gz LMRYWDQQRIYWDD-OLZOCXBDSA-N 3 2 241.379 0.568 20 0 BCADLP CCC[C@@H]1C[N@H+](C[C@@](C)(O)C[NH2+]C)CCO1 ZINC000565094413 388913050 /nfs/dbraw/zinc/91/30/50/388913050.db2.gz YELONPJSUABRFM-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP CCC[C@@H]1C[N@@H+](C[C@@](C)(O)C[NH2+]C)CCO1 ZINC000565094413 388913053 /nfs/dbraw/zinc/91/30/53/388913053.db2.gz YELONPJSUABRFM-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP C[C@@H](O)CCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000565157020 388919107 /nfs/dbraw/zinc/91/91/07/388919107.db2.gz LDMQZWCNEKIDNT-LLVKDONJSA-N 2 2 238.335 0.693 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000565363665 388939111 /nfs/dbraw/zinc/93/91/11/388939111.db2.gz NYPWGKXIVLLITG-QWHCGFSZSA-N 3 2 225.380 0.917 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000565363665 388939113 /nfs/dbraw/zinc/93/91/13/388939113.db2.gz NYPWGKXIVLLITG-QWHCGFSZSA-N 3 2 225.380 0.917 20 0 BCADLP CSC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000566117303 388989144 /nfs/dbraw/zinc/98/91/44/388989144.db2.gz QLTUCESWQXHMCE-NXEZZACHSA-N 2 2 218.366 0.394 20 0 BCADLP CSC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000566117303 388989146 /nfs/dbraw/zinc/98/91/46/388989146.db2.gz QLTUCESWQXHMCE-NXEZZACHSA-N 2 2 218.366 0.394 20 0 BCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1[nH]c[nH+]c1C ZINC000269674391 389010158 /nfs/dbraw/zinc/01/01/58/389010158.db2.gz QASNIXBNGBQWRE-XCBNKYQSSA-N 2 2 224.308 0.708 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)C(F)(F)F ZINC000082680990 322825686 /nfs/dbraw/zinc/82/56/86/322825686.db2.gz IXDOAYOJSJQEFD-JGVFFNPUSA-N 2 2 237.225 0.784 20 0 BCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000335968911 134029276 /nfs/dbraw/zinc/02/92/76/134029276.db2.gz IQHSLDIZNYEVAK-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000335968911 134029277 /nfs/dbraw/zinc/02/92/77/134029277.db2.gz IQHSLDIZNYEVAK-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP Cn1cc[nH+]c1CN1CC[NH+]2CCC1CC2 ZINC000335997842 134043326 /nfs/dbraw/zinc/04/33/26/134043326.db2.gz RFTFDMWVOZHRMA-UHFFFAOYSA-N 2 2 220.320 0.700 20 0 BCADLP CC(C)[N@H+](C)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000336019549 134054032 /nfs/dbraw/zinc/05/40/32/134054032.db2.gz XJSSUHZUVFUVQB-UHFFFAOYSA-N 2 2 236.319 0.566 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)N1CCn2c[nH+]cc2C1 ZINC000336019549 134054033 /nfs/dbraw/zinc/05/40/33/134054033.db2.gz XJSSUHZUVFUVQB-UHFFFAOYSA-N 2 2 236.319 0.566 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)[C@H]1CCCOC1 ZINC000352186228 134099867 /nfs/dbraw/zinc/09/98/67/134099867.db2.gz KBVDIKPZTLWYIR-NSHDSACASA-N 2 2 209.293 0.994 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)[C@H]1CCCOC1 ZINC000352186228 134099868 /nfs/dbraw/zinc/09/98/68/134099868.db2.gz KBVDIKPZTLWYIR-NSHDSACASA-N 2 2 209.293 0.994 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167790216 134154287 /nfs/dbraw/zinc/15/42/87/134154287.db2.gz AGXJFKTVJGIHBH-RYUDHWBXSA-N 2 2 241.379 0.675 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167790216 134154288 /nfs/dbraw/zinc/15/42/88/134154288.db2.gz AGXJFKTVJGIHBH-RYUDHWBXSA-N 2 2 241.379 0.675 20 0 BCADLP C[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H](C)[NH2+]1 ZINC000085170847 134224615 /nfs/dbraw/zinc/22/46/15/134224615.db2.gz VFSXGEIPACPVEE-NXEZZACHSA-N 2 2 208.309 0.602 20 0 BCADLP C[C@H]1CO[C@@H](CO)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000168608476 134231442 /nfs/dbraw/zinc/23/14/42/134231442.db2.gz FVWYMBDTTGHWBN-NWDGAFQWSA-N 2 2 239.319 0.355 20 0 BCADLP C[C@H]1CO[C@@H](CO)C[N@H+]1CCCn1cc[nH+]c1 ZINC000168608476 134231443 /nfs/dbraw/zinc/23/14/43/134231443.db2.gz FVWYMBDTTGHWBN-NWDGAFQWSA-N 2 2 239.319 0.355 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCCOCCO)C[N@@H+]1C1CC1 ZINC000227334855 134378107 /nfs/dbraw/zinc/37/81/07/134378107.db2.gz XZXXEHNCMIFCTM-RYUDHWBXSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCCOCCO)C[N@H+]1C1CC1 ZINC000227334855 134378108 /nfs/dbraw/zinc/37/81/08/134378108.db2.gz XZXXEHNCMIFCTM-RYUDHWBXSA-N 2 2 242.363 0.600 20 0 BCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N(C)C ZINC000227737127 134385581 /nfs/dbraw/zinc/38/55/81/134385581.db2.gz LIDYYKJLBMIDEQ-JTQLQIEISA-N 2 2 215.341 0.380 20 0 BCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N(C)C ZINC000227737127 134385582 /nfs/dbraw/zinc/38/55/82/134385582.db2.gz LIDYYKJLBMIDEQ-JTQLQIEISA-N 2 2 215.341 0.380 20 0 BCADLP C[C@H]([NH3+])CCNC(=O)CCn1cc[nH+]c1 ZINC000063170554 134523730 /nfs/dbraw/zinc/52/37/30/134523730.db2.gz NYQVTGFOJDUQEP-VIFPVBQESA-N 2 2 210.281 0.127 20 0 BCADLP CO[C@@H](C)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248434948 135009805 /nfs/dbraw/zinc/00/98/05/135009805.db2.gz RIWBTNSTGKOQGJ-STQMWFEESA-N 2 2 242.363 0.675 20 0 BCADLP CO[C@@H](C)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248434948 135009807 /nfs/dbraw/zinc/00/98/07/135009807.db2.gz RIWBTNSTGKOQGJ-STQMWFEESA-N 2 2 242.363 0.675 20 0 BCADLP C[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248648218 135018480 /nfs/dbraw/zinc/01/84/80/135018480.db2.gz JMDSIZJXUIUTIR-NEPJUHHUSA-N 2 2 228.336 0.021 20 0 BCADLP C[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248648218 135018482 /nfs/dbraw/zinc/01/84/82/135018482.db2.gz JMDSIZJXUIUTIR-NEPJUHHUSA-N 2 2 228.336 0.021 20 0 BCADLP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)C[C@@H](CO)O1 ZINC000248820721 135022697 /nfs/dbraw/zinc/02/26/97/135022697.db2.gz JETLLFCWFWGGEC-UPJWGTAASA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@@H](CO)O1 ZINC000248820721 135022699 /nfs/dbraw/zinc/02/26/99/135022699.db2.gz JETLLFCWFWGGEC-UPJWGTAASA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@@H](CO)O1 ZINC000248820721 135022700 /nfs/dbraw/zinc/02/27/00/135022700.db2.gz JETLLFCWFWGGEC-UPJWGTAASA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)C[C@@H](CO)O1 ZINC000248820721 135022702 /nfs/dbraw/zinc/02/27/02/135022702.db2.gz JETLLFCWFWGGEC-UPJWGTAASA-N 2 2 242.363 0.552 20 0 BCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000252393045 135087845 /nfs/dbraw/zinc/08/78/45/135087845.db2.gz XQEVGOFTPCKMSZ-HBNTYKKESA-N 2 2 238.335 0.761 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638503 135092189 /nfs/dbraw/zinc/09/21/89/135092189.db2.gz ZUTKRYAWUWRVSK-JTQLQIEISA-N 2 2 229.368 0.818 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638503 135092191 /nfs/dbraw/zinc/09/21/91/135092191.db2.gz ZUTKRYAWUWRVSK-JTQLQIEISA-N 2 2 229.368 0.818 20 0 BCADLP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)nn1 ZINC000252512973 135092299 /nfs/dbraw/zinc/09/22/99/135092299.db2.gz GBGVPSYYVXXTGF-PWSUYJOCSA-N 2 2 235.335 0.532 20 0 BCADLP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)nn1 ZINC000252512973 135092300 /nfs/dbraw/zinc/09/23/00/135092300.db2.gz GBGVPSYYVXXTGF-PWSUYJOCSA-N 2 2 235.335 0.532 20 0 BCADLP c1c[nH+]c(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)[nH]1 ZINC000252668114 135095394 /nfs/dbraw/zinc/09/53/94/135095394.db2.gz SBGUXGWNYLGXLL-QWRGUYRKSA-N 2 2 236.319 0.363 20 0 BCADLP c1c[nH+]c(CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)[nH]1 ZINC000252668114 135095396 /nfs/dbraw/zinc/09/53/96/135095396.db2.gz SBGUXGWNYLGXLL-QWRGUYRKSA-N 2 2 236.319 0.363 20 0 BCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC000252710115 135099129 /nfs/dbraw/zinc/09/91/29/135099129.db2.gz FSJHSJSCZGRDRE-GHMZBOCLSA-N 2 2 248.392 0.351 20 0 BCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC000252710115 135099131 /nfs/dbraw/zinc/09/91/31/135099131.db2.gz FSJHSJSCZGRDRE-GHMZBOCLSA-N 2 2 248.392 0.351 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2)C[N@@H+]1C1CC1 ZINC000252713579 135100334 /nfs/dbraw/zinc/10/03/34/135100334.db2.gz POORYMCQSFNQCL-VWYCJHECSA-N 2 2 237.347 0.480 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2)C[N@H+]1C1CC1 ZINC000252713579 135100335 /nfs/dbraw/zinc/10/03/35/135100335.db2.gz POORYMCQSFNQCL-VWYCJHECSA-N 2 2 237.347 0.480 20 0 BCADLP C[C@H]1C[N@H+](CC(=O)NC(C)(C)C)CC[C@@H]1[NH3+] ZINC000086886668 135100735 /nfs/dbraw/zinc/10/07/35/135100735.db2.gz MLJKJGFCCZGGRS-UWVGGRQHSA-N 2 2 227.352 0.570 20 0 BCADLP C[C@H]1C[N@@H+](CC(=O)NC(C)(C)C)CC[C@@H]1[NH3+] ZINC000086886668 135100738 /nfs/dbraw/zinc/10/07/38/135100738.db2.gz MLJKJGFCCZGGRS-UWVGGRQHSA-N 2 2 227.352 0.570 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2COCCO2)C[N@@H+]1C1CC1 ZINC000252714188 135101822 /nfs/dbraw/zinc/10/18/22/135101822.db2.gz RFZMLKONOITTHU-WZRBSPASSA-N 2 2 240.347 0.617 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2COCCO2)C[N@H+]1C1CC1 ZINC000252714188 135101824 /nfs/dbraw/zinc/10/18/24/135101824.db2.gz RFZMLKONOITTHU-WZRBSPASSA-N 2 2 240.347 0.617 20 0 BCADLP CCCS(=O)(=O)CC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000261533938 135108874 /nfs/dbraw/zinc/10/88/74/135108874.db2.gz LWZZEQQVLQLXPZ-GHMZBOCLSA-N 2 2 248.392 0.480 20 0 BCADLP CCCS(=O)(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000261533938 135108876 /nfs/dbraw/zinc/10/88/76/135108876.db2.gz LWZZEQQVLQLXPZ-GHMZBOCLSA-N 2 2 248.392 0.480 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000261815275 135112463 /nfs/dbraw/zinc/11/24/63/135112463.db2.gz XGZOBCXEFKBEMH-QMMMGPOBSA-N 2 2 208.265 0.086 20 0 BCADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccn(C)n1 ZINC000252890265 135116434 /nfs/dbraw/zinc/11/64/34/135116434.db2.gz GVLFYSNFAOKPCA-CMPLNLGQSA-N 2 2 222.336 0.850 20 0 BCADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccn(C)n1 ZINC000252890265 135116435 /nfs/dbraw/zinc/11/64/35/135116435.db2.gz GVLFYSNFAOKPCA-CMPLNLGQSA-N 2 2 222.336 0.850 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1C[C@H]1C ZINC000252950915 135117542 /nfs/dbraw/zinc/11/75/42/135117542.db2.gz DJPOVVUHYVMXHX-WISYIIOYSA-N 2 2 212.337 0.999 20 0 BCADLP CCn1ncnc1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000253213083 135124959 /nfs/dbraw/zinc/12/49/59/135124959.db2.gz BWJIRUUGZIJAEU-GHMZBOCLSA-N 2 2 237.351 0.728 20 0 BCADLP CCn1ncnc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000253213083 135124960 /nfs/dbraw/zinc/12/49/60/135124960.db2.gz BWJIRUUGZIJAEU-GHMZBOCLSA-N 2 2 237.351 0.728 20 0 BCADLP C[N@@H+](Cc1ccc(F)cc1F)C[C@H](O)C[NH3+] ZINC000259239281 135141340 /nfs/dbraw/zinc/14/13/40/135141340.db2.gz YJBUTYBYXLEYPJ-SNVBAGLBSA-N 2 2 230.258 0.716 20 0 BCADLP C[N@H+](Cc1ccc(F)cc1F)C[C@H](O)C[NH3+] ZINC000259239281 135141341 /nfs/dbraw/zinc/14/13/41/135141341.db2.gz YJBUTYBYXLEYPJ-SNVBAGLBSA-N 2 2 230.258 0.716 20 0 BCADLP C[NH2+]CCC[N@H+](C)CC(=O)N(C)C(C)C ZINC000087472808 135142180 /nfs/dbraw/zinc/14/21/80/135142180.db2.gz MUEIFOBIRPJADG-UHFFFAOYSA-N 2 2 215.341 0.395 20 0 BCADLP C[NH2+]CCC[N@@H+](C)CC(=O)N(C)C(C)C ZINC000087472808 135142181 /nfs/dbraw/zinc/14/21/81/135142181.db2.gz MUEIFOBIRPJADG-UHFFFAOYSA-N 2 2 215.341 0.395 20 0 BCADLP C[NH2+]CCC[N@H+](C)CC(=O)NC(C)C ZINC000087472638 135142438 /nfs/dbraw/zinc/14/24/38/135142438.db2.gz OJOXMTNKGLWGOA-UHFFFAOYSA-N 2 2 201.314 0.052 20 0 BCADLP COC(=O)C(C)(C)C[NH2+][C@@H]1CC[NH2+]C1 ZINC000261529089 135155124 /nfs/dbraw/zinc/15/51/24/135155124.db2.gz OXELAYQGFUKNDO-MRVPVSSYSA-N 2 2 200.282 0.137 20 0 BCADLP Cc1nn(C)c(C)c1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261532386 135162862 /nfs/dbraw/zinc/16/28/62/135162862.db2.gz ARLCNKLEZLEILW-PRHODGIISA-N 2 2 222.336 0.816 20 0 BCADLP Cc1nn(C)c(C)c1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261532386 135162863 /nfs/dbraw/zinc/16/28/63/135162863.db2.gz ARLCNKLEZLEILW-PRHODGIISA-N 2 2 222.336 0.816 20 0 BCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cnn(C)c1 ZINC000261537462 135173739 /nfs/dbraw/zinc/17/37/39/135173739.db2.gz VQYYIHZYJDXTIK-LLVKDONJSA-N 2 2 210.325 0.883 20 0 BCADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000084216431 135192455 /nfs/dbraw/zinc/19/24/55/135192455.db2.gz ZJYCTXMWQYJMGY-RYUDHWBXSA-N 3 2 222.336 0.990 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261556107 135195865 /nfs/dbraw/zinc/19/58/65/135195865.db2.gz QHKZXNWQEFVHSH-TUAOUCFPSA-N 2 2 239.363 0.442 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261556107 135195867 /nfs/dbraw/zinc/19/58/67/135195867.db2.gz QHKZXNWQEFVHSH-TUAOUCFPSA-N 2 2 239.363 0.442 20 0 BCADLP c1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)n[nH]1 ZINC000261555991 135195924 /nfs/dbraw/zinc/19/59/24/135195924.db2.gz VNBGRCRFBVGTQZ-ZJUUUORDSA-N 2 2 206.293 0.451 20 0 BCADLP c1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)n[nH]1 ZINC000261555991 135195926 /nfs/dbraw/zinc/19/59/26/135195926.db2.gz VNBGRCRFBVGTQZ-ZJUUUORDSA-N 2 2 206.293 0.451 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261558855 135199550 /nfs/dbraw/zinc/19/95/50/135199550.db2.gz STXCIIBFCIKYHU-JFGNBEQYSA-N 2 2 237.347 0.337 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261558855 135199551 /nfs/dbraw/zinc/19/95/51/135199551.db2.gz STXCIIBFCIKYHU-JFGNBEQYSA-N 2 2 237.347 0.337 20 0 BCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NCC1CC1 ZINC000261558839 135199691 /nfs/dbraw/zinc/19/96/91/135199691.db2.gz SSWBMRITMXTAQJ-RYUDHWBXSA-N 2 2 237.347 0.054 20 0 BCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NCC1CC1 ZINC000261558839 135199692 /nfs/dbraw/zinc/19/96/92/135199692.db2.gz SSWBMRITMXTAQJ-RYUDHWBXSA-N 2 2 237.347 0.054 20 0 BCADLP C[C@@H]1[C@H](C)[NH2+]CCN1Cc1[nH+]ccn1C ZINC000261560060 135200524 /nfs/dbraw/zinc/20/05/24/135200524.db2.gz ZLNYHNFAZWWFEH-VHSXEESVSA-N 2 2 208.309 0.602 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261561784 135202444 /nfs/dbraw/zinc/20/24/44/135202444.db2.gz AUUQTKGZYOJLJI-GFCCVEGCSA-N 2 2 220.320 0.606 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261561549 135202772 /nfs/dbraw/zinc/20/27/72/135202772.db2.gz ASUDMAJSHJNACP-ZYHUDNBSSA-N 2 2 227.352 0.572 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261561549 135202774 /nfs/dbraw/zinc/20/27/74/135202774.db2.gz ASUDMAJSHJNACP-ZYHUDNBSSA-N 2 2 227.352 0.572 20 0 BCADLP CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261563350 135204928 /nfs/dbraw/zinc/20/49/28/135204928.db2.gz WZDJQVFGBWJUQA-MNOVXSKESA-N 2 2 239.363 0.585 20 0 BCADLP CC(C)(C)NC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261563350 135204930 /nfs/dbraw/zinc/20/49/30/135204930.db2.gz WZDJQVFGBWJUQA-MNOVXSKESA-N 2 2 239.363 0.585 20 0 BCADLP Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)nc[nH+]1 ZINC000261564788 135207188 /nfs/dbraw/zinc/20/71/88/135207188.db2.gz CRGRRCAAMGRUQD-QWRGUYRKSA-N 2 2 218.304 0.831 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000261566087 135207780 /nfs/dbraw/zinc/20/77/80/135207780.db2.gz DHINSFUQBVXLLA-UWVGGRQHSA-N 2 2 208.309 0.969 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000261566087 135207782 /nfs/dbraw/zinc/20/77/82/135207782.db2.gz DHINSFUQBVXLLA-UWVGGRQHSA-N 2 2 208.309 0.969 20 0 BCADLP CCc1nc(N2CCO[C@@H](C[NH3+])C2)cc(C)[nH+]1 ZINC000261567623 135209603 /nfs/dbraw/zinc/20/96/03/135209603.db2.gz ZYRMFPZDBSLLNJ-JTQLQIEISA-N 2 2 236.319 0.511 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](CC[C@@H]2CCOC2)CCO1 ZINC000261570392 135212089 /nfs/dbraw/zinc/21/20/89/135212089.db2.gz GVOXTHDEROKPGD-MNOVXSKESA-N 2 2 214.309 0.073 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](CC[C@@H]2CCOC2)CCO1 ZINC000261570392 135212091 /nfs/dbraw/zinc/21/20/91/135212091.db2.gz GVOXTHDEROKPGD-MNOVXSKESA-N 2 2 214.309 0.073 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261569726 135212572 /nfs/dbraw/zinc/21/25/72/135212572.db2.gz GMRSYLSTDISALX-WDEREUQCSA-N 2 2 225.336 0.052 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261569726 135212573 /nfs/dbraw/zinc/21/25/73/135212573.db2.gz GMRSYLSTDISALX-WDEREUQCSA-N 2 2 225.336 0.052 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000261571000 135213496 /nfs/dbraw/zinc/21/34/96/135213496.db2.gz HHDXANCUEFTQQC-MRVPVSSYSA-N 2 2 226.242 0.723 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000261571000 135213498 /nfs/dbraw/zinc/21/34/98/135213498.db2.gz HHDXANCUEFTQQC-MRVPVSSYSA-N 2 2 226.242 0.723 20 0 BCADLP Cn1nccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261573071 135214492 /nfs/dbraw/zinc/21/44/92/135214492.db2.gz ILRQIIVABZHENV-PWSUYJOCSA-N 2 2 220.320 0.604 20 0 BCADLP Cn1nccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261573071 135214493 /nfs/dbraw/zinc/21/44/93/135214493.db2.gz ILRQIIVABZHENV-PWSUYJOCSA-N 2 2 220.320 0.604 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000261576988 135218351 /nfs/dbraw/zinc/21/83/51/135218351.db2.gz KSGQHELSDCSWGZ-RYUDHWBXSA-N 2 2 220.320 0.461 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000261576988 135218353 /nfs/dbraw/zinc/21/83/53/135218353.db2.gz KSGQHELSDCSWGZ-RYUDHWBXSA-N 2 2 220.320 0.461 20 0 BCADLP [NH3+]CC[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000261577052 135218555 /nfs/dbraw/zinc/21/85/55/135218555.db2.gz KVKOKOVDSJGAQS-ZDUSSCGKSA-N 2 2 220.316 0.927 20 0 BCADLP [NH3+]CC[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000261577052 135218556 /nfs/dbraw/zinc/21/85/56/135218556.db2.gz KVKOKOVDSJGAQS-ZDUSSCGKSA-N 2 2 220.316 0.927 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261579640 135220976 /nfs/dbraw/zinc/22/09/76/135220976.db2.gz MLJMCHNFJKPCBS-LBPRGKRZSA-N 2 2 225.336 0.198 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261579640 135220977 /nfs/dbraw/zinc/22/09/77/135220977.db2.gz MLJMCHNFJKPCBS-LBPRGKRZSA-N 2 2 225.336 0.198 20 0 BCADLP Cn1cnnc1[C@@H]1CCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261581882 135222052 /nfs/dbraw/zinc/22/20/52/135222052.db2.gz QWHCUWWMJVSTQR-WCQYABFASA-N 2 2 249.362 0.952 20 0 BCADLP Cn1cnnc1[C@@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261581882 135222054 /nfs/dbraw/zinc/22/20/54/135222054.db2.gz QWHCUWWMJVSTQR-WCQYABFASA-N 2 2 249.362 0.952 20 0 BCADLP CC(C)CNC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000261586515 135227818 /nfs/dbraw/zinc/22/78/18/135227818.db2.gz RDFHGHAYRNINIG-UHFFFAOYSA-N 2 2 213.325 0.230 20 0 BCADLP Cn1cnnc1[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261591670 135232000 /nfs/dbraw/zinc/23/20/00/135232000.db2.gz XZJFOCFYHPBHDS-NEPJUHHUSA-N 2 2 249.362 0.952 20 0 BCADLP Cn1cnnc1[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261591670 135232001 /nfs/dbraw/zinc/23/20/01/135232001.db2.gz XZJFOCFYHPBHDS-NEPJUHHUSA-N 2 2 249.362 0.952 20 0 BCADLP C[C@@H]1CC[N@H+](Cc2cnn(C)n2)C[C@@H]1C[NH3+] ZINC000261592274 135232862 /nfs/dbraw/zinc/23/28/62/135232862.db2.gz VTGJJLVGQIWJNQ-ZJUUUORDSA-N 2 2 223.324 0.232 20 0 BCADLP C[C@@H]1CC[N@@H+](Cc2cnn(C)n2)C[C@@H]1C[NH3+] ZINC000261592274 135232863 /nfs/dbraw/zinc/23/28/63/135232863.db2.gz VTGJJLVGQIWJNQ-ZJUUUORDSA-N 2 2 223.324 0.232 20 0 BCADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NCC2CC2)C1 ZINC000261592756 135233256 /nfs/dbraw/zinc/23/32/56/135233256.db2.gz WDQJKUISYUOTIY-GFCCVEGCSA-N 2 2 225.336 0.183 20 0 BCADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000261592756 135233257 /nfs/dbraw/zinc/23/32/57/135233257.db2.gz WDQJKUISYUOTIY-GFCCVEGCSA-N 2 2 225.336 0.183 20 0 BCADLP Cc1nn(C)c(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000261594501 135235175 /nfs/dbraw/zinc/23/51/75/135235175.db2.gz XPWXRLBVJUZIBD-JQWIXIFHSA-N 2 2 222.336 0.958 20 0 BCADLP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000261594501 135235177 /nfs/dbraw/zinc/23/51/77/135235177.db2.gz XPWXRLBVJUZIBD-JQWIXIFHSA-N 2 2 222.336 0.958 20 0 BCADLP CCCC(=O)NC[C@@H]1CCC[N@H+](CC[NH3+])C1 ZINC000261595733 135235655 /nfs/dbraw/zinc/23/56/55/135235655.db2.gz YJHYHFIZTZLZID-NSHDSACASA-N 2 2 227.352 0.573 20 0 BCADLP CCCC(=O)NC[C@@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000261595733 135235656 /nfs/dbraw/zinc/23/56/56/135235656.db2.gz YJHYHFIZTZLZID-NSHDSACASA-N 2 2 227.352 0.573 20 0 BCADLP CN(C)c1ncc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC000261649273 135242821 /nfs/dbraw/zinc/24/28/21/135242821.db2.gz DZUDEYMEOTWKHI-CYBMUJFWSA-N 2 2 249.362 0.713 20 0 BCADLP CN(C)c1ncc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC000261649273 135242822 /nfs/dbraw/zinc/24/28/22/135242822.db2.gz DZUDEYMEOTWKHI-CYBMUJFWSA-N 2 2 249.362 0.713 20 0 BCADLP C[C@H]([NH3+])CC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000261677115 135245034 /nfs/dbraw/zinc/24/50/34/135245034.db2.gz BDIZRNGLQCCFJF-JTQLQIEISA-N 2 2 246.314 0.730 20 0 BCADLP O=C([C@@H]1CCC[NH2+]1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000261687833 135245738 /nfs/dbraw/zinc/24/57/38/135245738.db2.gz KMQGAYZKBIMXGF-NSHDSACASA-N 2 2 248.330 0.868 20 0 BCADLP O=C([C@@H]1CCC[NH2+]1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000261687833 135245740 /nfs/dbraw/zinc/24/57/40/135245740.db2.gz KMQGAYZKBIMXGF-NSHDSACASA-N 2 2 248.330 0.868 20 0 BCADLP C[C@@H]([NH3+])CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000261719761 135247402 /nfs/dbraw/zinc/24/74/02/135247402.db2.gz GUSAJNBJCUSHNI-ZJUUUORDSA-N 2 2 236.319 0.853 20 0 BCADLP C[C@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CC(=O)N1C ZINC000261765552 135250889 /nfs/dbraw/zinc/25/08/89/135250889.db2.gz LUVVACOSHFLIDX-JQWIXIFHSA-N 2 2 225.336 0.149 20 0 BCADLP C[C@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC(=O)N1C ZINC000261765552 135250890 /nfs/dbraw/zinc/25/08/90/135250890.db2.gz LUVVACOSHFLIDX-JQWIXIFHSA-N 2 2 225.336 0.149 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000261775906 135251277 /nfs/dbraw/zinc/25/12/77/135251277.db2.gz DZWOKTIJDNOGIG-JTQLQIEISA-N 2 2 240.351 0.260 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000261775906 135251279 /nfs/dbraw/zinc/25/12/79/135251279.db2.gz DZWOKTIJDNOGIG-JTQLQIEISA-N 2 2 240.351 0.260 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000261825834 135256075 /nfs/dbraw/zinc/25/60/75/135256075.db2.gz VANXJZRSOCHZDR-LBPRGKRZSA-N 2 2 227.352 0.572 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000261890684 135261233 /nfs/dbraw/zinc/26/12/33/135261233.db2.gz XKLMIUQHWSNJDQ-AEJSXWLSSA-N 2 2 225.336 0.310 20 0 BCADLP CC(C)([NH3+])C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000261890684 135261236 /nfs/dbraw/zinc/26/12/36/135261236.db2.gz XKLMIUQHWSNJDQ-AEJSXWLSSA-N 2 2 225.336 0.310 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000342415926 135266870 /nfs/dbraw/zinc/26/68/70/135266870.db2.gz OIVBOBYLCXEGGJ-VHSXEESVSA-N 2 2 236.319 0.234 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000342415926 135266871 /nfs/dbraw/zinc/26/68/71/135266871.db2.gz OIVBOBYLCXEGGJ-VHSXEESVSA-N 2 2 236.319 0.234 20 0 BCADLP [NH3+]CC[N@H+](CCO)CCCOc1ccccc1 ZINC000342381472 135269175 /nfs/dbraw/zinc/26/91/75/135269175.db2.gz FDVCNNANQPCDOY-UHFFFAOYSA-N 2 2 238.331 0.709 20 0 BCADLP [NH3+]CC[N@@H+](CCO)CCCOc1ccccc1 ZINC000342381472 135269177 /nfs/dbraw/zinc/26/91/77/135269177.db2.gz FDVCNNANQPCDOY-UHFFFAOYSA-N 2 2 238.331 0.709 20 0 BCADLP C[C@]1(C[NH+]2CCN(CC(F)F)CC2)CC[NH2+]C1 ZINC000261988115 135269427 /nfs/dbraw/zinc/26/94/27/135269427.db2.gz KADHAVLJVDSLBV-LBPRGKRZSA-N 2 2 247.333 0.869 20 0 BCADLP CCC[C@@H]1C(=O)NCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262079554 135277767 /nfs/dbraw/zinc/27/77/67/135277767.db2.gz SWJLFLYZUJZAFK-YPMHNXCESA-N 2 2 239.363 0.587 20 0 BCADLP CCC[C@@H]1C(=O)NCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262079554 135277769 /nfs/dbraw/zinc/27/77/69/135277769.db2.gz SWJLFLYZUJZAFK-YPMHNXCESA-N 2 2 239.363 0.587 20 0 BCADLP Cc1cnc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000262101701 135278969 /nfs/dbraw/zinc/27/89/69/135278969.db2.gz VPCKDPWFJNUZRC-CYBMUJFWSA-N 2 2 232.331 0.970 20 0 BCADLP Cc1cnc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000262101701 135278971 /nfs/dbraw/zinc/27/89/71/135278971.db2.gz VPCKDPWFJNUZRC-CYBMUJFWSA-N 2 2 232.331 0.970 20 0 BCADLP O=C(C1C[NH2+]C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000262152889 135282404 /nfs/dbraw/zinc/28/24/04/135282404.db2.gz AAFKKRAQNRNZAI-UHFFFAOYSA-N 2 2 234.303 0.266 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000342546779 135287018 /nfs/dbraw/zinc/28/70/18/135287018.db2.gz KSLHIUNWFPGEIP-DTWKUNHWSA-N 2 2 222.292 0.224 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000342546779 135287020 /nfs/dbraw/zinc/28/70/20/135287020.db2.gz KSLHIUNWFPGEIP-DTWKUNHWSA-N 2 2 222.292 0.224 20 0 BCADLP Cc1c[nH+]c(CN2CCC[N@H+](C)CC2)n1C ZINC000342795602 135319763 /nfs/dbraw/zinc/31/97/63/135319763.db2.gz XPHCKEKRUIURNL-UHFFFAOYSA-N 2 2 222.336 0.866 20 0 BCADLP Cc1c[nH+]c(CN2CCC[N@@H+](C)CC2)n1C ZINC000342795602 135319764 /nfs/dbraw/zinc/31/97/64/135319764.db2.gz XPHCKEKRUIURNL-UHFFFAOYSA-N 2 2 222.336 0.866 20 0 BCADLP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262992643 135325895 /nfs/dbraw/zinc/32/58/95/135325895.db2.gz NWEVABSYTRRWIG-DTWKUNHWSA-N 2 2 247.289 0.052 20 0 BCADLP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262992643 135325897 /nfs/dbraw/zinc/32/58/97/135325897.db2.gz NWEVABSYTRRWIG-DTWKUNHWSA-N 2 2 247.289 0.052 20 0 BCADLP Cn1nccc1[C@H]1CCC[N@H+](CC[NH3+])C1 ZINC000263084552 135332224 /nfs/dbraw/zinc/33/22/24/135332224.db2.gz XUUCNSPUKFVDDA-JTQLQIEISA-N 2 2 208.309 0.558 20 0 BCADLP Cn1nccc1[C@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000263084552 135332225 /nfs/dbraw/zinc/33/22/25/135332225.db2.gz XUUCNSPUKFVDDA-JTQLQIEISA-N 2 2 208.309 0.558 20 0 BCADLP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263170316 135337413 /nfs/dbraw/zinc/33/74/13/135337413.db2.gz FQRUFNUPZULFLO-RKDXNWHRSA-N 2 2 247.289 0.146 20 0 BCADLP C[C@H]1CC[N@H+](CCn2cc[nH+]c2)C[C@H]1O ZINC000299891450 135380722 /nfs/dbraw/zinc/38/07/22/135380722.db2.gz TWQKIGGHFHTAIK-WDEREUQCSA-N 2 2 209.293 0.586 20 0 BCADLP C[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C[C@H]1O ZINC000299891450 135380723 /nfs/dbraw/zinc/38/07/23/135380723.db2.gz TWQKIGGHFHTAIK-WDEREUQCSA-N 2 2 209.293 0.586 20 0 BCADLP C[C@H]1C[N@@H+](C2CC[NH+](CCO)CC2)CCO1 ZINC000081671489 135388674 /nfs/dbraw/zinc/38/86/74/135388674.db2.gz LVTNSNNHUNDHPE-NSHDSACASA-N 2 2 228.336 0.164 20 0 BCADLP C[C@H]1C[N@H+](C2CC[NH+](CCO)CC2)CCO1 ZINC000081671489 135388676 /nfs/dbraw/zinc/38/86/76/135388676.db2.gz LVTNSNNHUNDHPE-NSHDSACASA-N 2 2 228.336 0.164 20 0 BCADLP Cc1cc(NC(=O)N[C@@H](C)[C@@H](C)[NH3+])cc[nH+]1 ZINC000334826822 135815651 /nfs/dbraw/zinc/81/56/51/135815651.db2.gz XHYXNMULGNTLBI-BDAKNGLRSA-N 2 2 222.292 0.669 20 0 BCADLP Cc1cc(NC(=O)N[C@H](C)C[NH3+])cc[nH+]1 ZINC000334823369 135833469 /nfs/dbraw/zinc/83/34/69/135833469.db2.gz HPVQKJLHWUDZTL-MRVPVSSYSA-N 2 2 208.265 0.281 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c[nH+]1 ZINC000335013230 135877109 /nfs/dbraw/zinc/87/71/09/135877109.db2.gz APFSWGNIXCQTTE-RKDXNWHRSA-N 2 2 222.292 0.718 20 0 BCADLP Cn1cc([C@@H]2C[N@H+](CC3CCC3)C[C@H]2[NH3+])cn1 ZINC000335281870 136000010 /nfs/dbraw/zinc/00/00/10/136000010.db2.gz XQLSFMXKFCIFDA-QWHCGFSZSA-N 2 2 234.347 0.947 20 0 BCADLP Cn1cc([C@@H]2C[N@@H+](CC3CCC3)C[C@H]2[NH3+])cn1 ZINC000335281870 136000011 /nfs/dbraw/zinc/00/00/11/136000011.db2.gz XQLSFMXKFCIFDA-QWHCGFSZSA-N 2 2 234.347 0.947 20 0 BCADLP Cc1ccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])c(C)[nH+]1 ZINC000335283778 136001730 /nfs/dbraw/zinc/00/17/30/136001730.db2.gz TVGYHHNJUISGMU-BDAKNGLRSA-N 2 2 205.261 0.984 20 0 BCADLP C[C@@H](C[S@](C)=O)[N@H+](C)CCc1c[nH+]cn1C ZINC000347797331 136010814 /nfs/dbraw/zinc/01/08/14/136010814.db2.gz YJCJCTQDYALESF-QFYYESIMSA-N 2 2 243.376 0.661 20 0 BCADLP C[C@@H](C[S@](C)=O)[N@@H+](C)CCc1c[nH+]cn1C ZINC000347797331 136010815 /nfs/dbraw/zinc/01/08/15/136010815.db2.gz YJCJCTQDYALESF-QFYYESIMSA-N 2 2 243.376 0.661 20 0 BCADLP CN(C)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000335317297 136025454 /nfs/dbraw/zinc/02/54/54/136025454.db2.gz SLPQVUAXHCDIPV-FOSCPWQOSA-N 2 2 239.363 0.632 20 0 BCADLP CN(C)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000335317297 136025455 /nfs/dbraw/zinc/02/54/55/136025455.db2.gz SLPQVUAXHCDIPV-FOSCPWQOSA-N 2 2 239.363 0.632 20 0 BCADLP CN(C)C(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000335317297 136025456 /nfs/dbraw/zinc/02/54/56/136025456.db2.gz SLPQVUAXHCDIPV-FOSCPWQOSA-N 2 2 239.363 0.632 20 0 BCADLP CN(C)C(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000335317297 136025457 /nfs/dbraw/zinc/02/54/57/136025457.db2.gz SLPQVUAXHCDIPV-FOSCPWQOSA-N 2 2 239.363 0.632 20 0 BCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CC1(C)C ZINC000335323447 136050805 /nfs/dbraw/zinc/05/08/05/136050805.db2.gz WTZGSQJCFVECLL-NSHDSACASA-N 2 2 239.363 0.491 20 0 BCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CC1(C)C ZINC000335323447 136050806 /nfs/dbraw/zinc/05/08/06/136050806.db2.gz WTZGSQJCFVECLL-NSHDSACASA-N 2 2 239.363 0.491 20 0 BCADLP CC(=O)NC1CCC([NH2+][C@H](C)C[NH+](C)C)CC1 ZINC000348273731 136058530 /nfs/dbraw/zinc/05/85/30/136058530.db2.gz KZCJDUDKWUSHHH-QFWMXSHPSA-N 2 2 241.379 0.973 20 0 BCADLP C[N@H+]([C@H]1CCOC1)C1CC[NH+](CCO)CC1 ZINC000348274247 136058563 /nfs/dbraw/zinc/05/85/63/136058563.db2.gz GZWVADHIJXWGGZ-LBPRGKRZSA-N 2 2 228.336 0.164 20 0 BCADLP C[N@@H+]([C@H]1CCOC1)C1CC[NH+](CCO)CC1 ZINC000348274247 136058564 /nfs/dbraw/zinc/05/85/64/136058564.db2.gz GZWVADHIJXWGGZ-LBPRGKRZSA-N 2 2 228.336 0.164 20 0 BCADLP COCC[C@H](C)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166128550 136076946 /nfs/dbraw/zinc/07/69/46/136076946.db2.gz LFFHYVXNAQGHMG-QJPTWQEYSA-N 2 2 230.352 0.768 20 0 BCADLP Cc1n[nH]cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000335372010 136083852 /nfs/dbraw/zinc/08/38/52/136083852.db2.gz VCYHTNLZBDDXEC-CMPLNLGQSA-N 2 2 220.320 0.759 20 0 BCADLP Cc1n[nH]cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000335372010 136083853 /nfs/dbraw/zinc/08/38/53/136083853.db2.gz VCYHTNLZBDDXEC-CMPLNLGQSA-N 2 2 220.320 0.759 20 0 BCADLP CC(C)OCC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166150119 136088213 /nfs/dbraw/zinc/08/82/13/136088213.db2.gz UKOVYHGESUMODJ-NWDGAFQWSA-N 2 2 230.352 0.768 20 0 BCADLP Cc1cc(C2CC[NH+](CC[NH3+])CC2)n[nH]1 ZINC000335393342 136091866 /nfs/dbraw/zinc/09/18/66/136091866.db2.gz AXKNEVYYAANIQC-UHFFFAOYSA-N 2 2 208.309 0.856 20 0 BCADLP Cc1cc(C2CC[NH+](CC[NH3+])CC2)[nH]n1 ZINC000335393342 136091867 /nfs/dbraw/zinc/09/18/67/136091867.db2.gz AXKNEVYYAANIQC-UHFFFAOYSA-N 2 2 208.309 0.856 20 0 BCADLP C[C@H]([NH3+])C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000335396327 136092411 /nfs/dbraw/zinc/09/24/11/136092411.db2.gz OTMOGFOVLWVFKQ-NSHDSACASA-N 2 2 239.363 0.811 20 0 BCADLP C[NH+](C)C1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000335553641 136098642 /nfs/dbraw/zinc/09/86/42/136098642.db2.gz ORKUTICMUITOAD-JTQLQIEISA-N 2 2 248.330 0.218 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335569703 136108552 /nfs/dbraw/zinc/10/85/52/136108552.db2.gz AJKSPUAAPHHFRA-ZDUSSCGKSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335569703 136108553 /nfs/dbraw/zinc/10/85/53/136108553.db2.gz AJKSPUAAPHHFRA-ZDUSSCGKSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1cncc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335569703 136108554 /nfs/dbraw/zinc/10/85/54/136108554.db2.gz AJKSPUAAPHHFRA-ZDUSSCGKSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1cncc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335569703 136108555 /nfs/dbraw/zinc/10/85/55/136108555.db2.gz AJKSPUAAPHHFRA-ZDUSSCGKSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1cncc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335569703 136108556 /nfs/dbraw/zinc/10/85/56/136108556.db2.gz AJKSPUAAPHHFRA-ZDUSSCGKSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1cncc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335569703 136108557 /nfs/dbraw/zinc/10/85/57/136108557.db2.gz AJKSPUAAPHHFRA-ZDUSSCGKSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335569702 136108745 /nfs/dbraw/zinc/10/87/45/136108745.db2.gz AJKSPUAAPHHFRA-CYBMUJFWSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335569702 136108746 /nfs/dbraw/zinc/10/87/46/136108746.db2.gz AJKSPUAAPHHFRA-CYBMUJFWSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1cncc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335569702 136108747 /nfs/dbraw/zinc/10/87/47/136108747.db2.gz AJKSPUAAPHHFRA-CYBMUJFWSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1cncc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335569702 136108748 /nfs/dbraw/zinc/10/87/48/136108748.db2.gz AJKSPUAAPHHFRA-CYBMUJFWSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1cncc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335569702 136108749 /nfs/dbraw/zinc/10/87/49/136108749.db2.gz AJKSPUAAPHHFRA-CYBMUJFWSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1cncc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335569702 136108750 /nfs/dbraw/zinc/10/87/50/136108750.db2.gz AJKSPUAAPHHFRA-CYBMUJFWSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cn1 ZINC000335570449 136109095 /nfs/dbraw/zinc/10/90/95/136109095.db2.gz SRYXJWROGSCGBI-ZDUSSCGKSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cn1 ZINC000335570449 136109096 /nfs/dbraw/zinc/10/90/96/136109096.db2.gz SRYXJWROGSCGBI-ZDUSSCGKSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cn1 ZINC000335570449 136109097 /nfs/dbraw/zinc/10/90/97/136109097.db2.gz SRYXJWROGSCGBI-ZDUSSCGKSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cn1 ZINC000335570449 136109098 /nfs/dbraw/zinc/10/90/98/136109098.db2.gz SRYXJWROGSCGBI-ZDUSSCGKSA-N 2 2 234.347 0.948 20 0 BCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn[nH]c1 ZINC000590073760 397816066 /nfs/dbraw/zinc/81/60/66/397816066.db2.gz MNSSXKUJVDQAMM-GFCCVEGCSA-N 2 2 238.335 0.610 20 0 BCADLP O=C1OCC[C@@H]1[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266890203 397939280 /nfs/dbraw/zinc/93/92/80/397939280.db2.gz CQSKLBXXXFOUCA-ZJUUUORDSA-N 2 2 235.287 0.905 20 0 BCADLP O=C1OCC[C@@H]1[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266890203 397939285 /nfs/dbraw/zinc/93/92/85/397939285.db2.gz CQSKLBXXXFOUCA-ZJUUUORDSA-N 2 2 235.287 0.905 20 0 BCADLP COC[C@@](C)(CCO)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000649550425 397943211 /nfs/dbraw/zinc/94/32/11/397943211.db2.gz NBMWHTLOQGANFH-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP COC[C@@](C)(CCO)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000649550425 397943219 /nfs/dbraw/zinc/94/32/19/397943219.db2.gz NBMWHTLOQGANFH-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)[C@@H](C)O1 ZINC000643538409 397918608 /nfs/dbraw/zinc/91/86/08/397918608.db2.gz JSRDIAKIUHTRSR-SAVGLBRCSA-N 2 2 216.300 0.842 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CCCO1 ZINC000643538199 397919707 /nfs/dbraw/zinc/91/97/07/397919707.db2.gz AYAUSTVYSAGLGT-VPOLOUISSA-N 2 2 216.300 0.844 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000649629547 398010338 /nfs/dbraw/zinc/01/03/38/398010338.db2.gz JELZAEAVBISUKP-JHJVBQTASA-N 2 2 242.363 0.458 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000649629547 398010341 /nfs/dbraw/zinc/01/03/41/398010341.db2.gz JELZAEAVBISUKP-JHJVBQTASA-N 2 2 242.363 0.458 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000373106206 398012336 /nfs/dbraw/zinc/01/23/36/398012336.db2.gz GNGABPRGXIHRGN-WDEREUQCSA-N 2 2 249.314 0.915 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000373106206 398012339 /nfs/dbraw/zinc/01/23/39/398012339.db2.gz GNGABPRGXIHRGN-WDEREUQCSA-N 2 2 249.314 0.915 20 0 BCADLP Cn1cncc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282033 398050084 /nfs/dbraw/zinc/05/00/84/398050084.db2.gz SNDVSAPUDAHQLG-AOOOYVTPSA-N 2 2 206.293 0.071 20 0 BCADLP Cn1cncc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282033 398050086 /nfs/dbraw/zinc/05/00/86/398050086.db2.gz SNDVSAPUDAHQLG-AOOOYVTPSA-N 2 2 206.293 0.071 20 0 BCADLP Cn1c[nH+]cc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282033 398050088 /nfs/dbraw/zinc/05/00/88/398050088.db2.gz SNDVSAPUDAHQLG-AOOOYVTPSA-N 2 2 206.293 0.071 20 0 BCADLP CC[C@@](C)([NH3+])c1cn(CCn2cc[nH+]c2)nn1 ZINC000384123065 398065625 /nfs/dbraw/zinc/06/56/25/398065625.db2.gz ALCFVBVCHZISLB-LLVKDONJSA-N 2 2 234.307 0.759 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)C1(CO)CC1 ZINC000285648535 398079838 /nfs/dbraw/zinc/07/98/38/398079838.db2.gz YFAIHTSNGAKCHH-UHFFFAOYSA-N 2 2 209.293 0.730 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)C1(CO)CC1 ZINC000285648535 398079844 /nfs/dbraw/zinc/07/98/44/398079844.db2.gz YFAIHTSNGAKCHH-UHFFFAOYSA-N 2 2 209.293 0.730 20 0 BCADLP Cn1cncc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000086637151 398056273 /nfs/dbraw/zinc/05/62/73/398056273.db2.gz CAFFEJGWUROSHU-UHFFFAOYSA-N 2 2 210.325 0.837 20 0 BCADLP Cn1cncc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086637151 398056276 /nfs/dbraw/zinc/05/62/76/398056276.db2.gz CAFFEJGWUROSHU-UHFFFAOYSA-N 2 2 210.325 0.837 20 0 BCADLP CN(Cc1c[nH+]cn1C)CC(C)(C)C[NH3+] ZINC000086637151 398056281 /nfs/dbraw/zinc/05/62/81/398056281.db2.gz CAFFEJGWUROSHU-UHFFFAOYSA-N 2 2 210.325 0.837 20 0 BCADLP Cn1nccc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000086637154 398056537 /nfs/dbraw/zinc/05/65/37/398056537.db2.gz AEEGUMVRXBKKCH-UHFFFAOYSA-N 2 2 210.325 0.837 20 0 BCADLP Cn1nccc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086637154 398056540 /nfs/dbraw/zinc/05/65/40/398056540.db2.gz AEEGUMVRXBKKCH-UHFFFAOYSA-N 2 2 210.325 0.837 20 0 BCADLP Nc1cccc(C[N@@H+]2CCO[C@H](C[NH3+])C2)c1 ZINC000569341257 398105576 /nfs/dbraw/zinc/10/55/76/398105576.db2.gz MGNNRXNPERPQND-GFCCVEGCSA-N 2 2 221.304 0.428 20 0 BCADLP Nc1cccc(C[N@H+]2CCO[C@H](C[NH3+])C2)c1 ZINC000569341257 398105581 /nfs/dbraw/zinc/10/55/81/398105581.db2.gz MGNNRXNPERPQND-GFCCVEGCSA-N 2 2 221.304 0.428 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000389524916 398110195 /nfs/dbraw/zinc/11/01/95/398110195.db2.gz HPBWBZGOUYEZKC-WDEREUQCSA-N 2 2 225.336 0.339 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000389524916 398110197 /nfs/dbraw/zinc/11/01/97/398110197.db2.gz HPBWBZGOUYEZKC-WDEREUQCSA-N 2 2 225.336 0.339 20 0 BCADLP C[C@@H]1C[C@H](O)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000314638130 398110909 /nfs/dbraw/zinc/11/09/09/398110909.db2.gz UNLTZQONBQVSLW-PWSUYJOCSA-N 2 2 223.320 0.808 20 0 BCADLP C[C@@H]1C[C@H](O)C[N@H+]1CCCc1c[nH+]cn1C ZINC000314638130 398110913 /nfs/dbraw/zinc/11/09/13/398110913.db2.gz UNLTZQONBQVSLW-PWSUYJOCSA-N 2 2 223.320 0.808 20 0 BCADLP CCn1nccc1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000414932456 398111822 /nfs/dbraw/zinc/11/18/22/398111822.db2.gz RCUPVRIORXUBAZ-JQWIXIFHSA-N 2 2 222.336 0.991 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000376099143 167052869 /nfs/dbraw/zinc/05/28/69/167052869.db2.gz XFFHWTQOEHJPMY-LBPRGKRZSA-N 2 2 241.379 0.927 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000376099143 167052870 /nfs/dbraw/zinc/05/28/70/167052870.db2.gz XFFHWTQOEHJPMY-LBPRGKRZSA-N 2 2 241.379 0.927 20 0 BCADLP CC(C)NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000309747724 167060480 /nfs/dbraw/zinc/06/04/80/167060480.db2.gz GASRPVGVFAYVQL-NSHDSACASA-N 2 2 215.341 0.474 20 0 BCADLP [NH3+]C1(CC(=O)NCCn2cc[nH+]c2)CCC1 ZINC000086853448 487566341 /nfs/dbraw/zinc/56/63/41/487566341.db2.gz YNPWSZRPSWCKHR-UHFFFAOYSA-N 2 2 222.292 0.271 20 0 BCADLP CC[C@H](Cn1cncn1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000685645218 487569539 /nfs/dbraw/zinc/56/95/39/487569539.db2.gz BTULDUWDNDRJEA-NEPJUHHUSA-N 2 2 237.351 0.741 20 0 BCADLP CC[C@H](Cn1cncn1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000685645218 487569541 /nfs/dbraw/zinc/56/95/41/487569541.db2.gz BTULDUWDNDRJEA-NEPJUHHUSA-N 2 2 237.351 0.741 20 0 BCADLP CC[NH+](CC)CCC[N@H+](C)CCC[NH3+] ZINC000238238857 487570802 /nfs/dbraw/zinc/57/08/02/487570802.db2.gz KRFFEFDMVTUSEO-UHFFFAOYSA-N 3 2 201.358 0.999 20 0 BCADLP CC[NH+](CC)CCC[N@@H+](C)CCC[NH3+] ZINC000238238857 487570810 /nfs/dbraw/zinc/57/08/10/487570810.db2.gz KRFFEFDMVTUSEO-UHFFFAOYSA-N 3 2 201.358 0.999 20 0 BCADLP C[C@@H](C[NH2+]Cc1cnnn1C)Cn1cc[nH+]c1 ZINC000530952776 322899577 /nfs/dbraw/zinc/89/95/77/322899577.db2.gz KSVHPOQDMBZYMV-JTQLQIEISA-N 2 2 234.307 0.438 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)CS1 ZINC000086936044 487587372 /nfs/dbraw/zinc/58/73/72/487587372.db2.gz KLESITKRKPYQMH-GRYCIOLGSA-N 2 2 243.420 0.716 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)CS1 ZINC000086936044 487587376 /nfs/dbraw/zinc/58/73/76/487587376.db2.gz KLESITKRKPYQMH-GRYCIOLGSA-N 2 2 243.420 0.716 20 0 BCADLP C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1[nH+]ccn1C ZINC000082280843 487588232 /nfs/dbraw/zinc/58/82/32/487588232.db2.gz KRRCZPVAPGCGOU-NXEZZACHSA-N 2 2 236.319 0.597 20 0 BCADLP CC(C)OC[C@H](O)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000049235166 167269874 /nfs/dbraw/zinc/26/98/74/167269874.db2.gz SNFZXWRMZBMQRP-VXGBXAGGSA-N 2 2 241.335 0.647 20 0 BCADLP CC1(C)CC[NH2+][C@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000662410673 487602140 /nfs/dbraw/zinc/60/21/40/487602140.db2.gz CGQYAJUGHWJMSC-JTQLQIEISA-N 2 2 234.303 0.990 20 0 BCADLP CCOC[C@@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662257578 409555405 /nfs/dbraw/zinc/55/54/05/409555405.db2.gz DWEOYXXQJSDJSH-VXGBXAGGSA-N 2 2 228.336 0.333 20 0 BCADLP CCOC[C@@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662257578 409555411 /nfs/dbraw/zinc/55/54/11/409555411.db2.gz DWEOYXXQJSDJSH-VXGBXAGGSA-N 2 2 228.336 0.333 20 0 BCADLP CN1CCC[C@@H]([NH2+]CC2([NH3+])CCC2)C1=O ZINC000662265100 409560523 /nfs/dbraw/zinc/56/05/23/409560523.db2.gz FWAYFGWXWONXAA-SECBINFHSA-N 2 2 211.309 0.078 20 0 BCADLP Cc1cc(C[NH2+]CC2([NH3+])CCC2)ncn1 ZINC000662266229 409563508 /nfs/dbraw/zinc/56/35/08/409563508.db2.gz KWPMNOSDKKUFSB-UHFFFAOYSA-N 2 2 206.293 0.756 20 0 BCADLP Cc1nnc([C@H](C)[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)[nH]1 ZINC000662266283 409564028 /nfs/dbraw/zinc/56/40/28/409564028.db2.gz LDFLGRNVVUBTLL-WEDXCCLWSA-N 2 2 223.324 0.843 20 0 BCADLP Cc1nnc([C@H](C)[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)[nH]1 ZINC000662266283 409564037 /nfs/dbraw/zinc/56/40/37/409564037.db2.gz LDFLGRNVVUBTLL-WEDXCCLWSA-N 2 2 223.324 0.843 20 0 BCADLP Cc1nnc([C@H](C)[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)[nH]1 ZINC000662266281 409565721 /nfs/dbraw/zinc/56/57/21/409565721.db2.gz LDFLGRNVVUBTLL-OYNCUSHFSA-N 2 2 223.324 0.843 20 0 BCADLP Cc1nnc([C@H](C)[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)[nH]1 ZINC000662266281 409565730 /nfs/dbraw/zinc/56/57/30/409565730.db2.gz LDFLGRNVVUBTLL-OYNCUSHFSA-N 2 2 223.324 0.843 20 0 BCADLP C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653088867 409618369 /nfs/dbraw/zinc/61/83/69/409618369.db2.gz PNYPCLZWFFWNNL-ZJUUUORDSA-N 2 2 213.325 0.276 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC(C)(C)C1 ZINC000653088784 409619199 /nfs/dbraw/zinc/61/91/99/409619199.db2.gz LZQHJXAGKGMLHJ-JTQLQIEISA-N 2 2 227.352 0.524 20 0 BCADLP CCC1(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCC1 ZINC000653089713 409623284 /nfs/dbraw/zinc/62/32/84/409623284.db2.gz RKBUGAVBNZPHDO-NSHDSACASA-N 2 2 241.379 0.962 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)CC[C@@H]1[NH3+] ZINC000662270762 409572343 /nfs/dbraw/zinc/57/23/43/409572343.db2.gz MWJJVOMOZOFUFA-WOPDTQHZSA-N 3 2 227.352 0.034 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)CC[C@@H]1[NH3+] ZINC000662270762 409572350 /nfs/dbraw/zinc/57/23/50/409572350.db2.gz MWJJVOMOZOFUFA-WOPDTQHZSA-N 3 2 227.352 0.034 20 0 BCADLP CC[C@H](C)[C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653076829 409589819 /nfs/dbraw/zinc/58/98/19/409589819.db2.gz GMWGRGMPBRBISE-AXFHLTTASA-N 2 2 229.368 0.816 20 0 BCADLP C[C@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653077567 409593917 /nfs/dbraw/zinc/59/39/17/409593917.db2.gz CUSRVLZRKOJHRZ-UWVGGRQHSA-N 2 2 213.325 0.134 20 0 BCADLP CN(CC1CCCC1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653081569 409599545 /nfs/dbraw/zinc/59/95/45/409599545.db2.gz SXFLDVLSBFBWJW-LBPRGKRZSA-N 2 2 241.379 0.914 20 0 BCADLP CCO[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1C[NH3+] ZINC000662283622 409614887 /nfs/dbraw/zinc/61/48/87/409614887.db2.gz BVXWTGQTYBSIDF-ZYHUDNBSSA-N 2 2 239.319 0.779 20 0 BCADLP CCO[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1C[NH3+] ZINC000662283622 409614893 /nfs/dbraw/zinc/61/48/93/409614893.db2.gz BVXWTGQTYBSIDF-ZYHUDNBSSA-N 2 2 239.319 0.779 20 0 BCADLP COC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000653095198 409707233 /nfs/dbraw/zinc/70/72/33/409707233.db2.gz CXSZOXVMSHIKLT-WDEREUQCSA-N 2 2 245.367 0.053 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCS1 ZINC000653092336 409675911 /nfs/dbraw/zinc/67/59/11/409675911.db2.gz ZJEYZUYMLKSUQE-VHSXEESVSA-N 2 2 245.392 0.277 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1(C2CC2)CC1 ZINC000653092149 409676256 /nfs/dbraw/zinc/67/62/56/409676256.db2.gz SVULQFGIQFUMOK-SNVBAGLBSA-N 2 2 225.336 0.324 20 0 BCADLP CO[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000653099166 409738110 /nfs/dbraw/zinc/73/81/10/409738110.db2.gz HKKMRELQKFHBDP-GHMZBOCLSA-N 2 2 245.367 0.053 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662586358 409772056 /nfs/dbraw/zinc/77/20/56/409772056.db2.gz SQDXHRBHMMFBBZ-JGVFFNPUSA-N 2 2 210.281 0.351 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662586358 409772059 /nfs/dbraw/zinc/77/20/59/409772059.db2.gz SQDXHRBHMMFBBZ-JGVFFNPUSA-N 2 2 210.281 0.351 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000662586727 409772363 /nfs/dbraw/zinc/77/23/63/409772363.db2.gz XYGFKIVTVBRSON-NSHDSACASA-N 2 2 222.292 0.368 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000662586727 409772367 /nfs/dbraw/zinc/77/23/67/409772367.db2.gz XYGFKIVTVBRSON-NSHDSACASA-N 2 2 222.292 0.368 20 0 BCADLP CC[C@@H]1CCC[C@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653100823 409779988 /nfs/dbraw/zinc/77/99/88/409779988.db2.gz ZWCDJXBTQDHETP-IJLUTSLNSA-N 2 2 241.379 0.960 20 0 BCADLP CN(Cc1ccco1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653125625 409835381 /nfs/dbraw/zinc/83/53/81/409835381.db2.gz JVTFVBIRQNGVDV-NSHDSACASA-N 2 2 239.319 0.517 20 0 BCADLP C[C@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)Cn1cc[nH+]c1 ZINC000662688532 409836734 /nfs/dbraw/zinc/83/67/34/409836734.db2.gz PQEDOAFDRBIYFP-GMTAPVOTSA-N 2 2 236.319 0.373 20 0 BCADLP CN(Cc1ccco1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653125624 409836890 /nfs/dbraw/zinc/83/68/90/409836890.db2.gz JVTFVBIRQNGVDV-LLVKDONJSA-N 2 2 239.319 0.517 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccccc1O ZINC000653130050 409844358 /nfs/dbraw/zinc/84/43/58/409844358.db2.gz SUTOPLZNDDOFSR-VIFPVBQESA-N 2 2 237.303 0.610 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCCC1 ZINC000653104236 409797292 /nfs/dbraw/zinc/79/72/92/409797292.db2.gz CPQRFXODYZYMDU-SNVBAGLBSA-N 2 2 213.325 0.278 20 0 BCADLP O=C(NCCn1cc[nH+]c1)[C@H]1CCC[NH2+]CC1 ZINC000653106252 409801633 /nfs/dbraw/zinc/80/16/33/409801633.db2.gz YMGOWGIQGITMLR-NSHDSACASA-N 2 2 236.319 0.389 20 0 BCADLP Cc1ncccc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653108249 409810964 /nfs/dbraw/zinc/81/09/64/409810964.db2.gz OWZIMJJGCFJFRI-JTQLQIEISA-N 2 2 236.319 0.608 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H](C)C[NH3+] ZINC000662899287 409972758 /nfs/dbraw/zinc/97/27/58/409972758.db2.gz FYEGGLZCPMBSCO-DTWKUNHWSA-N 2 2 224.308 0.675 20 0 BCADLP C[C@H](NC(=O)c1coc(C[NH3+])c1)c1[nH+]ccn1C ZINC000662934303 409981072 /nfs/dbraw/zinc/98/10/72/409981072.db2.gz MYGKDOVHJPUSFT-QMMMGPOBSA-N 2 2 248.286 0.963 20 0 BCADLP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000655412195 410216300 /nfs/dbraw/zinc/21/63/00/410216300.db2.gz NQYJZGJTHOFPQX-MNOVXSKESA-N 2 2 248.330 0.266 20 0 BCADLP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655414210 410219227 /nfs/dbraw/zinc/21/92/27/410219227.db2.gz ONCLSBONKNMGAA-QWRGUYRKSA-N 2 2 248.330 0.266 20 0 BCADLP CCNC(=O)C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000043493564 410192126 /nfs/dbraw/zinc/19/21/26/410192126.db2.gz XBAQCYLLNPIAOF-JTQLQIEISA-N 2 2 213.325 0.054 20 0 BCADLP CCNC(=O)C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000043493564 410192135 /nfs/dbraw/zinc/19/21/35/410192135.db2.gz XBAQCYLLNPIAOF-JTQLQIEISA-N 2 2 213.325 0.054 20 0 BCADLP [NH3+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000655415748 410221811 /nfs/dbraw/zinc/22/18/11/410221811.db2.gz DTVYQGROHHDCIQ-ZJUUUORDSA-N 2 2 234.303 0.005 20 0 BCADLP [NH3+]CCC[N@@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000650709495 410339849 /nfs/dbraw/zinc/33/98/49/410339849.db2.gz BPGDFWVEUHBJQM-UHFFFAOYSA-N 2 2 235.335 0.395 20 0 BCADLP [NH3+]CCC[N@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000650709495 410339853 /nfs/dbraw/zinc/33/98/53/410339853.db2.gz BPGDFWVEUHBJQM-UHFFFAOYSA-N 2 2 235.335 0.395 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650747563 410386745 /nfs/dbraw/zinc/38/67/45/410386745.db2.gz CJUSWFGHBIDXKW-NEPJUHHUSA-N 3 2 241.379 0.472 20 0 BCADLP [NH3+]Cc1cccc(NC(=O)[C@H]2CSC[NH2+]2)c1 ZINC000130082752 410392370 /nfs/dbraw/zinc/39/23/70/410392370.db2.gz GUCCADXPLDZKDR-SNVBAGLBSA-N 2 2 237.328 0.746 20 0 BCADLP Cn1cc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])nn1 ZINC000650759667 410408100 /nfs/dbraw/zinc/40/81/00/410408100.db2.gz NUMZUDTYYKIUGS-GHMZBOCLSA-N 2 2 223.324 0.565 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650764298 410414218 /nfs/dbraw/zinc/41/42/18/410414218.db2.gz VLDVBSSKJDTIRM-AAEUAGOBSA-N 3 2 225.380 0.916 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650764298 410414221 /nfs/dbraw/zinc/41/42/21/410414221.db2.gz VLDVBSSKJDTIRM-AAEUAGOBSA-N 3 2 225.380 0.916 20 0 BCADLP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000665283416 410764553 /nfs/dbraw/zinc/76/45/53/410764553.db2.gz NHGNUIFFWDIRIG-UTUOFQBUSA-N 3 2 213.369 0.947 20 0 BCADLP CC[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000665299986 410833754 /nfs/dbraw/zinc/83/37/54/410833754.db2.gz VXFRUBRFBUKQQG-AXFHLTTASA-N 2 2 248.392 0.540 20 0 BCADLP CC(C)N1C[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1=O ZINC000358150682 167034334 /nfs/dbraw/zinc/03/43/34/167034334.db2.gz ILZNLWLQSIZDSQ-IJLUTSLNSA-N 2 2 239.363 0.535 20 0 BCADLP CC(C)N1C[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1=O ZINC000358150682 167034336 /nfs/dbraw/zinc/03/43/36/167034336.db2.gz ILZNLWLQSIZDSQ-IJLUTSLNSA-N 2 2 239.363 0.535 20 0 BCADLP CC(C)[NH2+]C1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000336648338 167094668 /nfs/dbraw/zinc/09/46/68/167094668.db2.gz CLGIVPONVUDJDC-VXGBXAGGSA-N 2 2 228.336 0.209 20 0 BCADLP CC(C)[NH2+]C1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000336648336 167095393 /nfs/dbraw/zinc/09/53/93/167095393.db2.gz CLGIVPONVUDJDC-NWDGAFQWSA-N 2 2 228.336 0.209 20 0 BCADLP CC(C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000125409854 167102110 /nfs/dbraw/zinc/10/21/10/167102110.db2.gz ZOTYJLZBQLDXME-LBPRGKRZSA-N 2 2 241.379 0.927 20 0 BCADLP CC(C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000125409854 167102111 /nfs/dbraw/zinc/10/21/11/167102111.db2.gz ZOTYJLZBQLDXME-LBPRGKRZSA-N 2 2 241.379 0.927 20 0 BCADLP CC(C)[NH2+]CC[N@@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000368075520 167105191 /nfs/dbraw/zinc/10/51/91/167105191.db2.gz ZLCGZYJHMMZIFJ-MNOVXSKESA-N 2 2 225.336 0.052 20 0 BCADLP CC(C)[NH2+]CC[N@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000368075520 167105193 /nfs/dbraw/zinc/10/51/93/167105193.db2.gz ZLCGZYJHMMZIFJ-MNOVXSKESA-N 2 2 225.336 0.052 20 0 BCADLP CC(C)OCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000308656887 167247365 /nfs/dbraw/zinc/24/73/65/167247365.db2.gz OMNDOQIFDHZEBV-MNOVXSKESA-N 2 2 200.326 0.951 20 0 BCADLP CC(C)OCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000308656887 167247369 /nfs/dbraw/zinc/24/73/69/167247369.db2.gz OMNDOQIFDHZEBV-MNOVXSKESA-N 2 2 200.326 0.951 20 0 BCADLP CC(C)[C@@H](C(=O)N(C)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC000331173097 167341809 /nfs/dbraw/zinc/34/18/09/167341809.db2.gz WCHHGEQACTVPJE-NSHDSACASA-N 2 2 238.335 0.954 20 0 BCADLP CC(C)[C@@H](C(=O)NCCn1cc[nH+]c1)[NH+](C)C ZINC000106906603 167343476 /nfs/dbraw/zinc/34/34/76/167343476.db2.gz ANYMJRNIRGZGHD-NSHDSACASA-N 2 2 238.335 0.586 20 0 BCADLP CC(C)[C@@H](C(=O)NCc1c[nH+]c[nH]1)[NH+](C)C ZINC000331182744 167344391 /nfs/dbraw/zinc/34/43/91/167344391.db2.gz RXOHMTZXTXHFRI-JTQLQIEISA-N 2 2 224.308 0.612 20 0 BCADLP CC(C)[C@@H](C(=O)NCc1c[nH]c[nH+]1)[NH+](C)C ZINC000331182744 167344393 /nfs/dbraw/zinc/34/43/93/167344393.db2.gz RXOHMTZXTXHFRI-JTQLQIEISA-N 2 2 224.308 0.612 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CCF)C[N@@H+]1C1CC1 ZINC000652018504 410991807 /nfs/dbraw/zinc/99/18/07/410991807.db2.gz VELLQCXNAFLQBY-OUAUKWLOSA-N 2 2 230.327 0.922 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CCF)C[N@H+]1C1CC1 ZINC000652018504 410991813 /nfs/dbraw/zinc/99/18/13/410991813.db2.gz VELLQCXNAFLQBY-OUAUKWLOSA-N 2 2 230.327 0.922 20 0 BCADLP CC(C)[C@H](C(=O)NCCn1cc[nH+]c1)[C@H](C)[NH3+] ZINC000399357359 411036456 /nfs/dbraw/zinc/03/64/56/411036456.db2.gz AEEHECLFZDJOOQ-QWRGUYRKSA-N 2 2 238.335 0.619 20 0 BCADLP c1c[nH+]c(N2CC[NH+](C[C@H]3CCCO3)CC2)[nH]1 ZINC000653646312 411153072 /nfs/dbraw/zinc/15/30/72/411153072.db2.gz FATDWXQMUAOHLW-LLVKDONJSA-N 2 2 236.319 0.711 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1[C@@H](C)C[C@@H]1C ZINC000653650436 411156850 /nfs/dbraw/zinc/15/68/50/411156850.db2.gz AKMIJMGEAGZZAL-SRVKXCTJSA-N 2 2 230.352 0.408 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1[C@@H](C)C[C@@H]1C ZINC000653650436 411156855 /nfs/dbraw/zinc/15/68/55/411156855.db2.gz AKMIJMGEAGZZAL-SRVKXCTJSA-N 2 2 230.352 0.408 20 0 BCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000659554368 411161789 /nfs/dbraw/zinc/16/17/89/411161789.db2.gz FWTCENLKGRGEHW-RKDXNWHRSA-N 2 2 239.323 0.677 20 0 BCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000659554368 411161791 /nfs/dbraw/zinc/16/17/91/411161791.db2.gz FWTCENLKGRGEHW-RKDXNWHRSA-N 2 2 239.323 0.677 20 0 BCADLP CCNC(=O)C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000043493562 411118169 /nfs/dbraw/zinc/11/81/69/411118169.db2.gz XBAQCYLLNPIAOF-SNVBAGLBSA-N 2 2 213.325 0.054 20 0 BCADLP CCNC(=O)C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000043493562 411118172 /nfs/dbraw/zinc/11/81/72/411118172.db2.gz XBAQCYLLNPIAOF-SNVBAGLBSA-N 2 2 213.325 0.054 20 0 BCADLP Cc1noc([C@H](C)[N@@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000309386648 411120897 /nfs/dbraw/zinc/12/08/97/411120897.db2.gz FEMQAMGWSGSZNU-CBAPKCEASA-N 2 2 210.281 0.720 20 0 BCADLP Cc1noc([C@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000309386648 411120899 /nfs/dbraw/zinc/12/08/99/411120899.db2.gz FEMQAMGWSGSZNU-CBAPKCEASA-N 2 2 210.281 0.720 20 0 BCADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[NH+](C)C ZINC000401004229 411168669 /nfs/dbraw/zinc/16/86/69/411168669.db2.gz ISQLZZRJUBHXGK-FVCCEPFGSA-N 3 2 225.380 0.914 20 0 BCADLP O=C1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CCCN1 ZINC000111826561 411181336 /nfs/dbraw/zinc/18/13/36/411181336.db2.gz GKSOMIGVORQZFI-GHMZBOCLSA-N 2 2 237.347 0.481 20 0 BCADLP O=C1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)CCCN1 ZINC000111826561 411181339 /nfs/dbraw/zinc/18/13/39/411181339.db2.gz GKSOMIGVORQZFI-GHMZBOCLSA-N 2 2 237.347 0.481 20 0 BCADLP O=C1C[C@@H](C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CN1 ZINC000659882865 411184178 /nfs/dbraw/zinc/18/41/78/411184178.db2.gz OMHDKSMJBAXRCE-VXGBXAGGSA-N 2 2 248.330 0.656 20 0 BCADLP O=C1C[C@@H](C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CN1 ZINC000659882865 411184179 /nfs/dbraw/zinc/18/41/79/411184179.db2.gz OMHDKSMJBAXRCE-VXGBXAGGSA-N 2 2 248.330 0.656 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC(C(C)C)C1 ZINC000656151892 411186984 /nfs/dbraw/zinc/18/69/84/411186984.db2.gz MIJVLTYTJZPNPH-LBPRGKRZSA-N 2 2 214.353 0.887 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC(C(C)C)C1 ZINC000656151892 411186985 /nfs/dbraw/zinc/18/69/85/411186985.db2.gz MIJVLTYTJZPNPH-LBPRGKRZSA-N 2 2 214.353 0.887 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC(C2CC2)C1 ZINC000656152406 411187257 /nfs/dbraw/zinc/18/72/57/411187257.db2.gz BQCOMUYPIOKJQC-LBPRGKRZSA-N 2 2 212.337 0.641 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC(C2CC2)C1 ZINC000656152406 411187260 /nfs/dbraw/zinc/18/72/60/411187260.db2.gz BQCOMUYPIOKJQC-LBPRGKRZSA-N 2 2 212.337 0.641 20 0 BCADLP C[C@@H](Cc1ccccn1)[NH2+][C@H]1CC[NH2+]C1 ZINC000656193419 411198304 /nfs/dbraw/zinc/19/83/04/411198304.db2.gz LDEGLGBKSOOHSZ-JQWIXIFHSA-N 2 2 205.305 0.964 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C1 ZINC000656192626 411198381 /nfs/dbraw/zinc/19/83/81/411198381.db2.gz MEUQVAPXLNXWGU-UTUOFQBUSA-N 3 2 211.353 0.988 20 0 BCADLP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)C1 ZINC000656192624 411198580 /nfs/dbraw/zinc/19/85/80/411198580.db2.gz MEUQVAPXLNXWGU-GRYCIOLGSA-N 3 2 211.353 0.988 20 0 BCADLP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC000656197732 411202668 /nfs/dbraw/zinc/20/26/68/411202668.db2.gz FHSIHYLSFOYJMH-IUCAKERBSA-N 2 2 236.323 0.368 20 0 BCADLP COCC1(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000656200107 411204052 /nfs/dbraw/zinc/20/40/52/411204052.db2.gz JQJUGCADKYHXDU-RYUDHWBXSA-N 2 2 242.363 0.770 20 0 BCADLP [NH3+]CC[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349252 411210991 /nfs/dbraw/zinc/21/09/91/411210991.db2.gz HVDDOKXVRZOAJX-SRVKXCTJSA-N 3 2 227.352 0.163 20 0 BCADLP [NH3+]CC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349252 411210993 /nfs/dbraw/zinc/21/09/93/411210993.db2.gz HVDDOKXVRZOAJX-SRVKXCTJSA-N 3 2 227.352 0.163 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+]CC1([NH+](C)C)CC1 ZINC000658036562 411212452 /nfs/dbraw/zinc/21/24/52/411212452.db2.gz DIUGXABIUNIHBZ-JTQLQIEISA-N 2 2 223.324 0.350 20 0 BCADLP CC[N@H+](CC[NH3+])CCOCC(F)(F)F ZINC000049310738 411230572 /nfs/dbraw/zinc/23/05/72/411230572.db2.gz BUALQCUPXIZBMZ-UHFFFAOYSA-N 2 2 214.231 0.846 20 0 BCADLP CC[N@@H+](CC[NH3+])CCOCC(F)(F)F ZINC000049310738 411230574 /nfs/dbraw/zinc/23/05/74/411230574.db2.gz BUALQCUPXIZBMZ-UHFFFAOYSA-N 2 2 214.231 0.846 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1CCCO1 ZINC000310330321 411233729 /nfs/dbraw/zinc/23/37/29/411233729.db2.gz BLCQDZGVJPXYIR-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1CCCO1 ZINC000310330321 411233732 /nfs/dbraw/zinc/23/37/32/411233732.db2.gz BLCQDZGVJPXYIR-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H]1CCCO1 ZINC000310330321 411233736 /nfs/dbraw/zinc/23/37/36/411233736.db2.gz BLCQDZGVJPXYIR-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H]1CCCO1 ZINC000310330321 411233740 /nfs/dbraw/zinc/23/37/40/411233740.db2.gz BLCQDZGVJPXYIR-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000400956627 411166451 /nfs/dbraw/zinc/16/64/51/411166451.db2.gz YVXIOHQQDOCLKX-YNEHKIRRSA-N 3 2 248.374 0.940 20 0 BCADLP OCc1cc(-n2cc(C[NH2+]C3CC3)nn2)cc[nH+]1 ZINC000656459158 411269789 /nfs/dbraw/zinc/26/97/89/411269789.db2.gz PTDQQHWLRURPMT-UHFFFAOYSA-N 2 2 245.286 0.407 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C[NH2+]CC1CC1 ZINC000070645713 411271649 /nfs/dbraw/zinc/27/16/49/411271649.db2.gz SLTZUCLHDSDWAV-UHFFFAOYSA-N 2 2 222.292 0.368 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000070645727 411271943 /nfs/dbraw/zinc/27/19/43/411271943.db2.gz OUAPRLPCHZLFKL-SECBINFHSA-N 2 2 224.308 0.742 20 0 BCADLP CC(C)C[C@@H](CO)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000658179046 411283635 /nfs/dbraw/zinc/28/36/35/411283635.db2.gz SXTNGWLDVQRKCE-SDDRHHMPSA-N 2 2 214.353 0.933 20 0 BCADLP CC(C)C[C@@H](CO)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000658179046 411283638 /nfs/dbraw/zinc/28/36/38/411283638.db2.gz SXTNGWLDVQRKCE-SDDRHHMPSA-N 2 2 214.353 0.933 20 0 BCADLP CC(C)NC(=O)C[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000051889818 411285480 /nfs/dbraw/zinc/28/54/80/411285480.db2.gz UKRGRMFNKMWMOU-SNVBAGLBSA-N 2 2 213.325 0.052 20 0 BCADLP CC(C)NC(=O)C[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000051889818 411285482 /nfs/dbraw/zinc/28/54/82/411285482.db2.gz UKRGRMFNKMWMOU-SNVBAGLBSA-N 2 2 213.325 0.052 20 0 BCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC1=[NH+]CCCN1 ZINC000656508536 411288546 /nfs/dbraw/zinc/28/85/46/411288546.db2.gz KWSHWAWSWFOHEH-MNOVXSKESA-N 2 2 240.351 0.035 20 0 BCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC1=[NH+]CCCN1 ZINC000656508536 411288549 /nfs/dbraw/zinc/28/85/49/411288549.db2.gz KWSHWAWSWFOHEH-MNOVXSKESA-N 2 2 240.351 0.035 20 0 BCADLP CCN(C)C(=O)[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000401702618 411289615 /nfs/dbraw/zinc/28/96/15/411289615.db2.gz ATRSRWHOSVUMDX-DCAQKATOSA-N 2 2 227.352 0.441 20 0 BCADLP O[C@]12C[C@H]1C[N@H+](CCCn1cc[nH+]c1)CC2 ZINC000661723031 411290164 /nfs/dbraw/zinc/29/01/64/411290164.db2.gz RHEMIZVECJLHPV-NWDGAFQWSA-N 2 2 221.304 0.730 20 0 BCADLP O[C@]12C[C@H]1C[N@@H+](CCCn1cc[nH+]c1)CC2 ZINC000661723031 411290167 /nfs/dbraw/zinc/29/01/67/411290167.db2.gz RHEMIZVECJLHPV-NWDGAFQWSA-N 2 2 221.304 0.730 20 0 BCADLP COC[C@@H](CO)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000353072660 411293013 /nfs/dbraw/zinc/29/30/13/411293013.db2.gz NAKXBXAGPBIAJX-LLVKDONJSA-N 2 2 249.314 0.740 20 0 BCADLP C[C@H](CCO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655723924 411297173 /nfs/dbraw/zinc/29/71/73/411297173.db2.gz JIVOZAWVXSVWDR-YPMHNXCESA-N 2 2 242.363 0.600 20 0 BCADLP CC(C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000656545037 411300369 /nfs/dbraw/zinc/30/03/69/411300369.db2.gz XPKYSWBSDCTDBH-UHFFFAOYSA-N 2 2 244.383 0.578 20 0 BCADLP CC(C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000656545037 411300372 /nfs/dbraw/zinc/30/03/72/411300372.db2.gz XPKYSWBSDCTDBH-UHFFFAOYSA-N 2 2 244.383 0.578 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000658258352 411317827 /nfs/dbraw/zinc/31/78/27/411317827.db2.gz IRDYRLGXCLTELP-NHCYSSNCSA-N 2 2 237.347 0.337 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000658258352 411317829 /nfs/dbraw/zinc/31/78/29/411317829.db2.gz IRDYRLGXCLTELP-NHCYSSNCSA-N 2 2 237.347 0.337 20 0 BCADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000401759493 411318151 /nfs/dbraw/zinc/31/81/51/411318151.db2.gz HCCNBXBRYJMGRE-RYUDHWBXSA-N 3 2 222.336 0.861 20 0 BCADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCCn2ccnc2)C1 ZINC000401759493 411318154 /nfs/dbraw/zinc/31/81/54/411318154.db2.gz HCCNBXBRYJMGRE-RYUDHWBXSA-N 2 2 222.336 0.861 20 0 BCADLP CN1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629558991 411324424 /nfs/dbraw/zinc/32/44/24/411324424.db2.gz BSKDXALCLPVHSQ-CHWSQXEVSA-N 2 2 241.379 0.127 20 0 BCADLP CN1CCC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000629558998 411324474 /nfs/dbraw/zinc/32/44/74/411324474.db2.gz BSKDXALCLPVHSQ-STQMWFEESA-N 2 2 241.379 0.127 20 0 BCADLP C[C@@]1(C[NH+]2CCC(C)([NH3+])CC2)CC[NH2+]C1 ZINC000309801092 411252651 /nfs/dbraw/zinc/25/26/51/411252651.db2.gz REENICHRTOPTSJ-LLVKDONJSA-N 3 2 211.353 0.799 20 0 BCADLP CCc1noc(C[N@@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000050249104 411256629 /nfs/dbraw/zinc/25/66/29/411256629.db2.gz DOOQDPAIVXONHR-MRVPVSSYSA-N 2 2 210.281 0.413 20 0 BCADLP CCc1noc(C[N@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000050249104 411256634 /nfs/dbraw/zinc/25/66/34/411256634.db2.gz DOOQDPAIVXONHR-MRVPVSSYSA-N 2 2 210.281 0.413 20 0 BCADLP C[NH+]1CCN(c2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000114200234 411257173 /nfs/dbraw/zinc/25/71/73/411257173.db2.gz GIEUDYQBQFXHOQ-UHFFFAOYSA-N 2 2 247.346 0.689 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](O)C1 ZINC000658351481 411353652 /nfs/dbraw/zinc/35/36/52/411353652.db2.gz XDVJXUTVDMAVOE-CNVPUSNMSA-N 2 2 210.321 0.582 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](O)C1 ZINC000658351481 411353655 /nfs/dbraw/zinc/35/36/55/411353655.db2.gz XDVJXUTVDMAVOE-CNVPUSNMSA-N 2 2 210.321 0.582 20 0 BCADLP Nc1ncc(C[NH2+]CC2([NH3+])CCC2)s1 ZINC000577063299 411355192 /nfs/dbraw/zinc/35/51/92/411355192.db2.gz ZPQYICLICBISCQ-UHFFFAOYSA-N 2 2 212.322 0.696 20 0 BCADLP COCCn1cc(C[N@H+](C)CC(C)(C)[NH3+])cn1 ZINC000656782598 411360414 /nfs/dbraw/zinc/36/04/14/411360414.db2.gz HQXOHTOPWZHLLQ-UHFFFAOYSA-N 2 2 240.351 0.699 20 0 BCADLP COCCn1cc(C[N@@H+](C)CC(C)(C)[NH3+])cn1 ZINC000656782598 411360416 /nfs/dbraw/zinc/36/04/16/411360416.db2.gz HQXOHTOPWZHLLQ-UHFFFAOYSA-N 2 2 240.351 0.699 20 0 BCADLP C[NH2+]C[C@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000659005767 411366458 /nfs/dbraw/zinc/36/64/58/411366458.db2.gz TZCWLCPJKTVBKO-VIFPVBQESA-N 2 2 222.292 0.541 20 0 BCADLP C[C@]1(C[NH2+]CC2([NH3+])CCCC2)CC[NH2+]C1 ZINC000656789163 411369400 /nfs/dbraw/zinc/36/94/00/411369400.db2.gz KSZXNMWRMZDIMS-NSHDSACASA-N 3 2 211.353 0.847 20 0 BCADLP C[C@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000656702756 411337921 /nfs/dbraw/zinc/33/79/21/411337921.db2.gz SHUZYZONCATJPN-VHSXEESVSA-N 2 2 200.326 0.830 20 0 BCADLP C[C@H](O)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000656702756 411337924 /nfs/dbraw/zinc/33/79/24/411337924.db2.gz SHUZYZONCATJPN-VHSXEESVSA-N 2 2 200.326 0.830 20 0 BCADLP CC1(NC(=O)CCn2cc[nH+]c2)CC[NH2+]CC1 ZINC000229623682 168054679 /nfs/dbraw/zinc/05/46/79/168054679.db2.gz NMBVLRPMAYJBIU-UHFFFAOYSA-N 2 2 236.319 0.532 20 0 BCADLP Cn1c[nH+]cc1CCCN1CCC[N@H+](C)CC1 ZINC000653488706 411379040 /nfs/dbraw/zinc/37/90/40/411379040.db2.gz IEUJHFHRVOUFRY-UHFFFAOYSA-N 2 2 236.363 0.990 20 0 BCADLP Cn1c[nH+]cc1CCCN1CCC[N@@H+](C)CC1 ZINC000653488706 411379041 /nfs/dbraw/zinc/37/90/41/411379041.db2.gz IEUJHFHRVOUFRY-UHFFFAOYSA-N 2 2 236.363 0.990 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCN(C)CC1 ZINC000653488706 411379042 /nfs/dbraw/zinc/37/90/42/411379042.db2.gz IEUJHFHRVOUFRY-UHFFFAOYSA-N 2 2 236.363 0.990 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CCCN(C)CC1 ZINC000653488706 411379043 /nfs/dbraw/zinc/37/90/43/411379043.db2.gz IEUJHFHRVOUFRY-UHFFFAOYSA-N 2 2 236.363 0.990 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000336724286 168181368 /nfs/dbraw/zinc/18/13/68/168181368.db2.gz BGCJCPFDMJZPCO-LLVKDONJSA-N 2 2 227.352 0.572 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000341890003 168185868 /nfs/dbraw/zinc/18/58/68/168185868.db2.gz FRIPZFNGCMDEFG-RYUDHWBXSA-N 2 2 241.379 0.960 20 0 BCADLP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094342006 168290679 /nfs/dbraw/zinc/29/06/79/168290679.db2.gz JNSQDKVYWPPWCP-MNOVXSKESA-N 2 2 241.379 0.960 20 0 BCADLP CCC(C)(C)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094342006 168290681 /nfs/dbraw/zinc/29/06/81/168290681.db2.gz JNSQDKVYWPPWCP-MNOVXSKESA-N 2 2 241.379 0.960 20 0 BCADLP Cc1cc(N(C)[C@H](C[NH3+])C2CC2)nc[nH+]1 ZINC000126820904 411458873 /nfs/dbraw/zinc/45/88/73/411458873.db2.gz GYMZEKRMPHDXQA-SNVBAGLBSA-N 2 2 206.293 0.959 20 0 BCADLP C[C@@H]1CCC[N@H+](Cc2cn(C)nn2)[C@H]1CC[NH3+] ZINC000404382576 411392295 /nfs/dbraw/zinc/39/22/95/411392295.db2.gz NANZHDXOBOXTGE-PWSUYJOCSA-N 2 2 237.351 0.764 20 0 BCADLP C[C@@H]1CCC[N@@H+](Cc2cn(C)nn2)[C@H]1CC[NH3+] ZINC000404382576 411392297 /nfs/dbraw/zinc/39/22/97/411392297.db2.gz NANZHDXOBOXTGE-PWSUYJOCSA-N 2 2 237.351 0.764 20 0 BCADLP C[C@@H]1CCC[N@H+](Cc2ncnn2C)[C@H]1CC[NH3+] ZINC000404372112 411392331 /nfs/dbraw/zinc/39/23/31/411392331.db2.gz JINLGAOMDGZCPR-MNOVXSKESA-N 2 2 237.351 0.764 20 0 BCADLP C[C@@H]1CCC[N@@H+](Cc2ncnn2C)[C@H]1CC[NH3+] ZINC000404372112 411392336 /nfs/dbraw/zinc/39/23/36/411392336.db2.gz JINLGAOMDGZCPR-MNOVXSKESA-N 2 2 237.351 0.764 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000309450091 411396669 /nfs/dbraw/zinc/39/66/69/411396669.db2.gz MIMPBAJZKOJTRJ-NXEZZACHSA-N 2 2 208.309 0.936 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000309450091 411396672 /nfs/dbraw/zinc/39/66/72/411396672.db2.gz MIMPBAJZKOJTRJ-NXEZZACHSA-N 2 2 208.309 0.936 20 0 BCADLP C[C@H](CC(=O)N[C@H]1CCC[NH2+]C1)n1cc[nH+]c1 ZINC000653044621 411402496 /nfs/dbraw/zinc/40/24/96/411402496.db2.gz SBORXZSJXDMFTC-MNOVXSKESA-N 2 2 236.319 0.702 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCCCC1 ZINC000653056044 411406771 /nfs/dbraw/zinc/40/67/71/411406771.db2.gz RYZWUCNKKPRBTR-NSHDSACASA-N 2 2 227.352 0.668 20 0 BCADLP CC[C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653056080 411407029 /nfs/dbraw/zinc/40/70/29/411407029.db2.gz STWDRFNNVPZJBW-IUCAKERBSA-N 2 2 201.314 0.180 20 0 BCADLP CCN(CC)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653056379 411408240 /nfs/dbraw/zinc/40/82/40/411408240.db2.gz CJKOGYPNFJNTFC-SECBINFHSA-N 2 2 201.314 0.134 20 0 BCADLP CCCN(CCC)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653056755 411408798 /nfs/dbraw/zinc/40/87/98/411408798.db2.gz ZFVISANUOAOSGA-NSHDSACASA-N 2 2 229.368 0.914 20 0 BCADLP Cc1cnc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)s1 ZINC000653057904 411409587 /nfs/dbraw/zinc/40/95/87/411409587.db2.gz VPIZFMBDGGOYES-QMMMGPOBSA-N 2 2 242.348 0.669 20 0 BCADLP CCCN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653065385 411411282 /nfs/dbraw/zinc/41/12/82/411411282.db2.gz ATDNZQQSFYXMOT-SECBINFHSA-N 2 2 201.314 0.134 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC(C)(C)C ZINC000653065699 411411349 /nfs/dbraw/zinc/41/13/49/411411349.db2.gz PPPOIOWQYWYRBR-SECBINFHSA-N 2 2 215.341 0.428 20 0 BCADLP CN(CC(C)(C)[NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000659427962 411413896 /nfs/dbraw/zinc/41/38/96/411413896.db2.gz LBBZVPIULKXWJC-UHFFFAOYSA-N 2 2 239.323 0.262 20 0 BCADLP C[NH2+]C[C@H](C)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000659437935 411414759 /nfs/dbraw/zinc/41/47/59/411414759.db2.gz SPALQZPPLPVZKR-VHSXEESVSA-N 2 2 239.323 0.179 20 0 BCADLP CCOCCOCC[N@H+](C)CC(C)(C)[NH3+] ZINC000336724193 411424408 /nfs/dbraw/zinc/42/44/08/411424408.db2.gz BDUYSUMCBJGEFZ-UHFFFAOYSA-N 2 2 218.341 0.709 20 0 BCADLP CCOCCOCC[N@@H+](C)CC(C)(C)[NH3+] ZINC000336724193 411424411 /nfs/dbraw/zinc/42/44/11/411424411.db2.gz BDUYSUMCBJGEFZ-UHFFFAOYSA-N 2 2 218.341 0.709 20 0 BCADLP C[C@@H](NC(=O)N[C@H]1CC[NH2+]C1)c1[nH+]ccn1C ZINC000659514867 411426055 /nfs/dbraw/zinc/42/60/55/411426055.db2.gz FTGMFSPMOVRGBX-BDAKNGLRSA-N 2 2 237.307 0.142 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCCO)C1 ZINC000653591633 411426772 /nfs/dbraw/zinc/42/67/72/411426772.db2.gz RMPQNAHNBNNDEE-NSHDSACASA-N 2 2 223.320 0.982 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCCCO)C1 ZINC000653591633 411426775 /nfs/dbraw/zinc/42/67/75/411426775.db2.gz RMPQNAHNBNNDEE-NSHDSACASA-N 2 2 223.320 0.982 20 0 BCADLP C[N@@H+]1CCN(C(=O)[C@H]2CC=CCC2)[C@@H](C[NH3+])C1 ZINC000122642946 411433771 /nfs/dbraw/zinc/43/37/71/411433771.db2.gz YNUWPRZIOVLLFY-RYUDHWBXSA-N 2 2 237.347 0.444 20 0 BCADLP C[N@H+]1CCN(C(=O)[C@H]2CC=CCC2)[C@@H](C[NH3+])C1 ZINC000122642946 411433774 /nfs/dbraw/zinc/43/37/74/411433774.db2.gz YNUWPRZIOVLLFY-RYUDHWBXSA-N 2 2 237.347 0.444 20 0 BCADLP C[C@@H](NC(=O)N[C@@H](C)c1[nH+]ccn1C)[C@H](C)[NH3+] ZINC000659547866 411433776 /nfs/dbraw/zinc/43/37/76/411433776.db2.gz FIWXFBLWNNVPMB-YIZRAAEISA-N 2 2 239.323 0.516 20 0 BCADLP CCO[C@@H]1C[N@H+](Cc2cc(C)on2)C[C@H]1C[NH3+] ZINC000405544399 411434546 /nfs/dbraw/zinc/43/45/46/411434546.db2.gz VHMAWMFNQISSSQ-ZYHUDNBSSA-N 2 2 239.319 0.779 20 0 BCADLP CCO[C@@H]1C[N@@H+](Cc2cc(C)on2)C[C@H]1C[NH3+] ZINC000405544399 411434548 /nfs/dbraw/zinc/43/45/48/411434548.db2.gz VHMAWMFNQISSSQ-ZYHUDNBSSA-N 2 2 239.319 0.779 20 0 BCADLP c1cn(CC[NH2+]Cc2cn(C3CCC3)nn2)c[nH+]1 ZINC000657290133 411451840 /nfs/dbraw/zinc/45/18/40/411451840.db2.gz XSRAJDYWHAWTIK-UHFFFAOYSA-N 2 2 246.318 0.989 20 0 BCADLP C[C@@H](O)CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657361407 411478095 /nfs/dbraw/zinc/47/80/95/411478095.db2.gz CVPFHBSOFNYIIT-SECBINFHSA-N 2 2 209.293 0.690 20 0 BCADLP O=C1NCCC[C@@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657490509 411533321 /nfs/dbraw/zinc/53/33/21/411533321.db2.gz LRTKORWGNCOQTQ-SNVBAGLBSA-N 2 2 248.330 0.445 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)[C@H](C)[NH+](C)C)C1 ZINC000655052272 411485354 /nfs/dbraw/zinc/48/53/54/411485354.db2.gz HMRIKXQIYCKRPG-VIFPVBQESA-N 2 2 213.325 0.145 20 0 BCADLP C[C@@H](CO)[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657372799 411486340 /nfs/dbraw/zinc/48/63/40/411486340.db2.gz XDXJXBHXLHPXIL-VHSXEESVSA-N 2 2 223.320 0.936 20 0 BCADLP O=C1C[C@H](C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CN1 ZINC000659882863 411489663 /nfs/dbraw/zinc/48/96/63/411489663.db2.gz OMHDKSMJBAXRCE-RYUDHWBXSA-N 2 2 248.330 0.656 20 0 BCADLP O=C1C[C@H](C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CN1 ZINC000659882863 411489664 /nfs/dbraw/zinc/48/96/64/411489664.db2.gz OMHDKSMJBAXRCE-RYUDHWBXSA-N 2 2 248.330 0.656 20 0 BCADLP O=C1NCCC[C@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657490508 411533769 /nfs/dbraw/zinc/53/37/69/411533769.db2.gz LRTKORWGNCOQTQ-JTQLQIEISA-N 2 2 248.330 0.445 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657401905 411496007 /nfs/dbraw/zinc/49/60/07/411496007.db2.gz HSJFNDIVBMONML-QMMMGPOBSA-N 2 2 222.292 0.183 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C2(CO)CCC2)n1C ZINC000657401108 411496390 /nfs/dbraw/zinc/49/63/90/411496390.db2.gz QXMRQUDYBWTKIH-UHFFFAOYSA-N 2 2 209.293 0.733 20 0 BCADLP CCN1CC[C@@H]([N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000659925627 411500419 /nfs/dbraw/zinc/50/04/19/411500419.db2.gz KCHNWUYZLBKGIL-NWDGAFQWSA-N 2 2 239.363 0.491 20 0 BCADLP CCN1CC[C@@H]([N@H+]2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000659925627 411500420 /nfs/dbraw/zinc/50/04/20/411500420.db2.gz KCHNWUYZLBKGIL-NWDGAFQWSA-N 2 2 239.363 0.491 20 0 BCADLP Cn1ccc(CC[NH2+]Cc2c[nH+]c3n2CCC3)n1 ZINC000657434185 411506417 /nfs/dbraw/zinc/50/64/17/411506417.db2.gz HHDFZMFNGJDJFL-UHFFFAOYSA-N 2 2 245.330 0.895 20 0 BCADLP COC[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)OC ZINC000657428778 411506621 /nfs/dbraw/zinc/50/66/21/411506621.db2.gz BACHZSPMEVCHKX-NSHDSACASA-N 2 2 239.319 0.580 20 0 BCADLP CC[C@@H]1C[C@@H]([NH2+]CC[N@H+](CC)CCO)CO1 ZINC000657438413 411510285 /nfs/dbraw/zinc/51/02/85/411510285.db2.gz QHLZIZAEVUZOGL-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP CC[C@@H]1C[C@@H]([NH2+]CC[N@@H+](CC)CCO)CO1 ZINC000657438413 411510286 /nfs/dbraw/zinc/51/02/86/411510286.db2.gz QHLZIZAEVUZOGL-VXGBXAGGSA-N 2 2 230.352 0.458 20 0 BCADLP CO[C@H](C)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657445684 411512845 /nfs/dbraw/zinc/51/28/45/411512845.db2.gz IOUXPRCPCHIMJB-SECBINFHSA-N 2 2 209.293 0.954 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@@H](O)C(F)(F)F)n1C ZINC000657446300 411512861 /nfs/dbraw/zinc/51/28/61/411512861.db2.gz CQMOBDPYKDJVIU-MRVPVSSYSA-N 2 2 237.225 0.741 20 0 BCADLP OCCCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657451465 411517184 /nfs/dbraw/zinc/51/71/84/411517184.db2.gz VAENWGWWORVCGO-UHFFFAOYSA-N 2 2 209.293 0.691 20 0 BCADLP C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657459116 411517476 /nfs/dbraw/zinc/51/74/76/411517476.db2.gz UEBOKGSHBZYTID-CABZTGNLSA-N 2 2 248.330 0.444 20 0 BCADLP CC[N@H+](CC[NH2+][C@H]1CCCNC(=O)C1)C1CC1 ZINC000217945225 411519507 /nfs/dbraw/zinc/51/95/07/411519507.db2.gz MBTXXVUUWAFIKE-NSHDSACASA-N 2 2 239.363 0.729 20 0 BCADLP CC[N@@H+](CC[NH2+][C@H]1CCCNC(=O)C1)C1CC1 ZINC000217945225 411519511 /nfs/dbraw/zinc/51/95/11/411519511.db2.gz MBTXXVUUWAFIKE-NSHDSACASA-N 2 2 239.363 0.729 20 0 BCADLP COCC1(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000655819149 411525544 /nfs/dbraw/zinc/52/55/44/411525544.db2.gz WNXZOLOTBQEHQZ-GHMZBOCLSA-N 2 2 212.337 0.953 20 0 BCADLP COCC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000655819149 411525546 /nfs/dbraw/zinc/52/55/46/411525546.db2.gz WNXZOLOTBQEHQZ-GHMZBOCLSA-N 2 2 212.337 0.953 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657485303 411529821 /nfs/dbraw/zinc/52/98/21/411529821.db2.gz ZAVOGOLVXVHSFP-SECBINFHSA-N 2 2 236.319 0.444 20 0 BCADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ncc[nH]2)C1 ZINC000049715471 170007819 /nfs/dbraw/zinc/00/78/19/170007819.db2.gz HUZHETSLHMGPPB-JTQLQIEISA-N 2 2 208.309 0.841 20 0 BCADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ncc[nH]2)C1 ZINC000049715471 170007820 /nfs/dbraw/zinc/00/78/20/170007820.db2.gz HUZHETSLHMGPPB-JTQLQIEISA-N 2 2 208.309 0.841 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC)C[C@@H]1C ZINC000362174130 170009818 /nfs/dbraw/zinc/00/98/18/170009818.db2.gz UDXARDLGGYGIGK-WDEREUQCSA-N 2 2 227.352 0.537 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC)C[C@@H]1C ZINC000362174130 170009819 /nfs/dbraw/zinc/00/98/19/170009819.db2.gz UDXARDLGGYGIGK-WDEREUQCSA-N 2 2 227.352 0.537 20 0 BCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC)C[C@@H]1C ZINC000362174130 170009820 /nfs/dbraw/zinc/00/98/20/170009820.db2.gz UDXARDLGGYGIGK-WDEREUQCSA-N 2 2 227.352 0.537 20 0 BCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC)C[C@@H]1C ZINC000362174130 170009822 /nfs/dbraw/zinc/00/98/22/170009822.db2.gz UDXARDLGGYGIGK-WDEREUQCSA-N 2 2 227.352 0.537 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCN2CCC2)C1 ZINC000309026450 170032065 /nfs/dbraw/zinc/03/20/65/170032065.db2.gz AVSASNDOYQXZNG-VXGBXAGGSA-N 2 2 211.353 0.622 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCN2CCC2)C1 ZINC000309026450 170032066 /nfs/dbraw/zinc/03/20/66/170032066.db2.gz AVSASNDOYQXZNG-VXGBXAGGSA-N 2 2 211.353 0.622 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CCCOC)[C@@H](C)C1 ZINC000308579787 170034649 /nfs/dbraw/zinc/03/46/49/170034649.db2.gz GBICXLRCBORVFN-QWRGUYRKSA-N 2 2 200.326 0.953 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CC2(C)COC2)[C@@H](C)C1 ZINC000309044349 170034972 /nfs/dbraw/zinc/03/49/72/170034972.db2.gz NJOOPGKIUZFYAB-QWRGUYRKSA-N 2 2 212.337 0.953 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]CC2(C)COC2)[C@@H](C)C1 ZINC000309044349 170034974 /nfs/dbraw/zinc/03/49/74/170034974.db2.gz NJOOPGKIUZFYAB-QWRGUYRKSA-N 2 2 212.337 0.953 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CCn2cccn2)[C@@H](C)C1 ZINC000309494844 170035331 /nfs/dbraw/zinc/03/53/31/170035331.db2.gz YDJQAZRMAYMCHU-RYUDHWBXSA-N 2 2 222.336 0.813 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CCOCCOC)[C@@H](C)C1 ZINC000309467872 170035442 /nfs/dbraw/zinc/03/54/42/170035442.db2.gz PYTPWMPMZKECPH-RYUDHWBXSA-N 2 2 230.352 0.579 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]CCOCCOC)[C@@H](C)C1 ZINC000309467872 170035443 /nfs/dbraw/zinc/03/54/43/170035443.db2.gz PYTPWMPMZKECPH-RYUDHWBXSA-N 2 2 230.352 0.579 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CCNC(=O)C(C)C)[C@@H](C)C1 ZINC000358141499 170035627 /nfs/dbraw/zinc/03/56/27/170035627.db2.gz YSHNRMHOUPXFSV-RYUDHWBXSA-N 2 2 241.379 0.688 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2(C)COC2)C1 ZINC000309044350 170036937 /nfs/dbraw/zinc/03/69/37/170036937.db2.gz NJOOPGKIUZFYAB-WDEREUQCSA-N 2 2 212.337 0.953 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2(C)COC2)C1 ZINC000309044350 170036938 /nfs/dbraw/zinc/03/69/38/170036938.db2.gz NJOOPGKIUZFYAB-WDEREUQCSA-N 2 2 212.337 0.953 20 0 BCADLP CC[N@H+]1C[C@H](NC[C@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000358139056 170037147 /nfs/dbraw/zinc/03/71/47/170037147.db2.gz WAEXFJZTEJQROP-AVGNSLFASA-N 2 2 241.379 0.247 20 0 BCADLP CC[N@@H+]1C[C@H](NC[C@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000358139056 170037148 /nfs/dbraw/zinc/03/71/48/170037148.db2.gz WAEXFJZTEJQROP-AVGNSLFASA-N 2 2 241.379 0.247 20 0 BCADLP CC[NH+]1C[C@H](NC[C@H]2C[N@H+](C)CCO2)[C@@H](C)C1 ZINC000358139056 170037149 /nfs/dbraw/zinc/03/71/49/170037149.db2.gz WAEXFJZTEJQROP-AVGNSLFASA-N 2 2 241.379 0.247 20 0 BCADLP CC[NH+]1C[C@H](NC[C@H]2C[N@@H+](C)CCO2)[C@@H](C)C1 ZINC000358139056 170037150 /nfs/dbraw/zinc/03/71/50/170037150.db2.gz WAEXFJZTEJQROP-AVGNSLFASA-N 2 2 241.379 0.247 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](CO)C(C)C)C1 ZINC000336754486 170038626 /nfs/dbraw/zinc/03/86/26/170038626.db2.gz HKUZTDARPHTVNB-TUAOUCFPSA-N 2 2 214.353 0.933 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](CO)C(C)C)C1 ZINC000336754486 170038627 /nfs/dbraw/zinc/03/86/27/170038627.db2.gz HKUZTDARPHTVNB-TUAOUCFPSA-N 2 2 214.353 0.933 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCc2ccn(C)n2)C1 ZINC000354680545 170038738 /nfs/dbraw/zinc/03/87/38/170038738.db2.gz SINRFOQUZKXQPZ-WCQYABFASA-N 2 2 236.363 0.892 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCc2ccn(C)n2)C1 ZINC000354680545 170038739 /nfs/dbraw/zinc/03/87/39/170038739.db2.gz SINRFOQUZKXQPZ-WCQYABFASA-N 2 2 236.363 0.892 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCc2ncn(C)n2)C1 ZINC000358393800 170038811 /nfs/dbraw/zinc/03/88/11/170038811.db2.gz ZXPKWPVYLFSHPD-WDEREUQCSA-N 2 2 237.351 0.287 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCc2ncn(C)n2)C1 ZINC000358393800 170038813 /nfs/dbraw/zinc/03/88/13/170038813.db2.gz ZXPKWPVYLFSHPD-WDEREUQCSA-N 2 2 237.351 0.287 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000355334338 170061036 /nfs/dbraw/zinc/06/10/36/170061036.db2.gz NQEUEPQLKJIBQS-SNVBAGLBSA-N 2 2 213.325 0.006 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000355334338 170061038 /nfs/dbraw/zinc/06/10/38/170061038.db2.gz NQEUEPQLKJIBQS-SNVBAGLBSA-N 2 2 213.325 0.006 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)CN(C)Cc1[nH]cc[nH+]1 ZINC000660142809 411544505 /nfs/dbraw/zinc/54/45/05/411544505.db2.gz KVFZKKLMUZKPFZ-LLVKDONJSA-N 2 2 240.351 0.543 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)CN(C)Cc1[nH]cc[nH+]1 ZINC000660142809 411544506 /nfs/dbraw/zinc/54/45/06/411544506.db2.gz KVFZKKLMUZKPFZ-LLVKDONJSA-N 2 2 240.351 0.543 20 0 BCADLP CCNC(=O)[C@@H]([NH2+]C1CC[NH+](C)CC1)C(C)C ZINC000354067876 170090934 /nfs/dbraw/zinc/09/09/34/170090934.db2.gz HRYSYFJQTAYSGG-LBPRGKRZSA-N 2 2 241.379 0.831 20 0 BCADLP CCNC(=O)[C@@H]([NH2+]CCn1cc[nH+]c1)C(C)C ZINC000293135828 170092270 /nfs/dbraw/zinc/09/22/70/170092270.db2.gz CIJKXZUZUXAXKI-NSHDSACASA-N 2 2 238.335 0.633 20 0 BCADLP COC[C@H](CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C)OC ZINC000657555269 411549908 /nfs/dbraw/zinc/54/99/08/411549908.db2.gz UHYQBUHGHBFDGW-SRVKXCTJSA-N 2 2 230.352 0.578 20 0 BCADLP COC[C@H](CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)OC ZINC000657555269 411549911 /nfs/dbraw/zinc/54/99/11/411549911.db2.gz UHYQBUHGHBFDGW-SRVKXCTJSA-N 2 2 230.352 0.578 20 0 BCADLP CCOC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000126884160 170221615 /nfs/dbraw/zinc/22/16/15/170221615.db2.gz VGPZJDHGKXOJJV-DTWKUNHWSA-N 2 2 200.282 0.219 20 0 BCADLP CCOC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000126884160 170221616 /nfs/dbraw/zinc/22/16/16/170221616.db2.gz VGPZJDHGKXOJJV-DTWKUNHWSA-N 2 2 200.282 0.219 20 0 BCADLP CCOC(=O)C[NH2+][C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000375508492 170226144 /nfs/dbraw/zinc/22/61/44/170226144.db2.gz JEHGOZZXNQBYFR-SNVBAGLBSA-N 2 2 237.303 0.659 20 0 BCADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C1(CO)CC1 ZINC000657601732 411558608 /nfs/dbraw/zinc/55/86/08/411558608.db2.gz CQBBTIVKQQJEQT-OUAUKWLOSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C1(CO)CC1 ZINC000657601732 411558609 /nfs/dbraw/zinc/55/86/09/411558609.db2.gz CQBBTIVKQQJEQT-OUAUKWLOSA-N 2 2 212.337 0.687 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531575 170266965 /nfs/dbraw/zinc/26/69/65/170266965.db2.gz AHTFHHMMPJOXTA-VHSXEESVSA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531575 170266966 /nfs/dbraw/zinc/26/69/66/170266966.db2.gz AHTFHHMMPJOXTA-VHSXEESVSA-N 2 2 214.309 0.609 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H](C)C2(CO)CC2)n1C ZINC000657607859 411561990 /nfs/dbraw/zinc/56/19/90/411561990.db2.gz NJSXMLAWEJJVBS-SECBINFHSA-N 2 2 223.320 0.979 20 0 BCADLP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000657609864 411562324 /nfs/dbraw/zinc/56/23/24/411562324.db2.gz KLWVTZMEPKAZAJ-JHJVBQTASA-N 2 2 242.363 0.864 20 0 BCADLP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC000657609864 411562325 /nfs/dbraw/zinc/56/23/25/411562325.db2.gz KLWVTZMEPKAZAJ-JHJVBQTASA-N 2 2 242.363 0.864 20 0 BCADLP Cc1cc(NCC2([NH+](C)C)CC2)nc[nH+]1 ZINC000397892302 411644277 /nfs/dbraw/zinc/64/42/77/411644277.db2.gz QHGNFXHYPVQKNI-UHFFFAOYSA-N 2 2 206.293 1.291 20 0 BCADLP C[C@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@@H]1O ZINC000314051254 411581026 /nfs/dbraw/zinc/58/10/26/411581026.db2.gz UELTVEOYJVEDCH-JQWIXIFHSA-N 2 2 223.320 0.665 20 0 BCADLP C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@@H]1O ZINC000314051254 411581027 /nfs/dbraw/zinc/58/10/27/411581027.db2.gz UELTVEOYJVEDCH-JQWIXIFHSA-N 2 2 223.320 0.665 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](CO)CC1CC1 ZINC000657700211 411582773 /nfs/dbraw/zinc/58/27/73/411582773.db2.gz MSYNQMHEPQEQPU-RTXFEEFZSA-N 2 2 226.364 0.935 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](CO)CC1CC1 ZINC000657700211 411582774 /nfs/dbraw/zinc/58/27/74/411582774.db2.gz MSYNQMHEPQEQPU-RTXFEEFZSA-N 2 2 226.364 0.935 20 0 BCADLP C[C@H](C[NH2+][C@@H]1CCCNC(=O)C1)[N@H+](C)C1CC1 ZINC000217952469 411588933 /nfs/dbraw/zinc/58/89/33/411588933.db2.gz WZXHQPFQWOLBIO-GHMZBOCLSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@H](C[NH2+][C@@H]1CCCNC(=O)C1)[N@@H+](C)C1CC1 ZINC000217952469 411588934 /nfs/dbraw/zinc/58/89/34/411588934.db2.gz WZXHQPFQWOLBIO-GHMZBOCLSA-N 2 2 239.363 0.727 20 0 BCADLP CO[C@@]1(C)C[C@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000657791004 411597437 /nfs/dbraw/zinc/59/74/37/411597437.db2.gz ZNFGQQVAEBPVLH-MNOVXSKESA-N 2 2 209.293 0.996 20 0 BCADLP CNC(=O)[C@H]1CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000660834159 411651743 /nfs/dbraw/zinc/65/17/43/411651743.db2.gz XRXAULGCGAXPEI-NSHDSACASA-N 2 2 236.319 0.259 20 0 BCADLP CNC(=O)[C@H]1CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000660834159 411651746 /nfs/dbraw/zinc/65/17/46/411651746.db2.gz XRXAULGCGAXPEI-NSHDSACASA-N 2 2 236.319 0.259 20 0 BCADLP C[C@]1(C[NH3+])CC[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663495421 411668599 /nfs/dbraw/zinc/66/85/99/411668599.db2.gz XSWZDUOWDAJPTN-UTUOFQBUSA-N 3 2 209.337 0.267 20 0 BCADLP C[C@]1(C[NH3+])CC[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663495421 411668603 /nfs/dbraw/zinc/66/86/03/411668603.db2.gz XSWZDUOWDAJPTN-UTUOFQBUSA-N 3 2 209.337 0.267 20 0 BCADLP C([N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663493486 411673059 /nfs/dbraw/zinc/67/30/59/411673059.db2.gz IFIVMOQVYBUGHV-MCIONIFRSA-N 3 2 235.375 0.671 20 0 BCADLP C([N@H+]1CCC[C@]2(CC[NH2+]C2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663493486 411673066 /nfs/dbraw/zinc/67/30/66/411673066.db2.gz IFIVMOQVYBUGHV-MCIONIFRSA-N 3 2 235.375 0.671 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663494709 411674922 /nfs/dbraw/zinc/67/49/22/411674922.db2.gz KQPQPELUQDWIDE-XQQFMLRXSA-N 3 2 223.364 0.527 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663494709 411674926 /nfs/dbraw/zinc/67/49/26/411674926.db2.gz KQPQPELUQDWIDE-XQQFMLRXSA-N 3 2 223.364 0.527 20 0 BCADLP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@]12C[C@H]1C[NH2+]C2 ZINC000663498858 411680530 /nfs/dbraw/zinc/68/05/30/411680530.db2.gz URBSMIJXKUKRNY-JBLDHEPKSA-N 3 2 211.353 0.559 20 0 BCADLP Cc1nn(C)c(C)c1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663502558 411686506 /nfs/dbraw/zinc/68/65/06/411686506.db2.gz VDJOIEYBOUUSIB-UHFFFAOYSA-N 2 2 234.347 0.879 20 0 BCADLP C[C@@]1(C[N@@H+]2CCc3nccnc3C2)CC[NH2+]C1 ZINC000663503765 411687241 /nfs/dbraw/zinc/68/72/41/411687241.db2.gz QURMUBKDKHOYGD-CYBMUJFWSA-N 2 2 232.331 0.834 20 0 BCADLP C[C@@]1(C[N@H+]2CCc3nccnc3C2)CC[NH2+]C1 ZINC000663503765 411687243 /nfs/dbraw/zinc/68/72/43/411687243.db2.gz QURMUBKDKHOYGD-CYBMUJFWSA-N 2 2 232.331 0.834 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc2c(c1)nnn2C ZINC000663508391 411690080 /nfs/dbraw/zinc/69/00/80/411690080.db2.gz PCCQHOLVPAKHNV-SECBINFHSA-N 2 2 233.319 0.666 20 0 BCADLP OCc1ccc(NC[C@H]2CCC[NH2+]C2)[nH+]c1 ZINC000415109248 411691897 /nfs/dbraw/zinc/69/18/97/411691897.db2.gz QWNMVYUOGQUBSV-JTQLQIEISA-N 2 2 221.304 0.985 20 0 BCADLP C[C@H]1C[C@@H](C[N@@H+]2CCOC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC000663512204 411695897 /nfs/dbraw/zinc/69/58/97/411695897.db2.gz ZIXSLUQNCIPQTA-RYUDHWBXSA-N 3 2 239.363 0.049 20 0 BCADLP C[C@H]1C[C@@H](C[N@H+]2CCOC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC000663512204 411695901 /nfs/dbraw/zinc/69/59/01/411695901.db2.gz ZIXSLUQNCIPQTA-RYUDHWBXSA-N 3 2 239.363 0.049 20 0 BCADLP c1cc(NC[C@H]2C[NH2+]CCCO2)nc(C2CC2)[nH+]1 ZINC000333484451 411703097 /nfs/dbraw/zinc/70/30/97/411703097.db2.gz CMURXXFDCZKPIN-LLVKDONJSA-N 2 2 248.330 1.144 20 0 BCADLP COc1ccc2[nH+]c(C)nc(NCC[NH3+])c2c1 ZINC000420123799 411733588 /nfs/dbraw/zinc/73/35/88/411733588.db2.gz RDUSYDCLCWTJSU-UHFFFAOYSA-N 2 2 232.287 1.317 20 0 BCADLP CCc1cc(NC[C@@H]2CSCC[NH2+]2)nc[nH+]1 ZINC000641687199 411768022 /nfs/dbraw/zinc/76/80/22/411768022.db2.gz JVOGDJZRIHJZLR-SNVBAGLBSA-N 2 2 238.360 1.156 20 0 BCADLP C[NH+](C)C[C@@H](CO)Nc1[nH+]cnc2[nH]ccc21 ZINC000663910820 411771423 /nfs/dbraw/zinc/77/14/23/411771423.db2.gz OWZKDXWEDOYBSA-QMMMGPOBSA-N 2 2 235.291 0.292 20 0 BCADLP c1cn(C[C@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)nn1 ZINC000661145415 411719318 /nfs/dbraw/zinc/71/93/18/411719318.db2.gz LLZBEWFWTTWJHM-LBPRGKRZSA-N 2 2 246.318 0.497 20 0 BCADLP c1cn(C[C@H]2CC[N@H+](CCn3cc[nH+]c3)C2)nn1 ZINC000661145415 411719321 /nfs/dbraw/zinc/71/93/21/411719321.db2.gz LLZBEWFWTTWJHM-LBPRGKRZSA-N 2 2 246.318 0.497 20 0 BCADLP CC[C@@H](C(=O)NCc1[nH+]ccn1C)[NH+](C)C ZINC000359214857 170665514 /nfs/dbraw/zinc/66/55/14/170665514.db2.gz HNIWQOMETWXKLN-VIFPVBQESA-N 2 2 224.308 0.377 20 0 BCADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@H](C)[C@H]1O ZINC000661621601 411820169 /nfs/dbraw/zinc/82/01/69/411820169.db2.gz OASWDRAVQLAJSO-PJXYFTJBSA-N 2 2 237.347 0.911 20 0 BCADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@H](C)[C@H]1O ZINC000661621601 411820170 /nfs/dbraw/zinc/82/01/70/411820170.db2.gz OASWDRAVQLAJSO-PJXYFTJBSA-N 2 2 237.347 0.911 20 0 BCADLP Cn1c(NC2C[NH2+]C2)[nH+]c2cccc(F)c21 ZINC000335298669 411829154 /nfs/dbraw/zinc/82/91/54/411829154.db2.gz ICOLULVQDPZNGV-UHFFFAOYSA-N 2 2 220.251 1.096 20 0 BCADLP O[C@]12C[C@H]1C[N@H+](CCn1cc[nH+]c1)CC2 ZINC000661720685 411857948 /nfs/dbraw/zinc/85/79/48/411857948.db2.gz DCFXOGVCCUHLFG-WDEREUQCSA-N 2 2 207.277 0.340 20 0 BCADLP O[C@]12C[C@H]1C[N@@H+](CCn1cc[nH+]c1)CC2 ZINC000661720685 411857950 /nfs/dbraw/zinc/85/79/50/411857950.db2.gz DCFXOGVCCUHLFG-WDEREUQCSA-N 2 2 207.277 0.340 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661722002 411858126 /nfs/dbraw/zinc/85/81/26/411858126.db2.gz VMGYETZECOANBC-WCQYABFASA-N 2 2 235.331 0.809 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661722002 411858130 /nfs/dbraw/zinc/85/81/30/411858130.db2.gz VMGYETZECOANBC-WCQYABFASA-N 2 2 235.331 0.809 20 0 BCADLP CC[NH2+][C@@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000637828662 411861208 /nfs/dbraw/zinc/86/12/08/411861208.db2.gz UDDZRDTZVUAWPH-ZETCQYMHSA-N 2 2 208.265 0.600 20 0 BCADLP C[C@@H]([NH2+]Cc1cnc(N)s1)[C@H](C)[NH3+] ZINC000573000816 411887623 /nfs/dbraw/zinc/88/76/23/411887623.db2.gz TYMDQFFCWLEGCO-NTSWFWBYSA-N 2 2 200.311 0.551 20 0 BCADLP C[C@@H](Nc1cc(-n2cccn2)nc(N)[nH+]1)[C@H](C)[NH3+] ZINC000420260822 411891553 /nfs/dbraw/zinc/89/15/53/411891553.db2.gz JSKROVOHDCVBKA-JGVFFNPUSA-N 2 2 247.306 0.392 20 0 BCADLP C[NH2+]CCC[N@H+](C)Cc1ccc(N)nc1 ZINC000647552155 411901368 /nfs/dbraw/zinc/90/13/68/411901368.db2.gz IROHERNNLIFQSO-UHFFFAOYSA-N 2 2 208.309 0.705 20 0 BCADLP C[NH2+]CCC[N@@H+](C)Cc1ccc(N)nc1 ZINC000647552155 411901373 /nfs/dbraw/zinc/90/13/73/411901373.db2.gz IROHERNNLIFQSO-UHFFFAOYSA-N 2 2 208.309 0.705 20 0 BCADLP C[NH2+]C[C@@H](C)CNc1nc(N)c2ccccc2[nH+]1 ZINC000563661661 411901956 /nfs/dbraw/zinc/90/19/56/411901956.db2.gz SWNFXXSMVXUQOT-SECBINFHSA-N 2 2 245.330 0.901 20 0 BCADLP CCC[NH2+][C@@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000449108664 411912060 /nfs/dbraw/zinc/91/20/60/411912060.db2.gz VLAUAMCQQJITTL-QMMMGPOBSA-N 2 2 222.292 0.990 20 0 BCADLP C[C@H]1C[NH2+]CCN1Cc1cc[nH+]c(N)c1 ZINC000420295982 411929646 /nfs/dbraw/zinc/92/96/46/411929646.db2.gz PSIPJTBNDZZBIL-VIFPVBQESA-N 2 2 206.293 0.458 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cnc(N)s1 ZINC000414960216 411932331 /nfs/dbraw/zinc/93/23/31/411932331.db2.gz UNTXYDSLPRYIIY-APPZFPTMSA-N 2 2 226.349 0.955 20 0 BCADLP Cc1nc(N(C)CC[N@H+](C)C2CC2)nc(N)[nH+]1 ZINC000631211148 411939620 /nfs/dbraw/zinc/93/96/20/411939620.db2.gz OVLMGLFSCSRHTR-UHFFFAOYSA-N 2 2 236.323 0.293 20 0 BCADLP Cc1nc(N(C)CC[N@@H+](C)C2CC2)nc(N)[nH+]1 ZINC000631211148 411939624 /nfs/dbraw/zinc/93/96/24/411939624.db2.gz OVLMGLFSCSRHTR-UHFFFAOYSA-N 2 2 236.323 0.293 20 0 BCADLP Nc1cc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)ccn1 ZINC000621784396 411941207 /nfs/dbraw/zinc/94/12/07/411941207.db2.gz OIBIJOBFBRYFSG-YPMHNXCESA-N 2 2 232.331 0.977 20 0 BCADLP Nc1cc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)ccn1 ZINC000621784396 411941210 /nfs/dbraw/zinc/94/12/10/411941210.db2.gz OIBIJOBFBRYFSG-YPMHNXCESA-N 2 2 232.331 0.977 20 0 BCADLP Nc1ncc(C[NH2+][C@H](C[NH3+])C2CC2)s1 ZINC000563135075 411975838 /nfs/dbraw/zinc/97/58/38/411975838.db2.gz CSWHCMUVKCPUHS-MRVPVSSYSA-N 2 2 212.322 0.552 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2nccnc2C1 ZINC000662119767 411990337 /nfs/dbraw/zinc/99/03/37/411990337.db2.gz VSZVPXISHBMZDT-UHFFFAOYSA-N 2 2 243.314 0.811 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCc2nccnc2C1 ZINC000662119767 411990341 /nfs/dbraw/zinc/99/03/41/411990341.db2.gz VSZVPXISHBMZDT-UHFFFAOYSA-N 2 2 243.314 0.811 20 0 BCADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@@]1(C)CO ZINC000662144294 412007153 /nfs/dbraw/zinc/00/71/53/412007153.db2.gz SKEFPTALECANRI-YPMHNXCESA-N 2 2 237.347 0.913 20 0 BCADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@@]1(C)CO ZINC000662144294 412007156 /nfs/dbraw/zinc/00/71/56/412007156.db2.gz SKEFPTALECANRI-YPMHNXCESA-N 2 2 237.347 0.913 20 0 BCADLP COCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152645 412009378 /nfs/dbraw/zinc/00/93/78/412009378.db2.gz WODLTNUYSMNPDJ-GFCCVEGCSA-N 2 2 228.336 0.164 20 0 BCADLP COCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152645 412009382 /nfs/dbraw/zinc/00/93/82/412009382.db2.gz WODLTNUYSMNPDJ-GFCCVEGCSA-N 2 2 228.336 0.164 20 0 BCADLP Nc1cc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)ccn1 ZINC000631867404 411944993 /nfs/dbraw/zinc/94/49/93/411944993.db2.gz TUMSACCEOWGVAU-YPMHNXCESA-N 2 2 232.331 0.896 20 0 BCADLP Nc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000647542405 411953909 /nfs/dbraw/zinc/95/39/09/411953909.db2.gz CAUBOKJYEXHDLE-VXGBXAGGSA-N 2 2 232.331 0.848 20 0 BCADLP Nc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000647542405 411953914 /nfs/dbraw/zinc/95/39/14/411953914.db2.gz CAUBOKJYEXHDLE-VXGBXAGGSA-N 2 2 232.331 0.848 20 0 BCADLP Nc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000622004582 411955572 /nfs/dbraw/zinc/95/55/72/411955572.db2.gz QVBJEIIJIRGMSC-AAEUAGOBSA-N 2 2 232.331 0.977 20 0 BCADLP Nc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000622004582 411955576 /nfs/dbraw/zinc/95/55/76/411955576.db2.gz QVBJEIIJIRGMSC-AAEUAGOBSA-N 2 2 232.331 0.977 20 0 BCADLP Nc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000647542404 411955638 /nfs/dbraw/zinc/95/56/38/411955638.db2.gz CAUBOKJYEXHDLE-RYUDHWBXSA-N 2 2 232.331 0.848 20 0 BCADLP Nc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000647542404 411955642 /nfs/dbraw/zinc/95/56/42/411955642.db2.gz CAUBOKJYEXHDLE-RYUDHWBXSA-N 2 2 232.331 0.848 20 0 BCADLP Nc1ccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)c[nH+]1 ZINC000580074081 411959814 /nfs/dbraw/zinc/95/98/14/411959814.db2.gz CSWVBUGYGFGHRW-LJGSYFOKSA-N 2 2 206.249 0.340 20 0 BCADLP CCN1CC[C@@H]([N@@H+]2CCC[C@@H](C[NH2+]C)C2)C1=O ZINC000662238003 412035360 /nfs/dbraw/zinc/03/53/60/412035360.db2.gz MFDIILYHGHYEGT-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP CCN1CC[C@@H]([N@H+]2CCC[C@@H](C[NH2+]C)C2)C1=O ZINC000662238003 412035366 /nfs/dbraw/zinc/03/53/66/412035366.db2.gz MFDIILYHGHYEGT-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP [NH3+][C@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662243601 412038717 /nfs/dbraw/zinc/03/87/17/412038717.db2.gz NNPRWLMHNUKKSH-ZDUSSCGKSA-N 3 2 231.343 0.865 20 0 BCADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662243601 412038719 /nfs/dbraw/zinc/03/87/19/412038719.db2.gz NNPRWLMHNUKKSH-ZDUSSCGKSA-N 3 2 231.343 0.865 20 0 BCADLP CCc1nnc([C@@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)[nH]1 ZINC000662245153 412041871 /nfs/dbraw/zinc/04/18/71/412041871.db2.gz RQDUMKQZQDCGRA-RKDXNWHRSA-N 2 2 223.324 0.709 20 0 BCADLP CCc1nnc([C@@H](C)[N@H+]2CC[C@H](C[NH3+])C2)[nH]1 ZINC000662245153 412041876 /nfs/dbraw/zinc/04/18/76/412041876.db2.gz RQDUMKQZQDCGRA-RKDXNWHRSA-N 2 2 223.324 0.709 20 0 BCADLP CCN1CC[C@@H]([N@H+](C)CCC[NH2+]C)C1=O ZINC000662280282 412050844 /nfs/dbraw/zinc/05/08/44/412050844.db2.gz CEHMBTITYMUMEJ-SNVBAGLBSA-N 2 2 213.325 0.149 20 0 BCADLP CCN1CC[C@@H]([N@@H+](C)CCC[NH2+]C)C1=O ZINC000662280282 412050847 /nfs/dbraw/zinc/05/08/47/412050847.db2.gz CEHMBTITYMUMEJ-SNVBAGLBSA-N 2 2 213.325 0.149 20 0 BCADLP OCCCC[N@H+](C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000662255991 412051589 /nfs/dbraw/zinc/05/15/89/412051589.db2.gz TVEUXTNEWANBII-LBPRGKRZSA-N 2 2 228.336 0.212 20 0 BCADLP OCCCC[N@@H+](C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000662255991 412051593 /nfs/dbraw/zinc/05/15/93/412051593.db2.gz TVEUXTNEWANBII-LBPRGKRZSA-N 2 2 228.336 0.212 20 0 BCADLP C[N@@H+](Cc1ccon1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255790 412052090 /nfs/dbraw/zinc/05/20/90/412052090.db2.gz ROYQVKNRSSAOAD-LLVKDONJSA-N 2 2 237.303 0.627 20 0 BCADLP C[N@H+](Cc1ccon1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255790 412052093 /nfs/dbraw/zinc/05/20/93/412052093.db2.gz ROYQVKNRSSAOAD-LLVKDONJSA-N 2 2 237.303 0.627 20 0 BCADLP CC(C)CO[C@@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662259543 412053012 /nfs/dbraw/zinc/05/30/12/412053012.db2.gz YQXOTAIRBKFNAP-CHWSQXEVSA-N 2 2 242.363 0.722 20 0 BCADLP CC(C)CO[C@@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662259543 412053013 /nfs/dbraw/zinc/05/30/13/412053013.db2.gz YQXOTAIRBKFNAP-CHWSQXEVSA-N 2 2 242.363 0.722 20 0 BCADLP CCC[N@H+](C[C@@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000662262971 412053090 /nfs/dbraw/zinc/05/30/90/412053090.db2.gz JHYBAJFGQQRVQS-ZDUSSCGKSA-N 3 2 241.379 0.439 20 0 BCADLP CCC[N@@H+](C[C@@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000662262971 412053094 /nfs/dbraw/zinc/05/30/94/412053094.db2.gz JHYBAJFGQQRVQS-ZDUSSCGKSA-N 3 2 241.379 0.439 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3C[NH2+]CCO3)C[C@H]21 ZINC000662267516 412060325 /nfs/dbraw/zinc/06/03/25/412060325.db2.gz WFLOHYKUNCFMIR-FDYHWXHSSA-N 3 2 239.363 0.034 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3C[NH2+]CCO3)C[C@H]21 ZINC000662267516 412060331 /nfs/dbraw/zinc/06/03/31/412060331.db2.gz WFLOHYKUNCFMIR-FDYHWXHSSA-N 3 2 239.363 0.034 20 0 BCADLP CC[C@@H]1C[N@H+](CCn2cc[nH+]c2C)C[C@H]1O ZINC000270944738 171085044 /nfs/dbraw/zinc/08/50/44/171085044.db2.gz ZHCCOJCDIVIUHZ-VXGBXAGGSA-N 2 2 223.320 0.894 20 0 BCADLP CC[C@@H]1C[N@@H+](CCn2cc[nH+]c2C)C[C@H]1O ZINC000270944738 171085047 /nfs/dbraw/zinc/08/50/47/171085047.db2.gz ZHCCOJCDIVIUHZ-VXGBXAGGSA-N 2 2 223.320 0.894 20 0 BCADLP [NH3+]CC[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662273758 412064883 /nfs/dbraw/zinc/06/48/83/412064883.db2.gz ZWGJNEINKKNYRM-VXGBXAGGSA-N 3 2 227.352 0.036 20 0 BCADLP [NH3+]CC[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662273758 412064888 /nfs/dbraw/zinc/06/48/88/412064888.db2.gz ZWGJNEINKKNYRM-VXGBXAGGSA-N 3 2 227.352 0.036 20 0 BCADLP CC[C@@](C)([NH2+]CCn1cc[nH+]c1)C(N)=O ZINC000336721116 171176413 /nfs/dbraw/zinc/17/64/13/171176413.db2.gz DIOIXAIDKMFLKA-SNVBAGLBSA-N 2 2 210.281 0.127 20 0 BCADLP C[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)[C@@H]1CC[NH3+] ZINC000662286631 412077608 /nfs/dbraw/zinc/07/76/08/412077608.db2.gz SMBWFADGKKPOLA-JHJVBQTASA-N 3 2 241.379 0.424 20 0 BCADLP C[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)[C@@H]1CC[NH3+] ZINC000662286631 412077612 /nfs/dbraw/zinc/07/76/12/412077612.db2.gz SMBWFADGKKPOLA-JHJVBQTASA-N 3 2 241.379 0.424 20 0 BCADLP CC[C@H](C(=O)N(C)Cc1[nH+]ccn1C)[NH+](C)C ZINC000268857852 171222768 /nfs/dbraw/zinc/22/27/68/171222768.db2.gz UVGPECZMWSNCNR-SNVBAGLBSA-N 2 2 238.335 0.719 20 0 BCADLP CCc1nocc1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000662281254 412073578 /nfs/dbraw/zinc/07/35/78/412073578.db2.gz LBEKIDLGOHFRIP-NSHDSACASA-N 2 2 239.319 0.787 20 0 BCADLP CCc1nocc1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000662281254 412073583 /nfs/dbraw/zinc/07/35/83/412073583.db2.gz LBEKIDLGOHFRIP-NSHDSACASA-N 2 2 239.319 0.787 20 0 BCADLP OCC1([NH2+]Cc2ccncc2)CC[NH2+]CC1 ZINC000662283654 412076009 /nfs/dbraw/zinc/07/60/09/412076009.db2.gz IKZMVFZGICSPFO-UHFFFAOYSA-N 2 2 221.304 0.286 20 0 BCADLP C[C@@H]1CN(CC[N@H+](C)CC(C)(C)[NH3+])CCO1 ZINC000662294756 412082803 /nfs/dbraw/zinc/08/28/03/412082803.db2.gz MPAFHDKOROYGGA-LLVKDONJSA-N 2 2 229.368 0.376 20 0 BCADLP C[C@@H]1CN(CC[N@@H+](C)CC(C)(C)[NH3+])CCO1 ZINC000662294756 412082807 /nfs/dbraw/zinc/08/28/07/412082807.db2.gz MPAFHDKOROYGGA-LLVKDONJSA-N 2 2 229.368 0.376 20 0 BCADLP CN1CCC[C@@H]([N@H+](C)CC(C)(C)[NH3+])C1=O ZINC000662295821 412084079 /nfs/dbraw/zinc/08/40/79/412084079.db2.gz VNWCJCDKXIPGGP-SECBINFHSA-N 2 2 213.325 0.276 20 0 BCADLP CN1CCC[C@@H]([N@@H+](C)CC(C)(C)[NH3+])C1=O ZINC000662295821 412084081 /nfs/dbraw/zinc/08/40/81/412084081.db2.gz VNWCJCDKXIPGGP-SECBINFHSA-N 2 2 213.325 0.276 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000036301422 171323369 /nfs/dbraw/zinc/32/33/69/171323369.db2.gz LKZQZEDZNZFLNU-JTQLQIEISA-N 2 2 227.352 0.585 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000036301422 171323371 /nfs/dbraw/zinc/32/33/71/171323371.db2.gz LKZQZEDZNZFLNU-JTQLQIEISA-N 2 2 227.352 0.585 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000019843078 171324594 /nfs/dbraw/zinc/32/45/94/171324594.db2.gz KXPZVOFVYHGWFG-QWRGUYRKSA-N 2 2 227.352 0.572 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000019843078 171324596 /nfs/dbraw/zinc/32/45/96/171324596.db2.gz KXPZVOFVYHGWFG-QWRGUYRKSA-N 2 2 227.352 0.572 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000070799848 171325842 /nfs/dbraw/zinc/32/58/42/171325842.db2.gz BKOAZKZVKYEDJN-WDEREUQCSA-N 2 2 227.352 0.442 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000070799848 171325844 /nfs/dbraw/zinc/32/58/44/171325844.db2.gz BKOAZKZVKYEDJN-WDEREUQCSA-N 2 2 227.352 0.442 20 0 BCADLP [NH3+]CC[N@H+](C[C@H](O)CO)CC1CCCCCC1 ZINC000662288317 412080269 /nfs/dbraw/zinc/08/02/69/412080269.db2.gz ONCBUXZMONKMGI-ZDUSSCGKSA-N 2 2 244.379 0.571 20 0 BCADLP [NH3+]CC[N@@H+](C[C@H](O)CO)CC1CCCCCC1 ZINC000662288317 412080271 /nfs/dbraw/zinc/08/02/71/412080271.db2.gz ONCBUXZMONKMGI-ZDUSSCGKSA-N 2 2 244.379 0.571 20 0 BCADLP C[N@H+](CCOC[C@H]1CCCO1)CC(C)(C)[NH3+] ZINC000662292500 412081018 /nfs/dbraw/zinc/08/10/18/412081018.db2.gz IZZIINHZEQTADG-LLVKDONJSA-N 2 2 230.352 0.851 20 0 BCADLP C[N@@H+](CCOC[C@H]1CCCO1)CC(C)(C)[NH3+] ZINC000662292500 412081022 /nfs/dbraw/zinc/08/10/22/412081022.db2.gz IZZIINHZEQTADG-LLVKDONJSA-N 2 2 230.352 0.851 20 0 BCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000041051033 171370792 /nfs/dbraw/zinc/37/07/92/171370792.db2.gz GSJVCWRYWKUQSV-VHSXEESVSA-N 2 2 224.308 0.373 20 0 BCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)CC(C)(C)[NH3+] ZINC000662293074 412082348 /nfs/dbraw/zinc/08/23/48/412082348.db2.gz NKBNPERHDYJPMP-SNVBAGLBSA-N 2 2 229.368 0.911 20 0 BCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662293074 412082351 /nfs/dbraw/zinc/08/23/51/412082351.db2.gz NKBNPERHDYJPMP-SNVBAGLBSA-N 2 2 229.368 0.911 20 0 BCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1[nH]c[nH+]c1C ZINC000269674392 171395795 /nfs/dbraw/zinc/39/57/95/171395795.db2.gz QASNIXBNGBQWRE-XVKPBYJWSA-N 2 2 224.308 0.708 20 0 BCADLP C[C@@H](CN1CCOCC1)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662304800 412090211 /nfs/dbraw/zinc/09/02/11/412090211.db2.gz BUGGFUHYJXSQBP-HIFPTAJRSA-N 2 2 239.363 0.130 20 0 BCADLP C[C@@H](CN1CCOCC1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662304800 412090214 /nfs/dbraw/zinc/09/02/14/412090214.db2.gz BUGGFUHYJXSQBP-HIFPTAJRSA-N 2 2 239.363 0.130 20 0 BCADLP CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000662316042 412096630 /nfs/dbraw/zinc/09/66/30/412096630.db2.gz HLMSHJFTEOEVFY-WDEREUQCSA-N 2 2 227.352 0.570 20 0 BCADLP CC(C)NC(=O)[C@@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000662316042 412096634 /nfs/dbraw/zinc/09/66/34/412096634.db2.gz HLMSHJFTEOEVFY-WDEREUQCSA-N 2 2 227.352 0.570 20 0 BCADLP C[C@@H]1CCCN(C(=O)C[N@H+](C)CCC[NH3+])C1 ZINC000134163307 412102974 /nfs/dbraw/zinc/10/29/74/412102974.db2.gz ILVYPGZGMQFRJC-LLVKDONJSA-N 2 2 227.352 0.526 20 0 BCADLP C[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC[NH3+])C1 ZINC000134163307 412102977 /nfs/dbraw/zinc/10/29/77/412102977.db2.gz ILVYPGZGMQFRJC-LLVKDONJSA-N 2 2 227.352 0.526 20 0 BCADLP C[C@@]1(C(F)F)C[N@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000662335754 412107243 /nfs/dbraw/zinc/10/72/43/412107243.db2.gz QGLIBMQZNCLZBE-KOLCDFICSA-N 2 2 234.290 0.952 20 0 BCADLP C[C@@]1(C(F)F)C[N@@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000662335754 412107247 /nfs/dbraw/zinc/10/72/47/412107247.db2.gz QGLIBMQZNCLZBE-KOLCDFICSA-N 2 2 234.290 0.952 20 0 BCADLP Cc1c[nH+]c2cc(C(=O)NCCC[NH3+])ccn12 ZINC000662393081 412142754 /nfs/dbraw/zinc/14/27/54/412142754.db2.gz ATEVSHOLCAIICJ-UHFFFAOYSA-N 2 2 232.287 0.721 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](CO)C1CCC1 ZINC000665235445 412175136 /nfs/dbraw/zinc/17/51/36/412175136.db2.gz VZNNTIRSCREZRL-WXHSDQCUSA-N 2 2 242.363 0.504 20 0 BCADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000665237068 412177276 /nfs/dbraw/zinc/17/72/76/412177276.db2.gz ZMGCJYKRZLBZRV-AXTSPUMRSA-N 2 2 223.324 0.999 20 0 BCADLP Cn1cc[nH+]c1CNc1ccn(CC[NH+](C)C)n1 ZINC000344634828 412181096 /nfs/dbraw/zinc/18/10/96/412181096.db2.gz CLCBPGCWGLQLRS-UHFFFAOYSA-N 2 2 248.334 0.790 20 0 BCADLP CCn1cc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)nn1 ZINC000665245615 412188801 /nfs/dbraw/zinc/18/88/01/412188801.db2.gz NOLPMYXZRMPVMO-JQWIXIFHSA-N 2 2 237.351 0.776 20 0 BCADLP C[C@H](CS(C)(=O)=O)[NH2+]CC1([NH3+])CCCC1 ZINC000665247752 412193853 /nfs/dbraw/zinc/19/38/53/412193853.db2.gz JJKWFGXYHCTIOJ-SECBINFHSA-N 2 2 234.365 0.281 20 0 BCADLP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nc(C(N)=O)cs1 ZINC000665272972 412214065 /nfs/dbraw/zinc/21/40/65/412214065.db2.gz OFFDJANBMFWXTR-NKWVEPMBSA-N 2 2 242.348 0.457 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)[C@H]1CCOC1 ZINC000665234550 412173969 /nfs/dbraw/zinc/17/39/69/412173969.db2.gz FQCIBMDBUGBDAS-YVECIDJPSA-N 2 2 242.363 0.626 20 0 BCADLP C[N@@H+]1CCOC[C@H]1CNc1[nH+]cnc2[nH]ccc21 ZINC000624620239 412256223 /nfs/dbraw/zinc/25/62/23/412256223.db2.gz ZDXAPTRJXDLGHW-SECBINFHSA-N 2 2 247.302 0.700 20 0 BCADLP C[N@H+]1CCOC[C@H]1CNc1[nH+]cnc2[nH]ccc21 ZINC000624620239 412256226 /nfs/dbraw/zinc/25/62/26/412256226.db2.gz ZDXAPTRJXDLGHW-SECBINFHSA-N 2 2 247.302 0.700 20 0 BCADLP C[C@@H](CNC(=O)CC1([NH3+])CC1)Cn1cc[nH+]c1 ZINC000662686833 412270458 /nfs/dbraw/zinc/27/04/58/412270458.db2.gz AIRMAFKYKDXXGW-JTQLQIEISA-N 2 2 236.319 0.517 20 0 BCADLP [NH3+][C@H]1C[C@H](C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000662694275 412273435 /nfs/dbraw/zinc/27/34/35/412273435.db2.gz ZTMZBFFBJOAQRL-GMTAPVOTSA-N 2 2 248.330 0.853 20 0 BCADLP C[C@@H](CC(=O)NCC12CC(C1)C[NH2+]2)n1cc[nH+]c1 ZINC000662714680 412281402 /nfs/dbraw/zinc/28/14/02/412281402.db2.gz KQFUVMSKBJMANR-ZBOXLXRLSA-N 2 2 248.330 0.702 20 0 BCADLP C[C@@H](NCC12CC(C1)C[NH2+]2)c1[nH+]ccn1C ZINC000665278256 412220803 /nfs/dbraw/zinc/22/08/03/412220803.db2.gz ZJMGYZRMSLCJRR-GRZMOONWSA-N 2 2 220.320 0.823 20 0 BCADLP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000665278099 412221338 /nfs/dbraw/zinc/22/13/38/412221338.db2.gz VBRWLSIUJSDWDK-YIFLHPOLSA-N 3 2 235.375 0.955 20 0 BCADLP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000665278099 412221340 /nfs/dbraw/zinc/22/13/40/412221340.db2.gz VBRWLSIUJSDWDK-YIFLHPOLSA-N 3 2 235.375 0.955 20 0 BCADLP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665280144 412224365 /nfs/dbraw/zinc/22/43/65/412224365.db2.gz UNEHURXIOFSFFA-UPOSSJBDSA-N 3 2 209.337 0.455 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000662584405 412228483 /nfs/dbraw/zinc/22/84/83/412228483.db2.gz AHKBIWJFSNXSQF-NXEZZACHSA-N 2 2 236.319 0.886 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000662584405 412228485 /nfs/dbraw/zinc/22/84/85/412228485.db2.gz AHKBIWJFSNXSQF-NXEZZACHSA-N 2 2 236.319 0.886 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)CC(F)(F)C[NH3+] ZINC000662585559 412230551 /nfs/dbraw/zinc/23/05/51/412230551.db2.gz KADZWNLGHKCFCD-UHFFFAOYSA-N 2 2 232.234 0.352 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCc2c1cnn2C ZINC000665295436 412242231 /nfs/dbraw/zinc/24/22/31/412242231.db2.gz DOPZVNXQAFHVIP-KOLCDFICSA-N 2 2 222.336 0.995 20 0 BCADLP CN(CCCn1cc[nH+]c1)C(=O)CC1([NH3+])CC1 ZINC000662799952 412306676 /nfs/dbraw/zinc/30/66/76/412306676.db2.gz ODYKYHYKXNBJGP-UHFFFAOYSA-N 2 2 236.319 0.613 20 0 BCADLP CC[C@@H](C)N(CC)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000662839463 412318185 /nfs/dbraw/zinc/31/81/85/412318185.db2.gz SSSLTTVNYPDZQD-MNOVXSKESA-N 2 2 229.368 0.912 20 0 BCADLP C[C@H]1CC[NH2+][C@H](C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000662839738 412318332 /nfs/dbraw/zinc/31/83/32/412318332.db2.gz WMJXKQZXWUQIHZ-ONGXEEELSA-N 2 2 236.319 0.756 20 0 BCADLP C[C@H]1CC[NH2+][C@H](C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000662839738 412318335 /nfs/dbraw/zinc/31/83/35/412318335.db2.gz WMJXKQZXWUQIHZ-ONGXEEELSA-N 2 2 236.319 0.756 20 0 BCADLP CC[C@@H](C)N(CC)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000662839462 412318413 /nfs/dbraw/zinc/31/84/13/412318413.db2.gz SSSLTTVNYPDZQD-GHMZBOCLSA-N 2 2 229.368 0.912 20 0 BCADLP CC(C)c1nc(NC[C@@H]2C[NH2+]C[C@H]2O)cc[nH+]1 ZINC000420245152 412322464 /nfs/dbraw/zinc/32/24/64/412322464.db2.gz DXMDCVLAYJMWCM-VHSXEESVSA-N 2 2 236.319 0.592 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H]1CC[NH2+]1 ZINC000662900267 412339801 /nfs/dbraw/zinc/33/98/01/412339801.db2.gz MQEKBKMFXXYUNE-RKDXNWHRSA-N 2 2 222.292 0.442 20 0 BCADLP C[C@H](NC(=O)[C@H]1C[C@]12CC[NH2+]C2)c1[nH+]ccn1C ZINC000662934858 412349276 /nfs/dbraw/zinc/34/92/76/412349276.db2.gz RAAOJWGNIMZASX-CWSCBRNRSA-N 2 2 248.330 0.597 20 0 BCADLP C[C@@H](NC(=O)C[NH2+]C1CC1)c1[nH+]ccn1C ZINC000662934529 412349627 /nfs/dbraw/zinc/34/96/27/412349627.db2.gz OGQTZWFWWQIASE-MRVPVSSYSA-N 2 2 222.292 0.349 20 0 BCADLP C[C@H](NC(=O)CC1([NH3+])CCC1)c1[nH+]ccn1C ZINC000662934845 412349980 /nfs/dbraw/zinc/34/99/80/412349980.db2.gz QWWZLDLMDDLRBS-VIFPVBQESA-N 2 2 236.319 0.869 20 0 BCADLP COCC[N@H+](C)CCCNc1cc(C)[nH+]cn1 ZINC000352781311 412365475 /nfs/dbraw/zinc/36/54/75/412365475.db2.gz AVRMIGAUZOUCHM-UHFFFAOYSA-N 2 2 238.335 1.165 20 0 BCADLP COCC[N@@H+](C)CCCNc1cc(C)[nH+]cn1 ZINC000352781311 412365478 /nfs/dbraw/zinc/36/54/78/412365478.db2.gz AVRMIGAUZOUCHM-UHFFFAOYSA-N 2 2 238.335 1.165 20 0 BCADLP C[NH2+]CCNc1nc(C)[nH+]c2c1CCCC2 ZINC000420150876 412291161 /nfs/dbraw/zinc/29/11/61/412291161.db2.gz AJNHFSFHXWYEGH-UHFFFAOYSA-N 2 2 220.320 1.295 20 0 BCADLP [NH3+]CCCCNc1cc(NCC2CC2)nc[nH+]1 ZINC000420230978 412299418 /nfs/dbraw/zinc/29/94/18/412299418.db2.gz JHOXJANZLOURTA-UHFFFAOYSA-N 2 2 235.335 1.449 20 0 BCADLP [NH3+]CCCCNc1cc(NCC2CC2)[nH+]cn1 ZINC000420230978 412299420 /nfs/dbraw/zinc/29/94/20/412299420.db2.gz JHOXJANZLOURTA-UHFFFAOYSA-N 2 2 235.335 1.449 20 0 BCADLP O=C(NCc1c[nH+]c[nH]1)C1([NH2+]C2CC2)CCC1 ZINC000662791852 412304168 /nfs/dbraw/zinc/30/41/68/412304168.db2.gz MYSSEAOCAGFTES-UHFFFAOYSA-N 2 2 234.303 0.701 20 0 BCADLP O=C(NCc1c[nH]c[nH+]1)C1([NH2+]C2CC2)CCC1 ZINC000662791852 412304170 /nfs/dbraw/zinc/30/41/70/412304170.db2.gz MYSSEAOCAGFTES-UHFFFAOYSA-N 2 2 234.303 0.701 20 0 BCADLP CC[C@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)CCS1 ZINC000133030968 412390705 /nfs/dbraw/zinc/39/07/05/412390705.db2.gz UYIHKEUCFBABKT-QWRGUYRKSA-N 2 2 230.377 0.802 20 0 BCADLP CC[C@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)CCS1 ZINC000133030968 412390708 /nfs/dbraw/zinc/39/07/08/412390708.db2.gz UYIHKEUCFBABKT-QWRGUYRKSA-N 2 2 230.377 0.802 20 0 BCADLP Cc1cc(N2CC[C@@H](F)[C@H]([NH3+])C2)nc[nH+]1 ZINC000663276630 412406219 /nfs/dbraw/zinc/40/62/19/412406219.db2.gz GKUOJLRIJPQCBS-RKDXNWHRSA-N 2 2 210.256 0.661 20 0 BCADLP CCc1[nH+]c2ccccc2n1CC(=O)NCC[NH3+] ZINC000062807374 172014555 /nfs/dbraw/zinc/01/45/55/172014555.db2.gz WVSJJWLMHAFUMX-UHFFFAOYSA-N 2 2 246.314 0.674 20 0 BCADLP CCn1cnnc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300410893 172236966 /nfs/dbraw/zinc/23/69/66/172236966.db2.gz KNEZPDMFAAGYLY-GHMZBOCLSA-N 2 2 237.351 0.870 20 0 BCADLP CCn1cnnc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300410893 172236967 /nfs/dbraw/zinc/23/69/67/172236967.db2.gz KNEZPDMFAAGYLY-GHMZBOCLSA-N 2 2 237.351 0.870 20 0 BCADLP CCn1nccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000163084935 172268107 /nfs/dbraw/zinc/26/81/07/172268107.db2.gz KQUBIYQJYGBOMP-PHIMTYICSA-N 2 2 220.320 0.554 20 0 BCADLP CCn1nccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000163084935 172268104 /nfs/dbraw/zinc/26/81/04/172268104.db2.gz KQUBIYQJYGBOMP-PHIMTYICSA-N 2 2 220.320 0.554 20 0 BCADLP CCn1nccc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000119881596 172270404 /nfs/dbraw/zinc/27/04/04/172270404.db2.gz HAFROFFWXKHTMF-GFCCVEGCSA-N 2 2 240.351 0.305 20 0 BCADLP CN(C)C(=[NH2+])NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000360598808 172353460 /nfs/dbraw/zinc/35/34/60/172353460.db2.gz DBXTZZUDPRVJKA-UHFFFAOYSA-N 2 2 244.302 0.853 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267455525 172364977 /nfs/dbraw/zinc/36/49/77/172364977.db2.gz SVFPLRWOTUYUPV-JTQLQIEISA-N 2 2 236.319 0.677 20 0 BCADLP CN(C)C(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267455525 172364979 /nfs/dbraw/zinc/36/49/79/172364979.db2.gz SVFPLRWOTUYUPV-JTQLQIEISA-N 2 2 236.319 0.677 20 0 BCADLP CN1CCC[N@H+](CCn2cc[nH+]c2)CC1=O ZINC000375573674 173015100 /nfs/dbraw/zinc/01/51/00/173015100.db2.gz XQMLCTAVHYKFOL-UHFFFAOYSA-N 2 2 222.292 0.047 20 0 BCADLP CN1CCC[N@@H+](CCn2cc[nH+]c2)CC1=O ZINC000375573674 173015102 /nfs/dbraw/zinc/01/51/02/173015102.db2.gz XQMLCTAVHYKFOL-UHFFFAOYSA-N 2 2 222.292 0.047 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000114338546 173025095 /nfs/dbraw/zinc/02/50/95/173025095.db2.gz PYRKLKLJCPVMOA-MRVPVSSYSA-N 2 2 208.265 0.120 20 0 BCADLP C[N@H+]1CCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000114338546 173025097 /nfs/dbraw/zinc/02/50/97/173025097.db2.gz PYRKLKLJCPVMOA-MRVPVSSYSA-N 2 2 208.265 0.120 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338378197 173026886 /nfs/dbraw/zinc/02/68/86/173026886.db2.gz HURUVMQUODCSNL-UPJWGTAASA-N 2 2 240.347 0.570 20 0 BCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338378197 173026888 /nfs/dbraw/zinc/02/68/88/173026888.db2.gz HURUVMQUODCSNL-UPJWGTAASA-N 2 2 240.347 0.570 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338378197 173026890 /nfs/dbraw/zinc/02/68/90/173026890.db2.gz HURUVMQUODCSNL-UPJWGTAASA-N 2 2 240.347 0.570 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338378197 173026893 /nfs/dbraw/zinc/02/68/93/173026893.db2.gz HURUVMQUODCSNL-UPJWGTAASA-N 2 2 240.347 0.570 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC(O)(C2CC2)C1 ZINC000375711296 173029347 /nfs/dbraw/zinc/02/93/47/173029347.db2.gz LSLNTNYFLHTGAR-GFCCVEGCSA-N 2 2 224.348 0.927 20 0 BCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC(O)(C2CC2)C1 ZINC000375711296 173029349 /nfs/dbraw/zinc/02/93/49/173029349.db2.gz LSLNTNYFLHTGAR-GFCCVEGCSA-N 2 2 224.348 0.927 20 0 BCADLP C[N@@H+]1CCC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000287419094 173052970 /nfs/dbraw/zinc/05/29/70/173052970.db2.gz CWCAEFDFTVJRLR-JTQLQIEISA-N 2 2 236.319 0.553 20 0 BCADLP C[N@H+]1CCC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000287419094 173052971 /nfs/dbraw/zinc/05/29/71/173052971.db2.gz CWCAEFDFTVJRLR-JTQLQIEISA-N 2 2 236.319 0.553 20 0 BCADLP C[N@@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000263657340 173053268 /nfs/dbraw/zinc/05/32/68/173053268.db2.gz HNQLCXJNRJIZQF-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP C[N@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000263657340 173053272 /nfs/dbraw/zinc/05/32/72/173053272.db2.gz HNQLCXJNRJIZQF-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP C[NH+]1CCN(C(=O)C[NH2+]C2CCCCC2)CC1 ZINC000020035774 173066740 /nfs/dbraw/zinc/06/67/40/173066740.db2.gz LNMXDOGZCNSSFW-UHFFFAOYSA-N 2 2 239.363 0.683 20 0 BCADLP C[NH+]1CCN(C(=O)C[NH2+]C2CCCC2)CC1 ZINC000020037173 173067736 /nfs/dbraw/zinc/06/77/36/173067736.db2.gz IWVOHWQVQAZPKH-UHFFFAOYSA-N 2 2 225.336 0.293 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@H]1CCSC1 ZINC000300232791 173074902 /nfs/dbraw/zinc/07/49/02/173074902.db2.gz NFOWFIYOKQJQNF-VXGBXAGGSA-N 2 2 243.420 0.575 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H]1CCSC1 ZINC000300232791 173074904 /nfs/dbraw/zinc/07/49/04/173074904.db2.gz NFOWFIYOKQJQNF-VXGBXAGGSA-N 2 2 243.420 0.575 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C1CCC(O)CC1 ZINC000300131191 173076895 /nfs/dbraw/zinc/07/68/95/173076895.db2.gz LZDZXMCTOQMSJP-OTTFEQOBSA-N 2 2 241.379 0.125 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C1CCC(O)CC1 ZINC000300131191 173076896 /nfs/dbraw/zinc/07/68/96/173076896.db2.gz LZDZXMCTOQMSJP-OTTFEQOBSA-N 2 2 241.379 0.125 20 0 BCADLP Cn1nccc1CC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000375250876 173161486 /nfs/dbraw/zinc/16/14/86/173161486.db2.gz XMQILXMUXJVPCI-GXTWGEPZSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1nccc1CC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000375250876 173161488 /nfs/dbraw/zinc/16/14/88/173161488.db2.gz XMQILXMUXJVPCI-GXTWGEPZSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1nccc1CC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000375250876 173161490 /nfs/dbraw/zinc/16/14/90/173161490.db2.gz XMQILXMUXJVPCI-GXTWGEPZSA-N 2 2 248.374 0.989 20 0 BCADLP Cn1nccc1CC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000375250876 173161492 /nfs/dbraw/zinc/16/14/92/173161492.db2.gz XMQILXMUXJVPCI-GXTWGEPZSA-N 2 2 248.374 0.989 20 0 BCADLP CNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917648 173273844 /nfs/dbraw/zinc/27/38/44/173273844.db2.gz YRNAWBRSUBVDBK-QWRGUYRKSA-N 2 2 225.336 0.196 20 0 BCADLP CNC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917648 173273845 /nfs/dbraw/zinc/27/38/45/173273845.db2.gz YRNAWBRSUBVDBK-QWRGUYRKSA-N 2 2 225.336 0.196 20 0 BCADLP CNC(=O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000034993313 173277264 /nfs/dbraw/zinc/27/72/64/173277264.db2.gz XKPBGKJALKMKDZ-UHFFFAOYSA-N 2 2 244.298 0.708 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000309656200 173280518 /nfs/dbraw/zinc/28/05/18/173280518.db2.gz PWZXQCSBBYVSHD-MWLCHTKSSA-N 2 2 227.352 0.441 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000359087158 173280901 /nfs/dbraw/zinc/28/09/01/173280901.db2.gz WQXROGNSVJTPGN-VXGBXAGGSA-N 2 2 241.379 0.975 20 0 BCADLP CNC(=O)[C@@H](C)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000182815512 173293854 /nfs/dbraw/zinc/29/38/54/173293854.db2.gz PHFBQLDMTTYABQ-NSHDSACASA-N 2 2 238.335 0.587 20 0 BCADLP CNC(=O)[C@@H](C)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000182815512 173293855 /nfs/dbraw/zinc/29/38/55/173293855.db2.gz PHFBQLDMTTYABQ-NSHDSACASA-N 2 2 238.335 0.587 20 0 BCADLP CNC(=O)[C@@H](C)C[N@H+](C)CCn1cc[nH+]c1 ZINC000131593972 173293906 /nfs/dbraw/zinc/29/39/06/173293906.db2.gz KJOJAHMHYMLHBI-JTQLQIEISA-N 2 2 224.308 0.197 20 0 BCADLP CNC(=O)[C@@H](C)C[N@@H+](C)CCn1cc[nH+]c1 ZINC000131593972 173293907 /nfs/dbraw/zinc/29/39/07/173293907.db2.gz KJOJAHMHYMLHBI-JTQLQIEISA-N 2 2 224.308 0.197 20 0 BCADLP CNC(=O)[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000179193214 173298997 /nfs/dbraw/zinc/29/89/97/173298997.db2.gz QPTOOISTRFZWQE-JTQLQIEISA-N 2 2 222.292 0.094 20 0 BCADLP CNC(=O)[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000179193214 173298998 /nfs/dbraw/zinc/29/89/98/173298998.db2.gz QPTOOISTRFZWQE-JTQLQIEISA-N 2 2 222.292 0.094 20 0 BCADLP CNC(=O)[C@H](C)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000182815531 173301312 /nfs/dbraw/zinc/30/13/12/173301312.db2.gz PHFBQLDMTTYABQ-LLVKDONJSA-N 2 2 238.335 0.587 20 0 BCADLP CNC(=O)[C@H](C)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000182815531 173301313 /nfs/dbraw/zinc/30/13/13/173301313.db2.gz PHFBQLDMTTYABQ-LLVKDONJSA-N 2 2 238.335 0.587 20 0 BCADLP C[NH2+]C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000050530787 173322766 /nfs/dbraw/zinc/32/27/66/173322766.db2.gz VVAXTNDHDFPSPW-UHFFFAOYSA-N 2 2 208.309 0.604 20 0 BCADLP C[NH2+]CC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000019519176 173326180 /nfs/dbraw/zinc/32/61/80/173326180.db2.gz MILDOQXADOGNND-ZDUSSCGKSA-N 2 2 247.342 0.721 20 0 BCADLP C[NH2+]CC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000019519176 173326182 /nfs/dbraw/zinc/32/61/82/173326182.db2.gz MILDOQXADOGNND-ZDUSSCGKSA-N 2 2 247.342 0.721 20 0 BCADLP C[NH2+]CC(=O)NCCCNc1cccc[nH+]1 ZINC000165237661 173328673 /nfs/dbraw/zinc/32/86/73/173328673.db2.gz HUZUYPPVIRRABM-UHFFFAOYSA-N 2 2 222.292 0.219 20 0 BCADLP C[NH2+]CC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000083909221 173329730 /nfs/dbraw/zinc/32/97/30/173329730.db2.gz NXKKUANUGDPPEA-UHFFFAOYSA-N 2 2 232.287 0.478 20 0 BCADLP C[NH2+]CCCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000237170045 173344622 /nfs/dbraw/zinc/34/46/22/173344622.db2.gz JAXLKZZGJQGASN-LLVKDONJSA-N 2 2 238.335 0.635 20 0 BCADLP C[NH2+]CCC[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000336683233 173347447 /nfs/dbraw/zinc/34/74/47/173347447.db2.gz JQXKZMCQJBRUAA-MRVPVSSYSA-N 2 2 226.242 0.595 20 0 BCADLP C[NH2+]CCC[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000336683233 173347448 /nfs/dbraw/zinc/34/74/48/173347448.db2.gz JQXKZMCQJBRUAA-MRVPVSSYSA-N 2 2 226.242 0.595 20 0 BCADLP C[NH2+]CCN(C)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000120548823 173351597 /nfs/dbraw/zinc/35/15/97/173351597.db2.gz POVGWVPOIQARME-UHFFFAOYSA-N 2 2 246.314 0.555 20 0 BCADLP C[NH2+]CCNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000178707835 173355344 /nfs/dbraw/zinc/35/53/44/173355344.db2.gz RCRUKAXXKFSUKF-UHFFFAOYSA-N 2 2 246.314 0.680 20 0 BCADLP C[NH2+]C[C@@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000086065307 173362385 /nfs/dbraw/zinc/36/23/85/173362385.db2.gz PSELRLSYJMXVOT-SNVBAGLBSA-N 2 2 224.308 0.245 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC000040601199 173367575 /nfs/dbraw/zinc/36/75/75/173367575.db2.gz HDJQJUUKWFZYGU-NSHDSACASA-N 2 2 241.379 0.833 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC000040601199 173367577 /nfs/dbraw/zinc/36/75/77/173367577.db2.gz HDJQJUUKWFZYGU-NSHDSACASA-N 2 2 241.379 0.833 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C1 ZINC000251026804 173371298 /nfs/dbraw/zinc/37/12/98/173371298.db2.gz HORNWKUQWMCYSR-MNOVXSKESA-N 2 2 241.379 0.831 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(C)(C)C)C1 ZINC000251026804 173371300 /nfs/dbraw/zinc/37/13/00/173371300.db2.gz HORNWKUQWMCYSR-MNOVXSKESA-N 2 2 241.379 0.831 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cnc(C)cn2)C1 ZINC000061321548 173371333 /nfs/dbraw/zinc/37/13/33/173371333.db2.gz FDYFCXYXIXQECN-NSHDSACASA-N 2 2 220.320 0.826 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cnc(C)cn2)C1 ZINC000061321548 173371335 /nfs/dbraw/zinc/37/13/35/173371335.db2.gz FDYFCXYXIXQECN-NSHDSACASA-N 2 2 220.320 0.826 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC000070800185 173380410 /nfs/dbraw/zinc/38/04/10/173380410.db2.gz WBIXOLKTPADEBC-SNVBAGLBSA-N 2 2 225.336 0.149 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC000070800185 173380412 /nfs/dbraw/zinc/38/04/12/173380412.db2.gz WBIXOLKTPADEBC-SNVBAGLBSA-N 2 2 225.336 0.149 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N[C@H](C)C(C)C)C1 ZINC000071147472 173380529 /nfs/dbraw/zinc/38/05/29/173380529.db2.gz RQGXULMLOUEPOI-VXGBXAGGSA-N 2 2 241.379 0.688 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N[C@H](C)C(C)C)C1 ZINC000071147472 173380531 /nfs/dbraw/zinc/38/05/31/173380531.db2.gz RQGXULMLOUEPOI-VXGBXAGGSA-N 2 2 241.379 0.688 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC000070799881 173380691 /nfs/dbraw/zinc/38/06/91/173380691.db2.gz RMBLBWKLNLALHP-SNVBAGLBSA-N 2 2 227.352 0.442 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC000070799881 173380693 /nfs/dbraw/zinc/38/06/93/173380693.db2.gz RMBLBWKLNLALHP-SNVBAGLBSA-N 2 2 227.352 0.442 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000071147554 173381003 /nfs/dbraw/zinc/38/10/03/173381003.db2.gz HFEIIFZHMYEMEP-GFCCVEGCSA-N 2 2 239.363 0.540 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000071147554 173381004 /nfs/dbraw/zinc/38/10/04/173381004.db2.gz HFEIIFZHMYEMEP-GFCCVEGCSA-N 2 2 239.363 0.540 20 0 BCADLP C[NH2+]C[C@H]1CCCN1Cc1c[nH+]cn1C ZINC000133273818 173381126 /nfs/dbraw/zinc/38/11/26/173381126.db2.gz LRLLQAMUKQFUTG-SNVBAGLBSA-N 2 2 208.309 0.604 20 0 BCADLP COCCC[N@H+](C)CC[NH2+]C1CC(OC)C1 ZINC000309979777 174216672 /nfs/dbraw/zinc/21/66/72/174216672.db2.gz VQUHFNGPYXDSKE-UHFFFAOYSA-N 2 2 230.352 0.722 20 0 BCADLP COCCC[N@@H+](C)CC[NH2+]C1CC(OC)C1 ZINC000309979777 174216675 /nfs/dbraw/zinc/21/66/75/174216675.db2.gz VQUHFNGPYXDSKE-UHFFFAOYSA-N 2 2 230.352 0.722 20 0 BCADLP COCCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000363254058 174233706 /nfs/dbraw/zinc/23/37/06/174233706.db2.gz XKVOVMHDKZSDNH-CYBMUJFWSA-N 2 2 242.363 0.677 20 0 BCADLP COCCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000363254058 174233707 /nfs/dbraw/zinc/23/37/07/174233707.db2.gz XKVOVMHDKZSDNH-CYBMUJFWSA-N 2 2 242.363 0.677 20 0 BCADLP COCCC[C@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000361346497 174264245 /nfs/dbraw/zinc/26/42/45/174264245.db2.gz OWRPBTKAQUVPKB-STQMWFEESA-N 2 2 243.395 0.637 20 0 BCADLP COCCC[C@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000361346497 174264247 /nfs/dbraw/zinc/26/42/47/174264247.db2.gz OWRPBTKAQUVPKB-STQMWFEESA-N 2 2 243.395 0.637 20 0 BCADLP COCC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357642576 174275286 /nfs/dbraw/zinc/27/52/86/174275286.db2.gz CEFBHJIQTRHZBA-UHFFFAOYSA-N 2 2 216.325 0.021 20 0 BCADLP COCC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357642576 174275288 /nfs/dbraw/zinc/27/52/88/174275288.db2.gz CEFBHJIQTRHZBA-UHFFFAOYSA-N 2 2 216.325 0.021 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@H]1CCSC1 ZINC000061374960 174279165 /nfs/dbraw/zinc/27/91/65/174279165.db2.gz IRFFYLBMSONKKU-JTQLQIEISA-N 2 2 218.366 0.660 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@H]1CCSC1 ZINC000061374960 174279166 /nfs/dbraw/zinc/27/91/66/174279166.db2.gz IRFFYLBMSONKKU-JTQLQIEISA-N 2 2 218.366 0.660 20 0 BCADLP COCCN(CC[NH+](C)C)Cc1c[nH+]cn1C ZINC000289513882 174292455 /nfs/dbraw/zinc/29/24/55/174292455.db2.gz UWYRNQNMGCIWPZ-UHFFFAOYSA-N 2 2 240.351 0.430 20 0 BCADLP COCC[NH+](CCOC)CCc1c[nH+]cn1C ZINC000289376227 174296458 /nfs/dbraw/zinc/29/64/58/174296458.db2.gz PPCPGHVPVCEZCI-UHFFFAOYSA-N 2 2 241.335 0.557 20 0 BCADLP COCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115548962 174304961 /nfs/dbraw/zinc/30/49/61/174304961.db2.gz LYJBKYZMGHNZHT-UHFFFAOYSA-N 2 2 230.352 0.411 20 0 BCADLP COCC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115548962 174304962 /nfs/dbraw/zinc/30/49/62/174304962.db2.gz LYJBKYZMGHNZHT-UHFFFAOYSA-N 2 2 230.352 0.411 20 0 BCADLP COCCOCC[N@H+](C)C1(C[NH3+])CCC1 ZINC000261529215 174352226 /nfs/dbraw/zinc/35/22/26/174352226.db2.gz AJKNGIWOLAYOGG-UHFFFAOYSA-N 2 2 216.325 0.463 20 0 BCADLP COCCOCC[N@@H+](C)C1(C[NH3+])CCC1 ZINC000261529215 174352228 /nfs/dbraw/zinc/35/22/28/174352228.db2.gz AJKNGIWOLAYOGG-UHFFFAOYSA-N 2 2 216.325 0.463 20 0 BCADLP COCCOCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000181093438 174352703 /nfs/dbraw/zinc/35/27/03/174352703.db2.gz VHUJBTAJSBSARW-UHFFFAOYSA-N 2 2 241.335 0.868 20 0 BCADLP COCCOCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181093438 174352705 /nfs/dbraw/zinc/35/27/05/174352705.db2.gz VHUJBTAJSBSARW-UHFFFAOYSA-N 2 2 241.335 0.868 20 0 BCADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCC(=O)N(C)C)C1 ZINC000401640264 487628680 /nfs/dbraw/zinc/62/86/80/487628680.db2.gz GXJPQWPYXWILKB-UWVGGRQHSA-N 2 2 213.325 0.052 20 0 BCADLP [NH3+]CCCCc1cn(CCn2cc[nH+]c2)nn1 ZINC000228373475 487629797 /nfs/dbraw/zinc/62/97/97/487629797.db2.gz ULBFNPMJMCDNDI-UHFFFAOYSA-N 2 2 234.307 0.456 20 0 BCADLP CC(C)COCC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000232670041 487630414 /nfs/dbraw/zinc/63/04/14/487630414.db2.gz GHWIUFJBXRWIFT-VXGBXAGGSA-N 2 2 230.352 0.707 20 0 BCADLP CC(C)COCC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000232670041 487630417 /nfs/dbraw/zinc/63/04/17/487630417.db2.gz GHWIUFJBXRWIFT-VXGBXAGGSA-N 2 2 230.352 0.707 20 0 BCADLP COc1cc[nH+]cc1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000366331297 175376000 /nfs/dbraw/zinc/37/60/00/175376000.db2.gz VCAKBHZQQIEHTP-NSHDSACASA-N 2 2 239.250 0.730 20 0 BCADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)CC(N)=O ZINC000336752107 175654439 /nfs/dbraw/zinc/65/44/39/175654439.db2.gz VLFQIOVZQFKHSB-WDEREUQCSA-N 2 2 227.352 0.714 20 0 BCADLP C[C@@H]1CCCCN1C(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342101516 176067041 /nfs/dbraw/zinc/06/70/41/176067041.db2.gz LEGQISXWWPZCQK-LLVKDONJSA-N 2 2 239.363 0.858 20 0 BCADLP C[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)[C@H]1CO ZINC000305694098 176100286 /nfs/dbraw/zinc/10/02/86/176100286.db2.gz STSFTIBUYZZOLG-NEPJUHHUSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)[C@H]1CO ZINC000305694098 176100287 /nfs/dbraw/zinc/10/02/87/176100287.db2.gz STSFTIBUYZZOLG-NEPJUHHUSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H]1CC[N@H+](CC2(C[NH3+])CC2)C[C@@H]1C[NH3+] ZINC000331366507 176167845 /nfs/dbraw/zinc/16/78/45/176167845.db2.gz DFKSQRLSPBOTJQ-MNOVXSKESA-N 3 2 211.353 0.642 20 0 BCADLP C[C@@H]1CC[N@@H+](CC2(C[NH3+])CC2)C[C@@H]1C[NH3+] ZINC000331366507 176167847 /nfs/dbraw/zinc/16/78/47/176167847.db2.gz DFKSQRLSPBOTJQ-MNOVXSKESA-N 3 2 211.353 0.642 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cnc2cnccn12 ZINC000333094974 176186436 /nfs/dbraw/zinc/18/64/36/176186436.db2.gz CZTICOHMSCESEG-ZYHUDNBSSA-N 2 2 245.330 0.817 20 0 BCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)c1coc(C[NH3+])c1 ZINC000336423220 176267825 /nfs/dbraw/zinc/26/78/25/176267825.db2.gz ZCDDWQZMALPBLP-SECBINFHSA-N 2 2 237.303 0.514 20 0 BCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1coc(C[NH3+])c1 ZINC000336423220 176267827 /nfs/dbraw/zinc/26/78/27/176267827.db2.gz ZCDDWQZMALPBLP-SECBINFHSA-N 2 2 237.303 0.514 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000336782398 176271751 /nfs/dbraw/zinc/27/17/51/176271751.db2.gz XMICIKYXLYTSRV-OLZOCXBDSA-N 2 2 223.364 0.788 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000336782398 176271753 /nfs/dbraw/zinc/27/17/53/176271753.db2.gz XMICIKYXLYTSRV-OLZOCXBDSA-N 2 2 223.364 0.788 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](O)C(F)F ZINC000308661819 176273500 /nfs/dbraw/zinc/27/35/00/176273500.db2.gz QGWQROVUXRDFKZ-GJMOJQLCSA-N 2 2 208.252 0.152 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](O)C(F)F ZINC000308661819 176273501 /nfs/dbraw/zinc/27/35/01/176273501.db2.gz QGWQROVUXRDFKZ-GJMOJQLCSA-N 2 2 208.252 0.152 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000358085065 176274723 /nfs/dbraw/zinc/27/47/23/176274723.db2.gz MCIHZZCYJNAVJN-MFKMUULPSA-N 2 2 247.342 0.825 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000358085065 176274725 /nfs/dbraw/zinc/27/47/25/176274725.db2.gz MCIHZZCYJNAVJN-MFKMUULPSA-N 2 2 247.342 0.825 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000362764516 176275907 /nfs/dbraw/zinc/27/59/07/176275907.db2.gz CDNZTKNTLXIJCV-NXEZZACHSA-N 2 2 236.319 0.266 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000362764516 176275909 /nfs/dbraw/zinc/27/59/09/176275909.db2.gz CDNZTKNTLXIJCV-NXEZZACHSA-N 2 2 236.319 0.266 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000309827571 176277682 /nfs/dbraw/zinc/27/76/82/176277682.db2.gz XPQVVEBQCBRIRU-GMTAPVOTSA-N 2 2 225.336 0.147 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000309827571 176277683 /nfs/dbraw/zinc/27/76/83/176277683.db2.gz XPQVVEBQCBRIRU-GMTAPVOTSA-N 2 2 225.336 0.147 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cnnn1C ZINC000352598979 176278822 /nfs/dbraw/zinc/27/88/22/176278822.db2.gz WRHUFCFWCITYIO-FOGDFJRCSA-N 2 2 237.351 0.633 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cnnn1C ZINC000352598979 176278823 /nfs/dbraw/zinc/27/88/23/176278823.db2.gz WRHUFCFWCITYIO-FOGDFJRCSA-N 2 2 237.351 0.633 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000361232272 176280537 /nfs/dbraw/zinc/28/05/37/176280537.db2.gz XXNMEYNELWPRSA-FDYHWXHSSA-N 3 2 243.395 0.227 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000361232272 176280539 /nfs/dbraw/zinc/28/05/39/176280539.db2.gz XXNMEYNELWPRSA-FDYHWXHSSA-N 3 2 243.395 0.227 20 0 BCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](C)C[C@H]2C)CCO1 ZINC000337247688 176290486 /nfs/dbraw/zinc/29/04/86/176290486.db2.gz KJXHAAPYTKICAX-CHWSQXEVSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](C)C[C@H]2C)CCO1 ZINC000337247688 176290487 /nfs/dbraw/zinc/29/04/87/176290487.db2.gz KJXHAAPYTKICAX-CHWSQXEVSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1C[NH+](CCN2CC[N@H+](C)C[C@H]2C)CCO1 ZINC000337247688 176290489 /nfs/dbraw/zinc/29/04/89/176290489.db2.gz KJXHAAPYTKICAX-CHWSQXEVSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](C)C[C@H]2C)CCO1 ZINC000337247688 176290491 /nfs/dbraw/zinc/29/04/91/176290491.db2.gz KJXHAAPYTKICAX-CHWSQXEVSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000365335170 176327688 /nfs/dbraw/zinc/32/76/88/176327688.db2.gz TZLLVCUSMKCRBE-VGMNWLOBSA-N 2 2 247.289 0.098 20 0 BCADLP C[C@@H](C[NH2+][C@@H]1CCOC[C@H]1C)[NH+](C)C ZINC000300871849 176344195 /nfs/dbraw/zinc/34/41/95/176344195.db2.gz PUGJGRRBFQEKJM-OUAUKWLOSA-N 2 2 200.326 0.951 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]Cc2nccn2C)CC[N@@H+]1C ZINC000090721190 176378351 /nfs/dbraw/zinc/37/83/51/176378351.db2.gz UILMUSGYSSMWFJ-MNOVXSKESA-N 2 2 222.336 0.992 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]Cc2nccn2C)CC[N@H+]1C ZINC000090721190 176378353 /nfs/dbraw/zinc/37/83/53/176378353.db2.gz UILMUSGYSSMWFJ-MNOVXSKESA-N 2 2 222.336 0.992 20 0 BCADLP C[C@H]1CCC[N@H+](CCn2cccn2)[C@H]1C[NH3+] ZINC000251599634 177099957 /nfs/dbraw/zinc/09/99/57/177099957.db2.gz BQSZEHURVYFZKB-RYUDHWBXSA-N 2 2 222.336 0.942 20 0 BCADLP C[C@H]1CCC[N@@H+](CCn2cccn2)[C@H]1C[NH3+] ZINC000251599634 177099960 /nfs/dbraw/zinc/09/99/60/177099960.db2.gz BQSZEHURVYFZKB-RYUDHWBXSA-N 2 2 222.336 0.942 20 0 BCADLP C[C@H]1CCCN(Cc2[nH+]ccn2C)[C@@H]1C[NH3+] ZINC000069727029 177103471 /nfs/dbraw/zinc/10/34/71/177103471.db2.gz GFSAIZUZSFSEAE-WDEREUQCSA-N 2 2 222.336 0.979 20 0 BCADLP C[C@H]1CCN(C(=O)C2C[NH2+]C2)C[C@@H]1n1cc[nH+]c1 ZINC000367861623 177145981 /nfs/dbraw/zinc/14/59/81/177145981.db2.gz STQOTCSDJSOMPA-JQWIXIFHSA-N 2 2 248.330 0.512 20 0 BCADLP C[C@H]1CC[N@H+](CC2(C[NH3+])CC2)C[C@@H]1C[NH3+] ZINC000331366508 177158581 /nfs/dbraw/zinc/15/85/81/177158581.db2.gz DFKSQRLSPBOTJQ-QWRGUYRKSA-N 3 2 211.353 0.642 20 0 BCADLP C[C@H]1CC[N@@H+](CC2(C[NH3+])CC2)C[C@@H]1C[NH3+] ZINC000331366508 177158584 /nfs/dbraw/zinc/15/85/84/177158584.db2.gz DFKSQRLSPBOTJQ-QWRGUYRKSA-N 3 2 211.353 0.642 20 0 BCADLP C[C@H]1CC[NH2+][C@@H](C(=O)NCc2[nH+]ccn2C)C1 ZINC000127198191 177175397 /nfs/dbraw/zinc/17/53/97/177175397.db2.gz NTHQIMUPJWQNTM-VHSXEESVSA-N 2 2 236.319 0.424 20 0 BCADLP C[C@H]1CC[NH2+][C@H](C(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000127166270 177175445 /nfs/dbraw/zinc/17/54/45/177175445.db2.gz WHTWQCWPAOGIQG-QWRGUYRKSA-N 2 2 248.330 0.613 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000362782110 177233773 /nfs/dbraw/zinc/23/37/73/177233773.db2.gz PRTIZROTJHVFBM-QWRGUYRKSA-N 2 2 248.330 0.423 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000362782110 177233774 /nfs/dbraw/zinc/23/37/74/177233774.db2.gz PRTIZROTJHVFBM-QWRGUYRKSA-N 2 2 248.330 0.423 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCCCO ZINC000308658159 177235479 /nfs/dbraw/zinc/23/54/79/177235479.db2.gz OXQSRPWPLRBDPX-QWRGUYRKSA-N 2 2 200.326 0.689 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCCCO ZINC000308658159 177235481 /nfs/dbraw/zinc/23/54/81/177235481.db2.gz OXQSRPWPLRBDPX-QWRGUYRKSA-N 2 2 200.326 0.689 20 0 BCADLP C[C@H]1CN(C)C[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000309744144 177235505 /nfs/dbraw/zinc/23/55/05/177235505.db2.gz FCBGGTXBLRFEEC-RYUDHWBXSA-N 2 2 222.336 0.813 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000309744144 177235507 /nfs/dbraw/zinc/23/55/07/177235507.db2.gz FCBGGTXBLRFEEC-RYUDHWBXSA-N 3 2 222.336 0.813 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000309744144 177235509 /nfs/dbraw/zinc/23/55/09/177235509.db2.gz FCBGGTXBLRFEEC-RYUDHWBXSA-N 3 2 222.336 0.813 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CCOCC1 ZINC000335605716 177236815 /nfs/dbraw/zinc/23/68/15/177236815.db2.gz FEVJBOVTMMQSLK-JQWIXIFHSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CCOCC1 ZINC000335605716 177236817 /nfs/dbraw/zinc/23/68/17/177236817.db2.gz FEVJBOVTMMQSLK-JQWIXIFHSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCC(O)CC1 ZINC000309105277 177237234 /nfs/dbraw/zinc/23/72/34/177237234.db2.gz HQOWUKLADLOCDL-WNYYMSAVSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCC(O)CC1 ZINC000309105277 177237235 /nfs/dbraw/zinc/23/72/35/177237235.db2.gz HQOWUKLADLOCDL-WNYYMSAVSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(CCO)CC1 ZINC000336756265 177237335 /nfs/dbraw/zinc/23/73/35/177237335.db2.gz JGSUHVRTJJCUNK-WDEREUQCSA-N 2 2 212.337 0.689 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(CCO)CC1 ZINC000336756265 177237336 /nfs/dbraw/zinc/23/73/36/177237336.db2.gz JGSUHVRTJJCUNK-WDEREUQCSA-N 2 2 212.337 0.689 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1=CCCOC1 ZINC000309098954 177237753 /nfs/dbraw/zinc/23/77/53/177237753.db2.gz DXGZZYFEVUTGFI-CMPLNLGQSA-N 2 2 210.321 0.873 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1=CCCOC1 ZINC000309098954 177237755 /nfs/dbraw/zinc/23/77/55/177237755.db2.gz DXGZZYFEVUTGFI-CMPLNLGQSA-N 2 2 210.321 0.873 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336740541 177239458 /nfs/dbraw/zinc/23/94/58/177239458.db2.gz MJAIEGZXZVVCLB-QJPTWQEYSA-N 2 2 222.336 0.811 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336740541 177239459 /nfs/dbraw/zinc/23/94/59/177239459.db2.gz MJAIEGZXZVVCLB-QJPTWQEYSA-N 2 2 222.336 0.811 20 0 BCADLP C[C@H](CCCO)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336658344 177239772 /nfs/dbraw/zinc/23/97/72/177239772.db2.gz QDWILYOYIVCKMX-HBNTYKKESA-N 2 2 200.326 0.687 20 0 BCADLP C[C@H](CCCO)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336658344 177239773 /nfs/dbraw/zinc/23/97/73/177239773.db2.gz QDWILYOYIVCKMX-HBNTYKKESA-N 2 2 200.326 0.687 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1ncn(C)n1 ZINC000358393186 177241527 /nfs/dbraw/zinc/24/15/27/177241527.db2.gz GESZBEQWHYUKOC-CMPLNLGQSA-N 2 2 249.362 0.430 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1ncn(C)n1 ZINC000358393186 177241529 /nfs/dbraw/zinc/24/15/29/177241529.db2.gz GESZBEQWHYUKOC-CMPLNLGQSA-N 2 2 249.362 0.430 20 0 BCADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000336550891 177243179 /nfs/dbraw/zinc/24/31/79/177243179.db2.gz WOXVYBOVQGLZBX-QWRGUYRKSA-N 2 2 225.336 0.101 20 0 BCADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000336550891 177243180 /nfs/dbraw/zinc/24/31/80/177243180.db2.gz WOXVYBOVQGLZBX-QWRGUYRKSA-N 2 2 225.336 0.101 20 0 BCADLP C[C@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@H](CO)O1 ZINC000191783919 177251876 /nfs/dbraw/zinc/25/18/76/177251876.db2.gz JNBGYNQFDXKSDT-NWDGAFQWSA-N 2 2 239.319 0.355 20 0 BCADLP C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@H](CO)O1 ZINC000191783919 177251877 /nfs/dbraw/zinc/25/18/77/177251877.db2.gz JNBGYNQFDXKSDT-NWDGAFQWSA-N 2 2 239.319 0.355 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000066475456 177259182 /nfs/dbraw/zinc/25/91/82/177259182.db2.gz YQZFKZQDQXVWEJ-GRYCIOLGSA-N 2 2 239.319 0.353 20 0 BCADLP C[C@@H]1C[N@H+](C[C@H](O)Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000066475456 177259184 /nfs/dbraw/zinc/25/91/84/177259184.db2.gz YQZFKZQDQXVWEJ-GRYCIOLGSA-N 2 2 239.319 0.353 20 0 BCADLP C[C@@H]1CN(Cc2[nH+]ccn2C)C[C@H](C)[NH2+]1 ZINC000069629368 177271643 /nfs/dbraw/zinc/27/16/43/177271643.db2.gz NXGNQEMWBPINPA-AOOOYVTPSA-N 2 2 208.309 0.602 20 0 BCADLP C[C@H]1CN(Cc2[nH+]ccn2C)CC[C@@H]1[NH3+] ZINC000070853635 177272349 /nfs/dbraw/zinc/27/23/49/177272349.db2.gz AUJHLPGDVAHSDH-UWVGGRQHSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@H]1C[N@H+](Cc2nccn2C)CC[C@@H]1[NH3+] ZINC000070853635 177272350 /nfs/dbraw/zinc/27/23/50/177272350.db2.gz AUJHLPGDVAHSDH-UWVGGRQHSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@H]1C[N@@H+](Cc2nccn2C)CC[C@@H]1[NH3+] ZINC000070853635 177272352 /nfs/dbraw/zinc/27/23/52/177272352.db2.gz AUJHLPGDVAHSDH-UWVGGRQHSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nccn1C ZINC000126937619 177362387 /nfs/dbraw/zinc/36/23/87/177362387.db2.gz CTZAXYASLUJQIO-VHSXEESVSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nccn1C ZINC000126937619 177362388 /nfs/dbraw/zinc/36/23/88/177362388.db2.gz CTZAXYASLUJQIO-VHSXEESVSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@H]1C[C@H]([NH+](C)CCn2cncn2)CC[N@@H+]1C ZINC000336688277 177365490 /nfs/dbraw/zinc/36/54/90/177365490.db2.gz GZXZMSYRHMRLCB-NWDGAFQWSA-N 2 2 237.351 0.693 20 0 BCADLP C[C@H]1C[C@H]([NH+](C)CCn2cncn2)CC[N@H+]1C ZINC000336688277 177365492 /nfs/dbraw/zinc/36/54/92/177365492.db2.gz GZXZMSYRHMRLCB-NWDGAFQWSA-N 2 2 237.351 0.693 20 0 BCADLP C[C@H]1C[C@H]([N@H+](C)CCn2cncn2)CC[NH+]1C ZINC000336688277 177365493 /nfs/dbraw/zinc/36/54/93/177365493.db2.gz GZXZMSYRHMRLCB-NWDGAFQWSA-N 2 2 237.351 0.693 20 0 BCADLP C[C@H]1C[C@H]([N@@H+](C)CCn2cncn2)CC[NH+]1C ZINC000336688277 177365494 /nfs/dbraw/zinc/36/54/94/177365494.db2.gz GZXZMSYRHMRLCB-NWDGAFQWSA-N 2 2 237.351 0.693 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1nncn1C ZINC000038007810 177371270 /nfs/dbraw/zinc/37/12/70/177371270.db2.gz WDKAFJDLGVGCEK-VWYCJHECSA-N 2 2 237.351 0.633 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1nncn1C ZINC000038007810 177371273 /nfs/dbraw/zinc/37/12/73/177371273.db2.gz WDKAFJDLGVGCEK-VWYCJHECSA-N 2 2 237.351 0.633 20 0 BCADLP C[C@H]1OCC[N@H+](CCn2cc[nH+]c2)[C@@H]1C ZINC000162281314 177398043 /nfs/dbraw/zinc/39/80/43/177398043.db2.gz SPIDKFMSBCAZPH-GHMZBOCLSA-N 2 2 209.293 0.992 20 0 BCADLP C[C@H]1OCC[N@@H+](CCn2cc[nH+]c2)[C@@H]1C ZINC000162281314 177398044 /nfs/dbraw/zinc/39/80/44/177398044.db2.gz SPIDKFMSBCAZPH-GHMZBOCLSA-N 2 2 209.293 0.992 20 0 BCADLP CCn1cnnc1CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000674882782 487643125 /nfs/dbraw/zinc/64/31/25/487643125.db2.gz YOPOZRNNBOGBQP-MNOVXSKESA-N 2 2 237.351 0.380 20 0 BCADLP CCn1cnnc1CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000674882782 487643131 /nfs/dbraw/zinc/64/31/31/487643131.db2.gz YOPOZRNNBOGBQP-MNOVXSKESA-N 2 2 237.351 0.380 20 0 BCADLP CCn1cnnc1CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000674882783 487643725 /nfs/dbraw/zinc/64/37/25/487643725.db2.gz YOPOZRNNBOGBQP-QWRGUYRKSA-N 2 2 237.351 0.380 20 0 BCADLP CCn1cnnc1CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000674882783 487643728 /nfs/dbraw/zinc/64/37/28/487643728.db2.gz YOPOZRNNBOGBQP-QWRGUYRKSA-N 2 2 237.351 0.380 20 0 BCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492760905 226047954 /nfs/dbraw/zinc/04/79/54/226047954.db2.gz FHDSVLLTGIGLBP-BYCRGOAPSA-N 2 2 248.330 0.976 20 0 BCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492760905 226047958 /nfs/dbraw/zinc/04/79/58/226047958.db2.gz FHDSVLLTGIGLBP-BYCRGOAPSA-N 2 2 248.330 0.976 20 0 BCADLP C[NH+](C)CCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492861832 226069715 /nfs/dbraw/zinc/06/97/15/226069715.db2.gz QQTDLYQFQVQDEB-WAYWQWQTSA-N 2 2 236.319 0.881 20 0 BCADLP C[NH+](C)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492913275 226082321 /nfs/dbraw/zinc/08/23/21/226082321.db2.gz QDMWJUAQYCEHKI-ARJAWSKDSA-N 2 2 208.265 0.101 20 0 BCADLP C[NH+](C)[C@@H]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493293872 226177822 /nfs/dbraw/zinc/17/78/22/226177822.db2.gz MEDOJNGSGRAMDV-FOQNGQEVSA-N 2 2 248.330 0.976 20 0 BCADLP Cn1c[nH+]cc1CCNC(=O)/C=C/C[NH+](C)C ZINC000493448644 226219356 /nfs/dbraw/zinc/21/93/56/226219356.db2.gz ITHFETINRKKVSL-SNAWJCMRSA-N 2 2 236.319 0.197 20 0 BCADLP C[NH+](C)C1CN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493528983 226239148 /nfs/dbraw/zinc/23/91/48/226239148.db2.gz SUPCTRQAMCQWMM-ONEGZZNKSA-N 2 2 220.276 0.195 20 0 BCADLP C[C@H](CNC(=O)/C=C\c1[nH]cc[nH+]1)C[NH+](C)C ZINC000493535843 226241101 /nfs/dbraw/zinc/24/11/01/226241101.db2.gz YZZYAHVLBYQQLG-UMCURTJPSA-N 2 2 236.319 0.737 20 0 BCADLP CN(CCC[NH+](C)C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493535193 226241279 /nfs/dbraw/zinc/24/12/79/226241279.db2.gz ZPKWQFUHYXCTPX-AATRIKPKSA-N 2 2 236.319 0.833 20 0 BCADLP C[NH+](C)C/C=C\C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000493664315 226248218 /nfs/dbraw/zinc/24/82/18/226248218.db2.gz ZNSPXLJYYAMYDQ-WAYWQWQTSA-N 2 2 236.319 0.879 20 0 BCADLP COCC(C)(C)C[NH2+]CCC[NH+]1CCOCC1 ZINC000494375196 226264683 /nfs/dbraw/zinc/26/46/83/226264683.db2.gz OGNCPSDAIMBAQV-UHFFFAOYSA-N 2 2 244.379 0.971 20 0 BCADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1nncn1C ZINC000494789637 226269566 /nfs/dbraw/zinc/26/95/66/226269566.db2.gz DAXCZWITHWVUPD-MNOVXSKESA-N 2 2 237.351 0.950 20 0 BCADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1nncn1C ZINC000494789637 226269567 /nfs/dbraw/zinc/26/95/67/226269567.db2.gz DAXCZWITHWVUPD-MNOVXSKESA-N 2 2 237.351 0.950 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000226029119 487653416 /nfs/dbraw/zinc/65/34/16/487653416.db2.gz SQXZKZXRZBTSMG-QWRGUYRKSA-N 2 2 227.352 0.572 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000226029119 487653421 /nfs/dbraw/zinc/65/34/21/487653421.db2.gz SQXZKZXRZBTSMG-QWRGUYRKSA-N 2 2 227.352 0.572 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000315072421 487670627 /nfs/dbraw/zinc/67/06/27/487670627.db2.gz LWYZJXWHOBPDJE-LLVKDONJSA-N 3 2 222.336 0.776 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000315072421 487670633 /nfs/dbraw/zinc/67/06/33/487670633.db2.gz LWYZJXWHOBPDJE-LLVKDONJSA-N 3 2 222.336 0.776 20 0 BCADLP C[NH+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000194537364 229163660 /nfs/dbraw/zinc/16/36/60/229163660.db2.gz ZMAXADMLPGAXNM-UHFFFAOYSA-N 2 2 222.336 0.909 20 0 BCADLP C[NH+](C)C[C@@]1(O)CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000639761142 487674414 /nfs/dbraw/zinc/67/44/14/487674414.db2.gz KHLTWPNTVRGKMH-LBPRGKRZSA-N 2 2 238.335 0.298 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@](C)(OC)C1 ZINC000383835130 487676685 /nfs/dbraw/zinc/67/66/85/487676685.db2.gz YJNGAYTTXHDAML-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@](C)(OC)C1 ZINC000383835130 487676691 /nfs/dbraw/zinc/67/66/91/487676691.db2.gz YJNGAYTTXHDAML-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@](C)(OC)C1 ZINC000383835130 487676699 /nfs/dbraw/zinc/67/66/99/487676699.db2.gz YJNGAYTTXHDAML-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@](C)(OC)C1 ZINC000383835130 487676702 /nfs/dbraw/zinc/67/67/02/487676702.db2.gz YJNGAYTTXHDAML-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C1([NH3+])CCC1 ZINC000088051294 487696482 /nfs/dbraw/zinc/69/64/82/487696482.db2.gz DHJXEIOOLIYCBU-UHFFFAOYSA-N 2 2 208.265 0.250 20 0 BCADLP [NH3+][C@H]1CCC[C@H]([NH2+]CC(F)(F)CO)C1 ZINC000228648195 487699857 /nfs/dbraw/zinc/69/98/57/487699857.db2.gz ZHRLNMPZKMCIFF-YUMQZZPRSA-N 2 2 208.252 0.474 20 0 BCADLP CC(C)[NH2+]CCC(=O)NCc1c[nH+]c[nH]1 ZINC000084081070 487703203 /nfs/dbraw/zinc/70/32/03/487703203.db2.gz PYYBLDOFFZSNGM-UHFFFAOYSA-N 2 2 210.281 0.414 20 0 BCADLP CC(C)[NH2+]CCC(=O)NCc1c[nH]c[nH+]1 ZINC000084081070 487703210 /nfs/dbraw/zinc/70/32/10/487703210.db2.gz PYYBLDOFFZSNGM-UHFFFAOYSA-N 2 2 210.281 0.414 20 0 BCADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCNC(=O)C2)CCC1 ZINC000097929754 487706273 /nfs/dbraw/zinc/70/62/73/487706273.db2.gz RFVLXTNOPIVQSP-LLVKDONJSA-N 2 2 239.363 0.729 20 0 BCADLP C[C@@H](C[NH2+][C@@H]1CCCNC(=O)C1)[NH+](C)C ZINC000082667526 487715229 /nfs/dbraw/zinc/71/52/29/487715229.db2.gz MTBZGAHYVMSRPJ-VHSXEESVSA-N 2 2 213.325 0.195 20 0 BCADLP CCOC(=O)CC[N@H+](CC[NH2+]C)C(C)C ZINC000903574169 584783963 /nfs/dbraw/zinc/78/39/63/584783963.db2.gz UEVVEINUCCLRAT-UHFFFAOYSA-N 2 2 216.325 0.869 20 0 BCADLP CCOC(=O)CC[N@@H+](CC[NH2+]C)C(C)C ZINC000903574169 584783964 /nfs/dbraw/zinc/78/39/64/584783964.db2.gz UEVVEINUCCLRAT-UHFFFAOYSA-N 2 2 216.325 0.869 20 0 BCADLP CCN(C)C(=O)[C@H](C)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903926586 584824318 /nfs/dbraw/zinc/82/43/18/584824318.db2.gz MQRDELYQIRODRV-JGVFFNPUSA-N 2 2 237.294 0.425 20 0 BCADLP [NH3+][C@@H](C[NH2+]CC1([NH3+])CCCC1)CC(F)F ZINC000903932566 584824706 /nfs/dbraw/zinc/82/47/06/584824706.db2.gz DVLGXTZTXWTYKS-MRVPVSSYSA-N 3 2 221.295 0.830 20 0 BCADLP CCNC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250334950 487729256 /nfs/dbraw/zinc/72/92/56/487729256.db2.gz YGAVDPHPOGLOPH-NWDGAFQWSA-N 2 2 239.363 0.587 20 0 BCADLP CCNC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250334950 487729258 /nfs/dbraw/zinc/72/92/58/487729258.db2.gz YGAVDPHPOGLOPH-NWDGAFQWSA-N 2 2 239.363 0.587 20 0 BCADLP CCOCC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000250383798 487732240 /nfs/dbraw/zinc/73/22/40/487732240.db2.gz JIYXXBVAMRZGLE-UWVGGRQHSA-N 2 2 202.298 0.071 20 0 BCADLP CCOCC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000250383798 487732244 /nfs/dbraw/zinc/73/22/44/487732244.db2.gz JIYXXBVAMRZGLE-UWVGGRQHSA-N 2 2 202.298 0.071 20 0 BCADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ncnn2C)C1 ZINC000088572164 487734357 /nfs/dbraw/zinc/73/43/57/487734357.db2.gz IWKDLXMLXUOUFV-NSHDSACASA-N 2 2 237.351 0.635 20 0 BCADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ncnn2C)C1 ZINC000088572164 487734361 /nfs/dbraw/zinc/73/43/61/487734361.db2.gz IWKDLXMLXUOUFV-NSHDSACASA-N 2 2 237.351 0.635 20 0 BCADLP C[C@H](C[NH2+]Cc1ncnn1C)C[NH+]1CCCC1 ZINC000088572214 487734385 /nfs/dbraw/zinc/73/43/85/487734385.db2.gz QYAVZBSJGISZBE-LLVKDONJSA-N 2 2 237.351 0.637 20 0 BCADLP CCn1ncnc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000088590444 487736205 /nfs/dbraw/zinc/73/62/05/487736205.db2.gz JTUJYTMTMZXJQK-JTQLQIEISA-N 2 2 234.307 0.673 20 0 BCADLP CCn1ncnc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000088590997 487736572 /nfs/dbraw/zinc/73/65/72/487736572.db2.gz QANSWNHZRRBTJZ-NSHDSACASA-N 2 2 237.351 0.729 20 0 BCADLP CCn1ncnc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000088590997 487736579 /nfs/dbraw/zinc/73/65/79/487736579.db2.gz QANSWNHZRRBTJZ-NSHDSACASA-N 2 2 237.351 0.729 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000082921395 487752765 /nfs/dbraw/zinc/75/27/65/487752765.db2.gz GXIDMHPXTCZZGU-VHSXEESVSA-N 2 2 222.292 0.127 20 0 BCADLP C[C@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)CC(C)(C)O1 ZINC000251646242 487781070 /nfs/dbraw/zinc/78/10/70/487781070.db2.gz JNBLWOULTCBLFA-WDEREUQCSA-N 2 2 228.336 0.474 20 0 BCADLP C[C@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)CC(C)(C)O1 ZINC000251646242 487781075 /nfs/dbraw/zinc/78/10/75/487781075.db2.gz JNBLWOULTCBLFA-WDEREUQCSA-N 2 2 228.336 0.474 20 0 BCADLP COc1cncc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000675895431 487788735 /nfs/dbraw/zinc/78/87/35/487788735.db2.gz ISQQSFZVLGIIOE-TXEJJXNPSA-N 2 2 233.315 0.741 20 0 BCADLP COc1cncc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000675895431 487788739 /nfs/dbraw/zinc/78/87/39/487788739.db2.gz ISQQSFZVLGIIOE-TXEJJXNPSA-N 2 2 233.315 0.741 20 0 BCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493319818 487799575 /nfs/dbraw/zinc/79/95/75/487799575.db2.gz KUHPRGZHJLLECM-RXNFCKPNSA-N 2 2 248.330 0.976 20 0 BCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493319818 487799577 /nfs/dbraw/zinc/79/95/77/487799577.db2.gz KUHPRGZHJLLECM-RXNFCKPNSA-N 2 2 248.330 0.976 20 0 BCADLP C[C@H](CCO)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000779347688 585752045 /nfs/dbraw/zinc/75/20/45/585752045.db2.gz MMUWMUXRMPWXIQ-GHMZBOCLSA-N 2 2 200.326 0.831 20 0 BCADLP C[C@H](CCO)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000779347688 585752046 /nfs/dbraw/zinc/75/20/46/585752046.db2.gz MMUWMUXRMPWXIQ-GHMZBOCLSA-N 2 2 200.326 0.831 20 0 BCADLP C[C@@H]1CCC[N@H+](CC(=O)N2CCCC2)[C@H]1C[NH3+] ZINC000252198319 487821382 /nfs/dbraw/zinc/82/13/82/487821382.db2.gz SSPZDWNISDDIQW-NEPJUHHUSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@@H]1CCC[N@@H+](CC(=O)N2CCCC2)[C@H]1C[NH3+] ZINC000252198319 487821383 /nfs/dbraw/zinc/82/13/83/487821383.db2.gz SSPZDWNISDDIQW-NEPJUHHUSA-N 2 2 239.363 0.668 20 0 BCADLP O=C1NCC[C@H]1[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000676241210 487828670 /nfs/dbraw/zinc/82/86/70/487828670.db2.gz IKCOACNNZPFSPA-GFCCVEGCSA-N 2 2 246.314 0.092 20 0 BCADLP CCn1cc[nH+]c1CN1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000252681511 487828889 /nfs/dbraw/zinc/82/88/89/487828889.db2.gz AJGLFDLLNGXGNR-QWRGUYRKSA-N 2 2 238.335 0.451 20 0 BCADLP CCc1noc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000252698590 487829239 /nfs/dbraw/zinc/82/92/39/487829239.db2.gz NYSJZTFIYTVKBJ-BDAKNGLRSA-N 2 2 224.308 0.801 20 0 BCADLP CCc1noc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000252698590 487829243 /nfs/dbraw/zinc/82/92/43/487829243.db2.gz NYSJZTFIYTVKBJ-BDAKNGLRSA-N 2 2 224.308 0.801 20 0 BCADLP C[NH2+][C@H]1CCC[N@H+](C[C@@H](COC)OC)C1 ZINC000234497100 487830443 /nfs/dbraw/zinc/83/04/43/487830443.db2.gz CEESVVWUUPBLSY-QWRGUYRKSA-N 2 2 216.325 0.332 20 0 BCADLP C[NH2+][C@H]1CCC[N@@H+](C[C@@H](COC)OC)C1 ZINC000234497100 487830447 /nfs/dbraw/zinc/83/04/47/487830447.db2.gz CEESVVWUUPBLSY-QWRGUYRKSA-N 2 2 216.325 0.332 20 0 BCADLP CC(C)Cn1ccnc1C[NH2+]CCC[NH3+] ZINC000415106604 487837905 /nfs/dbraw/zinc/83/79/05/487837905.db2.gz MXVCCRSKGIWFCT-UHFFFAOYSA-N 2 2 210.325 0.978 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)CCS1 ZINC000253079826 487846903 /nfs/dbraw/zinc/84/69/03/487846903.db2.gz UYIHKEUCFBABKT-GHMZBOCLSA-N 2 2 230.377 0.802 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)CCS1 ZINC000253079826 487846908 /nfs/dbraw/zinc/84/69/08/487846908.db2.gz UYIHKEUCFBABKT-GHMZBOCLSA-N 2 2 230.377 0.802 20 0 BCADLP C[C@H](CNC(=O)CC(C)(C)[NH3+])Cn1cc[nH+]c1 ZINC000178721216 487848761 /nfs/dbraw/zinc/84/87/61/487848761.db2.gz MSYYPWMUJBOREQ-SNVBAGLBSA-N 2 2 238.335 0.763 20 0 BCADLP COC(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373093867 487858525 /nfs/dbraw/zinc/85/85/25/487858525.db2.gz CEUCTVYFWGXISR-JTQLQIEISA-N 2 2 237.303 0.773 20 0 BCADLP COC(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373093867 487858530 /nfs/dbraw/zinc/85/85/30/487858530.db2.gz CEUCTVYFWGXISR-JTQLQIEISA-N 2 2 237.303 0.773 20 0 BCADLP CN(C)c1ncc(C[NH2+]C[C@H]2CCCC[NH2+]2)cn1 ZINC000666768230 487875371 /nfs/dbraw/zinc/87/53/71/487875371.db2.gz DKSSMNCWDBYPJP-GFCCVEGCSA-N 2 2 249.362 0.774 20 0 BCADLP CN(CCCn1cc[nH+]c1)C(=O)C(C)(C)C[NH3+] ZINC000566191448 322963515 /nfs/dbraw/zinc/96/35/15/322963515.db2.gz MBNNJWOBDZZCCY-UHFFFAOYSA-N 2 2 238.335 0.717 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C1(C[NH3+])CCCC1 ZINC000080526037 487900392 /nfs/dbraw/zinc/90/03/92/487900392.db2.gz SNGRDKIELIZELL-UHFFFAOYSA-N 2 2 236.319 0.887 20 0 BCADLP CCc1nn(C)cc1C[NH2+]C[C@@H]([NH3+])CC ZINC000666910476 487901557 /nfs/dbraw/zinc/90/15/57/487901557.db2.gz YBOUBDZQVJSOPZ-JTQLQIEISA-N 2 2 210.325 0.809 20 0 BCADLP Cc1[nH+]cc(C[N@H+](C)C[C@@H]2COCCO2)n1C ZINC000668547687 487919295 /nfs/dbraw/zinc/91/92/95/487919295.db2.gz XONOTJHTLSTOEL-GFCCVEGCSA-N 2 2 239.319 0.576 20 0 BCADLP Cc1[nH+]cc(C[N@@H+](C)C[C@@H]2COCCO2)n1C ZINC000668547687 487919300 /nfs/dbraw/zinc/91/93/00/487919300.db2.gz XONOTJHTLSTOEL-GFCCVEGCSA-N 2 2 239.319 0.576 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000652335780 487924438 /nfs/dbraw/zinc/92/44/38/487924438.db2.gz GPHUBXPADACBFN-NSHDSACASA-N 2 2 234.347 0.871 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000652335780 487924444 /nfs/dbraw/zinc/92/44/44/487924444.db2.gz GPHUBXPADACBFN-NSHDSACASA-N 2 2 234.347 0.871 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000221476626 487934591 /nfs/dbraw/zinc/93/45/91/487934591.db2.gz KZSUKPWWNVUFOS-PWSUYJOCSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000221476626 487934597 /nfs/dbraw/zinc/93/45/97/487934597.db2.gz KZSUKPWWNVUFOS-PWSUYJOCSA-N 2 2 223.320 0.894 20 0 BCADLP C[NH+](C)CC[NH2+]C1CCN(c2cnccn2)CC1 ZINC000558258995 322948177 /nfs/dbraw/zinc/94/81/77/322948177.db2.gz TXJAYLTUXPQKAK-UHFFFAOYSA-N 2 2 249.362 0.597 20 0 BCADLP C[N@@H+]1CC[C@@H](C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000562914347 323033410 /nfs/dbraw/zinc/03/34/10/323033410.db2.gz SIJQREHBBCEDQL-SNVBAGLBSA-N 2 2 234.303 0.177 20 0 BCADLP C[N@H+]1CC[C@@H](C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000562914347 323033411 /nfs/dbraw/zinc/03/34/11/323033411.db2.gz SIJQREHBBCEDQL-SNVBAGLBSA-N 2 2 234.303 0.177 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCN(C)C2=O)n1C ZINC000569746084 323039727 /nfs/dbraw/zinc/03/97/27/323039727.db2.gz XPKHHJIVAKBOMM-LLVKDONJSA-N 2 2 236.319 0.439 20 0 BCADLP CSC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000572751628 323052631 /nfs/dbraw/zinc/05/26/31/323052631.db2.gz OEUQRNLQWLUXTC-MVWJERBFSA-N 2 2 244.404 0.783 20 0 BCADLP CSC[C@H](O)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000572751628 323052632 /nfs/dbraw/zinc/05/26/32/323052632.db2.gz OEUQRNLQWLUXTC-MVWJERBFSA-N 2 2 244.404 0.783 20 0 BCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]C2CCC2)C[C@@H](C)O1 ZINC000570273002 323054505 /nfs/dbraw/zinc/05/45/05/323054505.db2.gz LLMXJKLRKLQVQV-WZRBSPASSA-N 2 2 242.363 0.599 20 0 BCADLP CSCC[C@@H](CO)[NH2+]Cc1c[nH+]c(C)n1C ZINC000570345405 323057083 /nfs/dbraw/zinc/05/70/83/323057083.db2.gz MELFMSISLHBQNU-JTQLQIEISA-N 2 2 243.376 0.932 20 0 BCADLP COCC[NH2+]Cc1nc([C@H]([NH3+])CC(C)C)no1 ZINC000570396080 323058342 /nfs/dbraw/zinc/05/83/42/323058342.db2.gz QEWDGJURMJZUIG-SECBINFHSA-N 2 2 242.323 0.852 20 0 BCADLP C[NH2+]Cc1noc([C@H]2CC23CC[NH2+]CC3)n1 ZINC000570841751 323072347 /nfs/dbraw/zinc/07/23/47/323072347.db2.gz NBBBESNIOVIZOR-MRVPVSSYSA-N 2 2 222.292 0.646 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(F)C1 ZINC000572659708 323072711 /nfs/dbraw/zinc/07/27/11/323072711.db2.gz NWSIMJGKJXQGCQ-QWRGUYRKSA-N 2 2 218.316 0.733 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(F)C1 ZINC000572659708 323072712 /nfs/dbraw/zinc/07/27/12/323072712.db2.gz NWSIMJGKJXQGCQ-QWRGUYRKSA-N 2 2 218.316 0.733 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000572659708 323072713 /nfs/dbraw/zinc/07/27/13/323072713.db2.gz NWSIMJGKJXQGCQ-QWRGUYRKSA-N 2 2 218.316 0.733 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@](C)(F)C1 ZINC000572659708 323072714 /nfs/dbraw/zinc/07/27/14/323072714.db2.gz NWSIMJGKJXQGCQ-QWRGUYRKSA-N 2 2 218.316 0.733 20 0 BCADLP Cn1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000563134974 323094558 /nfs/dbraw/zinc/09/45/58/323094558.db2.gz BIPCYMAKOPWGLR-ZDUSSCGKSA-N 2 2 234.347 0.996 20 0 BCADLP Cn1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000563134974 323094559 /nfs/dbraw/zinc/09/45/59/323094559.db2.gz BIPCYMAKOPWGLR-ZDUSSCGKSA-N 2 2 234.347 0.996 20 0 BCADLP Cc1cc(C[NH+]2CCN(CCC[NH3+])CC2)on1 ZINC000563215081 323102867 /nfs/dbraw/zinc/10/28/67/323102867.db2.gz JQXZPPLQVRTTGU-UHFFFAOYSA-N 2 2 238.335 0.449 20 0 BCADLP Cc1cc(CN2CC[NH+](CCC[NH3+])CC2)on1 ZINC000563215081 323102868 /nfs/dbraw/zinc/10/28/68/323102868.db2.gz JQXZPPLQVRTTGU-UHFFFAOYSA-N 2 2 238.335 0.449 20 0 BCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000401651735 323105147 /nfs/dbraw/zinc/10/51/47/323105147.db2.gz QIIMSLKCPGIWID-YPMHNXCESA-N 3 2 236.363 0.892 20 0 BCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000401651735 323105148 /nfs/dbraw/zinc/10/51/48/323105148.db2.gz QIIMSLKCPGIWID-YPMHNXCESA-N 3 2 236.363 0.892 20 0 BCADLP COc1ccnc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000563422679 323124309 /nfs/dbraw/zinc/12/43/09/323124309.db2.gz ACTAOVWJUMFKJZ-ZJUUUORDSA-N 2 2 236.319 0.845 20 0 BCADLP CC(C)OC[C@@H]1C[N@H+](CCC[NH3+])CCO1 ZINC000563435862 323125505 /nfs/dbraw/zinc/12/55/05/323125505.db2.gz YHDFJQFYFIUENF-NSHDSACASA-N 2 2 216.325 0.461 20 0 BCADLP CC(C)OC[C@@H]1C[N@@H+](CCC[NH3+])CCO1 ZINC000563435862 323125506 /nfs/dbraw/zinc/12/55/06/323125506.db2.gz YHDFJQFYFIUENF-NSHDSACASA-N 2 2 216.325 0.461 20 0 BCADLP COc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1 ZINC000258856523 323146470 /nfs/dbraw/zinc/14/64/70/323146470.db2.gz GORATHLWMGHIBN-ZDUSSCGKSA-N 2 2 236.315 0.773 20 0 BCADLP COC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535313781 323170304 /nfs/dbraw/zinc/17/03/04/323170304.db2.gz OJCQWTVCLYTTCI-NXEZZACHSA-N 2 2 237.303 0.771 20 0 BCADLP COC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535313781 323170305 /nfs/dbraw/zinc/17/03/05/323170305.db2.gz OJCQWTVCLYTTCI-NXEZZACHSA-N 2 2 237.303 0.771 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535316165 323170349 /nfs/dbraw/zinc/17/03/49/323170349.db2.gz VMKBJFAYSCYGIE-JTQLQIEISA-N 2 2 236.319 0.346 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535316165 323170350 /nfs/dbraw/zinc/17/03/50/323170350.db2.gz VMKBJFAYSCYGIE-JTQLQIEISA-N 2 2 236.319 0.346 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC000535313734 323170355 /nfs/dbraw/zinc/17/03/55/323170355.db2.gz JLXHGNKQHIYTEU-SNVBAGLBSA-N 2 2 248.330 0.488 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000535313734 323170356 /nfs/dbraw/zinc/17/03/56/323170356.db2.gz JLXHGNKQHIYTEU-SNVBAGLBSA-N 2 2 248.330 0.488 20 0 BCADLP C[N@H+](CCC[NH3+])Cc1cnc2cnccn12 ZINC000563810435 323178423 /nfs/dbraw/zinc/17/84/23/323178423.db2.gz LVXWUNJEDKVXCS-UHFFFAOYSA-N 2 2 219.292 0.510 20 0 BCADLP C[N@@H+](CCC[NH3+])Cc1cnc2cnccn12 ZINC000563810435 323178424 /nfs/dbraw/zinc/17/84/24/323178424.db2.gz LVXWUNJEDKVXCS-UHFFFAOYSA-N 2 2 219.292 0.510 20 0 BCADLP Cc1cc(C)c(CNC(=O)N[C@@H]2CC[NH2+]C2)c[nH+]1 ZINC000334964055 323184396 /nfs/dbraw/zinc/18/43/96/323184396.db2.gz IVJIVDXBBCZFGU-GFCCVEGCSA-N 2 2 248.330 0.860 20 0 BCADLP CC(C)N(C)C(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000395014875 323185094 /nfs/dbraw/zinc/18/50/94/323185094.db2.gz KPJDPTYENOALAJ-UHFFFAOYSA-N 2 2 213.325 0.275 20 0 BCADLP CC(C)N(C)C(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000395014875 323185095 /nfs/dbraw/zinc/18/50/95/323185095.db2.gz KPJDPTYENOALAJ-UHFFFAOYSA-N 2 2 213.325 0.275 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536067578 323195584 /nfs/dbraw/zinc/19/55/84/323195584.db2.gz TWMBMULBCGPUFN-JTQLQIEISA-N 2 2 236.319 0.298 20 0 BCADLP CN(C)C(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536067578 323195585 /nfs/dbraw/zinc/19/55/85/323195585.db2.gz TWMBMULBCGPUFN-JTQLQIEISA-N 2 2 236.319 0.298 20 0 BCADLP CO[C@@H]1C[N@H+](Cc2c[nH+]cn2C(C)C)C[C@H]1O ZINC000395377162 323224269 /nfs/dbraw/zinc/22/42/69/323224269.db2.gz XDSIMPZJSYXFEB-VXGBXAGGSA-N 2 2 239.319 0.656 20 0 BCADLP CO[C@@H]1C[N@@H+](Cc2c[nH+]cn2C(C)C)C[C@H]1O ZINC000395377162 323224272 /nfs/dbraw/zinc/22/42/72/323224272.db2.gz XDSIMPZJSYXFEB-VXGBXAGGSA-N 2 2 239.319 0.656 20 0 BCADLP COCC[NH+]1CCC([NH2+]C2(COC)CC2)CC1 ZINC000537448061 324072412 /nfs/dbraw/zinc/07/24/12/324072412.db2.gz DWSJAJCZAOTXST-UHFFFAOYSA-N 2 2 242.363 0.866 20 0 BCADLP Cc1c[nH+]cn1CC(=O)NC1C[NH+](C(C)C)C1 ZINC000529068140 324242211 /nfs/dbraw/zinc/24/22/11/324242211.db2.gz IJADXOVQHFXDJH-UHFFFAOYSA-N 2 2 236.319 0.400 20 0 BCADLP NC(=[NH2+])NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000071561957 325080185 /nfs/dbraw/zinc/08/01/85/325080185.db2.gz INKOFCPHSYGSQU-UHFFFAOYSA-N 2 2 247.346 0.292 20 0 BCADLP CC[N@H+](C)CC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000132689748 325238561 /nfs/dbraw/zinc/23/85/61/325238561.db2.gz FGJIIVKJZDUWIS-UHFFFAOYSA-N 2 2 241.379 0.975 20 0 BCADLP CC[N@@H+](C)CC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000132689748 325238564 /nfs/dbraw/zinc/23/85/64/325238564.db2.gz FGJIIVKJZDUWIS-UHFFFAOYSA-N 2 2 241.379 0.975 20 0 BCADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC000076003127 325325264 /nfs/dbraw/zinc/32/52/64/325325264.db2.gz WNAJIXFZGCRXKH-LLVKDONJSA-N 2 2 227.352 0.396 20 0 BCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC000076003127 325325266 /nfs/dbraw/zinc/32/52/66/325325266.db2.gz WNAJIXFZGCRXKH-LLVKDONJSA-N 2 2 227.352 0.396 20 0 BCADLP CN(C)c1[nH+]cccc1CNC(=O)C1([NH3+])CCC1 ZINC000564324912 325372044 /nfs/dbraw/zinc/37/20/44/325372044.db2.gz MFBNABBJGJBJDZ-UHFFFAOYSA-N 2 2 248.330 0.645 20 0 BCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000547603910 325374141 /nfs/dbraw/zinc/37/41/41/325374141.db2.gz VXNAAKZICXQFHD-JTQLQIEISA-N 2 2 248.330 0.316 20 0 BCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000547603910 325374142 /nfs/dbraw/zinc/37/41/42/325374142.db2.gz VXNAAKZICXQFHD-JTQLQIEISA-N 2 2 248.330 0.316 20 0 BCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000547603911 325374174 /nfs/dbraw/zinc/37/41/74/325374174.db2.gz VXNAAKZICXQFHD-SNVBAGLBSA-N 2 2 248.330 0.316 20 0 BCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000547603911 325374175 /nfs/dbraw/zinc/37/41/75/325374175.db2.gz VXNAAKZICXQFHD-SNVBAGLBSA-N 2 2 248.330 0.316 20 0 BCADLP CC[NH2+]CCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000667301926 487969317 /nfs/dbraw/zinc/96/93/17/487969317.db2.gz LQRUYAUWUOQHPM-UHFFFAOYSA-N 2 2 236.319 0.851 20 0 BCADLP COC[C@]1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000566483867 326056315 /nfs/dbraw/zinc/05/63/15/326056315.db2.gz XNVDQFVMOQQCEB-YNEHKIRRSA-N 3 2 241.379 0.615 20 0 BCADLP COC[C@]1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000566483864 326056424 /nfs/dbraw/zinc/05/64/24/326056424.db2.gz XNVDQFVMOQQCEB-JHJVBQTASA-N 3 2 241.379 0.615 20 0 BCADLP C[C@H]([NH3+])C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000566562272 326064200 /nfs/dbraw/zinc/06/42/00/326064200.db2.gz SJMHCOITZFBEHJ-UHTWSYAYSA-N 3 2 241.379 0.552 20 0 BCADLP [NH3+]CCNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000567232899 326147525 /nfs/dbraw/zinc/14/75/25/326147525.db2.gz PDIZAWUPMGIOQU-SECBINFHSA-N 2 2 229.230 0.040 20 0 BCADLP C[NH2+]CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000567481797 326201272 /nfs/dbraw/zinc/20/12/72/326201272.db2.gz VHUBTDCHBRQNGK-JTQLQIEISA-N 2 2 224.308 0.512 20 0 BCADLP C[C@H](CC(=O)N[C@@H](C)C[NH+](C)C)n1cc[nH+]c1 ZINC000567620284 326230517 /nfs/dbraw/zinc/23/05/17/326230517.db2.gz XLQNSPOAJXDCAZ-WDEREUQCSA-N 2 2 238.335 0.901 20 0 BCADLP CO[C@@H]1COC[C@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000567894758 326278474 /nfs/dbraw/zinc/27/84/74/326278474.db2.gz SCYLLHNDEXJXEF-GWOFURMSSA-N 2 2 214.309 0.130 20 0 BCADLP CC[NH+]1CCC([N@H+](C)CC(=O)NC(C)C)CC1 ZINC000157505244 326278871 /nfs/dbraw/zinc/27/88/71/326278871.db2.gz CKFZCGIGESOBNS-UHFFFAOYSA-N 2 2 241.379 0.927 20 0 BCADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NC(C)C)CC1 ZINC000157505244 326278874 /nfs/dbraw/zinc/27/88/74/326278874.db2.gz CKFZCGIGESOBNS-UHFFFAOYSA-N 2 2 241.379 0.927 20 0 BCADLP Cn1c[nH+]cc1CCC[NH+]1CCC(O)CC1 ZINC000314099701 326290954 /nfs/dbraw/zinc/29/09/54/326290954.db2.gz BMRKACYLAUBPQP-UHFFFAOYSA-N 2 2 223.320 0.809 20 0 BCADLP C[N@@H+]1CCN(CCn2cc[nH+]c2)CC1(C)C ZINC000568763045 326375823 /nfs/dbraw/zinc/37/58/23/326375823.db2.gz BSUBNQQNWKVDLU-UHFFFAOYSA-N 2 2 222.336 0.909 20 0 BCADLP C[N@H+]1CCN(CCn2cc[nH+]c2)CC1(C)C ZINC000568763045 326375824 /nfs/dbraw/zinc/37/58/24/326375824.db2.gz BSUBNQQNWKVDLU-UHFFFAOYSA-N 2 2 222.336 0.909 20 0 BCADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1nncn1C ZINC000572961642 326421335 /nfs/dbraw/zinc/42/13/35/326421335.db2.gz QLRCSHZHXBJAIS-JTQLQIEISA-N 2 2 211.313 0.278 20 0 BCADLP CCC[C@H](CC)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000050404796 487975834 /nfs/dbraw/zinc/97/58/34/487975834.db2.gz DWVJQWDBMGIFKX-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H](C)C(C)C ZINC000186578195 487987739 /nfs/dbraw/zinc/98/77/39/487987739.db2.gz SUEYZMIHAIIANG-LLVKDONJSA-N 2 2 202.342 0.935 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)C(C)C ZINC000186578195 487987743 /nfs/dbraw/zinc/98/77/43/487987743.db2.gz SUEYZMIHAIIANG-LLVKDONJSA-N 2 2 202.342 0.935 20 0 BCADLP C[NH+](C)CCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000220525998 487988330 /nfs/dbraw/zinc/98/83/30/487988330.db2.gz YBKFSEJBVXYZJH-VIFPVBQESA-N 2 2 236.319 0.192 20 0 BCADLP C[NH+](C)CCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000220525998 487988335 /nfs/dbraw/zinc/98/83/35/487988335.db2.gz YBKFSEJBVXYZJH-VIFPVBQESA-N 2 2 236.319 0.192 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]C1CC(C)C1 ZINC000186579028 487988376 /nfs/dbraw/zinc/98/83/76/487988376.db2.gz HKMHROWNRHHISC-UHFFFAOYSA-N 2 2 200.326 0.689 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]C1CC(C)C1 ZINC000186579028 487988379 /nfs/dbraw/zinc/98/83/79/487988379.db2.gz HKMHROWNRHHISC-UHFFFAOYSA-N 2 2 200.326 0.689 20 0 BCADLP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCC[NH3+] ZINC000123349876 487994010 /nfs/dbraw/zinc/99/40/10/487994010.db2.gz IDTYZWSXERUDPO-VXGBXAGGSA-N 2 2 241.379 0.962 20 0 BCADLP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000123349876 487994012 /nfs/dbraw/zinc/99/40/12/487994012.db2.gz IDTYZWSXERUDPO-VXGBXAGGSA-N 2 2 241.379 0.962 20 0 BCADLP CC[C@@H]1CC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000672602842 487996736 /nfs/dbraw/zinc/99/67/36/487996736.db2.gz AELCEJLSFRMTQQ-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP COC[C@H](C)C[NH2+]CC[NH+]1CCC(OC)CC1 ZINC000682161925 487998826 /nfs/dbraw/zinc/99/88/26/487998826.db2.gz AAOAFTCPTBGNCY-GFCCVEGCSA-N 2 2 244.379 0.969 20 0 BCADLP C[N@H+]1CCN(C(=O)Nc2cccnc2)[C@@H](C[NH3+])C1 ZINC000623067098 488000425 /nfs/dbraw/zinc/00/04/25/488000425.db2.gz ZCIWYTZGALVUNL-NSHDSACASA-N 2 2 249.318 0.188 20 0 BCADLP CC[N@@H+]1CCN(C(=O)C[NH+](C)C)C[C@@H]1C ZINC000677218221 488002815 /nfs/dbraw/zinc/00/28/15/488002815.db2.gz XSDVAHRSOGYWRX-JTQLQIEISA-N 2 2 213.325 0.101 20 0 BCADLP CC[N@H+]1CCN(C(=O)C[NH+](C)C)C[C@@H]1C ZINC000677218221 488002821 /nfs/dbraw/zinc/00/28/21/488002821.db2.gz XSDVAHRSOGYWRX-JTQLQIEISA-N 2 2 213.325 0.101 20 0 BCADLP CC(C)(C)NC(=O)N1CC[NH+](CCC[NH3+])CC1 ZINC000037037809 488006703 /nfs/dbraw/zinc/00/67/03/488006703.db2.gz FMERAYFHWDLVBG-UHFFFAOYSA-N 2 2 242.367 0.461 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CCCC[C@@H]2C(N)=O)n1C ZINC000667478969 488021075 /nfs/dbraw/zinc/02/10/75/488021075.db2.gz UXSUPWCWVXASRO-LLVKDONJSA-N 2 2 236.319 0.568 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CCCC[C@@H]2C(N)=O)n1C ZINC000667478969 488021077 /nfs/dbraw/zinc/02/10/77/488021077.db2.gz UXSUPWCWVXASRO-LLVKDONJSA-N 2 2 236.319 0.568 20 0 BCADLP CC[C@@H](O)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000229970368 488027740 /nfs/dbraw/zinc/02/77/40/488027740.db2.gz VULSDMCIBGIDOM-GMTAPVOTSA-N 2 2 216.325 0.114 20 0 BCADLP CC(C)([NH3+])CC(=O)NCCCCn1cc[nH+]c1 ZINC000084185581 488035727 /nfs/dbraw/zinc/03/57/27/488035727.db2.gz AOCYKZMITBFXTG-UHFFFAOYSA-N 2 2 238.335 0.907 20 0 BCADLP C[C@@H](C[NH3+])CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655450362 488041142 /nfs/dbraw/zinc/04/11/42/488041142.db2.gz LGXZAMUGBWBVIV-UWVGGRQHSA-N 2 2 236.319 0.157 20 0 BCADLP OC[C@@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667552468 488042594 /nfs/dbraw/zinc/04/25/94/488042594.db2.gz HWKPQEXXSPCTCC-JTQLQIEISA-N 2 2 221.304 0.786 20 0 BCADLP C[C@@H](CC[NH3+])NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655451426 488054572 /nfs/dbraw/zinc/05/45/72/488054572.db2.gz JOOGCTJDYKCEBQ-VHSXEESVSA-N 2 2 236.319 0.299 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCOC[C@H]1C ZINC000310529621 488069764 /nfs/dbraw/zinc/06/97/64/488069764.db2.gz NTGSXRHOZCXSOI-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCOC[C@H]1C ZINC000310529621 488069771 /nfs/dbraw/zinc/06/97/71/488069771.db2.gz NTGSXRHOZCXSOI-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCOC[C@H]1C ZINC000310529621 488069774 /nfs/dbraw/zinc/06/97/74/488069774.db2.gz NTGSXRHOZCXSOI-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCOC[C@H]1C ZINC000310529621 488069780 /nfs/dbraw/zinc/06/97/80/488069780.db2.gz NTGSXRHOZCXSOI-CHWSQXEVSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCOC[C@H]1C ZINC000310529622 488069810 /nfs/dbraw/zinc/06/98/10/488069810.db2.gz NTGSXRHOZCXSOI-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCOC[C@H]1C ZINC000310529622 488069816 /nfs/dbraw/zinc/06/98/16/488069816.db2.gz NTGSXRHOZCXSOI-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCOC[C@H]1C ZINC000310529622 488069823 /nfs/dbraw/zinc/06/98/23/488069823.db2.gz NTGSXRHOZCXSOI-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCOC[C@H]1C ZINC000310529622 488069826 /nfs/dbraw/zinc/06/98/26/488069826.db2.gz NTGSXRHOZCXSOI-OLZOCXBDSA-N 2 2 244.379 0.798 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000515174462 488071571 /nfs/dbraw/zinc/07/15/71/488071571.db2.gz JIAYQAPTJXYZFS-CHWSQXEVSA-N 3 2 241.379 0.032 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000515174462 488071575 /nfs/dbraw/zinc/07/15/75/488071575.db2.gz JIAYQAPTJXYZFS-CHWSQXEVSA-N 3 2 241.379 0.032 20 0 BCADLP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)nn1C ZINC000257674802 488079214 /nfs/dbraw/zinc/07/92/14/488079214.db2.gz JIZTUDIGEPHMMY-ZDUSSCGKSA-N 2 2 234.347 0.914 20 0 BCADLP Cc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)nn1C ZINC000257674802 488079218 /nfs/dbraw/zinc/07/92/18/488079218.db2.gz JIZTUDIGEPHMMY-ZDUSSCGKSA-N 2 2 234.347 0.914 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COC(C)C)C1 ZINC000389144570 488080210 /nfs/dbraw/zinc/08/02/10/488080210.db2.gz HXYDVKNWZGGPTB-STQMWFEESA-N 2 2 244.379 0.846 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)COC(C)C)C1 ZINC000389144570 488080213 /nfs/dbraw/zinc/08/02/13/488080213.db2.gz HXYDVKNWZGGPTB-STQMWFEESA-N 2 2 244.379 0.846 20 0 BCADLP CNC(=O)CCC[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000667674303 488083212 /nfs/dbraw/zinc/08/32/12/488083212.db2.gz BVEJFUIEFYYUAX-UHFFFAOYSA-N 2 2 238.335 0.687 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCc2cnn(C)c2)CCO1 ZINC000226432750 488085557 /nfs/dbraw/zinc/08/55/57/488085557.db2.gz JOMUZOFTSLQXCR-JQWIXIFHSA-N 2 2 238.335 0.011 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCc2cnn(C)c2)CCO1 ZINC000226432750 488085561 /nfs/dbraw/zinc/08/55/61/488085561.db2.gz JOMUZOFTSLQXCR-JQWIXIFHSA-N 2 2 238.335 0.011 20 0 BCADLP CCN1CCC[N@H+](C[C@H]2CC[NH2+]C2)CC1=O ZINC000257802429 488089142 /nfs/dbraw/zinc/08/91/42/488089142.db2.gz ZVQJINRLYFMQPA-NSHDSACASA-N 2 2 225.336 0.150 20 0 BCADLP CCN1CCC[N@@H+](C[C@H]2CC[NH2+]C2)CC1=O ZINC000257802429 488089145 /nfs/dbraw/zinc/08/91/45/488089145.db2.gz ZVQJINRLYFMQPA-NSHDSACASA-N 2 2 225.336 0.150 20 0 BCADLP CC(C)[C@H]1C(=O)NCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000257798118 488089071 /nfs/dbraw/zinc/08/90/71/488089071.db2.gz VZNFZSREEYSHFB-QWRGUYRKSA-N 2 2 225.336 0.052 20 0 BCADLP CC(C)[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000257798118 488089073 /nfs/dbraw/zinc/08/90/73/488089073.db2.gz VZNFZSREEYSHFB-QWRGUYRKSA-N 2 2 225.336 0.052 20 0 BCADLP C[NH+](C)C1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000682517597 488090048 /nfs/dbraw/zinc/09/00/48/488090048.db2.gz CHPQSVHTTXLPGH-JTQLQIEISA-N 2 2 248.330 0.218 20 0 BCADLP CC[NH+](CC)CCC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000683140870 488118373 /nfs/dbraw/zinc/11/83/73/488118373.db2.gz GQIAHKZKHWUMIQ-TXEJJXNPSA-N 2 2 230.352 0.146 20 0 BCADLP CC[NH+](CC)CCC[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000683140870 488118375 /nfs/dbraw/zinc/11/83/75/488118375.db2.gz GQIAHKZKHWUMIQ-TXEJJXNPSA-N 2 2 230.352 0.146 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C2([C@H](C)O)CC2)n1C ZINC000668699334 488130455 /nfs/dbraw/zinc/13/04/55/488130455.db2.gz ATGAHQSPOJSEAT-QMMMGPOBSA-N 2 2 209.293 0.732 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C2([C@@H](C)O)CC2)n1C ZINC000668699333 488130610 /nfs/dbraw/zinc/13/06/10/488130610.db2.gz ATGAHQSPOJSEAT-MRVPVSSYSA-N 2 2 209.293 0.732 20 0 BCADLP C[N@@H+]1CCCN(C(=O)c2ccc(C[NH3+])o2)CC1 ZINC000094564843 487541905 /nfs/dbraw/zinc/54/19/05/487541905.db2.gz GCIKSQXGWQJBNJ-UHFFFAOYSA-N 2 2 237.303 0.516 20 0 BCADLP C[N@H+]1CCCN(C(=O)c2ccc(C[NH3+])o2)CC1 ZINC000094564843 487541916 /nfs/dbraw/zinc/54/19/16/487541916.db2.gz GCIKSQXGWQJBNJ-UHFFFAOYSA-N 2 2 237.303 0.516 20 0 BCADLP C[C@]1(C[N@H+]2CC[C@@](F)(CO)C2)CC[NH2+]C1 ZINC000261555101 487544891 /nfs/dbraw/zinc/54/48/91/487544891.db2.gz UROYYFHJKTYTRW-QWRGUYRKSA-N 2 2 216.300 0.392 20 0 BCADLP C[C@]1(C[N@@H+]2CC[C@@](F)(CO)C2)CC[NH2+]C1 ZINC000261555101 487544880 /nfs/dbraw/zinc/54/48/80/487544880.db2.gz UROYYFHJKTYTRW-QWRGUYRKSA-N 2 2 216.300 0.392 20 0 BCADLP CCn1ncnc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000380892351 487491250 /nfs/dbraw/zinc/49/12/50/487491250.db2.gz JWDAGWMUAVPVIU-AAEUAGOBSA-N 2 2 249.362 0.859 20 0 BCADLP CCn1ncnc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000380892351 487491260 /nfs/dbraw/zinc/49/12/60/487491260.db2.gz JWDAGWMUAVPVIU-AAEUAGOBSA-N 2 2 249.362 0.859 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@@H]2CO)n1C ZINC000668226782 487487790 /nfs/dbraw/zinc/48/77/90/487487790.db2.gz SSURSAWTAULORD-ZYHUDNBSSA-N 2 2 223.320 0.979 20 0 BCADLP Cc1[nH+]cc(C[NH+]2CC(CCO)C2)n1C ZINC000668231812 487498867 /nfs/dbraw/zinc/49/88/67/487498867.db2.gz NYSLVHQOJLULEH-UHFFFAOYSA-N 2 2 209.293 0.543 20 0 BCADLP COC[C@H](C[N@H+](C1CC1)[C@H]1CC[NH2+]C1)OC ZINC000662266462 487502192 /nfs/dbraw/zinc/50/21/92/487502192.db2.gz ZYQVBGFXTXJMCT-RYUDHWBXSA-N 2 2 228.336 0.474 20 0 BCADLP COC[C@H](C[N@@H+](C1CC1)[C@H]1CC[NH2+]C1)OC ZINC000662266462 487502204 /nfs/dbraw/zinc/50/22/04/487502204.db2.gz ZYQVBGFXTXJMCT-RYUDHWBXSA-N 2 2 228.336 0.474 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@](O)(CO)C2)n1C ZINC000668234699 487509609 /nfs/dbraw/zinc/50/96/09/487509609.db2.gz QXGHOOIWNWGRKK-LBPRGKRZSA-N 2 2 239.319 0.048 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@](O)(CO)C2)n1C ZINC000668234699 487509613 /nfs/dbraw/zinc/50/96/13/487509613.db2.gz QXGHOOIWNWGRKK-LBPRGKRZSA-N 2 2 239.319 0.048 20 0 BCADLP COc1cc[nH+]c(CN2CC[C@@H]([NH3+])C2)c1OC ZINC000232197888 487521691 /nfs/dbraw/zinc/52/16/91/487521691.db2.gz RSRZCCKNHJQISY-SECBINFHSA-N 2 2 237.303 0.632 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC000168564167 487521750 /nfs/dbraw/zinc/52/17/50/487521750.db2.gz YNGMLXKDZSCTJW-NXEZZACHSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC000168564167 487521752 /nfs/dbraw/zinc/52/17/52/487521752.db2.gz YNGMLXKDZSCTJW-NXEZZACHSA-N 2 2 208.309 0.589 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC(C)(C)C1 ZINC000381860815 487524176 /nfs/dbraw/zinc/52/41/76/487524176.db2.gz IWZBJQFBMGBOKY-JTQLQIEISA-N 2 2 200.326 0.641 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(C)C1 ZINC000381860815 487524178 /nfs/dbraw/zinc/52/41/78/487524178.db2.gz IWZBJQFBMGBOKY-JTQLQIEISA-N 2 2 200.326 0.641 20 0 BCADLP Cn1c[nH+]c(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000379815733 488151891 /nfs/dbraw/zinc/15/18/91/488151891.db2.gz RGFPSNAWOQOFIB-AOOOYVTPSA-N 2 2 206.293 0.071 20 0 BCADLP Cn1cnc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000379815733 488151892 /nfs/dbraw/zinc/15/18/92/488151892.db2.gz RGFPSNAWOQOFIB-AOOOYVTPSA-N 2 2 206.293 0.071 20 0 BCADLP Cn1cnc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000379815733 488151896 /nfs/dbraw/zinc/15/18/96/488151896.db2.gz RGFPSNAWOQOFIB-AOOOYVTPSA-N 2 2 206.293 0.071 20 0 BCADLP CCn1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)nn1 ZINC000404429505 488159695 /nfs/dbraw/zinc/15/96/95/488159695.db2.gz LEYTUWCAKAYIHM-UWVGGRQHSA-N 2 2 223.324 0.658 20 0 BCADLP CC[C@H](Cn1cncn1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000685645221 487570202 /nfs/dbraw/zinc/57/02/02/487570202.db2.gz BTULDUWDNDRJEA-VXGBXAGGSA-N 2 2 237.351 0.741 20 0 BCADLP CC[C@H](Cn1cncn1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000685645221 487570205 /nfs/dbraw/zinc/57/02/05/487570205.db2.gz BTULDUWDNDRJEA-VXGBXAGGSA-N 2 2 237.351 0.741 20 0 BCADLP C[C@@H]1CC[N@H+](CCn2cncn2)[C@H](C[NH3+])C1 ZINC000394356968 487622542 /nfs/dbraw/zinc/62/25/42/487622542.db2.gz XSGMZOSDONUTHA-MNOVXSKESA-N 2 2 223.324 0.337 20 0 BCADLP C[C@@H]1CC[N@@H+](CCn2cncn2)[C@H](C[NH3+])C1 ZINC000394356968 487622547 /nfs/dbraw/zinc/62/25/47/487622547.db2.gz XSGMZOSDONUTHA-MNOVXSKESA-N 2 2 223.324 0.337 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)[C@@H](CC)CO1 ZINC000403884808 488141748 /nfs/dbraw/zinc/14/17/48/488141748.db2.gz VFCVCIUPWWGYET-YNEHKIRRSA-N 2 2 242.363 0.864 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)[C@@H](CC)CO1 ZINC000403884808 488141750 /nfs/dbraw/zinc/14/17/50/488141750.db2.gz VFCVCIUPWWGYET-YNEHKIRRSA-N 2 2 242.363 0.864 20 0 BCADLP C[C@@]1(NC(=O)CCn2cc[nH+]c2)CC[NH2+]C1 ZINC000230730567 488142711 /nfs/dbraw/zinc/14/27/11/488142711.db2.gz GVYXFSHZMBWUJR-LLVKDONJSA-N 2 2 222.292 0.141 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)Cn1cncn1 ZINC000657836246 488147237 /nfs/dbraw/zinc/14/72/37/488147237.db2.gz ZTWJYUXWVCQFRC-QWRGUYRKSA-N 2 2 234.307 0.541 20 0 BCADLP Cn1nccc1CC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000230764210 488155870 /nfs/dbraw/zinc/15/58/70/488155870.db2.gz GSNUJEUAIULWQV-LLVKDONJSA-N 2 2 208.309 0.386 20 0 BCADLP Cn1nccc1CC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000230764210 488155873 /nfs/dbraw/zinc/15/58/73/488155873.db2.gz GSNUJEUAIULWQV-LLVKDONJSA-N 2 2 208.309 0.386 20 0 BCADLP CC[C@H]1C[N@H+](Cc2ccn(C)n2)CC[C@@H]1[NH3+] ZINC000160789758 488165951 /nfs/dbraw/zinc/16/59/51/488165951.db2.gz MBIPFPGZXWFXTD-JQWIXIFHSA-N 2 2 222.336 0.979 20 0 BCADLP CC[C@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@@H]1[NH3+] ZINC000160789758 488165954 /nfs/dbraw/zinc/16/59/54/488165954.db2.gz MBIPFPGZXWFXTD-JQWIXIFHSA-N 2 2 222.336 0.979 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C[NH2+]C(C)C ZINC000380204500 488180638 /nfs/dbraw/zinc/18/06/38/488180638.db2.gz DYXAYFHLGIVMSN-UHFFFAOYSA-N 2 2 210.281 0.332 20 0 BCADLP [NH3+]C1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000169931511 488183090 /nfs/dbraw/zinc/18/30/90/488183090.db2.gz WFHFKTUSASFEMS-UHFFFAOYSA-N 2 2 244.298 0.898 20 0 BCADLP C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668045272 488194722 /nfs/dbraw/zinc/19/47/22/488194722.db2.gz MMNQYZOGBUUBKY-MWLCHTKSSA-N 2 2 221.304 0.784 20 0 BCADLP C[C@@H]1C[C@@H](O)C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668045272 488194726 /nfs/dbraw/zinc/19/47/26/488194726.db2.gz MMNQYZOGBUUBKY-MWLCHTKSSA-N 2 2 221.304 0.784 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)n1C ZINC000668097917 488202892 /nfs/dbraw/zinc/20/28/92/488202892.db2.gz ZHVASGQBNDKXAU-GFCCVEGCSA-N 2 2 236.319 0.426 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)n1C ZINC000668097917 488202895 /nfs/dbraw/zinc/20/28/95/488202895.db2.gz ZHVASGQBNDKXAU-GFCCVEGCSA-N 2 2 236.319 0.426 20 0 BCADLP Cc1[nH+]cc(C[N@H+](C)CCOCCO)n1C ZINC000668108892 488205063 /nfs/dbraw/zinc/20/50/63/488205063.db2.gz OCXAPQZRRCPARB-UHFFFAOYSA-N 2 2 227.308 0.169 20 0 BCADLP Cc1[nH+]cc(C[N@@H+](C)CCOCCO)n1C ZINC000668108892 488205066 /nfs/dbraw/zinc/20/50/66/488205066.db2.gz OCXAPQZRRCPARB-UHFFFAOYSA-N 2 2 227.308 0.169 20 0 BCADLP CC[C@H](C)C[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000043802191 488209206 /nfs/dbraw/zinc/20/92/06/488209206.db2.gz KZHZAYMJBSYDJT-QWRGUYRKSA-N 2 2 200.326 0.953 20 0 BCADLP CC[C@H](C)C[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000043802191 488209210 /nfs/dbraw/zinc/20/92/10/488209210.db2.gz KZHZAYMJBSYDJT-QWRGUYRKSA-N 2 2 200.326 0.953 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)C1([NH+](C)C)CC1 ZINC000668193439 488219716 /nfs/dbraw/zinc/21/97/16/488219716.db2.gz DXGMOLOZSMUMID-UHFFFAOYSA-N 2 2 222.292 0.131 20 0 BCADLP Cn1nncc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678235367 488222830 /nfs/dbraw/zinc/22/28/30/488222830.db2.gz RSYSIGJHDHUSGR-NSHDSACASA-N 2 2 246.318 0.849 20 0 BCADLP Cn1nncc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678235367 488222832 /nfs/dbraw/zinc/22/28/32/488222832.db2.gz RSYSIGJHDHUSGR-NSHDSACASA-N 2 2 246.318 0.849 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672147611 488241134 /nfs/dbraw/zinc/24/11/34/488241134.db2.gz RGVWGTBDXHYONR-SNVBAGLBSA-N 2 2 245.286 0.211 20 0 BCADLP Cc1cc(N2CCC([NH2+]CCO)CC2)nc[nH+]1 ZINC000678407267 488251883 /nfs/dbraw/zinc/25/18/83/488251883.db2.gz SRBRMABNDSKTOZ-UHFFFAOYSA-N 2 2 236.319 0.336 20 0 BCADLP C[C@@H](C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C)[NH+](C)C ZINC000678430462 488255994 /nfs/dbraw/zinc/25/59/94/488255994.db2.gz QPMSBYNXPYIDIV-DCAQKATOSA-N 2 2 227.352 0.488 20 0 BCADLP CCC(=O)N1CCC([NH2+][C@@H](C)C[NH+](C)C)CC1 ZINC000672616152 488261737 /nfs/dbraw/zinc/26/17/37/488261737.db2.gz GNWGUQNMZOOSJM-NSHDSACASA-N 2 2 241.379 0.927 20 0 BCADLP Cc1cc(=O)[nH]c([C@H](C)[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000684089343 488265516 /nfs/dbraw/zinc/26/55/16/488265516.db2.gz UHROVXPYLOXRRV-GARJFASQSA-N 2 2 248.330 0.703 20 0 BCADLP Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000684089343 488265519 /nfs/dbraw/zinc/26/55/19/488265519.db2.gz UHROVXPYLOXRRV-GARJFASQSA-N 2 2 248.330 0.703 20 0 BCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000672770112 488265788 /nfs/dbraw/zinc/26/57/88/488265788.db2.gz YJTAXRZEEQFUQX-JTQLQIEISA-N 2 2 236.319 0.173 20 0 BCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000672770112 488265790 /nfs/dbraw/zinc/26/57/90/488265790.db2.gz YJTAXRZEEQFUQX-JTQLQIEISA-N 2 2 236.319 0.173 20 0 BCADLP C[C@H](N[C@H]1C[N@H+](C)C[C@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000678602074 488270462 /nfs/dbraw/zinc/27/04/62/488270462.db2.gz SHZLPDUCRMYDQP-MROQNXINSA-N 2 2 241.379 0.245 20 0 BCADLP C[C@H](N[C@H]1C[N@@H+](C)C[C@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000678602074 488270464 /nfs/dbraw/zinc/27/04/64/488270464.db2.gz SHZLPDUCRMYDQP-MROQNXINSA-N 2 2 241.379 0.245 20 0 BCADLP C[C@H](N[C@H]1C[NH+](C)C[C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000678602074 488270467 /nfs/dbraw/zinc/27/04/67/488270467.db2.gz SHZLPDUCRMYDQP-MROQNXINSA-N 2 2 241.379 0.245 20 0 BCADLP C[C@H](N[C@H]1C[NH+](C)C[C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000678602074 488270470 /nfs/dbraw/zinc/27/04/70/488270470.db2.gz SHZLPDUCRMYDQP-MROQNXINSA-N 2 2 241.379 0.245 20 0 BCADLP C[NH+](C)C1CN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000678822446 488287909 /nfs/dbraw/zinc/28/79/09/488287909.db2.gz FNJCAMKJAHUPIH-UHFFFAOYSA-N 2 2 244.302 0.413 20 0 BCADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cn[nH]c3)[C@@H]2C1 ZINC000679364585 488346988 /nfs/dbraw/zinc/34/69/88/488346988.db2.gz HLYCEXSMESDVJP-VXGBXAGGSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cn[nH]c3)[C@@H]2C1 ZINC000679364585 488346990 /nfs/dbraw/zinc/34/69/90/488346990.db2.gz HLYCEXSMESDVJP-VXGBXAGGSA-N 2 2 220.320 0.936 20 0 BCADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cn[nH]c3)[C@@H]2C1 ZINC000679364585 488346993 /nfs/dbraw/zinc/34/69/93/488346993.db2.gz HLYCEXSMESDVJP-VXGBXAGGSA-N 2 2 220.320 0.936 20 0 BCADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cn[nH]c3)[C@@H]2C1 ZINC000679364585 488346996 /nfs/dbraw/zinc/34/69/96/488346996.db2.gz HLYCEXSMESDVJP-VXGBXAGGSA-N 2 2 220.320 0.936 20 0 BCADLP CCCCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000679371971 488348151 /nfs/dbraw/zinc/34/81/51/488348151.db2.gz MHJHQGGFCNZMOW-UHFFFAOYSA-N 2 2 241.379 0.882 20 0 BCADLP CCCCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000679371971 488348153 /nfs/dbraw/zinc/34/81/53/488348153.db2.gz MHJHQGGFCNZMOW-UHFFFAOYSA-N 2 2 241.379 0.882 20 0 BCADLP CC(C)[C@H](C(=O)NCc1[nH+]ccn1C)[C@H](C)[NH3+] ZINC000399570356 490097452 /nfs/dbraw/zinc/09/74/52/490097452.db2.gz JXPMJEBWSOQDLI-ONGXEEELSA-N 2 2 238.335 0.656 20 0 BCADLP CC(C)[C@@H](C(=O)NCc1[nH+]ccn1C)[C@@H](C)[NH3+] ZINC000399570354 490097554 /nfs/dbraw/zinc/09/75/54/490097554.db2.gz JXPMJEBWSOQDLI-MWLCHTKSSA-N 2 2 238.335 0.656 20 0 BCADLP COCC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000070650904 490230123 /nfs/dbraw/zinc/23/01/23/490230123.db2.gz IIVKUPGYJBOMHB-LBPRGKRZSA-N 2 2 228.336 0.333 20 0 BCADLP C[NH+]1CCN(C(=O)C[NH2+]CCC(C)(C)C)CC1 ZINC000123987564 490271287 /nfs/dbraw/zinc/27/12/87/490271287.db2.gz OPKQQIXKLUEIHI-UHFFFAOYSA-N 2 2 241.379 0.786 20 0 BCADLP O=C(C[C@@H]1CCC[NH2+]1)NCc1c[nH+]c[nH]1 ZINC000084081184 490364959 /nfs/dbraw/zinc/36/49/59/490364959.db2.gz CQHRVLGHWJPFKN-QMMMGPOBSA-N 2 2 208.265 0.168 20 0 BCADLP O=C(C[C@@H]1CCC[NH2+]1)NCc1c[nH]c[nH+]1 ZINC000084081184 490364963 /nfs/dbraw/zinc/36/49/63/490364963.db2.gz CQHRVLGHWJPFKN-QMMMGPOBSA-N 2 2 208.265 0.168 20 0 BCADLP O=C(C[C@H]1CCC[NH2+]1)NCc1c[nH+]c[nH]1 ZINC000084081185 490365547 /nfs/dbraw/zinc/36/55/47/490365547.db2.gz CQHRVLGHWJPFKN-MRVPVSSYSA-N 2 2 208.265 0.168 20 0 BCADLP O=C(C[C@H]1CCC[NH2+]1)NCc1c[nH]c[nH+]1 ZINC000084081185 490365550 /nfs/dbraw/zinc/36/55/50/490365550.db2.gz CQHRVLGHWJPFKN-MRVPVSSYSA-N 2 2 208.265 0.168 20 0 BCADLP Cc1[nH+]cc(CNC[C@H](C)[NH+](C)C)n1C ZINC000568415924 491116794 /nfs/dbraw/zinc/11/67/94/491116794.db2.gz HXMPJBUTPQJCEA-VIFPVBQESA-N 2 2 210.325 0.768 20 0 BCADLP C[NH+](C)CCNc1cc(-n2cc[nH+]c2)ncn1 ZINC000090998084 491099120 /nfs/dbraw/zinc/09/91/20/491099120.db2.gz GEABKZYMXUPHCA-UHFFFAOYSA-N 2 2 232.291 0.636 20 0 BCADLP C[C@@]1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[NH2+]C1 ZINC000663013184 491122722 /nfs/dbraw/zinc/12/27/22/491122722.db2.gz AGHSNJCJCXYILN-ZWNOBZJWSA-N 2 2 248.330 0.314 20 0 BCADLP C[NH+](C)CCC[NH2+]Cc1cc(C(N)=O)cs1 ZINC000086573563 491126858 /nfs/dbraw/zinc/12/68/58/491126858.db2.gz VDSLFHHXWXJFQN-UHFFFAOYSA-N 2 2 241.360 0.888 20 0 BCADLP Cc1nc(C)c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000309628202 491153137 /nfs/dbraw/zinc/15/31/37/491153137.db2.gz GGKVGZFCAWSQJL-GHMZBOCLSA-N 2 2 221.304 0.943 20 0 BCADLP Cn1cnc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000310481686 491161687 /nfs/dbraw/zinc/16/16/87/491161687.db2.gz DYFLFQLYTYOOCC-LLVKDONJSA-N 2 2 234.347 0.994 20 0 BCADLP Cn1cnc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000310481686 491161688 /nfs/dbraw/zinc/16/16/88/491161688.db2.gz DYFLFQLYTYOOCC-LLVKDONJSA-N 2 2 234.347 0.994 20 0 BCADLP COC[C@@H](C)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000134281093 491162913 /nfs/dbraw/zinc/16/29/13/491162913.db2.gz LCQFCASUYAJCNO-WDEREUQCSA-N 2 2 200.326 0.953 20 0 BCADLP COC[C@@H](C)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000134281093 491162914 /nfs/dbraw/zinc/16/29/14/491162914.db2.gz LCQFCASUYAJCNO-WDEREUQCSA-N 2 2 200.326 0.953 20 0 BCADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H](C)[N@H+]1C ZINC000493562317 534277582 /nfs/dbraw/zinc/27/75/82/534277582.db2.gz ZSLMWWHLHFLFAS-XTDHWIJXSA-N 2 2 248.330 0.974 20 0 BCADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H](C)[N@@H+]1C ZINC000493562317 534277583 /nfs/dbraw/zinc/27/75/83/534277583.db2.gz ZSLMWWHLHFLFAS-XTDHWIJXSA-N 2 2 248.330 0.974 20 0 BCADLP CC[C@H]1C[N@H+](CCNC2=[NH+]CCCN2)CCO1 ZINC000262756673 536149337 /nfs/dbraw/zinc/14/93/37/536149337.db2.gz DQDYXUXCFQTMJT-NSHDSACASA-N 2 2 240.351 0.036 20 0 BCADLP CC[C@H]1C[N@@H+](CCNC2=[NH+]CCCN2)CCO1 ZINC000262756673 536149339 /nfs/dbraw/zinc/14/93/39/536149339.db2.gz DQDYXUXCFQTMJT-NSHDSACASA-N 2 2 240.351 0.036 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCN1CCOC1=O ZINC000493691411 534439505 /nfs/dbraw/zinc/43/95/05/534439505.db2.gz FATXJEIJDGAIHR-MNOVXSKESA-N 2 2 241.335 0.368 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCN1CCOC1=O ZINC000493691411 534439511 /nfs/dbraw/zinc/43/95/11/534439511.db2.gz FATXJEIJDGAIHR-MNOVXSKESA-N 2 2 241.335 0.368 20 0 BCADLP CC(C)NC(=[NH2+])NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000849037582 582838010 /nfs/dbraw/zinc/83/80/10/582838010.db2.gz PZHONWSLYGMPIM-PHIMTYICSA-N 2 2 240.351 0.372 20 0 BCADLP CC(C)NC(=[NH2+])NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000849037582 582838011 /nfs/dbraw/zinc/83/80/11/582838011.db2.gz PZHONWSLYGMPIM-PHIMTYICSA-N 2 2 240.351 0.372 20 0 BCADLP CC[N@@H+]1CC[C@@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493797144 527740167 /nfs/dbraw/zinc/74/01/67/527740167.db2.gz XGZCLQVOCNJAQV-BYCRGOAPSA-N 2 2 248.330 0.881 20 0 BCADLP CC[N@H+]1CC[C@@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493797144 527740172 /nfs/dbraw/zinc/74/01/72/527740172.db2.gz XGZCLQVOCNJAQV-BYCRGOAPSA-N 2 2 248.330 0.881 20 0 BCADLP CC[N@@H+]1CC[C@@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493152687 527741021 /nfs/dbraw/zinc/74/10/21/527741021.db2.gz NHJRVKSPSHEIJL-UFFNRZRYSA-N 2 2 248.330 0.881 20 0 BCADLP CC[N@H+]1CC[C@@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493152687 527741025 /nfs/dbraw/zinc/74/10/25/527741025.db2.gz NHJRVKSPSHEIJL-UFFNRZRYSA-N 2 2 248.330 0.881 20 0 BCADLP CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400337166 527782421 /nfs/dbraw/zinc/78/24/21/527782421.db2.gz GIXBNAMZAOZCKH-VWYCJHECSA-N 2 2 227.352 0.583 20 0 BCADLP CC[NH+](CC)CCNC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493371561 528126921 /nfs/dbraw/zinc/12/69/21/528126921.db2.gz QHEAVHPYPYNBRA-WAYWQWQTSA-N 2 2 236.319 0.881 20 0 BCADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2C[NH2+]CCO2)C1(C)C ZINC000261540995 535409604 /nfs/dbraw/zinc/40/96/04/535409604.db2.gz IDIVZZHGQCYSSU-IJLUTSLNSA-N 2 2 242.363 0.768 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638501 535574951 /nfs/dbraw/zinc/57/49/51/535574951.db2.gz ZUTKRYAWUWRVSK-SNVBAGLBSA-N 2 2 229.368 0.818 20 0 BCADLP CC[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638501 535574952 /nfs/dbraw/zinc/57/49/52/535574952.db2.gz ZUTKRYAWUWRVSK-SNVBAGLBSA-N 2 2 229.368 0.818 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252780917 535626396 /nfs/dbraw/zinc/62/63/96/535626396.db2.gz MOSOQWOWMIXGKD-GUBZILKMSA-N 2 2 214.309 0.607 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252780917 535626395 /nfs/dbraw/zinc/62/63/95/535626395.db2.gz MOSOQWOWMIXGKD-GUBZILKMSA-N 2 2 214.309 0.607 20 0 BCADLP CCOC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000178516927 535679129 /nfs/dbraw/zinc/67/91/29/535679129.db2.gz UEUDATPYFQKGMX-NSHDSACASA-N 2 2 237.303 0.911 20 0 BCADLP CCOC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000178516927 535679130 /nfs/dbraw/zinc/67/91/30/535679130.db2.gz UEUDATPYFQKGMX-NSHDSACASA-N 2 2 237.303 0.911 20 0 BCADLP CC[C@@H](O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181070273 535812102 /nfs/dbraw/zinc/81/21/02/535812102.db2.gz ANTPUPOJVLNGMU-LLVKDONJSA-N 2 2 211.309 0.976 20 0 BCADLP CC[C@@H](O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181070273 535812103 /nfs/dbraw/zinc/81/21/03/535812103.db2.gz ANTPUPOJVLNGMU-LLVKDONJSA-N 2 2 211.309 0.976 20 0 BCADLP CC[C@](C)(CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000080886590 535834165 /nfs/dbraw/zinc/83/41/65/535834165.db2.gz OJXZWHACQNJDHD-GFCCVEGCSA-N 2 2 240.351 0.737 20 0 BCADLP CC[C@](C)(O)C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166130254 535858001 /nfs/dbraw/zinc/85/80/01/535858001.db2.gz SQDOTCYXAHYHHO-TUAOUCFPSA-N 2 2 230.352 0.504 20 0 BCADLP CCn1nccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261550300 535871398 /nfs/dbraw/zinc/87/13/98/535871398.db2.gz LEZUPBYJIZDJKM-NEPJUHHUSA-N 2 2 234.347 0.944 20 0 BCADLP CCn1nccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261550300 535871405 /nfs/dbraw/zinc/87/14/05/535871405.db2.gz LEZUPBYJIZDJKM-NEPJUHHUSA-N 2 2 234.347 0.944 20 0 BCADLP C[NH2+][C@@H]1CC[N@H+](CCC(C)(C)C(=O)OC)C1 ZINC000261790254 536375529 /nfs/dbraw/zinc/37/55/29/536375529.db2.gz GDPHPSFJZNXEMY-SNVBAGLBSA-N 2 2 228.336 0.869 20 0 BCADLP C[NH2+][C@@H]1CC[N@@H+](CCC(C)(C)C(=O)OC)C1 ZINC000261790254 536375531 /nfs/dbraw/zinc/37/55/31/536375531.db2.gz GDPHPSFJZNXEMY-SNVBAGLBSA-N 2 2 228.336 0.869 20 0 BCADLP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262141214 536410644 /nfs/dbraw/zinc/41/06/44/536410644.db2.gz ZEAHGYLJIHUUCQ-IUCAKERBSA-N 2 2 247.289 0.194 20 0 BCADLP C[NH+]1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000013808380 536418206 /nfs/dbraw/zinc/41/82/06/536418206.db2.gz IYZHTMUYJMWCCH-UHFFFAOYSA-N 2 2 244.302 0.414 20 0 BCADLP CO[C@H]1CC[N@H+](CCOC(C)C)[C@H](C[NH3+])C1 ZINC000252778360 536747674 /nfs/dbraw/zinc/74/76/74/536747674.db2.gz QWSPJWGWQKCPKT-RYUDHWBXSA-N 2 2 230.352 0.850 20 0 BCADLP CO[C@H]1CC[N@@H+](CCOC(C)C)[C@H](C[NH3+])C1 ZINC000252778360 536747681 /nfs/dbraw/zinc/74/76/81/536747681.db2.gz QWSPJWGWQKCPKT-RYUDHWBXSA-N 2 2 230.352 0.850 20 0 BCADLP COCC[C@@H](C)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000225611345 536768105 /nfs/dbraw/zinc/76/81/05/536768105.db2.gz ZQVXZLKAVCIZLG-ZJUUUORDSA-N 2 2 202.298 0.071 20 0 BCADLP COCC[C@@H](C)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000225611345 536768108 /nfs/dbraw/zinc/76/81/08/536768108.db2.gz ZQVXZLKAVCIZLG-ZJUUUORDSA-N 2 2 202.298 0.071 20 0 BCADLP C[C@H]1C[C@H]1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000166920890 566383748 /nfs/dbraw/zinc/38/37/48/566383748.db2.gz QRLVHHSFBGNOEO-QWRGUYRKSA-N 2 2 225.336 0.006 20 0 BCADLP Cc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](C[NH3+])C2)[nH]1 ZINC000852744225 583016141 /nfs/dbraw/zinc/01/61/41/583016141.db2.gz VUFHFFBYGYRHGA-SCZZXKLOSA-N 2 2 223.324 0.845 20 0 BCADLP Cc1nnc([C@@H](C)[N@H+]2CCC[C@@H](C[NH3+])C2)[nH]1 ZINC000852744225 583016142 /nfs/dbraw/zinc/01/61/42/583016142.db2.gz VUFHFFBYGYRHGA-SCZZXKLOSA-N 2 2 223.324 0.845 20 0 BCADLP COC(=O)NC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000853249831 588728783 /nfs/dbraw/zinc/72/87/83/588728783.db2.gz WHJKDQNWYBTVMI-UHFFFAOYSA-N 2 2 229.324 0.544 20 0 BCADLP CCONC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000854001502 588771050 /nfs/dbraw/zinc/77/10/50/588771050.db2.gz KAIURSKEQWNGEN-UHFFFAOYSA-N 2 2 246.355 0.121 20 0 BCADLP CCONC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000854001502 588771051 /nfs/dbraw/zinc/77/10/51/588771051.db2.gz KAIURSKEQWNGEN-UHFFFAOYSA-N 2 2 246.355 0.121 20 0 BCADLP CC(C)[NH2+]Cc1nc(Cc2c[nH+]cn2C)no1 ZINC000854144341 588776719 /nfs/dbraw/zinc/77/67/19/588776719.db2.gz DRSREGWYCLOOQZ-UHFFFAOYSA-N 2 2 235.291 0.892 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cc(C)nn1C ZINC000854232327 588781280 /nfs/dbraw/zinc/78/12/80/588781280.db2.gz PPBMYWPEJDJMJZ-UWVGGRQHSA-N 2 2 210.325 0.987 20 0 BCADLP OCc1c[nH+]ccc1NCCn1cc[nH+]c1 ZINC000891515553 582694700 /nfs/dbraw/zinc/69/47/00/582694700.db2.gz HOKDAGGXBLZWSF-UHFFFAOYSA-N 2 2 218.260 0.304 20 0 BCADLP [NH3+]C[C@H]1CCCN1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000891925997 582738971 /nfs/dbraw/zinc/73/89/71/582738971.db2.gz CNPFRONDUXFHTF-ZJUUUORDSA-N 2 2 249.318 0.461 20 0 BCADLP CCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000856073741 588859514 /nfs/dbraw/zinc/85/95/14/588859514.db2.gz WKDFYFINZLZDAY-JTQLQIEISA-N 2 2 236.319 0.553 20 0 BCADLP CCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000856073741 588859515 /nfs/dbraw/zinc/85/95/15/588859515.db2.gz WKDFYFINZLZDAY-JTQLQIEISA-N 2 2 236.319 0.553 20 0 BCADLP COCCOC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000892720794 582966904 /nfs/dbraw/zinc/96/69/04/582966904.db2.gz GEEGDJGTBHVIRN-NWDGAFQWSA-N 2 2 230.352 0.722 20 0 BCADLP COCCOC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000892720794 582966907 /nfs/dbraw/zinc/96/69/07/582966907.db2.gz GEEGDJGTBHVIRN-NWDGAFQWSA-N 2 2 230.352 0.722 20 0 BCADLP CC(C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[NH2+]1 ZINC000856488673 588873901 /nfs/dbraw/zinc/87/39/01/588873901.db2.gz BBQDVMKZJYRCPD-SNVBAGLBSA-N 2 2 236.319 0.409 20 0 BCADLP CN(C)c1cc(N2CC[C@@H](C[NH+](C)C)C2)nc[nH+]1 ZINC000893120468 583052680 /nfs/dbraw/zinc/05/26/80/583052680.db2.gz YYNLGXVLFAYGDF-NSHDSACASA-N 2 2 249.362 0.931 20 0 BCADLP CN(C)c1cc(N2CC[C@@H](C[NH+](C)C)C2)[nH+]cn1 ZINC000893120468 583052682 /nfs/dbraw/zinc/05/26/82/583052682.db2.gz YYNLGXVLFAYGDF-NSHDSACASA-N 2 2 249.362 0.931 20 0 BCADLP CCn1ncc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)n1 ZINC000857085212 588886458 /nfs/dbraw/zinc/88/64/58/588886458.db2.gz BHQIDASECDBLQF-GHMZBOCLSA-N 2 2 237.351 0.715 20 0 BCADLP CCn1ncc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)n1 ZINC000857085212 588886459 /nfs/dbraw/zinc/88/64/59/588886459.db2.gz BHQIDASECDBLQF-GHMZBOCLSA-N 2 2 237.351 0.715 20 0 BCADLP CC(=O)OC[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000893707812 583207262 /nfs/dbraw/zinc/20/72/62/583207262.db2.gz YTBXCDNQTZYLHB-GXSJLCMTSA-N 2 2 237.303 0.739 20 0 BCADLP CCn1ncc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000857085214 588886363 /nfs/dbraw/zinc/88/63/63/588886363.db2.gz BHQIDASECDBLQF-QWRGUYRKSA-N 2 2 237.351 0.715 20 0 BCADLP CCn1ncc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000857085214 588886365 /nfs/dbraw/zinc/88/63/65/588886365.db2.gz BHQIDASECDBLQF-QWRGUYRKSA-N 2 2 237.351 0.715 20 0 BCADLP CCn1ncc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)n1 ZINC000857087257 588886834 /nfs/dbraw/zinc/88/68/34/588886834.db2.gz RAVPHMKIKGALCY-NSHDSACASA-N 2 2 237.351 0.776 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+]([C@@H]1CCOC1=O)C2 ZINC000857087809 588886953 /nfs/dbraw/zinc/88/69/53/588886953.db2.gz VTNTXQUMMRAHET-KKZNHRDASA-N 2 2 210.277 0.115 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1C[N@H+]([C@@H]1CCOC1=O)C2 ZINC000857087809 588886954 /nfs/dbraw/zinc/88/69/54/588886954.db2.gz VTNTXQUMMRAHET-KKZNHRDASA-N 2 2 210.277 0.115 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@@H+]1CC[C@H](O)C1 ZINC000893947678 583258770 /nfs/dbraw/zinc/25/87/70/583258770.db2.gz ZNBVQRMCDPHRFO-VIFPVBQESA-N 2 2 207.277 0.539 20 0 BCADLP Cc1cc[nH+]c(N)c1C[N@H+]1CC[C@H](O)C1 ZINC000893947678 583258771 /nfs/dbraw/zinc/25/87/71/583258771.db2.gz ZNBVQRMCDPHRFO-VIFPVBQESA-N 2 2 207.277 0.539 20 0 BCADLP Cc1n[nH]c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1C ZINC000894097537 583302004 /nfs/dbraw/zinc/30/20/04/583302004.db2.gz NIBNADKNYOUGLC-QWRGUYRKSA-N 2 2 220.320 0.678 20 0 BCADLP c1[nH]c(C[NH2+]CCCC[NH+]2CCOCC2)c[nH+]1 ZINC000894183173 583331046 /nfs/dbraw/zinc/33/10/46/583331046.db2.gz LKGLBJNVKZEIIG-UHFFFAOYSA-N 3 2 238.335 0.612 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)CN1CCC1=O ZINC000857235444 588900248 /nfs/dbraw/zinc/90/02/48/588900248.db2.gz SSDXTJIDXGANPM-UHFFFAOYSA-N 2 2 222.292 0.395 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)CN1CCC1=O ZINC000857235444 588900249 /nfs/dbraw/zinc/90/02/49/588900249.db2.gz SSDXTJIDXGANPM-UHFFFAOYSA-N 2 2 222.292 0.395 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879566692 583439745 /nfs/dbraw/zinc/43/97/45/583439745.db2.gz IPQRIHNXVCPGSA-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879566692 583439747 /nfs/dbraw/zinc/43/97/47/583439747.db2.gz IPQRIHNXVCPGSA-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP CCCNC(=O)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879566692 583439750 /nfs/dbraw/zinc/43/97/50/583439750.db2.gz IPQRIHNXVCPGSA-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP CCCNC(=O)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879566692 583439753 /nfs/dbraw/zinc/43/97/53/583439753.db2.gz IPQRIHNXVCPGSA-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2CCC2=O)C1 ZINC000857235937 588899587 /nfs/dbraw/zinc/89/95/87/588899587.db2.gz VNTADMFTXQUWJJ-VXGBXAGGSA-N 2 2 237.347 0.592 20 0 BCADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2CCC2=O)C1 ZINC000857235937 588899588 /nfs/dbraw/zinc/89/95/88/588899588.db2.gz VNTADMFTXQUWJJ-VXGBXAGGSA-N 2 2 237.347 0.592 20 0 BCADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CN2CCC2=O)C1 ZINC000857235937 588899590 /nfs/dbraw/zinc/89/95/90/588899590.db2.gz VNTADMFTXQUWJJ-VXGBXAGGSA-N 2 2 237.347 0.592 20 0 BCADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CN2CCC2=O)C1 ZINC000857235937 588899592 /nfs/dbraw/zinc/89/95/92/588899592.db2.gz VNTADMFTXQUWJJ-VXGBXAGGSA-N 2 2 237.347 0.592 20 0 BCADLP C[N@@H+]1CCC[C@H]2C[NH+](CN3CCC3=O)CC[C@H]21 ZINC000857235532 588899637 /nfs/dbraw/zinc/89/96/37/588899637.db2.gz UIECFABLUZIKSD-NWDGAFQWSA-N 2 2 237.347 0.592 20 0 BCADLP C[N@H+]1CCC[C@H]2C[NH+](CN3CCC3=O)CC[C@H]21 ZINC000857235532 588899639 /nfs/dbraw/zinc/89/96/39/588899639.db2.gz UIECFABLUZIKSD-NWDGAFQWSA-N 2 2 237.347 0.592 20 0 BCADLP C[NH+]1CCC[C@H]2C[N@H+](CN3CCC3=O)CC[C@H]21 ZINC000857235532 588899641 /nfs/dbraw/zinc/89/96/41/588899641.db2.gz UIECFABLUZIKSD-NWDGAFQWSA-N 2 2 237.347 0.592 20 0 BCADLP C[NH+]1CCC[C@H]2C[N@@H+](CN3CCC3=O)CC[C@H]21 ZINC000857235532 588899642 /nfs/dbraw/zinc/89/96/42/588899642.db2.gz UIECFABLUZIKSD-NWDGAFQWSA-N 2 2 237.347 0.592 20 0 BCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3CCC3=O)CC[C@@H]21 ZINC000857235531 588899684 /nfs/dbraw/zinc/89/96/84/588899684.db2.gz UIECFABLUZIKSD-NEPJUHHUSA-N 2 2 237.347 0.592 20 0 BCADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3CCC3=O)CC[C@@H]21 ZINC000857235531 588899685 /nfs/dbraw/zinc/89/96/85/588899685.db2.gz UIECFABLUZIKSD-NEPJUHHUSA-N 2 2 237.347 0.592 20 0 BCADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3CCC3=O)CC[C@@H]21 ZINC000857235531 588899686 /nfs/dbraw/zinc/89/96/86/588899686.db2.gz UIECFABLUZIKSD-NEPJUHHUSA-N 2 2 237.347 0.592 20 0 BCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3CCC3=O)CC[C@@H]21 ZINC000857235531 588899687 /nfs/dbraw/zinc/89/96/87/588899687.db2.gz UIECFABLUZIKSD-NEPJUHHUSA-N 2 2 237.347 0.592 20 0 BCADLP CC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)[C@H](O)C(F)F ZINC000894881634 583543998 /nfs/dbraw/zinc/54/39/98/583543998.db2.gz SAIAZFZNOQITKB-SFYZADRCSA-N 2 2 219.235 0.904 20 0 BCADLP O=C1[C@H]([NH2+]Cc2c[nH+]c[nH]2)C[C@@H]2CCCCN12 ZINC000894970076 583560392 /nfs/dbraw/zinc/56/03/92/583560392.db2.gz VFJBNSATEYJIDJ-WDEREUQCSA-N 2 2 234.303 0.653 20 0 BCADLP CNC(=O)C1C[NH+](Cc2c(C)cc[nH+]c2N)C1 ZINC000894979602 583563349 /nfs/dbraw/zinc/56/33/49/583563349.db2.gz UVMYUNLTIBZEJZ-UHFFFAOYSA-N 2 2 234.303 0.150 20 0 BCADLP NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2c[nH+]c[nH]2)CC1 ZINC000895031530 583571143 /nfs/dbraw/zinc/57/11/43/583571143.db2.gz QYRNVLZQQPATLJ-MGCOHNPYSA-N 2 2 236.319 0.791 20 0 BCADLP CON(C)C(=O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000895046608 583571263 /nfs/dbraw/zinc/57/12/63/583571263.db2.gz PHQRYBSVLTYZRL-SNVBAGLBSA-N 2 2 243.351 0.469 20 0 BCADLP CON(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000895046608 583571264 /nfs/dbraw/zinc/57/12/64/583571264.db2.gz PHQRYBSVLTYZRL-SNVBAGLBSA-N 2 2 243.351 0.469 20 0 BCADLP CC[C@@H]1C[N@H+](CCS(=O)(=O)CC)CC[C@@H]1[NH3+] ZINC000147527326 583577476 /nfs/dbraw/zinc/57/74/76/583577476.db2.gz ZKRSUBGAHWJCMI-MNOVXSKESA-N 2 2 248.392 0.480 20 0 BCADLP CC[C@@H]1C[N@@H+](CCS(=O)(=O)CC)CC[C@@H]1[NH3+] ZINC000147527326 583577477 /nfs/dbraw/zinc/57/74/77/583577477.db2.gz ZKRSUBGAHWJCMI-MNOVXSKESA-N 2 2 248.392 0.480 20 0 BCADLP CCN1C[C@@H](C[NH2+]Cc2c[nH+]c[nH]2)CC1=O ZINC000895148822 583605551 /nfs/dbraw/zinc/60/55/51/583605551.db2.gz PNJOARULKYOZDU-SECBINFHSA-N 2 2 222.292 0.368 20 0 BCADLP CO[C@H](C[NH2+]Cc1c[nH+]c[nH]1)[C@H]1CCOC1 ZINC000895226288 583628716 /nfs/dbraw/zinc/62/87/16/583628716.db2.gz OKMZLOGNCNHYEN-GXSJLCMTSA-N 2 2 225.292 0.551 20 0 BCADLP Cc1nc(N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)cc[nH+]1 ZINC000895245613 583631513 /nfs/dbraw/zinc/63/15/13/583631513.db2.gz GYHBJYHFXBQSHQ-CMPLNLGQSA-N 2 2 249.362 0.831 20 0 BCADLP Cc1nc(N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)cc[nH+]1 ZINC000895245613 583631515 /nfs/dbraw/zinc/63/15/15/583631515.db2.gz GYHBJYHFXBQSHQ-CMPLNLGQSA-N 2 2 249.362 0.831 20 0 BCADLP CC1=NO[C@@H](C[NH2+]C2CC[NH+](C)CC2)C1 ZINC000895308105 583646202 /nfs/dbraw/zinc/64/62/02/583646202.db2.gz IKGPVVVAIMUPHC-LLVKDONJSA-N 2 2 211.309 0.835 20 0 BCADLP OC[C@H](C[NH2+]Cc1c[nH+]c[nH]1)Cc1ccoc1 ZINC000895585992 583694516 /nfs/dbraw/zinc/69/45/16/583694516.db2.gz OHWTZIWNQTTZQR-NSHDSACASA-N 2 2 235.287 0.944 20 0 BCADLP C[N@H+](CC1CC[NH+](C)CC1)C1CS(=O)(=O)C1 ZINC000895614209 583695843 /nfs/dbraw/zinc/69/58/43/583695843.db2.gz RVGYOTOKLMFCMI-UHFFFAOYSA-N 2 2 246.376 0.057 20 0 BCADLP C[N@@H+](CC1CC[NH+](C)CC1)C1CS(=O)(=O)C1 ZINC000895614209 583695844 /nfs/dbraw/zinc/69/58/44/583695844.db2.gz RVGYOTOKLMFCMI-UHFFFAOYSA-N 2 2 246.376 0.057 20 0 BCADLP CC1(O)CCC([NH2+]CC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000895674164 583704240 /nfs/dbraw/zinc/70/42/40/583704240.db2.gz VUPQJQXCQOFTIG-CPCZMJQVSA-N 2 2 242.363 0.336 20 0 BCADLP CC1(O)CCC([NH2+]CC[N@H+]2CC[C@H](O)C2)CC1 ZINC000895674164 583704241 /nfs/dbraw/zinc/70/42/41/583704241.db2.gz VUPQJQXCQOFTIG-CPCZMJQVSA-N 2 2 242.363 0.336 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857984549 588928413 /nfs/dbraw/zinc/92/84/13/588928413.db2.gz JTSHFTNMVNXWBX-UWVGGRQHSA-N 2 2 234.303 0.538 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857984549 588928414 /nfs/dbraw/zinc/92/84/14/588928414.db2.gz JTSHFTNMVNXWBX-UWVGGRQHSA-N 2 2 234.303 0.538 20 0 BCADLP CC[NH+](CC)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857984451 588928727 /nfs/dbraw/zinc/92/87/27/588928727.db2.gz BHBURAQLFSVLHT-JTQLQIEISA-N 2 2 236.319 0.786 20 0 BCADLP CC[C@H](C)[C@H]([NH2+]CCn1cc[nH+]c1)C(N)=O ZINC000148280844 583906339 /nfs/dbraw/zinc/90/63/39/583906339.db2.gz CWVHEYJVJNVNGV-UWVGGRQHSA-N 2 2 224.308 0.373 20 0 BCADLP C[C@@H]1C[C@@H]1NC(=[NH2+])NCc1c[nH+]cn1C ZINC000864467386 584008598 /nfs/dbraw/zinc/00/85/98/584008598.db2.gz SKFDHXPKUBVIJJ-APPZFPTMSA-N 2 2 207.281 0.442 20 0 BCADLP Cn1c[nH+]cc1CNC(=[NH2+])NCCC1CC1 ZINC000864467121 584009253 /nfs/dbraw/zinc/00/92/53/584009253.db2.gz PWBOXHVDKFDVOU-UHFFFAOYSA-N 2 2 221.308 0.834 20 0 BCADLP CC(C)n1c[nH+]cc1C[NH2+][C@]1(C)CCNC1=O ZINC000897868889 584055022 /nfs/dbraw/zinc/05/50/22/584055022.db2.gz NLOOVWQPDDUMBE-GFCCVEGCSA-N 2 2 236.319 0.832 20 0 BCADLP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1nnnn1C1CC1 ZINC000873220542 584127406 /nfs/dbraw/zinc/12/74/06/584127406.db2.gz UIHGDCGOZXZWIW-MRVPVSSYSA-N 2 2 236.323 0.411 20 0 BCADLP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000873251622 584128227 /nfs/dbraw/zinc/12/82/27/584128227.db2.gz WSCUJZIJJCKRNS-YIZRAAEISA-N 2 2 238.339 0.784 20 0 BCADLP O=C1C[C@]2([NH2+]Cc3c[nH+]c[nH]3)CCCC[C@@H]2N1 ZINC000898463016 584138653 /nfs/dbraw/zinc/13/86/53/584138653.db2.gz NUEQVLRUADPMJB-CMPLNLGQSA-N 2 2 234.303 0.701 20 0 BCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCn3c[nH+]cc32)C1 ZINC000898810833 584160334 /nfs/dbraw/zinc/16/03/34/584160334.db2.gz PBULOKFZTFWMMZ-QWRGUYRKSA-N 2 2 248.330 0.786 20 0 BCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCn3c[nH+]cc32)C1 ZINC000898810833 584160335 /nfs/dbraw/zinc/16/03/35/584160335.db2.gz PBULOKFZTFWMMZ-QWRGUYRKSA-N 2 2 248.330 0.786 20 0 BCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000899222983 584184137 /nfs/dbraw/zinc/18/41/37/584184137.db2.gz BYWOVHXEQLONJM-GMTAPVOTSA-N 2 2 248.330 0.724 20 0 BCADLP CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000899222983 584184139 /nfs/dbraw/zinc/18/41/39/584184139.db2.gz BYWOVHXEQLONJM-GMTAPVOTSA-N 2 2 248.330 0.724 20 0 BCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000899222983 584184141 /nfs/dbraw/zinc/18/41/41/584184141.db2.gz BYWOVHXEQLONJM-GMTAPVOTSA-N 2 2 248.330 0.724 20 0 BCADLP CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000899222983 584184143 /nfs/dbraw/zinc/18/41/43/584184143.db2.gz BYWOVHXEQLONJM-GMTAPVOTSA-N 2 2 248.330 0.724 20 0 BCADLP C[N@@H+]1CCCN(C(=O)CNc2cccc[nH+]2)CC1 ZINC000899936471 584258568 /nfs/dbraw/zinc/25/85/68/584258568.db2.gz WVVBNQRYVCKIHC-UHFFFAOYSA-N 2 2 248.330 0.658 20 0 BCADLP C[N@H+]1CCCN(C(=O)CNc2cccc[nH+]2)CC1 ZINC000899936471 584258569 /nfs/dbraw/zinc/25/85/69/584258569.db2.gz WVVBNQRYVCKIHC-UHFFFAOYSA-N 2 2 248.330 0.658 20 0 BCADLP C[NH+](C)C(C)(C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000899965610 584261107 /nfs/dbraw/zinc/26/11/07/584261107.db2.gz YSYKYBCWBQHECB-UHFFFAOYSA-N 2 2 224.308 0.409 20 0 BCADLP C[NH+](C)C(C)(C)CNC(=O)Cc1c[nH+]c[nH]1 ZINC000899965610 584261108 /nfs/dbraw/zinc/26/11/08/584261108.db2.gz YSYKYBCWBQHECB-UHFFFAOYSA-N 2 2 224.308 0.409 20 0 BCADLP C[NH+]1CCC(NC(=O)CNc2cccc[nH+]2)CC1 ZINC000900002739 584262982 /nfs/dbraw/zinc/26/29/82/584262982.db2.gz YLDQZEYIGKYVSS-UHFFFAOYSA-N 2 2 248.330 0.704 20 0 BCADLP C[C@@H](C[C@@H]1CCOC1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000858598072 588970063 /nfs/dbraw/zinc/97/00/63/588970063.db2.gz BMMFJBGOTMOIPP-AVGNSLFASA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H](C[C@@H]1CCOC1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000858598072 588970065 /nfs/dbraw/zinc/97/00/65/588970065.db2.gz BMMFJBGOTMOIPP-AVGNSLFASA-N 2 2 242.363 0.458 20 0 BCADLP O=C(NCCn1cc[nH+]c1)C12CC[NH+](CC1)C2 ZINC000900193568 584284725 /nfs/dbraw/zinc/28/47/25/584284725.db2.gz NPKIZUGUJPMZMK-UHFFFAOYSA-N 2 2 234.303 0.095 20 0 BCADLP O=C(Cc1c[nH+]c[nH]1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000900216869 584287343 /nfs/dbraw/zinc/28/73/43/584287343.db2.gz YFVAHBPNLVFEIK-VXGBXAGGSA-N 2 2 248.330 0.695 20 0 BCADLP O=C(Cc1c[nH+]c[nH]1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000900216869 584287344 /nfs/dbraw/zinc/28/73/44/584287344.db2.gz YFVAHBPNLVFEIK-VXGBXAGGSA-N 2 2 248.330 0.695 20 0 BCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000900216869 584287345 /nfs/dbraw/zinc/28/73/45/584287345.db2.gz YFVAHBPNLVFEIK-VXGBXAGGSA-N 2 2 248.330 0.695 20 0 BCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000900216869 584287346 /nfs/dbraw/zinc/28/73/46/584287346.db2.gz YFVAHBPNLVFEIK-VXGBXAGGSA-N 2 2 248.330 0.695 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900618379 584332138 /nfs/dbraw/zinc/33/21/38/584332138.db2.gz JYNIDIKNXJRLOJ-MFKMUULPSA-N 2 2 249.314 0.206 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900618379 584332140 /nfs/dbraw/zinc/33/21/40/584332140.db2.gz JYNIDIKNXJRLOJ-MFKMUULPSA-N 2 2 249.314 0.206 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)C12CC[NH+](CC1)C2 ZINC000900619339 584332762 /nfs/dbraw/zinc/33/27/62/584332762.db2.gz QCNDMRLVMSTPBN-UHFFFAOYSA-N 2 2 231.299 0.846 20 0 BCADLP O=C(Cc1c[nH+]c[nH]1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000900627111 584333466 /nfs/dbraw/zinc/33/34/66/584333466.db2.gz LZPZIITWFWSPIZ-NSHDSACASA-N 2 2 248.330 0.553 20 0 BCADLP O=C(Cc1c[nH+]c[nH]1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000900627111 584333468 /nfs/dbraw/zinc/33/34/68/584333468.db2.gz LZPZIITWFWSPIZ-NSHDSACASA-N 2 2 248.330 0.553 20 0 BCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000900627111 584333470 /nfs/dbraw/zinc/33/34/70/584333470.db2.gz LZPZIITWFWSPIZ-NSHDSACASA-N 2 2 248.330 0.553 20 0 BCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000900627111 584333473 /nfs/dbraw/zinc/33/34/73/584333473.db2.gz LZPZIITWFWSPIZ-NSHDSACASA-N 2 2 248.330 0.553 20 0 BCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000900846634 584356737 /nfs/dbraw/zinc/35/67/37/584356737.db2.gz JBWYRPAMUNKNIE-SECBINFHSA-N 2 2 222.292 0.115 20 0 BCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000900846634 584356739 /nfs/dbraw/zinc/35/67/39/584356739.db2.gz JBWYRPAMUNKNIE-SECBINFHSA-N 2 2 222.292 0.115 20 0 BCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C[N@@H+]1C ZINC000901288975 584422797 /nfs/dbraw/zinc/42/27/97/584422797.db2.gz YOVRTXFPUVYUBH-ZJUUUORDSA-N 2 2 236.319 0.503 20 0 BCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C[N@H+]1C ZINC000901288975 584422798 /nfs/dbraw/zinc/42/27/98/584422798.db2.gz YOVRTXFPUVYUBH-ZJUUUORDSA-N 2 2 236.319 0.503 20 0 BCADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902446123 584592536 /nfs/dbraw/zinc/59/25/36/584592536.db2.gz SAFILNXOPGDNNW-IJLUTSLNSA-N 3 2 225.380 0.962 20 0 BCADLP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CC1([NH3+])CC1 ZINC000902413295 584599874 /nfs/dbraw/zinc/59/98/74/584599874.db2.gz JQKMXLOFQFDCLV-NXEZZACHSA-N 2 2 246.376 0.423 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cnn(CCF)c1 ZINC000902447035 584604231 /nfs/dbraw/zinc/60/42/31/584604231.db2.gz QNQQFPBBRMUQPL-MNOVXSKESA-N 2 2 226.299 0.822 20 0 BCADLP CC[C@H](COC)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902449193 584605459 /nfs/dbraw/zinc/60/54/59/584605459.db2.gz MHRMMSSGYNCILJ-NXEZZACHSA-N 2 2 200.326 0.999 20 0 BCADLP C1[C@H]2CCC[C@H]2[C@H]1[NH2+][C@H]1C[NH2+]CCOC1 ZINC000902455337 584609162 /nfs/dbraw/zinc/60/91/62/584609162.db2.gz LCHQNAHYFMGKCD-KXNHARMFSA-N 2 2 210.321 0.753 20 0 BCADLP C1[C@H]2CCC[C@@H]2[C@H]1[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000902455341 584609475 /nfs/dbraw/zinc/60/94/75/584609475.db2.gz LCHQNAHYFMGKCD-WYUUTHIRSA-N 2 2 210.321 0.753 20 0 BCADLP Cn1c[nH+]c(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c1 ZINC000902462135 584612366 /nfs/dbraw/zinc/61/23/66/584612366.db2.gz SZCRFBFWKZZSBA-WXDOIIRRSA-N 2 2 232.331 0.506 20 0 BCADLP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000902490801 584618330 /nfs/dbraw/zinc/61/83/30/584618330.db2.gz VXTQQVDWLNHTRL-JHEVNIALSA-N 3 2 239.363 0.080 20 0 BCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486262 584625491 /nfs/dbraw/zinc/62/54/91/584625491.db2.gz CMWWJUDSERDURB-BJDJZHNGSA-N 3 2 227.352 0.080 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000902522791 584632060 /nfs/dbraw/zinc/63/20/60/584632060.db2.gz YEQHYAZGRDJZAD-IXOXFDKPSA-N 2 2 224.348 0.999 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cn(C)nn1 ZINC000902993957 584711821 /nfs/dbraw/zinc/71/18/21/584711821.db2.gz ZIOHEUGMHWWCDC-RKDXNWHRSA-N 2 2 246.318 0.746 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cn(C)nn1 ZINC000902993957 584711822 /nfs/dbraw/zinc/71/18/22/584711822.db2.gz ZIOHEUGMHWWCDC-RKDXNWHRSA-N 2 2 246.318 0.746 20 0 BCADLP c1cn(CC[NH2+][C@@H]2CCO[C@]23CCOC3)c[nH+]1 ZINC000903057644 584722541 /nfs/dbraw/zinc/72/25/41/584722541.db2.gz JXGFQNVJZKJXBT-NEPJUHHUSA-N 2 2 237.303 0.421 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903082061 584724895 /nfs/dbraw/zinc/72/48/95/584724895.db2.gz XLZGXVILDJAWRZ-UPJWGTAASA-N 2 2 240.347 0.618 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903082061 584724897 /nfs/dbraw/zinc/72/48/97/584724897.db2.gz XLZGXVILDJAWRZ-UPJWGTAASA-N 2 2 240.347 0.618 20 0 BCADLP C[NH+](C)C1(C[NH2+][C@@H]2CCO[C@]23CCOC3)CC1 ZINC000903189639 584735976 /nfs/dbraw/zinc/73/59/76/584735976.db2.gz FHOXZMXTISYGBQ-YPMHNXCESA-N 2 2 240.347 0.618 20 0 BCADLP C[NH+](C)C1(C[NH2+][C@H]2CCO[C@]23CCOC3)CC1 ZINC000903189636 584736193 /nfs/dbraw/zinc/73/61/93/584736193.db2.gz FHOXZMXTISYGBQ-AAEUAGOBSA-N 2 2 240.347 0.618 20 0 BCADLP CON1CC[C@H]([N@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000903425086 584765064 /nfs/dbraw/zinc/76/50/64/584765064.db2.gz RATOJRZRNSMMDR-VIFPVBQESA-N 2 2 229.324 0.065 20 0 BCADLP CON1CC[C@H]([N@@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000903425086 584765066 /nfs/dbraw/zinc/76/50/66/584765066.db2.gz RATOJRZRNSMMDR-VIFPVBQESA-N 2 2 229.324 0.065 20 0 BCADLP CON1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1=O ZINC000903459053 584766205 /nfs/dbraw/zinc/76/62/05/584766205.db2.gz ABUPCCYDKMEENF-BBBLOLIVSA-N 2 2 227.308 0.008 20 0 BCADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](C[C@H]3CCC[NH2+]3)C[C@@H]21 ZINC000903447149 584770766 /nfs/dbraw/zinc/77/07/66/584770766.db2.gz GXPCBNRHXPFXEI-QNWHQSFQSA-N 3 2 223.364 0.798 20 0 BCADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](C[C@H]3CCC[NH2+]3)C[C@@H]21 ZINC000903447149 584770767 /nfs/dbraw/zinc/77/07/67/584770767.db2.gz GXPCBNRHXPFXEI-QNWHQSFQSA-N 3 2 223.364 0.798 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CCO1 ZINC000903448480 584771209 /nfs/dbraw/zinc/77/12/09/584771209.db2.gz GNKFQAPLUBCRQW-CHWFTXMASA-N 2 2 246.301 0.937 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CCO1 ZINC000903448480 584771211 /nfs/dbraw/zinc/77/12/11/584771211.db2.gz GNKFQAPLUBCRQW-CHWFTXMASA-N 2 2 246.301 0.937 20 0 BCADLP CC[C@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CC[C@@H]1[NH3+] ZINC000903450465 584771940 /nfs/dbraw/zinc/77/19/40/584771940.db2.gz WLIYNHYITRJXQJ-VOAKCMCISA-N 3 2 225.380 0.901 20 0 BCADLP CC[C@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CC[C@@H]1[NH3+] ZINC000903450465 584771941 /nfs/dbraw/zinc/77/19/41/584771941.db2.gz WLIYNHYITRJXQJ-VOAKCMCISA-N 3 2 225.380 0.901 20 0 BCADLP c1ncn(CC2CC[NH+](C[C@H]3CCC[NH2+]3)CC2)n1 ZINC000903456292 584774327 /nfs/dbraw/zinc/77/43/27/584774327.db2.gz FZPYLBPJJLWZAZ-CYBMUJFWSA-N 2 2 249.362 0.742 20 0 BCADLP CS(=O)(=O)CCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903469679 584774495 /nfs/dbraw/zinc/77/44/95/584774495.db2.gz ADFKIISUHRKENJ-SNVBAGLBSA-N 2 2 246.376 0.295 20 0 BCADLP O=C1CCCN1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903467879 584774608 /nfs/dbraw/zinc/77/46/08/584774608.db2.gz FKGBHAJYTSSXDO-NSHDSACASA-N 2 2 237.347 0.483 20 0 BCADLP Cn1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1=O ZINC000903469307 584774709 /nfs/dbraw/zinc/77/47/09/584774709.db2.gz SYNFNQPGAFOJLW-GFCCVEGCSA-N 2 2 247.342 0.760 20 0 BCADLP CN1CCC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1=O ZINC000903472015 584776023 /nfs/dbraw/zinc/77/60/23/584776023.db2.gz PFJDMMAZWLLRHZ-MNOVXSKESA-N 2 2 237.347 0.481 20 0 BCADLP CON1CC[C@H]([N@@H+]2CCCCC[C@@H]([NH3+])C2)C1=O ZINC000903476635 584777669 /nfs/dbraw/zinc/77/76/69/584777669.db2.gz DFOBZHOLQZCTEB-MNOVXSKESA-N 2 2 241.335 0.352 20 0 BCADLP CON1CC[C@H]([N@H+]2CCCCC[C@@H]([NH3+])C2)C1=O ZINC000903476635 584777670 /nfs/dbraw/zinc/77/76/70/584777670.db2.gz DFOBZHOLQZCTEB-MNOVXSKESA-N 2 2 241.335 0.352 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCc2ncncc2C1 ZINC000903481460 584777862 /nfs/dbraw/zinc/77/78/62/584777862.db2.gz CMGMTRGSZDVKLO-MNOVXSKESA-N 2 2 232.331 0.690 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCc2ncncc2C1 ZINC000903481460 584777864 /nfs/dbraw/zinc/77/78/64/584777864.db2.gz CMGMTRGSZDVKLO-MNOVXSKESA-N 2 2 232.331 0.690 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C(=O)NC1CC1 ZINC000903465048 584779295 /nfs/dbraw/zinc/77/92/95/584779295.db2.gz DHXRDYNZQTWIPN-MWLCHTKSSA-N 2 2 237.347 0.528 20 0 BCADLP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@@H]1CC[NH2+]C1 ZINC000903483658 584779511 /nfs/dbraw/zinc/77/95/11/584779511.db2.gz JESTWQFLRSPILV-NEPJUHHUSA-N 3 2 223.364 0.860 20 0 BCADLP CC[C@@H](C)NC(=O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903465773 584779570 /nfs/dbraw/zinc/77/95/70/584779570.db2.gz MJBSVCCLMCCBDR-MNOVXSKESA-N 2 2 239.363 0.775 20 0 BCADLP CC(C)NC(=O)[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903464714 584779662 /nfs/dbraw/zinc/77/96/62/584779662.db2.gz AMURVBFGYWDSBK-MNOVXSKESA-N 2 2 239.363 0.774 20 0 BCADLP C([NH2+][C@@H]1CC[NH2+]C12CCCC2)[C@H]1CC[NH2+]C1 ZINC000903483659 584779664 /nfs/dbraw/zinc/77/96/64/584779664.db2.gz JESTWQFLRSPILV-NWDGAFQWSA-N 3 2 223.364 0.860 20 0 BCADLP C[C@]1([C@H]2CCC[N@H+](CC[NH3+])C2)COC(=O)N1 ZINC000903561305 584782187 /nfs/dbraw/zinc/78/21/87/584782187.db2.gz IUGWPEGYHVICIY-GXSJLCMTSA-N 2 2 227.308 0.156 20 0 BCADLP C[C@]1([C@H]2CCC[N@@H+](CC[NH3+])C2)COC(=O)N1 ZINC000903561305 584782189 /nfs/dbraw/zinc/78/21/89/584782189.db2.gz IUGWPEGYHVICIY-GXSJLCMTSA-N 2 2 227.308 0.156 20 0 BCADLP C[C@]1([C@@H]2CCC[N@H+](CC[NH3+])C2)COC(=O)N1 ZINC000903561309 584782505 /nfs/dbraw/zinc/78/25/05/584782505.db2.gz IUGWPEGYHVICIY-MWLCHTKSSA-N 2 2 227.308 0.156 20 0 BCADLP C[C@]1([C@@H]2CCC[N@@H+](CC[NH3+])C2)COC(=O)N1 ZINC000903561309 584782507 /nfs/dbraw/zinc/78/25/07/584782507.db2.gz IUGWPEGYHVICIY-MWLCHTKSSA-N 2 2 227.308 0.156 20 0 BCADLP CC1(C)C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1[NH3+] ZINC000903557319 584783090 /nfs/dbraw/zinc/78/30/90/584783090.db2.gz NORLXDQPGZVJNM-MNOVXSKESA-N 3 2 239.363 0.177 20 0 BCADLP [NH3+]C1CC[NH+](Cc2cnn(CCF)c2)CC1 ZINC000903713309 584793308 /nfs/dbraw/zinc/79/33/08/584793308.db2.gz MHYUYULFMGSQQV-UHFFFAOYSA-N 2 2 226.299 0.776 20 0 BCADLP [NH3+][C@@H]1CC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903712856 584793796 /nfs/dbraw/zinc/79/37/96/584793796.db2.gz AIUNUQYWHIUKBO-NEPJUHHUSA-N 3 2 239.363 0.178 20 0 BCADLP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903712856 584793797 /nfs/dbraw/zinc/79/37/97/584793797.db2.gz AIUNUQYWHIUKBO-NEPJUHHUSA-N 3 2 239.363 0.178 20 0 BCADLP C[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@@H]1CC[NH2+]C1 ZINC000903715885 584794061 /nfs/dbraw/zinc/79/40/61/584794061.db2.gz BFFZDPONFUJSGD-AGIUHOORSA-N 3 2 239.363 0.049 20 0 BCADLP C[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@@H]1CC[NH2+]C1 ZINC000903715885 584794063 /nfs/dbraw/zinc/79/40/63/584794063.db2.gz BFFZDPONFUJSGD-AGIUHOORSA-N 3 2 239.363 0.049 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903716215 584794493 /nfs/dbraw/zinc/79/44/93/584794493.db2.gz JRQSMPZFCKMACS-NEPJUHHUSA-N 3 2 241.379 0.424 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903716215 584794494 /nfs/dbraw/zinc/79/44/94/584794494.db2.gz JRQSMPZFCKMACS-NEPJUHHUSA-N 3 2 241.379 0.424 20 0 BCADLP C[N@H+](C[C@H]1CCCC[NH2+]C1)C1CC([NH3+])C1 ZINC000903749388 584794591 /nfs/dbraw/zinc/79/45/91/584794591.db2.gz KIGUBBWHNWNPDA-UNXYVOJBSA-N 3 2 211.353 0.798 20 0 BCADLP C[N@@H+](C[C@H]1CCCC[NH2+]C1)C1CC([NH3+])C1 ZINC000903749388 584794592 /nfs/dbraw/zinc/79/45/92/584794592.db2.gz KIGUBBWHNWNPDA-UNXYVOJBSA-N 3 2 211.353 0.798 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903751625 584795609 /nfs/dbraw/zinc/79/56/09/584795609.db2.gz HVTQIZGUGNREIA-SRVKXCTJSA-N 3 2 211.353 0.798 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903751625 584795611 /nfs/dbraw/zinc/79/56/11/584795611.db2.gz HVTQIZGUGNREIA-SRVKXCTJSA-N 3 2 211.353 0.798 20 0 BCADLP COCC(COC)[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000903751310 584795732 /nfs/dbraw/zinc/79/57/32/584795732.db2.gz CRQAZGLFZPJEKM-JBLDHEPKSA-N 2 2 230.352 0.624 20 0 BCADLP C[N@H+](CC[NH3+])CCOC1CCSCC1 ZINC000903760943 584797626 /nfs/dbraw/zinc/79/76/26/584797626.db2.gz LQQJBJKFJDRQKV-UHFFFAOYSA-N 2 2 218.366 0.789 20 0 BCADLP C[N@@H+](CC[NH3+])CCOC1CCSCC1 ZINC000903760943 584797627 /nfs/dbraw/zinc/79/76/27/584797627.db2.gz LQQJBJKFJDRQKV-UHFFFAOYSA-N 2 2 218.366 0.789 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903775075 584799032 /nfs/dbraw/zinc/79/90/32/584799032.db2.gz HGNFZJKMCJGRAP-TUAOUCFPSA-N 3 2 227.352 0.034 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903775075 584799033 /nfs/dbraw/zinc/79/90/33/584799033.db2.gz HGNFZJKMCJGRAP-TUAOUCFPSA-N 3 2 227.352 0.034 20 0 BCADLP Cn1c[nH+]cc1CN[C@@H]1C[NH2+]CC1(C)C ZINC000903821722 584804028 /nfs/dbraw/zinc/80/40/28/584804028.db2.gz QQHPZZBMHNPKMH-SNVBAGLBSA-N 2 2 208.309 0.508 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000903825611 584804317 /nfs/dbraw/zinc/80/43/17/584804317.db2.gz AXPJZPQLHVBKKO-WDEREUQCSA-N 2 2 214.309 0.086 20 0 BCADLP C[NH2+]CCC[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000903825611 584804319 /nfs/dbraw/zinc/80/43/19/584804319.db2.gz AXPJZPQLHVBKKO-WDEREUQCSA-N 2 2 214.309 0.086 20 0 BCADLP C([C@H]1CC[NH2+]C1)[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000903827268 584805207 /nfs/dbraw/zinc/80/52/07/584805207.db2.gz REGHQQMNSGEHJT-SDDRHHMPSA-N 2 2 226.320 0.086 20 0 BCADLP C([C@H]1CC[NH2+]C1)[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000903827268 584805209 /nfs/dbraw/zinc/80/52/09/584805209.db2.gz REGHQQMNSGEHJT-SDDRHHMPSA-N 2 2 226.320 0.086 20 0 BCADLP OCC[C@H]1COCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903830013 584805554 /nfs/dbraw/zinc/80/55/54/584805554.db2.gz QLZDVLNQFYRIFV-OLZOCXBDSA-N 2 2 242.363 0.459 20 0 BCADLP OCC[C@H]1COCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903830013 584805555 /nfs/dbraw/zinc/80/55/55/584805555.db2.gz QLZDVLNQFYRIFV-OLZOCXBDSA-N 2 2 242.363 0.459 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000903840975 584806997 /nfs/dbraw/zinc/80/69/97/584806997.db2.gz VMWBYSCCYAVUKF-VPOLOUISSA-N 2 2 216.300 0.247 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000903840975 584806998 /nfs/dbraw/zinc/80/69/98/584806998.db2.gz VMWBYSCCYAVUKF-VPOLOUISSA-N 2 2 216.300 0.247 20 0 BCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@@H]1CC[NH2+]C1 ZINC000903849624 584807923 /nfs/dbraw/zinc/80/79/23/584807923.db2.gz FKRSICZGZZERTK-IJLUTSLNSA-N 3 2 209.337 0.409 20 0 BCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@@H]1CC[NH2+]C1 ZINC000903849624 584807924 /nfs/dbraw/zinc/80/79/24/584807924.db2.gz FKRSICZGZZERTK-IJLUTSLNSA-N 3 2 209.337 0.409 20 0 BCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCN1CCCC1=O ZINC000903856932 584809884 /nfs/dbraw/zinc/80/98/84/584809884.db2.gz STOLYPBSGBIRND-DGCLKSJQSA-N 2 2 237.347 0.422 20 0 BCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCN1CCCC1=O ZINC000903856932 584809885 /nfs/dbraw/zinc/80/98/85/584809885.db2.gz STOLYPBSGBIRND-DGCLKSJQSA-N 2 2 237.347 0.422 20 0 BCADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCN1CCCC1=O ZINC000903856935 584810471 /nfs/dbraw/zinc/81/04/71/584810471.db2.gz STOLYPBSGBIRND-YPMHNXCESA-N 2 2 237.347 0.422 20 0 BCADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCN1CCCC1=O ZINC000903856935 584810472 /nfs/dbraw/zinc/81/04/72/584810472.db2.gz STOLYPBSGBIRND-YPMHNXCESA-N 2 2 237.347 0.422 20 0 BCADLP Nc1cc(C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])ccn1 ZINC000903859843 584810703 /nfs/dbraw/zinc/81/07/03/584810703.db2.gz OZKFREIELGXOKQ-YPMHNXCESA-N 2 2 232.331 0.977 20 0 BCADLP Nc1cc(C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])ccn1 ZINC000903859843 584810704 /nfs/dbraw/zinc/81/07/04/584810704.db2.gz OZKFREIELGXOKQ-YPMHNXCESA-N 2 2 232.331 0.977 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903858911 584810782 /nfs/dbraw/zinc/81/07/82/584810782.db2.gz KCGKBJLTEKYPFH-YVECIDJPSA-N 3 2 223.364 0.655 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903858911 584810783 /nfs/dbraw/zinc/81/07/83/584810783.db2.gz KCGKBJLTEKYPFH-YVECIDJPSA-N 3 2 223.364 0.655 20 0 BCADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCN1CCOCC1 ZINC000903858512 584810975 /nfs/dbraw/zinc/81/09/75/584810975.db2.gz YOUDWEQCBIAECV-QWHCGFSZSA-N 2 2 239.363 0.132 20 0 BCADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCN1CCOCC1 ZINC000903858512 584810977 /nfs/dbraw/zinc/81/09/77/584810977.db2.gz YOUDWEQCBIAECV-QWHCGFSZSA-N 2 2 239.363 0.132 20 0 BCADLP [NH3+]C[C@]12CC[C@H]1CCN2CC[NH+]1CCOCC1 ZINC000903858512 584810979 /nfs/dbraw/zinc/81/09/79/584810979.db2.gz YOUDWEQCBIAECV-QWHCGFSZSA-N 2 2 239.363 0.132 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903858906 584811373 /nfs/dbraw/zinc/81/13/73/584811373.db2.gz KCGKBJLTEKYPFH-MROQNXINSA-N 3 2 223.364 0.655 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903858906 584811374 /nfs/dbraw/zinc/81/13/74/584811374.db2.gz KCGKBJLTEKYPFH-MROQNXINSA-N 3 2 223.364 0.655 20 0 BCADLP c1cnn(CC[N@@H+]2CCC[C@@]23CC[NH2+]C3)c1 ZINC000903865125 584813081 /nfs/dbraw/zinc/81/30/81/584813081.db2.gz AVAVXPXEZINWOW-LBPRGKRZSA-N 2 2 220.320 0.711 20 0 BCADLP c1cnn(CC[N@H+]2CCC[C@@]23CC[NH2+]C3)c1 ZINC000903865125 584813082 /nfs/dbraw/zinc/81/30/82/584813082.db2.gz AVAVXPXEZINWOW-LBPRGKRZSA-N 2 2 220.320 0.711 20 0 BCADLP COCCOCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903865212 584813264 /nfs/dbraw/zinc/81/32/64/584813264.db2.gz BHDGXUBKHJVODX-GFCCVEGCSA-N 2 2 228.336 0.477 20 0 BCADLP COCCOCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903865212 584813266 /nfs/dbraw/zinc/81/32/66/584813266.db2.gz BHDGXUBKHJVODX-GFCCVEGCSA-N 2 2 228.336 0.477 20 0 BCADLP CSC[C@H](O)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869335 584814677 /nfs/dbraw/zinc/81/46/77/584814677.db2.gz HCBJBKZRJMKGIF-MNOVXSKESA-N 2 2 230.377 0.538 20 0 BCADLP CSC[C@H](O)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869335 584814678 /nfs/dbraw/zinc/81/46/78/584814678.db2.gz HCBJBKZRJMKGIF-MNOVXSKESA-N 2 2 230.377 0.538 20 0 BCADLP CCOCC[C@H](O)C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869861 584814713 /nfs/dbraw/zinc/81/47/13/584814713.db2.gz JPJBXIGLHQLPTJ-QWHCGFSZSA-N 2 2 242.363 0.602 20 0 BCADLP CCOCC[C@H](O)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869861 584814714 /nfs/dbraw/zinc/81/47/14/584814714.db2.gz JPJBXIGLHQLPTJ-QWHCGFSZSA-N 2 2 242.363 0.602 20 0 BCADLP Cn1nccc1CC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869258 584814825 /nfs/dbraw/zinc/81/48/25/584814825.db2.gz FOEGQKCIPWZYOY-CYBMUJFWSA-N 2 2 234.347 0.791 20 0 BCADLP Cn1nccc1CC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869258 584814826 /nfs/dbraw/zinc/81/48/26/584814826.db2.gz FOEGQKCIPWZYOY-CYBMUJFWSA-N 2 2 234.347 0.791 20 0 BCADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@H](CO)C1 ZINC000903873083 584814970 /nfs/dbraw/zinc/81/49/70/584814970.db2.gz FLUQBSGRCSGPDV-IUCAKERBSA-N 2 2 222.279 0.673 20 0 BCADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@H](CO)C1 ZINC000903873083 584814972 /nfs/dbraw/zinc/81/49/72/584814972.db2.gz FLUQBSGRCSGPDV-IUCAKERBSA-N 2 2 222.279 0.673 20 0 BCADLP COC[C@@H]1C[NH2+]CCN1Cc1cc[nH+]c(N)c1 ZINC000903880145 584817188 /nfs/dbraw/zinc/81/71/88/584817188.db2.gz DLGGNNHIUWZKCL-NSHDSACASA-N 2 2 236.319 0.084 20 0 BCADLP C[C@@]1(C2CC2)COCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000903881148 584817644 /nfs/dbraw/zinc/81/76/44/584817644.db2.gz FKSHSFIVBGZAKR-OLZOCXBDSA-N 2 2 240.347 0.476 20 0 BCADLP C[C@@]1(C2CC2)COCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000903881148 584817645 /nfs/dbraw/zinc/81/76/45/584817645.db2.gz FKSHSFIVBGZAKR-OLZOCXBDSA-N 2 2 240.347 0.476 20 0 BCADLP C[C@]1(CO)CCC[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000903908753 584821762 /nfs/dbraw/zinc/82/17/62/584821762.db2.gz PEXUFJSHGNMEHK-PSASIEDQSA-N 2 2 222.279 0.816 20 0 BCADLP C[C@]1(CO)CCC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000903908753 584821763 /nfs/dbraw/zinc/82/17/63/584821763.db2.gz PEXUFJSHGNMEHK-PSASIEDQSA-N 2 2 222.279 0.816 20 0 BCADLP C[N@H+](C[C@H]([NH3+])CC(F)F)C1CC(O)C1 ZINC000903912526 584822612 /nfs/dbraw/zinc/82/26/12/584822612.db2.gz GJWDDZOBSYECRP-JECWYVHBSA-N 2 2 208.252 0.424 20 0 BCADLP C[N@@H+](C[C@H]([NH3+])CC(F)F)C1CC(O)C1 ZINC000903912526 584822613 /nfs/dbraw/zinc/82/26/13/584822613.db2.gz GJWDDZOBSYECRP-JECWYVHBSA-N 2 2 208.252 0.424 20 0 BCADLP CC1(C)C[N@H+](C[C@@H]([NH3+])CC(F)F)C[C@H]1O ZINC000903912214 584822736 /nfs/dbraw/zinc/82/27/36/584822736.db2.gz BPZRJSCOUHZTRH-JGVFFNPUSA-N 2 2 222.279 0.672 20 0 BCADLP CC1(C)C[N@@H+](C[C@@H]([NH3+])CC(F)F)C[C@H]1O ZINC000903912214 584822738 /nfs/dbraw/zinc/82/27/38/584822738.db2.gz BPZRJSCOUHZTRH-JGVFFNPUSA-N 2 2 222.279 0.672 20 0 BCADLP [NH3+][C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)CC(F)F ZINC000903920570 584823072 /nfs/dbraw/zinc/82/30/72/584823072.db2.gz WCNQDSCVLKORSP-CIUDSAMLSA-N 3 2 221.295 0.828 20 0 BCADLP Cn1nccc1C[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903922876 584823811 /nfs/dbraw/zinc/82/38/11/584823811.db2.gz GKWUPHJVDQTDTE-SSDOTTSWSA-N 2 2 218.251 0.492 20 0 BCADLP C[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)C[C@H]1CO ZINC000903933850 584825348 /nfs/dbraw/zinc/82/53/48/584825348.db2.gz WVKDIIIBWYENQR-KXUCPTDWSA-N 2 2 236.306 0.919 20 0 BCADLP C[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)C[C@H]1CO ZINC000903933850 584825350 /nfs/dbraw/zinc/82/53/50/584825350.db2.gz WVKDIIIBWYENQR-KXUCPTDWSA-N 2 2 236.306 0.919 20 0 BCADLP Cc1ccc(O)c(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000903960283 584828171 /nfs/dbraw/zinc/82/81/71/584828171.db2.gz BZNDHEQTAOUJKH-PSASIEDQSA-N 2 2 221.304 0.793 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1cnc2cnccn12 ZINC000903960753 584828604 /nfs/dbraw/zinc/82/86/04/584828604.db2.gz XVNGCUHECYHWTB-MWLCHTKSSA-N 2 2 231.303 0.427 20 0 BCADLP [NH3+]CCC[NH2+]C1(c2ncccn2)CCC1 ZINC000903948943 584829914 /nfs/dbraw/zinc/82/99/14/584829914.db2.gz WEGOUWKEASTCTJ-UHFFFAOYSA-N 2 2 206.293 0.794 20 0 BCADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000903953167 584831588 /nfs/dbraw/zinc/83/15/88/584831588.db2.gz BMRAZNZWQMUBSN-QEYWKRMJSA-N 2 2 234.290 0.672 20 0 BCADLP [NH3+][C@@H](CC(F)F)C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000903953167 584831589 /nfs/dbraw/zinc/83/15/89/584831589.db2.gz BMRAZNZWQMUBSN-QEYWKRMJSA-N 2 2 234.290 0.672 20 0 BCADLP [NH3+]CCC[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969398 584834960 /nfs/dbraw/zinc/83/49/60/584834960.db2.gz FHVXHVKEUUAMAR-LLVKDONJSA-N 3 2 227.352 0.084 20 0 BCADLP C[C@]1(C[NH+]2CCC([NH3+])CC2)CCC[NH2+]C1 ZINC000904300057 584860724 /nfs/dbraw/zinc/86/07/24/584860724.db2.gz UXJJIMJAJIFLKK-LBPRGKRZSA-N 3 2 211.353 0.799 20 0 BCADLP CC(=O)N1CC[NH+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904301401 584861587 /nfs/dbraw/zinc/86/15/87/584861587.db2.gz GLVWWOYIHMFWDI-ZDUSSCGKSA-N 2 2 239.363 0.540 20 0 BCADLP [NH3+][C@H]1C[C@@H](C[N@H+](CCO)CC(F)F)C1 ZINC000904342998 584867936 /nfs/dbraw/zinc/86/79/36/584867936.db2.gz QHICKRYPZCJIAH-OCAPTIKFSA-N 2 2 208.252 0.283 20 0 BCADLP [NH3+][C@H]1C[C@@H](C[N@@H+](CCO)CC(F)F)C1 ZINC000904342998 584867937 /nfs/dbraw/zinc/86/79/37/584867937.db2.gz QHICKRYPZCJIAH-OCAPTIKFSA-N 2 2 208.252 0.283 20 0 BCADLP Nc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)nn1 ZINC000904350301 584868711 /nfs/dbraw/zinc/86/87/11/584868711.db2.gz KLXMXGABZPEBCX-MWLCHTKSSA-N 2 2 233.319 0.243 20 0 BCADLP Nc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)nn1 ZINC000904350301 584868713 /nfs/dbraw/zinc/86/87/13/584868713.db2.gz KLXMXGABZPEBCX-MWLCHTKSSA-N 2 2 233.319 0.243 20 0 BCADLP CC(C)[C@H]([NH3+])C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904350467 584868720 /nfs/dbraw/zinc/86/87/20/584868720.db2.gz MBGBQUATHCZMEV-NEPJUHHUSA-N 3 2 213.369 0.949 20 0 BCADLP C[C@]1(C[NH2+]C[C@@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000904353769 584870147 /nfs/dbraw/zinc/87/01/47/584870147.db2.gz QVYIEPBSVXGZDD-RYUDHWBXSA-N 3 2 211.353 0.718 20 0 BCADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(N)nn1 ZINC000904354024 584870212 /nfs/dbraw/zinc/87/02/12/584870212.db2.gz UJMWSPAKHWAONQ-JTQLQIEISA-N 2 2 223.324 0.522 20 0 BCADLP [NH3+]CC1CC([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000904355226 584870749 /nfs/dbraw/zinc/87/07/49/584870749.db2.gz OLIHPNMPJWZLOM-LRHRNSLUSA-N 3 2 201.289 0.013 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N)nn2)CC[NH2+]1 ZINC000904355396 584870913 /nfs/dbraw/zinc/87/09/13/584870913.db2.gz NANRGLZAJTXFOD-RKDXNWHRSA-N 2 2 221.308 0.289 20 0 BCADLP Nc1ccc(C[NH2+]CC2([NH3+])CCC2)nn1 ZINC000904356735 584871372 /nfs/dbraw/zinc/87/13/72/584871372.db2.gz ZFUBIWGAFHGKQU-UHFFFAOYSA-N 2 2 207.281 0.030 20 0 BCADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(N)nn1 ZINC000904359024 584871618 /nfs/dbraw/zinc/87/16/18/584871618.db2.gz WDTUYUZQIXJLDD-SECBINFHSA-N 2 2 223.324 0.522 20 0 BCADLP C[C@@]1(C[NH2+]C[C@H]2C[NH2+]CCCO2)CCC[NH2+]C1 ZINC000904357715 584871985 /nfs/dbraw/zinc/87/19/85/584871985.db2.gz ANMRJVWTGUFTHO-CHWSQXEVSA-N 3 2 241.379 0.344 20 0 BCADLP C[C@H](O)[C@@H]1C[N@H+](C[C@@]2(C)CCC[NH2+]C2)CCO1 ZINC000904373502 584874045 /nfs/dbraw/zinc/87/40/45/584874045.db2.gz RJWPXPNPVQMQKN-AVGNSLFASA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H](O)[C@@H]1C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CCO1 ZINC000904373502 584874047 /nfs/dbraw/zinc/87/40/47/584874047.db2.gz RJWPXPNPVQMQKN-AVGNSLFASA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904381264 584876656 /nfs/dbraw/zinc/87/66/56/584876656.db2.gz MBYPEHMTUXBFKD-GXFFZTMASA-N 3 2 219.332 0.985 20 0 BCADLP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000904384526 584877459 /nfs/dbraw/zinc/87/74/59/584877459.db2.gz MEESJXMSYKOOJE-UTUOFQBUSA-N 2 2 244.379 0.568 20 0 BCADLP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000904384526 584877460 /nfs/dbraw/zinc/87/74/60/584877460.db2.gz MEESJXMSYKOOJE-UTUOFQBUSA-N 2 2 244.379 0.568 20 0 BCADLP C[C@]1(C[N@@H+]2CCCn3nncc3C2)CCC[NH2+]C1 ZINC000904386201 584878012 /nfs/dbraw/zinc/87/80/12/584878012.db2.gz RXXSSCDDSLQUKR-ZDUSSCGKSA-N 2 2 249.362 0.874 20 0 BCADLP C[C@]1(C[N@H+]2CCCn3nncc3C2)CCC[NH2+]C1 ZINC000904386201 584878014 /nfs/dbraw/zinc/87/80/14/584878014.db2.gz RXXSSCDDSLQUKR-ZDUSSCGKSA-N 2 2 249.362 0.874 20 0 BCADLP [NH3+]Cc1ccc(C[N@@H+]2CCC[C@@]([NH3+])(CO)C2)cc1 ZINC000904407269 584879137 /nfs/dbraw/zinc/87/91/37/584879137.db2.gz RVHDDJKNOOFQAA-AWEZNQCLSA-N 3 2 249.358 0.431 20 0 BCADLP [NH3+]Cc1ccc(C[N@H+]2CCC[C@@]([NH3+])(CO)C2)cc1 ZINC000904407269 584879139 /nfs/dbraw/zinc/87/91/39/584879139.db2.gz RVHDDJKNOOFQAA-AWEZNQCLSA-N 3 2 249.358 0.431 20 0 BCADLP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@H]1CNOC1 ZINC000904424131 584881141 /nfs/dbraw/zinc/88/11/41/584881141.db2.gz NBQVJLGMUBQRAY-UWVGGRQHSA-N 2 2 215.341 0.633 20 0 BCADLP C[NH+](C)C[C@@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000731920720 584931468 /nfs/dbraw/zinc/93/14/68/584931468.db2.gz SDGJTOPDCFXFNN-JTQLQIEISA-N 2 2 236.319 0.688 20 0 BCADLP C[C@@H](O)C[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000742370508 585125037 /nfs/dbraw/zinc/12/50/37/585125037.db2.gz YGHZWRLDCYLBPO-DGCLKSJQSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H](O)C[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000742370508 585125038 /nfs/dbraw/zinc/12/50/38/585125038.db2.gz YGHZWRLDCYLBPO-DGCLKSJQSA-N 2 2 242.363 0.600 20 0 BCADLP O=C1OCC[C@H]1[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000745983853 585162423 /nfs/dbraw/zinc/16/24/23/585162423.db2.gz BKCMHHIAFCZPJL-SNVBAGLBSA-N 2 2 235.287 0.905 20 0 BCADLP C[N@H+](CCO)CCNc1[nH]c2ccccc2[nH+]1 ZINC000753911338 585272024 /nfs/dbraw/zinc/27/20/24/585272024.db2.gz LCPRHDGSBGPTKA-UHFFFAOYSA-N 2 2 234.303 0.899 20 0 BCADLP C[N@@H+](CCO)CCNc1[nH]c2ccccc2[nH+]1 ZINC000753911338 585272025 /nfs/dbraw/zinc/27/20/25/585272025.db2.gz LCPRHDGSBGPTKA-UHFFFAOYSA-N 2 2 234.303 0.899 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCNc1ncccn1 ZINC000756125617 585314823 /nfs/dbraw/zinc/31/48/23/585314823.db2.gz BBSGMNQJVAEHLA-VXGBXAGGSA-N 2 2 249.362 0.818 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCNc1ncccn1 ZINC000756125617 585314824 /nfs/dbraw/zinc/31/48/24/585314824.db2.gz BBSGMNQJVAEHLA-VXGBXAGGSA-N 2 2 249.362 0.818 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCNc1ncccn1 ZINC000756125616 585314927 /nfs/dbraw/zinc/31/49/27/585314927.db2.gz BBSGMNQJVAEHLA-RYUDHWBXSA-N 2 2 249.362 0.818 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCNc1ncccn1 ZINC000756125616 585314928 /nfs/dbraw/zinc/31/49/28/585314928.db2.gz BBSGMNQJVAEHLA-RYUDHWBXSA-N 2 2 249.362 0.818 20 0 BCADLP FCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000759345909 585370005 /nfs/dbraw/zinc/37/00/05/585370005.db2.gz UMOVYIMGYMOFGV-LLVKDONJSA-N 2 2 216.300 0.610 20 0 BCADLP CC[NH+]1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000763003388 585440999 /nfs/dbraw/zinc/44/09/99/585440999.db2.gz XKCOQUUSUPLNTB-UHFFFAOYSA-N 2 2 239.363 0.635 20 0 BCADLP COCCOC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000773029711 585629637 /nfs/dbraw/zinc/62/96/37/585629637.db2.gz ZTRSMAURGYMJRZ-NEPJUHHUSA-N 2 2 242.363 0.864 20 0 BCADLP COCCOC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000773029711 585629638 /nfs/dbraw/zinc/62/96/38/585629638.db2.gz ZTRSMAURGYMJRZ-NEPJUHHUSA-N 2 2 242.363 0.864 20 0 BCADLP COCCOC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000773029713 585629794 /nfs/dbraw/zinc/62/97/94/585629794.db2.gz ZTRSMAURGYMJRZ-NWDGAFQWSA-N 2 2 242.363 0.864 20 0 BCADLP COCCOC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000773029713 585629795 /nfs/dbraw/zinc/62/97/95/585629795.db2.gz ZTRSMAURGYMJRZ-NWDGAFQWSA-N 2 2 242.363 0.864 20 0 BCADLP CC[N@H+](CC[NH2+]C1CCN(C=O)CC1)C1CC1 ZINC000774160453 585652522 /nfs/dbraw/zinc/65/25/22/585652522.db2.gz GOOWQQPJMITGHE-UHFFFAOYSA-N 2 2 239.363 0.681 20 0 BCADLP CC[N@@H+](CC[NH2+]C1CCN(C=O)CC1)C1CC1 ZINC000774160453 585652523 /nfs/dbraw/zinc/65/25/23/585652523.db2.gz GOOWQQPJMITGHE-UHFFFAOYSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@H](C[NH2+]C1CCN(C=O)CC1)[N@H+](C)C1CC1 ZINC000774160837 585652537 /nfs/dbraw/zinc/65/25/37/585652537.db2.gz CCBWINZANANOBF-LLVKDONJSA-N 2 2 239.363 0.680 20 0 BCADLP C[C@H](C[NH2+]C1CCN(C=O)CC1)[N@@H+](C)C1CC1 ZINC000774160837 585652538 /nfs/dbraw/zinc/65/25/38/585652538.db2.gz CCBWINZANANOBF-LLVKDONJSA-N 2 2 239.363 0.680 20 0 BCADLP CCCC[N@H+](C)CC[NH2+]C1CCN(C=O)CC1 ZINC000774184382 585652999 /nfs/dbraw/zinc/65/29/99/585652999.db2.gz QCFBBURSTJSQAK-UHFFFAOYSA-N 2 2 241.379 0.929 20 0 BCADLP CCCC[N@@H+](C)CC[NH2+]C1CCN(C=O)CC1 ZINC000774184382 585653000 /nfs/dbraw/zinc/65/30/00/585653000.db2.gz QCFBBURSTJSQAK-UHFFFAOYSA-N 2 2 241.379 0.929 20 0 BCADLP C[C@H](C[NH+]1CCOCC1)N1CC[N@@H+](C)[C@H](C)C1 ZINC000774736583 585664584 /nfs/dbraw/zinc/66/45/84/585664584.db2.gz FYHTZPUICUUYAF-CHWSQXEVSA-N 2 2 241.379 0.343 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)Cn1cnnc1 ZINC000776761438 585704751 /nfs/dbraw/zinc/70/47/51/585704751.db2.gz BCXYBXQDKFQJCR-UHFFFAOYSA-N 2 2 220.280 0.454 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)Cn1cnnc1 ZINC000776761438 585704752 /nfs/dbraw/zinc/70/47/52/585704752.db2.gz BCXYBXQDKFQJCR-UHFFFAOYSA-N 2 2 220.280 0.454 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@H+](CC2OCCO2)C1 ZINC000777584558 585715979 /nfs/dbraw/zinc/71/59/79/585715979.db2.gz RQWCNXIDNYEAND-JTQLQIEISA-N 2 2 214.309 0.243 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC2OCCO2)C1 ZINC000777584558 585715980 /nfs/dbraw/zinc/71/59/80/585715980.db2.gz RQWCNXIDNYEAND-JTQLQIEISA-N 2 2 214.309 0.243 20 0 BCADLP C[C@@H](CCO)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000779402467 585753593 /nfs/dbraw/zinc/75/35/93/585753593.db2.gz LFTFUQKIGTXONQ-WDEREUQCSA-N 2 2 232.393 0.784 20 0 BCADLP NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000782534801 585819711 /nfs/dbraw/zinc/81/97/11/585819711.db2.gz IEXJNCGLTYRFDJ-NEPJUHHUSA-N 2 2 239.363 0.716 20 0 BCADLP O=C(CC[N@@H+]1CCc2[nH+]c[nH]c2C1)N1CCCC1 ZINC000859306172 589029820 /nfs/dbraw/zinc/02/98/20/589029820.db2.gz RQTIJWOZCZXKMV-UHFFFAOYSA-N 2 2 248.330 0.780 20 0 BCADLP O=C(CC[N@H+]1CCc2[nH+]c[nH]c2C1)N1CCCC1 ZINC000859306172 589029822 /nfs/dbraw/zinc/02/98/22/589029822.db2.gz RQTIJWOZCZXKMV-UHFFFAOYSA-N 2 2 248.330 0.780 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)[C@@H]1CC(C)(C)OC1=O ZINC000795677997 586090732 /nfs/dbraw/zinc/09/07/32/586090732.db2.gz ZFVLIKIWIYBYJJ-SNVBAGLBSA-N 2 2 237.303 0.909 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)[C@@H]1CC(C)(C)OC1=O ZINC000795677997 586090733 /nfs/dbraw/zinc/09/07/33/586090733.db2.gz ZFVLIKIWIYBYJJ-SNVBAGLBSA-N 2 2 237.303 0.909 20 0 BCADLP C[C@@H]1CCOCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000809972486 586527405 /nfs/dbraw/zinc/52/74/05/586527405.db2.gz JFILBDHRQHQDOF-YPMHNXCESA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1CCOCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000809972486 586527407 /nfs/dbraw/zinc/52/74/07/586527407.db2.gz JFILBDHRQHQDOF-YPMHNXCESA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1CCOCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000809972486 586527409 /nfs/dbraw/zinc/52/74/09/586527409.db2.gz JFILBDHRQHQDOF-YPMHNXCESA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1CCOCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000809972486 586527410 /nfs/dbraw/zinc/52/74/10/586527410.db2.gz JFILBDHRQHQDOF-YPMHNXCESA-N 2 2 242.363 0.552 20 0 BCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000812577728 586579674 /nfs/dbraw/zinc/57/96/74/586579674.db2.gz DNZYRHJBSAZUTI-NEPJUHHUSA-N 2 2 248.330 0.293 20 0 BCADLP C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000812577728 586579675 /nfs/dbraw/zinc/57/96/75/586579675.db2.gz DNZYRHJBSAZUTI-NEPJUHHUSA-N 2 2 248.330 0.293 20 0 BCADLP C[NH+](C)CC(C)(C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000816814666 586765303 /nfs/dbraw/zinc/76/53/03/586765303.db2.gz YPEMASWLRFDYEX-UHFFFAOYSA-N 2 2 238.335 0.656 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[NH+](CC2CC2)CC1 ZINC000816892197 586769456 /nfs/dbraw/zinc/76/94/56/586769456.db2.gz UELCAZNRHQXGOX-UHFFFAOYSA-N 2 2 248.330 0.506 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[NH+](C2CC2)CC1 ZINC000816907760 586770563 /nfs/dbraw/zinc/77/05/63/586770563.db2.gz FWSZXNNSBXGGFV-UHFFFAOYSA-N 2 2 234.303 0.259 20 0 BCADLP C[NH+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816916499 586771345 /nfs/dbraw/zinc/77/13/45/586771345.db2.gz IPNMWHGQADQARS-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP CN(CC[N@H+](C)C1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000816971673 586775808 /nfs/dbraw/zinc/77/58/08/586775808.db2.gz MLDJMUXFZJZALE-UHFFFAOYSA-N 2 2 236.319 0.505 20 0 BCADLP CN(CC[N@@H+](C)C1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000816971673 586775810 /nfs/dbraw/zinc/77/58/10/586775810.db2.gz MLDJMUXFZJZALE-UHFFFAOYSA-N 2 2 236.319 0.505 20 0 BCADLP COC[C@H](CCC[NH3+])[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000817912132 586837903 /nfs/dbraw/zinc/83/79/03/586837903.db2.gz FOFUEIBBKCKXMT-OLZOCXBDSA-N 3 2 243.395 0.814 20 0 BCADLP COC[C@H](CCC[NH3+])[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000817912132 586837905 /nfs/dbraw/zinc/83/79/05/586837905.db2.gz FOFUEIBBKCKXMT-OLZOCXBDSA-N 3 2 243.395 0.814 20 0 BCADLP COC[C@H](CCC[NH3+])[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000817912136 586838055 /nfs/dbraw/zinc/83/80/55/586838055.db2.gz FOFUEIBBKCKXMT-STQMWFEESA-N 3 2 243.395 0.814 20 0 BCADLP COC[C@H](CCC[NH3+])[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000817912136 586838057 /nfs/dbraw/zinc/83/80/57/586838057.db2.gz FOFUEIBBKCKXMT-STQMWFEESA-N 3 2 243.395 0.814 20 0 BCADLP CC(C)S(=O)(=O)CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000817932581 586841352 /nfs/dbraw/zinc/84/13/52/586841352.db2.gz UDZKLJNLHGCXDE-QWRGUYRKSA-N 2 2 248.392 0.397 20 0 BCADLP C[C@@H]([NH2+]CC1(C)OCCCO1)[C@H]1CCC[NH2+]1 ZINC000817926264 586841366 /nfs/dbraw/zinc/84/13/66/586841366.db2.gz CQOGJYYMAXLQGO-GHMZBOCLSA-N 2 2 228.336 0.870 20 0 BCADLP O[C@@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000819244487 586942740 /nfs/dbraw/zinc/94/27/40/586942740.db2.gz KRELFYNLRMTPMP-QWRGUYRKSA-N 2 2 221.304 0.558 20 0 BCADLP O[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000819323323 586951195 /nfs/dbraw/zinc/95/11/95/586951195.db2.gz ZLEONSGIIXFJBB-JOYOIKCWSA-N 2 2 221.304 0.628 20 0 BCADLP O[C@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000819323323 586951198 /nfs/dbraw/zinc/95/11/98/586951198.db2.gz ZLEONSGIIXFJBB-JOYOIKCWSA-N 2 2 221.304 0.628 20 0 BCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000820294714 587042101 /nfs/dbraw/zinc/04/21/01/587042101.db2.gz BYNFJGVGUORAJX-GMTAPVOTSA-N 2 2 248.330 0.676 20 0 BCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@H+]1C ZINC000820294714 587042103 /nfs/dbraw/zinc/04/21/03/587042103.db2.gz BYNFJGVGUORAJX-GMTAPVOTSA-N 2 2 248.330 0.676 20 0 BCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+]1C ZINC000820294714 587042104 /nfs/dbraw/zinc/04/21/04/587042104.db2.gz BYNFJGVGUORAJX-GMTAPVOTSA-N 2 2 248.330 0.676 20 0 BCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+]1C ZINC000820294714 587042106 /nfs/dbraw/zinc/04/21/06/587042106.db2.gz BYNFJGVGUORAJX-GMTAPVOTSA-N 2 2 248.330 0.676 20 0 BCADLP Cn1c[nH+]c(/C=C/C(=O)NOCC[NH+](C)C)c1 ZINC000820997469 587086952 /nfs/dbraw/zinc/08/69/52/587086952.db2.gz UQUFJXFUPUUTOS-SNAWJCMRSA-N 2 2 238.291 0.043 20 0 BCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC000821522271 587125289 /nfs/dbraw/zinc/12/52/89/587125289.db2.gz YLTNQXXQIHVYJR-MRVPVSSYSA-N 2 2 210.281 0.019 20 0 BCADLP CC(C)(NC(=O)C[NH+]1CCCC1)c1[nH]cc[nH+]1 ZINC000823381666 587219022 /nfs/dbraw/zinc/21/90/22/587219022.db2.gz YYZMPFUSZVWVBT-UHFFFAOYSA-N 2 2 236.319 0.857 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000825555949 587325046 /nfs/dbraw/zinc/32/50/46/587325046.db2.gz MIDIBEYDLSSREN-LLVKDONJSA-N 2 2 248.330 0.649 20 0 BCADLP CCCN(CC[NH+](C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC000826538324 587354427 /nfs/dbraw/zinc/35/44/27/587354427.db2.gz AFYDXOZSTWBKDY-UHFFFAOYSA-N 2 2 238.335 0.752 20 0 BCADLP CC[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC000827585794 587390363 /nfs/dbraw/zinc/39/03/63/587390363.db2.gz QCJYUBBPTILUCG-UHFFFAOYSA-N 2 2 238.335 0.799 20 0 BCADLP CC[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC000827585794 587390365 /nfs/dbraw/zinc/39/03/65/587390365.db2.gz QCJYUBBPTILUCG-UHFFFAOYSA-N 2 2 238.335 0.799 20 0 BCADLP C[S@](=O)CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000827877236 587406915 /nfs/dbraw/zinc/40/69/15/587406915.db2.gz QOXDOIXCWWRDAZ-ZBEGNZNMSA-N 2 2 241.360 0.899 20 0 BCADLP C[S@](=O)CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000827877236 587406917 /nfs/dbraw/zinc/40/69/17/587406917.db2.gz QOXDOIXCWWRDAZ-ZBEGNZNMSA-N 2 2 241.360 0.899 20 0 BCADLP C[S@](=O)CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000827877234 587407141 /nfs/dbraw/zinc/40/71/41/587407141.db2.gz QOXDOIXCWWRDAZ-BZNIZROVSA-N 2 2 241.360 0.899 20 0 BCADLP C[S@](=O)CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000827877234 587407142 /nfs/dbraw/zinc/40/71/42/587407142.db2.gz QOXDOIXCWWRDAZ-BZNIZROVSA-N 2 2 241.360 0.899 20 0 BCADLP C[N@H+](CCC[NH+]1CCCC1)CC[S@@](C)=O ZINC000829444000 587497492 /nfs/dbraw/zinc/49/74/92/587497492.db2.gz PBTPQKMFVGBROZ-OAHLLOKOSA-N 2 2 232.393 0.783 20 0 BCADLP C[N@@H+](CCC[NH+]1CCCC1)CC[S@@](C)=O ZINC000829444000 587497494 /nfs/dbraw/zinc/49/74/94/587497494.db2.gz PBTPQKMFVGBROZ-OAHLLOKOSA-N 2 2 232.393 0.783 20 0 BCADLP Cn1c[nH+]c(/C=C/C(=O)NC[C@@H]2CC[N@@H+]2C)c1 ZINC000830136451 587538914 /nfs/dbraw/zinc/53/89/14/587538914.db2.gz XZPQJGWHOXZCTI-UFFNRZRYSA-N 2 2 234.303 0.254 20 0 BCADLP Cn1c[nH+]c(/C=C/C(=O)NC[C@@H]2CC[N@H+]2C)c1 ZINC000830136451 587538915 /nfs/dbraw/zinc/53/89/15/587538915.db2.gz XZPQJGWHOXZCTI-UFFNRZRYSA-N 2 2 234.303 0.254 20 0 BCADLP CCn1nc(C)c(C[NH2+]C[C@@H](C)C[NH+](C)C)n1 ZINC000830402416 587550158 /nfs/dbraw/zinc/55/01/58/587550158.db2.gz VXDGLRLOZHEIKT-SNVBAGLBSA-N 2 2 239.367 0.894 20 0 BCADLP C[N@@H+]1CCN(C(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000831508436 587615231 /nfs/dbraw/zinc/61/52/31/587615231.db2.gz NBCXRLOUNVITLK-UHFFFAOYSA-N 2 2 236.319 0.505 20 0 BCADLP C[N@H+]1CCN(C(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000831508436 587615232 /nfs/dbraw/zinc/61/52/32/587615232.db2.gz NBCXRLOUNVITLK-UHFFFAOYSA-N 2 2 236.319 0.505 20 0 BCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000831617806 587624136 /nfs/dbraw/zinc/62/41/36/587624136.db2.gz JYHAMFYGZRCYQO-VHSXEESVSA-N 2 2 236.319 0.503 20 0 BCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000831617806 587624137 /nfs/dbraw/zinc/62/41/37/587624137.db2.gz JYHAMFYGZRCYQO-VHSXEESVSA-N 2 2 236.319 0.503 20 0 BCADLP C[C@@H](C[NH3+])C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000832140598 587645928 /nfs/dbraw/zinc/64/59/28/587645928.db2.gz QXOUPWBMHHWJTD-DTWKUNHWSA-N 2 2 222.292 0.668 20 0 BCADLP C[C@H]([NH3+])CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000832140163 587646084 /nfs/dbraw/zinc/64/60/84/587646084.db2.gz LCMZHFCXJPSIIU-DTWKUNHWSA-N 2 2 222.292 0.811 20 0 BCADLP C[C@H](C[NH3+])C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000832140597 587646219 /nfs/dbraw/zinc/64/62/19/587646219.db2.gz QXOUPWBMHHWJTD-BDAKNGLRSA-N 2 2 222.292 0.668 20 0 BCADLP C[N@@H+]1CCN(C(=O)C=C2CCCC2)[C@H](C[NH3+])C1 ZINC000834298980 587750927 /nfs/dbraw/zinc/75/09/27/587750927.db2.gz FZUOZSOIIYDXNO-GFCCVEGCSA-N 2 2 237.347 0.588 20 0 BCADLP C[N@H+]1CCN(C(=O)C=C2CCCC2)[C@H](C[NH3+])C1 ZINC000834298980 587750928 /nfs/dbraw/zinc/75/09/28/587750928.db2.gz FZUOZSOIIYDXNO-GFCCVEGCSA-N 2 2 237.347 0.588 20 0 BCADLP CCOCCO[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]2)C1 ZINC000843066580 588078407 /nfs/dbraw/zinc/07/84/07/588078407.db2.gz SHRDYSHUIYPVBF-STQMWFEESA-N 2 2 242.363 0.866 20 0 BCADLP CCOCCO[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]2)C1 ZINC000843066580 588078409 /nfs/dbraw/zinc/07/84/09/588078409.db2.gz SHRDYSHUIYPVBF-STQMWFEESA-N 2 2 242.363 0.866 20 0 BCADLP CC(C)[NH2+]CCc1nc(Cc2c[nH+]cn2C)no1 ZINC000843201174 588092985 /nfs/dbraw/zinc/09/29/85/588092985.db2.gz XMHNDZPHUSUFKR-UHFFFAOYSA-N 2 2 249.318 0.934 20 0 BCADLP CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000843347201 588101847 /nfs/dbraw/zinc/10/18/47/588101847.db2.gz CXQPTDGXHLWYJH-WDEREUQCSA-N 2 2 228.336 0.999 20 0 BCADLP CCCOC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000843347201 588101848 /nfs/dbraw/zinc/10/18/48/588101848.db2.gz CXQPTDGXHLWYJH-WDEREUQCSA-N 2 2 228.336 0.999 20 0 BCADLP CCC/C(C)=C\C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000843357832 588104013 /nfs/dbraw/zinc/10/40/13/588104013.db2.gz RLHBAIITHLYRIQ-KGTBHZDVSA-N 2 2 239.363 0.834 20 0 BCADLP CCC/C(C)=C\C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000843357832 588104014 /nfs/dbraw/zinc/10/40/14/588104014.db2.gz RLHBAIITHLYRIQ-KGTBHZDVSA-N 2 2 239.363 0.834 20 0 BCADLP CCCOC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000843363106 588104077 /nfs/dbraw/zinc/10/40/77/588104077.db2.gz ZHYBLXLHIPDTAS-GARJFASQSA-N 2 2 228.336 0.997 20 0 BCADLP CCCOC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000843363106 588104078 /nfs/dbraw/zinc/10/40/78/588104078.db2.gz ZHYBLXLHIPDTAS-GARJFASQSA-N 2 2 228.336 0.997 20 0 BCADLP [NH3+][C@H]1C[C@@H](C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000843493015 588115357 /nfs/dbraw/zinc/11/53/57/588115357.db2.gz BNYLQRYIXMQVRF-AEJSXWLSSA-N 2 2 234.303 0.811 20 0 BCADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000843495490 588115523 /nfs/dbraw/zinc/11/55/23/588115523.db2.gz STTMZSFVKYCATL-YTWAJWBKSA-N 2 2 246.314 0.539 20 0 BCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C[NH3+] ZINC000844175830 588171927 /nfs/dbraw/zinc/17/19/27/588171927.db2.gz VRSOSKYXESLYFZ-UHFFFAOYSA-N 2 2 245.286 0.151 20 0 BCADLP CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000846667838 588281825 /nfs/dbraw/zinc/28/18/25/588281825.db2.gz DWSXEEVKQQSNCI-JTQLQIEISA-N 2 2 215.341 0.522 20 0 BCADLP CC1(C)C[N@H+](CCNC(=[NH2+])N2CCC2)CCO1 ZINC000848999435 588430215 /nfs/dbraw/zinc/43/02/15/588430215.db2.gz FWOOXTPZPWYUQV-UHFFFAOYSA-N 2 2 240.351 0.327 20 0 BCADLP CC1(C)C[N@@H+](CCNC(=[NH2+])N2CCC2)CCO1 ZINC000848999435 588430217 /nfs/dbraw/zinc/43/02/17/588430217.db2.gz FWOOXTPZPWYUQV-UHFFFAOYSA-N 2 2 240.351 0.327 20 0 BCADLP C[NH+](C)Cc1cnc(C[NH2+]C/C=C/CO)s1 ZINC000850357603 588538543 /nfs/dbraw/zinc/53/85/43/588538543.db2.gz PFZNETJSGCPMHX-ONEGZZNKSA-N 2 2 241.360 0.843 20 0 BCADLP C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000851660965 588613699 /nfs/dbraw/zinc/61/36/99/588613699.db2.gz CFNKXJMXZBUSAK-BDAKNGLRSA-N 2 2 237.307 0.235 20 0 BCADLP CO[C@H](C[N@H+](CC[NH3+])CCO)C1CCCC1 ZINC000852746850 588698923 /nfs/dbraw/zinc/69/89/23/588698923.db2.gz RTUJNURBWRGVHP-GFCCVEGCSA-N 2 2 230.352 0.445 20 0 BCADLP CO[C@H](C[N@@H+](CC[NH3+])CCO)C1CCCC1 ZINC000852746850 588698924 /nfs/dbraw/zinc/69/89/24/588698924.db2.gz RTUJNURBWRGVHP-GFCCVEGCSA-N 2 2 230.352 0.445 20 0 BCADLP COC[C@H](C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)OC ZINC000852751236 588699910 /nfs/dbraw/zinc/69/99/10/588699910.db2.gz UFWWUBKDWKRRMU-NWDGAFQWSA-N 2 2 228.336 0.476 20 0 BCADLP COC[C@H](C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)OC ZINC000852751236 588699911 /nfs/dbraw/zinc/69/99/11/588699911.db2.gz UFWWUBKDWKRRMU-NWDGAFQWSA-N 2 2 228.336 0.476 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000852837121 588707211 /nfs/dbraw/zinc/70/72/11/588707211.db2.gz QDMVSFSYCAKSOF-SNVBAGLBSA-N 2 2 222.292 0.496 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000852837121 588707212 /nfs/dbraw/zinc/70/72/12/588707212.db2.gz QDMVSFSYCAKSOF-SNVBAGLBSA-N 2 2 222.292 0.496 20 0 BCADLP CC[NH2+]CC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000852912924 588712786 /nfs/dbraw/zinc/71/27/86/588712786.db2.gz IFJFUPCKLPRUCE-VIFPVBQESA-N 2 2 224.308 0.690 20 0 BCADLP C[C@@H](NC(=O)[C@@]1(F)CC[NH2+]C1)c1[nH+]ccn1C ZINC000852916798 588713202 /nfs/dbraw/zinc/71/32/02/588713202.db2.gz BNJCYQKAQFMXLA-LDYMZIIASA-N 2 2 240.282 0.299 20 0 BCADLP CCn1cc[nH+]c1CNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861635726 589171925 /nfs/dbraw/zinc/17/19/25/589171925.db2.gz SQOKEMGHYIAAIJ-VIFPVBQESA-N 2 2 239.323 0.392 20 0 BCADLP CON(C)C(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000863547384 589298461 /nfs/dbraw/zinc/29/84/61/589298461.db2.gz KDYFRNVJTBULAH-KXUCPTDWSA-N 2 2 229.324 0.125 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)CCc1nnn(C(C)(C)C)n1 ZINC000863569541 589300409 /nfs/dbraw/zinc/30/04/09/589300409.db2.gz YHQWAAAEYOBIBO-VIFPVBQESA-N 2 2 240.355 0.250 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)CCc1nnn(C(C)(C)C)n1 ZINC000863569541 589300410 /nfs/dbraw/zinc/30/04/10/589300410.db2.gz YHQWAAAEYOBIBO-VIFPVBQESA-N 2 2 240.355 0.250 20 0 BCADLP Cn1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000863641533 589306521 /nfs/dbraw/zinc/30/65/21/589306521.db2.gz GOSXWLHBLCGGIU-NEPJUHHUSA-N 2 2 205.305 0.819 20 0 BCADLP Cn1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000863641533 589306523 /nfs/dbraw/zinc/30/65/23/589306523.db2.gz GOSXWLHBLCGGIU-NEPJUHHUSA-N 2 2 205.305 0.819 20 0 BCADLP CC1(C)CNC(=O)[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000864050025 589335525 /nfs/dbraw/zinc/33/55/25/589335525.db2.gz RQYIVLVOIHTLRM-MRVPVSSYSA-N 2 2 208.265 0.024 20 0 BCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(N)=[NH2+] ZINC000864358372 589355535 /nfs/dbraw/zinc/35/55/35/589355535.db2.gz WMIPLFPRRNHDOA-SNVBAGLBSA-N 2 2 204.277 0.656 20 0 BCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(N)=[NH2+] ZINC000864358372 589355537 /nfs/dbraw/zinc/35/55/37/589355537.db2.gz WMIPLFPRRNHDOA-SNVBAGLBSA-N 2 2 204.277 0.656 20 0 BCADLP COCC[N@H+](C)CCNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864458137 589367767 /nfs/dbraw/zinc/36/77/67/589367767.db2.gz WZOLBKKXJNKSCL-NXEZZACHSA-N 2 2 228.340 0.087 20 0 BCADLP COCC[N@@H+](C)CCNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864458137 589367769 /nfs/dbraw/zinc/36/77/69/589367769.db2.gz WZOLBKKXJNKSCL-NXEZZACHSA-N 2 2 228.340 0.087 20 0 BCADLP C[C@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000865659017 589454806 /nfs/dbraw/zinc/45/48/06/589454806.db2.gz CIUOCSJRJXFXEU-WOPDTQHZSA-N 2 2 242.363 0.599 20 0 BCADLP C[C@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000865659017 589454807 /nfs/dbraw/zinc/45/48/07/589454807.db2.gz CIUOCSJRJXFXEU-WOPDTQHZSA-N 2 2 242.363 0.599 20 0 BCADLP C[C@H]1OCC[C@H]1[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000865659014 589455018 /nfs/dbraw/zinc/45/50/18/589455018.db2.gz CIUOCSJRJXFXEU-GRYCIOLGSA-N 2 2 242.363 0.599 20 0 BCADLP C[C@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000865659014 589455019 /nfs/dbraw/zinc/45/50/19/589455019.db2.gz CIUOCSJRJXFXEU-GRYCIOLGSA-N 2 2 242.363 0.599 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866414803 589491552 /nfs/dbraw/zinc/49/15/52/589491552.db2.gz SYQONEFYDGTCMH-TUAOUCFPSA-N 2 2 244.379 0.845 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866414803 589491554 /nfs/dbraw/zinc/49/15/54/589491554.db2.gz SYQONEFYDGTCMH-TUAOUCFPSA-N 2 2 244.379 0.845 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)Nc2ccccn2)C1 ZINC000866659601 589507847 /nfs/dbraw/zinc/50/78/47/589507847.db2.gz PANBAHABQHDWHH-LLVKDONJSA-N 2 2 248.330 0.691 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccn2)C1 ZINC000866659601 589507848 /nfs/dbraw/zinc/50/78/48/589507848.db2.gz PANBAHABQHDWHH-LLVKDONJSA-N 2 2 248.330 0.691 20 0 BCADLP Cn1ccc(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)cc1=O ZINC000866725976 589516520 /nfs/dbraw/zinc/51/65/20/589516520.db2.gz UGIBKQJQTIBLOX-OLZOCXBDSA-N 2 2 247.342 0.712 20 0 BCADLP Cn1ccc(C[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)cc1=O ZINC000866725976 589516521 /nfs/dbraw/zinc/51/65/21/589516521.db2.gz UGIBKQJQTIBLOX-OLZOCXBDSA-N 2 2 247.342 0.712 20 0 BCADLP C[NH2+]CC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000867999113 589543014 /nfs/dbraw/zinc/54/30/14/589543014.db2.gz RRFUGACODJVZLB-GFCCVEGCSA-N 2 2 233.315 0.509 20 0 BCADLP C[NH2+]CC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000867999113 589543015 /nfs/dbraw/zinc/54/30/15/589543015.db2.gz RRFUGACODJVZLB-GFCCVEGCSA-N 2 2 233.315 0.509 20 0 BCADLP O[C@H](C[NH2+]Cc1ccoc1)C[NH+]1CCCC1 ZINC000122209581 589565393 /nfs/dbraw/zinc/56/53/93/589565393.db2.gz YWGROOFSWWTZAD-GFCCVEGCSA-N 2 2 224.304 0.826 20 0 BCADLP CC(C)OC[C@@H](O)C[NH2+]CCCn1cc[nH+]c1 ZINC000871964876 589847560 /nfs/dbraw/zinc/84/75/60/589847560.db2.gz FIKLYVSISMOZLX-LBPRGKRZSA-N 2 2 241.335 0.649 20 0 BCADLP [NH3+][C@@H]1CC[N@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872141854 589879897 /nfs/dbraw/zinc/87/98/97/589879897.db2.gz WREOCPMLDDRMAR-GHMZBOCLSA-N 2 2 210.321 0.979 20 0 BCADLP [NH3+][C@@H]1CC[N@@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872141854 589879899 /nfs/dbraw/zinc/87/98/99/589879899.db2.gz WREOCPMLDDRMAR-GHMZBOCLSA-N 2 2 210.321 0.979 20 0 BCADLP [NH3+][C@H]1CC[N@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872141856 589880479 /nfs/dbraw/zinc/88/04/79/589880479.db2.gz WREOCPMLDDRMAR-QWRGUYRKSA-N 2 2 210.321 0.979 20 0 BCADLP [NH3+][C@H]1CC[N@@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872141856 589880480 /nfs/dbraw/zinc/88/04/80/589880480.db2.gz WREOCPMLDDRMAR-QWRGUYRKSA-N 2 2 210.321 0.979 20 0 BCADLP Cn1nccc1CC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000872145284 589883812 /nfs/dbraw/zinc/88/38/12/589883812.db2.gz RCMGZBHAXJAYFB-CYBMUJFWSA-N 2 2 234.347 0.791 20 0 BCADLP Cn1nccc1CC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000872145284 589883815 /nfs/dbraw/zinc/88/38/15/589883815.db2.gz RCMGZBHAXJAYFB-CYBMUJFWSA-N 2 2 234.347 0.791 20 0 BCADLP C[N@H+](CCCCCC[NH3+])C[C@H]1C[NH2+]CCO1 ZINC000872156167 589886320 /nfs/dbraw/zinc/88/63/20/589886320.db2.gz FPLDHPKENAVWTH-GFCCVEGCSA-N 3 2 229.368 0.426 20 0 BCADLP C[N@@H+](CCCCCC[NH3+])C[C@H]1C[NH2+]CCO1 ZINC000872156167 589886323 /nfs/dbraw/zinc/88/63/23/589886323.db2.gz FPLDHPKENAVWTH-GFCCVEGCSA-N 3 2 229.368 0.426 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCOCC(F)F)C2 ZINC000872154092 589886477 /nfs/dbraw/zinc/88/64/77/589886477.db2.gz MBJIRKHAMQXDCZ-GXSJLCMTSA-N 2 2 234.290 0.809 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCOCC(F)F)C2 ZINC000872154092 589886478 /nfs/dbraw/zinc/88/64/78/589886478.db2.gz MBJIRKHAMQXDCZ-GXSJLCMTSA-N 2 2 234.290 0.809 20 0 BCADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872201468 589890346 /nfs/dbraw/zinc/89/03/46/589890346.db2.gz BUPAHXHXEWVYIL-QWRGUYRKSA-N 2 2 230.352 0.192 20 0 BCADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872201468 589890349 /nfs/dbraw/zinc/89/03/49/589890349.db2.gz BUPAHXHXEWVYIL-QWRGUYRKSA-N 2 2 230.352 0.192 20 0 BCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cnc(N)cn1 ZINC000873200741 589992625 /nfs/dbraw/zinc/99/26/25/589992625.db2.gz FPANAJYOPTULRN-LLVKDONJSA-N 2 2 237.351 0.864 20 0 BCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cnc(N)cn1 ZINC000873200741 589992627 /nfs/dbraw/zinc/99/26/27/589992627.db2.gz FPANAJYOPTULRN-LLVKDONJSA-N 2 2 237.351 0.864 20 0 BCADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cnc(N)cn1 ZINC000873211124 589995715 /nfs/dbraw/zinc/99/57/15/589995715.db2.gz WAHGGMYIEPYMFI-SECBINFHSA-N 2 2 223.324 0.666 20 0 BCADLP Nc1cnc(C[NH2+]CC2([NH3+])CCCCC2)cn1 ZINC000873211148 589995933 /nfs/dbraw/zinc/99/59/33/589995933.db2.gz WOSGQRLFLPMURZ-UHFFFAOYSA-N 2 2 235.335 0.810 20 0 BCADLP c1c(C[NH2+][C@@H]2CC[NH2+]C2)sc2c1C[NH2+]CC2 ZINC000873211379 589996204 /nfs/dbraw/zinc/99/62/04/589996204.db2.gz ZJGJWPXZUPQBOE-SNVBAGLBSA-N 3 2 237.372 0.845 20 0 BCADLP Nc1cnc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000873211339 589996525 /nfs/dbraw/zinc/99/65/25/589996525.db2.gz YXWSUJZEVFDYBK-GFCCVEGCSA-N 2 2 233.319 0.244 20 0 BCADLP Nc1cnc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000873211339 589996527 /nfs/dbraw/zinc/99/65/27/589996527.db2.gz YXWSUJZEVFDYBK-GFCCVEGCSA-N 2 2 233.319 0.244 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnc(N)cn1 ZINC000873214089 589997246 /nfs/dbraw/zinc/99/72/46/589997246.db2.gz XNWCGJNBHZNBAE-IUCAKERBSA-N 2 2 221.308 0.370 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnc(N)cn1 ZINC000873214089 589997248 /nfs/dbraw/zinc/99/72/48/589997248.db2.gz XNWCGJNBHZNBAE-IUCAKERBSA-N 2 2 221.308 0.370 20 0 BCADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccnn1C ZINC000873223293 589999067 /nfs/dbraw/zinc/99/90/67/589999067.db2.gz MRXRAIIRJSXSLT-ZJUUUORDSA-N 2 2 208.309 0.823 20 0 BCADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cnc(N)cn3)CC[C@H]21 ZINC000873221600 589999722 /nfs/dbraw/zinc/99/97/22/589999722.db2.gz LQIFCXUPFLMOKK-CMPLNLGQSA-N 2 2 247.346 0.585 20 0 BCADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cnc(N)cn3)CC[C@H]21 ZINC000873221600 589999725 /nfs/dbraw/zinc/99/97/25/589999725.db2.gz LQIFCXUPFLMOKK-CMPLNLGQSA-N 2 2 247.346 0.585 20 0 BCADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cnc(N)cn3)CC[C@H]21 ZINC000873221600 589999726 /nfs/dbraw/zinc/99/97/26/589999726.db2.gz LQIFCXUPFLMOKK-CMPLNLGQSA-N 2 2 247.346 0.585 20 0 BCADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cnc(N)cn3)CC[C@H]21 ZINC000873221600 589999728 /nfs/dbraw/zinc/99/97/28/589999728.db2.gz LQIFCXUPFLMOKK-CMPLNLGQSA-N 2 2 247.346 0.585 20 0 BCADLP [NH3+][C@H]1C[C@H](C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000873255023 590010424 /nfs/dbraw/zinc/01/04/24/590010424.db2.gz DDFYVJLFUDYKAL-BQUFFADESA-N 3 2 239.363 0.080 20 0 BCADLP Cc1nonc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000873295572 590024462 /nfs/dbraw/zinc/02/44/62/590024462.db2.gz KKSQJKDCRYXYAM-RKDXNWHRSA-N 2 2 210.281 0.738 20 0 BCADLP Cc1nonc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000873295388 590024484 /nfs/dbraw/zinc/02/44/84/590024484.db2.gz HGDHFHGYFUVVTR-VHSXEESVSA-N 2 2 224.308 0.985 20 0 BCADLP C[C@H](C(=O)NC1=[NH+]CCS1)[NH+](C)C ZINC000873837630 590073761 /nfs/dbraw/zinc/07/37/61/590073761.db2.gz BCIHSEHGCZGPSH-ZCFIWIBFSA-N 2 2 201.295 0.156 20 0 BCADLP O=C(/C=C/[C@H]1CCC[NH2+]C1)NCc1[nH]cc[nH+]1 ZINC000876763035 590238823 /nfs/dbraw/zinc/23/88/23/590238823.db2.gz CMGNLKRJXFZLRB-HMDXOVGESA-N 2 2 234.303 0.582 20 0 BCADLP O=C(C=C[C@H]1CCC[NH2+]C1)NCc1[nH]cc[nH+]1 ZINC000876763035 590238824 /nfs/dbraw/zinc/23/88/24/590238824.db2.gz CMGNLKRJXFZLRB-HMDXOVGESA-N 2 2 234.303 0.582 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876778504 590240588 /nfs/dbraw/zinc/24/05/88/590240588.db2.gz GYSRZJOMPJBFGT-SCZZXKLOSA-N 2 2 236.319 0.708 20 0 BCADLP CCc1c[nH]c(CC(=O)N(C)CC[NH2+]C)[nH+]1 ZINC000876792881 590241875 /nfs/dbraw/zinc/24/18/75/590241875.db2.gz XOZAIFHDHQSICI-UHFFFAOYSA-N 2 2 224.308 0.192 20 0 BCADLP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000876882859 590253109 /nfs/dbraw/zinc/25/31/09/590253109.db2.gz UHSGUFHSVUFEKH-BDAKNGLRSA-N 2 2 222.292 0.399 20 0 BCADLP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000876882859 590253110 /nfs/dbraw/zinc/25/31/10/590253110.db2.gz UHSGUFHSVUFEKH-BDAKNGLRSA-N 2 2 222.292 0.399 20 0 BCADLP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000877105698 590284854 /nfs/dbraw/zinc/28/48/54/590284854.db2.gz RIYCHMYLSDHSRT-NXEZZACHSA-N 2 2 236.319 0.251 20 0 BCADLP CO[C@]1(C[NH2+]CC[N@@H+]2CCC[C@H]2C)CCOC1 ZINC000877154805 590293162 /nfs/dbraw/zinc/29/31/62/590293162.db2.gz ZPEAJENYEXDDBZ-OLZOCXBDSA-N 2 2 242.363 0.866 20 0 BCADLP CO[C@]1(C[NH2+]CC[N@H+]2CCC[C@H]2C)CCOC1 ZINC000877154805 590293164 /nfs/dbraw/zinc/29/31/64/590293164.db2.gz ZPEAJENYEXDDBZ-OLZOCXBDSA-N 2 2 242.363 0.866 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1F ZINC000877179330 590297837 /nfs/dbraw/zinc/29/78/37/590297837.db2.gz RRORBPKMAYSPBL-GARJFASQSA-N 2 2 245.342 0.662 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000877233293 590301641 /nfs/dbraw/zinc/30/16/41/590301641.db2.gz QVCMJNJCKQQHFE-BDAKNGLRSA-N 2 2 236.319 0.742 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877274307 590305687 /nfs/dbraw/zinc/30/56/87/590305687.db2.gz VAGRFMISDFGPQM-JQWIXIFHSA-N 2 2 248.330 0.614 20 0 BCADLP COC[C@@H](C)C[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000877665083 590388266 /nfs/dbraw/zinc/38/82/66/590388266.db2.gz GZEYCPDXWLPWLG-RYUDHWBXSA-N 2 2 244.379 0.704 20 0 BCADLP COC[C@@H](C)C[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000877665083 590388269 /nfs/dbraw/zinc/38/82/69/590388269.db2.gz GZEYCPDXWLPWLG-RYUDHWBXSA-N 2 2 244.379 0.704 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877741316 590409072 /nfs/dbraw/zinc/40/90/72/590409072.db2.gz ANVFUEVNMQGKFY-WCQYABFASA-N 2 2 234.347 0.946 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877741316 590409076 /nfs/dbraw/zinc/40/90/76/590409076.db2.gz ANVFUEVNMQGKFY-WCQYABFASA-N 2 2 234.347 0.946 20 0 BCADLP COC(=O)[C@H]1[C@@H]2C[N@@H+](CCc3c[nH+]cn3C)C[C@@H]21 ZINC000878641604 590599580 /nfs/dbraw/zinc/59/95/80/590599580.db2.gz VJOFFHCEXYGERM-GDNZZTSVSA-N 2 2 249.314 0.313 20 0 BCADLP COC(=O)[C@H]1[C@@H]2C[N@H+](CCc3c[nH+]cn3C)C[C@@H]21 ZINC000878641604 590599582 /nfs/dbraw/zinc/59/95/82/590599582.db2.gz VJOFFHCEXYGERM-GDNZZTSVSA-N 2 2 249.314 0.313 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879567749 590807354 /nfs/dbraw/zinc/80/73/54/590807354.db2.gz VCMZAZUYONTSQC-WDEREUQCSA-N 2 2 225.336 0.149 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879567749 590807357 /nfs/dbraw/zinc/80/73/57/590807357.db2.gz VCMZAZUYONTSQC-WDEREUQCSA-N 2 2 225.336 0.149 20 0 BCADLP CCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879567749 590807359 /nfs/dbraw/zinc/80/73/59/590807359.db2.gz VCMZAZUYONTSQC-WDEREUQCSA-N 2 2 225.336 0.149 20 0 BCADLP CCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879567749 590807362 /nfs/dbraw/zinc/80/73/62/590807362.db2.gz VCMZAZUYONTSQC-WDEREUQCSA-N 2 2 225.336 0.149 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](CCc3c[nH]nn3)CC[C@@H]21 ZINC000879578120 590812958 /nfs/dbraw/zinc/81/29/58/590812958.db2.gz AVKQYSQHKAIDJD-PWSUYJOCSA-N 2 2 235.335 0.373 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](CCc3c[nH]nn3)CC[C@@H]21 ZINC000879578120 590812960 /nfs/dbraw/zinc/81/29/60/590812960.db2.gz AVKQYSQHKAIDJD-PWSUYJOCSA-N 2 2 235.335 0.373 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](CCc3c[nH]nn3)CC[C@@H]21 ZINC000879578120 590812962 /nfs/dbraw/zinc/81/29/62/590812962.db2.gz AVKQYSQHKAIDJD-PWSUYJOCSA-N 2 2 235.335 0.373 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](CCc3c[nH]nn3)CC[C@@H]21 ZINC000879578120 590812964 /nfs/dbraw/zinc/81/29/64/590812964.db2.gz AVKQYSQHKAIDJD-PWSUYJOCSA-N 2 2 235.335 0.373 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](CCc3cn[nH]n3)CC[C@@H]21 ZINC000879578120 590812969 /nfs/dbraw/zinc/81/29/69/590812969.db2.gz AVKQYSQHKAIDJD-PWSUYJOCSA-N 2 2 235.335 0.373 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](CCc3cn[nH]n3)CC[C@@H]21 ZINC000879578120 590812974 /nfs/dbraw/zinc/81/29/74/590812974.db2.gz AVKQYSQHKAIDJD-PWSUYJOCSA-N 2 2 235.335 0.373 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](CCc3cn[nH]n3)CC[C@@H]21 ZINC000879578120 590812980 /nfs/dbraw/zinc/81/29/80/590812980.db2.gz AVKQYSQHKAIDJD-PWSUYJOCSA-N 2 2 235.335 0.373 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](CCc3cn[nH]n3)CC[C@@H]21 ZINC000879578120 590812984 /nfs/dbraw/zinc/81/29/84/590812984.db2.gz AVKQYSQHKAIDJD-PWSUYJOCSA-N 2 2 235.335 0.373 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](CCc3c[nH]nn3)CC[C@H]21 ZINC000879578121 590814787 /nfs/dbraw/zinc/81/47/87/590814787.db2.gz AVKQYSQHKAIDJD-ZYHUDNBSSA-N 2 2 235.335 0.373 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](CCc3c[nH]nn3)CC[C@H]21 ZINC000879578121 590814791 /nfs/dbraw/zinc/81/47/91/590814791.db2.gz AVKQYSQHKAIDJD-ZYHUDNBSSA-N 2 2 235.335 0.373 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](CCc3c[nH]nn3)CC[C@H]21 ZINC000879578121 590814796 /nfs/dbraw/zinc/81/47/96/590814796.db2.gz AVKQYSQHKAIDJD-ZYHUDNBSSA-N 2 2 235.335 0.373 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](CCc3c[nH]nn3)CC[C@H]21 ZINC000879578121 590814801 /nfs/dbraw/zinc/81/48/01/590814801.db2.gz AVKQYSQHKAIDJD-ZYHUDNBSSA-N 2 2 235.335 0.373 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](CCc3cn[nH]n3)CC[C@H]21 ZINC000879578121 590814804 /nfs/dbraw/zinc/81/48/04/590814804.db2.gz AVKQYSQHKAIDJD-ZYHUDNBSSA-N 2 2 235.335 0.373 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](CCc3cn[nH]n3)CC[C@H]21 ZINC000879578121 590814808 /nfs/dbraw/zinc/81/48/08/590814808.db2.gz AVKQYSQHKAIDJD-ZYHUDNBSSA-N 2 2 235.335 0.373 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](CCc3cn[nH]n3)CC[C@H]21 ZINC000879578121 590814813 /nfs/dbraw/zinc/81/48/13/590814813.db2.gz AVKQYSQHKAIDJD-ZYHUDNBSSA-N 2 2 235.335 0.373 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](CCc3cn[nH]n3)CC[C@H]21 ZINC000879578121 590814818 /nfs/dbraw/zinc/81/48/18/590814818.db2.gz AVKQYSQHKAIDJD-ZYHUDNBSSA-N 2 2 235.335 0.373 20 0 BCADLP C[N@@H+]1CC[C@H]2CN(Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC000879582062 590819746 /nfs/dbraw/zinc/81/97/46/590819746.db2.gz PNJNRPOMQOLCKA-JQWIXIFHSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@H+]1CC[C@H]2CN(Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC000879582062 590819747 /nfs/dbraw/zinc/81/97/47/590819747.db2.gz PNJNRPOMQOLCKA-JQWIXIFHSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](CC[S@](C)=O)CC[C@@H]21 ZINC000879580834 590819988 /nfs/dbraw/zinc/81/99/88/590819988.db2.gz LCPOBNZDANGBJL-ZETOZRRWSA-N 2 2 230.377 0.391 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](CC[S@](C)=O)CC[C@@H]21 ZINC000879580834 590819990 /nfs/dbraw/zinc/81/99/90/590819990.db2.gz LCPOBNZDANGBJL-ZETOZRRWSA-N 2 2 230.377 0.391 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](CC[S@](C)=O)CC[C@@H]21 ZINC000879580834 590819992 /nfs/dbraw/zinc/81/99/92/590819992.db2.gz LCPOBNZDANGBJL-ZETOZRRWSA-N 2 2 230.377 0.391 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](CC[S@](C)=O)CC[C@@H]21 ZINC000879580834 590819993 /nfs/dbraw/zinc/81/99/93/590819993.db2.gz LCPOBNZDANGBJL-ZETOZRRWSA-N 2 2 230.377 0.391 20 0 BCADLP CC(=O)[C@](C)(O)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580131 590821836 /nfs/dbraw/zinc/82/18/36/590821836.db2.gz RRYLICYDJQQOFP-YNEHKIRRSA-N 2 2 240.347 0.352 20 0 BCADLP CC(=O)[C@](C)(O)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580131 590821840 /nfs/dbraw/zinc/82/18/40/590821840.db2.gz RRYLICYDJQQOFP-YNEHKIRRSA-N 2 2 240.347 0.352 20 0 BCADLP CC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580131 590821843 /nfs/dbraw/zinc/82/18/43/590821843.db2.gz RRYLICYDJQQOFP-YNEHKIRRSA-N 2 2 240.347 0.352 20 0 BCADLP CC(=O)[C@](C)(O)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580131 590821846 /nfs/dbraw/zinc/82/18/46/590821846.db2.gz RRYLICYDJQQOFP-YNEHKIRRSA-N 2 2 240.347 0.352 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccnn1C ZINC000879687221 590848331 /nfs/dbraw/zinc/84/83/31/590848331.db2.gz PPTJYIBEZAMIQL-GHMZBOCLSA-N 2 2 240.351 0.383 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccnn1C ZINC000879687221 590848334 /nfs/dbraw/zinc/84/83/34/590848334.db2.gz PPTJYIBEZAMIQL-GHMZBOCLSA-N 2 2 240.351 0.383 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccnn1C ZINC000879687224 590848958 /nfs/dbraw/zinc/84/89/58/590848958.db2.gz PPTJYIBEZAMIQL-WDEREUQCSA-N 2 2 240.351 0.383 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccnn1C ZINC000879687224 590848959 /nfs/dbraw/zinc/84/89/59/590848959.db2.gz PPTJYIBEZAMIQL-WDEREUQCSA-N 2 2 240.351 0.383 20 0 BCADLP CNC(=O)CC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880132023 590935458 /nfs/dbraw/zinc/93/54/58/590935458.db2.gz MGZIOEBGBKMFHP-WDEREUQCSA-N 2 2 225.336 0.291 20 0 BCADLP CNC(=O)CC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880132023 590935459 /nfs/dbraw/zinc/93/54/59/590935459.db2.gz MGZIOEBGBKMFHP-WDEREUQCSA-N 2 2 225.336 0.291 20 0 BCADLP CNC(=O)CC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880132023 590935461 /nfs/dbraw/zinc/93/54/61/590935461.db2.gz MGZIOEBGBKMFHP-WDEREUQCSA-N 2 2 225.336 0.291 20 0 BCADLP CNC(=O)CC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880132023 590935462 /nfs/dbraw/zinc/93/54/62/590935462.db2.gz MGZIOEBGBKMFHP-WDEREUQCSA-N 2 2 225.336 0.291 20 0 BCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1COCCO1 ZINC000880142822 590941858 /nfs/dbraw/zinc/94/18/58/590941858.db2.gz UYAWOIZZXWHAER-FRRDWIJNSA-N 2 2 240.347 0.570 20 0 BCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1COCCO1 ZINC000880142822 590941860 /nfs/dbraw/zinc/94/18/60/590941860.db2.gz UYAWOIZZXWHAER-FRRDWIJNSA-N 2 2 240.347 0.570 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1COCCO1 ZINC000880142822 590941862 /nfs/dbraw/zinc/94/18/62/590941862.db2.gz UYAWOIZZXWHAER-FRRDWIJNSA-N 2 2 240.347 0.570 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1COCCO1 ZINC000880142822 590941863 /nfs/dbraw/zinc/94/18/63/590941863.db2.gz UYAWOIZZXWHAER-FRRDWIJNSA-N 2 2 240.347 0.570 20 0 BCADLP C[C@@H]1CC[C@H](CO)[N@@H+]1CCn1cc[nH+]c1 ZINC000880441647 591043506 /nfs/dbraw/zinc/04/35/06/591043506.db2.gz AVCSHHZULXQCAY-GHMZBOCLSA-N 2 2 209.293 0.728 20 0 BCADLP C[C@@H]1CC[C@H](CO)[N@H+]1CCn1cc[nH+]c1 ZINC000880441647 591043510 /nfs/dbraw/zinc/04/35/10/591043510.db2.gz AVCSHHZULXQCAY-GHMZBOCLSA-N 2 2 209.293 0.728 20 0 BCADLP CC[C@@H](C(N)=O)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880472327 591051459 /nfs/dbraw/zinc/05/14/59/591051459.db2.gz JZGBOCCDRINSMV-NSHDSACASA-N 2 2 239.363 0.811 20 0 BCADLP C[S@@](=O)CC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473776 591053710 /nfs/dbraw/zinc/05/37/10/591053710.db2.gz NUBQXIRIMLIVDM-MRXNPFEDSA-N 2 2 244.404 0.925 20 0 BCADLP c1[nH]c(C[NH+]2CCC3(CC2)COCCO3)c[nH+]1 ZINC000880546890 591087589 /nfs/dbraw/zinc/08/75/89/591087589.db2.gz VAYWTDXMMIPIGG-UHFFFAOYSA-N 2 2 237.303 0.791 20 0 BCADLP C[NH+](C)CC(=O)N1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC000880614071 591110698 /nfs/dbraw/zinc/11/06/98/591110698.db2.gz QGYYMBMRUCSXQL-LLVKDONJSA-N 2 2 241.379 0.737 20 0 BCADLP C[NH+](C)CC(=O)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC000880614071 591110700 /nfs/dbraw/zinc/11/07/00/591110700.db2.gz QGYYMBMRUCSXQL-LLVKDONJSA-N 2 2 241.379 0.737 20 0 BCADLP CN(C)c1cc(Cn2cc(CC[NH3+])nn2)cc[nH+]1 ZINC000881365261 591196167 /nfs/dbraw/zinc/19/61/67/591196167.db2.gz AXBJEYDGQNJAQO-UHFFFAOYSA-N 2 2 246.318 0.289 20 0 BCADLP Cc1[nH+]cnc(N[C@@H](CO)C[NH+](C)C)c1C ZINC000882370650 591338688 /nfs/dbraw/zinc/33/86/88/591338688.db2.gz ZEHYJEFDIPTVBR-SNVBAGLBSA-N 2 2 224.308 0.428 20 0 BCADLP CCN1CC[C@@H]1C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000883354901 591625689 /nfs/dbraw/zinc/62/56/89/591625689.db2.gz DQHROURGEWQMBZ-UTUOFQBUSA-N 2 2 211.353 0.620 20 0 BCADLP CCN1CC[C@@H]1C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000883354901 591625686 /nfs/dbraw/zinc/62/56/86/591625686.db2.gz DQHROURGEWQMBZ-UTUOFQBUSA-N 2 2 211.353 0.620 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000883416240 591652232 /nfs/dbraw/zinc/65/22/32/591652232.db2.gz PQONNBGJCQIQRH-LLVKDONJSA-N 3 2 222.336 0.633 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000883416240 591652235 /nfs/dbraw/zinc/65/22/35/591652235.db2.gz PQONNBGJCQIQRH-LLVKDONJSA-N 3 2 222.336 0.633 20 0 BCADLP [NH3+]CC[N@H+](CCO)CCCOC(F)(F)F ZINC000883424736 591658333 /nfs/dbraw/zinc/65/83/33/591658333.db2.gz BXPICNHHJSLGQT-UHFFFAOYSA-N 2 2 230.230 0.166 20 0 BCADLP [NH3+]CC[N@@H+](CCO)CCCOC(F)(F)F ZINC000883424736 591658335 /nfs/dbraw/zinc/65/83/35/591658335.db2.gz BXPICNHHJSLGQT-UHFFFAOYSA-N 2 2 230.230 0.166 20 0 BCADLP C[N@H+](CC[NH3+])C[C@H]1CCC2(CCOCC2)O1 ZINC000883433018 591662987 /nfs/dbraw/zinc/66/29/87/591662987.db2.gz GXWPNAVIRBALPM-LLVKDONJSA-N 2 2 228.336 0.605 20 0 BCADLP C[N@@H+](CC[NH3+])C[C@H]1CCC2(CCOCC2)O1 ZINC000883433018 591662988 /nfs/dbraw/zinc/66/29/88/591662988.db2.gz GXWPNAVIRBALPM-LLVKDONJSA-N 2 2 228.336 0.605 20 0 BCADLP C[C@@H]1C[N@H+](CCC[NH3+])CCN1c1cc[nH+]cc1 ZINC000883447708 591670338 /nfs/dbraw/zinc/67/03/38/591670338.db2.gz JKDYIOQYCAKJNO-GFCCVEGCSA-N 3 2 234.347 0.941 20 0 BCADLP C[C@@H]1C[N@@H+](CCC[NH3+])CCN1c1cc[nH+]cc1 ZINC000883447708 591670342 /nfs/dbraw/zinc/67/03/42/591670342.db2.gz JKDYIOQYCAKJNO-GFCCVEGCSA-N 3 2 234.347 0.941 20 0 BCADLP CC[NH+]1CCC([NH2+]CC[S@@](=O)CC)CC1 ZINC000133503117 591806618 /nfs/dbraw/zinc/80/66/18/591806618.db2.gz NYEWKCYGCGKCTF-OAHLLOKOSA-N 2 2 232.393 0.829 20 0 BCADLP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000133908570 591869045 /nfs/dbraw/zinc/86/90/45/591869045.db2.gz NPEFRPYVKBVGFZ-SCVCMEIPSA-N 2 2 228.336 0.209 20 0 BCADLP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000133908570 591869049 /nfs/dbraw/zinc/86/90/49/591869049.db2.gz NPEFRPYVKBVGFZ-SCVCMEIPSA-N 2 2 228.336 0.209 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884363501 591916288 /nfs/dbraw/zinc/91/62/88/591916288.db2.gz DGGJQGUDYZBUGD-ZJUUUORDSA-N 2 2 236.319 0.503 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884363501 591916291 /nfs/dbraw/zinc/91/62/91/591916291.db2.gz DGGJQGUDYZBUGD-ZJUUUORDSA-N 2 2 236.319 0.503 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884363499 591916411 /nfs/dbraw/zinc/91/64/11/591916411.db2.gz DGGJQGUDYZBUGD-UWVGGRQHSA-N 2 2 236.319 0.503 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884363499 591916412 /nfs/dbraw/zinc/91/64/12/591916412.db2.gz DGGJQGUDYZBUGD-UWVGGRQHSA-N 2 2 236.319 0.503 20 0 BCADLP O=C1OCC[C@@H]1[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000216286959 592016900 /nfs/dbraw/zinc/01/69/00/592016900.db2.gz ZSFHHMCYFYKXNT-SRVKXCTJSA-N 2 2 238.331 0.766 20 0 BCADLP O=C1OCC[C@@H]1[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000216286959 592016903 /nfs/dbraw/zinc/01/69/03/592016903.db2.gz ZSFHHMCYFYKXNT-SRVKXCTJSA-N 2 2 238.331 0.766 20 0 BCADLP Cc1cccc(NCC[N@H+](C)CCO)[nH+]1 ZINC000884824966 592022139 /nfs/dbraw/zinc/02/21/39/592022139.db2.gz XTLNNPGMUNEPGU-UHFFFAOYSA-N 2 2 209.293 0.726 20 0 BCADLP Cc1cccc(NCC[N@@H+](C)CCO)[nH+]1 ZINC000884824966 592022141 /nfs/dbraw/zinc/02/21/41/592022141.db2.gz XTLNNPGMUNEPGU-UHFFFAOYSA-N 2 2 209.293 0.726 20 0 BCADLP COc1c(C)[nH+]cnc1NCC[N@H+](C)CCO ZINC000884825305 592023701 /nfs/dbraw/zinc/02/37/01/592023701.db2.gz PFURJYAIFFXONZ-UHFFFAOYSA-N 2 2 240.307 0.130 20 0 BCADLP COc1c(C)[nH+]cnc1NCC[N@@H+](C)CCO ZINC000884825305 592023704 /nfs/dbraw/zinc/02/37/04/592023704.db2.gz PFURJYAIFFXONZ-UHFFFAOYSA-N 2 2 240.307 0.130 20 0 BCADLP O[C@@H]1C[C@H]([NH2+]Cc2cccc3[nH+]ccn32)C[C@@H]1O ZINC000886255602 592188254 /nfs/dbraw/zinc/18/82/54/592188254.db2.gz BORDLZMRWBGSBI-YHPBZONMSA-N 2 2 247.298 0.308 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCCn2nncc2C1 ZINC000886460947 592228084 /nfs/dbraw/zinc/22/80/84/592228084.db2.gz CRSSDFPBUHQWRP-UHFFFAOYSA-N 2 2 246.318 0.689 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCCn2nncc2C1 ZINC000886460947 592228086 /nfs/dbraw/zinc/22/80/86/592228086.db2.gz CRSSDFPBUHQWRP-UHFFFAOYSA-N 2 2 246.318 0.689 20 0 BCADLP Cc1c[nH]nc1C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000886829847 592350767 /nfs/dbraw/zinc/35/07/67/592350767.db2.gz IAQPEKLAXIUGBR-LLVKDONJSA-N 2 2 208.309 0.935 20 0 BCADLP Cc1cn[nH]c1C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000886829847 592350763 /nfs/dbraw/zinc/35/07/63/592350763.db2.gz IAQPEKLAXIUGBR-LLVKDONJSA-N 2 2 208.309 0.935 20 0 BCADLP CC[N@H+](CCOCC(F)F)[C@H]1CC[NH2+]C1 ZINC000886850334 592364785 /nfs/dbraw/zinc/36/47/85/592364785.db2.gz ASNCIKWCBHZFBO-VIFPVBQESA-N 2 2 222.279 0.952 20 0 BCADLP CC[N@@H+](CCOCC(F)F)[C@H]1CC[NH2+]C1 ZINC000886850334 592364788 /nfs/dbraw/zinc/36/47/88/592364788.db2.gz ASNCIKWCBHZFBO-VIFPVBQESA-N 2 2 222.279 0.952 20 0 BCADLP CC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CC[NH2+]C1 ZINC000886847061 592364943 /nfs/dbraw/zinc/36/49/43/592364943.db2.gz YACVRGAIPNPYKB-VXGBXAGGSA-N 3 2 239.363 0.191 20 0 BCADLP CC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CC[NH2+]C1 ZINC000886847061 592364948 /nfs/dbraw/zinc/36/49/48/592364948.db2.gz YACVRGAIPNPYKB-VXGBXAGGSA-N 3 2 239.363 0.191 20 0 BCADLP CC(C)[C@H](C(=O)NCc1cn(C)c[nH+]1)[NH+](C)C ZINC000890110964 592684056 /nfs/dbraw/zinc/68/40/56/592684056.db2.gz XPLLBLVFAMKOAA-LLVKDONJSA-N 2 2 238.335 0.623 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000925704274 634384734 /nfs/dbraw/zinc/38/47/34/634384734.db2.gz FOTQKLAUKGUEAJ-NXEZZACHSA-N 3 2 247.333 0.961 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CCNCC1(F)F ZINC000925704274 634384737 /nfs/dbraw/zinc/38/47/37/634384737.db2.gz FOTQKLAUKGUEAJ-NXEZZACHSA-N 2 2 247.333 0.961 20 0 BCADLP CC(C)([NH3+])CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925736605 634588158 /nfs/dbraw/zinc/58/81/58/634588158.db2.gz HXIFDBFHQMPPSL-RNWYCLNJSA-N 3 2 223.364 0.700 20 0 BCADLP CCO[C@H](C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)C[NH+](C)C ZINC000925838761 635500758 /nfs/dbraw/zinc/50/07/58/635500758.db2.gz NVASNCJEOFBEJE-RWMBFGLXSA-N 3 2 243.395 0.541 20 0 BCADLP CCO[C@H](C[NH2+][C@H](C)[C@H]1CC[NH2+]C1)C[NH+](C)C ZINC000925838751 635501664 /nfs/dbraw/zinc/50/16/64/635501664.db2.gz NVASNCJEOFBEJE-FRRDWIJNSA-N 3 2 243.395 0.541 20 0 BCADLP CCC[C@H](O)CC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000925855008 635544951 /nfs/dbraw/zinc/54/49/51/635544951.db2.gz FYNDBHVXACHKJW-AGIUHOORSA-N 2 2 244.379 0.894 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CNOC2)[C@H](C)C1 ZINC000925864619 635564065 /nfs/dbraw/zinc/56/40/65/635564065.db2.gz JQZRJOIXJHUEAG-GMTAPVOTSA-N 2 2 213.325 0.210 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CNOC2)[C@H](C)C1 ZINC000925864619 635564067 /nfs/dbraw/zinc/56/40/67/635564067.db2.gz JQZRJOIXJHUEAG-GMTAPVOTSA-N 2 2 213.325 0.210 20 0 BCADLP COC[C@@H]1COCC[N@@H+]1CCn1cc[nH+]c1C ZINC000933330919 631263395 /nfs/dbraw/zinc/26/33/95/631263395.db2.gz KGMXRIGRSDJXCO-GFCCVEGCSA-N 2 2 239.319 0.539 20 0 BCADLP COC[C@@H]1COCC[N@H+]1CCn1cc[nH+]c1C ZINC000933330919 631263401 /nfs/dbraw/zinc/26/34/01/631263401.db2.gz KGMXRIGRSDJXCO-GFCCVEGCSA-N 2 2 239.319 0.539 20 0 BCADLP C[C@H](CCO)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000308600344 631444518 /nfs/dbraw/zinc/44/45/18/631444518.db2.gz ANKBLTMLPCMRIV-WDEREUQCSA-N 2 2 200.326 0.689 20 0 BCADLP C[C@H](CCO)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000308600344 631444525 /nfs/dbraw/zinc/44/45/25/631444525.db2.gz ANKBLTMLPCMRIV-WDEREUQCSA-N 2 2 200.326 0.689 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCOC[C@H](C)C1 ZINC000309215904 631968857 /nfs/dbraw/zinc/96/88/57/631968857.db2.gz FOBSWSNLPDNXNQ-NEPJUHHUSA-N 2 2 230.352 0.267 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCOC[C@H](C)C1 ZINC000309215904 631968859 /nfs/dbraw/zinc/96/88/59/631968859.db2.gz FOBSWSNLPDNXNQ-NEPJUHHUSA-N 2 2 230.352 0.267 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCOC[C@H](C)C1 ZINC000309215904 631968864 /nfs/dbraw/zinc/96/88/64/631968864.db2.gz FOBSWSNLPDNXNQ-NEPJUHHUSA-N 2 2 230.352 0.267 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCOC[C@H](C)C1 ZINC000309215904 631968867 /nfs/dbraw/zinc/96/88/67/631968867.db2.gz FOBSWSNLPDNXNQ-NEPJUHHUSA-N 2 2 230.352 0.267 20 0 BCADLP CCS(=O)(=O)CC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250260176 632541250 /nfs/dbraw/zinc/54/12/50/632541250.db2.gz ZDFIWCGQGHXHHN-WDEREUQCSA-N 2 2 248.392 0.480 20 0 BCADLP CCS(=O)(=O)CC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250260176 632541259 /nfs/dbraw/zinc/54/12/59/632541259.db2.gz ZDFIWCGQGHXHHN-WDEREUQCSA-N 2 2 248.392 0.480 20 0 BCADLP OCCOCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924568442 632902423 /nfs/dbraw/zinc/90/24/23/632902423.db2.gz CJRQEDREMZIJGN-OLZOCXBDSA-N 2 2 242.363 0.602 20 0 BCADLP OCCOCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924568442 632902427 /nfs/dbraw/zinc/90/24/27/632902427.db2.gz CJRQEDREMZIJGN-OLZOCXBDSA-N 2 2 242.363 0.602 20 0 BCADLP O=c1cc(C[NH2+]CC[NH+]2CCCCC2)cc[nH]1 ZINC000236410722 632933828 /nfs/dbraw/zinc/93/38/28/632933828.db2.gz FAVULEPFYNLZJW-UHFFFAOYSA-N 2 2 235.331 0.950 20 0 BCADLP COc1c(C)c[nH+]c(CNC(=O)[C@@H](C)[NH3+])c1C ZINC000166465529 633114102 /nfs/dbraw/zinc/11/41/02/633114102.db2.gz UHCXOSBVWKNRIB-SECBINFHSA-N 2 2 237.303 0.670 20 0 BCADLP C[C@@H]1[C@@H](NC(=O)CNc2cccc[nH+]2)CC[N@@H+]1C ZINC000928431244 635915153 /nfs/dbraw/zinc/91/51/53/635915153.db2.gz MFYXUDLXCUTUPI-MNOVXSKESA-N 2 2 248.330 0.702 20 0 BCADLP C[C@@H]1[C@@H](NC(=O)CNc2cccc[nH+]2)CC[N@H+]1C ZINC000928431244 635915159 /nfs/dbraw/zinc/91/51/59/635915159.db2.gz MFYXUDLXCUTUPI-MNOVXSKESA-N 2 2 248.330 0.702 20 0 BCADLP CN(CC[NH+](C)C)c1nccn2c[nH+]cc12 ZINC000892777296 633225330 /nfs/dbraw/zinc/22/53/30/633225330.db2.gz OUULDTAASSEGLD-UHFFFAOYSA-N 2 2 219.292 0.727 20 0 BCADLP C[C@H]1[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000928445454 635949634 /nfs/dbraw/zinc/94/96/34/635949634.db2.gz YLSCNTZACWUHPU-UWVGGRQHSA-N 2 2 236.319 0.551 20 0 BCADLP C[C@H]1[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000928445454 635949635 /nfs/dbraw/zinc/94/96/35/635949635.db2.gz YLSCNTZACWUHPU-UWVGGRQHSA-N 2 2 236.319 0.551 20 0 BCADLP CSCCCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925501648 633823583 /nfs/dbraw/zinc/82/35/83/633823583.db2.gz DCHPSPMPWXNBFL-SNVBAGLBSA-N 2 2 218.366 0.708 20 0 BCADLP CC(C)COCCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925516008 633860302 /nfs/dbraw/zinc/86/03/02/633860302.db2.gz BHTQXSYTWVXITH-LBPRGKRZSA-N 2 2 230.352 0.627 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C[C@H]1CCCO1 ZINC000309982871 634025603 /nfs/dbraw/zinc/02/56/03/634025603.db2.gz BOUXIIVUCVYSHA-QWHCGFSZSA-N 2 2 242.363 0.554 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C[C@H]1CCCO1 ZINC000309982871 634025605 /nfs/dbraw/zinc/02/56/05/634025605.db2.gz BOUXIIVUCVYSHA-QWHCGFSZSA-N 2 2 242.363 0.554 20 0 BCADLP C([NH2+][C@@H]1C[NH2+]CCOC1)C1(C2CC2)CC1 ZINC000925590403 634102969 /nfs/dbraw/zinc/10/29/69/634102969.db2.gz QHEZUDKVCXJGMH-LLVKDONJSA-N 2 2 210.321 0.755 20 0 BCADLP CC(C)NC(=O)CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925596206 634114535 /nfs/dbraw/zinc/11/45/35/634114535.db2.gz VGIZLWHJMGUHKP-SNVBAGLBSA-N 2 2 227.352 0.631 20 0 BCADLP Cc1[nH]c(C[NH+]2[C@@H](CO)CC[C@@H]2CO)c(C)[nH+]1 ZINC000930901518 634163930 /nfs/dbraw/zinc/16/39/30/634163930.db2.gz GMTIKVRCWNYSRK-GHMZBOCLSA-N 2 2 239.319 0.344 20 0 BCADLP C[N@H+](CCCC[NH2+][C@@H]1C[NH2+]CCOC1)C1CC1 ZINC000925684023 634291630 /nfs/dbraw/zinc/29/16/30/634291630.db2.gz DANNYVANBPYFGB-GFCCVEGCSA-N 3 2 241.379 0.439 20 0 BCADLP C[N@@H+](CCCC[NH2+][C@@H]1C[NH2+]CCOC1)C1CC1 ZINC000925684023 634291639 /nfs/dbraw/zinc/29/16/39/634291639.db2.gz DANNYVANBPYFGB-GFCCVEGCSA-N 3 2 241.379 0.439 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925696205 634351961 /nfs/dbraw/zinc/35/19/61/634351961.db2.gz YCFQDENEAHNUGM-NNYUYHANSA-N 3 2 223.364 0.973 20 0 BCADLP CC(C)CNC(=O)C1CC[NH+](CC[NH3+])CC1 ZINC000258871019 635217744 /nfs/dbraw/zinc/21/77/44/635217744.db2.gz ZQPCXKSOAFVCAO-UHFFFAOYSA-N 2 2 227.352 0.429 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222706878 635359081 /nfs/dbraw/zinc/35/90/81/635359081.db2.gz UPGQKKHIQHKMPX-RYUDHWBXSA-N 2 2 241.379 0.927 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222706878 635359088 /nfs/dbraw/zinc/35/90/88/635359088.db2.gz UPGQKKHIQHKMPX-RYUDHWBXSA-N 2 2 241.379 0.927 20 0 BCADLP C1=C[C@@H](C[NH2+][C@@H]2C[NH2+]CCOC2)[C@H]2CO[C@@H]1C2 ZINC000925832822 635474590 /nfs/dbraw/zinc/47/45/90/635474590.db2.gz UNHGGWFUSYYCHD-LOWDOPEQSA-N 2 2 238.331 0.156 20 0 BCADLP CC(C)([NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000169811049 636574761 /nfs/dbraw/zinc/57/47/61/636574761.db2.gz WSUHQYZSAHTKEJ-VIFPVBQESA-N 2 2 236.319 0.853 20 0 BCADLP CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC000987059407 636620499 /nfs/dbraw/zinc/62/04/99/636620499.db2.gz QPEADOSVJCNYPK-ONGXEEELSA-N 2 2 236.319 0.551 20 0 BCADLP CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000989610910 636867716 /nfs/dbraw/zinc/86/77/16/636867716.db2.gz FZWBZNUHXUVSQG-ZJUUUORDSA-N 2 2 236.319 0.551 20 0 BCADLP CCOC[C@@H](C)[NH2+]C[C@H](C[NH+](C)C)OCC ZINC000926959334 636971369 /nfs/dbraw/zinc/97/13/69/636971369.db2.gz AXSBXXVYXDPSCO-VXGBXAGGSA-N 2 2 232.368 0.968 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040601182 636935807 /nfs/dbraw/zinc/93/58/07/636935807.db2.gz BXIKWXUDJHVQFR-GFCCVEGCSA-N 2 2 241.379 0.786 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040601182 636935817 /nfs/dbraw/zinc/93/58/17/636935817.db2.gz BXIKWXUDJHVQFR-GFCCVEGCSA-N 2 2 241.379 0.786 20 0 BCADLP Cc1[nH]c(CNC(=O)C23CC[NH+](CC2)C3)[nH+]c1C ZINC000901000165 637224438 /nfs/dbraw/zinc/22/44/38/637224438.db2.gz LGUVBXIKZQWKEQ-UHFFFAOYSA-N 2 2 248.330 0.739 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCCON)C[N@@H+]1C1CC1 ZINC000902418923 637302712 /nfs/dbraw/zinc/30/27/12/637302712.db2.gz OSRVJIFZTXNREU-ZJUUUORDSA-N 2 2 213.325 0.482 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCCON)C[N@H+]1C1CC1 ZINC000902418923 637302715 /nfs/dbraw/zinc/30/27/15/637302715.db2.gz OSRVJIFZTXNREU-ZJUUUORDSA-N 2 2 213.325 0.482 20 0 BCADLP COC(=O)[C@]1(F)CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903463796 637364073 /nfs/dbraw/zinc/36/40/73/637364073.db2.gz NDQAZXJTFCGHQD-SCVCMEIPSA-N 2 2 244.310 0.429 20 0 BCADLP COC(=O)[C@]1(F)CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903463796 637364083 /nfs/dbraw/zinc/36/40/83/637364083.db2.gz NDQAZXJTFCGHQD-SCVCMEIPSA-N 2 2 244.310 0.429 20 0 BCADLP CC(C)N(C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000903565547 637370873 /nfs/dbraw/zinc/37/08/73/637370873.db2.gz LSYYYZABVAVSMB-UHFFFAOYSA-N 2 2 242.367 0.459 20 0 BCADLP CCCN(C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000903564962 637371900 /nfs/dbraw/zinc/37/19/00/637371900.db2.gz AGWOGFQDIOIVIK-UHFFFAOYSA-N 2 2 242.367 0.461 20 0 BCADLP CC(C)([NH3+])C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000904429058 637398953 /nfs/dbraw/zinc/39/89/53/637398953.db2.gz VXPHPMXUMBVHJW-UHFFFAOYSA-N 2 2 227.308 0.298 20 0 BCADLP CN(C)C(=O)c1cccc(C[NH2+]CC2([NH3+])CC2)c1 ZINC000904443298 637411486 /nfs/dbraw/zinc/41/14/86/637411486.db2.gz IXGPNGQHLBKQRQ-UHFFFAOYSA-N 2 2 247.342 0.969 20 0 BCADLP [NH3+]C1(C[NH2+]Cc2cnc3cnccn23)CC1 ZINC000904449592 637413512 /nfs/dbraw/zinc/41/35/12/637413512.db2.gz LJTQLZINGTWGCE-UHFFFAOYSA-N 2 2 217.276 0.310 20 0 BCADLP COCCCn1nccc1C[NH2+]CC1([NH3+])CC1 ZINC000904445596 637414360 /nfs/dbraw/zinc/41/43/60/637414360.db2.gz XOPDPVFOTFAHGF-UHFFFAOYSA-N 2 2 238.335 0.501 20 0 BCADLP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000904459370 637420983 /nfs/dbraw/zinc/42/09/83/637420983.db2.gz QYDLTOATPYRWII-QEGRKFQGSA-N 3 2 231.343 0.938 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[NH2+][C@]1(C)CCNC1=O ZINC000904469279 637422316 /nfs/dbraw/zinc/42/23/16/637422316.db2.gz LANRRQQEUOKYGI-MWLCHTKSSA-N 2 2 213.325 0.228 20 0 BCADLP CC(C)CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000905004409 637541279 /nfs/dbraw/zinc/54/12/79/637541279.db2.gz JYKBFMKCHYXZRP-UHFFFAOYSA-N 2 2 242.367 0.365 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905044579 637562587 /nfs/dbraw/zinc/56/25/87/637562587.db2.gz FGCMPYPXAHQYDT-GHMZBOCLSA-N 2 2 239.319 0.137 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@](C)(O)C(F)F ZINC000905047984 637567229 /nfs/dbraw/zinc/56/72/29/637567229.db2.gz WDTGHLNPDTUADJ-SCZZXKLOSA-N 2 2 233.262 0.877 20 0 BCADLP C[C@](O)(C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C(F)F ZINC000905264747 637717597 /nfs/dbraw/zinc/71/75/97/637717597.db2.gz WDSQYLAPTPGRQY-HQJQHLMTSA-N 2 2 245.273 0.873 20 0 BCADLP CC[C@@H]([NH3+])c1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905817257 637943218 /nfs/dbraw/zinc/94/32/18/637943218.db2.gz OJIFBCVRGSRMJY-SECBINFHSA-N 2 2 232.291 0.713 20 0 BCADLP C[C@H](N[C@H]1CC[N@H+](C)C1)c1c[nH+]ccc1N ZINC000906498759 638173805 /nfs/dbraw/zinc/17/38/05/638173805.db2.gz DTFAWRRIOVOBQP-UWVGGRQHSA-N 2 2 220.320 0.849 20 0 BCADLP C[C@H](N[C@H]1CC[N@@H+](C)C1)c1c[nH+]ccc1N ZINC000906498759 638173810 /nfs/dbraw/zinc/17/38/10/638173810.db2.gz DTFAWRRIOVOBQP-UWVGGRQHSA-N 2 2 220.320 0.849 20 0 BCADLP C[C@H]([NH2+][C@H]1CCN(C)C1)c1c[nH+]ccc1N ZINC000906498759 638173815 /nfs/dbraw/zinc/17/38/15/638173815.db2.gz DTFAWRRIOVOBQP-UWVGGRQHSA-N 2 2 220.320 0.849 20 0 BCADLP [NH3+]C1CC([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000906510585 638183455 /nfs/dbraw/zinc/18/34/55/638183455.db2.gz MJRINECRKDOGCE-UHFFFAOYSA-N 3 2 223.364 0.940 20 0 BCADLP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000906517590 638187260 /nfs/dbraw/zinc/18/72/60/638187260.db2.gz IBJBOIAAYDHPEH-JZRPKSSGSA-N 3 2 223.364 0.986 20 0 BCADLP CN(CC[N@H+](C)C1CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000907446736 638386728 /nfs/dbraw/zinc/38/67/28/638386728.db2.gz CTLNTCBAGAZJNN-UHFFFAOYSA-N 2 2 236.319 0.505 20 0 BCADLP CN(CC[N@@H+](C)C1CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000907446736 638386731 /nfs/dbraw/zinc/38/67/31/638386731.db2.gz CTLNTCBAGAZJNN-UHFFFAOYSA-N 2 2 236.319 0.505 20 0 BCADLP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000907518351 638401448 /nfs/dbraw/zinc/40/14/48/638401448.db2.gz GUKAYPUETYYKCB-GHMZBOCLSA-N 2 2 236.319 0.551 20 0 BCADLP C[NH+](C)C1(CNC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC000907606237 638420283 /nfs/dbraw/zinc/42/02/83/638420283.db2.gz IDJZIOKGCWJHNE-UHFFFAOYSA-N 2 2 236.319 0.553 20 0 BCADLP CC[NH+](CC)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000907876963 638496479 /nfs/dbraw/zinc/49/64/79/638496479.db2.gz QTRFPTDYKCGTLL-SNVBAGLBSA-N 2 2 238.335 0.799 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NC1CC([NH+](C)C)C1 ZINC000908012074 638547042 /nfs/dbraw/zinc/54/70/42/638547042.db2.gz LVHDHPXMPROLGY-UHFFFAOYSA-N 2 2 236.319 0.469 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000908262484 638627473 /nfs/dbraw/zinc/62/74/73/638627473.db2.gz XSGZMALQSVZTQB-JTQLQIEISA-N 2 2 238.335 0.797 20 0 BCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC000908262484 638627477 /nfs/dbraw/zinc/62/74/77/638627477.db2.gz XSGZMALQSVZTQB-JTQLQIEISA-N 2 2 238.335 0.797 20 0 BCADLP C[N@@H+]1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000908348394 638659917 /nfs/dbraw/zinc/65/99/17/638659917.db2.gz OAUVYGXMPXCYNA-MWLCHTKSSA-N 2 2 234.303 0.115 20 0 BCADLP C[N@H+]1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000908348394 638659919 /nfs/dbraw/zinc/65/99/19/638659919.db2.gz OAUVYGXMPXCYNA-MWLCHTKSSA-N 2 2 234.303 0.115 20 0 BCADLP C[N@H+](CC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CCC1 ZINC000908758406 639061246 /nfs/dbraw/zinc/06/12/46/639061246.db2.gz KHRGFKYCMSCELJ-JTQLQIEISA-N 2 2 248.330 0.408 20 0 BCADLP C[N@@H+](CC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CCC1 ZINC000908758406 639061253 /nfs/dbraw/zinc/06/12/53/639061253.db2.gz KHRGFKYCMSCELJ-JTQLQIEISA-N 2 2 248.330 0.408 20 0 BCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)Cc1c[nH+]c[nH]1 ZINC000911200474 639596743 /nfs/dbraw/zinc/59/67/43/639596743.db2.gz KBPBILOXLVPJPY-LLVKDONJSA-N 2 2 236.319 0.505 20 0 BCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)Cc1c[nH+]c[nH]1 ZINC000911200474 639596751 /nfs/dbraw/zinc/59/67/51/639596751.db2.gz KBPBILOXLVPJPY-LLVKDONJSA-N 2 2 236.319 0.505 20 0 BCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000911302338 639616208 /nfs/dbraw/zinc/61/62/08/639616208.db2.gz KSXPRVJVMNMUGA-CMPLNLGQSA-N 2 2 248.330 0.505 20 0 BCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000911302338 639616212 /nfs/dbraw/zinc/61/62/12/639616212.db2.gz KSXPRVJVMNMUGA-CMPLNLGQSA-N 2 2 248.330 0.505 20 0 BCADLP [NH3+][C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000911620703 639682448 /nfs/dbraw/zinc/68/24/48/639682448.db2.gz RYMUUDWGRSTUOG-WDEREUQCSA-N 2 2 248.330 0.395 20 0 BCADLP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000911660944 639692601 /nfs/dbraw/zinc/69/26/01/639692601.db2.gz PQRVUOKASNYGAL-WDEREUQCSA-N 2 2 248.330 0.266 20 0 BCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[NH2+]CC1 ZINC000911646876 639700101 /nfs/dbraw/zinc/70/01/01/639700101.db2.gz FAVLKQRQTQFOMC-UHFFFAOYSA-N 2 2 230.271 0.608 20 0 BCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[NH2+]CC1 ZINC000911655304 639712958 /nfs/dbraw/zinc/71/29/58/639712958.db2.gz CWNVXEWPQBFOAL-UHFFFAOYSA-N 2 2 244.298 0.998 20 0 BCADLP CN(C(=O)C[C@H]([NH3+])C(F)F)C1CC[NH2+]CC1 ZINC000911693061 639728953 /nfs/dbraw/zinc/72/89/53/639728953.db2.gz ZJILEEYHDXCLGI-QMMMGPOBSA-N 2 2 235.278 0.179 20 0 BCADLP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000911719248 639744170 /nfs/dbraw/zinc/74/41/70/639744170.db2.gz DSTCWMHCRMZCGZ-GMTAPVOTSA-N 2 2 248.330 0.344 20 0 BCADLP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000911724672 639748286 /nfs/dbraw/zinc/74/82/86/639748286.db2.gz NIAWHJDTJNNACU-QWRGUYRKSA-N 2 2 248.330 0.266 20 0 BCADLP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911724673 639749673 /nfs/dbraw/zinc/74/96/73/639749673.db2.gz NIAWHJDTJNNACU-WDEREUQCSA-N 2 2 248.330 0.266 20 0 BCADLP [NH3+][C@@H](CC(=O)NC[C@@H]1CCC[NH2+]C1)C(F)F ZINC000911706156 639760502 /nfs/dbraw/zinc/76/05/02/639760502.db2.gz FABYPEIKYIRCOL-SFYZADRCSA-N 2 2 235.278 0.085 20 0 BCADLP C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC000911737652 639764643 /nfs/dbraw/zinc/76/46/43/639764643.db2.gz XYESXJPPFIREPK-HTQZYQBOSA-N 2 2 235.278 0.179 20 0 BCADLP CC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000911751350 639777420 /nfs/dbraw/zinc/77/74/20/639777420.db2.gz YCZISESYWVAPQU-NXEZZACHSA-N 2 2 236.319 0.249 20 0 BCADLP C[C@@H]([NH3+])C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000911752827 639780692 /nfs/dbraw/zinc/78/06/92/639780692.db2.gz HJBKPAWOLYDHPB-SECBINFHSA-N 2 2 236.319 0.538 20 0 BCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911752642 639781384 /nfs/dbraw/zinc/78/13/84/639781384.db2.gz XJZXHWLUBRAABE-NXEZZACHSA-N 2 2 236.319 0.457 20 0 BCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911752642 639781386 /nfs/dbraw/zinc/78/13/86/639781386.db2.gz XJZXHWLUBRAABE-NXEZZACHSA-N 2 2 236.319 0.457 20 0 BCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]C1CC1 ZINC000911755653 639785199 /nfs/dbraw/zinc/78/51/99/639785199.db2.gz SVBXWMGOVIAXRE-VIFPVBQESA-N 2 2 236.319 0.457 20 0 BCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]C1CC1 ZINC000911755653 639785203 /nfs/dbraw/zinc/78/52/03/639785203.db2.gz SVBXWMGOVIAXRE-VIFPVBQESA-N 2 2 236.319 0.457 20 0 BCADLP CCCN(C(=O)C[C@H]([NH3+])C(F)F)[C@@H]1CC[NH2+]C1 ZINC000911768403 639793667 /nfs/dbraw/zinc/79/36/67/639793667.db2.gz QECBWWCYRYICKU-BDAKNGLRSA-N 2 2 249.305 0.569 20 0 BCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911781808 639798548 /nfs/dbraw/zinc/79/85/48/639798548.db2.gz AXFHJUUJBGJMRL-GXSJLCMTSA-N 2 2 236.319 0.409 20 0 BCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911781808 639798560 /nfs/dbraw/zinc/79/85/60/639798560.db2.gz AXFHJUUJBGJMRL-GXSJLCMTSA-N 2 2 236.319 0.409 20 0 BCADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[NH2+]1 ZINC000911803821 639825359 /nfs/dbraw/zinc/82/53/59/639825359.db2.gz XVNFEEJZRDSVCY-HBNTYKKESA-N 2 2 248.330 0.344 20 0 BCADLP Cc1cc(NC(=O)NC[C@@H]2CC[N@H+]2C)c(C)c[nH+]1 ZINC000930628077 639831152 /nfs/dbraw/zinc/83/11/52/639831152.db2.gz XGJWEZGXFNZJDR-NSHDSACASA-N 2 2 248.330 0.946 20 0 BCADLP Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+]2C)c(C)c[nH+]1 ZINC000930628077 639831154 /nfs/dbraw/zinc/83/11/54/639831154.db2.gz XGJWEZGXFNZJDR-NSHDSACASA-N 2 2 248.330 0.946 20 0 BCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000911810544 639832803 /nfs/dbraw/zinc/83/28/03/639832803.db2.gz NDUZXGCSHCNJDR-BDAKNGLRSA-N 2 2 224.308 0.394 20 0 BCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000911810544 639832805 /nfs/dbraw/zinc/83/28/05/639832805.db2.gz NDUZXGCSHCNJDR-BDAKNGLRSA-N 2 2 224.308 0.394 20 0 BCADLP C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[NH2+]1 ZINC000911812708 639834139 /nfs/dbraw/zinc/83/41/39/639834139.db2.gz USXJRLLBNHQGJG-VIFPVBQESA-N 2 2 244.298 0.997 20 0 BCADLP CC(C)[C@@H]([NH3+])CNC(=O)C[C@@H]([NH3+])C(F)F ZINC000911823908 639837741 /nfs/dbraw/zinc/83/77/41/639837741.db2.gz AZBJGOGDMXXODW-RQJHMYQMSA-N 2 2 223.267 0.068 20 0 BCADLP CC(C)[C@H]([NH3+])CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000911826182 639837827 /nfs/dbraw/zinc/83/78/27/639837827.db2.gz LTMWSCVYIFPMDI-MWLCHTKSSA-N 2 2 238.335 0.688 20 0 BCADLP CC(C)[C@H]([NH3+])CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000911826182 639837831 /nfs/dbraw/zinc/83/78/31/639837831.db2.gz LTMWSCVYIFPMDI-MWLCHTKSSA-N 2 2 238.335 0.688 20 0 BCADLP CC(C)[C@@H]([NH3+])CNC(=O)Cc1[nH]cc[nH+]1 ZINC000911827594 639839605 /nfs/dbraw/zinc/83/96/05/639839605.db2.gz VLSXSIZETVZIQX-QMMMGPOBSA-N 2 2 210.281 0.052 20 0 BCADLP CC(C)[C@](C)(C[NH3+])NC(=O)Cc1[nH]cc[nH+]1 ZINC000911832854 639844222 /nfs/dbraw/zinc/84/42/22/639844222.db2.gz OKRAPODBZABSCR-NSHDSACASA-N 2 2 224.308 0.442 20 0 BCADLP CC(C)[C@@](C)(C[NH3+])NC(=O)Cc1[nH]cc[nH+]1 ZINC000911832853 639844433 /nfs/dbraw/zinc/84/44/33/639844433.db2.gz OKRAPODBZABSCR-LLVKDONJSA-N 2 2 224.308 0.442 20 0 BCADLP [NH3+]C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000911835945 639846995 /nfs/dbraw/zinc/84/69/95/639846995.db2.gz WNHSTRUSGNZJDL-ZYHUDNBSSA-N 2 2 248.330 0.299 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC000911818659 639850825 /nfs/dbraw/zinc/85/08/25/639850825.db2.gz AORTWOQPBCNFCY-XHNCKOQMSA-N 2 2 249.305 0.555 20 0 BCADLP [NH3+][C@@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C(F)F ZINC000911857407 639859714 /nfs/dbraw/zinc/85/97/14/639859714.db2.gz VOEFZDREOMZAPZ-VGMNWLOBSA-N 2 2 247.289 0.322 20 0 BCADLP C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1c[nH+]cn1C ZINC000931046879 640040274 /nfs/dbraw/zinc/04/02/74/640040274.db2.gz WUGIZECMADPXBB-JQWIXIFHSA-N 2 2 222.336 0.945 20 0 BCADLP Cn1[nH]c(=O)c2c1C[N@H+](CCn1cc[nH+]c1)CC2 ZINC000931194806 640099339 /nfs/dbraw/zinc/09/93/39/640099339.db2.gz NQLLHZHEZRBMDY-UHFFFAOYSA-N 2 2 247.302 0.381 20 0 BCADLP Cn1[nH]c(=O)c2c1C[N@@H+](CCn1cc[nH+]c1)CC2 ZINC000931194806 640099345 /nfs/dbraw/zinc/09/93/45/640099345.db2.gz NQLLHZHEZRBMDY-UHFFFAOYSA-N 2 2 247.302 0.381 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@](C)(O)C(F)F)C[C@H]21 ZINC000931275839 640124922 /nfs/dbraw/zinc/12/49/22/640124922.db2.gz ALNZMQLSGBQURB-UYAYMFIHSA-N 2 2 234.290 0.494 20 0 BCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@](C)(O)C(F)F)C[C@H]21 ZINC000931275839 640124931 /nfs/dbraw/zinc/12/49/31/640124931.db2.gz ALNZMQLSGBQURB-UYAYMFIHSA-N 2 2 234.290 0.494 20 0 BCADLP CCOC(=O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278367 640129784 /nfs/dbraw/zinc/12/97/84/640129784.db2.gz AGVNVGGTFLBWKE-PJXYFTJBSA-N 2 2 240.347 0.822 20 0 BCADLP CCOC(=O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278367 640129839 /nfs/dbraw/zinc/12/98/39/640129839.db2.gz AGVNVGGTFLBWKE-PJXYFTJBSA-N 2 2 240.347 0.822 20 0 BCADLP CC(=O)NCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280586 640134208 /nfs/dbraw/zinc/13/42/08/640134208.db2.gz OUHFZVLBKUOEOX-GDNZZTSVSA-N 2 2 225.336 0.004 20 0 BCADLP CC(=O)NCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280586 640134202 /nfs/dbraw/zinc/13/42/02/640134202.db2.gz OUHFZVLBKUOEOX-GDNZZTSVSA-N 2 2 225.336 0.004 20 0 BCADLP C[NH+]1C[C@]2(C)C[NH+](CCn3cncn3)C[C@@]2(C)C1 ZINC000931305125 640142690 /nfs/dbraw/zinc/14/26/90/640142690.db2.gz AUHYNJXLOCZQLC-CHWSQXEVSA-N 2 2 249.362 0.552 20 0 BCADLP C[NH+](C)C1(C)CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000931355088 640167824 /nfs/dbraw/zinc/16/78/24/640167824.db2.gz OLQUDYBMMRCFIX-NSHDSACASA-N 2 2 239.363 0.681 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](CC[S@@](C)=O)C[C@@H]2C1 ZINC000931439375 640207421 /nfs/dbraw/zinc/20/74/21/640207421.db2.gz VGDZMNIUOSLLSZ-JRPNMDOOSA-N 2 2 230.377 0.248 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](CC[S@@](C)=O)C[C@@H]2C1 ZINC000931439375 640207427 /nfs/dbraw/zinc/20/74/27/640207427.db2.gz VGDZMNIUOSLLSZ-JRPNMDOOSA-N 2 2 230.377 0.248 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](CC[S@@](C)=O)C[C@@H]2C1 ZINC000931439375 640207428 /nfs/dbraw/zinc/20/74/28/640207428.db2.gz VGDZMNIUOSLLSZ-JRPNMDOOSA-N 2 2 230.377 0.248 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](CC[S@@](C)=O)C[C@@H]2C1 ZINC000931439375 640207429 /nfs/dbraw/zinc/20/74/29/640207429.db2.gz VGDZMNIUOSLLSZ-JRPNMDOOSA-N 2 2 230.377 0.248 20 0 BCADLP Nc1cc[nH+]c2c1C[N@H+](CCCO)CC2 ZINC000931509390 640240042 /nfs/dbraw/zinc/24/00/42/640240042.db2.gz QOWYZTOWYSPHPS-UHFFFAOYSA-N 2 2 207.277 0.404 20 0 BCADLP Nc1cc[nH+]c2c1C[N@@H+](CCCO)CC2 ZINC000931509390 640240052 /nfs/dbraw/zinc/24/00/52/640240052.db2.gz QOWYZTOWYSPHPS-UHFFFAOYSA-N 2 2 207.277 0.404 20 0 BCADLP Nc1cc[nH+]c2c1C[N@H+](CCc1cn[nH]c1)CC2 ZINC000931517011 640247395 /nfs/dbraw/zinc/24/73/95/640247395.db2.gz CQYRACOGVNWRGF-UHFFFAOYSA-N 2 2 243.314 0.988 20 0 BCADLP Nc1cc[nH+]c2c1C[N@@H+](CCc1cn[nH]c1)CC2 ZINC000931517011 640247399 /nfs/dbraw/zinc/24/73/99/640247399.db2.gz CQYRACOGVNWRGF-UHFFFAOYSA-N 2 2 243.314 0.988 20 0 BCADLP Cc1[nH+]ccn1CCN1CCn2cc[nH+]c21 ZINC000931523311 640255635 /nfs/dbraw/zinc/25/56/35/640255635.db2.gz YWJQUOZXDPJRAG-UHFFFAOYSA-N 2 2 217.276 0.908 20 0 BCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H]1COCCO1 ZINC000931719307 640336013 /nfs/dbraw/zinc/33/60/13/640336013.db2.gz JIFDCWJWEHJQMO-XQQFMLRXSA-N 2 2 240.347 0.570 20 0 BCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H]1COCCO1 ZINC000931719307 640336015 /nfs/dbraw/zinc/33/60/15/640336015.db2.gz JIFDCWJWEHJQMO-XQQFMLRXSA-N 2 2 240.347 0.570 20 0 BCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H]1COCCO1 ZINC000931719307 640336017 /nfs/dbraw/zinc/33/60/17/640336017.db2.gz JIFDCWJWEHJQMO-XQQFMLRXSA-N 2 2 240.347 0.570 20 0 BCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H]1COCCO1 ZINC000931719307 640336023 /nfs/dbraw/zinc/33/60/23/640336023.db2.gz JIFDCWJWEHJQMO-XQQFMLRXSA-N 2 2 240.347 0.570 20 0 BCADLP CCOC(=O)[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000044518068 640399316 /nfs/dbraw/zinc/39/93/16/640399316.db2.gz OXHCDQSCPHNRHQ-SNVBAGLBSA-N 2 2 228.336 0.869 20 0 BCADLP COC(=O)[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000044518059 640399739 /nfs/dbraw/zinc/39/97/39/640399739.db2.gz BBCMHFFEDSREQK-VIFPVBQESA-N 2 2 214.309 0.479 20 0 BCADLP CC[C@@H]1C(=O)NCCC[N@H+]1CCn1cc[nH+]c1 ZINC000933215716 640682624 /nfs/dbraw/zinc/68/26/24/640682624.db2.gz AJILUQUZSAGZHT-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP CC[C@@H]1C(=O)NCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000933215716 640682627 /nfs/dbraw/zinc/68/26/27/640682627.db2.gz AJILUQUZSAGZHT-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP C[C@H]1CC[NH2+][C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000167367199 640713622 /nfs/dbraw/zinc/71/36/22/640713622.db2.gz ZOPBNIUPCFITLP-QWRGUYRKSA-N 2 2 225.336 0.149 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933741432 640758028 /nfs/dbraw/zinc/75/80/28/640758028.db2.gz AGQMGLQDFNPZFA-JBLDHEPKSA-N 2 2 225.336 0.134 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933741432 640758031 /nfs/dbraw/zinc/75/80/31/640758031.db2.gz AGQMGLQDFNPZFA-JBLDHEPKSA-N 2 2 225.336 0.134 20 0 BCADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933741432 640758036 /nfs/dbraw/zinc/75/80/36/640758036.db2.gz AGQMGLQDFNPZFA-JBLDHEPKSA-N 2 2 225.336 0.134 20 0 BCADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933741432 640758040 /nfs/dbraw/zinc/75/80/40/640758040.db2.gz AGQMGLQDFNPZFA-JBLDHEPKSA-N 2 2 225.336 0.134 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933748154 640763281 /nfs/dbraw/zinc/76/32/81/640763281.db2.gz QIXCTZYSJCWGKY-GMXVVIOVSA-N 2 2 239.363 0.347 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933748154 640763286 /nfs/dbraw/zinc/76/32/86/640763286.db2.gz QIXCTZYSJCWGKY-GMXVVIOVSA-N 2 2 239.363 0.347 20 0 BCADLP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933748154 640763292 /nfs/dbraw/zinc/76/32/92/640763292.db2.gz QIXCTZYSJCWGKY-GMXVVIOVSA-N 2 2 239.363 0.347 20 0 BCADLP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933748154 640763297 /nfs/dbraw/zinc/76/32/97/640763297.db2.gz QIXCTZYSJCWGKY-GMXVVIOVSA-N 2 2 239.363 0.347 20 0 BCADLP CC[N@H+](CCC(=O)NC)CCc1c[nH+]cn1C ZINC000933860326 640773154 /nfs/dbraw/zinc/77/31/54/640773154.db2.gz SIMPIZVZGVIFAV-UHFFFAOYSA-N 2 2 238.335 0.421 20 0 BCADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](CC)C2)CC[N@@H+]1C ZINC001030340379 640773191 /nfs/dbraw/zinc/77/31/91/640773191.db2.gz QDAKTWDLNPPPIC-NWDGAFQWSA-N 2 2 239.363 0.537 20 0 BCADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](CC)C2)CC[N@H+]1C ZINC001030340379 640773196 /nfs/dbraw/zinc/77/31/96/640773196.db2.gz QDAKTWDLNPPPIC-NWDGAFQWSA-N 2 2 239.363 0.537 20 0 BCADLP CC[N@@H+](CCC(=O)NC)CCc1c[nH+]cn1C ZINC000933860326 640773161 /nfs/dbraw/zinc/77/31/61/640773161.db2.gz SIMPIZVZGVIFAV-UHFFFAOYSA-N 2 2 238.335 0.421 20 0 BCADLP COCC[N@H+](C)CCNC(=[NH2+])NCC(C)C ZINC000061399627 640959096 /nfs/dbraw/zinc/95/90/96/640959096.db2.gz SZFPCXRPHLWBHC-UHFFFAOYSA-N 2 2 230.356 0.335 20 0 BCADLP COCC[N@@H+](C)CCNC(=[NH2+])NCC(C)C ZINC000061399627 640959102 /nfs/dbraw/zinc/95/91/02/640959102.db2.gz SZFPCXRPHLWBHC-UHFFFAOYSA-N 2 2 230.356 0.335 20 0 BCADLP C[C@@H](C[NH2+]CCS(C)(=O)=O)C[NH+]1CCCC1 ZINC000062071074 641019753 /nfs/dbraw/zinc/01/97/53/641019753.db2.gz OMYSMHUUHMQJMT-NSHDSACASA-N 2 2 248.392 0.353 20 0 BCADLP CNC(=O)[C@@]1(C)CC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000230921558 641114045 /nfs/dbraw/zinc/11/40/45/641114045.db2.gz IFGGLHIVSUUUMW-ZDUSSCGKSA-N 2 2 241.379 0.833 20 0 BCADLP CNC(=O)[C@@]1(C)CC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000230921558 641114049 /nfs/dbraw/zinc/11/40/49/641114049.db2.gz IFGGLHIVSUUUMW-ZDUSSCGKSA-N 2 2 241.379 0.833 20 0 BCADLP C([C@@H]1C[C@@H]2COC[C@@H]2O1)[N@@H+]1CCC[NH2+]CC1 ZINC000675080158 641342056 /nfs/dbraw/zinc/34/20/56/641342056.db2.gz NPDWVIUINJRRPW-WOPDTQHZSA-N 2 2 226.320 0.086 20 0 BCADLP C([C@@H]1C[C@@H]2COC[C@@H]2O1)[N@H+]1CCC[NH2+]CC1 ZINC000675080158 641342058 /nfs/dbraw/zinc/34/20/58/641342058.db2.gz NPDWVIUINJRRPW-WOPDTQHZSA-N 2 2 226.320 0.086 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)CCCc1c[nH+]cn1C ZINC000314862721 641580070 /nfs/dbraw/zinc/58/00/70/641580070.db2.gz JNDIPIDBZDJOLJ-JTQLQIEISA-N 3 2 210.325 0.632 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000314862721 641580077 /nfs/dbraw/zinc/58/00/77/641580077.db2.gz JNDIPIDBZDJOLJ-JTQLQIEISA-N 3 2 210.325 0.632 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H](O)CC(F)(F)F ZINC000307945611 642352114 /nfs/dbraw/zinc/35/21/14/642352114.db2.gz ZXWOISRTPKMFGM-BQBZGAKWSA-N 2 2 214.231 0.579 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H](O)CC(F)(F)F ZINC000307945611 642352119 /nfs/dbraw/zinc/35/21/19/642352119.db2.gz ZXWOISRTPKMFGM-BQBZGAKWSA-N 2 2 214.231 0.579 20 0 BCADLP CC[NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000962891166 642736416 /nfs/dbraw/zinc/73/64/16/642736416.db2.gz ASHWNTRWNWBBHQ-UHFFFAOYSA-N 2 2 236.319 0.387 20 0 BCADLP CCOC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C[NH2+]C ZINC000068953566 642815036 /nfs/dbraw/zinc/81/50/36/642815036.db2.gz KHXBSQSOYTZLQR-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP CCOC[C@@H](O)C[N@H+]1CCCC[C@@H]1C[NH2+]C ZINC000068953566 642815037 /nfs/dbraw/zinc/81/50/37/642815037.db2.gz KHXBSQSOYTZLQR-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016001102 642942299 /nfs/dbraw/zinc/94/22/99/642942299.db2.gz IDHASCZCUYCUNK-SNVBAGLBSA-N 2 2 236.319 0.173 20 0 BCADLP CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016001102 642942303 /nfs/dbraw/zinc/94/23/03/642942303.db2.gz IDHASCZCUYCUNK-SNVBAGLBSA-N 2 2 236.319 0.173 20 0 BCADLP CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001016113345 642947592 /nfs/dbraw/zinc/94/75/92/642947592.db2.gz IXDSIFWPYMGLSK-SNVBAGLBSA-N 2 2 236.319 0.471 20 0 BCADLP CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001016113345 642947597 /nfs/dbraw/zinc/94/75/97/642947597.db2.gz IXDSIFWPYMGLSK-SNVBAGLBSA-N 2 2 236.319 0.471 20 0 BCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001016250468 642951235 /nfs/dbraw/zinc/95/12/35/642951235.db2.gz CPIREDNJRMEXMZ-LLVKDONJSA-N 2 2 243.326 0.242 20 0 BCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCF)C1 ZINC001016250468 642951249 /nfs/dbraw/zinc/95/12/49/642951249.db2.gz CPIREDNJRMEXMZ-LLVKDONJSA-N 2 2 243.326 0.242 20 0 BCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001020636661 643248060 /nfs/dbraw/zinc/24/80/60/643248060.db2.gz CDYJQRJXDHEWBK-KYZUINATSA-N 2 2 240.282 0.159 20 0 BCADLP CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000970103006 643294769 /nfs/dbraw/zinc/29/47/69/643294769.db2.gz KDWQNWXSKUFIMU-SECBINFHSA-N 2 2 222.292 0.163 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]CC2CC2)C1 ZINC001020817709 643301633 /nfs/dbraw/zinc/30/16/33/643301633.db2.gz YVMRMMNENWSEAJ-XYPYZODXSA-N 2 2 248.330 0.599 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000082681392 643367306 /nfs/dbraw/zinc/36/73/06/643367306.db2.gz VSCJZAMNIHYDEM-SFYZADRCSA-N 2 2 226.242 0.451 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000082681392 643367309 /nfs/dbraw/zinc/36/73/09/643367309.db2.gz VSCJZAMNIHYDEM-SFYZADRCSA-N 2 2 226.242 0.451 20 0 BCADLP [NH3+][C@H](CC1CC1)C(=O)NCCCn1cc[nH+]c1 ZINC000083363869 643440050 /nfs/dbraw/zinc/44/00/50/643440050.db2.gz QMLJFUNJWIVTNM-LLVKDONJSA-N 2 2 236.319 0.517 20 0 BCADLP CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000970482693 643442353 /nfs/dbraw/zinc/44/23/53/643442353.db2.gz YJPWBERZKBPNNU-SNVBAGLBSA-N 2 2 236.319 0.173 20 0 BCADLP C[C@H](C[NH2+]Cc1cc[nH]c(=O)c1)[NH+](C)C ZINC000921685922 643738903 /nfs/dbraw/zinc/73/89/03/643738903.db2.gz CCMHRXWVXIRPQA-SECBINFHSA-N 2 2 209.293 0.827 20 0 BCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC000922157895 643879036 /nfs/dbraw/zinc/87/90/36/643879036.db2.gz HEXASSHZGODZBY-SNVBAGLBSA-N 2 2 236.319 0.471 20 0 BCADLP CC[N@H+]1CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC000922157895 643879040 /nfs/dbraw/zinc/87/90/40/643879040.db2.gz HEXASSHZGODZBY-SNVBAGLBSA-N 2 2 236.319 0.471 20 0 BCADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCN1C ZINC000922575504 644029617 /nfs/dbraw/zinc/02/96/17/644029617.db2.gz JNHGYQFPANGFTE-LBPRGKRZSA-N 2 2 234.347 0.941 20 0 BCADLP C[NH+]1CCC([NH2+]Cc2cncc(O)c2)CC1 ZINC000922977035 644211765 /nfs/dbraw/zinc/21/17/65/644211765.db2.gz MUEYTRODSKMOQJ-UHFFFAOYSA-N 2 2 221.304 0.971 20 0 BCADLP CC(C)COC[C@H](O)C[N@@H+]1CCC[NH2+]CC1 ZINC000923277327 644309345 /nfs/dbraw/zinc/30/93/45/644309345.db2.gz DROKYAQVTAJXJA-GFCCVEGCSA-N 2 2 230.352 0.315 20 0 BCADLP CC(C)COC[C@H](O)C[N@H+]1CCC[NH2+]CC1 ZINC000923277327 644309347 /nfs/dbraw/zinc/30/93/47/644309347.db2.gz DROKYAQVTAJXJA-GFCCVEGCSA-N 2 2 230.352 0.315 20 0 BCADLP CSC[C@H](O)C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000923280129 644310762 /nfs/dbraw/zinc/31/07/62/644310762.db2.gz DKCHNBPLZMAUPE-RKDXNWHRSA-N 2 2 204.339 0.133 20 0 BCADLP CSC[C@H](O)C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000923280129 644310767 /nfs/dbraw/zinc/31/07/67/644310767.db2.gz DKCHNBPLZMAUPE-RKDXNWHRSA-N 2 2 204.339 0.133 20 0 BCADLP CCOCCOCC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000923280186 644311373 /nfs/dbraw/zinc/31/13/73/644311373.db2.gz HQCDCEZJTLNLOR-LBPRGKRZSA-N 2 2 230.352 0.853 20 0 BCADLP CCOCCOCC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000923280186 644311377 /nfs/dbraw/zinc/31/13/77/644311377.db2.gz HQCDCEZJTLNLOR-LBPRGKRZSA-N 2 2 230.352 0.853 20 0 BCADLP CC(C)COC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000923280189 644312194 /nfs/dbraw/zinc/31/21/94/644312194.db2.gz HSVTZZSAUWGSQI-OLZOCXBDSA-N 2 2 244.379 0.833 20 0 BCADLP CC(C)COC[C@@H](O)C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000923280189 644312198 /nfs/dbraw/zinc/31/21/98/644312198.db2.gz HSVTZZSAUWGSQI-OLZOCXBDSA-N 2 2 244.379 0.833 20 0 BCADLP CC(C)OCC[C@H](O)C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000923282053 644314211 /nfs/dbraw/zinc/31/42/11/644314211.db2.gz UIRMGWBDGLXIBS-OLZOCXBDSA-N 2 2 244.379 0.976 20 0 BCADLP CC(C)OCC[C@H](O)C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000923282053 644314216 /nfs/dbraw/zinc/31/42/16/644314216.db2.gz UIRMGWBDGLXIBS-OLZOCXBDSA-N 2 2 244.379 0.976 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000923280972 644314304 /nfs/dbraw/zinc/31/43/04/644314304.db2.gz MOZUYBIPYFOTQP-NEPJUHHUSA-N 2 2 238.335 0.057 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000923280972 644314310 /nfs/dbraw/zinc/31/43/10/644314310.db2.gz MOZUYBIPYFOTQP-NEPJUHHUSA-N 2 2 238.335 0.057 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000923280974 644315944 /nfs/dbraw/zinc/31/59/44/644315944.db2.gz MOZUYBIPYFOTQP-NWDGAFQWSA-N 2 2 238.335 0.057 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000923280974 644315948 /nfs/dbraw/zinc/31/59/48/644315948.db2.gz MOZUYBIPYFOTQP-NWDGAFQWSA-N 2 2 238.335 0.057 20 0 BCADLP CCC[N@H+](C[C@H](O)CCOCC)[C@H]1CC[NH2+]C1 ZINC000923288105 644319521 /nfs/dbraw/zinc/31/95/21/644319521.db2.gz XKCMGZFMEZDJIV-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP CCC[N@@H+](C[C@H](O)CCOCC)[C@H]1CC[NH2+]C1 ZINC000923288105 644319527 /nfs/dbraw/zinc/31/95/27/644319527.db2.gz XKCMGZFMEZDJIV-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)C[C@H](O)COc1ccccc1 ZINC000923290889 644326972 /nfs/dbraw/zinc/32/69/72/644326972.db2.gz PBRBESUVPOHXQS-NEPJUHHUSA-N 2 2 238.331 0.705 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)C[C@H](O)COc1ccccc1 ZINC000923290889 644326974 /nfs/dbraw/zinc/32/69/74/644326974.db2.gz PBRBESUVPOHXQS-NEPJUHHUSA-N 2 2 238.331 0.705 20 0 BCADLP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H](O)C(F)(F)F ZINC000923295551 644331408 /nfs/dbraw/zinc/33/14/08/644331408.db2.gz CLCMOYONHGEHHT-YUMQZZPRSA-N 2 2 228.258 0.873 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H](O)COCC(C)C ZINC000923294585 644333563 /nfs/dbraw/zinc/33/35/63/644333563.db2.gz KDCDSMFVGVSYGD-QWHCGFSZSA-N 2 2 244.379 0.704 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H](O)COCC(C)C ZINC000923294585 644333567 /nfs/dbraw/zinc/33/35/67/644333567.db2.gz KDCDSMFVGVSYGD-QWHCGFSZSA-N 2 2 244.379 0.704 20 0 BCADLP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923321081 644348462 /nfs/dbraw/zinc/34/84/62/644348462.db2.gz JZUQGTODMOZERF-CYDGBPFRSA-N 3 2 241.379 0.111 20 0 BCADLP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923321081 644348467 /nfs/dbraw/zinc/34/84/67/644348467.db2.gz JZUQGTODMOZERF-CYDGBPFRSA-N 3 2 241.379 0.111 20 0 BCADLP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923321081 644348474 /nfs/dbraw/zinc/34/84/74/644348474.db2.gz JZUQGTODMOZERF-CYDGBPFRSA-N 3 2 241.379 0.111 20 0 BCADLP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923321081 644348477 /nfs/dbraw/zinc/34/84/77/644348477.db2.gz JZUQGTODMOZERF-CYDGBPFRSA-N 3 2 241.379 0.111 20 0 BCADLP CCOCCOCC[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000923367126 644379162 /nfs/dbraw/zinc/37/91/62/644379162.db2.gz SHBDTFUOBWAXPQ-WDEREUQCSA-N 2 2 216.325 0.319 20 0 BCADLP CCOCCOCC[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000923367126 644379170 /nfs/dbraw/zinc/37/91/70/644379170.db2.gz SHBDTFUOBWAXPQ-WDEREUQCSA-N 2 2 216.325 0.319 20 0 BCADLP [NH3+]CC(C[NH3+])NCC[C@@H]1CC1(Cl)Cl ZINC000923359500 644383042 /nfs/dbraw/zinc/38/30/42/644383042.db2.gz RVUCXNZSHOJVFW-ZCFIWIBFSA-N 2 2 226.151 0.446 20 0 BCADLP CCOCC[C@H](O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000923360536 644383938 /nfs/dbraw/zinc/38/39/38/644383938.db2.gz JLFBXRPLFGBEDW-WOPDTQHZSA-N 2 2 228.336 0.068 20 0 BCADLP CCOCC[C@H](O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000923360536 644383943 /nfs/dbraw/zinc/38/39/43/644383943.db2.gz JLFBXRPLFGBEDW-WOPDTQHZSA-N 2 2 228.336 0.068 20 0 BCADLP CCOCC[C@@H](O)C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923381742 644393797 /nfs/dbraw/zinc/39/37/97/644393797.db2.gz WGPKZLUMPUOKPR-OLZOCXBDSA-N 2 2 242.363 0.602 20 0 BCADLP CCOCC[C@@H](O)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923381742 644393801 /nfs/dbraw/zinc/39/38/01/644393801.db2.gz WGPKZLUMPUOKPR-OLZOCXBDSA-N 2 2 242.363 0.602 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923390906 644397424 /nfs/dbraw/zinc/39/74/24/644397424.db2.gz ZMWPCJKBGVTDNP-SRVKXCTJSA-N 3 2 238.335 0.056 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923390906 644397430 /nfs/dbraw/zinc/39/74/30/644397430.db2.gz ZMWPCJKBGVTDNP-SRVKXCTJSA-N 3 2 238.335 0.056 20 0 BCADLP CC(C)OCC[C@H](O)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000923392479 644398001 /nfs/dbraw/zinc/39/80/01/644398001.db2.gz WPOMTUJWTOORHL-CPCZMJQVSA-N 2 2 242.363 0.586 20 0 BCADLP CC(C)OCC[C@H](O)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000923392479 644398007 /nfs/dbraw/zinc/39/80/07/644398007.db2.gz WPOMTUJWTOORHL-CPCZMJQVSA-N 2 2 242.363 0.586 20 0 BCADLP FCCCN1CC[NH2+]CC[N@H+](CCCF)CC1 ZINC000923395223 644403003 /nfs/dbraw/zinc/40/30/03/644403003.db2.gz QKECWMBCRWMGOU-UHFFFAOYSA-N 2 2 249.349 0.913 20 0 BCADLP FCCCN1CC[NH2+]CC[N@@H+](CCCF)CC1 ZINC000923395223 644403006 /nfs/dbraw/zinc/40/30/06/644403006.db2.gz QKECWMBCRWMGOU-UHFFFAOYSA-N 2 2 249.349 0.913 20 0 BCADLP CC(C)OC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923400087 644406337 /nfs/dbraw/zinc/40/63/37/644406337.db2.gz UTCYSJUKWQDEEU-RYUDHWBXSA-N 2 2 242.363 0.647 20 0 BCADLP CSC[C@H](O)C[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000923414457 644416152 /nfs/dbraw/zinc/41/61/52/644416152.db2.gz WQQFWUAEHJBHRQ-DJLDLDEBSA-N 2 2 204.339 0.132 20 0 BCADLP CCOCCOCC[N@H+](C)C[C@@H](C)[NH3+] ZINC000923410306 644411625 /nfs/dbraw/zinc/41/16/25/644411625.db2.gz XGVKEEGJNLUQNE-SNVBAGLBSA-N 2 2 204.314 0.319 20 0 BCADLP CCOCCOCC[N@@H+](C)C[C@@H](C)[NH3+] ZINC000923410306 644411627 /nfs/dbraw/zinc/41/16/27/644411627.db2.gz XGVKEEGJNLUQNE-SNVBAGLBSA-N 2 2 204.314 0.319 20 0 BCADLP CSC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000923414458 644417538 /nfs/dbraw/zinc/41/75/38/644417538.db2.gz WQQFWUAEHJBHRQ-HRDYMLBCSA-N 2 2 204.339 0.132 20 0 BCADLP CSC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000923414457 644416146 /nfs/dbraw/zinc/41/61/46/644416146.db2.gz WQQFWUAEHJBHRQ-DJLDLDEBSA-N 2 2 204.339 0.132 20 0 BCADLP CSC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000923414458 644417535 /nfs/dbraw/zinc/41/75/35/644417535.db2.gz WQQFWUAEHJBHRQ-HRDYMLBCSA-N 2 2 204.339 0.132 20 0 BCADLP CC[N@H+](C[C@H](O)CCOC(C)C)[C@H]1CC[NH2+]C1 ZINC000923424167 644418775 /nfs/dbraw/zinc/41/87/75/644418775.db2.gz DIFNNGCXPLTTNA-QWHCGFSZSA-N 2 2 244.379 0.846 20 0 BCADLP CC[N@@H+](C[C@H](O)CCOC(C)C)[C@H]1CC[NH2+]C1 ZINC000923424167 644418776 /nfs/dbraw/zinc/41/87/76/644418776.db2.gz DIFNNGCXPLTTNA-QWHCGFSZSA-N 2 2 244.379 0.846 20 0 BCADLP c1ncc2c(n1)CC[N@@H+](CCC[NH2+]C1CC1)C2 ZINC000923424717 644419524 /nfs/dbraw/zinc/41/95/24/644419524.db2.gz BHOLWOOLDUVORU-UHFFFAOYSA-N 2 2 232.331 0.977 20 0 BCADLP c1ncc2c(n1)CC[N@H+](CCC[NH2+]C1CC1)C2 ZINC000923424717 644419528 /nfs/dbraw/zinc/41/95/28/644419528.db2.gz BHOLWOOLDUVORU-UHFFFAOYSA-N 2 2 232.331 0.977 20 0 BCADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@H](O)CSC ZINC000923429820 644421938 /nfs/dbraw/zinc/42/19/38/644421938.db2.gz FLPGAILYMWFYHA-QWRGUYRKSA-N 2 2 232.393 0.784 20 0 BCADLP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@H](O)CSC ZINC000923429820 644421949 /nfs/dbraw/zinc/42/19/49/644421949.db2.gz FLPGAILYMWFYHA-QWRGUYRKSA-N 2 2 232.393 0.784 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000923430556 644424957 /nfs/dbraw/zinc/42/49/57/644424957.db2.gz NBRRFGWKNPPOOX-VXGBXAGGSA-N 2 2 244.379 0.832 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000923430556 644424960 /nfs/dbraw/zinc/42/49/60/644424960.db2.gz NBRRFGWKNPPOOX-VXGBXAGGSA-N 2 2 244.379 0.832 20 0 BCADLP CC(C)COC[C@@H](O)C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000923432802 644426469 /nfs/dbraw/zinc/42/64/69/644426469.db2.gz PWSHSTROBVLHLT-RYUDHWBXSA-N 2 2 244.379 0.689 20 0 BCADLP CC(C)COC[C@@H](O)C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000923432802 644426471 /nfs/dbraw/zinc/42/64/71/644426471.db2.gz PWSHSTROBVLHLT-RYUDHWBXSA-N 2 2 244.379 0.689 20 0 BCADLP CCOCC[C@H](O)C[N@H+](CC[NH2+]C)C(C)C ZINC000923432924 644426537 /nfs/dbraw/zinc/42/65/37/644426537.db2.gz LIIYKQVQBLDHGW-LBPRGKRZSA-N 2 2 232.368 0.704 20 0 BCADLP CCOCC[C@H](O)C[N@@H+](CC[NH2+]C)C(C)C ZINC000923432924 644426539 /nfs/dbraw/zinc/42/65/39/644426539.db2.gz LIIYKQVQBLDHGW-LBPRGKRZSA-N 2 2 232.368 0.704 20 0 BCADLP CC(C)=CCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923460437 644438472 /nfs/dbraw/zinc/43/84/72/644438472.db2.gz NUBPKCBJJROCFG-UHFFFAOYSA-N 2 2 211.353 0.838 20 0 BCADLP c1csc(CCN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923461710 644445235 /nfs/dbraw/zinc/44/52/35/644445235.db2.gz SJXIYRXCGBRMGQ-UHFFFAOYSA-N 2 2 239.388 0.785 20 0 BCADLP [NH3+][C@@]1(CO)CCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000923470813 644448992 /nfs/dbraw/zinc/44/89/92/644448992.db2.gz BMNPWDULVIMRIJ-NEPJUHHUSA-N 2 2 228.336 0.341 20 0 BCADLP [NH3+][C@@]1(CO)CCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000923470813 644448995 /nfs/dbraw/zinc/44/89/95/644448995.db2.gz BMNPWDULVIMRIJ-NEPJUHHUSA-N 2 2 228.336 0.341 20 0 BCADLP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@]([NH3+])(CO)C2)O1 ZINC000923473868 644451003 /nfs/dbraw/zinc/45/10/03/644451003.db2.gz OMZHZOWQCVJLBZ-UTUOFQBUSA-N 2 2 228.336 0.340 20 0 BCADLP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@]([NH3+])(CO)C2)O1 ZINC000923473868 644451010 /nfs/dbraw/zinc/45/10/10/644451010.db2.gz OMZHZOWQCVJLBZ-UTUOFQBUSA-N 2 2 228.336 0.340 20 0 BCADLP C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@]([NH3+])(CO)C2)O1 ZINC000923473869 644451655 /nfs/dbraw/zinc/45/16/55/644451655.db2.gz OMZHZOWQCVJLBZ-WOPDTQHZSA-N 2 2 228.336 0.340 20 0 BCADLP C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@@]([NH3+])(CO)C2)O1 ZINC000923473869 644451660 /nfs/dbraw/zinc/45/16/60/644451660.db2.gz OMZHZOWQCVJLBZ-WOPDTQHZSA-N 2 2 228.336 0.340 20 0 BCADLP CCO[C@H](C[N@@H+]1CCC[C@@]([NH3+])(CO)C1)C1CC1 ZINC000923475193 644454453 /nfs/dbraw/zinc/45/44/53/644454453.db2.gz OJVZODFKUYOPJF-OLZOCXBDSA-N 2 2 242.363 0.587 20 0 BCADLP CCO[C@H](C[N@H+]1CCC[C@@]([NH3+])(CO)C1)C1CC1 ZINC000923475193 644454462 /nfs/dbraw/zinc/45/44/62/644454462.db2.gz OJVZODFKUYOPJF-OLZOCXBDSA-N 2 2 242.363 0.587 20 0 BCADLP CCSCC[N@@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923477283 644455685 /nfs/dbraw/zinc/45/56/85/644455685.db2.gz ORXYFSRSMFFYFX-JTQLQIEISA-N 2 2 218.366 0.525 20 0 BCADLP CCSCC[N@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923477283 644455690 /nfs/dbraw/zinc/45/56/90/644455690.db2.gz ORXYFSRSMFFYFX-JTQLQIEISA-N 2 2 218.366 0.525 20 0 BCADLP Cc1c[nH]nc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515993 644479167 /nfs/dbraw/zinc/47/91/67/644479167.db2.gz PXIXQYJSCUVPGV-WDEREUQCSA-N 2 2 220.320 0.759 20 0 BCADLP Cc1c[nH]nc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515993 644479170 /nfs/dbraw/zinc/47/91/70/644479170.db2.gz PXIXQYJSCUVPGV-WDEREUQCSA-N 2 2 220.320 0.759 20 0 BCADLP CCCOC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923516138 644479760 /nfs/dbraw/zinc/47/97/60/644479760.db2.gz WQLPNAOCUWWCOC-GMTAPVOTSA-N 2 2 228.336 0.855 20 0 BCADLP CCCOC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923516138 644479761 /nfs/dbraw/zinc/47/97/61/644479761.db2.gz WQLPNAOCUWWCOC-GMTAPVOTSA-N 2 2 228.336 0.855 20 0 BCADLP NC(=O)C12CCC(CC1)[N@@H+]2CCC[NH2+]C1CC1 ZINC000923529308 644484989 /nfs/dbraw/zinc/48/49/89/644484989.db2.gz CNVCQXGKRUQTMW-UHFFFAOYSA-N 2 2 237.347 0.611 20 0 BCADLP NC(=O)C12CCC(CC1)[N@H+]2CCC[NH2+]C1CC1 ZINC000923529308 644484994 /nfs/dbraw/zinc/48/49/94/644484994.db2.gz CNVCQXGKRUQTMW-UHFFFAOYSA-N 2 2 237.347 0.611 20 0 BCADLP C[NH2+]CCC[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000923553580 644495459 /nfs/dbraw/zinc/49/54/59/644495459.db2.gz KUAOICUPBRTVDE-UHFFFAOYSA-N 2 2 209.293 0.829 20 0 BCADLP C[NH2+]CCC[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000923553580 644495463 /nfs/dbraw/zinc/49/54/63/644495463.db2.gz KUAOICUPBRTVDE-UHFFFAOYSA-N 2 2 209.293 0.829 20 0 BCADLP O[C@H](C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)C(F)(F)F ZINC000304595729 644913845 /nfs/dbraw/zinc/91/38/45/644913845.db2.gz UVZSZUBOPKGTMG-BDAKNGLRSA-N 2 2 238.253 0.595 20 0 BCADLP O[C@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)C(F)(F)F ZINC000304595729 644913856 /nfs/dbraw/zinc/91/38/56/644913856.db2.gz UVZSZUBOPKGTMG-BDAKNGLRSA-N 2 2 238.253 0.595 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000253107116 644936792 /nfs/dbraw/zinc/93/67/92/644936792.db2.gz VCQBHAIJSWOVHT-WYUUTHIRSA-N 2 2 242.363 0.502 20 0 BCADLP C[N@H+](CC1C[NH+](C)C1)C[C@@H]1CCCOC1 ZINC000827125695 645074147 /nfs/dbraw/zinc/07/41/47/645074147.db2.gz OVMULIMWAHOGQI-NSHDSACASA-N 2 2 212.337 0.906 20 0 BCADLP C[N@@H+](CC1C[NH+](C)C1)C[C@@H]1CCCOC1 ZINC000827125695 645074151 /nfs/dbraw/zinc/07/41/51/645074151.db2.gz OVMULIMWAHOGQI-NSHDSACASA-N 2 2 212.337 0.906 20 0 BCADLP C[C@@]1(C[N@@H+]2CCC3(C2)OCCO3)CC[NH2+]C1 ZINC000843060543 645256302 /nfs/dbraw/zinc/25/63/02/645256302.db2.gz YXFXPCPRIDIPPK-LLVKDONJSA-N 2 2 226.320 0.435 20 0 BCADLP C[C@@]1(C[N@H+]2CCC3(C2)OCCO3)CC[NH2+]C1 ZINC000843060543 645256305 /nfs/dbraw/zinc/25/63/05/645256305.db2.gz YXFXPCPRIDIPPK-LLVKDONJSA-N 2 2 226.320 0.435 20 0 BCADLP CC[NH2+]CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000844186343 645317436 /nfs/dbraw/zinc/31/74/36/645317436.db2.gz FUGNBJZZWBUWMI-UHFFFAOYSA-N 2 2 232.287 0.560 20 0 BCADLP C[C@@H](CCO)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927105544 645548493 /nfs/dbraw/zinc/54/84/93/645548493.db2.gz SIDMGJPLIPHCHY-AAEUAGOBSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H](CCO)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927105544 645548499 /nfs/dbraw/zinc/54/84/99/645548499.db2.gz SIDMGJPLIPHCHY-AAEUAGOBSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+]1C ZINC000928430498 645747056 /nfs/dbraw/zinc/74/70/56/645747056.db2.gz XTVHPTWWEXUBIV-ZDCRXTMVSA-N 2 2 248.330 0.722 20 0 BCADLP C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+]1C ZINC000928430498 645747058 /nfs/dbraw/zinc/74/70/58/645747058.db2.gz XTVHPTWWEXUBIV-ZDCRXTMVSA-N 2 2 248.330 0.722 20 0 BCADLP C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000928430498 645747060 /nfs/dbraw/zinc/74/70/60/645747060.db2.gz XTVHPTWWEXUBIV-ZDCRXTMVSA-N 2 2 248.330 0.722 20 0 BCADLP C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@H+]1C ZINC000928430498 645747062 /nfs/dbraw/zinc/74/70/62/645747062.db2.gz XTVHPTWWEXUBIV-ZDCRXTMVSA-N 2 2 248.330 0.722 20 0 BCADLP C[C@H]1[C@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1C ZINC000928445770 645767483 /nfs/dbraw/zinc/76/74/83/645767483.db2.gz FFONAKCXGNJJKN-WDEREUQCSA-N 2 2 236.319 0.482 20 0 BCADLP C[C@H]1[C@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1C ZINC000928445770 645767487 /nfs/dbraw/zinc/76/74/87/645767487.db2.gz FFONAKCXGNJJKN-WDEREUQCSA-N 2 2 236.319 0.482 20 0 BCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@H+]1C ZINC000928550430 645803077 /nfs/dbraw/zinc/80/30/77/645803077.db2.gz VWGSEHJGOCUMQE-SNVBAGLBSA-N 2 2 222.292 0.012 20 0 BCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@@H+]1C ZINC000928550430 645803085 /nfs/dbraw/zinc/80/30/85/645803085.db2.gz VWGSEHJGOCUMQE-SNVBAGLBSA-N 2 2 222.292 0.012 20 0 BCADLP C[N@@H+]1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000928562926 645822087 /nfs/dbraw/zinc/82/20/87/645822087.db2.gz LUHRTSQHACHSMV-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP C[N@H+]1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000928562926 645822092 /nfs/dbraw/zinc/82/20/92/645822092.db2.gz LUHRTSQHACHSMV-NSHDSACASA-N 2 2 236.319 0.484 20 0 BCADLP C[NH+](C)C1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000929260156 646043073 /nfs/dbraw/zinc/04/30/73/646043073.db2.gz BIICPZXAAVNRCG-GFCCVEGCSA-N 2 2 228.336 0.428 20 0 BCADLP CCc1ncc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000929311378 646072674 /nfs/dbraw/zinc/07/26/74/646072674.db2.gz CKECUZNZWPCMND-NXEZZACHSA-N 2 2 221.304 0.888 20 0 BCADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cnnn1C ZINC000924650860 646086078 /nfs/dbraw/zinc/08/60/78/646086078.db2.gz ZFNBTEDKYPNBEF-VHSXEESVSA-N 2 2 234.307 0.751 20 0 BCADLP CC(C)[C@@H](CO)[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000925228537 646216370 /nfs/dbraw/zinc/21/63/70/646216370.db2.gz PAGDCGIIEPHEHK-QJPTWQEYSA-N 2 2 212.337 0.687 20 0 BCADLP CC(C)[C@@H](CO)[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000925228537 646216374 /nfs/dbraw/zinc/21/63/74/646216374.db2.gz PAGDCGIIEPHEHK-QJPTWQEYSA-N 2 2 212.337 0.687 20 0 BCADLP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H]1COCCO1 ZINC000925484068 646295053 /nfs/dbraw/zinc/29/50/53/646295053.db2.gz BTDKMQMGLRFWGR-MNOVXSKESA-N 2 2 226.320 0.276 20 0 BCADLP C([NH2+][C@H]1C[NH2+]CCOC1)C1CCSCC1 ZINC000925485159 646297294 /nfs/dbraw/zinc/29/72/94/646297294.db2.gz BNGLNOJIOGLJBM-NSHDSACASA-N 2 2 230.377 0.708 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000925520770 646312654 /nfs/dbraw/zinc/31/26/54/646312654.db2.gz YBOFSZWOFWEKHD-ZMLRMANQSA-N 2 2 238.335 0.184 20 0 BCADLP CC1(C)[C@H]([NH2+][C@@H]2C[NH2+]CCOC2)[C@H]2CCO[C@H]21 ZINC000925521224 646315477 /nfs/dbraw/zinc/31/54/77/646315477.db2.gz JCHZVYNNBILBFG-DDHJBXDOSA-N 2 2 240.347 0.378 20 0 BCADLP CSC(C)(C)C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925529171 646316610 /nfs/dbraw/zinc/31/66/10/646316610.db2.gz ZJRUPLWVRPJSMR-VIFPVBQESA-N 2 2 218.366 0.706 20 0 BCADLP C(C[C@H]1CCCO1)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925536420 646322951 /nfs/dbraw/zinc/32/29/51/646322951.db2.gz OXSPQXJKIIFIHV-GHMZBOCLSA-N 2 2 214.309 0.134 20 0 BCADLP CC[C@H](C)[C@@H](C)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925564066 646336153 /nfs/dbraw/zinc/33/61/53/646336153.db2.gz QURHRDGONHAUEL-AXFHLTTASA-N 2 2 200.326 0.999 20 0 BCADLP CCC(=O)N1CC[C@@H]([NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC000925561609 646336601 /nfs/dbraw/zinc/33/66/01/646336601.db2.gz RAEIMMKBQDDUKM-MNOVXSKESA-N 2 2 239.363 0.727 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CCOC[C@@H]1CCOC1 ZINC000925568961 646338048 /nfs/dbraw/zinc/33/80/48/646338048.db2.gz YYVPBJWBYGAAGR-VXGBXAGGSA-N 2 2 242.363 0.770 20 0 BCADLP C[C@@H]1C[C@@H](C[NH2+][C@H]2C[NH2+]CCOC2)CCO1 ZINC000925613489 646362361 /nfs/dbraw/zinc/36/23/61/646362361.db2.gz DNVSYNCQNRVYHF-WOPDTQHZSA-N 2 2 228.336 0.380 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000925616081 646364834 /nfs/dbraw/zinc/36/48/34/646364834.db2.gz QJCXQJDMDPTWOG-DLOVCJGASA-N 2 2 234.347 0.997 20 0 BCADLP C1COCC[C@@H]([NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925636446 646371384 /nfs/dbraw/zinc/37/13/84/646371384.db2.gz SMASLAVHAIMXDM-WDEREUQCSA-N 2 2 214.309 0.134 20 0 BCADLP COC[C@@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)OC ZINC000925633415 646378160 /nfs/dbraw/zinc/37/81/60/646378160.db2.gz VZGIJTGJCIPNAY-ZJUUUORDSA-N 2 2 216.325 0.378 20 0 BCADLP OC[C@@H](CC(F)F)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925651623 646391744 /nfs/dbraw/zinc/39/17/44/646391744.db2.gz HOKWBHYKYSJBCP-RKDXNWHRSA-N 2 2 234.290 0.877 20 0 BCADLP COC[C@H](O)C[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925668780 646400274 /nfs/dbraw/zinc/40/02/74/646400274.db2.gz ZWHBTHIWHYZRLQ-UHTWSYAYSA-N 2 2 238.331 0.672 20 0 BCADLP Cn1ncc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925670050 646401131 /nfs/dbraw/zinc/40/11/31/646401131.db2.gz GGISXCMTXZBZGC-ZJUUUORDSA-N 2 2 237.351 0.811 20 0 BCADLP Cn1nncc1C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925672389 646401976 /nfs/dbraw/zinc/40/19/76/646401976.db2.gz IDWPWQVTDSFXEH-WOPDTQHZSA-N 2 2 249.362 0.681 20 0 BCADLP FC1(F)CC(C[NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925672323 646403218 /nfs/dbraw/zinc/40/32/18/646403218.db2.gz HIPBEMZQWFAEFH-SECBINFHSA-N 2 2 220.263 0.610 20 0 BCADLP CC(F)(F)CCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925677513 646407506 /nfs/dbraw/zinc/40/75/06/646407506.db2.gz XIACVHWORCCZHB-VIFPVBQESA-N 2 2 222.279 1.000 20 0 BCADLP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CCOC2)[C@@H](C)O1 ZINC000925696577 646421329 /nfs/dbraw/zinc/42/13/29/646421329.db2.gz KWIYCWAVVLADBK-DDHJBXDOSA-N 2 2 228.336 0.378 20 0 BCADLP C[C@@H]1C[C@H](C[NH2+][C@H]2C[NH2+]CCOC2)[C@@H](C)O1 ZINC000925696578 646422241 /nfs/dbraw/zinc/42/22/41/646422241.db2.gz KWIYCWAVVLADBK-KKOKHZNYSA-N 2 2 228.336 0.378 20 0 BCADLP CC1(C)C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCO2)C[C@@H]([NH3+])C1 ZINC000925704012 646428334 /nfs/dbraw/zinc/42/83/34/646428334.db2.gz FSHGCBAJXSEIIP-WOPDTQHZSA-N 3 2 241.379 0.470 20 0 BCADLP CC[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CCOC2)CCO1 ZINC000925704539 646429573 /nfs/dbraw/zinc/42/95/73/646429573.db2.gz HOUQTZKYJNGDKM-GRYCIOLGSA-N 2 2 228.336 0.522 20 0 BCADLP C1[C@@H]2CC[C@@H]([NH2+][C@@H]3C[NH2+]CCOC3)C[C@H]12 ZINC000925706270 646431447 /nfs/dbraw/zinc/43/14/47/646431447.db2.gz BVWFMQCJIVYJJM-NNYUYHANSA-N 2 2 210.321 0.753 20 0 BCADLP OC/C=C/C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925710379 646434051 /nfs/dbraw/zinc/43/40/51/646434051.db2.gz XFFMZLVMPHWMQZ-PGLGOXFNSA-N 2 2 210.321 0.799 20 0 BCADLP COC1CC(CC[NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925713673 646439475 /nfs/dbraw/zinc/43/94/75/646439475.db2.gz MNUKZWCZWZRKSV-CXQJBGSLSA-N 2 2 228.336 0.380 20 0 BCADLP CN1CCOC[C@@H]1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925717985 646442967 /nfs/dbraw/zinc/44/29/67/646442967.db2.gz MIGXPGJMQGYGFL-QWRGUYRKSA-N 2 2 227.352 0.047 20 0 BCADLP CN1CCOC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925719344 646444275 /nfs/dbraw/zinc/44/42/75/646444275.db2.gz RYDMBCDGSLETKJ-NWDGAFQWSA-N 2 2 239.363 0.191 20 0 BCADLP CCC[C@H](CCO)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925724777 646449402 /nfs/dbraw/zinc/44/94/02/646449402.db2.gz MUSQBGDWIASPQF-MNOVXSKESA-N 2 2 216.325 0.116 20 0 BCADLP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925772268 646470335 /nfs/dbraw/zinc/47/03/35/646470335.db2.gz HMTPDJJHRFVLEN-RXGFPQBGSA-N 2 2 224.348 0.857 20 0 BCADLP C[C@H]([NH2+]CCN1CCNC1=O)[C@@H]1CCCC[NH2+]1 ZINC000925777932 646475790 /nfs/dbraw/zinc/47/57/90/646475790.db2.gz RKGFQCUICZWBKP-QWRGUYRKSA-N 2 2 240.351 0.132 20 0 BCADLP CCO[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)C[NH+](C)C ZINC000925836231 646504982 /nfs/dbraw/zinc/50/49/82/646504982.db2.gz JCJGWZHDTDMCHM-YNEHKIRRSA-N 3 2 243.395 0.813 20 0 BCADLP COC[C@@H](C[NH2+][C@@H]1C[NH2+]CCOC1)C(C)C ZINC000925874516 646526213 /nfs/dbraw/zinc/52/62/13/646526213.db2.gz SHVZXTSJNPJGPW-VXGBXAGGSA-N 2 2 230.352 0.483 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H](O)c1ccnn1C ZINC000925891146 646534097 /nfs/dbraw/zinc/53/40/97/646534097.db2.gz SRCKJZFYRISOMR-JFGNBEQYSA-N 2 2 238.335 0.041 20 0 BCADLP Cc1cc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C)c(C)c[nH+]1 ZINC000926081486 646572728 /nfs/dbraw/zinc/57/27/28/646572728.db2.gz IGYZIPPWBOOZTR-PRHODGIISA-N 2 2 248.330 0.850 20 0 BCADLP C[C@@H]1COC[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000926223023 646597113 /nfs/dbraw/zinc/59/71/13/646597113.db2.gz AGZRIKSROLGKIY-GMTAPVOTSA-N 2 2 221.304 0.822 20 0 BCADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cnn(C)n1 ZINC000926231244 646600179 /nfs/dbraw/zinc/60/01/79/646600179.db2.gz YMCZWPVROWAQQI-VHSXEESVSA-N 2 2 246.318 0.677 20 0 BCADLP COC[C@@H](O)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926372096 646627832 /nfs/dbraw/zinc/62/78/32/646627832.db2.gz FMIVOLKIJUSXAN-AVGNSLFASA-N 2 2 242.363 0.600 20 0 BCADLP COC[C@@H](O)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926372096 646627837 /nfs/dbraw/zinc/62/78/37/646627837.db2.gz FMIVOLKIJUSXAN-AVGNSLFASA-N 2 2 242.363 0.600 20 0 BCADLP COC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926370536 646628220 /nfs/dbraw/zinc/62/82/20/646628220.db2.gz FMIVOLKIJUSXAN-UPJWGTAASA-N 2 2 242.363 0.600 20 0 BCADLP COC[C@H](O)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926370536 646628223 /nfs/dbraw/zinc/62/82/23/646628223.db2.gz FMIVOLKIJUSXAN-UPJWGTAASA-N 2 2 242.363 0.600 20 0 BCADLP COC[C@@H](O)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926372097 646628357 /nfs/dbraw/zinc/62/83/57/646628357.db2.gz FMIVOLKIJUSXAN-RWMBFGLXSA-N 2 2 242.363 0.600 20 0 BCADLP COC[C@@H](O)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926372097 646628361 /nfs/dbraw/zinc/62/83/61/646628361.db2.gz FMIVOLKIJUSXAN-RWMBFGLXSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cnnn1C ZINC000926448822 646639334 /nfs/dbraw/zinc/63/93/34/646639334.db2.gz CKESITWGEWXRHV-BDAKNGLRSA-N 2 2 246.318 0.746 20 0 BCADLP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cnnn1C ZINC000926476063 646653865 /nfs/dbraw/zinc/65/38/65/646653865.db2.gz XCXDMTSFZUIKBY-VHSXEESVSA-N 2 2 225.340 0.663 20 0 BCADLP CO[C@@H]1CC[C@@H]1[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000724187478 711567445 /nfs/dbraw/zinc/56/74/45/711567445.db2.gz JWSUGWULHWSWMG-RWMBFGLXSA-N 2 2 242.363 0.551 20 0 BCADLP CO[C@@H]1CC[C@@H]1[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000724187478 711567448 /nfs/dbraw/zinc/56/74/48/711567448.db2.gz JWSUGWULHWSWMG-RWMBFGLXSA-N 2 2 242.363 0.551 20 0 BCADLP CO[C@@H]1CC[C@@H]1[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000724187478 711567450 /nfs/dbraw/zinc/56/74/50/711567450.db2.gz JWSUGWULHWSWMG-RWMBFGLXSA-N 2 2 242.363 0.551 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCCC[NH2+]1 ZINC000911715223 711819440 /nfs/dbraw/zinc/81/94/40/711819440.db2.gz VMAAPJNSKFIAID-SECBINFHSA-N 2 2 222.292 0.211 20 0 BCADLP CC[N@@H+]1CC[C@@H]1CNC1CC[NH+](C)CC1 ZINC000712540447 712443404 /nfs/dbraw/zinc/44/34/04/712443404.db2.gz BDNHJDQYHLGWFS-GFCCVEGCSA-N 2 2 211.353 0.764 20 0 BCADLP CC[N@H+]1CC[C@@H]1CNC1CC[NH+](C)CC1 ZINC000712540447 712443406 /nfs/dbraw/zinc/44/34/06/712443406.db2.gz BDNHJDQYHLGWFS-GFCCVEGCSA-N 2 2 211.353 0.764 20 0 BCADLP C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)[C@H]1CCC[NH2+]1 ZINC000714249046 712480915 /nfs/dbraw/zinc/48/09/15/712480915.db2.gz UAOCKBKPJXDZKA-XWLWVQCSSA-N 2 2 246.376 0.292 20 0 BCADLP Cc1nc(N[C@H]2CC[N@H+](C)[C@@H]2C)nc(N)[nH+]1 ZINC000719350364 712805333 /nfs/dbraw/zinc/80/53/33/712805333.db2.gz SPLLUDFEYRMPBM-SVRRBLITSA-N 2 2 222.296 0.267 20 0 BCADLP Cc1nc(N[C@H]2CC[N@@H+](C)[C@@H]2C)nc(N)[nH+]1 ZINC000719350364 712805334 /nfs/dbraw/zinc/80/53/34/712805334.db2.gz SPLLUDFEYRMPBM-SVRRBLITSA-N 2 2 222.296 0.267 20 0 BCADLP CC[N@H+](CC(=O)NC)C[C@@]1(C)CC[NH2+]C1 ZINC000381599680 710659541 /nfs/dbraw/zinc/65/95/41/710659541.db2.gz NAZMEUBDHPKMQM-NSHDSACASA-N 2 2 213.325 0.054 20 0 BCADLP CC[N@@H+](CC(=O)NC)C[C@@]1(C)CC[NH2+]C1 ZINC000381599680 710659545 /nfs/dbraw/zinc/65/95/45/710659545.db2.gz NAZMEUBDHPKMQM-NSHDSACASA-N 2 2 213.325 0.054 20 0 BCADLP [NH3+][C@@H]1CCCCC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000724934619 710750292 /nfs/dbraw/zinc/75/02/92/710750292.db2.gz DEWPPSQKUJJXDL-CHWSQXEVSA-N 2 2 242.363 0.995 20 0 BCADLP [NH3+][C@@H]1CCCCC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000724934619 710750294 /nfs/dbraw/zinc/75/02/94/710750294.db2.gz DEWPPSQKUJJXDL-CHWSQXEVSA-N 2 2 242.363 0.995 20 0 BCADLP [NH3+][C@@H]1CCCCC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000724934622 710750795 /nfs/dbraw/zinc/75/07/95/710750795.db2.gz DEWPPSQKUJJXDL-OLZOCXBDSA-N 2 2 242.363 0.995 20 0 BCADLP [NH3+][C@@H]1CCCCC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000724934622 710750799 /nfs/dbraw/zinc/75/07/99/710750799.db2.gz DEWPPSQKUJJXDL-OLZOCXBDSA-N 2 2 242.363 0.995 20 0 BCADLP CC[NH+]1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001043876296 710815034 /nfs/dbraw/zinc/81/50/34/710815034.db2.gz PGNCZGURQHDRJM-LLVKDONJSA-N 2 2 239.363 0.633 20 0 BCADLP CC[NH+]1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001043876296 710815039 /nfs/dbraw/zinc/81/50/39/710815039.db2.gz PGNCZGURQHDRJM-LLVKDONJSA-N 2 2 239.363 0.633 20 0 BCADLP O=C1NCCCC[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000385530953 711014695 /nfs/dbraw/zinc/01/46/95/711014695.db2.gz RGPJZTNLOVMVEV-MCDVFOBDSA-N 2 2 249.358 0.241 20 0 BCADLP Cn1nccc1CC[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000388024066 711050000 /nfs/dbraw/zinc/05/00/00/711050000.db2.gz FVMNAAIVALUKQT-NSHDSACASA-N 2 2 222.336 0.632 20 0 BCADLP Cn1nccc1CC[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000388024066 711050004 /nfs/dbraw/zinc/05/00/04/711050004.db2.gz FVMNAAIVALUKQT-NSHDSACASA-N 2 2 222.336 0.632 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000389798863 711089003 /nfs/dbraw/zinc/08/90/03/711089003.db2.gz QVEWIQYUPQEOSG-VXGBXAGGSA-N 2 2 228.336 0.164 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000389798863 711089006 /nfs/dbraw/zinc/08/90/06/711089006.db2.gz QVEWIQYUPQEOSG-VXGBXAGGSA-N 2 2 228.336 0.164 20 0 BCADLP CC(=O)OC[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000390009127 711104556 /nfs/dbraw/zinc/10/45/56/711104556.db2.gz YFACVQWXJDKVQE-SECBINFHSA-N 2 2 211.265 0.424 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1COCCO1 ZINC000396602140 711352810 /nfs/dbraw/zinc/35/28/10/711352810.db2.gz BHOPWWDAWLELDZ-HBNTYKKESA-N 2 2 214.309 0.132 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1COC(C)(C)C1)C1CC1 ZINC000396549972 711352864 /nfs/dbraw/zinc/35/28/64/711352864.db2.gz VVUUYVRKRXTYBR-PWSUYJOCSA-N 2 2 242.363 0.599 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1COC(C)(C)C1)C1CC1 ZINC000396549972 711352869 /nfs/dbraw/zinc/35/28/69/711352869.db2.gz VVUUYVRKRXTYBR-PWSUYJOCSA-N 2 2 242.363 0.599 20 0 BCADLP COC[C@H](CCO)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396619001 711360360 /nfs/dbraw/zinc/36/03/60/711360360.db2.gz HDGHYGPRFSETJM-VWYCJHECSA-N 2 2 216.325 0.114 20 0 BCADLP CON(C)C(=O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000397535109 711384452 /nfs/dbraw/zinc/38/44/52/711384452.db2.gz PITMIYHRXOUCNI-UHFFFAOYSA-N 2 2 243.351 0.469 20 0 BCADLP COC[C@@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000381224129 710610658 /nfs/dbraw/zinc/61/06/58/710610658.db2.gz HYDNFCLDGPEAIQ-LLVKDONJSA-N 2 2 228.336 0.210 20 0 BCADLP CO[C@@H]1CC[C@@H]1[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000724187478 711567442 /nfs/dbraw/zinc/56/74/42/711567442.db2.gz JWSUGWULHWSWMG-RWMBFGLXSA-N 2 2 242.363 0.551 20 0 BCADLP CC1(C)C[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C[C@@H]1[NH3+] ZINC000724598279 711596200 /nfs/dbraw/zinc/59/62/00/711596200.db2.gz GOPFYGSLPSCGSU-KXNHARMFSA-N 2 2 240.347 0.459 20 0 BCADLP CC1(C)C[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C[C@@H]1[NH3+] ZINC000724598279 711596203 /nfs/dbraw/zinc/59/62/03/711596203.db2.gz GOPFYGSLPSCGSU-KXNHARMFSA-N 2 2 240.347 0.459 20 0 BCADLP COC[C@](C)(CO)[NH2+]Cc1[nH]c(C)[nH+]c1C ZINC000724783855 711614040 /nfs/dbraw/zinc/61/40/40/711614040.db2.gz BGCWDDKCXODCLS-NSHDSACASA-N 2 2 227.308 0.514 20 0 BCADLP CC(C)NC(=[NH2+])NCCc1cn(C)c[nH+]1 ZINC000313458779 711726523 /nfs/dbraw/zinc/72/65/23/711726523.db2.gz HATNWGVVNBUHFX-UHFFFAOYSA-N 2 2 209.297 0.485 20 0 BCADLP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]c[nH+]c1C ZINC001032754946 711936119 /nfs/dbraw/zinc/93/61/19/711936119.db2.gz WMKZOBYZNYBEFU-QWRGUYRKSA-N 2 2 248.330 0.566 20 0 BCADLP CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]c[nH+]c1C ZINC001032754946 711936120 /nfs/dbraw/zinc/93/61/20/711936120.db2.gz WMKZOBYZNYBEFU-QWRGUYRKSA-N 2 2 248.330 0.566 20 0 BCADLP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032814828 711944415 /nfs/dbraw/zinc/94/44/15/711944415.db2.gz LMPQSBNTMLUQCO-QWRGUYRKSA-N 2 2 234.303 0.188 20 0 BCADLP CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032814828 711944416 /nfs/dbraw/zinc/94/44/16/711944416.db2.gz LMPQSBNTMLUQCO-QWRGUYRKSA-N 2 2 234.303 0.188 20 0 BCADLP Cn1ncc(C[NH2+]CCCCn2cc[nH+]c2)n1 ZINC000383601389 711973943 /nfs/dbraw/zinc/97/39/43/711973943.db2.gz QJEPGNJIXNYTSD-UHFFFAOYSA-N 2 2 234.307 0.582 20 0 BCADLP CC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C(=O)NC ZINC000700420701 711993200 /nfs/dbraw/zinc/99/32/00/711993200.db2.gz WRKFTSPQQIVVDG-DCHHYWPUSA-N 2 2 237.347 0.097 20 0 BCADLP C[C@@H](CC[NH2+]Cc1cncn1C)[NH+](C)C ZINC000700453779 711995460 /nfs/dbraw/zinc/99/54/60/711995460.db2.gz GQFDVQGPVKOMRJ-JTQLQIEISA-N 2 2 210.325 0.850 20 0 BCADLP Cc1nc(N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)nc(N)[nH+]1 ZINC000702405921 712051009 /nfs/dbraw/zinc/05/10/09/712051009.db2.gz WLCBMTIMLSHBLD-SKDRFNHKSA-N 2 2 248.334 0.150 20 0 BCADLP Cc1nc(N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)nc(N)[nH+]1 ZINC000702405921 712051010 /nfs/dbraw/zinc/05/10/10/712051010.db2.gz WLCBMTIMLSHBLD-SKDRFNHKSA-N 2 2 248.334 0.150 20 0 BCADLP C[N@@H+]1C[C@@H]2C[NH+](C[C@@]3(C)CC[NH2+]C3)C[C@]2(C)C1 ZINC000702470245 712053747 /nfs/dbraw/zinc/05/37/47/712053747.db2.gz OYUZAUSHXABCHF-RDBSUJKOSA-N 3 2 237.391 0.870 20 0 BCADLP C[N@H+]1C[C@@H]2C[NH+](C[C@@]3(C)CC[NH2+]C3)C[C@]2(C)C1 ZINC000702470245 712053749 /nfs/dbraw/zinc/05/37/49/712053749.db2.gz OYUZAUSHXABCHF-RDBSUJKOSA-N 3 2 237.391 0.870 20 0 BCADLP C[NH+]1C[C@@H]2C[N@H+](C[C@@]3(C)CC[NH2+]C3)C[C@]2(C)C1 ZINC000702470245 712053750 /nfs/dbraw/zinc/05/37/50/712053750.db2.gz OYUZAUSHXABCHF-RDBSUJKOSA-N 3 2 237.391 0.870 20 0 BCADLP C[NH+]1C[C@@H]2C[N@@H+](C[C@@]3(C)CC[NH2+]C3)C[C@]2(C)C1 ZINC000702470245 712053751 /nfs/dbraw/zinc/05/37/51/712053751.db2.gz OYUZAUSHXABCHF-RDBSUJKOSA-N 3 2 237.391 0.870 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H](O)C(F)(F)F)C2 ZINC000703539171 712077886 /nfs/dbraw/zinc/07/78/86/712077886.db2.gz ZRANMYBBKPDYCI-XHNCKOQMSA-N 2 2 238.253 0.451 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@H](O)C(F)(F)F)C2 ZINC000703539171 712077888 /nfs/dbraw/zinc/07/78/88/712077888.db2.gz ZRANMYBBKPDYCI-XHNCKOQMSA-N 2 2 238.253 0.451 20 0 BCADLP Cc1nccnc1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703566170 712080529 /nfs/dbraw/zinc/08/05/29/712080529.db2.gz HZIXWCWHRBLIFO-WCQYABFASA-N 2 2 232.331 0.826 20 0 BCADLP Cc1nccnc1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703566170 712080532 /nfs/dbraw/zinc/08/05/32/712080532.db2.gz HZIXWCWHRBLIFO-WCQYABFASA-N 2 2 232.331 0.826 20 0 BCADLP Cc1cnc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)nc1 ZINC000708878120 712202095 /nfs/dbraw/zinc/20/20/95/712202095.db2.gz UDFRWOXKWOVYNR-WDEREUQCSA-N 2 2 220.320 0.812 20 0 BCADLP Cc1cnc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)nc1 ZINC000708878120 712202096 /nfs/dbraw/zinc/20/20/96/712202096.db2.gz UDFRWOXKWOVYNR-WDEREUQCSA-N 2 2 220.320 0.812 20 0 BCADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)nn1C ZINC000710927045 712266330 /nfs/dbraw/zinc/26/63/30/712266330.db2.gz QVTGLMAPHWLRDF-LLVKDONJSA-N 2 2 222.336 0.899 20 0 BCADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)nn1C ZINC000710927045 712266331 /nfs/dbraw/zinc/26/63/31/712266331.db2.gz QVTGLMAPHWLRDF-LLVKDONJSA-N 2 2 222.336 0.899 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000373107279 712284560 /nfs/dbraw/zinc/28/45/60/712284560.db2.gz RETPRQHPJMMRMI-GHMZBOCLSA-N 2 2 248.330 0.488 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000373107279 712284561 /nfs/dbraw/zinc/28/45/61/712284561.db2.gz RETPRQHPJMMRMI-GHMZBOCLSA-N 2 2 248.330 0.488 20 0 BCADLP FC[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000711445337 712300850 /nfs/dbraw/zinc/30/08/50/712300850.db2.gz TVASFMCIECXDQZ-WDEREUQCSA-N 2 2 216.300 0.656 20 0 BCADLP FC[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000711445337 712300853 /nfs/dbraw/zinc/30/08/53/712300853.db2.gz TVASFMCIECXDQZ-WDEREUQCSA-N 2 2 216.300 0.656 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](CF)C1)C1CC1 ZINC000711471655 712303419 /nfs/dbraw/zinc/30/34/19/712303419.db2.gz UIKLOBHKNRZRQQ-CMPLNLGQSA-N 2 2 230.327 0.733 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](CF)C1)C1CC1 ZINC000711471655 712303420 /nfs/dbraw/zinc/30/34/20/712303420.db2.gz UIKLOBHKNRZRQQ-CMPLNLGQSA-N 2 2 230.327 0.733 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](CF)C1)C1CC1 ZINC000711471655 712303421 /nfs/dbraw/zinc/30/34/21/712303421.db2.gz UIKLOBHKNRZRQQ-CMPLNLGQSA-N 2 2 230.327 0.733 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](CF)C1)C1CC1 ZINC000711471655 712303422 /nfs/dbraw/zinc/30/34/22/712303422.db2.gz UIKLOBHKNRZRQQ-CMPLNLGQSA-N 2 2 230.327 0.733 20 0 BCADLP CC[N@@H+]1CC[C@H]1CNc1nc[nH+]c(N)c1OC ZINC000712582642 712433590 /nfs/dbraw/zinc/43/35/90/712433590.db2.gz ZHNKKZGZILSBKG-QMMMGPOBSA-N 2 2 237.307 0.574 20 0 BCADLP CC[N@H+]1CC[C@H]1CNc1nc[nH+]c(N)c1OC ZINC000712582642 712433591 /nfs/dbraw/zinc/43/35/91/712433591.db2.gz ZHNKKZGZILSBKG-QMMMGPOBSA-N 2 2 237.307 0.574 20 0 BCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCn2cnnn2)[C@@H]1C ZINC000712613147 712437945 /nfs/dbraw/zinc/43/79/45/712437945.db2.gz ACBCTHYVRXAICJ-GMTAPVOTSA-N 2 2 238.339 0.121 20 0 BCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCn2cnnn2)[C@@H]1C ZINC000712613147 712437947 /nfs/dbraw/zinc/43/79/47/712437947.db2.gz ACBCTHYVRXAICJ-GMTAPVOTSA-N 2 2 238.339 0.121 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)C[C@@H]1CC2(CO1)CCOCC2 ZINC000712620422 712438773 /nfs/dbraw/zinc/43/87/73/712438773.db2.gz ZOQLWOJRHWVKFE-RYUDHWBXSA-N 2 2 242.363 0.851 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@@H]1CC2(CO1)CCOCC2 ZINC000712620422 712438774 /nfs/dbraw/zinc/43/87/74/712438774.db2.gz ZOQLWOJRHWVKFE-RYUDHWBXSA-N 2 2 242.363 0.851 20 0 BCADLP Cc1cn[nH]c1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000716454120 712561949 /nfs/dbraw/zinc/56/19/49/712561949.db2.gz VAYXMWBKZBVKIU-UWVGGRQHSA-N 2 2 208.309 0.934 20 0 BCADLP Cc1c[nH]nc1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000716454120 712561950 /nfs/dbraw/zinc/56/19/50/712561950.db2.gz VAYXMWBKZBVKIU-UWVGGRQHSA-N 2 2 208.309 0.934 20 0 BCADLP C[C@H]([NH2+]CC1(C)OCCO1)[C@H]1CCC[NH2+]1 ZINC000716903184 712581361 /nfs/dbraw/zinc/58/13/61/712581361.db2.gz JFIXLTYJGLCDNG-VHSXEESVSA-N 2 2 214.309 0.480 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)CCCCC[NH3+] ZINC000379971061 712642768 /nfs/dbraw/zinc/64/27/68/712642768.db2.gz MTDXVHKTWXPXTD-UHFFFAOYSA-N 2 2 224.308 0.853 20 0 BCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000380090123 712685501 /nfs/dbraw/zinc/68/55/01/712685501.db2.gz GNYTZPCIMLVORW-RWMBFGLXSA-N 3 2 241.379 0.112 20 0 BCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000380090123 712685502 /nfs/dbraw/zinc/68/55/02/712685502.db2.gz GNYTZPCIMLVORW-RWMBFGLXSA-N 3 2 241.379 0.112 20 0 BCADLP C[NH+]1CCC([NH2+]C[C@@H](O)c2ccco2)CC1 ZINC000037887377 712781008 /nfs/dbraw/zinc/78/10/08/712781008.db2.gz GDNAJIGNTFOUGO-LLVKDONJSA-N 2 2 224.304 0.997 20 0 BCADLP COC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000720479089 712845971 /nfs/dbraw/zinc/84/59/71/712845971.db2.gz HFRVLBNTPYCYHT-IJLUTSLNSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000720479089 712845974 /nfs/dbraw/zinc/84/59/74/712845974.db2.gz HFRVLBNTPYCYHT-IJLUTSLNSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@H](O)C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720479089 712845976 /nfs/dbraw/zinc/84/59/76/712845976.db2.gz HFRVLBNTPYCYHT-IJLUTSLNSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@H](O)C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720479089 712845979 /nfs/dbraw/zinc/84/59/79/712845979.db2.gz HFRVLBNTPYCYHT-IJLUTSLNSA-N 2 2 228.336 0.162 20 0 BCADLP Cc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(C)nn1 ZINC000720577688 712853794 /nfs/dbraw/zinc/85/37/94/712853794.db2.gz KPPNWXUQYZRORM-STQMWFEESA-N 2 2 232.331 0.745 20 0 BCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720795015 712865892 /nfs/dbraw/zinc/86/58/92/712865892.db2.gz FNNWBLWTPCUQKL-NTZNESFSSA-N 2 2 239.363 0.442 20 0 BCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720795015 712865893 /nfs/dbraw/zinc/86/58/93/712865893.db2.gz FNNWBLWTPCUQKL-NTZNESFSSA-N 2 2 239.363 0.442 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCCS(C)(=O)=O)CC[N@@H+]1C ZINC000156240322 136213517 /nfs/dbraw/zinc/21/35/17/136213517.db2.gz FUFITFWNDRFLIS-MNOVXSKESA-N 2 2 248.392 0.493 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCCS(C)(=O)=O)CC[N@H+]1C ZINC000156240322 136213518 /nfs/dbraw/zinc/21/35/18/136213518.db2.gz FUFITFWNDRFLIS-MNOVXSKESA-N 2 2 248.392 0.493 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCCS(C)(=O)=O)CC[N@@H+]1C ZINC000156240443 136213534 /nfs/dbraw/zinc/21/35/34/136213534.db2.gz FUFITFWNDRFLIS-QWRGUYRKSA-N 2 2 248.392 0.493 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCCS(C)(=O)=O)CC[N@H+]1C ZINC000156240443 136213535 /nfs/dbraw/zinc/21/35/35/136213535.db2.gz FUFITFWNDRFLIS-QWRGUYRKSA-N 2 2 248.392 0.493 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062896233 349496317 /nfs/dbraw/zinc/49/63/17/349496317.db2.gz HXQQOMVCMMBIPJ-LBPRGKRZSA-N 2 2 236.319 0.378 20 0 BCADLP C[NH2+]CC1CC[NH+](Cc2noc(C)n2)CC1 ZINC000063166139 349500842 /nfs/dbraw/zinc/50/08/42/349500842.db2.gz AODPLHJUPWWXJC-UHFFFAOYSA-N 2 2 224.308 0.809 20 0 BCADLP C[C@H](CCO)[N@H+](C)CCCn1cc[nH+]c1 ZINC000649870316 398156726 /nfs/dbraw/zinc/15/67/26/398156726.db2.gz ZRSJWWSCXKPPSJ-LLVKDONJSA-N 2 2 211.309 0.976 20 0 BCADLP C[C@H](CCO)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000649870316 398156731 /nfs/dbraw/zinc/15/67/31/398156731.db2.gz ZRSJWWSCXKPPSJ-LLVKDONJSA-N 2 2 211.309 0.976 20 0 BCADLP CCCCNC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430576406 398179112 /nfs/dbraw/zinc/17/91/12/398179112.db2.gz XFGMQEKNRUWAGP-GFCCVEGCSA-N 2 2 227.352 0.620 20 0 BCADLP CCCCNC(=O)CC[N@@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000339898200 398180221 /nfs/dbraw/zinc/18/02/21/398180221.db2.gz GYBJDTZDSBVPJO-GFCCVEGCSA-N 2 2 241.379 0.977 20 0 BCADLP CCCCNC(=O)CC[N@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000339898200 398180226 /nfs/dbraw/zinc/18/02/26/398180226.db2.gz GYBJDTZDSBVPJO-GFCCVEGCSA-N 2 2 241.379 0.977 20 0 BCADLP COC[C@H](CC(C)C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415094956 398160794 /nfs/dbraw/zinc/16/07/94/398160794.db2.gz KZVVPIXDISQLLD-NWDGAFQWSA-N 2 2 230.352 0.626 20 0 BCADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)[C@@H](C)O)C1 ZINC000519142094 398165669 /nfs/dbraw/zinc/16/56/69/398165669.db2.gz YNURGITUNJFUFX-AXFHLTTASA-N 2 2 200.326 0.830 20 0 BCADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)[C@@H](C)O)C1 ZINC000519142094 398165674 /nfs/dbraw/zinc/16/56/74/398165674.db2.gz YNURGITUNJFUFX-AXFHLTTASA-N 2 2 200.326 0.830 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C(C)C ZINC000380100817 398186014 /nfs/dbraw/zinc/18/60/14/398186014.db2.gz XGRAUVCIQQINJI-OLZOCXBDSA-N 2 2 246.395 0.902 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C(C)C ZINC000380100817 398186019 /nfs/dbraw/zinc/18/60/19/398186019.db2.gz XGRAUVCIQQINJI-OLZOCXBDSA-N 2 2 246.395 0.902 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)C(C)C ZINC000380100817 398186023 /nfs/dbraw/zinc/18/60/23/398186023.db2.gz XGRAUVCIQQINJI-OLZOCXBDSA-N 2 2 246.395 0.902 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)C(C)C ZINC000380100817 398186025 /nfs/dbraw/zinc/18/60/25/398186025.db2.gz XGRAUVCIQQINJI-OLZOCXBDSA-N 2 2 246.395 0.902 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647796797 398201680 /nfs/dbraw/zinc/20/16/80/398201680.db2.gz OCYDZNUTGCHAQC-QNWHQSFQSA-N 3 2 225.380 0.914 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647796800 398201691 /nfs/dbraw/zinc/20/16/91/398201691.db2.gz OCYDZNUTGCHAQC-ZDEQEGDKSA-N 3 2 225.380 0.914 20 0 BCADLP C[C@H](CO)CCC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336750925 398203056 /nfs/dbraw/zinc/20/30/56/398203056.db2.gz GBDLFTAHAZYDIK-QJPTWQEYSA-N 2 2 214.353 0.935 20 0 BCADLP C[C@H](CO)CCC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336750925 398203059 /nfs/dbraw/zinc/20/30/59/398203059.db2.gz GBDLFTAHAZYDIK-QJPTWQEYSA-N 2 2 214.353 0.935 20 0 BCADLP C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)n1cc[nH+]c1 ZINC000638926975 398204586 /nfs/dbraw/zinc/20/45/86/398204586.db2.gz OXGQPOKRZNPFIW-SDDRHHMPSA-N 2 2 248.330 0.797 20 0 BCADLP Cc1cc(NC(=O)CC[N@@H+]2CC[C@@H]([NH3+])C2)no1 ZINC000050242569 178128367 /nfs/dbraw/zinc/12/83/67/178128367.db2.gz QIALPYYSVRQZLA-SECBINFHSA-N 2 2 238.291 0.345 20 0 BCADLP Cc1cc(NC(=O)CC[N@H+]2CC[C@@H]([NH3+])C2)no1 ZINC000050242569 178128370 /nfs/dbraw/zinc/12/83/70/178128370.db2.gz QIALPYYSVRQZLA-SECBINFHSA-N 2 2 238.291 0.345 20 0 BCADLP CC(C)[C@@H](CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000092393750 398205142 /nfs/dbraw/zinc/20/51/42/398205142.db2.gz OJDCFLOOLAHAPB-LLVKDONJSA-N 2 2 240.351 0.593 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCOCC2CC2)CCO1 ZINC000647864718 398217578 /nfs/dbraw/zinc/21/75/78/398217578.db2.gz ZQVLTNWXEQFEHN-PWSUYJOCSA-N 2 2 228.336 0.461 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCOCC2CC2)CCO1 ZINC000647864718 398217582 /nfs/dbraw/zinc/21/75/82/398217582.db2.gz ZQVLTNWXEQFEHN-PWSUYJOCSA-N 2 2 228.336 0.461 20 0 BCADLP Cc1cc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc[nH+]1 ZINC000237724971 178148862 /nfs/dbraw/zinc/14/88/62/178148862.db2.gz PLIFJWVLZLMABU-NXEZZACHSA-N 2 2 221.260 0.051 20 0 BCADLP Cc1cc(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc[nH+]1 ZINC000237725035 178149080 /nfs/dbraw/zinc/14/90/80/178149080.db2.gz PLIFJWVLZLMABU-VHSXEESVSA-N 2 2 221.260 0.051 20 0 BCADLP Cc1cc(NC2CC[NH+](CC(N)=O)CC2)nc[nH+]1 ZINC000040727324 178155041 /nfs/dbraw/zinc/15/50/41/178155041.db2.gz PUEFYJQRWTYXIE-UHFFFAOYSA-N 2 2 249.318 0.147 20 0 BCADLP Cc1cc(NCC[NH+]2CCOCC2)nc(C)[nH+]1 ZINC000037498418 178160986 /nfs/dbraw/zinc/16/09/86/178160986.db2.gz BBIOFHAUUNWQKU-UHFFFAOYSA-N 2 2 236.319 0.838 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CC[NH2+]C2)C1 ZINC000649414232 398212904 /nfs/dbraw/zinc/21/29/04/398212904.db2.gz NQJYTJYZDGWIKB-CHWSQXEVSA-N 3 2 225.380 0.870 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CC[NH2+]C2)C1 ZINC000649414232 398212905 /nfs/dbraw/zinc/21/29/05/398212905.db2.gz NQJYTJYZDGWIKB-CHWSQXEVSA-N 3 2 225.380 0.870 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000649414232 398212906 /nfs/dbraw/zinc/21/29/06/398212906.db2.gz NQJYTJYZDGWIKB-CHWSQXEVSA-N 3 2 225.380 0.870 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000649414232 398212907 /nfs/dbraw/zinc/21/29/07/398212907.db2.gz NQJYTJYZDGWIKB-CHWSQXEVSA-N 3 2 225.380 0.870 20 0 BCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC000073291340 343986107 /nfs/dbraw/zinc/98/61/07/343986107.db2.gz VMJTWLZKSSHXQW-LLVKDONJSA-N 2 2 238.335 0.730 20 0 BCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC000073291340 343986108 /nfs/dbraw/zinc/98/61/08/343986108.db2.gz VMJTWLZKSSHXQW-LLVKDONJSA-N 2 2 238.335 0.730 20 0 BCADLP C[NH+](CCC[N@@H+](C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000343497915 365600101 /nfs/dbraw/zinc/60/01/01/365600101.db2.gz XJIJDVLFQCUDEL-BETUJISGSA-N 2 2 242.363 0.818 20 0 BCADLP C[NH+](CCC[N@H+](C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000343497915 365600107 /nfs/dbraw/zinc/60/01/07/365600107.db2.gz XJIJDVLFQCUDEL-BETUJISGSA-N 2 2 242.363 0.818 20 0 BCADLP C[NH+](CCC[N@H+](C)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000343497915 365600111 /nfs/dbraw/zinc/60/01/11/365600111.db2.gz XJIJDVLFQCUDEL-BETUJISGSA-N 2 2 242.363 0.818 20 0 BCADLP C[NH+](CCC[N@@H+](C)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000343497915 365600120 /nfs/dbraw/zinc/60/01/20/365600120.db2.gz XJIJDVLFQCUDEL-BETUJISGSA-N 2 2 242.363 0.818 20 0 BCADLP CCCC(=O)NC1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000647880356 398223364 /nfs/dbraw/zinc/22/33/64/398223364.db2.gz LNKWVEQTYMEMMH-JTQLQIEISA-N 2 2 227.352 0.714 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCN1CCCC1=O ZINC000430559997 398227648 /nfs/dbraw/zinc/22/76/48/398227648.db2.gz VDBKWNOMZBMAIP-LLVKDONJSA-N 2 2 225.336 0.293 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1CCN1CCCC1=O ZINC000430559997 398227652 /nfs/dbraw/zinc/22/76/52/398227652.db2.gz VDBKWNOMZBMAIP-LLVKDONJSA-N 2 2 225.336 0.293 20 0 BCADLP COCCOCC[N@@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000252780348 136226772 /nfs/dbraw/zinc/22/67/72/136226772.db2.gz STQXDTWLCKASFE-RYUDHWBXSA-N 2 2 246.351 0.088 20 0 BCADLP COCCOCC[N@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000252780348 136226773 /nfs/dbraw/zinc/22/67/73/136226773.db2.gz STQXDTWLCKASFE-RYUDHWBXSA-N 2 2 246.351 0.088 20 0 BCADLP Oc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000576488386 365609479 /nfs/dbraw/zinc/60/94/79/365609479.db2.gz OTYDYZPTLWERBA-ZDUSSCGKSA-N 2 2 236.315 0.860 20 0 BCADLP CCOC[C@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000576511621 365613441 /nfs/dbraw/zinc/61/34/41/365613441.db2.gz KXGWHOPCACNEBA-VHSXEESVSA-N 2 2 239.319 0.254 20 0 BCADLP CCOC[C@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000576511621 365613448 /nfs/dbraw/zinc/61/34/48/365613448.db2.gz KXGWHOPCACNEBA-VHSXEESVSA-N 2 2 239.319 0.254 20 0 BCADLP C[NH2+][C@H]1CCCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000575783209 398240350 /nfs/dbraw/zinc/24/03/50/398240350.db2.gz QMHBHUGFDRLEAK-ZETCQYMHSA-N 2 2 241.726 0.900 20 0 BCADLP CC(C)OCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000381001404 398252496 /nfs/dbraw/zinc/25/24/96/398252496.db2.gz OTEFYYCHMBXDCB-LBPRGKRZSA-N 2 2 230.352 0.456 20 0 BCADLP CC(C)OCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000381001404 398252498 /nfs/dbraw/zinc/25/24/98/398252498.db2.gz OTEFYYCHMBXDCB-LBPRGKRZSA-N 2 2 230.352 0.456 20 0 BCADLP CC(C)OCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000381001403 398252541 /nfs/dbraw/zinc/25/25/41/398252541.db2.gz OTEFYYCHMBXDCB-GFCCVEGCSA-N 2 2 230.352 0.456 20 0 BCADLP CC(C)OCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000381001403 398252542 /nfs/dbraw/zinc/25/25/42/398252542.db2.gz OTEFYYCHMBXDCB-GFCCVEGCSA-N 2 2 230.352 0.456 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000381064886 398252580 /nfs/dbraw/zinc/25/25/80/398252580.db2.gz MLKIUKYFQXWPRA-GFCCVEGCSA-N 2 2 230.352 0.144 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000381064886 398252583 /nfs/dbraw/zinc/25/25/83/398252583.db2.gz MLKIUKYFQXWPRA-GFCCVEGCSA-N 2 2 230.352 0.144 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000576714050 365666771 /nfs/dbraw/zinc/66/67/71/365666771.db2.gz KFAMTJUAJXJLIZ-RVMXOQNASA-N 2 2 244.379 0.797 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000576714050 365666777 /nfs/dbraw/zinc/66/67/77/365666777.db2.gz KFAMTJUAJXJLIZ-RVMXOQNASA-N 2 2 244.379 0.797 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000576714050 365666783 /nfs/dbraw/zinc/66/67/83/365666783.db2.gz KFAMTJUAJXJLIZ-RVMXOQNASA-N 2 2 244.379 0.797 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000576714050 365666789 /nfs/dbraw/zinc/66/67/89/365666789.db2.gz KFAMTJUAJXJLIZ-RVMXOQNASA-N 2 2 244.379 0.797 20 0 BCADLP C[C@H](O)C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000576749147 365675723 /nfs/dbraw/zinc/67/57/23/365675723.db2.gz NGGCDNDIOYSEHU-UWVGGRQHSA-N 2 2 218.366 0.394 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000385188794 398261754 /nfs/dbraw/zinc/26/17/54/398261754.db2.gz PSTLSXWPHRRESE-UJPOAAIJSA-N 2 2 242.363 0.909 20 0 BCADLP Cc1cc(NC[C@@H]2C[NH+]3CCN2CC3)nc(C)[nH+]1 ZINC000179075766 538954367 /nfs/dbraw/zinc/95/43/67/538954367.db2.gz CZVHJKLUEWIDCJ-GFCCVEGCSA-N 2 2 247.346 0.505 20 0 BCADLP CC(C)[C@H](C(=O)NCCc1[nH]cc[nH+]1)[C@H](C)[NH3+] ZINC000399606554 342739786 /nfs/dbraw/zinc/73/97/86/342739786.db2.gz WUVNHRLQFPNGQR-ONGXEEELSA-N 2 2 238.335 0.688 20 0 BCADLP CC[C@@H]1CC[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000518211040 398285020 /nfs/dbraw/zinc/28/50/20/398285020.db2.gz BUBKDNRAHHGLME-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC[C@@H]1CC[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000518211040 398285024 /nfs/dbraw/zinc/28/50/24/398285024.db2.gz BUBKDNRAHHGLME-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC[C@@H]1CC[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000518211040 398285027 /nfs/dbraw/zinc/28/50/27/398285027.db2.gz BUBKDNRAHHGLME-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC[C@@H]1CC[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000518211040 398285030 /nfs/dbraw/zinc/28/50/30/398285030.db2.gz BUBKDNRAHHGLME-VXGBXAGGSA-N 2 2 230.352 0.410 20 0 BCADLP CC[C@H]1CC[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000518211038 398285474 /nfs/dbraw/zinc/28/54/74/398285474.db2.gz BUBKDNRAHHGLME-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP CC[C@H]1CC[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000518211038 398285475 /nfs/dbraw/zinc/28/54/75/398285475.db2.gz BUBKDNRAHHGLME-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP CC[C@H]1CC[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000518211038 398285476 /nfs/dbraw/zinc/28/54/76/398285476.db2.gz BUBKDNRAHHGLME-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP CC[C@H]1CC[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000518211038 398285477 /nfs/dbraw/zinc/28/54/77/398285477.db2.gz BUBKDNRAHHGLME-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP CSC[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000400007451 398290184 /nfs/dbraw/zinc/29/01/84/398290184.db2.gz SPSWSKOCLROYCW-MNOVXSKESA-N 2 2 230.377 0.802 20 0 BCADLP CSC[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000400007451 398290186 /nfs/dbraw/zinc/29/01/86/398290186.db2.gz SPSWSKOCLROYCW-MNOVXSKESA-N 2 2 230.377 0.802 20 0 BCADLP O[C@H]1CC[N@H+](CCNc2[nH]c3ccccc3[nH+]2)C1 ZINC000624775593 342829058 /nfs/dbraw/zinc/82/90/58/342829058.db2.gz RVUXXTBRWBCPCM-JTQLQIEISA-N 2 2 246.314 0.463 20 0 BCADLP O[C@H]1CC[N@@H+](CCNc2[nH]c3ccccc3[nH+]2)C1 ZINC000624775593 342829059 /nfs/dbraw/zinc/82/90/59/342829059.db2.gz RVUXXTBRWBCPCM-JTQLQIEISA-N 2 2 246.314 0.463 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCCn2cncn2)C[N@@H+]1C1CC1 ZINC000381882502 539007507 /nfs/dbraw/zinc/00/75/07/539007507.db2.gz HZPWSALYLTYDFP-RYUDHWBXSA-N 2 2 249.362 0.883 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCCn2cncn2)C[N@H+]1C1CC1 ZINC000381882502 539007508 /nfs/dbraw/zinc/00/75/08/539007508.db2.gz HZPWSALYLTYDFP-RYUDHWBXSA-N 2 2 249.362 0.883 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000381419395 539000341 /nfs/dbraw/zinc/00/03/41/539000341.db2.gz VLBRHPXZBJPARA-MWLCHTKSSA-N 2 2 225.336 0.324 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000381419395 539000342 /nfs/dbraw/zinc/00/03/42/539000342.db2.gz VLBRHPXZBJPARA-MWLCHTKSSA-N 2 2 225.336 0.324 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)n1C ZINC000668012166 488183717 /nfs/dbraw/zinc/18/37/17/488183717.db2.gz UMQVWOFARKCNBW-SKDRFNHKSA-N 2 2 223.320 0.931 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](O)[C@H](C)C2)n1C ZINC000668012166 488183722 /nfs/dbraw/zinc/18/37/22/488183722.db2.gz UMQVWOFARKCNBW-SKDRFNHKSA-N 2 2 223.320 0.931 20 0 BCADLP C[NH2+]C(C)(C)c1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000640755116 361993542 /nfs/dbraw/zinc/99/35/42/361993542.db2.gz SNEFTAOPXLVSEO-UHFFFAOYSA-N 2 2 220.280 0.504 20 0 BCADLP C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)[C@H](C)O ZINC000520397557 398304949 /nfs/dbraw/zinc/30/49/49/398304949.db2.gz IQHLJGJFDXPISS-OUAUKWLOSA-N 2 2 232.393 0.783 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCCC[C@@H]1O ZINC000333784434 398317026 /nfs/dbraw/zinc/31/70/26/398317026.db2.gz FDEHLRBYMNBKLQ-VOAKCMCISA-N 2 2 242.363 0.647 20 0 BCADLP Cc1cc(C[NH2+]CCn2cc[nH+]c2)on1 ZINC000309035324 342881918 /nfs/dbraw/zinc/88/19/18/342881918.db2.gz FPUYCQYWEZLCOA-UHFFFAOYSA-N 2 2 206.249 0.969 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)C)C[C@@H]1C ZINC000351518114 136246396 /nfs/dbraw/zinc/24/63/96/136246396.db2.gz LAZUFZQVPLFALP-NWDGAFQWSA-N 2 2 241.379 0.879 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)C)C[C@@H]1C ZINC000351518114 136246397 /nfs/dbraw/zinc/24/63/97/136246397.db2.gz LAZUFZQVPLFALP-NWDGAFQWSA-N 2 2 241.379 0.879 20 0 BCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)C)C[C@@H]1C ZINC000351518114 136246398 /nfs/dbraw/zinc/24/63/98/136246398.db2.gz LAZUFZQVPLFALP-NWDGAFQWSA-N 2 2 241.379 0.879 20 0 BCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)C)C[C@@H]1C ZINC000351518114 136246399 /nfs/dbraw/zinc/24/63/99/136246399.db2.gz LAZUFZQVPLFALP-NWDGAFQWSA-N 2 2 241.379 0.879 20 0 BCADLP CCc1nnc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)[nH]1 ZINC000392365372 398325509 /nfs/dbraw/zinc/32/55/09/398325509.db2.gz VAMVFOBQESDDLL-NXEZZACHSA-N 2 2 237.351 0.939 20 0 BCADLP CCc1nnc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)[nH]1 ZINC000392365372 398325510 /nfs/dbraw/zinc/32/55/10/398325510.db2.gz VAMVFOBQESDDLL-NXEZZACHSA-N 2 2 237.351 0.939 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc[nH]n1 ZINC000037158304 342923262 /nfs/dbraw/zinc/92/32/62/342923262.db2.gz ABMNQTQHMJVQAU-VIFPVBQESA-N 2 2 205.265 0.785 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc[nH]n1 ZINC000037158306 342923305 /nfs/dbraw/zinc/92/33/05/342923305.db2.gz ABMNQTQHMJVQAU-SECBINFHSA-N 2 2 205.265 0.785 20 0 BCADLP C[NH+]1CCC2(CC[N@H+](Cc3c[nH]nn3)C2)CC1 ZINC000639756431 398326051 /nfs/dbraw/zinc/32/60/51/398326051.db2.gz VEHNHYHAXGZQKZ-UHFFFAOYSA-N 2 2 235.335 0.722 20 0 BCADLP C[NH+]1CCC2(CC[N@@H+](Cc3c[nH]nn3)C2)CC1 ZINC000639756431 398326055 /nfs/dbraw/zinc/32/60/55/398326055.db2.gz VEHNHYHAXGZQKZ-UHFFFAOYSA-N 2 2 235.335 0.722 20 0 BCADLP C[NH+]1CCC2(CC[N@H+](Cc3cnn[nH]3)C2)CC1 ZINC000639756431 398326058 /nfs/dbraw/zinc/32/60/58/398326058.db2.gz VEHNHYHAXGZQKZ-UHFFFAOYSA-N 2 2 235.335 0.722 20 0 BCADLP C[NH+]1CCC2(CC[N@@H+](Cc3cnn[nH]3)C2)CC1 ZINC000639756431 398326061 /nfs/dbraw/zinc/32/60/61/398326061.db2.gz VEHNHYHAXGZQKZ-UHFFFAOYSA-N 2 2 235.335 0.722 20 0 BCADLP C[NH+]1CCC2(CC[N@H+](Cc3cn[nH]n3)C2)CC1 ZINC000639756431 398326063 /nfs/dbraw/zinc/32/60/63/398326063.db2.gz VEHNHYHAXGZQKZ-UHFFFAOYSA-N 2 2 235.335 0.722 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CCC[NH3+] ZINC000036999428 342915008 /nfs/dbraw/zinc/91/50/08/342915008.db2.gz KXGNXRMAOOQJHR-SECBINFHSA-N 2 2 210.281 0.127 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167657152 536630605 /nfs/dbraw/zinc/63/06/05/536630605.db2.gz MYFVHLZWECWNKV-UTLUCORTSA-N 2 2 214.309 0.465 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167657152 536630610 /nfs/dbraw/zinc/63/06/10/536630610.db2.gz MYFVHLZWECWNKV-UTLUCORTSA-N 2 2 214.309 0.465 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)C[NH2+]CC1CC1 ZINC000037823035 398334606 /nfs/dbraw/zinc/33/46/06/398334606.db2.gz HRXFOSYCKPOEFO-UHFFFAOYSA-N 2 2 236.319 0.378 20 0 BCADLP C[C@@H](F)CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000351845104 136256777 /nfs/dbraw/zinc/25/67/77/136256777.db2.gz QMISMLKZWVMXCP-LLVKDONJSA-N 2 2 245.342 0.440 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CCC[NH2+]CC1 ZINC000493318753 529551537 /nfs/dbraw/zinc/55/15/37/529551537.db2.gz KKPNFSLNZCJNNA-SNAWJCMRSA-N 2 2 248.330 0.738 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)NCC(C)(C)[NH3+] ZINC000493055652 529552866 /nfs/dbraw/zinc/55/28/66/529552866.db2.gz SSFQZDJEJDLPJR-AATRIKPKSA-N 2 2 236.319 0.770 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)NC[C@H]1CCC[NH2+]1 ZINC000493411461 529559827 /nfs/dbraw/zinc/55/98/27/529559827.db2.gz BBPFPBRZWDGYDP-ISALQUGTSA-N 2 2 248.330 0.784 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000493323415 529549601 /nfs/dbraw/zinc/54/96/01/529549601.db2.gz PTWJPYUKJSOALO-ZWNMCFTASA-N 2 2 248.330 0.737 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N(C)[C@H](C)C[NH3+] ZINC000493846381 529549874 /nfs/dbraw/zinc/54/98/74/529549874.db2.gz OKHBZLKQFFCJSO-BRAIEQGRSA-N 2 2 236.319 0.722 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2ccncc2)C1 ZINC000351856988 136258688 /nfs/dbraw/zinc/25/86/88/136258688.db2.gz AIEPKLYKDATBMW-MNOVXSKESA-N 2 2 248.330 0.111 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2ccncc2)C1 ZINC000351856988 136258689 /nfs/dbraw/zinc/25/86/89/136258689.db2.gz AIEPKLYKDATBMW-MNOVXSKESA-N 2 2 248.330 0.111 20 0 BCADLP COC(=O)[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000602765949 349721926 /nfs/dbraw/zinc/72/19/26/349721926.db2.gz NFGIGLLNWCIGNG-SNVBAGLBSA-N 2 2 237.303 0.458 20 0 BCADLP COC(=O)[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000602765949 349721929 /nfs/dbraw/zinc/72/19/29/349721929.db2.gz NFGIGLLNWCIGNG-SNVBAGLBSA-N 2 2 237.303 0.458 20 0 BCADLP CCn1cc[nH+]c1CNC(=O)/C=C/C[NH+](C)C ZINC000493125529 529569303 /nfs/dbraw/zinc/56/93/03/529569303.db2.gz XWLZTVOIZHXMIQ-AATRIKPKSA-N 2 2 236.319 0.637 20 0 BCADLP CC[C@](C)([NH2+]CCc1c[nH+]cn1C)C(=O)OC ZINC000602798302 349738835 /nfs/dbraw/zinc/73/88/35/349738835.db2.gz JVIMGOLCWLJMIE-LBPRGKRZSA-N 2 2 239.319 0.894 20 0 BCADLP COC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531579 343008944 /nfs/dbraw/zinc/00/89/44/343008944.db2.gz WXQJOVLFQPEXRP-RKDXNWHRSA-N 2 2 200.282 0.219 20 0 BCADLP COC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531579 343008947 /nfs/dbraw/zinc/00/89/47/343008947.db2.gz WXQJOVLFQPEXRP-RKDXNWHRSA-N 2 2 200.282 0.219 20 0 BCADLP Cc1cc(NC(=O)[C@@H]2C[NH2+]CCO2)cc[nH+]1 ZINC000086114035 259340434 /nfs/dbraw/zinc/34/04/34/259340434.db2.gz SRRFMCWYYQAVPW-JTQLQIEISA-N 2 2 221.260 0.317 20 0 BCADLP CC(C)[C@@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000082668962 167382361 /nfs/dbraw/zinc/38/23/61/167382361.db2.gz LROYDUMCJJSZRO-NEPJUHHUSA-N 2 2 213.369 0.866 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000309459295 259343533 /nfs/dbraw/zinc/34/35/33/259343533.db2.gz OKCQHZOKKRKDKZ-RNFRBKRXSA-N 2 2 208.265 0.586 20 0 BCADLP CC(=O)N1CCC([NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000035010253 358452257 /nfs/dbraw/zinc/45/22/57/358452257.db2.gz NRZCJDNWBRWRCO-UHFFFAOYSA-N 2 2 241.379 0.927 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)[C@H]1CCCC[NH2+]1 ZINC000386458411 343065133 /nfs/dbraw/zinc/06/51/33/343065133.db2.gz OXMSGYLECSQJHU-HBNTYKKESA-N 2 2 225.336 0.337 20 0 BCADLP CO[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000623837582 343087825 /nfs/dbraw/zinc/08/78/25/343087825.db2.gz KVAPCNRUMWZTLZ-RWMBFGLXSA-N 2 2 242.363 0.600 20 0 BCADLP CO[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000623837582 343087827 /nfs/dbraw/zinc/08/78/27/343087827.db2.gz KVAPCNRUMWZTLZ-RWMBFGLXSA-N 2 2 242.363 0.600 20 0 BCADLP CO[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000623837581 343088157 /nfs/dbraw/zinc/08/81/57/343088157.db2.gz KVAPCNRUMWZTLZ-FRRDWIJNSA-N 2 2 242.363 0.600 20 0 BCADLP CO[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000623837581 343088159 /nfs/dbraw/zinc/08/81/59/343088159.db2.gz KVAPCNRUMWZTLZ-FRRDWIJNSA-N 2 2 242.363 0.600 20 0 BCADLP CCOC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402795684 343111461 /nfs/dbraw/zinc/11/14/61/343111461.db2.gz IWVIYCJIACSREH-MDZLAQPJSA-N 2 2 240.347 0.999 20 0 BCADLP CCOC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402795684 343111464 /nfs/dbraw/zinc/11/14/64/343111464.db2.gz IWVIYCJIACSREH-MDZLAQPJSA-N 2 2 240.347 0.999 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000092951096 343149017 /nfs/dbraw/zinc/14/90/17/343149017.db2.gz VEPHQEBYCFZSKV-WDEREUQCSA-N 2 2 236.319 0.387 20 0 BCADLP C[N@@H+]1CCN(C(=O)CC2CCCC2)[C@H](C[NH3+])C1 ZINC000120774086 343133601 /nfs/dbraw/zinc/13/36/01/343133601.db2.gz AAFBEWSCEVVRMS-GFCCVEGCSA-N 2 2 239.363 0.668 20 0 BCADLP C[N@H+]1CCN(C(=O)CC2CCCC2)[C@H](C[NH3+])C1 ZINC000120774086 343133603 /nfs/dbraw/zinc/13/36/03/343133603.db2.gz AAFBEWSCEVVRMS-GFCCVEGCSA-N 2 2 239.363 0.668 20 0 BCADLP Cn1c[nH+]cc1CNC[C@H](C1CC1)[NH+](C)C ZINC000237024665 136272042 /nfs/dbraw/zinc/27/20/42/136272042.db2.gz OLVJYPLBDRSETA-GFCCVEGCSA-N 2 2 222.336 0.850 20 0 BCADLP C[N@@H+]1CCN(C(=O)NC2CCCC2)[C@H](C[NH3+])C1 ZINC000122663084 343161219 /nfs/dbraw/zinc/16/12/19/343161219.db2.gz ABVDXGYAJMFIOZ-LLVKDONJSA-N 2 2 240.351 0.213 20 0 BCADLP C[N@H+]1CCN(C(=O)NC2CCCC2)[C@H](C[NH3+])C1 ZINC000122663084 343161221 /nfs/dbraw/zinc/16/12/21/343161221.db2.gz ABVDXGYAJMFIOZ-LLVKDONJSA-N 2 2 240.351 0.213 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CCCCC1 ZINC000124599817 343163111 /nfs/dbraw/zinc/16/31/11/343163111.db2.gz VAAPDYJQGXXKMH-RYUDHWBXSA-N 2 2 239.363 0.811 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CCCCC1 ZINC000124599817 343163112 /nfs/dbraw/zinc/16/31/12/343163112.db2.gz VAAPDYJQGXXKMH-RYUDHWBXSA-N 2 2 239.363 0.811 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccn(C)n2)C1 ZINC000123779933 343165749 /nfs/dbraw/zinc/16/57/49/343165749.db2.gz PWZCXSIXPDDZPN-WDEREUQCSA-N 2 2 222.336 0.979 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccn(C)n2)C1 ZINC000123779933 343165750 /nfs/dbraw/zinc/16/57/50/343165750.db2.gz PWZCXSIXPDDZPN-WDEREUQCSA-N 2 2 222.336 0.979 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccn(C)n1 ZINC000123998534 343166683 /nfs/dbraw/zinc/16/66/83/343166683.db2.gz VFXUXLSBNKPFHJ-VHSXEESVSA-N 2 2 208.309 0.732 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccn(C)n1 ZINC000123998534 343166685 /nfs/dbraw/zinc/16/66/85/343166685.db2.gz VFXUXLSBNKPFHJ-VHSXEESVSA-N 2 2 208.309 0.732 20 0 BCADLP CO[C@@H]1CC[N@H+](CCCF)[C@H](C[NH3+])C1 ZINC000159323715 343201802 /nfs/dbraw/zinc/20/18/02/343201802.db2.gz QOZAQORMZCDYCW-VHSXEESVSA-N 2 2 204.289 0.784 20 0 BCADLP CO[C@@H]1CC[N@@H+](CCCF)[C@H](C[NH3+])C1 ZINC000159323715 343201803 /nfs/dbraw/zinc/20/18/03/343201803.db2.gz QOZAQORMZCDYCW-VHSXEESVSA-N 2 2 204.289 0.784 20 0 BCADLP CC(C)C[C@H](CO)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336767315 136276242 /nfs/dbraw/zinc/27/62/42/136276242.db2.gz SXTNGWLDVQRKCE-UTUOFQBUSA-N 2 2 214.353 0.933 20 0 BCADLP CC(C)C[C@H](CO)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336767315 136276243 /nfs/dbraw/zinc/27/62/43/136276243.db2.gz SXTNGWLDVQRKCE-UTUOFQBUSA-N 2 2 214.353 0.933 20 0 BCADLP c1ccn2c(c1)nnc2C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000132028030 343187141 /nfs/dbraw/zinc/18/71/41/343187141.db2.gz OFBZHDJSFRYKNN-NSHDSACASA-N 2 2 245.330 0.819 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC000133602795 343190827 /nfs/dbraw/zinc/19/08/27/343190827.db2.gz YHGDNDXDQWRXFC-ZJUUUORDSA-N 2 2 225.336 0.419 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N(C)C1CC1 ZINC000133602795 343190829 /nfs/dbraw/zinc/19/08/29/343190829.db2.gz YHGDNDXDQWRXFC-ZJUUUORDSA-N 2 2 225.336 0.419 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NC1CC1 ZINC000133596619 343190914 /nfs/dbraw/zinc/19/09/14/343190914.db2.gz WNCUZTMMGWPLRY-RKDXNWHRSA-N 2 2 211.309 0.077 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NC1CC1 ZINC000133596619 343190916 /nfs/dbraw/zinc/19/09/16/343190916.db2.gz WNCUZTMMGWPLRY-RKDXNWHRSA-N 2 2 211.309 0.077 20 0 BCADLP CC[N@H+](C)CCNc1nc[nH+]c(N)c1OC ZINC000134879608 343191858 /nfs/dbraw/zinc/19/18/58/343191858.db2.gz UPOYSPQCSPTJNM-UHFFFAOYSA-N 2 2 225.296 0.431 20 0 BCADLP CC[N@@H+](C)CCNc1nc[nH+]c(N)c1OC ZINC000134879608 343191860 /nfs/dbraw/zinc/19/18/60/343191860.db2.gz UPOYSPQCSPTJNM-UHFFFAOYSA-N 2 2 225.296 0.431 20 0 BCADLP CC[N@H+](C[C@@H]1CCCO1)C[C@@H]1C[NH2+]CCO1 ZINC000043802679 488208536 /nfs/dbraw/zinc/20/85/36/488208536.db2.gz NEYZOPKYPVYAFT-RYUDHWBXSA-N 2 2 228.336 0.476 20 0 BCADLP CC[N@@H+](C[C@@H]1CCCO1)C[C@@H]1C[NH2+]CCO1 ZINC000043802679 488208539 /nfs/dbraw/zinc/20/85/39/488208539.db2.gz NEYZOPKYPVYAFT-RYUDHWBXSA-N 2 2 228.336 0.476 20 0 BCADLP Cn1nccc1CC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000634687882 343245569 /nfs/dbraw/zinc/24/55/69/343245569.db2.gz BTMIJNHMQQLXDX-YPMHNXCESA-N 2 2 234.347 0.646 20 0 BCADLP Cn1nccc1CC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000634687882 343245570 /nfs/dbraw/zinc/24/55/70/343245570.db2.gz BTMIJNHMQQLXDX-YPMHNXCESA-N 2 2 234.347 0.646 20 0 BCADLP Cn1c[nH+]cc1CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000121345922 343266885 /nfs/dbraw/zinc/26/68/85/343266885.db2.gz YRCHNAWUVCYEJT-LLVKDONJSA-N 2 2 236.319 0.173 20 0 BCADLP [NH3+]CCCCc1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641035554 362147599 /nfs/dbraw/zinc/14/75/99/362147599.db2.gz OQTRJISIQQPISU-UHFFFAOYSA-N 2 2 220.280 0.331 20 0 BCADLP CC[C@H](C(=O)NCCc1c[nH+]cn1C)[NH+](C)C ZINC000121613240 343268450 /nfs/dbraw/zinc/26/84/50/343268450.db2.gz WATSPIZMEPVYTD-LLVKDONJSA-N 2 2 238.335 0.419 20 0 BCADLP CC(C)[C@H]([NH3+])c1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641035733 362147914 /nfs/dbraw/zinc/14/79/14/362147914.db2.gz XOZMBPZIEAXGEL-JTQLQIEISA-N 2 2 220.280 0.705 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CSC[NH2+]1 ZINC000036999442 343329976 /nfs/dbraw/zinc/32/99/76/343329976.db2.gz ZYCAHAFCGVRKOU-RKDXNWHRSA-N 2 2 240.332 0.050 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000036999326 343330187 /nfs/dbraw/zinc/33/01/87/343330187.db2.gz UUBZKABRNUJYIQ-MNOVXSKESA-N 2 2 236.319 0.387 20 0 BCADLP Cn1c[nH+]c(Cn2cc(CCCC[NH3+])nn2)c1 ZINC000641053142 362162541 /nfs/dbraw/zinc/16/25/41/362162541.db2.gz ARRPFBXLRKLSQD-UHFFFAOYSA-N 2 2 234.307 0.341 20 0 BCADLP C[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)C[C@@H]1CO ZINC000621373263 343313902 /nfs/dbraw/zinc/31/39/02/343313902.db2.gz FQHOFJOSUFRVMC-VXGBXAGGSA-N 2 2 237.347 0.913 20 0 BCADLP C[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)C[C@@H]1CO ZINC000621373263 343313903 /nfs/dbraw/zinc/31/39/03/343313903.db2.gz FQHOFJOSUFRVMC-VXGBXAGGSA-N 2 2 237.347 0.913 20 0 BCADLP C[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C[C@@H]1CO ZINC000621373261 343314000 /nfs/dbraw/zinc/31/40/00/343314000.db2.gz FQHOFJOSUFRVMC-NWDGAFQWSA-N 2 2 237.347 0.913 20 0 BCADLP C[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)C[C@@H]1CO ZINC000621373261 343314002 /nfs/dbraw/zinc/31/40/02/343314002.db2.gz FQHOFJOSUFRVMC-NWDGAFQWSA-N 2 2 237.347 0.913 20 0 BCADLP COCC[N@H+](C)CC[NH2+]CC1(C)COC1 ZINC000070617514 343335465 /nfs/dbraw/zinc/33/54/65/343335465.db2.gz HHOZEAHHNORDID-UHFFFAOYSA-N 2 2 216.325 0.191 20 0 BCADLP COCC[N@@H+](C)CC[NH2+]CC1(C)COC1 ZINC000070617514 343335467 /nfs/dbraw/zinc/33/54/67/343335467.db2.gz HHOZEAHHNORDID-UHFFFAOYSA-N 2 2 216.325 0.191 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CC[NH+](C)CC1 ZINC000037157186 343337496 /nfs/dbraw/zinc/33/74/96/343337496.db2.gz HLQDKCLBQXUXNU-LLVKDONJSA-N 3 2 222.336 0.955 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000335677355 136318964 /nfs/dbraw/zinc/31/89/64/136318964.db2.gz LMJACIZRSHUQJC-QWRGUYRKSA-N 2 2 222.336 0.947 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000335677355 136318965 /nfs/dbraw/zinc/31/89/65/136318965.db2.gz LMJACIZRSHUQJC-QWRGUYRKSA-N 2 2 222.336 0.947 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c[nH+]1 ZINC000335658779 136307436 /nfs/dbraw/zinc/30/74/36/136307436.db2.gz XNLUQOINVSHAQZ-VXNVDRBHSA-N 2 2 222.292 0.446 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c[nH+]1 ZINC000335658777 136307558 /nfs/dbraw/zinc/30/75/58/136307558.db2.gz XNLUQOINVSHAQZ-CBAPKCEASA-N 2 2 222.292 0.446 20 0 BCADLP Cn1nccc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000335640856 136308653 /nfs/dbraw/zinc/30/86/53/136308653.db2.gz BLTXEZOUWCWOGT-JTQLQIEISA-N 2 2 208.309 0.652 20 0 BCADLP Cc1c[nH+]c(CN2CC[C@H]([NH+](C)C)C2)n1C ZINC000349008387 136316609 /nfs/dbraw/zinc/31/66/09/136316609.db2.gz OGRUITAQMGEGJH-NSHDSACASA-N 2 2 222.336 0.864 20 0 BCADLP O=C(CCn1cc[nH+]c1)NCC[NH+]1CCCC1 ZINC000349080929 136322559 /nfs/dbraw/zinc/32/25/59/136322559.db2.gz MEENRFHBZXAPJA-UHFFFAOYSA-N 2 2 236.319 0.485 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000349189140 136330929 /nfs/dbraw/zinc/33/09/29/136330929.db2.gz FEWZOYQLRVOSCX-CHWSQXEVSA-N 3 2 243.395 0.494 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000349189140 136330930 /nfs/dbraw/zinc/33/09/30/136330930.db2.gz FEWZOYQLRVOSCX-CHWSQXEVSA-N 3 2 243.395 0.494 20 0 BCADLP c1cn(CC[NH2+]C[C@H]2CCCOC2)c[nH+]1 ZINC000082581147 343452240 /nfs/dbraw/zinc/45/22/40/343452240.db2.gz OFOZOBAWAXMDRW-LLVKDONJSA-N 2 2 209.293 0.899 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH+](C)C ZINC000616488923 343474692 /nfs/dbraw/zinc/47/46/92/343474692.db2.gz DCSVLHMUQRJTIH-QMMMGPOBSA-N 2 2 224.308 0.327 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@H](C)[NH+](C)C ZINC000616488923 343474694 /nfs/dbraw/zinc/47/46/94/343474694.db2.gz DCSVLHMUQRJTIH-QMMMGPOBSA-N 2 2 224.308 0.327 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H]1C ZINC000310403952 343484348 /nfs/dbraw/zinc/48/43/48/343484348.db2.gz NSZZIXOXXMHXHC-XQQFMLRXSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H]1C ZINC000310403952 343484349 /nfs/dbraw/zinc/48/43/49/343484349.db2.gz NSZZIXOXXMHXHC-XQQFMLRXSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@H]1C ZINC000310403952 343484352 /nfs/dbraw/zinc/48/43/52/343484352.db2.gz NSZZIXOXXMHXHC-XQQFMLRXSA-N 2 2 244.379 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@H]1C ZINC000310403952 343484354 /nfs/dbraw/zinc/48/43/54/343484354.db2.gz NSZZIXOXXMHXHC-XQQFMLRXSA-N 2 2 244.379 0.656 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCSC1 ZINC000379937752 365749079 /nfs/dbraw/zinc/74/90/79/365749079.db2.gz XXOCXAQBLFSQLC-QWRGUYRKSA-N 2 2 232.393 0.736 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCSC1 ZINC000379937752 365749083 /nfs/dbraw/zinc/74/90/83/365749083.db2.gz XXOCXAQBLFSQLC-QWRGUYRKSA-N 2 2 232.393 0.736 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCSC1 ZINC000379937752 365749090 /nfs/dbraw/zinc/74/90/90/365749090.db2.gz XXOCXAQBLFSQLC-QWRGUYRKSA-N 2 2 232.393 0.736 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCSC1 ZINC000379937752 365749094 /nfs/dbraw/zinc/74/90/94/365749094.db2.gz XXOCXAQBLFSQLC-QWRGUYRKSA-N 2 2 232.393 0.736 20 0 BCADLP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000310564995 343537641 /nfs/dbraw/zinc/53/76/41/343537641.db2.gz XCYLXCRGNZBMOJ-JHJVBQTASA-N 2 2 244.379 0.798 20 0 BCADLP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000310564995 343537643 /nfs/dbraw/zinc/53/76/43/343537643.db2.gz XCYLXCRGNZBMOJ-JHJVBQTASA-N 2 2 244.379 0.798 20 0 BCADLP CC[C@@H]1CO[C@H](C)C[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000310564995 343537644 /nfs/dbraw/zinc/53/76/44/343537644.db2.gz XCYLXCRGNZBMOJ-JHJVBQTASA-N 2 2 244.379 0.798 20 0 BCADLP CC[C@@H]1CO[C@H](C)C[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000310564995 343537645 /nfs/dbraw/zinc/53/76/45/343537645.db2.gz XCYLXCRGNZBMOJ-JHJVBQTASA-N 2 2 244.379 0.798 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000379711910 343604421 /nfs/dbraw/zinc/60/44/21/343604421.db2.gz AAJAEAQMYDMRNZ-LLVKDONJSA-N 2 2 216.325 0.021 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000379711910 343604422 /nfs/dbraw/zinc/60/44/22/343604422.db2.gz AAJAEAQMYDMRNZ-LLVKDONJSA-N 2 2 216.325 0.021 20 0 BCADLP O[C@H](C[NH2+]CC1(F)CC1)C[NH+]1CCCC1 ZINC000380000817 365790763 /nfs/dbraw/zinc/79/07/63/365790763.db2.gz MNLAAPQPWFOWTE-SNVBAGLBSA-N 2 2 216.300 0.535 20 0 BCADLP CCC[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624333029 343716269 /nfs/dbraw/zinc/71/62/69/343716269.db2.gz GRAZIIMXODWFRP-QWRGUYRKSA-N 2 2 200.326 0.831 20 0 BCADLP CCC[C@H](C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624333029 343716270 /nfs/dbraw/zinc/71/62/70/343716270.db2.gz GRAZIIMXODWFRP-QWRGUYRKSA-N 2 2 200.326 0.831 20 0 BCADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)[C@@H]1CCOC1 ZINC000624335609 343718290 /nfs/dbraw/zinc/71/82/90/343718290.db2.gz WGELKLYGHXEOJL-TUAOUCFPSA-N 2 2 228.336 0.068 20 0 BCADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)[C@@H]1CCOC1 ZINC000624335609 343718292 /nfs/dbraw/zinc/71/82/92/343718292.db2.gz WGELKLYGHXEOJL-TUAOUCFPSA-N 2 2 228.336 0.068 20 0 BCADLP CN(CC[NH+]1CCCC1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493353180 529907853 /nfs/dbraw/zinc/90/78/53/529907853.db2.gz NPFUGRVMKFWRPG-SNAWJCMRSA-N 2 2 248.330 0.977 20 0 BCADLP C[N@H+](CCNC(=O)/C=C/c1[nH]cc[nH+]1)C1CC1 ZINC000493673047 529912332 /nfs/dbraw/zinc/91/23/32/529912332.db2.gz KCYRJVQYMOBTSA-SNAWJCMRSA-N 2 2 234.303 0.633 20 0 BCADLP C[N@@H+](CCNC(=O)/C=C/c1[nH]cc[nH+]1)C1CC1 ZINC000493673047 529912333 /nfs/dbraw/zinc/91/23/33/529912333.db2.gz KCYRJVQYMOBTSA-SNAWJCMRSA-N 2 2 234.303 0.633 20 0 BCADLP Cn1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)nn1 ZINC000328647964 537838512 /nfs/dbraw/zinc/83/85/12/537838512.db2.gz IEWRYULBXZDOPT-GFCCVEGCSA-N 2 2 246.318 0.676 20 0 BCADLP Cn1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)nn1 ZINC000328647964 537838519 /nfs/dbraw/zinc/83/85/19/537838519.db2.gz IEWRYULBXZDOPT-GFCCVEGCSA-N 2 2 246.318 0.676 20 0 BCADLP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CCCNC3=O)C2)C1 ZINC000335919066 344087104 /nfs/dbraw/zinc/08/71/04/344087104.db2.gz JMSNNJNSAVCJAK-AAEUAGOBSA-N 2 2 237.347 0.293 20 0 BCADLP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCCNC3=O)C2)C1 ZINC000335919066 344087105 /nfs/dbraw/zinc/08/71/05/344087105.db2.gz JMSNNJNSAVCJAK-AAEUAGOBSA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCCNC3=O)C2)C1 ZINC000335919066 344087107 /nfs/dbraw/zinc/08/71/07/344087107.db2.gz JMSNNJNSAVCJAK-AAEUAGOBSA-N 2 2 237.347 0.293 20 0 BCADLP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCCNC3=O)C2)C1 ZINC000335919066 344087109 /nfs/dbraw/zinc/08/71/09/344087109.db2.gz JMSNNJNSAVCJAK-AAEUAGOBSA-N 2 2 237.347 0.293 20 0 BCADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1csnn1)CC2 ZINC000381196433 344173718 /nfs/dbraw/zinc/17/37/18/344173718.db2.gz AGXGJAGBNQKRTM-QMMMGPOBSA-N 2 2 235.316 0.839 20 0 BCADLP OCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080961545 344135540 /nfs/dbraw/zinc/13/55/40/344135540.db2.gz QFMRZTSSZISKIV-SNVBAGLBSA-N 2 2 209.293 0.972 20 0 BCADLP OCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080961545 344135542 /nfs/dbraw/zinc/13/55/42/344135542.db2.gz QFMRZTSSZISKIV-SNVBAGLBSA-N 2 2 209.293 0.972 20 0 BCADLP [NH3+][C@@H]1CC[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000381187084 344135957 /nfs/dbraw/zinc/13/59/57/344135957.db2.gz XTXZORWVZJICRM-GHMZBOCLSA-N 2 2 214.309 0.215 20 0 BCADLP [NH3+][C@@H]1CC[N@@H+](CCOC[C@H]2CCCO2)C1 ZINC000381187084 344135959 /nfs/dbraw/zinc/13/59/59/344135959.db2.gz XTXZORWVZJICRM-GHMZBOCLSA-N 2 2 214.309 0.215 20 0 BCADLP CC[C@@H]([NH3+])C(=O)NCc1[nH+]ccn1CC(C)C ZINC000130551184 344146979 /nfs/dbraw/zinc/14/69/79/344146979.db2.gz UHBUMPGDVDTNCS-SNVBAGLBSA-N 2 2 238.335 0.893 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cncn1C ZINC000133616014 344320109 /nfs/dbraw/zinc/32/01/09/344320109.db2.gz OIKMTPBXSKEHBU-NXEZZACHSA-N 2 2 208.309 0.732 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cncn1C ZINC000133616014 344320110 /nfs/dbraw/zinc/32/01/10/344320110.db2.gz OIKMTPBXSKEHBU-NXEZZACHSA-N 2 2 208.309 0.732 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CCN1Cc1c[nH+]cn1C ZINC000133616014 344320111 /nfs/dbraw/zinc/32/01/11/344320111.db2.gz OIKMTPBXSKEHBU-NXEZZACHSA-N 2 2 208.309 0.732 20 0 BCADLP C[NH2+]Cc1noc(C[C@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000570800430 323071084 /nfs/dbraw/zinc/07/10/84/323071084.db2.gz OTPDCCIRUSROEQ-VHSXEESVSA-N 2 2 238.335 0.967 20 0 BCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000093177425 344310168 /nfs/dbraw/zinc/31/01/68/344310168.db2.gz ZBRWDEPDHRDWNM-UHFFFAOYSA-N 2 2 239.363 0.492 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866292 344431487 /nfs/dbraw/zinc/43/14/87/344431487.db2.gz YDAFJGHUTLTTHT-BDAKNGLRSA-N 2 2 222.292 0.083 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866292 344431489 /nfs/dbraw/zinc/43/14/89/344431489.db2.gz YDAFJGHUTLTTHT-BDAKNGLRSA-N 2 2 222.292 0.083 20 0 BCADLP Cc1cc(C)n(CC[N@H+]2C[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000385208770 344376464 /nfs/dbraw/zinc/37/64/64/344376464.db2.gz CZKPFHGVXSCNHT-JQWIXIFHSA-N 2 2 222.336 0.921 20 0 BCADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000385208770 344376466 /nfs/dbraw/zinc/37/64/66/344376466.db2.gz CZKPFHGVXSCNHT-JQWIXIFHSA-N 2 2 222.336 0.921 20 0 BCADLP COCCOCC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000385227398 344378902 /nfs/dbraw/zinc/37/89/02/344378902.db2.gz IHJNWOAZYKLULL-ZJUUUORDSA-N 2 2 202.298 0.071 20 0 BCADLP COCCOCC[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000385227398 344378903 /nfs/dbraw/zinc/37/89/03/344378903.db2.gz IHJNWOAZYKLULL-ZJUUUORDSA-N 2 2 202.298 0.071 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000634812663 344397066 /nfs/dbraw/zinc/39/70/66/344397066.db2.gz OAEWABWYJWZEAL-JGVFFNPUSA-N 2 2 235.291 0.443 20 0 BCADLP C[NH+](C)CC(C)(C)NC(=O)Cn1cc[nH+]c1 ZINC000584296778 344436525 /nfs/dbraw/zinc/43/65/25/344436525.db2.gz IKDQOITXFUNFBP-UHFFFAOYSA-N 2 2 224.308 0.340 20 0 BCADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H](O)C1 ZINC000042470385 344455923 /nfs/dbraw/zinc/45/59/23/344455923.db2.gz KGLBOWBLYOFLJK-JTQLQIEISA-N 2 2 200.326 0.831 20 0 BCADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H](O)C1 ZINC000042470385 344455926 /nfs/dbraw/zinc/45/59/26/344455926.db2.gz KGLBOWBLYOFLJK-JTQLQIEISA-N 2 2 200.326 0.831 20 0 BCADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)CC(N)=O ZINC000309953415 344478208 /nfs/dbraw/zinc/47/82/08/344478208.db2.gz HEOCXEGGOFUSAU-MNOVXSKESA-N 2 2 227.352 0.714 20 0 BCADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)CC(N)=O ZINC000309953415 344478209 /nfs/dbraw/zinc/47/82/09/344478209.db2.gz HEOCXEGGOFUSAU-MNOVXSKESA-N 2 2 227.352 0.714 20 0 BCADLP CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC([NH2+]C)CC1 ZINC000037536905 344550457 /nfs/dbraw/zinc/55/04/57/344550457.db2.gz XEUDQKLYRFKZIA-GHMZBOCLSA-N 2 2 241.379 0.973 20 0 BCADLP CCCCOCC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000049261724 344601526 /nfs/dbraw/zinc/60/15/26/344601526.db2.gz LOBWBOKUVUXIIA-LLVKDONJSA-N 2 2 216.325 0.463 20 0 BCADLP CCCCOCC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000049261724 344601528 /nfs/dbraw/zinc/60/15/28/344601528.db2.gz LOBWBOKUVUXIIA-LLVKDONJSA-N 2 2 216.325 0.463 20 0 BCADLP C[C@H](N[C@H]1C[N@H+](C)C[C@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000678602076 488270346 /nfs/dbraw/zinc/27/03/46/488270346.db2.gz SHZLPDUCRMYDQP-VOAKCMCISA-N 2 2 241.379 0.245 20 0 BCADLP C[C@H](N[C@H]1C[N@@H+](C)C[C@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000678602076 488270347 /nfs/dbraw/zinc/27/03/47/488270347.db2.gz SHZLPDUCRMYDQP-VOAKCMCISA-N 2 2 241.379 0.245 20 0 BCADLP C[C@H](N[C@H]1C[NH+](C)C[C@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000678602076 488270349 /nfs/dbraw/zinc/27/03/49/488270349.db2.gz SHZLPDUCRMYDQP-VOAKCMCISA-N 2 2 241.379 0.245 20 0 BCADLP C[C@H](N[C@H]1C[NH+](C)C[C@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000678602076 488270350 /nfs/dbraw/zinc/27/03/50/488270350.db2.gz SHZLPDUCRMYDQP-VOAKCMCISA-N 2 2 241.379 0.245 20 0 BCADLP C[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000082303486 344729161 /nfs/dbraw/zinc/72/91/61/344729161.db2.gz OCDWEEBQQFPFBS-LLVKDONJSA-N 2 2 225.336 0.245 20 0 BCADLP C[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000082303486 344729164 /nfs/dbraw/zinc/72/91/64/344729164.db2.gz OCDWEEBQQFPFBS-LLVKDONJSA-N 2 2 225.336 0.245 20 0 BCADLP C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000082303484 344729305 /nfs/dbraw/zinc/72/93/05/344729305.db2.gz OCDWEEBQQFPFBS-NSHDSACASA-N 2 2 225.336 0.245 20 0 BCADLP C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000082303484 344729306 /nfs/dbraw/zinc/72/93/06/344729306.db2.gz OCDWEEBQQFPFBS-NSHDSACASA-N 2 2 225.336 0.245 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000291259087 537858614 /nfs/dbraw/zinc/85/86/14/537858614.db2.gz PJJJGWZFHQNTNX-GFCCVEGCSA-N 2 2 248.330 0.663 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000291259087 537858619 /nfs/dbraw/zinc/85/86/19/537858619.db2.gz PJJJGWZFHQNTNX-GFCCVEGCSA-N 2 2 248.330 0.663 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000400543081 530070414 /nfs/dbraw/zinc/07/04/14/530070414.db2.gz GKBUIZOZRJTQLC-STQMWFEESA-N 2 2 241.379 0.248 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000400543081 530070415 /nfs/dbraw/zinc/07/04/15/530070415.db2.gz GKBUIZOZRJTQLC-STQMWFEESA-N 2 2 241.379 0.248 20 0 BCADLP Cn1c[nH+]c(CSC[C@H]2C[N@H+](C)CCO2)c1 ZINC000603341484 349918937 /nfs/dbraw/zinc/91/89/37/349918937.db2.gz DJLLCJYESFXSPH-LLVKDONJSA-N 2 2 241.360 0.984 20 0 BCADLP Cn1c[nH+]c(CSC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000603341484 349918940 /nfs/dbraw/zinc/91/89/40/349918940.db2.gz DJLLCJYESFXSPH-LLVKDONJSA-N 2 2 241.360 0.984 20 0 BCADLP CC[NH+]1CCN(CCn2cc[nH+]c2)CC1 ZINC000119185688 344841181 /nfs/dbraw/zinc/84/11/81/344841181.db2.gz RYMDKIKLLXAMLN-UHFFFAOYSA-N 2 2 208.309 0.521 20 0 BCADLP Cc1[nH]c(CN2C[C@H]3C[NH2+]C[C@H]3C2)[nH+]c1C ZINC000628191875 344945623 /nfs/dbraw/zinc/94/56/23/344945623.db2.gz YBQKEGYCHWGUCL-PHIMTYICSA-N 2 2 220.320 0.678 20 0 BCADLP CCn1cc([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)cn1 ZINC000154325186 345024913 /nfs/dbraw/zinc/02/49/13/345024913.db2.gz CGECPWLVMJIFPB-JQWIXIFHSA-N 2 2 240.351 0.476 20 0 BCADLP CC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000162602369 345116236 /nfs/dbraw/zinc/11/62/36/345116236.db2.gz ZENHJIDROXTYSW-GMTAPVOTSA-N 2 2 212.337 0.972 20 0 BCADLP CC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000162602369 345116237 /nfs/dbraw/zinc/11/62/37/345116237.db2.gz ZENHJIDROXTYSW-GMTAPVOTSA-N 2 2 212.337 0.972 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000156072236 345122946 /nfs/dbraw/zinc/12/29/46/345122946.db2.gz JIHUBZGMNZPTHX-GHMZBOCLSA-N 2 2 227.352 0.347 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000156072236 345122948 /nfs/dbraw/zinc/12/29/48/345122948.db2.gz JIHUBZGMNZPTHX-GHMZBOCLSA-N 2 2 227.352 0.347 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@H+](C)C1CC[NH2+]CC1 ZINC000634991275 345173948 /nfs/dbraw/zinc/17/39/48/345173948.db2.gz XFJUPZUIWRLXMU-LLVKDONJSA-N 3 2 213.369 0.901 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@@H+](C)C1CC[NH2+]CC1 ZINC000634991275 345173950 /nfs/dbraw/zinc/17/39/50/345173950.db2.gz XFJUPZUIWRLXMU-LLVKDONJSA-N 3 2 213.369 0.901 20 0 BCADLP C[C@@]1(C[NH2+]CC23CC(C2)C[NH2+]3)CCC[NH2+]C1 ZINC000634995767 345185148 /nfs/dbraw/zinc/18/51/48/345185148.db2.gz OILKTODUXXWIAS-OTTFEQOBSA-N 3 2 223.364 0.718 20 0 BCADLP CCN(C)C(=O)[C@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634996889 345185791 /nfs/dbraw/zinc/18/57/91/345185791.db2.gz XUCGCDJHKXGTTC-BMQDGWLCSA-N 2 2 225.336 0.195 20 0 BCADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634961122 345135653 /nfs/dbraw/zinc/13/56/53/345135653.db2.gz LNQYXXNPHCZTFR-LBPRGKRZSA-N 2 2 241.379 0.977 20 0 BCADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634961122 345135654 /nfs/dbraw/zinc/13/56/54/345135654.db2.gz LNQYXXNPHCZTFR-LBPRGKRZSA-N 2 2 241.379 0.977 20 0 BCADLP CCn1ncnc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000126880001 345144717 /nfs/dbraw/zinc/14/47/17/345144717.db2.gz TYAZZRAIWIRBIY-UWVGGRQHSA-N 2 2 223.324 0.467 20 0 BCADLP CCn1ncnc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000126880001 345144723 /nfs/dbraw/zinc/14/47/23/345144723.db2.gz TYAZZRAIWIRBIY-UWVGGRQHSA-N 2 2 223.324 0.467 20 0 BCADLP C[C@H](O)C[N@H+](CC12CC(C1)C[NH2+]2)C1CC1 ZINC000634996486 345188244 /nfs/dbraw/zinc/18/82/44/345188244.db2.gz LIZPOQCYRKIHQE-BMQDGWLCSA-N 2 2 210.321 0.584 20 0 BCADLP C[C@H](O)C[N@@H+](CC12CC(C1)C[NH2+]2)C1CC1 ZINC000634996486 345188247 /nfs/dbraw/zinc/18/82/47/345188247.db2.gz LIZPOQCYRKIHQE-BMQDGWLCSA-N 2 2 210.321 0.584 20 0 BCADLP CC(C)[C@@H](C[NH3+])C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000634996578 345188584 /nfs/dbraw/zinc/18/85/84/345188584.db2.gz OIKGNHTWLUKEMF-RYUDHWBXSA-N 3 2 229.368 0.267 20 0 BCADLP CC(C)[C@@H](C[NH3+])C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000634996578 345188586 /nfs/dbraw/zinc/18/85/86/345188586.db2.gz OIKGNHTWLUKEMF-RYUDHWBXSA-N 3 2 229.368 0.267 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634980434 345158077 /nfs/dbraw/zinc/15/80/77/345158077.db2.gz FAUUXZMOLURMRT-UWVGGRQHSA-N 2 2 213.325 0.195 20 0 BCADLP CC[C@]1(CO)CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993947 345192906 /nfs/dbraw/zinc/19/29/06/345192906.db2.gz LKGPHHOZKUWDSA-WXRRBKDZSA-N 2 2 224.348 0.975 20 0 BCADLP CC[C@]1(CO)CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993947 345192908 /nfs/dbraw/zinc/19/29/08/345192908.db2.gz LKGPHHOZKUWDSA-WXRRBKDZSA-N 2 2 224.348 0.975 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000634994334 345193330 /nfs/dbraw/zinc/19/33/30/345193330.db2.gz ZLCIBMJFNQRSMX-YNEHKIRRSA-N 3 2 225.380 0.901 20 0 BCADLP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000634994334 345193331 /nfs/dbraw/zinc/19/33/31/345193331.db2.gz ZLCIBMJFNQRSMX-YNEHKIRRSA-N 3 2 225.380 0.901 20 0 BCADLP CCC[C@H](CCO)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000635003101 345205301 /nfs/dbraw/zinc/20/53/01/345205301.db2.gz FYYVAVJZWHSSMB-JHJVBQTASA-N 2 2 244.379 0.894 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCC1CCC1 ZINC000566569123 345219426 /nfs/dbraw/zinc/21/94/26/345219426.db2.gz ISEQXQDNILLSNJ-CMPLNLGQSA-N 2 2 239.363 0.714 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCC1CCC1 ZINC000566569123 345219428 /nfs/dbraw/zinc/21/94/28/345219428.db2.gz ISEQXQDNILLSNJ-CMPLNLGQSA-N 2 2 239.363 0.714 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)[NH+](C)C ZINC000635327551 345309364 /nfs/dbraw/zinc/30/93/64/345309364.db2.gz ZRRXPHWCYNGTBC-NXEZZACHSA-N 2 2 224.308 0.338 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158527520 345345629 /nfs/dbraw/zinc/34/56/29/345345629.db2.gz KCINCTNLYNWAIV-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158527520 345345631 /nfs/dbraw/zinc/34/56/31/345345631.db2.gz KCINCTNLYNWAIV-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP CCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158527520 345345635 /nfs/dbraw/zinc/34/56/35/345345635.db2.gz KCINCTNLYNWAIV-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP CCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158527520 345345637 /nfs/dbraw/zinc/34/56/37/345345637.db2.gz KCINCTNLYNWAIV-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP CC(C)C[C@H]([NH3+])C(=O)NCCc1[nH]cc[nH+]1 ZINC000158540528 345347084 /nfs/dbraw/zinc/34/70/84/345347084.db2.gz VQWQRGFATXPSED-VIFPVBQESA-N 2 2 224.308 0.442 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(=O)N(C)C ZINC000381353823 345452134 /nfs/dbraw/zinc/45/21/34/345452134.db2.gz CLMOQOKUPDTURS-GMTAPVOTSA-N 2 2 227.352 0.535 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)N(C)C ZINC000381353823 345452136 /nfs/dbraw/zinc/45/21/36/345452136.db2.gz CLMOQOKUPDTURS-GMTAPVOTSA-N 2 2 227.352 0.535 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCCn1cc[nH+]c1 ZINC000635528922 345437256 /nfs/dbraw/zinc/43/72/56/345437256.db2.gz XQDCXQJWZOHRIB-VHSXEESVSA-N 2 2 237.307 0.014 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635538107 345505533 /nfs/dbraw/zinc/50/55/33/345505533.db2.gz NICRRCSYOSGZIQ-SNVBAGLBSA-N 2 2 236.319 0.710 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635538107 345505535 /nfs/dbraw/zinc/50/55/35/345505535.db2.gz NICRRCSYOSGZIQ-SNVBAGLBSA-N 2 2 236.319 0.710 20 0 BCADLP CCOC[C@H](O)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000068951862 349932491 /nfs/dbraw/zinc/93/24/91/349932491.db2.gz YZULZPUCWQUODG-GHMZBOCLSA-N 2 2 227.308 0.259 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnnn2C)C1 ZINC000093770007 345664093 /nfs/dbraw/zinc/66/40/93/345664093.db2.gz FCXUKUVMPWFWLY-NSHDSACASA-N 2 2 237.351 0.589 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnnn2C)C1 ZINC000093770007 345664094 /nfs/dbraw/zinc/66/40/94/345664094.db2.gz FCXUKUVMPWFWLY-NSHDSACASA-N 2 2 237.351 0.589 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC000093770007 345664098 /nfs/dbraw/zinc/66/40/98/345664098.db2.gz FCXUKUVMPWFWLY-NSHDSACASA-N 2 2 237.351 0.589 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC000093770007 345664100 /nfs/dbraw/zinc/66/41/00/345664100.db2.gz FCXUKUVMPWFWLY-NSHDSACASA-N 2 2 237.351 0.589 20 0 BCADLP COC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000164850331 345738609 /nfs/dbraw/zinc/73/86/09/345738609.db2.gz XSINMRUSWRGOQH-MNOVXSKESA-N 2 2 226.320 0.623 20 0 BCADLP COC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000164850331 345738613 /nfs/dbraw/zinc/73/86/13/345738613.db2.gz XSINMRUSWRGOQH-MNOVXSKESA-N 2 2 226.320 0.623 20 0 BCADLP C[NH+](C)C1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000135049981 345761756 /nfs/dbraw/zinc/76/17/56/345761756.db2.gz YBBAWHYCNXCKJM-JTQLQIEISA-N 2 2 248.330 0.218 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCOC[C@@H]1CCCO1 ZINC000563154745 323095662 /nfs/dbraw/zinc/09/56/62/323095662.db2.gz VKIAIFGQQVCVQX-STQMWFEESA-N 2 2 242.363 0.866 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCOC[C@@H]1CCCO1 ZINC000563154745 323095663 /nfs/dbraw/zinc/09/56/63/323095663.db2.gz VKIAIFGQQVCVQX-STQMWFEESA-N 2 2 242.363 0.866 20 0 BCADLP C[NH+](C)CCCNC(=O)CCn1cc[nH+]c1 ZINC000143103782 345891186 /nfs/dbraw/zinc/89/11/86/345891186.db2.gz HQHRISJTFJRWOK-UHFFFAOYSA-N 2 2 224.308 0.341 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)[NH+](C)C ZINC000635637332 345912066 /nfs/dbraw/zinc/91/20/66/345912066.db2.gz JUWLLXLHFQOZSY-MRVPVSSYSA-N 2 2 210.281 0.284 20 0 BCADLP CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635641956 345914938 /nfs/dbraw/zinc/91/49/38/345914938.db2.gz XVFSWSOGJARPNP-NXEZZACHSA-N 2 2 236.319 0.533 20 0 BCADLP CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635641956 345914940 /nfs/dbraw/zinc/91/49/40/345914940.db2.gz XVFSWSOGJARPNP-NXEZZACHSA-N 2 2 236.319 0.533 20 0 BCADLP C[C@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C)[NH+](C)C ZINC000635762775 346052446 /nfs/dbraw/zinc/05/24/46/346052446.db2.gz QPMSBYNXPYIDIV-GMTAPVOTSA-N 2 2 227.352 0.488 20 0 BCADLP C[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C)[NH+](C)C ZINC000635762775 346052447 /nfs/dbraw/zinc/05/24/47/346052447.db2.gz QPMSBYNXPYIDIV-GMTAPVOTSA-N 2 2 227.352 0.488 20 0 BCADLP C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)c1[nH+]ccn1C ZINC000662935784 537934892 /nfs/dbraw/zinc/93/48/92/537934892.db2.gz ZSRYJSTZBRBWQV-RKDXNWHRSA-N 2 2 238.335 0.971 20 0 BCADLP C[C@H](C(=O)N1CC[N@H+](C)C(C)(C)C1)[NH+](C)C ZINC000635893328 346103780 /nfs/dbraw/zinc/10/37/80/346103780.db2.gz QFNHNIZXDOXVOV-SNVBAGLBSA-N 2 2 227.352 0.489 20 0 BCADLP C[C@H](C(=O)N1CC[N@@H+](C)C(C)(C)C1)[NH+](C)C ZINC000635893328 346103781 /nfs/dbraw/zinc/10/37/81/346103781.db2.gz QFNHNIZXDOXVOV-SNVBAGLBSA-N 2 2 227.352 0.489 20 0 BCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000635985455 346138724 /nfs/dbraw/zinc/13/87/24/346138724.db2.gz IOMBCQPAPDZFPR-WDEREUQCSA-N 2 2 248.330 0.266 20 0 BCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000635985455 346138725 /nfs/dbraw/zinc/13/87/25/346138725.db2.gz IOMBCQPAPDZFPR-WDEREUQCSA-N 2 2 248.330 0.266 20 0 BCADLP C[C@@H](C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)[NH+](C)C ZINC000635994600 346144036 /nfs/dbraw/zinc/14/40/36/346144036.db2.gz HIHLHBHLFKOOKV-LPEHRKFASA-N 2 2 236.319 0.955 20 0 BCADLP C[N@@H+]1CC[C@H](CC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000635945245 346118872 /nfs/dbraw/zinc/11/88/72/346118872.db2.gz OZNJRIZKSMSKEN-LLVKDONJSA-N 2 2 248.330 0.567 20 0 BCADLP C[N@H+]1CC[C@H](CC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000635945245 346118875 /nfs/dbraw/zinc/11/88/75/346118875.db2.gz OZNJRIZKSMSKEN-LLVKDONJSA-N 2 2 248.330 0.567 20 0 BCADLP Cc1ncc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)o1 ZINC000628239643 346200411 /nfs/dbraw/zinc/20/04/11/346200411.db2.gz ZGJWDIZZGKSPMG-NSHDSACASA-N 2 2 225.292 0.139 20 0 BCADLP Cc1ncc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)o1 ZINC000628239643 346200414 /nfs/dbraw/zinc/20/04/14/346200414.db2.gz ZGJWDIZZGKSPMG-NSHDSACASA-N 2 2 225.292 0.139 20 0 BCADLP Cc1ncc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)o1 ZINC000628230161 346179457 /nfs/dbraw/zinc/17/94/57/346179457.db2.gz VBAFLUAKVVQTKA-LLVKDONJSA-N 2 2 227.308 0.385 20 0 BCADLP O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2CCn1cc[nH+]c1 ZINC000332689546 537963921 /nfs/dbraw/zinc/96/39/21/537963921.db2.gz QOZTVLAEGAAYJZ-MNOVXSKESA-N 2 2 234.303 0.236 20 0 BCADLP O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2CCn1cc[nH+]c1 ZINC000332689546 537963927 /nfs/dbraw/zinc/96/39/27/537963927.db2.gz QOZTVLAEGAAYJZ-MNOVXSKESA-N 2 2 234.303 0.236 20 0 BCADLP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636181310 346348544 /nfs/dbraw/zinc/34/85/44/346348544.db2.gz WWWYCJZXDVKDFM-GHMZBOCLSA-N 2 2 248.330 0.533 20 0 BCADLP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636181310 346348545 /nfs/dbraw/zinc/34/85/45/346348545.db2.gz WWWYCJZXDVKDFM-GHMZBOCLSA-N 2 2 248.330 0.533 20 0 BCADLP CC[NH+](CC)CC[C@@H](CO)NCc1[nH]cc[nH+]1 ZINC000641771610 362710205 /nfs/dbraw/zinc/71/02/05/362710205.db2.gz JYHQRLLINOMQLO-NSHDSACASA-N 2 2 240.351 0.592 20 0 BCADLP COC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000641788095 362725005 /nfs/dbraw/zinc/72/50/05/362725005.db2.gz JABBAUFITPANOZ-WCQYABFASA-N 2 2 242.363 0.864 20 0 BCADLP c1n[nH]cc1CC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000641797938 362738433 /nfs/dbraw/zinc/73/84/33/362738433.db2.gz ASLAFLCMUQLWTF-NEPJUHHUSA-N 2 2 220.320 0.636 20 0 BCADLP c1n[nH]cc1CC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000641797938 362738436 /nfs/dbraw/zinc/73/84/36/362738436.db2.gz ASLAFLCMUQLWTF-NEPJUHHUSA-N 2 2 220.320 0.636 20 0 BCADLP CCc1nc(C)c(C[N@H+](C)C[C@H](O)C[NH3+])o1 ZINC000641798336 362744459 /nfs/dbraw/zinc/74/44/59/362744459.db2.gz FVDFXBVDLFZFRU-SECBINFHSA-N 2 2 227.308 0.297 20 0 BCADLP CCc1nc(C)c(C[N@@H+](C)C[C@H](O)C[NH3+])o1 ZINC000641798336 362744463 /nfs/dbraw/zinc/74/44/63/362744463.db2.gz FVDFXBVDLFZFRU-SECBINFHSA-N 2 2 227.308 0.297 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000641797771 362744641 /nfs/dbraw/zinc/74/46/41/362744641.db2.gz GHNPVKLTOVFXDL-ZDUSSCGKSA-N 3 2 234.347 0.648 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000641797771 362744649 /nfs/dbraw/zinc/74/46/49/362744649.db2.gz GHNPVKLTOVFXDL-ZDUSSCGKSA-N 3 2 234.347 0.648 20 0 BCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000575056432 346456548 /nfs/dbraw/zinc/45/65/48/346456548.db2.gz BTYKKZMWEYPRQN-HTQZYQBOSA-N 2 2 221.260 0.146 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000641799501 362749000 /nfs/dbraw/zinc/74/90/00/362749000.db2.gz QBWQOFOYNNVLOU-WCQYABFASA-N 3 2 234.347 0.646 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000641799501 362749005 /nfs/dbraw/zinc/74/90/05/362749005.db2.gz QBWQOFOYNNVLOU-WCQYABFASA-N 3 2 234.347 0.646 20 0 BCADLP COc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)on1 ZINC000641802146 362757531 /nfs/dbraw/zinc/75/75/31/362757531.db2.gz YDVXAGIGINCSNE-IUCAKERBSA-N 2 2 225.292 0.899 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC000641804151 362761236 /nfs/dbraw/zinc/76/12/36/362761236.db2.gz IIYMDNZASBGGAJ-RKDXNWHRSA-N 2 2 236.323 0.223 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)CO1 ZINC000402161057 349972348 /nfs/dbraw/zinc/97/23/48/349972348.db2.gz QRJVEQNSPFLOPY-NXEZZACHSA-N 2 2 238.335 0.753 20 0 BCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](C)COC ZINC000187811935 346617464 /nfs/dbraw/zinc/61/74/64/346617464.db2.gz DBMMPAPPCBVWIP-STQMWFEESA-N 2 2 244.379 0.969 20 0 BCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](C)COC ZINC000187811935 346617465 /nfs/dbraw/zinc/61/74/65/346617465.db2.gz DBMMPAPPCBVWIP-STQMWFEESA-N 2 2 244.379 0.969 20 0 BCADLP C[NH+](C)CC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000589471868 346703635 /nfs/dbraw/zinc/70/36/35/346703635.db2.gz FGZKFJGZTYKSJQ-UHFFFAOYSA-N 2 2 247.342 0.680 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000380225804 346724792 /nfs/dbraw/zinc/72/47/92/346724792.db2.gz OBPJOMZCMDJERL-LLVKDONJSA-N 2 2 222.292 0.334 20 0 BCADLP CC(=O)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000019513098 187370968 /nfs/dbraw/zinc/37/09/68/187370968.db2.gz UYWXONXXPZYDJA-LBPRGKRZSA-N 2 2 225.336 0.150 20 0 BCADLP Cc1ccc(CCC[N@@H+](C)CC(N)=O)c[nH+]1 ZINC000353377842 187373514 /nfs/dbraw/zinc/37/35/14/187373514.db2.gz GDGRTOIJMCEASL-UHFFFAOYSA-N 2 2 221.304 0.740 20 0 BCADLP Cc1ccc(CCC[N@H+](C)CC(N)=O)c[nH+]1 ZINC000353377842 187373515 /nfs/dbraw/zinc/37/35/15/187373515.db2.gz GDGRTOIJMCEASL-UHFFFAOYSA-N 2 2 221.304 0.740 20 0 BCADLP CC(C)OC(=O)CC[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000601330642 347220690 /nfs/dbraw/zinc/22/06/90/347220690.db2.gz WBUASICMFLNRLQ-NXEZZACHSA-N 2 2 214.309 0.750 20 0 BCADLP CC(C)OC(=O)CC[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000601330642 347220692 /nfs/dbraw/zinc/22/06/92/347220692.db2.gz WBUASICMFLNRLQ-NXEZZACHSA-N 2 2 214.309 0.750 20 0 BCADLP CC(C)OC(=O)CC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000601330646 347220879 /nfs/dbraw/zinc/22/08/79/347220879.db2.gz WBUASICMFLNRLQ-ZJUUUORDSA-N 2 2 214.309 0.750 20 0 BCADLP CC(C)OC(=O)CC[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000601330646 347220882 /nfs/dbraw/zinc/22/08/82/347220882.db2.gz WBUASICMFLNRLQ-ZJUUUORDSA-N 2 2 214.309 0.750 20 0 BCADLP COC[C@H](C)C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000188016233 347270814 /nfs/dbraw/zinc/27/08/14/347270814.db2.gz BRMLQJCJIKTVHP-CHWSQXEVSA-N 2 2 244.379 0.827 20 0 BCADLP COC[C@@H](C)C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000188016277 347270990 /nfs/dbraw/zinc/27/09/90/347270990.db2.gz BRMLQJCJIKTVHP-OLZOCXBDSA-N 2 2 244.379 0.827 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C1([NH3+])CCC1 ZINC000088050446 362840665 /nfs/dbraw/zinc/84/06/65/362840665.db2.gz LZRYDDHDZVMKRQ-SECBINFHSA-N 2 2 222.292 0.269 20 0 BCADLP CC(C)[C@H](C(=O)N(C)Cc1c[nH+]c[nH]1)[NH+](C)C ZINC000616924348 347455034 /nfs/dbraw/zinc/45/50/34/347455034.db2.gz FPMPSRYJELXXFJ-LLVKDONJSA-N 2 2 238.335 0.954 20 0 BCADLP CC(C)[C@H](C(=O)N(C)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC000616924348 347455036 /nfs/dbraw/zinc/45/50/36/347455036.db2.gz FPMPSRYJELXXFJ-LLVKDONJSA-N 2 2 238.335 0.954 20 0 BCADLP CC[NH+](CC)CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616924810 347456431 /nfs/dbraw/zinc/45/64/31/347456431.db2.gz XAPAZJAYSOOQBA-UHFFFAOYSA-N 2 2 224.308 0.710 20 0 BCADLP CC[NH+](CC)CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616924810 347456433 /nfs/dbraw/zinc/45/64/33/347456433.db2.gz XAPAZJAYSOOQBA-UHFFFAOYSA-N 2 2 224.308 0.710 20 0 BCADLP CC[NH+]1CCN(C(=O)c2ccc(C[NH3+])o2)CC1 ZINC000011628013 347462325 /nfs/dbraw/zinc/46/23/25/347462325.db2.gz AGBFKZASYCRPDW-UHFFFAOYSA-N 2 2 237.303 0.516 20 0 BCADLP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000590751900 347504563 /nfs/dbraw/zinc/50/45/63/347504563.db2.gz LEFFNWJTZXRHSP-MNOVXSKESA-N 2 2 237.303 0.814 20 0 BCADLP COC(=O)CC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000577230395 365892434 /nfs/dbraw/zinc/89/24/34/365892434.db2.gz MBIJLAXXHFCNTI-WDEREUQCSA-N 2 2 226.320 0.718 20 0 BCADLP COC(=O)CC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000577230395 365892436 /nfs/dbraw/zinc/89/24/36/365892436.db2.gz MBIJLAXXHFCNTI-WDEREUQCSA-N 2 2 226.320 0.718 20 0 BCADLP COC(=O)CC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000577230395 365892440 /nfs/dbraw/zinc/89/24/40/365892440.db2.gz MBIJLAXXHFCNTI-WDEREUQCSA-N 2 2 226.320 0.718 20 0 BCADLP COC(=O)CC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000577230395 365892443 /nfs/dbraw/zinc/89/24/43/365892443.db2.gz MBIJLAXXHFCNTI-WDEREUQCSA-N 2 2 226.320 0.718 20 0 BCADLP CC[N@H+](CCO)CCNCc1[nH]c(C)c(C)[nH+]1 ZINC000577231325 365893252 /nfs/dbraw/zinc/89/32/52/365893252.db2.gz HCEVVLMPXHCFSD-UHFFFAOYSA-N 2 2 240.351 0.430 20 0 BCADLP CC(C)CNC(=[NH2+])NC[C@@H]1C[N@H+](C)CCO1 ZINC000082431888 347592074 /nfs/dbraw/zinc/59/20/74/347592074.db2.gz SYAYOVZDNRDYHR-SNVBAGLBSA-N 2 2 228.340 0.087 20 0 BCADLP CC(C)CNC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCO1 ZINC000082431888 347592077 /nfs/dbraw/zinc/59/20/77/347592077.db2.gz SYAYOVZDNRDYHR-SNVBAGLBSA-N 2 2 228.340 0.087 20 0 BCADLP NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083114 347616066 /nfs/dbraw/zinc/61/60/66/347616066.db2.gz OPDOEVPQOAMMES-SECBINFHSA-N 2 2 208.265 0.005 20 0 BCADLP NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083114 347616068 /nfs/dbraw/zinc/61/60/68/347616068.db2.gz OPDOEVPQOAMMES-SECBINFHSA-N 2 2 208.265 0.005 20 0 BCADLP COC(=O)[C@@H]1CCCCC[N@@H+]1CCC[NH3+] ZINC000591272412 347636676 /nfs/dbraw/zinc/63/66/76/347636676.db2.gz IXWLWJSSZPYRLA-JTQLQIEISA-N 2 2 214.309 0.753 20 0 BCADLP COC(=O)[C@@H]1CCCCC[N@H+]1CCC[NH3+] ZINC000591272412 347636679 /nfs/dbraw/zinc/63/66/79/347636679.db2.gz IXWLWJSSZPYRLA-JTQLQIEISA-N 2 2 214.309 0.753 20 0 BCADLP Cn1cnnc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591869103 347704415 /nfs/dbraw/zinc/70/44/15/347704415.db2.gz JWCXFVLQPXGSKZ-NSHDSACASA-N 2 2 246.318 0.849 20 0 BCADLP Cn1cnnc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591869103 347704417 /nfs/dbraw/zinc/70/44/17/347704417.db2.gz JWCXFVLQPXGSKZ-NSHDSACASA-N 2 2 246.318 0.849 20 0 BCADLP CCOC(=O)CC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591449365 347664532 /nfs/dbraw/zinc/66/45/32/347664532.db2.gz WICZSAPMFMJARV-GHMZBOCLSA-N 2 2 226.320 0.623 20 0 BCADLP CCOC(=O)CC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591449365 347664535 /nfs/dbraw/zinc/66/45/35/347664535.db2.gz WICZSAPMFMJARV-GHMZBOCLSA-N 2 2 226.320 0.623 20 0 BCADLP COC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000308519871 347774426 /nfs/dbraw/zinc/77/44/26/347774426.db2.gz XGSAMHFZQZMGRJ-SCZZXKLOSA-N 2 2 200.282 0.219 20 0 BCADLP COC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000308519871 347774429 /nfs/dbraw/zinc/77/44/29/347774429.db2.gz XGSAMHFZQZMGRJ-SCZZXKLOSA-N 2 2 200.282 0.219 20 0 BCADLP C[N@H+](C[C@H](O)C[NH2+]CCOC(C)(C)C)C1CC1 ZINC000308511810 347750989 /nfs/dbraw/zinc/75/09/89/347750989.db2.gz JQYKGOPVQIWTJN-GFCCVEGCSA-N 2 2 244.379 0.846 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH2+]CCOC(C)(C)C)C1CC1 ZINC000308511810 347750991 /nfs/dbraw/zinc/75/09/91/347750991.db2.gz JQYKGOPVQIWTJN-GFCCVEGCSA-N 2 2 244.379 0.846 20 0 BCADLP COc1ccnc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000592806929 347818424 /nfs/dbraw/zinc/81/84/24/347818424.db2.gz XMYVKKRKRZYTPL-QWRGUYRKSA-N 2 2 233.315 0.741 20 0 BCADLP COc1cc[nH+]c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000592806929 347818426 /nfs/dbraw/zinc/81/84/26/347818426.db2.gz XMYVKKRKRZYTPL-QWRGUYRKSA-N 2 2 233.315 0.741 20 0 BCADLP O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cc[nH+]c1 ZINC000593098774 347856137 /nfs/dbraw/zinc/85/61/37/347856137.db2.gz DPCTZICHEVPGLL-YHAQOWFVSA-N 2 2 225.317 0.088 20 0 BCADLP O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2CCn1cc[nH+]c1 ZINC000593098774 347856138 /nfs/dbraw/zinc/85/61/38/347856138.db2.gz DPCTZICHEVPGLL-YHAQOWFVSA-N 2 2 225.317 0.088 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593100484 347856758 /nfs/dbraw/zinc/85/67/58/347856758.db2.gz NRCJXQVHWAFTMW-YRORDHRNSA-N 2 2 242.388 0.676 20 0 BCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593100484 347856760 /nfs/dbraw/zinc/85/67/60/347856760.db2.gz NRCJXQVHWAFTMW-YRORDHRNSA-N 2 2 242.388 0.676 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593100484 347856761 /nfs/dbraw/zinc/85/67/61/347856761.db2.gz NRCJXQVHWAFTMW-YRORDHRNSA-N 2 2 242.388 0.676 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593100484 347856764 /nfs/dbraw/zinc/85/67/64/347856764.db2.gz NRCJXQVHWAFTMW-YRORDHRNSA-N 2 2 242.388 0.676 20 0 BCADLP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593101461 347857460 /nfs/dbraw/zinc/85/74/60/347857460.db2.gz VGKOXROKNQDRQB-MKBNYLNASA-N 2 2 244.404 0.924 20 0 BCADLP CC[NH+](CC)CCC[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593101461 347857464 /nfs/dbraw/zinc/85/74/64/347857464.db2.gz VGKOXROKNQDRQB-MKBNYLNASA-N 2 2 244.404 0.924 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593101004 347857859 /nfs/dbraw/zinc/85/78/59/347857859.db2.gz RDIGNRZZVKUCTL-XMZIXOGTSA-N 2 2 239.344 0.397 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593101004 347857861 /nfs/dbraw/zinc/85/78/61/347857861.db2.gz RDIGNRZZVKUCTL-XMZIXOGTSA-N 2 2 239.344 0.397 20 0 BCADLP CS[C@@H](C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593905570 347968535 /nfs/dbraw/zinc/96/85/35/347968535.db2.gz WDKWTSLNDFNKKF-IUCAKERBSA-N 2 2 233.381 0.133 20 0 BCADLP Cc1cccn2cc(CNC(=O)[C@H](C)[NH3+])[nH+]c12 ZINC000083909177 179357229 /nfs/dbraw/zinc/35/72/29/179357229.db2.gz WSEMBLHCQQKLMJ-VIFPVBQESA-N 2 2 232.287 0.606 20 0 BCADLP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000594951197 348147733 /nfs/dbraw/zinc/14/77/33/348147733.db2.gz SVTFTEHUQNGKDF-OUAUKWLOSA-N 2 2 240.347 0.868 20 0 BCADLP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000594920208 348154684 /nfs/dbraw/zinc/15/46/84/348154684.db2.gz SSLRSMFNDBJDRN-SDDRHHMPSA-N 2 2 240.347 0.869 20 0 BCADLP c1cc2n(n1)C[C@H](C[NH2+]CC[NH+]1CCCC1)CN2 ZINC000595145205 348198838 /nfs/dbraw/zinc/19/88/38/348198838.db2.gz ZUAXVJUVMVSCJS-GFCCVEGCSA-N 2 2 249.362 0.610 20 0 BCADLP C[C@@H](C[NH2+]C[C@H]1CNc2ccnn2C1)[NH+](C)C ZINC000595143790 348198992 /nfs/dbraw/zinc/19/89/92/348198992.db2.gz FGUGSSVKZMUBTE-QWRGUYRKSA-N 2 2 237.351 0.465 20 0 BCADLP C=Cn1cc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cn1 ZINC000234345407 187391241 /nfs/dbraw/zinc/39/12/41/187391241.db2.gz RQNDCWQBQKNHPK-ZDUSSCGKSA-N 2 2 249.362 0.319 20 0 BCADLP C[C@@H]([NH3+])[C@H]1C[N@H+](C[C@H]2CC[C@@H](C)O2)CCO1 ZINC000251740403 362903350 /nfs/dbraw/zinc/90/33/50/362903350.db2.gz JHLAFOLPQOEGKA-DDHJBXDOSA-N 2 2 228.336 0.602 20 0 BCADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](C[C@H]2CC[C@@H](C)O2)CCO1 ZINC000251740403 362903356 /nfs/dbraw/zinc/90/33/56/362903356.db2.gz JHLAFOLPQOEGKA-DDHJBXDOSA-N 2 2 228.336 0.602 20 0 BCADLP C[C@@H]1CC[N@H+](CC[NH2+]CC2(C)COC2)C1 ZINC000309095735 349985106 /nfs/dbraw/zinc/98/51/06/349985106.db2.gz CSYQVUVZWNVXPV-LLVKDONJSA-N 2 2 212.337 0.954 20 0 BCADLP C[C@@H]1CC[N@@H+](CC[NH2+]CC2(C)COC2)C1 ZINC000309095735 349985107 /nfs/dbraw/zinc/98/51/07/349985107.db2.gz CSYQVUVZWNVXPV-LLVKDONJSA-N 2 2 212.337 0.954 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+]Cc1ncc[nH]1 ZINC000263888919 187397077 /nfs/dbraw/zinc/39/70/77/187397077.db2.gz KXNSKIPGFFNBLR-UHFFFAOYSA-N 2 2 205.265 0.704 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCC[C@]1(COC)C(=O)OC ZINC000595905551 348395973 /nfs/dbraw/zinc/39/59/73/348395973.db2.gz VEJNUYBCNOKAEX-LBPRGKRZSA-N 2 2 244.335 0.250 20 0 BCADLP C[NH2+]CCC[N@H+]1CCC[C@]1(COC)C(=O)OC ZINC000595905551 348395975 /nfs/dbraw/zinc/39/59/75/348395975.db2.gz VEJNUYBCNOKAEX-LBPRGKRZSA-N 2 2 244.335 0.250 20 0 BCADLP COC(=O)[C@H]1C[C@@H]([N@H+](C)C[C@H](C)[NH3+])C1 ZINC000595905182 348396194 /nfs/dbraw/zinc/39/61/94/348396194.db2.gz QBITUGHHAWTRSI-XHNCKOQMSA-N 2 2 200.282 0.217 20 0 BCADLP COC(=O)[C@H]1C[C@@H]([N@@H+](C)C[C@H](C)[NH3+])C1 ZINC000595905182 348396197 /nfs/dbraw/zinc/39/61/97/348396197.db2.gz QBITUGHHAWTRSI-XHNCKOQMSA-N 2 2 200.282 0.217 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC000596105680 348440256 /nfs/dbraw/zinc/44/02/56/348440256.db2.gz LWCDGFQGNCSJOU-QMMMGPOBSA-N 2 2 225.292 0.499 20 0 BCADLP [NH3+]CC[C@@H](NC(=O)CCn1cc[nH+]c1)C(F)F ZINC000383469705 348726418 /nfs/dbraw/zinc/72/64/18/348726418.db2.gz LUOIWFDAMPUISM-MRVPVSSYSA-N 2 2 246.261 0.372 20 0 BCADLP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000599014156 349082151 /nfs/dbraw/zinc/08/21/51/349082151.db2.gz PMRGTNSACZUVBQ-FIQHERPVSA-N 2 2 240.347 0.868 20 0 BCADLP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000599014156 349082153 /nfs/dbraw/zinc/08/21/53/349082153.db2.gz PMRGTNSACZUVBQ-FIQHERPVSA-N 2 2 240.347 0.868 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CO[C@@H](C)C1 ZINC000402185027 350002275 /nfs/dbraw/zinc/00/22/75/350002275.db2.gz BYBJDHRMJBLMKU-WRWGMCAJSA-N 2 2 228.336 0.520 20 0 BCADLP CCOCC[N@H+](CC)C[C@H]1C[NH2+]CCO1 ZINC000070621449 490226254 /nfs/dbraw/zinc/22/62/54/490226254.db2.gz LHZIJPUOSYIWIS-LLVKDONJSA-N 2 2 216.325 0.333 20 0 BCADLP CCOCC[N@@H+](CC)C[C@H]1C[NH2+]CCO1 ZINC000070621449 490226258 /nfs/dbraw/zinc/22/62/58/490226258.db2.gz LHZIJPUOSYIWIS-LLVKDONJSA-N 2 2 216.325 0.333 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000252594088 349201073 /nfs/dbraw/zinc/20/10/73/349201073.db2.gz GHDSBPXNNUATRO-OUAUKWLOSA-N 2 2 236.319 0.386 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCSC[C@H]1C ZINC000309013557 349304053 /nfs/dbraw/zinc/30/40/53/349304053.db2.gz QAQCXFBPKHJZCJ-GHMZBOCLSA-N 2 2 232.393 0.736 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCSC[C@H]1C ZINC000309013557 349304055 /nfs/dbraw/zinc/30/40/55/349304055.db2.gz QAQCXFBPKHJZCJ-GHMZBOCLSA-N 2 2 232.393 0.736 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCSC[C@H]1C ZINC000309013557 349304059 /nfs/dbraw/zinc/30/40/59/349304059.db2.gz QAQCXFBPKHJZCJ-GHMZBOCLSA-N 2 2 232.393 0.736 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCSC[C@H]1C ZINC000309013557 349304062 /nfs/dbraw/zinc/30/40/62/349304062.db2.gz QAQCXFBPKHJZCJ-GHMZBOCLSA-N 2 2 232.393 0.736 20 0 BCADLP COC[C@H](O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000601835846 349362796 /nfs/dbraw/zinc/36/27/96/349362796.db2.gz DTKSFXHTVPCBBZ-VXGBXAGGSA-N 2 2 239.319 0.527 20 0 BCADLP COC[C@H](O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000601835846 349362798 /nfs/dbraw/zinc/36/27/98/349362798.db2.gz DTKSFXHTVPCBBZ-VXGBXAGGSA-N 2 2 239.319 0.527 20 0 BCADLP COC(=O)[C@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000602016363 349416876 /nfs/dbraw/zinc/41/68/76/349416876.db2.gz DCWBIVQUXCUVRP-YZRBJQDESA-N 2 2 224.304 0.233 20 0 BCADLP COC(=O)[C@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000602016363 349416881 /nfs/dbraw/zinc/41/68/81/349416881.db2.gz DCWBIVQUXCUVRP-YZRBJQDESA-N 2 2 224.304 0.233 20 0 BCADLP C[N@@H+]1CC[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000603917424 350053111 /nfs/dbraw/zinc/05/31/11/350053111.db2.gz XEAUJQZIAOOARR-JTQLQIEISA-N 2 2 234.303 0.218 20 0 BCADLP C[N@H+]1CC[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000603917424 350053114 /nfs/dbraw/zinc/05/31/14/350053114.db2.gz XEAUJQZIAOOARR-JTQLQIEISA-N 2 2 234.303 0.218 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC000070799892 350060800 /nfs/dbraw/zinc/06/08/00/350060800.db2.gz RLSLUFRXIKUFDK-NSHDSACASA-N 2 2 225.336 0.150 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000070799892 350060804 /nfs/dbraw/zinc/06/08/04/350060804.db2.gz RLSLUFRXIKUFDK-NSHDSACASA-N 2 2 225.336 0.150 20 0 BCADLP CC(C)[NH2+]CCC(=O)NCc1[nH+]ccn1C ZINC000070854998 350068637 /nfs/dbraw/zinc/06/86/37/350068637.db2.gz QZVLAEVYPJPNFQ-UHFFFAOYSA-N 2 2 224.308 0.424 20 0 BCADLP Cc1nc([C@H]2CCC[N@@H+]2CCOCC[NH3+])no1 ZINC000357077914 180057456 /nfs/dbraw/zinc/05/74/56/180057456.db2.gz QQEWWCVTVRAXLI-SNVBAGLBSA-N 2 2 240.307 0.490 20 0 BCADLP Cc1nc([C@H]2CCC[N@H+]2CCOCC[NH3+])no1 ZINC000357077914 180057459 /nfs/dbraw/zinc/05/74/59/180057459.db2.gz QQEWWCVTVRAXLI-SNVBAGLBSA-N 2 2 240.307 0.490 20 0 BCADLP Cn1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)n1 ZINC000304506502 350161067 /nfs/dbraw/zinc/16/10/67/350161067.db2.gz JAOSVUFCBUEJAM-LBPRGKRZSA-N 2 2 220.320 0.606 20 0 BCADLP Cn1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)n1 ZINC000304506502 350161069 /nfs/dbraw/zinc/16/10/69/350161069.db2.gz JAOSVUFCBUEJAM-LBPRGKRZSA-N 2 2 220.320 0.606 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@H](C2CC2)[NH+](C)C)c[nH+]1 ZINC000339225994 180132823 /nfs/dbraw/zinc/13/28/23/180132823.db2.gz RPQSRGSGHXCIIZ-LLVKDONJSA-N 2 2 236.319 0.788 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000335661462 180119463 /nfs/dbraw/zinc/11/94/63/180119463.db2.gz DXJXCEWYRRJPSK-WPRPVWTQSA-N 2 2 236.319 0.722 20 0 BCADLP O=C(C[C@H]1CCC[NH2+]CC1)NCc1[nH]cc[nH+]1 ZINC000427321667 191059593 /nfs/dbraw/zinc/05/95/93/191059593.db2.gz QPOKZQYLMAWBKR-JTQLQIEISA-N 2 2 236.319 0.806 20 0 BCADLP Cc1ncc(C[NH2+]C2CC[NH+](C)CC2)cn1 ZINC000336775704 180149718 /nfs/dbraw/zinc/14/97/18/180149718.db2.gz ZSPCFGKDTSKSCA-UHFFFAOYSA-N 2 2 220.320 0.969 20 0 BCADLP CCCC[N@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000309206790 350191302 /nfs/dbraw/zinc/19/13/02/350191302.db2.gz CNAZZIDPPUMCOR-GFCCVEGCSA-N 2 2 232.368 0.657 20 0 BCADLP CCCC[N@@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000309206790 350191304 /nfs/dbraw/zinc/19/13/04/350191304.db2.gz CNAZZIDPPUMCOR-GFCCVEGCSA-N 2 2 232.368 0.657 20 0 BCADLP CCCC[NH+](C)C[C@@H](O)C[N@H+](C)CCOC ZINC000309206790 350191306 /nfs/dbraw/zinc/19/13/06/350191306.db2.gz CNAZZIDPPUMCOR-GFCCVEGCSA-N 2 2 232.368 0.657 20 0 BCADLP CCCC[NH+](C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000309206790 350191307 /nfs/dbraw/zinc/19/13/07/350191307.db2.gz CNAZZIDPPUMCOR-GFCCVEGCSA-N 2 2 232.368 0.657 20 0 BCADLP C[C@@H](C[NH+](C)C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000637147679 350220323 /nfs/dbraw/zinc/22/03/23/350220323.db2.gz WSXUSGABFGZHCE-VIFPVBQESA-N 2 2 239.323 0.501 20 0 BCADLP Cc1nc(NCCC[NH+]2CCOCC2)cc[nH+]1 ZINC000054935782 180198622 /nfs/dbraw/zinc/19/86/22/180198622.db2.gz CFAGYYVLMFPLHU-UHFFFAOYSA-N 2 2 236.319 0.919 20 0 BCADLP Cc1nccc(NC[C@H]2C[N@H+](C)CCO2)n1 ZINC000085485888 180200213 /nfs/dbraw/zinc/20/02/13/180200213.db2.gz XUQRXRPMTJMBTK-JTQLQIEISA-N 2 2 222.292 0.528 20 0 BCADLP Cc1nccc(NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000085485888 180200216 /nfs/dbraw/zinc/20/02/16/180200216.db2.gz XUQRXRPMTJMBTK-JTQLQIEISA-N 2 2 222.292 0.528 20 0 BCADLP Cc1nc(NC[C@H]2C[N@H+](C)CCO2)cc[nH+]1 ZINC000085485888 180200217 /nfs/dbraw/zinc/20/02/17/180200217.db2.gz XUQRXRPMTJMBTK-JTQLQIEISA-N 2 2 222.292 0.528 20 0 BCADLP Cc1nc(NC[C@H]2C[N@@H+](C)CCO2)cc[nH+]1 ZINC000085485888 180200218 /nfs/dbraw/zinc/20/02/18/180200218.db2.gz XUQRXRPMTJMBTK-JTQLQIEISA-N 2 2 222.292 0.528 20 0 BCADLP CCCNC(=O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261541258 535116124 /nfs/dbraw/zinc/11/61/24/535116124.db2.gz BAQJLNJJFCQMGR-SDDRHHMPSA-N 2 2 239.363 0.585 20 0 BCADLP Cc1[nH+]ccn1-c1ncccc1NC(=O)C[NH3+] ZINC000037765497 180229807 /nfs/dbraw/zinc/22/98/07/180229807.db2.gz LHNAOMLGODTMOB-UHFFFAOYSA-N 2 2 231.259 0.473 20 0 BCADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](C(C)C)C1 ZINC000287017205 180230816 /nfs/dbraw/zinc/23/08/16/180230816.db2.gz VJOOAVBYNMDLSQ-UHFFFAOYSA-N 2 2 236.319 0.400 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C ZINC000309257188 350242737 /nfs/dbraw/zinc/24/27/37/350242737.db2.gz OMWDNBGEGVZWQE-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C ZINC000309257188 350242740 /nfs/dbraw/zinc/24/27/40/350242740.db2.gz OMWDNBGEGVZWQE-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1C ZINC000309257188 350242742 /nfs/dbraw/zinc/24/27/42/350242742.db2.gz OMWDNBGEGVZWQE-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1C ZINC000309257188 350242747 /nfs/dbraw/zinc/24/27/47/350242747.db2.gz OMWDNBGEGVZWQE-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+](C)CCS(C)(=O)=O ZINC000270696348 180249229 /nfs/dbraw/zinc/24/92/29/180249229.db2.gz ZAIZLJIYRNOTPT-UHFFFAOYSA-N 2 2 245.348 0.168 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+](C)CCS(C)(=O)=O ZINC000270696348 180249231 /nfs/dbraw/zinc/24/92/31/180249231.db2.gz ZAIZLJIYRNOTPT-UHFFFAOYSA-N 2 2 245.348 0.168 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000274463166 180251640 /nfs/dbraw/zinc/25/16/40/180251640.db2.gz MUAUPHKHXVHBQW-HWPZZCPQSA-N 2 2 243.376 0.890 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)C[S@](C)=O ZINC000274463166 180251641 /nfs/dbraw/zinc/25/16/41/180251641.db2.gz MUAUPHKHXVHBQW-HWPZZCPQSA-N 2 2 243.376 0.890 20 0 BCADLP C[C@@H](O)CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000309085060 323315291 /nfs/dbraw/zinc/31/52/91/323315291.db2.gz WGQLKCYCVQGEFT-FOGDFJRCSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H](O)CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000309085060 323315294 /nfs/dbraw/zinc/31/52/94/323315294.db2.gz WGQLKCYCVQGEFT-FOGDFJRCSA-N 2 2 212.337 0.830 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000368326486 180256096 /nfs/dbraw/zinc/25/60/96/180256096.db2.gz AAKCGKLAWKZJIL-MNOVXSKESA-N 2 2 207.277 0.665 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@H]2C[C@H]21 ZINC000368326486 180256098 /nfs/dbraw/zinc/25/60/98/180256098.db2.gz AAKCGKLAWKZJIL-MNOVXSKESA-N 2 2 207.277 0.665 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@@H](CO)C1 ZINC000270571072 180241270 /nfs/dbraw/zinc/24/12/70/180241270.db2.gz ASCDSVTTYFOULG-GFCCVEGCSA-N 2 2 239.319 0.275 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@@H](CO)C1 ZINC000270571072 180241272 /nfs/dbraw/zinc/24/12/72/180241272.db2.gz ASCDSVTTYFOULG-GFCCVEGCSA-N 2 2 239.319 0.275 20 0 BCADLP C[NH+](C)CCC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000068939463 350312723 /nfs/dbraw/zinc/31/27/23/350312723.db2.gz LHAVGVWBSPGNLN-JTQLQIEISA-N 2 2 234.365 0.105 20 0 BCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000606370327 350318829 /nfs/dbraw/zinc/31/88/29/350318829.db2.gz RZOMHIRSUJFFKU-VIFPVBQESA-N 2 2 222.292 0.510 20 0 BCADLP C[N@H+]1CCCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000606370327 350318835 /nfs/dbraw/zinc/31/88/35/350318835.db2.gz RZOMHIRSUJFFKU-VIFPVBQESA-N 2 2 222.292 0.510 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CO)CC1 ZINC000309290544 323340720 /nfs/dbraw/zinc/34/07/20/323340720.db2.gz VQDQPYQHOSWDGM-GFCCVEGCSA-N 2 2 230.352 0.003 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CO)CC1 ZINC000309290544 323340725 /nfs/dbraw/zinc/34/07/25/323340725.db2.gz VQDQPYQHOSWDGM-GFCCVEGCSA-N 2 2 230.352 0.003 20 0 BCADLP C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)[C@H](C(N)=O)C1 ZINC000187411106 350602022 /nfs/dbraw/zinc/60/20/22/350602022.db2.gz KMUNLIMZYGGPCZ-MNOVXSKESA-N 2 2 236.319 0.469 20 0 BCADLP C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@H](C(N)=O)C1 ZINC000187411106 350602023 /nfs/dbraw/zinc/60/20/23/350602023.db2.gz KMUNLIMZYGGPCZ-MNOVXSKESA-N 2 2 236.319 0.469 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)C(N)=O)C[N@@H+]1C1CC1 ZINC000163759431 350818003 /nfs/dbraw/zinc/81/80/03/350818003.db2.gz XDSZZCQFIXZKBO-UWVGGRQHSA-N 2 2 239.363 0.713 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)C(N)=O)C[N@H+]1C1CC1 ZINC000163759431 350818014 /nfs/dbraw/zinc/81/80/14/350818014.db2.gz XDSZZCQFIXZKBO-UWVGGRQHSA-N 2 2 239.363 0.713 20 0 BCADLP C[C@@H](O)C[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000563362800 350824812 /nfs/dbraw/zinc/82/48/12/350824812.db2.gz BZHJMQWTRIRZKL-VXGBXAGGSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H](O)C[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000563362800 350824814 /nfs/dbraw/zinc/82/48/14/350824814.db2.gz BZHJMQWTRIRZKL-VXGBXAGGSA-N 2 2 242.363 0.552 20 0 BCADLP COC(=O)[C@@H]1CCC[N@H+](CC[NH3+])CC1 ZINC000616601217 350781082 /nfs/dbraw/zinc/78/10/82/350781082.db2.gz MDKAMMVMOQDPHF-SECBINFHSA-N 2 2 200.282 0.220 20 0 BCADLP COC(=O)[C@@H]1CCC[N@@H+](CC[NH3+])CC1 ZINC000616601217 350781086 /nfs/dbraw/zinc/78/10/86/350781086.db2.gz MDKAMMVMOQDPHF-SECBINFHSA-N 2 2 200.282 0.220 20 0 BCADLP CC(C)C(=O)NCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400477718 323440955 /nfs/dbraw/zinc/44/09/55/323440955.db2.gz VJFZGJIVYLPRFZ-MNOVXSKESA-N 2 2 227.352 0.489 20 0 BCADLP CC[C@@H]1C(=O)NCC[N@H+]1CCn1cc[nH+]c1C ZINC000270831076 351388800 /nfs/dbraw/zinc/38/88/00/351388800.db2.gz CWQIFSAMRMUAOA-LLVKDONJSA-N 2 2 236.319 0.402 20 0 BCADLP CC[C@@H]1C(=O)NCC[N@@H+]1CCn1cc[nH+]c1C ZINC000270831076 351388804 /nfs/dbraw/zinc/38/88/04/351388804.db2.gz CWQIFSAMRMUAOA-LLVKDONJSA-N 2 2 236.319 0.402 20 0 BCADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC([NH3+])CC1 ZINC000034939791 351355364 /nfs/dbraw/zinc/35/53/64/351355364.db2.gz SGBUPUWZRBUMPC-JTQLQIEISA-N 2 2 239.363 0.857 20 0 BCADLP C[NH+]1CCC([NH2+]C[C@@H]2CCCS2(=O)=O)CC1 ZINC000087970668 351440077 /nfs/dbraw/zinc/44/00/77/351440077.db2.gz MVLKCMYVSQOPOI-NSHDSACASA-N 2 2 246.376 0.247 20 0 BCADLP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000637804394 351641507 /nfs/dbraw/zinc/64/15/07/351641507.db2.gz CHJDGRJBQHMYNJ-OPRDCNLKSA-N 2 2 234.303 0.381 20 0 BCADLP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000637804394 351641509 /nfs/dbraw/zinc/64/15/09/351641509.db2.gz CHJDGRJBQHMYNJ-OPRDCNLKSA-N 2 2 234.303 0.381 20 0 BCADLP CC[NH2+]CCCNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000637809701 351646294 /nfs/dbraw/zinc/64/62/94/351646294.db2.gz WHERSUYAOVWWGQ-UHFFFAOYSA-N 2 2 238.335 0.630 20 0 BCADLP Cc1cn2ccc(C(=O)N[C@H]3CC[NH2+]C3)cc2[nH+]1 ZINC000637811368 351653017 /nfs/dbraw/zinc/65/30/17/351653017.db2.gz KCWMCGWISGDLLT-NSHDSACASA-N 2 2 244.298 0.734 20 0 BCADLP CC(C)C[C@H](C(=O)NCC[NH3+])n1cc[nH+]c1 ZINC000637797481 351624572 /nfs/dbraw/zinc/62/45/72/351624572.db2.gz OHXOMEONCPCCNQ-SNVBAGLBSA-N 2 2 224.308 0.545 20 0 BCADLP CCO[C@@H]1C[C@@H]1[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000577739751 366047718 /nfs/dbraw/zinc/04/77/18/366047718.db2.gz JLSZLMDQWXROKV-WISYIIOYSA-N 2 2 228.336 0.520 20 0 BCADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[NH2+]1 ZINC000637842278 351699208 /nfs/dbraw/zinc/69/92/08/351699208.db2.gz SVNISUMOSNQBRV-IVZWLZJFSA-N 2 2 234.303 0.334 20 0 BCADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[NH2+]1 ZINC000637842278 351699210 /nfs/dbraw/zinc/69/92/10/351699210.db2.gz SVNISUMOSNQBRV-IVZWLZJFSA-N 2 2 234.303 0.334 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000637844403 351700004 /nfs/dbraw/zinc/70/00/04/351700004.db2.gz NGDOVECNFPOPMN-SNVBAGLBSA-N 2 2 238.335 0.750 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000637844403 351700007 /nfs/dbraw/zinc/70/00/07/351700007.db2.gz NGDOVECNFPOPMN-SNVBAGLBSA-N 2 2 238.335 0.750 20 0 BCADLP C[C@](C[NH3+])(NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000637843200 351701712 /nfs/dbraw/zinc/70/17/12/351701712.db2.gz USVRCJUUCGGFIK-GIPNMCIBSA-N 2 2 248.330 0.757 20 0 BCADLP C[C@](C[NH3+])(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000637843200 351701714 /nfs/dbraw/zinc/70/17/14/351701714.db2.gz USVRCJUUCGGFIK-GIPNMCIBSA-N 2 2 248.330 0.757 20 0 BCADLP Cc1cn2ccc(C(=O)N3CC[C@H]([NH3+])C3)cc2[nH+]1 ZINC000637821919 351666499 /nfs/dbraw/zinc/66/64/99/351666499.db2.gz FSJVROGWRGZDGG-NSHDSACASA-N 2 2 244.298 0.816 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000637827895 351670573 /nfs/dbraw/zinc/67/05/73/351670573.db2.gz VRXMMCFBCWNLBL-SECBINFHSA-N 2 2 222.292 0.129 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000637827895 351670574 /nfs/dbraw/zinc/67/05/74/351670574.db2.gz VRXMMCFBCWNLBL-SECBINFHSA-N 2 2 222.292 0.129 20 0 BCADLP C[N@@H+](CC(=O)NC1CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000112657073 191140281 /nfs/dbraw/zinc/14/02/81/191140281.db2.gz APVYBBOPKGNBTR-LLVKDONJSA-N 2 2 239.363 0.539 20 0 BCADLP C[N@H+](CC(=O)NC1CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000112657073 191140283 /nfs/dbraw/zinc/14/02/83/191140283.db2.gz APVYBBOPKGNBTR-LLVKDONJSA-N 2 2 239.363 0.539 20 0 BCADLP C[NH+](CC(=O)NC1CC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000112657073 191140285 /nfs/dbraw/zinc/14/02/85/191140285.db2.gz APVYBBOPKGNBTR-LLVKDONJSA-N 2 2 239.363 0.539 20 0 BCADLP C[NH+](CC(=O)NC1CC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000112657073 191140287 /nfs/dbraw/zinc/14/02/87/191140287.db2.gz APVYBBOPKGNBTR-LLVKDONJSA-N 2 2 239.363 0.539 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NCC(C)(C)[NH3+] ZINC000637857660 351718803 /nfs/dbraw/zinc/71/88/03/351718803.db2.gz MXXPLGLNZMBISW-UHFFFAOYSA-N 2 2 210.281 0.114 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)NCC(C)(C)[NH3+] ZINC000637857660 351718805 /nfs/dbraw/zinc/71/88/05/351718805.db2.gz MXXPLGLNZMBISW-UHFFFAOYSA-N 2 2 210.281 0.114 20 0 BCADLP CCc1c[nH]c(CC(=O)NC[C@@H](C)C[NH3+])[nH+]1 ZINC000638143753 352006897 /nfs/dbraw/zinc/00/68/97/352006897.db2.gz JKKIVCWIKNCFQB-QMMMGPOBSA-N 2 2 224.308 0.226 20 0 BCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000638098766 351978736 /nfs/dbraw/zinc/97/87/36/351978736.db2.gz ONBCWPRNHSIBFS-GXFFZTMASA-N 2 2 249.314 0.517 20 0 BCADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000638098770 351979114 /nfs/dbraw/zinc/97/91/14/351979114.db2.gz ONBCWPRNHSIBFS-ZWNOBZJWSA-N 2 2 249.314 0.517 20 0 BCADLP CC(C)CC[C@H]([NH3+])C(=O)NCc1[nH+]ccn1C ZINC000638101523 351980048 /nfs/dbraw/zinc/98/00/48/351980048.db2.gz DXUFNSQIVYMSOT-JTQLQIEISA-N 2 2 238.335 0.800 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638099948 351980900 /nfs/dbraw/zinc/98/09/00/351980900.db2.gz WSWLOXZUPWACPO-GFCCVEGCSA-N 2 2 235.287 0.129 20 0 BCADLP CC[NH2+][C@@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000638111785 351989375 /nfs/dbraw/zinc/98/93/75/351989375.db2.gz FZQXBKMWYOKXCL-QMMMGPOBSA-N 2 2 210.281 0.066 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000638199099 352062589 /nfs/dbraw/zinc/06/25/89/352062589.db2.gz HCNOWGWUWFHSOV-VHSXEESVSA-N 2 2 236.319 0.647 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000638199099 352062592 /nfs/dbraw/zinc/06/25/92/352062592.db2.gz HCNOWGWUWFHSOV-VHSXEESVSA-N 2 2 236.319 0.647 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000638199594 352063185 /nfs/dbraw/zinc/06/31/85/352063185.db2.gz DJSBIPXTSBZHMI-PWSUYJOCSA-N 2 2 248.330 0.471 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000638199595 352063623 /nfs/dbraw/zinc/06/36/23/352063623.db2.gz DJSBIPXTSBZHMI-ZYHUDNBSSA-N 2 2 248.330 0.471 20 0 BCADLP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1C ZINC000638203773 352065058 /nfs/dbraw/zinc/06/50/58/352065058.db2.gz HNPHWOKIBMOOJJ-UKKRHICBSA-N 2 2 248.330 0.722 20 0 BCADLP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1C ZINC000638203773 352065063 /nfs/dbraw/zinc/06/50/63/352065063.db2.gz HNPHWOKIBMOOJJ-UKKRHICBSA-N 2 2 248.330 0.722 20 0 BCADLP C[C@H](Cc1cnccn1)[NH2+]CCn1cc[nH+]c1 ZINC000638297334 352129921 /nfs/dbraw/zinc/12/99/21/352129921.db2.gz BGSKOLGOFNLCJI-LLVKDONJSA-N 2 2 231.303 0.894 20 0 BCADLP CC(C)CC[C@@H]([NH3+])C(=O)NCc1c[nH+]c[nH]1 ZINC000638281138 352117096 /nfs/dbraw/zinc/11/70/96/352117096.db2.gz JHFYEFCCPUWVTG-SNVBAGLBSA-N 2 2 224.308 0.789 20 0 BCADLP CC(C)CC[C@@H]([NH3+])C(=O)NCc1c[nH]c[nH+]1 ZINC000638281138 352117097 /nfs/dbraw/zinc/11/70/97/352117097.db2.gz JHFYEFCCPUWVTG-SNVBAGLBSA-N 2 2 224.308 0.789 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000638331794 352153793 /nfs/dbraw/zinc/15/37/93/352153793.db2.gz LWPXKYGTAKCFGI-LLVKDONJSA-N 2 2 236.319 0.456 20 0 BCADLP CC[N@@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000288508358 352153832 /nfs/dbraw/zinc/15/38/32/352153832.db2.gz QSYJSCBCZRFIBC-ZWNMCFTASA-N 2 2 248.330 0.976 20 0 BCADLP CC[N@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000288508358 352153834 /nfs/dbraw/zinc/15/38/34/352153834.db2.gz QSYJSCBCZRFIBC-ZWNMCFTASA-N 2 2 248.330 0.976 20 0 BCADLP CCc1c[nH]c(CC(=O)NCC23CC(C2)C[NH2+]3)[nH+]1 ZINC000638427524 352235580 /nfs/dbraw/zinc/23/55/80/352235580.db2.gz WHXAHUAVOYHIBR-UHFFFAOYSA-N 2 2 248.330 0.383 20 0 BCADLP CC[NH2+][C@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000638428971 352237061 /nfs/dbraw/zinc/23/70/61/352237061.db2.gz FWXJDSRQRGHDDU-DTWKUNHWSA-N 2 2 224.308 0.595 20 0 BCADLP C[NH2+]C[C@@H](C)NC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000638431524 352239592 /nfs/dbraw/zinc/23/95/92/352239592.db2.gz FTKBUGGHTSTHEW-SECBINFHSA-N 2 2 246.314 0.980 20 0 BCADLP CO[C@H](C[NH2+][C@H]1CCC[N@H+](C)C1)[C@H]1CCOC1 ZINC000638407572 352213246 /nfs/dbraw/zinc/21/32/46/352213246.db2.gz BMSVWCQGWJTKFJ-RWMBFGLXSA-N 2 2 242.363 0.722 20 0 BCADLP CO[C@H](C[NH2+][C@H]1CCC[N@@H+](C)C1)[C@H]1CCOC1 ZINC000638407572 352213248 /nfs/dbraw/zinc/21/32/48/352213248.db2.gz BMSVWCQGWJTKFJ-RWMBFGLXSA-N 2 2 242.363 0.722 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)CS1 ZINC000252117989 363124523 /nfs/dbraw/zinc/12/45/23/363124523.db2.gz KLESITKRKPYQMH-UTUOFQBUSA-N 2 2 243.420 0.716 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)CS1 ZINC000252117989 363124530 /nfs/dbraw/zinc/12/45/30/363124530.db2.gz KLESITKRKPYQMH-UTUOFQBUSA-N 2 2 243.420 0.716 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000638442078 352248817 /nfs/dbraw/zinc/24/88/17/352248817.db2.gz OBGJLQPEMPSVEC-ZWNOBZJWSA-N 2 2 248.330 0.600 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000638442075 352249158 /nfs/dbraw/zinc/24/91/58/352249158.db2.gz OBGJLQPEMPSVEC-GWCFXTLKSA-N 2 2 248.330 0.600 20 0 BCADLP COCC[N@H+](C)CC[NH2+]C[C@@](C)(OC)C1CC1 ZINC000638484252 352294224 /nfs/dbraw/zinc/29/42/24/352294224.db2.gz VYWCZNRQWKNQOG-CYBMUJFWSA-N 2 2 244.379 0.969 20 0 BCADLP COCC[N@@H+](C)CC[NH2+]C[C@@](C)(OC)C1CC1 ZINC000638484252 352294226 /nfs/dbraw/zinc/29/42/26/352294226.db2.gz VYWCZNRQWKNQOG-CYBMUJFWSA-N 2 2 244.379 0.969 20 0 BCADLP CCN(CC[NH3+])C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000638516563 352344905 /nfs/dbraw/zinc/34/49/05/352344905.db2.gz URYHEPAYGBVASC-SNVBAGLBSA-N 2 2 236.319 0.253 20 0 BCADLP COC[C@]1(C[NH2+]Cc2cccnc2)CCC[NH2+]1 ZINC000414947157 352370350 /nfs/dbraw/zinc/37/03/50/352370350.db2.gz USDDRWQUNNAMJL-CYBMUJFWSA-N 2 2 235.331 0.940 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)[C@H]1CC1(F)F ZINC000638597479 352429371 /nfs/dbraw/zinc/42/93/71/352429371.db2.gz XIBNTHUJUVZMSC-HBNTYKKESA-N 2 2 247.333 0.866 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)[C@H]1CC1(F)F ZINC000638597479 352429375 /nfs/dbraw/zinc/42/93/75/352429375.db2.gz XIBNTHUJUVZMSC-HBNTYKKESA-N 2 2 247.333 0.866 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1c[nH+]c(C)[nH]1 ZINC000638572924 352402108 /nfs/dbraw/zinc/40/21/08/352402108.db2.gz IBXONPVSXPINQW-DTWKUNHWSA-N 2 2 222.292 0.588 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000070854847 180745145 /nfs/dbraw/zinc/74/51/45/180745145.db2.gz ZCKOUAJGNFDPDI-SECBINFHSA-N 2 2 222.292 0.036 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c[nH+]1 ZINC000638644643 352488443 /nfs/dbraw/zinc/48/84/43/352488443.db2.gz QRCVXDGAKQVSBO-VXNVDRBHSA-N 2 2 222.292 0.588 20 0 BCADLP Cn1cc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)cn1 ZINC000042489391 352622538 /nfs/dbraw/zinc/62/25/38/352622538.db2.gz CZDNHSZXURXCAT-NSHDSACASA-N 2 2 222.336 0.852 20 0 BCADLP Cn1cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cn1 ZINC000042489391 352622539 /nfs/dbraw/zinc/62/25/39/352622539.db2.gz CZDNHSZXURXCAT-NSHDSACASA-N 2 2 222.336 0.852 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@H](C)C1 ZINC000334204019 352797514 /nfs/dbraw/zinc/79/75/14/352797514.db2.gz VGSGXMATEMRSFR-SNVBAGLBSA-N 2 2 209.293 0.912 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@H](C)C1 ZINC000334204019 352797517 /nfs/dbraw/zinc/79/75/17/352797517.db2.gz VGSGXMATEMRSFR-SNVBAGLBSA-N 2 2 209.293 0.912 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CCCOCCOC)[C@@H](C)C1 ZINC000343034147 352941096 /nfs/dbraw/zinc/94/10/96/352941096.db2.gz MRECMVQUTWSRSO-STQMWFEESA-N 2 2 244.379 0.969 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]CCCOCCOC)[C@@H](C)C1 ZINC000343034147 352941099 /nfs/dbraw/zinc/94/10/99/352941099.db2.gz MRECMVQUTWSRSO-STQMWFEESA-N 2 2 244.379 0.969 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000343079251 352955411 /nfs/dbraw/zinc/95/54/11/352955411.db2.gz HAMNSXJNNPTKHL-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000343079251 352955416 /nfs/dbraw/zinc/95/54/16/352955416.db2.gz HAMNSXJNNPTKHL-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP CC[C@](C)(NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000638858412 353034892 /nfs/dbraw/zinc/03/48/92/353034892.db2.gz PBKOMABUHAZEKW-YPMHNXCESA-N 2 2 241.379 0.960 20 0 BCADLP C[C@@H](CC(=O)N1C[C@@H]([NH3+])C[C@H]1C)n1cc[nH+]c1 ZINC000638928274 353088359 /nfs/dbraw/zinc/08/83/59/353088359.db2.gz HCXQJIMBWIPLFJ-AXFHLTTASA-N 2 2 236.319 0.782 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000334413511 353094789 /nfs/dbraw/zinc/09/47/89/353094789.db2.gz MAENJNCXKVSNQO-VIFPVBQESA-N 2 2 222.292 0.462 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000334413511 353094791 /nfs/dbraw/zinc/09/47/91/353094791.db2.gz MAENJNCXKVSNQO-VIFPVBQESA-N 2 2 222.292 0.462 20 0 BCADLP [NH3+]CCOCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000357091718 188066219 /nfs/dbraw/zinc/06/62/19/188066219.db2.gz WJKQMIHCHXSBIQ-UHFFFAOYSA-N 3 2 238.335 0.495 20 0 BCADLP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCc2[nH+]ccn2C1 ZINC000373119961 188075759 /nfs/dbraw/zinc/07/57/59/188075759.db2.gz CXNWEMYOGWSUQB-ONGXEEELSA-N 2 2 236.319 0.297 20 0 BCADLP CC(C)C[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000336692162 188082991 /nfs/dbraw/zinc/08/29/91/188082991.db2.gz PZTWDELGGVTEJK-MNOVXSKESA-N 2 2 200.326 0.999 20 0 BCADLP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H](C)[NH3+])cn1 ZINC000037005278 188083099 /nfs/dbraw/zinc/08/30/99/188083099.db2.gz KBIKXXHTXNFISU-QMMMGPOBSA-N 2 2 245.286 0.861 20 0 BCADLP CC(C)C[C@H]([NH3+])C(=O)N(C)Cc1[nH+]ccn1C ZINC000037823005 188083136 /nfs/dbraw/zinc/08/31/36/188083136.db2.gz ZNKQBQJBACMTKS-JTQLQIEISA-N 2 2 238.335 0.752 20 0 BCADLP CC(C)C[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000336692159 188083244 /nfs/dbraw/zinc/08/32/44/188083244.db2.gz PZTWDELGGVTEJK-GHMZBOCLSA-N 2 2 200.326 0.999 20 0 BCADLP CCNC(=O)C(C)(C)[NH2+]CC[NH2+]C(C)(C)C ZINC000312818365 353170754 /nfs/dbraw/zinc/17/07/54/353170754.db2.gz FZOIYWWAXFXRDM-UHFFFAOYSA-N 2 2 229.368 0.879 20 0 BCADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000036999351 188113646 /nfs/dbraw/zinc/11/36/46/188113646.db2.gz IGUUPQDLYKNQCR-UWVGGRQHSA-N 2 2 224.308 0.371 20 0 BCADLP CC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C)C2)CC1 ZINC000042545611 188120223 /nfs/dbraw/zinc/12/02/23/188120223.db2.gz JTWUYZGAFDCJDT-LBPRGKRZSA-N 2 2 225.336 0.291 20 0 BCADLP CC(=O)N1CCC([NH2+][C@H]2CC[N@H+](C)C2)CC1 ZINC000042545611 188120225 /nfs/dbraw/zinc/12/02/25/188120225.db2.gz JTWUYZGAFDCJDT-LBPRGKRZSA-N 2 2 225.336 0.291 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000639016328 353271535 /nfs/dbraw/zinc/27/15/35/353271535.db2.gz GDYHHSSJTWUMBZ-SNVBAGLBSA-N 2 2 236.319 0.756 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000639012743 353267027 /nfs/dbraw/zinc/26/70/27/353267027.db2.gz CLFDSSMPJWAEIE-SECBINFHSA-N 2 2 222.292 0.366 20 0 BCADLP CC[C@@H]([NH2+]C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000639016507 353269082 /nfs/dbraw/zinc/26/90/82/353269082.db2.gz JQIGKVVOPXGQAC-MRVPVSSYSA-N 2 2 210.281 0.366 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251868087 353293864 /nfs/dbraw/zinc/29/38/64/353293864.db2.gz TUVXXETZLKMPMK-GHMZBOCLSA-N 2 2 227.352 0.428 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251868087 353293868 /nfs/dbraw/zinc/29/38/68/353293868.db2.gz TUVXXETZLKMPMK-GHMZBOCLSA-N 2 2 227.352 0.428 20 0 BCADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(=O)NC1CC1 ZINC000333722221 188228287 /nfs/dbraw/zinc/22/82/87/188228287.db2.gz UUAOBRIYVLRQDY-QFOLPQNPSA-N 2 2 239.363 0.630 20 0 BCADLP C[C@H]1C[C@H]([NH2+]C2(C(N)=O)CC2)CC[N@@H+]1C ZINC000639043109 353326435 /nfs/dbraw/zinc/32/64/35/353326435.db2.gz PGVCBVYLMLCDBS-DTWKUNHWSA-N 2 2 211.309 0.077 20 0 BCADLP C[C@H]1C[C@H]([NH2+]C2(C(N)=O)CC2)CC[N@H+]1C ZINC000639043109 353326439 /nfs/dbraw/zinc/32/64/39/353326439.db2.gz PGVCBVYLMLCDBS-DTWKUNHWSA-N 2 2 211.309 0.077 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]C[C@H](OC)C1CC1 ZINC000639053566 353355655 /nfs/dbraw/zinc/35/56/55/353355655.db2.gz JOWPWAPPBCRWHY-LBPRGKRZSA-N 2 2 230.352 0.315 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]C[C@H](OC)C1CC1 ZINC000639053566 353355657 /nfs/dbraw/zinc/35/56/57/353355657.db2.gz JOWPWAPPBCRWHY-LBPRGKRZSA-N 2 2 230.352 0.315 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]CC1(COC)CCC1 ZINC000639053198 353353829 /nfs/dbraw/zinc/35/38/29/353353829.db2.gz HBZLMUBIGIYWHV-UHFFFAOYSA-N 2 2 244.379 0.707 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]CC1(COC)CCC1 ZINC000639053198 353353831 /nfs/dbraw/zinc/35/38/31/353353831.db2.gz HBZLMUBIGIYWHV-UHFFFAOYSA-N 2 2 244.379 0.707 20 0 BCADLP c1cn(CCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c[nH+]1 ZINC000085283257 538116129 /nfs/dbraw/zinc/11/61/29/538116129.db2.gz FZNNXRSMZWIPIG-RYUDHWBXSA-N 3 2 220.320 0.424 20 0 BCADLP C[C@H]1CC[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000135803728 538117035 /nfs/dbraw/zinc/11/70/35/538117035.db2.gz ZIJDAQAMCOMDPJ-NWDGAFQWSA-N 2 2 239.363 0.539 20 0 BCADLP CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(F)F ZINC000639078231 353404067 /nfs/dbraw/zinc/40/40/67/353404067.db2.gz YAIODXSEAATKKY-YUMQZZPRSA-N 2 2 237.294 0.425 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]([NH3+])c1cscn1 ZINC000515831722 324115841 /nfs/dbraw/zinc/11/58/41/324115841.db2.gz GTUQVNLSSSRSGY-ZKWXMUAHSA-N 2 2 240.332 0.091 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000136192134 353612607 /nfs/dbraw/zinc/61/26/07/353612607.db2.gz CLAFBUDWMTZPFI-CYBMUJFWSA-N 2 2 239.363 0.683 20 0 BCADLP CO[C@@H](C[NH3+])CC(=O)Nc1cc[nH+]c(C)c1 ZINC000232122423 353691057 /nfs/dbraw/zinc/69/10/57/353691057.db2.gz HGQVUHHPLLZLSE-SNVBAGLBSA-N 2 2 223.276 0.692 20 0 BCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000353811797 353741975 /nfs/dbraw/zinc/74/19/75/353741975.db2.gz FBUDNHAGPKEZOS-QWRGUYRKSA-N 2 2 236.319 0.660 20 0 BCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000353811797 353741978 /nfs/dbraw/zinc/74/19/78/353741978.db2.gz FBUDNHAGPKEZOS-QWRGUYRKSA-N 2 2 236.319 0.660 20 0 BCADLP COCC[C@H](CO)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000343589340 353941073 /nfs/dbraw/zinc/94/10/73/353941073.db2.gz GOBVCGSQBKDSFO-WZRBSPASSA-N 2 2 242.363 0.456 20 0 BCADLP COCC[C@H](CO)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000343589340 353941076 /nfs/dbraw/zinc/94/10/76/353941076.db2.gz GOBVCGSQBKDSFO-WZRBSPASSA-N 2 2 242.363 0.456 20 0 BCADLP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623175776 353972941 /nfs/dbraw/zinc/97/29/41/353972941.db2.gz MFIJBDBWEJZEAW-WDEREUQCSA-N 2 2 248.330 0.266 20 0 BCADLP Cc1cccc2nc(C[N@H+](C)C[C@H](O)C[NH3+])cn21 ZINC000577955940 366139133 /nfs/dbraw/zinc/13/91/33/366139133.db2.gz MKHGDGNPKVDGNI-GFCCVEGCSA-N 2 2 248.330 0.394 20 0 BCADLP Cc1cccc2nc(C[N@@H+](C)C[C@H](O)C[NH3+])cn21 ZINC000577955940 366139140 /nfs/dbraw/zinc/13/91/40/366139140.db2.gz MKHGDGNPKVDGNI-GFCCVEGCSA-N 2 2 248.330 0.394 20 0 BCADLP Cc1cccc2[nH+]c(CN(C)C[C@H](O)C[NH3+])cn21 ZINC000577955940 366139142 /nfs/dbraw/zinc/13/91/42/366139142.db2.gz MKHGDGNPKVDGNI-GFCCVEGCSA-N 2 2 248.330 0.394 20 0 BCADLP OC[C@H]1CSCC[N@@H+]1CCn1cc[nH+]c1 ZINC000343715937 353957083 /nfs/dbraw/zinc/95/70/83/353957083.db2.gz QZHVZMYRFQSBRC-JTQLQIEISA-N 2 2 227.333 0.293 20 0 BCADLP OC[C@H]1CSCC[N@H+]1CCn1cc[nH+]c1 ZINC000343715937 353957087 /nfs/dbraw/zinc/95/70/87/353957087.db2.gz QZHVZMYRFQSBRC-JTQLQIEISA-N 2 2 227.333 0.293 20 0 BCADLP COCCOCCCC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000343918177 354041463 /nfs/dbraw/zinc/04/14/63/354041463.db2.gz QPEZRJHZLMEZGO-QWHCGFSZSA-N 2 2 244.379 0.969 20 0 BCADLP COCCOCCCC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000343918177 354041464 /nfs/dbraw/zinc/04/14/64/354041464.db2.gz QPEZRJHZLMEZGO-QWHCGFSZSA-N 2 2 244.379 0.969 20 0 BCADLP [NH3+]C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000623176313 354010270 /nfs/dbraw/zinc/01/02/70/354010270.db2.gz UMIYFXGIHHCZEO-WDEREUQCSA-N 2 2 248.330 0.299 20 0 BCADLP C[C@H](C[NH2+]Cc1cn(C)nn1)Cn1cc[nH+]c1 ZINC000343815192 354013256 /nfs/dbraw/zinc/01/32/56/354013256.db2.gz XTCAJUPNHJKJTI-SNVBAGLBSA-N 2 2 234.307 0.438 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CCN(C)CCOC)[C@@H](C)C1 ZINC000343894345 354051997 /nfs/dbraw/zinc/05/19/97/354051997.db2.gz RQNGRGFUPMSBKD-STQMWFEESA-N 2 2 243.395 0.494 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]CCN(C)CCOC)[C@@H](C)C1 ZINC000343894345 354051999 /nfs/dbraw/zinc/05/19/99/354051999.db2.gz RQNGRGFUPMSBKD-STQMWFEESA-N 2 2 243.395 0.494 20 0 BCADLP CO[C@]1(C[N@@H+]2CC[NH+]3CCC2CC3)CCOC1 ZINC000639171701 354124875 /nfs/dbraw/zinc/12/48/75/354124875.db2.gz FCQRIVKSSIIEGQ-ZDUSSCGKSA-N 2 2 240.347 0.572 20 0 BCADLP CO[C@]1(C[N@H+]2CC[NH+]3CCC2CC3)CCOC1 ZINC000639171701 354124878 /nfs/dbraw/zinc/12/48/78/354124878.db2.gz FCQRIVKSSIIEGQ-ZDUSSCGKSA-N 2 2 240.347 0.572 20 0 BCADLP C[C@@H]1C[C@@H](CO)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000344162169 354168593 /nfs/dbraw/zinc/16/85/93/354168593.db2.gz ZANNTXXMKVZNCP-NEPJUHHUSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H]1C[C@@H](CO)CC[N@H+]1CCn1cc[nH+]c1 ZINC000344162169 354168596 /nfs/dbraw/zinc/16/85/96/354168596.db2.gz ZANNTXXMKVZNCP-NEPJUHHUSA-N 2 2 223.320 0.976 20 0 BCADLP Cc1ncc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c(=O)[nH]1 ZINC000344338574 354234397 /nfs/dbraw/zinc/23/43/97/354234397.db2.gz XNBZPVWVFBNBCD-LDYMZIIASA-N 2 2 236.319 0.530 20 0 BCADLP Cc1ncc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c(=O)[nH]1 ZINC000344338574 354234401 /nfs/dbraw/zinc/23/44/01/354234401.db2.gz XNBZPVWVFBNBCD-LDYMZIIASA-N 2 2 236.319 0.530 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000344668296 354341875 /nfs/dbraw/zinc/34/18/75/354341875.db2.gz JRXFDRNXPWPFEY-XWIASGKRSA-N 2 2 234.347 0.807 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000344668296 354341880 /nfs/dbraw/zinc/34/18/80/354341880.db2.gz JRXFDRNXPWPFEY-XWIASGKRSA-N 2 2 234.347 0.807 20 0 BCADLP C[NH+]1CCC(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000344701211 354352142 /nfs/dbraw/zinc/35/21/42/354352142.db2.gz WKDLEAAQFMIRCR-UHFFFAOYSA-N 2 2 236.319 0.341 20 0 BCADLP CN(C)c1ncc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cn1 ZINC000623634538 366202469 /nfs/dbraw/zinc/20/24/69/366202469.db2.gz JQAPDXXQNKPFNH-GFCCVEGCSA-N 2 2 249.362 0.726 20 0 BCADLP CN(C)c1ncc(C[NH2+]C[C@H]2CCC[N@H+]2C)cn1 ZINC000623634538 366202475 /nfs/dbraw/zinc/20/24/75/366202475.db2.gz JQAPDXXQNKPFNH-GFCCVEGCSA-N 2 2 249.362 0.726 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C[C@H]1CS2 ZINC000578024296 366189466 /nfs/dbraw/zinc/18/94/66/366189466.db2.gz TYWGKAJIQXSNCR-DCAQKATOSA-N 2 2 230.377 0.489 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C[C@H]1CS2 ZINC000578024296 366189472 /nfs/dbraw/zinc/18/94/72/366189472.db2.gz TYWGKAJIQXSNCR-DCAQKATOSA-N 2 2 230.377 0.489 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000578024296 366189479 /nfs/dbraw/zinc/18/94/79/366189479.db2.gz TYWGKAJIQXSNCR-DCAQKATOSA-N 2 2 230.377 0.489 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000578024296 366189482 /nfs/dbraw/zinc/18/94/82/366189482.db2.gz TYWGKAJIQXSNCR-DCAQKATOSA-N 2 2 230.377 0.489 20 0 BCADLP O=C1C[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CCCN1 ZINC000639191382 354510539 /nfs/dbraw/zinc/51/05/39/354510539.db2.gz ITYXYCIOORCTDZ-ZJUUUORDSA-N 2 2 248.330 0.525 20 0 BCADLP O=C1C[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CCCN1 ZINC000639191382 354510543 /nfs/dbraw/zinc/51/05/43/354510543.db2.gz ITYXYCIOORCTDZ-ZJUUUORDSA-N 2 2 248.330 0.525 20 0 BCADLP CCCCNC(=O)[C@@H]1CCC[N@H+](CC[NH3+])C1 ZINC000345538532 354676412 /nfs/dbraw/zinc/67/64/12/354676412.db2.gz LTBRHKOCNXKIFK-LLVKDONJSA-N 2 2 227.352 0.573 20 0 BCADLP CCCCNC(=O)[C@@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000345538532 354676415 /nfs/dbraw/zinc/67/64/15/354676415.db2.gz LTBRHKOCNXKIFK-LLVKDONJSA-N 2 2 227.352 0.573 20 0 BCADLP CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CC[NH3+])C1 ZINC000345542009 354677429 /nfs/dbraw/zinc/67/74/29/354677429.db2.gz RZKNGRGWSVRIKE-NEPJUHHUSA-N 2 2 241.379 0.962 20 0 BCADLP CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000345542009 354677433 /nfs/dbraw/zinc/67/74/33/354677433.db2.gz RZKNGRGWSVRIKE-NEPJUHHUSA-N 2 2 241.379 0.962 20 0 BCADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)CC(N)=O)n2c1 ZINC000345859236 354807751 /nfs/dbraw/zinc/80/77/51/354807751.db2.gz ROYOAHJDOWDIIC-SNVBAGLBSA-N 2 2 246.314 0.996 20 0 BCADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](O)C2)C[N@@H+]1C1CC1 ZINC000449750001 202020790 /nfs/dbraw/zinc/02/07/90/202020790.db2.gz HODLAJCFWXTTLG-UXCLJVHYSA-N 2 2 210.321 0.725 20 0 BCADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](O)C2)C[N@H+]1C1CC1 ZINC000449750001 202020793 /nfs/dbraw/zinc/02/07/93/202020793.db2.gz HODLAJCFWXTTLG-UXCLJVHYSA-N 2 2 210.321 0.725 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)C2)C[N@@H+]1C1CC1 ZINC000449749999 202021096 /nfs/dbraw/zinc/02/10/96/202021096.db2.gz HODLAJCFWXTTLG-SVDPJWKOSA-N 2 2 210.321 0.725 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)C2)C[N@H+]1C1CC1 ZINC000449749999 202021099 /nfs/dbraw/zinc/02/10/99/202021099.db2.gz HODLAJCFWXTTLG-SVDPJWKOSA-N 2 2 210.321 0.725 20 0 BCADLP OC[C@H]1C[C@H](F)C[N@@H+]1CCC[NH+]1CCCC1 ZINC000346392177 354908666 /nfs/dbraw/zinc/90/86/66/354908666.db2.gz ZUFHGKSPKIGYPY-NWDGAFQWSA-N 2 2 230.327 0.877 20 0 BCADLP OC[C@H]1C[C@H](F)C[N@H+]1CCC[NH+]1CCCC1 ZINC000346392177 354908668 /nfs/dbraw/zinc/90/86/68/354908668.db2.gz ZUFHGKSPKIGYPY-NWDGAFQWSA-N 2 2 230.327 0.877 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000346556505 354967634 /nfs/dbraw/zinc/96/76/34/354967634.db2.gz XYEFYWARAVREMZ-OLZOCXBDSA-N 2 2 244.379 0.705 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000346556505 354967636 /nfs/dbraw/zinc/96/76/36/354967636.db2.gz XYEFYWARAVREMZ-OLZOCXBDSA-N 2 2 244.379 0.705 20 0 BCADLP CN(C)c1nccc(C[NH+]2CCC([NH3+])CC2)n1 ZINC000346654051 355002978 /nfs/dbraw/zinc/00/29/78/355002978.db2.gz RCSHHZNQTADNME-UHFFFAOYSA-N 2 2 235.335 0.466 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C[NH+](C)C ZINC000335206420 355042011 /nfs/dbraw/zinc/04/20/11/355042011.db2.gz BJIPLUKUQMPXFK-VHSXEESVSA-N 2 2 213.325 0.099 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C[NH+](C)C ZINC000335206420 355042014 /nfs/dbraw/zinc/04/20/14/355042014.db2.gz BJIPLUKUQMPXFK-VHSXEESVSA-N 2 2 213.325 0.099 20 0 BCADLP CC[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)CC[C@@H]1[NH3+] ZINC000147524359 491071288 /nfs/dbraw/zinc/07/12/88/491071288.db2.gz MZZZNLJJMBLRGG-MNOVXSKESA-N 2 2 241.379 0.960 20 0 BCADLP CC[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)CC[C@@H]1[NH3+] ZINC000147524359 491071289 /nfs/dbraw/zinc/07/12/89/491071289.db2.gz MZZZNLJJMBLRGG-MNOVXSKESA-N 2 2 241.379 0.960 20 0 BCADLP CC(C)c1nc(N2CCO[C@@H](C[NH3+])C2)cc[nH+]1 ZINC000420232589 192180353 /nfs/dbraw/zinc/18/03/53/192180353.db2.gz DRVMLJKKOGDPSW-JTQLQIEISA-N 2 2 236.319 0.764 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000449756862 202025025 /nfs/dbraw/zinc/02/50/25/202025025.db2.gz XDVJXUTVDMAVOE-LSKIRQOJSA-N 2 2 210.321 0.582 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000449756862 202025027 /nfs/dbraw/zinc/02/50/27/202025027.db2.gz XDVJXUTVDMAVOE-LSKIRQOJSA-N 2 2 210.321 0.582 20 0 BCADLP Cn1cnnc1C1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000346824370 355126964 /nfs/dbraw/zinc/12/69/64/355126964.db2.gz PGLUYJIAIWJUGH-UHFFFAOYSA-N 2 2 237.351 0.732 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515948 355253450 /nfs/dbraw/zinc/25/34/50/355253450.db2.gz ANOHMOXJDMPRKA-LBPRGKRZSA-N 2 2 241.379 0.738 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515948 355253452 /nfs/dbraw/zinc/25/34/52/355253452.db2.gz ANOHMOXJDMPRKA-LBPRGKRZSA-N 2 2 241.379 0.738 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)C[N@@H+]1C1CC1 ZINC000623749878 355369305 /nfs/dbraw/zinc/36/93/05/355369305.db2.gz RZDIIZNMEDFFCB-MEWQQHAOSA-N 2 2 224.348 0.972 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)C[N@H+]1C1CC1 ZINC000623749878 355369310 /nfs/dbraw/zinc/36/93/10/355369310.db2.gz RZDIIZNMEDFFCB-MEWQQHAOSA-N 2 2 224.348 0.972 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@H]2COCCO2)n1C ZINC000583511138 355347915 /nfs/dbraw/zinc/34/79/15/355347915.db2.gz RCWNZCPTJCONTD-NSHDSACASA-N 2 2 225.292 0.234 20 0 BCADLP C[C@@H]1C[C@@H](O)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000314638143 355359311 /nfs/dbraw/zinc/35/93/11/355359311.db2.gz UNLTZQONBQVSLW-ZYHUDNBSSA-N 2 2 223.320 0.808 20 0 BCADLP C[C@@H]1C[C@@H](O)C[N@H+]1CCCc1c[nH+]cn1C ZINC000314638143 355359313 /nfs/dbraw/zinc/35/93/13/355359313.db2.gz UNLTZQONBQVSLW-ZYHUDNBSSA-N 2 2 223.320 0.808 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1ccnn1C ZINC000415083002 191673364 /nfs/dbraw/zinc/67/33/64/191673364.db2.gz MPHNUVIGGJGJGJ-SNVBAGLBSA-N 2 2 210.325 0.883 20 0 BCADLP Cn1cc(CCC[N@H+](C)CC2C[NH+](C)C2)cn1 ZINC000639308562 355663847 /nfs/dbraw/zinc/66/38/47/355663847.db2.gz CWZGTOGWMAWMOR-UHFFFAOYSA-N 2 2 236.363 0.846 20 0 BCADLP Cn1cc(CCC[N@@H+](C)CC2C[NH+](C)C2)cn1 ZINC000639308562 355663851 /nfs/dbraw/zinc/66/38/51/355663851.db2.gz CWZGTOGWMAWMOR-UHFFFAOYSA-N 2 2 236.363 0.846 20 0 BCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C[NH+](C)C ZINC000336003231 134048007 /nfs/dbraw/zinc/04/80/07/134048007.db2.gz JJWBDPDEGAZBFO-NSHDSACASA-N 2 2 227.352 0.347 20 0 BCADLP CCOC1CC(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000639356981 355811474 /nfs/dbraw/zinc/81/14/74/355811474.db2.gz ISOQYDMWSUVBMV-CPCZMJQVSA-N 2 2 242.363 0.458 20 0 BCADLP CCOC1CC(C[NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000639356981 355811476 /nfs/dbraw/zinc/81/14/76/355811476.db2.gz ISOQYDMWSUVBMV-CPCZMJQVSA-N 2 2 242.363 0.458 20 0 BCADLP CCCNC(=O)C[NH2+]C1CC[NH+](CCC)CC1 ZINC000035135831 355846081 /nfs/dbraw/zinc/84/60/81/355846081.db2.gz ODCWNWOKETWPGR-UHFFFAOYSA-N 2 2 241.379 0.977 20 0 BCADLP CCn1c[nH+]cc1C[N@H+](C)[C@]1(CO)CCOC1 ZINC000628368021 355862669 /nfs/dbraw/zinc/86/26/69/355862669.db2.gz HGAOIPCHFUXEPU-LBPRGKRZSA-N 2 2 239.319 0.486 20 0 BCADLP CCn1c[nH+]cc1C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000628368021 355862671 /nfs/dbraw/zinc/86/26/71/355862671.db2.gz HGAOIPCHFUXEPU-LBPRGKRZSA-N 2 2 239.319 0.486 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000167360266 355985923 /nfs/dbraw/zinc/98/59/23/355985923.db2.gz XOSCDSIIQAUYEB-ZJUUUORDSA-N 2 2 227.352 0.583 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000167360266 355985924 /nfs/dbraw/zinc/98/59/24/355985924.db2.gz XOSCDSIIQAUYEB-ZJUUUORDSA-N 2 2 227.352 0.583 20 0 BCADLP CCn1c(C)nnc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351480230 355996738 /nfs/dbraw/zinc/99/67/38/355996738.db2.gz UVXFOPNEAGBZSP-SDDRHHMPSA-N 2 2 249.362 0.776 20 0 BCADLP CCn1c(C)nnc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351480230 355996739 /nfs/dbraw/zinc/99/67/39/355996739.db2.gz UVXFOPNEAGBZSP-SDDRHHMPSA-N 2 2 249.362 0.776 20 0 BCADLP COC1CC([NH+](C)C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000352114672 134069714 /nfs/dbraw/zinc/06/97/14/134069714.db2.gz BQWBZEULJTWLDX-CPCZMJQVSA-N 2 2 242.363 0.551 20 0 BCADLP Cn1ncnc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000389326565 355966427 /nfs/dbraw/zinc/96/64/27/355966427.db2.gz LIGJDLOKZUYDJH-SECBINFHSA-N 2 2 223.324 0.293 20 0 BCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623258225 356065334 /nfs/dbraw/zinc/06/53/34/356065334.db2.gz LCUCYVPFSSNFPA-MNOVXSKESA-N 2 2 248.330 0.266 20 0 BCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623258225 356065337 /nfs/dbraw/zinc/06/53/37/356065337.db2.gz LCUCYVPFSSNFPA-MNOVXSKESA-N 2 2 248.330 0.266 20 0 BCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623258224 356065074 /nfs/dbraw/zinc/06/50/74/356065074.db2.gz LCUCYVPFSSNFPA-GHMZBOCLSA-N 2 2 248.330 0.266 20 0 BCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623258224 356065080 /nfs/dbraw/zinc/06/50/80/356065080.db2.gz LCUCYVPFSSNFPA-GHMZBOCLSA-N 2 2 248.330 0.266 20 0 BCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](C)C1 ZINC000617550210 356092591 /nfs/dbraw/zinc/09/25/91/356092591.db2.gz LLLQITKUKQNPPA-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](C)C1 ZINC000617550210 356092596 /nfs/dbraw/zinc/09/25/96/356092596.db2.gz LLLQITKUKQNPPA-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2nnc(C3CC3)n2C)C1 ZINC000351863558 356100529 /nfs/dbraw/zinc/10/05/29/356100529.db2.gz UKAGEOUGFCLPLJ-ONGXEEELSA-N 2 2 249.362 0.862 20 0 BCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2nnc(C3CC3)n2C)C1 ZINC000351863558 356100535 /nfs/dbraw/zinc/10/05/35/356100535.db2.gz UKAGEOUGFCLPLJ-ONGXEEELSA-N 2 2 249.362 0.862 20 0 BCADLP Cc1cc(C)c(CNC(=O)NCCC[NH3+])c[nH+]1 ZINC000418260251 192006823 /nfs/dbraw/zinc/00/68/23/192006823.db2.gz HVHLQBATALEQON-UHFFFAOYSA-N 2 2 236.319 0.846 20 0 BCADLP CCC[N@H+](CCO)CCc1c[nH+]cn1C ZINC000639451126 356236465 /nfs/dbraw/zinc/23/64/65/356236465.db2.gz BPKFNLDGDONPRT-UHFFFAOYSA-N 2 2 211.309 0.667 20 0 BCADLP CCC[N@@H+](CCO)CCc1c[nH+]cn1C ZINC000639451126 356236468 /nfs/dbraw/zinc/23/64/68/356236468.db2.gz BPKFNLDGDONPRT-UHFFFAOYSA-N 2 2 211.309 0.667 20 0 BCADLP Cc1cc(C)c(C[NH+](CCO)CCO)c(C)[nH+]1 ZINC000639475576 356270680 /nfs/dbraw/zinc/27/06/80/356270680.db2.gz ZARHICFYDPXTDA-UHFFFAOYSA-N 2 2 238.331 0.793 20 0 BCADLP Cn1c[nH+]cc1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000639457223 356242139 /nfs/dbraw/zinc/24/21/39/356242139.db2.gz QSEGXHYFPOAKBG-GHMZBOCLSA-N 3 2 220.320 0.114 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CCN1c1nc[nH+]c(N)c1Cl ZINC000420259791 192190031 /nfs/dbraw/zinc/19/00/31/192190031.db2.gz ZGKDKFCBFMYXEB-WDSKDSINSA-N 2 2 227.699 0.638 20 0 BCADLP CC[NH+](CC)CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623265495 356298504 /nfs/dbraw/zinc/29/85/04/356298504.db2.gz HOYGHIVSTOFNPF-JTQLQIEISA-N 2 2 236.319 0.266 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623265815 356299346 /nfs/dbraw/zinc/29/93/46/356299346.db2.gz LLHKYCPIAZCMPC-GXSJLCMTSA-N 2 2 234.303 0.018 20 0 BCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623265815 356299348 /nfs/dbraw/zinc/29/93/48/356299348.db2.gz LLHKYCPIAZCMPC-GXSJLCMTSA-N 2 2 234.303 0.018 20 0 BCADLP C[NH2+][C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420274977 192198378 /nfs/dbraw/zinc/19/83/78/192198378.db2.gz PPKSBFKVDHUDNY-NWDGAFQWSA-N 3 2 211.353 0.670 20 0 BCADLP C[NH2+][C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420274977 192198381 /nfs/dbraw/zinc/19/83/81/192198381.db2.gz PPKSBFKVDHUDNY-NWDGAFQWSA-N 3 2 211.353 0.670 20 0 BCADLP CCc1nnc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)[nH]1 ZINC000333826749 356309437 /nfs/dbraw/zinc/30/94/37/356309437.db2.gz LSOKWXLFNYZNHC-VHSXEESVSA-N 2 2 237.351 0.845 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](CCCO)C1CC1 ZINC000639492970 356314805 /nfs/dbraw/zinc/31/48/05/356314805.db2.gz NNUWUJLWXJTEGZ-UHFFFAOYSA-N 2 2 223.320 0.809 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](CCCO)C1CC1 ZINC000639492970 356314806 /nfs/dbraw/zinc/31/48/06/356314806.db2.gz NNUWUJLWXJTEGZ-UHFFFAOYSA-N 2 2 223.320 0.809 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@H](C)[NH+](C)C ZINC000617757885 356318293 /nfs/dbraw/zinc/31/82/93/356318293.db2.gz CRGWKYJCJPCPGF-VIFPVBQESA-N 2 2 238.335 0.717 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)NCC[C@H](C)[NH+](C)C ZINC000617757885 356318297 /nfs/dbraw/zinc/31/82/97/356318297.db2.gz CRGWKYJCJPCPGF-VIFPVBQESA-N 2 2 238.335 0.717 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H](C)[NH+](C)C ZINC000617757884 356318419 /nfs/dbraw/zinc/31/84/19/356318419.db2.gz CRGWKYJCJPCPGF-SECBINFHSA-N 2 2 238.335 0.717 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)NCC[C@@H](C)[NH+](C)C ZINC000617757884 356318423 /nfs/dbraw/zinc/31/84/23/356318423.db2.gz CRGWKYJCJPCPGF-SECBINFHSA-N 2 2 238.335 0.717 20 0 BCADLP CCCCCNC(=O)C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000420293000 192203011 /nfs/dbraw/zinc/20/30/11/192203011.db2.gz MIBBFDLBDNCSII-GFCCVEGCSA-N 2 2 241.379 0.834 20 0 BCADLP CCCCCNC(=O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000420293000 192203013 /nfs/dbraw/zinc/20/30/13/192203013.db2.gz MIBBFDLBDNCSII-GFCCVEGCSA-N 2 2 241.379 0.834 20 0 BCADLP C[C@@H]1C[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768909 356330943 /nfs/dbraw/zinc/33/09/43/356330943.db2.gz YSFIXPLIXQOLTM-NEPJUHHUSA-N 2 2 241.379 0.642 20 0 BCADLP C[C@@H]1C[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768909 356330944 /nfs/dbraw/zinc/33/09/44/356330944.db2.gz YSFIXPLIXQOLTM-NEPJUHHUSA-N 2 2 241.379 0.642 20 0 BCADLP CCOC(=O)CC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420341533 192216279 /nfs/dbraw/zinc/21/62/79/192216279.db2.gz OSXLYSFXQNCNPJ-WDEREUQCSA-N 2 2 226.320 0.623 20 0 BCADLP CCOC(=O)CC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420341533 192216281 /nfs/dbraw/zinc/21/62/81/192216281.db2.gz OSXLYSFXQNCNPJ-WDEREUQCSA-N 2 2 226.320 0.623 20 0 BCADLP CCCCNC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420353417 192217787 /nfs/dbraw/zinc/21/77/87/192217787.db2.gz ALIAWTAXIRDQMB-NQBHXWOUSA-N 2 2 241.379 0.879 20 0 BCADLP CCCCNC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420353423 192217802 /nfs/dbraw/zinc/21/78/02/192217802.db2.gz ALIAWTAXIRDQMB-NTZNESFSSA-N 2 2 241.379 0.879 20 0 BCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420351625 192218157 /nfs/dbraw/zinc/21/81/57/192218157.db2.gz AAQYGIKHZVYONZ-OUAUKWLOSA-N 2 2 227.352 0.521 20 0 BCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420351625 192218159 /nfs/dbraw/zinc/21/81/59/192218159.db2.gz AAQYGIKHZVYONZ-OUAUKWLOSA-N 2 2 227.352 0.521 20 0 BCADLP CC(C)N1CCC[C@H]([N@@H+]2CC[C@H]([NH3+])[C@@H]2C)C1=O ZINC000420353658 192218383 /nfs/dbraw/zinc/21/83/83/192218383.db2.gz NNVGUNOJULMLGA-SRVKXCTJSA-N 2 2 239.363 0.807 20 0 BCADLP CC(C)N1CCC[C@H]([N@H+]2CC[C@H]([NH3+])[C@@H]2C)C1=O ZINC000420353658 192218384 /nfs/dbraw/zinc/21/83/84/192218384.db2.gz NNVGUNOJULMLGA-SRVKXCTJSA-N 2 2 239.363 0.807 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](CC[C@@H]2CCCCO2)CCO1 ZINC000420304795 192208940 /nfs/dbraw/zinc/20/89/40/192208940.db2.gz JCUXAMGSJXYBOX-RYUDHWBXSA-N 2 2 228.336 0.605 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](CC[C@@H]2CCCCO2)CCO1 ZINC000420304795 192208943 /nfs/dbraw/zinc/20/89/43/192208943.db2.gz JCUXAMGSJXYBOX-RYUDHWBXSA-N 2 2 228.336 0.605 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000420304738 192209164 /nfs/dbraw/zinc/20/91/64/192209164.db2.gz YKVYUYGTJAFHII-LLVKDONJSA-N 2 2 227.352 0.539 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000420304738 192209167 /nfs/dbraw/zinc/20/91/67/192209167.db2.gz YKVYUYGTJAFHII-LLVKDONJSA-N 2 2 227.352 0.539 20 0 BCADLP NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000275592999 181268252 /nfs/dbraw/zinc/26/82/52/181268252.db2.gz JSFGHFYMPQICFA-GHMZBOCLSA-N 2 2 236.319 0.517 20 0 BCADLP CC[C@H](C)NC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420368540 192226481 /nfs/dbraw/zinc/22/64/81/192226481.db2.gz NPRMWUVBILJGEW-MRBYEJRBSA-N 2 2 241.379 0.877 20 0 BCADLP CC[C@@H](C)NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420370453 192226891 /nfs/dbraw/zinc/22/68/91/192226891.db2.gz VTVRHRQONSIUGT-NXEZZACHSA-N 2 2 229.368 0.864 20 0 BCADLP CC(C)CNC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420371470 192227946 /nfs/dbraw/zinc/22/79/46/192227946.db2.gz PMVQQKWMTYGFHB-NQBHXWOUSA-N 2 2 241.379 0.735 20 0 BCADLP CC(C)CNC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420371471 192227976 /nfs/dbraw/zinc/22/79/76/192227976.db2.gz PMVQQKWMTYGFHB-NTZNESFSSA-N 2 2 241.379 0.735 20 0 BCADLP CC[C@H](C)NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420370455 192228490 /nfs/dbraw/zinc/22/84/90/192228490.db2.gz VTVRHRQONSIUGT-VHSXEESVSA-N 2 2 229.368 0.864 20 0 BCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623271192 356385916 /nfs/dbraw/zinc/38/59/16/356385916.db2.gz VGGFSGZICQZZHT-SNVBAGLBSA-N 2 2 236.319 0.264 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623271192 356385921 /nfs/dbraw/zinc/38/59/21/356385921.db2.gz VGGFSGZICQZZHT-SNVBAGLBSA-N 2 2 236.319 0.264 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420358161 192220038 /nfs/dbraw/zinc/22/00/38/192220038.db2.gz FBCZPOZVDBOEOD-LBPRGKRZSA-N 3 2 211.353 0.671 20 0 BCADLP C[NH2+]CCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420358161 192220040 /nfs/dbraw/zinc/22/00/40/192220040.db2.gz FBCZPOZVDBOEOD-LBPRGKRZSA-N 3 2 211.353 0.671 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)Cc1cn[nH]c1 ZINC000639534929 356387259 /nfs/dbraw/zinc/38/72/59/356387259.db2.gz GVNMZSCGRMJHFO-UHFFFAOYSA-N 2 2 219.292 0.818 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1cn[nH]c1 ZINC000639534929 356387263 /nfs/dbraw/zinc/38/72/63/356387263.db2.gz GVNMZSCGRMJHFO-UHFFFAOYSA-N 2 2 219.292 0.818 20 0 BCADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)N(C)C ZINC000420361145 192222017 /nfs/dbraw/zinc/22/20/17/192222017.db2.gz HVHLWUIKMULSSF-VPOLOUISSA-N 2 2 227.352 0.439 20 0 BCADLP CC[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(N)=O ZINC000420360502 192222572 /nfs/dbraw/zinc/22/25/72/192222572.db2.gz HHBDAWOXSZSFKH-DOLQZWNJSA-N 2 2 213.325 0.226 20 0 BCADLP C[C@@H]1C[N@H+](CCC(=O)NC2CCCC2)C[C@H]1[NH3+] ZINC000420361400 192222848 /nfs/dbraw/zinc/22/28/48/192222848.db2.gz GWUDQRILQUZFQW-ZYHUDNBSSA-N 2 2 239.363 0.714 20 0 BCADLP C[C@@H]1C[N@@H+](CCC(=O)NC2CCCC2)C[C@H]1[NH3+] ZINC000420361400 192222850 /nfs/dbraw/zinc/22/28/50/192222850.db2.gz GWUDQRILQUZFQW-ZYHUDNBSSA-N 2 2 239.363 0.714 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000420381560 192235395 /nfs/dbraw/zinc/23/53/95/192235395.db2.gz XZCSUFSXLLBAKC-CYBMUJFWSA-N 2 2 242.363 0.723 20 0 BCADLP C[NH2+]CCC[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000420381560 192235398 /nfs/dbraw/zinc/23/53/98/192235398.db2.gz XZCSUFSXLLBAKC-CYBMUJFWSA-N 2 2 242.363 0.723 20 0 BCADLP CNC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C)C2)cc1 ZINC000042546079 356415397 /nfs/dbraw/zinc/41/53/97/356415397.db2.gz JLKWRPSWRQQUEU-ZDUSSCGKSA-N 2 2 247.342 0.840 20 0 BCADLP CNC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C2)cc1 ZINC000042546079 356415400 /nfs/dbraw/zinc/41/54/00/356415400.db2.gz JLKWRPSWRQQUEU-ZDUSSCGKSA-N 2 2 247.342 0.840 20 0 BCADLP C[N@H+](CC[NH3+])CCC(=O)N1CCc2ccccc21 ZINC000420389751 192237552 /nfs/dbraw/zinc/23/75/52/192237552.db2.gz YSERZDUDRBIFJT-UHFFFAOYSA-N 2 2 247.342 0.856 20 0 BCADLP C[N@@H+](CC[NH3+])CCC(=O)N1CCc2ccccc21 ZINC000420389751 192237554 /nfs/dbraw/zinc/23/75/54/192237554.db2.gz YSERZDUDRBIFJT-UHFFFAOYSA-N 2 2 247.342 0.856 20 0 BCADLP NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCn1cc[nH+]c1 ZINC000368971878 181275156 /nfs/dbraw/zinc/27/51/56/181275156.db2.gz DNKIQQMOUSIEBL-SRVKXCTJSA-N 2 2 248.330 0.469 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@@H]([NH3+])CCSC)CC1 ZINC000011754922 356421620 /nfs/dbraw/zinc/42/16/20/356421620.db2.gz IHNIHSUDBXNIKF-JTQLQIEISA-N 2 2 245.392 0.231 20 0 BCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCn1cc[nH+]c1 ZINC000368971881 181273240 /nfs/dbraw/zinc/27/32/40/181273240.db2.gz DNKIQQMOUSIEBL-UTUOFQBUSA-N 2 2 248.330 0.469 20 0 BCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCn1cc[nH+]c1 ZINC000368971881 181273243 /nfs/dbraw/zinc/27/32/43/181273243.db2.gz DNKIQQMOUSIEBL-UTUOFQBUSA-N 2 2 248.330 0.469 20 0 BCADLP CNC(=O)CCC[N@H+](C)CCc1c[nH+]cn1C ZINC000639544695 356404707 /nfs/dbraw/zinc/40/47/07/356404707.db2.gz HFMAIGIOIRAHNW-UHFFFAOYSA-N 2 2 238.335 0.421 20 0 BCADLP CNC(=O)CCC[N@@H+](C)CCc1c[nH+]cn1C ZINC000639544695 356404709 /nfs/dbraw/zinc/40/47/09/356404709.db2.gz HFMAIGIOIRAHNW-UHFFFAOYSA-N 2 2 238.335 0.421 20 0 BCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC000420377339 192232855 /nfs/dbraw/zinc/23/28/55/192232855.db2.gz WEMOKWNLKXJKNF-MDZLAQPJSA-N 2 2 239.363 0.585 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420378378 192233435 /nfs/dbraw/zinc/23/34/35/192233435.db2.gz QKOZWEIRPUFKBU-ZYHUDNBSSA-N 3 2 222.336 0.861 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420378378 192233436 /nfs/dbraw/zinc/23/34/36/192233436.db2.gz QKOZWEIRPUFKBU-ZYHUDNBSSA-N 3 2 222.336 0.861 20 0 BCADLP Cc1[nH+]ccn1CCCN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420378378 192233438 /nfs/dbraw/zinc/23/34/38/192233438.db2.gz QKOZWEIRPUFKBU-ZYHUDNBSSA-N 2 2 222.336 0.861 20 0 BCADLP C[C@@H]1C[C@@H](O)C[N@@H+]1CCc1c[nH+]cn1C ZINC000639551697 356437381 /nfs/dbraw/zinc/43/73/81/356437381.db2.gz NBCSTGRJLJCKFJ-MWLCHTKSSA-N 2 2 209.293 0.418 20 0 BCADLP C[C@@H]1C[C@@H](O)C[N@H+]1CCc1c[nH+]cn1C ZINC000639551697 356437383 /nfs/dbraw/zinc/43/73/83/356437383.db2.gz NBCSTGRJLJCKFJ-MWLCHTKSSA-N 2 2 209.293 0.418 20 0 BCADLP CN(CCC[NH+](C)C)C(=O)CCn1cc[nH+]c1 ZINC000540517369 324903643 /nfs/dbraw/zinc/90/36/43/324903643.db2.gz MAHLHTLDUJPVBD-UHFFFAOYSA-N 2 2 238.335 0.683 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000336170956 134115286 /nfs/dbraw/zinc/11/52/86/134115286.db2.gz PSOXGDGDQRLYOS-QWRGUYRKSA-N 2 2 225.336 0.420 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000336170956 134115287 /nfs/dbraw/zinc/11/52/87/134115287.db2.gz PSOXGDGDQRLYOS-QWRGUYRKSA-N 2 2 225.336 0.420 20 0 BCADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CC[C@H]1O ZINC000639600408 356520432 /nfs/dbraw/zinc/52/04/32/356520432.db2.gz YFNRFQMUVZQGBT-ZYHUDNBSSA-N 2 2 223.320 0.665 20 0 BCADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CC[C@H]1O ZINC000639600408 356520436 /nfs/dbraw/zinc/52/04/36/356520436.db2.gz YFNRFQMUVZQGBT-ZYHUDNBSSA-N 2 2 223.320 0.665 20 0 BCADLP C[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@@H]1CO ZINC000639604086 356524696 /nfs/dbraw/zinc/52/46/96/356524696.db2.gz JTFQQUDZMOTMPP-ZYHUDNBSSA-N 2 2 223.320 0.665 20 0 BCADLP C[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@@H]1CO ZINC000639604086 356524698 /nfs/dbraw/zinc/52/46/98/356524698.db2.gz JTFQQUDZMOTMPP-ZYHUDNBSSA-N 2 2 223.320 0.665 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCOCC12CC2 ZINC000639630988 356545176 /nfs/dbraw/zinc/54/51/76/356545176.db2.gz MSORQMRZIUOEEE-UHFFFAOYSA-N 2 2 221.304 0.827 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCOCC12CC2 ZINC000639630988 356545180 /nfs/dbraw/zinc/54/51/80/356545180.db2.gz MSORQMRZIUOEEE-UHFFFAOYSA-N 2 2 221.304 0.827 20 0 BCADLP CC[N@H+](CCc1c[nH+]cn1C)[C@@H]1CCNC1=O ZINC000639624889 356539124 /nfs/dbraw/zinc/53/91/24/356539124.db2.gz LCZRDIMKMVDHEG-LLVKDONJSA-N 2 2 236.319 0.173 20 0 BCADLP CC[N@@H+](CCc1c[nH+]cn1C)[C@@H]1CCNC1=O ZINC000639624889 356539128 /nfs/dbraw/zinc/53/91/28/356539128.db2.gz LCZRDIMKMVDHEG-LLVKDONJSA-N 2 2 236.319 0.173 20 0 BCADLP CN(Cc1[nH+]ccn1C)C[C@@H]1CCC[N@@H+]1C ZINC000420997256 192294418 /nfs/dbraw/zinc/29/44/18/192294418.db2.gz GVSDOSAICXBWOY-NSHDSACASA-N 2 2 222.336 0.946 20 0 BCADLP CN(Cc1[nH+]ccn1C)C[C@@H]1CCC[N@H+]1C ZINC000420997256 192294420 /nfs/dbraw/zinc/29/44/20/192294420.db2.gz GVSDOSAICXBWOY-NSHDSACASA-N 2 2 222.336 0.946 20 0 BCADLP C[NH+](C)C1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000623298615 356555160 /nfs/dbraw/zinc/55/51/60/356555160.db2.gz FWZNEXANOLIQFQ-SNVBAGLBSA-N 2 2 248.330 0.408 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)C1(CO)CC1 ZINC000639643869 356556443 /nfs/dbraw/zinc/55/64/43/356556443.db2.gz PFJWHBUOGCRVDT-UHFFFAOYSA-N 2 2 209.293 0.419 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)C1(CO)CC1 ZINC000639643869 356556448 /nfs/dbraw/zinc/55/64/48/356556448.db2.gz PFJWHBUOGCRVDT-UHFFFAOYSA-N 2 2 209.293 0.419 20 0 BCADLP COCCOCC[N@H+](C)CCc1c[nH+]cn1C ZINC000639644797 356558469 /nfs/dbraw/zinc/55/84/69/356558469.db2.gz BLCVROALOCEEGI-UHFFFAOYSA-N 2 2 241.335 0.557 20 0 BCADLP COCCOCC[N@@H+](C)CCc1c[nH+]cn1C ZINC000639644797 356558472 /nfs/dbraw/zinc/55/84/72/356558472.db2.gz BLCVROALOCEEGI-UHFFFAOYSA-N 2 2 241.335 0.557 20 0 BCADLP CC[C@@H](CO)[N@H+](C)CCc1c[nH+]cn1C ZINC000639658698 356566903 /nfs/dbraw/zinc/56/69/03/356566903.db2.gz CGUKSMJPSRNQBE-JTQLQIEISA-N 2 2 211.309 0.665 20 0 BCADLP CC[C@@H](CO)[N@@H+](C)CCc1c[nH+]cn1C ZINC000639658698 356566905 /nfs/dbraw/zinc/56/69/05/356566905.db2.gz CGUKSMJPSRNQBE-JTQLQIEISA-N 2 2 211.309 0.665 20 0 BCADLP Cn1c[nH+]cc1CCN1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000639652900 356565159 /nfs/dbraw/zinc/56/51/59/356565159.db2.gz OYURARCCXSCKIX-YPMHNXCESA-N 2 2 234.347 0.599 20 0 BCADLP Cn1c[nH+]cc1CCN1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000639652900 356565161 /nfs/dbraw/zinc/56/51/61/356565161.db2.gz OYURARCCXSCKIX-YPMHNXCESA-N 2 2 234.347 0.599 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000336212063 134134672 /nfs/dbraw/zinc/13/46/72/134134672.db2.gz FHCJAFXJFAHZOZ-RKDXNWHRSA-N 2 2 232.287 0.800 20 0 BCADLP C[C@@H]1C[C@@H](CO)C[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639673522 356590394 /nfs/dbraw/zinc/59/03/94/356590394.db2.gz FCZVTTLWSDYTHU-VXGBXAGGSA-N 2 2 237.347 0.913 20 0 BCADLP C[C@@H]1C[C@@H](CO)C[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639673522 356590396 /nfs/dbraw/zinc/59/03/96/356590396.db2.gz FCZVTTLWSDYTHU-VXGBXAGGSA-N 2 2 237.347 0.913 20 0 BCADLP C[C@@H]1C[C@H](CO)C[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639673519 356590502 /nfs/dbraw/zinc/59/05/02/356590502.db2.gz FCZVTTLWSDYTHU-NEPJUHHUSA-N 2 2 237.347 0.913 20 0 BCADLP C[C@@H]1C[C@H](CO)C[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639673519 356590505 /nfs/dbraw/zinc/59/05/05/356590505.db2.gz FCZVTTLWSDYTHU-NEPJUHHUSA-N 2 2 237.347 0.913 20 0 BCADLP OC[C@@H](CC1CCCC1)[NH2+][C@H]1CC[NH2+]C1 ZINC000423033733 192546078 /nfs/dbraw/zinc/54/60/78/192546078.db2.gz ZVCBVUBUCTUYIW-NWDGAFQWSA-N 2 2 212.337 0.879 20 0 BCADLP CC[C@@H]1C[N@H+](CCN[C@H]2CC[NH2+]C2)CCO1 ZINC000423091153 192564138 /nfs/dbraw/zinc/56/41/38/192564138.db2.gz WVFYNNZUIGZXCN-NWDGAFQWSA-N 2 2 227.352 0.049 20 0 BCADLP CC[C@@H]1C[N@@H+](CCN[C@H]2CC[NH2+]C2)CCO1 ZINC000423091153 192564140 /nfs/dbraw/zinc/56/41/40/192564140.db2.gz WVFYNNZUIGZXCN-NWDGAFQWSA-N 2 2 227.352 0.049 20 0 BCADLP CC[C@@H]1CN(CC[NH2+][C@H]2CC[NH2+]C2)CCO1 ZINC000423091153 192564142 /nfs/dbraw/zinc/56/41/42/192564142.db2.gz WVFYNNZUIGZXCN-NWDGAFQWSA-N 2 2 227.352 0.049 20 0 BCADLP CC(C)(C)NC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000088288201 356656282 /nfs/dbraw/zinc/65/62/82/356656282.db2.gz RMQBIVRXIAVZMG-UWVGGRQHSA-N 2 2 225.336 0.052 20 0 BCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2ccccn2)C1 ZINC000639760774 356675708 /nfs/dbraw/zinc/67/57/08/356675708.db2.gz CZXICURCBQHZRW-AWEZNQCLSA-N 2 2 249.358 0.970 20 0 BCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2ccccn2)C1 ZINC000639760774 356675709 /nfs/dbraw/zinc/67/57/09/356675709.db2.gz CZXICURCBQHZRW-AWEZNQCLSA-N 2 2 249.358 0.970 20 0 BCADLP CCOC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000167665369 134153959 /nfs/dbraw/zinc/15/39/59/134153959.db2.gz RNLUBVNQUVMYIH-NXEZZACHSA-N 2 2 214.309 0.466 20 0 BCADLP CCOC(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000167665369 134153960 /nfs/dbraw/zinc/15/39/60/134153960.db2.gz RNLUBVNQUVMYIH-NXEZZACHSA-N 2 2 214.309 0.466 20 0 BCADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@H](C)O)C1 ZINC000212248407 356709400 /nfs/dbraw/zinc/70/94/00/356709400.db2.gz BVXJTBWAVOGAIK-GHMZBOCLSA-N 2 2 200.326 0.830 20 0 BCADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@H](C)O)C1 ZINC000212248407 356709402 /nfs/dbraw/zinc/70/94/02/356709402.db2.gz BVXJTBWAVOGAIK-GHMZBOCLSA-N 2 2 200.326 0.830 20 0 BCADLP CCN(C)C(=O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000354238023 356732969 /nfs/dbraw/zinc/73/29/69/356732969.db2.gz GOSSTJXKHVMCCA-UHFFFAOYSA-N 2 2 241.379 0.881 20 0 BCADLP CCN(C)C(=O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000354238023 356732971 /nfs/dbraw/zinc/73/29/71/356732971.db2.gz GOSSTJXKHVMCCA-UHFFFAOYSA-N 2 2 241.379 0.881 20 0 BCADLP Cc1c[nH+]cn1CC(=O)NCCCn1cc[nH+]c1 ZINC000623365327 356834221 /nfs/dbraw/zinc/83/42/21/356834221.db2.gz QYYLZBUYRZXXAZ-UHFFFAOYSA-N 2 2 247.302 0.595 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CCO1 ZINC000623758550 356813954 /nfs/dbraw/zinc/81/39/54/356813954.db2.gz GLRLQOVJDAVGNG-IJLUTSLNSA-N 2 2 228.336 0.210 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)CCO1 ZINC000623758550 356813955 /nfs/dbraw/zinc/81/39/55/356813955.db2.gz GLRLQOVJDAVGNG-IJLUTSLNSA-N 2 2 228.336 0.210 20 0 BCADLP CO[C@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000639832570 356818582 /nfs/dbraw/zinc/81/85/82/356818582.db2.gz ANUOXTMMGNFFCT-LLVKDONJSA-N 2 2 225.292 0.578 20 0 BCADLP CO[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000639832570 356818586 /nfs/dbraw/zinc/81/85/86/356818586.db2.gz ANUOXTMMGNFFCT-LLVKDONJSA-N 2 2 225.292 0.578 20 0 BCADLP CO[C@H]1C[N@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000639839841 356831258 /nfs/dbraw/zinc/83/12/58/356831258.db2.gz UXAZRTKKDHQQSU-GFCCVEGCSA-N 2 2 239.319 0.657 20 0 BCADLP CO[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000639839841 356831262 /nfs/dbraw/zinc/83/12/62/356831262.db2.gz UXAZRTKKDHQQSU-GFCCVEGCSA-N 2 2 239.319 0.657 20 0 BCADLP CO[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CCO1 ZINC000639840086 356831901 /nfs/dbraw/zinc/83/19/01/356831901.db2.gz VNTHHNICVLJSBO-NSHDSACASA-N 2 2 225.292 0.267 20 0 BCADLP CO[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CCO1 ZINC000639840086 356831903 /nfs/dbraw/zinc/83/19/03/356831903.db2.gz VNTHHNICVLJSBO-NSHDSACASA-N 2 2 225.292 0.267 20 0 BCADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)C(N)=O)n2c1 ZINC000155711900 538729222 /nfs/dbraw/zinc/72/92/22/538729222.db2.gz DMDGBNCRXVHRDX-SECBINFHSA-N 2 2 232.287 0.606 20 0 BCADLP C[C@]1(CO)C[C@@H](O)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000639852728 356856618 /nfs/dbraw/zinc/85/66/18/356856618.db2.gz GWONJSHUUKWMRK-VXGBXAGGSA-N 2 2 239.319 0.091 20 0 BCADLP C[C@]1(CO)C[C@@H](O)C[N@H+]1CCCn1cc[nH+]c1 ZINC000639852728 356856619 /nfs/dbraw/zinc/85/66/19/356856619.db2.gz GWONJSHUUKWMRK-VXGBXAGGSA-N 2 2 239.319 0.091 20 0 BCADLP CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423184218 192614801 /nfs/dbraw/zinc/61/48/01/192614801.db2.gz NFZQNCGKVPGMTK-GMTAPVOTSA-N 2 2 227.352 0.630 20 0 BCADLP OCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000257775550 538754670 /nfs/dbraw/zinc/75/46/70/538754670.db2.gz WFNOKJDBJPNAHW-LBPRGKRZSA-N 2 2 228.336 0.165 20 0 BCADLP OCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000257775550 538754673 /nfs/dbraw/zinc/75/46/73/538754673.db2.gz WFNOKJDBJPNAHW-LBPRGKRZSA-N 2 2 228.336 0.165 20 0 BCADLP C[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC000582274922 356992775 /nfs/dbraw/zinc/99/27/75/356992775.db2.gz DJBYYYSQRQAQFZ-UHFFFAOYSA-N 2 2 236.319 0.341 20 0 BCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC000582297031 357031779 /nfs/dbraw/zinc/03/17/79/357031779.db2.gz JKZSNBCJUMOIKJ-NWDGAFQWSA-N 2 2 248.330 0.436 20 0 BCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC000582297031 357031783 /nfs/dbraw/zinc/03/17/83/357031783.db2.gz JKZSNBCJUMOIKJ-NWDGAFQWSA-N 2 2 248.330 0.436 20 0 BCADLP CC(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000639868526 357008089 /nfs/dbraw/zinc/00/80/89/357008089.db2.gz VEXOSSYHPRBORL-LBPRGKRZSA-N 2 2 228.336 0.618 20 0 BCADLP CC(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000639868526 357008090 /nfs/dbraw/zinc/00/80/90/357008090.db2.gz VEXOSSYHPRBORL-LBPRGKRZSA-N 2 2 228.336 0.618 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000389945578 357073267 /nfs/dbraw/zinc/07/32/67/357073267.db2.gz QMTNWGNVYQRVOM-ZJUUUORDSA-N 2 2 213.325 0.182 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000389945578 357073270 /nfs/dbraw/zinc/07/32/70/357073270.db2.gz QMTNWGNVYQRVOM-ZJUUUORDSA-N 2 2 213.325 0.182 20 0 BCADLP CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C(C)C ZINC000390460217 357094901 /nfs/dbraw/zinc/09/49/01/357094901.db2.gz BVYMAYRRBCPIAW-LBPRGKRZSA-N 2 2 232.368 0.656 20 0 BCADLP CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C(C)C ZINC000390460217 357094903 /nfs/dbraw/zinc/09/49/03/357094903.db2.gz BVYMAYRRBCPIAW-LBPRGKRZSA-N 2 2 232.368 0.656 20 0 BCADLP CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C(C)C ZINC000390460217 357094907 /nfs/dbraw/zinc/09/49/07/357094907.db2.gz BVYMAYRRBCPIAW-LBPRGKRZSA-N 2 2 232.368 0.656 20 0 BCADLP CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C(C)C ZINC000390460217 357094912 /nfs/dbraw/zinc/09/49/12/357094912.db2.gz BVYMAYRRBCPIAW-LBPRGKRZSA-N 2 2 232.368 0.656 20 0 BCADLP Cc1cc(C)c(C[NH+]2C[C@H](O)[C@@H](O)C2)c(C)[nH+]1 ZINC000639890162 357204766 /nfs/dbraw/zinc/20/47/66/357204766.db2.gz PFTSARSMNOGAQN-STQMWFEESA-N 2 2 236.315 0.544 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)NCCn1cc[nH+]c1 ZINC000357064114 538824981 /nfs/dbraw/zinc/82/49/81/538824981.db2.gz GLTGRDKCUDBFGC-UHFFFAOYSA-N 2 2 248.290 0.116 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623408516 357405794 /nfs/dbraw/zinc/40/57/94/357405794.db2.gz YVTXJHWIHXAAGY-NWDGAFQWSA-N 3 2 243.395 0.371 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623408516 357405796 /nfs/dbraw/zinc/40/57/96/357405796.db2.gz YVTXJHWIHXAAGY-NWDGAFQWSA-N 3 2 243.395 0.371 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@H](C)O ZINC000582960835 357439052 /nfs/dbraw/zinc/43/90/52/357439052.db2.gz VULRFJHBIKWUGL-KXUCPTDWSA-N 2 2 209.293 0.557 20 0 BCADLP CC[C@](C)(O)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000583154895 357497669 /nfs/dbraw/zinc/49/76/69/357497669.db2.gz JOMJYGMGXXNTJQ-NSHDSACASA-N 2 2 211.309 0.979 20 0 BCADLP CC[C@H](O)C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000583020237 357451482 /nfs/dbraw/zinc/45/14/82/357451482.db2.gz ZKWFSTQAYLHTNY-QWRGUYRKSA-N 2 2 232.393 0.784 20 0 BCADLP [NH3+]CCNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000063180584 357552582 /nfs/dbraw/zinc/55/25/82/357552582.db2.gz DNJMUKSGHSKVNR-NSHDSACASA-N 2 2 248.330 0.373 20 0 BCADLP CCCC[N@H+](CC)CC(=O)N1CC[NH+](C)CC1 ZINC000131821007 325186366 /nfs/dbraw/zinc/18/63/66/325186366.db2.gz CEQZZFNMBPLBTL-UHFFFAOYSA-N 2 2 241.379 0.882 20 0 BCADLP CCCC[N@@H+](CC)CC(=O)N1CC[NH+](C)CC1 ZINC000131821007 325186370 /nfs/dbraw/zinc/18/63/70/325186370.db2.gz CEQZZFNMBPLBTL-UHFFFAOYSA-N 2 2 241.379 0.882 20 0 BCADLP CCN(C)C(=O)[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000231841905 357627481 /nfs/dbraw/zinc/62/74/81/357627481.db2.gz XVJSNCILIYSJMA-LLVKDONJSA-N 2 2 241.379 0.927 20 0 BCADLP CNC(=O)[C@@H](C)C[N@H+](C)CC[NH2+]C(C)(C)C ZINC000230978524 357586083 /nfs/dbraw/zinc/58/60/83/357586083.db2.gz ZMQZUFLIGAVNIE-JTQLQIEISA-N 2 2 229.368 0.688 20 0 BCADLP CNC(=O)[C@@H](C)C[N@@H+](C)CC[NH2+]C(C)(C)C ZINC000230978524 357586087 /nfs/dbraw/zinc/58/60/87/357586087.db2.gz ZMQZUFLIGAVNIE-JTQLQIEISA-N 2 2 229.368 0.688 20 0 BCADLP CCC(CC)C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000159062885 538873806 /nfs/dbraw/zinc/87/38/06/538873806.db2.gz GRIQFNKOPHFILW-UHFFFAOYSA-N 2 2 241.379 0.786 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC1(O)CCC1 ZINC000397628269 357616676 /nfs/dbraw/zinc/61/66/76/357616676.db2.gz LAEUNAHMKHZQQK-NEPJUHHUSA-N 2 2 242.363 0.648 20 0 BCADLP C[C@H]1C(=O)NCCC[N@H+]1CCn1cc[nH+]c1 ZINC000189345803 357633414 /nfs/dbraw/zinc/63/34/14/357633414.db2.gz BRBSGNMXRNUUJT-JTQLQIEISA-N 2 2 222.292 0.094 20 0 BCADLP C[C@H]1C(=O)NCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000189345803 357633417 /nfs/dbraw/zinc/63/34/17/357633417.db2.gz BRBSGNMXRNUUJT-JTQLQIEISA-N 2 2 222.292 0.094 20 0 BCADLP C[NH2+]C[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000583270590 357776681 /nfs/dbraw/zinc/77/66/81/357776681.db2.gz ZSNGGFSHFGYJLB-WDEREUQCSA-N 2 2 238.335 0.806 20 0 BCADLP CC[NH+]1CCN(CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000191406373 357769291 /nfs/dbraw/zinc/76/92/91/357769291.db2.gz KVJBICWWXKBZEY-CYBMUJFWSA-N 2 2 241.379 0.345 20 0 BCADLP CC[NH+]1CCN(CC[N@H+]2CCOC[C@H]2C)CC1 ZINC000191406373 357769294 /nfs/dbraw/zinc/76/92/94/357769294.db2.gz KVJBICWWXKBZEY-CYBMUJFWSA-N 2 2 241.379 0.345 20 0 BCADLP CC[NH+](CC)CCC[N@@H+]1CCCN(C)C(=O)C1 ZINC000191895475 357803106 /nfs/dbraw/zinc/80/31/06/357803106.db2.gz DLALQLFDZBAJNA-UHFFFAOYSA-N 2 2 241.379 0.882 20 0 BCADLP CC[NH+](CC)CCC[N@H+]1CCCN(C)C(=O)C1 ZINC000191895475 357803109 /nfs/dbraw/zinc/80/31/09/357803109.db2.gz DLALQLFDZBAJNA-UHFFFAOYSA-N 2 2 241.379 0.882 20 0 BCADLP C[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000192985898 357863069 /nfs/dbraw/zinc/86/30/69/357863069.db2.gz JMDSIZJXUIUTIR-VXGBXAGGSA-N 2 2 228.336 0.021 20 0 BCADLP C[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000192985898 357863071 /nfs/dbraw/zinc/86/30/71/357863071.db2.gz JMDSIZJXUIUTIR-VXGBXAGGSA-N 2 2 228.336 0.021 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399178941 357897270 /nfs/dbraw/zinc/89/72/70/357897270.db2.gz KWJLSBGCXWXDNJ-KOLCDFICSA-N 2 2 236.319 0.515 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000584421693 357918107 /nfs/dbraw/zinc/91/81/07/357918107.db2.gz ALTNSFMPUBXUKU-SECBINFHSA-N 2 2 237.307 0.303 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000584421693 357918109 /nfs/dbraw/zinc/91/81/09/357918109.db2.gz ALTNSFMPUBXUKU-SECBINFHSA-N 2 2 237.307 0.303 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000583823924 357958830 /nfs/dbraw/zinc/95/88/30/357958830.db2.gz MUAXWCKWLHRKNW-JTQLQIEISA-N 2 2 237.307 0.288 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000583823924 357958833 /nfs/dbraw/zinc/95/88/33/357958833.db2.gz MUAXWCKWLHRKNW-JTQLQIEISA-N 2 2 237.307 0.288 20 0 BCADLP COC[C@](C)(O)CC[NH2+]Cc1c[nH+]c(C)n1C ZINC000583824005 357958967 /nfs/dbraw/zinc/95/89/67/357958967.db2.gz PNMQNTXDQFXIPO-GFCCVEGCSA-N 2 2 241.335 0.606 20 0 BCADLP COC[C@@](C)(CO)[NH2+]CCCn1cc[nH+]c1 ZINC000639957609 357982070 /nfs/dbraw/zinc/98/20/70/357982070.db2.gz QKUOVKGOXFUVGV-LLVKDONJSA-N 2 2 227.308 0.260 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000584474737 357991356 /nfs/dbraw/zinc/99/13/56/357991356.db2.gz GBPYAAJUKMBKNV-CMPLNLGQSA-N 2 2 230.352 0.456 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000584474737 357991358 /nfs/dbraw/zinc/99/13/58/357991358.db2.gz GBPYAAJUKMBKNV-CMPLNLGQSA-N 2 2 230.352 0.456 20 0 BCADLP CCc1nncn1CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000546677868 325300760 /nfs/dbraw/zinc/30/07/60/325300760.db2.gz PITFYPBHAYVXCP-WDEREUQCSA-N 2 2 237.351 0.380 20 0 BCADLP CCc1nncn1CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000546677846 325300877 /nfs/dbraw/zinc/30/08/77/325300877.db2.gz PITFYPBHAYVXCP-GHMZBOCLSA-N 2 2 237.351 0.380 20 0 BCADLP CCc1nncn1CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000546677846 325300881 /nfs/dbraw/zinc/30/08/81/325300881.db2.gz PITFYPBHAYVXCP-GHMZBOCLSA-N 2 2 237.351 0.380 20 0 BCADLP CO[C@@H]1C[N@H+](Cc2c[nH+]cn2C)[C@](C)(CO)C1 ZINC000640003397 358046219 /nfs/dbraw/zinc/04/62/19/358046219.db2.gz OCUPHRQEUMELDP-RYUDHWBXSA-N 2 2 239.319 0.392 20 0 BCADLP CO[C@@H]1C[N@@H+](Cc2c[nH+]cn2C)[C@](C)(CO)C1 ZINC000640003397 358046222 /nfs/dbraw/zinc/04/62/22/358046222.db2.gz OCUPHRQEUMELDP-RYUDHWBXSA-N 2 2 239.319 0.392 20 0 BCADLP CO[C@H]1C[N@H+](Cc2c[nH+]cn2C)[C@@](C)(CO)C1 ZINC000640003399 358046824 /nfs/dbraw/zinc/04/68/24/358046824.db2.gz OCUPHRQEUMELDP-VXGBXAGGSA-N 2 2 239.319 0.392 20 0 BCADLP CO[C@H]1C[N@@H+](Cc2c[nH+]cn2C)[C@@](C)(CO)C1 ZINC000640003399 358046829 /nfs/dbraw/zinc/04/68/29/358046829.db2.gz OCUPHRQEUMELDP-VXGBXAGGSA-N 2 2 239.319 0.392 20 0 BCADLP O=C(C[NH2+]C1CC1)NCCCn1cc[nH+]c1 ZINC000037476925 358071102 /nfs/dbraw/zinc/07/11/02/358071102.db2.gz KUPASVZMWBRSTJ-UHFFFAOYSA-N 2 2 222.292 0.141 20 0 BCADLP C[C@H]1C[C@H]([NH2+]Cc2cn[nH]c2)CC[N@@H+]1C ZINC000090720554 363596238 /nfs/dbraw/zinc/59/62/38/363596238.db2.gz IBECXNCORDBSED-GXSJLCMTSA-N 2 2 208.309 0.982 20 0 BCADLP C[C@H]1C[C@H]([NH2+]Cc2cn[nH]c2)CC[N@H+]1C ZINC000090720554 363596243 /nfs/dbraw/zinc/59/62/43/363596243.db2.gz IBECXNCORDBSED-GXSJLCMTSA-N 2 2 208.309 0.982 20 0 BCADLP C[N@H+](CCCS(C)(=O)=O)[C@H]1CCC[NH2+]CC1 ZINC000217935170 134251013 /nfs/dbraw/zinc/25/10/13/134251013.db2.gz POKCTTRPKLJQLM-NSHDSACASA-N 2 2 248.392 0.495 20 0 BCADLP C[N@@H+](CCCS(C)(=O)=O)[C@H]1CCC[NH2+]CC1 ZINC000217935170 134251014 /nfs/dbraw/zinc/25/10/14/134251014.db2.gz POKCTTRPKLJQLM-NSHDSACASA-N 2 2 248.392 0.495 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CSC[NH2+]1 ZINC000037822962 358095368 /nfs/dbraw/zinc/09/53/68/358095368.db2.gz LAFDKKCMMPHQEJ-MRVPVSSYSA-N 2 2 240.332 0.041 20 0 BCADLP CCn1cc[nH+]c1CNC[C@@H](C)[NH+](C)C ZINC000051923978 358101289 /nfs/dbraw/zinc/10/12/89/358101289.db2.gz DVVLLQNKIONOTH-SNVBAGLBSA-N 2 2 210.325 0.943 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000584598441 358112349 /nfs/dbraw/zinc/11/23/49/358112349.db2.gz ISBKWLXINAYNDT-CHWSQXEVSA-N 3 2 240.395 0.093 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000584598441 358112352 /nfs/dbraw/zinc/11/23/52/358112352.db2.gz ISBKWLXINAYNDT-CHWSQXEVSA-N 3 2 240.395 0.093 20 0 BCADLP C[C@@H]1C[C@H]1C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640065694 358154019 /nfs/dbraw/zinc/15/40/19/358154019.db2.gz ZSRIVVNBRVZYDB-NEPJUHHUSA-N 2 2 239.363 0.348 20 0 BCADLP C[NH2+]CCN(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000584767542 358171367 /nfs/dbraw/zinc/17/13/67/358171367.db2.gz FEHRLDCCUMICGU-UHFFFAOYSA-N 2 2 236.319 0.803 20 0 BCADLP NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000335299582 181295392 /nfs/dbraw/zinc/29/53/92/181295392.db2.gz NHPKMGSCLNRIPB-OLZOCXBDSA-N 2 2 245.326 0.579 20 0 BCADLP NC(=O)c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000335299582 181295395 /nfs/dbraw/zinc/29/53/95/181295395.db2.gz NHPKMGSCLNRIPB-OLZOCXBDSA-N 2 2 245.326 0.579 20 0 BCADLP Oc1ccc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000628465057 358223341 /nfs/dbraw/zinc/22/33/41/358223341.db2.gz RMQAHEHRZKZMML-CYBMUJFWSA-N 2 2 236.315 0.548 20 0 BCADLP Oc1ccc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000628465057 358223346 /nfs/dbraw/zinc/22/33/46/358223346.db2.gz RMQAHEHRZKZMML-CYBMUJFWSA-N 2 2 236.315 0.548 20 0 BCADLP Cc1cnn(C)c1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668538499 491127241 /nfs/dbraw/zinc/12/72/41/491127241.db2.gz AUXGMDFBBQFBAS-UHFFFAOYSA-N 2 2 222.336 0.722 20 0 BCADLP CC(C)COC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000226061696 358333267 /nfs/dbraw/zinc/33/32/67/358333267.db2.gz WDCHLANNPQTUPZ-STQMWFEESA-N 2 2 244.379 0.704 20 0 BCADLP CC(C)COC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000226061696 358333268 /nfs/dbraw/zinc/33/32/68/358333268.db2.gz WDCHLANNPQTUPZ-STQMWFEESA-N 2 2 244.379 0.704 20 0 BCADLP CCOC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000226049243 358333317 /nfs/dbraw/zinc/33/33/17/358333317.db2.gz MPCZQBGWZNPUAQ-GHMZBOCLSA-N 2 2 216.325 0.068 20 0 BCADLP CCOC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000226049243 358333318 /nfs/dbraw/zinc/33/33/18/358333318.db2.gz MPCZQBGWZNPUAQ-GHMZBOCLSA-N 2 2 216.325 0.068 20 0 BCADLP COC(=O)CCC[N@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000226418761 358338953 /nfs/dbraw/zinc/33/89/53/358338953.db2.gz RAQXQWPEHQEUQN-MNOVXSKESA-N 2 2 244.335 0.378 20 0 BCADLP COC(=O)CCC[N@@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000226418761 358338956 /nfs/dbraw/zinc/33/89/56/358338956.db2.gz RAQXQWPEHQEUQN-MNOVXSKESA-N 2 2 244.335 0.378 20 0 BCADLP COC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000226790808 358344183 /nfs/dbraw/zinc/34/41/83/358344183.db2.gz RSXYPMZQFCFUPV-GHMZBOCLSA-N 2 2 200.326 0.953 20 0 BCADLP COC[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000226790808 358344187 /nfs/dbraw/zinc/34/41/87/358344187.db2.gz RSXYPMZQFCFUPV-GHMZBOCLSA-N 2 2 200.326 0.953 20 0 BCADLP COC(=O)[C@@H]([NH2+]CCn1cc[nH+]c1)C(C)C ZINC000043442251 358376244 /nfs/dbraw/zinc/37/62/44/358376244.db2.gz FXJKMLCCGOMINO-JTQLQIEISA-N 2 2 225.292 0.670 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+]CC[C@H]2CCOC2)C1 ZINC000628465137 358398821 /nfs/dbraw/zinc/39/88/21/358398821.db2.gz UNRQDIKNADMFGH-NWDGAFQWSA-N 2 2 228.336 0.069 20 0 BCADLP O[C@@H]1CC[N@@H+](CC[NH2+]CC[C@H]2CCOC2)C1 ZINC000628465137 358398824 /nfs/dbraw/zinc/39/88/24/358398824.db2.gz UNRQDIKNADMFGH-NWDGAFQWSA-N 2 2 228.336 0.069 20 0 BCADLP CC(C)[C@@H]([NH3+])C(=O)NCCCCn1cc[nH+]c1 ZINC000045109165 358401576 /nfs/dbraw/zinc/40/15/76/358401576.db2.gz ZZPJVGCFLDVWCL-LLVKDONJSA-N 2 2 238.335 0.763 20 0 BCADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c(C)cn2C1)C(N)=O ZINC000112540200 358446821 /nfs/dbraw/zinc/44/68/21/358446821.db2.gz QCBCGRZEHCJTEJ-VHSXEESVSA-N 2 2 236.319 0.360 20 0 BCADLP CC(C)C[N@H+](CC[C@H]1CCC[NH+]1C)CC(N)=O ZINC000124865187 358528293 /nfs/dbraw/zinc/52/82/93/358528293.db2.gz JRNLKFAJGDEKTF-GFCCVEGCSA-N 2 2 241.379 0.914 20 0 BCADLP CC(C)C[N@@H+](CC[C@H]1CCC[NH+]1C)CC(N)=O ZINC000124865187 358528297 /nfs/dbraw/zinc/52/82/97/358528297.db2.gz JRNLKFAJGDEKTF-GFCCVEGCSA-N 2 2 241.379 0.914 20 0 BCADLP CC(C)C[NH+](CC[C@H]1CCC[N@@H+]1C)CC(N)=O ZINC000124865187 358528299 /nfs/dbraw/zinc/52/82/99/358528299.db2.gz JRNLKFAJGDEKTF-GFCCVEGCSA-N 2 2 241.379 0.914 20 0 BCADLP CC(C)C[NH+](CC[C@H]1CCC[N@H+]1C)CC(N)=O ZINC000124865187 358528302 /nfs/dbraw/zinc/52/83/02/358528302.db2.gz JRNLKFAJGDEKTF-GFCCVEGCSA-N 2 2 241.379 0.914 20 0 BCADLP C[C@@H](C[NH2+]CCCn1cc[nH+]c1)S(C)(=O)=O ZINC000567103646 358585406 /nfs/dbraw/zinc/58/54/06/358585406.db2.gz LBJXOPWLOOGZLF-JTQLQIEISA-N 2 2 245.348 0.296 20 0 BCADLP CC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131307167 358670463 /nfs/dbraw/zinc/67/04/63/358670463.db2.gz WQGUZFSJXKBCFW-NSHDSACASA-N 2 2 225.336 0.420 20 0 BCADLP CC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131307167 358670467 /nfs/dbraw/zinc/67/04/67/358670467.db2.gz WQGUZFSJXKBCFW-NSHDSACASA-N 2 2 225.336 0.420 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CC2CC2)C[C@H](C)O1 ZINC000578232186 366463498 /nfs/dbraw/zinc/46/34/98/366463498.db2.gz KYFMMFMRUOOASB-NTZNESFSSA-N 2 2 242.363 0.456 20 0 BCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CC2CC2)C[C@H](C)O1 ZINC000578232186 366463501 /nfs/dbraw/zinc/46/35/01/366463501.db2.gz KYFMMFMRUOOASB-NTZNESFSSA-N 2 2 242.363 0.456 20 0 BCADLP CNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136087887 358862200 /nfs/dbraw/zinc/86/22/00/358862200.db2.gz WHZKAESKBMCJBS-MNOVXSKESA-N 2 2 236.319 0.512 20 0 BCADLP CNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136087887 358862201 /nfs/dbraw/zinc/86/22/01/358862201.db2.gz WHZKAESKBMCJBS-MNOVXSKESA-N 2 2 236.319 0.512 20 0 BCADLP Cc1ccncc1C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000135461258 358839867 /nfs/dbraw/zinc/83/98/67/358839867.db2.gz NFZCTSVXCPPBIB-AWEZNQCLSA-N 2 2 248.374 0.725 20 0 BCADLP Cc1ccncc1C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000135461258 358839868 /nfs/dbraw/zinc/83/98/68/358839868.db2.gz NFZCTSVXCPPBIB-AWEZNQCLSA-N 2 2 248.374 0.725 20 0 BCADLP CC(=O)NCC[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000578324032 366512580 /nfs/dbraw/zinc/51/25/80/366512580.db2.gz FRRZUUDWEMBZCP-UHFFFAOYSA-N 2 2 246.314 0.902 20 0 BCADLP CC(=O)NCC[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000578324032 366512583 /nfs/dbraw/zinc/51/25/83/366512583.db2.gz FRRZUUDWEMBZCP-UHFFFAOYSA-N 2 2 246.314 0.902 20 0 BCADLP C[C@@H](F)CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000578336125 366526752 /nfs/dbraw/zinc/52/67/52/366526752.db2.gz JPLOROSYQRYQEX-ZJUUUORDSA-N 2 2 246.330 0.019 20 0 BCADLP C[C@@H](F)CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000578336125 366526757 /nfs/dbraw/zinc/52/67/57/366526757.db2.gz JPLOROSYQRYQEX-ZJUUUORDSA-N 2 2 246.330 0.019 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2CCOC2)n1C ZINC000070143614 359043081 /nfs/dbraw/zinc/04/30/81/359043081.db2.gz QKFUFNQVETWSFM-SNVBAGLBSA-N 2 2 238.335 0.612 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000309662051 358989154 /nfs/dbraw/zinc/98/91/54/358989154.db2.gz YFPLGOPYURXNFR-RYUDHWBXSA-N 3 2 211.353 0.527 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000309662051 358989160 /nfs/dbraw/zinc/98/91/60/358989160.db2.gz YFPLGOPYURXNFR-RYUDHWBXSA-N 3 2 211.353 0.527 20 0 BCADLP CCCC[C@@H]([NH3+])C(=O)NCc1[nH+]ccn1C ZINC000070855005 359065108 /nfs/dbraw/zinc/06/51/08/359065108.db2.gz VJMVFLJKPCXECF-SECBINFHSA-N 2 2 224.308 0.554 20 0 BCADLP CN1CC[C@@H]([N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000246818806 359167697 /nfs/dbraw/zinc/16/76/97/359167697.db2.gz BVGMTMBDLPCJPS-WDEREUQCSA-N 2 2 225.336 0.101 20 0 BCADLP CN1CC[C@@H]([N@H+]2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000246818806 359167701 /nfs/dbraw/zinc/16/77/01/359167701.db2.gz BVGMTMBDLPCJPS-WDEREUQCSA-N 2 2 225.336 0.101 20 0 BCADLP NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075836233 359226862 /nfs/dbraw/zinc/22/68/62/359226862.db2.gz WYDYGCLVOPCMOI-LLVKDONJSA-N 2 2 225.336 0.280 20 0 BCADLP NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075836233 359226867 /nfs/dbraw/zinc/22/68/67/359226867.db2.gz WYDYGCLVOPCMOI-LLVKDONJSA-N 2 2 225.336 0.280 20 0 BCADLP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000580431310 359543003 /nfs/dbraw/zinc/54/30/03/359543003.db2.gz ITYNYLMWEJBFJX-QWRGUYRKSA-N 3 2 213.369 0.949 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCOC[C@H]1C ZINC000379578175 359552836 /nfs/dbraw/zinc/55/28/36/359552836.db2.gz STHHAOBEGMGBHL-VWYCJHECSA-N 2 2 200.326 0.951 20 0 BCADLP CCn1cc[nH+]c1CNC(=O)N(C)CCC[NH3+] ZINC000580451405 359559490 /nfs/dbraw/zinc/55/94/90/359559490.db2.gz GIAAAODFKCPSJH-UHFFFAOYSA-N 2 2 239.323 0.393 20 0 BCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC000580480982 359577412 /nfs/dbraw/zinc/57/74/12/359577412.db2.gz XCXZUGJEZOXFOK-VXGBXAGGSA-N 2 2 248.330 0.436 20 0 BCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC000580480982 359577418 /nfs/dbraw/zinc/57/74/18/359577418.db2.gz XCXZUGJEZOXFOK-VXGBXAGGSA-N 2 2 248.330 0.436 20 0 BCADLP C[C@@H]1CN(c2nc[nH+]c(N)c2Cl)CC[C@H]1[NH3+] ZINC000578610672 366607693 /nfs/dbraw/zinc/60/76/93/366607693.db2.gz RMCFKVMLTZQQPI-RNFRBKRXSA-N 2 2 241.726 0.886 20 0 BCADLP C[C@@H]1CN(c2[nH+]cnc(N)c2Cl)CC[C@H]1[NH3+] ZINC000578610672 366607702 /nfs/dbraw/zinc/60/77/02/366607702.db2.gz RMCFKVMLTZQQPI-RNFRBKRXSA-N 2 2 241.726 0.886 20 0 BCADLP Cc1cncc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000578740339 366635093 /nfs/dbraw/zinc/63/50/93/366635093.db2.gz CLNCVQISAVTJIY-AWEZNQCLSA-N 2 2 249.358 0.935 20 0 BCADLP Cc1cncc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000578740339 366635101 /nfs/dbraw/zinc/63/51/01/366635101.db2.gz CLNCVQISAVTJIY-AWEZNQCLSA-N 2 2 249.358 0.935 20 0 BCADLP C[NH+](C)C1(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000612696163 360011330 /nfs/dbraw/zinc/01/13/30/360011330.db2.gz RCHPBSRQWOOUIK-SECBINFHSA-N 2 2 248.330 0.477 20 0 BCADLP C[NH+](C)C1(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000612696163 360011334 /nfs/dbraw/zinc/01/13/34/360011334.db2.gz RCHPBSRQWOOUIK-SECBINFHSA-N 2 2 248.330 0.477 20 0 BCADLP Cn1nncc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092253405 360159447 /nfs/dbraw/zinc/15/94/47/360159447.db2.gz PIFPULQIPQLXSJ-LLVKDONJSA-N 2 2 237.351 0.589 20 0 BCADLP Cn1nncc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092253405 360159451 /nfs/dbraw/zinc/15/94/51/360159451.db2.gz PIFPULQIPQLXSJ-LLVKDONJSA-N 2 2 237.351 0.589 20 0 BCADLP Cn1nncc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253405 360159456 /nfs/dbraw/zinc/15/94/56/360159456.db2.gz PIFPULQIPQLXSJ-LLVKDONJSA-N 2 2 237.351 0.589 20 0 BCADLP Cn1nncc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253405 360159460 /nfs/dbraw/zinc/15/94/60/360159460.db2.gz PIFPULQIPQLXSJ-LLVKDONJSA-N 2 2 237.351 0.589 20 0 BCADLP NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430651194 192884397 /nfs/dbraw/zinc/88/43/97/192884397.db2.gz VVGHFOWMNSFSGZ-WCQYABFASA-N 2 2 247.342 0.884 20 0 BCADLP NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430651194 192884398 /nfs/dbraw/zinc/88/43/98/192884398.db2.gz VVGHFOWMNSFSGZ-WCQYABFASA-N 2 2 247.342 0.884 20 0 BCADLP CC[C@H](C)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093192865 360221971 /nfs/dbraw/zinc/22/19/71/360221971.db2.gz MSSRDNHJUZLKJC-NSHDSACASA-N 2 2 227.352 0.491 20 0 BCADLP CC[C@H](C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093192865 360221972 /nfs/dbraw/zinc/22/19/72/360221972.db2.gz MSSRDNHJUZLKJC-NSHDSACASA-N 2 2 227.352 0.491 20 0 BCADLP Nc1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc[nH+]1 ZINC000094465274 360308658 /nfs/dbraw/zinc/30/86/58/360308658.db2.gz VPQMOBMMORXGDO-GFCCVEGCSA-N 2 2 232.331 0.944 20 0 BCADLP Nc1cc(CN2CC[N@H+]3CCC[C@@H]3C2)cc[nH+]1 ZINC000094465274 360308661 /nfs/dbraw/zinc/30/86/61/360308661.db2.gz VPQMOBMMORXGDO-GFCCVEGCSA-N 2 2 232.331 0.944 20 0 BCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)COC ZINC000163447166 200724375 /nfs/dbraw/zinc/72/43/75/200724375.db2.gz QUJHHJVABNBCKS-RYUDHWBXSA-N 2 2 230.352 0.722 20 0 BCADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)COC ZINC000163447166 200724377 /nfs/dbraw/zinc/72/43/77/200724377.db2.gz QUJHHJVABNBCKS-RYUDHWBXSA-N 2 2 230.352 0.722 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1Nc1nc[nH+]c(N)c1OC ZINC000629380121 361029955 /nfs/dbraw/zinc/02/99/55/361029955.db2.gz LCGAKSQHMYHZDN-JGVFFNPUSA-N 2 2 237.307 0.620 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629399840 361050750 /nfs/dbraw/zinc/05/07/50/361050750.db2.gz CNXYSJFTBMWVBZ-DGCLKSJQSA-N 3 2 241.379 0.424 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629399840 361050754 /nfs/dbraw/zinc/05/07/54/361050754.db2.gz CNXYSJFTBMWVBZ-DGCLKSJQSA-N 3 2 241.379 0.424 20 0 BCADLP C[NH2+]CCOCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000629406837 361053678 /nfs/dbraw/zinc/05/36/78/361053678.db2.gz ZFMRXPWNYBLKAS-NWDGAFQWSA-N 3 2 241.379 0.437 20 0 BCADLP C[NH2+]CCOCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000629406837 361053684 /nfs/dbraw/zinc/05/36/84/361053684.db2.gz ZFMRXPWNYBLKAS-NWDGAFQWSA-N 3 2 241.379 0.437 20 0 BCADLP Cc1nn(C)c2ncc(C[NH2+][C@@H]3CC[NH2+]C3)cc12 ZINC000629409595 361058174 /nfs/dbraw/zinc/05/81/74/361058174.db2.gz LCYQKPGESBCKBJ-LLVKDONJSA-N 2 2 245.330 0.728 20 0 BCADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629519049 361118829 /nfs/dbraw/zinc/11/88/29/361118829.db2.gz DTWDBJXQEAXOHI-NWDGAFQWSA-N 3 2 241.379 0.744 20 0 BCADLP CC(C)CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424289754 200898487 /nfs/dbraw/zinc/89/84/87/200898487.db2.gz CCOIBESVHNAYFA-GHMZBOCLSA-N 2 2 227.352 0.618 20 0 BCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000629511762 361105699 /nfs/dbraw/zinc/10/56/99/361105699.db2.gz QOVLWJUPDOZJMA-NSHDSACASA-N 2 2 237.351 0.648 20 0 BCADLP CCn1nnc(C)c1C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000629511762 361105703 /nfs/dbraw/zinc/10/57/03/361105703.db2.gz QOVLWJUPDOZJMA-NSHDSACASA-N 2 2 237.351 0.648 20 0 BCADLP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)CC[C@@H]1[NH3+] ZINC000629510458 361108959 /nfs/dbraw/zinc/10/89/59/361108959.db2.gz UNTWNWGBPQGSOE-MNOVXSKESA-N 2 2 241.379 0.818 20 0 BCADLP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)CC[C@@H]1[NH3+] ZINC000629510458 361108961 /nfs/dbraw/zinc/10/89/61/361108961.db2.gz UNTWNWGBPQGSOE-MNOVXSKESA-N 2 2 241.379 0.818 20 0 BCADLP Nc1ncccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000629531920 361150334 /nfs/dbraw/zinc/15/03/34/361150334.db2.gz DVZTUNHSZJYWFR-JQWIXIFHSA-N 2 2 232.331 0.848 20 0 BCADLP Nc1ncccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000629531920 361150337 /nfs/dbraw/zinc/15/03/37/361150337.db2.gz DVZTUNHSZJYWFR-JQWIXIFHSA-N 2 2 232.331 0.848 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000424368407 200923510 /nfs/dbraw/zinc/92/35/10/200923510.db2.gz PWCXAVMOVKMGLS-SNVBAGLBSA-N 2 2 223.324 0.652 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000424368407 200923513 /nfs/dbraw/zinc/92/35/13/200923513.db2.gz PWCXAVMOVKMGLS-SNVBAGLBSA-N 2 2 223.324 0.652 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCC(N)=O)C[N@@H+]1C1CC1 ZINC000162911419 361186727 /nfs/dbraw/zinc/18/67/27/361186727.db2.gz MJORYOZWGZQBKL-RKDXNWHRSA-N 2 2 211.309 0.077 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCC(N)=O)C[N@H+]1C1CC1 ZINC000162911419 361186732 /nfs/dbraw/zinc/18/67/32/361186732.db2.gz MJORYOZWGZQBKL-RKDXNWHRSA-N 2 2 211.309 0.077 20 0 BCADLP [NH3+]C1(C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000237919170 181326201 /nfs/dbraw/zinc/32/62/01/181326201.db2.gz VZKNAMOCOUPASF-UHFFFAOYSA-N 2 2 244.298 0.484 20 0 BCADLP CN(CCC[NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000579004891 366692674 /nfs/dbraw/zinc/69/26/74/366692674.db2.gz ABESJKXHMKSCAU-UHFFFAOYSA-N 2 2 239.323 0.263 20 0 BCADLP Cc1nnc(C[NH+]2CCC(C[NH+](C)C)CC2)[nH]1 ZINC000428458267 201019291 /nfs/dbraw/zinc/01/92/91/201019291.db2.gz KTAOYYVINFYRAO-UHFFFAOYSA-N 2 2 237.351 0.887 20 0 BCADLP C[C@H]([NH3+])CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000622044481 370677272 /nfs/dbraw/zinc/67/72/72/370677272.db2.gz HPPGHLYDAIBBNI-WCQGTBRESA-N 3 2 227.352 0.080 20 0 BCADLP C[C@H]1C[C@@H](O)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000429113462 201068521 /nfs/dbraw/zinc/06/85/21/201068521.db2.gz IKFQHEKIVCOPRR-QWRGUYRKSA-N 2 2 209.293 0.728 20 0 BCADLP C[C@H]1C[C@@H](O)CC[N@H+]1CCn1cc[nH+]c1 ZINC000429113462 201068522 /nfs/dbraw/zinc/06/85/22/201068522.db2.gz IKFQHEKIVCOPRR-QWRGUYRKSA-N 2 2 209.293 0.728 20 0 BCADLP CCC[N@H+](CCC[NH+](CC)CC)CC(N)=O ZINC000429171841 201075430 /nfs/dbraw/zinc/07/54/30/201075430.db2.gz IQVHTVKXAFKGPS-UHFFFAOYSA-N 2 2 229.368 0.916 20 0 BCADLP CCC[N@@H+](CCC[NH+](CC)CC)CC(N)=O ZINC000429171841 201075432 /nfs/dbraw/zinc/07/54/32/201075432.db2.gz IQVHTVKXAFKGPS-UHFFFAOYSA-N 2 2 229.368 0.916 20 0 BCADLP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000170043376 361382763 /nfs/dbraw/zinc/38/27/63/361382763.db2.gz CENBUOCKWYZGDE-GHMZBOCLSA-N 2 2 248.330 0.314 20 0 BCADLP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000170043377 361383015 /nfs/dbraw/zinc/38/30/15/361383015.db2.gz CENBUOCKWYZGDE-MNOVXSKESA-N 2 2 248.330 0.314 20 0 BCADLP C[NH2+]CCC[N@H+](C)Cc1cncc(OC)n1 ZINC000629539358 361404956 /nfs/dbraw/zinc/40/49/56/361404956.db2.gz OHDHXMIJKHVXSV-UHFFFAOYSA-N 2 2 224.308 0.527 20 0 BCADLP C[NH2+]CCC[N@@H+](C)Cc1cncc(OC)n1 ZINC000629539358 361404962 /nfs/dbraw/zinc/40/49/62/361404962.db2.gz OHDHXMIJKHVXSV-UHFFFAOYSA-N 2 2 224.308 0.527 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCc2nn[nH]c2C1 ZINC000429293610 201096267 /nfs/dbraw/zinc/09/62/67/201096267.db2.gz KLSQORVGMYAOQG-SNVBAGLBSA-N 2 2 235.335 0.647 20 0 BCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCc2nn[nH]c2C1 ZINC000429293610 201096270 /nfs/dbraw/zinc/09/62/70/201096270.db2.gz KLSQORVGMYAOQG-SNVBAGLBSA-N 2 2 235.335 0.647 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCc2nn[nH]c2C1 ZINC000429293610 201096272 /nfs/dbraw/zinc/09/62/72/201096272.db2.gz KLSQORVGMYAOQG-SNVBAGLBSA-N 2 2 235.335 0.647 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCc2nn[nH]c2C1 ZINC000429293610 201096275 /nfs/dbraw/zinc/09/62/75/201096275.db2.gz KLSQORVGMYAOQG-SNVBAGLBSA-N 2 2 235.335 0.647 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000629543727 361413256 /nfs/dbraw/zinc/41/32/56/361413256.db2.gz ALXBUPFKWQZPSW-QCNOEVLYSA-N 3 2 211.353 0.844 20 0 BCADLP C[NH2+]CCC[N@H+](C)CC(=O)NCC(C)(C)C ZINC000629535065 361408534 /nfs/dbraw/zinc/40/85/34/361408534.db2.gz CJBUUZXLLDCIFF-UHFFFAOYSA-N 2 2 229.368 0.690 20 0 BCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NCC(C)(C)C ZINC000629535065 361408537 /nfs/dbraw/zinc/40/85/37/361408537.db2.gz CJBUUZXLLDCIFF-UHFFFAOYSA-N 2 2 229.368 0.690 20 0 BCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629544783 361424495 /nfs/dbraw/zinc/42/44/95/361424495.db2.gz CNFHYDJEVBXQAP-GRYCIOLGSA-N 2 2 241.379 0.973 20 0 BCADLP CC[N@H+](CC[NH3+])Cc1cccc(C(=O)NC)c1 ZINC000629556523 361450560 /nfs/dbraw/zinc/45/05/60/361450560.db2.gz KXGWKDOCEXWILP-UHFFFAOYSA-N 2 2 235.331 0.827 20 0 BCADLP CC[N@@H+](CC[NH3+])Cc1cccc(C(=O)NC)c1 ZINC000629556523 361450562 /nfs/dbraw/zinc/45/05/62/361450562.db2.gz KXGWKDOCEXWILP-UHFFFAOYSA-N 2 2 235.331 0.827 20 0 BCADLP OC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@H]1CCCOC1 ZINC000579473407 366820930 /nfs/dbraw/zinc/82/09/30/366820930.db2.gz UFERQVDSRWSFEJ-TUAOUCFPSA-N 2 2 228.336 0.116 20 0 BCADLP OC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000579473408 366821070 /nfs/dbraw/zinc/82/10/70/366821070.db2.gz UFERQVDSRWSFEJ-UTUOFQBUSA-N 2 2 228.336 0.116 20 0 BCADLP C[C@@H](Cn1cccn1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629546692 361428687 /nfs/dbraw/zinc/42/86/87/361428687.db2.gz WWGFPTOOHJEWOR-GARJFASQSA-N 2 2 208.309 0.612 20 0 BCADLP [NH3+][C@H]1CCCCC[C@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000629555708 361449087 /nfs/dbraw/zinc/44/90/87/361449087.db2.gz BECVGFBLDWRCDW-RWMBFGLXSA-N 2 2 241.379 0.303 20 0 BCADLP [NH3+][C@H]1CCCCC[C@H]1NCC[N@H+]1CC[C@H](O)C1 ZINC000629555708 361449089 /nfs/dbraw/zinc/44/90/89/361449089.db2.gz BECVGFBLDWRCDW-RWMBFGLXSA-N 2 2 241.379 0.303 20 0 BCADLP CC[C@@H](Cn1cncn1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000629553278 361437093 /nfs/dbraw/zinc/43/70/93/361437093.db2.gz URDQSPYTFXCSME-VHSXEESVSA-N 2 2 209.297 0.008 20 0 BCADLP Nc1ncccc1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000629552963 361437779 /nfs/dbraw/zinc/43/77/79/361437779.db2.gz TWVHMBGIZBXTPB-DGCLKSJQSA-N 2 2 232.331 0.977 20 0 BCADLP Nc1ncccc1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000629552963 361437784 /nfs/dbraw/zinc/43/77/84/361437784.db2.gz TWVHMBGIZBXTPB-DGCLKSJQSA-N 2 2 232.331 0.977 20 0 BCADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cnn(C)c1 ZINC000629553455 361438464 /nfs/dbraw/zinc/43/84/64/361438464.db2.gz QEDPOUTUIPYFED-MNOVXSKESA-N 2 2 208.309 0.823 20 0 BCADLP COc1cncc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)n1 ZINC000629549586 361441271 /nfs/dbraw/zinc/44/12/71/361441271.db2.gz SKPZHCYGQMKAFY-ZJUUUORDSA-N 2 2 236.319 0.797 20 0 BCADLP COc1cncc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)n1 ZINC000629549586 361441272 /nfs/dbraw/zinc/44/12/72/361441272.db2.gz SKPZHCYGQMKAFY-ZJUUUORDSA-N 2 2 236.319 0.797 20 0 BCADLP CCn1nnc(C)c1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000629541738 361416791 /nfs/dbraw/zinc/41/67/91/361416791.db2.gz VBAYUFKMRNECAQ-UHFFFAOYSA-N 2 2 249.362 0.934 20 0 BCADLP CCc1cnc(C[N@H+](C)CCOCC[NH2+]C)o1 ZINC000629570413 361460887 /nfs/dbraw/zinc/46/08/87/361460887.db2.gz JOVVDSFRFCMDKS-UHFFFAOYSA-N 2 2 241.335 0.905 20 0 BCADLP CCc1cnc(C[N@@H+](C)CCOCC[NH2+]C)o1 ZINC000629570413 361460888 /nfs/dbraw/zinc/46/08/88/361460888.db2.gz JOVVDSFRFCMDKS-UHFFFAOYSA-N 2 2 241.335 0.905 20 0 BCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000629584210 361469804 /nfs/dbraw/zinc/46/98/04/361469804.db2.gz RKMVFRPBCZBNCV-MELADBBJSA-N 3 2 237.391 0.917 20 0 BCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000629584210 361469807 /nfs/dbraw/zinc/46/98/07/361469807.db2.gz RKMVFRPBCZBNCV-MELADBBJSA-N 3 2 237.391 0.917 20 0 BCADLP Oc1cccc2c1CC[N@H+](C[C@@H]1C[NH2+]CCO1)C2 ZINC000629582246 361472213 /nfs/dbraw/zinc/47/22/13/361472213.db2.gz PZSHDCBYNZTPQI-LBPRGKRZSA-N 2 2 248.326 0.739 20 0 BCADLP Oc1cccc2c1CC[N@@H+](C[C@@H]1C[NH2+]CCO1)C2 ZINC000629582246 361472216 /nfs/dbraw/zinc/47/22/16/361472216.db2.gz PZSHDCBYNZTPQI-LBPRGKRZSA-N 2 2 248.326 0.739 20 0 BCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000629584724 361473342 /nfs/dbraw/zinc/47/33/42/361473342.db2.gz WWBYISOMYBSVHS-UPJWGTAASA-N 3 2 223.364 0.527 20 0 BCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000629584724 361473349 /nfs/dbraw/zinc/47/33/49/361473349.db2.gz WWBYISOMYBSVHS-UPJWGTAASA-N 3 2 223.364 0.527 20 0 BCADLP COC[C@]1(C)C[N@H+](CCC[NH3+])CCO1 ZINC000629594958 361481604 /nfs/dbraw/zinc/48/16/04/361481604.db2.gz GUAQXDWYTNIJOV-JTQLQIEISA-N 2 2 202.298 0.073 20 0 BCADLP COC[C@]1(C)C[N@@H+](CCC[NH3+])CCO1 ZINC000629594958 361481608 /nfs/dbraw/zinc/48/16/08/361481608.db2.gz GUAQXDWYTNIJOV-JTQLQIEISA-N 2 2 202.298 0.073 20 0 BCADLP COC[C@@]1(C)C[N@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000629595180 361481684 /nfs/dbraw/zinc/48/16/84/361481684.db2.gz KRYJKIYMYXGQRT-QWHCGFSZSA-N 2 2 242.363 0.723 20 0 BCADLP COC[C@@]1(C)C[N@@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000629595180 361481687 /nfs/dbraw/zinc/48/16/87/361481687.db2.gz KRYJKIYMYXGQRT-QWHCGFSZSA-N 2 2 242.363 0.723 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCO[C@](C)(COC)C1 ZINC000629595743 361483053 /nfs/dbraw/zinc/48/30/53/361483053.db2.gz WIQFPYFCWGXFMW-NSHDSACASA-N 2 2 216.325 0.333 20 0 BCADLP C[NH2+]CCC[N@H+]1CCO[C@](C)(COC)C1 ZINC000629595743 361483058 /nfs/dbraw/zinc/48/30/58/361483058.db2.gz WIQFPYFCWGXFMW-NSHDSACASA-N 2 2 216.325 0.333 20 0 BCADLP COC[C@]1(C)C[N@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000629594443 361486481 /nfs/dbraw/zinc/48/64/81/361486481.db2.gz CSRXJNWAZSFXHF-NEPJUHHUSA-N 2 2 228.336 0.333 20 0 BCADLP COC[C@]1(C)C[N@@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000629594443 361486486 /nfs/dbraw/zinc/48/64/86/361486486.db2.gz CSRXJNWAZSFXHF-NEPJUHHUSA-N 2 2 228.336 0.333 20 0 BCADLP c1cc2c(cc1C[NH2+][C@@H]1CC[NH2+]C1)C[NH2+]CC2 ZINC000629594522 361486884 /nfs/dbraw/zinc/48/68/84/361486884.db2.gz VHFQGPUGCZOKDY-CQSZACIVSA-N 3 2 231.343 0.784 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000309931018 491158470 /nfs/dbraw/zinc/15/84/70/491158470.db2.gz YAERTVDZRFEJBA-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000309931018 491158471 /nfs/dbraw/zinc/15/84/71/491158471.db2.gz YAERTVDZRFEJBA-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP CC[N@H+](CC[NH3+])CCCc1nc(C)no1 ZINC000629558236 361452766 /nfs/dbraw/zinc/45/27/66/361452766.db2.gz UXWQWYQXUDJXSU-UHFFFAOYSA-N 2 2 212.297 0.591 20 0 BCADLP CC[N@@H+](CC[NH3+])CCCc1nc(C)no1 ZINC000629558236 361452770 /nfs/dbraw/zinc/45/27/70/361452770.db2.gz UXWQWYQXUDJXSU-UHFFFAOYSA-N 2 2 212.297 0.591 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1NCc1c[nH+]cn1C ZINC000629563550 361455098 /nfs/dbraw/zinc/45/50/98/361455098.db2.gz GGCXDHXPYSSNLS-WDEREUQCSA-N 2 2 208.309 0.650 20 0 BCADLP [NH3+]CCC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563004 361457194 /nfs/dbraw/zinc/45/71/94/361457194.db2.gz ORPYLSWOUMKNKN-IUCAKERBSA-N 3 2 239.285 0.794 20 0 BCADLP [NH3+]CCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563004 361457195 /nfs/dbraw/zinc/45/71/95/361457195.db2.gz ORPYLSWOUMKNKN-IUCAKERBSA-N 3 2 239.285 0.794 20 0 BCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C1([NH+](C)C)CC1 ZINC000613227570 361541055 /nfs/dbraw/zinc/54/10/55/361541055.db2.gz TUYANXMKNCZRSO-QWRGUYRKSA-N 2 2 239.363 0.632 20 0 BCADLP Cc1cnccc1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000629648875 361541921 /nfs/dbraw/zinc/54/19/21/361541921.db2.gz ZYTRNVKGYXIOIV-GFCCVEGCSA-N 2 2 221.304 0.468 20 0 BCADLP Cc1cnccc1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000629648876 361542124 /nfs/dbraw/zinc/54/21/24/361542124.db2.gz ZYTRNVKGYXIOIV-LBPRGKRZSA-N 2 2 221.304 0.468 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1=CCCOC1 ZINC000629649012 361543447 /nfs/dbraw/zinc/54/34/47/361543447.db2.gz DSFVDLXUCDVEAD-JQWIXIFHSA-N 2 2 210.321 0.921 20 0 BCADLP COC1(C[N@@H+]2CCOC3(C[NH2+]C3)C2)CCCC1 ZINC000629650586 361547851 /nfs/dbraw/zinc/54/78/51/361547851.db2.gz WXKWIICJHDMMMY-UHFFFAOYSA-N 2 2 240.347 0.620 20 0 BCADLP COC1(C[N@H+]2CCOC3(C[NH2+]C3)C2)CCCC1 ZINC000629650586 361547852 /nfs/dbraw/zinc/54/78/52/361547852.db2.gz WXKWIICJHDMMMY-UHFFFAOYSA-N 2 2 240.347 0.620 20 0 BCADLP Cn1ncc(Cl)c1C[N@H+](C)CCOCC[NH3+] ZINC000629664902 361596318 /nfs/dbraw/zinc/59/63/18/361596318.db2.gz LOADPPJAXKNYKD-UHFFFAOYSA-N 2 2 246.742 0.481 20 0 BCADLP Cn1ncc(Cl)c1C[N@@H+](C)CCOCC[NH3+] ZINC000629664902 361596324 /nfs/dbraw/zinc/59/63/24/361596324.db2.gz LOADPPJAXKNYKD-UHFFFAOYSA-N 2 2 246.742 0.481 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000435879932 201291969 /nfs/dbraw/zinc/29/19/69/201291969.db2.gz MKKCLZZYBNODAZ-UHFFFAOYSA-N 2 2 241.379 0.786 20 0 BCADLP C[NH2+]CCC[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000435879932 201291973 /nfs/dbraw/zinc/29/19/73/201291973.db2.gz MKKCLZZYBNODAZ-UHFFFAOYSA-N 2 2 241.379 0.786 20 0 BCADLP CC[C@@](C)(O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000435905407 201299297 /nfs/dbraw/zinc/29/92/97/201299297.db2.gz FGWOIDSHYYXDDM-CYBMUJFWSA-N 2 2 244.379 0.536 20 0 BCADLP CC[C@@](C)(O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000435905407 201299300 /nfs/dbraw/zinc/29/93/00/201299300.db2.gz FGWOIDSHYYXDDM-CYBMUJFWSA-N 2 2 244.379 0.536 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000435885472 201295225 /nfs/dbraw/zinc/29/52/25/201295225.db2.gz KMESSAWDCLSSFJ-NSHDSACASA-N 2 2 225.336 0.339 20 0 BCADLP C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000435885472 201295228 /nfs/dbraw/zinc/29/52/28/201295228.db2.gz KMESSAWDCLSSFJ-NSHDSACASA-N 2 2 225.336 0.339 20 0 BCADLP O=C(NCCc1[nH]cc[nH+]1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436288042 201318443 /nfs/dbraw/zinc/31/84/43/201318443.db2.gz UPSMEUVORHUGGZ-ZWNOBZJWSA-N 2 2 248.330 0.458 20 0 BCADLP [NH3+]C1CC[NH+](Cc2cn3cccnc3n2)CC1 ZINC000036754432 181345356 /nfs/dbraw/zinc/34/53/56/181345356.db2.gz JMSMIZTYYOEHFT-UHFFFAOYSA-N 2 2 231.303 0.652 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000627244501 363847168 /nfs/dbraw/zinc/84/71/68/363847168.db2.gz BCAVIGPUKJNHQH-WCBMZHEXSA-N 2 2 237.307 0.302 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000627244501 363847175 /nfs/dbraw/zinc/84/71/75/363847175.db2.gz BCAVIGPUKJNHQH-WCBMZHEXSA-N 2 2 237.307 0.302 20 0 BCADLP CC[N@@H+]1CCN(C(=O)C2([NH+](C)C)CC2)[C@@H](C)C1 ZINC000614713077 363935166 /nfs/dbraw/zinc/93/51/66/363935166.db2.gz XAWMALXPTSGPQV-NSHDSACASA-N 2 2 239.363 0.633 20 0 BCADLP CC[N@H+]1CCN(C(=O)C2([NH+](C)C)CC2)[C@@H](C)C1 ZINC000614713077 363935171 /nfs/dbraw/zinc/93/51/71/363935171.db2.gz XAWMALXPTSGPQV-NSHDSACASA-N 2 2 239.363 0.633 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)C[NH+](C)C ZINC000622081822 370698467 /nfs/dbraw/zinc/69/84/67/370698467.db2.gz DBJROJVKKFINEZ-VIFPVBQESA-N 2 2 224.308 0.642 20 0 BCADLP c1cn(-c2cc(N3C[C@@H]4C[C@H]3C[NH2+]4)ncn2)c[nH+]1 ZINC000630553551 364248826 /nfs/dbraw/zinc/24/88/26/364248826.db2.gz JMPSSJGQZKNDCF-UWVGGRQHSA-N 2 2 242.286 0.213 20 0 BCADLP Cc1nc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc[nH+]1 ZINC000630555524 364250775 /nfs/dbraw/zinc/25/07/75/364250775.db2.gz CAOFVJHANBPCAW-AOOOYVTPSA-N 2 2 204.277 0.726 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@@H](CO)C1 ZINC000631670967 364261297 /nfs/dbraw/zinc/26/12/97/364261297.db2.gz ZCQGFXAPSZRICG-KQXIARHKSA-N 2 2 224.348 0.830 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@@H](CO)C1 ZINC000631670967 364261301 /nfs/dbraw/zinc/26/13/01/364261301.db2.gz ZCQGFXAPSZRICG-KQXIARHKSA-N 2 2 224.348 0.830 20 0 BCADLP c1cn(Cc2cn(C[C@H]3CCC[NH2+]3)nn2)c[nH+]1 ZINC000630604658 364328839 /nfs/dbraw/zinc/32/88/39/364328839.db2.gz CSKIRSAQSOLKPD-SNVBAGLBSA-N 2 2 232.291 0.275 20 0 BCADLP [NH3+]CCC(=O)NCCCNc1cccc[nH+]1 ZINC000262649068 181368233 /nfs/dbraw/zinc/36/82/33/181368233.db2.gz KUMSGYWSQYODMQ-UHFFFAOYSA-N 2 2 222.292 0.349 20 0 BCADLP C[C@H]1CC[N@H+](Cc2ccn(C)n2)C[C@@H]1C[NH3+] ZINC000167653337 364802348 /nfs/dbraw/zinc/80/23/48/364802348.db2.gz CXIULNXZDVJENK-QWRGUYRKSA-N 2 2 222.336 0.837 20 0 BCADLP C[C@H]1CC[N@@H+](Cc2ccn(C)n2)C[C@@H]1C[NH3+] ZINC000167653337 364802351 /nfs/dbraw/zinc/80/23/51/364802351.db2.gz CXIULNXZDVJENK-QWRGUYRKSA-N 2 2 222.336 0.837 20 0 BCADLP C[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)C[C@H](C)[N@H+]1C ZINC000615369672 364752429 /nfs/dbraw/zinc/75/24/29/364752429.db2.gz KZSXMXASDZCRCC-PHIMTYICSA-N 2 2 239.363 0.632 20 0 BCADLP C[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)C[C@H](C)[N@@H+]1C ZINC000615369672 364752437 /nfs/dbraw/zinc/75/24/37/364752437.db2.gz KZSXMXASDZCRCC-PHIMTYICSA-N 2 2 239.363 0.632 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399077770 364780205 /nfs/dbraw/zinc/78/02/05/364780205.db2.gz QPWFHEVLPWCJFG-GMTAPVOTSA-N 2 2 227.352 0.583 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCCN1CCOCC1 ZINC000573448882 364836379 /nfs/dbraw/zinc/83/63/79/364836379.db2.gz LFQJFOHTOGPERQ-RYUDHWBXSA-N 2 2 227.352 0.130 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCCN1CCOCC1 ZINC000573448882 364836380 /nfs/dbraw/zinc/83/63/80/364836380.db2.gz LFQJFOHTOGPERQ-RYUDHWBXSA-N 2 2 227.352 0.130 20 0 BCADLP COc1ncccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000095009484 541387773 /nfs/dbraw/zinc/38/77/73/541387773.db2.gz ORXUHTWBYAAKSW-TXEJJXNPSA-N 2 2 233.315 0.741 20 0 BCADLP COc1ncccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000095009484 541387777 /nfs/dbraw/zinc/38/77/77/541387777.db2.gz ORXUHTWBYAAKSW-TXEJJXNPSA-N 2 2 233.315 0.741 20 0 BCADLP [NH3+]CC[N@H+](CCO)Cc1ccc2c(c1)CCC2 ZINC000342436875 181390159 /nfs/dbraw/zinc/39/01/59/181390159.db2.gz PXYYYKVXOBWUOI-UHFFFAOYSA-N 2 2 234.343 0.928 20 0 BCADLP [NH3+]CC[N@@H+](CCO)Cc1ccc2c(c1)CCC2 ZINC000342436875 181390160 /nfs/dbraw/zinc/39/01/60/181390160.db2.gz PXYYYKVXOBWUOI-UHFFFAOYSA-N 2 2 234.343 0.928 20 0 BCADLP [NH3+]CC[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000308921782 181392280 /nfs/dbraw/zinc/39/22/80/181392280.db2.gz CIHBMXSSMXLGAY-JTQLQIEISA-N 2 2 211.309 0.032 20 0 BCADLP [NH3+]CC[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000308921782 181392281 /nfs/dbraw/zinc/39/22/81/181392281.db2.gz CIHBMXSSMXLGAY-JTQLQIEISA-N 2 2 211.309 0.032 20 0 BCADLP Cn1cncc1C[NH2+]CCC[NH+]1CCC1 ZINC000574583234 365097083 /nfs/dbraw/zinc/09/70/83/365097083.db2.gz GLXTYASJEDPVIB-UHFFFAOYSA-N 2 2 208.309 0.606 20 0 BCADLP Cc1cc(NC(=O)NC[C@H]([NH3+])C2CC2)c(C)c[nH+]1 ZINC000574739434 365133009 /nfs/dbraw/zinc/13/30/09/365133009.db2.gz AUKJVWVJCQPBHX-NSHDSACASA-N 2 2 248.330 0.979 20 0 BCADLP CO[C@H]1C[C@@H]([N@H+](C)C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000574879994 365167058 /nfs/dbraw/zinc/16/70/58/365167058.db2.gz BQWBZEULJTWLDX-UPJWGTAASA-N 2 2 242.363 0.551 20 0 BCADLP CO[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000574879994 365167065 /nfs/dbraw/zinc/16/70/65/365167065.db2.gz BQWBZEULJTWLDX-UPJWGTAASA-N 2 2 242.363 0.551 20 0 BCADLP CO[C@H]1C[C@@H]([NH+](C)C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000574879994 365167070 /nfs/dbraw/zinc/16/70/70/365167070.db2.gz BQWBZEULJTWLDX-UPJWGTAASA-N 2 2 242.363 0.551 20 0 BCADLP CO[C@H]1C[C@@H]([NH+](C)C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000574879994 365167075 /nfs/dbraw/zinc/16/70/75/365167075.db2.gz BQWBZEULJTWLDX-UPJWGTAASA-N 2 2 242.363 0.551 20 0 BCADLP O=C([C@H]1CC[NH2+]1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000444175810 193040667 /nfs/dbraw/zinc/04/06/67/193040667.db2.gz MDTXSEUZYBFREK-NXEZZACHSA-N 2 2 234.303 0.478 20 0 BCADLP C[C@H]1C(=O)NCC[N@H+]1CCCc1c[nH+]cn1C ZINC000575759672 365356639 /nfs/dbraw/zinc/35/66/39/365356639.db2.gz UWTIHJSKENDVEC-JTQLQIEISA-N 2 2 236.319 0.173 20 0 BCADLP C[C@H]1C(=O)NCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000575759672 365356643 /nfs/dbraw/zinc/35/66/43/365356643.db2.gz UWTIHJSKENDVEC-JTQLQIEISA-N 2 2 236.319 0.173 20 0 BCADLP CNC(=O)CC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000575878885 365404160 /nfs/dbraw/zinc/40/41/60/365404160.db2.gz BVLDMDLPSRKLPF-WDEREUQCSA-N 2 2 225.336 0.291 20 0 BCADLP CNC(=O)CC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000575878885 365404165 /nfs/dbraw/zinc/40/41/65/365404165.db2.gz BVLDMDLPSRKLPF-WDEREUQCSA-N 2 2 225.336 0.291 20 0 BCADLP CNC(=O)CC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000575878885 365404171 /nfs/dbraw/zinc/40/41/71/365404171.db2.gz BVLDMDLPSRKLPF-WDEREUQCSA-N 2 2 225.336 0.291 20 0 BCADLP CNC(=O)CC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000575878885 365404174 /nfs/dbraw/zinc/40/41/74/365404174.db2.gz BVLDMDLPSRKLPF-WDEREUQCSA-N 2 2 225.336 0.291 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC000173881504 365453771 /nfs/dbraw/zinc/45/37/71/365453771.db2.gz CTMMVURLSMHCFE-UWVGGRQHSA-N 2 2 213.325 0.134 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC000173881504 365453775 /nfs/dbraw/zinc/45/37/75/365453775.db2.gz CTMMVURLSMHCFE-UWVGGRQHSA-N 2 2 213.325 0.134 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC000173881504 365453781 /nfs/dbraw/zinc/45/37/81/365453781.db2.gz CTMMVURLSMHCFE-UWVGGRQHSA-N 2 2 213.325 0.134 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC000173881504 365453784 /nfs/dbraw/zinc/45/37/84/365453784.db2.gz CTMMVURLSMHCFE-UWVGGRQHSA-N 2 2 213.325 0.134 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1cccc(O)c1 ZINC000579602747 366901092 /nfs/dbraw/zinc/90/10/92/366901092.db2.gz RAGHKUHAXJOWJO-ZDUSSCGKSA-N 2 2 238.331 0.794 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000579602747 366901095 /nfs/dbraw/zinc/90/10/95/366901095.db2.gz RAGHKUHAXJOWJO-ZDUSSCGKSA-N 2 2 238.331 0.794 20 0 BCADLP C[C@H]1COCCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000383826050 541514580 /nfs/dbraw/zinc/51/45/80/541514580.db2.gz RQMHLHAQJOPDKS-WCQYABFASA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H]1COCCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000383826050 541514581 /nfs/dbraw/zinc/51/45/81/541514581.db2.gz RQMHLHAQJOPDKS-WCQYABFASA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H]1COCCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000383826050 541514583 /nfs/dbraw/zinc/51/45/83/541514583.db2.gz RQMHLHAQJOPDKS-WCQYABFASA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H]1COCCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000383826050 541514584 /nfs/dbraw/zinc/51/45/84/541514584.db2.gz RQMHLHAQJOPDKS-WCQYABFASA-N 2 2 242.363 0.552 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CF ZINC000579727582 366993877 /nfs/dbraw/zinc/99/38/77/366993877.db2.gz QFABKNMRGIUVIJ-NEPJUHHUSA-N 2 2 248.342 0.359 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CF ZINC000579727582 366993879 /nfs/dbraw/zinc/99/38/79/366993879.db2.gz QFABKNMRGIUVIJ-NEPJUHHUSA-N 2 2 248.342 0.359 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CF ZINC000579727582 366993883 /nfs/dbraw/zinc/99/38/83/366993883.db2.gz QFABKNMRGIUVIJ-NEPJUHHUSA-N 2 2 248.342 0.359 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1CF ZINC000579727582 366993887 /nfs/dbraw/zinc/99/38/87/366993887.db2.gz QFABKNMRGIUVIJ-NEPJUHHUSA-N 2 2 248.342 0.359 20 0 BCADLP C[C@@H]1COCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000383826051 541514896 /nfs/dbraw/zinc/51/48/96/541514896.db2.gz RQMHLHAQJOPDKS-YPMHNXCESA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1COCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000383826051 541514900 /nfs/dbraw/zinc/51/49/00/541514900.db2.gz RQMHLHAQJOPDKS-YPMHNXCESA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1COCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000383826051 541514906 /nfs/dbraw/zinc/51/49/06/541514906.db2.gz RQMHLHAQJOPDKS-YPMHNXCESA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1COCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000383826051 541514911 /nfs/dbraw/zinc/51/49/11/541514911.db2.gz RQMHLHAQJOPDKS-YPMHNXCESA-N 2 2 242.363 0.552 20 0 BCADLP Cc1cc(NC(=O)N2CC[NH2+][C@H](C)C2)c(C)c[nH+]1 ZINC000580940432 367211004 /nfs/dbraw/zinc/21/10/04/367211004.db2.gz RFFGJEHWTWWKEP-LLVKDONJSA-N 2 2 248.330 0.946 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)CCOC[C@H]1CCCO1 ZINC000381423039 367400531 /nfs/dbraw/zinc/40/05/31/367400531.db2.gz XWZYRIYYYZUPBZ-WDEREUQCSA-N 2 2 216.325 0.461 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)CCOC[C@H]1CCCO1 ZINC000381423039 367400534 /nfs/dbraw/zinc/40/05/34/367400534.db2.gz XWZYRIYYYZUPBZ-WDEREUQCSA-N 2 2 216.325 0.461 20 0 BCADLP CC[NH+]1CCC([NH2+]C[C@H](C)S(C)(=O)=O)CC1 ZINC000381472782 367415075 /nfs/dbraw/zinc/41/50/75/367415075.db2.gz PFOCSJNZHBXYTQ-JTQLQIEISA-N 2 2 248.392 0.493 20 0 BCADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)S(C)(=O)=O ZINC000381517185 367423451 /nfs/dbraw/zinc/42/34/51/367423451.db2.gz SPTMOPVFQMDLAW-GMTAPVOTSA-N 2 2 248.392 0.349 20 0 BCADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)S(C)(=O)=O ZINC000381517185 367423457 /nfs/dbraw/zinc/42/34/57/367423457.db2.gz SPTMOPVFQMDLAW-GMTAPVOTSA-N 2 2 248.392 0.349 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C(C)(C)C ZINC000382101932 367485308 /nfs/dbraw/zinc/48/53/08/367485308.db2.gz IVWVSJIJDHOJBV-NSHDSACASA-N 2 2 232.368 0.656 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C(C)(C)C ZINC000382101932 367485312 /nfs/dbraw/zinc/48/53/12/367485312.db2.gz IVWVSJIJDHOJBV-NSHDSACASA-N 2 2 232.368 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C(C)(C)C ZINC000382101932 367485313 /nfs/dbraw/zinc/48/53/13/367485313.db2.gz IVWVSJIJDHOJBV-NSHDSACASA-N 2 2 232.368 0.656 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C(C)(C)C ZINC000382101932 367485318 /nfs/dbraw/zinc/48/53/18/367485318.db2.gz IVWVSJIJDHOJBV-NSHDSACASA-N 2 2 232.368 0.656 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](SC)C1 ZINC000382924042 367567278 /nfs/dbraw/zinc/56/72/78/367567278.db2.gz IXJSTKQKIYBFAQ-WDEREUQCSA-N 2 2 232.393 0.736 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](SC)C1 ZINC000382924042 367567283 /nfs/dbraw/zinc/56/72/83/367567283.db2.gz IXJSTKQKIYBFAQ-WDEREUQCSA-N 2 2 232.393 0.736 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](SC)C1 ZINC000382924042 367567289 /nfs/dbraw/zinc/56/72/89/367567289.db2.gz IXJSTKQKIYBFAQ-WDEREUQCSA-N 2 2 232.393 0.736 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](SC)C1 ZINC000382924042 367567291 /nfs/dbraw/zinc/56/72/91/367567291.db2.gz IXJSTKQKIYBFAQ-WDEREUQCSA-N 2 2 232.393 0.736 20 0 BCADLP CS[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000382926052 367568585 /nfs/dbraw/zinc/56/85/85/367568585.db2.gz JKRJTKCZKYMLFI-VXGBXAGGSA-N 2 2 244.404 0.879 20 0 BCADLP CS[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000382926052 367568589 /nfs/dbraw/zinc/56/85/89/367568589.db2.gz JKRJTKCZKYMLFI-VXGBXAGGSA-N 2 2 244.404 0.879 20 0 BCADLP CS[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000382926052 367568594 /nfs/dbraw/zinc/56/85/94/367568594.db2.gz JKRJTKCZKYMLFI-VXGBXAGGSA-N 2 2 244.404 0.879 20 0 BCADLP CS[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000382926052 367568597 /nfs/dbraw/zinc/56/85/97/367568597.db2.gz JKRJTKCZKYMLFI-VXGBXAGGSA-N 2 2 244.404 0.879 20 0 BCADLP C[C@@H]([NH2+]C1CC1)C(=O)NCc1[nH]cc[nH+]1 ZINC000382932472 367568882 /nfs/dbraw/zinc/56/88/82/367568882.db2.gz GFJKPSRGTNNXQK-SSDOTTSWSA-N 2 2 208.265 0.166 20 0 BCADLP CC[NH+](C[C@H](O)C[N@@H+](C)CC)C[C@H](C)OC ZINC000383102703 367595945 /nfs/dbraw/zinc/59/59/45/367595945.db2.gz CCUZGWJIPXXCRZ-NWDGAFQWSA-N 2 2 232.368 0.656 20 0 BCADLP CC[NH+](C[C@H](O)C[N@H+](C)CC)C[C@H](C)OC ZINC000383102703 367595947 /nfs/dbraw/zinc/59/59/47/367595947.db2.gz CCUZGWJIPXXCRZ-NWDGAFQWSA-N 2 2 232.368 0.656 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](CC)C[C@H](C)OC ZINC000383102703 367595952 /nfs/dbraw/zinc/59/59/52/367595952.db2.gz CCUZGWJIPXXCRZ-NWDGAFQWSA-N 2 2 232.368 0.656 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)C[C@H](C)OC ZINC000383102703 367595954 /nfs/dbraw/zinc/59/59/54/367595954.db2.gz CCUZGWJIPXXCRZ-NWDGAFQWSA-N 2 2 232.368 0.656 20 0 BCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc(O)c1 ZINC000383486375 367627351 /nfs/dbraw/zinc/62/73/51/367627351.db2.gz QULHHKMDLYFLIO-MFKMUULPSA-N 2 2 238.331 0.965 20 0 BCADLP CC[NH+](C[C@H](O)C[N@@H+](C)CC)C[C@@H]1CCCO1 ZINC000383496669 367628922 /nfs/dbraw/zinc/62/89/22/367628922.db2.gz DITSTDFQDPSKHM-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C[C@H](O)C[N@H+](C)CC)C[C@@H]1CCCO1 ZINC000383496669 367628925 /nfs/dbraw/zinc/62/89/25/367628925.db2.gz DITSTDFQDPSKHM-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](CC)C[C@@H]1CCCO1 ZINC000383496669 367628928 /nfs/dbraw/zinc/62/89/28/367628928.db2.gz DITSTDFQDPSKHM-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)C[C@@H]1CCCO1 ZINC000383496669 367628931 /nfs/dbraw/zinc/62/89/31/367628931.db2.gz DITSTDFQDPSKHM-OLZOCXBDSA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000383604203 367642516 /nfs/dbraw/zinc/64/25/16/367642516.db2.gz RBLHOMJXPZPHJG-OLZOCXBDSA-N 2 2 244.379 0.657 20 0 BCADLP CC[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000383604203 367642523 /nfs/dbraw/zinc/64/25/23/367642523.db2.gz RBLHOMJXPZPHJG-OLZOCXBDSA-N 2 2 244.379 0.657 20 0 BCADLP CC[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000383604203 367642526 /nfs/dbraw/zinc/64/25/26/367642526.db2.gz RBLHOMJXPZPHJG-OLZOCXBDSA-N 2 2 244.379 0.657 20 0 BCADLP CC[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000383604203 367642532 /nfs/dbraw/zinc/64/25/32/367642532.db2.gz RBLHOMJXPZPHJG-OLZOCXBDSA-N 2 2 244.379 0.657 20 0 BCADLP CC[C@H]1C[N@H+](C[C@@H](O)C[NH+](C)CC)CCCO1 ZINC000383830267 367655758 /nfs/dbraw/zinc/65/57/58/367655758.db2.gz XPUJVMUKVKXGOJ-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@H]1C[N@@H+](C[C@@H](O)C[NH+](C)CC)CCCO1 ZINC000383830267 367655761 /nfs/dbraw/zinc/65/57/61/367655761.db2.gz XPUJVMUKVKXGOJ-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@H]1C[NH+](C[C@@H](O)C[N@H+](C)CC)CCCO1 ZINC000383830267 367655763 /nfs/dbraw/zinc/65/57/63/367655763.db2.gz XPUJVMUKVKXGOJ-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP CC[C@H]1C[NH+](C[C@@H](O)C[N@@H+](C)CC)CCCO1 ZINC000383830267 367655765 /nfs/dbraw/zinc/65/57/65/367655765.db2.gz XPUJVMUKVKXGOJ-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000581675870 367704010 /nfs/dbraw/zinc/70/40/10/367704010.db2.gz GXHRLGHNYOXASY-VIFPVBQESA-N 2 2 236.319 0.676 20 0 BCADLP Cc1nn(C)cc1C[NH2+]CCC[NH+]1CCC1 ZINC000581677096 367706044 /nfs/dbraw/zinc/70/60/44/367706044.db2.gz QMQXWFMZFDBCKY-UHFFFAOYSA-N 2 2 222.336 0.914 20 0 BCADLP Cc1[nH]c(CNC[C@@](C)(O)C[NH+](C)C)[nH+]c1C ZINC000581677806 367707474 /nfs/dbraw/zinc/70/74/74/367707474.db2.gz OROJEAPCMLMHBK-GFCCVEGCSA-N 2 2 240.351 0.429 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)CC(C)(C)O ZINC000384759509 367727063 /nfs/dbraw/zinc/72/70/63/367727063.db2.gz AAQSAOUOTFXBIW-IJLUTSLNSA-N 2 2 244.379 0.893 20 0 BCADLP CN(CC[NH+]1CCOCC1)C1(C[NH3+])CCC1 ZINC000385154230 367802809 /nfs/dbraw/zinc/80/28/09/367802809.db2.gz JHRZGVPFOXDCTK-UHFFFAOYSA-N 2 2 227.352 0.132 20 0 BCADLP C[N@H+](CCN1CCOCC1)C1(C[NH3+])CCC1 ZINC000385154230 367802815 /nfs/dbraw/zinc/80/28/15/367802815.db2.gz JHRZGVPFOXDCTK-UHFFFAOYSA-N 2 2 227.352 0.132 20 0 BCADLP C[N@@H+](CCN1CCOCC1)C1(C[NH3+])CCC1 ZINC000385154230 367802819 /nfs/dbraw/zinc/80/28/19/367802819.db2.gz JHRZGVPFOXDCTK-UHFFFAOYSA-N 2 2 227.352 0.132 20 0 BCADLP C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399171902 367849390 /nfs/dbraw/zinc/84/93/90/367849390.db2.gz ISHHQEQQGFUMSQ-BBBLOLIVSA-N 2 2 234.365 0.150 20 0 BCADLP CC[C@@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613560 367918965 /nfs/dbraw/zinc/91/89/65/367918965.db2.gz JURYBWYOUHFJQX-ZJUUUORDSA-N 2 2 213.325 0.134 20 0 BCADLP CC[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613560 367918969 /nfs/dbraw/zinc/91/89/69/367918969.db2.gz JURYBWYOUHFJQX-ZJUUUORDSA-N 2 2 213.325 0.134 20 0 BCADLP COCC[NH2+]CC[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000385989844 367894734 /nfs/dbraw/zinc/89/47/34/367894734.db2.gz ARVIIIITAHLTGL-GMTAPVOTSA-N 2 2 200.326 0.857 20 0 BCADLP COCCOCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386564317 367993663 /nfs/dbraw/zinc/99/36/63/367993663.db2.gz JZFHVVZNNUTYHM-VXGBXAGGSA-N 2 2 230.352 0.770 20 0 BCADLP CCN(C)C(=O)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386622784 368002904 /nfs/dbraw/zinc/00/29/04/368002904.db2.gz YLDFWIBBGYFBJI-QWRGUYRKSA-N 2 2 227.352 0.585 20 0 BCADLP C[C@@H]1[C@H](CO)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000386271375 367943083 /nfs/dbraw/zinc/94/30/83/367943083.db2.gz MHAFUDAJFMTZGD-NEPJUHHUSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H]1[C@H](CO)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000386271375 367943090 /nfs/dbraw/zinc/94/30/90/367943090.db2.gz MHAFUDAJFMTZGD-NEPJUHHUSA-N 2 2 223.320 0.976 20 0 BCADLP CC[N@H+](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000566329070 326033555 /nfs/dbraw/zinc/03/35/55/326033555.db2.gz XHTBRKXYWJVKIU-LLVKDONJSA-N 2 2 238.335 0.902 20 0 BCADLP CC[N@@H+](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000566329070 326033557 /nfs/dbraw/zinc/03/35/57/326033557.db2.gz XHTBRKXYWJVKIU-LLVKDONJSA-N 2 2 238.335 0.902 20 0 BCADLP CC[C@@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000566416380 326042360 /nfs/dbraw/zinc/04/23/60/326042360.db2.gz OVONDGGVPHQFPP-SNVBAGLBSA-N 2 2 224.308 0.303 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@H]1CCCCC[NH2+]1 ZINC000081002598 368566205 /nfs/dbraw/zinc/56/62/05/368566205.db2.gz IYFWXMNYKKLOHT-SECBINFHSA-N 2 2 222.292 0.558 20 0 BCADLP c1cnn(CC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631888795 370908926 /nfs/dbraw/zinc/90/89/26/370908926.db2.gz BCAJPALYDJMXMW-CHWSQXEVSA-N 2 2 234.347 0.957 20 0 BCADLP c1cnn(CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631888795 370908931 /nfs/dbraw/zinc/90/89/31/370908931.db2.gz BCAJPALYDJMXMW-CHWSQXEVSA-N 2 2 234.347 0.957 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCCC1 ZINC000308638761 326134176 /nfs/dbraw/zinc/13/41/76/326134176.db2.gz CANUNPYGNPTAIL-LLVKDONJSA-N 2 2 200.326 0.785 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCCC1 ZINC000308638761 326134178 /nfs/dbraw/zinc/13/41/78/326134178.db2.gz CANUNPYGNPTAIL-LLVKDONJSA-N 2 2 200.326 0.785 20 0 BCADLP COc1ccccc1[C@H](CNC(N)=[NH2+])[NH+](C)C ZINC000073757003 368814850 /nfs/dbraw/zinc/81/48/50/368814850.db2.gz LIAJUTXHQJTYCV-JTQLQIEISA-N 2 2 236.319 0.781 20 0 BCADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nccs1 ZINC000087393552 368892450 /nfs/dbraw/zinc/89/24/50/368892450.db2.gz TZPKCOVAWLWULF-UHFFFAOYSA-N 2 2 240.376 0.480 20 0 BCADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nccs1 ZINC000087393552 368892455 /nfs/dbraw/zinc/89/24/55/368892455.db2.gz TZPKCOVAWLWULF-UHFFFAOYSA-N 2 2 240.376 0.480 20 0 BCADLP C[N@H+](C[C@@H]1CCc2ncnn21)[C@@H]1CC[NH2+]C1 ZINC000631822035 368974455 /nfs/dbraw/zinc/97/44/55/368974455.db2.gz QXZAUOXYKHYLNR-ZJUUUORDSA-N 2 2 221.308 0.059 20 0 BCADLP C[N@@H+](C[C@@H]1CCc2ncnn21)[C@@H]1CC[NH2+]C1 ZINC000631822035 368974457 /nfs/dbraw/zinc/97/44/57/368974457.db2.gz QXZAUOXYKHYLNR-ZJUUUORDSA-N 2 2 221.308 0.059 20 0 BCADLP CCCn1ncnc1C[NH+]1CCC(C[NH3+])CC1 ZINC000088586075 368917936 /nfs/dbraw/zinc/91/79/36/368917936.db2.gz VPAAHTNQAZZREO-UHFFFAOYSA-N 2 2 237.351 0.859 20 0 BCADLP [NH3+][C@H]1CCCCC[N@H+](CCN2CCCC2=O)C1 ZINC000631832461 369019027 /nfs/dbraw/zinc/01/90/27/369019027.db2.gz GIYIIKMPCAAPRB-LBPRGKRZSA-N 2 2 239.363 0.812 20 0 BCADLP [NH3+][C@H]1CCCCC[N@@H+](CCN2CCCC2=O)C1 ZINC000631832461 369019030 /nfs/dbraw/zinc/01/90/30/369019030.db2.gz GIYIIKMPCAAPRB-LBPRGKRZSA-N 2 2 239.363 0.812 20 0 BCADLP Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)nn1 ZINC000623655895 368991054 /nfs/dbraw/zinc/99/10/54/368991054.db2.gz IDDIZZAGZNFQDM-LLVKDONJSA-N 2 2 237.351 0.637 20 0 BCADLP Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)nn1 ZINC000623655895 368991056 /nfs/dbraw/zinc/99/10/56/368991056.db2.gz IDDIZZAGZNFQDM-LLVKDONJSA-N 2 2 237.351 0.637 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000631827289 368991300 /nfs/dbraw/zinc/99/13/00/368991300.db2.gz KMPKZSIWXXXNQY-AEJSXWLSSA-N 2 2 221.308 0.187 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@H]1CCc2ncnn21 ZINC000631827289 368991302 /nfs/dbraw/zinc/99/13/02/368991302.db2.gz KMPKZSIWXXXNQY-AEJSXWLSSA-N 2 2 221.308 0.187 20 0 BCADLP c1nc2n(n1)[C@H](C[N@@H+]1CC[C@H]3CC[NH2+][C@H]3C1)CC2 ZINC000631827042 368991902 /nfs/dbraw/zinc/99/19/02/368991902.db2.gz DCWLUWNLTNCQGD-WOPDTQHZSA-N 2 2 247.346 0.449 20 0 BCADLP c1nc2n(n1)[C@H](C[N@H+]1CC[C@H]3CC[NH2+][C@H]3C1)CC2 ZINC000631827042 368991909 /nfs/dbraw/zinc/99/19/09/368991909.db2.gz DCWLUWNLTNCQGD-WOPDTQHZSA-N 2 2 247.346 0.449 20 0 BCADLP c1nc2n(n1)[C@H](C[N@@H+]1CC[C@H]3CC[NH2+][C@@H]3C1)CC2 ZINC000631827039 368992099 /nfs/dbraw/zinc/99/20/99/368992099.db2.gz DCWLUWNLTNCQGD-GRYCIOLGSA-N 2 2 247.346 0.449 20 0 BCADLP c1nc2n(n1)[C@H](C[N@H+]1CC[C@H]3CC[NH2+][C@@H]3C1)CC2 ZINC000631827039 368992104 /nfs/dbraw/zinc/99/21/04/368992104.db2.gz DCWLUWNLTNCQGD-GRYCIOLGSA-N 2 2 247.346 0.449 20 0 BCADLP CC[C@@H](C(=O)NC1C[NH+](C(C)C)C1)[NH+](C)C ZINC000457732364 203095857 /nfs/dbraw/zinc/09/58/57/203095857.db2.gz ZHMBNFJHNQBOIF-NSHDSACASA-N 2 2 227.352 0.535 20 0 BCADLP COC(=O)CC1([NH2+]CCn2cc[nH+]c2)CCC1 ZINC000459382924 203270748 /nfs/dbraw/zinc/27/07/48/203270748.db2.gz APCLBGJUDIEBCT-UHFFFAOYSA-N 2 2 237.303 0.959 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCc2cn(C)cn2)C1 ZINC000459654392 203330461 /nfs/dbraw/zinc/33/04/61/203330461.db2.gz FLFGDMUYMUTBEL-DGCLKSJQSA-N 2 2 236.363 0.892 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCc2cn(C)cn2)C1 ZINC000459654392 203330465 /nfs/dbraw/zinc/33/04/65/203330465.db2.gz FLFGDMUYMUTBEL-DGCLKSJQSA-N 2 2 236.363 0.892 20 0 BCADLP CNC(=O)c1ccc(C[N@@H+]2C[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000631859285 369467932 /nfs/dbraw/zinc/46/79/32/369467932.db2.gz MCUDKJBWIWGOOO-GXFFZTMASA-N 2 2 247.342 0.968 20 0 BCADLP CNC(=O)c1ccc(C[N@H+]2C[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000631859285 369467934 /nfs/dbraw/zinc/46/79/34/369467934.db2.gz MCUDKJBWIWGOOO-GXFFZTMASA-N 2 2 247.342 0.968 20 0 BCADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCOC1CCOCC1 ZINC000631862292 369504786 /nfs/dbraw/zinc/50/47/86/369504786.db2.gz NUSZGHFCFLYLMM-QWRGUYRKSA-N 2 2 228.336 0.604 20 0 BCADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCOC1CCOCC1 ZINC000631862292 369504791 /nfs/dbraw/zinc/50/47/91/369504791.db2.gz NUSZGHFCFLYLMM-QWRGUYRKSA-N 2 2 228.336 0.604 20 0 BCADLP O=C(NCCCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631001049 369636935 /nfs/dbraw/zinc/63/69/35/369636935.db2.gz LPOXXUXCOBENAG-QWRGUYRKSA-N 2 2 249.318 0.029 20 0 BCADLP CCC[N@H+](C)CC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620601163 369950493 /nfs/dbraw/zinc/95/04/93/369950493.db2.gz UYRWYINHZMXQTD-JTQLQIEISA-N 2 2 238.335 0.939 20 0 BCADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620601163 369950494 /nfs/dbraw/zinc/95/04/94/369950494.db2.gz UYRWYINHZMXQTD-JTQLQIEISA-N 2 2 238.335 0.939 20 0 BCADLP C[C@H](NC(=O)[C@H](C)[NH+](C)C)c1[nH+]ccn1C ZINC000620603531 369951898 /nfs/dbraw/zinc/95/18/98/369951898.db2.gz KMIPQIBIQCPMKX-IUCAKERBSA-N 2 2 224.308 0.547 20 0 BCADLP CCOC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251747962 369936675 /nfs/dbraw/zinc/93/66/75/369936675.db2.gz LFCSWISWFZZZJY-NXEZZACHSA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251747962 369936678 /nfs/dbraw/zinc/93/66/78/369936678.db2.gz LFCSWISWFZZZJY-NXEZZACHSA-N 2 2 214.309 0.609 20 0 BCADLP C[C@@H](NC(=O)C[NH+](C)C)c1[nH+]ccn1C ZINC000620596477 369947964 /nfs/dbraw/zinc/94/79/64/369947964.db2.gz RJRXJBLECQOKCK-MRVPVSSYSA-N 2 2 210.281 0.159 20 0 BCADLP C[C@H]([NH3+])CCNC(=O)NCCCn1cc[nH+]c1 ZINC000621241826 370173438 /nfs/dbraw/zinc/17/34/38/370173438.db2.gz KFWDCARRDVBBGH-JTQLQIEISA-N 2 2 239.323 0.310 20 0 BCADLP CC1CC(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000621672798 370424582 /nfs/dbraw/zinc/42/45/82/370424582.db2.gz UEMSNCVFSIZOCH-VQXHTEKXSA-N 2 2 227.352 0.428 20 0 BCADLP CCn1nccc1CC[N@@H+]1CCC[NH2+]CC1 ZINC000621774101 370519087 /nfs/dbraw/zinc/51/90/87/370519087.db2.gz KOTYZRTXMWFGDX-UHFFFAOYSA-N 2 2 222.336 0.741 20 0 BCADLP CCn1nccc1CC[N@H+]1CCC[NH2+]CC1 ZINC000621774101 370519091 /nfs/dbraw/zinc/51/90/91/370519091.db2.gz KOTYZRTXMWFGDX-UHFFFAOYSA-N 2 2 222.336 0.741 20 0 BCADLP CCn1cc(CC[N@@H+]2CCC[NH2+]CC2)cn1 ZINC000621774578 370521237 /nfs/dbraw/zinc/52/12/37/370521237.db2.gz XXDBBJBAVUSIQA-UHFFFAOYSA-N 2 2 222.336 0.741 20 0 BCADLP CCn1cc(CC[N@H+]2CCC[NH2+]CC2)cn1 ZINC000621774578 370521241 /nfs/dbraw/zinc/52/12/41/370521241.db2.gz XXDBBJBAVUSIQA-UHFFFAOYSA-N 2 2 222.336 0.741 20 0 BCADLP Cn1c[nH+]cc1CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621782834 370531044 /nfs/dbraw/zinc/53/10/44/370531044.db2.gz SXWOLRDIAZHYSP-ZYHUDNBSSA-N 2 2 220.320 0.733 20 0 BCADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCN1CCOCC1)C2 ZINC000621782989 370531508 /nfs/dbraw/zinc/53/15/08/370531508.db2.gz VNLFTLNSESHFRU-QWHCGFSZSA-N 2 2 239.363 0.132 20 0 BCADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCN1CCOCC1)C2 ZINC000621782989 370531513 /nfs/dbraw/zinc/53/15/13/370531513.db2.gz VNLFTLNSESHFRU-QWHCGFSZSA-N 2 2 239.363 0.132 20 0 BCADLP [NH3+][C@@]12CCC[C@H]1CN(CC[NH+]1CCOCC1)C2 ZINC000621782989 370531519 /nfs/dbraw/zinc/53/15/19/370531519.db2.gz VNLFTLNSESHFRU-QWHCGFSZSA-N 2 2 239.363 0.132 20 0 BCADLP C[C@H](C[NH3+])NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000568509499 326360827 /nfs/dbraw/zinc/36/08/27/326360827.db2.gz RSOZIMQQQPUGBJ-MRVPVSSYSA-N 2 2 249.305 0.427 20 0 BCADLP COC[C@H](O)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000568620758 326367825 /nfs/dbraw/zinc/36/78/25/326367825.db2.gz PGJRGUVXTXUIFG-LLVKDONJSA-N 2 2 239.319 0.316 20 0 BCADLP CO[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000623758692 371083203 /nfs/dbraw/zinc/08/32/03/371083203.db2.gz KVAPCNRUMWZTLZ-YNEHKIRRSA-N 2 2 242.363 0.600 20 0 BCADLP CO[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000623758692 371083208 /nfs/dbraw/zinc/08/32/08/371083208.db2.gz KVAPCNRUMWZTLZ-YNEHKIRRSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000623777395 371089064 /nfs/dbraw/zinc/08/90/64/371089064.db2.gz CQVHABQXDJTQDU-ONGXEEELSA-N 2 2 221.304 0.827 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000623777395 371089071 /nfs/dbraw/zinc/08/90/71/371089071.db2.gz CQVHABQXDJTQDU-ONGXEEELSA-N 2 2 221.304 0.827 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](OC)C2)C1 ZINC000623808602 371103517 /nfs/dbraw/zinc/10/35/17/371103517.db2.gz ZFCQIDAPIVWGMU-IJLUTSLNSA-N 2 2 228.336 0.474 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](OC)C2)C1 ZINC000623808602 371103523 /nfs/dbraw/zinc/10/35/23/371103523.db2.gz ZFCQIDAPIVWGMU-IJLUTSLNSA-N 2 2 228.336 0.474 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631051294 371114949 /nfs/dbraw/zinc/11/49/49/371114949.db2.gz DGJMBNKTMCSZGQ-LLVKDONJSA-N 2 2 221.304 0.971 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631051294 371114951 /nfs/dbraw/zinc/11/49/51/371114951.db2.gz DGJMBNKTMCSZGQ-LLVKDONJSA-N 2 2 221.304 0.971 20 0 BCADLP C[C@H]1CC[C@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000623837061 371119129 /nfs/dbraw/zinc/11/91/29/371119129.db2.gz WLHFDNKVLFMRQZ-SRVKXCTJSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@H]1CC[C@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000623837061 371119130 /nfs/dbraw/zinc/11/91/30/371119130.db2.gz WLHFDNKVLFMRQZ-SRVKXCTJSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@H](O)CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000389962365 371183658 /nfs/dbraw/zinc/18/36/58/371183658.db2.gz WGQLKCYCVQGEFT-JBLDHEPKSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H](O)CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000389962365 371183660 /nfs/dbraw/zinc/18/36/60/371183660.db2.gz WGQLKCYCVQGEFT-JBLDHEPKSA-N 2 2 212.337 0.830 20 0 BCADLP CCC(CC)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624226403 371413367 /nfs/dbraw/zinc/41/33/67/371413367.db2.gz PUSWOSVLMSHDOM-LLVKDONJSA-N 2 2 200.326 0.831 20 0 BCADLP CCC(CC)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624226403 371413371 /nfs/dbraw/zinc/41/33/71/371413371.db2.gz PUSWOSVLMSHDOM-LLVKDONJSA-N 2 2 200.326 0.831 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCOCC2)C1 ZINC000624229515 371417265 /nfs/dbraw/zinc/41/72/65/371417265.db2.gz XFDBOWSKSLWGAW-VXGBXAGGSA-N 2 2 228.336 0.212 20 0 BCADLP O[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCOCC2)C1 ZINC000624229515 371417272 /nfs/dbraw/zinc/41/72/72/371417272.db2.gz XFDBOWSKSLWGAW-VXGBXAGGSA-N 2 2 228.336 0.212 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)[C@H]1C ZINC000624230894 371418415 /nfs/dbraw/zinc/41/84/15/371418415.db2.gz KJVMSAIIEUSWEK-WRWGMCAJSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)[C@H]1C ZINC000624230894 371418421 /nfs/dbraw/zinc/41/84/21/371418421.db2.gz KJVMSAIIEUSWEK-WRWGMCAJSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H](C(=O)N1CC[NH+](CCCF)CC1)[NH+](C)C ZINC000627959743 372156696 /nfs/dbraw/zinc/15/66/96/372156696.db2.gz YYISKQYQQHYKSB-NSHDSACASA-N 2 2 245.342 0.440 20 0 BCADLP Cc1cccn2c(C[NH2+][C@@H]3COC[C@@H]3O)c[nH+]c12 ZINC000631201453 372232447 /nfs/dbraw/zinc/23/24/47/372232447.db2.gz RZZWQOQKNIAELR-NEPJUHHUSA-N 2 2 247.298 0.492 20 0 BCADLP O[C@H](CC[NH2+]Cc1c[nH+]c2n1CCC2)C(F)F ZINC000631215015 372238331 /nfs/dbraw/zinc/23/83/31/372238331.db2.gz IAVOQLHYTPREIO-SECBINFHSA-N 2 2 245.273 0.935 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CN(c2ccncn2)C1 ZINC000631258364 372265640 /nfs/dbraw/zinc/26/56/40/372265640.db2.gz QWAFQFGOIUDAKK-ZYHUDNBSSA-N 2 2 247.346 0.205 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CN(c2ccncn2)C1 ZINC000631258364 372265644 /nfs/dbraw/zinc/26/56/44/372265644.db2.gz QWAFQFGOIUDAKK-ZYHUDNBSSA-N 2 2 247.346 0.205 20 0 BCADLP C[NH+]1CCC([NH2+]C2CN(c3ccncn3)C2)CC1 ZINC000631258460 372265882 /nfs/dbraw/zinc/26/58/82/372265882.db2.gz SUNRNZPSSSPHDB-UHFFFAOYSA-N 2 2 247.346 0.349 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2ccccn2)C1 ZINC000631823786 372602270 /nfs/dbraw/zinc/60/22/70/372602270.db2.gz NYKODJVTHPPDHO-GHMZBOCLSA-N 2 2 248.330 0.689 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2ccccn2)C1 ZINC000631823786 372602274 /nfs/dbraw/zinc/60/22/74/372602274.db2.gz NYKODJVTHPPDHO-GHMZBOCLSA-N 2 2 248.330 0.689 20 0 BCADLP [NH3+]C[C@@H]1CC[N@H+](Cc2nc(CC3CC3)no2)C1 ZINC000631820551 372592859 /nfs/dbraw/zinc/59/28/59/372592859.db2.gz CDVGGSIZFMXQDO-JTQLQIEISA-N 2 2 236.319 0.803 20 0 BCADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2nc(CC3CC3)no2)C1 ZINC000631820551 372592864 /nfs/dbraw/zinc/59/28/64/372592864.db2.gz CDVGGSIZFMXQDO-JTQLQIEISA-N 2 2 236.319 0.803 20 0 BCADLP C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631820876 372593116 /nfs/dbraw/zinc/59/31/16/372593116.db2.gz JACDAYRAVBQXAP-NXEZZACHSA-N 2 2 221.308 0.059 20 0 BCADLP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631820876 372593121 /nfs/dbraw/zinc/59/31/21/372593121.db2.gz JACDAYRAVBQXAP-NXEZZACHSA-N 2 2 221.308 0.059 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC000631821807 372596559 /nfs/dbraw/zinc/59/65/59/372596559.db2.gz JVOLSNXTNXCEFD-BDAKNGLRSA-N 2 2 209.297 0.044 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC000631821807 372596566 /nfs/dbraw/zinc/59/65/66/372596566.db2.gz JVOLSNXTNXCEFD-BDAKNGLRSA-N 2 2 209.297 0.044 20 0 BCADLP C[N@H+](C[C@@H]1CCc2ncnn21)C1(C[NH3+])CCC1 ZINC000631827760 372607825 /nfs/dbraw/zinc/60/78/25/372607825.db2.gz WFUJANUWIKIUNT-JTQLQIEISA-N 2 2 235.335 0.579 20 0 BCADLP C[N@@H+](C[C@@H]1CCc2ncnn21)C1(C[NH3+])CCC1 ZINC000631827760 372607826 /nfs/dbraw/zinc/60/78/26/372607826.db2.gz WFUJANUWIKIUNT-JTQLQIEISA-N 2 2 235.335 0.579 20 0 BCADLP COCCOCC[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631833640 372619013 /nfs/dbraw/zinc/61/90/13/372619013.db2.gz FDRSTOIUBHKFIN-LBPRGKRZSA-N 2 2 230.352 0.853 20 0 BCADLP COCCOCC[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631833640 372619016 /nfs/dbraw/zinc/61/90/16/372619016.db2.gz FDRSTOIUBHKFIN-LBPRGKRZSA-N 2 2 230.352 0.853 20 0 BCADLP Cc1noc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000631838032 372621067 /nfs/dbraw/zinc/62/10/67/372621067.db2.gz ILOVKZPSHLIZGA-VXNVDRBHSA-N 2 2 210.281 0.405 20 0 BCADLP Cc1noc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000631838032 372621070 /nfs/dbraw/zinc/62/10/70/372621070.db2.gz ILOVKZPSHLIZGA-VXNVDRBHSA-N 2 2 210.281 0.405 20 0 BCADLP CCCCNC(=O)CC[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631860544 372659948 /nfs/dbraw/zinc/65/99/48/372659948.db2.gz KVTHWBYQGPRUMA-GHMZBOCLSA-N 2 2 227.352 0.714 20 0 BCADLP CCCCNC(=O)CC[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631860544 372659953 /nfs/dbraw/zinc/65/99/53/372659953.db2.gz KVTHWBYQGPRUMA-GHMZBOCLSA-N 2 2 227.352 0.714 20 0 BCADLP Cn1c[nH+]cc1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631853521 372653087 /nfs/dbraw/zinc/65/30/87/372653087.db2.gz ZZLNIUGBMMADKX-AOOOYVTPSA-N 2 2 206.293 0.356 20 0 BCADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCC(=O)NC1CCCC1 ZINC000631860093 372660218 /nfs/dbraw/zinc/66/02/18/372660218.db2.gz UOXHUHJWKCWOGD-QWRGUYRKSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCC(=O)NC1CCCC1 ZINC000631860093 372660225 /nfs/dbraw/zinc/66/02/25/372660225.db2.gz UOXHUHJWKCWOGD-QWRGUYRKSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000631861504 372661938 /nfs/dbraw/zinc/66/19/38/372661938.db2.gz CQNJCMKDIJSHTC-KXUCPTDWSA-N 2 2 221.308 0.187 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@H]1CCc2ncnn21 ZINC000631861504 372661942 /nfs/dbraw/zinc/66/19/42/372661942.db2.gz CQNJCMKDIJSHTC-KXUCPTDWSA-N 2 2 221.308 0.187 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867805 372669152 /nfs/dbraw/zinc/66/91/52/372669152.db2.gz KSTYLHCMZMPSLU-YPMHNXCESA-N 2 2 239.363 0.587 20 0 BCADLP CS(=O)(=O)CCC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631868074 372671121 /nfs/dbraw/zinc/67/11/21/372671121.db2.gz VNWPAERPARKVMY-MNOVXSKESA-N 2 2 246.376 0.153 20 0 BCADLP CC[C@@H](C)NC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631869740 372671877 /nfs/dbraw/zinc/67/18/77/372671877.db2.gz SNWQQGMCAAEHIL-WZRBSPASSA-N 2 2 239.363 0.633 20 0 BCADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NC1CC1 ZINC000631888118 372681909 /nfs/dbraw/zinc/68/19/09/372681909.db2.gz WLEFJQHMHIDYOH-ZYHUDNBSSA-N 2 2 237.347 0.339 20 0 BCADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NC1CC1 ZINC000631888118 372681915 /nfs/dbraw/zinc/68/19/15/372681915.db2.gz WLEFJQHMHIDYOH-ZYHUDNBSSA-N 2 2 237.347 0.339 20 0 BCADLP Cc1cc(C)c(CNC(=O)NC[C@@H](C)[NH3+])c[nH+]1 ZINC000633716307 373702463 /nfs/dbraw/zinc/70/24/63/373702463.db2.gz QNBLABMGQXURJS-SECBINFHSA-N 2 2 236.319 0.845 20 0 BCADLP O=C(NCCCn1cc[nH+]c1)[C@]1(F)CC[NH2+]C1 ZINC000378209633 182178309 /nfs/dbraw/zinc/17/83/09/182178309.db2.gz KNAAKHMQSYOAFM-NSHDSACASA-N 2 2 240.282 0.091 20 0 BCADLP O=C(NCC[NH+]1CCCCC1)[C@H]1CSC[NH2+]1 ZINC000049575450 182185317 /nfs/dbraw/zinc/18/53/17/182185317.db2.gz PKJXDHRDLUYSOZ-SNVBAGLBSA-N 2 2 243.376 0.251 20 0 BCADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1CC[NH2+]1 ZINC000336597281 182264749 /nfs/dbraw/zinc/26/47/49/182264749.db2.gz SWMAKXVGRSPFPO-SNVBAGLBSA-N 2 2 230.271 0.312 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000124121412 182273927 /nfs/dbraw/zinc/27/39/27/182273927.db2.gz BWAURJRQGTTXKF-LBPRGKRZSA-N 2 2 248.330 0.900 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCCC[NH2+]1 ZINC000070646687 182273960 /nfs/dbraw/zinc/27/39/60/182273960.db2.gz HBDWYKHFSAVMEX-QMMMGPOBSA-N 2 2 208.265 0.168 20 0 BCADLP O=C(NCc1cn2ccccc2[nH+]1)[C@@H]1CCC[NH2+]1 ZINC000083909165 182268647 /nfs/dbraw/zinc/26/86/47/182268647.db2.gz DKHXVZVLOMKJNK-NSHDSACASA-N 2 2 244.298 0.703 20 0 BCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CSC[NH2+]1 ZINC000251330702 182302976 /nfs/dbraw/zinc/30/29/76/182302976.db2.gz PCVGNOBEAWLYDW-PSASIEDQSA-N 2 2 241.360 0.002 20 0 BCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CSC[NH2+]1 ZINC000251330702 182302978 /nfs/dbraw/zinc/30/29/78/182302978.db2.gz PCVGNOBEAWLYDW-PSASIEDQSA-N 2 2 241.360 0.002 20 0 BCADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CSC[NH2+]1 ZINC000251330707 182334752 /nfs/dbraw/zinc/33/47/52/182334752.db2.gz PCVGNOBEAWLYDW-WCBMZHEXSA-N 2 2 241.360 0.002 20 0 BCADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CSC[NH2+]1 ZINC000251330707 182334755 /nfs/dbraw/zinc/33/47/55/182334755.db2.gz PCVGNOBEAWLYDW-WCBMZHEXSA-N 2 2 241.360 0.002 20 0 BCADLP O=C(N[C@H]1CC[NH2+]C1)c1ccc2[nH+]ccn2c1 ZINC000178455827 182336616 /nfs/dbraw/zinc/33/66/16/182336616.db2.gz YLEVXADITMDBAY-JTQLQIEISA-N 2 2 230.271 0.426 20 0 BCADLP O=C1CC[C@H]([NH2+]CCn2cc[nH+]c2)C2(CCC2)N1 ZINC000282739995 182752973 /nfs/dbraw/zinc/75/29/73/182752973.db2.gz JEMREVGDUBYQNT-NSHDSACASA-N 2 2 248.330 0.674 20 0 BCADLP OCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266766596 183055452 /nfs/dbraw/zinc/05/54/52/183055452.db2.gz RFZATEVYRUSJTB-UHFFFAOYSA-N 2 2 209.293 0.972 20 0 BCADLP OCC[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000336720721 183093302 /nfs/dbraw/zinc/09/33/02/183093302.db2.gz ZWIZHFZJFUWSJS-NSHDSACASA-N 2 2 209.293 0.730 20 0 BCADLP OCC[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000336720721 183093304 /nfs/dbraw/zinc/09/33/04/183093304.db2.gz ZWIZHFZJFUWSJS-NSHDSACASA-N 2 2 209.293 0.730 20 0 BCADLP OC[C@@]1(F)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000338594104 183134347 /nfs/dbraw/zinc/13/43/47/183134347.db2.gz NDYWGMPUKOTKIU-LLVKDONJSA-N 2 2 227.283 0.680 20 0 BCADLP OC[C@@]1(F)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000338594104 183134350 /nfs/dbraw/zinc/13/43/50/183134350.db2.gz NDYWGMPUKOTKIU-LLVKDONJSA-N 2 2 227.283 0.680 20 0 BCADLP CCC[N@H+](C)CC(=O)N1CC[NH+](C2CC2)CC1 ZINC000359272250 169067665 /nfs/dbraw/zinc/06/76/65/169067665.db2.gz ABOFPWNFCWCUMN-UHFFFAOYSA-N 2 2 239.363 0.635 20 0 BCADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](C2CC2)CC1 ZINC000359272250 169067670 /nfs/dbraw/zinc/06/76/70/169067670.db2.gz ABOFPWNFCWCUMN-UHFFFAOYSA-N 2 2 239.363 0.635 20 0 BCADLP O[C@H](C[NH2+]Cc1ccncc1)C[NH+]1CCCC1 ZINC000037859690 183223993 /nfs/dbraw/zinc/22/39/93/183223993.db2.gz SWIVCDYKCRANKG-CYBMUJFWSA-N 2 2 235.331 0.628 20 0 BCADLP O[C@H](C[NH2+]Cc1cccnc1)C[NH+]1CCCC1 ZINC000037859692 183224041 /nfs/dbraw/zinc/22/40/41/183224041.db2.gz LCPQYRYBIRLWJS-CYBMUJFWSA-N 2 2 235.331 0.628 20 0 BCADLP CCC[N@H+](CCn1cccn1)[C@H]1CC[NH2+]C1 ZINC000070903541 169170195 /nfs/dbraw/zinc/17/01/95/169170195.db2.gz FVVBEVZSBOEWJD-LBPRGKRZSA-N 2 2 222.336 0.957 20 0 BCADLP CCC[N@@H+](CCn1cccn1)[C@H]1CC[NH2+]C1 ZINC000070903541 169170196 /nfs/dbraw/zinc/17/01/96/169170196.db2.gz FVVBEVZSBOEWJD-LBPRGKRZSA-N 2 2 222.336 0.957 20 0 BCADLP CCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000104067370 169186455 /nfs/dbraw/zinc/18/64/55/169186455.db2.gz XXIVHINDRIJMDR-GFCCVEGCSA-N 2 2 239.363 0.811 20 0 BCADLP CCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000104067370 169186456 /nfs/dbraw/zinc/18/64/56/169186456.db2.gz XXIVHINDRIJMDR-GFCCVEGCSA-N 2 2 239.363 0.811 20 0 BCADLP CCCNC(=O)C[NH2+]C1CC[NH+](C)CC1 ZINC000037248766 169225710 /nfs/dbraw/zinc/22/57/10/169225710.db2.gz RBLNKIUCIIQXHA-UHFFFAOYSA-N 2 2 213.325 0.196 20 0 BCADLP c1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)on1 ZINC000308937618 183347285 /nfs/dbraw/zinc/34/72/85/183347285.db2.gz DCNMOECANHNFKV-NSHDSACASA-N 2 2 207.277 0.860 20 0 BCADLP c1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)on1 ZINC000308937618 183347287 /nfs/dbraw/zinc/34/72/87/183347287.db2.gz DCNMOECANHNFKV-NSHDSACASA-N 2 2 207.277 0.860 20 0 BCADLP c1cc(C[NH2+]CCC[NH+]2CCCC2)n[nH]1 ZINC000036900164 183349764 /nfs/dbraw/zinc/34/97/64/183349764.db2.gz WQQHUAHUKWYVRL-UHFFFAOYSA-N 2 2 208.309 0.985 20 0 BCADLP CCCNC(=[NH2+])NCCCn1cc[nH+]c1 ZINC000052041519 169211431 /nfs/dbraw/zinc/21/14/31/169211431.db2.gz FAAKDDPADGEYHX-UHFFFAOYSA-N 2 2 209.297 0.797 20 0 BCADLP CCCNC(=O)CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336779869 169217902 /nfs/dbraw/zinc/21/79/02/169217902.db2.gz PQXBAHYHPODSMA-MNOVXSKESA-N 2 2 227.352 0.442 20 0 BCADLP CCCNC(=O)CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336779869 169217903 /nfs/dbraw/zinc/21/79/03/169217903.db2.gz PQXBAHYHPODSMA-MNOVXSKESA-N 2 2 227.352 0.442 20 0 BCADLP CCCNC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000019843137 169220749 /nfs/dbraw/zinc/22/07/49/169220749.db2.gz CJOZZTXOPOTYMJ-JTQLQIEISA-N 2 2 213.325 0.183 20 0 BCADLP CCCNC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000019843137 169220751 /nfs/dbraw/zinc/22/07/51/169220751.db2.gz CJOZZTXOPOTYMJ-JTQLQIEISA-N 2 2 213.325 0.183 20 0 BCADLP CC(C)(C)[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000353898493 166631593 /nfs/dbraw/zinc/63/15/93/166631593.db2.gz GCMVWNRHOSGTMX-UHFFFAOYSA-N 2 2 238.335 0.847 20 0 BCADLP CCCS(=O)(=O)CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000226422344 169330024 /nfs/dbraw/zinc/33/00/24/169330024.db2.gz LWZZEQQVLQLXPZ-WDEREUQCSA-N 2 2 248.392 0.480 20 0 BCADLP CCCS(=O)(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000226422344 169330026 /nfs/dbraw/zinc/33/00/26/169330026.db2.gz LWZZEQQVLQLXPZ-WDEREUQCSA-N 2 2 248.392 0.480 20 0 BCADLP CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261591079 535460018 /nfs/dbraw/zinc/46/00/18/535460018.db2.gz UYCPCTCYGFXXQQ-PWSUYJOCSA-N 2 2 228.336 0.999 20 0 BCADLP CCOC(=O)[C@@H](CC)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261591079 535460023 /nfs/dbraw/zinc/46/00/23/535460023.db2.gz UYCPCTCYGFXXQQ-PWSUYJOCSA-N 2 2 228.336 0.999 20 0 BCADLP C[C@H]([NH2+]CC[NH+](C)C)[C@H]1CCCOC1 ZINC000308637946 383826203 /nfs/dbraw/zinc/82/62/03/383826203.db2.gz CXSBBCGHSXPXLS-QWRGUYRKSA-N 2 2 200.326 0.953 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)CO1 ZINC000647214061 383983839 /nfs/dbraw/zinc/98/38/39/383983839.db2.gz LROOUJWLSKYZBS-JHJVBQTASA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)CO1 ZINC000647214061 383983842 /nfs/dbraw/zinc/98/38/42/383983842.db2.gz LROOUJWLSKYZBS-JHJVBQTASA-N 2 2 242.363 0.600 20 0 BCADLP [NH3+][C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000050243954 383986599 /nfs/dbraw/zinc/98/65/99/383986599.db2.gz TXASBRMCGJWJJO-NWDGAFQWSA-N 2 2 206.289 0.753 20 0 BCADLP [NH3+][C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000050243954 383986602 /nfs/dbraw/zinc/98/66/02/383986602.db2.gz TXASBRMCGJWJJO-NWDGAFQWSA-N 2 2 206.289 0.753 20 0 BCADLP CN(C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)C1CC1 ZINC000113515199 383990624 /nfs/dbraw/zinc/99/06/24/383990624.db2.gz JBRWVRXUANJILS-NSHDSACASA-N 2 2 239.363 0.491 20 0 BCADLP CN(C(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1)C1CC1 ZINC000113515199 383990631 /nfs/dbraw/zinc/99/06/31/383990631.db2.gz JBRWVRXUANJILS-NSHDSACASA-N 2 2 239.363 0.491 20 0 BCADLP CCC[C@](C)([NH3+])C(=O)NCc1[nH]cc[nH+]1 ZINC000070646723 383949698 /nfs/dbraw/zinc/94/96/98/383949698.db2.gz NOOPVHKWZOSDJB-JTQLQIEISA-N 2 2 210.281 0.543 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccnc1 ZINC000068801970 384016572 /nfs/dbraw/zinc/01/65/72/384016572.db2.gz ZOFRQXZPASPMLO-OCCSQVGLSA-N 2 2 248.374 0.978 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccnc1 ZINC000068801970 384016576 /nfs/dbraw/zinc/01/65/76/384016576.db2.gz ZOFRQXZPASPMLO-OCCSQVGLSA-N 2 2 248.374 0.978 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccncc1 ZINC000068802978 384016692 /nfs/dbraw/zinc/01/66/92/384016692.db2.gz ZRAMSRIDROFBPE-JSGCOSHPSA-N 2 2 248.374 0.978 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccncc1 ZINC000068802978 384016697 /nfs/dbraw/zinc/01/66/97/384016697.db2.gz ZRAMSRIDROFBPE-JSGCOSHPSA-N 2 2 248.374 0.978 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ncc[nH]1 ZINC000049715435 384023960 /nfs/dbraw/zinc/02/39/60/384023960.db2.gz WPECFOUNLBLBLO-VIFPVBQESA-N 2 2 205.265 0.785 20 0 BCADLP C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000518560298 384010639 /nfs/dbraw/zinc/01/06/39/384010639.db2.gz XRROEFDHOOIPHW-SNVBAGLBSA-N 2 2 236.319 0.710 20 0 BCADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000518560298 384010644 /nfs/dbraw/zinc/01/06/44/384010644.db2.gz XRROEFDHOOIPHW-SNVBAGLBSA-N 2 2 236.319 0.710 20 0 BCADLP CC(C)[N@H+](C)CC(=O)NCc1[nH]cc[nH+]1 ZINC000114339910 384033099 /nfs/dbraw/zinc/03/30/99/384033099.db2.gz OEICWJGMEAAQNV-UHFFFAOYSA-N 2 2 210.281 0.366 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)NCc1[nH]cc[nH+]1 ZINC000114339910 384033109 /nfs/dbraw/zinc/03/31/09/384033109.db2.gz OEICWJGMEAAQNV-UHFFFAOYSA-N 2 2 210.281 0.366 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000401812731 384055986 /nfs/dbraw/zinc/05/59/86/384055986.db2.gz VIDDOGCTMMNCBU-SNVBAGLBSA-N 3 2 208.309 0.243 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000401812731 384055988 /nfs/dbraw/zinc/05/59/88/384055988.db2.gz VIDDOGCTMMNCBU-SNVBAGLBSA-N 3 2 208.309 0.243 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CC[C@H](C)[NH3+] ZINC000069839343 384065782 /nfs/dbraw/zinc/06/57/82/384065782.db2.gz JMTVNTUTYACUBM-VHSXEESVSA-N 2 2 224.308 0.515 20 0 BCADLP COC1CC([NH2+]C[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000449392096 384157708 /nfs/dbraw/zinc/15/77/08/384157708.db2.gz IVILNGBVGZQFPX-OTTFEQOBSA-N 2 2 242.363 0.600 20 0 BCADLP COC1CC([NH2+]C[C@H]2CCCC[N@H+]2CCO)C1 ZINC000449392096 384157711 /nfs/dbraw/zinc/15/77/11/384157711.db2.gz IVILNGBVGZQFPX-OTTFEQOBSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449395656 384169297 /nfs/dbraw/zinc/16/92/97/384169297.db2.gz JNCNXYGUNKSAIW-XQQFMLRXSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449395656 384169301 /nfs/dbraw/zinc/16/93/01/384169301.db2.gz JNCNXYGUNKSAIW-XQQFMLRXSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc[nH]n2)CC[N@@H+]1C ZINC000090720729 384170180 /nfs/dbraw/zinc/17/01/80/384170180.db2.gz AXSYBELEZURMFE-ZJUUUORDSA-N 2 2 208.309 0.982 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc[nH]n2)CC[N@H+]1C ZINC000090720729 384170183 /nfs/dbraw/zinc/17/01/83/384170183.db2.gz AXSYBELEZURMFE-ZJUUUORDSA-N 2 2 208.309 0.982 20 0 BCADLP Cc1noc(C)c1C[NH+]1CCN(CC[NH3+])CC1 ZINC000031933878 384182896 /nfs/dbraw/zinc/18/28/96/384182896.db2.gz OSDMAYIXUBZZLI-UHFFFAOYSA-N 2 2 238.335 0.368 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000163232342 384184297 /nfs/dbraw/zinc/18/42/97/384184297.db2.gz TYRFRKZFKVYPGB-DTWKUNHWSA-N 2 2 236.323 0.177 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000163232342 384184303 /nfs/dbraw/zinc/18/43/03/384184303.db2.gz TYRFRKZFKVYPGB-DTWKUNHWSA-N 2 2 236.323 0.177 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336599573 384206791 /nfs/dbraw/zinc/20/67/91/384206791.db2.gz PJVJKXVOIMNZFO-DGCLKSJQSA-N 2 2 239.363 0.491 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336599573 384206794 /nfs/dbraw/zinc/20/67/94/384206794.db2.gz PJVJKXVOIMNZFO-DGCLKSJQSA-N 2 2 239.363 0.491 20 0 BCADLP C[C@H](C(=O)N(C)C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336599573 384206797 /nfs/dbraw/zinc/20/67/97/384206797.db2.gz PJVJKXVOIMNZFO-DGCLKSJQSA-N 2 2 239.363 0.491 20 0 BCADLP C[C@H](C(=O)N(C)C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336599573 384206801 /nfs/dbraw/zinc/20/68/01/384206801.db2.gz PJVJKXVOIMNZFO-DGCLKSJQSA-N 2 2 239.363 0.491 20 0 BCADLP Cn1c[nH+]cc1CC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000401878344 384192300 /nfs/dbraw/zinc/19/23/00/384192300.db2.gz OVTMSZAYDORFAI-GFCCVEGCSA-N 3 2 236.363 0.940 20 0 BCADLP C[C@@H]([NH2+][C@H]1CCCCNC1=O)[C@H]1CCC[NH2+]1 ZINC000333258120 384260081 /nfs/dbraw/zinc/26/00/81/384260081.db2.gz IJAROIIXPXHEOG-MXWKQRLJSA-N 2 2 225.336 0.385 20 0 BCADLP CC[N@H+](C)CC[NH2+]C[C@H]1CCCOC1 ZINC000082581227 384242030 /nfs/dbraw/zinc/24/20/30/384242030.db2.gz IZQWXTKYENVNMJ-LLVKDONJSA-N 2 2 200.326 0.954 20 0 BCADLP CC[N@@H+](C)CC[NH2+]C[C@H]1CCCOC1 ZINC000082581227 384242036 /nfs/dbraw/zinc/24/20/36/384242036.db2.gz IZQWXTKYENVNMJ-LLVKDONJSA-N 2 2 200.326 0.954 20 0 BCADLP Cn1nncc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352546303 384305563 /nfs/dbraw/zinc/30/55/63/384305563.db2.gz SRDXPIIZXIRUAW-JTQLQIEISA-N 2 2 223.324 0.518 20 0 BCADLP Cn1nncc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352546303 384305565 /nfs/dbraw/zinc/30/55/65/384305565.db2.gz SRDXPIIZXIRUAW-JTQLQIEISA-N 2 2 223.324 0.518 20 0 BCADLP C[NH2+]CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000082276238 384317269 /nfs/dbraw/zinc/31/72/69/384317269.db2.gz PFDHRZLOXAKXIE-UHFFFAOYSA-N 2 2 222.292 0.335 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCc2cn(C)c[nH+]2)CO1 ZINC000401915323 384279414 /nfs/dbraw/zinc/27/94/14/384279414.db2.gz WHVPTKTUVUOEJW-KOLCDFICSA-N 2 2 209.293 0.730 20 0 BCADLP Cc1ccc(NC(=O)[C@H]2CC[NH2+]2)c(C)[nH+]1 ZINC000336467373 384347173 /nfs/dbraw/zinc/34/71/73/384347173.db2.gz MUFIAAUZONSKAK-SNVBAGLBSA-N 2 2 205.261 0.999 20 0 BCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC000076002369 384350842 /nfs/dbraw/zinc/35/08/42/384350842.db2.gz OGATZTNMCSNWCU-QWRGUYRKSA-N 2 2 227.352 0.524 20 0 BCADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC000076002369 384350849 /nfs/dbraw/zinc/35/08/49/384350849.db2.gz OGATZTNMCSNWCU-QWRGUYRKSA-N 2 2 227.352 0.524 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000335593287 384358771 /nfs/dbraw/zinc/35/87/71/384358771.db2.gz AGWFFXHNJDSZRU-WPRPVWTQSA-N 2 2 222.292 0.414 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000335593287 384358781 /nfs/dbraw/zinc/35/87/81/384358781.db2.gz AGWFFXHNJDSZRU-WPRPVWTQSA-N 2 2 222.292 0.414 20 0 BCADLP Cc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)nn1C ZINC000647509991 384362763 /nfs/dbraw/zinc/36/27/63/384362763.db2.gz VQUFFNXXOUTVGF-QWRGUYRKSA-N 2 2 222.336 0.898 20 0 BCADLP Cc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)nn1C ZINC000647509991 384362769 /nfs/dbraw/zinc/36/27/69/384362769.db2.gz VQUFFNXXOUTVGF-QWRGUYRKSA-N 2 2 222.336 0.898 20 0 BCADLP CN(C)c1nc(NCCc2cn(C)c[nH+]2)cc[nH+]1 ZINC000313458530 384400004 /nfs/dbraw/zinc/40/00/04/384400004.db2.gz IBAHHCQGPCNLAQ-UHFFFAOYSA-N 2 2 246.318 0.931 20 0 BCADLP Cc1nc(N[C@@H](C)CC[NH+](C)C)nc(N)[nH+]1 ZINC000304566641 384418457 /nfs/dbraw/zinc/41/84/57/384418457.db2.gz ZJHXBRGYCVKUGH-ZETCQYMHSA-N 2 2 224.312 0.514 20 0 BCADLP Cc1nc(N)nc(N[C@@H](C)CC[NH+](C)C)[nH+]1 ZINC000304566641 384418464 /nfs/dbraw/zinc/41/84/64/384418464.db2.gz ZJHXBRGYCVKUGH-ZETCQYMHSA-N 2 2 224.312 0.514 20 0 BCADLP C[C@@H](O)C(C)(C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000144863330 384388721 /nfs/dbraw/zinc/38/87/21/384388721.db2.gz ZLRQTTCXUGAALS-SECBINFHSA-N 2 2 240.351 0.735 20 0 BCADLP CC[C@]1(C(=O)NCCn2cc[nH+]c2)CCC[NH2+]1 ZINC000121975437 384447665 /nfs/dbraw/zinc/44/76/65/384447665.db2.gz QZNKMXUSYYTHRH-GFCCVEGCSA-N 2 2 236.319 0.532 20 0 BCADLP C[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])Cn1cc[nH+]c1 ZINC000249061757 384475953 /nfs/dbraw/zinc/47/59/53/384475953.db2.gz PGYBTHAQZFBGMK-MXWKQRLJSA-N 2 2 238.335 0.619 20 0 BCADLP [NH3+][C@@H]1CC[C@@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000097092912 384496390 /nfs/dbraw/zinc/49/63/90/384496390.db2.gz VHBAGPUWGCMCNM-GHMZBOCLSA-N 2 2 236.319 0.517 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000097093291 384497855 /nfs/dbraw/zinc/49/78/55/384497855.db2.gz DPDOFVATAXKGGA-MXWKQRLJSA-N 2 2 236.319 0.515 20 0 BCADLP C[C@@H]1C[NH2+][C@@H](C)CN1Cc1c[nH+]cn1C ZINC000085170914 384509477 /nfs/dbraw/zinc/50/94/77/384509477.db2.gz OKUDEZOGTGJWIE-VHSXEESVSA-N 2 2 208.309 0.602 20 0 BCADLP C[NH+](C)C[C@@H]1CN(CCn2cc[nH+]c2)CCO1 ZINC000161687655 384516178 /nfs/dbraw/zinc/51/61/78/384516178.db2.gz DOVVDYVYUDDYFJ-GFCCVEGCSA-N 2 2 238.335 0.146 20 0 BCADLP C[NH+](C)C[C@H]1CN(CCn2cc[nH+]c2)CCO1 ZINC000161687776 384517230 /nfs/dbraw/zinc/51/72/30/384517230.db2.gz DOVVDYVYUDDYFJ-LBPRGKRZSA-N 2 2 238.335 0.146 20 0 BCADLP COc1cc[nH+]cc1CNC(=O)/C=C\C[NH+](C)C ZINC000492857055 533072577 /nfs/dbraw/zinc/07/25/77/533072577.db2.gz XFSSQUYTDYESJW-PLNGDYQASA-N 2 2 249.314 0.824 20 0 BCADLP C[C@@H](CNC(=O)CCCC[NH3+])Cn1cc[nH+]c1 ZINC000569607605 384530737 /nfs/dbraw/zinc/53/07/37/384530737.db2.gz SDWNDOXPSQTUPS-NSHDSACASA-N 2 2 238.335 0.764 20 0 BCADLP O=C1[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCN1C1CC1 ZINC000428033327 384560874 /nfs/dbraw/zinc/56/08/74/384560874.db2.gz QTAJGOVRVVCXQC-KGYLQXTDSA-N 2 2 249.358 0.434 20 0 BCADLP O=C1[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCN1C1CC1 ZINC000428033327 384560881 /nfs/dbraw/zinc/56/08/81/384560881.db2.gz QTAJGOVRVVCXQC-KGYLQXTDSA-N 2 2 249.358 0.434 20 0 BCADLP COC(=O)C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000049801030 384568098 /nfs/dbraw/zinc/56/80/98/384568098.db2.gz QRHLIKDBSGDLSN-UHFFFAOYSA-N 2 2 237.303 0.768 20 0 BCADLP COC(=O)[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000050048626 384585826 /nfs/dbraw/zinc/58/58/26/384585826.db2.gz AUPLJZWXGOCQDK-NSHDSACASA-N 2 2 237.303 0.829 20 0 BCADLP COC(=O)[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1C ZINC000050048626 384585834 /nfs/dbraw/zinc/58/58/34/384585834.db2.gz AUPLJZWXGOCQDK-NSHDSACASA-N 2 2 237.303 0.829 20 0 BCADLP COC(=O)[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000050048597 384587136 /nfs/dbraw/zinc/58/71/36/384587136.db2.gz UCLSQKYQJACSAP-LLVKDONJSA-N 2 2 237.303 0.911 20 0 BCADLP COC(=O)[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000050048597 384587142 /nfs/dbraw/zinc/58/71/42/384587142.db2.gz UCLSQKYQJACSAP-LLVKDONJSA-N 2 2 237.303 0.911 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]Cc1cn(C)nc1C ZINC000184549996 384620535 /nfs/dbraw/zinc/62/05/35/384620535.db2.gz HMVYRUNCYWNNLT-UHFFFAOYSA-N 2 2 240.351 0.132 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]Cc1cn(C)nc1C ZINC000184549996 384620540 /nfs/dbraw/zinc/62/05/40/384620540.db2.gz HMVYRUNCYWNNLT-UHFFFAOYSA-N 2 2 240.351 0.132 20 0 BCADLP CCOCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000171929480 384676415 /nfs/dbraw/zinc/67/64/15/384676415.db2.gz JWUWOBMKNMXPIV-UHFFFAOYSA-N 2 2 238.335 0.564 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647532787 384640399 /nfs/dbraw/zinc/64/03/99/384640399.db2.gz DGPLWJLBTDQAHT-WDEREUQCSA-N 2 2 220.320 0.604 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000564822700 384645379 /nfs/dbraw/zinc/64/53/79/384645379.db2.gz KYMVLKBBYSIQCQ-WYUUTHIRSA-N 2 2 228.336 0.114 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000564822699 384646173 /nfs/dbraw/zinc/64/61/73/384646173.db2.gz KYMVLKBBYSIQCQ-WISYIIOYSA-N 2 2 228.336 0.114 20 0 BCADLP CC(=O)N1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000124633772 384662741 /nfs/dbraw/zinc/66/27/41/384662741.db2.gz IQZCUZOCADEBAA-CYBMUJFWSA-N 2 2 239.363 0.635 20 0 BCADLP CC(=O)N1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000124633772 384662745 /nfs/dbraw/zinc/66/27/45/384662745.db2.gz IQZCUZOCADEBAA-CYBMUJFWSA-N 2 2 239.363 0.635 20 0 BCADLP CNC(=O)C[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316071354 384724126 /nfs/dbraw/zinc/72/41/26/384724126.db2.gz HOCCZSYDAOKOPR-GUBZILKMSA-N 2 2 213.325 0.180 20 0 BCADLP CNC(=O)C[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316071354 384724131 /nfs/dbraw/zinc/72/41/31/384724131.db2.gz HOCCZSYDAOKOPR-GUBZILKMSA-N 2 2 213.325 0.180 20 0 BCADLP Cc1cn2c([nH+]1)CN(C(=O)C[NH+](C)C)CC2 ZINC000363671596 384680806 /nfs/dbraw/zinc/68/08/06/384680806.db2.gz HHTHUVQNJARCGP-UHFFFAOYSA-N 2 2 222.292 0.095 20 0 BCADLP CCCCNC(=O)CC[N@H+](C)[C@H](C)C[NH3+] ZINC000336749658 384685505 /nfs/dbraw/zinc/68/55/05/384685505.db2.gz UIVJFDWIVWKZHY-SNVBAGLBSA-N 2 2 215.341 0.572 20 0 BCADLP CCCCNC(=O)CC[N@@H+](C)[C@H](C)C[NH3+] ZINC000336749658 384685512 /nfs/dbraw/zinc/68/55/12/384685512.db2.gz UIVJFDWIVWKZHY-SNVBAGLBSA-N 2 2 215.341 0.572 20 0 BCADLP CCN(C)C(=O)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000185178262 384689401 /nfs/dbraw/zinc/68/94/01/384689401.db2.gz XBOMNVBFONYJQC-UHFFFAOYSA-N 2 2 246.314 0.902 20 0 BCADLP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)nc1 ZINC000358136604 384692186 /nfs/dbraw/zinc/69/21/86/384692186.db2.gz LKJBJJJERJFZNN-ZDUSSCGKSA-N 2 2 235.331 0.546 20 0 BCADLP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)nc1 ZINC000358136604 384692194 /nfs/dbraw/zinc/69/21/94/384692194.db2.gz LKJBJJJERJFZNN-ZDUSSCGKSA-N 2 2 235.331 0.546 20 0 BCADLP CN(Cc1c[nH+]c2ccccn12)C1C[NH2+]C1 ZINC000647541935 384700669 /nfs/dbraw/zinc/70/06/69/384700669.db2.gz KIHDIGXYTCUOSR-UHFFFAOYSA-N 2 2 216.288 0.738 20 0 BCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1CC[NH+]1CCOCC1 ZINC000357001841 384703560 /nfs/dbraw/zinc/70/35/60/384703560.db2.gz MUUPVKUFIFNHMM-QWHCGFSZSA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1CC[NH+]1CCOCC1 ZINC000357001841 384703567 /nfs/dbraw/zinc/70/35/67/384703567.db2.gz MUUPVKUFIFNHMM-QWHCGFSZSA-N 2 2 241.379 0.343 20 0 BCADLP CCCNC(=O)C[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000315894239 384717314 /nfs/dbraw/zinc/71/73/14/384717314.db2.gz ABWSUNNLHTWHPB-TUAOUCFPSA-N 2 2 241.379 0.960 20 0 BCADLP CCCNC(=O)C[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000315894239 384717322 /nfs/dbraw/zinc/71/73/22/384717322.db2.gz ABWSUNNLHTWHPB-TUAOUCFPSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@@H](C[S@@](C)=O)[N@H+](C)CCn1cc[nH+]c1 ZINC000126162100 384776197 /nfs/dbraw/zinc/77/61/97/384776197.db2.gz RBAUNTKRIAKCLR-BONVTDFDSA-N 2 2 229.349 0.582 20 0 BCADLP C[C@@H](C[S@@](C)=O)[N@@H+](C)CCn1cc[nH+]c1 ZINC000126162100 384776202 /nfs/dbraw/zinc/77/62/02/384776202.db2.gz RBAUNTKRIAKCLR-BONVTDFDSA-N 2 2 229.349 0.582 20 0 BCADLP C[C@@]1(C[NH2+]C[C@@H]2CCCC[NH2+]2)CC[NH2+]C1 ZINC000647546528 384730797 /nfs/dbraw/zinc/73/07/97/384730797.db2.gz OBRCRXWLKGLBFA-NWDGAFQWSA-N 3 2 211.353 0.718 20 0 BCADLP C[C@]1(C[NH2+]C[C@H]2CCCC[NH2+]2)CC[NH2+]C1 ZINC000647546527 384731445 /nfs/dbraw/zinc/73/14/45/384731445.db2.gz OBRCRXWLKGLBFA-NEPJUHHUSA-N 3 2 211.353 0.718 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647549743 384747970 /nfs/dbraw/zinc/74/79/70/384747970.db2.gz OUBAXFKOCVEHIR-DCAQKATOSA-N 2 2 223.324 0.254 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647549744 384748627 /nfs/dbraw/zinc/74/86/27/384748627.db2.gz OUBAXFKOCVEHIR-GARJFASQSA-N 2 2 223.324 0.254 20 0 BCADLP C[C@H]([NH2+][C@H]1C[NH2+]C[C@H](C)C1)C(=O)N(C)C ZINC000647551521 384755330 /nfs/dbraw/zinc/75/53/30/384755330.db2.gz SQTDGZCODUWCRP-KXUCPTDWSA-N 2 2 213.325 0.051 20 0 BCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccncc1 ZINC000125912819 384760265 /nfs/dbraw/zinc/76/02/65/384760265.db2.gz MJTPAXBWJIMCQN-LBPRGKRZSA-N 2 2 223.320 0.484 20 0 BCADLP C[N@@H+]1CCN(C[C@@H]2CCSC2)[C@H](C[NH3+])C1 ZINC000300234911 384827646 /nfs/dbraw/zinc/82/76/46/384827646.db2.gz XUUSDPJCDAETBT-WDEREUQCSA-N 2 2 229.393 0.314 20 0 BCADLP C[N@H+]1CCN(C[C@@H]2CCSC2)[C@H](C[NH3+])C1 ZINC000300234911 384827653 /nfs/dbraw/zinc/82/76/53/384827653.db2.gz XUUSDPJCDAETBT-WDEREUQCSA-N 2 2 229.393 0.314 20 0 BCADLP C[N@H+](Cc1nc(C[NH3+])no1)[C@@H]1CCSC1 ZINC000568390677 384877811 /nfs/dbraw/zinc/87/78/11/384877811.db2.gz CGWMZDXLLGBJFB-SSDOTTSWSA-N 2 2 228.321 0.466 20 0 BCADLP C[N@@H+](Cc1nc(C[NH3+])no1)[C@@H]1CCSC1 ZINC000568390677 384877819 /nfs/dbraw/zinc/87/78/19/384877819.db2.gz CGWMZDXLLGBJFB-SSDOTTSWSA-N 2 2 228.321 0.466 20 0 BCADLP CC(C)NC(=O)CC[NH2+]C(C)(C)C[NH+](C)C ZINC000308629645 384879118 /nfs/dbraw/zinc/87/91/18/384879118.db2.gz BXSLLTVSMFMAHP-UHFFFAOYSA-N 2 2 229.368 0.831 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)[C@@H]1CCCO1 ZINC000310105563 384843152 /nfs/dbraw/zinc/84/31/52/384843152.db2.gz PBGYUPPSTDDTIG-XQQFMLRXSA-N 2 2 241.379 0.389 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)[C@@H]1CCCO1 ZINC000310105563 384843161 /nfs/dbraw/zinc/84/31/61/384843161.db2.gz PBGYUPPSTDDTIG-XQQFMLRXSA-N 2 2 241.379 0.389 20 0 BCADLP C[C@]1(C[NH3+])CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000309511835 384849809 /nfs/dbraw/zinc/84/98/09/384849809.db2.gz XOCBIHAPFAZLMS-VXGBXAGGSA-N 3 2 211.353 0.657 20 0 BCADLP C[C@]1(C[NH3+])CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000309511835 384849819 /nfs/dbraw/zinc/84/98/19/384849819.db2.gz XOCBIHAPFAZLMS-VXGBXAGGSA-N 3 2 211.353 0.657 20 0 BCADLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCC[NH2+]1 ZINC000423379335 384849863 /nfs/dbraw/zinc/84/98/63/384849863.db2.gz XEXITHFQPPIKLN-NNYUYHANSA-N 3 2 211.353 0.986 20 0 BCADLP CC(C)OC[C@H](O)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000644547939 384951445 /nfs/dbraw/zinc/95/14/45/384951445.db2.gz HFNCFGYOTVIAOQ-NWDGAFQWSA-N 2 2 230.352 0.456 20 0 BCADLP CC(C)OC[C@H](O)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000644547939 384951454 /nfs/dbraw/zinc/95/14/54/384951454.db2.gz HFNCFGYOTVIAOQ-NWDGAFQWSA-N 2 2 230.352 0.456 20 0 BCADLP CCCCOC[C@@H](O)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000644547774 384952191 /nfs/dbraw/zinc/95/21/91/384952191.db2.gz RHIPHIUQRLUAKR-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP CCCCOC[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000644547774 384952195 /nfs/dbraw/zinc/95/21/95/384952195.db2.gz RHIPHIUQRLUAKR-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648164391 384905365 /nfs/dbraw/zinc/90/53/65/384905365.db2.gz NLNGCCPACRJEKE-UTUOFQBUSA-N 2 2 248.330 0.482 20 0 BCADLP COC[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)C1CC1 ZINC000397247960 384917044 /nfs/dbraw/zinc/91/70/44/384917044.db2.gz BPQPJTZOVBDOKI-RTXFEEFZSA-N 2 2 242.363 0.768 20 0 BCADLP C[C@@H](C[NH3+])Nc1cc(N2CCCC2)[nH+]cn1 ZINC000258660651 384936871 /nfs/dbraw/zinc/93/68/71/384936871.db2.gz NLYCVZMZANDFJP-VIFPVBQESA-N 2 2 221.308 0.836 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000081900423 384942840 /nfs/dbraw/zinc/94/28/40/384942840.db2.gz QOHDJQZERTWBHR-ZJUUUORDSA-N 2 2 245.348 0.294 20 0 BCADLP COc1cccc(C[NH2+]C[C@H]2C[NH2+]CCN2C)c1 ZINC000258883664 384944853 /nfs/dbraw/zinc/94/48/53/384944853.db2.gz JGQVGKDNNYCTQN-CYBMUJFWSA-N 2 2 249.358 0.688 20 0 BCADLP Cc1cccc(C[NH2+]C[C@H]2C[NH2+]CCN2C)c1 ZINC000258830741 384944913 /nfs/dbraw/zinc/94/49/13/384944913.db2.gz DCDPBXWOCDMMGM-CQSZACIVSA-N 2 2 233.359 0.988 20 0 BCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1cccs1 ZINC000258851176 384947815 /nfs/dbraw/zinc/94/78/15/384947815.db2.gz FZUMQAXINJIOLV-SNVBAGLBSA-N 2 2 225.361 0.741 20 0 BCADLP [NH3+][C@H]1CC[N@H+](CCC(=O)Nc2cccnc2)C1 ZINC000358320805 384966291 /nfs/dbraw/zinc/96/62/91/384966291.db2.gz MCZRWIMVUHCNMI-JTQLQIEISA-N 2 2 234.303 0.443 20 0 BCADLP [NH3+][C@H]1CC[N@@H+](CCC(=O)Nc2cccnc2)C1 ZINC000358320805 384966299 /nfs/dbraw/zinc/96/62/99/384966299.db2.gz MCZRWIMVUHCNMI-JTQLQIEISA-N 2 2 234.303 0.443 20 0 BCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107579456 384983888 /nfs/dbraw/zinc/98/38/88/384983888.db2.gz PANXLQFFOFELOF-MXWKQRLJSA-N 2 2 239.363 0.441 20 0 BCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107579456 384983895 /nfs/dbraw/zinc/98/38/95/384983895.db2.gz PANXLQFFOFELOF-MXWKQRLJSA-N 2 2 239.363 0.441 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000310337600 384995219 /nfs/dbraw/zinc/99/52/19/384995219.db2.gz NENBILQDITWMAM-VXGBXAGGSA-N 2 2 239.363 0.587 20 0 BCADLP CCCCNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000310337600 384995228 /nfs/dbraw/zinc/99/52/28/384995228.db2.gz NENBILQDITWMAM-VXGBXAGGSA-N 2 2 239.363 0.587 20 0 BCADLP CO[C@H]1CC[N@H+](CCn2cccn2)[C@@H](C[NH3+])C1 ZINC000226418839 385014086 /nfs/dbraw/zinc/01/40/86/385014086.db2.gz ZKJYETISWRKYFG-NEPJUHHUSA-N 2 2 238.335 0.321 20 0 BCADLP CO[C@H]1CC[N@@H+](CCn2cccn2)[C@@H](C[NH3+])C1 ZINC000226418839 385014093 /nfs/dbraw/zinc/01/40/93/385014093.db2.gz ZKJYETISWRKYFG-NEPJUHHUSA-N 2 2 238.335 0.321 20 0 BCADLP CC[C@@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000644650750 385064698 /nfs/dbraw/zinc/06/46/98/385064698.db2.gz FUOJJNJBEBPGNA-RKDXNWHRSA-N 2 2 209.293 0.628 20 0 BCADLP CC[C@@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000644650750 385064706 /nfs/dbraw/zinc/06/47/06/385064706.db2.gz FUOJJNJBEBPGNA-RKDXNWHRSA-N 2 2 209.293 0.628 20 0 BCADLP Cc1cnc([C@H](C)[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000644659388 385069440 /nfs/dbraw/zinc/06/94/40/385069440.db2.gz JMIVZJWHWJEGGI-SRVKXCTJSA-N 2 2 232.331 0.997 20 0 BCADLP C[C@@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000644633065 385034682 /nfs/dbraw/zinc/03/46/82/385034682.db2.gz NWWLMKSECTXVQB-ZYHUDNBSSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000644633065 385034686 /nfs/dbraw/zinc/03/46/86/385034686.db2.gz NWWLMKSECTXVQB-ZYHUDNBSSA-N 2 2 212.337 0.974 20 0 BCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H](C)[NH+](C)C ZINC000647459878 385046194 /nfs/dbraw/zinc/04/61/94/385046194.db2.gz WEHDTCVZKKMYTQ-QWRGUYRKSA-N 2 2 227.352 0.489 20 0 BCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)[NH+](C)C ZINC000647459878 385046200 /nfs/dbraw/zinc/04/62/00/385046200.db2.gz WEHDTCVZKKMYTQ-QWRGUYRKSA-N 2 2 227.352 0.489 20 0 BCADLP Cn1cnnc1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000404841015 385104750 /nfs/dbraw/zinc/10/47/50/385104750.db2.gz NELSMBKLADODNO-JGVFFNPUSA-N 2 2 209.297 0.031 20 0 BCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000646976210 385105975 /nfs/dbraw/zinc/10/59/75/385105975.db2.gz DTFNULYERSZFRQ-MRVPVSSYSA-N 2 2 235.278 0.181 20 0 BCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000646976210 385105978 /nfs/dbraw/zinc/10/59/78/385105978.db2.gz DTFNULYERSZFRQ-MRVPVSSYSA-N 2 2 235.278 0.181 20 0 BCADLP C[C@H](C[NH2+]Cc1cnnn1C)Cn1cc[nH+]c1 ZINC000530952779 385187971 /nfs/dbraw/zinc/18/79/71/385187971.db2.gz KSVHPOQDMBZYMV-SNVBAGLBSA-N 2 2 234.307 0.438 20 0 BCADLP C[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000647020826 385147951 /nfs/dbraw/zinc/14/79/51/385147951.db2.gz NPIFENVRDYARKE-WKEGUHRASA-N 2 2 243.257 0.428 20 0 BCADLP CC(C)[C@@H]([NH3+])C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000165581984 385149271 /nfs/dbraw/zinc/14/92/71/385149271.db2.gz CVVKBIQTHHSSEW-WDEREUQCSA-N 2 2 238.335 0.619 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157342373 385150388 /nfs/dbraw/zinc/15/03/88/385150388.db2.gz KHZDENODBZETNV-GFCCVEGCSA-N 2 2 239.363 0.540 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157342373 385150393 /nfs/dbraw/zinc/15/03/93/385150393.db2.gz KHZDENODBZETNV-GFCCVEGCSA-N 2 2 239.363 0.540 20 0 BCADLP [NH3+]CCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479898 385155118 /nfs/dbraw/zinc/15/51/18/385155118.db2.gz XWDFMLIJJBCNGA-RYUDHWBXSA-N 3 2 211.353 0.799 20 0 BCADLP [NH3+]CCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479898 385155126 /nfs/dbraw/zinc/15/51/26/385155126.db2.gz XWDFMLIJJBCNGA-RYUDHWBXSA-N 3 2 211.353 0.799 20 0 BCADLP COc1cc[nH+]cc1CNC(=O)[C@H](C)[NH+](C)C ZINC000647068633 385214617 /nfs/dbraw/zinc/21/46/17/385214617.db2.gz YZASRRKGMXFEGR-VIFPVBQESA-N 2 2 237.303 0.657 20 0 BCADLP C1CC1[N@@H+]1CC[C@H]([NH2+]C2CCOCC2)C1 ZINC000044685918 385219622 /nfs/dbraw/zinc/21/96/22/385219622.db2.gz UMZAJGVOXMZPSN-NSHDSACASA-N 2 2 210.321 0.992 20 0 BCADLP C1CC1[N@H+]1CC[C@H]([NH2+]C2CCOCC2)C1 ZINC000044685918 385219627 /nfs/dbraw/zinc/21/96/27/385219627.db2.gz UMZAJGVOXMZPSN-NSHDSACASA-N 2 2 210.321 0.992 20 0 BCADLP C[C@@H](O)[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000166115258 385222939 /nfs/dbraw/zinc/22/29/39/385222939.db2.gz RMTGWDCEFRSMEY-VXGBXAGGSA-N 2 2 223.320 0.976 20 0 BCADLP C[C@@H](O)[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000166115258 385222943 /nfs/dbraw/zinc/22/29/43/385222943.db2.gz RMTGWDCEFRSMEY-VXGBXAGGSA-N 2 2 223.320 0.976 20 0 BCADLP Cc1cncc(C[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000308882714 385235335 /nfs/dbraw/zinc/23/53/35/385235335.db2.gz UWEFNJSXLUNGOF-LLVKDONJSA-N 2 2 209.293 0.141 20 0 BCADLP Cc1cncc(C[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000308882714 385235342 /nfs/dbraw/zinc/23/53/42/385235342.db2.gz UWEFNJSXLUNGOF-LLVKDONJSA-N 2 2 209.293 0.141 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC000647493503 385316156 /nfs/dbraw/zinc/31/61/56/385316156.db2.gz YLDNKHJHMSXELC-LLVKDONJSA-N 2 2 222.336 0.770 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC000647493503 385316159 /nfs/dbraw/zinc/31/61/59/385316159.db2.gz YLDNKHJHMSXELC-LLVKDONJSA-N 2 2 222.336 0.770 20 0 BCADLP C[C@@H](CC(=O)N(C)C)[NH2+][C@@H](C)C[NH+](C)C ZINC000308968307 385320373 /nfs/dbraw/zinc/32/03/73/385320373.db2.gz XKNUKOWFEORKMY-UWVGGRQHSA-N 2 2 215.341 0.393 20 0 BCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000558033434 385287052 /nfs/dbraw/zinc/28/70/52/385287052.db2.gz OCWGRVFZYYAXCP-CYBMUJFWSA-N 2 2 248.330 0.437 20 0 BCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000558033434 385287056 /nfs/dbraw/zinc/28/70/56/385287056.db2.gz OCWGRVFZYYAXCP-CYBMUJFWSA-N 2 2 248.330 0.437 20 0 BCADLP COC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)C1CC1 ZINC000308928483 385290501 /nfs/dbraw/zinc/29/05/01/385290501.db2.gz IYEYFGUVBNCFDD-WCQGTBRESA-N 2 2 212.337 0.951 20 0 BCADLP COC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)C1CC1 ZINC000308928483 385290505 /nfs/dbraw/zinc/29/05/05/385290505.db2.gz IYEYFGUVBNCFDD-WCQGTBRESA-N 2 2 212.337 0.951 20 0 BCADLP C[N@H+]1C[C@H]2CCN(Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000644733730 385353706 /nfs/dbraw/zinc/35/37/06/385353706.db2.gz LHLXMPGXAYPOBS-MWLCHTKSSA-N 2 2 206.293 0.546 20 0 BCADLP C[C@@H]([NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000165238266 385367067 /nfs/dbraw/zinc/36/70/67/385367067.db2.gz PUOUFEOEOPKLJD-SECBINFHSA-N 2 2 222.292 0.347 20 0 BCADLP C[NH+](C)CC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000309030899 385379771 /nfs/dbraw/zinc/37/97/71/385379771.db2.gz DQFSTUQOWVODCV-SECBINFHSA-N 2 2 213.325 0.195 20 0 BCADLP Nc1ccc(NC(=O)C[C@H]2CC[NH2+]C2)c[nH+]1 ZINC000189904375 385325093 /nfs/dbraw/zinc/32/50/93/385325093.db2.gz LRPCHHLYYGEWGU-MRVPVSSYSA-N 2 2 220.276 0.602 20 0 BCADLP Cc1cc(N2CCC[C@H]3C[NH2+]C[C@H]32)nc[nH+]1 ZINC000299998329 385393371 /nfs/dbraw/zinc/39/33/71/385393371.db2.gz QWFIVPLEQQPNMS-WDEREUQCSA-N 2 2 218.304 0.973 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)C(N)=O ZINC000309090512 385412112 /nfs/dbraw/zinc/41/21/12/385412112.db2.gz BAHKZXJMUYOPEG-BDAKNGLRSA-N 2 2 213.325 0.038 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)C(N)=O ZINC000309090512 385412114 /nfs/dbraw/zinc/41/21/14/385412114.db2.gz BAHKZXJMUYOPEG-BDAKNGLRSA-N 2 2 213.325 0.038 20 0 BCADLP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)C(N)=O ZINC000336766480 385443926 /nfs/dbraw/zinc/44/39/26/385443926.db2.gz RPAXLYPNUOMLPO-JTQLQIEISA-N 2 2 213.325 0.324 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+](C)Cc1cccnc1)C1CC1 ZINC000289428475 385445037 /nfs/dbraw/zinc/44/50/37/385445037.db2.gz XIHHHFPRBXRSGP-CQSZACIVSA-N 2 2 249.358 0.969 20 0 BCADLP C[NH+](Cc1cccnc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289428475 385445039 /nfs/dbraw/zinc/44/50/39/385445039.db2.gz XIHHHFPRBXRSGP-CQSZACIVSA-N 2 2 249.358 0.969 20 0 BCADLP C[NH+](Cc1cccnc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289428475 385445042 /nfs/dbraw/zinc/44/50/42/385445042.db2.gz XIHHHFPRBXRSGP-CQSZACIVSA-N 2 2 249.358 0.969 20 0 BCADLP COCC[C@H](CO)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000336715055 385429509 /nfs/dbraw/zinc/42/95/09/385429509.db2.gz SLWWBPTZUZAWAM-UTUOFQBUSA-N 2 2 242.363 0.599 20 0 BCADLP COCC[C@H](CO)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000336715055 385429514 /nfs/dbraw/zinc/42/95/14/385429514.db2.gz SLWWBPTZUZAWAM-UTUOFQBUSA-N 2 2 242.363 0.599 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156537588 385457357 /nfs/dbraw/zinc/45/73/57/385457357.db2.gz CLUIEMGUIOHGCJ-VWYCJHECSA-N 2 2 236.319 0.640 20 0 BCADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156537588 385457366 /nfs/dbraw/zinc/45/73/66/385457366.db2.gz CLUIEMGUIOHGCJ-VWYCJHECSA-N 2 2 236.319 0.640 20 0 BCADLP C[C@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000195145880 385460294 /nfs/dbraw/zinc/46/02/94/385460294.db2.gz DDGQHDUBVYXXNA-JTQLQIEISA-N 2 2 248.330 0.645 20 0 BCADLP CCC1(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)COC1 ZINC000309241483 385496449 /nfs/dbraw/zinc/49/64/49/385496449.db2.gz YKMCSBDEKALMLV-QWRGUYRKSA-N 2 2 212.337 0.953 20 0 BCADLP CCC1(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)COC1 ZINC000309241483 385496456 /nfs/dbraw/zinc/49/64/56/385496456.db2.gz YKMCSBDEKALMLV-QWRGUYRKSA-N 2 2 212.337 0.953 20 0 BCADLP C[N@@H+]1CCN(c2cc3c(nn2)CCC3)[C@H](C[NH3+])C1 ZINC000643016879 385514591 /nfs/dbraw/zinc/51/45/91/385514591.db2.gz XFKIOASZKINKLZ-LLVKDONJSA-N 2 2 247.346 0.044 20 0 BCADLP C[N@H+]1CCN(c2cc3c(nn2)CCC3)[C@H](C[NH3+])C1 ZINC000643016879 385514593 /nfs/dbraw/zinc/51/45/93/385514593.db2.gz XFKIOASZKINKLZ-LLVKDONJSA-N 2 2 247.346 0.044 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@H]([NH3+])CCC(C)C)CC1 ZINC000257706548 385489830 /nfs/dbraw/zinc/48/98/30/385489830.db2.gz QCJMHIKCPOMUSN-GFCCVEGCSA-N 2 2 241.379 0.914 20 0 BCADLP CC[N@@H+]1CC[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493297430 385560037 /nfs/dbraw/zinc/56/00/37/385560037.db2.gz DJAYQKRHNXNUDI-PGLGOXFNSA-N 2 2 234.303 0.633 20 0 BCADLP CC[N@H+]1CC[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493297430 385560040 /nfs/dbraw/zinc/56/00/40/385560040.db2.gz DJAYQKRHNXNUDI-PGLGOXFNSA-N 2 2 234.303 0.633 20 0 BCADLP CCOC[C@@H](O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181099363 385563887 /nfs/dbraw/zinc/56/38/87/385563887.db2.gz FFKPSVGRDUBLBX-LBPRGKRZSA-N 2 2 241.335 0.602 20 0 BCADLP CCOC[C@@H](O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181099363 385563890 /nfs/dbraw/zinc/56/38/90/385563890.db2.gz FFKPSVGRDUBLBX-LBPRGKRZSA-N 2 2 241.335 0.602 20 0 BCADLP CCCCNC(=O)[C@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107577189 385572235 /nfs/dbraw/zinc/57/22/35/385572235.db2.gz MBTWWJCYXYPKQI-QJPTWQEYSA-N 2 2 239.363 0.442 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280779231 385603009 /nfs/dbraw/zinc/60/30/09/385603009.db2.gz IDQMDKAMDWMKMM-MFKMUULPSA-N 2 2 248.330 0.724 20 0 BCADLP CC[C@](C)(O)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336650464 385604878 /nfs/dbraw/zinc/60/48/78/385604878.db2.gz IQHFAFCQEUGRMY-DCAQKATOSA-N 2 2 200.326 0.687 20 0 BCADLP CC[C@](C)(O)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336650464 385604883 /nfs/dbraw/zinc/60/48/83/385604883.db2.gz IQHFAFCQEUGRMY-DCAQKATOSA-N 2 2 200.326 0.687 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N[C@H]1CC[NH2+]C1 ZINC000493576118 385584197 /nfs/dbraw/zinc/58/41/97/385584197.db2.gz DFZIVFPISJLWOQ-XOULXFPDSA-N 2 2 234.303 0.394 20 0 BCADLP C[C@H](O)CC[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309451656 385585067 /nfs/dbraw/zinc/58/50/67/385585067.db2.gz QAHTXLCNFQBPTK-JQWIXIFHSA-N 2 2 230.352 0.144 20 0 BCADLP C[C@H](O)CC[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309451656 385585069 /nfs/dbraw/zinc/58/50/69/385585069.db2.gz QAHTXLCNFQBPTK-JQWIXIFHSA-N 2 2 230.352 0.144 20 0 BCADLP C[C@H](O)CC[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000309451656 385585070 /nfs/dbraw/zinc/58/50/70/385585070.db2.gz QAHTXLCNFQBPTK-JQWIXIFHSA-N 2 2 230.352 0.144 20 0 BCADLP C[C@H](O)CC[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309451656 385585072 /nfs/dbraw/zinc/58/50/72/385585072.db2.gz QAHTXLCNFQBPTK-JQWIXIFHSA-N 2 2 230.352 0.144 20 0 BCADLP C[C@@]1(C(N)=O)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000280812482 385608378 /nfs/dbraw/zinc/60/83/78/385608378.db2.gz UBLSJLHWHGBRDB-LLVKDONJSA-N 2 2 222.292 0.080 20 0 BCADLP C[C@@]1(C(N)=O)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000280812482 385608382 /nfs/dbraw/zinc/60/83/82/385608382.db2.gz UBLSJLHWHGBRDB-LLVKDONJSA-N 2 2 222.292 0.080 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000229588499 385637785 /nfs/dbraw/zinc/63/77/85/385637785.db2.gz SGAIURSUKBYUGT-QWRGUYRKSA-N 2 2 236.319 0.530 20 0 BCADLP C[C@@H](C[NH2+]C1CC[NH+](C)CC1)C[NH+](C)C ZINC000336685216 385683921 /nfs/dbraw/zinc/68/39/21/385683921.db2.gz KPGUCINXASEHKU-NSHDSACASA-N 3 2 213.369 0.868 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000309575285 385708675 /nfs/dbraw/zinc/70/86/75/385708675.db2.gz OSPUGUOCVNFMEU-TUAOUCFPSA-N 2 2 222.336 0.811 20 0 BCADLP C[C@H](CC[NH3+])NC(=O)CCn1cc[nH+]c1 ZINC000336688373 385708752 /nfs/dbraw/zinc/70/87/52/385708752.db2.gz LOBPOYMZDFDMLA-SECBINFHSA-N 2 2 210.281 0.127 20 0 BCADLP COC[C@@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000270491008 385712286 /nfs/dbraw/zinc/71/22/86/385712286.db2.gz GJLJTAOOVDKBDK-LLVKDONJSA-N 2 2 238.335 0.577 20 0 BCADLP COC[C@](C)(CCO)[NH2+]CCCn1cc[nH+]c1 ZINC000183185553 385740171 /nfs/dbraw/zinc/74/01/71/385740171.db2.gz FPELBKBHOAUFDJ-LBPRGKRZSA-N 2 2 241.335 0.650 20 0 BCADLP C[NH+](C)C1CN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000270855298 385753764 /nfs/dbraw/zinc/75/37/64/385753764.db2.gz ROQQIYCFYZDIIR-UHFFFAOYSA-N 2 2 244.298 0.720 20 0 BCADLP CCn1nccc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414863326 385758282 /nfs/dbraw/zinc/75/82/82/385758282.db2.gz IKCAALYBZISTQK-SNVBAGLBSA-N 2 2 208.309 0.745 20 0 BCADLP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414863874 385760609 /nfs/dbraw/zinc/76/06/09/385760609.db2.gz JKXKWTFNKRIZPJ-IJLUTSLNSA-N 3 2 211.353 0.859 20 0 BCADLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414863872 385762158 /nfs/dbraw/zinc/76/21/58/385762158.db2.gz JKXKWTFNKRIZPJ-GRYCIOLGSA-N 3 2 211.353 0.859 20 0 BCADLP COC(=O)[C@@]1(F)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000270946055 385762799 /nfs/dbraw/zinc/76/27/99/385762799.db2.gz ZJTIVELLOTTWKC-LLVKDONJSA-N 2 2 241.266 0.470 20 0 BCADLP COC(=O)[C@@]1(F)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000270946055 385762801 /nfs/dbraw/zinc/76/28/01/385762801.db2.gz ZJTIVELLOTTWKC-LLVKDONJSA-N 2 2 241.266 0.470 20 0 BCADLP C[C@H](C[N@@H+]1CC[C@@](C)(C[NH3+])C1)CS(C)(=O)=O ZINC000337761553 385771215 /nfs/dbraw/zinc/77/12/15/385771215.db2.gz PJLBAYPIGYYCIO-MNOVXSKESA-N 2 2 248.392 0.338 20 0 BCADLP C[C@H](C[N@H+]1CC[C@@](C)(C[NH3+])C1)CS(C)(=O)=O ZINC000337761553 385771218 /nfs/dbraw/zinc/77/12/18/385771218.db2.gz PJLBAYPIGYYCIO-MNOVXSKESA-N 2 2 248.392 0.338 20 0 BCADLP C[C@H](C[N@@H+]1CC[C@](C)(C[NH3+])C1)CS(C)(=O)=O ZINC000337761549 385772148 /nfs/dbraw/zinc/77/21/48/385772148.db2.gz PJLBAYPIGYYCIO-GHMZBOCLSA-N 2 2 248.392 0.338 20 0 BCADLP C[C@H](C[N@H+]1CC[C@](C)(C[NH3+])C1)CS(C)(=O)=O ZINC000337761549 385772150 /nfs/dbraw/zinc/77/21/50/385772150.db2.gz PJLBAYPIGYYCIO-GHMZBOCLSA-N 2 2 248.392 0.338 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)COCC(=O)OC)C1 ZINC000414558789 385774994 /nfs/dbraw/zinc/77/49/94/385774994.db2.gz ZOXBBIYOZIEQPZ-GHMZBOCLSA-N 2 2 244.335 0.248 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)COCC(=O)OC)C1 ZINC000414558789 385775001 /nfs/dbraw/zinc/77/50/01/385775001.db2.gz ZOXBBIYOZIEQPZ-GHMZBOCLSA-N 2 2 244.335 0.248 20 0 BCADLP Cn1nncc1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414856939 385721971 /nfs/dbraw/zinc/72/19/71/385721971.db2.gz ZSQGYDQCMOSKSW-GFCCVEGCSA-N 2 2 237.351 0.812 20 0 BCADLP C[C@@H]1C(=O)N(C)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000186947350 385817245 /nfs/dbraw/zinc/81/72/45/385817245.db2.gz CGCRCFVDJFPAER-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP C[C@@H]1C(=O)N(C)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000186947350 385817248 /nfs/dbraw/zinc/81/72/48/385817248.db2.gz CGCRCFVDJFPAER-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP COC(=O)c1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)[nH]1 ZINC000414868530 385823706 /nfs/dbraw/zinc/82/37/06/385823706.db2.gz QBCPDOOWLLNDEJ-SECBINFHSA-N 2 2 237.303 0.643 20 0 BCADLP C[C@H]([NH3+])CC(=O)NCCCNc1cccc[nH+]1 ZINC000340183992 385828423 /nfs/dbraw/zinc/82/84/23/385828423.db2.gz OGABBJGAYLGVFH-JTQLQIEISA-N 2 2 236.319 0.737 20 0 BCADLP COC(=O)[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000095020890 385832430 /nfs/dbraw/zinc/83/24/30/385832430.db2.gz GTGOOAZHSWVVDO-JTQLQIEISA-N 2 2 223.276 0.378 20 0 BCADLP CC[C@](C)([NH2+]CCn1cc[nH+]c1)C(N)=O ZINC000336721105 385892179 /nfs/dbraw/zinc/89/21/79/385892179.db2.gz DIOIXAIDKMFLKA-JTQLQIEISA-N 2 2 210.281 0.127 20 0 BCADLP C[N@H+](CCC[NH3+])CC(=O)NCC1CCCCC1 ZINC000647850183 385900173 /nfs/dbraw/zinc/90/01/73/385900173.db2.gz WZHGTRJOVCUROX-UHFFFAOYSA-N 2 2 241.379 0.964 20 0 BCADLP C[N@@H+](CCC[NH3+])CC(=O)NCC1CCCCC1 ZINC000647850183 385900175 /nfs/dbraw/zinc/90/01/75/385900175.db2.gz WZHGTRJOVCUROX-UHFFFAOYSA-N 2 2 241.379 0.964 20 0 BCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+](C)CCC[NH3+] ZINC000647849594 385901821 /nfs/dbraw/zinc/90/18/21/385901821.db2.gz ZCHLQTXWALKLAJ-SECBINFHSA-N 2 2 237.307 0.084 20 0 BCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+](C)CCC[NH3+] ZINC000647849594 385901823 /nfs/dbraw/zinc/90/18/23/385901823.db2.gz ZCHLQTXWALKLAJ-SECBINFHSA-N 2 2 237.307 0.084 20 0 BCADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CC(=O)NC ZINC000341985052 385913150 /nfs/dbraw/zinc/91/31/50/385913150.db2.gz ZJMHUFIQESWJEC-NWDGAFQWSA-N 2 2 241.379 0.975 20 0 BCADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CC(=O)NC ZINC000341985052 385913154 /nfs/dbraw/zinc/91/31/54/385913154.db2.gz ZJMHUFIQESWJEC-NWDGAFQWSA-N 2 2 241.379 0.975 20 0 BCADLP Cc1noc(CCC[N@@H+]2CCC[C@H]([NH3+])C2)n1 ZINC000647813473 385866119 /nfs/dbraw/zinc/86/61/19/385866119.db2.gz SYPZYWDJEAXATJ-JTQLQIEISA-N 2 2 224.308 0.734 20 0 BCADLP Cc1noc(CCC[N@H+]2CCC[C@H]([NH3+])C2)n1 ZINC000647813473 385866122 /nfs/dbraw/zinc/86/61/22/385866122.db2.gz SYPZYWDJEAXATJ-JTQLQIEISA-N 2 2 224.308 0.734 20 0 BCADLP [NH3+][C@H]1CCC[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000647813489 385866958 /nfs/dbraw/zinc/86/69/58/385866958.db2.gz WBZFYUFQJRFXMZ-NWDGAFQWSA-N 2 2 228.336 0.605 20 0 BCADLP [NH3+][C@H]1CCC[N@@H+](CCOC[C@H]2CCCO2)C1 ZINC000647813489 385866962 /nfs/dbraw/zinc/86/69/62/385866962.db2.gz WBZFYUFQJRFXMZ-NWDGAFQWSA-N 2 2 228.336 0.605 20 0 BCADLP C([C@@H]1CC[NH2+]C1)[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814297 385867848 /nfs/dbraw/zinc/86/78/48/385867848.db2.gz HJIAZKYYDMCWDU-LLVKDONJSA-N 3 2 223.364 0.812 20 0 BCADLP C([C@@H]1CC[NH2+]C1)[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814297 385867851 /nfs/dbraw/zinc/86/78/51/385867851.db2.gz HJIAZKYYDMCWDU-LLVKDONJSA-N 3 2 223.364 0.812 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)CC(C)(CO)CO ZINC000272027832 385869491 /nfs/dbraw/zinc/86/94/91/385869491.db2.gz WAYUARDIKRKOKA-UHFFFAOYSA-N 2 2 241.335 0.196 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)CC(C)(CO)CO ZINC000272027832 385869495 /nfs/dbraw/zinc/86/94/95/385869495.db2.gz WAYUARDIKRKOKA-UHFFFAOYSA-N 2 2 241.335 0.196 20 0 BCADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)NC1CC1 ZINC000647814657 385869518 /nfs/dbraw/zinc/86/95/18/385869518.db2.gz YCDWYSYQDZCOEE-UHFFFAOYSA-N 2 2 237.347 0.481 20 0 BCADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)NC1CC1 ZINC000647814657 385869522 /nfs/dbraw/zinc/86/95/22/385869522.db2.gz YCDWYSYQDZCOEE-UHFFFAOYSA-N 2 2 237.347 0.481 20 0 BCADLP CS(=O)(=O)CC1(C[N@@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000647830413 385872950 /nfs/dbraw/zinc/87/29/50/385872950.db2.gz IKTPUPYDNQPRLN-SNVBAGLBSA-N 2 2 246.376 0.092 20 0 BCADLP CS(=O)(=O)CC1(C[N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000647830413 385872953 /nfs/dbraw/zinc/87/29/53/385872953.db2.gz IKTPUPYDNQPRLN-SNVBAGLBSA-N 2 2 246.376 0.092 20 0 BCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH+](C)C ZINC000338028539 385877113 /nfs/dbraw/zinc/87/71/13/385877113.db2.gz GROJRHMZRSBJJR-JTQLQIEISA-N 2 2 224.308 0.340 20 0 BCADLP CCCNC(=O)[C@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000647926884 385985907 /nfs/dbraw/zinc/98/59/07/385985907.db2.gz QAOAECJOQWHBCR-JTQLQIEISA-N 2 2 227.352 0.714 20 0 BCADLP CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342120436 385931288 /nfs/dbraw/zinc/93/12/88/385931288.db2.gz IBBULINEMXZCEP-ZJUUUORDSA-N 2 2 227.352 0.761 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c[nH+]1 ZINC000335039759 385931538 /nfs/dbraw/zinc/93/15/38/385931538.db2.gz SQTPTVMYOUQHON-NXEZZACHSA-N 2 2 236.319 0.965 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)c[nH+]1 ZINC000335045153 385939216 /nfs/dbraw/zinc/93/92/16/385939216.db2.gz ZIWCSXIDFWIJMK-SNVBAGLBSA-N 2 2 236.319 0.836 20 0 BCADLP CCCCNC(=O)[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342152771 385946579 /nfs/dbraw/zinc/94/65/79/385946579.db2.gz YPTBTLNVHXDFHX-SNVBAGLBSA-N 2 2 227.352 0.762 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCOCC2CC2)CCO1 ZINC000647864717 385969596 /nfs/dbraw/zinc/96/95/96/385969596.db2.gz ZQVLTNWXEQFEHN-JQWIXIFHSA-N 2 2 228.336 0.461 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCOCC2CC2)CCO1 ZINC000647864717 385969603 /nfs/dbraw/zinc/96/96/03/385969603.db2.gz ZQVLTNWXEQFEHN-JQWIXIFHSA-N 2 2 228.336 0.461 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)CCO1 ZINC000647865695 385997622 /nfs/dbraw/zinc/99/76/22/385997622.db2.gz QGSVJOXQUJMTDE-AVGNSLFASA-N 2 2 242.363 0.994 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)CCO1 ZINC000647865695 385997628 /nfs/dbraw/zinc/99/76/28/385997628.db2.gz QGSVJOXQUJMTDE-AVGNSLFASA-N 2 2 242.363 0.994 20 0 BCADLP COC[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000336749408 385997911 /nfs/dbraw/zinc/99/79/11/385997911.db2.gz DHYUYRWPTWVKJJ-ZJUUUORDSA-N 2 2 209.293 0.822 20 0 BCADLP CC[C@H]([NH3+])C[NH2+]Cc1cc(C(=O)OC)co1 ZINC000414974854 386003393 /nfs/dbraw/zinc/00/33/93/386003393.db2.gz FCXPGPRUZGEGDK-VIFPVBQESA-N 2 2 226.276 0.893 20 0 BCADLP CC[C@@H]([NH3+])C[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000414974407 386008149 /nfs/dbraw/zinc/00/81/49/386008149.db2.gz DKJJUEXKVBDPEJ-SECBINFHSA-N 2 2 225.292 0.628 20 0 BCADLP Cc1nc(NC[C@H](C)C[NH+](C)C)nc(N)[nH+]1 ZINC000309734647 386025241 /nfs/dbraw/zinc/02/52/41/386025241.db2.gz GCCAQVMJYRDFOF-ZETCQYMHSA-N 2 2 224.312 0.372 20 0 BCADLP Cc1nc(N)nc(NC[C@H](C)C[NH+](C)C)[nH+]1 ZINC000309734647 386025247 /nfs/dbraw/zinc/02/52/47/386025247.db2.gz GCCAQVMJYRDFOF-ZETCQYMHSA-N 2 2 224.312 0.372 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000336771339 386036226 /nfs/dbraw/zinc/03/62/26/386036226.db2.gz WQLHFDRWIMZNAT-SDDRHHMPSA-N 2 2 214.353 0.935 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000336771339 386036235 /nfs/dbraw/zinc/03/62/35/386036235.db2.gz WQLHFDRWIMZNAT-SDDRHHMPSA-N 2 2 214.353 0.935 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nncn2C)[C@H](C)C1 ZINC000345170306 386036395 /nfs/dbraw/zinc/03/63/95/386036395.db2.gz QVIQVHNWXRUJHY-GHMZBOCLSA-N 2 2 237.351 0.635 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2nncn2C)[C@H](C)C1 ZINC000345170306 386036400 /nfs/dbraw/zinc/03/64/00/386036400.db2.gz QVIQVHNWXRUJHY-GHMZBOCLSA-N 2 2 237.351 0.635 20 0 BCADLP CCCCNC(=O)CC[N@H+](C)[C@@H](C)C[NH3+] ZINC000336749653 385996967 /nfs/dbraw/zinc/99/69/67/385996967.db2.gz UIVJFDWIVWKZHY-JTQLQIEISA-N 2 2 215.341 0.572 20 0 BCADLP CCCCNC(=O)CC[N@@H+](C)[C@@H](C)C[NH3+] ZINC000336749653 385996973 /nfs/dbraw/zinc/99/69/73/385996973.db2.gz UIVJFDWIVWKZHY-JTQLQIEISA-N 2 2 215.341 0.572 20 0 BCADLP O=C1CC[C@H]2C[N@H+](CCn3cc[nH+]c3)CCN12 ZINC000334455897 386107589 /nfs/dbraw/zinc/10/75/89/386107589.db2.gz XBRZBVMVECZIOW-NSHDSACASA-N 2 2 234.303 0.190 20 0 BCADLP O=C1CC[C@H]2C[N@@H+](CCn3cc[nH+]c3)CCN12 ZINC000334455897 386107594 /nfs/dbraw/zinc/10/75/94/386107594.db2.gz XBRZBVMVECZIOW-NSHDSACASA-N 2 2 234.303 0.190 20 0 BCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000345833914 386120557 /nfs/dbraw/zinc/12/05/57/386120557.db2.gz BHBNKNUMALVGDF-WYUUTHIRSA-N 2 2 239.363 0.441 20 0 BCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000345833914 386120558 /nfs/dbraw/zinc/12/05/58/386120558.db2.gz BHBNKNUMALVGDF-WYUUTHIRSA-N 2 2 239.363 0.441 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)CC1(O)CCOCC1 ZINC000162274243 386060808 /nfs/dbraw/zinc/06/08/08/386060808.db2.gz CTEYTXCCAHHREA-UHFFFAOYSA-N 2 2 239.319 0.356 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)CC1(O)CCOCC1 ZINC000162274243 386060812 /nfs/dbraw/zinc/06/08/12/386060812.db2.gz CTEYTXCCAHHREA-UHFFFAOYSA-N 2 2 239.319 0.356 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000415378572 386068608 /nfs/dbraw/zinc/06/86/08/386068608.db2.gz CLDOZIGNVCPMNO-LLVKDONJSA-N 2 2 234.303 0.671 20 0 BCADLP C[NH2+]CCCNC(=O)Nc1cc[nH+]cc1C ZINC000415384557 386071056 /nfs/dbraw/zinc/07/10/56/386071056.db2.gz NDZNNDFKABFKMZ-UHFFFAOYSA-N 2 2 222.292 0.543 20 0 BCADLP Cc1cc(NC(=O)NC[C@@H]([NH3+])C(C)C)cc[nH+]1 ZINC000415392572 386072645 /nfs/dbraw/zinc/07/26/45/386072645.db2.gz JAPSCAPFGXPSSI-LLVKDONJSA-N 2 2 236.319 0.917 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414672910 386144785 /nfs/dbraw/zinc/14/47/85/386144785.db2.gz OHKSNQGBVCZGCL-NEPJUHHUSA-N 3 2 213.369 0.901 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414672910 386144789 /nfs/dbraw/zinc/14/47/89/386144789.db2.gz OHKSNQGBVCZGCL-NEPJUHHUSA-N 3 2 213.369 0.901 20 0 BCADLP CC(=O)N1CCC[N@@H+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000414673481 386147063 /nfs/dbraw/zinc/14/70/63/386147063.db2.gz CILZZBIPRMOWJG-CYBMUJFWSA-N 2 2 241.379 0.914 20 0 BCADLP CC(=O)N1CCC[N@H+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000414673481 386147069 /nfs/dbraw/zinc/14/70/69/386147069.db2.gz CILZZBIPRMOWJG-CYBMUJFWSA-N 2 2 241.379 0.914 20 0 BCADLP Cn1nnc2cc(C[N@@H+]3CCC[C@@H]([NH3+])C3)ccc21 ZINC000346084445 386157327 /nfs/dbraw/zinc/15/73/27/386157327.db2.gz GPGIBCCYDNQWOH-LLVKDONJSA-N 2 2 245.330 0.891 20 0 BCADLP Cn1nnc2cc(C[N@H+]3CCC[C@@H]([NH3+])C3)ccc21 ZINC000346084445 386157331 /nfs/dbraw/zinc/15/73/31/386157331.db2.gz GPGIBCCYDNQWOH-LLVKDONJSA-N 2 2 245.330 0.891 20 0 BCADLP CCC[NH+]1CCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000310253053 386165632 /nfs/dbraw/zinc/16/56/32/386165632.db2.gz ONNGWXXFPVNMNW-UHFFFAOYSA-N 2 2 236.323 0.294 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000164632031 386168695 /nfs/dbraw/zinc/16/86/95/386168695.db2.gz GZYFVPINCCNVSB-ZYHUDNBSSA-N 2 2 223.320 0.894 20 0 BCADLP CC[NH+](CC)C[C@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000310231775 386169164 /nfs/dbraw/zinc/16/91/64/386169164.db2.gz JSMXZFAUWLNHSD-QMMMGPOBSA-N 2 2 238.339 0.904 20 0 BCADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000414687341 386170631 /nfs/dbraw/zinc/17/06/31/386170631.db2.gz CMQKHGQWKBJJEM-GFCCVEGCSA-N 2 2 244.379 0.848 20 0 BCADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H](OCCO)C1 ZINC000414687341 386170633 /nfs/dbraw/zinc/17/06/33/386170633.db2.gz CMQKHGQWKBJJEM-GFCCVEGCSA-N 2 2 244.379 0.848 20 0 BCADLP COCC[N@H+](C)CC[NH2+]CC1(COC)CCC1 ZINC000310415013 386182617 /nfs/dbraw/zinc/18/26/17/386182617.db2.gz MYBCSFMBJNWQAN-UHFFFAOYSA-N 2 2 244.379 0.971 20 0 BCADLP COCC[N@@H+](C)CC[NH2+]CC1(COC)CCC1 ZINC000310415013 386182622 /nfs/dbraw/zinc/18/26/22/386182622.db2.gz MYBCSFMBJNWQAN-UHFFFAOYSA-N 2 2 244.379 0.971 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+](CC(N)=O)CC(C)C ZINC000414692298 386183449 /nfs/dbraw/zinc/18/34/49/386183449.db2.gz ARLYAUJDMBCHMA-NSHDSACASA-N 2 2 229.368 0.803 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+](CC(N)=O)CC(C)C ZINC000414692298 386183452 /nfs/dbraw/zinc/18/34/52/386183452.db2.gz ARLYAUJDMBCHMA-NSHDSACASA-N 2 2 229.368 0.803 20 0 BCADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1COC[C@@H]1O ZINC000340277051 386188881 /nfs/dbraw/zinc/18/88/81/386188881.db2.gz KIDZOAKRHAGKGD-AGIUHOORSA-N 2 2 242.363 0.552 20 0 BCADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1COC[C@@H]1O ZINC000340277051 386188888 /nfs/dbraw/zinc/18/88/88/386188888.db2.gz KIDZOAKRHAGKGD-AGIUHOORSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@H]1COC[C@@H]1O ZINC000340277051 386188893 /nfs/dbraw/zinc/18/88/93/386188893.db2.gz KIDZOAKRHAGKGD-AGIUHOORSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@H]1COC[C@@H]1O ZINC000340277051 386188900 /nfs/dbraw/zinc/18/89/00/386188900.db2.gz KIDZOAKRHAGKGD-AGIUHOORSA-N 2 2 242.363 0.552 20 0 BCADLP CC[NH+]1CCC(Nc2nc(C)[nH+]c(N)n2)CC1 ZINC000310130258 386130107 /nfs/dbraw/zinc/13/01/07/386130107.db2.gz YPMBQKNWCBJYTH-UHFFFAOYSA-N 2 2 236.323 0.658 20 0 BCADLP CC[NH+]1CCC(Nc2nc(N)nc(C)[nH+]2)CC1 ZINC000310130258 386130114 /nfs/dbraw/zinc/13/01/14/386130114.db2.gz YPMBQKNWCBJYTH-UHFFFAOYSA-N 2 2 236.323 0.658 20 0 BCADLP [NH3+]CCOCC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000647880911 386202064 /nfs/dbraw/zinc/20/20/64/386202064.db2.gz BAEXCIHEGHKDFK-NSHDSACASA-N 2 2 238.335 0.564 20 0 BCADLP [NH3+]CCOCC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000647880911 386202068 /nfs/dbraw/zinc/20/20/68/386202068.db2.gz BAEXCIHEGHKDFK-NSHDSACASA-N 2 2 238.335 0.564 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+](C)CCNC(=O)N(C)C ZINC000414703251 386209848 /nfs/dbraw/zinc/20/98/48/386209848.db2.gz IQKWCNYHCABLJG-NSHDSACASA-N 2 2 244.383 0.563 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)CCNC(=O)N(C)C ZINC000414703251 386209853 /nfs/dbraw/zinc/20/98/53/386209853.db2.gz IQKWCNYHCABLJG-NSHDSACASA-N 2 2 244.383 0.563 20 0 BCADLP COC(=O)[C@H]1CC[N@H+](CCn2cc[nH+]c2)[C@H]1C ZINC000347147804 386260029 /nfs/dbraw/zinc/26/00/29/386260029.db2.gz YNMTVFXZMOPZDB-QWRGUYRKSA-N 2 2 237.303 0.767 20 0 BCADLP COC(=O)[C@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@H]1C ZINC000347147804 386260033 /nfs/dbraw/zinc/26/00/33/386260033.db2.gz YNMTVFXZMOPZDB-QWRGUYRKSA-N 2 2 237.303 0.767 20 0 BCADLP CCC[N@H+](Cc1cnnn1C)C1CC[NH2+]CC1 ZINC000347031283 386222770 /nfs/dbraw/zinc/22/27/70/386222770.db2.gz YQRXEQDQDQNQKK-UHFFFAOYSA-N 2 2 237.351 0.779 20 0 BCADLP CCC[N@@H+](Cc1cnnn1C)C1CC[NH2+]CC1 ZINC000347031283 386222773 /nfs/dbraw/zinc/22/27/73/386222773.db2.gz YQRXEQDQDQNQKK-UHFFFAOYSA-N 2 2 237.351 0.779 20 0 BCADLP CNC(=O)[C@H]1CCC[N@@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414714240 386234033 /nfs/dbraw/zinc/23/40/33/386234033.db2.gz WONBMFJCIGYLJW-WDEREUQCSA-N 2 2 227.352 0.570 20 0 BCADLP CNC(=O)[C@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414714240 386234036 /nfs/dbraw/zinc/23/40/36/386234036.db2.gz WONBMFJCIGYLJW-WDEREUQCSA-N 2 2 227.352 0.570 20 0 BCADLP CNC(=O)CCC[N@H+](C)CC[NH2+]C(C)(C)C ZINC000414715615 386235892 /nfs/dbraw/zinc/23/58/92/386235892.db2.gz YWHIMEIXUXCIAA-UHFFFAOYSA-N 2 2 229.368 0.833 20 0 BCADLP CNC(=O)CCC[N@@H+](C)CC[NH2+]C(C)(C)C ZINC000414715615 386235896 /nfs/dbraw/zinc/23/58/96/386235896.db2.gz YWHIMEIXUXCIAA-UHFFFAOYSA-N 2 2 229.368 0.833 20 0 BCADLP COC(=O)C[N@H+](CCC[NH3+])C1CCCC1 ZINC000414716210 386239026 /nfs/dbraw/zinc/23/90/26/386239026.db2.gz ZOMPJLAOILMDQO-UHFFFAOYSA-N 2 2 214.309 0.753 20 0 BCADLP COC(=O)C[N@@H+](CCC[NH3+])C1CCCC1 ZINC000414716210 386239028 /nfs/dbraw/zinc/23/90/28/386239028.db2.gz ZOMPJLAOILMDQO-UHFFFAOYSA-N 2 2 214.309 0.753 20 0 BCADLP Cc1cnc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000347090328 386243925 /nfs/dbraw/zinc/24/39/25/386243925.db2.gz FBDFYCOIWSJKPX-NSHDSACASA-N 2 2 220.320 0.956 20 0 BCADLP Cc1cnc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000347090328 386243932 /nfs/dbraw/zinc/24/39/32/386243932.db2.gz FBDFYCOIWSJKPX-NSHDSACASA-N 2 2 220.320 0.956 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2nc[nH]c2C1 ZINC000647932415 386247362 /nfs/dbraw/zinc/24/73/62/386247362.db2.gz AAQSEKPKFPIYQZ-UHFFFAOYSA-N 2 2 231.303 0.973 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCc2nc[nH]c2C1 ZINC000647932415 386247367 /nfs/dbraw/zinc/24/73/67/386247367.db2.gz AAQSEKPKFPIYQZ-UHFFFAOYSA-N 2 2 231.303 0.973 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000647932415 386247370 /nfs/dbraw/zinc/24/73/70/386247370.db2.gz AAQSEKPKFPIYQZ-UHFFFAOYSA-N 3 2 231.303 0.973 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000647932415 386247373 /nfs/dbraw/zinc/24/73/73/386247373.db2.gz AAQSEKPKFPIYQZ-UHFFFAOYSA-N 3 2 231.303 0.973 20 0 BCADLP CCc1noc(C[N@H+](C)CCOCC[NH3+])n1 ZINC000647884076 386252026 /nfs/dbraw/zinc/25/20/26/386252026.db2.gz CYRZOXFPEKJGFF-UHFFFAOYSA-N 2 2 228.296 0.039 20 0 BCADLP CCc1noc(C[N@@H+](C)CCOCC[NH3+])n1 ZINC000647884076 386252031 /nfs/dbraw/zinc/25/20/31/386252031.db2.gz CYRZOXFPEKJGFF-UHFFFAOYSA-N 2 2 228.296 0.039 20 0 BCADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cn[nH]c1 ZINC000275248774 386195774 /nfs/dbraw/zinc/19/57/74/386195774.db2.gz YERUHSUZDMZNHM-JQWIXIFHSA-N 2 2 238.335 0.517 20 0 BCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cn[nH]c1 ZINC000275248771 386196659 /nfs/dbraw/zinc/19/66/59/386196659.db2.gz YERUHSUZDMZNHM-CMPLNLGQSA-N 2 2 238.335 0.517 20 0 BCADLP COC[C@H](O)C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000338995323 386198881 /nfs/dbraw/zinc/19/88/81/386198881.db2.gz GNLHBKBZRFPBBB-CYBMUJFWSA-N 2 2 238.331 0.920 20 0 BCADLP CC[N@@H+]1CCN(C(=O)C[NH+](C)C)[C@@H](C)C1 ZINC000334480321 386293556 /nfs/dbraw/zinc/29/35/56/386293556.db2.gz UXTCYWUKKNRCTA-JTQLQIEISA-N 2 2 213.325 0.101 20 0 BCADLP CC[N@H+]1CCN(C(=O)C[NH+](C)C)[C@@H](C)C1 ZINC000334480321 386293562 /nfs/dbraw/zinc/29/35/62/386293562.db2.gz UXTCYWUKKNRCTA-JTQLQIEISA-N 2 2 213.325 0.101 20 0 BCADLP Cn1cc(C[N@H+](C)CCc2c[nH+]cn2C)cn1 ZINC000289411330 386297786 /nfs/dbraw/zinc/29/77/86/386297786.db2.gz TVFBNQONQNJKIC-UHFFFAOYSA-N 2 2 233.319 0.828 20 0 BCADLP Cn1cc(C[N@@H+](C)CCc2c[nH+]cn2C)cn1 ZINC000289411330 386297796 /nfs/dbraw/zinc/29/77/96/386297796.db2.gz TVFBNQONQNJKIC-UHFFFAOYSA-N 2 2 233.319 0.828 20 0 BCADLP [NH3+]CCOCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000647886819 386307180 /nfs/dbraw/zinc/30/71/80/386307180.db2.gz YTZJSLZFACZCCH-MRVPVSSYSA-N 2 2 242.241 0.225 20 0 BCADLP [NH3+]CCOCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000647886819 386307184 /nfs/dbraw/zinc/30/71/84/386307184.db2.gz YTZJSLZFACZCCH-MRVPVSSYSA-N 2 2 242.241 0.225 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000414739074 386322244 /nfs/dbraw/zinc/32/22/44/386322244.db2.gz JVTAPCWUTRLYJY-QWRGUYRKSA-N 2 2 212.337 0.817 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000414739074 386322249 /nfs/dbraw/zinc/32/22/49/386322249.db2.gz JVTAPCWUTRLYJY-QWRGUYRKSA-N 2 2 212.337 0.817 20 0 BCADLP CC(C)C[C@H]([NH3+])C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000414740845 386322916 /nfs/dbraw/zinc/32/29/16/386322916.db2.gz LSDSAVAZUWIYMO-OUAUKWLOSA-N 2 2 227.352 0.474 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@H](C)[NH+](C)C)c[nH+]1 ZINC000264871174 386277416 /nfs/dbraw/zinc/27/74/16/386277416.db2.gz RDPYVJMYBHFPKD-ZETCQYMHSA-N 2 2 210.281 0.398 20 0 BCADLP COC[C@H]1CC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000339290048 386340896 /nfs/dbraw/zinc/34/08/96/386340896.db2.gz HSVKYEVIHCUWRB-NEPJUHHUSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@H]1CC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000339290048 386340910 /nfs/dbraw/zinc/34/09/10/386340910.db2.gz HSVKYEVIHCUWRB-NEPJUHHUSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@H]1CC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000339290048 386340915 /nfs/dbraw/zinc/34/09/15/386340915.db2.gz HSVKYEVIHCUWRB-NEPJUHHUSA-N 2 2 228.336 0.162 20 0 BCADLP CC(C)(C)[NH2+]CC[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000414746307 386343202 /nfs/dbraw/zinc/34/32/02/386343202.db2.gz SENAVONDPLWPCI-SNVBAGLBSA-N 2 2 212.337 0.831 20 0 BCADLP CC(C)(C)[NH2+]CC[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000414746307 386343205 /nfs/dbraw/zinc/34/32/05/386343205.db2.gz SENAVONDPLWPCI-SNVBAGLBSA-N 2 2 212.337 0.831 20 0 BCADLP c1[nH]c2c([nH+]1)CC[N@@H+](C[C@H]1CCOC1)C2 ZINC000647933444 386361553 /nfs/dbraw/zinc/36/15/53/386361553.db2.gz OCXPTOQDJOXODI-SECBINFHSA-N 2 2 207.277 0.804 20 0 BCADLP c1[nH]c2c([nH+]1)CC[N@H+](C[C@H]1CCOC1)C2 ZINC000647933444 386361557 /nfs/dbraw/zinc/36/15/57/386361557.db2.gz OCXPTOQDJOXODI-SECBINFHSA-N 2 2 207.277 0.804 20 0 BCADLP c1cnn(CC[N@@H+]2CCc3[nH+]c[nH]c3C2)c1 ZINC000647933386 386362566 /nfs/dbraw/zinc/36/25/66/386362566.db2.gz MQTWXQPDJKMNSN-UHFFFAOYSA-N 2 2 217.276 0.665 20 0 BCADLP c1cnn(CC[N@H+]2CCc3[nH+]c[nH]c3C2)c1 ZINC000647933386 386362571 /nfs/dbraw/zinc/36/25/71/386362571.db2.gz MQTWXQPDJKMNSN-UHFFFAOYSA-N 2 2 217.276 0.665 20 0 BCADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H](O)CO)n2c1 ZINC000276751570 386371314 /nfs/dbraw/zinc/37/13/14/386371314.db2.gz LTPSPPZRUKLRAE-NSHDSACASA-N 2 2 235.287 0.086 20 0 BCADLP C[NH+](C)C[C@H]1C[N@H+](C[C@@H]2CCCOC2)CCO1 ZINC000336696130 386375422 /nfs/dbraw/zinc/37/54/22/386375422.db2.gz JTTPYSNPGKYDDW-STQMWFEESA-N 2 2 242.363 0.675 20 0 BCADLP C[NH+](C)C[C@H]1C[N@@H+](C[C@@H]2CCCOC2)CCO1 ZINC000336696130 386375425 /nfs/dbraw/zinc/37/54/25/386375425.db2.gz JTTPYSNPGKYDDW-STQMWFEESA-N 2 2 242.363 0.675 20 0 BCADLP C[C@H](CNC(=O)CCC[NH3+])Cn1cc[nH+]c1 ZINC000237392999 386376824 /nfs/dbraw/zinc/37/68/24/386376824.db2.gz CFBUSUPKDWGRKN-SNVBAGLBSA-N 2 2 224.308 0.374 20 0 BCADLP C[C@H](C[NH2+]Cc1nccn1C)C[NH+](C)C ZINC000291709323 386448665 /nfs/dbraw/zinc/44/86/65/386448665.db2.gz LEKVDGIXDGUASP-SNVBAGLBSA-N 2 2 210.325 0.707 20 0 BCADLP C[NH+]1CCC([N@H+](CCO)Cc2ccncc2)CC1 ZINC000266012576 386388700 /nfs/dbraw/zinc/38/87/00/386388700.db2.gz MIQIUYUJAQAQNA-UHFFFAOYSA-N 2 2 249.358 0.970 20 0 BCADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccncc2)CC1 ZINC000266012576 386388703 /nfs/dbraw/zinc/38/87/03/386388703.db2.gz MIQIUYUJAQAQNA-UHFFFAOYSA-N 2 2 249.358 0.970 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCNC(=O)C1(C)C ZINC000290070963 386390614 /nfs/dbraw/zinc/39/06/14/386390614.db2.gz PZXIXSWSXIJVOI-UHFFFAOYSA-N 2 2 236.319 0.173 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCNC(=O)C1(C)C ZINC000290070963 386390617 /nfs/dbraw/zinc/39/06/17/386390617.db2.gz PZXIXSWSXIJVOI-UHFFFAOYSA-N 2 2 236.319 0.173 20 0 BCADLP C[C@@H](CNC(=O)[C@@H]1CC[NH2+]C1)Cn1cc[nH+]c1 ZINC000237573571 386392946 /nfs/dbraw/zinc/39/29/46/386392946.db2.gz KOYHLLRQNHIMGW-WDEREUQCSA-N 2 2 236.319 0.245 20 0 BCADLP CCCN1CCC[N@H+](CCC[NH3+])CC1=O ZINC000414754503 386396237 /nfs/dbraw/zinc/39/62/37/386396237.db2.gz NURMRHLLBHYVPZ-UHFFFAOYSA-N 2 2 213.325 0.280 20 0 BCADLP CCCN1CCC[N@@H+](CCC[NH3+])CC1=O ZINC000414754503 386396243 /nfs/dbraw/zinc/39/62/43/386396243.db2.gz NURMRHLLBHYVPZ-UHFFFAOYSA-N 2 2 213.325 0.280 20 0 BCADLP C[C@H]1C[C@H](C[N@H+](CCO)CC(F)F)CC[NH2+]1 ZINC000414757631 386402665 /nfs/dbraw/zinc/40/26/65/386402665.db2.gz SXRZNQPGNWJTDB-VHSXEESVSA-N 2 2 236.306 0.934 20 0 BCADLP C[C@H]1C[C@H](C[N@@H+](CCO)CC(F)F)CC[NH2+]1 ZINC000414757631 386402671 /nfs/dbraw/zinc/40/26/71/386402671.db2.gz SXRZNQPGNWJTDB-VHSXEESVSA-N 2 2 236.306 0.934 20 0 BCADLP C[C@H]1C[C@@H](C[N@H+](CCO)CC(F)F)CC[NH2+]1 ZINC000414757630 386402704 /nfs/dbraw/zinc/40/27/04/386402704.db2.gz SXRZNQPGNWJTDB-UWVGGRQHSA-N 2 2 236.306 0.934 20 0 BCADLP C[C@H]1C[C@@H](C[N@@H+](CCO)CC(F)F)CC[NH2+]1 ZINC000414757630 386402708 /nfs/dbraw/zinc/40/27/08/386402708.db2.gz SXRZNQPGNWJTDB-UWVGGRQHSA-N 2 2 236.306 0.934 20 0 BCADLP CCCNC(=O)C1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000442655542 386404041 /nfs/dbraw/zinc/40/40/41/386404041.db2.gz CMWGUGQIEOVNPK-JTQLQIEISA-N 2 2 227.352 0.572 20 0 BCADLP Cn1cc(CC[NH+]2CCC([NH+](C)C)CC2)cn1 ZINC000336702183 386405217 /nfs/dbraw/zinc/40/52/17/386405217.db2.gz MCQHFWACRQXFOD-UHFFFAOYSA-N 2 2 236.363 0.989 20 0 BCADLP CCCC(=O)N[C@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000442663899 386414007 /nfs/dbraw/zinc/41/40/07/386414007.db2.gz UTGSIRMTCRJXJV-QWRGUYRKSA-N 2 2 227.352 0.714 20 0 BCADLP CCCC(=O)N[C@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000442663899 386414011 /nfs/dbraw/zinc/41/40/11/386414011.db2.gz UTGSIRMTCRJXJV-QWRGUYRKSA-N 2 2 227.352 0.714 20 0 BCADLP C[C@H](O)CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336712108 386436244 /nfs/dbraw/zinc/43/62/44/386436244.db2.gz NSVIFZLPMBMBMN-NSHDSACASA-N 2 2 238.335 0.298 20 0 BCADLP [NH3+]CC[N@@H+](C/C=C/c1ccccc1)CCO ZINC000414912625 386475319 /nfs/dbraw/zinc/47/53/19/386475319.db2.gz KKZZZROKFHKUKC-QPJJXVBHSA-N 2 2 220.316 0.953 20 0 BCADLP [NH3+]CC[N@H+](C/C=C/c1ccccc1)CCO ZINC000414912625 386475323 /nfs/dbraw/zinc/47/53/23/386475323.db2.gz KKZZZROKFHKUKC-QPJJXVBHSA-N 2 2 220.316 0.953 20 0 BCADLP COC(=O)C(C)(C)CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000414776170 386479789 /nfs/dbraw/zinc/47/97/89/386479789.db2.gz CCHQGFYPJFNGCO-UWVGGRQHSA-N 2 2 228.336 0.997 20 0 BCADLP COC(=O)C(C)(C)CC[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000414776170 386479792 /nfs/dbraw/zinc/47/97/92/386479792.db2.gz CCHQGFYPJFNGCO-UWVGGRQHSA-N 2 2 228.336 0.997 20 0 BCADLP C[C@@H]([NH2+]CC(=O)NCC(F)F)[C@@H]1CCCC[NH2+]1 ZINC000393699014 386484978 /nfs/dbraw/zinc/48/49/78/386484978.db2.gz ANIIGYFUWFFDHP-BDAKNGLRSA-N 2 2 249.305 0.488 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@H]1C ZINC000339584164 386487235 /nfs/dbraw/zinc/48/72/35/386487235.db2.gz YJDMBDGTBUWWTJ-SCVCMEIPSA-N 2 2 212.337 0.782 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@H]1C ZINC000339584164 386487239 /nfs/dbraw/zinc/48/72/39/386487239.db2.gz YJDMBDGTBUWWTJ-SCVCMEIPSA-N 2 2 212.337 0.782 20 0 BCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)[C@H]1C ZINC000339584164 386487246 /nfs/dbraw/zinc/48/72/46/386487246.db2.gz YJDMBDGTBUWWTJ-SCVCMEIPSA-N 2 2 212.337 0.782 20 0 BCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)[C@H]1C ZINC000339584164 386487249 /nfs/dbraw/zinc/48/72/49/386487249.db2.gz YJDMBDGTBUWWTJ-SCVCMEIPSA-N 2 2 212.337 0.782 20 0 BCADLP COC(=O)c1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])[nH]1 ZINC000415011360 386490151 /nfs/dbraw/zinc/49/01/51/386490151.db2.gz HPPQMOIGPMIEGP-JGVFFNPUSA-N 2 2 225.292 0.627 20 0 BCADLP C[C@@H](CC[NH+](C)C)NC(=O)Cn1cc[nH+]c1 ZINC000519574656 386497945 /nfs/dbraw/zinc/49/79/45/386497945.db2.gz IBRSESQVNRUMEQ-JTQLQIEISA-N 2 2 224.308 0.340 20 0 BCADLP C[C@H](C[NH3+])N(C)C(=O)CCn1cc[nH+]c1 ZINC000262610090 386499703 /nfs/dbraw/zinc/49/97/03/386499703.db2.gz VPNIUCHKYAADOJ-SECBINFHSA-N 2 2 210.281 0.079 20 0 BCADLP C[NH2+]C[C@H]1CCN(CC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000519606877 386502224 /nfs/dbraw/zinc/50/22/24/386502224.db2.gz OGYFCTCJUUXSKL-QWHCGFSZSA-N 2 2 241.379 0.248 20 0 BCADLP C[NH2+]C[C@H]1CCN(CC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000519606877 386502231 /nfs/dbraw/zinc/50/22/31/386502231.db2.gz OGYFCTCJUUXSKL-QWHCGFSZSA-N 2 2 241.379 0.248 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H]2CO[C@@H](C)C2)n1C ZINC000519639769 386513720 /nfs/dbraw/zinc/51/37/20/386513720.db2.gz BGKXGHZIFMRTOL-WCBMZHEXSA-N 2 2 209.293 0.996 20 0 BCADLP Cc1c[nH]nc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000335447313 386514158 /nfs/dbraw/zinc/51/41/58/386514158.db2.gz DPQAQYJYHPDZBY-QWRGUYRKSA-N 2 2 220.320 0.759 20 0 BCADLP Cc1c[nH]nc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000335447313 386514166 /nfs/dbraw/zinc/51/41/66/386514166.db2.gz DPQAQYJYHPDZBY-QWRGUYRKSA-N 2 2 220.320 0.759 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H]2CO[C@H](C)C2)n1C ZINC000519639741 386514259 /nfs/dbraw/zinc/51/42/59/386514259.db2.gz BGKXGHZIFMRTOL-PSASIEDQSA-N 2 2 209.293 0.996 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000267237050 386514350 /nfs/dbraw/zinc/51/43/50/386514350.db2.gz LZLLGORTPNQZMA-SNVBAGLBSA-N 2 2 246.314 0.730 20 0 BCADLP COc1cc(C)[nH+]c(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000415037221 386524283 /nfs/dbraw/zinc/52/42/83/386524283.db2.gz MPPOVIOLLJLNPC-ITGUQSILSA-N 2 2 233.315 0.706 20 0 BCADLP C[C@H](O)C[C@H](C)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336754861 386525360 /nfs/dbraw/zinc/52/53/60/386525360.db2.gz IOKNXBFNTBESND-USZNOCQGSA-N 2 2 214.353 0.933 20 0 BCADLP C[C@H](O)C[C@H](C)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336754861 386525363 /nfs/dbraw/zinc/52/53/63/386525363.db2.gz IOKNXBFNTBESND-USZNOCQGSA-N 2 2 214.353 0.933 20 0 BCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@H]1CC[NH2+]1 ZINC000335452775 386527497 /nfs/dbraw/zinc/52/74/97/386527497.db2.gz SVDMJHLOJCSGFZ-LLVKDONJSA-N 2 2 248.330 0.540 20 0 BCADLP Cc1occc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000414436996 386457711 /nfs/dbraw/zinc/45/77/11/386457711.db2.gz TVVPUQCKTWIMNH-GFCCVEGCSA-N 2 2 224.304 0.744 20 0 BCADLP Cc1occc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000414436996 386457718 /nfs/dbraw/zinc/45/77/18/386457718.db2.gz TVVPUQCKTWIMNH-GFCCVEGCSA-N 2 2 224.304 0.744 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000094341351 386459737 /nfs/dbraw/zinc/45/97/37/386459737.db2.gz IZZPEGKWHABLAP-SRVKXCTJSA-N 2 2 241.379 0.816 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000094341351 386459740 /nfs/dbraw/zinc/45/97/40/386459740.db2.gz IZZPEGKWHABLAP-SRVKXCTJSA-N 2 2 241.379 0.816 20 0 BCADLP CC1(C)C[N@H+](CCN[C@@H]2CCC[NH2+]C2)CCO1 ZINC000415077358 386576661 /nfs/dbraw/zinc/57/66/61/386576661.db2.gz DVFDTCAGSWMESJ-GFCCVEGCSA-N 2 2 241.379 0.439 20 0 BCADLP CC1(C)C[N@@H+](CCN[C@@H]2CCC[NH2+]C2)CCO1 ZINC000415077358 386576666 /nfs/dbraw/zinc/57/66/66/386576666.db2.gz DVFDTCAGSWMESJ-GFCCVEGCSA-N 2 2 241.379 0.439 20 0 BCADLP CC1(C)CN(CC[NH2+][C@@H]2CCC[NH2+]C2)CCO1 ZINC000415077358 386576671 /nfs/dbraw/zinc/57/66/71/386576671.db2.gz DVFDTCAGSWMESJ-GFCCVEGCSA-N 2 2 241.379 0.439 20 0 BCADLP CO[C@]1(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CCOC1 ZINC000336757002 386577082 /nfs/dbraw/zinc/57/70/82/386577082.db2.gz HJUZWUJNIQYMQP-UTUOFQBUSA-N 2 2 228.336 0.332 20 0 BCADLP CO[C@]1(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CCOC1 ZINC000336757002 386577089 /nfs/dbraw/zinc/57/70/89/386577089.db2.gz HJUZWUJNIQYMQP-UTUOFQBUSA-N 2 2 228.336 0.332 20 0 BCADLP C[C@H](C(N)=O)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124244611 386586331 /nfs/dbraw/zinc/58/63/31/386586331.db2.gz ULNUOPZUZFPPSI-SECBINFHSA-N 2 2 210.281 0.079 20 0 BCADLP C[C@H](C(N)=O)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124244611 386586336 /nfs/dbraw/zinc/58/63/36/386586336.db2.gz ULNUOPZUZFPPSI-SECBINFHSA-N 2 2 210.281 0.079 20 0 BCADLP C[C@@H](C(N)=O)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124244430 386586446 /nfs/dbraw/zinc/58/64/46/386586446.db2.gz ULNUOPZUZFPPSI-VIFPVBQESA-N 2 2 210.281 0.079 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124244430 386586450 /nfs/dbraw/zinc/58/64/50/386586450.db2.gz ULNUOPZUZFPPSI-VIFPVBQESA-N 2 2 210.281 0.079 20 0 BCADLP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[NH2+]C1 ZINC000415080902 386591110 /nfs/dbraw/zinc/59/11/10/386591110.db2.gz MIMCXHAFYAEJFX-HTQZYQBOSA-N 2 2 226.242 0.905 20 0 BCADLP C[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[NH2+]C1 ZINC000415080905 386591140 /nfs/dbraw/zinc/59/11/40/386591140.db2.gz MIMCXHAFYAEJFX-SFYZADRCSA-N 2 2 226.242 0.905 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@]2(C)CCC(=O)N2)C1 ZINC000453405151 386592027 /nfs/dbraw/zinc/59/20/27/386592027.db2.gz DXYVKVOCVSIXGW-LOWVWBTDSA-N 2 2 239.363 0.585 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@]2(C)CCC(=O)N2)C1 ZINC000453405151 386592034 /nfs/dbraw/zinc/59/20/34/386592034.db2.gz DXYVKVOCVSIXGW-LOWVWBTDSA-N 2 2 239.363 0.585 20 0 BCADLP COC(=O)c1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)o1 ZINC000414799480 386593449 /nfs/dbraw/zinc/59/34/49/386593449.db2.gz JYCXZLXSASKKKE-JTQLQIEISA-N 2 2 238.287 0.893 20 0 BCADLP Cc1cc(F)ccc1C[N@H+](CC[NH3+])CCO ZINC000414917244 386533616 /nfs/dbraw/zinc/53/36/16/386533616.db2.gz VMTVSDWPUTVLRR-UHFFFAOYSA-N 2 2 226.295 0.887 20 0 BCADLP Cc1cc(F)ccc1C[N@@H+](CC[NH3+])CCO ZINC000414917244 386533620 /nfs/dbraw/zinc/53/36/20/386533620.db2.gz VMTVSDWPUTVLRR-UHFFFAOYSA-N 2 2 226.295 0.887 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000519706731 386538542 /nfs/dbraw/zinc/53/85/42/386538542.db2.gz JJSRDIUZSAUGHK-SECBINFHSA-N 2 2 237.307 0.303 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000519706731 386538550 /nfs/dbraw/zinc/53/85/50/386538550.db2.gz JJSRDIUZSAUGHK-SECBINFHSA-N 2 2 237.307 0.303 20 0 BCADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCC1 ZINC000267459033 386545509 /nfs/dbraw/zinc/54/55/09/386545509.db2.gz UOORWVADASJSEW-NSHDSACASA-N 2 2 248.330 0.821 20 0 BCADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCC1 ZINC000267459033 386545515 /nfs/dbraw/zinc/54/55/15/386545515.db2.gz UOORWVADASJSEW-NSHDSACASA-N 2 2 248.330 0.821 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CC(=O)N(C)C1CC1 ZINC000063196349 386553146 /nfs/dbraw/zinc/55/31/46/386553146.db2.gz LKZALGKHJYGGIM-PWSUYJOCSA-N 2 2 239.363 0.809 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CC(=O)N(C)C1CC1 ZINC000063196349 386553148 /nfs/dbraw/zinc/55/31/48/386553148.db2.gz LKZALGKHJYGGIM-PWSUYJOCSA-N 2 2 239.363 0.809 20 0 BCADLP CC[NH+](CC)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC000278625647 386554110 /nfs/dbraw/zinc/55/41/10/386554110.db2.gz MWCBPOUGURMPJB-UHFFFAOYSA-N 2 2 238.335 0.719 20 0 BCADLP CC[NH+](CC)CCNC(=O)Cc1[nH+]c[nH]c1C ZINC000278625647 386554116 /nfs/dbraw/zinc/55/41/16/386554116.db2.gz MWCBPOUGURMPJB-UHFFFAOYSA-N 2 2 238.335 0.719 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CC(=O)N1CCCC1 ZINC000063195948 386554352 /nfs/dbraw/zinc/55/43/52/386554352.db2.gz CWJPNCCFKJAXLZ-RYUDHWBXSA-N 2 2 239.363 0.811 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CC(=O)N1CCCC1 ZINC000063195948 386554356 /nfs/dbraw/zinc/55/43/56/386554356.db2.gz CWJPNCCFKJAXLZ-RYUDHWBXSA-N 2 2 239.363 0.811 20 0 BCADLP O=C1NCC[C@@H]1[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904043 386565445 /nfs/dbraw/zinc/56/54/45/386565445.db2.gz VJHRPTWLILMQII-UTUOFQBUSA-N 2 2 237.347 0.339 20 0 BCADLP O=C1NCC[C@@H]1[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904043 386565447 /nfs/dbraw/zinc/56/54/47/386565447.db2.gz VJHRPTWLILMQII-UTUOFQBUSA-N 2 2 237.347 0.339 20 0 BCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)CCn1cc[nH+]c1 ZINC000320572659 386624213 /nfs/dbraw/zinc/62/42/13/386624213.db2.gz SMTIBEZUMWLLHE-VHSXEESVSA-N 2 2 224.308 0.515 20 0 BCADLP COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CC[NH2+]C1)C2 ZINC000415102115 386624569 /nfs/dbraw/zinc/62/45/69/386624569.db2.gz JIVKFCFJUCILEA-NWDGAFQWSA-N 2 2 248.326 0.950 20 0 BCADLP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CC[NH2+]C1)C2 ZINC000415102117 386624803 /nfs/dbraw/zinc/62/48/03/386624803.db2.gz JIVKFCFJUCILEA-VXGBXAGGSA-N 2 2 248.326 0.950 20 0 BCADLP Cn1nncc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000329172829 386625830 /nfs/dbraw/zinc/62/58/30/386625830.db2.gz LCZONXSZCFBWKU-UHFFFAOYSA-N 2 2 246.318 0.849 20 0 BCADLP COC(=O)c1coc(C[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000414811838 386627254 /nfs/dbraw/zinc/62/72/54/386627254.db2.gz WRTJHZJVKIVPRK-LLVKDONJSA-N 2 2 238.287 0.893 20 0 BCADLP CCCC[C@H](COC)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415091449 386610212 /nfs/dbraw/zinc/61/02/12/386610212.db2.gz CPXIVZKUXDMMSB-VXGBXAGGSA-N 2 2 230.352 0.770 20 0 BCADLP CCNC(=O)C(C)(C)[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000415091156 386611289 /nfs/dbraw/zinc/61/12/89/386611289.db2.gz BVGKBDLTUPHWIF-JTQLQIEISA-N 2 2 229.368 0.864 20 0 BCADLP CC(C)NC(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000179156750 386612276 /nfs/dbraw/zinc/61/22/76/386612276.db2.gz SUJZLUYWPBKOPD-UHFFFAOYSA-N 2 2 241.379 0.929 20 0 BCADLP CC(C)NC(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000179156750 386612282 /nfs/dbraw/zinc/61/22/82/386612282.db2.gz SUJZLUYWPBKOPD-UHFFFAOYSA-N 2 2 241.379 0.929 20 0 BCADLP CC[N@H+](CC(=O)NCCc1[nH]cc[nH+]1)C1CC1 ZINC000179170537 386613533 /nfs/dbraw/zinc/61/35/33/386613533.db2.gz UFPOIYKDDKLBJG-UHFFFAOYSA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@@H+](CC(=O)NCCc1[nH]cc[nH+]1)C1CC1 ZINC000179170537 386613536 /nfs/dbraw/zinc/61/35/36/386613536.db2.gz UFPOIYKDDKLBJG-UHFFFAOYSA-N 2 2 236.319 0.553 20 0 BCADLP O=C1[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C[C@@H]2CCCCN12 ZINC000415095842 386614742 /nfs/dbraw/zinc/61/47/42/386614742.db2.gz OHVSKZRALIKSLD-GRYCIOLGSA-N 2 2 237.347 0.481 20 0 BCADLP CC[C@H](COC)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414926283 386673982 /nfs/dbraw/zinc/67/39/82/386673982.db2.gz KTQVJYYAQCQOQA-GMTAPVOTSA-N 2 2 200.326 0.999 20 0 BCADLP CC[C@@H](C(=O)N[C@H](C)Cn1cc[nH+]c1)[NH+](C)C ZINC000268744561 386690537 /nfs/dbraw/zinc/69/05/37/386690537.db2.gz DWZLWFUHIGBGAR-MNOVXSKESA-N 2 2 238.335 0.728 20 0 BCADLP Cn1nnnc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000329518416 386692069 /nfs/dbraw/zinc/69/20/69/386692069.db2.gz ZKIMRWQTMMXNEM-UHFFFAOYSA-N 2 2 247.306 0.244 20 0 BCADLP CC(C)[C@](C)(O)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336760245 386705821 /nfs/dbraw/zinc/70/58/21/386705821.db2.gz MCFLYINSBCRBFP-IJLUTSLNSA-N 2 2 214.353 0.933 20 0 BCADLP CC(C)[C@](C)(O)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336760245 386705824 /nfs/dbraw/zinc/70/58/24/386705824.db2.gz MCFLYINSBCRBFP-IJLUTSLNSA-N 2 2 214.353 0.933 20 0 BCADLP CC(C)[C@@](C)(O)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336760246 386708300 /nfs/dbraw/zinc/70/83/00/386708300.db2.gz MCFLYINSBCRBFP-UTUOFQBUSA-N 2 2 214.353 0.933 20 0 BCADLP CC(C)[C@@](C)(O)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336760246 386708308 /nfs/dbraw/zinc/70/83/08/386708308.db2.gz MCFLYINSBCRBFP-UTUOFQBUSA-N 2 2 214.353 0.933 20 0 BCADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccnn1C ZINC000414840593 386737972 /nfs/dbraw/zinc/73/79/72/386737972.db2.gz MNFAZHBNESWYSN-JTQLQIEISA-N 2 2 210.325 0.883 20 0 BCADLP CCN(C)c1ccc(C[NH2+]CC[NH2+]C)cn1 ZINC000414833676 386714820 /nfs/dbraw/zinc/71/48/20/386714820.db2.gz STQCPTIFUBCXNO-UHFFFAOYSA-N 2 2 222.336 0.847 20 0 BCADLP Cn1ncnc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357087668 386715383 /nfs/dbraw/zinc/71/53/83/386715383.db2.gz SEKJBJOEJPZBEP-GFCCVEGCSA-N 2 2 249.362 0.637 20 0 BCADLP CC1(C)C[NH2+][C@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000645331323 386718335 /nfs/dbraw/zinc/71/83/35/386718335.db2.gz IMCKVNBOGRRSOD-NSHDSACASA-N 2 2 248.330 0.608 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000414928155 386718475 /nfs/dbraw/zinc/71/84/75/386718475.db2.gz MOVPDGRSCAQHHN-HBNTYKKESA-N 2 2 227.352 0.441 20 0 BCADLP C[NH2+]C[C@H](C)C[NH2+]Cc1c(C)nn(C)c1OC ZINC000414834295 386722485 /nfs/dbraw/zinc/72/24/85/386722485.db2.gz HGXWFTIUWBNRJR-VIFPVBQESA-N 2 2 240.351 0.682 20 0 BCADLP Cc1ccc2[nH+]c(CNC(=O)C3([NH3+])CC3)cn2c1 ZINC000269259393 386765993 /nfs/dbraw/zinc/76/59/93/386765993.db2.gz VCCRRDKOVHZZGY-UHFFFAOYSA-N 2 2 244.298 0.750 20 0 BCADLP CCN(CC)C(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000339896089 386774824 /nfs/dbraw/zinc/77/48/24/386774824.db2.gz WJFIGAIGRVQVAX-LBPRGKRZSA-N 2 2 229.368 0.818 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414935760 386816447 /nfs/dbraw/zinc/81/64/47/386816447.db2.gz UQOUWXNSYUPDGJ-GRYCIOLGSA-N 3 2 211.353 0.574 20 0 BCADLP Cc1cccn2c(C[NH2+][C@@H](C)CC(N)=O)c[nH+]c12 ZINC000344908253 386799273 /nfs/dbraw/zinc/79/92/73/386799273.db2.gz YYJUUVXOULYVTH-JTQLQIEISA-N 2 2 246.314 0.996 20 0 BCADLP CC[N@H+](C)CCNC(=O)CCc1c[nH+]cn1C ZINC000280295809 386801429 /nfs/dbraw/zinc/80/14/29/386801429.db2.gz XMKJTPNNYSMOEW-UHFFFAOYSA-N 2 2 238.335 0.421 20 0 BCADLP CC[N@@H+](C)CCNC(=O)CCc1c[nH+]cn1C ZINC000280295809 386801436 /nfs/dbraw/zinc/80/14/36/386801436.db2.gz XMKJTPNNYSMOEW-UHFFFAOYSA-N 2 2 238.335 0.421 20 0 BCADLP CC(C)n1c[nH+]cc1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000425338824 386840925 /nfs/dbraw/zinc/84/09/25/386840925.db2.gz QJCPAMFUYVBBGC-JQWIXIFHSA-N 2 2 239.319 0.392 20 0 BCADLP CC(C)n1c[nH+]cc1C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000425338824 386840929 /nfs/dbraw/zinc/84/09/29/386840929.db2.gz QJCPAMFUYVBBGC-JQWIXIFHSA-N 2 2 239.319 0.392 20 0 BCADLP c1[nH+]cn2c1C[N@H+](C[C@H]1CCOC1)CC2 ZINC000647939337 386841420 /nfs/dbraw/zinc/84/14/20/386841420.db2.gz KHPDOLGEIFICDW-SNVBAGLBSA-N 2 2 207.277 0.735 20 0 BCADLP c1[nH+]cn2c1C[N@@H+](C[C@H]1CCOC1)CC2 ZINC000647939337 386841421 /nfs/dbraw/zinc/84/14/21/386841421.db2.gz KHPDOLGEIFICDW-SNVBAGLBSA-N 2 2 207.277 0.735 20 0 BCADLP C[C@H](C[NH2+]Cc1cnn(C)n1)Cn1cc[nH+]c1 ZINC000293585068 386843270 /nfs/dbraw/zinc/84/32/70/386843270.db2.gz NXTIPZLOAOJULV-SNVBAGLBSA-N 2 2 234.307 0.438 20 0 BCADLP O=C1CC[C@H]([NH2+]Cc2c[nH+]c[nH]2)[C@H](C2CC2)N1 ZINC000341241839 386858632 /nfs/dbraw/zinc/85/86/32/386858632.db2.gz ZZMABBJMGAXAHW-JQWIXIFHSA-N 2 2 234.303 0.557 20 0 BCADLP CCOc1cccc(C[N@H+](CC[NH3+])CCO)c1 ZINC000414939652 386861151 /nfs/dbraw/zinc/86/11/51/386861151.db2.gz WZYNSMDJHWYRPT-UHFFFAOYSA-N 2 2 238.331 0.838 20 0 BCADLP CCOc1cccc(C[N@@H+](CC[NH3+])CCO)c1 ZINC000414939652 386861157 /nfs/dbraw/zinc/86/11/57/386861157.db2.gz WZYNSMDJHWYRPT-UHFFFAOYSA-N 2 2 238.331 0.838 20 0 BCADLP Cc1cc(NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc[nH+]1 ZINC000334826796 386863291 /nfs/dbraw/zinc/86/32/91/386863291.db2.gz WQJKQCNJNGBDRL-CABZTGNLSA-N 2 2 248.330 0.931 20 0 BCADLP C[C@@H]1C[C@@H](C[N@H+]2CC(=O)N(C3CC3)C2)CC[NH2+]1 ZINC000334833866 386871918 /nfs/dbraw/zinc/87/19/18/386871918.db2.gz UHENWRBLNGKTSK-MNOVXSKESA-N 2 2 237.347 0.639 20 0 BCADLP C[C@@H]1C[C@@H](C[N@@H+]2CC(=O)N(C3CC3)C2)CC[NH2+]1 ZINC000334833866 386871922 /nfs/dbraw/zinc/87/19/22/386871922.db2.gz UHENWRBLNGKTSK-MNOVXSKESA-N 2 2 237.347 0.639 20 0 BCADLP Cc1noc(CCC[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC000358117094 386895144 /nfs/dbraw/zinc/89/51/44/386895144.db2.gz ADOAAAGGHQETBD-ONGXEEELSA-N 2 2 238.335 0.850 20 0 BCADLP Cc1noc(CCC[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC000358117094 386895148 /nfs/dbraw/zinc/89/51/48/386895148.db2.gz ADOAAAGGHQETBD-ONGXEEELSA-N 2 2 238.335 0.850 20 0 BCADLP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000334849607 386897903 /nfs/dbraw/zinc/89/79/03/386897903.db2.gz XEBMAEPMNZEWKF-ZJUUUORDSA-N 3 2 233.306 0.573 20 0 BCADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCO[C@@H]1C ZINC000358136694 386899737 /nfs/dbraw/zinc/89/97/37/386899737.db2.gz ACPWLCMDVCHKLA-JHJVBQTASA-N 2 2 242.363 0.864 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cnc(N(C)C)nc1 ZINC000414942281 386900116 /nfs/dbraw/zinc/90/01/16/386900116.db2.gz ZOSSJFMKRWPNJS-JQWIXIFHSA-N 2 2 249.362 0.630 20 0 BCADLP Cc1noc(C)c1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358160244 386903483 /nfs/dbraw/zinc/90/34/83/386903483.db2.gz KDIPPEVYCTUIDO-GFCCVEGCSA-N 2 2 239.319 0.448 20 0 BCADLP Cc1noc(C)c1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358160244 386903489 /nfs/dbraw/zinc/90/34/89/386903489.db2.gz KDIPPEVYCTUIDO-GFCCVEGCSA-N 2 2 239.319 0.448 20 0 BCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cnccn1 ZINC000330881647 386909335 /nfs/dbraw/zinc/90/93/35/386909335.db2.gz NVLJSYRZOPHVCG-ZYHUDNBSSA-N 2 2 236.319 0.194 20 0 BCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cnccn1 ZINC000330881647 386909348 /nfs/dbraw/zinc/90/93/48/386909348.db2.gz NVLJSYRZOPHVCG-ZYHUDNBSSA-N 2 2 236.319 0.194 20 0 BCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccnc1 ZINC000358259815 386920856 /nfs/dbraw/zinc/92/08/56/386920856.db2.gz UYYHMJMZPWBIBQ-YPMHNXCESA-N 2 2 235.331 0.799 20 0 BCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccnc1 ZINC000358259815 386920858 /nfs/dbraw/zinc/92/08/58/386920858.db2.gz UYYHMJMZPWBIBQ-YPMHNXCESA-N 2 2 235.331 0.799 20 0 BCADLP CC(=O)NCCC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336762453 386925459 /nfs/dbraw/zinc/92/54/59/386925459.db2.gz ODZTWIUHIUVITH-GXSJLCMTSA-N 2 2 213.325 0.052 20 0 BCADLP CC(=O)NCCC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336762453 386925464 /nfs/dbraw/zinc/92/54/64/386925464.db2.gz ODZTWIUHIUVITH-GXSJLCMTSA-N 2 2 213.325 0.052 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000335835050 386935098 /nfs/dbraw/zinc/93/50/98/386935098.db2.gz HWHCWWNPWRYKBA-JTQLQIEISA-N 2 2 236.319 0.330 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000335835050 386935102 /nfs/dbraw/zinc/93/51/02/386935102.db2.gz HWHCWWNPWRYKBA-JTQLQIEISA-N 2 2 236.319 0.330 20 0 BCADLP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000332014269 386941932 /nfs/dbraw/zinc/94/19/32/386941932.db2.gz PZTSTOAHMCMOPG-UTUOFQBUSA-N 3 2 213.369 0.947 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000334822415 386952301 /nfs/dbraw/zinc/95/23/01/386952301.db2.gz SHJGKFDBJPZCDU-JOYOIKCWSA-N 2 2 248.330 0.931 20 0 BCADLP COC[C@H](C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)OC ZINC000358428962 386953701 /nfs/dbraw/zinc/95/37/01/386953701.db2.gz FFJQSVIUZJJUIZ-DRZSPHRISA-N 2 2 242.363 0.720 20 0 BCADLP COC[C@H](C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)OC ZINC000358428962 386953706 /nfs/dbraw/zinc/95/37/06/386953706.db2.gz FFJQSVIUZJJUIZ-DRZSPHRISA-N 2 2 242.363 0.720 20 0 BCADLP C[NH2+][C@@H]1CCN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000334825978 386957844 /nfs/dbraw/zinc/95/78/44/386957844.db2.gz QSCKZMFVMLYKOB-LLVKDONJSA-N 2 2 234.303 0.638 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000518978328 386967886 /nfs/dbraw/zinc/96/78/86/386967886.db2.gz MEBDCOUCYAGZHL-NXEZZACHSA-N 2 2 209.297 0.008 20 0 BCADLP C[NH+](C)CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000368460010 386976124 /nfs/dbraw/zinc/97/61/24/386976124.db2.gz YEJWXWCGGDENPX-VIFPVBQESA-N 2 2 236.319 0.507 20 0 BCADLP C[NH+](C)CCNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000368460010 386976128 /nfs/dbraw/zinc/97/61/28/386976128.db2.gz YEJWXWCGGDENPX-VIFPVBQESA-N 2 2 236.319 0.507 20 0 BCADLP CC(C)(O)CC[N@H+]1CCCC[C@@H]1C(=[NH2+])NO ZINC000368526074 386984731 /nfs/dbraw/zinc/98/47/31/386984731.db2.gz RFSQTFBAKKTZQZ-SECBINFHSA-N 2 2 229.324 0.958 20 0 BCADLP O[C@@H]1CC[C@@H]2C[N@H+](CCn3cc[nH+]c3)C[C@@H]2C1 ZINC000398781684 386990460 /nfs/dbraw/zinc/99/04/60/386990460.db2.gz KIOIZIPAXZKLAM-FRRDWIJNSA-N 2 2 235.331 0.976 20 0 BCADLP O[C@@H]1CC[C@@H]2C[N@@H+](CCn3cc[nH+]c3)C[C@@H]2C1 ZINC000398781684 386990462 /nfs/dbraw/zinc/99/04/62/386990462.db2.gz KIOIZIPAXZKLAM-FRRDWIJNSA-N 2 2 235.331 0.976 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000368648659 387000353 /nfs/dbraw/zinc/00/03/53/387000353.db2.gz WKPABQMCNVSCNT-LBPRGKRZSA-N 2 2 248.330 0.378 20 0 BCADLP CC(=O)NCC[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000514600448 387006859 /nfs/dbraw/zinc/00/68/59/387006859.db2.gz PKPIWXMCYAMAIA-GFCCVEGCSA-N 2 2 227.352 0.539 20 0 BCADLP CC(=O)NCC[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000514600448 387006865 /nfs/dbraw/zinc/00/68/65/387006865.db2.gz PKPIWXMCYAMAIA-GFCCVEGCSA-N 2 2 227.352 0.539 20 0 BCADLP CC(=O)NCC[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000514600448 387006867 /nfs/dbraw/zinc/00/68/67/387006867.db2.gz PKPIWXMCYAMAIA-GFCCVEGCSA-N 2 2 227.352 0.539 20 0 BCADLP CC(=O)NCC[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000514600448 387006870 /nfs/dbraw/zinc/00/68/70/387006870.db2.gz PKPIWXMCYAMAIA-GFCCVEGCSA-N 2 2 227.352 0.539 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N(C)C1CC([NH3+])C1 ZINC000334820382 386949578 /nfs/dbraw/zinc/94/95/78/386949578.db2.gz GPJOSTSXJIQFOR-UHFFFAOYSA-N 2 2 234.303 0.765 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)NCC(C)(C)[NH3+] ZINC000334821203 386950407 /nfs/dbraw/zinc/95/04/07/386950407.db2.gz JDUWAKDRPIJLCX-UHFFFAOYSA-N 2 2 222.292 0.671 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000334821873 386951907 /nfs/dbraw/zinc/95/19/07/386951907.db2.gz NKDDPUAXSVHXFZ-JQWIXIFHSA-N 2 2 248.330 0.931 20 0 BCADLP Cn1cc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[NH2+]C2)cn1 ZINC000333372386 387031142 /nfs/dbraw/zinc/03/11/42/387031142.db2.gz FUJGURAMWONCFC-UTUOFQBUSA-N 2 2 236.319 0.202 20 0 BCADLP Cn1cc([C@@H]2OCC[C@H]2[NH2+][C@H]2CC[NH2+]C2)cn1 ZINC000333372385 387031605 /nfs/dbraw/zinc/03/16/05/387031605.db2.gz FUJGURAMWONCFC-TUAOUCFPSA-N 2 2 236.319 0.202 20 0 BCADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)NC1CC1 ZINC000369348214 387039011 /nfs/dbraw/zinc/03/90/11/387039011.db2.gz HTNZRQLSIBTHQV-UHFFFAOYSA-N 2 2 248.330 0.868 20 0 BCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCC[C@H]1O ZINC000333625914 387046231 /nfs/dbraw/zinc/04/62/31/387046231.db2.gz UZIULSMKUYUJCN-IRCOFANPSA-N 2 2 228.336 0.256 20 0 BCADLP Cc1n[nH]c(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)n1 ZINC000392390550 387057910 /nfs/dbraw/zinc/05/79/10/387057910.db2.gz UIDZUIPPQRVNIK-KOLCDFICSA-N 2 2 237.351 0.776 20 0 BCADLP Cc1nc(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)n[nH]1 ZINC000392390550 387057916 /nfs/dbraw/zinc/05/79/16/387057916.db2.gz UIDZUIPPQRVNIK-KOLCDFICSA-N 2 2 237.351 0.776 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417398874 387016489 /nfs/dbraw/zinc/01/64/89/387016489.db2.gz IEPIHZNLKJDPJJ-WFFHOREQSA-N 2 2 224.348 0.972 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417398874 387016491 /nfs/dbraw/zinc/01/64/91/387016491.db2.gz IEPIHZNLKJDPJJ-WFFHOREQSA-N 2 2 224.348 0.972 20 0 BCADLP c1nc2cnccn2c1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000333196602 387021231 /nfs/dbraw/zinc/02/12/31/387021231.db2.gz WIVQLJGPUHGZBE-NSHDSACASA-N 2 2 245.330 0.961 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842232 387077190 /nfs/dbraw/zinc/07/71/90/387077190.db2.gz OTGRPABLCJZRAA-MNOVXSKESA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842232 387077196 /nfs/dbraw/zinc/07/71/96/387077196.db2.gz OTGRPABLCJZRAA-MNOVXSKESA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@@H](C(N)=O)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842232 387077200 /nfs/dbraw/zinc/07/72/00/387077200.db2.gz OTGRPABLCJZRAA-MNOVXSKESA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@@H](C(N)=O)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842232 387077203 /nfs/dbraw/zinc/07/72/03/387077203.db2.gz OTGRPABLCJZRAA-MNOVXSKESA-N 2 2 227.352 0.524 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)C(C)(C)C[NH3+] ZINC000070854571 387079001 /nfs/dbraw/zinc/07/90/01/387079001.db2.gz KRKHDYALYYZZSV-UHFFFAOYSA-N 2 2 210.281 0.021 20 0 BCADLP CC[C@H](C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000334996803 387088351 /nfs/dbraw/zinc/08/83/51/387088351.db2.gz UYNFIVOIIFGJGW-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP CC[C@H](C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000334996803 387088354 /nfs/dbraw/zinc/08/83/54/387088354.db2.gz UYNFIVOIIFGJGW-NWDGAFQWSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@H](C[NH3+])[NH2+]Cc1cccc2c1OCCO2 ZINC000162010522 387107979 /nfs/dbraw/zinc/10/79/79/387107979.db2.gz XQGAYHUWDZYEEF-SECBINFHSA-N 2 2 222.288 0.895 20 0 BCADLP Cc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)n(C)n1 ZINC000335028338 387122842 /nfs/dbraw/zinc/12/28/42/387122842.db2.gz IHCSMLHPPWHTOE-BXKDBHETSA-N 2 2 222.336 0.816 20 0 BCADLP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCN(CCOC)C1 ZINC000423299716 387128892 /nfs/dbraw/zinc/12/88/92/387128892.db2.gz QMXXUDPJXFZRCC-OLZOCXBDSA-N 2 2 243.395 0.814 20 0 BCADLP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCN(CCOC)C1 ZINC000423299718 387129956 /nfs/dbraw/zinc/12/99/56/387129956.db2.gz QMXXUDPJXFZRCC-STQMWFEESA-N 2 2 243.395 0.814 20 0 BCADLP CN(CCCn1cc[nH+]c1)C(=O)C1([NH3+])CC1 ZINC000353200828 387154951 /nfs/dbraw/zinc/15/49/51/387154951.db2.gz DTMUWYRUVRLMGU-UHFFFAOYSA-N 2 2 222.292 0.223 20 0 BCADLP COCC[NH2+]CC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000423343407 387193049 /nfs/dbraw/zinc/19/30/49/387193049.db2.gz WFTHNJBYIWLJNB-HBNTYKKESA-N 2 2 216.325 0.378 20 0 BCADLP CN(C)c1ccc(CNC(=O)C2(C)C[NH2+]C2)c[nH+]1 ZINC000423321397 387163860 /nfs/dbraw/zinc/16/38/60/387163860.db2.gz HNCIDBMWOIUXJA-UHFFFAOYSA-N 2 2 248.330 0.373 20 0 BCADLP C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)C(=O)N(C)C ZINC000359794169 387164618 /nfs/dbraw/zinc/16/46/18/387164618.db2.gz BQVRLGKJTNTYPH-SNVBAGLBSA-N 2 2 246.314 0.901 20 0 BCADLP COCC[NH2+]CC[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000423330075 387172036 /nfs/dbraw/zinc/17/20/36/387172036.db2.gz LVUBBWHFRQPIAE-MXWKQRLJSA-N 2 2 200.326 0.857 20 0 BCADLP CC[C@H](Cn1cncn1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000353392449 387193494 /nfs/dbraw/zinc/19/34/94/387193494.db2.gz ZMRABSWNHLZKFV-NWDGAFQWSA-N 2 2 248.334 0.932 20 0 BCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287933 387137829 /nfs/dbraw/zinc/13/78/29/387137829.db2.gz LDMFSEVJHXRHBR-GARJFASQSA-N 2 2 225.336 0.052 20 0 BCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287933 387137833 /nfs/dbraw/zinc/13/78/33/387137833.db2.gz LDMFSEVJHXRHBR-GARJFASQSA-N 2 2 225.336 0.052 20 0 BCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287773 387138708 /nfs/dbraw/zinc/13/87/08/387138708.db2.gz FXWNZDREXAJWPO-PHIMTYICSA-N 2 2 225.336 0.004 20 0 BCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287773 387138715 /nfs/dbraw/zinc/13/87/15/387138715.db2.gz FXWNZDREXAJWPO-PHIMTYICSA-N 2 2 225.336 0.004 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423356499 387208611 /nfs/dbraw/zinc/20/86/11/387208611.db2.gz JZYUGLTXBUFMIG-UPJWGTAASA-N 3 2 241.379 0.485 20 0 BCADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423359892 387212751 /nfs/dbraw/zinc/21/27/51/387212751.db2.gz PVKGBIJJVHFCRU-QJPTWQEYSA-N 3 2 211.353 0.716 20 0 BCADLP NC(=O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230021718 387226833 /nfs/dbraw/zinc/22/68/33/387226833.db2.gz CGHLKPJZNZVYLM-UHFFFAOYSA-N 2 2 221.304 0.323 20 0 BCADLP NC(=O)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230021718 387226837 /nfs/dbraw/zinc/22/68/37/387226837.db2.gz CGHLKPJZNZVYLM-UHFFFAOYSA-N 2 2 221.304 0.323 20 0 BCADLP CC(C)[C@@H]([NH2+]CCn1cc[nH+]c1)c1nncn1C ZINC000352467494 387230093 /nfs/dbraw/zinc/23/00/93/387230093.db2.gz LDPJPPAIALETMC-LLVKDONJSA-N 2 2 248.334 0.999 20 0 BCADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000353405590 387194262 /nfs/dbraw/zinc/19/42/62/387194262.db2.gz VYBRZFYJBABHMW-NWDGAFQWSA-N 2 2 237.351 0.741 20 0 BCADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000353405590 387194265 /nfs/dbraw/zinc/19/42/65/387194265.db2.gz VYBRZFYJBABHMW-NWDGAFQWSA-N 2 2 237.351 0.741 20 0 BCADLP C[C@]1(C[NH2+][C@H]2CCC[C@H]2[NH3+])CCC[NH2+]C1 ZINC000423346155 387195813 /nfs/dbraw/zinc/19/58/13/387195813.db2.gz PSOLDYSKEYLOOT-WOPDTQHZSA-N 3 2 211.353 0.846 20 0 BCADLP CC1(C(=O)NCCCNc2cccc[nH+]2)C[NH2+]C1 ZINC000423347924 387197212 /nfs/dbraw/zinc/19/72/12/387197212.db2.gz SFOBSISQCKDHOP-UHFFFAOYSA-N 2 2 248.330 0.609 20 0 BCADLP CC[NH2+]CCC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000643499231 387285789 /nfs/dbraw/zinc/28/57/89/387285789.db2.gz LOHAVVMUYDEGQL-VXGBXAGGSA-N 3 2 229.368 0.343 20 0 BCADLP O=C1CCN(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000372469600 387307128 /nfs/dbraw/zinc/30/71/28/387307128.db2.gz ZBHQCGLIATVNGY-LLVKDONJSA-N 2 2 248.330 0.410 20 0 BCADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360820011 387354484 /nfs/dbraw/zinc/35/44/84/387354484.db2.gz UHHYTGNPCZOMAK-YUMQZZPRSA-N 2 2 235.278 0.083 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423553605 387373743 /nfs/dbraw/zinc/37/37/43/387373743.db2.gz KNVFCNGXGWRXET-AGIUHOORSA-N 3 2 241.379 0.485 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423553607 387373952 /nfs/dbraw/zinc/37/39/52/387373952.db2.gz KNVFCNGXGWRXET-JHJVBQTASA-N 3 2 241.379 0.485 20 0 BCADLP CO[C@@H](C[NH3+])C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000515416919 387379332 /nfs/dbraw/zinc/37/93/32/387379332.db2.gz SHPGBDJXJOWZGW-NSHDSACASA-N 2 2 237.303 0.288 20 0 BCADLP CCN(C)C(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372993220 387337575 /nfs/dbraw/zinc/33/75/75/387337575.db2.gz OVGFLIGRTNVPAZ-GFCCVEGCSA-N 2 2 241.379 0.881 20 0 BCADLP CCN(C)C(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372993220 387337580 /nfs/dbraw/zinc/33/75/80/387337580.db2.gz OVGFLIGRTNVPAZ-GFCCVEGCSA-N 2 2 241.379 0.881 20 0 BCADLP COC[C@@H](O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000360700937 387340377 /nfs/dbraw/zinc/34/03/77/387340377.db2.gz VJZPBUSMTQVYMW-NSHDSACASA-N 2 2 239.319 0.596 20 0 BCADLP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000309801157 387340533 /nfs/dbraw/zinc/34/05/33/387340533.db2.gz RFQLRGJTVSJTLW-PWSUYJOCSA-N 2 2 222.336 0.502 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000309801157 387340537 /nfs/dbraw/zinc/34/05/37/387340537.db2.gz RFQLRGJTVSJTLW-PWSUYJOCSA-N 3 2 222.336 0.502 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000309801157 387340538 /nfs/dbraw/zinc/34/05/38/387340538.db2.gz RFQLRGJTVSJTLW-PWSUYJOCSA-N 3 2 222.336 0.502 20 0 BCADLP CC(C)[NH2+]CCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000572354557 387341716 /nfs/dbraw/zinc/34/17/16/387341716.db2.gz DJNBGLWCVBSCGB-NEPJUHHUSA-N 3 2 213.369 0.962 20 0 BCADLP CC(C)[NH2+]CCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000572354558 387341843 /nfs/dbraw/zinc/34/18/43/387341843.db2.gz DJNBGLWCVBSCGB-NWDGAFQWSA-N 3 2 213.369 0.962 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)C(C)(C)C ZINC000423514648 387351201 /nfs/dbraw/zinc/35/12/01/387351201.db2.gz DPDRNOLZWHHQHR-VHSXEESVSA-N 2 2 200.326 0.999 20 0 BCADLP CSC[C@@H](O)C[NH2+]CCCCn1cc[nH+]c1 ZINC000516050570 387451931 /nfs/dbraw/zinc/45/19/31/387451931.db2.gz WEMZRUHPQGUDPS-NSHDSACASA-N 2 2 243.376 0.977 20 0 BCADLP C[C@H](C[NH2+]CCCc1cnn(C)c1)[NH+](C)C ZINC000314065358 387385349 /nfs/dbraw/zinc/38/53/49/387385349.db2.gz YXUGYRHHLRCLHV-LLVKDONJSA-N 2 2 224.352 0.892 20 0 BCADLP CCC[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000354524221 387389818 /nfs/dbraw/zinc/38/98/18/387389818.db2.gz WUVMGYXCJVTUPW-VXGBXAGGSA-N 2 2 241.379 0.879 20 0 BCADLP CCC[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000354524221 387389821 /nfs/dbraw/zinc/38/98/21/387389821.db2.gz WUVMGYXCJVTUPW-VXGBXAGGSA-N 2 2 241.379 0.879 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c[nH+]1 ZINC000423633242 387390009 /nfs/dbraw/zinc/39/00/09/387390009.db2.gz KZUAOSKNSYJSID-DKCNOQQISA-N 2 2 236.319 0.834 20 0 BCADLP COC(=O)CC[N@H+](C[C@@H](C)[NH3+])C[C@@H]1CCCO1 ZINC000515649562 387413574 /nfs/dbraw/zinc/41/35/74/387413574.db2.gz FXTDJBIWDFUTQM-MNOVXSKESA-N 2 2 244.335 0.378 20 0 BCADLP COC(=O)CC[N@@H+](C[C@@H](C)[NH3+])C[C@@H]1CCCO1 ZINC000515649562 387413576 /nfs/dbraw/zinc/41/35/76/387413576.db2.gz FXTDJBIWDFUTQM-MNOVXSKESA-N 2 2 244.335 0.378 20 0 BCADLP COC(C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21)OC ZINC000375251123 387518457 /nfs/dbraw/zinc/51/84/57/387518457.db2.gz YTISVMZUZQHFBW-QWRGUYRKSA-N 2 2 228.336 0.631 20 0 BCADLP COC(C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21)OC ZINC000375251123 387518462 /nfs/dbraw/zinc/51/84/62/387518462.db2.gz YTISVMZUZQHFBW-QWRGUYRKSA-N 2 2 228.336 0.631 20 0 BCADLP COC(C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21)OC ZINC000375251123 387518466 /nfs/dbraw/zinc/51/84/66/387518466.db2.gz YTISVMZUZQHFBW-QWRGUYRKSA-N 2 2 228.336 0.631 20 0 BCADLP COC(C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)OC ZINC000375251123 387518467 /nfs/dbraw/zinc/51/84/67/387518467.db2.gz YTISVMZUZQHFBW-QWRGUYRKSA-N 2 2 228.336 0.631 20 0 BCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000355319566 387519568 /nfs/dbraw/zinc/51/95/68/387519568.db2.gz MNHIGXXAHPPZGK-NSHDSACASA-N 2 2 227.352 0.348 20 0 BCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000355319566 387519570 /nfs/dbraw/zinc/51/95/70/387519570.db2.gz MNHIGXXAHPPZGK-NSHDSACASA-N 2 2 227.352 0.348 20 0 BCADLP CC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000304326516 387466304 /nfs/dbraw/zinc/46/63/04/387466304.db2.gz QOSYQTNFFYPIKE-OLZOCXBDSA-N 2 2 242.363 0.411 20 0 BCADLP CC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000304326516 387466308 /nfs/dbraw/zinc/46/63/08/387466308.db2.gz QOSYQTNFFYPIKE-OLZOCXBDSA-N 2 2 242.363 0.411 20 0 BCADLP CC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000304326517 387466918 /nfs/dbraw/zinc/46/69/18/387466918.db2.gz QOSYQTNFFYPIKE-STQMWFEESA-N 2 2 242.363 0.411 20 0 BCADLP CC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000304326517 387466924 /nfs/dbraw/zinc/46/69/24/387466924.db2.gz QOSYQTNFFYPIKE-STQMWFEESA-N 2 2 242.363 0.411 20 0 BCADLP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643508267 387481856 /nfs/dbraw/zinc/48/18/56/387481856.db2.gz ZRZNJFHQZKCTOJ-PWSUYJOCSA-N 3 2 211.353 0.846 20 0 BCADLP Cn1nncc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000375776235 387581796 /nfs/dbraw/zinc/58/17/96/387581796.db2.gz GBAAWZIXYWVJQS-NSHDSACASA-N 2 2 237.351 0.731 20 0 BCADLP Cn1nncc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000375776235 387581797 /nfs/dbraw/zinc/58/17/97/387581797.db2.gz GBAAWZIXYWVJQS-NSHDSACASA-N 2 2 237.351 0.731 20 0 BCADLP CC[C@@H](C)NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430588176 387629486 /nfs/dbraw/zinc/62/94/86/387629486.db2.gz YRDWVBMCAVXHGP-SKDRFNHKSA-N 2 2 227.352 0.618 20 0 BCADLP CC(C)[C@@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000124563459 387622712 /nfs/dbraw/zinc/62/27/12/387622712.db2.gz FNDLIONLEBMXMY-NSHDSACASA-N 2 2 240.351 0.593 20 0 BCADLP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422709687 387623567 /nfs/dbraw/zinc/62/35/67/387623567.db2.gz ZOXWFIXGRLLFOT-SDDRHHMPSA-N 2 2 241.379 0.879 20 0 BCADLP CCC[C@H](O)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422713656 387626398 /nfs/dbraw/zinc/62/63/98/387626398.db2.gz PWWSENJXLBMCBJ-XQQFMLRXSA-N 2 2 242.363 0.504 20 0 BCADLP CC(=O)N1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000124633593 387626717 /nfs/dbraw/zinc/62/67/17/387626717.db2.gz IQZCUZOCADEBAA-ZDUSSCGKSA-N 2 2 239.363 0.635 20 0 BCADLP CC(=O)N1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000124633593 387626723 /nfs/dbraw/zinc/62/67/23/387626723.db2.gz IQZCUZOCADEBAA-ZDUSSCGKSA-N 2 2 239.363 0.635 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+]CC[N@H+]1CC=CCC1 ZINC000355522157 387547783 /nfs/dbraw/zinc/54/77/83/387547783.db2.gz BNUTWUFQOJQANS-GFCCVEGCSA-N 2 2 239.363 0.705 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+]CC[N@@H+]1CC=CCC1 ZINC000355522157 387547784 /nfs/dbraw/zinc/54/77/84/387547784.db2.gz BNUTWUFQOJQANS-GFCCVEGCSA-N 2 2 239.363 0.705 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000361881899 387549037 /nfs/dbraw/zinc/54/90/37/387549037.db2.gz XZNNQMBZESVLPK-YNEHKIRRSA-N 2 2 244.379 0.968 20 0 BCADLP CO[C@H](C)[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000361881898 387549328 /nfs/dbraw/zinc/54/93/28/387549328.db2.gz XZNNQMBZESVLPK-RWMBFGLXSA-N 2 2 244.379 0.968 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCN1CCOCC1 ZINC000430547514 387627443 /nfs/dbraw/zinc/62/74/43/387627443.db2.gz UMVYWRCHNZUDRY-ZDUSSCGKSA-N 2 2 241.379 0.393 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCCN1CCOCC1 ZINC000430547514 387627446 /nfs/dbraw/zinc/62/74/46/387627446.db2.gz UMVYWRCHNZUDRY-ZDUSSCGKSA-N 2 2 241.379 0.393 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCN1CCOC[C@H]1C ZINC000422718874 387630112 /nfs/dbraw/zinc/63/01/12/387630112.db2.gz QIQPTIXJJWYIGS-UPJWGTAASA-N 2 2 241.379 0.295 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCN1CCOC[C@H]1C ZINC000422718872 387630400 /nfs/dbraw/zinc/63/04/00/387630400.db2.gz QIQPTIXJJWYIGS-JHJVBQTASA-N 2 2 241.379 0.295 20 0 BCADLP CN(C(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1)C1CC1 ZINC000430588430 387631206 /nfs/dbraw/zinc/63/12/06/387631206.db2.gz ZDZDLQAGMPUPRY-LBPRGKRZSA-N 2 2 225.336 0.324 20 0 BCADLP C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422720387 387633271 /nfs/dbraw/zinc/63/32/71/387633271.db2.gz SJXSRQYYWSHGNE-XQQFMLRXSA-N 2 2 241.379 0.437 20 0 BCADLP C[NH2+][C@H]1CC[N@H+](CCC(=O)NC2CCCC2)C1 ZINC000430605892 387633452 /nfs/dbraw/zinc/63/34/52/387633452.db2.gz SYMUSWPOYLAFCE-LBPRGKRZSA-N 2 2 239.363 0.729 20 0 BCADLP C[NH2+][C@H]1CC[N@@H+](CCC(=O)NC2CCCC2)C1 ZINC000430605892 387633455 /nfs/dbraw/zinc/63/34/55/387633455.db2.gz SYMUSWPOYLAFCE-LBPRGKRZSA-N 2 2 239.363 0.729 20 0 BCADLP NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430651192 387636150 /nfs/dbraw/zinc/63/61/50/387636150.db2.gz VVGHFOWMNSFSGZ-DGCLKSJQSA-N 2 2 247.342 0.884 20 0 BCADLP NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430651192 387636152 /nfs/dbraw/zinc/63/61/52/387636152.db2.gz VVGHFOWMNSFSGZ-DGCLKSJQSA-N 2 2 247.342 0.884 20 0 BCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C[NH3+])C1)CS(C)(=O)=O ZINC000430669221 387638398 /nfs/dbraw/zinc/63/83/98/387638398.db2.gz SSQWJFQLNYDBJG-QWRGUYRKSA-N 2 2 248.392 0.338 20 0 BCADLP C[C@@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)CS(C)(=O)=O ZINC000430669221 387638404 /nfs/dbraw/zinc/63/84/04/387638404.db2.gz SSQWJFQLNYDBJG-QWRGUYRKSA-N 2 2 248.392 0.338 20 0 BCADLP C[C@@H](CNC(=O)C1([NH3+])CC1)Cn1cc[nH+]c1 ZINC000430692113 387639887 /nfs/dbraw/zinc/63/98/87/387639887.db2.gz LQNBUNUJGSNTAH-VIFPVBQESA-N 2 2 222.292 0.127 20 0 BCADLP C[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])[N@H+](C)C1CC1 ZINC000422738356 387646385 /nfs/dbraw/zinc/64/63/85/387646385.db2.gz JOIBROQQBKTSFF-USWWRNFRSA-N 3 2 211.353 0.939 20 0 BCADLP C[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])[N@@H+](C)C1CC1 ZINC000422738356 387646388 /nfs/dbraw/zinc/64/63/88/387646388.db2.gz JOIBROQQBKTSFF-USWWRNFRSA-N 3 2 211.353 0.939 20 0 BCADLP O=C([C@H]1CC[NH2+]C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000430771937 387649279 /nfs/dbraw/zinc/64/92/79/387649279.db2.gz HUIXGCBBPYUWHG-NSHDSACASA-N 2 2 248.330 0.725 20 0 BCADLP O=C([C@H]1CC[NH2+]C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000430771937 387649284 /nfs/dbraw/zinc/64/92/84/387649284.db2.gz HUIXGCBBPYUWHG-NSHDSACASA-N 2 2 248.330 0.725 20 0 BCADLP Cc1cc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)cc[nH+]1 ZINC000362799703 387660118 /nfs/dbraw/zinc/66/01/18/387660118.db2.gz WZYBSRNMBDYRFJ-BXKDBHETSA-N 2 2 233.315 0.948 20 0 BCADLP Cc1cc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)cc[nH+]1 ZINC000362799703 387660122 /nfs/dbraw/zinc/66/01/22/387660122.db2.gz WZYBSRNMBDYRFJ-BXKDBHETSA-N 2 2 233.315 0.948 20 0 BCADLP CCCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362824491 387661506 /nfs/dbraw/zinc/66/15/06/387661506.db2.gz AFOVCQPKMHPCTA-LBPRGKRZSA-N 2 2 239.363 0.683 20 0 BCADLP CCCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362824491 387661512 /nfs/dbraw/zinc/66/15/12/387661512.db2.gz AFOVCQPKMHPCTA-LBPRGKRZSA-N 2 2 239.363 0.683 20 0 BCADLP CC(C)C(=O)NCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422756938 387661482 /nfs/dbraw/zinc/66/14/82/387661482.db2.gz MEMLHUPIUMBROS-GHMZBOCLSA-N 2 2 227.352 0.346 20 0 BCADLP COc1coc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1=O ZINC000430927861 387663354 /nfs/dbraw/zinc/66/33/54/387663354.db2.gz JNSFSKHJRQACOS-VIFPVBQESA-N 2 2 238.287 0.429 20 0 BCADLP COc1coc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1=O ZINC000430927861 387663357 /nfs/dbraw/zinc/66/33/57/387663357.db2.gz JNSFSKHJRQACOS-VIFPVBQESA-N 2 2 238.287 0.429 20 0 BCADLP Cc1cnn(CC[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000305991913 387670812 /nfs/dbraw/zinc/67/08/12/387670812.db2.gz FGRYGOHKMAYFSM-QWHCGFSZSA-N 2 2 234.347 0.875 20 0 BCADLP Cc1cnn(CC[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000305991913 387670814 /nfs/dbraw/zinc/67/08/14/387670814.db2.gz FGRYGOHKMAYFSM-QWHCGFSZSA-N 2 2 234.347 0.875 20 0 BCADLP CC(C)[C@H](O)CC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000422779420 387676805 /nfs/dbraw/zinc/67/68/05/387676805.db2.gz IQYNZKPBIOCCHW-FRRDWIJNSA-N 2 2 244.379 0.750 20 0 BCADLP c1cn(CCC[N@@H+]2CCCOCC2)c[nH+]1 ZINC000367695707 387743577 /nfs/dbraw/zinc/74/35/77/387743577.db2.gz GUJYXKXNFQKQPS-UHFFFAOYSA-N 2 2 209.293 0.996 20 0 BCADLP c1cn(CCC[N@H+]2CCCOCC2)c[nH+]1 ZINC000367695707 387743585 /nfs/dbraw/zinc/74/35/85/387743585.db2.gz GUJYXKXNFQKQPS-UHFFFAOYSA-N 2 2 209.293 0.996 20 0 BCADLP C[NH2+]C[C@H](C)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000422832731 387724660 /nfs/dbraw/zinc/72/46/60/387724660.db2.gz VLMABMLNXJEVFE-ZETCQYMHSA-N 2 2 210.281 0.303 20 0 BCADLP C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)[C@H]1CCC[NH2+]1 ZINC000422833127 387726455 /nfs/dbraw/zinc/72/64/55/387726455.db2.gz YLZVFYAZWRVZDY-HBNTYKKESA-N 2 2 225.336 0.337 20 0 BCADLP CO[C@@H](C)[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313272852 387736365 /nfs/dbraw/zinc/73/63/65/387736365.db2.gz RRSWRBMLZGOHON-ZJUUUORDSA-N 2 2 211.309 0.976 20 0 BCADLP CC(C)N1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1=O ZINC000422920448 387775582 /nfs/dbraw/zinc/77/55/82/387775582.db2.gz MBAVMDVMCYXQJV-GRYCIOLGSA-N 2 2 239.363 0.583 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000442650376 387812460 /nfs/dbraw/zinc/81/24/60/387812460.db2.gz PBLDIFYHPHFPFH-STQMWFEESA-N 2 2 241.379 0.520 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000442650376 387812462 /nfs/dbraw/zinc/81/24/62/387812462.db2.gz PBLDIFYHPHFPFH-STQMWFEESA-N 2 2 241.379 0.520 20 0 BCADLP CCn1nncc1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000527918768 387788011 /nfs/dbraw/zinc/78/80/11/387788011.db2.gz DHJVDINMVLHJFO-ZYHUDNBSSA-N 2 2 237.351 0.728 20 0 BCADLP CCn1nncc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000527918768 387788012 /nfs/dbraw/zinc/78/80/12/387788012.db2.gz DHJVDINMVLHJFO-ZYHUDNBSSA-N 2 2 237.351 0.728 20 0 BCADLP CCn1nncc1C[NH2+]C1CC[NH+](CC)CC1 ZINC000527921480 387790227 /nfs/dbraw/zinc/79/02/27/387790227.db2.gz YTEXTCRIYRUVRA-UHFFFAOYSA-N 2 2 237.351 0.872 20 0 BCADLP CCn1ncc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)n1 ZINC000527920792 387790350 /nfs/dbraw/zinc/79/03/50/387790350.db2.gz JKALKZCMLNFSPN-PWSUYJOCSA-N 2 2 237.351 0.728 20 0 BCADLP CCn1ncc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)n1 ZINC000527920792 387790353 /nfs/dbraw/zinc/79/03/53/387790353.db2.gz JKALKZCMLNFSPN-PWSUYJOCSA-N 2 2 237.351 0.728 20 0 BCADLP CC[C@H](CCO)[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422980381 387792062 /nfs/dbraw/zinc/79/20/62/387792062.db2.gz PGDBTXHSGPWLHK-AGIUHOORSA-N 2 2 242.363 0.504 20 0 BCADLP CC(C)N1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1=O ZINC000422982499 387794175 /nfs/dbraw/zinc/79/41/75/387794175.db2.gz QXLBJYISHKPVAM-SRVKXCTJSA-N 2 2 239.363 0.726 20 0 BCADLP CC(C)[C@H](O)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422987122 387795651 /nfs/dbraw/zinc/79/56/51/387795651.db2.gz FIXFIXOYGXNHDD-UPJWGTAASA-N 2 2 242.363 0.360 20 0 BCADLP C[C@@H]([NH2+]Cc1c[nH+]cn1C)C(=O)NC(C)(C)C ZINC000134532191 387809502 /nfs/dbraw/zinc/80/95/02/387809502.db2.gz MUWOCKFMLXDBDN-SECBINFHSA-N 2 2 238.335 0.813 20 0 BCADLP C[NH2+]CCOCC[NH2+][C@@H](C)c1cn[nH]c1C ZINC000629529886 387872899 /nfs/dbraw/zinc/87/28/99/387872899.db2.gz PHKJLINBDRJONV-VIFPVBQESA-N 2 2 226.324 0.605 20 0 BCADLP CC(C)COC[C@H](O)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422970845 387822004 /nfs/dbraw/zinc/82/20/04/387822004.db2.gz HDOKWFGDBYXLRN-JHJVBQTASA-N 2 2 244.379 0.608 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528011679 387823594 /nfs/dbraw/zinc/82/35/94/387823594.db2.gz MSMLMFZCJXTTFN-PWSUYJOCSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528011679 387823598 /nfs/dbraw/zinc/82/35/98/387823598.db2.gz MSMLMFZCJXTTFN-PWSUYJOCSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000423075739 387873238 /nfs/dbraw/zinc/87/32/38/387873238.db2.gz XSYFXSVQYJSBMQ-RYUDHWBXSA-N 3 2 229.368 0.152 20 0 BCADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccncc1 ZINC000442757586 387835797 /nfs/dbraw/zinc/83/57/97/387835797.db2.gz MLXYYLBISNCDMF-WDEREUQCSA-N 2 2 248.330 0.111 20 0 BCADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccncc1 ZINC000442757586 387835799 /nfs/dbraw/zinc/83/57/99/387835799.db2.gz MLXYYLBISNCDMF-WDEREUQCSA-N 2 2 248.330 0.111 20 0 BCADLP Cc1cnc(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)nc1 ZINC000423017341 387840676 /nfs/dbraw/zinc/84/06/76/387840676.db2.gz WBVLNCKFXNFQFO-NWDGAFQWSA-N 2 2 234.347 0.915 20 0 BCADLP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000423037157 387851641 /nfs/dbraw/zinc/85/16/41/387851641.db2.gz VLGQJHAKZAGNLG-AVGNSLFASA-N 3 2 243.395 0.813 20 0 BCADLP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000423037157 387851644 /nfs/dbraw/zinc/85/16/44/387851644.db2.gz VLGQJHAKZAGNLG-AVGNSLFASA-N 3 2 243.395 0.813 20 0 BCADLP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000423037156 387851939 /nfs/dbraw/zinc/85/19/39/387851939.db2.gz VLGQJHAKZAGNLG-AGIUHOORSA-N 3 2 243.395 0.813 20 0 BCADLP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000423037156 387851944 /nfs/dbraw/zinc/85/19/44/387851944.db2.gz VLGQJHAKZAGNLG-AGIUHOORSA-N 3 2 243.395 0.813 20 0 BCADLP COC[C@@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)OC ZINC000423038470 387852627 /nfs/dbraw/zinc/85/26/27/387852627.db2.gz CWQZUZILKJPMAU-IJLUTSLNSA-N 2 2 230.352 0.768 20 0 BCADLP CCOC(=O)[C@@H](CC)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193602355 387855645 /nfs/dbraw/zinc/85/56/45/387855645.db2.gz QJFAVZXSFNEHKS-GRYCIOLGSA-N 2 2 240.347 0.822 20 0 BCADLP CCOC(=O)[C@@H](CC)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193602355 387855652 /nfs/dbraw/zinc/85/56/52/387855652.db2.gz QJFAVZXSFNEHKS-GRYCIOLGSA-N 2 2 240.347 0.822 20 0 BCADLP CCOC(=O)[C@@H](CC)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193602355 387855659 /nfs/dbraw/zinc/85/56/59/387855659.db2.gz QJFAVZXSFNEHKS-GRYCIOLGSA-N 2 2 240.347 0.822 20 0 BCADLP CCOC(=O)[C@@H](CC)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193602355 387855667 /nfs/dbraw/zinc/85/56/67/387855667.db2.gz QJFAVZXSFNEHKS-GRYCIOLGSA-N 2 2 240.347 0.822 20 0 BCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193634073 387858908 /nfs/dbraw/zinc/85/89/08/387858908.db2.gz SOTDLPHCWFSOJN-SDDRHHMPSA-N 2 2 239.363 0.395 20 0 BCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193634073 387858914 /nfs/dbraw/zinc/85/89/14/387858914.db2.gz SOTDLPHCWFSOJN-SDDRHHMPSA-N 2 2 239.363 0.395 20 0 BCADLP CCCNC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193634073 387858917 /nfs/dbraw/zinc/85/89/17/387858917.db2.gz SOTDLPHCWFSOJN-SDDRHHMPSA-N 2 2 239.363 0.395 20 0 BCADLP CCCNC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193634073 387858920 /nfs/dbraw/zinc/85/89/20/387858920.db2.gz SOTDLPHCWFSOJN-SDDRHHMPSA-N 2 2 239.363 0.395 20 0 BCADLP CCN(C)C(=O)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423052774 387860331 /nfs/dbraw/zinc/86/03/31/387860331.db2.gz QLRQHGQXXUSVNR-UWVGGRQHSA-N 2 2 213.325 0.052 20 0 BCADLP CCC[N@H+](C)CC(=O)NCc1[nH+]ccn1CC ZINC000452577197 387862057 /nfs/dbraw/zinc/86/20/57/387862057.db2.gz WLAQIYCTACYXLQ-UHFFFAOYSA-N 2 2 238.335 0.861 20 0 BCADLP CCC[N@@H+](C)CC(=O)NCc1[nH+]ccn1CC ZINC000452577197 387862065 /nfs/dbraw/zinc/86/20/65/387862065.db2.gz WLAQIYCTACYXLQ-UHFFFAOYSA-N 2 2 238.335 0.861 20 0 BCADLP C[C@@H]([NH3+])CCC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424171906 387862530 /nfs/dbraw/zinc/86/25/30/387862530.db2.gz CMXNRGQFADEZDG-RKDXNWHRSA-N 2 2 249.305 0.475 20 0 BCADLP C[C@H]([NH3+])CC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424172279 387864460 /nfs/dbraw/zinc/86/44/60/387864460.db2.gz LLWKTJRRKZJYEN-YUMQZZPRSA-N 2 2 235.278 0.085 20 0 BCADLP CC(C)C(=O)NC[C@@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000442659135 387815087 /nfs/dbraw/zinc/81/50/87/387815087.db2.gz KJDHGZHDMOHEPE-RYUDHWBXSA-N 2 2 241.379 0.818 20 0 BCADLP CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000442659135 387815091 /nfs/dbraw/zinc/81/50/91/387815091.db2.gz KJDHGZHDMOHEPE-RYUDHWBXSA-N 2 2 241.379 0.818 20 0 BCADLP CC(C)OCCOC[C@@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC000442662197 387817476 /nfs/dbraw/zinc/81/74/76/387817476.db2.gz HBEKHLJRDZTSHX-RYUDHWBXSA-N 2 2 248.367 0.068 20 0 BCADLP CC(C)OCCOC[C@@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC000442662197 387817479 /nfs/dbraw/zinc/81/74/79/387817479.db2.gz HBEKHLJRDZTSHX-RYUDHWBXSA-N 2 2 248.367 0.068 20 0 BCADLP C[NH2+]CCCC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424180159 387891259 /nfs/dbraw/zinc/89/12/59/387891259.db2.gz UVZJABSCQNVTLO-SECBINFHSA-N 2 2 249.305 0.347 20 0 BCADLP C[N@H+](CCC[NH+]1CCCCC1)[C@@H]1CCNC1=O ZINC000444616952 387893313 /nfs/dbraw/zinc/89/33/13/387893313.db2.gz KKNDHABUMJWPDE-GFCCVEGCSA-N 2 2 239.363 0.683 20 0 BCADLP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCNC1=O ZINC000444616952 387893318 /nfs/dbraw/zinc/89/33/18/387893318.db2.gz KKNDHABUMJWPDE-GFCCVEGCSA-N 2 2 239.363 0.683 20 0 BCADLP CC[C@@H]([NH2+][C@H](C)C(=O)NCCF)[C@@H]1CCC[NH2+]1 ZINC000423113759 387896747 /nfs/dbraw/zinc/89/67/47/387896747.db2.gz LEMGHHWNVNOUDC-MXWKQRLJSA-N 2 2 245.342 0.581 20 0 BCADLP COC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000423089370 387880652 /nfs/dbraw/zinc/88/06/52/387880652.db2.gz UYSFTHRGUUZOJY-QNWHQSFQSA-N 2 2 242.363 0.911 20 0 BCADLP COC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000423089367 387881597 /nfs/dbraw/zinc/88/15/97/387881597.db2.gz UYSFTHRGUUZOJY-FVCCEPFGSA-N 2 2 242.363 0.911 20 0 BCADLP CC[C@@H]1C[N@H+](CCN[C@@H]2CC[NH2+]C2)CCO1 ZINC000423091155 387883106 /nfs/dbraw/zinc/88/31/06/387883106.db2.gz WVFYNNZUIGZXCN-VXGBXAGGSA-N 2 2 227.352 0.049 20 0 BCADLP CC[C@@H]1C[N@@H+](CCN[C@@H]2CC[NH2+]C2)CCO1 ZINC000423091155 387883107 /nfs/dbraw/zinc/88/31/07/387883107.db2.gz WVFYNNZUIGZXCN-VXGBXAGGSA-N 2 2 227.352 0.049 20 0 BCADLP CC[C@@H]1CN(CC[NH2+][C@@H]2CC[NH2+]C2)CCO1 ZINC000423091155 387883109 /nfs/dbraw/zinc/88/31/09/387883109.db2.gz WVFYNNZUIGZXCN-VXGBXAGGSA-N 2 2 227.352 0.049 20 0 BCADLP Cc1cncc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000313353243 387886783 /nfs/dbraw/zinc/88/67/83/387886783.db2.gz PJPSJCFKYSXBTQ-ZDUSSCGKSA-N 2 2 235.331 0.940 20 0 BCADLP Cc1cncc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000313353243 387886787 /nfs/dbraw/zinc/88/67/87/387886787.db2.gz PJPSJCFKYSXBTQ-ZDUSSCGKSA-N 2 2 235.331 0.940 20 0 BCADLP C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)[C@@H]1CCCC[NH2+]1 ZINC000423116769 387899362 /nfs/dbraw/zinc/89/93/62/387899362.db2.gz RLLLHZCWECUNLI-VWYCJHECSA-N 2 2 245.342 0.581 20 0 BCADLP O=C1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)[C@H]2CCCCN12 ZINC000423116797 387899432 /nfs/dbraw/zinc/89/94/32/387899432.db2.gz ROWXUVVSIOMYNQ-OUAUKWLOSA-N 2 2 223.320 0.091 20 0 BCADLP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424187983 387907912 /nfs/dbraw/zinc/90/79/12/387907912.db2.gz JCOMMLSKTUBGAM-CIUDSAMLSA-N 2 2 249.305 0.331 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000423135729 387914746 /nfs/dbraw/zinc/91/47/46/387914746.db2.gz GJIOUQWIQSFBDN-QCNOEVLYSA-N 2 2 230.352 0.766 20 0 BCADLP CCN1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1=O ZINC000423156314 387933926 /nfs/dbraw/zinc/93/39/26/387933926.db2.gz SALOEQVGNTXRHA-GMTAPVOTSA-N 2 2 225.336 0.195 20 0 BCADLP CCN1C[C@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)CC1=O ZINC000423154923 387934201 /nfs/dbraw/zinc/93/42/01/387934201.db2.gz PPVZSKFQNDOZGJ-VHSXEESVSA-N 2 2 248.330 0.766 20 0 BCADLP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000423144166 387921181 /nfs/dbraw/zinc/92/11/81/387921181.db2.gz GFFBCMLRKMNGDE-QWHCGFSZSA-N 3 2 243.395 0.550 20 0 BCADLP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000423144166 387921184 /nfs/dbraw/zinc/92/11/84/387921184.db2.gz GFFBCMLRKMNGDE-QWHCGFSZSA-N 3 2 243.395 0.550 20 0 BCADLP Cc1cc(CNC(=O)[C@H]2COCC[NH2+]2)cc(C)[nH+]1 ZINC000424196312 387922653 /nfs/dbraw/zinc/92/26/53/387922653.db2.gz FQGWNYSJLIBHKG-GFCCVEGCSA-N 2 2 249.314 0.303 20 0 BCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1CCCO1 ZINC000423163893 387939448 /nfs/dbraw/zinc/93/94/48/387939448.db2.gz WBNMYBCBMQGFOT-SDDRHHMPSA-N 2 2 228.336 0.522 20 0 BCADLP CC[C@H]([NH2+][C@@H]1CC(=O)N(CC)C1)[C@@H]1CCC[NH2+]1 ZINC000423160613 387940357 /nfs/dbraw/zinc/94/03/57/387940357.db2.gz ZWSSHLVEVTYIOM-WOPDTQHZSA-N 2 2 239.363 0.727 20 0 BCADLP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2COCC[NH2+]2)c1 ZINC000424240972 387942132 /nfs/dbraw/zinc/94/21/32/387942132.db2.gz NQPRWASFBVBHRK-GFCCVEGCSA-N 2 2 249.314 0.381 20 0 BCADLP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000423164371 387947585 /nfs/dbraw/zinc/94/75/85/387947585.db2.gz OHMMLCMLBAZOIT-ZDEQEGDKSA-N 2 2 242.363 0.911 20 0 BCADLP CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423172302 387959552 /nfs/dbraw/zinc/95/95/52/387959552.db2.gz SCYLLHNDEXJXEF-ZRUFSTJUSA-N 2 2 214.309 0.130 20 0 BCADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423179958 387965838 /nfs/dbraw/zinc/96/58/38/387965838.db2.gz DOVLZUBZBZMOAL-NWDGAFQWSA-N 2 2 241.379 0.975 20 0 BCADLP CC(C)N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1=O ZINC000424337489 387980548 /nfs/dbraw/zinc/98/05/48/387980548.db2.gz RYOWAJRTIHARRT-UTUOFQBUSA-N 2 2 239.363 0.855 20 0 BCADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000423202729 387989921 /nfs/dbraw/zinc/98/99/21/387989921.db2.gz LDKKKSMTMHWUCD-WDEREUQCSA-N 2 2 227.352 0.585 20 0 BCADLP COc1ccnc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])n1 ZINC000424368476 387992076 /nfs/dbraw/zinc/99/20/76/387992076.db2.gz BITAXLIZZBHKTB-RKDXNWHRSA-N 2 2 224.308 0.701 20 0 BCADLP CCOC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252755500 135107619 /nfs/dbraw/zinc/10/76/19/135107619.db2.gz BKHMNGAAFPBPON-DTWKUNHWSA-N 2 2 200.282 0.219 20 0 BCADLP CCOC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252755500 135107621 /nfs/dbraw/zinc/10/76/21/135107621.db2.gz BKHMNGAAFPBPON-DTWKUNHWSA-N 2 2 200.282 0.219 20 0 BCADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423215328 387998079 /nfs/dbraw/zinc/99/80/79/387998079.db2.gz QJWMBNUWWYDFLR-SDDRHHMPSA-N 3 2 211.353 0.716 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423215331 387998147 /nfs/dbraw/zinc/99/81/47/387998147.db2.gz QJWMBNUWWYDFLR-UTUOFQBUSA-N 3 2 211.353 0.716 20 0 BCADLP C[C@@H]1C[C@H]1C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424383874 388000803 /nfs/dbraw/zinc/00/08/03/388000803.db2.gz UQUZBIZDGDTXSA-RSLMWUCJSA-N 2 2 234.347 0.803 20 0 BCADLP C[C@@H]1C[C@H]1C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424383874 388000805 /nfs/dbraw/zinc/00/08/05/388000805.db2.gz UQUZBIZDGDTXSA-RSLMWUCJSA-N 2 2 234.347 0.803 20 0 BCADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000423225471 388008290 /nfs/dbraw/zinc/00/82/90/388008290.db2.gz MWWVQDZRGLVLLN-SNVBAGLBSA-N 2 2 246.318 0.532 20 0 BCADLP COCC[N@H+](C)CCN[C@H]1CC[NH+](C)C[C@H]1C ZINC000159356697 388009882 /nfs/dbraw/zinc/00/98/82/388009882.db2.gz OQQPITJIDSLWRF-OLZOCXBDSA-N 2 2 243.395 0.494 20 0 BCADLP CC[C@H](C(N)=O)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246164385 388015121 /nfs/dbraw/zinc/01/51/21/388015121.db2.gz OTGRPABLCJZRAA-WDEREUQCSA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246164385 388015128 /nfs/dbraw/zinc/01/51/28/388015128.db2.gz OTGRPABLCJZRAA-WDEREUQCSA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@H](C(N)=O)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246164385 388015130 /nfs/dbraw/zinc/01/51/30/388015130.db2.gz OTGRPABLCJZRAA-WDEREUQCSA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@H](C(N)=O)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246164385 388015133 /nfs/dbraw/zinc/01/51/33/388015133.db2.gz OTGRPABLCJZRAA-WDEREUQCSA-N 2 2 227.352 0.524 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246216782 388019934 /nfs/dbraw/zinc/01/99/34/388019934.db2.gz PVGBRRRRBOZFOL-RYUDHWBXSA-N 2 2 239.363 0.668 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246216782 388019937 /nfs/dbraw/zinc/01/99/37/388019937.db2.gz PVGBRRRRBOZFOL-RYUDHWBXSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CCCn1cc[nH+]c1 ZINC000066147796 388022938 /nfs/dbraw/zinc/02/29/38/388022938.db2.gz LFLXWTXDNQRZTM-SECBINFHSA-N 2 2 210.281 0.127 20 0 BCADLP C=Cn1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cn1 ZINC000446755950 388036573 /nfs/dbraw/zinc/03/65/73/388036573.db2.gz AVNRCNCSFXMKPW-LBPRGKRZSA-N 2 2 236.319 0.140 20 0 BCADLP C=Cn1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cn1 ZINC000446755950 388036577 /nfs/dbraw/zinc/03/65/77/388036577.db2.gz AVNRCNCSFXMKPW-LBPRGKRZSA-N 2 2 236.319 0.140 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254770 388036873 /nfs/dbraw/zinc/03/68/73/388036873.db2.gz ZJBAUUPREIVOLS-GRYCIOLGSA-N 3 2 211.353 0.526 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254770 388036877 /nfs/dbraw/zinc/03/68/77/388036877.db2.gz ZJBAUUPREIVOLS-GRYCIOLGSA-N 3 2 211.353 0.526 20 0 BCADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CN(C)C[C@H]1C ZINC000423262669 388040281 /nfs/dbraw/zinc/04/02/81/388040281.db2.gz NCRRWYYDAUMBJU-UTUOFQBUSA-N 2 2 213.369 0.900 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246304323 388030072 /nfs/dbraw/zinc/03/00/72/388030072.db2.gz JIHUBZGMNZPTHX-QWRGUYRKSA-N 2 2 227.352 0.347 20 0 BCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246304323 388030076 /nfs/dbraw/zinc/03/00/76/388030076.db2.gz JIHUBZGMNZPTHX-QWRGUYRKSA-N 2 2 227.352 0.347 20 0 BCADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)[C@@H](O)C(F)F ZINC000453266007 388030473 /nfs/dbraw/zinc/03/04/73/388030473.db2.gz DTJQMMNIENDQDT-UTINFBMNSA-N 2 2 236.306 0.931 20 0 BCADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)[C@@H](O)C(F)F ZINC000453266007 388030478 /nfs/dbraw/zinc/03/04/78/388030478.db2.gz DTJQMMNIENDQDT-UTINFBMNSA-N 2 2 236.306 0.931 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1COCC1(C)C ZINC000453355324 388056192 /nfs/dbraw/zinc/05/61/92/388056192.db2.gz IIUGKMQSKXHXSK-VWYCJHECSA-N 2 2 212.337 0.951 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1COCC1(C)C ZINC000453355324 388056194 /nfs/dbraw/zinc/05/61/94/388056194.db2.gz IIUGKMQSKXHXSK-VWYCJHECSA-N 2 2 212.337 0.951 20 0 BCADLP C[C@@H]([NH3+])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000083935535 388068530 /nfs/dbraw/zinc/06/85/30/388068530.db2.gz DHLRQCLJABLRHN-SECBINFHSA-N 2 2 236.319 0.225 20 0 BCADLP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H](C[NH3+])C1CC1 ZINC000423285485 388068796 /nfs/dbraw/zinc/06/87/96/388068796.db2.gz YFXVYQBXCNSFPF-OASPWFOLSA-N 2 2 223.364 0.796 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000447601709 388080864 /nfs/dbraw/zinc/08/08/64/388080864.db2.gz QUVVUZDEBHDREV-ZYHUDNBSSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000447601709 388080867 /nfs/dbraw/zinc/08/08/67/388080867.db2.gz QUVVUZDEBHDREV-ZYHUDNBSSA-N 2 2 239.363 0.857 20 0 BCADLP CO[C@H](C)CC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000336660033 388087412 /nfs/dbraw/zinc/08/74/12/388087412.db2.gz BAGJCPCHAQHLET-UTUOFQBUSA-N 2 2 230.352 0.768 20 0 BCADLP CC(C)[NH2+]C1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC000118970930 388100989 /nfs/dbraw/zinc/10/09/89/388100989.db2.gz DZYPRSDTZIOENL-NSHDSACASA-N 2 2 241.379 0.926 20 0 BCADLP CC(C)[NH2+]C1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC000118971044 388101035 /nfs/dbraw/zinc/10/10/35/388101035.db2.gz DZYPRSDTZIOENL-LLVKDONJSA-N 2 2 241.379 0.926 20 0 BCADLP O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1C[NH2+]CCO1 ZINC000645976175 388112487 /nfs/dbraw/zinc/11/24/87/388112487.db2.gz DDUZTRPDUPNYTI-JTQLQIEISA-N 2 2 246.270 0.261 20 0 BCADLP COC(=O)COC[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000449217666 388158573 /nfs/dbraw/zinc/15/85/73/388158573.db2.gz AUVDMCXXZIMUBY-NSHDSACASA-N 2 2 244.335 0.250 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000449247063 388161867 /nfs/dbraw/zinc/16/18/67/388161867.db2.gz DUVIKHBHBXSOMW-IJLUTSLNSA-N 2 2 230.352 0.456 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000449247063 388161869 /nfs/dbraw/zinc/16/18/69/388161869.db2.gz DUVIKHBHBXSOMW-IJLUTSLNSA-N 2 2 230.352 0.456 20 0 BCADLP CC[NH+](CC)CC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646261323 388171666 /nfs/dbraw/zinc/17/16/66/388171666.db2.gz CMTRQVNBGVKKBW-UHFFFAOYSA-N 2 2 236.319 0.636 20 0 BCADLP CC[NH+](CC)CC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646261323 388171669 /nfs/dbraw/zinc/17/16/69/388171669.db2.gz CMTRQVNBGVKKBW-UHFFFAOYSA-N 2 2 236.319 0.636 20 0 BCADLP C[NH2+]CCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265225 388172892 /nfs/dbraw/zinc/17/28/92/388172892.db2.gz OZPOKRQDHBGBSV-LLVKDONJSA-N 2 2 248.330 0.386 20 0 BCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000646046053 388131855 /nfs/dbraw/zinc/13/18/55/388131855.db2.gz CACRFWLIWFASFR-NXEZZACHSA-N 2 2 222.292 0.414 20 0 BCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000646046053 388131857 /nfs/dbraw/zinc/13/18/57/388131857.db2.gz CACRFWLIWFASFR-NXEZZACHSA-N 2 2 222.292 0.414 20 0 BCADLP CCc1nocc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000646105452 388143059 /nfs/dbraw/zinc/14/30/59/388143059.db2.gz WXFNSOUTMATHRJ-UWVGGRQHSA-N 2 2 221.304 0.888 20 0 BCADLP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449392343 388192723 /nfs/dbraw/zinc/19/27/23/388192723.db2.gz JWHGTSQQLYXULC-XQQFMLRXSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449392343 388192727 /nfs/dbraw/zinc/19/27/27/388192727.db2.gz JWHGTSQQLYXULC-XQQFMLRXSA-N 2 2 242.363 0.600 20 0 BCADLP CCOC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449396573 388194390 /nfs/dbraw/zinc/19/43/90/388194390.db2.gz SHNPKRRKSKPSOX-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP CCOC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449396573 388194391 /nfs/dbraw/zinc/19/43/91/388194391.db2.gz SHNPKRRKSKPSOX-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)C[NH+](C)C ZINC000456355669 388196804 /nfs/dbraw/zinc/19/68/04/388196804.db2.gz QLBLSFTYUYOWAW-LLVKDONJSA-N 2 2 227.352 0.491 20 0 BCADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C[NH+](C)C ZINC000456355669 388196806 /nfs/dbraw/zinc/19/68/06/388196806.db2.gz QLBLSFTYUYOWAW-LLVKDONJSA-N 2 2 227.352 0.491 20 0 BCADLP [NH3+]CCCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000169810866 256594047 /nfs/dbraw/zinc/59/40/47/256594047.db2.gz LOCJCODXLPGMTP-UHFFFAOYSA-N 2 2 236.319 0.855 20 0 BCADLP C[NH2+]CC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000516568532 388349145 /nfs/dbraw/zinc/34/91/45/388349145.db2.gz KFRFSENRDBILSM-SECBINFHSA-N 2 2 210.281 0.442 20 0 BCADLP C[C@@](C[NH3+])([NH2+]CC(=O)N1CCCC1)C1CC1 ZINC000516571211 388350009 /nfs/dbraw/zinc/35/00/09/388350009.db2.gz XBPCTOIELYFIOK-LBPRGKRZSA-N 2 2 225.336 0.326 20 0 BCADLP CC1(C)C[NH2+][C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000646441093 388359618 /nfs/dbraw/zinc/35/96/18/388359618.db2.gz ZMQDSKQRRMONQM-SECBINFHSA-N 2 2 222.292 0.066 20 0 BCADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCNC(=O)C1 ZINC000300368238 388362472 /nfs/dbraw/zinc/36/24/72/388362472.db2.gz PUKRODVNGULJCU-QWRGUYRKSA-N 2 2 225.336 0.339 20 0 BCADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCNC(=O)C1 ZINC000300368238 388362474 /nfs/dbraw/zinc/36/24/74/388362474.db2.gz PUKRODVNGULJCU-QWRGUYRKSA-N 2 2 225.336 0.339 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1C(N)=O ZINC000163692261 388366212 /nfs/dbraw/zinc/36/62/12/388366212.db2.gz HBDZGHMRDFRMAH-VXGBXAGGSA-N 2 2 239.363 0.811 20 0 BCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1C(N)=O ZINC000163692261 388366214 /nfs/dbraw/zinc/36/62/14/388366214.db2.gz HBDZGHMRDFRMAH-VXGBXAGGSA-N 2 2 239.363 0.811 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000163692261 388366217 /nfs/dbraw/zinc/36/62/17/388366217.db2.gz HBDZGHMRDFRMAH-VXGBXAGGSA-N 2 2 239.363 0.811 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1C(N)=O ZINC000163692261 388366219 /nfs/dbraw/zinc/36/62/19/388366219.db2.gz HBDZGHMRDFRMAH-VXGBXAGGSA-N 2 2 239.363 0.811 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000164367346 388378193 /nfs/dbraw/zinc/37/81/93/388378193.db2.gz SHFILEDQWYNWOW-RKDXNWHRSA-N 2 2 224.308 0.362 20 0 BCADLP [NH3+]CC[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000572842546 388380532 /nfs/dbraw/zinc/38/05/32/388380532.db2.gz HQLMRUIVGQVRRA-NWDGAFQWSA-N 3 2 227.352 0.163 20 0 BCADLP CC1(C)C[NH+](CC(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000572897031 388386020 /nfs/dbraw/zinc/38/60/20/388386020.db2.gz BUTFKTMTZBAWMZ-UHFFFAOYSA-N 2 2 236.319 0.410 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnn(C)n1 ZINC000294232698 388396516 /nfs/dbraw/zinc/39/65/16/388396516.db2.gz SWHTUPJBVRYODK-VIFPVBQESA-N 2 2 220.280 0.190 20 0 BCADLP C[C@H](O)C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308634934 388446466 /nfs/dbraw/zinc/44/64/66/388446466.db2.gz MJFDYSVMXJQEAE-JTQLQIEISA-N 2 2 200.326 0.831 20 0 BCADLP C[C@H](C(=O)N(C)C)[NH+]1CCC([NH+](C)C)CC1 ZINC000193806065 388449887 /nfs/dbraw/zinc/44/98/87/388449887.db2.gz OKOZQNQVRITPHK-SNVBAGLBSA-N 2 2 227.352 0.489 20 0 BCADLP Cc1c[nH]nc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000335449216 388450445 /nfs/dbraw/zinc/45/04/45/388450445.db2.gz YRAURVBYUHNXOJ-AOOOYVTPSA-N 2 2 206.293 0.369 20 0 BCADLP Cc1c[nH]nc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000335449216 388450447 /nfs/dbraw/zinc/45/04/47/388450447.db2.gz YRAURVBYUHNXOJ-AOOOYVTPSA-N 2 2 206.293 0.369 20 0 BCADLP CC(C)[C@@H](CO)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000394098121 388450419 /nfs/dbraw/zinc/45/04/19/388450419.db2.gz SARJPVALYLRHLH-JHJVBQTASA-N 2 2 244.379 0.608 20 0 BCADLP Cc1ccc(CCC[NH2+]C2(C(N)=O)CC2)c[nH+]1 ZINC000525992098 388452704 /nfs/dbraw/zinc/45/27/04/388452704.db2.gz PRCMYGTUYLZMKS-UHFFFAOYSA-N 2 2 233.315 0.930 20 0 BCADLP C[C@H](C[NH2+]Cc1cn(C)nn1)C[NH+](C)C ZINC000336708011 388465261 /nfs/dbraw/zinc/46/52/61/388465261.db2.gz SDWRLRIQPPLOGI-SECBINFHSA-N 2 2 211.313 0.102 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H](O)C1CCC1 ZINC000316798943 388421632 /nfs/dbraw/zinc/42/16/32/388421632.db2.gz RUOVTJQELVEJMK-RTXFEEFZSA-N 2 2 242.363 0.504 20 0 BCADLP C[C@H](CC(=O)NCCCC[NH3+])n1cc[nH+]c1 ZINC000573215872 388432996 /nfs/dbraw/zinc/43/29/96/388432996.db2.gz FYAIUKBAQVKHOY-SNVBAGLBSA-N 2 2 224.308 0.689 20 0 BCADLP C[C@@H]1[C@H](C(=O)N2CCn3c[nH+]cc3C2)CC[N@@H+]1C ZINC000648908996 388488057 /nfs/dbraw/zinc/48/80/57/388488057.db2.gz ZOOHNQACVFSWLE-ZYHUDNBSSA-N 2 2 248.330 0.566 20 0 BCADLP C[C@@H]1[C@H](C(=O)N2CCn3c[nH+]cc3C2)CC[N@H+]1C ZINC000648908996 388488059 /nfs/dbraw/zinc/48/80/59/388488059.db2.gz ZOOHNQACVFSWLE-ZYHUDNBSSA-N 2 2 248.330 0.566 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000342716608 388498761 /nfs/dbraw/zinc/49/87/61/388498761.db2.gz DCMFTBLLXHYIPJ-UWVGGRQHSA-N 2 2 236.319 0.457 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000347059598 388521502 /nfs/dbraw/zinc/52/15/02/388521502.db2.gz XKJCDSQSNRVYBA-SECBINFHSA-N 2 2 221.304 0.565 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000347059598 388521503 /nfs/dbraw/zinc/52/15/03/388521503.db2.gz XKJCDSQSNRVYBA-SECBINFHSA-N 2 2 221.304 0.565 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnnn2C)C1 ZINC000347049077 388521559 /nfs/dbraw/zinc/52/15/59/388521559.db2.gz PRBJUBZWDINLNC-ZJUUUORDSA-N 2 2 223.324 0.374 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnnn2C)C1 ZINC000347049077 388521561 /nfs/dbraw/zinc/52/15/61/388521561.db2.gz PRBJUBZWDINLNC-ZJUUUORDSA-N 2 2 223.324 0.374 20 0 BCADLP C[C@H](CC(=O)N[C@@H](C)[C@H](C)[NH3+])n1cc[nH+]c1 ZINC000516874365 388522049 /nfs/dbraw/zinc/52/20/49/388522049.db2.gz AZCCYDWWWDWTOB-UTLUCORTSA-N 2 2 224.308 0.686 20 0 BCADLP C[C@H](CC(=O)N1CC[C@H]([NH3+])[C@@H]1C)n1cc[nH+]c1 ZINC000517165809 256816556 /nfs/dbraw/zinc/81/65/56/256816556.db2.gz FWBIHVLZDWSYEZ-VWYCJHECSA-N 2 2 236.319 0.782 20 0 BCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000548311857 388528110 /nfs/dbraw/zinc/52/81/10/388528110.db2.gz LDAAITBBUKAGOR-WDEREUQCSA-N 2 2 248.330 0.266 20 0 BCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000548311857 388528112 /nfs/dbraw/zinc/52/81/12/388528112.db2.gz LDAAITBBUKAGOR-WDEREUQCSA-N 2 2 248.330 0.266 20 0 BCADLP Cc1c[nH+]cn1CC(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000528500429 388535668 /nfs/dbraw/zinc/53/56/68/388535668.db2.gz AUODZTHOAJOFJI-NSHDSACASA-N 2 2 236.319 0.354 20 0 BCADLP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000528500429 388535671 /nfs/dbraw/zinc/53/56/71/388535671.db2.gz AUODZTHOAJOFJI-NSHDSACASA-N 2 2 236.319 0.354 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1C[C@@H](O)C(C)(C)C1)C1CC1 ZINC000352349828 388535726 /nfs/dbraw/zinc/53/57/26/388535726.db2.gz NLYIATNZKXPSEW-NWDGAFQWSA-N 2 2 242.363 0.144 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H](O)C(C)(C)C1)C1CC1 ZINC000352349828 388535730 /nfs/dbraw/zinc/53/57/30/388535730.db2.gz NLYIATNZKXPSEW-NWDGAFQWSA-N 2 2 242.363 0.144 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H](O)C(C)(C)C1)C1CC1 ZINC000352349828 388535733 /nfs/dbraw/zinc/53/57/33/388535733.db2.gz NLYIATNZKXPSEW-NWDGAFQWSA-N 2 2 242.363 0.144 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+]1C[C@@H](O)C(C)(C)C1)C1CC1 ZINC000352349828 388535735 /nfs/dbraw/zinc/53/57/35/388535735.db2.gz NLYIATNZKXPSEW-NWDGAFQWSA-N 2 2 242.363 0.144 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1C[C@H](O)C(C)(C)C1)C1CC1 ZINC000352349829 388536064 /nfs/dbraw/zinc/53/60/64/388536064.db2.gz NLYIATNZKXPSEW-RYUDHWBXSA-N 2 2 242.363 0.144 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@H](O)C(C)(C)C1)C1CC1 ZINC000352349829 388536066 /nfs/dbraw/zinc/53/60/66/388536066.db2.gz NLYIATNZKXPSEW-RYUDHWBXSA-N 2 2 242.363 0.144 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@H](O)C(C)(C)C1)C1CC1 ZINC000352349829 388536068 /nfs/dbraw/zinc/53/60/68/388536068.db2.gz NLYIATNZKXPSEW-RYUDHWBXSA-N 2 2 242.363 0.144 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+]1C[C@H](O)C(C)(C)C1)C1CC1 ZINC000352349829 388536069 /nfs/dbraw/zinc/53/60/69/388536069.db2.gz NLYIATNZKXPSEW-RYUDHWBXSA-N 2 2 242.363 0.144 20 0 BCADLP O=C(NCC[NH+]1Cc2ccccc2C1)[C@H]1CC[NH2+]1 ZINC000649306293 388590853 /nfs/dbraw/zinc/59/08/53/388590853.db2.gz KVSMUUUNLDSNOZ-CYBMUJFWSA-N 2 2 245.326 0.480 20 0 BCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000245685463 388597643 /nfs/dbraw/zinc/59/76/43/388597643.db2.gz MVDHGBRWZCTYNS-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC000245685463 388597646 /nfs/dbraw/zinc/59/76/46/388597646.db2.gz MVDHGBRWZCTYNS-RYUDHWBXSA-N 2 2 239.363 0.539 20 0 BCADLP C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000081900948 388597892 /nfs/dbraw/zinc/59/78/92/388597892.db2.gz ZSUQLLDNXFLCMI-QWRGUYRKSA-N 2 2 248.392 0.351 20 0 BCADLP C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000081900948 388597894 /nfs/dbraw/zinc/59/78/94/388597894.db2.gz ZSUQLLDNXFLCMI-QWRGUYRKSA-N 2 2 248.392 0.351 20 0 BCADLP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCNC1=O ZINC000245687745 388598048 /nfs/dbraw/zinc/59/80/48/388598048.db2.gz NTLZXCBNMALYRO-MNOVXSKESA-N 2 2 225.336 0.149 20 0 BCADLP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCNC1=O ZINC000245687745 388598049 /nfs/dbraw/zinc/59/80/49/388598049.db2.gz NTLZXCBNMALYRO-MNOVXSKESA-N 2 2 225.336 0.149 20 0 BCADLP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCNC1=O ZINC000245687745 388598051 /nfs/dbraw/zinc/59/80/51/388598051.db2.gz NTLZXCBNMALYRO-MNOVXSKESA-N 2 2 225.336 0.149 20 0 BCADLP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCNC1=O ZINC000245687745 388598052 /nfs/dbraw/zinc/59/80/52/388598052.db2.gz NTLZXCBNMALYRO-MNOVXSKESA-N 2 2 225.336 0.149 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC000245703027 388599979 /nfs/dbraw/zinc/59/99/79/388599979.db2.gz WEZSSIYXXZJOEJ-QWRGUYRKSA-N 2 2 225.336 0.149 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC000245703027 388599982 /nfs/dbraw/zinc/59/99/82/388599982.db2.gz WEZSSIYXXZJOEJ-QWRGUYRKSA-N 2 2 225.336 0.149 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000245703027 388599984 /nfs/dbraw/zinc/59/99/84/388599984.db2.gz WEZSSIYXXZJOEJ-QWRGUYRKSA-N 2 2 225.336 0.149 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC000245703027 388599986 /nfs/dbraw/zinc/59/99/86/388599986.db2.gz WEZSSIYXXZJOEJ-QWRGUYRKSA-N 2 2 225.336 0.149 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC000550631191 388611162 /nfs/dbraw/zinc/61/11/62/388611162.db2.gz KATGLDITNIPTED-NSHDSACASA-N 2 2 248.330 0.442 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC000550631191 388611164 /nfs/dbraw/zinc/61/11/64/388611164.db2.gz KATGLDITNIPTED-NSHDSACASA-N 2 2 248.330 0.442 20 0 BCADLP CSCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000550636402 388611399 /nfs/dbraw/zinc/61/13/99/388611399.db2.gz MWSHTAOXUSEQSK-UHFFFAOYSA-N 2 2 226.349 0.895 20 0 BCADLP C[C@H](O)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528726688 388563147 /nfs/dbraw/zinc/56/31/47/388563147.db2.gz KMYVMUGHGUHARZ-LBPRGKRZSA-N 2 2 242.363 0.554 20 0 BCADLP CC(=O)NCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000548843367 388564968 /nfs/dbraw/zinc/56/49/68/388564968.db2.gz VPPOWHULZGGONU-UHFFFAOYSA-N 2 2 227.352 0.540 20 0 BCADLP CC(=O)NCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000548843367 388564971 /nfs/dbraw/zinc/56/49/71/388564971.db2.gz VPPOWHULZGGONU-UHFFFAOYSA-N 2 2 227.352 0.540 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(N)=O)[C@H](C)C1 ZINC000081095337 388567615 /nfs/dbraw/zinc/56/76/15/388567615.db2.gz ZAARZDXTJABHGQ-NXEZZACHSA-N 2 2 213.325 0.134 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(N)=O)[C@H](C)C1 ZINC000081095337 388567617 /nfs/dbraw/zinc/56/76/17/388567617.db2.gz ZAARZDXTJABHGQ-NXEZZACHSA-N 2 2 213.325 0.134 20 0 BCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(N)=O)[C@H](C)C1 ZINC000081095337 388567618 /nfs/dbraw/zinc/56/76/18/388567618.db2.gz ZAARZDXTJABHGQ-NXEZZACHSA-N 2 2 213.325 0.134 20 0 BCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(N)=O)[C@H](C)C1 ZINC000081095337 388567620 /nfs/dbraw/zinc/56/76/20/388567620.db2.gz ZAARZDXTJABHGQ-NXEZZACHSA-N 2 2 213.325 0.134 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000224542363 388666506 /nfs/dbraw/zinc/66/65/06/388666506.db2.gz NKZITJUHKLGEJX-OPRDCNLKSA-N 2 2 225.336 0.465 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000224542363 388666508 /nfs/dbraw/zinc/66/65/08/388666508.db2.gz NKZITJUHKLGEJX-OPRDCNLKSA-N 2 2 225.336 0.465 20 0 BCADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000125129573 388668004 /nfs/dbraw/zinc/66/80/04/388668004.db2.gz YGJNPFWBSYFZIZ-GFCCVEGCSA-N 2 2 239.363 0.812 20 0 BCADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000125129573 388668007 /nfs/dbraw/zinc/66/80/07/388668007.db2.gz YGJNPFWBSYFZIZ-GFCCVEGCSA-N 2 2 239.363 0.812 20 0 BCADLP C[NH2+]C1CC[NH+](CCN2CCO[C@H](C)C2)CC1 ZINC000521624524 388620732 /nfs/dbraw/zinc/62/07/32/388620732.db2.gz KEPPYNAJEDKRPJ-GFCCVEGCSA-N 2 2 241.379 0.391 20 0 BCADLP C[C@@H]1C[C@H](NC[C@@H]2COCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000530181252 388622361 /nfs/dbraw/zinc/62/23/61/388622361.db2.gz JFOXUHOAQZFFDM-GRYCIOLGSA-N 2 2 239.363 0.190 20 0 BCADLP C[C@@H]1C[C@H](NC[C@@H]2COCC[NH2+]2)C[N@H+]1C1CC1 ZINC000530181252 388622363 /nfs/dbraw/zinc/62/23/63/388622363.db2.gz JFOXUHOAQZFFDM-GRYCIOLGSA-N 2 2 239.363 0.190 20 0 BCADLP C[C@@H]1C[C@@H](NC[C@@H]2COCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000530181255 388622856 /nfs/dbraw/zinc/62/28/56/388622856.db2.gz JFOXUHOAQZFFDM-IJLUTSLNSA-N 2 2 239.363 0.190 20 0 BCADLP C[C@@H]1C[C@@H](NC[C@@H]2COCC[NH2+]2)C[N@H+]1C1CC1 ZINC000530181255 388622859 /nfs/dbraw/zinc/62/28/59/388622859.db2.gz JFOXUHOAQZFFDM-IJLUTSLNSA-N 2 2 239.363 0.190 20 0 BCADLP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1COCCN1 ZINC000530226898 388635678 /nfs/dbraw/zinc/63/56/78/388635678.db2.gz URYFAGOTDZDNOF-LBPRGKRZSA-N 2 2 239.363 0.191 20 0 BCADLP C(NC1CC[NH+](C2CC2)CC1)[C@H]1COCC[NH2+]1 ZINC000530226898 388635681 /nfs/dbraw/zinc/63/56/81/388635681.db2.gz URYFAGOTDZDNOF-LBPRGKRZSA-N 2 2 239.363 0.191 20 0 BCADLP C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530226308 388635811 /nfs/dbraw/zinc/63/58/11/388635811.db2.gz ZRLFVURNFSCQJY-NXEZZACHSA-N 2 2 246.376 0.294 20 0 BCADLP CCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000246471721 388637813 /nfs/dbraw/zinc/63/78/13/388637813.db2.gz FYQLVRDUWZWKLQ-VXGBXAGGSA-N 2 2 241.379 0.785 20 0 BCADLP CCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000246471721 388637816 /nfs/dbraw/zinc/63/78/16/388637816.db2.gz FYQLVRDUWZWKLQ-VXGBXAGGSA-N 2 2 241.379 0.785 20 0 BCADLP CCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000246471721 388637817 /nfs/dbraw/zinc/63/78/17/388637817.db2.gz FYQLVRDUWZWKLQ-VXGBXAGGSA-N 2 2 241.379 0.785 20 0 BCADLP CCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000246471721 388637820 /nfs/dbraw/zinc/63/78/20/388637820.db2.gz FYQLVRDUWZWKLQ-VXGBXAGGSA-N 2 2 241.379 0.785 20 0 BCADLP Cn1cnnc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246806072 388652761 /nfs/dbraw/zinc/65/27/61/388652761.db2.gz JGSJRDOFFLVKCC-RYUDHWBXSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cnnc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246806072 388652764 /nfs/dbraw/zinc/65/27/64/388652764.db2.gz JGSJRDOFFLVKCC-RYUDHWBXSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cnnc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246806072 388652765 /nfs/dbraw/zinc/65/27/65/388652765.db2.gz JGSJRDOFFLVKCC-RYUDHWBXSA-N 2 2 249.362 0.731 20 0 BCADLP Cn1cnnc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246806072 388652768 /nfs/dbraw/zinc/65/27/68/388652768.db2.gz JGSJRDOFFLVKCC-RYUDHWBXSA-N 2 2 249.362 0.731 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCNC2=O)CC[N@@H+]1C ZINC000246859980 388653617 /nfs/dbraw/zinc/65/36/17/388653617.db2.gz CZDIGMIIPNNGNR-WOPDTQHZSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCNC2=O)CC[N@H+]1C ZINC000246859980 388653620 /nfs/dbraw/zinc/65/36/20/388653620.db2.gz CZDIGMIIPNNGNR-WOPDTQHZSA-N 2 2 239.363 0.727 20 0 BCADLP CCn1nccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194541161 388735035 /nfs/dbraw/zinc/73/50/35/388735035.db2.gz ONKRKQKBTNQWIO-TXEJJXNPSA-N 2 2 234.347 0.896 20 0 BCADLP CCn1nccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194541161 388735038 /nfs/dbraw/zinc/73/50/38/388735038.db2.gz ONKRKQKBTNQWIO-TXEJJXNPSA-N 2 2 234.347 0.896 20 0 BCADLP CCn1nccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194541161 388735040 /nfs/dbraw/zinc/73/50/40/388735040.db2.gz ONKRKQKBTNQWIO-TXEJJXNPSA-N 2 2 234.347 0.896 20 0 BCADLP CCn1nccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000194541161 388735043 /nfs/dbraw/zinc/73/50/43/388735043.db2.gz ONKRKQKBTNQWIO-TXEJJXNPSA-N 2 2 234.347 0.896 20 0 BCADLP C[C@@H]([NH2+][C@@H](C)C[NH+](C)C)[C@@H]1CCOC1 ZINC000229642964 388798634 /nfs/dbraw/zinc/79/86/34/388798634.db2.gz SLUJQTUAWCSIST-HBNTYKKESA-N 2 2 200.326 0.951 20 0 BCADLP C[C@H](CO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000252708922 388772500 /nfs/dbraw/zinc/77/25/00/388772500.db2.gz BMAHGAKWGRBMIQ-GARJFASQSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H](CO)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000252708922 388772504 /nfs/dbraw/zinc/77/25/04/388772504.db2.gz BMAHGAKWGRBMIQ-GARJFASQSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@H](C(=O)N1CCn2cc[nH+]c2C1)[NH+]1CC(C)C1 ZINC000564224554 388784868 /nfs/dbraw/zinc/78/48/68/388784868.db2.gz MRRCLSYHDOHILG-LLVKDONJSA-N 2 2 248.330 0.566 20 0 BCADLP Cn1c[nH+]cc1Cc1nc(C2([NH3+])CCC2)no1 ZINC000564959877 388903200 /nfs/dbraw/zinc/90/32/00/388903200.db2.gz MWCRAZQSHUDXKZ-UHFFFAOYSA-N 2 2 233.275 0.732 20 0 BCADLP COc1ccnc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)n1 ZINC000564840991 388893032 /nfs/dbraw/zinc/89/30/32/388893032.db2.gz LIFGDPGIOCRPIQ-UWVGGRQHSA-N 2 2 236.319 0.573 20 0 BCADLP C[C@H](O)[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000564868190 388895601 /nfs/dbraw/zinc/89/56/01/388895601.db2.gz DECNJYROVSEIOV-XHNCKOQMSA-N 2 2 209.293 0.626 20 0 BCADLP C[C@H](O)[C@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000564868190 388895603 /nfs/dbraw/zinc/89/56/03/388895603.db2.gz DECNJYROVSEIOV-XHNCKOQMSA-N 2 2 209.293 0.626 20 0 BCADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@H](C)O ZINC000564868188 388896125 /nfs/dbraw/zinc/89/61/25/388896125.db2.gz DECNJYROVSEIOV-VGMNWLOBSA-N 2 2 209.293 0.626 20 0 BCADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)[C@H](C)O ZINC000564868188 388896127 /nfs/dbraw/zinc/89/61/27/388896127.db2.gz DECNJYROVSEIOV-VGMNWLOBSA-N 2 2 209.293 0.626 20 0 BCADLP C[NH+](C)CC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000564949529 388900270 /nfs/dbraw/zinc/90/02/70/388900270.db2.gz YTRBJSHISBYSLV-GFCCVEGCSA-N 2 2 248.330 0.116 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC000129926303 388875893 /nfs/dbraw/zinc/87/58/93/388875893.db2.gz VGKRFNACINBZBD-QWRGUYRKSA-N 2 2 241.379 0.973 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CC(=O)NC(C)(C)C)CC[N@H+]1C ZINC000129926303 388875896 /nfs/dbraw/zinc/87/58/96/388875896.db2.gz VGKRFNACINBZBD-QWRGUYRKSA-N 2 2 241.379 0.973 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)c2nnnn2C)C1 ZINC000564989270 388905856 /nfs/dbraw/zinc/90/58/56/388905856.db2.gz WWVRNSROOQAKKG-LPEHRKFASA-N 2 2 238.339 0.330 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)c2nnnn2C)C1 ZINC000564989270 388905858 /nfs/dbraw/zinc/90/58/58/388905858.db2.gz WWVRNSROOQAKKG-LPEHRKFASA-N 2 2 238.339 0.330 20 0 BCADLP C[C@@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)Cn1cc[nH+]c1 ZINC000565033412 388910299 /nfs/dbraw/zinc/91/02/99/388910299.db2.gz PQEDOAFDRBIYFP-GARJFASQSA-N 2 2 236.319 0.373 20 0 BCADLP C[C@H](O)CCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000565157022 388918203 /nfs/dbraw/zinc/91/82/03/388918203.db2.gz LDMQZWCNEKIDNT-NSHDSACASA-N 2 2 238.335 0.693 20 0 BCADLP C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000565185658 388923081 /nfs/dbraw/zinc/92/30/81/388923081.db2.gz NKXZOUIMVOEZGM-LLVKDONJSA-N 2 2 239.363 0.539 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)OC[C@@H]1C ZINC000565664841 388961945 /nfs/dbraw/zinc/96/19/45/388961945.db2.gz CAMDWDVLXFIYDV-NWDGAFQWSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000565664841 388961953 /nfs/dbraw/zinc/96/19/53/388961953.db2.gz CAMDWDVLXFIYDV-NWDGAFQWSA-N 2 2 244.379 0.798 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)OC[C@@H]1C ZINC000565664841 388961940 /nfs/dbraw/zinc/96/19/40/388961940.db2.gz CAMDWDVLXFIYDV-NWDGAFQWSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000565664841 388961947 /nfs/dbraw/zinc/96/19/47/388961947.db2.gz CAMDWDVLXFIYDV-NWDGAFQWSA-N 2 2 244.379 0.798 20 0 BCADLP Cc1cc(NC(=O)N[C@H](C[NH3+])C2CC2)c(C)c[nH+]1 ZINC000565704463 388963507 /nfs/dbraw/zinc/96/35/07/388963507.db2.gz CZCJUYHLYHKZLC-GFCCVEGCSA-N 2 2 248.330 0.979 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CC(=O)NC(C)C)n1C ZINC000565492084 388948357 /nfs/dbraw/zinc/94/83/57/388948357.db2.gz SZPLKNHDZGVLQU-UHFFFAOYSA-N 2 2 224.308 0.343 20 0 BCADLP CCC[NH2+]CCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000565479887 388948730 /nfs/dbraw/zinc/94/87/30/388948730.db2.gz BNXCDKRRMCSLTQ-SECBINFHSA-N 2 2 242.348 0.259 20 0 BCADLP CO[C@]1(C[NH2+]Cc2c[nH+]c(C)n2C)CCOC1 ZINC000565547605 388952467 /nfs/dbraw/zinc/95/24/67/388952467.db2.gz BYRZTBQRSDLVIO-LBPRGKRZSA-N 2 2 239.319 0.624 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565951414 388981179 /nfs/dbraw/zinc/98/11/79/388981179.db2.gz QABJMHCGZKVPRU-CYBMUJFWSA-N 2 2 239.363 0.588 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565951414 388981175 /nfs/dbraw/zinc/98/11/75/388981175.db2.gz QABJMHCGZKVPRU-CYBMUJFWSA-N 2 2 239.363 0.588 20 0 BCADLP CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000565956302 388981367 /nfs/dbraw/zinc/98/13/67/388981367.db2.gz DVPRKJMMLNYCHF-JTQLQIEISA-N 2 2 222.292 0.094 20 0 BCADLP CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000565956302 388981370 /nfs/dbraw/zinc/98/13/70/388981370.db2.gz DVPRKJMMLNYCHF-JTQLQIEISA-N 2 2 222.292 0.094 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]([NH3+])C(C)C ZINC000269276407 389008564 /nfs/dbraw/zinc/00/85/64/389008564.db2.gz WXNZWQVVUAWAOR-VIFPVBQESA-N 2 2 210.281 0.318 20 0 BCADLP C[N@H+]1CC=C(C[NH2+]Cc2ccn[nH]2)CC1 ZINC000271771891 389024890 /nfs/dbraw/zinc/02/48/90/389024890.db2.gz BUHSULMXTUZSOC-UHFFFAOYSA-N 2 2 206.293 0.761 20 0 BCADLP C[N@@H+]1CC=C(C[NH2+]Cc2ccn[nH]2)CC1 ZINC000271771891 389024894 /nfs/dbraw/zinc/02/48/94/389024894.db2.gz BUHSULMXTUZSOC-UHFFFAOYSA-N 2 2 206.293 0.761 20 0 BCADLP C[C@@H]([NH2+]CCN1CCSCC1)[C@@H]1CCC[NH2+]1 ZINC000400330762 533395155 /nfs/dbraw/zinc/39/51/55/533395155.db2.gz BTMWQBFWUIEUOK-NEPJUHHUSA-N 2 2 243.420 0.765 20 0 BCADLP NC(=O)c1c[nH+]ccc1N1CC[NH+](C2CC2)CC1 ZINC000302229400 132262176 /nfs/dbraw/zinc/26/21/76/132262176.db2.gz RHZBIDRWFZBIFZ-UHFFFAOYSA-N 2 2 246.314 0.465 20 0 BCADLP C[NH2+]CCC[NH+]1CCN(c2ccccn2)CC1 ZINC000042409378 132297574 /nfs/dbraw/zinc/29/75/74/132297574.db2.gz AGZBPECMJQUXTJ-UHFFFAOYSA-N 2 2 234.347 0.813 20 0 BCADLP CNC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000335831068 133931803 /nfs/dbraw/zinc/93/18/03/133931803.db2.gz CTRXKWFQMCLZIF-SNVBAGLBSA-N 2 2 213.325 0.149 20 0 BCADLP CNC(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000335831068 133931804 /nfs/dbraw/zinc/93/18/04/133931804.db2.gz CTRXKWFQMCLZIF-SNVBAGLBSA-N 2 2 213.325 0.149 20 0 BCADLP COC1CC([N@H+](C)C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000352114672 134069711 /nfs/dbraw/zinc/06/97/11/134069711.db2.gz BQWBZEULJTWLDX-CPCZMJQVSA-N 2 2 242.363 0.551 20 0 BCADLP COC1CC([N@@H+](C)C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000352114672 134069712 /nfs/dbraw/zinc/06/97/12/134069712.db2.gz BQWBZEULJTWLDX-CPCZMJQVSA-N 2 2 242.363 0.551 20 0 BCADLP COC1CC([NH+](C)C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000352114672 134069713 /nfs/dbraw/zinc/06/97/13/134069713.db2.gz BQWBZEULJTWLDX-CPCZMJQVSA-N 2 2 242.363 0.551 20 0 BCADLP COC1CC([N@H+](C)C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000352114673 134069779 /nfs/dbraw/zinc/06/97/79/134069779.db2.gz BQWBZEULJTWLDX-OTTFEQOBSA-N 2 2 242.363 0.551 20 0 BCADLP COC1CC([N@@H+](C)C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000352114673 134069780 /nfs/dbraw/zinc/06/97/80/134069780.db2.gz BQWBZEULJTWLDX-OTTFEQOBSA-N 2 2 242.363 0.551 20 0 BCADLP COC1CC([NH+](C)C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000352114673 134069781 /nfs/dbraw/zinc/06/97/81/134069781.db2.gz BQWBZEULJTWLDX-OTTFEQOBSA-N 2 2 242.363 0.551 20 0 BCADLP COC1CC([NH+](C)C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000352114673 134069782 /nfs/dbraw/zinc/06/97/82/134069782.db2.gz BQWBZEULJTWLDX-OTTFEQOBSA-N 2 2 242.363 0.551 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCn2ncnc2C1 ZINC000352271510 134129755 /nfs/dbraw/zinc/12/97/55/134129755.db2.gz ANRIGXMNSPKDHC-UHFFFAOYSA-N 2 2 246.318 0.689 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+]1CCn2ncnc2C1 ZINC000352271510 134129756 /nfs/dbraw/zinc/12/97/56/134129756.db2.gz ANRIGXMNSPKDHC-UHFFFAOYSA-N 2 2 246.318 0.689 20 0 BCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2nccn2C)C1 ZINC000168555026 134226016 /nfs/dbraw/zinc/22/60/16/134226016.db2.gz CHIYJLYQJNNKAA-UWVGGRQHSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC000168555026 134226017 /nfs/dbraw/zinc/22/60/17/134226017.db2.gz CHIYJLYQJNNKAA-UWVGGRQHSA-N 2 2 208.309 0.589 20 0 BCADLP CCNC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372989574 134233252 /nfs/dbraw/zinc/23/32/52/134233252.db2.gz KMZGXWFSRVUXET-NSHDSACASA-N 2 2 227.352 0.539 20 0 BCADLP CCNC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372989574 134233253 /nfs/dbraw/zinc/23/32/53/134233253.db2.gz KMZGXWFSRVUXET-NSHDSACASA-N 2 2 227.352 0.539 20 0 BCADLP COCC[C@H](C)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000225611371 134354335 /nfs/dbraw/zinc/35/43/35/134354335.db2.gz ZQVXZLKAVCIZLG-UWVGGRQHSA-N 2 2 202.298 0.071 20 0 BCADLP COCC[C@H](C)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000225611371 134354336 /nfs/dbraw/zinc/35/43/36/134354336.db2.gz ZQVXZLKAVCIZLG-UWVGGRQHSA-N 2 2 202.298 0.071 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227073307 134374082 /nfs/dbraw/zinc/37/40/82/134374082.db2.gz AVOYRZPUSJOYDW-QWRGUYRKSA-N 2 2 227.352 0.572 20 0 BCADLP CCCCNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227073307 134374083 /nfs/dbraw/zinc/37/40/83/134374083.db2.gz AVOYRZPUSJOYDW-QWRGUYRKSA-N 2 2 227.352 0.572 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCCOCCO)C[N@@H+]1C1CC1 ZINC000227334847 134378123 /nfs/dbraw/zinc/37/81/23/134378123.db2.gz XZXXEHNCMIFCTM-NEPJUHHUSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCCOCCO)C[N@H+]1C1CC1 ZINC000227334847 134378124 /nfs/dbraw/zinc/37/81/24/134378124.db2.gz XZXXEHNCMIFCTM-NEPJUHHUSA-N 2 2 242.363 0.600 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000227398273 134379135 /nfs/dbraw/zinc/37/91/35/134379135.db2.gz ZNEVYRBKBUVCLV-PWSUYJOCSA-N 2 2 239.319 0.273 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000227398273 134379136 /nfs/dbraw/zinc/37/91/36/134379136.db2.gz ZNEVYRBKBUVCLV-PWSUYJOCSA-N 2 2 239.319 0.273 20 0 BCADLP C[C@]1(C(N)=O)CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000185890622 134398936 /nfs/dbraw/zinc/39/89/36/134398936.db2.gz KVZHZKRXOSJCIK-GFCCVEGCSA-N 2 2 236.319 0.613 20 0 BCADLP C[C@]1(C(N)=O)CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000185890622 134398938 /nfs/dbraw/zinc/39/89/38/134398938.db2.gz KVZHZKRXOSJCIK-GFCCVEGCSA-N 2 2 236.319 0.613 20 0 BCADLP O=C1NCC[C@@H]1[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245667490 134861468 /nfs/dbraw/zinc/86/14/68/134861468.db2.gz BCACTKXQJMKSFU-RYUDHWBXSA-N 2 2 237.347 0.293 20 0 BCADLP O=C1NCC[C@@H]1[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245667490 134861470 /nfs/dbraw/zinc/86/14/70/134861470.db2.gz BCACTKXQJMKSFU-RYUDHWBXSA-N 2 2 237.347 0.293 20 0 BCADLP C[C@H](O)C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000248649829 135018839 /nfs/dbraw/zinc/01/88/39/135018839.db2.gz LJNUVRDMNAMYFZ-NWDGAFQWSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H](O)C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000248649829 135018840 /nfs/dbraw/zinc/01/88/40/135018840.db2.gz LJNUVRDMNAMYFZ-NWDGAFQWSA-N 2 2 242.363 0.552 20 0 BCADLP O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CCCn1cc[nH+]c1 ZINC000249613806 135042203 /nfs/dbraw/zinc/04/22/03/135042203.db2.gz SLOHFNBDAHBUJO-MEBFFEOJSA-N 2 2 247.342 0.974 20 0 BCADLP O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2CCCn1cc[nH+]c1 ZINC000249613806 135042206 /nfs/dbraw/zinc/04/22/06/135042206.db2.gz SLOHFNBDAHBUJO-MEBFFEOJSA-N 2 2 247.342 0.974 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCSC1 ZINC000250363809 135052227 /nfs/dbraw/zinc/05/22/27/135052227.db2.gz DUEKSSBKHIGICU-WDEREUQCSA-N 2 2 229.393 0.327 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCSC1 ZINC000250363809 135052228 /nfs/dbraw/zinc/05/22/28/135052228.db2.gz DUEKSSBKHIGICU-WDEREUQCSA-N 2 2 229.393 0.327 20 0 BCADLP C[NH2+]CC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000237248312 135070142 /nfs/dbraw/zinc/07/01/42/135070142.db2.gz GMMVVVNISHJKMP-UHFFFAOYSA-N 2 2 248.330 0.517 20 0 BCADLP Cn1cccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252661547 135093960 /nfs/dbraw/zinc/09/39/60/135093960.db2.gz LYMSDGURTDUHSM-KBPBESRZSA-N 2 2 249.358 0.978 20 0 BCADLP Cn1cccc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252661547 135093961 /nfs/dbraw/zinc/09/39/61/135093961.db2.gz LYMSDGURTDUHSM-KBPBESRZSA-N 2 2 249.358 0.978 20 0 BCADLP c1c[nH+]c(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[nH]1 ZINC000252668115 135095888 /nfs/dbraw/zinc/09/58/88/135095888.db2.gz SBGUXGWNYLGXLL-WDEREUQCSA-N 2 2 236.319 0.363 20 0 BCADLP c1c[nH+]c(CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)[nH]1 ZINC000252668115 135095889 /nfs/dbraw/zinc/09/58/89/135095889.db2.gz SBGUXGWNYLGXLL-WDEREUQCSA-N 2 2 236.319 0.363 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2COCCO2)C[N@@H+]1C1CC1 ZINC000252714187 135100351 /nfs/dbraw/zinc/10/03/51/135100351.db2.gz RFZMLKONOITTHU-MDZLAQPJSA-N 2 2 240.347 0.617 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2COCCO2)C[N@H+]1C1CC1 ZINC000252714187 135100353 /nfs/dbraw/zinc/10/03/53/135100353.db2.gz RFZMLKONOITTHU-MDZLAQPJSA-N 2 2 240.347 0.617 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)[C@H]1CCOC1 ZINC000252715425 135101684 /nfs/dbraw/zinc/10/16/84/135101684.db2.gz VMZDGVYMYKODQZ-AVGNSLFASA-N 2 2 241.379 0.247 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)[C@H]1CCOC1 ZINC000252715425 135101686 /nfs/dbraw/zinc/10/16/86/135101686.db2.gz VMZDGVYMYKODQZ-AVGNSLFASA-N 2 2 241.379 0.247 20 0 BCADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCOC1)[NH+](C)C ZINC000252715431 135101707 /nfs/dbraw/zinc/10/17/07/135101707.db2.gz VNPSSCPCZVMHGA-DCAQKATOSA-N 2 2 200.326 0.951 20 0 BCADLP CCOC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252755502 135107511 /nfs/dbraw/zinc/10/75/11/135107511.db2.gz BKHMNGAAFPBPON-IUCAKERBSA-N 2 2 200.282 0.219 20 0 BCADLP CCOC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252755502 135107513 /nfs/dbraw/zinc/10/75/13/135107513.db2.gz BKHMNGAAFPBPON-IUCAKERBSA-N 2 2 200.282 0.219 20 0 BCADLP CC[C@H](COC)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000252955221 135116215 /nfs/dbraw/zinc/11/62/15/135116215.db2.gz IJRVIVGHBARVAU-UTUOFQBUSA-N 2 2 230.352 0.768 20 0 BCADLP c1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000257685225 135139124 /nfs/dbraw/zinc/13/91/24/135139124.db2.gz HWCBRPUJRQOUBS-CQSZACIVSA-N 2 2 246.358 0.561 20 0 BCADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)NCC(C)C ZINC000087472602 135143257 /nfs/dbraw/zinc/14/32/57/135143257.db2.gz SNKRRCMHMJIVCS-LLVKDONJSA-N 2 2 229.368 0.688 20 0 BCADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)NCC(C)C ZINC000087472602 135143259 /nfs/dbraw/zinc/14/32/59/135143259.db2.gz SNKRRCMHMJIVCS-LLVKDONJSA-N 2 2 229.368 0.688 20 0 BCADLP COCCOC1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000261545445 135148635 /nfs/dbraw/zinc/14/86/35/135148635.db2.gz JZVFUTIIPVPGNY-SNVBAGLBSA-N 2 2 216.325 0.461 20 0 BCADLP Cc1cnn(CC[N@@H+](C)[C@@H]2CC[NH2+]C2)c1 ZINC000261529534 135156093 /nfs/dbraw/zinc/15/60/93/135156093.db2.gz AYZKRFHYOSJLKR-LLVKDONJSA-N 2 2 208.309 0.485 20 0 BCADLP Cc1cnn(CC[N@H+](C)[C@@H]2CC[NH2+]C2)c1 ZINC000261529534 135156095 /nfs/dbraw/zinc/15/60/95/135156095.db2.gz AYZKRFHYOSJLKR-LLVKDONJSA-N 2 2 208.309 0.485 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261536488 135172370 /nfs/dbraw/zinc/17/23/70/135172370.db2.gz RWZGWTRKPSTTEB-LLVKDONJSA-N 2 2 213.325 0.183 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261536488 135172372 /nfs/dbraw/zinc/17/23/72/135172372.db2.gz RWZGWTRKPSTTEB-LLVKDONJSA-N 2 2 213.325 0.183 20 0 BCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccnn1C ZINC000261538922 135176937 /nfs/dbraw/zinc/17/69/37/135176937.db2.gz ZUGYLWAOAZZDNV-LLVKDONJSA-N 2 2 210.325 0.883 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261542903 135183300 /nfs/dbraw/zinc/18/33/00/135183300.db2.gz HFBJQLKERFUKNA-GFCCVEGCSA-N 3 2 211.353 0.670 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261542903 135183302 /nfs/dbraw/zinc/18/33/02/135183302.db2.gz HFBJQLKERFUKNA-GFCCVEGCSA-N 3 2 211.353 0.670 20 0 BCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000261548581 135187489 /nfs/dbraw/zinc/18/74/89/135187489.db2.gz JRRJOBVNNUKECI-MNOVXSKESA-N 2 2 236.319 0.387 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261550278 135189056 /nfs/dbraw/zinc/18/90/56/135189056.db2.gz LDXMISJXRHAEKH-ZWNOBZJWSA-N 2 2 237.347 0.339 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261550278 135189058 /nfs/dbraw/zinc/18/90/58/135189058.db2.gz LDXMISJXRHAEKH-ZWNOBZJWSA-N 2 2 237.347 0.339 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261555280 135195570 /nfs/dbraw/zinc/19/55/70/135195570.db2.gz PSCQLVCHWTYXJH-NEPJUHHUSA-N 2 2 239.363 0.442 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261555280 135195571 /nfs/dbraw/zinc/19/55/71/135195571.db2.gz PSCQLVCHWTYXJH-NEPJUHHUSA-N 2 2 239.363 0.442 20 0 BCADLP Cc1nn(C)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261557788 135198984 /nfs/dbraw/zinc/19/89/84/135198984.db2.gz SASVJUNRINAXMV-NWDGAFQWSA-N 2 2 234.347 0.770 20 0 BCADLP Cc1nn(C)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261557788 135198986 /nfs/dbraw/zinc/19/89/86/135198986.db2.gz SASVJUNRINAXMV-NWDGAFQWSA-N 2 2 234.347 0.770 20 0 BCADLP COCCO[C@@H]1CC[N@H+](CC(C)(C)[NH3+])C1 ZINC000261559661 135200412 /nfs/dbraw/zinc/20/04/12/135200412.db2.gz ZEPZAFULYJRYCG-SNVBAGLBSA-N 2 2 216.325 0.461 20 0 BCADLP COCCO[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261559661 135200413 /nfs/dbraw/zinc/20/04/13/135200413.db2.gz ZEPZAFULYJRYCG-SNVBAGLBSA-N 2 2 216.325 0.461 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000261571001 135213050 /nfs/dbraw/zinc/21/30/50/135213050.db2.gz HHDXANCUEFTQQC-QMMMGPOBSA-N 2 2 226.242 0.723 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000261571001 135213051 /nfs/dbraw/zinc/21/30/51/135213051.db2.gz HHDXANCUEFTQQC-QMMMGPOBSA-N 2 2 226.242 0.723 20 0 BCADLP CNC(=O)CC1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000261573757 135215941 /nfs/dbraw/zinc/21/59/41/135215941.db2.gz IYFYNWFQBHWGLL-SECBINFHSA-N 2 2 213.325 0.182 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261576689 135218505 /nfs/dbraw/zinc/21/85/05/135218505.db2.gz KOMZONLXCOAASW-QWRGUYRKSA-N 2 2 225.336 0.195 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261576689 135218506 /nfs/dbraw/zinc/21/85/06/135218506.db2.gz KOMZONLXCOAASW-QWRGUYRKSA-N 2 2 225.336 0.195 20 0 BCADLP C[C@H]1CCC[N@H+](CCn2cncn2)[C@H]1C[NH3+] ZINC000261587937 135228527 /nfs/dbraw/zinc/22/85/27/135228527.db2.gz RZCOVXRZRHOPIU-QWRGUYRKSA-N 2 2 223.324 0.337 20 0 BCADLP C[C@H]1CCC[N@@H+](CCn2cncn2)[C@H]1C[NH3+] ZINC000261587937 135228528 /nfs/dbraw/zinc/22/85/28/135228528.db2.gz RZCOVXRZRHOPIU-QWRGUYRKSA-N 2 2 223.324 0.337 20 0 BCADLP Cn1cnnc1[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261591672 135231704 /nfs/dbraw/zinc/23/17/04/135231704.db2.gz XZJFOCFYHPBHDS-RYUDHWBXSA-N 2 2 249.362 0.952 20 0 BCADLP Cn1cnnc1[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261591672 135231705 /nfs/dbraw/zinc/23/17/05/135231705.db2.gz XZJFOCFYHPBHDS-RYUDHWBXSA-N 2 2 249.362 0.952 20 0 BCADLP c1ncn(CC[NH+]2CCC([NH2+]CC3CC3)CC2)n1 ZINC000261591920 135232772 /nfs/dbraw/zinc/23/27/72/135232772.db2.gz YEAQYHMUIYRMAS-UHFFFAOYSA-N 2 2 249.362 0.742 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261593132 135233477 /nfs/dbraw/zinc/23/34/77/135233477.db2.gz WPRKNVDMPLFNHP-QWRGUYRKSA-N 2 2 220.320 0.604 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NCC2CC2)C1 ZINC000261592757 135233530 /nfs/dbraw/zinc/23/35/30/135233530.db2.gz WDQJKUISYUOTIY-LBPRGKRZSA-N 2 2 225.336 0.183 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000261592757 135233531 /nfs/dbraw/zinc/23/35/31/135233531.db2.gz WDQJKUISYUOTIY-LBPRGKRZSA-N 2 2 225.336 0.183 20 0 BCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)NC1CC1 ZINC000261598508 135236448 /nfs/dbraw/zinc/23/64/48/135236448.db2.gz ZPCHYEWRUPPCEP-NSHDSACASA-N 2 2 213.325 0.228 20 0 BCADLP C[C@H]([NH3+])CC(=O)NCc1ccc[nH+]c1N(C)C ZINC000261740041 135248837 /nfs/dbraw/zinc/24/88/37/135248837.db2.gz GNMPBFBDKPRVAE-VIFPVBQESA-N 2 2 236.319 0.501 20 0 BCADLP CC(C)NC(=O)C[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261778696 135252236 /nfs/dbraw/zinc/25/22/36/135252236.db2.gz NOFAVJSELMKSLN-GFCCVEGCSA-N 2 2 227.352 0.442 20 0 BCADLP CC(C)NC(=O)C[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261778696 135252238 /nfs/dbraw/zinc/25/22/38/135252238.db2.gz NOFAVJSELMKSLN-GFCCVEGCSA-N 2 2 227.352 0.442 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000261816099 135255377 /nfs/dbraw/zinc/25/53/77/135255377.db2.gz QECBCQKQNAZOII-UHFFFAOYSA-N 2 2 221.304 0.883 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000261816099 135255378 /nfs/dbraw/zinc/25/53/78/135255378.db2.gz QECBCQKQNAZOII-UHFFFAOYSA-N 2 2 221.304 0.883 20 0 BCADLP C[C@]1(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000261866169 135258399 /nfs/dbraw/zinc/25/83/99/135258399.db2.gz NVFCNIGFBVIVNT-MNOVXSKESA-N 2 2 246.376 0.105 20 0 BCADLP C[C@]1(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000261866169 135258400 /nfs/dbraw/zinc/25/84/00/135258400.db2.gz NVFCNIGFBVIVNT-MNOVXSKESA-N 2 2 246.376 0.105 20 0 BCADLP C[C@@H](CN1CCOCC1)[N@H+](C)CC(C)(C)[NH3+] ZINC000261965472 135267375 /nfs/dbraw/zinc/26/73/75/135267375.db2.gz PTFRIHANESKAEH-NSHDSACASA-N 2 2 229.368 0.376 20 0 BCADLP C[C@@H](CN1CCOCC1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000261965472 135267376 /nfs/dbraw/zinc/26/73/76/135267376.db2.gz PTFRIHANESKAEH-NSHDSACASA-N 2 2 229.368 0.376 20 0 BCADLP C[C@@H](C[NH+]1CCOCC1)N(C)CC(C)(C)[NH3+] ZINC000261965472 135267378 /nfs/dbraw/zinc/26/73/78/135267378.db2.gz PTFRIHANESKAEH-NSHDSACASA-N 2 2 229.368 0.376 20 0 BCADLP CO[C@H](C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)C1CC1 ZINC000261981521 135268959 /nfs/dbraw/zinc/26/89/59/135268959.db2.gz IDDDMBKDOFWEJB-RAIGVLPGSA-N 2 2 242.363 0.768 20 0 BCADLP CCN1CC[N@H+](C[C@H]2CCC[NH2+]C2)[C@H](C)C1=O ZINC000261986897 135269335 /nfs/dbraw/zinc/26/93/35/135269335.db2.gz RZEJLASCEXONBU-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP CCN1CC[N@@H+](C[C@H]2CCC[NH2+]C2)[C@H](C)C1=O ZINC000261986897 135269337 /nfs/dbraw/zinc/26/93/37/135269337.db2.gz RZEJLASCEXONBU-NEPJUHHUSA-N 2 2 239.363 0.539 20 0 BCADLP CC[C@H]1C(=O)NCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262084069 135277637 /nfs/dbraw/zinc/27/76/37/135277637.db2.gz UCRZCKZBLDQEDZ-JQWIXIFHSA-N 2 2 225.336 0.196 20 0 BCADLP CC[C@H]1C(=O)NCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262084069 135277639 /nfs/dbraw/zinc/27/76/39/135277639.db2.gz UCRZCKZBLDQEDZ-JQWIXIFHSA-N 2 2 225.336 0.196 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H](CO)O1 ZINC000262120306 135279708 /nfs/dbraw/zinc/27/97/08/135279708.db2.gz XEVOUTXZNZWLSZ-UTUOFQBUSA-N 2 2 228.336 0.068 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H](CO)O1 ZINC000262120306 135279709 /nfs/dbraw/zinc/27/97/09/135279709.db2.gz XEVOUTXZNZWLSZ-UTUOFQBUSA-N 2 2 228.336 0.068 20 0 BCADLP COC(=O)C(C)(C)CC[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000262133102 135280575 /nfs/dbraw/zinc/28/05/75/135280575.db2.gz YIHVKWVEBQZSDI-NXEZZACHSA-N 2 2 228.336 0.855 20 0 BCADLP COC(=O)C(C)(C)CC[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000262133102 135280576 /nfs/dbraw/zinc/28/05/76/135280576.db2.gz YIHVKWVEBQZSDI-NXEZZACHSA-N 2 2 228.336 0.855 20 0 BCADLP C[N@H+](CC(=O)NC(C)(C)C)C[C@@]1(C)CC[NH2+]C1 ZINC000262134603 135281208 /nfs/dbraw/zinc/28/12/08/135281208.db2.gz YOPBJFQYNPEIOQ-ZDUSSCGKSA-N 2 2 241.379 0.833 20 0 BCADLP C[N@@H+](CC(=O)NC(C)(C)C)C[C@@]1(C)CC[NH2+]C1 ZINC000262134603 135281209 /nfs/dbraw/zinc/28/12/09/135281209.db2.gz YOPBJFQYNPEIOQ-ZDUSSCGKSA-N 2 2 241.379 0.833 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000342546780 135287306 /nfs/dbraw/zinc/28/73/06/135287306.db2.gz KSLHIUNWFPGEIP-IUCAKERBSA-N 2 2 222.292 0.224 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000342546780 135287308 /nfs/dbraw/zinc/28/73/08/135287308.db2.gz KSLHIUNWFPGEIP-IUCAKERBSA-N 2 2 222.292 0.224 20 0 BCADLP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000262933086 135324126 /nfs/dbraw/zinc/32/41/26/135324126.db2.gz HZDKAHJXWAWYJX-SKDRFNHKSA-N 2 2 236.319 0.934 20 0 BCADLP C[N@H+](CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000263079185 135331404 /nfs/dbraw/zinc/33/14/04/135331404.db2.gz XIRHWUNXVCTGIC-SECBINFHSA-N 2 2 247.289 0.194 20 0 BCADLP C[N@@H+](CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000263079185 135331407 /nfs/dbraw/zinc/33/14/07/135331407.db2.gz XIRHWUNXVCTGIC-SECBINFHSA-N 2 2 247.289 0.194 20 0 BCADLP Cc1cc(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc[nH+]1 ZINC000334287693 135340351 /nfs/dbraw/zinc/34/03/51/135340351.db2.gz YDICBFHVCKGLIF-WCQYABFASA-N 2 2 231.299 0.750 20 0 BCADLP CC[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000334345608 135365921 /nfs/dbraw/zinc/36/59/21/135365921.db2.gz UZJVEHYYNISJRQ-LBPRGKRZSA-N 2 2 239.363 0.635 20 0 BCADLP CC[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000334345608 135365923 /nfs/dbraw/zinc/36/59/23/135365923.db2.gz UZJVEHYYNISJRQ-LBPRGKRZSA-N 2 2 239.363 0.635 20 0 BCADLP c1cnn(CC[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000299893468 135380622 /nfs/dbraw/zinc/38/06/22/135380622.db2.gz LNZSHGOFXNNSRO-NWDGAFQWSA-N 2 2 220.320 0.567 20 0 BCADLP c1cnn(CC[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000299893468 135380623 /nfs/dbraw/zinc/38/06/23/135380623.db2.gz LNZSHGOFXNNSRO-NWDGAFQWSA-N 2 2 220.320 0.567 20 0 BCADLP Cc1[nH]ncc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000084220126 135468541 /nfs/dbraw/zinc/46/85/41/135468541.db2.gz YTSSRANTAIDLKW-KOLCDFICSA-N 2 2 208.309 0.935 20 0 BCADLP Cc1cc(NC(=O)N(C)C2CC([NH3+])C2)cc[nH+]1 ZINC000334822770 135833729 /nfs/dbraw/zinc/83/37/29/135833729.db2.gz FDXZPBWKNNFIBR-UHFFFAOYSA-N 2 2 234.303 0.765 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](CO)C1 ZINC000347713371 136002992 /nfs/dbraw/zinc/00/29/92/136002992.db2.gz AEFAJPFCFSEIGJ-LLVKDONJSA-N 2 2 223.320 0.667 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](CO)C1 ZINC000347713371 136002993 /nfs/dbraw/zinc/00/29/93/136002993.db2.gz AEFAJPFCFSEIGJ-LLVKDONJSA-N 2 2 223.320 0.667 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](CO)C1 ZINC000347713372 136003278 /nfs/dbraw/zinc/00/32/78/136003278.db2.gz AEFAJPFCFSEIGJ-NSHDSACASA-N 2 2 223.320 0.667 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](CO)C1 ZINC000347713372 136003279 /nfs/dbraw/zinc/00/32/79/136003279.db2.gz AEFAJPFCFSEIGJ-NSHDSACASA-N 2 2 223.320 0.667 20 0 BCADLP CC(=O)[C@](C)(O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000347816130 136013663 /nfs/dbraw/zinc/01/36/63/136013663.db2.gz VZPVVGBAZCLFBI-VXGBXAGGSA-N 2 2 228.336 0.210 20 0 BCADLP CC(=O)[C@](C)(O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000347816130 136013664 /nfs/dbraw/zinc/01/36/64/136013664.db2.gz VZPVVGBAZCLFBI-VXGBXAGGSA-N 2 2 228.336 0.210 20 0 BCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CC1(C)C ZINC000335323446 136050847 /nfs/dbraw/zinc/05/08/47/136050847.db2.gz WTZGSQJCFVECLL-LLVKDONJSA-N 2 2 239.363 0.491 20 0 BCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CC1(C)C ZINC000335323446 136050848 /nfs/dbraw/zinc/05/08/48/136050848.db2.gz WTZGSQJCFVECLL-LLVKDONJSA-N 2 2 239.363 0.491 20 0 BCADLP COC[C@H](C)C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000166116919 136074291 /nfs/dbraw/zinc/07/42/91/136074291.db2.gz BUDWKZCKRRWZJB-WOPDTQHZSA-N 2 2 230.352 0.626 20 0 BCADLP COC[C@H](C)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166116811 136074305 /nfs/dbraw/zinc/07/43/05/136074305.db2.gz BUDWKZCKRRWZJB-IJLUTSLNSA-N 2 2 230.352 0.626 20 0 BCADLP CC(C)[C@@H](CO)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166136763 136076338 /nfs/dbraw/zinc/07/63/38/136076338.db2.gz NSFSJGSFWSXHFK-IJLUTSLNSA-N 2 2 230.352 0.360 20 0 BCADLP CC(C)[C@@H](CO)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000166137136 136076362 /nfs/dbraw/zinc/07/63/62/136076362.db2.gz NSFSJGSFWSXHFK-GRYCIOLGSA-N 2 2 230.352 0.360 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c[nH+]1 ZINC000335374071 136084620 /nfs/dbraw/zinc/08/46/20/136084620.db2.gz WHYQWICYNOWZTH-BDAKNGLRSA-N 2 2 222.292 0.575 20 0 BCADLP CC(C)[C@@H]([NH3+])c1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000381604133 397762882 /nfs/dbraw/zinc/76/28/82/397762882.db2.gz IAWWUQWUMSKTGM-SNVBAGLBSA-N 2 2 220.280 0.705 20 0 BCADLP C[N@@H+]1C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC000644816749 397968718 /nfs/dbraw/zinc/96/87/18/397968718.db2.gz XLEYTQRXGDOROF-VXGBXAGGSA-N 2 2 248.330 0.436 20 0 BCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CCn2cc[nH+]c2)C1 ZINC000644816748 397968444 /nfs/dbraw/zinc/96/84/44/397968444.db2.gz XLEYTQRXGDOROF-RYUDHWBXSA-N 2 2 248.330 0.436 20 0 BCADLP C[N@@H+]1C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1 ZINC000644816746 397968491 /nfs/dbraw/zinc/96/84/91/397968491.db2.gz XLEYTQRXGDOROF-NEPJUHHUSA-N 2 2 248.330 0.436 20 0 BCADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCCO1 ZINC000643538197 397919805 /nfs/dbraw/zinc/91/98/05/397919805.db2.gz AYAUSTVYSAGLGT-NAKRPEOUSA-N 2 2 216.300 0.844 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000373106205 398012327 /nfs/dbraw/zinc/01/23/27/398012327.db2.gz GNGABPRGXIHRGN-QWRGUYRKSA-N 2 2 249.314 0.915 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+]([C@H]2CCOC2=O)C1 ZINC000373106205 398012328 /nfs/dbraw/zinc/01/23/28/398012328.db2.gz GNGABPRGXIHRGN-QWRGUYRKSA-N 2 2 249.314 0.915 20 0 BCADLP CC(C)(C)[NH2+]CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000375431421 398024051 /nfs/dbraw/zinc/02/40/51/398024051.db2.gz NXIMVYHDVYBQGM-MRVPVSSYSA-N 2 2 249.305 0.488 20 0 BCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000382754209 397972352 /nfs/dbraw/zinc/97/23/52/397972352.db2.gz KNVDWUFWYFELJJ-MNOVXSKESA-N 2 2 241.379 0.831 20 0 BCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000382754209 397972356 /nfs/dbraw/zinc/97/23/56/397972356.db2.gz KNVDWUFWYFELJJ-MNOVXSKESA-N 2 2 241.379 0.831 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414853969 398062048 /nfs/dbraw/zinc/06/20/48/398062048.db2.gz LQFJPZVNTOOSKZ-VXGBXAGGSA-N 3 2 213.369 0.949 20 0 BCADLP CC[C@@](C)([NH3+])c1cn(Cc2c[nH+]cn2C)nn1 ZINC000384214549 398075707 /nfs/dbraw/zinc/07/57/07/398075707.db2.gz PZVOMIOHEPUIGU-LLVKDONJSA-N 2 2 234.307 0.644 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]Cc2ncc[nH]2)CC[N@@H+]1C ZINC000090720681 398111479 /nfs/dbraw/zinc/11/14/79/398111479.db2.gz VDZZCQGVVPKLSI-ZJUUUORDSA-N 2 2 208.309 0.982 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]Cc2ncc[nH]2)CC[N@H+]1C ZINC000090720681 398111480 /nfs/dbraw/zinc/11/14/80/398111480.db2.gz VDZZCQGVVPKLSI-ZJUUUORDSA-N 2 2 208.309 0.982 20 0 BCADLP C[C@@H]1C[C@@H](NCc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000090720681 398111482 /nfs/dbraw/zinc/11/14/82/398111482.db2.gz VDZZCQGVVPKLSI-ZJUUUORDSA-N 2 2 208.309 0.982 20 0 BCADLP C[C@@H]1C[C@@H](NCc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000090720681 398111483 /nfs/dbraw/zinc/11/14/83/398111483.db2.gz VDZZCQGVVPKLSI-ZJUUUORDSA-N 2 2 208.309 0.982 20 0 BCADLP C[C@H](C[NH2+][C@H](C)C(C)(C)n1cncn1)[NH+](C)C ZINC000340474717 398129592 /nfs/dbraw/zinc/12/95/92/398129592.db2.gz URJUMWNIJNPYFU-GHMZBOCLSA-N 2 2 239.367 0.941 20 0 BCADLP CC(C)[NH2+]C1CC[NH+](CCOCC[NH3+])CC1 ZINC000357077100 167095889 /nfs/dbraw/zinc/09/58/89/167095889.db2.gz JMNKMGBGBXSYGK-UHFFFAOYSA-N 3 2 229.368 0.424 20 0 BCADLP CC(C)[NH2+]CC[N@@H+]1CCOC[C@H](C)C1 ZINC000308605321 167104308 /nfs/dbraw/zinc/10/43/08/167104308.db2.gz BPLPITBMBLFYBX-LLVKDONJSA-N 2 2 200.326 0.953 20 0 BCADLP CC(C)[NH2+]CC[N@H+]1CCOC[C@H](C)C1 ZINC000308605321 167104311 /nfs/dbraw/zinc/10/43/11/167104311.db2.gz BPLPITBMBLFYBX-LLVKDONJSA-N 2 2 200.326 0.953 20 0 BCADLP C[C@@H]1C[C@@H](C)[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000685580562 487558378 /nfs/dbraw/zinc/55/83/78/487558378.db2.gz RLXWSMMBSFLWLW-CKYFFXLPSA-N 2 2 212.337 0.924 20 0 BCADLP C[C@@H]1C[C@@H](C)[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000685580562 487558381 /nfs/dbraw/zinc/55/83/81/487558381.db2.gz RLXWSMMBSFLWLW-CKYFFXLPSA-N 2 2 212.337 0.924 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CC[C@@H]2CCCO2)CCO1 ZINC000169174193 487561684 /nfs/dbraw/zinc/56/16/84/487561684.db2.gz VGUNDRFNMZUTFS-SRVKXCTJSA-N 2 2 228.336 0.604 20 0 BCADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)CCO1 ZINC000169174193 487561690 /nfs/dbraw/zinc/56/16/90/487561690.db2.gz VGUNDRFNMZUTFS-SRVKXCTJSA-N 2 2 228.336 0.604 20 0 BCADLP [NH3+]C1(CC(=O)NCc2[nH]cc[nH+]2)CCC1 ZINC000086853685 487568817 /nfs/dbraw/zinc/56/88/17/487568817.db2.gz HYIXBFHZKSIOFN-UHFFFAOYSA-N 2 2 208.265 0.297 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCC2)C1 ZINC000393363488 487573902 /nfs/dbraw/zinc/57/39/02/487573902.db2.gz YUGPVQLVLKYMDL-LLVKDONJSA-N 2 2 212.337 0.975 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+]CC2(O)CCC2)C1 ZINC000393363488 487573912 /nfs/dbraw/zinc/57/39/12/487573912.db2.gz YUGPVQLVLKYMDL-LLVKDONJSA-N 2 2 212.337 0.975 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000228012052 487576587 /nfs/dbraw/zinc/57/65/87/487576587.db2.gz NCZXKVWWCFZZDW-GRYCIOLGSA-N 2 2 210.321 0.707 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000228012052 487576591 /nfs/dbraw/zinc/57/65/91/487576591.db2.gz NCZXKVWWCFZZDW-GRYCIOLGSA-N 2 2 210.321 0.707 20 0 BCADLP COC[C@@H](C)[NH2+]CC[NH+]1CCC(OC)CC1 ZINC000053380291 487590512 /nfs/dbraw/zinc/59/05/12/487590512.db2.gz RRRIPKFJHAJXJI-LLVKDONJSA-N 2 2 230.352 0.722 20 0 BCADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000655242973 487598513 /nfs/dbraw/zinc/59/85/13/487598513.db2.gz LDEPMQAGZZGPRS-PHIMTYICSA-N 2 2 236.319 0.340 20 0 BCADLP C[NH2+]CCC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662264791 409560157 /nfs/dbraw/zinc/56/01/57/409560157.db2.gz LZDDVIZSLFKZHP-CYBMUJFWSA-N 3 2 241.379 0.296 20 0 BCADLP CO[C@H](C[N@@H+]1CCO[C@H](C[NH3+])C1)C1CCC1 ZINC000662264482 409560688 /nfs/dbraw/zinc/56/06/88/409560688.db2.gz DOFWWWAYWNAGST-VXGBXAGGSA-N 2 2 228.336 0.461 20 0 BCADLP CO[C@H](C[N@H+]1CCO[C@H](C[NH3+])C1)C1CCC1 ZINC000662264482 409560695 /nfs/dbraw/zinc/56/06/95/409560695.db2.gz DOFWWWAYWNAGST-VXGBXAGGSA-N 2 2 228.336 0.461 20 0 BCADLP CO[C@H](C[N@@H+]1CCO[C@@H](C[NH3+])C1)C1CCC1 ZINC000662264478 409561160 /nfs/dbraw/zinc/56/11/60/409561160.db2.gz DOFWWWAYWNAGST-NWDGAFQWSA-N 2 2 228.336 0.461 20 0 BCADLP CO[C@H](C[N@H+]1CCO[C@@H](C[NH3+])C1)C1CCC1 ZINC000662264478 409561171 /nfs/dbraw/zinc/56/11/71/409561171.db2.gz DOFWWWAYWNAGST-NWDGAFQWSA-N 2 2 228.336 0.461 20 0 BCADLP CC[NH2+]CC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662247351 409545775 /nfs/dbraw/zinc/54/57/75/409545775.db2.gz ZPGSGNQHSPEXRA-CYBMUJFWSA-N 3 2 241.379 0.296 20 0 BCADLP CC[NH2+]CC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662247357 409546355 /nfs/dbraw/zinc/54/63/55/409546355.db2.gz ZPGSGNQHSPEXRA-ZDUSSCGKSA-N 3 2 241.379 0.296 20 0 BCADLP CCC(CC)C[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662286385 409618614 /nfs/dbraw/zinc/61/86/14/409618614.db2.gz SZZZNABIXSHDOO-LLVKDONJSA-N 2 2 218.341 0.037 20 0 BCADLP CCC(CC)C[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662286385 409618617 /nfs/dbraw/zinc/61/86/17/409618617.db2.gz SZZZNABIXSHDOO-LLVKDONJSA-N 2 2 218.341 0.037 20 0 BCADLP CN1CCC[C@@H]([N@@H+]2CC3CC2(C[NH3+])C3)C1=O ZINC000662305523 409628946 /nfs/dbraw/zinc/62/89/46/409628946.db2.gz IFSLOFSXVWGUAH-SQLBVSGCSA-N 2 2 223.320 0.030 20 0 BCADLP CN1CCC[C@@H]([N@H+]2CC3CC2(C[NH3+])C3)C1=O ZINC000662305523 409628955 /nfs/dbraw/zinc/62/89/55/409628955.db2.gz IFSLOFSXVWGUAH-SQLBVSGCSA-N 2 2 223.320 0.030 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000653090860 409639369 /nfs/dbraw/zinc/63/93/69/409639369.db2.gz ATLCRWCAYQOBPO-GRYCIOLGSA-N 2 2 239.363 0.524 20 0 BCADLP CC[C@H](C)[C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653076830 409589287 /nfs/dbraw/zinc/58/92/87/409589287.db2.gz GMWGRGMPBRBISE-DCAQKATOSA-N 2 2 229.368 0.816 20 0 BCADLP C[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1[NH3+] ZINC000662277961 409592912 /nfs/dbraw/zinc/59/29/12/409592912.db2.gz UDPDQXKWMFDWFT-HLTSFMKQSA-N 2 2 220.263 0.690 20 0 BCADLP C[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1[NH3+] ZINC000662277961 409592919 /nfs/dbraw/zinc/59/29/19/409592919.db2.gz UDPDQXKWMFDWFT-HLTSFMKQSA-N 2 2 220.263 0.690 20 0 BCADLP COC[C@@H]1CCCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662280872 409600405 /nfs/dbraw/zinc/60/04/05/409600405.db2.gz GOKCWKAZMBTJAE-CHWSQXEVSA-N 2 2 242.363 0.723 20 0 BCADLP COC[C@@H]1CCCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662280872 409600411 /nfs/dbraw/zinc/60/04/11/409600411.db2.gz GOKCWKAZMBTJAE-CHWSQXEVSA-N 2 2 242.363 0.723 20 0 BCADLP C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H]1C ZINC000653083431 409606384 /nfs/dbraw/zinc/60/63/84/409606384.db2.gz YWIYJKZKIDVHEZ-IJLUTSLNSA-N 2 2 241.379 0.912 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC2(CCC2)C1 ZINC000653091148 409654485 /nfs/dbraw/zinc/65/44/85/409654485.db2.gz LUGCXTZVJANELV-LLVKDONJSA-N 2 2 239.363 0.668 20 0 BCADLP CCC1(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCC1 ZINC000653092009 409676141 /nfs/dbraw/zinc/67/61/41/409676141.db2.gz PCZLZENLHWAEPL-JTQLQIEISA-N 2 2 227.352 0.714 20 0 BCADLP CC[C@@H]1C[C@@H](C)CN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653092989 409691977 /nfs/dbraw/zinc/69/19/77/409691977.db2.gz RTEDUPODRZMSLA-IJLUTSLNSA-N 2 2 241.379 0.912 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000662586382 409772171 /nfs/dbraw/zinc/77/21/71/409772171.db2.gz TWGAVVZGONHHER-PWSUYJOCSA-N 2 2 234.303 0.368 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000662586382 409772178 /nfs/dbraw/zinc/77/21/78/409772178.db2.gz TWGAVVZGONHHER-PWSUYJOCSA-N 2 2 234.303 0.368 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000662586726 409772489 /nfs/dbraw/zinc/77/24/89/409772489.db2.gz XYGFKIVTVBRSON-LLVKDONJSA-N 2 2 222.292 0.368 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000662586726 409772493 /nfs/dbraw/zinc/77/24/93/409772493.db2.gz XYGFKIVTVBRSON-LLVKDONJSA-N 2 2 222.292 0.368 20 0 BCADLP Cc1cncc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653119530 409828641 /nfs/dbraw/zinc/82/86/41/409828641.db2.gz MVKZTTKHBBDSQX-NSHDSACASA-N 2 2 236.319 0.608 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccco1 ZINC000653125710 409835213 /nfs/dbraw/zinc/83/52/13/409835213.db2.gz VTAZYRFJGFKNHS-JTQLQIEISA-N 2 2 225.292 0.175 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(C)(C)C[NH3+] ZINC000070645609 409802036 /nfs/dbraw/zinc/80/20/36/409802036.db2.gz WJUFYLMAJUTZOA-UHFFFAOYSA-N 2 2 210.281 0.353 20 0 BCADLP C[C@H]([NH3+])CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000653136280 409856058 /nfs/dbraw/zinc/85/60/58/409856058.db2.gz ITHZVHIBCXKDLE-IUCAKERBSA-N 2 2 210.281 0.298 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(F)cn1 ZINC000653107459 409806503 /nfs/dbraw/zinc/80/65/03/409806503.db2.gz KCCYCJJLBLUHIM-SECBINFHSA-N 2 2 240.282 0.438 20 0 BCADLP CC(C)C[C@@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653151084 409875123 /nfs/dbraw/zinc/87/51/23/409875123.db2.gz WNMFTQWWLMQLKL-GHMZBOCLSA-N 2 2 229.368 0.816 20 0 BCADLP CC(C)C[C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653151087 409876480 /nfs/dbraw/zinc/87/64/80/409876480.db2.gz WNMFTQWWLMQLKL-WDEREUQCSA-N 2 2 229.368 0.816 20 0 BCADLP C[C@H](NC(=O)C1(C)C[NH2+]C1)c1[nH+]ccn1C ZINC000662932789 409980933 /nfs/dbraw/zinc/98/09/33/409980933.db2.gz FYKDEEZWLGFDLR-QMMMGPOBSA-N 2 2 222.292 0.207 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000389233169 409936633 /nfs/dbraw/zinc/93/66/33/409936633.db2.gz IZEJIYTVYTWLAA-VXGBXAGGSA-N 2 2 239.363 0.729 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000389233169 409936640 /nfs/dbraw/zinc/93/66/40/409936640.db2.gz IZEJIYTVYTWLAA-VXGBXAGGSA-N 2 2 239.363 0.729 20 0 BCADLP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000655412194 410216073 /nfs/dbraw/zinc/21/60/73/410216073.db2.gz NQYJZGJTHOFPQX-GHMZBOCLSA-N 2 2 248.330 0.266 20 0 BCADLP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655414211 410217908 /nfs/dbraw/zinc/21/79/08/410217908.db2.gz ONCLSBONKNMGAA-WDEREUQCSA-N 2 2 248.330 0.266 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCC(F)(F)C1 ZINC000653198023 410160395 /nfs/dbraw/zinc/16/03/95/410160395.db2.gz FKUABMGFKJGWST-VIFPVBQESA-N 2 2 249.305 0.523 20 0 BCADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[NH2+]C1 ZINC000655414022 410218771 /nfs/dbraw/zinc/21/87/71/410218771.db2.gz DHTFPXRCIYKLSB-GHMZBOCLSA-N 2 2 248.330 0.266 20 0 BCADLP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655414208 410219600 /nfs/dbraw/zinc/21/96/00/410219600.db2.gz ONCLSBONKNMGAA-GHMZBOCLSA-N 2 2 248.330 0.266 20 0 BCADLP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@]12C[C@H]1C[NH2+]C2 ZINC000663496001 410274727 /nfs/dbraw/zinc/27/47/27/410274727.db2.gz BWCWLLCXTWLBFG-RWMBFGLXSA-N 3 2 235.375 0.860 20 0 BCADLP C[C@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC[NH2+]1 ZINC000655416231 410221690 /nfs/dbraw/zinc/22/16/90/410221690.db2.gz ZZUGUNCKXLGXOE-QWRGUYRKSA-N 2 2 248.330 0.266 20 0 BCADLP c1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[NH2+]C1)CN2 ZINC000650715043 410350293 /nfs/dbraw/zinc/35/02/93/410350293.db2.gz MMXCSXIYTHEEKB-RYUDHWBXSA-N 2 2 217.316 0.975 20 0 BCADLP CC[N@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000071561115 410459780 /nfs/dbraw/zinc/45/97/80/410459780.db2.gz NXZCDKXANSFFCB-WDEREUQCSA-N 2 2 246.376 0.105 20 0 BCADLP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000071561115 410459786 /nfs/dbraw/zinc/45/97/86/410459786.db2.gz NXZCDKXANSFFCB-WDEREUQCSA-N 2 2 246.376 0.105 20 0 BCADLP Cn1cc(C[N@H+](C)C[C@H]2CC[NH2+]C2)cn1 ZINC000051890037 410571296 /nfs/dbraw/zinc/57/12/96/410571296.db2.gz FLYCDZWIJYTPMZ-JTQLQIEISA-N 2 2 208.309 0.461 20 0 BCADLP Cn1cc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)cn1 ZINC000051890037 410571300 /nfs/dbraw/zinc/57/13/00/410571300.db2.gz FLYCDZWIJYTPMZ-JTQLQIEISA-N 2 2 208.309 0.461 20 0 BCADLP COc1c(N)[nH+]cnc1N(C)CC1C[NH+](C)C1 ZINC000664328580 410555425 /nfs/dbraw/zinc/55/54/25/410555425.db2.gz FINIRWBEHBJKSP-UHFFFAOYSA-N 2 2 237.307 0.065 20 0 BCADLP COc1c(N)nc[nH+]c1N(C)CC1C[NH+](C)C1 ZINC000664328580 410555428 /nfs/dbraw/zinc/55/54/28/410555428.db2.gz FINIRWBEHBJKSP-UHFFFAOYSA-N 2 2 237.307 0.065 20 0 BCADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC([NH3+])C1 ZINC000655466115 410666040 /nfs/dbraw/zinc/66/60/40/410666040.db2.gz LNIIEMGJDPTVMT-KPPDAEKUSA-N 2 2 248.330 0.394 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C)(O)CC1 ZINC000309293196 410746288 /nfs/dbraw/zinc/74/62/88/410746288.db2.gz WIHCAMZBKUWDSD-LLVKDONJSA-N 2 2 230.352 0.146 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(O)CC1 ZINC000309293196 410746290 /nfs/dbraw/zinc/74/62/90/410746290.db2.gz WIHCAMZBKUWDSD-LLVKDONJSA-N 2 2 230.352 0.146 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655478367 410712880 /nfs/dbraw/zinc/71/28/80/410712880.db2.gz RZXSPRNORNFDMY-AXFHLTTASA-N 2 2 248.330 0.394 20 0 BCADLP C[NH2+][C@@H](C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000655470187 410686387 /nfs/dbraw/zinc/68/63/87/410686387.db2.gz ORTRGCPFVPRWNA-WDEREUQCSA-N 2 2 248.330 0.384 20 0 BCADLP CC[C@H]1C[N@H+](Cc2cnnn2C)CC[C@H]1[NH3+] ZINC000394864849 410829960 /nfs/dbraw/zinc/82/99/60/410829960.db2.gz CGUJGJHWHQJBPU-GXSJLCMTSA-N 2 2 223.324 0.374 20 0 BCADLP CC[C@H]1C[N@@H+](Cc2cnnn2C)CC[C@H]1[NH3+] ZINC000394864849 410829968 /nfs/dbraw/zinc/82/99/68/410829968.db2.gz CGUJGJHWHQJBPU-GXSJLCMTSA-N 2 2 223.324 0.374 20 0 BCADLP CC(C)N1CC[C@H]([NH2+]CC2([NH3+])CCC2)C1=O ZINC000342118990 167024559 /nfs/dbraw/zinc/02/45/59/167024559.db2.gz GPYRTQDFKSGVKC-JTQLQIEISA-N 2 2 225.336 0.467 20 0 BCADLP CC(C)NC(=O)C[N@H+](C)CCc1c[nH+]cn1C ZINC000289531415 167048248 /nfs/dbraw/zinc/04/82/48/167048248.db2.gz GODBEHWLAWUSHE-UHFFFAOYSA-N 2 2 238.335 0.419 20 0 BCADLP CC(C)NC(=O)C[N@@H+](C)CCc1c[nH+]cn1C ZINC000289531415 167048249 /nfs/dbraw/zinc/04/82/49/167048249.db2.gz GODBEHWLAWUSHE-UHFFFAOYSA-N 2 2 238.335 0.419 20 0 BCADLP CC(C)OCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000308656888 167246651 /nfs/dbraw/zinc/24/66/51/167246651.db2.gz OMNDOQIFDHZEBV-QWRGUYRKSA-N 2 2 200.326 0.951 20 0 BCADLP CC(C)OCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000308656888 167246652 /nfs/dbraw/zinc/24/66/52/167246652.db2.gz OMNDOQIFDHZEBV-QWRGUYRKSA-N 2 2 200.326 0.951 20 0 BCADLP CC(C)[C@@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000082668962 167382360 /nfs/dbraw/zinc/38/23/60/167382360.db2.gz LROYDUMCJJSZRO-NEPJUHHUSA-N 2 2 213.369 0.866 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H](CO)CCF ZINC000652021299 411031446 /nfs/dbraw/zinc/03/14/46/411031446.db2.gz VVQWRUVYTDIRSD-SCVCMEIPSA-N 2 2 230.327 0.779 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H](CO)CCF ZINC000652021299 411031451 /nfs/dbraw/zinc/03/14/51/411031451.db2.gz VVQWRUVYTDIRSD-SCVCMEIPSA-N 2 2 230.327 0.779 20 0 BCADLP CC(C)[C@H](C(=O)NCCn1cc[nH+]c1)[C@@H](C)[NH3+] ZINC000399357357 411035156 /nfs/dbraw/zinc/03/51/56/411035156.db2.gz AEEHECLFZDJOOQ-MNOVXSKESA-N 2 2 238.335 0.619 20 0 BCADLP Cc1nc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc[nH+]1 ZINC000651452761 411035897 /nfs/dbraw/zinc/03/58/97/411035897.db2.gz YJMPIWQAHNXTDR-LLVKDONJSA-N 2 2 234.303 0.040 20 0 BCADLP Cc1nc(N2CC([N@H+]3CC[C@@H](O)C3)C2)cc[nH+]1 ZINC000651452761 411035901 /nfs/dbraw/zinc/03/59/01/411035901.db2.gz YJMPIWQAHNXTDR-LLVKDONJSA-N 2 2 234.303 0.040 20 0 BCADLP C[C@H]([NH3+])CC(=O)NCCCCn1cc[nH+]c1 ZINC000045109223 411144336 /nfs/dbraw/zinc/14/43/36/411144336.db2.gz GLHQFOBTEILHIU-JTQLQIEISA-N 2 2 224.308 0.517 20 0 BCADLP [NH3+]CC12CCC(CC1)C[N@@H+]2[C@H]1CCNC1=O ZINC000655942202 411161416 /nfs/dbraw/zinc/16/14/16/411161416.db2.gz LVEZBXDOPQVFDY-YZRBJQDESA-N 2 2 223.320 0.078 20 0 BCADLP [NH3+]CC12CCC(CC1)C[N@H+]2[C@H]1CCNC1=O ZINC000655942202 411161418 /nfs/dbraw/zinc/16/14/18/411161418.db2.gz LVEZBXDOPQVFDY-YZRBJQDESA-N 2 2 223.320 0.078 20 0 BCADLP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[NH+](C)C ZINC000401004232 411168587 /nfs/dbraw/zinc/16/85/87/411168587.db2.gz ISQLZZRJUBHXGK-YVECIDJPSA-N 3 2 225.380 0.914 20 0 BCADLP c1cn(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c[nH+]1 ZINC000401117419 411177123 /nfs/dbraw/zinc/17/71/23/411177123.db2.gz IQXUACAQLSGQLO-RWMBFGLXSA-N 3 2 234.347 0.861 20 0 BCADLP CCc1cc(NCC2([NH+](C)C)CC2)nc[nH+]1 ZINC000397854038 411242975 /nfs/dbraw/zinc/24/29/75/411242975.db2.gz VXWICAMCHSGHTK-UHFFFAOYSA-N 2 2 220.320 0.967 20 0 BCADLP CCn1cc[nH+]c1CN1CC[C@H](C[NH2+]C)C1 ZINC000070800148 411183661 /nfs/dbraw/zinc/18/36/61/411183661.db2.gz OHZJQAAGSSSVES-LLVKDONJSA-N 2 2 222.336 0.944 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC(C2CC2)C1 ZINC000656152405 411187179 /nfs/dbraw/zinc/18/71/79/411187179.db2.gz BQCOMUYPIOKJQC-GFCCVEGCSA-N 2 2 212.337 0.641 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C2CC2)C1 ZINC000656152405 411187183 /nfs/dbraw/zinc/18/71/83/411187183.db2.gz BQCOMUYPIOKJQC-GFCCVEGCSA-N 2 2 212.337 0.641 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC2(C1)CCCOC2 ZINC000656152593 411187334 /nfs/dbraw/zinc/18/73/34/411187334.db2.gz YHGUGWXZBBFHLU-GFCCVEGCSA-N 2 2 242.363 0.411 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC2(C1)CCCOC2 ZINC000656152593 411187337 /nfs/dbraw/zinc/18/73/37/411187337.db2.gz YHGUGWXZBBFHLU-GFCCVEGCSA-N 2 2 242.363 0.411 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000656151922 411187390 /nfs/dbraw/zinc/18/73/90/411187390.db2.gz OXLSXUCBDVHVSS-DGCLKSJQSA-N 2 2 242.363 0.267 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000656151922 411187393 /nfs/dbraw/zinc/18/73/93/411187393.db2.gz OXLSXUCBDVHVSS-DGCLKSJQSA-N 2 2 242.363 0.267 20 0 BCADLP COC1(CO)CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000656193946 411200055 /nfs/dbraw/zinc/20/00/55/411200055.db2.gz ZGOWPIAFLWRYGZ-UHFFFAOYSA-N 2 2 216.325 0.197 20 0 BCADLP C[C@@H]1CN(Cc2cc[nH+]c(N)c2)[C@@H](C)C[NH2+]1 ZINC000420340833 411201193 /nfs/dbraw/zinc/20/11/93/411201193.db2.gz SNHXSPWXLAZFEJ-ZJUUUORDSA-N 2 2 220.320 0.846 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000652338643 411203896 /nfs/dbraw/zinc/20/38/96/411203896.db2.gz KFPSGHXJWYKFME-STQMWFEESA-N 3 2 243.395 0.230 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000652338643 411203898 /nfs/dbraw/zinc/20/38/98/411203898.db2.gz KFPSGHXJWYKFME-STQMWFEESA-N 3 2 243.395 0.230 20 0 BCADLP C[NH2+]C[C@](C)(O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000652338643 411203900 /nfs/dbraw/zinc/20/39/00/411203900.db2.gz KFPSGHXJWYKFME-STQMWFEESA-N 3 2 243.395 0.230 20 0 BCADLP C[NH2+]C[C@](C)(O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000652338643 411203903 /nfs/dbraw/zinc/20/39/03/411203903.db2.gz KFPSGHXJWYKFME-STQMWFEESA-N 3 2 243.395 0.230 20 0 BCADLP COCC1(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)CC1 ZINC000656200108 411204641 /nfs/dbraw/zinc/20/46/41/411204641.db2.gz JQJUGCADKYHXDU-VXGBXAGGSA-N 2 2 242.363 0.770 20 0 BCADLP C[C@@H]([NH3+])C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000652353334 411211699 /nfs/dbraw/zinc/21/16/99/411211699.db2.gz AEMUGKUAVFLZKB-SNVBAGLBSA-N 2 2 223.324 0.337 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+]CC1([NH+](C)C)CC1 ZINC000658036564 411212698 /nfs/dbraw/zinc/21/26/98/411212698.db2.gz DIUGXABIUNIHBZ-SNVBAGLBSA-N 2 2 223.324 0.350 20 0 BCADLP Cc1[nH+]ccn1CCNC(=O)c1ccc(C[NH3+])o1 ZINC000310675131 411246985 /nfs/dbraw/zinc/24/69/85/411246985.db2.gz JCYHCUVYWCWMHO-UHFFFAOYSA-N 2 2 248.286 0.673 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658054295 411224077 /nfs/dbraw/zinc/22/40/77/411224077.db2.gz CZPCMCUSIKDCQW-NXEZZACHSA-N 2 2 227.352 0.713 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658054295 411224079 /nfs/dbraw/zinc/22/40/79/411224079.db2.gz CZPCMCUSIKDCQW-NXEZZACHSA-N 2 2 227.352 0.713 20 0 BCADLP CO[C@](C)(CO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000655786743 411235037 /nfs/dbraw/zinc/23/50/37/411235037.db2.gz RXXYETIQCKDLSA-WZRBSPASSA-N 2 2 242.363 0.599 20 0 BCADLP CO[C@](C)(CO)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000655786743 411235041 /nfs/dbraw/zinc/23/50/41/411235041.db2.gz RXXYETIQCKDLSA-WZRBSPASSA-N 2 2 242.363 0.599 20 0 BCADLP FCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655764675 411240909 /nfs/dbraw/zinc/24/09/09/411240909.db2.gz OEXMMHIETLDDAD-NSHDSACASA-N 2 2 216.300 0.799 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287607 411263410 /nfs/dbraw/zinc/26/34/10/411263410.db2.gz ARKODCZOKCKNIB-PHIMTYICSA-N 2 2 225.336 0.006 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287607 411263414 /nfs/dbraw/zinc/26/34/14/411263414.db2.gz ARKODCZOKCKNIB-PHIMTYICSA-N 2 2 225.336 0.006 20 0 BCADLP CCC[C@@H]([NH3+])c1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656459178 411268953 /nfs/dbraw/zinc/26/89/53/411268953.db2.gz QHACKFITARTCQZ-LLVKDONJSA-N 2 2 247.302 0.955 20 0 BCADLP CC(C)[C@H]([NH3+])c1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656458875 411269245 /nfs/dbraw/zinc/26/92/45/411269245.db2.gz JRXZCSWXFNKHGG-LBPRGKRZSA-N 2 2 247.302 0.810 20 0 BCADLP C[NH2+]C(C)(C)c1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656458812 411269381 /nfs/dbraw/zinc/26/93/81/411269381.db2.gz HXMJWMOFDFVZEW-UHFFFAOYSA-N 2 2 247.302 0.609 20 0 BCADLP CCC[C@H]([NH3+])c1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656459179 411269656 /nfs/dbraw/zinc/26/96/56/411269656.db2.gz QHACKFITARTCQZ-NSHDSACASA-N 2 2 247.302 0.955 20 0 BCADLP CC(C)(C[NH3+])Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000656458831 411269737 /nfs/dbraw/zinc/26/97/37/411269737.db2.gz ITDWUBNFOMWEEP-UHFFFAOYSA-N 2 2 234.307 0.508 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCCC[NH2+]1 ZINC000070645718 411271760 /nfs/dbraw/zinc/27/17/60/411271760.db2.gz XIGMCSQMVMXVNS-SECBINFHSA-N 2 2 222.292 0.510 20 0 BCADLP C[NH2+]CCCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070645745 411271885 /nfs/dbraw/zinc/27/18/85/411271885.db2.gz MRFJZBMJQDKSHM-UHFFFAOYSA-N 2 2 210.281 0.368 20 0 BCADLP c1cn(Cc2cn([C@H]3CCC[NH2+]C3)nn2)c[nH+]1 ZINC000656467613 411279983 /nfs/dbraw/zinc/27/99/83/411279983.db2.gz PNOFPWHAIIOQGM-NSHDSACASA-N 2 2 232.291 0.447 20 0 BCADLP Nc1ncc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)s1 ZINC000566230326 411283477 /nfs/dbraw/zinc/28/34/77/411283477.db2.gz CWMXQMQPURSWON-NSHDSACASA-N 2 2 238.360 0.911 20 0 BCADLP Nc1ncc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)s1 ZINC000566230326 411283479 /nfs/dbraw/zinc/28/34/79/411283479.db2.gz CWMXQMQPURSWON-NSHDSACASA-N 2 2 238.360 0.911 20 0 BCADLP CCNC(=O)C[N@H+](CC)C[C@H]1CC[NH2+]C1 ZINC000051889724 411285953 /nfs/dbraw/zinc/28/59/53/411285953.db2.gz VWJKUXIEBRVSFN-JTQLQIEISA-N 2 2 213.325 0.054 20 0 BCADLP CCNC(=O)C[N@@H+](CC)C[C@H]1CC[NH2+]C1 ZINC000051889724 411285956 /nfs/dbraw/zinc/28/59/56/411285956.db2.gz VWJKUXIEBRVSFN-JTQLQIEISA-N 2 2 213.325 0.054 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000401691752 411286281 /nfs/dbraw/zinc/28/62/81/411286281.db2.gz HEDYZDHJWIIXIJ-WDEREUQCSA-N 3 2 208.309 0.471 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCn2ccnc2)C1 ZINC000401691752 411286282 /nfs/dbraw/zinc/28/62/82/411286282.db2.gz HEDYZDHJWIIXIJ-WDEREUQCSA-N 2 2 208.309 0.471 20 0 BCADLP CCN(C)C(=O)[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC000401702621 411289558 /nfs/dbraw/zinc/28/95/58/411289558.db2.gz ATRSRWHOSVUMDX-VWYCJHECSA-N 2 2 227.352 0.441 20 0 BCADLP CN(C)C(=O)CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660576894 411329961 /nfs/dbraw/zinc/32/99/61/411329961.db2.gz AHHGWYATYBQBAP-UHFFFAOYSA-N 2 2 222.292 0.177 20 0 BCADLP CN(C)C(=O)CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000660576894 411329964 /nfs/dbraw/zinc/32/99/64/411329964.db2.gz AHHGWYATYBQBAP-UHFFFAOYSA-N 2 2 222.292 0.177 20 0 BCADLP CC(C)[NH2+]Cc1nc([C@H]2CCC[NH2+]2)no1 ZINC000656561330 411300944 /nfs/dbraw/zinc/30/09/44/411300944.db2.gz SANZWYIHUTXYHE-MRVPVSSYSA-N 2 2 210.281 0.992 20 0 BCADLP Cc1nc(N2CC3CC2(C[NH3+])C3)cc[nH+]1 ZINC000656610773 411308325 /nfs/dbraw/zinc/30/83/25/411308325.db2.gz IRNKEMCHWQXFDX-UHFFFAOYSA-N 2 2 204.277 0.713 20 0 BCADLP C[NH2+]C[C@@H](C)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000659633941 411259577 /nfs/dbraw/zinc/25/95/77/411259577.db2.gz GRXJULRDZHZDIA-SECBINFHSA-N 2 2 237.307 0.016 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C/C=C/CO ZINC000658134363 411260038 /nfs/dbraw/zinc/26/00/38/411260038.db2.gz QGQDWUNEVVBFRM-RXUHEVMZSA-N 2 2 210.321 0.607 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C/C=C/CO ZINC000658134363 411260041 /nfs/dbraw/zinc/26/00/41/411260041.db2.gz QGQDWUNEVVBFRM-RXUHEVMZSA-N 2 2 210.321 0.607 20 0 BCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000417781929 411261213 /nfs/dbraw/zinc/26/12/13/411261213.db2.gz KSXNDFZCUBMDEN-PSASIEDQSA-N 2 2 234.303 0.990 20 0 BCADLP Cc1cc(NC2C[NH2+]C2)nc(-c2cccnc2)[nH+]1 ZINC000576689659 411351296 /nfs/dbraw/zinc/35/12/96/411351296.db2.gz YQGBMQPLBXCMRM-UHFFFAOYSA-N 2 2 241.298 1.231 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](O)C1 ZINC000658351483 411353787 /nfs/dbraw/zinc/35/37/87/411353787.db2.gz XDVJXUTVDMAVOE-IQIPOGNMSA-N 2 2 210.321 0.582 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](O)C1 ZINC000658351483 411353791 /nfs/dbraw/zinc/35/37/91/411353791.db2.gz XDVJXUTVDMAVOE-IQIPOGNMSA-N 2 2 210.321 0.582 20 0 BCADLP C[N@H+](Cc1ccc(N)nc1)CC(C)(C)[NH3+] ZINC000656784662 411361812 /nfs/dbraw/zinc/36/18/12/411361812.db2.gz HAVHXFTUDKCYBK-UHFFFAOYSA-N 2 2 208.309 0.833 20 0 BCADLP C[N@@H+](Cc1ccc(N)nc1)CC(C)(C)[NH3+] ZINC000656784662 411361814 /nfs/dbraw/zinc/36/18/14/411361814.db2.gz HAVHXFTUDKCYBK-UHFFFAOYSA-N 2 2 208.309 0.833 20 0 BCADLP C[NH2+]C[C@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000659004999 411365859 /nfs/dbraw/zinc/36/58/59/411365859.db2.gz GHDUPRSLKUOGIR-VIFPVBQESA-N 2 2 222.292 0.541 20 0 BCADLP C[NH2+]CC[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000656787431 411366479 /nfs/dbraw/zinc/36/64/79/411366479.db2.gz YSKYRYNIIWKFNK-UHFFFAOYSA-N 3 2 219.332 0.641 20 0 BCADLP [NH3+]C1(C[NH2+][C@@H]2CCC[NH2+]CC2)CCCC1 ZINC000656789654 411368594 /nfs/dbraw/zinc/36/85/94/411368594.db2.gz USBIQTXNCWXJLD-LLVKDONJSA-N 3 2 211.353 0.990 20 0 BCADLP C[C@@H]1CCC[N@H+](Cc2nncn2C)[C@@H]1CC[NH3+] ZINC000404365040 411391373 /nfs/dbraw/zinc/39/13/73/411391373.db2.gz GUEGMLTWSBSLPP-GHMZBOCLSA-N 2 2 237.351 0.764 20 0 BCADLP C[C@@H]1CCC[N@@H+](Cc2nncn2C)[C@@H]1CC[NH3+] ZINC000404365040 411391375 /nfs/dbraw/zinc/39/13/75/411391375.db2.gz GUEGMLTWSBSLPP-GHMZBOCLSA-N 2 2 237.351 0.764 20 0 BCADLP O=C1NCCCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657305576 411457098 /nfs/dbraw/zinc/45/70/98/411457098.db2.gz GPNAHKPGQJNMAF-LLVKDONJSA-N 2 2 248.330 0.588 20 0 BCADLP c1[nH+]c2n(c1C[NH2+]C[C@H]1CCOC1)CCC2 ZINC000657308776 411458398 /nfs/dbraw/zinc/45/83/98/411458398.db2.gz BRVFZGPPABBLOY-SNVBAGLBSA-N 2 2 221.304 0.955 20 0 BCADLP C[C@@H](CO)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657326114 411464538 /nfs/dbraw/zinc/46/45/38/411464538.db2.gz CGMWJMIYNBWVHM-SECBINFHSA-N 2 2 209.293 0.547 20 0 BCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[NH2+]CC1 ZINC000653043761 411401529 /nfs/dbraw/zinc/40/15/29/411401529.db2.gz ZYHPHVRWQCOAQV-UHFFFAOYSA-N 2 2 248.330 0.194 20 0 BCADLP [NH3+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000653043756 411401782 /nfs/dbraw/zinc/40/17/82/411401782.db2.gz ZVMIACOPGLJOFU-SNVBAGLBSA-N 2 2 248.330 0.322 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccccc1 ZINC000653055831 411407257 /nfs/dbraw/zinc/40/72/57/411407257.db2.gz NCFCRGPCVUXRBC-LBPRGKRZSA-N 2 2 235.331 0.582 20 0 BCADLP CCC[C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653056857 411408510 /nfs/dbraw/zinc/40/85/10/411408510.db2.gz ATMZGAWSMHGCNT-VHSXEESVSA-N 2 2 215.341 0.570 20 0 BCADLP Cc1csc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)n1 ZINC000653057110 411408599 /nfs/dbraw/zinc/40/85/99/411408599.db2.gz PDTRQIPUTDVPFJ-MRVPVSSYSA-N 2 2 242.348 0.669 20 0 BCADLP CC(C)CN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653065384 411411324 /nfs/dbraw/zinc/41/13/24/411411324.db2.gz ASMHPGJVTGZMEM-SNVBAGLBSA-N 2 2 215.341 0.380 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccsc1 ZINC000653067973 411411755 /nfs/dbraw/zinc/41/17/55/411411755.db2.gz ROOLEYISQDAKLY-SNVBAGLBSA-N 2 2 241.360 0.643 20 0 BCADLP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000659437934 411414312 /nfs/dbraw/zinc/41/43/12/411414312.db2.gz SPALQZPPLPVZKR-UWVGGRQHSA-N 2 2 239.323 0.179 20 0 BCADLP C[NH2+]C[C@@H](C)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000659437933 411414645 /nfs/dbraw/zinc/41/46/45/411414645.db2.gz SPALQZPPLPVZKR-NXEZZACHSA-N 2 2 239.323 0.179 20 0 BCADLP CN(CC(C)(C)[NH3+])C(=O)NCc1[nH+]ccn1C ZINC000659452117 411416715 /nfs/dbraw/zinc/41/67/15/411416715.db2.gz XJFPHWGENOGMAT-UHFFFAOYSA-N 2 2 239.323 0.299 20 0 BCADLP CC[C@H](O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590563 411427241 /nfs/dbraw/zinc/42/72/41/411427241.db2.gz KXHIVPSTWAKTGU-MNOVXSKESA-N 2 2 223.320 0.980 20 0 BCADLP CC[C@H](O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590563 411427245 /nfs/dbraw/zinc/42/72/45/411427245.db2.gz KXHIVPSTWAKTGU-MNOVXSKESA-N 2 2 223.320 0.980 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(F)F)C1 ZINC000653593948 411428888 /nfs/dbraw/zinc/42/88/88/411428888.db2.gz YBPUHPCWTFYXBZ-VHSXEESVSA-N 2 2 236.306 0.886 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(F)F)C1 ZINC000653593948 411428890 /nfs/dbraw/zinc/42/88/90/411428890.db2.gz YBPUHPCWTFYXBZ-VHSXEESVSA-N 2 2 236.306 0.886 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000653593948 411428893 /nfs/dbraw/zinc/42/88/93/411428893.db2.gz YBPUHPCWTFYXBZ-VHSXEESVSA-N 2 2 236.306 0.886 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C(F)F)C1 ZINC000653593948 411428895 /nfs/dbraw/zinc/42/88/95/411428895.db2.gz YBPUHPCWTFYXBZ-VHSXEESVSA-N 2 2 236.306 0.886 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(F)F)C1 ZINC000653593946 411429323 /nfs/dbraw/zinc/42/93/23/411429323.db2.gz YBPUHPCWTFYXBZ-NXEZZACHSA-N 2 2 236.306 0.886 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(F)F)C1 ZINC000653593946 411429328 /nfs/dbraw/zinc/42/93/28/411429328.db2.gz YBPUHPCWTFYXBZ-NXEZZACHSA-N 2 2 236.306 0.886 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000653593946 411429330 /nfs/dbraw/zinc/42/93/30/411429330.db2.gz YBPUHPCWTFYXBZ-NXEZZACHSA-N 2 2 236.306 0.886 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000653593946 411429334 /nfs/dbraw/zinc/42/93/34/411429334.db2.gz YBPUHPCWTFYXBZ-NXEZZACHSA-N 2 2 236.306 0.886 20 0 BCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000654763850 411440698 /nfs/dbraw/zinc/44/06/98/411440698.db2.gz CFGPQRJBQQEXQD-LLVKDONJSA-N 2 2 239.363 0.491 20 0 BCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000654763850 411440701 /nfs/dbraw/zinc/44/07/01/411440701.db2.gz CFGPQRJBQQEXQD-LLVKDONJSA-N 2 2 239.363 0.491 20 0 BCADLP c1c[nH+]c(N2CC[NH+]([C@@H]3CCCOC3)CC2)[nH]1 ZINC000653644658 411452352 /nfs/dbraw/zinc/45/23/52/411452352.db2.gz CQSLEFMDMBYNJD-LLVKDONJSA-N 2 2 236.319 0.711 20 0 BCADLP c1cn(CC[N@@H+]2CCC[C@@H]3COC[C@@H]32)c[nH+]1 ZINC000657295059 411454150 /nfs/dbraw/zinc/45/41/50/411454150.db2.gz VIKBFQRDSJVDSQ-NEPJUHHUSA-N 2 2 221.304 0.994 20 0 BCADLP c1cn(CC[N@H+]2CCC[C@@H]3COC[C@@H]32)c[nH+]1 ZINC000657295059 411454153 /nfs/dbraw/zinc/45/41/53/411454153.db2.gz VIKBFQRDSJVDSQ-NEPJUHHUSA-N 2 2 221.304 0.994 20 0 BCADLP C[C@@H](CNCc1c[nH+]c2n1CCC2)[NH+](C)C ZINC000657348222 411474988 /nfs/dbraw/zinc/47/49/88/411474988.db2.gz OLCIJLXCTJETIL-JTQLQIEISA-N 2 2 222.336 0.869 20 0 BCADLP C[C@@H](NC(=O)NCC(C)(C)[NH3+])c1[nH+]ccn1C ZINC000659520689 411475530 /nfs/dbraw/zinc/47/55/30/411475530.db2.gz LODRALCJJSEUOL-MRVPVSSYSA-N 2 2 239.323 0.518 20 0 BCADLP Cc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)nc(C)n1 ZINC000659849700 411475848 /nfs/dbraw/zinc/47/58/48/411475848.db2.gz JDJVXVPQMWJAGY-VXGBXAGGSA-N 2 2 232.331 0.745 20 0 BCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000407262491 411476618 /nfs/dbraw/zinc/47/66/18/411476618.db2.gz LCCPPZMQZVXVHZ-RYUDHWBXSA-N 2 2 237.347 0.291 20 0 BCADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407289040 411476879 /nfs/dbraw/zinc/47/68/79/411476879.db2.gz HOYZOKFQSLNOIH-QWRGUYRKSA-N 2 2 248.330 0.599 20 0 BCADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)CO1 ZINC000657357408 411479532 /nfs/dbraw/zinc/47/95/32/411479532.db2.gz NRFNKXFOQMEPNF-YNEHKIRRSA-N 2 2 241.379 0.389 20 0 BCADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)CO1 ZINC000657357408 411479534 /nfs/dbraw/zinc/47/95/34/411479534.db2.gz NRFNKXFOQMEPNF-YNEHKIRRSA-N 2 2 241.379 0.389 20 0 BCADLP CC(C)(CO)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657357123 411479604 /nfs/dbraw/zinc/47/96/04/411479604.db2.gz XYPCNEISNLZVJV-UHFFFAOYSA-N 2 2 209.293 0.690 20 0 BCADLP CC(C)[C@@H](O)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657368260 411479990 /nfs/dbraw/zinc/47/99/90/411479990.db2.gz VHVCPXHXLQTNQC-NSHDSACASA-N 2 2 223.320 0.936 20 0 BCADLP O[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)C1CC1 ZINC000657368564 411480489 /nfs/dbraw/zinc/48/04/89/411480489.db2.gz SVXPQMMPKDJTKQ-LLVKDONJSA-N 2 2 221.304 0.690 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407368897 411481961 /nfs/dbraw/zinc/48/19/61/411481961.db2.gz LBSZWJHZTTWLQX-WDEREUQCSA-N 2 2 248.330 0.865 20 0 BCADLP COC[C@](C)(O)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657369203 411483390 /nfs/dbraw/zinc/48/33/90/411483390.db2.gz AMNCILRMZJMERH-GFCCVEGCSA-N 2 2 239.319 0.316 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CSC[NH2+]1 ZINC000070819153 411533558 /nfs/dbraw/zinc/53/35/58/411533558.db2.gz DLVBDHQCHJZCKL-ZETCQYMHSA-N 2 2 226.305 0.031 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H](CO)CC2CC2)n1C ZINC000657415726 411499617 /nfs/dbraw/zinc/49/96/17/411499617.db2.gz GTUMCDIFIFZMJE-LLVKDONJSA-N 2 2 223.320 0.979 20 0 BCADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCOC1)CCC2 ZINC000657416962 411501090 /nfs/dbraw/zinc/50/10/90/411501090.db2.gz YJTPXXGELVDEQE-VIFPVBQESA-N 2 2 207.277 0.708 20 0 BCADLP Cc1c[nH]c(C[NH2+]CCC[NH+]2CCC2)n1 ZINC000657424441 411504866 /nfs/dbraw/zinc/50/48/66/411504866.db2.gz WDESTUQNXPRWFZ-UHFFFAOYSA-N 2 2 208.309 0.904 20 0 BCADLP O=C(C[NH2+]Cc1c[nH+]c2n1CCC2)NCC1CC1 ZINC000657430450 411507808 /nfs/dbraw/zinc/50/78/08/411507808.db2.gz OAWDIEGKPZQUOA-UHFFFAOYSA-N 2 2 248.330 0.445 20 0 BCADLP OCCOCCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657430228 411508229 /nfs/dbraw/zinc/50/82/29/411508229.db2.gz OUQABEJOQQQYQC-UHFFFAOYSA-N 2 2 239.319 0.318 20 0 BCADLP OC[C@@]1([NH2+]Cc2c[nH+]c3n2CCC3)CCOC1 ZINC000657437501 411509997 /nfs/dbraw/zinc/50/99/97/411509997.db2.gz ZRRBOBUPUFECCR-LBPRGKRZSA-N 2 2 237.303 0.070 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CC[C@H](O)C2)n1C ZINC000657445813 411512956 /nfs/dbraw/zinc/51/29/56/411512956.db2.gz LBYHDNOHAWNZDB-PWSUYJOCSA-N 2 2 223.320 0.979 20 0 BCADLP C[C@H](CO)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657326115 411465109 /nfs/dbraw/zinc/46/51/09/411465109.db2.gz CGMWJMIYNBWVHM-VIFPVBQESA-N 2 2 209.293 0.547 20 0 BCADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CS(C)(=O)=O)C1 ZINC000081900485 170008524 /nfs/dbraw/zinc/00/85/24/170008524.db2.gz NBPWBTXKQUXEHV-QWRGUYRKSA-N 2 2 248.392 0.351 20 0 BCADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CS(C)(=O)=O)C1 ZINC000081900485 170008525 /nfs/dbraw/zinc/00/85/25/170008525.db2.gz NBPWBTXKQUXEHV-QWRGUYRKSA-N 2 2 248.392 0.351 20 0 BCADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc[nH]n2)C1 ZINC000037484306 170015549 /nfs/dbraw/zinc/01/55/49/170015549.db2.gz XAHMHRJIFYSNBI-SNVBAGLBSA-N 2 2 208.309 0.841 20 0 BCADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc[nH]n2)C1 ZINC000037484306 170015550 /nfs/dbraw/zinc/01/55/50/170015550.db2.gz XAHMHRJIFYSNBI-SNVBAGLBSA-N 2 2 208.309 0.841 20 0 BCADLP CO[C@](C)(CO)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657503915 411539152 /nfs/dbraw/zinc/53/91/52/411539152.db2.gz AISYWGOWLKCBCP-LBPRGKRZSA-N 2 2 239.319 0.316 20 0 BCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)COC ZINC000127436254 170024036 /nfs/dbraw/zinc/02/40/36/170024036.db2.gz WWRHMPPMBUACRS-FRRDWIJNSA-N 2 2 242.363 0.552 20 0 BCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)COC ZINC000127436254 170024037 /nfs/dbraw/zinc/02/40/37/170024037.db2.gz WWRHMPPMBUACRS-FRRDWIJNSA-N 2 2 242.363 0.552 20 0 BCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COC ZINC000127436254 170024038 /nfs/dbraw/zinc/02/40/38/170024038.db2.gz WWRHMPPMBUACRS-FRRDWIJNSA-N 2 2 242.363 0.552 20 0 BCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)COC ZINC000127436254 170024040 /nfs/dbraw/zinc/02/40/40/170024040.db2.gz WWRHMPPMBUACRS-FRRDWIJNSA-N 2 2 242.363 0.552 20 0 BCADLP CO[C@@](C)(CO)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657503914 411539349 /nfs/dbraw/zinc/53/93/49/411539349.db2.gz AISYWGOWLKCBCP-GFCCVEGCSA-N 2 2 239.319 0.316 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCNC(=O)C(C)C)C1 ZINC000358141496 170030930 /nfs/dbraw/zinc/03/09/30/170030930.db2.gz YSHNRMHOUPXFSV-NEPJUHHUSA-N 2 2 241.379 0.688 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCNC(=O)C(C)C)C1 ZINC000358141496 170030932 /nfs/dbraw/zinc/03/09/32/170030932.db2.gz YSHNRMHOUPXFSV-NEPJUHHUSA-N 2 2 241.379 0.688 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2(O)CCC2)C1 ZINC000336760003 170031436 /nfs/dbraw/zinc/03/14/36/170031436.db2.gz LKRCVAIZYCRVSY-GHMZBOCLSA-N 2 2 212.337 0.831 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2(O)CCC2)C1 ZINC000336760003 170031437 /nfs/dbraw/zinc/03/14/37/170031437.db2.gz LKRCVAIZYCRVSY-GHMZBOCLSA-N 2 2 212.337 0.831 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]C[C@H]2COCCO2)[C@@H](C)C1 ZINC000309921537 170037521 /nfs/dbraw/zinc/03/75/21/170037521.db2.gz SJICLQWEWGJNGZ-SRVKXCTJSA-N 2 2 228.336 0.332 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H]2COCCO2)[C@@H](C)C1 ZINC000309921537 170037522 /nfs/dbraw/zinc/03/75/22/170037522.db2.gz SJICLQWEWGJNGZ-SRVKXCTJSA-N 2 2 228.336 0.332 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](O)[C@H]2CCOC2)C1 ZINC000358052100 170037811 /nfs/dbraw/zinc/03/78/11/170037811.db2.gz XMOLTTJENBEHEY-RVMXOQNASA-N 2 2 242.363 0.314 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](O)[C@H]2CCOC2)C1 ZINC000358052100 170037813 /nfs/dbraw/zinc/03/78/13/170037813.db2.gz XMOLTTJENBEHEY-RVMXOQNASA-N 2 2 242.363 0.314 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](CO)C(C)C)C1 ZINC000336754483 170039593 /nfs/dbraw/zinc/03/95/93/170039593.db2.gz HKUZTDARPHTVNB-QJPTWQEYSA-N 2 2 214.353 0.933 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](CO)C(C)C)C1 ZINC000336754483 170039591 /nfs/dbraw/zinc/03/95/91/170039591.db2.gz HKUZTDARPHTVNB-QJPTWQEYSA-N 2 2 214.353 0.933 20 0 BCADLP CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918055 170060037 /nfs/dbraw/zinc/06/00/37/170060037.db2.gz YGAVDPHPOGLOPH-NEPJUHHUSA-N 2 2 239.363 0.587 20 0 BCADLP CCNC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918055 170060038 /nfs/dbraw/zinc/06/00/38/170060038.db2.gz YGAVDPHPOGLOPH-NEPJUHHUSA-N 2 2 239.363 0.587 20 0 BCADLP CCNC(=O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000035135910 170064160 /nfs/dbraw/zinc/06/41/60/170064160.db2.gz BATUDEDGJFOVJF-UHFFFAOYSA-N 2 2 227.352 0.585 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H](CO)C2CCC2)n1C ZINC000657558406 411550773 /nfs/dbraw/zinc/55/07/73/411550773.db2.gz DTYWWKFNGFHJGU-LBPRGKRZSA-N 2 2 223.320 0.979 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)Cc1ncc[nH]1 ZINC000660143191 411544789 /nfs/dbraw/zinc/54/47/89/411544789.db2.gz SGJPXYUNVGXUDT-UHFFFAOYSA-N 2 2 219.292 0.818 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1ncc[nH]1 ZINC000660143191 411544791 /nfs/dbraw/zinc/54/47/91/411544791.db2.gz SGJPXYUNVGXUDT-UHFFFAOYSA-N 2 2 219.292 0.818 20 0 BCADLP CCOC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000069626805 170218708 /nfs/dbraw/zinc/21/87/08/170218708.db2.gz DHWSNMYBIPJSJU-NXEZZACHSA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000069626805 170218709 /nfs/dbraw/zinc/21/87/09/170218709.db2.gz DHWSNMYBIPJSJU-NXEZZACHSA-N 2 2 214.309 0.609 20 0 BCADLP OC/C=C\C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657593819 411559877 /nfs/dbraw/zinc/55/98/77/411559877.db2.gz LGJXZPDCOCMEGY-UPHRSURJSA-N 2 2 207.277 0.467 20 0 BCADLP CCOCCC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000011886012 170373299 /nfs/dbraw/zinc/37/32/99/170373299.db2.gz DIYVDPORTJBPLV-SNVBAGLBSA-N 2 2 202.298 0.073 20 0 BCADLP CCOCCC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000011886012 170373301 /nfs/dbraw/zinc/37/33/01/170373301.db2.gz DIYVDPORTJBPLV-SNVBAGLBSA-N 2 2 202.298 0.073 20 0 BCADLP C[C@H](C[NH2+][C@H]1CCCNC(=O)C1)[N@H+](C)C1CC1 ZINC000217952637 411588663 /nfs/dbraw/zinc/58/86/63/411588663.db2.gz WZXHQPFQWOLBIO-MNOVXSKESA-N 2 2 239.363 0.727 20 0 BCADLP C[C@H](C[NH2+][C@H]1CCCNC(=O)C1)[N@@H+](C)C1CC1 ZINC000217952637 411588665 /nfs/dbraw/zinc/58/86/65/411588665.db2.gz WZXHQPFQWOLBIO-MNOVXSKESA-N 2 2 239.363 0.727 20 0 BCADLP C[C@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660472388 411590226 /nfs/dbraw/zinc/59/02/26/411590226.db2.gz FMPYADPLIPBXAT-STQMWFEESA-N 2 2 242.363 0.554 20 0 BCADLP C[C@H](O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660472388 411590228 /nfs/dbraw/zinc/59/02/28/411590228.db2.gz FMPYADPLIPBXAT-STQMWFEESA-N 2 2 242.363 0.554 20 0 BCADLP CC[N@@H+]1CCN(Cc2cn(C)c[nH+]2)[C@H](C)C1 ZINC000660534573 411596483 /nfs/dbraw/zinc/59/64/83/411596483.db2.gz GMSOOPIWURPCSG-LLVKDONJSA-N 2 2 222.336 0.946 20 0 BCADLP CC[N@H+]1CCN(Cc2cn(C)c[nH+]2)[C@H](C)C1 ZINC000660534573 411596485 /nfs/dbraw/zinc/59/64/85/411596485.db2.gz GMSOOPIWURPCSG-LLVKDONJSA-N 2 2 222.336 0.946 20 0 BCADLP Cn1c[nH+]c(CN2CC[C@@H]3C[N@H+](C)C[C@H]32)c1 ZINC000660611421 411607481 /nfs/dbraw/zinc/60/74/81/411607481.db2.gz QSROAKVISDWEME-ZYHUDNBSSA-N 2 2 220.320 0.556 20 0 BCADLP Cn1c[nH+]c(CN2CC[C@@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000660611421 411607482 /nfs/dbraw/zinc/60/74/82/411607482.db2.gz QSROAKVISDWEME-ZYHUDNBSSA-N 2 2 220.320 0.556 20 0 BCADLP Cn1c[nH+]c(CN2CC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000660611415 411607515 /nfs/dbraw/zinc/60/75/15/411607515.db2.gz QSROAKVISDWEME-CMPLNLGQSA-N 2 2 220.320 0.556 20 0 BCADLP Cn1c[nH+]c(CN2CC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000660611415 411607516 /nfs/dbraw/zinc/60/75/16/411607516.db2.gz QSROAKVISDWEME-CMPLNLGQSA-N 2 2 220.320 0.556 20 0 BCADLP CC(C)[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1COC1 ZINC000660648738 411612697 /nfs/dbraw/zinc/61/26/97/411612697.db2.gz WPXAOKNYKBWFNQ-CYBMUJFWSA-N 2 2 244.379 0.797 20 0 BCADLP CC(C)[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1COC1 ZINC000660648738 411612698 /nfs/dbraw/zinc/61/26/98/411612698.db2.gz WPXAOKNYKBWFNQ-CYBMUJFWSA-N 2 2 244.379 0.797 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C(C)C)C1COC1 ZINC000660648738 411612700 /nfs/dbraw/zinc/61/27/00/411612700.db2.gz WPXAOKNYKBWFNQ-CYBMUJFWSA-N 2 2 244.379 0.797 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C(C)C)C1COC1 ZINC000660648738 411612702 /nfs/dbraw/zinc/61/27/02/411612702.db2.gz WPXAOKNYKBWFNQ-CYBMUJFWSA-N 2 2 244.379 0.797 20 0 BCADLP CCNC(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660652053 411613457 /nfs/dbraw/zinc/61/34/57/411613457.db2.gz FRCZXRLRBJXPEU-CYBMUJFWSA-N 2 2 239.363 0.540 20 0 BCADLP CCNC(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660652053 411613458 /nfs/dbraw/zinc/61/34/58/411613458.db2.gz FRCZXRLRBJXPEU-CYBMUJFWSA-N 2 2 239.363 0.540 20 0 BCADLP CCNC(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660652053 411613460 /nfs/dbraw/zinc/61/34/60/411613460.db2.gz FRCZXRLRBJXPEU-CYBMUJFWSA-N 2 2 239.363 0.540 20 0 BCADLP CCNC(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660652053 411613461 /nfs/dbraw/zinc/61/34/61/411613461.db2.gz FRCZXRLRBJXPEU-CYBMUJFWSA-N 2 2 239.363 0.540 20 0 BCADLP Cn1ncc2c1CCC[C@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000086727402 487536299 /nfs/dbraw/zinc/53/62/99/487536299.db2.gz OGXOQEVNORAPSW-MWLCHTKSSA-N 2 2 220.320 0.749 20 0 BCADLP COC[C@H](C)[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000133341717 411713199 /nfs/dbraw/zinc/71/31/99/411713199.db2.gz PJDHEXKXMXOFSY-AEJSXWLSSA-N 2 2 202.298 0.069 20 0 BCADLP COC[C@H](C)[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000133341717 411713205 /nfs/dbraw/zinc/71/32/05/411713205.db2.gz PJDHEXKXMXOFSY-AEJSXWLSSA-N 2 2 202.298 0.069 20 0 BCADLP CC(C)N(C(=O)C[N@H+](C)CCC[NH3+])C(C)C ZINC000133206811 411655653 /nfs/dbraw/zinc/65/56/53/411655653.db2.gz GRNMIEWYWHQVER-UHFFFAOYSA-N 2 2 229.368 0.912 20 0 BCADLP CC(C)N(C(=O)C[N@@H+](C)CCC[NH3+])C(C)C ZINC000133206811 411655656 /nfs/dbraw/zinc/65/56/56/411655656.db2.gz GRNMIEWYWHQVER-UHFFFAOYSA-N 2 2 229.368 0.912 20 0 BCADLP CCCN(CCC)C(=O)C[N@H+](C)CCC[NH3+] ZINC000133221527 411657998 /nfs/dbraw/zinc/65/79/98/411657998.db2.gz QVZKANDZNSEIOD-UHFFFAOYSA-N 2 2 229.368 0.916 20 0 BCADLP CCCN(CCC)C(=O)C[N@@H+](C)CCC[NH3+] ZINC000133221527 411658001 /nfs/dbraw/zinc/65/80/01/411658001.db2.gz QVZKANDZNSEIOD-UHFFFAOYSA-N 2 2 229.368 0.916 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663493452 411670877 /nfs/dbraw/zinc/67/08/77/411670877.db2.gz BSKCMOAHYJLPPT-WHOHXGKFSA-N 3 2 209.337 0.265 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663493452 411670880 /nfs/dbraw/zinc/67/08/80/411670880.db2.gz BSKCMOAHYJLPPT-WHOHXGKFSA-N 3 2 209.337 0.265 20 0 BCADLP C[N@H+](C[C@@]12C[C@@H]1C[NH2+]C2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000663493325 411672679 /nfs/dbraw/zinc/67/26/79/411672679.db2.gz AEASRSNPRLSNQW-YIPFDTCYSA-N 3 2 235.375 0.811 20 0 BCADLP C[N@@H+](C[C@@]12C[C@@H]1C[NH2+]C2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000663493325 411672681 /nfs/dbraw/zinc/67/26/81/411672681.db2.gz AEASRSNPRLSNQW-YIPFDTCYSA-N 3 2 235.375 0.811 20 0 BCADLP C[N@H+](C[C@]12C[C@H]1C[NH2+]C2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000663493322 411673030 /nfs/dbraw/zinc/67/30/30/411673030.db2.gz AEASRSNPRLSNQW-BEUHCMRWSA-N 3 2 235.375 0.811 20 0 BCADLP C[N@@H+](C[C@]12C[C@H]1C[NH2+]C2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000663493322 411673036 /nfs/dbraw/zinc/67/30/36/411673036.db2.gz AEASRSNPRLSNQW-BEUHCMRWSA-N 3 2 235.375 0.811 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)CC[C@@H]1[NH3+] ZINC000663494380 411673546 /nfs/dbraw/zinc/67/35/46/411673546.db2.gz IPBJEFWMSWEKDO-WYUUTHIRSA-N 3 2 209.337 0.265 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)CC[C@@H]1[NH3+] ZINC000663494380 411673552 /nfs/dbraw/zinc/67/35/52/411673552.db2.gz IPBJEFWMSWEKDO-WYUUTHIRSA-N 3 2 209.337 0.265 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663494708 411674645 /nfs/dbraw/zinc/67/46/45/411674645.db2.gz KQPQPELUQDWIDE-RWMBFGLXSA-N 3 2 223.364 0.527 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663494708 411674649 /nfs/dbraw/zinc/67/46/49/411674649.db2.gz KQPQPELUQDWIDE-RWMBFGLXSA-N 3 2 223.364 0.527 20 0 BCADLP C[NH2+]C1CC[NH+](C[C@]23C[C@H]2C[NH2+]C3)CC1 ZINC000663494557 411675725 /nfs/dbraw/zinc/67/57/25/411675725.db2.gz JJKUPPDRPPQXPT-CMPLNLGQSA-N 3 2 209.337 0.280 20 0 BCADLP CCC([NH3+])(CC)C[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663495593 411675840 /nfs/dbraw/zinc/67/58/40/411675840.db2.gz ZLSPIBIKPCWWMF-MNOVXSKESA-N 3 2 211.353 0.703 20 0 BCADLP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cn(C)nn1 ZINC000663499337 411683761 /nfs/dbraw/zinc/68/37/61/411683761.db2.gz YIGLSXJQZNIQJS-SNVBAGLBSA-N 2 2 211.313 0.278 20 0 BCADLP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663499978 411684450 /nfs/dbraw/zinc/68/44/50/411684450.db2.gz HOGIKCJQJLHLNH-CQLXCSJHSA-N 3 2 223.364 0.859 20 0 BCADLP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC000663502209 411685803 /nfs/dbraw/zinc/68/58/03/411685803.db2.gz FLXNYSWFMYLICF-GRYCIOLGSA-N 3 2 213.369 0.947 20 0 BCADLP C([NH2+][C@@H]1CCC[NH2+]CC1)C12CC(C1)C[NH2+]2 ZINC000663501505 411686376 /nfs/dbraw/zinc/68/63/76/411686376.db2.gz WWBVUWRSYKGPCC-MOENNCHZSA-N 3 2 209.337 0.470 20 0 BCADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000663501299 411686428 /nfs/dbraw/zinc/68/64/28/411686428.db2.gz UYFCWMNPXDBBNT-IGJPJIBNSA-N 3 2 223.364 0.716 20 0 BCADLP Cc1ccc(O)c(C[NH2+]CC23CC(C2)C[NH2+]3)n1 ZINC000663501993 411686437 /nfs/dbraw/zinc/68/64/37/411686437.db2.gz NBBBZHQKAGQOPK-UHFFFAOYSA-N 2 2 233.315 0.937 20 0 BCADLP CNC(=O)c1ccc(C[NH2+][C@@H](C)C[NH2+]C)cc1 ZINC000663507976 411689066 /nfs/dbraw/zinc/68/90/66/411689066.db2.gz FLXBQPAVNFSREN-JTQLQIEISA-N 2 2 235.331 0.744 20 0 BCADLP CCn1nccc1C[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC000663510300 411692322 /nfs/dbraw/zinc/69/23/22/411692322.db2.gz DCTNWTCQRWBZPI-MNOVXSKESA-N 2 2 222.336 0.991 20 0 BCADLP CCn1nccc1C[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000663510303 411693168 /nfs/dbraw/zinc/69/31/68/411693168.db2.gz DCTNWTCQRWBZPI-QWRGUYRKSA-N 2 2 222.336 0.991 20 0 BCADLP C([C@@H]1CCSC1)[N@@H+]1CCOC2(C[NH2+]C2)C1 ZINC000663510569 411693210 /nfs/dbraw/zinc/69/32/10/411693210.db2.gz PXTVWRKBDTURMT-JTQLQIEISA-N 2 2 228.361 0.414 20 0 BCADLP C([C@@H]1CCSC1)[N@H+]1CCOC2(C[NH2+]C2)C1 ZINC000663510569 411693213 /nfs/dbraw/zinc/69/32/13/411693213.db2.gz PXTVWRKBDTURMT-JTQLQIEISA-N 2 2 228.361 0.414 20 0 BCADLP Cc1c[nH+]c(C)nc1NC[C@H]1C[N@@H+](C)CCN1C ZINC000580605022 411736411 /nfs/dbraw/zinc/73/64/11/411736411.db2.gz GNMPRTHWBQONOQ-LBPRGKRZSA-N 2 2 249.362 0.751 20 0 BCADLP Cc1c[nH+]c(C)nc1NC[C@H]1C[N@H+](C)CCN1C ZINC000580605022 411736415 /nfs/dbraw/zinc/73/64/15/411736415.db2.gz GNMPRTHWBQONOQ-LBPRGKRZSA-N 2 2 249.362 0.751 20 0 BCADLP C[C@@H]1C[NH+](CCc2c[nH+]cn2C)C[C@@H](C)C1O ZINC000661621599 411820473 /nfs/dbraw/zinc/82/04/73/411820473.db2.gz OASWDRAVQLAJSO-GHMZBOCLSA-N 2 2 237.347 0.911 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000420271330 411824963 /nfs/dbraw/zinc/82/49/63/411824963.db2.gz VNTPMAPPXTWXIO-SFYZADRCSA-N 2 2 206.293 1.502 20 0 BCADLP Cn1c(N[C@H]2CC[NH2+]C2)[nH+]c2cccc(F)c21 ZINC000334979443 411828542 /nfs/dbraw/zinc/82/85/42/411828542.db2.gz IEBPFHHSWWVZHE-QMMMGPOBSA-N 2 2 234.278 1.486 20 0 BCADLP C[C@]12COC[C@H]1C[N@H+](CCn1cc[nH+]c1)C2 ZINC000661699319 411845699 /nfs/dbraw/zinc/84/56/99/411845699.db2.gz JSOWHZXZLPQWEZ-NEPJUHHUSA-N 2 2 221.304 0.851 20 0 BCADLP C[C@]12COC[C@H]1C[N@@H+](CCn1cc[nH+]c1)C2 ZINC000661699319 411845703 /nfs/dbraw/zinc/84/57/03/411845703.db2.gz JSOWHZXZLPQWEZ-NEPJUHHUSA-N 2 2 221.304 0.851 20 0 BCADLP C[C@]12COC[C@@H]1C[N@H+](CCn1cc[nH+]c1)C2 ZINC000661699322 411846426 /nfs/dbraw/zinc/84/64/26/411846426.db2.gz JSOWHZXZLPQWEZ-RYUDHWBXSA-N 2 2 221.304 0.851 20 0 BCADLP C[C@]12COC[C@@H]1C[N@@H+](CCn1cc[nH+]c1)C2 ZINC000661699322 411846432 /nfs/dbraw/zinc/84/64/32/411846432.db2.gz JSOWHZXZLPQWEZ-RYUDHWBXSA-N 2 2 221.304 0.851 20 0 BCADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(N)nc1 ZINC000647547238 411859680 /nfs/dbraw/zinc/85/96/80/411859680.db2.gz SHRQGUWSDKRWBJ-SECBINFHSA-N 2 2 208.309 0.751 20 0 BCADLP CC1(C)C[NH2+][C@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000644084519 411889212 /nfs/dbraw/zinc/88/92/12/411889212.db2.gz YSSYMOTYVCFOFH-VIFPVBQESA-N 2 2 220.276 0.600 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cnc(N)s1 ZINC000580714588 411890639 /nfs/dbraw/zinc/89/06/39/411890639.db2.gz BJYPQWMPJHMPLQ-MRVPVSSYSA-N 2 2 226.349 0.955 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(N)nc1 ZINC000647547752 411890668 /nfs/dbraw/zinc/89/06/68/411890668.db2.gz BXFDTVPGQRHBTP-SNVBAGLBSA-N 2 2 220.320 0.894 20 0 BCADLP C[NH2+][C@@H](C)c1cn(Cc2cc[nH+]c(N)c2)nn1 ZINC000641069103 411904032 /nfs/dbraw/zinc/90/40/32/411904032.db2.gz WZGDPVKFAHPQPG-QMMMGPOBSA-N 2 2 232.291 0.584 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccnc(N)c1 ZINC000631863401 411907373 /nfs/dbraw/zinc/90/73/73/411907373.db2.gz ZUBZHWSHXLNMFU-SCZZXKLOSA-N 2 2 206.293 0.585 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccnc(N)c1 ZINC000631863401 411907379 /nfs/dbraw/zinc/90/73/79/411907379.db2.gz ZUBZHWSHXLNMFU-SCZZXKLOSA-N 2 2 206.293 0.585 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CN1Cc1cc[nH+]c(N)c1 ZINC000631863401 411907383 /nfs/dbraw/zinc/90/73/83/411907383.db2.gz ZUBZHWSHXLNMFU-SCZZXKLOSA-N 2 2 206.293 0.585 20 0 BCADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N)nc2)C[NH2+]1 ZINC000629660040 411907828 /nfs/dbraw/zinc/90/78/28/411907828.db2.gz MMBJZVGNFDJGPR-MWLCHTKSSA-N 2 2 220.320 0.894 20 0 BCADLP C[C@@]1(F)C[NH2+]CCN(Cc2cc[nH+]c(N)c2)C1 ZINC000420323100 411909394 /nfs/dbraw/zinc/90/93/94/411909394.db2.gz ATRNIRMCMJDDOY-GFCCVEGCSA-N 2 2 238.310 0.797 20 0 BCADLP C[C@@H]1[NH2+]CCN(Cc2cc[nH+]c(N)c2)[C@H]1C ZINC000420306404 411912312 /nfs/dbraw/zinc/91/23/12/411912312.db2.gz HICUQBSDWJBLNK-UWVGGRQHSA-N 2 2 220.320 0.846 20 0 BCADLP Nc1cc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)cc[nH+]1 ZINC000631852549 411939242 /nfs/dbraw/zinc/93/92/42/411939242.db2.gz VCMBISIPPSNXAT-PHIMTYICSA-N 2 2 218.304 0.600 20 0 BCADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cnc(N)s1 ZINC000564970837 411877760 /nfs/dbraw/zinc/87/77/60/411877760.db2.gz NRIMFSLRLQQAIN-MRVPVSSYSA-N 2 2 214.338 0.798 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CN(Cc2cc[nH+]c(N)c2)CCO1 ZINC000647865766 411884190 /nfs/dbraw/zinc/88/41/90/411884190.db2.gz SABLKVKHZWTGOU-MWLCHTKSSA-N 2 2 236.319 0.212 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CN(Cc2cc[nH+]c(N)c2)CCO1 ZINC000647865765 411884760 /nfs/dbraw/zinc/88/47/60/411884760.db2.gz SABLKVKHZWTGOU-KOLCDFICSA-N 2 2 236.319 0.212 20 0 BCADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@]1(C)CO ZINC000662140557 412001715 /nfs/dbraw/zinc/00/17/15/412001715.db2.gz CQTDZJQNFGZEBL-VXGBXAGGSA-N 2 2 223.320 0.833 20 0 BCADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@]1(C)CO ZINC000662140557 412001716 /nfs/dbraw/zinc/00/17/16/412001716.db2.gz CQTDZJQNFGZEBL-VXGBXAGGSA-N 2 2 223.320 0.833 20 0 BCADLP Nc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cn1 ZINC000647552352 411954406 /nfs/dbraw/zinc/95/44/06/411954406.db2.gz UCLAKCWWNACXET-UHFFFAOYSA-N 2 2 232.331 0.992 20 0 BCADLP Nc1ccc(NC(=O)[C@@H]([NH3+])CC(F)F)c[nH+]1 ZINC000647756190 411956756 /nfs/dbraw/zinc/95/67/56/411956756.db2.gz ZRAOHAMOBNZUTL-LURJTMIESA-N 2 2 230.218 0.585 20 0 BCADLP Nc1ccc(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)c[nH+]1 ZINC000372430928 411957938 /nfs/dbraw/zinc/95/79/38/411957938.db2.gz IYZRIFQBKXCMON-JOYOIKCWSA-N 2 2 232.287 0.602 20 0 BCADLP Nc1ccc(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)c[nH+]1 ZINC000372430927 411958045 /nfs/dbraw/zinc/95/80/45/411958045.db2.gz IYZRIFQBKXCMON-CABZTGNLSA-N 2 2 232.287 0.602 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662243705 412039616 /nfs/dbraw/zinc/03/96/16/412039616.db2.gz OXZNUPZQHXXMOK-VXGBXAGGSA-N 3 2 239.363 0.321 20 0 BCADLP [NH3+]C[C@H]1CCCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662243705 412039618 /nfs/dbraw/zinc/03/96/18/412039618.db2.gz OXZNUPZQHXXMOK-VXGBXAGGSA-N 3 2 239.363 0.321 20 0 BCADLP CO[C@H](C[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1)C1CCC1 ZINC000662247878 412045103 /nfs/dbraw/zinc/04/51/03/412045103.db2.gz NOMZMDAJEDGAIX-KGYLQXTDSA-N 2 2 242.363 0.850 20 0 BCADLP CO[C@H](C[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1)C1CCC1 ZINC000662247878 412045105 /nfs/dbraw/zinc/04/51/05/412045105.db2.gz NOMZMDAJEDGAIX-KGYLQXTDSA-N 2 2 242.363 0.850 20 0 BCADLP COCC[N@H+](C[C@H]1C[NH2+]CCO1)C1CCCC1 ZINC000662257386 412051100 /nfs/dbraw/zinc/05/11/00/412051100.db2.gz NGSSJZLKWLQPEI-CYBMUJFWSA-N 2 2 242.363 0.866 20 0 BCADLP COCC[N@@H+](C[C@H]1C[NH2+]CCO1)C1CCCC1 ZINC000662257386 412051104 /nfs/dbraw/zinc/05/11/04/412051104.db2.gz NGSSJZLKWLQPEI-CYBMUJFWSA-N 2 2 242.363 0.866 20 0 BCADLP Cc1nnc([C@H](C)[N@@H+]2CC[C@@](C)(C[NH3+])C2)[nH]1 ZINC000662271454 412062449 /nfs/dbraw/zinc/06/24/49/412062449.db2.gz HFJZOTXEPPKGFL-KWQFWETISA-N 2 2 223.324 0.845 20 0 BCADLP Cc1nnc([C@H](C)[N@H+]2CC[C@@](C)(C[NH3+])C2)[nH]1 ZINC000662271454 412062452 /nfs/dbraw/zinc/06/24/52/412062452.db2.gz HFJZOTXEPPKGFL-KWQFWETISA-N 2 2 223.324 0.845 20 0 BCADLP Cc1cc(C[N@@H+](C)C2CC([NH3+])C2)ncn1 ZINC000662273537 412064906 /nfs/dbraw/zinc/06/49/06/412064906.db2.gz OCCIEUCXXKQXAK-UHFFFAOYSA-N 2 2 206.293 0.707 20 0 BCADLP Cc1cc(C[N@H+](C)C2CC([NH3+])C2)ncn1 ZINC000662273537 412064911 /nfs/dbraw/zinc/06/49/11/412064911.db2.gz OCCIEUCXXKQXAK-UHFFFAOYSA-N 2 2 206.293 0.707 20 0 BCADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662273200 412065901 /nfs/dbraw/zinc/06/59/01/412065901.db2.gz MVYSXCMIHGZKLS-NWDGAFQWSA-N 3 2 227.352 0.178 20 0 BCADLP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662273200 412065904 /nfs/dbraw/zinc/06/59/04/412065904.db2.gz MVYSXCMIHGZKLS-NWDGAFQWSA-N 3 2 227.352 0.178 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000290201211 171148415 /nfs/dbraw/zinc/14/84/15/171148415.db2.gz RIPFHSBDWARGPU-UWVGGRQHSA-N 2 2 236.319 0.424 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000289860995 171149053 /nfs/dbraw/zinc/14/90/53/171149053.db2.gz CUQINRGZZPYMNH-BDAKNGLRSA-N 2 2 222.292 0.414 20 0 BCADLP CCN1CC[C@H]([NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)C1=O ZINC000662276524 412069298 /nfs/dbraw/zinc/06/92/98/412069298.db2.gz JMHXJKJPLNHKIW-WISYIIOYSA-N 2 2 239.363 0.583 20 0 BCADLP COCC1(C)CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662278689 412071575 /nfs/dbraw/zinc/07/15/75/412071575.db2.gz KERVMRXHIMFYHB-LBPRGKRZSA-N 2 2 242.363 0.723 20 0 BCADLP CC[C@H](C(=O)NCCCn1cc[nH+]c1)[NH+](C)C ZINC000124441058 171229004 /nfs/dbraw/zinc/22/90/04/171229004.db2.gz NRFZUALVPSVWIB-LLVKDONJSA-N 2 2 238.335 0.730 20 0 BCADLP CC[C@H](C(=O)NCc1[nH]cc[nH+]1)[NH+](C)C ZINC000125375824 171231087 /nfs/dbraw/zinc/23/10/87/171231087.db2.gz GOLVKTACEMJAKG-MRVPVSSYSA-N 2 2 210.281 0.366 20 0 BCADLP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000662282402 412073325 /nfs/dbraw/zinc/07/33/25/412073325.db2.gz HEZBNYMWEDDTTK-XQHKEYJVSA-N 3 2 241.379 0.280 20 0 BCADLP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000662282402 412073328 /nfs/dbraw/zinc/07/33/28/412073328.db2.gz HEZBNYMWEDDTTK-XQHKEYJVSA-N 3 2 241.379 0.280 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccccn1 ZINC000662284578 412074597 /nfs/dbraw/zinc/07/45/97/412074597.db2.gz ZEDGYKIXXWIKKP-MNOVXSKESA-N 2 2 221.304 0.721 20 0 BCADLP C[C@H]1CN(CC[N@H+](C)CC(C)(C)[NH3+])CCO1 ZINC000662294757 412082579 /nfs/dbraw/zinc/08/25/79/412082579.db2.gz MPAFHDKOROYGGA-NSHDSACASA-N 2 2 229.368 0.376 20 0 BCADLP C[C@H]1CN(CC[N@@H+](C)CC(C)(C)[NH3+])CCO1 ZINC000662294757 412082582 /nfs/dbraw/zinc/08/25/82/412082582.db2.gz MPAFHDKOROYGGA-NSHDSACASA-N 2 2 229.368 0.376 20 0 BCADLP C[C@H](CO)[C@@H]1CCCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662300719 412085620 /nfs/dbraw/zinc/08/56/20/412085620.db2.gz HWLVNEJAHNNVBQ-UPJWGTAASA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H](CO)[C@@H]1CCCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662300719 412085623 /nfs/dbraw/zinc/08/56/23/412085623.db2.gz HWLVNEJAHNNVBQ-UPJWGTAASA-N 2 2 242.363 0.458 20 0 BCADLP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000358007071 171322700 /nfs/dbraw/zinc/32/27/00/171322700.db2.gz RKPNXQSWFWYWEM-SDDRHHMPSA-N 2 2 241.379 0.831 20 0 BCADLP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000358007071 171322701 /nfs/dbraw/zinc/32/27/01/171322701.db2.gz RKPNXQSWFWYWEM-SDDRHHMPSA-N 2 2 241.379 0.831 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+](C)CCC[NH3+] ZINC000019834729 171324078 /nfs/dbraw/zinc/32/40/78/171324078.db2.gz ULMKPAKPJOSYDR-VIFPVBQESA-N 2 2 201.314 0.182 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000019834729 171324079 /nfs/dbraw/zinc/32/40/79/171324079.db2.gz ULMKPAKPJOSYDR-VIFPVBQESA-N 2 2 201.314 0.182 20 0 BCADLP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342120434 171332602 /nfs/dbraw/zinc/33/26/02/171332602.db2.gz IBBULINEMXZCEP-VHSXEESVSA-N 2 2 227.352 0.761 20 0 BCADLP CC[NH+]1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000665069303 412079277 /nfs/dbraw/zinc/07/92/77/412079277.db2.gz WKYXYFMBNPMCGF-UHFFFAOYSA-N 2 2 225.336 0.245 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC2CC1(C)C2 ZINC000662385189 412137291 /nfs/dbraw/zinc/13/72/91/412137291.db2.gz MQIIMLGWNUNPDG-OTTFEQOBSA-N 2 2 242.363 0.410 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC2CC1(C)C2 ZINC000662385189 412137294 /nfs/dbraw/zinc/13/72/94/412137294.db2.gz MQIIMLGWNUNPDG-OTTFEQOBSA-N 2 2 242.363 0.410 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC2CC1(C)C2 ZINC000662385189 412137297 /nfs/dbraw/zinc/13/72/97/412137297.db2.gz MQIIMLGWNUNPDG-OTTFEQOBSA-N 2 2 242.363 0.410 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC2CC1(C)C2 ZINC000662385189 412137301 /nfs/dbraw/zinc/13/73/01/412137301.db2.gz MQIIMLGWNUNPDG-OTTFEQOBSA-N 2 2 242.363 0.410 20 0 BCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)Cc1[nH+]ccn1C ZINC000037822999 171392919 /nfs/dbraw/zinc/39/29/19/171392919.db2.gz UWYPCUNNBAHPFS-ONGXEEELSA-N 2 2 238.335 0.752 20 0 BCADLP CCCCNC(=O)CC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662304419 412088332 /nfs/dbraw/zinc/08/83/32/412088332.db2.gz RSRQILJZHDNFNW-UHFFFAOYSA-N 2 2 239.363 0.716 20 0 BCADLP [NH3+]CC12CC(C1)C[N@@H+]2CCOCC1CC1 ZINC000662304357 412088959 /nfs/dbraw/zinc/08/89/59/412088959.db2.gz OWFKGCRAFJUDAH-UHFFFAOYSA-N 2 2 210.321 0.836 20 0 BCADLP [NH3+]CC12CC(C1)C[N@H+]2CCOCC1CC1 ZINC000662304357 412088960 /nfs/dbraw/zinc/08/89/60/412088960.db2.gz OWFKGCRAFJUDAH-UHFFFAOYSA-N 2 2 210.321 0.836 20 0 BCADLP C[C@@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000662315210 412096430 /nfs/dbraw/zinc/09/64/30/412096430.db2.gz QPVQCQDXOOHJAY-GRYCIOLGSA-N 2 2 228.336 0.474 20 0 BCADLP C[C@@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000662315210 412096433 /nfs/dbraw/zinc/09/64/33/412096433.db2.gz QPVQCQDXOOHJAY-GRYCIOLGSA-N 2 2 228.336 0.474 20 0 BCADLP COC[C@@H](C[N@@H+]1CC[C@@H](F)[C@H]([NH3+])C1)OC ZINC000662326367 412103298 /nfs/dbraw/zinc/10/32/98/412103298.db2.gz SILJFOULWAJBPK-OPRDCNLKSA-N 2 2 220.288 0.019 20 0 BCADLP COC[C@@H](C[N@H+]1CC[C@@H](F)[C@H]([NH3+])C1)OC ZINC000662326367 412103302 /nfs/dbraw/zinc/10/33/02/412103302.db2.gz SILJFOULWAJBPK-OPRDCNLKSA-N 2 2 220.288 0.019 20 0 BCADLP C[C@@]1(C(F)F)C[N@H+](CCOCC[NH3+])CCO1 ZINC000662335216 412106871 /nfs/dbraw/zinc/10/68/71/412106871.db2.gz HHOXANRRECZTSA-JTQLQIEISA-N 2 2 238.278 0.318 20 0 BCADLP C[C@@]1(C(F)F)C[N@@H+](CCOCC[NH3+])CCO1 ZINC000662335216 412106874 /nfs/dbraw/zinc/10/68/74/412106874.db2.gz HHOXANRRECZTSA-JTQLQIEISA-N 2 2 238.278 0.318 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNc1cnccn1 ZINC000532551710 412132448 /nfs/dbraw/zinc/13/24/48/412132448.db2.gz CZLOMLWKXZTFTF-MNOVXSKESA-N 2 2 235.335 0.428 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNc1cnccn1 ZINC000532551710 412132451 /nfs/dbraw/zinc/13/24/51/412132451.db2.gz CZLOMLWKXZTFTF-MNOVXSKESA-N 2 2 235.335 0.428 20 0 BCADLP CC[C@H]([NH2+]C)C(=O)NCc1[nH+]ccn1C ZINC000662446128 412177427 /nfs/dbraw/zinc/17/74/27/412177427.db2.gz XPRYRPWWBZLLCN-QMMMGPOBSA-N 2 2 210.281 0.034 20 0 BCADLP Cn1cc[nH+]c1[C@H](N[C@H]1CC[NH2+]C1)C1CC1 ZINC000665242901 412186579 /nfs/dbraw/zinc/18/65/79/412186579.db2.gz OACGAMVXUWFRCW-WDEREUQCSA-N 2 2 220.320 0.823 20 0 BCADLP CCn1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])nn1 ZINC000665245126 412189769 /nfs/dbraw/zinc/18/97/69/412189769.db2.gz AEZRFNZIGUAACR-IUCAKERBSA-N 2 2 211.313 0.513 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422749248 412172898 /nfs/dbraw/zinc/17/28/98/412172898.db2.gz YEWSGXVGEPIBRQ-KQSJRHEJSA-N 2 2 210.321 0.894 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)[C@H]1CCOC1 ZINC000665234549 412173775 /nfs/dbraw/zinc/17/37/75/412173775.db2.gz FQCIBMDBUGBDAS-WUHRBBMRSA-N 2 2 242.363 0.626 20 0 BCADLP C[C@@H](CC(=O)N1CC2CC1(C[NH3+])C2)n1cc[nH+]c1 ZINC000662684308 412270433 /nfs/dbraw/zinc/27/04/33/412270433.db2.gz UIHAFQVQKBMFDB-ZBOXLXRLSA-N 2 2 248.330 0.784 20 0 BCADLP [NH3+][C@H]1C[C@H](C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000662738035 412289064 /nfs/dbraw/zinc/28/90/64/412289064.db2.gz SZARCUNJTPOQAJ-XYPYZODXSA-N 2 2 248.330 0.853 20 0 BCADLP [NH3+][C@H]1C[C@H](C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000662738035 412289065 /nfs/dbraw/zinc/28/90/65/412289065.db2.gz SZARCUNJTPOQAJ-XYPYZODXSA-N 2 2 248.330 0.853 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662717859 412282044 /nfs/dbraw/zinc/28/20/44/412282044.db2.gz SJPZMSAFAACHNO-UHFFFAOYSA-N 2 2 248.330 0.711 20 0 BCADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279843 412223159 /nfs/dbraw/zinc/22/31/59/412223159.db2.gz NMEJCWXQNBAGQB-IGJPJIBNSA-N 3 2 223.364 0.716 20 0 BCADLP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000665283492 412229540 /nfs/dbraw/zinc/22/95/40/412229540.db2.gz OTHVHKQPKDQQPG-RWMBFGLXSA-N 3 2 243.395 0.716 20 0 BCADLP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000665283413 412229700 /nfs/dbraw/zinc/22/97/00/412229700.db2.gz NHGNUIFFWDIRIG-IJLUTSLNSA-N 3 2 213.369 0.947 20 0 BCADLP CCC[C@](C)([NH3+])C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662586373 412230868 /nfs/dbraw/zinc/23/08/68/412230868.db2.gz TUMQYWBBYHYSKO-NSHDSACASA-N 2 2 224.308 0.886 20 0 BCADLP CCC[C@](C)([NH3+])C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662586373 412230870 /nfs/dbraw/zinc/23/08/70/412230870.db2.gz TUMQYWBBYHYSKO-NSHDSACASA-N 2 2 224.308 0.886 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000662584680 412231106 /nfs/dbraw/zinc/23/11/06/412231106.db2.gz DXOBEGFSKOAVOJ-YPMHNXCESA-N 2 2 248.330 0.758 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000662584680 412231110 /nfs/dbraw/zinc/23/11/10/412231110.db2.gz DXOBEGFSKOAVOJ-YPMHNXCESA-N 2 2 248.330 0.758 20 0 BCADLP CC(C)[C@H]([NH3+])C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662586641 412231312 /nfs/dbraw/zinc/23/13/12/412231312.db2.gz XQIIOZUXIVMJDD-VIFPVBQESA-N 2 2 210.281 0.351 20 0 BCADLP CC(C)[C@H]([NH3+])C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662586641 412231316 /nfs/dbraw/zinc/23/13/16/412231316.db2.gz XQIIOZUXIVMJDD-VIFPVBQESA-N 2 2 210.281 0.351 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000665297348 412238041 /nfs/dbraw/zinc/23/80/41/412238041.db2.gz DNDXWWUBUUXOLN-KOLCDFICSA-N 2 2 222.336 0.995 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cn(C)nc1C ZINC000665295376 412241127 /nfs/dbraw/zinc/24/11/27/412241127.db2.gz COVAONCVSRBPAO-BDAKNGLRSA-N 2 2 210.325 0.987 20 0 BCADLP FCCOCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000665298955 412247930 /nfs/dbraw/zinc/24/79/30/412247930.db2.gz DAGYQEXMDBJPTQ-RYUDHWBXSA-N 2 2 246.326 0.329 20 0 BCADLP C[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)S(C)(=O)=O ZINC000665299264 412247957 /nfs/dbraw/zinc/24/79/57/412247957.db2.gz JMHDVLNVHJYOHK-OUAUKWLOSA-N 2 2 248.392 0.540 20 0 BCADLP Cc1c[nH+]c2cc(C(=O)N(C)CC[NH3+])ccn12 ZINC000662816081 412308489 /nfs/dbraw/zinc/30/84/89/412308489.db2.gz WOZCITZXCFFJBN-UHFFFAOYSA-N 2 2 232.287 0.673 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000662838510 412316999 /nfs/dbraw/zinc/31/69/99/412316999.db2.gz HPFSLIXWKQBSTF-QNSHHTMESA-N 2 2 220.276 0.119 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000662838510 412317000 /nfs/dbraw/zinc/31/70/00/412317000.db2.gz HPFSLIXWKQBSTF-QNSHHTMESA-N 2 2 220.276 0.119 20 0 BCADLP Cc1cc(NC(=O)CC[N@@H+](C)[C@@H](C)C[NH3+])no1 ZINC000382981250 412340666 /nfs/dbraw/zinc/34/06/66/412340666.db2.gz UNIRYGPMNAFJJI-QMMMGPOBSA-N 2 2 240.307 0.591 20 0 BCADLP Cc1cc(NC(=O)CC[N@H+](C)[C@@H](C)C[NH3+])no1 ZINC000382981250 412340671 /nfs/dbraw/zinc/34/06/71/412340671.db2.gz UNIRYGPMNAFJJI-QMMMGPOBSA-N 2 2 240.307 0.591 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H](C)[NH2+]C ZINC000662902589 412341087 /nfs/dbraw/zinc/34/10/87/412341087.db2.gz QFELCRWRMCFECA-IUCAKERBSA-N 2 2 224.308 0.688 20 0 BCADLP C[NH2+][C@@H](C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662935090 412349207 /nfs/dbraw/zinc/34/92/07/412349207.db2.gz RXULCWBMQPMEEW-SFYZADRCSA-N 2 2 210.281 0.205 20 0 BCADLP CC(C)[NH2+]CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662933989 412349238 /nfs/dbraw/zinc/34/92/38/412349238.db2.gz LHXJWHKKMWQINP-SECBINFHSA-N 2 2 224.308 0.595 20 0 BCADLP C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1[nH+]ccn1C ZINC000662933860 412349637 /nfs/dbraw/zinc/34/96/37/412349637.db2.gz KIMRTTMFMBQNPC-HLTSFMKQSA-N 2 2 222.292 0.335 20 0 BCADLP [NH3+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1F ZINC000662944014 412351182 /nfs/dbraw/zinc/35/11/82/412351182.db2.gz HCGLPMJJWZMWQV-NXEZZACHSA-N 2 2 240.282 0.171 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC2CC1(C)C2 ZINC000663016711 412370626 /nfs/dbraw/zinc/37/06/26/412370626.db2.gz HXBSAIFYPHAUSH-SQLBVSGCSA-N 2 2 225.336 0.276 20 0 BCADLP COc1c(N)[nH+]cnc1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000663239933 412399056 /nfs/dbraw/zinc/39/90/56/412399056.db2.gz QWEWEPXIDPYMMJ-DTWKUNHWSA-N 2 2 249.318 0.256 20 0 BCADLP CCn1nccc1C[NH2+]CCn1cc[nH+]c1 ZINC000159888241 172271196 /nfs/dbraw/zinc/27/11/96/172271196.db2.gz RRAULPUGODMOBZ-UHFFFAOYSA-N 2 2 219.292 0.889 20 0 BCADLP C[NH+](C)C/C=C/C(=O)NC1=[NH+]CCS1 ZINC000265589822 172399441 /nfs/dbraw/zinc/39/94/41/172399441.db2.gz AKJAPGHMLQWUDB-ONEGZZNKSA-N 2 2 213.306 0.323 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]CC2(C)COC2)n1C ZINC000094721887 487625052 /nfs/dbraw/zinc/62/50/52/487625052.db2.gz PLRABZTZSBIRIO-UHFFFAOYSA-N 2 2 238.335 0.612 20 0 BCADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1COC[C@@H]1O ZINC000340277062 173006097 /nfs/dbraw/zinc/00/60/97/173006097.db2.gz KIDZOAKRHAGKGD-UPJWGTAASA-N 2 2 242.363 0.552 20 0 BCADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1COC[C@@H]1O ZINC000340277062 173006100 /nfs/dbraw/zinc/00/61/00/173006100.db2.gz KIDZOAKRHAGKGD-UPJWGTAASA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@@H]1COC[C@@H]1O ZINC000340277062 173006102 /nfs/dbraw/zinc/00/61/02/173006102.db2.gz KIDZOAKRHAGKGD-UPJWGTAASA-N 2 2 242.363 0.552 20 0 BCADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@@H]1COC[C@@H]1O ZINC000340277062 173006105 /nfs/dbraw/zinc/00/61/05/173006105.db2.gz KIDZOAKRHAGKGD-UPJWGTAASA-N 2 2 242.363 0.552 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1C(N)=O ZINC000125128594 173027860 /nfs/dbraw/zinc/02/78/60/173027860.db2.gz FTMSRZDDNBGMPE-GHMZBOCLSA-N 2 2 225.336 0.420 20 0 BCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1C(N)=O ZINC000125128594 173027861 /nfs/dbraw/zinc/02/78/61/173027861.db2.gz FTMSRZDDNBGMPE-GHMZBOCLSA-N 2 2 225.336 0.420 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000125128594 173027863 /nfs/dbraw/zinc/02/78/63/173027863.db2.gz FTMSRZDDNBGMPE-GHMZBOCLSA-N 2 2 225.336 0.420 20 0 BCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1C(N)=O ZINC000125128594 173027865 /nfs/dbraw/zinc/02/78/65/173027865.db2.gz FTMSRZDDNBGMPE-GHMZBOCLSA-N 2 2 225.336 0.420 20 0 BCADLP C[NH+](CC(=O)N1CCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000355759771 173038512 /nfs/dbraw/zinc/03/85/12/173038512.db2.gz XFZCCXYKULJRFJ-LBPRGKRZSA-N 2 2 239.363 0.492 20 0 BCADLP C[N@@H+](CC(=O)N1CCC1)C[C@H]1CCC[NH+](C)C1 ZINC000355759771 173038508 /nfs/dbraw/zinc/03/85/08/173038508.db2.gz XFZCCXYKULJRFJ-LBPRGKRZSA-N 2 2 239.363 0.492 20 0 BCADLP C[N@H+](CC(=O)N1CCC1)C[C@H]1CCC[NH+](C)C1 ZINC000355759771 173038511 /nfs/dbraw/zinc/03/85/11/173038511.db2.gz XFZCCXYKULJRFJ-LBPRGKRZSA-N 2 2 239.363 0.492 20 0 BCADLP C[NH+](CC(=O)N1CCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000355759771 173038514 /nfs/dbraw/zinc/03/85/14/173038514.db2.gz XFZCCXYKULJRFJ-LBPRGKRZSA-N 2 2 239.363 0.492 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000330947202 173049885 /nfs/dbraw/zinc/04/98/85/173049885.db2.gz HIWMDMZBBAXZFX-VIFPVBQESA-N 2 2 222.292 0.163 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000330947202 173049888 /nfs/dbraw/zinc/04/98/88/173049888.db2.gz HIWMDMZBBAXZFX-VIFPVBQESA-N 2 2 222.292 0.163 20 0 BCADLP C[NH+]1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000068226959 173073347 /nfs/dbraw/zinc/07/33/47/173073347.db2.gz UDARDUPKBJNZGI-UHFFFAOYSA-N 2 2 244.298 0.722 20 0 BCADLP C[NH+]1CCN(C(=O)c2c[nH+]ccc2N)CC1 ZINC000082304190 173073863 /nfs/dbraw/zinc/07/38/63/173073863.db2.gz WUWWBLJHTNVWCA-UHFFFAOYSA-N 2 2 220.276 0.051 20 0 BCADLP CN1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C(C)(C)C1=O ZINC000094865896 173084709 /nfs/dbraw/zinc/08/47/09/173084709.db2.gz PTKAMGWBPAMBKY-LLVKDONJSA-N 2 2 239.363 0.539 20 0 BCADLP CN1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C(C)(C)C1=O ZINC000094865896 173084712 /nfs/dbraw/zinc/08/47/12/173084712.db2.gz PTKAMGWBPAMBKY-LLVKDONJSA-N 2 2 239.363 0.539 20 0 BCADLP CN(C)c1[nH+]cc(CN2CC[NH+](C)CC2)n1C ZINC000362313373 173091168 /nfs/dbraw/zinc/09/11/68/173091168.db2.gz SWSHUWXZZSQRDK-UHFFFAOYSA-N 2 2 237.351 0.234 20 0 BCADLP CN1CC[C@@H]([NH+]2CCC([NH+](C)C)CC2)C1=O ZINC000116351149 173119001 /nfs/dbraw/zinc/11/90/01/173119001.db2.gz MWSFQICBUAXHJI-LLVKDONJSA-N 2 2 225.336 0.243 20 0 BCADLP Cn1cnnc1C[NH2+][C@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367623249 173154633 /nfs/dbraw/zinc/15/46/33/173154633.db2.gz VJAFCCHPECNZSR-SDDRHHMPSA-N 2 2 249.362 0.778 20 0 BCADLP Cn1cnnc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367623249 173154635 /nfs/dbraw/zinc/15/46/35/173154635.db2.gz VJAFCCHPECNZSR-SDDRHHMPSA-N 2 2 249.362 0.778 20 0 BCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cccnc2)C1 ZINC000309599049 173164194 /nfs/dbraw/zinc/16/41/94/173164194.db2.gz XCAJJCAPMZYBIS-LBPRGKRZSA-N 2 2 221.304 0.238 20 0 BCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cccnc2)C1 ZINC000309599049 173164196 /nfs/dbraw/zinc/16/41/96/173164196.db2.gz XCAJJCAPMZYBIS-LBPRGKRZSA-N 2 2 221.304 0.238 20 0 BCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccccn2)C1 ZINC000336770519 173166065 /nfs/dbraw/zinc/16/60/65/173166065.db2.gz TUZVNSREUQQZSE-LBPRGKRZSA-N 2 2 221.304 0.238 20 0 BCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccccn2)C1 ZINC000336770519 173166067 /nfs/dbraw/zinc/16/60/67/173166067.db2.gz TUZVNSREUQQZSE-LBPRGKRZSA-N 2 2 221.304 0.238 20 0 BCADLP Cn1cc[nH+]c1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193604095 173197592 /nfs/dbraw/zinc/19/75/92/173197592.db2.gz LBACMRGUFVTWRT-PHIMTYICSA-N 2 2 220.320 0.414 20 0 BCADLP Cn1cc[nH+]c1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193604095 173197594 /nfs/dbraw/zinc/19/75/94/173197594.db2.gz LBACMRGUFVTWRT-PHIMTYICSA-N 2 2 220.320 0.414 20 0 BCADLP CNC(=[NH2+])NCc1c[nH+]c2n1CCCC2 ZINC000370294518 173211578 /nfs/dbraw/zinc/21/15/78/173211578.db2.gz PWNSDCGBVIMOIN-UHFFFAOYSA-N 2 2 207.281 0.463 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+]CC[NH+]1CCCCC1 ZINC000309973094 173280782 /nfs/dbraw/zinc/28/07/82/173280782.db2.gz QRJAZRRRCZOOKD-LLVKDONJSA-N 2 2 227.352 0.587 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]CC[N@H+]1CC=CCC1 ZINC000336762520 173281922 /nfs/dbraw/zinc/28/19/22/173281922.db2.gz LKTSNOJDBCPLOF-NSHDSACASA-N 2 2 225.336 0.363 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]CC[N@@H+]1CC=CCC1 ZINC000336762520 173281923 /nfs/dbraw/zinc/28/19/23/173281923.db2.gz LKTSNOJDBCPLOF-NSHDSACASA-N 2 2 225.336 0.363 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000336756585 173282229 /nfs/dbraw/zinc/28/22/29/173282229.db2.gz IRWNXXHSSSABTQ-UWVGGRQHSA-N 2 2 213.325 0.195 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000336756585 173282230 /nfs/dbraw/zinc/28/22/30/173282230.db2.gz IRWNXXHSSSABTQ-UWVGGRQHSA-N 2 2 213.325 0.195 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000308941280 173282998 /nfs/dbraw/zinc/28/29/98/173282998.db2.gz MGEBCRZZVJUYPP-GUBZILKMSA-N 2 2 213.325 0.051 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000308941280 173282999 /nfs/dbraw/zinc/28/29/99/173282999.db2.gz MGEBCRZZVJUYPP-GUBZILKMSA-N 2 2 213.325 0.051 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000336762844 173283027 /nfs/dbraw/zinc/28/30/27/173283027.db2.gz LUUWEZFUMLDAQX-AXFHLTTASA-N 2 2 227.352 0.583 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000336762844 173283028 /nfs/dbraw/zinc/28/30/28/173283028.db2.gz LUUWEZFUMLDAQX-AXFHLTTASA-N 2 2 227.352 0.583 20 0 BCADLP CNC(=O)[C@H](C)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000291743999 173302746 /nfs/dbraw/zinc/30/27/46/173302746.db2.gz PHFVEGFVPHCARX-JTQLQIEISA-N 2 2 246.314 0.867 20 0 BCADLP CNC(=O)[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000183167022 173306981 /nfs/dbraw/zinc/30/69/81/173306981.db2.gz JXQKMPZXBGEBAO-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP C[NH2+]CC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000019519175 173326852 /nfs/dbraw/zinc/32/68/52/173326852.db2.gz MILDOQXADOGNND-CYBMUJFWSA-N 2 2 247.342 0.721 20 0 BCADLP C[NH2+]CC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000019519175 173326853 /nfs/dbraw/zinc/32/68/53/173326853.db2.gz MILDOQXADOGNND-CYBMUJFWSA-N 2 2 247.342 0.721 20 0 BCADLP C[NH2+]CC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000040828698 173329169 /nfs/dbraw/zinc/32/91/69/173329169.db2.gz RKHVTEQXMMBOIU-UHFFFAOYSA-N 2 2 246.314 0.680 20 0 BCADLP C[NH2+]CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000262662006 173330384 /nfs/dbraw/zinc/33/03/84/173330384.db2.gz GUCHLYNAYMMWHB-UHFFFAOYSA-N 2 2 218.260 0.170 20 0 BCADLP C[NH2+]CCC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000262412815 173340705 /nfs/dbraw/zinc/34/07/05/173340705.db2.gz QRCBKKLPJSQVCB-UHFFFAOYSA-N 2 2 236.319 0.445 20 0 BCADLP C[NH2+]CCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000262402609 173341070 /nfs/dbraw/zinc/34/10/70/173341070.db2.gz PRULHZWMUOPZPA-UHFFFAOYSA-N 2 2 232.287 0.560 20 0 BCADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)NCCCOC ZINC000124967587 173345589 /nfs/dbraw/zinc/34/55/89/173345589.db2.gz AYPDBQGFCVOBSZ-LLVKDONJSA-N 2 2 245.367 0.069 20 0 BCADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)NCCCOC ZINC000124967587 173345590 /nfs/dbraw/zinc/34/55/90/173345590.db2.gz AYPDBQGFCVOBSZ-LLVKDONJSA-N 2 2 245.367 0.069 20 0 BCADLP C[NH2+]CC[N@H+](C)CCC(=O)Nc1cc(C)on1 ZINC000070304262 173353169 /nfs/dbraw/zinc/35/31/69/173353169.db2.gz DNRZXSWMTYPLMU-UHFFFAOYSA-N 2 2 240.307 0.463 20 0 BCADLP C[NH2+]CC[N@@H+](C)CCC(=O)Nc1cc(C)on1 ZINC000070304262 173353170 /nfs/dbraw/zinc/35/31/70/173353170.db2.gz DNRZXSWMTYPLMU-UHFFFAOYSA-N 2 2 240.307 0.463 20 0 BCADLP C[NH2+]C[C@@H](C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000237201841 173362571 /nfs/dbraw/zinc/36/25/71/173362571.db2.gz CGULBVZZOWQBPK-GHMZBOCLSA-N 2 2 238.335 0.491 20 0 BCADLP C[NH2+]C[C@@H](C)CNc1[nH+]cnc2c1cnn2C ZINC000129561197 173363849 /nfs/dbraw/zinc/36/38/49/173363849.db2.gz UIKHDNNSBWOIHS-MRVPVSSYSA-N 2 2 234.307 0.631 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC000070798716 173370537 /nfs/dbraw/zinc/37/05/37/173370537.db2.gz HDQOLECSRRUOES-JTQLQIEISA-N 2 2 208.309 0.461 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC000070798716 173370539 /nfs/dbraw/zinc/37/05/39/173370539.db2.gz HDQOLECSRRUOES-JTQLQIEISA-N 2 2 208.309 0.461 20 0 BCADLP C[NH2+]C[C@H](C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000237326112 173374376 /nfs/dbraw/zinc/37/43/76/173374376.db2.gz CGULBVZZOWQBPK-QWRGUYRKSA-N 2 2 238.335 0.491 20 0 BCADLP C[NH2+][C@@H](C)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000261710841 173416560 /nfs/dbraw/zinc/41/65/60/173416560.db2.gz JWYLWNVDHZRYRC-VIFPVBQESA-N 2 2 232.287 0.672 20 0 BCADLP COC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000043802200 174028069 /nfs/dbraw/zinc/02/80/69/174028069.db2.gz XERWKMGNHVJFMM-NSHDSACASA-N 2 2 214.309 0.086 20 0 BCADLP COCCC[N@H+](CCOC)C[C@H](C)[NH3+] ZINC000044412697 174223819 /nfs/dbraw/zinc/22/38/19/174223819.db2.gz YEOCVBGGDJTINC-JTQLQIEISA-N 2 2 204.314 0.319 20 0 BCADLP COCCC[N@@H+](CCOC)C[C@H](C)[NH3+] ZINC000044412697 174223822 /nfs/dbraw/zinc/22/38/22/174223822.db2.gz YEOCVBGGDJTINC-JTQLQIEISA-N 2 2 204.314 0.319 20 0 BCADLP COCCC[N@H+](CCOC)CCn1cc[nH+]c1 ZINC000130727004 174224401 /nfs/dbraw/zinc/22/44/01/174224401.db2.gz HBOUOYZCLDHIMS-UHFFFAOYSA-N 2 2 241.335 0.868 20 0 BCADLP COCCC[N@@H+](CCOC)CCn1cc[nH+]c1 ZINC000130727004 174224403 /nfs/dbraw/zinc/22/44/03/174224403.db2.gz HBOUOYZCLDHIMS-UHFFFAOYSA-N 2 2 241.335 0.868 20 0 BCADLP COCCCOC1CC[NH+](CC[NH3+])CC1 ZINC000336706762 174253049 /nfs/dbraw/zinc/25/30/49/174253049.db2.gz RNOWGEGEONYNGO-UHFFFAOYSA-N 2 2 216.325 0.463 20 0 BCADLP COCC[N@H+](C)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264860668 174277022 /nfs/dbraw/zinc/27/70/22/174277022.db2.gz PCSZZOKQBHPWMH-UHFFFAOYSA-N 2 2 240.307 0.026 20 0 BCADLP COCC[N@@H+](C)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264860668 174277024 /nfs/dbraw/zinc/27/70/24/174277024.db2.gz PCSZZOKQBHPWMH-UHFFFAOYSA-N 2 2 240.307 0.026 20 0 BCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]CC1(C)COC1 ZINC000352811552 174308701 /nfs/dbraw/zinc/30/87/01/174308701.db2.gz DXVKEHCNAUNEHJ-LBPRGKRZSA-N 2 2 242.363 0.723 20 0 BCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]CC1(C)COC1 ZINC000352811552 174308703 /nfs/dbraw/zinc/30/87/03/174308703.db2.gz DXVKEHCNAUNEHJ-LBPRGKRZSA-N 2 2 242.363 0.723 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCC[C@H](C)O)C1 ZINC000336673054 174312883 /nfs/dbraw/zinc/31/28/83/174312883.db2.gz AIHFSOGHKWYXPQ-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCC[C@H](C)O)C1 ZINC000336673054 174312886 /nfs/dbraw/zinc/31/28/86/174312886.db2.gz AIHFSOGHKWYXPQ-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](C)OC)C1 ZINC000336777704 174314604 /nfs/dbraw/zinc/31/46/04/174314604.db2.gz JHHKGZAZMXSNFG-NEPJUHHUSA-N 2 2 230.352 0.722 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)OC)C1 ZINC000336777704 174314606 /nfs/dbraw/zinc/31/46/06/174314606.db2.gz JHHKGZAZMXSNFG-NEPJUHHUSA-N 2 2 230.352 0.722 20 0 BCADLP COCCOCCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336775149 174350610 /nfs/dbraw/zinc/35/06/10/174350610.db2.gz YEYDUANCMMXFQG-RYUDHWBXSA-N 2 2 230.352 0.579 20 0 BCADLP COCCOCCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336775149 174350611 /nfs/dbraw/zinc/35/06/11/174350611.db2.gz YEYDUANCMMXFQG-RYUDHWBXSA-N 2 2 230.352 0.579 20 0 BCADLP COCCOC[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000309674655 174363086 /nfs/dbraw/zinc/36/30/86/174363086.db2.gz XJPZRBNEUAZXKB-GRYCIOLGSA-N 2 2 230.352 0.578 20 0 BCADLP COCCOC[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000309674655 174363088 /nfs/dbraw/zinc/36/30/88/174363088.db2.gz XJPZRBNEUAZXKB-GRYCIOLGSA-N 2 2 230.352 0.578 20 0 BCADLP COCCOC[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000309674658 174363627 /nfs/dbraw/zinc/36/36/27/174363627.db2.gz XJPZRBNEUAZXKB-SDDRHHMPSA-N 2 2 230.352 0.578 20 0 BCADLP COCCOC[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000309674658 174363629 /nfs/dbraw/zinc/36/36/29/174363629.db2.gz XJPZRBNEUAZXKB-SDDRHHMPSA-N 2 2 230.352 0.578 20 0 BCADLP COCC[C@@H]1COCC[N@@H+]1CCn1cc[nH+]c1 ZINC000291254756 174399124 /nfs/dbraw/zinc/39/91/24/174399124.db2.gz OEIGWMRNPNNWQH-GFCCVEGCSA-N 2 2 239.319 0.620 20 0 BCADLP COCC[C@@H]1COCC[N@H+]1CCn1cc[nH+]c1 ZINC000291254756 174399128 /nfs/dbraw/zinc/39/91/28/174399128.db2.gz OEIGWMRNPNNWQH-GFCCVEGCSA-N 2 2 239.319 0.620 20 0 BCADLP Cc1[nH+]cc(C[N@@H+](C)[C@H](C)CCO)n1C ZINC000668291812 487628475 /nfs/dbraw/zinc/62/84/75/487628475.db2.gz VRSANEBUNXMXRI-SECBINFHSA-N 2 2 211.309 0.931 20 0 BCADLP Cc1[nH+]cc(C[N@H+](C)[C@H](C)CCO)n1C ZINC000668291812 487628479 /nfs/dbraw/zinc/62/84/79/487628479.db2.gz VRSANEBUNXMXRI-SECBINFHSA-N 2 2 211.309 0.931 20 0 BCADLP COc1ccccc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000042441740 175324772 /nfs/dbraw/zinc/32/47/72/175324772.db2.gz NGWMUSKEWDFNOE-NSHDSACASA-N 2 2 224.304 0.447 20 0 BCADLP COc1ccccc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000042441740 175324774 /nfs/dbraw/zinc/32/47/74/175324774.db2.gz NGWMUSKEWDFNOE-NSHDSACASA-N 2 2 224.304 0.447 20 0 BCADLP COc1cc[nH+]cc1CNC(=O)/C=C/C[NH+](C)C ZINC000294728478 175370597 /nfs/dbraw/zinc/37/05/97/175370597.db2.gz XFSSQUYTDYESJW-SNAWJCMRSA-N 2 2 249.314 0.824 20 0 BCADLP COc1cc[nH+]cc1NC(=O)[C@H](C[NH3+])OC ZINC000353423827 175374650 /nfs/dbraw/zinc/37/46/50/175374650.db2.gz DQPDPSVNETYSRE-VIFPVBQESA-N 2 2 225.248 0.002 20 0 BCADLP COc1coc(C[NH2+]CC2([NH3+])CCC2)cc1=O ZINC000342180598 175387649 /nfs/dbraw/zinc/38/76/49/175387649.db2.gz ZWWIADXXEZBBIP-UHFFFAOYSA-N 2 2 238.287 0.619 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000336731313 176097715 /nfs/dbraw/zinc/09/77/15/176097715.db2.gz FEGCNKRAUHPMPP-GHMZBOCLSA-N 2 2 227.352 0.572 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000336731313 176097716 /nfs/dbraw/zinc/09/77/16/176097716.db2.gz FEGCNKRAUHPMPP-GHMZBOCLSA-N 2 2 227.352 0.572 20 0 BCADLP C[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000245684946 176179887 /nfs/dbraw/zinc/17/98/87/176179887.db2.gz UXTZODPMLDHHBO-WOPDTQHZSA-N 2 2 248.330 0.655 20 0 BCADLP C[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000245684946 176179888 /nfs/dbraw/zinc/17/98/88/176179888.db2.gz UXTZODPMLDHHBO-WOPDTQHZSA-N 2 2 248.330 0.655 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000376909303 176185885 /nfs/dbraw/zinc/18/58/85/176185885.db2.gz UXVVBCNURFAAOV-IWSPIJDZSA-N 2 2 247.289 0.098 20 0 BCADLP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC[NH2+]C(C)(C)C ZINC000042438690 176196651 /nfs/dbraw/zinc/19/66/51/176196651.db2.gz MEJQVZRAMMROSD-GHMZBOCLSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC[NH2+]C(C)(C)C ZINC000042438690 176196653 /nfs/dbraw/zinc/19/66/53/176196653.db2.gz MEJQVZRAMMROSD-GHMZBOCLSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1[NH+](C)C ZINC000284193318 176241235 /nfs/dbraw/zinc/24/12/35/176241235.db2.gz YZOXLJSAAIEOIY-PRANIUCASA-N 2 2 248.330 0.831 20 0 BCADLP C[C@@H]1C[N@H+](C)CCN1Cc1[nH+]ccn1C ZINC000071863854 176266578 /nfs/dbraw/zinc/26/65/78/176266578.db2.gz JVPYCVNCAYVOTN-SNVBAGLBSA-N 2 2 208.309 0.556 20 0 BCADLP C[C@@H]1C[N@@H+](C)CCN1Cc1[nH+]ccn1C ZINC000071863854 176266580 /nfs/dbraw/zinc/26/65/80/176266580.db2.gz JVPYCVNCAYVOTN-SNVBAGLBSA-N 2 2 208.309 0.556 20 0 BCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]([NH3+])c1ccccc1 ZINC000226402189 176267688 /nfs/dbraw/zinc/26/76/88/176267688.db2.gz MBVOUCDMELLELD-DGCLKSJQSA-N 2 2 247.342 0.849 20 0 BCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]([NH3+])c1ccccc1 ZINC000226402189 176267690 /nfs/dbraw/zinc/26/76/90/176267690.db2.gz MBVOUCDMELLELD-DGCLKSJQSA-N 2 2 247.342 0.849 20 0 BCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccnn1C ZINC000128845588 176269288 /nfs/dbraw/zinc/26/92/88/176269288.db2.gz MEHGHSIOTSYCJR-PWSUYJOCSA-N 2 2 222.336 0.850 20 0 BCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccnn1C ZINC000128845588 176269289 /nfs/dbraw/zinc/26/92/89/176269289.db2.gz MEHGHSIOTSYCJR-PWSUYJOCSA-N 2 2 222.336 0.850 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000309098330 176272005 /nfs/dbraw/zinc/27/20/05/176272005.db2.gz DQDMKRSOKWHZDI-UTUOFQBUSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000309098330 176272007 /nfs/dbraw/zinc/27/20/07/176272007.db2.gz DQDMKRSOKWHZDI-UTUOFQBUSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1=CC[NH+](C)CC1 ZINC000335605722 176272514 /nfs/dbraw/zinc/27/25/14/176272514.db2.gz FPTCYSPKGIFOKC-YPMHNXCESA-N 3 2 223.364 0.788 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1=CC[NH+](C)CC1 ZINC000335605722 176272517 /nfs/dbraw/zinc/27/25/17/176272517.db2.gz FPTCYSPKGIFOKC-YPMHNXCESA-N 3 2 223.364 0.788 20 0 BCADLP C[C@@H]1C[NH+](C)C[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000335605722 176272518 /nfs/dbraw/zinc/27/25/18/176272518.db2.gz FPTCYSPKGIFOKC-YPMHNXCESA-N 3 2 223.364 0.788 20 0 BCADLP C[C@@H]1C[NH+](C)C[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335605722 176272520 /nfs/dbraw/zinc/27/25/20/176272520.db2.gz FPTCYSPKGIFOKC-YPMHNXCESA-N 3 2 223.364 0.788 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000309163090 176273185 /nfs/dbraw/zinc/27/31/85/176273185.db2.gz ZWDCYUJJTVXCQD-MNOVXSKESA-N 2 2 212.337 0.689 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000309163090 176273186 /nfs/dbraw/zinc/27/31/86/176273186.db2.gz ZWDCYUJJTVXCQD-MNOVXSKESA-N 2 2 212.337 0.689 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000336748765 176273226 /nfs/dbraw/zinc/27/32/26/176273226.db2.gz DRSYNHXZNVGMIM-WOPDTQHZSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000336748765 176273228 /nfs/dbraw/zinc/27/32/28/176273228.db2.gz DRSYNHXZNVGMIM-WOPDTQHZSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@]1(O)CCSC1 ZINC000336758965 176273495 /nfs/dbraw/zinc/27/34/95/176273495.db2.gz LBJKLRNWLXNGAY-VWYCJHECSA-N 2 2 230.377 0.394 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@]1(O)CCSC1 ZINC000336758965 176273497 /nfs/dbraw/zinc/27/34/97/176273497.db2.gz LBJKLRNWLXNGAY-VWYCJHECSA-N 2 2 230.377 0.394 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000358283846 176273888 /nfs/dbraw/zinc/27/38/88/176273888.db2.gz DMDSVZBKMLCJTG-XWIASGKRSA-N 2 2 234.347 0.807 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000358283846 176273890 /nfs/dbraw/zinc/27/38/90/176273890.db2.gz DMDSVZBKMLCJTG-XWIASGKRSA-N 2 2 234.347 0.807 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1CC[NH+](C2CC2)C1 ZINC000336781707 176275069 /nfs/dbraw/zinc/27/50/69/176275069.db2.gz VIQPUWHWOCJWMU-WZRBSPASSA-N 2 2 223.364 0.763 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CC[NH+](C2CC2)C1 ZINC000336781707 176275071 /nfs/dbraw/zinc/27/50/71/176275071.db2.gz VIQPUWHWOCJWMU-WZRBSPASSA-N 2 2 223.364 0.763 20 0 BCADLP C[C@@H]1C[NH+](C)C[C@@H]1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336781707 176275073 /nfs/dbraw/zinc/27/50/73/176275073.db2.gz VIQPUWHWOCJWMU-WZRBSPASSA-N 2 2 223.364 0.763 20 0 BCADLP C[C@@H]1C[NH+](C)C[C@@H]1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000336781707 176275074 /nfs/dbraw/zinc/27/50/74/176275074.db2.gz VIQPUWHWOCJWMU-WZRBSPASSA-N 2 2 223.364 0.763 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000358078405 176275222 /nfs/dbraw/zinc/27/52/22/176275222.db2.gz BVJMOXXGGHVDBP-MFKMUULPSA-N 2 2 247.342 0.825 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000358078405 176275223 /nfs/dbraw/zinc/27/52/23/176275223.db2.gz BVJMOXXGGHVDBP-MFKMUULPSA-N 2 2 247.342 0.825 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCC1(O)CCC1 ZINC000336747872 176276940 /nfs/dbraw/zinc/27/69/40/176276940.db2.gz CVDGBTATGZQEFU-GHMZBOCLSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC1(O)CCC1 ZINC000336747872 176276942 /nfs/dbraw/zinc/27/69/42/176276942.db2.gz CVDGBTATGZQEFU-GHMZBOCLSA-N 2 2 212.337 0.831 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCn1cnnc1C1CC1 ZINC000358032023 176276953 /nfs/dbraw/zinc/27/69/53/176276953.db2.gz BGTXPJWATHITSQ-ZYHUDNBSSA-N 2 2 249.362 0.695 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCn1cnnc1C1CC1 ZINC000358032023 176276954 /nfs/dbraw/zinc/27/69/54/176276954.db2.gz BGTXPJWATHITSQ-ZYHUDNBSSA-N 2 2 249.362 0.695 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)C(N)=O ZINC000309090516 176277003 /nfs/dbraw/zinc/27/70/03/176277003.db2.gz BAHKZXJMUYOPEG-RKDXNWHRSA-N 2 2 213.325 0.038 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)C(N)=O ZINC000309090516 176277004 /nfs/dbraw/zinc/27/70/04/176277004.db2.gz BAHKZXJMUYOPEG-RKDXNWHRSA-N 2 2 213.325 0.038 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)CCO ZINC000309126216 176277596 /nfs/dbraw/zinc/27/75/96/176277596.db2.gz PRLUPHXOQIYNTL-GHMZBOCLSA-N 2 2 214.353 0.935 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)CCO ZINC000309126216 176277598 /nfs/dbraw/zinc/27/75/98/176277598.db2.gz PRLUPHXOQIYNTL-GHMZBOCLSA-N 2 2 214.353 0.935 20 0 BCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)CC[C@H]1[NH3+] ZINC000251626335 176283712 /nfs/dbraw/zinc/28/37/12/176283712.db2.gz FEPUTFXNVSBLID-MWLCHTKSSA-N 2 2 225.336 0.182 20 0 BCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)CC[C@H]1[NH3+] ZINC000251626335 176283713 /nfs/dbraw/zinc/28/37/13/176283713.db2.gz FEPUTFXNVSBLID-MWLCHTKSSA-N 2 2 225.336 0.182 20 0 BCADLP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@H]1O ZINC000343581641 176289550 /nfs/dbraw/zinc/28/95/50/176289550.db2.gz MTBIATNMZYNGNA-GHMZBOCLSA-N 2 2 209.293 0.586 20 0 BCADLP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@H]1O ZINC000343581641 176289552 /nfs/dbraw/zinc/28/95/52/176289552.db2.gz MTBIATNMZYNGNA-GHMZBOCLSA-N 2 2 209.293 0.586 20 0 BCADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)CCCO1 ZINC000179243109 176296422 /nfs/dbraw/zinc/29/64/22/176296422.db2.gz UVVLDYIAZVFIHE-LLVKDONJSA-N 2 2 209.293 0.994 20 0 BCADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CCCO1 ZINC000179243109 176296424 /nfs/dbraw/zinc/29/64/24/176296424.db2.gz UVVLDYIAZVFIHE-LLVKDONJSA-N 2 2 209.293 0.994 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CCS1 ZINC000309365171 176296670 /nfs/dbraw/zinc/29/66/70/176296670.db2.gz DPCQEHAZQVLCCE-PWSUYJOCSA-N 2 2 244.404 0.879 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CCS1 ZINC000309365171 176296671 /nfs/dbraw/zinc/29/66/71/176296671.db2.gz DPCQEHAZQVLCCE-PWSUYJOCSA-N 2 2 244.404 0.879 20 0 BCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CCS1 ZINC000309365171 176296672 /nfs/dbraw/zinc/29/66/72/176296672.db2.gz DPCQEHAZQVLCCE-PWSUYJOCSA-N 2 2 244.404 0.879 20 0 BCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CCS1 ZINC000309365171 176296673 /nfs/dbraw/zinc/29/66/73/176296673.db2.gz DPCQEHAZQVLCCE-PWSUYJOCSA-N 2 2 244.404 0.879 20 0 BCADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000301034545 176345122 /nfs/dbraw/zinc/34/51/22/176345122.db2.gz STHHAOBEGMGBHL-GMTAPVOTSA-N 2 2 200.326 0.951 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC2([S@@](C)=O)CC2)CC[N@@H+]1C ZINC000336737489 176375494 /nfs/dbraw/zinc/37/54/94/176375494.db2.gz JLDLVBBJMOMMKZ-OHUAYANFSA-N 2 2 244.404 0.970 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CC2([S@@](C)=O)CC2)CC[N@H+]1C ZINC000336737489 176375496 /nfs/dbraw/zinc/37/54/96/176375496.db2.gz JLDLVBBJMOMMKZ-OHUAYANFSA-N 2 2 244.404 0.970 20 0 BCADLP C[C@H]1CCCN(C(=O)C[NH+]2CCC([NH3+])CC2)C1 ZINC000037409001 177092344 /nfs/dbraw/zinc/09/23/44/177092344.db2.gz UEQRHKHHVRPOGF-NSHDSACASA-N 2 2 239.363 0.668 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cnc2cnccn12 ZINC000333094972 177174758 /nfs/dbraw/zinc/17/47/58/177174758.db2.gz CZTICOHMSCESEG-JQWIXIFHSA-N 2 2 245.330 0.817 20 0 BCADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)[C@@H](C)C[NH2+]1 ZINC000086468220 177216806 /nfs/dbraw/zinc/21/68/06/177216806.db2.gz VYKMGGYILAQSHI-QWRGUYRKSA-N 2 2 236.319 0.482 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000362762505 177234731 /nfs/dbraw/zinc/23/47/31/177234731.db2.gz JWHZJHGJACHKBB-UWVGGRQHSA-N 2 2 236.319 0.566 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000362762505 177234732 /nfs/dbraw/zinc/23/47/32/177234732.db2.gz JWHZJHGJACHKBB-UWVGGRQHSA-N 2 2 236.319 0.566 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC1(O)CCOCC1 ZINC000353034778 177236686 /nfs/dbraw/zinc/23/66/86/177236686.db2.gz MTHDMWFIXASTND-RYUDHWBXSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC1(O)CCOCC1 ZINC000353034778 177236687 /nfs/dbraw/zinc/23/66/87/177236687.db2.gz MTHDMWFIXASTND-RYUDHWBXSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCC1(O)CCOCC1 ZINC000353034777 177237006 /nfs/dbraw/zinc/23/70/06/177237006.db2.gz MTHDMWFIXASTND-NWDGAFQWSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC1(O)CCOCC1 ZINC000353034777 177237007 /nfs/dbraw/zinc/23/70/07/177237007.db2.gz MTHDMWFIXASTND-NWDGAFQWSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(CO)CCOCC1 ZINC000358346208 177237095 /nfs/dbraw/zinc/23/70/95/177237095.db2.gz BCWGVDKIRWFHCC-NWDGAFQWSA-N 2 2 242.363 0.315 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(CO)CCOCC1 ZINC000358346208 177237096 /nfs/dbraw/zinc/23/70/96/177237096.db2.gz BCWGVDKIRWFHCC-NWDGAFQWSA-N 2 2 242.363 0.315 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000362569025 177237415 /nfs/dbraw/zinc/23/74/15/177237415.db2.gz MNOJWLXFLNRJHB-WDEREUQCSA-N 2 2 236.319 0.197 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000362569025 177237416 /nfs/dbraw/zinc/23/74/16/177237416.db2.gz MNOJWLXFLNRJHB-WDEREUQCSA-N 2 2 236.319 0.197 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCOCC1CC1 ZINC000309094684 177237585 /nfs/dbraw/zinc/23/75/85/177237585.db2.gz CJLDGASGBAXFGE-CMPLNLGQSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCOCC1CC1 ZINC000309094684 177237586 /nfs/dbraw/zinc/23/75/86/177237586.db2.gz CJLDGASGBAXFGE-CMPLNLGQSA-N 2 2 212.337 0.953 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000309575284 177238671 /nfs/dbraw/zinc/23/86/71/177238671.db2.gz OSPUGUOCVNFMEU-QJPTWQEYSA-N 2 2 222.336 0.811 20 0 BCADLP C[C@H](CN1CCOCC1)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000359939046 177239839 /nfs/dbraw/zinc/23/98/39/177239839.db2.gz BDKNKIAZFWLOFB-YNEHKIRRSA-N 2 2 241.379 0.247 20 0 BCADLP C[C@H](CN1CCOCC1)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000359939046 177239840 /nfs/dbraw/zinc/23/98/40/177239840.db2.gz BDKNKIAZFWLOFB-YNEHKIRRSA-N 2 2 241.379 0.247 20 0 BCADLP C[C@H]1C[N@H+](CCN2CC[NH+](C)C[C@@H]2C)CCO1 ZINC000337247691 177250737 /nfs/dbraw/zinc/25/07/37/177250737.db2.gz KJXHAAPYTKICAX-STQMWFEESA-N 2 2 241.379 0.343 20 0 BCADLP C[C@H]1C[N@@H+](CCN2CC[NH+](C)C[C@@H]2C)CCO1 ZINC000337247691 177250739 /nfs/dbraw/zinc/25/07/39/177250739.db2.gz KJXHAAPYTKICAX-STQMWFEESA-N 2 2 241.379 0.343 20 0 BCADLP C[C@H]1C[NH+](CCN2CC[N@H+](C)C[C@@H]2C)CCO1 ZINC000337247691 177250740 /nfs/dbraw/zinc/25/07/40/177250740.db2.gz KJXHAAPYTKICAX-STQMWFEESA-N 2 2 241.379 0.343 20 0 BCADLP C[C@H]1C[NH+](CCN2CC[N@@H+](C)C[C@@H]2C)CCO1 ZINC000337247691 177250742 /nfs/dbraw/zinc/25/07/42/177250742.db2.gz KJXHAAPYTKICAX-STQMWFEESA-N 2 2 241.379 0.343 20 0 BCADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@H](C)O1 ZINC000154288352 177255734 /nfs/dbraw/zinc/25/57/34/177255734.db2.gz MIQMRMAEMXTFDI-PHIMTYICSA-N 2 2 209.293 0.992 20 0 BCADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@H](C)O1 ZINC000154288352 177255738 /nfs/dbraw/zinc/25/57/38/177255738.db2.gz MIQMRMAEMXTFDI-PHIMTYICSA-N 2 2 209.293 0.992 20 0 BCADLP C[C@H]1C[N@H+](CCc2c[nH+]cn2C)CCO1 ZINC000289431068 177256007 /nfs/dbraw/zinc/25/60/07/177256007.db2.gz VSLUIWRMCPAOEZ-JTQLQIEISA-N 2 2 209.293 0.683 20 0 BCADLP C[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CCO1 ZINC000289431068 177256008 /nfs/dbraw/zinc/25/60/08/177256008.db2.gz VSLUIWRMCPAOEZ-JTQLQIEISA-N 2 2 209.293 0.683 20 0 BCADLP C[C@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)CCCO1 ZINC000336723971 177259790 /nfs/dbraw/zinc/25/97/90/177259790.db2.gz UIVJPMATMKSMMI-WCQYABFASA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CCCO1 ZINC000336723971 177259791 /nfs/dbraw/zinc/25/97/91/177259791.db2.gz UIVJPMATMKSMMI-WCQYABFASA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)CCCO1 ZINC000336723971 177259794 /nfs/dbraw/zinc/25/97/94/177259794.db2.gz UIVJPMATMKSMMI-WCQYABFASA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CCCO1 ZINC000336723971 177259795 /nfs/dbraw/zinc/25/97/95/177259795.db2.gz UIVJPMATMKSMMI-WCQYABFASA-N 2 2 242.363 0.552 20 0 BCADLP C[C@H]1CSCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000336671363 177305112 /nfs/dbraw/zinc/30/51/12/177305112.db2.gz SFQUDCHYOLAZBG-CMPLNLGQSA-N 2 2 244.404 0.879 20 0 BCADLP C[C@H]1CSCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000336671363 177305114 /nfs/dbraw/zinc/30/51/14/177305114.db2.gz SFQUDCHYOLAZBG-CMPLNLGQSA-N 2 2 244.404 0.879 20 0 BCADLP C[C@H]1CSCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000336671363 177305115 /nfs/dbraw/zinc/30/51/15/177305115.db2.gz SFQUDCHYOLAZBG-CMPLNLGQSA-N 2 2 244.404 0.879 20 0 BCADLP C[C@H]1CSCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336671363 177305117 /nfs/dbraw/zinc/30/51/17/177305117.db2.gz SFQUDCHYOLAZBG-CMPLNLGQSA-N 2 2 244.404 0.879 20 0 BCADLP C[C@H]1C[C@@H](C[N@@H+]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000334587641 177324476 /nfs/dbraw/zinc/32/44/76/177324476.db2.gz YBOOIXLJDBRRSY-RYUDHWBXSA-N 3 2 211.353 0.670 20 0 BCADLP C[C@H]1C[C@@H](C[N@H+]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000334587641 177324477 /nfs/dbraw/zinc/32/44/77/177324477.db2.gz YBOOIXLJDBRRSY-RYUDHWBXSA-N 3 2 211.353 0.670 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CC(=O)NCC2CC2)CC[N@@H+]1C ZINC000128132605 177330373 /nfs/dbraw/zinc/33/03/73/177330373.db2.gz ZJVNVYYLFNXIKQ-JQWIXIFHSA-N 2 2 239.363 0.585 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CC(=O)NCC2CC2)CC[N@H+]1C ZINC000128132605 177330375 /nfs/dbraw/zinc/33/03/75/177330375.db2.gz ZJVNVYYLFNXIKQ-JQWIXIFHSA-N 2 2 239.363 0.585 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC000328282982 487644450 /nfs/dbraw/zinc/64/44/50/487644450.db2.gz SJVAICMXYAJLIW-MNOVXSKESA-N 2 2 216.325 0.068 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC000328282982 487644452 /nfs/dbraw/zinc/64/44/52/487644452.db2.gz SJVAICMXYAJLIW-MNOVXSKESA-N 2 2 216.325 0.068 20 0 BCADLP C[NH+](C)C1CN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492763532 226048128 /nfs/dbraw/zinc/04/81/28/226048128.db2.gz JKBRHTTZVOKUEC-ARJAWSKDSA-N 2 2 220.276 0.195 20 0 BCADLP C[C@@H]1C[NH+]=C(NC(=O)/C=C/C[NH+](C)C)S1 ZINC000493296929 226178956 /nfs/dbraw/zinc/17/89/56/226178956.db2.gz WRHYHGWUVBUREL-WTSVBCDHSA-N 2 2 227.333 0.712 20 0 BCADLP C[NH+](C)C(C)(C)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493315375 226182405 /nfs/dbraw/zinc/18/24/05/226182405.db2.gz FOTVNFIXCARQRJ-AATRIKPKSA-N 2 2 236.319 0.879 20 0 BCADLP C[C@H]1C[N@H+](C)CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493351739 226192682 /nfs/dbraw/zinc/19/26/82/226192682.db2.gz KQXAEKKYOLTQKG-FSIBCCDJSA-N 2 2 234.303 0.585 20 0 BCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493351739 226192684 /nfs/dbraw/zinc/19/26/84/226192684.db2.gz KQXAEKKYOLTQKG-FSIBCCDJSA-N 2 2 234.303 0.585 20 0 BCADLP Cn1c[nH+]cc1CCNC(=O)/C=C\C[NH+](C)C ZINC000493448643 226219092 /nfs/dbraw/zinc/21/90/92/226219092.db2.gz ITHFETINRKKVSL-PLNGDYQASA-N 2 2 236.319 0.197 20 0 BCADLP C[NH+](C)CC(C)(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493578020 226244231 /nfs/dbraw/zinc/24/42/31/226244231.db2.gz FJEUKKQPCNPLLE-AATRIKPKSA-N 2 2 236.319 0.879 20 0 BCADLP Cn1cncc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494425953 226265143 /nfs/dbraw/zinc/26/51/43/226265143.db2.gz NYKIKPMLJLQPIF-JTQLQIEISA-N 2 2 231.303 0.721 20 0 BCADLP Cc1n[nH]cc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400405067 226342845 /nfs/dbraw/zinc/34/28/45/226342845.db2.gz RBFJWDWSQCGXHF-KOLCDFICSA-N 2 2 208.309 0.948 20 0 BCADLP Cc1c(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cnn1C ZINC000400639227 226348365 /nfs/dbraw/zinc/34/83/65/226348365.db2.gz NPFIVROPWWPRLS-JOYOIKCWSA-N 2 2 222.336 0.959 20 0 BCADLP O=C(c1ccc2[nH+]ccn2c1)N1CCC[NH2+]CC1 ZINC000169931507 487657118 /nfs/dbraw/zinc/65/71/18/487657118.db2.gz QBGUZQCUEYGQRO-UHFFFAOYSA-N 2 2 244.298 0.770 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000314865452 487668910 /nfs/dbraw/zinc/66/89/10/487668910.db2.gz JTZMVILYSVVTMD-LLVKDONJSA-N 3 2 222.336 0.633 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000314865452 487668915 /nfs/dbraw/zinc/66/89/15/487668915.db2.gz JTZMVILYSVVTMD-LLVKDONJSA-N 3 2 222.336 0.633 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000314866720 487669222 /nfs/dbraw/zinc/66/92/22/487669222.db2.gz JZLVEDUDOYSYQF-GFCCVEGCSA-N 3 2 236.363 0.894 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000314866720 487669224 /nfs/dbraw/zinc/66/92/24/487669224.db2.gz JZLVEDUDOYSYQF-GFCCVEGCSA-N 3 2 236.363 0.894 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+](C)CCC[NH3+] ZINC000314995217 487670307 /nfs/dbraw/zinc/67/03/07/487670307.db2.gz ZKECPZQGPLKIFB-UHFFFAOYSA-N 3 2 210.325 0.633 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+](C)CCC[NH3+] ZINC000314995217 487670309 /nfs/dbraw/zinc/67/03/09/487670309.db2.gz ZKECPZQGPLKIFB-UHFFFAOYSA-N 3 2 210.325 0.633 20 0 BCADLP O=C1C[C@@H]([NH2+]CCn2cc[nH+]c2)CCCN1 ZINC000082667450 487714217 /nfs/dbraw/zinc/71/42/17/487714217.db2.gz UAYJSZBVJHEWBO-JTQLQIEISA-N 2 2 222.292 0.141 20 0 BCADLP C[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@@H]1CO ZINC000903909736 584821858 /nfs/dbraw/zinc/82/18/58/584821858.db2.gz YFHQNBVOZLWGDL-HRDYMLBCSA-N 2 2 222.279 0.672 20 0 BCADLP CNC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250418897 487731476 /nfs/dbraw/zinc/73/14/76/487731476.db2.gz YRNAWBRSUBVDBK-GHMZBOCLSA-N 2 2 225.336 0.196 20 0 BCADLP CNC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250418897 487731478 /nfs/dbraw/zinc/73/14/78/487731478.db2.gz YRNAWBRSUBVDBK-GHMZBOCLSA-N 2 2 225.336 0.196 20 0 BCADLP C[N@@H+](C[C@H]1C[NH2+]CCO1)C[C@@H]1CCCOC1 ZINC000250427825 487731598 /nfs/dbraw/zinc/73/15/98/487731598.db2.gz QKFYWLJQYRMAOW-NWDGAFQWSA-N 2 2 228.336 0.333 20 0 BCADLP C[N@H+](C[C@H]1C[NH2+]CCO1)C[C@@H]1CCCOC1 ZINC000250427825 487731602 /nfs/dbraw/zinc/73/16/02/487731602.db2.gz QKFYWLJQYRMAOW-NWDGAFQWSA-N 2 2 228.336 0.333 20 0 BCADLP CCO[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000250567700 487733355 /nfs/dbraw/zinc/73/33/55/487733355.db2.gz VJYRSVBADVJKNG-NWDGAFQWSA-N 2 2 228.336 0.476 20 0 BCADLP CCO[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000250567700 487733358 /nfs/dbraw/zinc/73/33/58/487733358.db2.gz VJYRSVBADVJKNG-NWDGAFQWSA-N 2 2 228.336 0.476 20 0 BCADLP C[NH+](C)[C@@H]1CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665697992 487732889 /nfs/dbraw/zinc/73/28/89/487732889.db2.gz KLIQDNQVYAZXPI-SECBINFHSA-N 2 2 249.318 0.421 20 0 BCADLP Cn1ncnc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000088572065 487733897 /nfs/dbraw/zinc/73/38/97/487733897.db2.gz JXYLQDPBKILLKR-SNVBAGLBSA-N 2 2 235.335 0.389 20 0 BCADLP Cn1ncnc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000088572065 487733900 /nfs/dbraw/zinc/73/39/00/487733900.db2.gz JXYLQDPBKILLKR-SNVBAGLBSA-N 2 2 235.335 0.389 20 0 BCADLP CCn1ncnc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000088590446 487736727 /nfs/dbraw/zinc/73/67/27/487736727.db2.gz JTUJYTMTMZXJQK-SNVBAGLBSA-N 2 2 234.307 0.673 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000082921840 487754038 /nfs/dbraw/zinc/75/40/38/487754038.db2.gz GQKAFRPFXBYWFB-BDAKNGLRSA-N 2 2 222.292 0.164 20 0 BCADLP COCC1([NH2+]Cc2c[nH+]c[nH]2)CCOCC1 ZINC000309823887 487759288 /nfs/dbraw/zinc/75/92/88/487759288.db2.gz GXAZTSICIMDISQ-UHFFFAOYSA-N 2 2 225.292 0.695 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000675784730 487778480 /nfs/dbraw/zinc/77/84/80/487778480.db2.gz KXQOLNOQWAZWBU-GRYCIOLGSA-N 2 2 249.362 0.881 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000675784730 487778484 /nfs/dbraw/zinc/77/84/84/487778484.db2.gz KXQOLNOQWAZWBU-GRYCIOLGSA-N 2 2 249.362 0.881 20 0 BCADLP C[NH+](C)C1(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000666351233 487791062 /nfs/dbraw/zinc/79/10/62/487791062.db2.gz APYXZUBPFPJEMY-UHFFFAOYSA-N 2 2 222.292 0.094 20 0 BCADLP CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CCC[NH3+] ZINC000414748852 487821317 /nfs/dbraw/zinc/82/13/17/487821317.db2.gz XKRCBHHZHQQXHQ-UHFFFAOYSA-N 2 2 239.363 0.668 20 0 BCADLP CC1(C)CN(C(=O)C2CC2)CC[N@H+]1CCC[NH3+] ZINC000414748852 487821322 /nfs/dbraw/zinc/82/13/22/487821322.db2.gz XKRCBHHZHQQXHQ-UHFFFAOYSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@@H]1C[C@@H](C)C[NH+](C[C@H]2C[NH2+]CCO2)C1 ZINC000252212856 487822765 /nfs/dbraw/zinc/82/27/65/487822765.db2.gz YNULJWRYWLOTNB-IJLUTSLNSA-N 2 2 212.337 0.953 20 0 BCADLP O=C1NCC[C@@H]1[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000676241211 487827458 /nfs/dbraw/zinc/82/74/58/487827458.db2.gz IKCOACNNZPFSPA-LBPRGKRZSA-N 2 2 246.314 0.092 20 0 BCADLP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000666770734 487876646 /nfs/dbraw/zinc/87/66/46/487876646.db2.gz UKGVRBAAEWPFDI-NEPJUHHUSA-N 3 2 211.353 0.860 20 0 BCADLP C([NH2+][C@H]1CCC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000666770737 487876909 /nfs/dbraw/zinc/87/69/09/487876909.db2.gz UKGVRBAAEWPFDI-NWDGAFQWSA-N 3 2 211.353 0.860 20 0 BCADLP C[NH2+]Cc1noc(C[C@@H]2CCC[NH2+]CC2)n1 ZINC000569456279 322966790 /nfs/dbraw/zinc/96/67/90/322966790.db2.gz YGTWEBWZXURXMW-SECBINFHSA-N 2 2 224.308 0.721 20 0 BCADLP CCNC(=O)C[N@H+](C)CCC[NH+]1CCCCC1 ZINC000682028047 487882425 /nfs/dbraw/zinc/88/24/25/487882425.db2.gz SRKZOHVYXHCEFM-UHFFFAOYSA-N 2 2 241.379 0.930 20 0 BCADLP CCNC(=O)C[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000682028047 487882431 /nfs/dbraw/zinc/88/24/31/487882431.db2.gz SRKZOHVYXHCEFM-UHFFFAOYSA-N 2 2 241.379 0.930 20 0 BCADLP CO[C@]1(C[NH2+]CC[NH+]2CCCC2)CCOC1 ZINC000234829770 487883926 /nfs/dbraw/zinc/88/39/26/487883926.db2.gz MXSOSPGXDZWNEL-LBPRGKRZSA-N 2 2 228.336 0.477 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000923279716 644310466 /nfs/dbraw/zinc/31/04/66/644310466.db2.gz ATKQUYBXOAFJSJ-WDEREUQCSA-N 2 2 216.325 0.195 20 0 BCADLP CC(C)OCC[C@@H](O)C[N@H+]1CC[C@H]([NH3+])C1 ZINC000923279716 644310472 /nfs/dbraw/zinc/31/04/72/644310472.db2.gz ATKQUYBXOAFJSJ-WDEREUQCSA-N 2 2 216.325 0.195 20 0 BCADLP C[N@H+](CCC[NH3+])Cc1cc2n(n1)CCC2 ZINC000652335963 487924411 /nfs/dbraw/zinc/92/44/11/487924411.db2.gz VPYYGOVKYKHOJW-UHFFFAOYSA-N 2 2 208.309 0.610 20 0 BCADLP C[N@@H+](CCC[NH3+])Cc1cc2n(n1)CCC2 ZINC000652335963 487924416 /nfs/dbraw/zinc/92/44/16/487924416.db2.gz VPYYGOVKYKHOJW-UHFFFAOYSA-N 2 2 208.309 0.610 20 0 BCADLP [NH3+]CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652364133 487933228 /nfs/dbraw/zinc/93/32/28/487933228.db2.gz ZBIBWFNUHDGDTP-UTUOFQBUSA-N 2 2 227.352 0.306 20 0 BCADLP [NH3+]CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652364133 487933237 /nfs/dbraw/zinc/93/32/37/487933237.db2.gz ZBIBWFNUHDGDTP-UTUOFQBUSA-N 2 2 227.352 0.306 20 0 BCADLP [NH3+]CC(F)(F)CC(=O)NCCCn1cc[nH+]c1 ZINC000569468288 322967110 /nfs/dbraw/zinc/96/71/10/322967110.db2.gz XEBJJWKQRVQNHZ-UHFFFAOYSA-N 2 2 246.261 0.374 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000560996688 322994017 /nfs/dbraw/zinc/99/40/17/322994017.db2.gz GSRMHOXYFZYOEU-SNVBAGLBSA-N 2 2 234.303 0.685 20 0 BCADLP C[N@H+](CCOC[C@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC000564729263 323011541 /nfs/dbraw/zinc/01/15/41/323011541.db2.gz OSVHWKUXOBGLOD-NWDGAFQWSA-N 2 2 228.336 0.476 20 0 BCADLP C[N@@H+](CCOC[C@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC000564729263 323011542 /nfs/dbraw/zinc/01/15/42/323011542.db2.gz OSVHWKUXOBGLOD-NWDGAFQWSA-N 2 2 228.336 0.476 20 0 BCADLP C[N@H+](CCOC[C@@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC000564729260 323011552 /nfs/dbraw/zinc/01/15/52/323011552.db2.gz OSVHWKUXOBGLOD-NEPJUHHUSA-N 2 2 228.336 0.476 20 0 BCADLP C[N@@H+](CCOC[C@@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC000564729260 323011553 /nfs/dbraw/zinc/01/15/53/323011553.db2.gz OSVHWKUXOBGLOD-NEPJUHHUSA-N 2 2 228.336 0.476 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+]1CCOC[C@@H]1CCCO1 ZINC000570162296 323051527 /nfs/dbraw/zinc/05/15/27/323051527.db2.gz JPQDLTDQCLJXNF-NEPJUHHUSA-N 2 2 228.336 0.605 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+]1CCOC[C@@H]1CCCO1 ZINC000570162296 323051528 /nfs/dbraw/zinc/05/15/28/323051528.db2.gz JPQDLTDQCLJXNF-NEPJUHHUSA-N 2 2 228.336 0.605 20 0 BCADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1csnn1 ZINC000570331914 323056190 /nfs/dbraw/zinc/05/61/90/323056190.db2.gz DCLBEQQRKFSFDC-RNFRBKRXSA-N 2 2 200.311 0.754 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]1COC ZINC000570812621 323071205 /nfs/dbraw/zinc/07/12/05/323071205.db2.gz FKHRBDSDJHRTOK-QWRGUYRKSA-N 2 2 216.325 0.020 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]1COC ZINC000570812621 323071206 /nfs/dbraw/zinc/07/12/06/323071206.db2.gz FKHRBDSDJHRTOK-QWRGUYRKSA-N 2 2 216.325 0.020 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]1COC ZINC000570812621 323071207 /nfs/dbraw/zinc/07/12/07/323071207.db2.gz FKHRBDSDJHRTOK-QWRGUYRKSA-N 2 2 216.325 0.020 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]1COC ZINC000570812621 323071208 /nfs/dbraw/zinc/07/12/08/323071208.db2.gz FKHRBDSDJHRTOK-QWRGUYRKSA-N 2 2 216.325 0.020 20 0 BCADLP [NH3+][C@H]1C[C@@H](C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000563201588 323101469 /nfs/dbraw/zinc/10/14/69/323101469.db2.gz ZTMZBFFBJOAQRL-MXWKQRLJSA-N 2 2 248.330 0.853 20 0 BCADLP CC[N@H+](CCCc1c[nH+]cn1C)CC(=O)OC ZINC000314073637 323106302 /nfs/dbraw/zinc/10/63/02/323106302.db2.gz LWKIXUPBKZLPPV-UHFFFAOYSA-N 2 2 239.319 0.848 20 0 BCADLP CC[N@@H+](CCCc1c[nH+]cn1C)CC(=O)OC ZINC000314073637 323106303 /nfs/dbraw/zinc/10/63/03/323106303.db2.gz LWKIXUPBKZLPPV-UHFFFAOYSA-N 2 2 239.319 0.848 20 0 BCADLP O=C1NCC[C@]12CCC[N@@H+]2CCn1cc[nH+]c1 ZINC000563365310 323121288 /nfs/dbraw/zinc/12/12/88/323121288.db2.gz QBGRMJFMCGBFDT-GFCCVEGCSA-N 2 2 234.303 0.238 20 0 BCADLP O=C1NCC[C@]12CCC[N@H+]2CCn1cc[nH+]c1 ZINC000563365310 323121289 /nfs/dbraw/zinc/12/12/89/323121289.db2.gz QBGRMJFMCGBFDT-GFCCVEGCSA-N 2 2 234.303 0.238 20 0 BCADLP Cc1ncncc1[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000563417148 323123579 /nfs/dbraw/zinc/12/35/79/323123579.db2.gz ISTDRZPLRXVQIK-ONGXEEELSA-N 2 2 238.335 0.358 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000563449778 323126408 /nfs/dbraw/zinc/12/64/08/323126408.db2.gz ALTNSFMPUBXUKU-VIFPVBQESA-N 2 2 237.307 0.303 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000563449778 323126409 /nfs/dbraw/zinc/12/64/09/323126409.db2.gz ALTNSFMPUBXUKU-VIFPVBQESA-N 2 2 237.307 0.303 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)OC(C)(C)C1 ZINC000310493694 323132439 /nfs/dbraw/zinc/13/24/39/323132439.db2.gz GLTXVZWKRXZJPZ-VXGBXAGGSA-N 2 2 244.379 0.798 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)OC(C)(C)C1 ZINC000310493694 323132440 /nfs/dbraw/zinc/13/24/40/323132440.db2.gz GLTXVZWKRXZJPZ-VXGBXAGGSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000310493694 323132441 /nfs/dbraw/zinc/13/24/41/323132441.db2.gz GLTXVZWKRXZJPZ-VXGBXAGGSA-N 2 2 244.379 0.798 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000310493694 323132442 /nfs/dbraw/zinc/13/24/42/323132442.db2.gz GLTXVZWKRXZJPZ-VXGBXAGGSA-N 2 2 244.379 0.798 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000563634743 323132924 /nfs/dbraw/zinc/13/29/24/323132924.db2.gz FDIORGNGQKSNJI-UHFFFAOYSA-N 2 2 236.319 0.710 20 0 BCADLP Cc1cc(NC(=O)N2CC[NH2+]CC2)c(C)c[nH+]1 ZINC000571532744 323147270 /nfs/dbraw/zinc/14/72/70/323147270.db2.gz IRGOLSVWTDLEGA-UHFFFAOYSA-N 2 2 234.303 0.557 20 0 BCADLP Cn1cnnc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000534841125 323161243 /nfs/dbraw/zinc/16/12/43/323161243.db2.gz NKZRWZQZJDTUPP-SNVBAGLBSA-N 2 2 246.318 0.918 20 0 BCADLP Cn1cnnc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000534841125 323161244 /nfs/dbraw/zinc/16/12/44/323161244.db2.gz NKZRWZQZJDTUPP-SNVBAGLBSA-N 2 2 246.318 0.918 20 0 BCADLP C[C@@H](CNC(=O)C1([NH3+])CCC1)Cn1cc[nH+]c1 ZINC000563813754 323178860 /nfs/dbraw/zinc/17/88/60/323178860.db2.gz OUKIPOZIZHYAAN-JTQLQIEISA-N 2 2 236.319 0.517 20 0 BCADLP CCO[C@H]1C[C@@]([NH3+])(c2nc(C[NH3+])no2)C1(C)C ZINC000563885603 323183282 /nfs/dbraw/zinc/18/32/82/323183282.db2.gz DLWAUWLSJODDSR-WRWORJQWSA-N 2 2 240.307 0.517 20 0 BCADLP Cn1ncc2c1nc[nH+]c2NC1CC[NH+](C)CC1 ZINC000037250570 323201311 /nfs/dbraw/zinc/20/13/11/323201311.db2.gz GDYMBJOOFNHTDQ-UHFFFAOYSA-N 2 2 246.318 0.869 20 0 BCADLP CCOC[C@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000530243898 323220080 /nfs/dbraw/zinc/22/00/80/323220080.db2.gz IOTAXDIJYSCQKU-CHWSQXEVSA-N 2 2 242.363 0.723 20 0 BCADLP CCOC[C@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000530243898 323220081 /nfs/dbraw/zinc/22/00/81/323220081.db2.gz IOTAXDIJYSCQKU-CHWSQXEVSA-N 2 2 242.363 0.723 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1CCO[C@H](C)C1 ZINC000532482627 323270917 /nfs/dbraw/zinc/27/09/17/323270917.db2.gz NUPIKXJABFPBNL-JHJVBQTASA-N 2 2 241.379 0.247 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1CCO[C@H](C)C1 ZINC000532482627 323270922 /nfs/dbraw/zinc/27/09/22/323270922.db2.gz NUPIKXJABFPBNL-JHJVBQTASA-N 2 2 241.379 0.247 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1CCO[C@H](C)C1 ZINC000532482630 323271156 /nfs/dbraw/zinc/27/11/56/323271156.db2.gz NUPIKXJABFPBNL-YNEHKIRRSA-N 2 2 241.379 0.247 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1CCO[C@H](C)C1 ZINC000532482630 323271160 /nfs/dbraw/zinc/27/11/60/323271160.db2.gz NUPIKXJABFPBNL-YNEHKIRRSA-N 2 2 241.379 0.247 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC000532501063 323271480 /nfs/dbraw/zinc/27/14/80/323271480.db2.gz YMNVZAUTENBENZ-FRRDWIJNSA-N 2 2 242.363 0.722 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC000532501063 323271484 /nfs/dbraw/zinc/27/14/84/323271484.db2.gz YMNVZAUTENBENZ-FRRDWIJNSA-N 2 2 242.363 0.722 20 0 BCADLP Cc1cccc2[nH+]c(CCNC(=O)[C@H](C)[NH3+])cn21 ZINC000083887942 487958886 /nfs/dbraw/zinc/95/88/86/487958886.db2.gz SPZGDWVLIYNJHE-JTQLQIEISA-N 2 2 246.314 0.649 20 0 BCADLP Cc1cccn2cc(CCNC(=O)C[NH3+])[nH+]c12 ZINC000083887928 487958598 /nfs/dbraw/zinc/95/85/98/487958598.db2.gz HDHVVMLQCALEAD-UHFFFAOYSA-N 2 2 232.287 0.260 20 0 BCADLP C[NH+]1CCN(C(=O)Cn2cc[nH+]c2C2CC2)CC1 ZINC000530128850 324486483 /nfs/dbraw/zinc/48/64/83/324486483.db2.gz DUMJKWDVRPVEAF-UHFFFAOYSA-N 2 2 248.330 0.535 20 0 BCADLP COCCCC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000158526101 487963964 /nfs/dbraw/zinc/96/39/64/487963964.db2.gz IAFBYRVDDYLENB-WDEREUQCSA-N 2 2 216.325 0.461 20 0 BCADLP COCCCC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000158526101 487963967 /nfs/dbraw/zinc/96/39/67/487963967.db2.gz IAFBYRVDDYLENB-WDEREUQCSA-N 2 2 216.325 0.461 20 0 BCADLP CC(C)C[C@@H]([NH3+])C(=O)NCCc1[nH]cc[nH+]1 ZINC000158540681 487964265 /nfs/dbraw/zinc/96/42/65/487964265.db2.gz VQWQRGFATXPSED-SECBINFHSA-N 2 2 224.308 0.442 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC000130090998 325012568 /nfs/dbraw/zinc/01/25/68/325012568.db2.gz CLMOQOKUPDTURS-GARJFASQSA-N 2 2 227.352 0.535 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC000130090998 325012570 /nfs/dbraw/zinc/01/25/70/325012570.db2.gz CLMOQOKUPDTURS-GARJFASQSA-N 2 2 227.352 0.535 20 0 BCADLP CCc1nncn1CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000546677868 325300757 /nfs/dbraw/zinc/30/07/57/325300757.db2.gz PITFYPBHAYVXCP-WDEREUQCSA-N 2 2 237.351 0.380 20 0 BCADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC000076003124 325325631 /nfs/dbraw/zinc/32/56/31/325325631.db2.gz WNAJIXFZGCRXKH-NSHDSACASA-N 2 2 227.352 0.396 20 0 BCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC000076003124 325325633 /nfs/dbraw/zinc/32/56/33/325325633.db2.gz WNAJIXFZGCRXKH-NSHDSACASA-N 2 2 227.352 0.396 20 0 BCADLP CCn1cc[nH+]c1CNCC[N@H+](CC)CCO ZINC000547388591 325350310 /nfs/dbraw/zinc/35/03/10/325350310.db2.gz LFOWKWAKROVQIM-UHFFFAOYSA-N 2 2 240.351 0.307 20 0 BCADLP CCC[N@H+](C)CC(=O)NCCc1c[nH+]cn1C ZINC000547482600 325361403 /nfs/dbraw/zinc/36/14/03/325361403.db2.gz OADNCBSKFUDBHG-UHFFFAOYSA-N 2 2 238.335 0.421 20 0 BCADLP CCC[N@@H+](C)CC(=O)NCCc1c[nH+]cn1C ZINC000547482600 325361404 /nfs/dbraw/zinc/36/14/04/325361404.db2.gz OADNCBSKFUDBHG-UHFFFAOYSA-N 2 2 238.335 0.421 20 0 BCADLP Cn1c[nH+]cc1CNC1CC([NH+](C)C)C1 ZINC000565491279 325918585 /nfs/dbraw/zinc/91/85/85/325918585.db2.gz LEWLSUGMIVRQQG-UHFFFAOYSA-N 2 2 208.309 0.602 20 0 BCADLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ncnn1C ZINC000565668391 325941494 /nfs/dbraw/zinc/94/14/94/325941494.db2.gz YAOLOVNFUCVVAW-GUBZILKMSA-N 2 2 223.324 0.736 20 0 BCADLP O=C(Nc1cc[nH+]cc1O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655609328 487971186 /nfs/dbraw/zinc/97/11/86/487971186.db2.gz OIGWROPVQRYYFS-NOZJJQNGSA-N 2 2 247.298 0.537 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C(C)(C)[C@@H](C)O)n1C ZINC000565962256 325979856 /nfs/dbraw/zinc/97/98/56/325979856.db2.gz HTZPJHOWXNCGMA-MRVPVSSYSA-N 2 2 211.309 0.978 20 0 BCADLP CSC[C@@H](O)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000566121399 325998783 /nfs/dbraw/zinc/99/87/83/325998783.db2.gz FTLMNQZFJUTTBK-JTQLQIEISA-N 2 2 229.349 0.276 20 0 BCADLP O=C(Nc1cc[nH+]cc1O)[C@@H]1CC12CC[NH2+]CC2 ZINC000566179589 326008029 /nfs/dbraw/zinc/00/80/29/326008029.db2.gz PLBUGWNOENBHNL-VIFPVBQESA-N 2 2 247.298 0.537 20 0 BCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nc(C2CC2)nn1C ZINC000566244466 326021761 /nfs/dbraw/zinc/02/17/61/326021761.db2.gz XFAYGMLQGQSNOV-NXEZZACHSA-N 2 2 249.362 0.862 20 0 BCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nc(C2CC2)nn1C ZINC000566244466 326021764 /nfs/dbraw/zinc/02/17/64/326021764.db2.gz XFAYGMLQGQSNOV-NXEZZACHSA-N 2 2 249.362 0.862 20 0 BCADLP [NH3+]CCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000566302737 326031362 /nfs/dbraw/zinc/03/13/62/326031362.db2.gz QQEMBHKHXQPLBE-JTQLQIEISA-N 3 2 208.309 0.938 20 0 BCADLP [NH3+]CCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000566302737 326031363 /nfs/dbraw/zinc/03/13/63/326031363.db2.gz QQEMBHKHXQPLBE-JTQLQIEISA-N 3 2 208.309 0.938 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@H]2C[C@@H](O)C2)C1 ZINC000566414251 326042164 /nfs/dbraw/zinc/04/21/64/326042164.db2.gz MWHCYWVOFJSACW-UTUOFQBUSA-N 2 2 235.331 0.980 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@H]2C[C@@H](O)C2)C1 ZINC000566414251 326042165 /nfs/dbraw/zinc/04/21/65/326042165.db2.gz MWHCYWVOFJSACW-UTUOFQBUSA-N 2 2 235.331 0.980 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@@H](O)C2CCC2)n1C ZINC000566499146 326058895 /nfs/dbraw/zinc/05/88/95/326058895.db2.gz NKQRFIIYXQMRJU-GFCCVEGCSA-N 2 2 223.320 0.979 20 0 BCADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]CCC(N)=O ZINC000566734225 326078081 /nfs/dbraw/zinc/07/80/81/326078081.db2.gz ZNIZJPAIQHMBJR-SNVBAGLBSA-N 2 2 227.352 0.572 20 0 BCADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]CCC(N)=O ZINC000566734225 326078083 /nfs/dbraw/zinc/07/80/83/326078083.db2.gz ZNIZJPAIQHMBJR-SNVBAGLBSA-N 2 2 227.352 0.572 20 0 BCADLP CCOCC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000566850761 326087701 /nfs/dbraw/zinc/08/77/01/326087701.db2.gz BXJFGCJFXFOWEX-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP CCOCC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000566850761 326087703 /nfs/dbraw/zinc/08/77/03/326087703.db2.gz BXJFGCJFXFOWEX-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP CCCCCNC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000566856376 326088897 /nfs/dbraw/zinc/08/88/97/326088897.db2.gz ZITXAQOBWKUPIH-LBPRGKRZSA-N 2 2 241.379 0.964 20 0 BCADLP CCCCCNC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000566856376 326088900 /nfs/dbraw/zinc/08/89/00/326088900.db2.gz ZITXAQOBWKUPIH-LBPRGKRZSA-N 2 2 241.379 0.964 20 0 BCADLP O[C@H](C[NH2+]CCn1cc[nH+]c1)CC(F)(F)F ZINC000307952362 326121406 /nfs/dbraw/zinc/12/14/06/326121406.db2.gz VOXZNBLYBZQPGJ-QMMMGPOBSA-N 2 2 237.225 0.786 20 0 BCADLP COC[C@H](CCO)[NH2+]Cc1c[nH+]c(C)n1C ZINC000567522445 326210201 /nfs/dbraw/zinc/21/02/01/326210201.db2.gz QOWXCCYZYOZEHX-JTQLQIEISA-N 2 2 227.308 0.216 20 0 BCADLP C[N@H+](CC1CCS(=O)(=O)CC1)C1CC([NH3+])C1 ZINC000567735657 326253245 /nfs/dbraw/zinc/25/32/45/326253245.db2.gz OMNJOJGYOBVHCS-UHFFFAOYSA-N 2 2 246.376 0.233 20 0 BCADLP C[N@@H+](CC1CCS(=O)(=O)CC1)C1CC([NH3+])C1 ZINC000567735657 326253246 /nfs/dbraw/zinc/25/32/46/326253246.db2.gz OMNJOJGYOBVHCS-UHFFFAOYSA-N 2 2 246.376 0.233 20 0 BCADLP CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000567894759 326278325 /nfs/dbraw/zinc/27/83/25/326278325.db2.gz SCYLLHNDEXJXEF-LNFKQOIKSA-N 2 2 214.309 0.130 20 0 BCADLP CCC[NH2+][C@@H](C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000567913733 326282309 /nfs/dbraw/zinc/28/23/09/326282309.db2.gz NZIKSFNHKGREMN-JTQLQIEISA-N 2 2 238.335 0.767 20 0 BCADLP Cn1c[nH+]cc1C[N@@H+]1CCC[C@]12CCNC2=O ZINC000568178009 326320983 /nfs/dbraw/zinc/32/09/83/326320983.db2.gz FDWIINCOHWOVHU-GFCCVEGCSA-N 2 2 234.303 0.275 20 0 BCADLP Cn1c[nH+]cc1C[N@H+]1CCC[C@]12CCNC2=O ZINC000568178009 326320984 /nfs/dbraw/zinc/32/09/84/326320984.db2.gz FDWIINCOHWOVHU-GFCCVEGCSA-N 2 2 234.303 0.275 20 0 BCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH+](C)C ZINC000568201796 326325302 /nfs/dbraw/zinc/32/53/02/326325302.db2.gz ZRLYBAJZRGJYIU-JTQLQIEISA-N 2 2 238.335 0.608 20 0 BCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH+](C)C ZINC000568201796 326325305 /nfs/dbraw/zinc/32/53/05/326325305.db2.gz ZRLYBAJZRGJYIU-JTQLQIEISA-N 2 2 238.335 0.608 20 0 BCADLP Cc1n[nH]cc1C[NH2+]C1CC([NH+](C)C)C1 ZINC000568239615 326332953 /nfs/dbraw/zinc/33/29/53/326332953.db2.gz PTOVQZGHDIJUBF-UHFFFAOYSA-N 2 2 208.309 0.900 20 0 BCADLP CC(C)[NH2+]CCC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000568381410 326351333 /nfs/dbraw/zinc/35/13/33/326351333.db2.gz JQXZRJDUXPJRGX-CHWSQXEVSA-N 3 2 243.395 0.731 20 0 BCADLP C[N@H+](CC[NH3+])CCOC[C@@H]1CCCO1 ZINC000568733234 326373993 /nfs/dbraw/zinc/37/39/93/326373993.db2.gz SFGBGMLLAHLXDS-JTQLQIEISA-N 2 2 202.298 0.073 20 0 BCADLP C[N@@H+](CC[NH3+])CCOC[C@@H]1CCCO1 ZINC000568733234 326373994 /nfs/dbraw/zinc/37/39/94/326373994.db2.gz SFGBGMLLAHLXDS-JTQLQIEISA-N 2 2 202.298 0.073 20 0 BCADLP C[NH2+][C@@H](C)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000568662957 326371524 /nfs/dbraw/zinc/37/15/24/326371524.db2.gz OVUODOXGZCPUDW-JTQLQIEISA-N 2 2 246.314 0.867 20 0 BCADLP C[C@@H](C[NH3+])C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000568758773 326375514 /nfs/dbraw/zinc/37/55/14/326375514.db2.gz RQMRLNAJCBJCHH-QMMMGPOBSA-N 2 2 218.260 0.868 20 0 BCADLP C[C@H](CC(=O)N(C)CC[NH3+])n1cc[nH+]c1 ZINC000568762627 326375765 /nfs/dbraw/zinc/37/57/65/326375765.db2.gz SOHUKYBCRSGIJL-SECBINFHSA-N 2 2 210.281 0.251 20 0 BCADLP C[C@@H](CC(=O)N(C)CC[NH3+])n1cc[nH+]c1 ZINC000568762628 326375882 /nfs/dbraw/zinc/37/58/82/326375882.db2.gz SOHUKYBCRSGIJL-VIFPVBQESA-N 2 2 210.281 0.251 20 0 BCADLP c1c[nH+]c(N2CC[NH+](Cc3cc[nH]n3)CC2)[nH]1 ZINC000568997766 326385830 /nfs/dbraw/zinc/38/58/30/326385830.db2.gz YCNNVQAPDMUKJO-UHFFFAOYSA-N 2 2 232.291 0.455 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000572963741 326421267 /nfs/dbraw/zinc/42/12/67/326421267.db2.gz NOXVNTKRDDVAKV-UMNHJUIQSA-N 2 2 234.303 0.140 20 0 BCADLP O=C(NCC[NH+]1CCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682514473 487973857 /nfs/dbraw/zinc/97/38/57/487973857.db2.gz BREHWYBVWHKFKC-LLVKDONJSA-N 2 2 248.330 0.267 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(C)(O)CC1 ZINC000310396482 487977608 /nfs/dbraw/zinc/97/76/08/487977608.db2.gz MDCNKTAGINPCSJ-LBPRGKRZSA-N 2 2 244.379 0.534 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(O)CC1 ZINC000310396482 487977612 /nfs/dbraw/zinc/97/76/12/487977612.db2.gz MDCNKTAGINPCSJ-LBPRGKRZSA-N 2 2 244.379 0.534 20 0 BCADLP CC[C@H]([NH3+])c1cn(CCCn2cc[nH+]c2)nn1 ZINC000229949653 488007816 /nfs/dbraw/zinc/00/78/16/488007816.db2.gz QDGUBKAHZMKACH-JTQLQIEISA-N 2 2 234.307 0.975 20 0 BCADLP Cn1cc(C[N@H+](C)CCc2c[nH+]cn2C)nn1 ZINC000661744572 488010475 /nfs/dbraw/zinc/01/04/75/488010475.db2.gz WTUOPMYTDRROEX-UHFFFAOYSA-N 2 2 234.307 0.223 20 0 BCADLP Cn1cc(C[N@@H+](C)CCc2c[nH+]cn2C)nn1 ZINC000661744572 488010479 /nfs/dbraw/zinc/01/04/79/488010479.db2.gz WTUOPMYTDRROEX-UHFFFAOYSA-N 2 2 234.307 0.223 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](C(N)=O)C2)n1C ZINC000667471011 488017666 /nfs/dbraw/zinc/01/76/66/488017666.db2.gz UCYNMCNOOPGJDU-SECBINFHSA-N 2 2 222.292 0.036 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](C(N)=O)C2)n1C ZINC000667471011 488017670 /nfs/dbraw/zinc/01/76/70/488017670.db2.gz UCYNMCNOOPGJDU-SECBINFHSA-N 2 2 222.292 0.036 20 0 BCADLP Cc1[nH+]cc(C[NH+]2CCC(CO)CC2)n1C ZINC000667495527 488026675 /nfs/dbraw/zinc/02/66/75/488026675.db2.gz NGFLXDDSBCZJQE-UHFFFAOYSA-N 2 2 223.320 0.933 20 0 BCADLP CC[C@@H](O)C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000229970358 488027957 /nfs/dbraw/zinc/02/79/57/488027957.db2.gz VULSDMCIBGIDOM-HBNTYKKESA-N 2 2 216.325 0.114 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cnc2c(c1)c(C)nn2C ZINC000663508049 488054191 /nfs/dbraw/zinc/05/41/91/488054191.db2.gz HCARBWCPFWLFAM-SECBINFHSA-N 2 2 247.346 0.974 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000515174465 488071616 /nfs/dbraw/zinc/07/16/16/488071616.db2.gz JIAYQAPTJXYZFS-STQMWFEESA-N 3 2 241.379 0.032 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000515174465 488071620 /nfs/dbraw/zinc/07/16/20/488071620.db2.gz JIAYQAPTJXYZFS-STQMWFEESA-N 3 2 241.379 0.032 20 0 BCADLP CO[C@H]1CC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667648935 488071725 /nfs/dbraw/zinc/07/17/25/488071725.db2.gz DWSNRXXEGHEZCW-NSHDSACASA-N 2 2 209.293 0.949 20 0 BCADLP CO[C@H]1CC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667648935 488071727 /nfs/dbraw/zinc/07/17/27/488071727.db2.gz DWSNRXXEGHEZCW-NSHDSACASA-N 2 2 209.293 0.949 20 0 BCADLP CC[N@H+](CCCO)Cc1c[nH+]c(C)n1C ZINC000667668322 488082050 /nfs/dbraw/zinc/08/20/50/488082050.db2.gz JOXUHIQPGOAQSH-UHFFFAOYSA-N 2 2 211.309 0.933 20 0 BCADLP CC[N@@H+](CCCO)Cc1c[nH+]c(C)n1C ZINC000667668322 488082054 /nfs/dbraw/zinc/08/20/54/488082054.db2.gz JOXUHIQPGOAQSH-UHFFFAOYSA-N 2 2 211.309 0.933 20 0 BCADLP C[N@@H+]1CCN(C(=O)NCCC2CC2)[C@H](C[NH3+])C1 ZINC000669504252 488092131 /nfs/dbraw/zinc/09/21/31/488092131.db2.gz CXJQYVMPUSEJEP-LLVKDONJSA-N 2 2 240.351 0.071 20 0 BCADLP CC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000236948400 488098371 /nfs/dbraw/zinc/09/83/71/488098371.db2.gz LGVKHOAPUORENA-QWRGUYRKSA-N 2 2 248.330 0.514 20 0 BCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000092954802 488104796 /nfs/dbraw/zinc/10/47/96/488104796.db2.gz GWWBHKLCRNGUCT-UWVGGRQHSA-N 2 2 236.319 0.377 20 0 BCADLP CCCn1nccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000160245367 488117518 /nfs/dbraw/zinc/11/75/18/488117518.db2.gz APSPKPDJKPSFEP-RYUDHWBXSA-N 2 2 234.347 0.944 20 0 BCADLP C[NH2+]C[C@@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000237250292 488127534 /nfs/dbraw/zinc/12/75/34/488127534.db2.gz AOIHPQCMGJWCOV-SSDOTTSWSA-N 2 2 208.265 0.458 20 0 BCADLP C[C@@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)[NH+](C)C ZINC000681755574 487538727 /nfs/dbraw/zinc/53/87/27/487538727.db2.gz VYUOPMLHPWOBKG-UWVGGRQHSA-N 2 2 236.319 0.264 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C[NH3+])o1 ZINC000094565624 487540964 /nfs/dbraw/zinc/54/09/64/487540964.db2.gz XFOCMMWTABKTEP-SECBINFHSA-N 2 2 248.286 0.753 20 0 BCADLP CNC(=O)[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668243517 487543453 /nfs/dbraw/zinc/54/34/53/487543453.db2.gz BHOMVLSPLVQZDQ-SNVBAGLBSA-N 2 2 248.330 0.397 20 0 BCADLP CNC(=O)[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668243517 487543460 /nfs/dbraw/zinc/54/34/60/487543460.db2.gz BHOMVLSPLVQZDQ-SNVBAGLBSA-N 2 2 248.330 0.397 20 0 BCADLP C[C@]1(C[N@H+]2CC[C@](F)(CO)C2)CC[NH2+]C1 ZINC000261555102 487545093 /nfs/dbraw/zinc/54/50/93/487545093.db2.gz UROYYFHJKTYTRW-WDEREUQCSA-N 2 2 216.300 0.392 20 0 BCADLP C[C@]1(C[N@@H+]2CC[C@](F)(CO)C2)CC[NH2+]C1 ZINC000261555102 487545084 /nfs/dbraw/zinc/54/50/84/487545084.db2.gz UROYYFHJKTYTRW-WDEREUQCSA-N 2 2 216.300 0.392 20 0 BCADLP Cc1ccc(NC(=O)CN2CC[NH2+]CC2)c(C)[nH+]1 ZINC000094665909 487550005 /nfs/dbraw/zinc/55/00/05/487550005.db2.gz MYMFEDCKRXCOMB-UHFFFAOYSA-N 2 2 248.330 0.542 20 0 BCADLP C[C@@H](C(=O)N1CC[NH+](C2CCC2)CC1)[NH+](C)C ZINC000674289800 487551622 /nfs/dbraw/zinc/55/16/22/487551622.db2.gz SAPNOAQWBICRAI-NSHDSACASA-N 2 2 239.363 0.633 20 0 BCADLP O=C1NCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000658051878 487533021 /nfs/dbraw/zinc/53/30/21/487533021.db2.gz BRYHTUNMOBCVHN-NSHDSACASA-N 2 2 223.320 0.091 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1[C@H]2CC[C@@H]1CCC2 ZINC000380825705 487488306 /nfs/dbraw/zinc/48/83/06/487488306.db2.gz ZMHGDJSMBUUWGR-GRYCIOLGSA-N 2 2 210.321 0.992 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1[C@H]2CC[C@@H]1CCC2 ZINC000380825705 487488311 /nfs/dbraw/zinc/48/83/11/487488311.db2.gz ZMHGDJSMBUUWGR-GRYCIOLGSA-N 2 2 210.321 0.992 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)n1C ZINC000668227791 487488907 /nfs/dbraw/zinc/48/89/07/487488907.db2.gz TXETYMXEPVDTDW-SKDRFNHKSA-N 2 2 223.320 0.931 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2C[C@H](C)C[C@H](O)C2)n1C ZINC000668227791 487488910 /nfs/dbraw/zinc/48/89/10/487488910.db2.gz TXETYMXEPVDTDW-SKDRFNHKSA-N 2 2 223.320 0.931 20 0 BCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000086272188 487496067 /nfs/dbraw/zinc/49/60/67/487496067.db2.gz NNKQJGZVTQGIGK-IUCAKERBSA-N 2 2 222.292 0.366 20 0 BCADLP C[N@H+](CCC[NH3+])CC(=O)N1CCCCC1 ZINC000019834780 487501455 /nfs/dbraw/zinc/50/14/55/487501455.db2.gz ZMGHEOVMULNGLR-UHFFFAOYSA-N 2 2 213.325 0.280 20 0 BCADLP C[N@@H+](CCC[NH3+])CC(=O)N1CCCCC1 ZINC000019834780 487501459 /nfs/dbraw/zinc/50/14/59/487501459.db2.gz ZMGHEOVMULNGLR-UHFFFAOYSA-N 2 2 213.325 0.280 20 0 BCADLP C[N@H+](CCC[NH3+])Cc1cn2cccnc2n1 ZINC000227748789 487519284 /nfs/dbraw/zinc/51/92/84/487519284.db2.gz UFQGJEQNIWHONE-UHFFFAOYSA-N 2 2 219.292 0.510 20 0 BCADLP C[N@@H+](CCC[NH3+])Cc1cn2cccnc2n1 ZINC000227748789 487519286 /nfs/dbraw/zinc/51/92/86/487519286.db2.gz UFQGJEQNIWHONE-UHFFFAOYSA-N 2 2 219.292 0.510 20 0 BCADLP COc1cc[nH+]c(CN2CC[C@H]([NH3+])C2)c1OC ZINC000232197890 487521529 /nfs/dbraw/zinc/52/15/29/487521529.db2.gz RSRZCCKNHJQISY-VIFPVBQESA-N 2 2 237.303 0.632 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC000168564364 487521788 /nfs/dbraw/zinc/52/17/88/487521788.db2.gz YNGMLXKDZSCTJW-ZJUUUORDSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC000168564364 487521791 /nfs/dbraw/zinc/52/17/91/487521791.db2.gz YNGMLXKDZSCTJW-ZJUUUORDSA-N 2 2 208.309 0.589 20 0 BCADLP COc1cc[nH+]c(CN(C)[C@@H](C)C[NH3+])c1OC ZINC000232199667 487522839 /nfs/dbraw/zinc/52/28/39/487522839.db2.gz SRSCGQFXEWZYCA-VIFPVBQESA-N 2 2 239.319 0.878 20 0 BCADLP CNC(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660657624 488145567 /nfs/dbraw/zinc/14/55/67/488145567.db2.gz YSGRWDXZKJFMBW-LBPRGKRZSA-N 2 2 225.336 0.150 20 0 BCADLP CNC(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660657624 488145573 /nfs/dbraw/zinc/14/55/73/488145573.db2.gz YSGRWDXZKJFMBW-LBPRGKRZSA-N 2 2 225.336 0.150 20 0 BCADLP CNC(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660657624 488145577 /nfs/dbraw/zinc/14/55/77/488145577.db2.gz YSGRWDXZKJFMBW-LBPRGKRZSA-N 2 2 225.336 0.150 20 0 BCADLP CNC(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660657624 488145583 /nfs/dbraw/zinc/14/55/83/488145583.db2.gz YSGRWDXZKJFMBW-LBPRGKRZSA-N 2 2 225.336 0.150 20 0 BCADLP Cn1nccc1CC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000230764217 488155708 /nfs/dbraw/zinc/15/57/08/488155708.db2.gz CDOWLCVQMRBBTB-GFCCVEGCSA-N 2 2 222.336 0.776 20 0 BCADLP Cn1nccc1CC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000230764217 488155710 /nfs/dbraw/zinc/15/57/10/488155710.db2.gz CDOWLCVQMRBBTB-GFCCVEGCSA-N 2 2 222.336 0.776 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)n1C ZINC000667959262 488168686 /nfs/dbraw/zinc/16/86/86/488168686.db2.gz JETNKVMXWSAYSZ-MWLCHTKSSA-N 2 2 223.320 0.931 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)n1C ZINC000667959262 488168692 /nfs/dbraw/zinc/16/86/92/488168692.db2.gz JETNKVMXWSAYSZ-MWLCHTKSSA-N 2 2 223.320 0.931 20 0 BCADLP C[C@@H](C(=O)NCc1cn2ccccc2[nH+]1)[NH+](C)C ZINC000674246097 487535097 /nfs/dbraw/zinc/53/50/97/487535097.db2.gz CSHQEXWETDSACT-JTQLQIEISA-N 2 2 246.314 0.901 20 0 BCADLP Cc1[nH+]cc(CN2CC[NH+](C)CC2)n1C ZINC000060091464 487605641 /nfs/dbraw/zinc/60/56/41/487605641.db2.gz KOCFHLQNBCMVFA-UHFFFAOYSA-N 2 2 208.309 0.476 20 0 BCADLP COC[C@@H](C)C[N@H+](C)CC1C[NH+](C)C1 ZINC000668539790 487905412 /nfs/dbraw/zinc/90/54/12/487905412.db2.gz MPEJBPJFFFTHSL-JTQLQIEISA-N 2 2 200.326 0.762 20 0 BCADLP COC[C@@H](C)C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668539790 487905415 /nfs/dbraw/zinc/90/54/15/487905415.db2.gz MPEJBPJFFFTHSL-JTQLQIEISA-N 2 2 200.326 0.762 20 0 BCADLP Nc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cn1 ZINC000647546580 487965539 /nfs/dbraw/zinc/96/55/39/487965539.db2.gz QEDPOXUGHAJAEQ-LLVKDONJSA-N 2 2 220.320 0.896 20 0 BCADLP Cc1[nH]c2ccc(-n3cc(CC[NH3+])nn3)cc2[nH+]1 ZINC000084069383 487993698 /nfs/dbraw/zinc/99/36/98/487993698.db2.gz KYCMNIYOUCHKHX-UHFFFAOYSA-N 2 2 242.286 0.953 20 0 BCADLP Cc1[nH]c2cc(-n3cc(CC[NH3+])nn3)ccc2[nH+]1 ZINC000084069383 487993703 /nfs/dbraw/zinc/99/37/03/487993703.db2.gz KYCMNIYOUCHKHX-UHFFFAOYSA-N 2 2 242.286 0.953 20 0 BCADLP CCNC(=O)C[NH2+]Cc1c[nH+]cn1CC ZINC000085183173 488135118 /nfs/dbraw/zinc/13/51/18/488135118.db2.gz ZBAWITGWUIUTAU-UHFFFAOYSA-N 2 2 210.281 0.129 20 0 BCADLP C[C@@H](O)C1([NH2+]Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000668702483 488137934 /nfs/dbraw/zinc/13/79/34/488137934.db2.gz JUPWPKSTJHHIMS-SECBINFHSA-N 2 2 238.335 0.489 20 0 BCADLP CCn1cnnc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000230750223 488151720 /nfs/dbraw/zinc/15/17/20/488151720.db2.gz KAXHLTBURBWOMR-VHSXEESVSA-N 2 2 223.324 0.658 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000657877443 488159912 /nfs/dbraw/zinc/15/99/12/488159912.db2.gz RJYBWYIPWBPLKF-YPMHNXCESA-N 2 2 249.362 0.741 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000657877443 488159919 /nfs/dbraw/zinc/15/99/19/488159919.db2.gz RJYBWYIPWBPLKF-YPMHNXCESA-N 2 2 249.362 0.741 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)n1C ZINC000667959260 488168757 /nfs/dbraw/zinc/16/87/57/488168757.db2.gz JETNKVMXWSAYSZ-GXSJLCMTSA-N 2 2 223.320 0.931 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)n1C ZINC000667959260 488168760 /nfs/dbraw/zinc/16/87/60/488168760.db2.gz JETNKVMXWSAYSZ-GXSJLCMTSA-N 2 2 223.320 0.931 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)Cc1cn[nH]c1 ZINC000677986934 488168862 /nfs/dbraw/zinc/16/88/62/488168862.db2.gz YBUVCNDRFVVLIT-UHFFFAOYSA-N 2 2 205.265 0.738 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)Cc1cn[nH]c1 ZINC000677986934 488168866 /nfs/dbraw/zinc/16/88/66/488168866.db2.gz YBUVCNDRFVVLIT-UHFFFAOYSA-N 2 2 205.265 0.738 20 0 BCADLP C[C@H]1COCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000677987279 488169247 /nfs/dbraw/zinc/16/92/47/488169247.db2.gz SLXPWYIZIMUWRH-NSHDSACASA-N 2 2 209.293 0.994 20 0 BCADLP C[C@H]1COCCC[N@H+]1CCn1cc[nH+]c1 ZINC000677987279 488169249 /nfs/dbraw/zinc/16/92/49/488169249.db2.gz SLXPWYIZIMUWRH-NSHDSACASA-N 2 2 209.293 0.994 20 0 BCADLP C[C@@H](CO)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000678046221 488182435 /nfs/dbraw/zinc/18/24/35/488182435.db2.gz NELTXWHOAYFKNG-LLVKDONJSA-N 2 2 238.335 0.171 20 0 BCADLP CCNC(=O)C[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000678073502 488191798 /nfs/dbraw/zinc/19/17/98/488191798.db2.gz VSYCMGJWKFYORA-LLVKDONJSA-N 2 2 227.352 0.539 20 0 BCADLP CCNC(=O)C[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000678073502 488191799 /nfs/dbraw/zinc/19/17/99/488191799.db2.gz VSYCMGJWKFYORA-LLVKDONJSA-N 2 2 227.352 0.539 20 0 BCADLP CCNC(=O)C[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000678073502 488191801 /nfs/dbraw/zinc/19/18/01/488191801.db2.gz VSYCMGJWKFYORA-LLVKDONJSA-N 2 2 227.352 0.539 20 0 BCADLP CCNC(=O)C[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000678073502 488191803 /nfs/dbraw/zinc/19/18/03/488191803.db2.gz VSYCMGJWKFYORA-LLVKDONJSA-N 2 2 227.352 0.539 20 0 BCADLP Cc1cc(C)n(CC[N@@H+](C)[C@H](C)C[NH3+])n1 ZINC000322591811 488192854 /nfs/dbraw/zinc/19/28/54/488192854.db2.gz KWVQDJHODKNTTK-LLVKDONJSA-N 2 2 210.325 0.779 20 0 BCADLP Cc1cc(C)n(CC[N@H+](C)[C@H](C)C[NH3+])n1 ZINC000322591811 488192858 /nfs/dbraw/zinc/19/28/58/488192858.db2.gz KWVQDJHODKNTTK-LLVKDONJSA-N 2 2 210.325 0.779 20 0 BCADLP CC(C)CC[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000043802640 488208623 /nfs/dbraw/zinc/20/86/23/488208623.db2.gz WLHFVBVRSNADMW-LLVKDONJSA-N 2 2 200.326 0.953 20 0 BCADLP CC(C)CC[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000043802640 488208627 /nfs/dbraw/zinc/20/86/27/488208627.db2.gz WLHFVBVRSNADMW-LLVKDONJSA-N 2 2 200.326 0.953 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CC1([NH3+])CC1 ZINC000398160178 488213570 /nfs/dbraw/zinc/21/35/70/488213570.db2.gz KKNGAOHJYLCZMF-VIFPVBQESA-N 2 2 222.292 0.269 20 0 BCADLP C[C@@H](C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000678216821 488219444 /nfs/dbraw/zinc/21/94/44/488219444.db2.gz ICHKKQPBEYPIFO-MXWKQRLJSA-N 2 2 227.352 0.488 20 0 BCADLP C[C@@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000678216821 488219445 /nfs/dbraw/zinc/21/94/45/488219445.db2.gz ICHKKQPBEYPIFO-MXWKQRLJSA-N 2 2 227.352 0.488 20 0 BCADLP CC[C@H](CO)[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000668201828 488221044 /nfs/dbraw/zinc/22/10/44/488221044.db2.gz JYKQMMITLHXGEA-SNVBAGLBSA-N 2 2 211.309 0.931 20 0 BCADLP CC[C@H](CO)[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000668201828 488221047 /nfs/dbraw/zinc/22/10/47/488221047.db2.gz JYKQMMITLHXGEA-SNVBAGLBSA-N 2 2 211.309 0.931 20 0 BCADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000683899169 488240905 /nfs/dbraw/zinc/24/09/05/488240905.db2.gz VTHRHHWTEBPPDT-UHFFFAOYSA-N 2 2 246.318 0.465 20 0 BCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000672151714 488241664 /nfs/dbraw/zinc/24/16/64/488241664.db2.gz XSGXYTLJGBTUEV-MNOVXSKESA-N 2 2 248.330 0.266 20 0 BCADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000672151714 488241668 /nfs/dbraw/zinc/24/16/68/488241668.db2.gz XSGXYTLJGBTUEV-MNOVXSKESA-N 2 2 248.330 0.266 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672152257 488241868 /nfs/dbraw/zinc/24/18/68/488241868.db2.gz IMFIICNVVNMWCA-JQWIXIFHSA-N 2 2 248.330 0.408 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672152257 488241871 /nfs/dbraw/zinc/24/18/71/488241871.db2.gz IMFIICNVVNMWCA-JQWIXIFHSA-N 2 2 248.330 0.408 20 0 BCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000672151716 488242114 /nfs/dbraw/zinc/24/21/14/488242114.db2.gz XSGXYTLJGBTUEV-WDEREUQCSA-N 2 2 248.330 0.266 20 0 BCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000672151716 488242118 /nfs/dbraw/zinc/24/21/18/488242118.db2.gz XSGXYTLJGBTUEV-WDEREUQCSA-N 2 2 248.330 0.266 20 0 BCADLP C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000673660600 488301517 /nfs/dbraw/zinc/30/15/17/488301517.db2.gz BLPRAWTZWSOBKQ-JTQLQIEISA-N 2 2 222.292 0.094 20 0 BCADLP C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000673660600 488301518 /nfs/dbraw/zinc/30/15/18/488301518.db2.gz BLPRAWTZWSOBKQ-JTQLQIEISA-N 2 2 222.292 0.094 20 0 BCADLP C[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000684432867 488312551 /nfs/dbraw/zinc/31/25/51/488312551.db2.gz OFJZJVKCZPARGJ-NSHDSACASA-N 2 2 236.319 0.553 20 0 BCADLP C[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000684432867 488312553 /nfs/dbraw/zinc/31/25/53/488312553.db2.gz OFJZJVKCZPARGJ-NSHDSACASA-N 2 2 236.319 0.553 20 0 BCADLP C[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000684432867 488312554 /nfs/dbraw/zinc/31/25/54/488312554.db2.gz OFJZJVKCZPARGJ-NSHDSACASA-N 2 2 236.319 0.553 20 0 BCADLP C[N@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000684432867 488312555 /nfs/dbraw/zinc/31/25/55/488312555.db2.gz OFJZJVKCZPARGJ-NSHDSACASA-N 2 2 236.319 0.553 20 0 BCADLP C[C@@H](C(=O)NCC[N@H+]1CC=CCC1)[NH+](C)C ZINC000684502235 488322974 /nfs/dbraw/zinc/32/29/74/488322974.db2.gz OESKPDOOPGJJFV-NSHDSACASA-N 2 2 225.336 0.315 20 0 BCADLP C[C@@H](C(=O)NCC[N@@H+]1CC=CCC1)[NH+](C)C ZINC000684502235 488322975 /nfs/dbraw/zinc/32/29/75/488322975.db2.gz OESKPDOOPGJJFV-NSHDSACASA-N 2 2 225.336 0.315 20 0 BCADLP CC(C)(CO)[NH+]1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000684619301 488333021 /nfs/dbraw/zinc/33/30/21/488333021.db2.gz OACWEWNRPSTTKA-UHFFFAOYSA-N 2 2 238.335 0.298 20 0 BCADLP CC(C)(CO)[NH+]1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000684619301 488333023 /nfs/dbraw/zinc/33/30/23/488333023.db2.gz OACWEWNRPSTTKA-UHFFFAOYSA-N 2 2 238.335 0.298 20 0 BCADLP C[C@H](CCCCO)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000679341084 488342026 /nfs/dbraw/zinc/34/20/26/488342026.db2.gz RECYKJLIGWXVEG-CHWSQXEVSA-N 2 2 243.395 0.373 20 0 BCADLP C[C@H](CCCCO)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000679341084 488342028 /nfs/dbraw/zinc/34/20/28/488342028.db2.gz RECYKJLIGWXVEG-CHWSQXEVSA-N 2 2 243.395 0.373 20 0 BCADLP O[C@H](C[NH2+]Cc1ccncn1)C[NH+]1CCCC1 ZINC000236553206 490200499 /nfs/dbraw/zinc/20/04/99/490200499.db2.gz ZRTBWAQZDCXYBG-GFCCVEGCSA-N 2 2 236.319 0.023 20 0 BCADLP C[C@@]1(C(=O)NCc2c[nH+]c[nH]2)CCC[NH2+]1 ZINC000084081205 490364989 /nfs/dbraw/zinc/36/49/89/490364989.db2.gz MIMKCFHLDIXTHR-JTQLQIEISA-N 2 2 208.265 0.168 20 0 BCADLP C[C@@]1(C(=O)NCc2c[nH]c[nH+]2)CCC[NH2+]1 ZINC000084081205 490364997 /nfs/dbraw/zinc/36/49/97/490364997.db2.gz MIMKCFHLDIXTHR-JTQLQIEISA-N 2 2 208.265 0.168 20 0 BCADLP COC1CCC([N@H+](C)C[C@H]2C[NH2+]CCO2)CC1 ZINC000130303030 490372588 /nfs/dbraw/zinc/37/25/88/490372588.db2.gz OROGIHPESUNNGT-WXRRBKDZSA-N 2 2 242.363 0.864 20 0 BCADLP COC1CCC([N@@H+](C)C[C@H]2C[NH2+]CCO2)CC1 ZINC000130303030 490372592 /nfs/dbraw/zinc/37/25/92/490372592.db2.gz OROGIHPESUNNGT-WXRRBKDZSA-N 2 2 242.363 0.864 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCCC1CC1 ZINC000653094106 491100287 /nfs/dbraw/zinc/10/02/87/491100287.db2.gz XFWTZBDRPMGDGF-NSHDSACASA-N 2 2 227.352 0.572 20 0 BCADLP C[N@H+]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@H](C[NH3+])C1 ZINC000662430554 491100919 /nfs/dbraw/zinc/10/09/19/491100919.db2.gz ZXQUYAWYGYMCHF-NOOOWODRSA-N 2 2 237.347 0.134 20 0 BCADLP Cc1nc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc[nH+]1 ZINC000333694111 491108571 /nfs/dbraw/zinc/10/85/71/491108571.db2.gz MWSHDJLXSXYJSV-TXEJJXNPSA-N 2 2 248.330 1.060 20 0 BCADLP Cc1nc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc[nH+]1 ZINC000333694111 491108572 /nfs/dbraw/zinc/10/85/72/491108572.db2.gz MWSHDJLXSXYJSV-TXEJJXNPSA-N 2 2 248.330 1.060 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000134269273 491162627 /nfs/dbraw/zinc/16/26/27/491162627.db2.gz WSGZCMXVWPSGLY-NEPJUHHUSA-N 2 2 222.336 0.955 20 0 BCADLP C[C@H](Cn1cccn1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000134269273 491162628 /nfs/dbraw/zinc/16/26/28/491162628.db2.gz WSGZCMXVWPSGLY-NEPJUHHUSA-N 2 2 222.336 0.955 20 0 BCADLP COC(=O)N1CC([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000496220109 533932284 /nfs/dbraw/zinc/93/22/84/533932284.db2.gz VNJLNGVAUFOXMB-WCBMZHEXSA-N 2 2 227.308 0.025 20 0 BCADLP COC(=O)N1CCC([NH2+][C@@H](C)C[NH+](C)C)CC1 ZINC000495773251 533945985 /nfs/dbraw/zinc/94/59/85/533945985.db2.gz DXPUDVQJLXFNJH-JTQLQIEISA-N 2 2 243.351 0.757 20 0 BCADLP CN(CC[NH+](C)C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000176380235 535850198 /nfs/dbraw/zinc/85/01/98/535850198.db2.gz QJCOTMMRZVOMMM-UHFFFAOYSA-N 2 2 246.314 0.968 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000036999324 518182654 /nfs/dbraw/zinc/18/26/54/518182654.db2.gz UUBZKABRNUJYIQ-GHMZBOCLSA-N 2 2 236.319 0.387 20 0 BCADLP CC[C@H]([NH3+])CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000892143615 582799980 /nfs/dbraw/zinc/79/99/80/582799980.db2.gz DTZUTUYOUMKWQW-QMMMGPOBSA-N 2 2 225.296 0.288 20 0 BCADLP Cc1[nH+]ccn1CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493101713 534772699 /nfs/dbraw/zinc/77/26/99/534772699.db2.gz CTDVSMISYKAHRW-NSCUHMNNSA-N 2 2 245.286 0.744 20 0 BCADLP O=C(/C=C/c1[nH]cc[nH+]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000493485848 534787324 /nfs/dbraw/zinc/78/73/24/534787324.db2.gz CJSSKCLALDQUPW-UFFNRZRYSA-N 2 2 246.314 0.730 20 0 BCADLP O=C(/C=C/c1[nH]cc[nH+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000493485848 534787329 /nfs/dbraw/zinc/78/73/29/534787329.db2.gz CJSSKCLALDQUPW-UFFNRZRYSA-N 2 2 246.314 0.730 20 0 BCADLP c1c[nH]c(C[NH2+]CCCn2cc[nH+]c2)n1 ZINC000022863266 526405909 /nfs/dbraw/zinc/40/59/09/526405909.db2.gz JZQGKNSIJQJDLN-UHFFFAOYSA-N 2 2 205.265 0.786 20 0 BCADLP COC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220922181 536472633 /nfs/dbraw/zinc/47/26/33/536472633.db2.gz RCEXYVMWIAVOGJ-WDEREUQCSA-N 2 2 226.320 0.576 20 0 BCADLP COC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220922181 536472636 /nfs/dbraw/zinc/47/26/36/536472636.db2.gz RCEXYVMWIAVOGJ-WDEREUQCSA-N 2 2 226.320 0.576 20 0 BCADLP COC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164395883 536473093 /nfs/dbraw/zinc/47/30/93/536473093.db2.gz DEECSXBBOVCYGE-AEJSXWLSSA-N 2 2 212.293 0.219 20 0 BCADLP COC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164395883 536473097 /nfs/dbraw/zinc/47/30/97/536473097.db2.gz DEECSXBBOVCYGE-AEJSXWLSSA-N 2 2 212.293 0.219 20 0 BCADLP CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400444352 527711414 /nfs/dbraw/zinc/71/14/14/527711414.db2.gz NFZQNCGKVPGMTK-GARJFASQSA-N 2 2 227.352 0.630 20 0 BCADLP CC(C)[C@@H](CO)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000308658710 528482735 /nfs/dbraw/zinc/48/27/35/528482735.db2.gz PDBZRTDKDNOHDZ-GARJFASQSA-N 2 2 200.326 0.543 20 0 BCADLP CC(C)[C@@H](CO)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000308658710 528482740 /nfs/dbraw/zinc/48/27/40/528482740.db2.gz PDBZRTDKDNOHDZ-GARJFASQSA-N 2 2 200.326 0.543 20 0 BCADLP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261541258 535116120 /nfs/dbraw/zinc/11/61/20/535116120.db2.gz BAQJLNJJFCQMGR-SDDRHHMPSA-N 2 2 239.363 0.585 20 0 BCADLP CC(C)[C@](C)(O)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000261551590 535285030 /nfs/dbraw/zinc/28/50/30/535285030.db2.gz MHOJYVCOHYAFMT-JHJVBQTASA-N 2 2 244.379 0.750 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261548593 535434573 /nfs/dbraw/zinc/43/45/73/535434573.db2.gz JSCCFAXUDVMGMN-NEPJUHHUSA-N 2 2 239.363 0.396 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261548593 535434575 /nfs/dbraw/zinc/43/45/75/535434575.db2.gz JSCCFAXUDVMGMN-NEPJUHHUSA-N 2 2 239.363 0.396 20 0 BCADLP CC[NH+]1CCC([N@H+](C)CC(=O)NC2CC2)CC1 ZINC000077249401 535457028 /nfs/dbraw/zinc/45/70/28/535457028.db2.gz JMSDBUSGUVXOIA-UHFFFAOYSA-N 2 2 239.363 0.681 20 0 BCADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NC2CC2)CC1 ZINC000077249401 535457032 /nfs/dbraw/zinc/45/70/32/535457032.db2.gz JMSDBUSGUVXOIA-UHFFFAOYSA-N 2 2 239.363 0.681 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261568680 535626042 /nfs/dbraw/zinc/62/60/42/535626042.db2.gz FTABUSITRWJQPB-DCAQKATOSA-N 2 2 226.320 0.479 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261568680 535626047 /nfs/dbraw/zinc/62/60/47/535626047.db2.gz FTABUSITRWJQPB-DCAQKATOSA-N 2 2 226.320 0.479 20 0 BCADLP CC[N@H+](CCCn1cc[nH+]c1)C[C@@H](C)O ZINC000352200972 535728528 /nfs/dbraw/zinc/72/85/28/535728528.db2.gz CMOUTSLXGQAGCY-LLVKDONJSA-N 2 2 211.309 0.976 20 0 BCADLP CC[N@@H+](CCCn1cc[nH+]c1)C[C@@H](C)O ZINC000352200972 535728530 /nfs/dbraw/zinc/72/85/30/535728530.db2.gz CMOUTSLXGQAGCY-LLVKDONJSA-N 2 2 211.309 0.976 20 0 BCADLP CCn1nccc1C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000164140303 535871877 /nfs/dbraw/zinc/87/18/77/535871877.db2.gz QDCJAFGCUCOLBV-NSHDSACASA-N 2 2 222.336 0.944 20 0 BCADLP CCn1nccc1C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000164140303 535871879 /nfs/dbraw/zinc/87/18/79/535871879.db2.gz QDCJAFGCUCOLBV-NSHDSACASA-N 2 2 222.336 0.944 20 0 BCADLP C[NH+]1CCC(NCC[N@@H+]2CCCOCC2)CC1 ZINC000349384836 536343385 /nfs/dbraw/zinc/34/33/85/536343385.db2.gz PSQIWYHHNXQZCC-UHFFFAOYSA-N 2 2 241.379 0.393 20 0 BCADLP C[NH+]1CCC(NCC[N@H+]2CCCOCC2)CC1 ZINC000349384836 536343386 /nfs/dbraw/zinc/34/33/86/536343386.db2.gz PSQIWYHHNXQZCC-UHFFFAOYSA-N 2 2 241.379 0.393 20 0 BCADLP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262141209 536359475 /nfs/dbraw/zinc/35/94/75/536359475.db2.gz ZEAHGYLJIHUUCQ-BDAKNGLRSA-N 2 2 247.289 0.194 20 0 BCADLP C[NH2+][C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000054936887 536365850 /nfs/dbraw/zinc/36/58/50/536365850.db2.gz CBWWRXRBZROUOV-SNVBAGLBSA-N 2 2 206.293 0.973 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000334374424 536368434 /nfs/dbraw/zinc/36/84/34/536368434.db2.gz CTPADVQBDOTYOE-GFCCVEGCSA-N 2 2 237.347 0.387 20 0 BCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000334374424 536368435 /nfs/dbraw/zinc/36/84/35/536368435.db2.gz CTPADVQBDOTYOE-GFCCVEGCSA-N 2 2 237.347 0.387 20 0 BCADLP C[N@H+](CC[NH3+])Cc1ccccc1N1CCOCC1 ZINC000262694584 536368878 /nfs/dbraw/zinc/36/88/78/536368878.db2.gz AZDNSQMITYZADW-UHFFFAOYSA-N 2 2 249.358 0.914 20 0 BCADLP C[N@@H+](CC[NH3+])Cc1ccccc1N1CCOCC1 ZINC000262694584 536368880 /nfs/dbraw/zinc/36/88/80/536368880.db2.gz AZDNSQMITYZADW-UHFFFAOYSA-N 2 2 249.358 0.914 20 0 BCADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(N)=O)C2)C1 ZINC000334365816 536381583 /nfs/dbraw/zinc/38/15/83/536381583.db2.gz IEWYSUOCNPXDMI-LLVKDONJSA-N 2 2 211.309 0.939 20 0 BCADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC000334365816 536381584 /nfs/dbraw/zinc/38/15/84/536381584.db2.gz IEWYSUOCNPXDMI-LLVKDONJSA-N 2 2 211.309 0.939 20 0 BCADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC000334365816 536381587 /nfs/dbraw/zinc/38/15/87/536381587.db2.gz IEWYSUOCNPXDMI-LLVKDONJSA-N 2 2 211.309 0.939 20 0 BCADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(N)=O)C2)C1 ZINC000334365816 536381580 /nfs/dbraw/zinc/38/15/80/536381580.db2.gz IEWYSUOCNPXDMI-LLVKDONJSA-N 2 2 211.309 0.939 20 0 BCADLP C[NH2+][C@H]1CCCN(Cc2c[nH+]cn2C)C1 ZINC000085170775 536413566 /nfs/dbraw/zinc/41/35/66/536413566.db2.gz ARZXUUVLLNKVHJ-JTQLQIEISA-N 2 2 208.309 0.604 20 0 BCADLP CNC(=O)c1ccc(C[N@H+](C)CC[NH3+])cc1 ZINC000261576345 536420891 /nfs/dbraw/zinc/42/08/91/536420891.db2.gz KHKUMSGZPBSHBF-UHFFFAOYSA-N 2 2 221.304 0.437 20 0 BCADLP CNC(=O)c1ccc(C[N@@H+](C)CC[NH3+])cc1 ZINC000261576345 536420893 /nfs/dbraw/zinc/42/08/93/536420893.db2.gz KHKUMSGZPBSHBF-UHFFFAOYSA-N 2 2 221.304 0.437 20 0 BCADLP COC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220922181 536472630 /nfs/dbraw/zinc/47/26/30/536472630.db2.gz RCEXYVMWIAVOGJ-WDEREUQCSA-N 2 2 226.320 0.576 20 0 BCADLP COC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220922181 536472629 /nfs/dbraw/zinc/47/26/29/536472629.db2.gz RCEXYVMWIAVOGJ-WDEREUQCSA-N 2 2 226.320 0.576 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253192280 536630999 /nfs/dbraw/zinc/63/09/99/536630999.db2.gz MYFVHLZWECWNKV-KXUCPTDWSA-N 2 2 214.309 0.465 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253192280 536631001 /nfs/dbraw/zinc/63/10/01/536631001.db2.gz MYFVHLZWECWNKV-KXUCPTDWSA-N 2 2 214.309 0.465 20 0 BCADLP C[C@H](CO)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000678046223 566333523 /nfs/dbraw/zinc/33/35/23/566333523.db2.gz NELTXWHOAYFKNG-NSHDSACASA-N 2 2 238.335 0.171 20 0 BCADLP Cc1[nH+]cc(C[N@H+](C)CCC(N)=O)n1C ZINC000668149505 566392536 /nfs/dbraw/zinc/39/25/36/566392536.db2.gz YBOGKEHIPVEZPR-UHFFFAOYSA-N 2 2 210.281 0.036 20 0 BCADLP Cc1[nH+]cc(C[N@@H+](C)CCC(N)=O)n1C ZINC000668149505 566392538 /nfs/dbraw/zinc/39/25/38/566392538.db2.gz YBOGKEHIPVEZPR-UHFFFAOYSA-N 2 2 210.281 0.036 20 0 BCADLP O[C@H]1C[C@H]([NH2+]CC[NH+]2CCCC2)C12CCC2 ZINC000852585604 583015083 /nfs/dbraw/zinc/01/50/83/583015083.db2.gz ILJGOMLVAKMUFG-RYUDHWBXSA-N 2 2 224.348 0.975 20 0 BCADLP C[C@H](NCC12CC(C1)C[NH2+]2)c1[nH]cc[nH+]1 ZINC000854226240 588780595 /nfs/dbraw/zinc/78/05/95/588780595.db2.gz GBBHSXHTAXNEPA-SILCLGDVSA-N 2 2 206.293 0.812 20 0 BCADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000854231144 588781399 /nfs/dbraw/zinc/78/13/99/588781399.db2.gz FHQPVMICXMHIJN-PSASIEDQSA-N 2 2 208.309 0.985 20 0 BCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000854605265 588796864 /nfs/dbraw/zinc/79/68/64/588796864.db2.gz JKLVTXAHKRSUHO-CYBMUJFWSA-N 2 2 248.330 0.506 20 0 BCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000854605265 588796865 /nfs/dbraw/zinc/79/68/65/588796865.db2.gz JKLVTXAHKRSUHO-CYBMUJFWSA-N 2 2 248.330 0.506 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000891927710 582739164 /nfs/dbraw/zinc/73/91/64/582739164.db2.gz NOJQPQNAQOKVCS-BBBLOLIVSA-N 2 2 249.318 0.459 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000892015934 582761771 /nfs/dbraw/zinc/76/17/71/582761771.db2.gz RWCKJSOZRBUAKH-VIFPVBQESA-N 2 2 237.307 0.303 20 0 BCADLP C[N@@H+](Cc1cccc(O)c1)C[C@@H]1C[NH2+]CCO1 ZINC000125513741 582825376 /nfs/dbraw/zinc/82/53/76/582825376.db2.gz PGNUSWNKHBMMEC-ZDUSSCGKSA-N 2 2 236.315 0.812 20 0 BCADLP C[N@H+](Cc1cccc(O)c1)C[C@@H]1C[NH2+]CCO1 ZINC000125513741 582825378 /nfs/dbraw/zinc/82/53/78/582825378.db2.gz PGNUSWNKHBMMEC-ZDUSSCGKSA-N 2 2 236.315 0.812 20 0 BCADLP CON(C)CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000850479847 582920184 /nfs/dbraw/zinc/92/01/84/582920184.db2.gz DHTIDHAYQYDINN-UWVGGRQHSA-N 2 2 201.314 0.019 20 0 BCADLP CON(C)CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000850479847 582920185 /nfs/dbraw/zinc/92/01/85/582920185.db2.gz DHTIDHAYQYDINN-UWVGGRQHSA-N 2 2 201.314 0.019 20 0 BCADLP CON(C)CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000850479848 582920249 /nfs/dbraw/zinc/92/02/49/582920249.db2.gz DHTIDHAYQYDINN-VHSXEESVSA-N 2 2 201.314 0.019 20 0 BCADLP CON(C)CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000850479848 582920251 /nfs/dbraw/zinc/92/02/51/582920251.db2.gz DHTIDHAYQYDINN-VHSXEESVSA-N 2 2 201.314 0.019 20 0 BCADLP COCCOC[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000892665834 582945051 /nfs/dbraw/zinc/94/50/51/582945051.db2.gz VOZOVSHXWCPNFT-VXGBXAGGSA-N 2 2 230.352 0.722 20 0 BCADLP COCCOC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000892665834 582945052 /nfs/dbraw/zinc/94/50/52/582945052.db2.gz VOZOVSHXWCPNFT-VXGBXAGGSA-N 2 2 230.352 0.722 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H](CO)CC1CC1 ZINC000394416433 582968737 /nfs/dbraw/zinc/96/87/37/582968737.db2.gz JZGULYCOJWXZQV-USWWRNFRSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H](CO)CC1CC1 ZINC000394416433 582968740 /nfs/dbraw/zinc/96/87/40/582968740.db2.gz JZGULYCOJWXZQV-USWWRNFRSA-N 2 2 212.337 0.687 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2ccccn2)C1 ZINC000853109400 583028534 /nfs/dbraw/zinc/02/85/34/583028534.db2.gz ZXHFGZGIFWFMMF-DGCLKSJQSA-N 2 2 235.331 0.799 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2ccccn2)C1 ZINC000853109400 583028535 /nfs/dbraw/zinc/02/85/35/583028535.db2.gz ZXHFGZGIFWFMMF-DGCLKSJQSA-N 2 2 235.331 0.799 20 0 BCADLP CCn1ncc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000857084695 588886576 /nfs/dbraw/zinc/88/65/76/588886576.db2.gz XWOVINBMRGDXTD-MNOVXSKESA-N 2 2 237.351 0.857 20 0 BCADLP CCn1ncc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000857084695 588886577 /nfs/dbraw/zinc/88/65/77/588886577.db2.gz XWOVINBMRGDXTD-MNOVXSKESA-N 2 2 237.351 0.857 20 0 BCADLP CCn1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)nn1 ZINC000893707008 583207776 /nfs/dbraw/zinc/20/77/76/583207776.db2.gz OARMSPLJXHKGGA-JTQLQIEISA-N 2 2 246.318 0.599 20 0 BCADLP CCn1ncc(C[N@@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000857084065 588886649 /nfs/dbraw/zinc/88/66/49/588886649.db2.gz MYSASCBTNUWOJP-VIFPVBQESA-N 2 2 209.297 0.079 20 0 BCADLP CCn1ncc(C[N@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000857084065 588886650 /nfs/dbraw/zinc/88/66/50/588886650.db2.gz MYSASCBTNUWOJP-VIFPVBQESA-N 2 2 209.297 0.079 20 0 BCADLP O=C(NCC[NH2+]Cc1c[nH+]c[nH]1)c1ccco1 ZINC000894163236 583321580 /nfs/dbraw/zinc/32/15/80/583321580.db2.gz NUAVJVZIFVKWKW-UHFFFAOYSA-N 2 2 234.259 0.522 20 0 BCADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CN3CCC3=O)C2)C1 ZINC000857237837 588900753 /nfs/dbraw/zinc/90/07/53/588900753.db2.gz UZYURUNKOGHDAW-CYBMUJFWSA-N 2 2 237.347 0.594 20 0 BCADLP C[N@H+]1CCC[C@@]2(CC[NH+](CN3CCC3=O)C2)C1 ZINC000857237837 588900754 /nfs/dbraw/zinc/90/07/54/588900754.db2.gz UZYURUNKOGHDAW-CYBMUJFWSA-N 2 2 237.347 0.594 20 0 BCADLP C[NH+]1CCC[C@@]2(CC[N@H+](CN3CCC3=O)C2)C1 ZINC000857237837 588900755 /nfs/dbraw/zinc/90/07/55/588900755.db2.gz UZYURUNKOGHDAW-CYBMUJFWSA-N 2 2 237.347 0.594 20 0 BCADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CN3CCC3=O)C2)C1 ZINC000857237837 588900756 /nfs/dbraw/zinc/90/07/56/588900756.db2.gz UZYURUNKOGHDAW-CYBMUJFWSA-N 2 2 237.347 0.594 20 0 BCADLP C[C@H]([C@H](C)[NH2+]Cc1c[nH+]c[nH]1)N1CCOCC1 ZINC000894245822 583389460 /nfs/dbraw/zinc/38/94/60/583389460.db2.gz DZGBAWWWVLDJPI-WDEREUQCSA-N 2 2 238.335 0.609 20 0 BCADLP C[C@H]1CN(C(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000747985528 583416960 /nfs/dbraw/zinc/41/69/60/583416960.db2.gz JQNYWXMTZJTHGT-NWDGAFQWSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@H]1CN(C(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000747985528 583416961 /nfs/dbraw/zinc/41/69/61/583416961.db2.gz JQNYWXMTZJTHGT-NWDGAFQWSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC000747985528 583416962 /nfs/dbraw/zinc/41/69/62/583416962.db2.gz JQNYWXMTZJTHGT-NWDGAFQWSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000747985528 583416964 /nfs/dbraw/zinc/41/69/64/583416964.db2.gz JQNYWXMTZJTHGT-NWDGAFQWSA-N 2 2 239.363 0.633 20 0 BCADLP O=C1CCN1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000857232555 588897890 /nfs/dbraw/zinc/89/78/90/588897890.db2.gz FKQGDEZETMSUMU-UHFFFAOYSA-N 2 2 234.303 0.710 20 0 BCADLP OC[C@H](C[NH2+]Cc1c[nH+]c[nH]1)Cc1ccco1 ZINC000894338417 583427358 /nfs/dbraw/zinc/42/73/58/583427358.db2.gz CGZYWEBMFTWFSA-JTQLQIEISA-N 2 2 235.287 0.944 20 0 BCADLP CCOC(=O)N1CC[C@@H]([NH2+]Cc2c[nH+]c[nH]2)C1 ZINC000894479649 583470096 /nfs/dbraw/zinc/47/00/96/583470096.db2.gz KAYJNWBWRBUDTQ-SECBINFHSA-N 2 2 238.291 0.730 20 0 BCADLP COC[C@@H](CO)[NH2+]Cc1c(C)cc[nH+]c1N ZINC000894620752 583493446 /nfs/dbraw/zinc/49/34/46/583493446.db2.gz VKMLQXKOSPYREL-SECBINFHSA-N 2 2 225.292 0.069 20 0 BCADLP CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1c[nH+]c[nH]1 ZINC000894691632 583507925 /nfs/dbraw/zinc/50/79/25/583507925.db2.gz ZQJNGSIRFQSKLY-GXSJLCMTSA-N 2 2 241.335 0.657 20 0 BCADLP CC[C@@H]([NH2+]Cc1c(C)cc[nH+]c1N)C(=O)NC ZINC000894949484 583559085 /nfs/dbraw/zinc/55/90/85/583559085.db2.gz MSAODIKGQCLUNI-SNVBAGLBSA-N 2 2 236.319 0.586 20 0 BCADLP O=C1C[C@@H](C[NH2+]Cc2c[nH+]c[nH]2)CN1C1CC1 ZINC000895146917 583605108 /nfs/dbraw/zinc/60/51/08/583605108.db2.gz NFKXQMKBOIFMRB-VIFPVBQESA-N 2 2 234.303 0.510 20 0 BCADLP CCN1C[C@H](C[NH2+]Cc2c[nH+]c[nH]2)CC1=O ZINC000895148824 583605505 /nfs/dbraw/zinc/60/55/05/583605505.db2.gz PNJOARULKYOZDU-VIFPVBQESA-N 2 2 222.292 0.368 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CC(C)=NO2)n1C ZINC000895299867 583641978 /nfs/dbraw/zinc/64/19/78/583641978.db2.gz HLMQSWJCGOHMIE-NSHDSACASA-N 2 2 222.292 0.983 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)n1C ZINC000895325377 583651045 /nfs/dbraw/zinc/65/10/45/583651045.db2.gz PIODSIORNKNGAW-NWDGAFQWSA-N 2 2 239.319 0.046 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)n1C ZINC000895325377 583651046 /nfs/dbraw/zinc/65/10/46/583651046.db2.gz PIODSIORNKNGAW-NWDGAFQWSA-N 2 2 239.319 0.046 20 0 BCADLP C[NH+]1CCC(C[N@@H+]2CCc3n[nH]nc3C2)CC1 ZINC000895473855 583679344 /nfs/dbraw/zinc/67/93/44/583679344.db2.gz SVDPKMUQLCVITF-UHFFFAOYSA-N 2 2 235.335 0.505 20 0 BCADLP C[NH+]1CCC(C[N@H+]2CCc3n[nH]nc3C2)CC1 ZINC000895473855 583679346 /nfs/dbraw/zinc/67/93/46/583679346.db2.gz SVDPKMUQLCVITF-UHFFFAOYSA-N 2 2 235.335 0.505 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)n1C ZINC000895780178 583729233 /nfs/dbraw/zinc/72/92/33/583729233.db2.gz DTABDWIHRQEBPD-UHTWSYAYSA-N 2 2 235.331 0.931 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)n1C ZINC000895780178 583729234 /nfs/dbraw/zinc/72/92/34/583729234.db2.gz DTABDWIHRQEBPD-UHTWSYAYSA-N 2 2 235.331 0.931 20 0 BCADLP C[N@H+](CC(=O)N[C@@H]1CCn2c[nH+]cc21)C1CCC1 ZINC000857977233 588926989 /nfs/dbraw/zinc/92/69/89/588926989.db2.gz SYQKYVNXSKUXIT-LLVKDONJSA-N 2 2 248.330 0.928 20 0 BCADLP C[N@@H+](CC(=O)N[C@@H]1CCn2c[nH+]cc21)C1CCC1 ZINC000857977233 588926991 /nfs/dbraw/zinc/92/69/91/588926991.db2.gz SYQKYVNXSKUXIT-LLVKDONJSA-N 2 2 248.330 0.928 20 0 BCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857979544 588927442 /nfs/dbraw/zinc/92/74/42/588927442.db2.gz CWASPWAEQXVEAA-MNOVXSKESA-N 2 2 248.330 0.928 20 0 BCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857979544 588927444 /nfs/dbraw/zinc/92/74/44/588927444.db2.gz CWASPWAEQXVEAA-MNOVXSKESA-N 2 2 248.330 0.928 20 0 BCADLP CC[N@H+](CC(=O)N[C@@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857981301 588928130 /nfs/dbraw/zinc/92/81/30/588928130.db2.gz ZFZVNZRPSWDOHA-LLVKDONJSA-N 2 2 248.330 0.928 20 0 BCADLP CC[N@@H+](CC(=O)N[C@@H]1CCn2c[nH+]cc21)C1CC1 ZINC000857981301 588928131 /nfs/dbraw/zinc/92/81/31/588928131.db2.gz ZFZVNZRPSWDOHA-LLVKDONJSA-N 2 2 248.330 0.928 20 0 BCADLP CC[C@@H](C(=O)NCc1[nH]c(C)c(C)[nH+]1)[NH+](C)C ZINC000896917574 583856167 /nfs/dbraw/zinc/85/61/67/583856167.db2.gz ZYBUOHFTUPUKDH-JTQLQIEISA-N 2 2 238.335 0.983 20 0 BCADLP Cc1[nH]c(CNC(=O)C[N@H+](C)C(C)C)[nH+]c1C ZINC000896924058 583858763 /nfs/dbraw/zinc/85/87/63/583858763.db2.gz UACCMFYPFVYZHG-UHFFFAOYSA-N 2 2 238.335 0.983 20 0 BCADLP CN1CCN(C(=O)C(C)(C)[NH3+])Cc2ccc[nH+]c21 ZINC000871021301 583934166 /nfs/dbraw/zinc/93/41/66/583934166.db2.gz PWTMNQVQPGBFCT-UHFFFAOYSA-N 2 2 248.330 0.597 20 0 BCADLP CCON(CC)C(=O)C[NH2+]C1CC[NH+](C)CC1 ZINC000858219554 588939082 /nfs/dbraw/zinc/93/90/82/588939082.db2.gz RUTRWPCMRSCFNO-UHFFFAOYSA-N 2 2 243.351 0.470 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](C)CCC(=O)Nc1cccnc1 ZINC000863570376 583992992 /nfs/dbraw/zinc/99/29/92/583992992.db2.gz WGJQWZUOKHFLFB-SNVBAGLBSA-N 2 2 236.319 0.689 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](C)CCC(=O)Nc1cccnc1 ZINC000863570376 583992993 /nfs/dbraw/zinc/99/29/93/583992993.db2.gz WGJQWZUOKHFLFB-SNVBAGLBSA-N 2 2 236.319 0.689 20 0 BCADLP C[C@@H]1C[N@H+](Cc2c[nH+]c3n2CCC3)C[C@@H]1O ZINC000897679409 584037304 /nfs/dbraw/zinc/03/73/04/584037304.db2.gz KDQVMXDUYLHNFB-KOLCDFICSA-N 2 2 221.304 0.642 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2c[nH+]c3n2CCC3)C[C@@H]1O ZINC000897679409 584037305 /nfs/dbraw/zinc/03/73/05/584037305.db2.gz KDQVMXDUYLHNFB-KOLCDFICSA-N 2 2 221.304 0.642 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CC(CCO)C1 ZINC000898008815 584071287 /nfs/dbraw/zinc/07/12/87/584071287.db2.gz VVPDLKHXYICVID-WNYYMSAVSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CC(CCO)C1 ZINC000898008815 584071288 /nfs/dbraw/zinc/07/12/88/584071288.db2.gz VVPDLKHXYICVID-WNYYMSAVSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC[C@@H](O)C1CC1 ZINC000898202986 584090135 /nfs/dbraw/zinc/09/01/35/584090135.db2.gz PCPXRNXLAPJXAY-ADEWGFFLSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC[C@@H](O)C1CC1 ZINC000898202986 584090137 /nfs/dbraw/zinc/09/01/37/584090137.db2.gz PCPXRNXLAPJXAY-ADEWGFFLSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873249914 584128103 /nfs/dbraw/zinc/12/81/03/584128103.db2.gz NJBFRJMLWBJZJZ-WYUUTHIRSA-N 3 2 227.352 0.080 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000858549714 588964573 /nfs/dbraw/zinc/96/45/73/588964573.db2.gz ZTAQQDOEPXFVGM-UPJWGTAASA-N 2 2 224.348 0.831 20 0 BCADLP O[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000858549714 588964574 /nfs/dbraw/zinc/96/45/74/588964574.db2.gz ZTAQQDOEPXFVGM-UPJWGTAASA-N 2 2 224.348 0.831 20 0 BCADLP C[C@H](NC(=[NH2+])NCc1c[nH+]cn1C)C1CC1 ZINC000899273119 584192740 /nfs/dbraw/zinc/19/27/40/584192740.db2.gz WICSXCGVQLCZCD-QMMMGPOBSA-N 2 2 221.308 0.833 20 0 BCADLP C[NH+]1CCC([NH2+]Cc2cn(CCF)nn2)CC1 ZINC000899710391 584227599 /nfs/dbraw/zinc/22/75/99/584227599.db2.gz AGIAUJQGLMGSCK-UHFFFAOYSA-N 2 2 241.314 0.431 20 0 BCADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)N(C)OC)CC1 ZINC000858584303 588969308 /nfs/dbraw/zinc/96/93/08/588969308.db2.gz PLWMDNZZRGYCGO-SNVBAGLBSA-N 2 2 243.351 0.469 20 0 BCADLP CON(C)C(=O)[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000858584092 588969373 /nfs/dbraw/zinc/96/93/73/588969373.db2.gz LUXXDFWFKLLMRG-SECBINFHSA-N 2 2 229.324 0.079 20 0 BCADLP O=C(CNc1cccc[nH+]1)NCC[NH+]1CCCC1 ZINC000900011059 584265912 /nfs/dbraw/zinc/26/59/12/584265912.db2.gz IKRLWADVKMBKGC-UHFFFAOYSA-N 2 2 248.330 0.706 20 0 BCADLP O=C(Cc1c[nH+]c[nH]1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000900216868 584286698 /nfs/dbraw/zinc/28/66/98/584286698.db2.gz YFVAHBPNLVFEIK-RYUDHWBXSA-N 2 2 248.330 0.695 20 0 BCADLP O=C(Cc1c[nH+]c[nH]1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000900216868 584286699 /nfs/dbraw/zinc/28/66/99/584286699.db2.gz YFVAHBPNLVFEIK-RYUDHWBXSA-N 2 2 248.330 0.695 20 0 BCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000900216868 584286701 /nfs/dbraw/zinc/28/67/01/584286701.db2.gz YFVAHBPNLVFEIK-RYUDHWBXSA-N 2 2 248.330 0.695 20 0 BCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000900216868 584286703 /nfs/dbraw/zinc/28/67/03/584286703.db2.gz YFVAHBPNLVFEIK-RYUDHWBXSA-N 2 2 248.330 0.695 20 0 BCADLP Cc1[nH+]ccn1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900301019 584292893 /nfs/dbraw/zinc/29/28/93/584292893.db2.gz IQHCSTPEOOAKMD-UHFFFAOYSA-N 2 2 247.302 0.664 20 0 BCADLP Cc1[nH+]ccn1CCCNC(=O)Cc1c[nH+]c[nH]1 ZINC000900301019 584292894 /nfs/dbraw/zinc/29/28/94/584292894.db2.gz IQHCSTPEOOAKMD-UHFFFAOYSA-N 2 2 247.302 0.664 20 0 BCADLP O=C(Cc1c[nH+]c[nH]1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000900371975 584298499 /nfs/dbraw/zinc/29/84/99/584298499.db2.gz MDQWDXYVFVBHNM-VIFPVBQESA-N 2 2 234.303 0.305 20 0 BCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000900371975 584298502 /nfs/dbraw/zinc/29/85/02/584298502.db2.gz MDQWDXYVFVBHNM-VIFPVBQESA-N 2 2 234.303 0.305 20 0 BCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000900371975 584298505 /nfs/dbraw/zinc/29/85/05/584298505.db2.gz MDQWDXYVFVBHNM-VIFPVBQESA-N 2 2 234.303 0.305 20 0 BCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)C1CC1 ZINC000900543662 584324666 /nfs/dbraw/zinc/32/46/66/584324666.db2.gz PEYDGKZPPMMLHT-VIFPVBQESA-N 2 2 236.319 0.551 20 0 BCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)C1CC1 ZINC000900543662 584324667 /nfs/dbraw/zinc/32/46/67/584324667.db2.gz PEYDGKZPPMMLHT-VIFPVBQESA-N 2 2 236.319 0.551 20 0 BCADLP C[C@@H](CNC(=O)Cc1c[nH+]c[nH]1)[N@H+](C)C1CC1 ZINC000900543662 584324668 /nfs/dbraw/zinc/32/46/68/584324668.db2.gz PEYDGKZPPMMLHT-VIFPVBQESA-N 2 2 236.319 0.551 20 0 BCADLP C[C@@H](CNC(=O)Cc1c[nH+]c[nH]1)[N@@H+](C)C1CC1 ZINC000900543662 584324669 /nfs/dbraw/zinc/32/46/69/584324669.db2.gz PEYDGKZPPMMLHT-VIFPVBQESA-N 2 2 236.319 0.551 20 0 BCADLP Cc1cc(NC(=O)C23CC[NH+](CC2)C3)cc[nH+]1 ZINC000900670786 584339455 /nfs/dbraw/zinc/33/94/55/584339455.db2.gz DSZDENAVCVNOBH-UHFFFAOYSA-N 2 2 231.299 0.846 20 0 BCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCC[N@H+](C)C1 ZINC000900830214 584354989 /nfs/dbraw/zinc/35/49/89/584354989.db2.gz NYFSEYRICHYQHT-NSHDSACASA-N 2 2 236.319 0.505 20 0 BCADLP Cc1[nH]c(CNC(=O)C[NH+]2CCCC2)[nH+]c1C ZINC000900999095 584375178 /nfs/dbraw/zinc/37/51/78/584375178.db2.gz XBRSBOAMQFUOIM-UHFFFAOYSA-N 2 2 236.319 0.739 20 0 BCADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]c[nH]2)C[N@@H+]1C1CC1 ZINC000900995295 584375387 /nfs/dbraw/zinc/37/53/87/584375387.db2.gz KKHXNMVBZMCTGF-MWLCHTKSSA-N 2 2 248.330 0.694 20 0 BCADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]c[nH]2)C[N@H+]1C1CC1 ZINC000900995295 584375388 /nfs/dbraw/zinc/37/53/88/584375388.db2.gz KKHXNMVBZMCTGF-MWLCHTKSSA-N 2 2 248.330 0.694 20 0 BCADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[N@@H+]1C1CC1 ZINC000900995295 584375389 /nfs/dbraw/zinc/37/53/89/584375389.db2.gz KKHXNMVBZMCTGF-MWLCHTKSSA-N 2 2 248.330 0.694 20 0 BCADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[N@H+]1C1CC1 ZINC000900995295 584375390 /nfs/dbraw/zinc/37/53/90/584375390.db2.gz KKHXNMVBZMCTGF-MWLCHTKSSA-N 2 2 248.330 0.694 20 0 BCADLP C[N@@H+]1CC[C@]2(CC[NH+](CN3C[C@@H]4C[C@@H]4C3=O)C2)C1 ZINC000902278740 584550808 /nfs/dbraw/zinc/55/08/08/584550808.db2.gz QPOKXENQOZPLRW-OBJOEFQTSA-N 2 2 249.358 0.450 20 0 BCADLP C[N@H+]1CC[C@]2(CC[NH+](CN3C[C@@H]4C[C@@H]4C3=O)C2)C1 ZINC000902278740 584550810 /nfs/dbraw/zinc/55/08/10/584550810.db2.gz QPOKXENQOZPLRW-OBJOEFQTSA-N 2 2 249.358 0.450 20 0 BCADLP C[NH+]1CC[C@]2(CC[N@H+](CN3C[C@@H]4C[C@@H]4C3=O)C2)C1 ZINC000902278740 584550811 /nfs/dbraw/zinc/55/08/11/584550811.db2.gz QPOKXENQOZPLRW-OBJOEFQTSA-N 2 2 249.358 0.450 20 0 BCADLP C[NH+]1CC[C@]2(CC[N@@H+](CN3C[C@@H]4C[C@@H]4C3=O)C2)C1 ZINC000902278740 584550813 /nfs/dbraw/zinc/55/08/13/584550813.db2.gz QPOKXENQOZPLRW-OBJOEFQTSA-N 2 2 249.358 0.450 20 0 BCADLP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000902407821 584574665 /nfs/dbraw/zinc/57/46/65/584574665.db2.gz VMSQUTPSMOZBRS-GRYCIOLGSA-N 3 2 223.364 0.988 20 0 BCADLP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)C1 ZINC000902394298 584584112 /nfs/dbraw/zinc/58/41/12/584584112.db2.gz UPPZYNJZCZDJJC-RYUDHWBXSA-N 3 2 241.379 0.343 20 0 BCADLP C[N@@H+]1CC[C@H]([NH2+]CC2([NH3+])CC2)[C@@H]2CCC[C@H]21 ZINC000902403597 584587956 /nfs/dbraw/zinc/58/79/56/584587956.db2.gz ADXBKRRBSLLXCP-SDDRHHMPSA-N 3 2 223.364 0.940 20 0 BCADLP C[N@H+]1CC[C@H]([NH2+]CC2([NH3+])CC2)[C@@H]2CCC[C@H]21 ZINC000902403597 584587957 /nfs/dbraw/zinc/58/79/57/584587957.db2.gz ADXBKRRBSLLXCP-SDDRHHMPSA-N 3 2 223.364 0.940 20 0 BCADLP CC[C@@H]([NH2+]CC1([NH3+])CC1)c1cnn(C)c1 ZINC000902415499 584589671 /nfs/dbraw/zinc/58/96/71/584589671.db2.gz GOFAYJNXESGJNJ-SNVBAGLBSA-N 2 2 208.309 0.952 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC2([NH3+])CC2)CN1C1CC1 ZINC000902415583 584589737 /nfs/dbraw/zinc/58/97/37/584589737.db2.gz JILNTKMGHPVPGA-ZJUUUORDSA-N 2 2 209.337 0.693 20 0 BCADLP Cn1ncc2c1CCC[C@@H]2[NH2+]CC1([NH3+])CC1 ZINC000902418717 584591805 /nfs/dbraw/zinc/59/18/05/584591805.db2.gz YRUARZRVJGEXNH-JTQLQIEISA-N 2 2 220.320 0.878 20 0 BCADLP CC[C@@H](COC)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902449194 584605726 /nfs/dbraw/zinc/60/57/26/584605726.db2.gz MHRMMSSGYNCILJ-UWVGGRQHSA-N 2 2 200.326 0.999 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902449924 584606032 /nfs/dbraw/zinc/60/60/32/584606032.db2.gz AKPKWGCCMCNRTL-VPHKHGINSA-N 2 2 222.332 0.750 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902449917 584606329 /nfs/dbraw/zinc/60/63/29/584606329.db2.gz AKPKWGCCMCNRTL-DJZSBQJZSA-N 2 2 222.332 0.750 20 0 BCADLP CO[C@@H]1CCOC[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000902453076 584608292 /nfs/dbraw/zinc/60/82/92/584608292.db2.gz CAZLBHRXKALDMT-IJLUTSLNSA-N 2 2 240.347 0.665 20 0 BCADLP COc1nn(C)cc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000902453658 584608982 /nfs/dbraw/zinc/60/89/82/584608982.db2.gz DMQUSZKUYLKUFS-QMMMGPOBSA-N 2 2 224.308 0.126 20 0 BCADLP COc1nn(C)cc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000902456431 584610240 /nfs/dbraw/zinc/61/02/40/584610240.db2.gz ORQOLCUYZLWTQK-ZJUUUORDSA-N 2 2 224.308 0.398 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902490173 584617160 /nfs/dbraw/zinc/61/71/60/584617160.db2.gz UGVVJMMALKVZPM-ZJUUUORDSA-N 2 2 213.325 0.372 20 0 BCADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C[N@@H+]1C1CC1 ZINC000902490017 584617721 /nfs/dbraw/zinc/61/77/21/584617721.db2.gz QWQYADWYDALIPX-FIQHERPVSA-N 3 2 223.364 0.939 20 0 BCADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C[N@H+]1C1CC1 ZINC000902490017 584617723 /nfs/dbraw/zinc/61/77/23/584617723.db2.gz QWQYADWYDALIPX-FIQHERPVSA-N 3 2 223.364 0.939 20 0 BCADLP C[C@@H](CS(C)(=O)=O)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902485338 584624601 /nfs/dbraw/zinc/62/46/01/584624601.db2.gz ZZGCMANLQFHJML-WDEREUQCSA-N 2 2 248.392 0.541 20 0 BCADLP Cc1ncccc1CC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000902514110 584629453 /nfs/dbraw/zinc/62/94/53/584629453.db2.gz QENMNCXUKSJMLF-ZDUSSCGKSA-N 2 2 235.331 0.511 20 0 BCADLP c1cn(CC[NH2+][C@H]2CCO[C@]23CCOC3)c[nH+]1 ZINC000903057646 584722225 /nfs/dbraw/zinc/72/22/25/584722225.db2.gz JXGFQNVJZKJXBT-RYUDHWBXSA-N 2 2 237.303 0.421 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903082058 584725040 /nfs/dbraw/zinc/72/50/40/584725040.db2.gz XLZGXVILDJAWRZ-AGIUHOORSA-N 2 2 240.347 0.618 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903082058 584725041 /nfs/dbraw/zinc/72/50/41/584725041.db2.gz XLZGXVILDJAWRZ-AGIUHOORSA-N 2 2 240.347 0.618 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CC(CC(N)=O)C1 ZINC000903261818 584740705 /nfs/dbraw/zinc/74/07/05/584740705.db2.gz ZAOHGOZVRLSGKE-SFXRXQKFSA-N 2 2 225.336 0.180 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CC(CC(N)=O)C1 ZINC000903261818 584740706 /nfs/dbraw/zinc/74/07/06/584740706.db2.gz ZAOHGOZVRLSGKE-SFXRXQKFSA-N 2 2 225.336 0.180 20 0 BCADLP C[C@@H]1[C@@H]([NH2+]C2CCN(C=O)CC2)CC[N@@H+]1C ZINC000903300659 584743607 /nfs/dbraw/zinc/74/36/07/584743607.db2.gz KLZMVBVWGLJOAJ-PWSUYJOCSA-N 2 2 225.336 0.289 20 0 BCADLP C[C@@H]1[C@@H]([NH2+]C2CCN(C=O)CC2)CC[N@H+]1C ZINC000903300659 584743609 /nfs/dbraw/zinc/74/36/09/584743609.db2.gz KLZMVBVWGLJOAJ-PWSUYJOCSA-N 2 2 225.336 0.289 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000903425251 584761010 /nfs/dbraw/zinc/76/10/10/584761010.db2.gz YMMGBDUKWSAHDZ-MNOVXSKESA-N 3 2 213.369 0.759 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000903425251 584761011 /nfs/dbraw/zinc/76/10/11/584761011.db2.gz YMMGBDUKWSAHDZ-MNOVXSKESA-N 3 2 213.369 0.759 20 0 BCADLP C[C@@H](c1ncccn1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000903422613 584764399 /nfs/dbraw/zinc/76/43/99/584764399.db2.gz GKJNTRBSKKEGAA-UWVGGRQHSA-N 2 2 206.293 0.818 20 0 BCADLP C[C@@H](c1ncccn1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000903422613 584764401 /nfs/dbraw/zinc/76/44/01/584764401.db2.gz GKJNTRBSKKEGAA-UWVGGRQHSA-N 2 2 206.293 0.818 20 0 BCADLP C[C@H](c1ncccn1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000903422612 584764810 /nfs/dbraw/zinc/76/48/10/584764810.db2.gz GKJNTRBSKKEGAA-NXEZZACHSA-N 2 2 206.293 0.818 20 0 BCADLP C[C@H](c1ncccn1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000903422612 584764812 /nfs/dbraw/zinc/76/48/12/584764812.db2.gz GKJNTRBSKKEGAA-NXEZZACHSA-N 2 2 206.293 0.818 20 0 BCADLP C(C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)OC1CC1 ZINC000903459916 584766500 /nfs/dbraw/zinc/76/65/00/584766500.db2.gz QTDWURGFAXBSRF-LBPRGKRZSA-N 2 2 210.321 0.993 20 0 BCADLP C(C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)OC1CC1 ZINC000903459916 584766501 /nfs/dbraw/zinc/76/65/01/584766501.db2.gz QTDWURGFAXBSRF-LBPRGKRZSA-N 2 2 210.321 0.993 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000903464132 584767206 /nfs/dbraw/zinc/76/72/06/584767206.db2.gz AWLSJNFTNBENKY-MROQNXINSA-N 3 2 223.364 0.655 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000903464132 584767207 /nfs/dbraw/zinc/76/72/07/584767207.db2.gz AWLSJNFTNBENKY-MROQNXINSA-N 3 2 223.364 0.655 20 0 BCADLP CC(F)(F)CCC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000903464086 584767564 /nfs/dbraw/zinc/76/75/64/584767564.db2.gz YULNFHOPRMOQAJ-SECBINFHSA-N 2 2 240.294 0.036 20 0 BCADLP CC(F)(F)CCC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000903464086 584767566 /nfs/dbraw/zinc/76/75/66/584767566.db2.gz YULNFHOPRMOQAJ-SECBINFHSA-N 2 2 240.294 0.036 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903469826 584774643 /nfs/dbraw/zinc/77/46/43/584774643.db2.gz YEPNBYHBXNWLLZ-UWVGGRQHSA-N 2 2 225.336 0.385 20 0 BCADLP O=C1CCCN1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903467877 584774730 /nfs/dbraw/zinc/77/47/30/584774730.db2.gz FKGBHAJYTSSXDO-LLVKDONJSA-N 2 2 237.347 0.483 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C(=O)N(C)C ZINC000903471759 584775222 /nfs/dbraw/zinc/77/52/22/584775222.db2.gz MAAKYPSFADHCJV-UWVGGRQHSA-N 2 2 225.336 0.337 20 0 BCADLP CN1CC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1=O ZINC000903472897 584775911 /nfs/dbraw/zinc/77/59/11/584775911.db2.gz WPTWCIKLUHSVNL-ZJUUUORDSA-N 2 2 223.320 0.091 20 0 BCADLP Cn1c[nH+]cc1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903472266 584776110 /nfs/dbraw/zinc/77/61/10/584776110.db2.gz QJCGIGOTQOTSFG-LBPRGKRZSA-N 3 2 234.347 0.837 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCn2nncc2C1 ZINC000903481921 584778578 /nfs/dbraw/zinc/77/85/78/584778578.db2.gz QJQJYALUZMVGHU-MNOVXSKESA-N 2 2 235.335 0.339 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCn2nncc2C1 ZINC000903481921 584778580 /nfs/dbraw/zinc/77/85/80/584778580.db2.gz QJQJYALUZMVGHU-MNOVXSKESA-N 2 2 235.335 0.339 20 0 BCADLP CC[C@H](C)NC(=O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903465774 584779673 /nfs/dbraw/zinc/77/96/73/584779673.db2.gz MJBSVCCLMCCBDR-QWRGUYRKSA-N 2 2 239.363 0.775 20 0 BCADLP CC(C)NC(=O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903466569 584779986 /nfs/dbraw/zinc/77/99/86/584779986.db2.gz WFJHGIBBRKRRDQ-JTQLQIEISA-N 2 2 225.336 0.385 20 0 BCADLP CCOC(=O)CC[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903557453 584782752 /nfs/dbraw/zinc/78/27/52/584782752.db2.gz OHSDBBALVABBEC-SECBINFHSA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)CC[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903557453 584782753 /nfs/dbraw/zinc/78/27/53/584782753.db2.gz OHSDBBALVABBEC-SECBINFHSA-N 2 2 214.309 0.609 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)NC(C)(C)C ZINC000903576016 584783710 /nfs/dbraw/zinc/78/37/10/584783710.db2.gz YTGMEHMRHOOVSS-NSHDSACASA-N 2 2 241.379 0.975 20 0 BCADLP C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)NC(C)(C)C ZINC000903576016 584783712 /nfs/dbraw/zinc/78/37/12/584783712.db2.gz YTGMEHMRHOOVSS-NSHDSACASA-N 2 2 241.379 0.975 20 0 BCADLP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[NH2+]CC1 ZINC000903713212 584793328 /nfs/dbraw/zinc/79/33/28/584793328.db2.gz IMXNPPGGQFQLOX-STQMWFEESA-N 3 2 239.363 0.050 20 0 BCADLP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[NH2+]CC1 ZINC000903713212 584793330 /nfs/dbraw/zinc/79/33/30/584793330.db2.gz IMXNPPGGQFQLOX-STQMWFEESA-N 3 2 239.363 0.050 20 0 BCADLP [NH3+][C@H]1CC[N@H+](CCOC2CCSCC2)C1 ZINC000903713324 584793482 /nfs/dbraw/zinc/79/34/82/584793482.db2.gz MUPZBWSXNMZSPZ-JTQLQIEISA-N 2 2 230.377 0.932 20 0 BCADLP [NH3+][C@H]1CC[N@@H+](CCOC2CCSCC2)C1 ZINC000903713324 584793483 /nfs/dbraw/zinc/79/34/83/584793483.db2.gz MUPZBWSXNMZSPZ-JTQLQIEISA-N 2 2 230.377 0.932 20 0 BCADLP C[N@H+](C[C@@H]1CCCC[NH2+]C1)C1CC([NH3+])C1 ZINC000903749389 584794922 /nfs/dbraw/zinc/79/49/22/584794922.db2.gz KIGUBBWHNWNPDA-VOMCLLRMSA-N 3 2 211.353 0.798 20 0 BCADLP C[N@@H+](C[C@@H]1CCCC[NH2+]C1)C1CC([NH3+])C1 ZINC000903749389 584794923 /nfs/dbraw/zinc/79/49/23/584794923.db2.gz KIGUBBWHNWNPDA-VOMCLLRMSA-N 3 2 211.353 0.798 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@H]1[NH3+] ZINC000903752698 584795496 /nfs/dbraw/zinc/79/54/96/584795496.db2.gz UGMJRCISYXXQQE-XQHKEYJVSA-N 3 2 239.363 0.034 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@H]1[NH3+] ZINC000903752698 584795498 /nfs/dbraw/zinc/79/54/98/584795498.db2.gz UGMJRCISYXXQQE-XQHKEYJVSA-N 3 2 239.363 0.034 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000903751396 584795530 /nfs/dbraw/zinc/79/55/30/584795530.db2.gz IQBKNBRJFLODJA-MMWGEVLESA-N 2 2 226.320 0.607 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000903751396 584795531 /nfs/dbraw/zinc/79/55/31/584795531.db2.gz IQBKNBRJFLODJA-MMWGEVLESA-N 2 2 226.320 0.607 20 0 BCADLP C[NH2+]CCC[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903760345 584797068 /nfs/dbraw/zinc/79/70/68/584797068.db2.gz FQEOZGDYDJHBMC-GFCCVEGCSA-N 3 2 213.369 0.917 20 0 BCADLP C[NH2+]CCC[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903760345 584797069 /nfs/dbraw/zinc/79/70/69/584797069.db2.gz FQEOZGDYDJHBMC-GFCCVEGCSA-N 3 2 213.369 0.917 20 0 BCADLP Cn1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)n1 ZINC000903761649 584797673 /nfs/dbraw/zinc/79/76/73/584797673.db2.gz YSFZOXFOMZHHQQ-UHFFFAOYSA-N 2 2 220.320 0.748 20 0 BCADLP C1=CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[NH2+]C1 ZINC000903783841 584800138 /nfs/dbraw/zinc/80/01/38/584800138.db2.gz FHZTUFHJOZSSOM-RYUDHWBXSA-N 2 2 223.320 0.131 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903799227 584801571 /nfs/dbraw/zinc/80/15/71/584801571.db2.gz CNFOCWPNAJZVSC-CMPLNLGQSA-N 2 2 225.336 0.278 20 0 BCADLP CN(C)C(=O)C[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903799227 584801573 /nfs/dbraw/zinc/80/15/73/584801573.db2.gz CNFOCWPNAJZVSC-CMPLNLGQSA-N 2 2 225.336 0.278 20 0 BCADLP C[C@@H]1CSCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000903830034 584805400 /nfs/dbraw/zinc/80/54/00/584805400.db2.gz RCXUZQQVBCJVKG-MNOVXSKESA-N 2 2 230.377 0.802 20 0 BCADLP C[C@@H]1CSCCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000903830034 584805401 /nfs/dbraw/zinc/80/54/01/584805401.db2.gz RCXUZQQVBCJVKG-MNOVXSKESA-N 2 2 230.377 0.802 20 0 BCADLP OCC[C@@H]1COCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903830012 584805461 /nfs/dbraw/zinc/80/54/61/584805461.db2.gz QLZDVLNQFYRIFV-CHWSQXEVSA-N 2 2 242.363 0.459 20 0 BCADLP OCC[C@@H]1COCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903830012 584805462 /nfs/dbraw/zinc/80/54/62/584805462.db2.gz QLZDVLNQFYRIFV-CHWSQXEVSA-N 2 2 242.363 0.459 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903852732 584807864 /nfs/dbraw/zinc/80/78/64/584807864.db2.gz ARTMXSKXLVLVDY-JQWIXIFHSA-N 2 2 220.320 0.733 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903852724 584808315 /nfs/dbraw/zinc/80/83/15/584808315.db2.gz ARTMXSKXLVLVDY-CMPLNLGQSA-N 2 2 220.320 0.733 20 0 BCADLP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CC(=O)NC1CC1 ZINC000903850180 584808345 /nfs/dbraw/zinc/80/83/45/584808345.db2.gz LPECNRRWNSEVNM-CABZTGNLSA-N 2 2 223.320 0.078 20 0 BCADLP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CC(=O)NC1CC1 ZINC000903850180 584808346 /nfs/dbraw/zinc/80/83/46/584808346.db2.gz LPECNRRWNSEVNM-CABZTGNLSA-N 2 2 223.320 0.078 20 0 BCADLP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCN1CCOCC1 ZINC000903858514 584811364 /nfs/dbraw/zinc/81/13/64/584811364.db2.gz YOUDWEQCBIAECV-STQMWFEESA-N 2 2 239.363 0.132 20 0 BCADLP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCN1CCOCC1 ZINC000903858514 584811365 /nfs/dbraw/zinc/81/13/65/584811365.db2.gz YOUDWEQCBIAECV-STQMWFEESA-N 2 2 239.363 0.132 20 0 BCADLP [NH3+]C[C@@]12CC[C@H]1CCN2CC[NH+]1CCOCC1 ZINC000903858514 584811366 /nfs/dbraw/zinc/81/13/66/584811366.db2.gz YOUDWEQCBIAECV-STQMWFEESA-N 2 2 239.363 0.132 20 0 BCADLP O=C1CCCN1CC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903863569 584813365 /nfs/dbraw/zinc/81/33/65/584813365.db2.gz CANNFLLBWBKCRD-CYBMUJFWSA-N 2 2 237.347 0.437 20 0 BCADLP O=C1CCCN1CC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903863569 584813366 /nfs/dbraw/zinc/81/33/66/584813366.db2.gz CANNFLLBWBKCRD-CYBMUJFWSA-N 2 2 237.347 0.437 20 0 BCADLP CCOCCOCC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903864714 584813409 /nfs/dbraw/zinc/81/34/09/584813409.db2.gz VZKZRNFIILGTTO-QWHCGFSZSA-N 2 2 242.363 0.853 20 0 BCADLP CCOCCOCC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903864714 584813410 /nfs/dbraw/zinc/81/34/10/584813410.db2.gz VZKZRNFIILGTTO-QWHCGFSZSA-N 2 2 242.363 0.853 20 0 BCADLP CCOCCOCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869620 584814656 /nfs/dbraw/zinc/81/46/56/584814656.db2.gz IYMYGBAJIWTXNR-ZDUSSCGKSA-N 2 2 242.363 0.867 20 0 BCADLP CCOCCOCC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869620 584814657 /nfs/dbraw/zinc/81/46/57/584814657.db2.gz IYMYGBAJIWTXNR-ZDUSSCGKSA-N 2 2 242.363 0.867 20 0 BCADLP [NH3+][C@@H](CC(F)F)C[NH+]1CCC(CO)CC1 ZINC000903880386 584817454 /nfs/dbraw/zinc/81/74/54/584817454.db2.gz RAKKGXBTRPEQAR-VIFPVBQESA-N 2 2 222.279 0.673 20 0 BCADLP C[C@]1(C2CC2)COCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000903881149 584817939 /nfs/dbraw/zinc/81/79/39/584817939.db2.gz FKSHSFIVBGZAKR-QWHCGFSZSA-N 2 2 240.347 0.476 20 0 BCADLP C[C@]1(C2CC2)COCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000903881149 584817941 /nfs/dbraw/zinc/81/79/41/584817941.db2.gz FKSHSFIVBGZAKR-QWHCGFSZSA-N 2 2 240.347 0.476 20 0 BCADLP CC(C)C[N@@H+](CC(N)=O)C[C@@H]([NH3+])CC(F)F ZINC000903884207 584818431 /nfs/dbraw/zinc/81/84/31/584818431.db2.gz UVKAAZCZWAUYDZ-QMMMGPOBSA-N 2 2 237.294 0.412 20 0 BCADLP CC(C)C[N@H+](CC(N)=O)C[C@@H]([NH3+])CC(F)F ZINC000903884207 584818432 /nfs/dbraw/zinc/81/84/32/584818432.db2.gz UVKAAZCZWAUYDZ-QMMMGPOBSA-N 2 2 237.294 0.412 20 0 BCADLP NC(=O)C[C@H]1CCC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903898825 584820508 /nfs/dbraw/zinc/82/05/08/584820508.db2.gz QFAMPDGKANIMRG-RKDXNWHRSA-N 2 2 249.305 0.556 20 0 BCADLP NC(=O)C[C@H]1CCC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903898825 584820509 /nfs/dbraw/zinc/82/05/09/584820509.db2.gz QFAMPDGKANIMRG-RKDXNWHRSA-N 2 2 249.305 0.556 20 0 BCADLP C[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)[C@@H]1CO ZINC000903909736 584821857 /nfs/dbraw/zinc/82/18/57/584821857.db2.gz YFHQNBVOZLWGDL-HRDYMLBCSA-N 2 2 222.279 0.672 20 0 BCADLP CC[N@H+](C[C@@H]([NH3+])CC(F)F)[C@H]1CCNC1=O ZINC000903915314 584822243 /nfs/dbraw/zinc/82/22/43/584822243.db2.gz AMQMYFXMJQDOFX-YUMQZZPRSA-N 2 2 235.278 0.179 20 0 BCADLP CC[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@H]1CCNC1=O ZINC000903915314 584822244 /nfs/dbraw/zinc/82/22/44/584822244.db2.gz AMQMYFXMJQDOFX-YUMQZZPRSA-N 2 2 235.278 0.179 20 0 BCADLP C[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000903913097 584822263 /nfs/dbraw/zinc/82/22/63/584822263.db2.gz LYKWEYSLLHQYRX-BWZBUEFSSA-N 2 2 208.252 0.424 20 0 BCADLP C[C@@H]1C[C@@H](O)C[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000903913097 584822264 /nfs/dbraw/zinc/82/22/64/584822264.db2.gz LYKWEYSLLHQYRX-BWZBUEFSSA-N 2 2 208.252 0.424 20 0 BCADLP C[C@]1(C[NH2+]C[C@@H]([NH3+])CC(F)F)CCC[NH2+]C1 ZINC000903921008 584823312 /nfs/dbraw/zinc/82/33/12/584823312.db2.gz ZLKKEOHGCZSGBK-ONGXEEELSA-N 3 2 235.322 0.948 20 0 BCADLP [NH3+][C@H](C[NH2+][C@@H]1CCCC[C@H]1[NH3+])CC(F)F ZINC000903929994 584824452 /nfs/dbraw/zinc/82/44/52/584824452.db2.gz PRFABNVIJJEVBA-DJLDLDEBSA-N 3 2 221.295 0.828 20 0 BCADLP CCn1nccc1C[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903932304 584825282 /nfs/dbraw/zinc/82/52/82/584825282.db2.gz ALAXQBRGTSBOJH-QMMMGPOBSA-N 2 2 232.278 0.975 20 0 BCADLP COC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@H]1CCCOC1 ZINC000903959511 584827644 /nfs/dbraw/zinc/82/76/44/584827644.db2.gz JDYSCKREDGFTAI-XQQFMLRXSA-N 2 2 242.363 0.770 20 0 BCADLP COC[C@H]([NH2+][C@@H]1CC[NH2+]C1)[C@H]1CCCOC1 ZINC000903960162 584827829 /nfs/dbraw/zinc/82/78/29/584827829.db2.gz YCSQZSOBIWRRGP-TUAOUCFPSA-N 2 2 228.336 0.380 20 0 BCADLP Cn1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)n1 ZINC000903954519 584832143 /nfs/dbraw/zinc/83/21/43/584832143.db2.gz DGFBJGGSLJLOLZ-SECBINFHSA-N 2 2 244.289 0.755 20 0 BCADLP Cc1cn[nH]c1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903967997 584834990 /nfs/dbraw/zinc/83/49/90/584834990.db2.gz OLQRQIGVKULAJY-SCZZXKLOSA-N 2 2 208.309 0.663 20 0 BCADLP Cc1c[nH]nc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903967997 584834992 /nfs/dbraw/zinc/83/49/92/584834992.db2.gz OLQRQIGVKULAJY-SCZZXKLOSA-N 2 2 208.309 0.663 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000904299337 584860408 /nfs/dbraw/zinc/86/04/08/584860408.db2.gz BMOPUGSCLMTAHO-JTQLQIEISA-N 3 2 207.321 0.924 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000904299337 584860409 /nfs/dbraw/zinc/86/04/09/584860409.db2.gz BMOPUGSCLMTAHO-JTQLQIEISA-N 3 2 207.321 0.924 20 0 BCADLP CC[C@@H]1C[N@H+](Cc2ccc(N)nn2)CC[C@H]1[NH3+] ZINC000904302679 584861827 /nfs/dbraw/zinc/86/18/27/584861827.db2.gz YAYMRAUKDYULGP-MWLCHTKSSA-N 2 2 235.335 0.618 20 0 BCADLP CC[C@@H]1C[N@@H+](Cc2ccc(N)nn2)CC[C@H]1[NH3+] ZINC000904302679 584861828 /nfs/dbraw/zinc/86/18/28/584861828.db2.gz YAYMRAUKDYULGP-MWLCHTKSSA-N 2 2 235.335 0.618 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@H+](Cc2ccc(C[NH3+])cc2)CCO1 ZINC000904302387 584861837 /nfs/dbraw/zinc/86/18/37/584861837.db2.gz VENAMICYLXNKHT-SMDDNHRTSA-N 3 2 249.358 0.693 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)CCO1 ZINC000904302387 584861838 /nfs/dbraw/zinc/86/18/38/584861838.db2.gz VENAMICYLXNKHT-SMDDNHRTSA-N 3 2 249.358 0.693 20 0 BCADLP CC[N@H+](CC(=O)N(C)C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904307416 584862881 /nfs/dbraw/zinc/86/28/81/584862881.db2.gz ACEBJLVFMREUEG-ZDUSSCGKSA-N 2 2 241.379 0.786 20 0 BCADLP CC[N@@H+](CC(=O)N(C)C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904307416 584862882 /nfs/dbraw/zinc/86/28/82/584862882.db2.gz ACEBJLVFMREUEG-ZDUSSCGKSA-N 2 2 241.379 0.786 20 0 BCADLP CC(C)(C)CC[C@H]([NH3+])C[N@H+](CCO)CCCO ZINC000904320781 584864220 /nfs/dbraw/zinc/86/42/20/584864220.db2.gz PDBPSVKMZLHZMT-LBPRGKRZSA-N 2 2 246.395 0.817 20 0 BCADLP CC(C)(C)CC[C@H]([NH3+])C[N@@H+](CCO)CCCO ZINC000904320781 584864221 /nfs/dbraw/zinc/86/42/21/584864221.db2.gz PDBPSVKMZLHZMT-LBPRGKRZSA-N 2 2 246.395 0.817 20 0 BCADLP CC(C)(C)CC[C@@H]([NH3+])C[N@H+](CCO)CCCO ZINC000904320780 584864238 /nfs/dbraw/zinc/86/42/38/584864238.db2.gz PDBPSVKMZLHZMT-GFCCVEGCSA-N 2 2 246.395 0.817 20 0 BCADLP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+](CCO)CCCO ZINC000904320780 584864239 /nfs/dbraw/zinc/86/42/39/584864239.db2.gz PDBPSVKMZLHZMT-GFCCVEGCSA-N 2 2 246.395 0.817 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N)nn2)C1 ZINC000904326394 584865340 /nfs/dbraw/zinc/86/53/40/584865340.db2.gz INZRMQGGMXDRCX-NSHDSACASA-N 2 2 249.362 0.832 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N)nn2)C1 ZINC000904326394 584865341 /nfs/dbraw/zinc/86/53/41/584865341.db2.gz INZRMQGGMXDRCX-NSHDSACASA-N 2 2 249.362 0.832 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(N)nn2)C1 ZINC000904326394 584865342 /nfs/dbraw/zinc/86/53/42/584865342.db2.gz INZRMQGGMXDRCX-NSHDSACASA-N 2 2 249.362 0.832 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(N)nn2)C1 ZINC000904326394 584865343 /nfs/dbraw/zinc/86/53/43/584865343.db2.gz INZRMQGGMXDRCX-NSHDSACASA-N 2 2 249.362 0.832 20 0 BCADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(N)nn2)CC1 ZINC000904340115 584866831 /nfs/dbraw/zinc/86/68/31/584866831.db2.gz CXXSYRSRFVIJSS-LBPRGKRZSA-N 2 2 249.362 0.975 20 0 BCADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(N)nn2)CC1 ZINC000904340115 584866832 /nfs/dbraw/zinc/86/68/32/584866832.db2.gz CXXSYRSRFVIJSS-LBPRGKRZSA-N 2 2 249.362 0.975 20 0 BCADLP Nc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)nn1 ZINC000904350299 584868878 /nfs/dbraw/zinc/86/88/78/584868878.db2.gz KLXMXGABZPEBCX-GXSJLCMTSA-N 2 2 233.319 0.243 20 0 BCADLP Nc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)nn1 ZINC000904350299 584868879 /nfs/dbraw/zinc/86/88/79/584868879.db2.gz KLXMXGABZPEBCX-GXSJLCMTSA-N 2 2 233.319 0.243 20 0 BCADLP Nc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)nn1 ZINC000904350282 584869088 /nfs/dbraw/zinc/86/90/88/584869088.db2.gz JZBBJCSZJZQBLT-CYBMUJFWSA-N 2 2 247.346 0.634 20 0 BCADLP Nc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)nn1 ZINC000904350282 584869089 /nfs/dbraw/zinc/86/90/89/584869089.db2.gz JZBBJCSZJZQBLT-CYBMUJFWSA-N 2 2 247.346 0.634 20 0 BCADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(N)nn1 ZINC000904350658 584869101 /nfs/dbraw/zinc/86/91/01/584869101.db2.gz OJGVFYRBLQSGMX-VIFPVBQESA-N 2 2 209.297 0.132 20 0 BCADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(N)nn1 ZINC000904351282 584869341 /nfs/dbraw/zinc/86/93/41/584869341.db2.gz WTANJVKPTWJLDP-VIFPVBQESA-N 2 2 223.324 0.666 20 0 BCADLP C[C@@]1(C[N@@H+]2CC[C@](F)(CO)C2)CCC[NH2+]C1 ZINC000904351510 584869500 /nfs/dbraw/zinc/86/95/00/584869500.db2.gz XGBUXWUZTJECEV-VXGBXAGGSA-N 2 2 230.327 0.782 20 0 BCADLP C[C@@]1(C[N@H+]2CC[C@](F)(CO)C2)CCC[NH2+]C1 ZINC000904351510 584869502 /nfs/dbraw/zinc/86/95/02/584869502.db2.gz XGBUXWUZTJECEV-VXGBXAGGSA-N 2 2 230.327 0.782 20 0 BCADLP C[C@]1(C[N@@H+]2CC[C@](F)(CO)C2)CCC[NH2+]C1 ZINC000904351507 584869607 /nfs/dbraw/zinc/86/96/07/584869607.db2.gz XGBUXWUZTJECEV-NWDGAFQWSA-N 2 2 230.327 0.782 20 0 BCADLP C[C@]1(C[N@H+]2CC[C@](F)(CO)C2)CCC[NH2+]C1 ZINC000904351507 584869608 /nfs/dbraw/zinc/86/96/08/584869608.db2.gz XGBUXWUZTJECEV-NWDGAFQWSA-N 2 2 230.327 0.782 20 0 BCADLP [NH3+]CC(F)(F)CNCc1[nH+]ccn1C1CC1 ZINC000904354933 584871009 /nfs/dbraw/zinc/87/10/09/584871009.db2.gz HHOOTLOMAXRANB-UHFFFAOYSA-N 2 2 230.262 0.902 20 0 BCADLP C[C@@H](C[NH3+])[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000904356733 584871147 /nfs/dbraw/zinc/87/11/47/584871147.db2.gz ZFTMFNOFPJICPN-JTQLQIEISA-N 2 2 235.331 0.825 20 0 BCADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N)nn1 ZINC000904356022 584871501 /nfs/dbraw/zinc/87/15/01/584871501.db2.gz ZUYKOPCSEMKPKA-JTQLQIEISA-N 2 2 235.335 0.537 20 0 BCADLP Nc1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)nn1 ZINC000904358969 584872402 /nfs/dbraw/zinc/87/24/02/584872402.db2.gz VQTYCZWMEROIEV-LLVKDONJSA-N 2 2 235.335 0.666 20 0 BCADLP [NH3+][C@H]1C[C@@H](C[NH2+]CCCn2cc[nH+]c2)C1 ZINC000904367999 584872915 /nfs/dbraw/zinc/87/29/15/584872915.db2.gz MQGDWKUZPGOZNT-PHIMTYICSA-N 3 2 208.309 0.600 20 0 BCADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904378449 584876331 /nfs/dbraw/zinc/87/63/31/584876331.db2.gz CXYQROWXGVNSIN-JTQLQIEISA-N 3 2 207.321 0.843 20 0 BCADLP [NH3+]Cc1ccc(C[N@@H+]2CCC[C@]([NH3+])(CO)C2)cc1 ZINC000904407270 584879036 /nfs/dbraw/zinc/87/90/36/584879036.db2.gz RVHDDJKNOOFQAA-CQSZACIVSA-N 3 2 249.358 0.431 20 0 BCADLP [NH3+]Cc1ccc(C[N@H+]2CCC[C@]([NH3+])(CO)C2)cc1 ZINC000904407270 584879037 /nfs/dbraw/zinc/87/90/37/584879037.db2.gz RVHDDJKNOOFQAA-CQSZACIVSA-N 3 2 249.358 0.431 20 0 BCADLP Cn1ccc(C[N@@H+]2CCC[C@@]([NH3+])(CO)C2)c1 ZINC000904407170 584879357 /nfs/dbraw/zinc/87/93/57/584879357.db2.gz OZQITVLPCZXUDH-LBPRGKRZSA-N 2 2 223.320 0.311 20 0 BCADLP Cn1ccc(C[N@H+]2CCC[C@@]([NH3+])(CO)C2)c1 ZINC000904407170 584879358 /nfs/dbraw/zinc/87/93/58/584879358.db2.gz OZQITVLPCZXUDH-LBPRGKRZSA-N 2 2 223.320 0.311 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000904398474 584880526 /nfs/dbraw/zinc/88/05/26/584880526.db2.gz PZURCGXQIDULEZ-MGCOHNPYSA-N 2 2 234.303 0.671 20 0 BCADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CNOC2)s1 ZINC000904424172 584881000 /nfs/dbraw/zinc/88/10/00/584881000.db2.gz OVFWSQUSCCXXJA-QMMMGPOBSA-N 2 2 242.348 0.198 20 0 BCADLP Cn1ncc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)n1 ZINC000842474281 584897856 /nfs/dbraw/zinc/89/78/56/584897856.db2.gz MDKSRCBFHMVAKO-AAEUAGOBSA-N 2 2 249.362 0.779 20 0 BCADLP Cn1ncc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)n1 ZINC000842474281 584897858 /nfs/dbraw/zinc/89/78/58/584897858.db2.gz MDKSRCBFHMVAKO-AAEUAGOBSA-N 2 2 249.362 0.779 20 0 BCADLP CC(=O)NCCC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000731032647 584921475 /nfs/dbraw/zinc/92/14/75/584921475.db2.gz DZKFPMVXFBRHNI-CYBMUJFWSA-N 2 2 241.379 0.975 20 0 BCADLP CC(=O)NCCC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000731032647 584921476 /nfs/dbraw/zinc/92/14/76/584921476.db2.gz DZKFPMVXFBRHNI-CYBMUJFWSA-N 2 2 241.379 0.975 20 0 BCADLP C[C@H]1CC(=O)N(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000738227704 585041939 /nfs/dbraw/zinc/04/19/39/585041939.db2.gz OLURWBURPRZMEO-RYUDHWBXSA-N 2 2 239.363 0.696 20 0 BCADLP C[C@H]1CC(=O)N(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000738227704 585041940 /nfs/dbraw/zinc/04/19/40/585041940.db2.gz OLURWBURPRZMEO-RYUDHWBXSA-N 2 2 239.363 0.696 20 0 BCADLP C[C@@H]1CN(C)C(=O)C[N@@H+]1CCc1c[nH+]cn1C ZINC000838959385 585080627 /nfs/dbraw/zinc/08/06/27/585080627.db2.gz COAIKGLNBWVWJM-SNVBAGLBSA-N 2 2 236.319 0.125 20 0 BCADLP C[C@@H]1CN(C)C(=O)C[N@H+]1CCc1c[nH+]cn1C ZINC000838959385 585080628 /nfs/dbraw/zinc/08/06/28/585080628.db2.gz COAIKGLNBWVWJM-SNVBAGLBSA-N 2 2 236.319 0.125 20 0 BCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839201507 585099626 /nfs/dbraw/zinc/09/96/26/585099626.db2.gz MOHGJSWBIJAYSD-TUAOUCFPSA-N 2 2 242.388 0.633 20 0 BCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839201507 585099627 /nfs/dbraw/zinc/09/96/27/585099627.db2.gz MOHGJSWBIJAYSD-TUAOUCFPSA-N 2 2 242.388 0.633 20 0 BCADLP Cn1c[nH+]cc1CNC(=O)C1([NH+](C)C)CCC1 ZINC000752950092 585251616 /nfs/dbraw/zinc/25/16/16/585251616.db2.gz FCTNZDFNVNICFC-UHFFFAOYSA-N 2 2 236.319 0.521 20 0 BCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)OCCF ZINC000859220236 589020728 /nfs/dbraw/zinc/02/07/28/589020728.db2.gz NXJUWJRRHJYNHY-UHFFFAOYSA-N 2 2 249.330 0.566 20 0 BCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)OCCF ZINC000859220236 589020729 /nfs/dbraw/zinc/02/07/29/589020729.db2.gz NXJUWJRRHJYNHY-UHFFFAOYSA-N 2 2 249.330 0.566 20 0 BCADLP [NH3+][C@H]1CCN(Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000843046729 585330873 /nfs/dbraw/zinc/33/08/73/585330873.db2.gz ABOQJQRADCPVSV-LBPRGKRZSA-N 2 2 243.314 0.800 20 0 BCADLP CON(C)C(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000759977355 585383664 /nfs/dbraw/zinc/38/36/64/585383664.db2.gz PFLZBEBHUFGELN-LLVKDONJSA-N 2 2 243.351 0.422 20 0 BCADLP CON(C)C(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000759977355 585383665 /nfs/dbraw/zinc/38/36/65/585383665.db2.gz PFLZBEBHUFGELN-LLVKDONJSA-N 2 2 243.351 0.422 20 0 BCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCNC(=O)C1 ZINC000760830466 585398232 /nfs/dbraw/zinc/39/82/32/585398232.db2.gz GZQJZQZTEOQILO-GFCCVEGCSA-N 2 2 239.363 0.683 20 0 BCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCNC(=O)C1 ZINC000760830466 585398233 /nfs/dbraw/zinc/39/82/33/585398233.db2.gz GZQJZQZTEOQILO-GFCCVEGCSA-N 2 2 239.363 0.683 20 0 BCADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCNC(=O)C1 ZINC000760830466 585398234 /nfs/dbraw/zinc/39/82/34/585398234.db2.gz GZQJZQZTEOQILO-GFCCVEGCSA-N 2 2 239.363 0.683 20 0 BCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCCNC(=O)C1 ZINC000760830466 585398235 /nfs/dbraw/zinc/39/82/35/585398235.db2.gz GZQJZQZTEOQILO-GFCCVEGCSA-N 2 2 239.363 0.683 20 0 BCADLP C[NH+](C)C1(C(=O)NCCn2cc[nH+]c2)CCC1 ZINC000763024563 585441645 /nfs/dbraw/zinc/44/16/45/585441645.db2.gz KRJYOIJLEUCTHV-UHFFFAOYSA-N 2 2 236.319 0.484 20 0 BCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000764374328 585464213 /nfs/dbraw/zinc/46/42/13/585464213.db2.gz BJGUOUAROFOKLA-SNVBAGLBSA-N 2 2 222.292 0.046 20 0 BCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC000764374328 585464214 /nfs/dbraw/zinc/46/42/14/585464214.db2.gz BJGUOUAROFOKLA-SNVBAGLBSA-N 2 2 222.292 0.046 20 0 BCADLP C[C@H]1CN(CCn2cc[nH+]c2)CC[N@@H+]1C ZINC000766249784 585499792 /nfs/dbraw/zinc/49/97/92/585499792.db2.gz QHXILOYPJBZTMO-NSHDSACASA-N 2 2 208.309 0.519 20 0 BCADLP C[C@H]1CN(CCn2cc[nH+]c2)CC[N@H+]1C ZINC000766249784 585499793 /nfs/dbraw/zinc/49/97/93/585499793.db2.gz QHXILOYPJBZTMO-NSHDSACASA-N 2 2 208.309 0.519 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000769414764 585556034 /nfs/dbraw/zinc/55/60/34/585556034.db2.gz JTISEBVCIZGLEE-CHWSQXEVSA-N 2 2 244.379 0.705 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000769414764 585556035 /nfs/dbraw/zinc/55/60/35/585556035.db2.gz JTISEBVCIZGLEE-CHWSQXEVSA-N 2 2 244.379 0.705 20 0 BCADLP C[NH+](C)C1(C[NH2+]C2CCN(C=O)CC2)CCC1 ZINC000774366726 585656952 /nfs/dbraw/zinc/65/69/52/585656952.db2.gz HQHVBBILFZGPNI-UHFFFAOYSA-N 2 2 239.363 0.681 20 0 BCADLP CN(CCF)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000774730272 585664437 /nfs/dbraw/zinc/66/44/37/585664437.db2.gz OMFQBTAIHYVXBG-UHFFFAOYSA-N 2 2 231.359 0.914 20 0 BCADLP CN(CCF)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000774730272 585664438 /nfs/dbraw/zinc/66/44/38/585664438.db2.gz OMFQBTAIHYVXBG-UHFFFAOYSA-N 2 2 231.359 0.914 20 0 BCADLP CN(CC[N@H+](C)CCF)C1CC[NH+](C)CC1 ZINC000774730272 585664439 /nfs/dbraw/zinc/66/44/39/585664439.db2.gz OMFQBTAIHYVXBG-UHFFFAOYSA-N 2 2 231.359 0.914 20 0 BCADLP CN(CC[N@@H+](C)CCF)C1CC[NH+](C)CC1 ZINC000774730272 585664440 /nfs/dbraw/zinc/66/44/40/585664440.db2.gz OMFQBTAIHYVXBG-UHFFFAOYSA-N 2 2 231.359 0.914 20 0 BCADLP C[C@@H]1CCOCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000775567386 585679733 /nfs/dbraw/zinc/67/97/33/585679733.db2.gz HCNAULUZJKIQMF-OLZOCXBDSA-N 2 2 242.363 0.554 20 0 BCADLP C[C@@H]1CCOCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000775567386 585679734 /nfs/dbraw/zinc/67/97/34/585679734.db2.gz HCNAULUZJKIQMF-OLZOCXBDSA-N 2 2 242.363 0.554 20 0 BCADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cn2cnnc2)C1 ZINC000776760876 585704981 /nfs/dbraw/zinc/70/49/81/585704981.db2.gz WTSNAMWUAJADRR-LBPRGKRZSA-N 2 2 237.351 0.899 20 0 BCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cn2cnnc2)C1 ZINC000776760876 585704982 /nfs/dbraw/zinc/70/49/82/585704982.db2.gz WTSNAMWUAJADRR-LBPRGKRZSA-N 2 2 237.351 0.899 20 0 BCADLP C(C1OCCO1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000777589800 585716540 /nfs/dbraw/zinc/71/65/40/585716540.db2.gz UMHCXSPSJUMQIP-LBPRGKRZSA-N 2 2 240.347 0.777 20 0 BCADLP C(C1OCCO1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000777589800 585716541 /nfs/dbraw/zinc/71/65/41/585716541.db2.gz UMHCXSPSJUMQIP-LBPRGKRZSA-N 2 2 240.347 0.777 20 0 BCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCO ZINC000779401610 585753337 /nfs/dbraw/zinc/75/33/37/585753337.db2.gz WVULQQGFWHAVNK-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCO ZINC000779401610 585753338 /nfs/dbraw/zinc/75/33/38/585753338.db2.gz WVULQQGFWHAVNK-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP C[C@@H](CCO)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000779406329 585753552 /nfs/dbraw/zinc/75/35/52/585753552.db2.gz WFHDRUBMVSCHOL-UWVGGRQHSA-N 2 2 200.326 0.830 20 0 BCADLP C[C@@H](CCO)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000779406329 585753553 /nfs/dbraw/zinc/75/35/53/585753553.db2.gz WFHDRUBMVSCHOL-UWVGGRQHSA-N 2 2 200.326 0.830 20 0 BCADLP O=CN1CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000781560180 585798634 /nfs/dbraw/zinc/79/86/34/585798634.db2.gz SGAMKHFWVLPKJD-UHFFFAOYSA-N 2 2 222.292 0.047 20 0 BCADLP O=CN1CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000781560180 585798635 /nfs/dbraw/zinc/79/86/35/585798635.db2.gz SGAMKHFWVLPKJD-UHFFFAOYSA-N 2 2 222.292 0.047 20 0 BCADLP NC(=O)[C@H]1CCCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000782534803 585819475 /nfs/dbraw/zinc/81/94/75/585819475.db2.gz IEXJNCGLTYRFDJ-NWDGAFQWSA-N 2 2 239.363 0.716 20 0 BCADLP O=C(NCc1c[nH+]c[nH]1)C1CC[NH+](C2CC2)CC1 ZINC000787387521 585908603 /nfs/dbraw/zinc/90/86/03/585908603.db2.gz ZTCNKXGYOQOPGW-UHFFFAOYSA-N 2 2 248.330 0.900 20 0 BCADLP O=C(NCc1c[nH]c[nH+]1)C1CC[NH+](C2CC2)CC1 ZINC000787387521 585908604 /nfs/dbraw/zinc/90/86/04/585908604.db2.gz ZTCNKXGYOQOPGW-UHFFFAOYSA-N 2 2 248.330 0.900 20 0 BCADLP C[NH+]1CCC(C[NH+]2CCS(=O)CC2)CC1 ZINC000788480937 585925175 /nfs/dbraw/zinc/92/51/75/585925175.db2.gz CRKQCDSLXUSRRW-UHFFFAOYSA-N 2 2 230.377 0.393 20 0 BCADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000793576191 586023223 /nfs/dbraw/zinc/02/32/23/586023223.db2.gz YPKADUPNSGHNDS-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000793576191 586023224 /nfs/dbraw/zinc/02/32/24/586023224.db2.gz YPKADUPNSGHNDS-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1C ZINC000793576191 586023225 /nfs/dbraw/zinc/02/32/25/586023225.db2.gz YPKADUPNSGHNDS-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP OCC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)C1CCOCC1 ZINC000796457775 586104032 /nfs/dbraw/zinc/10/40/32/586104032.db2.gz ZYXSUDXDLIUUNY-GFCCVEGCSA-N 2 2 239.319 0.677 20 0 BCADLP C[S@@](=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000798197458 586140357 /nfs/dbraw/zinc/14/03/57/586140357.db2.gz SYWBLAYVXZMAIK-BLLLJJGKSA-N 2 2 244.404 0.783 20 0 BCADLP C[S@@](=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000798197458 586140358 /nfs/dbraw/zinc/14/03/58/586140358.db2.gz SYWBLAYVXZMAIK-BLLLJJGKSA-N 2 2 244.404 0.783 20 0 BCADLP [NH3+]CCc1noc(Cc2cn3ccccc3[nH+]2)n1 ZINC000843129753 586418366 /nfs/dbraw/zinc/41/83/66/586418366.db2.gz UMJSJYYKZRFNTF-UHFFFAOYSA-N 2 2 243.270 0.809 20 0 BCADLP COCCC[N@H+](C)CCNCc1cn(C)c[nH+]1 ZINC000808390731 586470628 /nfs/dbraw/zinc/47/06/28/586470628.db2.gz BEQNHBUUCLSFKV-UHFFFAOYSA-N 2 2 240.351 0.478 20 0 BCADLP COCCC[N@@H+](C)CCNCc1cn(C)c[nH+]1 ZINC000808390731 586470630 /nfs/dbraw/zinc/47/06/30/586470630.db2.gz BEQNHBUUCLSFKV-UHFFFAOYSA-N 2 2 240.351 0.478 20 0 BCADLP Cn1nncc1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000808437042 586472514 /nfs/dbraw/zinc/47/25/14/586472514.db2.gz XASIJIJNGXXGGV-UHFFFAOYSA-N 2 2 242.286 0.753 20 0 BCADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC000815122785 586668307 /nfs/dbraw/zinc/66/83/07/586668307.db2.gz RMZWCAYZNKSQHP-NSHDSACASA-N 2 2 237.351 0.637 20 0 BCADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC000815122785 586668309 /nfs/dbraw/zinc/66/83/09/586668309.db2.gz RMZWCAYZNKSQHP-NSHDSACASA-N 2 2 237.351 0.637 20 0 BCADLP Cn1ncc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000815140533 586669338 /nfs/dbraw/zinc/66/93/38/586669338.db2.gz AJULOUFDKLIHLT-QMMMGPOBSA-N 2 2 232.291 0.185 20 0 BCADLP Cn1ncc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000815140533 586669339 /nfs/dbraw/zinc/66/93/39/586669339.db2.gz AJULOUFDKLIHLT-QMMMGPOBSA-N 2 2 232.291 0.185 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCc1cnn(C)n1 ZINC000815144679 586669370 /nfs/dbraw/zinc/66/93/70/586669370.db2.gz HVRFRTQXBANEKL-CMPLNLGQSA-N 2 2 237.351 0.287 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCc1cnn(C)n1 ZINC000815144679 586669371 /nfs/dbraw/zinc/66/93/71/586669371.db2.gz HVRFRTQXBANEKL-CMPLNLGQSA-N 2 2 237.351 0.287 20 0 BCADLP CC[NH+](CC)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000816840380 586767427 /nfs/dbraw/zinc/76/74/27/586767427.db2.gz MJXCZNADMZADDJ-UHFFFAOYSA-N 2 2 224.308 0.410 20 0 BCADLP CC(C)[NH+]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000816857875 586768052 /nfs/dbraw/zinc/76/80/52/586768052.db2.gz UCKKNKJBXDOMTD-UHFFFAOYSA-N 2 2 236.319 0.505 20 0 BCADLP C[N@@H+]1CC[C@H](N[C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000817890680 586832499 /nfs/dbraw/zinc/83/24/99/586832499.db2.gz WZCZSSFKHPNRLA-YNEHKIRRSA-N 2 2 239.363 0.047 20 0 BCADLP C[N@H+]1CC[C@H](N[C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000817890680 586832501 /nfs/dbraw/zinc/83/25/01/586832501.db2.gz WZCZSSFKHPNRLA-YNEHKIRRSA-N 2 2 239.363 0.047 20 0 BCADLP CN1CC[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000817890680 586832502 /nfs/dbraw/zinc/83/25/02/586832502.db2.gz WZCZSSFKHPNRLA-YNEHKIRRSA-N 2 2 239.363 0.047 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H](O)c1ccco1 ZINC000817913603 586839575 /nfs/dbraw/zinc/83/95/75/586839575.db2.gz LCTTYOPNNCWUOQ-VWYCJHECSA-N 2 2 224.304 0.901 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)C1CC1 ZINC000818959769 586918039 /nfs/dbraw/zinc/91/80/39/586918039.db2.gz SPQPBDRCTHMJBA-ONGXEEELSA-N 2 2 209.293 0.632 20 0 BCADLP CON(C)C(=O)CC[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000819010177 586923514 /nfs/dbraw/zinc/92/35/14/586923514.db2.gz BLYQLDFZJTWDSJ-JTQLQIEISA-N 2 2 243.351 0.469 20 0 BCADLP CON(C)C(=O)CC[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000819010177 586923516 /nfs/dbraw/zinc/92/35/16/586923516.db2.gz BLYQLDFZJTWDSJ-JTQLQIEISA-N 2 2 243.351 0.469 20 0 BCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)C1CC1 ZINC000819018248 586924559 /nfs/dbraw/zinc/92/45/59/586924559.db2.gz RKPHFNUZCSFPDF-STQMWFEESA-N 2 2 242.363 0.458 20 0 BCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)C1CC1 ZINC000819018248 586924560 /nfs/dbraw/zinc/92/45/60/586924560.db2.gz RKPHFNUZCSFPDF-STQMWFEESA-N 2 2 242.363 0.458 20 0 BCADLP CCCC[N@H+](C)CC[NH2+]CCC(=O)N(C)OC ZINC000819056488 586928298 /nfs/dbraw/zinc/92/82/98/586928298.db2.gz LZZHWQUQTYZZHH-UHFFFAOYSA-N 2 2 245.367 0.718 20 0 BCADLP CCCC[N@@H+](C)CC[NH2+]CCC(=O)N(C)OC ZINC000819056488 586928300 /nfs/dbraw/zinc/92/83/00/586928300.db2.gz LZZHWQUQTYZZHH-UHFFFAOYSA-N 2 2 245.367 0.718 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cccnc2)C1 ZINC000819367508 586957923 /nfs/dbraw/zinc/95/79/23/586957923.db2.gz HYXXCURHMKGZOX-QWHCGFSZSA-N 2 2 235.331 0.799 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cccnc2)C1 ZINC000819367508 586957925 /nfs/dbraw/zinc/95/79/25/586957925.db2.gz HYXXCURHMKGZOX-QWHCGFSZSA-N 2 2 235.331 0.799 20 0 BCADLP C[NH+](C)C1CC(NC(=O)CCn2cc[nH+]c2)C1 ZINC000819679319 586984830 /nfs/dbraw/zinc/98/48/30/586984830.db2.gz BIANQJIOSCQSJA-UHFFFAOYSA-N 2 2 236.319 0.482 20 0 BCADLP C[C@H](C(=O)N1CC[N@H+](C)[C@H](C)C1)[NH+](C)C ZINC000820295625 587041985 /nfs/dbraw/zinc/04/19/85/587041985.db2.gz MGPKINPEVCEHMA-NXEZZACHSA-N 2 2 213.325 0.099 20 0 BCADLP C[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000820295625 587041988 /nfs/dbraw/zinc/04/19/88/587041988.db2.gz MGPKINPEVCEHMA-NXEZZACHSA-N 2 2 213.325 0.099 20 0 BCADLP C[C@@H]1[NH2+]CC[C@@H]1c1nc(Cc2c[nH+]cn2C)no1 ZINC000822891076 587191616 /nfs/dbraw/zinc/19/16/16/587191616.db2.gz FKAGSUMKHMMNHT-WPRPVWTQSA-N 2 2 247.302 0.859 20 0 BCADLP C[C@@H](NC(=O)C[NH+]1CCCC1)c1[nH]cc[nH+]1 ZINC000823085666 587202104 /nfs/dbraw/zinc/20/21/04/587202104.db2.gz SOYSDLBLMUGWIT-SECBINFHSA-N 2 2 222.292 0.683 20 0 BCADLP C[C@@H](C(=O)N[C@@H]1CCn2cc[nH+]c21)[NH+](C)C ZINC000823237213 587210543 /nfs/dbraw/zinc/21/05/43/587210543.db2.gz PJJNUHNRZKDRNK-DTWKUNHWSA-N 2 2 222.292 0.394 20 0 BCADLP C[C@@H]1C[NH+]=C(NC(=O)C[C@@H]2CC[N@H+](C)C2)S1 ZINC000823807066 587241268 /nfs/dbraw/zinc/24/12/68/587241268.db2.gz PPCYAXMEASEUNW-BDAKNGLRSA-N 2 2 241.360 0.936 20 0 BCADLP C[C@@H]1C[NH+]=C(NC(=O)C[C@@H]2CC[N@@H+](C)C2)S1 ZINC000823807066 587241270 /nfs/dbraw/zinc/24/12/70/587241270.db2.gz PPCYAXMEASEUNW-BDAKNGLRSA-N 2 2 241.360 0.936 20 0 BCADLP C[C@H]([NH3+])C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000827463609 587382193 /nfs/dbraw/zinc/38/21/93/587382193.db2.gz FDPRXUNUZCOXLA-VIFPVBQESA-N 2 2 245.286 0.231 20 0 BCADLP C[S@@](=O)CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000827877235 587406693 /nfs/dbraw/zinc/40/66/93/587406693.db2.gz QOXDOIXCWWRDAZ-MEDUHNTESA-N 2 2 241.360 0.899 20 0 BCADLP C[S@@](=O)CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000827877235 587406694 /nfs/dbraw/zinc/40/66/94/587406694.db2.gz QOXDOIXCWWRDAZ-MEDUHNTESA-N 2 2 241.360 0.899 20 0 BCADLP COc1c(C)c[nH+]c(CNC(=O)[C@H]2CC[NH2+]2)c1C ZINC000827974969 587413937 /nfs/dbraw/zinc/41/39/37/587413937.db2.gz AYAZZVVQWFFCAG-SNVBAGLBSA-N 2 2 249.314 0.685 20 0 BCADLP C[N@@H+]1CCCC12CC[NH+](CC[S@](C)=O)CC2 ZINC000828127194 587420206 /nfs/dbraw/zinc/42/02/06/587420206.db2.gz GKWOAFYROINLIW-INIZCTEOSA-N 2 2 244.404 0.925 20 0 BCADLP C[N@H+]1CCCC12CC[NH+](CC[S@](C)=O)CC2 ZINC000828127194 587420208 /nfs/dbraw/zinc/42/02/08/587420208.db2.gz GKWOAFYROINLIW-INIZCTEOSA-N 2 2 244.404 0.925 20 0 BCADLP [NH3+][C@@H](CC(=O)Nc1cc[nH+]cc1O)C1CC1 ZINC000828974448 587476681 /nfs/dbraw/zinc/47/66/81/587476681.db2.gz UNXVRGFBLUBXEF-QMMMGPOBSA-N 2 2 221.260 0.275 20 0 BCADLP C[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[N@@H+]1C1CC1 ZINC000829864000 587526221 /nfs/dbraw/zinc/52/62/21/587526221.db2.gz UZQGRJGWASYZRT-NXEZZACHSA-N 2 2 248.330 0.694 20 0 BCADLP C[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[N@H+]1C1CC1 ZINC000829864000 587526223 /nfs/dbraw/zinc/52/62/23/587526223.db2.gz UZQGRJGWASYZRT-NXEZZACHSA-N 2 2 248.330 0.694 20 0 BCADLP C[C@]1(NC(=O)N[C@@H]2CCn3cc[nH+]c32)CC[NH2+]C1 ZINC000831092130 587585765 /nfs/dbraw/zinc/58/57/65/587585765.db2.gz IXDOBJGOWVRELS-SKDRFNHKSA-N 2 2 249.318 0.379 20 0 BCADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1=CC[N@H+](C)CC1 ZINC000831937449 587637593 /nfs/dbraw/zinc/63/75/93/587637593.db2.gz UZROIVLZWVHYPK-JTQLQIEISA-N 2 2 248.330 0.719 20 0 BCADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1=CC[N@@H+](C)CC1 ZINC000831937449 587637594 /nfs/dbraw/zinc/63/75/94/587637594.db2.gz UZROIVLZWVHYPK-JTQLQIEISA-N 2 2 248.330 0.719 20 0 BCADLP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000832140165 587646239 /nfs/dbraw/zinc/64/62/39/587646239.db2.gz LCMZHFCXJPSIIU-RKDXNWHRSA-N 2 2 222.292 0.811 20 0 BCADLP O=C(C[NH2+]C1CC1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000832139803 587646262 /nfs/dbraw/zinc/64/62/62/587646262.db2.gz FPSHKNKMVKROFK-JTQLQIEISA-N 2 2 234.303 0.825 20 0 BCADLP C[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000834618870 587761298 /nfs/dbraw/zinc/76/12/98/587761298.db2.gz ZCURSTQILILWAG-QUBYGPBYSA-N 2 2 243.257 0.428 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)[C@H]1CCCCNC1=O ZINC000841007674 587934639 /nfs/dbraw/zinc/93/46/39/587934639.db2.gz QOEFHBXDVDQALG-NEPJUHHUSA-N 2 2 241.379 0.960 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000841007674 587934640 /nfs/dbraw/zinc/93/46/40/587934640.db2.gz QOEFHBXDVDQALG-NEPJUHHUSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000841063519 587941057 /nfs/dbraw/zinc/94/10/57/587941057.db2.gz LACMPKWZIKFNTF-VIFPVBQESA-N 2 2 249.293 0.843 20 0 BCADLP Cc1ccc(NC(=O)NCC[NH3+])c(N(C)C)[nH+]1 ZINC000841154983 587947899 /nfs/dbraw/zinc/94/78/99/587947899.db2.gz PGUFBSVDRHFBOE-UHFFFAOYSA-N 2 2 237.307 0.536 20 0 BCADLP CCn1ncc(C[NH2+]C[C@H](C)C[NH+](C)C)n1 ZINC000842211117 588007345 /nfs/dbraw/zinc/00/73/45/588007345.db2.gz KPSNYZUDZQHVQG-JTQLQIEISA-N 2 2 225.340 0.585 20 0 BCADLP CCS(=O)(=O)CC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000842476163 588029676 /nfs/dbraw/zinc/02/96/76/588029676.db2.gz IJHFKZADYUGDMJ-GMTAPVOTSA-N 2 2 248.392 0.397 20 0 BCADLP C[NH2+]CC[N@H+](C)Cc1ccccc1-n1cncn1 ZINC000843057680 588078124 /nfs/dbraw/zinc/07/81/24/588078124.db2.gz QQYGPBQHQBAVNR-UHFFFAOYSA-N 2 2 245.330 0.919 20 0 BCADLP C[NH2+]CC[N@@H+](C)Cc1ccccc1-n1cncn1 ZINC000843057680 588078126 /nfs/dbraw/zinc/07/81/26/588078126.db2.gz QQYGPBQHQBAVNR-UHFFFAOYSA-N 2 2 245.330 0.919 20 0 BCADLP Cn1c[nH+]cc1Cc1noc(C[NH2+]CC2CC2)n1 ZINC000843199888 588092980 /nfs/dbraw/zinc/09/29/80/588092980.db2.gz JESZTBPLTPIKIO-UHFFFAOYSA-N 2 2 247.302 0.894 20 0 BCADLP CCCOC(=O)[C@@H](C)[N@H+](C)CCC[NH3+] ZINC000843351243 588102598 /nfs/dbraw/zinc/10/25/98/588102598.db2.gz MXTSRKZYRZAUEH-SECBINFHSA-N 2 2 202.298 0.609 20 0 BCADLP CCCOC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000843351243 588102599 /nfs/dbraw/zinc/10/25/99/588102599.db2.gz MXTSRKZYRZAUEH-SECBINFHSA-N 2 2 202.298 0.609 20 0 BCADLP CCC/C(C)=C\C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000843357833 588103749 /nfs/dbraw/zinc/10/37/49/588103749.db2.gz RLHBAIITHLYRIQ-NXIHDVOMSA-N 2 2 239.363 0.834 20 0 BCADLP CCC/C(C)=C\C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000843357833 588103750 /nfs/dbraw/zinc/10/37/50/588103750.db2.gz RLHBAIITHLYRIQ-NXIHDVOMSA-N 2 2 239.363 0.834 20 0 BCADLP CC[NH2+]CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000843493029 588115273 /nfs/dbraw/zinc/11/52/73/588115273.db2.gz BWEONTGTTFLCQB-VIFPVBQESA-N 2 2 222.292 0.683 20 0 BCADLP CC[NH2+]CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000843490853 588115800 /nfs/dbraw/zinc/11/58/00/588115800.db2.gz FDUUQFMZAFPTJK-UHFFFAOYSA-N 2 2 224.308 0.341 20 0 BCADLP C[C@@H]1[C@H](C(=O)NCc2c[nH+]cn2C)CC[N@@H+]1C ZINC000843890834 588148230 /nfs/dbraw/zinc/14/82/30/588148230.db2.gz YJIXRJBOBITCFY-MWLCHTKSSA-N 2 2 236.319 0.377 20 0 BCADLP C[C@@H]1[C@H](C(=O)NCc2c[nH+]cn2C)CC[N@H+]1C ZINC000843890834 588148231 /nfs/dbraw/zinc/14/82/31/588148231.db2.gz YJIXRJBOBITCFY-MWLCHTKSSA-N 2 2 236.319 0.377 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000844191796 588172920 /nfs/dbraw/zinc/17/29/20/588172920.db2.gz ZWRLDBPHRYOJJH-SNVBAGLBSA-N 2 2 226.255 0.036 20 0 BCADLP C[N@H+](CC(=O)NCc1ccccn1)C1CC([NH3+])C1 ZINC000844224841 588174117 /nfs/dbraw/zinc/17/41/17/588174117.db2.gz JINSNQVFYMBXGL-UHFFFAOYSA-N 2 2 248.330 0.119 20 0 BCADLP C[N@@H+](CC(=O)NCc1ccccn1)C1CC([NH3+])C1 ZINC000844224841 588174119 /nfs/dbraw/zinc/17/41/19/588174119.db2.gz JINSNQVFYMBXGL-UHFFFAOYSA-N 2 2 248.330 0.119 20 0 BCADLP C(C[NH+]1CCOCC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000844226239 588174437 /nfs/dbraw/zinc/17/44/37/588174437.db2.gz KNVDUSWUBIABNZ-CYBMUJFWSA-N 2 2 239.363 0.147 20 0 BCADLP [NH3+]CCCCCC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000846220810 588261074 /nfs/dbraw/zinc/26/10/74/588261074.db2.gz VFMIKJMDUKKLJL-LLVKDONJSA-N 3 2 215.341 0.165 20 0 BCADLP [NH3+]CCCCCC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000846220810 588261075 /nfs/dbraw/zinc/26/10/75/588261075.db2.gz VFMIKJMDUKKLJL-LLVKDONJSA-N 3 2 215.341 0.165 20 0 BCADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)(C)C1 ZINC000846670472 588281664 /nfs/dbraw/zinc/28/16/64/588281664.db2.gz CNYLNPOQKLOXKF-QWRGUYRKSA-N 2 2 241.379 0.912 20 0 BCADLP CCCCCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000846668044 588281746 /nfs/dbraw/zinc/28/17/46/588281746.db2.gz RFLLFYJMPNEFAQ-NSHDSACASA-N 2 2 229.368 0.962 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000846868840 588294537 /nfs/dbraw/zinc/29/45/37/588294537.db2.gz TXBWHADDKARZGN-YPMHNXCESA-N 2 2 235.331 0.667 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000846868840 588294538 /nfs/dbraw/zinc/29/45/38/588294538.db2.gz TXBWHADDKARZGN-YPMHNXCESA-N 2 2 235.331 0.667 20 0 BCADLP O[C@H](C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)C1CC1 ZINC000846876354 588294778 /nfs/dbraw/zinc/29/47/78/588294778.db2.gz QMEOORZEITWFRZ-LLVKDONJSA-N 2 2 236.319 0.303 20 0 BCADLP C[N@@H+]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC000847139455 588307725 /nfs/dbraw/zinc/30/77/25/588307725.db2.gz KJEITAZHGDZWLP-UHFFFAOYSA-N 2 2 236.319 0.505 20 0 BCADLP C[N@H+]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC000847139455 588307726 /nfs/dbraw/zinc/30/77/26/588307726.db2.gz KJEITAZHGDZWLP-UHFFFAOYSA-N 2 2 236.319 0.505 20 0 BCADLP [NH2+]=C(NCCn1cc[nH+]c1)NC1CCC1 ZINC000848981430 588423754 /nfs/dbraw/zinc/42/37/54/588423754.db2.gz WICZXEOHARBJBV-UHFFFAOYSA-N 2 2 207.281 0.550 20 0 BCADLP [NH2+]=C(NCC[NH+]1CCSCC1)N1CCC1 ZINC000849005880 588432558 /nfs/dbraw/zinc/43/25/58/588432558.db2.gz VNNFIEFVPFXXOO-UHFFFAOYSA-N 2 2 228.365 0.265 20 0 BCADLP CC[C@H](C)NC(=[NH2+])NCC[NH+]1CCSCC1 ZINC000849005608 588432641 /nfs/dbraw/zinc/43/26/41/588432641.db2.gz LEDXWQFAKKCMJU-JTQLQIEISA-N 2 2 244.408 0.948 20 0 BCADLP C[C@@H]1C[NH+]=C(NCc2c[nH+]c3n2CCCC3)N1 ZINC000849026778 588441075 /nfs/dbraw/zinc/44/10/75/588441075.db2.gz HHIVEHRRTLSXNX-SECBINFHSA-N 2 2 233.319 0.657 20 0 BCADLP Cn1c[nH+]cc1CNC(=[NH2+])NC1CCC1 ZINC000849029155 588441911 /nfs/dbraw/zinc/44/19/11/588441911.db2.gz HVTJKDDJVPVWHG-UHFFFAOYSA-N 2 2 207.281 0.587 20 0 BCADLP COC[C@H](C)NC(=[NH2+])NCCc1cn(C)c[nH+]1 ZINC000849040078 588447166 /nfs/dbraw/zinc/44/71/66/588447166.db2.gz JJCRGIROLMNGLJ-VIFPVBQESA-N 2 2 239.323 0.111 20 0 BCADLP CNC(=[NH2+])NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849049979 588451976 /nfs/dbraw/zinc/45/19/76/588451976.db2.gz XWTXGAHITSRJKP-LPEHRKFASA-N 2 2 228.340 0.228 20 0 BCADLP CNC(=[NH2+])NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849049979 588451978 /nfs/dbraw/zinc/45/19/78/588451978.db2.gz XWTXGAHITSRJKP-LPEHRKFASA-N 2 2 228.340 0.228 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCCc2cnn(C)n2)n1C ZINC000850310266 588535898 /nfs/dbraw/zinc/53/58/98/588535898.db2.gz DQZVQCYGTJZJTC-UHFFFAOYSA-N 2 2 248.334 0.579 20 0 BCADLP CON(C)CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000850480872 588551088 /nfs/dbraw/zinc/55/10/88/588551088.db2.gz WDXVLZPVJSSJLQ-JQWIXIFHSA-N 2 2 227.352 0.552 20 0 BCADLP CON(C)CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000850480872 588551089 /nfs/dbraw/zinc/55/10/89/588551089.db2.gz WDXVLZPVJSSJLQ-JQWIXIFHSA-N 2 2 227.352 0.552 20 0 BCADLP [NH3+]CC[N@H+](CCO)Cc1cccc2c1CC[NH2+]C2 ZINC000852745930 588699153 /nfs/dbraw/zinc/69/91/53/588699153.db2.gz AYTAPUUJJWXXRH-UHFFFAOYSA-N 3 2 249.358 0.085 20 0 BCADLP [NH3+]CC[N@@H+](CCO)Cc1cccc2c1CC[NH2+]C2 ZINC000852745930 588699154 /nfs/dbraw/zinc/69/91/54/588699154.db2.gz AYTAPUUJJWXXRH-UHFFFAOYSA-N 3 2 249.358 0.085 20 0 BCADLP COC[C@@H](C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)OC ZINC000852751235 588700277 /nfs/dbraw/zinc/70/02/77/588700277.db2.gz UFWWUBKDWKRRMU-NEPJUHHUSA-N 2 2 228.336 0.476 20 0 BCADLP COC[C@@H](C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)OC ZINC000852751235 588700278 /nfs/dbraw/zinc/70/02/78/588700278.db2.gz UFWWUBKDWKRRMU-NEPJUHHUSA-N 2 2 228.336 0.476 20 0 BCADLP C[NH+](C)CCC[C@@H]1C[N@H+](CCF)CCO1 ZINC000852760642 588700804 /nfs/dbraw/zinc/70/08/04/588700804.db2.gz JYUCEXMCAGGYOJ-LLVKDONJSA-N 2 2 218.316 0.999 20 0 BCADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CCF)CCO1 ZINC000852760642 588700805 /nfs/dbraw/zinc/70/08/05/588700805.db2.gz JYUCEXMCAGGYOJ-LLVKDONJSA-N 2 2 218.316 0.999 20 0 BCADLP C[C@H](NC(=O)[C@@]1(F)CC[NH2+]C1)c1[nH+]ccn1C ZINC000852916795 588713245 /nfs/dbraw/zinc/71/32/45/588713245.db2.gz BNJCYQKAQFMXLA-GZMMTYOYSA-N 2 2 240.282 0.299 20 0 BCADLP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000861559082 589167917 /nfs/dbraw/zinc/16/79/17/589167917.db2.gz MZOAGZJYHGRWCT-ZJUUUORDSA-N 2 2 239.323 0.260 20 0 BCADLP C[C@H]([NH3+])CN(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000861559080 589168013 /nfs/dbraw/zinc/16/80/13/589168013.db2.gz MZOAGZJYHGRWCT-UWVGGRQHSA-N 2 2 239.323 0.260 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000861635646 589171786 /nfs/dbraw/zinc/17/17/86/589171786.db2.gz QBHHUARKXKVZQZ-AEJSXWLSSA-N 2 2 249.318 0.378 20 0 BCADLP CCn1cc(CC[N@H+](C)C[C@H](C)[NH3+])cn1 ZINC000863569489 589300539 /nfs/dbraw/zinc/30/05/39/589300539.db2.gz XBQHEZHQXMLGFZ-JTQLQIEISA-N 2 2 210.325 0.725 20 0 BCADLP CCn1cc(CC[N@@H+](C)C[C@H](C)[NH3+])cn1 ZINC000863569489 589300541 /nfs/dbraw/zinc/30/05/41/589300541.db2.gz XBQHEZHQXMLGFZ-JTQLQIEISA-N 2 2 210.325 0.725 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC000863569244 589300770 /nfs/dbraw/zinc/30/07/70/589300770.db2.gz RZLLXNOWXMSKNC-VIFPVBQESA-N 2 2 209.293 0.164 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccn(C)c(=O)c1 ZINC000863569244 589300771 /nfs/dbraw/zinc/30/07/71/589300771.db2.gz RZLLXNOWXMSKNC-VIFPVBQESA-N 2 2 209.293 0.164 20 0 BCADLP CCCCNC(=O)CC[N@H+](C)C[C@H](C)[NH3+] ZINC000863570218 589300852 /nfs/dbraw/zinc/30/08/52/589300852.db2.gz SYNOXNVBSLBCNU-JTQLQIEISA-N 2 2 215.341 0.572 20 0 BCADLP CCCCNC(=O)CC[N@@H+](C)C[C@H](C)[NH3+] ZINC000863570218 589300853 /nfs/dbraw/zinc/30/08/53/589300853.db2.gz SYNOXNVBSLBCNU-JTQLQIEISA-N 2 2 215.341 0.572 20 0 BCADLP CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000864050026 589334800 /nfs/dbraw/zinc/33/48/00/589334800.db2.gz RQYIVLVOIHTLRM-QMMMGPOBSA-N 2 2 208.265 0.024 20 0 BCADLP COCC[N@H+](C)CCNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864458139 589367886 /nfs/dbraw/zinc/36/78/86/589367886.db2.gz WZOLBKKXJNKSCL-VHSXEESVSA-N 2 2 228.340 0.087 20 0 BCADLP COCC[N@@H+](C)CCNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864458139 589367887 /nfs/dbraw/zinc/36/78/87/589367887.db2.gz WZOLBKKXJNKSCL-VHSXEESVSA-N 2 2 228.340 0.087 20 0 BCADLP CC(C)(O)C[N@@H+]1CC[C@H](NCc2[nH]cc[nH+]2)C1 ZINC000865655611 589454541 /nfs/dbraw/zinc/45/45/41/589454541.db2.gz KJJQAOXMJASJNP-JTQLQIEISA-N 2 2 238.335 0.345 20 0 BCADLP CC(C)(O)C[N@H+]1CC[C@H](NCc2[nH]cc[nH+]2)C1 ZINC000865655611 589454542 /nfs/dbraw/zinc/45/45/42/589454542.db2.gz KJJQAOXMJASJNP-JTQLQIEISA-N 2 2 238.335 0.345 20 0 BCADLP CC1(C)CC[C@@H](C[N@H+](CC[NH3+])CCO)OC1 ZINC000866661903 589508875 /nfs/dbraw/zinc/50/88/75/589508875.db2.gz WODUVKRRSPHBRF-NSHDSACASA-N 2 2 230.352 0.445 20 0 BCADLP CC1(C)CC[C@@H](C[N@@H+](CC[NH3+])CCO)OC1 ZINC000866661903 589508876 /nfs/dbraw/zinc/50/88/76/589508876.db2.gz WODUVKRRSPHBRF-NSHDSACASA-N 2 2 230.352 0.445 20 0 BCADLP Cc1cccnc1NC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000866665128 589509323 /nfs/dbraw/zinc/50/93/23/589509323.db2.gz CFPCMLLKYLMVMX-UHFFFAOYSA-N 2 2 248.330 0.750 20 0 BCADLP Cc1cccnc1NC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000866665128 589509325 /nfs/dbraw/zinc/50/93/25/589509325.db2.gz CFPCMLLKYLMVMX-UHFFFAOYSA-N 2 2 248.330 0.750 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](C)CCc1ccc(C(N)=O)cc1 ZINC000866668998 589510250 /nfs/dbraw/zinc/51/02/50/589510250.db2.gz ZTEGMJBUEORLDC-SNVBAGLBSA-N 2 2 235.331 0.607 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](C)CCc1ccc(C(N)=O)cc1 ZINC000866668998 589510252 /nfs/dbraw/zinc/51/02/52/589510252.db2.gz ZTEGMJBUEORLDC-SNVBAGLBSA-N 2 2 235.331 0.607 20 0 BCADLP C[C@H](C[N@H+](CC[NH3+])C[C@@H](O)CO)CC(C)(C)C ZINC000866669061 589510416 /nfs/dbraw/zinc/51/04/16/589510416.db2.gz OJSKNGKCPKUQJP-NWDGAFQWSA-N 2 2 246.395 0.673 20 0 BCADLP C[C@H](C[N@@H+](CC[NH3+])C[C@@H](O)CO)CC(C)(C)C ZINC000866669061 589510417 /nfs/dbraw/zinc/51/04/17/589510417.db2.gz OJSKNGKCPKUQJP-NWDGAFQWSA-N 2 2 246.395 0.673 20 0 BCADLP c1nc2n(n1)[C@H](C[N@@H+]1CCC[C@H]3[NH2+]CC[C@@H]31)CC2 ZINC000866723309 589515915 /nfs/dbraw/zinc/51/59/15/589515915.db2.gz GLJBHCULXFXUNA-TUAOUCFPSA-N 2 2 247.346 0.592 20 0 BCADLP c1nc2n(n1)[C@H](C[N@H+]1CCC[C@H]3[NH2+]CC[C@@H]31)CC2 ZINC000866723309 589515916 /nfs/dbraw/zinc/51/59/16/589515916.db2.gz GLJBHCULXFXUNA-TUAOUCFPSA-N 2 2 247.346 0.592 20 0 BCADLP Cn1ccc(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1=O ZINC000866725978 589516387 /nfs/dbraw/zinc/51/63/87/589516387.db2.gz UGIBKQJQTIBLOX-STQMWFEESA-N 2 2 247.342 0.712 20 0 BCADLP Cn1ccc(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1=O ZINC000866725978 589516388 /nfs/dbraw/zinc/51/63/88/589516388.db2.gz UGIBKQJQTIBLOX-STQMWFEESA-N 2 2 247.342 0.712 20 0 BCADLP C[N@@H+]1CCn2nc(NC(=O)CCC[NH3+])cc2C1 ZINC000871011111 589711465 /nfs/dbraw/zinc/71/14/65/589711465.db2.gz PEUPSAUJQOHNOE-UHFFFAOYSA-N 2 2 237.307 0.006 20 0 BCADLP C[N@H+]1CCn2nc(NC(=O)CCC[NH3+])cc2C1 ZINC000871011111 589711468 /nfs/dbraw/zinc/71/14/68/589711468.db2.gz PEUPSAUJQOHNOE-UHFFFAOYSA-N 2 2 237.307 0.006 20 0 BCADLP CC[C@H]([NH3+])C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000871021922 589713551 /nfs/dbraw/zinc/71/35/51/589713551.db2.gz ZWEDVWAONSLLLO-NSHDSACASA-N 2 2 248.330 0.597 20 0 BCADLP C[NH2+]CCC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000871021444 589713739 /nfs/dbraw/zinc/71/37/39/589713739.db2.gz RYFXOBSKBZGKMF-UHFFFAOYSA-N 2 2 248.330 0.470 20 0 BCADLP COCCN(C)C(=[NH2+])NCCCn1cc[nH+]c1 ZINC000871603314 589773496 /nfs/dbraw/zinc/77/34/96/589773496.db2.gz NSTMVDKOKAQNKE-UHFFFAOYSA-N 2 2 239.323 0.376 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC3(CCC3)CO2)CCO1 ZINC000872144409 589884261 /nfs/dbraw/zinc/88/42/61/589884261.db2.gz YHSAYGZUGGDOIL-NWDGAFQWSA-N 2 2 240.347 0.605 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CC3(CCC3)CO2)CCO1 ZINC000872144409 589884263 /nfs/dbraw/zinc/88/42/63/589884263.db2.gz YHSAYGZUGGDOIL-NWDGAFQWSA-N 2 2 240.347 0.605 20 0 BCADLP [NH3+]CCC[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872150932 589885041 /nfs/dbraw/zinc/88/50/41/589885041.db2.gz HNRXEFZMKZGUJU-YUMQZZPRSA-N 3 2 225.258 0.404 20 0 BCADLP [NH3+]CCC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872150932 589885042 /nfs/dbraw/zinc/88/50/42/589885042.db2.gz HNRXEFZMKZGUJU-YUMQZZPRSA-N 3 2 225.258 0.404 20 0 BCADLP C[NH2+]CCC[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872153006 589885446 /nfs/dbraw/zinc/88/54/46/589885446.db2.gz XUZUGBHQCLYEPA-DTWKUNHWSA-N 3 2 239.285 0.665 20 0 BCADLP C[NH2+]CCC[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872153006 589885447 /nfs/dbraw/zinc/88/54/47/589885447.db2.gz XUZUGBHQCLYEPA-DTWKUNHWSA-N 3 2 239.285 0.665 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872201467 589890468 /nfs/dbraw/zinc/89/04/68/589890468.db2.gz BUPAHXHXEWVYIL-MNOVXSKESA-N 2 2 230.352 0.192 20 0 BCADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872201467 589890471 /nfs/dbraw/zinc/89/04/71/589890471.db2.gz BUPAHXHXEWVYIL-MNOVXSKESA-N 2 2 230.352 0.192 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)O)C1 ZINC000872215891 589895151 /nfs/dbraw/zinc/89/51/51/589895151.db2.gz JOAMEMNUFXCWIW-RYUDHWBXSA-N 2 2 244.379 0.582 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)O)C1 ZINC000872215891 589895152 /nfs/dbraw/zinc/89/51/52/589895152.db2.gz JOAMEMNUFXCWIW-RYUDHWBXSA-N 2 2 244.379 0.582 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)O)C1 ZINC000872215890 589895430 /nfs/dbraw/zinc/89/54/30/589895430.db2.gz JOAMEMNUFXCWIW-NWDGAFQWSA-N 2 2 244.379 0.582 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)O)C1 ZINC000872215890 589895431 /nfs/dbraw/zinc/89/54/31/589895431.db2.gz JOAMEMNUFXCWIW-NWDGAFQWSA-N 2 2 244.379 0.582 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)O)C1 ZINC000872215889 589895452 /nfs/dbraw/zinc/89/54/52/589895452.db2.gz JOAMEMNUFXCWIW-NEPJUHHUSA-N 2 2 244.379 0.582 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)O)C1 ZINC000872215889 589895454 /nfs/dbraw/zinc/89/54/54/589895454.db2.gz JOAMEMNUFXCWIW-NEPJUHHUSA-N 2 2 244.379 0.582 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(N)cn2)C1 ZINC000873207659 589993949 /nfs/dbraw/zinc/99/39/49/589993949.db2.gz NOJDHVOUKQUZAW-NSHDSACASA-N 2 2 249.362 0.832 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(N)cn2)C1 ZINC000873207659 589993951 /nfs/dbraw/zinc/99/39/51/589993951.db2.gz NOJDHVOUKQUZAW-NSHDSACASA-N 2 2 249.362 0.832 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(N)cn2)C1 ZINC000873207659 589993953 /nfs/dbraw/zinc/99/39/53/589993953.db2.gz NOJDHVOUKQUZAW-NSHDSACASA-N 2 2 249.362 0.832 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(N)cn2)C1 ZINC000873207659 589993955 /nfs/dbraw/zinc/99/39/55/589993955.db2.gz NOJDHVOUKQUZAW-NSHDSACASA-N 2 2 249.362 0.832 20 0 BCADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cnc(N)cn2)CC1 ZINC000873207534 589994399 /nfs/dbraw/zinc/99/43/99/589994399.db2.gz FVEWAHSNFFCISK-GFCCVEGCSA-N 2 2 249.362 0.975 20 0 BCADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cnc(N)cn2)CC1 ZINC000873207534 589994401 /nfs/dbraw/zinc/99/44/01/589994401.db2.gz FVEWAHSNFFCISK-GFCCVEGCSA-N 2 2 249.362 0.975 20 0 BCADLP C[NH2+]CC[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211102 589994973 /nfs/dbraw/zinc/99/49/73/589994973.db2.gz VJMGDMJNPOCWAX-UHFFFAOYSA-N 3 2 225.361 0.703 20 0 BCADLP CC[NH+](CC)CCC[NH2+]Cc1cnc(N)cn1 ZINC000873210794 589995062 /nfs/dbraw/zinc/99/50/62/589995062.db2.gz BTRUKMDKBUYVCL-UHFFFAOYSA-N 2 2 237.351 0.880 20 0 BCADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cnc(N)cn1 ZINC000873210586 589995580 /nfs/dbraw/zinc/99/55/80/589995580.db2.gz LBUPBSZOHRRGTJ-VIFPVBQESA-N 2 2 209.297 0.132 20 0 BCADLP Nc1cnc(C[NH2+]CC2([NH3+])CCC2)cn1 ZINC000873211302 589995976 /nfs/dbraw/zinc/99/59/76/589995976.db2.gz YBVMHOBKCCGKMA-UHFFFAOYSA-N 2 2 207.281 0.030 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cnc(N)cn1 ZINC000873214088 589996780 /nfs/dbraw/zinc/99/67/80/589996780.db2.gz XNWCGJNBHZNBAE-DTWKUNHWSA-N 2 2 221.308 0.370 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cnc(N)cn1 ZINC000873214088 589996781 /nfs/dbraw/zinc/99/67/81/589996781.db2.gz XNWCGJNBHZNBAE-DTWKUNHWSA-N 2 2 221.308 0.370 20 0 BCADLP Nc1cnc(C[NH2+]CCC[NH2+]C2CC2)cn1 ZINC000873212682 589997517 /nfs/dbraw/zinc/99/75/17/589997517.db2.gz OWCOYXDPYWOPBT-UHFFFAOYSA-N 2 2 221.308 0.291 20 0 BCADLP C1O[C@H]2[C@H]([NH2+][C@@H]3CCC[NH2+]C3)[C@H]3C[C@H]1[C@@H]2C3 ZINC000873217811 589998067 /nfs/dbraw/zinc/99/80/67/589998067.db2.gz QWVRFUNVBVRUTP-JSAZDUPASA-N 2 2 222.332 0.751 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cnc(N)s1)C2 ZINC000873228999 590000812 /nfs/dbraw/zinc/00/08/12/590000812.db2.gz NAOLVSIGFHEWDN-GZMMTYOYSA-N 2 2 238.360 0.767 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1cnc(N)s1)C2 ZINC000873228999 590000815 /nfs/dbraw/zinc/00/08/15/590000815.db2.gz NAOLVSIGFHEWDN-GZMMTYOYSA-N 2 2 238.360 0.767 20 0 BCADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000873251619 590008466 /nfs/dbraw/zinc/00/84/66/590008466.db2.gz WSCUJZIJJCKRNS-CIUDSAMLSA-N 2 2 238.339 0.784 20 0 BCADLP C[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000873267995 590009694 /nfs/dbraw/zinc/00/96/94/590009694.db2.gz OBCOLGDCNRJSFB-LOWVWBTDSA-N 3 2 225.380 0.914 20 0 BCADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000873267995 590009696 /nfs/dbraw/zinc/00/96/96/590009696.db2.gz OBCOLGDCNRJSFB-LOWVWBTDSA-N 3 2 225.380 0.914 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254432 590010297 /nfs/dbraw/zinc/01/02/97/590010297.db2.gz TVWPPJKUYZSHDC-HNCHTBHHSA-N 3 2 223.364 0.796 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254432 590010300 /nfs/dbraw/zinc/01/03/00/590010300.db2.gz TVWPPJKUYZSHDC-HNCHTBHHSA-N 3 2 223.364 0.796 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876753562 590238332 /nfs/dbraw/zinc/23/83/32/590238332.db2.gz MHWXYTMIKFRWKL-BDAKNGLRSA-N 2 2 236.319 0.410 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000876763371 590238749 /nfs/dbraw/zinc/23/87/49/590238749.db2.gz FAGWQGHVTYZPRS-HTQZYQBOSA-N 2 2 222.292 0.399 20 0 BCADLP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCCc1[nH]cc[nH+]1 ZINC000876764893 590239546 /nfs/dbraw/zinc/23/95/46/590239546.db2.gz RAAJQTTWRDCJNN-UFFNRZRYSA-N 2 2 248.330 0.624 20 0 BCADLP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCCc1[nH]cc[nH+]1 ZINC000876764886 590239831 /nfs/dbraw/zinc/23/98/31/590239831.db2.gz RAAJQTTWRDCJNN-BYCRGOAPSA-N 2 2 248.330 0.624 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000876778476 590240085 /nfs/dbraw/zinc/24/00/85/590240085.db2.gz GGHOSMFTGBQDAS-UHFFFAOYSA-N 2 2 248.330 0.867 20 0 BCADLP CC1(C)[C@H](C(=O)NCc2c[nH+]c[nH]2)C[C@@H]1[NH3+] ZINC000876882861 590253091 /nfs/dbraw/zinc/25/30/91/590253091.db2.gz UHSGUFHSVUFEKH-IUCAKERBSA-N 2 2 222.292 0.399 20 0 BCADLP CC1(C)[C@H](C(=O)NCc2c[nH]c[nH+]2)C[C@@H]1[NH3+] ZINC000876882861 590253092 /nfs/dbraw/zinc/25/30/92/590253092.db2.gz UHSGUFHSVUFEKH-IUCAKERBSA-N 2 2 222.292 0.399 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000876925322 590257685 /nfs/dbraw/zinc/25/76/85/590257685.db2.gz ZNMCGPVJGCFNOC-ZDUSSCGKSA-N 2 2 248.330 0.615 20 0 BCADLP C[C@@H]([NH3+])CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000877105945 590285060 /nfs/dbraw/zinc/28/50/60/590285060.db2.gz TXUJOBBKHXWCSQ-ZJUUUORDSA-N 2 2 224.308 0.640 20 0 BCADLP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000877108987 590286239 /nfs/dbraw/zinc/28/62/39/590286239.db2.gz YQRPWSVSGNJMJL-IWSPIJDZSA-N 2 2 222.292 0.319 20 0 BCADLP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000877108987 590286241 /nfs/dbraw/zinc/28/62/41/590286241.db2.gz YQRPWSVSGNJMJL-IWSPIJDZSA-N 2 2 222.292 0.319 20 0 BCADLP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000877108986 590286285 /nfs/dbraw/zinc/28/62/85/590286285.db2.gz YQRPWSVSGNJMJL-DJLDLDEBSA-N 2 2 222.292 0.319 20 0 BCADLP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000877108986 590286287 /nfs/dbraw/zinc/28/62/87/590286287.db2.gz YQRPWSVSGNJMJL-DJLDLDEBSA-N 2 2 222.292 0.319 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877744283 590412236 /nfs/dbraw/zinc/41/22/36/590412236.db2.gz RBETVYANIJKMRI-VXGBXAGGSA-N 2 2 234.347 0.946 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877744283 590412237 /nfs/dbraw/zinc/41/22/37/590412237.db2.gz RBETVYANIJKMRI-VXGBXAGGSA-N 2 2 234.347 0.946 20 0 BCADLP CC[N@H+](CCc1c[nH+]cn1C)CC(=O)OC ZINC000878046845 590480519 /nfs/dbraw/zinc/48/05/19/590480519.db2.gz KQTOXFCYFYNWAV-UHFFFAOYSA-N 2 2 225.292 0.458 20 0 BCADLP CC[N@@H+](CCc1c[nH+]cn1C)CC(=O)OC ZINC000878046845 590480520 /nfs/dbraw/zinc/48/05/20/590480520.db2.gz KQTOXFCYFYNWAV-UHFFFAOYSA-N 2 2 225.292 0.458 20 0 BCADLP c1cn([C@@H]2CCC[N@@H+](CCn3cnnn3)C2)c[nH+]1 ZINC000878058636 590484356 /nfs/dbraw/zinc/48/43/56/590484356.db2.gz BKKIGWBCXHYCDN-LLVKDONJSA-N 2 2 247.306 0.207 20 0 BCADLP c1cn([C@@H]2CCC[N@H+](CCn3cnnn3)C2)c[nH+]1 ZINC000878058636 590484358 /nfs/dbraw/zinc/48/43/58/590484358.db2.gz BKKIGWBCXHYCDN-LLVKDONJSA-N 2 2 247.306 0.207 20 0 BCADLP c1cn([C@H]2CCC[N@@H+](CCn3cnnn3)C2)c[nH+]1 ZINC000878058637 590485101 /nfs/dbraw/zinc/48/51/01/590485101.db2.gz BKKIGWBCXHYCDN-NSHDSACASA-N 2 2 247.306 0.207 20 0 BCADLP c1cn([C@H]2CCC[N@H+](CCn3cnnn3)C2)c[nH+]1 ZINC000878058637 590485103 /nfs/dbraw/zinc/48/51/03/590485103.db2.gz BKKIGWBCXHYCDN-NSHDSACASA-N 2 2 247.306 0.207 20 0 BCADLP c1c[nH+]c(C2CC[NH+](CCn3cnnn3)CC2)[nH]1 ZINC000878172401 590515238 /nfs/dbraw/zinc/51/52/38/590515238.db2.gz HFGZKZGSWYVLSO-UHFFFAOYSA-N 2 2 247.306 0.276 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879567427 590805872 /nfs/dbraw/zinc/80/58/72/590805872.db2.gz QHTYPPVSNQKORI-RYUDHWBXSA-N 2 2 239.363 0.537 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879567427 590805874 /nfs/dbraw/zinc/80/58/74/590805874.db2.gz QHTYPPVSNQKORI-RYUDHWBXSA-N 2 2 239.363 0.537 20 0 BCADLP CC(C)NC(=O)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879567427 590805879 /nfs/dbraw/zinc/80/58/79/590805879.db2.gz QHTYPPVSNQKORI-RYUDHWBXSA-N 2 2 239.363 0.537 20 0 BCADLP CC(C)NC(=O)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879567427 590805884 /nfs/dbraw/zinc/80/58/84/590805884.db2.gz QHTYPPVSNQKORI-RYUDHWBXSA-N 2 2 239.363 0.537 20 0 BCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573999 590813486 /nfs/dbraw/zinc/81/34/86/590813486.db2.gz VOVCZMNZDXEBGY-GMTAPVOTSA-N 2 2 225.336 0.276 20 0 BCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573999 590813488 /nfs/dbraw/zinc/81/34/88/590813488.db2.gz VOVCZMNZDXEBGY-GMTAPVOTSA-N 2 2 225.336 0.276 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573999 590813490 /nfs/dbraw/zinc/81/34/90/590813490.db2.gz VOVCZMNZDXEBGY-GMTAPVOTSA-N 2 2 225.336 0.276 20 0 BCADLP CC[C@H](C(N)=O)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573999 590813492 /nfs/dbraw/zinc/81/34/92/590813492.db2.gz VOVCZMNZDXEBGY-GMTAPVOTSA-N 2 2 225.336 0.276 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](CCn3cc[nH+]c3)CC[C@H]21 ZINC000879577330 590813612 /nfs/dbraw/zinc/81/36/12/590813612.db2.gz IOFOTHPKLBPGKM-CHWSQXEVSA-N 3 2 234.347 0.909 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](CCn3cc[nH+]c3)CC[C@H]21 ZINC000879577330 590813615 /nfs/dbraw/zinc/81/36/15/590813615.db2.gz IOFOTHPKLBPGKM-CHWSQXEVSA-N 3 2 234.347 0.909 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](CCn3cc[nH+]c3)CC[C@H]21 ZINC000879577330 590813618 /nfs/dbraw/zinc/81/36/18/590813618.db2.gz IOFOTHPKLBPGKM-CHWSQXEVSA-N 3 2 234.347 0.909 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](CCn3cc[nH+]c3)CC[C@H]21 ZINC000879577330 590813619 /nfs/dbraw/zinc/81/36/19/590813619.db2.gz IOFOTHPKLBPGKM-CHWSQXEVSA-N 3 2 234.347 0.909 20 0 BCADLP CC(=O)[C@](C)(O)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580130 590816605 /nfs/dbraw/zinc/81/66/05/590816605.db2.gz RRYLICYDJQQOFP-RWMBFGLXSA-N 2 2 240.347 0.352 20 0 BCADLP CC(=O)[C@](C)(O)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580130 590816607 /nfs/dbraw/zinc/81/66/07/590816607.db2.gz RRYLICYDJQQOFP-RWMBFGLXSA-N 2 2 240.347 0.352 20 0 BCADLP CC(=O)[C@](C)(O)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580130 590816611 /nfs/dbraw/zinc/81/66/11/590816611.db2.gz RRYLICYDJQQOFP-RWMBFGLXSA-N 2 2 240.347 0.352 20 0 BCADLP CC(=O)[C@](C)(O)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580130 590816612 /nfs/dbraw/zinc/81/66/12/590816612.db2.gz RRYLICYDJQQOFP-RWMBFGLXSA-N 2 2 240.347 0.352 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](CC[S@](C)=O)CC[C@H]21 ZINC000879580826 590822720 /nfs/dbraw/zinc/82/27/20/590822720.db2.gz LCPOBNZDANGBJL-HFAKWTLXSA-N 2 2 230.377 0.391 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](CC[S@](C)=O)CC[C@H]21 ZINC000879580826 590822722 /nfs/dbraw/zinc/82/27/22/590822722.db2.gz LCPOBNZDANGBJL-HFAKWTLXSA-N 2 2 230.377 0.391 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](CC[S@](C)=O)CC[C@H]21 ZINC000879580826 590822724 /nfs/dbraw/zinc/82/27/24/590822724.db2.gz LCPOBNZDANGBJL-HFAKWTLXSA-N 2 2 230.377 0.391 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](CC[S@](C)=O)CC[C@H]21 ZINC000879580826 590822727 /nfs/dbraw/zinc/82/27/27/590822727.db2.gz LCPOBNZDANGBJL-HFAKWTLXSA-N 2 2 230.377 0.391 20 0 BCADLP CNC(=O)CC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880132020 590935064 /nfs/dbraw/zinc/93/50/64/590935064.db2.gz MGZIOEBGBKMFHP-GHMZBOCLSA-N 2 2 225.336 0.291 20 0 BCADLP CNC(=O)CC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880132020 590935067 /nfs/dbraw/zinc/93/50/67/590935067.db2.gz MGZIOEBGBKMFHP-GHMZBOCLSA-N 2 2 225.336 0.291 20 0 BCADLP CNC(=O)CC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880132020 590935071 /nfs/dbraw/zinc/93/50/71/590935071.db2.gz MGZIOEBGBKMFHP-GHMZBOCLSA-N 2 2 225.336 0.291 20 0 BCADLP CNC(=O)CC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880132020 590935072 /nfs/dbraw/zinc/93/50/72/590935072.db2.gz MGZIOEBGBKMFHP-GHMZBOCLSA-N 2 2 225.336 0.291 20 0 BCADLP Cn1cc(CC[N@@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)nn1 ZINC000880140882 590942364 /nfs/dbraw/zinc/94/23/64/590942364.db2.gz DYAOZZLKKBJWLI-OLZOCXBDSA-N 2 2 249.362 0.526 20 0 BCADLP Cn1cc(CC[N@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)nn1 ZINC000880140882 590942365 /nfs/dbraw/zinc/94/23/65/590942365.db2.gz DYAOZZLKKBJWLI-OLZOCXBDSA-N 2 2 249.362 0.526 20 0 BCADLP Cn1cc(CC[NH+]2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)nn1 ZINC000880140882 590942367 /nfs/dbraw/zinc/94/23/67/590942367.db2.gz DYAOZZLKKBJWLI-OLZOCXBDSA-N 2 2 249.362 0.526 20 0 BCADLP Cn1cc(CC[NH+]2CC[C@@H]3[C@@H]2CCC[N@H+]3C)nn1 ZINC000880140882 590942370 /nfs/dbraw/zinc/94/23/70/590942370.db2.gz DYAOZZLKKBJWLI-OLZOCXBDSA-N 2 2 249.362 0.526 20 0 BCADLP C[C@H](C(N)=O)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880469707 591052696 /nfs/dbraw/zinc/05/26/96/591052696.db2.gz DMWYHHAASRILGS-SNVBAGLBSA-N 2 2 225.336 0.420 20 0 BCADLP CC1([NH+]2CCC2)CC[NH+](CCOCCO)CC1 ZINC000880472937 591053006 /nfs/dbraw/zinc/05/30/06/591053006.db2.gz JJDOLPWKSYMLHX-UHFFFAOYSA-N 2 2 242.363 0.556 20 0 BCADLP CC1([NH+]2CCC2)CC[NH+](CCc2c[nH]nn2)CC1 ZINC000880475825 591053813 /nfs/dbraw/zinc/05/38/13/591053813.db2.gz YPXPMDCHTFFPOZ-UHFFFAOYSA-N 2 2 249.362 0.907 20 0 BCADLP CC1([NH+]2CCC2)CC[NH+](CCc2cn[nH]n2)CC1 ZINC000880475825 591053818 /nfs/dbraw/zinc/05/38/18/591053818.db2.gz YPXPMDCHTFFPOZ-UHFFFAOYSA-N 2 2 249.362 0.907 20 0 BCADLP C[NH2+]Cc1cn(Cc2cc[nH+]c(N(C)C)c2)nn1 ZINC000881367245 591197182 /nfs/dbraw/zinc/19/71/82/591197182.db2.gz WMHKLTLKSZVFRW-UHFFFAOYSA-N 2 2 246.318 0.507 20 0 BCADLP Cc1[nH+]cnc(NC[C@@]2(O)CC[N@@H+](C)C2)c1C ZINC000882191105 591314258 /nfs/dbraw/zinc/31/42/58/591314258.db2.gz WTVIPNXZPLXNAP-LBPRGKRZSA-N 2 2 236.319 0.572 20 0 BCADLP Cc1[nH+]cnc(NC[C@@]2(O)CC[N@H+](C)C2)c1C ZINC000882191105 591314260 /nfs/dbraw/zinc/31/42/60/591314260.db2.gz WTVIPNXZPLXNAP-LBPRGKRZSA-N 2 2 236.319 0.572 20 0 BCADLP CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000882486408 591361323 /nfs/dbraw/zinc/36/13/23/591361323.db2.gz KKIHJZDRFKPVRM-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000882486408 591361326 /nfs/dbraw/zinc/36/13/26/591361326.db2.gz KKIHJZDRFKPVRM-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000882486408 591361330 /nfs/dbraw/zinc/36/13/30/591361330.db2.gz KKIHJZDRFKPVRM-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000882486408 591361333 /nfs/dbraw/zinc/36/13/33/591361333.db2.gz KKIHJZDRFKPVRM-RYUDHWBXSA-N 2 2 239.363 0.681 20 0 BCADLP CC[N@@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000882491753 591370843 /nfs/dbraw/zinc/37/08/43/591370843.db2.gz LCZVPKXZRQNOLO-JTQLQIEISA-N 2 2 236.319 0.173 20 0 BCADLP CC[N@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000882491753 591370849 /nfs/dbraw/zinc/37/08/49/591370849.db2.gz LCZVPKXZRQNOLO-JTQLQIEISA-N 2 2 236.319 0.173 20 0 BCADLP CC(C)[N@@H+]1CCCC[C@@H]1CO[NH+]=C(N)CO ZINC000883012429 591512314 /nfs/dbraw/zinc/51/23/14/591512314.db2.gz FXRQBXZMWIVHJJ-SNVBAGLBSA-N 2 2 229.324 0.740 20 0 BCADLP CC(C)[N@H+]1CCCC[C@@H]1CO[NH+]=C(N)CO ZINC000883012429 591512317 /nfs/dbraw/zinc/51/23/17/591512317.db2.gz FXRQBXZMWIVHJJ-SNVBAGLBSA-N 2 2 229.324 0.740 20 0 BCADLP CO[C@H]1C[C@H](C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000883262941 591599530 /nfs/dbraw/zinc/59/95/30/591599530.db2.gz BDAOAZNDBLZTIA-DDHJBXDOSA-N 2 2 212.337 0.951 20 0 BCADLP CO[C@H]1C[C@H](C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000883262941 591599533 /nfs/dbraw/zinc/59/95/33/591599533.db2.gz BDAOAZNDBLZTIA-DDHJBXDOSA-N 2 2 212.337 0.951 20 0 BCADLP COC[C@H]1C[C@@H]([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000883316104 591612370 /nfs/dbraw/zinc/61/23/70/591612370.db2.gz KSKNATPXMFMXLC-WISYIIOYSA-N 2 2 212.337 0.951 20 0 BCADLP COC[C@H]1C[C@@H]([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000883316104 591612372 /nfs/dbraw/zinc/61/23/72/591612372.db2.gz KSKNATPXMFMXLC-WISYIIOYSA-N 2 2 212.337 0.951 20 0 BCADLP CCN1CC[C@@H]1C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000883354898 591626457 /nfs/dbraw/zinc/62/64/57/591626457.db2.gz DQHROURGEWQMBZ-IJLUTSLNSA-N 2 2 211.353 0.620 20 0 BCADLP CCN1CC[C@@H]1C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000883354898 591626460 /nfs/dbraw/zinc/62/64/60/591626460.db2.gz DQHROURGEWQMBZ-IJLUTSLNSA-N 2 2 211.353 0.620 20 0 BCADLP c1n[nH]cc1CC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000883433455 591664288 /nfs/dbraw/zinc/66/42/88/591664288.db2.gz QHRACDBDFFMJRZ-LBPRGKRZSA-N 2 2 220.320 0.780 20 0 BCADLP c1n[nH]cc1CC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000883433455 591664290 /nfs/dbraw/zinc/66/42/90/591664290.db2.gz QHRACDBDFFMJRZ-LBPRGKRZSA-N 2 2 220.320 0.780 20 0 BCADLP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000883450807 591671138 /nfs/dbraw/zinc/67/11/38/591671138.db2.gz YIPYQFRIKBJODO-VXGBXAGGSA-N 2 2 249.362 0.839 20 0 BCADLP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@H]1CCc2ncnn21 ZINC000883450807 591671141 /nfs/dbraw/zinc/67/11/41/591671141.db2.gz YIPYQFRIKBJODO-VXGBXAGGSA-N 2 2 249.362 0.839 20 0 BCADLP c1cn(CC[N@@H+]2CCC3(C2)OCCO3)c[nH+]1 ZINC000131907999 591676994 /nfs/dbraw/zinc/67/69/94/591676994.db2.gz QJZAHIRSPJQXNE-UHFFFAOYSA-N 2 2 223.276 0.332 20 0 BCADLP c1cn(CC[N@H+]2CCC3(C2)OCCO3)c[nH+]1 ZINC000131907999 591676996 /nfs/dbraw/zinc/67/69/96/591676996.db2.gz QJZAHIRSPJQXNE-UHFFFAOYSA-N 2 2 223.276 0.332 20 0 BCADLP CC[NH+]1CCC([NH2+]CC[S@](=O)CC)CC1 ZINC000133503319 591806896 /nfs/dbraw/zinc/80/68/96/591806896.db2.gz NYEWKCYGCGKCTF-HNNXBMFYSA-N 2 2 232.393 0.829 20 0 BCADLP Cc1cn(C(C)(C)C(=O)NC[C@H](C)C[NH3+])c[nH+]1 ZINC000884237414 591876411 /nfs/dbraw/zinc/87/64/11/591876411.db2.gz BQNCISSRKZAUNB-SECBINFHSA-N 2 2 238.335 0.638 20 0 BCADLP C[C@H](CCn1cccn1)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000134632445 591942922 /nfs/dbraw/zinc/94/29/22/591942922.db2.gz MKRHMBPOUVZHLN-VXGBXAGGSA-N 2 2 222.336 0.955 20 0 BCADLP C[C@H](CCn1cccn1)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000134632445 591942924 /nfs/dbraw/zinc/94/29/24/591942924.db2.gz MKRHMBPOUVZHLN-VXGBXAGGSA-N 2 2 222.336 0.955 20 0 BCADLP CCc1nc(NCC[N@@H+]2CC[C@H](O)C2)cc[nH+]1 ZINC000884568914 591983552 /nfs/dbraw/zinc/98/35/52/591983552.db2.gz YFPNFNTUBGWJSB-JTQLQIEISA-N 2 2 236.319 0.518 20 0 BCADLP CCc1nc(NCC[N@H+]2CC[C@H](O)C2)cc[nH+]1 ZINC000884568914 591983554 /nfs/dbraw/zinc/98/35/54/591983554.db2.gz YFPNFNTUBGWJSB-JTQLQIEISA-N 2 2 236.319 0.518 20 0 BCADLP CC(C)c1nc(NCC[N@H+](C)CCO)cc[nH+]1 ZINC000884824849 592022543 /nfs/dbraw/zinc/02/25/43/592022543.db2.gz RVGYIXGPWVYTDY-UHFFFAOYSA-N 2 2 238.335 0.936 20 0 BCADLP CC(C)c1nc(NCC[N@@H+](C)CCO)cc[nH+]1 ZINC000884824849 592022546 /nfs/dbraw/zinc/02/25/46/592022546.db2.gz RVGYIXGPWVYTDY-UHFFFAOYSA-N 2 2 238.335 0.936 20 0 BCADLP Cc1cnc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cn1 ZINC000216330291 592022796 /nfs/dbraw/zinc/02/27/96/592022796.db2.gz ZQJVTKMLXMTSMT-CABZTGNLSA-N 2 2 220.320 0.954 20 0 BCADLP Cc1cnc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cn1 ZINC000216330291 592022798 /nfs/dbraw/zinc/02/27/98/592022798.db2.gz ZQJVTKMLXMTSMT-CABZTGNLSA-N 2 2 220.320 0.954 20 0 BCADLP Cc1c[nH]nc1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000886173636 592169100 /nfs/dbraw/zinc/16/91/00/592169100.db2.gz VMYFAHKEMTUJMB-UHFFFAOYSA-N 2 2 246.318 0.763 20 0 BCADLP Cc1[nH]c(C2CC[NH+](CC(N)=O)CC2)[nH+]c1C ZINC000886670006 592298059 /nfs/dbraw/zinc/29/80/59/592298059.db2.gz HUCZQWPUGZHCPE-UHFFFAOYSA-N 2 2 236.319 0.691 20 0 BCADLP [NH3+]CC[N@H+](CCO)CCSC(F)(F)F ZINC000886832221 592352950 /nfs/dbraw/zinc/35/29/50/592352950.db2.gz DHKUQBLTEIWJCJ-UHFFFAOYSA-N 2 2 232.271 0.492 20 0 BCADLP [NH3+]CC[N@@H+](CCO)CCSC(F)(F)F ZINC000886832221 592352954 /nfs/dbraw/zinc/35/29/54/592352954.db2.gz DHKUQBLTEIWJCJ-UHFFFAOYSA-N 2 2 232.271 0.492 20 0 BCADLP O=C1OCC[C@@H]1[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872440 592377793 /nfs/dbraw/zinc/37/77/93/592377793.db2.gz SFAICVKAZDFXJA-AAEUAGOBSA-N 2 2 238.331 0.768 20 0 BCADLP O=C1OCC[C@@H]1[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872440 592377798 /nfs/dbraw/zinc/37/77/98/592377798.db2.gz SFAICVKAZDFXJA-AAEUAGOBSA-N 2 2 238.331 0.768 20 0 BCADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC(N)=O ZINC000887131478 592448725 /nfs/dbraw/zinc/44/87/25/592448725.db2.gz YJWKEQZIDVRSGS-SNVBAGLBSA-N 2 2 234.303 0.077 20 0 BCADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC(N)=O ZINC000887131478 592448730 /nfs/dbraw/zinc/44/87/30/592448730.db2.gz YJWKEQZIDVRSGS-SNVBAGLBSA-N 2 2 234.303 0.077 20 0 BCADLP C[NH+](CCCF)CC(O)C[N@H+](C)CCCF ZINC000887141063 592455226 /nfs/dbraw/zinc/45/52/26/592455226.db2.gz DUVSCWMAKGWYSU-UHFFFAOYSA-N 2 2 238.322 0.930 20 0 BCADLP C[NH+](CCCF)CC(O)C[N@@H+](C)CCCF ZINC000887141063 592455230 /nfs/dbraw/zinc/45/52/30/592455230.db2.gz DUVSCWMAKGWYSU-UHFFFAOYSA-N 2 2 238.322 0.930 20 0 BCADLP CC1CCN(C(=[NH2+])NCC[N@H+](C)CCO)CC1 ZINC000887324108 592481126 /nfs/dbraw/zinc/48/11/26/592481126.db2.gz RLJKJHLQMZAJMS-UHFFFAOYSA-N 2 2 242.367 0.167 20 0 BCADLP CC1CCN(C(=[NH2+])NCC[N@@H+](C)CCO)CC1 ZINC000887324108 592481128 /nfs/dbraw/zinc/48/11/28/592481128.db2.gz RLJKJHLQMZAJMS-UHFFFAOYSA-N 2 2 242.367 0.167 20 0 BCADLP Cn1c[nH+]c(CNC(=O)C[N@H+](C)C2CCC2)c1 ZINC000890104303 592680345 /nfs/dbraw/zinc/68/03/45/592680345.db2.gz JBWXCWCTMSNBEF-UHFFFAOYSA-N 2 2 236.319 0.521 20 0 BCADLP Cn1c[nH+]c(CNC(=O)C[N@@H+](C)C2CCC2)c1 ZINC000890104303 592680348 /nfs/dbraw/zinc/68/03/48/592680348.db2.gz JBWXCWCTMSNBEF-UHFFFAOYSA-N 2 2 236.319 0.521 20 0 BCADLP CCC[N@@H+](C)CC(=O)NCc1cn(C)c[nH+]1 ZINC000890113569 592684584 /nfs/dbraw/zinc/68/45/84/592684584.db2.gz ITXPHAAIIZMXJE-UHFFFAOYSA-N 2 2 224.308 0.378 20 0 BCADLP CCC[N@H+](C)CC(=O)NCc1cn(C)c[nH+]1 ZINC000890113569 592684582 /nfs/dbraw/zinc/68/45/82/592684582.db2.gz ITXPHAAIIZMXJE-UHFFFAOYSA-N 2 2 224.308 0.378 20 0 BCADLP C[C@H](C[NH2+][C@@H]1C[NH2+]CCOC1)CC(F)F ZINC000925713425 634417807 /nfs/dbraw/zinc/41/78/07/634417807.db2.gz RZVUYIFEBMUNHX-DTWKUNHWSA-N 2 2 222.279 0.856 20 0 BCADLP CC(C)([NH3+])CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925736604 634590119 /nfs/dbraw/zinc/59/01/19/634590119.db2.gz HXIFDBFHQMPPSL-NGDQXYMTSA-N 3 2 223.364 0.700 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CNOC2)[C@H](C)C1 ZINC000925864621 635564099 /nfs/dbraw/zinc/56/40/99/635564099.db2.gz JQZRJOIXJHUEAG-MXWKQRLJSA-N 2 2 213.325 0.210 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CNOC2)[C@H](C)C1 ZINC000925864621 635564101 /nfs/dbraw/zinc/56/41/01/635564101.db2.gz JQZRJOIXJHUEAG-MXWKQRLJSA-N 2 2 213.325 0.210 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCOC1CCOCC1 ZINC000925877299 635599895 /nfs/dbraw/zinc/59/98/95/635599895.db2.gz HSVHSFDQUMDVRM-DGCLKSJQSA-N 2 2 242.363 0.770 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCOC1CCOCC1 ZINC000925877298 635600418 /nfs/dbraw/zinc/60/04/18/635600418.db2.gz HSVHSFDQUMDVRM-AAEUAGOBSA-N 2 2 242.363 0.770 20 0 BCADLP CC[NH+](CC)CCC[N@@H+]1CC[C@@H]1CO ZINC000934015036 631606866 /nfs/dbraw/zinc/60/68/66/631606866.db2.gz QSJKWRKSHZLGCE-LLVKDONJSA-N 2 2 200.326 0.785 20 0 BCADLP CC[NH+](CC)CCC[N@H+]1CC[C@@H]1CO ZINC000934015036 631606869 /nfs/dbraw/zinc/60/68/69/631606869.db2.gz QSJKWRKSHZLGCE-LLVKDONJSA-N 2 2 200.326 0.785 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H]1CO ZINC000934019050 631618250 /nfs/dbraw/zinc/61/82/50/631618250.db2.gz LTUDMVYMVQXLTI-LLVKDONJSA-N 2 2 209.293 0.419 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H]1CO ZINC000934019050 631618245 /nfs/dbraw/zinc/61/82/45/631618245.db2.gz LTUDMVYMVQXLTI-LLVKDONJSA-N 2 2 209.293 0.419 20 0 BCADLP CC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972427043 632030934 /nfs/dbraw/zinc/03/09/34/632030934.db2.gz SOCKGYZJVDUXMY-LLVKDONJSA-N 2 2 236.319 0.505 20 0 BCADLP CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972427043 632030943 /nfs/dbraw/zinc/03/09/43/632030943.db2.gz SOCKGYZJVDUXMY-LLVKDONJSA-N 2 2 236.319 0.505 20 0 BCADLP CCOC[C@@H](O)C[N@@H+]1CCCC[C@H]1C[NH2+]C ZINC000250498099 635698241 /nfs/dbraw/zinc/69/82/41/635698241.db2.gz KHXBSQSOYTZLQR-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP CCOC[C@@H](O)C[N@H+]1CCCC[C@H]1C[NH2+]C ZINC000250498099 635698248 /nfs/dbraw/zinc/69/82/48/635698248.db2.gz KHXBSQSOYTZLQR-RYUDHWBXSA-N 2 2 230.352 0.458 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCOC[C@H](C)C1 ZINC000310537854 632755006 /nfs/dbraw/zinc/75/50/06/632755006.db2.gz PSJPIXUZUQLTGT-CHWSQXEVSA-N 2 2 244.379 0.656 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCOC[C@H](C)C1 ZINC000310537854 632755008 /nfs/dbraw/zinc/75/50/08/632755008.db2.gz PSJPIXUZUQLTGT-CHWSQXEVSA-N 2 2 244.379 0.656 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCOC[C@H](C)C1 ZINC000310537854 632755014 /nfs/dbraw/zinc/75/50/14/632755014.db2.gz PSJPIXUZUQLTGT-CHWSQXEVSA-N 2 2 244.379 0.656 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCOC[C@H](C)C1 ZINC000310537854 632755017 /nfs/dbraw/zinc/75/50/17/632755017.db2.gz PSJPIXUZUQLTGT-CHWSQXEVSA-N 2 2 244.379 0.656 20 0 BCADLP C[S@](=O)CCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000309294963 632899017 /nfs/dbraw/zinc/89/90/17/632899017.db2.gz WUFIDFJHUMIGJK-INIZCTEOSA-N 2 2 244.404 0.971 20 0 BCADLP OCCOCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924568445 632902478 /nfs/dbraw/zinc/90/24/78/632902478.db2.gz CJRQEDREMZIJGN-STQMWFEESA-N 2 2 242.363 0.602 20 0 BCADLP OCCOCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924568445 632902482 /nfs/dbraw/zinc/90/24/82/632902482.db2.gz CJRQEDREMZIJGN-STQMWFEESA-N 2 2 242.363 0.602 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](C)C[C@@H](O)CC(F)(F)F ZINC000307945614 633140973 /nfs/dbraw/zinc/14/09/73/633140973.db2.gz ZXWOISRTPKMFGM-RQJHMYQMSA-N 2 2 214.231 0.579 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@@H](O)CC(F)(F)F ZINC000307945614 633140979 /nfs/dbraw/zinc/14/09/79/633140979.db2.gz ZXWOISRTPKMFGM-RQJHMYQMSA-N 2 2 214.231 0.579 20 0 BCADLP FC1(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000309573396 633203011 /nfs/dbraw/zinc/20/30/11/633203011.db2.gz NTZRSFSLTUBAFP-GHMZBOCLSA-N 2 2 228.311 0.941 20 0 BCADLP FC1(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000309573396 633203012 /nfs/dbraw/zinc/20/30/12/633203012.db2.gz NTZRSFSLTUBAFP-GHMZBOCLSA-N 2 2 228.311 0.941 20 0 BCADLP CC1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000928558859 636101550 /nfs/dbraw/zinc/10/15/50/636101550.db2.gz FLPUMMJRLGBNTQ-GFCCVEGCSA-N 2 2 239.363 0.539 20 0 BCADLP CC1CC[NH+](CC(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000928558859 636101552 /nfs/dbraw/zinc/10/15/52/636101552.db2.gz FLPUMMJRLGBNTQ-GFCCVEGCSA-N 2 2 239.363 0.539 20 0 BCADLP C[N@H+](CCO)CCNc1nccn2c[nH+]cc12 ZINC000895242614 636126455 /nfs/dbraw/zinc/12/64/55/636126455.db2.gz VQTDISWLPIJGQL-UHFFFAOYSA-N 2 2 235.291 0.065 20 0 BCADLP C[N@@H+](CCO)CCNc1nccn2c[nH+]cc12 ZINC000895242614 636126458 /nfs/dbraw/zinc/12/64/58/636126458.db2.gz VQTDISWLPIJGQL-UHFFFAOYSA-N 2 2 235.291 0.065 20 0 BCADLP CCC(CC)(CCO)C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925527275 633912442 /nfs/dbraw/zinc/91/24/42/633912442.db2.gz NDHLVNFGKQILCT-GFCCVEGCSA-N 2 2 244.379 0.753 20 0 BCADLP CCS(=O)(=O)CC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000309461983 633922646 /nfs/dbraw/zinc/92/26/46/633922646.db2.gz PAOVUQQZPBDRGZ-JTQLQIEISA-N 2 2 236.381 0.384 20 0 BCADLP Cc1cn(C(C)(C)C(=O)NCC[NH+](C)C)c[nH+]1 ZINC000895470357 636149059 /nfs/dbraw/zinc/14/90/59/636149059.db2.gz VFADQBPHDQUBNC-UHFFFAOYSA-N 2 2 238.335 0.604 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H]1CCCO1 ZINC000309982872 634057359 /nfs/dbraw/zinc/05/73/59/634057359.db2.gz BOUXIIVUCVYSHA-STQMWFEESA-N 2 2 242.363 0.554 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H]1CCCO1 ZINC000309982872 634057365 /nfs/dbraw/zinc/05/73/65/634057365.db2.gz BOUXIIVUCVYSHA-STQMWFEESA-N 2 2 242.363 0.554 20 0 BCADLP CN1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1=O ZINC000925593709 634109472 /nfs/dbraw/zinc/10/94/72/634109472.db2.gz IFMXSMPIIFCGGH-GHMZBOCLSA-N 2 2 237.347 0.481 20 0 BCADLP CCC1(O)CCC([NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925616294 634160908 /nfs/dbraw/zinc/16/09/08/634160908.db2.gz QPSPYSNIEKLVDG-CPCZMJQVSA-N 2 2 242.363 0.648 20 0 BCADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2C[NH2+]CCOC2)CCO1 ZINC000925617938 634173335 /nfs/dbraw/zinc/17/33/35/634173335.db2.gz YAVKHLXQUNUQKC-AVGNSLFASA-N 2 2 242.363 0.768 20 0 BCADLP CC1(O)CCC([NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925621149 634179697 /nfs/dbraw/zinc/17/96/97/634179697.db2.gz CLWHZJQYZPRMFW-MOENNCHZSA-N 2 2 228.336 0.258 20 0 BCADLP COCC[C@@H](C)C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925687154 634301832 /nfs/dbraw/zinc/30/18/32/634301832.db2.gz ZLBNGWPEOZJVMV-GHMZBOCLSA-N 2 2 216.325 0.237 20 0 BCADLP C(C[NH2+][C@H]1C[NH2+]CCOC1)C[C@H]1CCOC1 ZINC000925687388 634303668 /nfs/dbraw/zinc/30/36/68/634303668.db2.gz JRLWFHRRGJWLAM-RYUDHWBXSA-N 2 2 228.336 0.381 20 0 BCADLP CC[NH2+]CCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925689180 634306890 /nfs/dbraw/zinc/30/68/90/634306890.db2.gz HEFFIKNHZDMVES-WDEREUQCSA-N 3 2 211.353 0.846 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925693064 634325209 /nfs/dbraw/zinc/32/52/09/634325209.db2.gz NYZULJNCAWEFSW-YDQFZURESA-N 3 2 235.375 0.700 20 0 BCADLP CC1(C)[C@@H]([NH2+]CC2C[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925699049 634366459 /nfs/dbraw/zinc/36/64/59/634366459.db2.gz MPXOWNFMHQBTCR-WOPDTQHZSA-N 3 2 223.364 0.572 20 0 BCADLP Cc1c[nH+]cn1CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896908143 636250416 /nfs/dbraw/zinc/25/04/16/636250416.db2.gz WRBFYBOSZGMGBD-UHFFFAOYSA-N 2 2 247.302 0.848 20 0 BCADLP O=C([C@@H]1CCC[NH2+]1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000169813035 636575602 /nfs/dbraw/zinc/57/56/02/636575602.db2.gz ZBUFXZWUHZCFBW-NSHDSACASA-N 2 2 248.330 0.868 20 0 BCADLP CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC000987059402 636620042 /nfs/dbraw/zinc/62/00/42/636620042.db2.gz QPEADOSVJCNYPK-GXSJLCMTSA-N 2 2 236.319 0.551 20 0 BCADLP CCN(C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000322161463 636811014 /nfs/dbraw/zinc/81/10/14/636811014.db2.gz JRPFTRDPZQGCHS-UHFFFAOYSA-N 2 2 228.340 0.071 20 0 BCADLP CON1CCC([NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000323080801 636896493 /nfs/dbraw/zinc/89/64/93/636896493.db2.gz UAGAGOPVGHWCSI-UHFFFAOYSA-N 2 2 229.368 0.942 20 0 BCADLP C([C@H]1CCC[NH2+]1)[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000903461807 637361860 /nfs/dbraw/zinc/36/18/60/637361860.db2.gz YKQQYCBDJQIWCC-GRYCIOLGSA-N 2 2 242.388 0.945 20 0 BCADLP C([C@H]1CCC[NH2+]1)[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000903461807 637361866 /nfs/dbraw/zinc/36/18/66/637361866.db2.gz YKQQYCBDJQIWCC-GRYCIOLGSA-N 2 2 242.388 0.945 20 0 BCADLP C([C@H]1CCC[NH2+]1)[N@@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC000903463551 637364979 /nfs/dbraw/zinc/36/49/79/637364979.db2.gz DEHPVHUYPFFUME-WOPDTQHZSA-N 2 2 210.321 0.992 20 0 BCADLP C([C@H]1CCC[NH2+]1)[N@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC000903463551 637364982 /nfs/dbraw/zinc/36/49/82/637364982.db2.gz DEHPVHUYPFFUME-WOPDTQHZSA-N 2 2 210.321 0.992 20 0 BCADLP Cn1ccc(C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)cc1=O ZINC000903553807 637371433 /nfs/dbraw/zinc/37/14/33/637371433.db2.gz ZUWJHAMUBJOYAN-NSHDSACASA-N 2 2 235.331 0.554 20 0 BCADLP Cn1ccc(C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)cc1=O ZINC000903553807 637371442 /nfs/dbraw/zinc/37/14/42/637371442.db2.gz ZUWJHAMUBJOYAN-NSHDSACASA-N 2 2 235.331 0.554 20 0 BCADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000903841657 637385039 /nfs/dbraw/zinc/38/50/39/637385039.db2.gz ZAJYSCOANQLJRA-YFKTTZPYSA-N 3 2 209.337 0.550 20 0 BCADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000903841657 637385045 /nfs/dbraw/zinc/38/50/45/637385045.db2.gz ZAJYSCOANQLJRA-YFKTTZPYSA-N 3 2 209.337 0.550 20 0 BCADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000903841656 637385233 /nfs/dbraw/zinc/38/52/33/637385233.db2.gz ZAJYSCOANQLJRA-QCNOEVLYSA-N 3 2 209.337 0.550 20 0 BCADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000903841656 637385238 /nfs/dbraw/zinc/38/52/38/637385238.db2.gz ZAJYSCOANQLJRA-QCNOEVLYSA-N 3 2 209.337 0.550 20 0 BCADLP Cn1c[nH+]cc1CCON=C(N)C[NH+](C)C ZINC000904437045 637404308 /nfs/dbraw/zinc/40/43/08/637404308.db2.gz IRFGDGUWRNUGII-UHFFFAOYSA-N 2 2 225.296 0.023 20 0 BCADLP [NH3+]C1(CNC(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000904460979 637420560 /nfs/dbraw/zinc/42/05/60/637420560.db2.gz CSXKKJOEBYQABM-UHFFFAOYSA-N 2 2 245.286 0.947 20 0 BCADLP CCC[C@@](C)([NH3+])c1nc(C2([NH3+])CC2)no1 ZINC000905314320 637741387 /nfs/dbraw/zinc/74/13/87/637741387.db2.gz GJFMCPSXMARDPB-SECBINFHSA-N 2 2 210.281 0.991 20 0 BCADLP CCC[C@](C)([NH3+])c1nc(C2([NH3+])CC2)no1 ZINC000905314321 637742348 /nfs/dbraw/zinc/74/23/48/637742348.db2.gz GJFMCPSXMARDPB-VIFPVBQESA-N 2 2 210.281 0.991 20 0 BCADLP C[NH2+]C(C)(C)c1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905814646 637942003 /nfs/dbraw/zinc/94/20/03/637942003.db2.gz CJQGJTBGYSILGU-UHFFFAOYSA-N 2 2 246.318 0.758 20 0 BCADLP CC[C@](C)([NH3+])c1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905817966 637943862 /nfs/dbraw/zinc/94/38/62/637943862.db2.gz XHGXACUWTPDGDV-LBPRGKRZSA-N 2 2 246.318 0.888 20 0 BCADLP [NH3+][C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000906517314 638187993 /nfs/dbraw/zinc/18/79/93/638187993.db2.gz MJRINECRKDOGCE-AULYBMBSSA-N 3 2 223.364 0.940 20 0 BCADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000908412757 638699227 /nfs/dbraw/zinc/69/92/27/638699227.db2.gz GPOACHBOPLUQFI-KOLCDFICSA-N 2 2 236.319 0.503 20 0 BCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H](C)[N@H+]1C ZINC000908435915 638713036 /nfs/dbraw/zinc/71/30/36/638713036.db2.gz LKQACBYFISFMIZ-AOOOYVTPSA-N 2 2 236.319 0.503 20 0 BCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H](C)[N@@H+]1C ZINC000908435915 638713039 /nfs/dbraw/zinc/71/30/39/638713039.db2.gz LKQACBYFISFMIZ-AOOOYVTPSA-N 2 2 236.319 0.503 20 0 BCADLP C[NH+](C)CC1CN(C(=O)CNc2cccc[nH+]2)C1 ZINC000908532879 639005067 /nfs/dbraw/zinc/00/50/67/639005067.db2.gz HLZKSWXEZNXJLP-UHFFFAOYSA-N 2 2 248.330 0.514 20 0 BCADLP C[NH+](C)C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000910926483 639540655 /nfs/dbraw/zinc/54/06/55/639540655.db2.gz CWXQSIXWZPZXMU-UHFFFAOYSA-N 2 2 222.292 0.163 20 0 BCADLP CC[NH+]1CCC(NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000712614185 711473562 /nfs/dbraw/zinc/47/35/62/711473562.db2.gz PSWKKSBGEGMUPF-LBPRGKRZSA-N 2 2 211.353 0.764 20 0 BCADLP CC[NH+]1CCC(NC[C@@H]2CC[N@H+]2C)CC1 ZINC000712614185 711473563 /nfs/dbraw/zinc/47/35/63/711473563.db2.gz PSWKKSBGEGMUPF-LBPRGKRZSA-N 2 2 211.353 0.764 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C[C@H]([NH3+])C(F)F ZINC000911684115 639726105 /nfs/dbraw/zinc/72/61/05/639726105.db2.gz LYBOJAVAHIZVDU-XHNCKOQMSA-N 2 2 249.305 0.697 20 0 BCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911673330 639734770 /nfs/dbraw/zinc/73/47/70/639734770.db2.gz LNLMZAXIXFTUOK-UWVGGRQHSA-N 2 2 236.319 0.457 20 0 BCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911673330 639734777 /nfs/dbraw/zinc/73/47/77/639734777.db2.gz LNLMZAXIXFTUOK-UWVGGRQHSA-N 2 2 236.319 0.457 20 0 BCADLP C[C@H](NC(=O)C[C@H]([NH3+])C(F)F)[C@H]1CCC[NH2+]C1 ZINC000911725665 639752367 /nfs/dbraw/zinc/75/23/67/639752367.db2.gz OFEIEQYPNNBLAE-CIUDSAMLSA-N 2 2 249.305 0.473 20 0 BCADLP C[NH2+][C@H]1CCCN(C(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC000911737653 639765203 /nfs/dbraw/zinc/76/52/03/639765203.db2.gz XYESXJPPFIREPK-JGVFFNPUSA-N 2 2 235.278 0.179 20 0 BCADLP [NH3+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000911731953 639786750 /nfs/dbraw/zinc/78/67/50/639786750.db2.gz ZWJDDZJGKDQABH-ZJUUUORDSA-N 2 2 234.303 0.005 20 0 BCADLP CCCN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CC[NH2+]C1 ZINC000911768446 639793588 /nfs/dbraw/zinc/79/35/88/639793588.db2.gz QPGGUVSNFQAGTM-SNVBAGLBSA-N 2 2 236.319 0.553 20 0 BCADLP C[NH2+]CC1CCN(C(=O)C[C@H]([NH3+])C(F)F)CC1 ZINC000911778269 639798824 /nfs/dbraw/zinc/79/88/24/639798824.db2.gz PFISSHJROAULNW-VIFPVBQESA-N 2 2 249.305 0.427 20 0 BCADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[NH2+]C1 ZINC000911789256 639806013 /nfs/dbraw/zinc/80/60/13/639806013.db2.gz UOCHMOJOTSZUEZ-JTQLQIEISA-N 2 2 244.298 0.997 20 0 BCADLP CC(C)C[C@H](C[NH3+])NC(=O)Cc1[nH]cc[nH+]1 ZINC000911811926 639832718 /nfs/dbraw/zinc/83/27/18/639832718.db2.gz DVIQPRXODABAMQ-SECBINFHSA-N 2 2 224.308 0.442 20 0 BCADLP C[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C(F)F)[C@@H]1C[NH3+] ZINC000911823367 639837461 /nfs/dbraw/zinc/83/74/61/639837461.db2.gz KBTYEFMAHNUWEK-HRDYMLBCSA-N 2 2 249.305 0.555 20 0 BCADLP C[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C(F)F)[C@@H]1C[NH3+] ZINC000911823368 639838413 /nfs/dbraw/zinc/83/84/13/639838413.db2.gz KBTYEFMAHNUWEK-IWSPIJDZSA-N 2 2 249.305 0.555 20 0 BCADLP C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C[NH3+] ZINC000911827208 639839901 /nfs/dbraw/zinc/83/99/01/639839901.db2.gz UTJZWLVXARVANW-VHSXEESVSA-N 2 2 236.319 0.538 20 0 BCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911836516 639846435 /nfs/dbraw/zinc/84/64/35/639846435.db2.gz ZMVWGEMCKGVOFL-MXWKQRLJSA-N 2 2 248.330 0.377 20 0 BCADLP COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1[nH]c(C)[nH+]c1C ZINC000930850084 639944825 /nfs/dbraw/zinc/94/48/25/639944825.db2.gz SLROYRITXKVMET-WDEREUQCSA-N 2 2 239.319 0.608 20 0 BCADLP COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1[nH]c(C)[nH+]c1C ZINC000930850084 639944830 /nfs/dbraw/zinc/94/48/30/639944830.db2.gz SLROYRITXKVMET-WDEREUQCSA-N 2 2 239.319 0.608 20 0 BCADLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC000912388924 640048392 /nfs/dbraw/zinc/04/83/92/640048392.db2.gz ZTSZHZOFBUAQJT-SECBINFHSA-N 2 2 224.308 0.409 20 0 BCADLP CC(C)OCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278885 640128366 /nfs/dbraw/zinc/12/83/66/640128366.db2.gz QKXQZVWPYYSJRB-GDNZZTSVSA-N 2 2 212.337 0.903 20 0 BCADLP CC(C)OCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278885 640128370 /nfs/dbraw/zinc/12/83/70/640128370.db2.gz QKXQZVWPYYSJRB-GDNZZTSVSA-N 2 2 212.337 0.903 20 0 BCADLP Cc1nnc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)o1 ZINC000931431056 640199973 /nfs/dbraw/zinc/19/99/73/640199973.db2.gz VOLIIAQGNKZVCK-MNOVXSKESA-N 2 2 236.319 0.762 20 0 BCADLP Cc1nnc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)o1 ZINC000931431056 640199977 /nfs/dbraw/zinc/19/99/77/640199977.db2.gz VOLIIAQGNKZVCK-MNOVXSKESA-N 2 2 236.319 0.762 20 0 BCADLP Cc1nnc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)o1 ZINC000931431056 640199981 /nfs/dbraw/zinc/19/99/81/640199981.db2.gz VOLIIAQGNKZVCK-MNOVXSKESA-N 2 2 236.319 0.762 20 0 BCADLP Cc1nnc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)o1 ZINC000931431056 640199984 /nfs/dbraw/zinc/19/99/84/640199984.db2.gz VOLIIAQGNKZVCK-MNOVXSKESA-N 2 2 236.319 0.762 20 0 BCADLP Cc1nonc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931439500 640207661 /nfs/dbraw/zinc/20/76/61/640207661.db2.gz XACBGDDUSMSUCF-MNOVXSKESA-N 2 2 236.319 0.762 20 0 BCADLP Cc1nonc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931439500 640207668 /nfs/dbraw/zinc/20/76/68/640207668.db2.gz XACBGDDUSMSUCF-MNOVXSKESA-N 2 2 236.319 0.762 20 0 BCADLP Cc1nonc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931439500 640207680 /nfs/dbraw/zinc/20/76/80/640207680.db2.gz XACBGDDUSMSUCF-MNOVXSKESA-N 2 2 236.319 0.762 20 0 BCADLP Cc1nonc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931439500 640207684 /nfs/dbraw/zinc/20/76/84/640207684.db2.gz XACBGDDUSMSUCF-MNOVXSKESA-N 2 2 236.319 0.762 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](CC[S@](C)=O)C[C@@H]2C1 ZINC000931439376 640208944 /nfs/dbraw/zinc/20/89/44/640208944.db2.gz VGDZMNIUOSLLSZ-ZETOZRRWSA-N 2 2 230.377 0.248 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](CC[S@](C)=O)C[C@@H]2C1 ZINC000931439376 640208953 /nfs/dbraw/zinc/20/89/53/640208953.db2.gz VGDZMNIUOSLLSZ-ZETOZRRWSA-N 2 2 230.377 0.248 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](CC[S@](C)=O)C[C@@H]2C1 ZINC000931439376 640208957 /nfs/dbraw/zinc/20/89/57/640208957.db2.gz VGDZMNIUOSLLSZ-ZETOZRRWSA-N 2 2 230.377 0.248 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](CC[S@](C)=O)C[C@@H]2C1 ZINC000931439376 640208959 /nfs/dbraw/zinc/20/89/59/640208959.db2.gz VGDZMNIUOSLLSZ-ZETOZRRWSA-N 2 2 230.377 0.248 20 0 BCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912906521 640234184 /nfs/dbraw/zinc/23/41/84/640234184.db2.gz GJZFIPMHGXGMEM-LLVKDONJSA-N 2 2 234.303 0.190 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912915685 640239077 /nfs/dbraw/zinc/23/90/77/640239077.db2.gz IVEPKKGHAKIFRM-LBPRGKRZSA-N 2 2 248.330 0.580 20 0 BCADLP CCOC(=O)CC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931510065 640240187 /nfs/dbraw/zinc/24/01/87/640240187.db2.gz RHKUEYYABPWIDT-UHFFFAOYSA-N 2 2 249.314 0.975 20 0 BCADLP CCOC(=O)CC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931510065 640240192 /nfs/dbraw/zinc/24/01/92/640240192.db2.gz RHKUEYYABPWIDT-UHFFFAOYSA-N 2 2 249.314 0.975 20 0 BCADLP Nc1cc[nH+]c2c1C[N@H+](C[C@@H](O)C1CC1)CC2 ZINC000931515275 640246656 /nfs/dbraw/zinc/24/66/56/640246656.db2.gz CVHLMEZBMFBJHA-CYBMUJFWSA-N 2 2 233.315 0.793 20 0 BCADLP Nc1cc[nH+]c2c1C[N@@H+](C[C@@H](O)C1CC1)CC2 ZINC000931515275 640246663 /nfs/dbraw/zinc/24/66/63/640246663.db2.gz CVHLMEZBMFBJHA-CYBMUJFWSA-N 2 2 233.315 0.793 20 0 BCADLP Cc1[nH]c(C[NH2+][C@@H]2C(=O)NCC2(C)C)c(C)[nH+]1 ZINC000931654164 640302154 /nfs/dbraw/zinc/30/21/54/640302154.db2.gz YXXIXWZOZFERQH-SNVBAGLBSA-N 2 2 236.319 0.641 20 0 BCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC000913536970 640384891 /nfs/dbraw/zinc/38/48/91/640384891.db2.gz SNTVHJWVKDVIFB-TXEJJXNPSA-N 2 2 248.330 0.578 20 0 BCADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC000913536970 640384893 /nfs/dbraw/zinc/38/48/93/640384893.db2.gz SNTVHJWVKDVIFB-TXEJJXNPSA-N 2 2 248.330 0.578 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030155671 640638599 /nfs/dbraw/zinc/63/85/99/640638599.db2.gz QBMRPWSCHLEGRZ-NSHDSACASA-N 2 2 243.326 0.241 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030155671 640638604 /nfs/dbraw/zinc/63/86/04/640638604.db2.gz QBMRPWSCHLEGRZ-NSHDSACASA-N 2 2 243.326 0.241 20 0 BCADLP CC(C)(C[NH3+])C(=O)NCCc1[nH]cc[nH+]1 ZINC000157258715 640652037 /nfs/dbraw/zinc/65/20/37/640652037.db2.gz DSZWOFGUUDCVIP-UHFFFAOYSA-N 2 2 210.281 0.053 20 0 BCADLP CC[N@H+](CCCn1cc[nH+]c1)CCC(=O)NC ZINC000933864453 640776422 /nfs/dbraw/zinc/77/64/22/640776422.db2.gz VSSBYEXCXQYXJB-UHFFFAOYSA-N 2 2 238.335 0.731 20 0 BCADLP CC[N@@H+](CCCn1cc[nH+]c1)CCC(=O)NC ZINC000933864453 640776425 /nfs/dbraw/zinc/77/64/25/640776425.db2.gz VSSBYEXCXQYXJB-UHFFFAOYSA-N 2 2 238.335 0.731 20 0 BCADLP CCOC[C@H](O)C[N@@H+]1CCC[C@@H]1C[NH2+]C ZINC000227728897 640846691 /nfs/dbraw/zinc/84/66/91/640846691.db2.gz JYWKXTBBDWCCDW-GHMZBOCLSA-N 2 2 216.325 0.068 20 0 BCADLP CCOC[C@H](O)C[N@H+]1CCC[C@@H]1C[NH2+]C ZINC000227728897 640846693 /nfs/dbraw/zinc/84/66/93/640846693.db2.gz JYWKXTBBDWCCDW-GHMZBOCLSA-N 2 2 216.325 0.068 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000228856081 640900382 /nfs/dbraw/zinc/90/03/82/640900382.db2.gz VCQBHAIJSWOVHT-DDHJBXDOSA-N 2 2 242.363 0.502 20 0 BCADLP Cc1cnc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cn1 ZINC000061321495 640952974 /nfs/dbraw/zinc/95/29/74/640952974.db2.gz ZQJVTKMLXMTSMT-BXKDBHETSA-N 2 2 220.320 0.954 20 0 BCADLP Cc1cnc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cn1 ZINC000061321495 640952976 /nfs/dbraw/zinc/95/29/76/640952976.db2.gz ZQJVTKMLXMTSMT-BXKDBHETSA-N 2 2 220.320 0.954 20 0 BCADLP CC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001030963646 641526764 /nfs/dbraw/zinc/52/67/64/641526764.db2.gz PDCFLPTXWMWKOJ-MWLCHTKSSA-N 2 2 225.336 0.004 20 0 BCADLP CC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001030963646 641526770 /nfs/dbraw/zinc/52/67/70/641526770.db2.gz PDCFLPTXWMWKOJ-MWLCHTKSSA-N 2 2 225.336 0.004 20 0 BCADLP CCC[C@](C)([NH3+])C(=O)NCCc1[nH]cc[nH+]1 ZINC000158549895 641638829 /nfs/dbraw/zinc/63/88/29/641638829.db2.gz AONBSRCPBKMMCL-NSHDSACASA-N 2 2 224.308 0.586 20 0 BCADLP CCC[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031389890 642058029 /nfs/dbraw/zinc/05/80/29/642058029.db2.gz FGJUNHMYAWVMCR-UHFFFAOYSA-N 2 2 225.336 0.293 20 0 BCADLP CC[NH+]1CC(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001031431075 642134978 /nfs/dbraw/zinc/13/49/78/642134978.db2.gz BQHNALCULQAYEJ-PHIMTYICSA-N 2 2 239.363 0.680 20 0 BCADLP CC[NH+]1CC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001031431075 642134983 /nfs/dbraw/zinc/13/49/83/642134983.db2.gz BQHNALCULQAYEJ-PHIMTYICSA-N 2 2 239.363 0.680 20 0 BCADLP CCCC[NH+]1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001031476867 642199048 /nfs/dbraw/zinc/19/90/48/642199048.db2.gz JPTWTGNFWXGMKD-UHFFFAOYSA-N 2 2 236.319 0.484 20 0 BCADLP C[NH2+]C1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000307940237 642350260 /nfs/dbraw/zinc/35/02/60/642350260.db2.gz MSVRWFCTSCVNMC-VIFPVBQESA-N 2 2 240.269 0.984 20 0 BCADLP CCCC[N@@H+](CCO)C[C@H]1CCC[NH2+]1 ZINC000232959977 642638906 /nfs/dbraw/zinc/63/89/06/642638906.db2.gz WLFFDFFXMXLQEI-LLVKDONJSA-N 2 2 200.326 0.833 20 0 BCADLP CCCC[N@H+](CCO)C[C@H]1CCC[NH2+]1 ZINC000232959977 642638900 /nfs/dbraw/zinc/63/89/00/642638900.db2.gz WLFFDFFXMXLQEI-LLVKDONJSA-N 2 2 200.326 0.833 20 0 BCADLP CC[NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000962467683 642729626 /nfs/dbraw/zinc/72/96/26/642729626.db2.gz VYGPGXMGAUABBA-UHFFFAOYSA-N 2 2 236.319 0.457 20 0 BCADLP CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000968976334 642821758 /nfs/dbraw/zinc/82/17/58/642821758.db2.gz FQBWFZTZCHPHFF-GMTAPVOTSA-N 2 2 248.330 0.724 20 0 BCADLP CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000968976334 642821762 /nfs/dbraw/zinc/82/17/62/642821762.db2.gz FQBWFZTZCHPHFF-GMTAPVOTSA-N 2 2 248.330 0.724 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCF)C1 ZINC001010383128 642862038 /nfs/dbraw/zinc/86/20/38/642862038.db2.gz RKJQDUCYKBIQFW-MNOVXSKESA-N 2 2 243.326 0.241 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCF)C1 ZINC001010383128 642862039 /nfs/dbraw/zinc/86/20/39/642862039.db2.gz RKJQDUCYKBIQFW-MNOVXSKESA-N 2 2 243.326 0.241 20 0 BCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001010383128 642862043 /nfs/dbraw/zinc/86/20/43/642862043.db2.gz RKJQDUCYKBIQFW-MNOVXSKESA-N 2 2 243.326 0.241 20 0 BCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001010383128 642862044 /nfs/dbraw/zinc/86/20/44/642862044.db2.gz RKJQDUCYKBIQFW-MNOVXSKESA-N 2 2 243.326 0.241 20 0 BCADLP CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000939396203 642868994 /nfs/dbraw/zinc/86/89/94/642868994.db2.gz CCBUNQAMWSSKSP-NXEZZACHSA-N 2 2 236.319 0.409 20 0 BCADLP CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016001099 642941060 /nfs/dbraw/zinc/94/10/60/642941060.db2.gz IDHASCZCUYCUNK-JTQLQIEISA-N 2 2 236.319 0.173 20 0 BCADLP CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016001099 642941065 /nfs/dbraw/zinc/94/10/65/642941065.db2.gz IDHASCZCUYCUNK-JTQLQIEISA-N 2 2 236.319 0.173 20 0 BCADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016399473 642958949 /nfs/dbraw/zinc/95/89/49/642958949.db2.gz LACOYSBKYBBJDL-LLVKDONJSA-N 2 2 236.319 0.482 20 0 BCADLP CC(C)[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016399473 642958961 /nfs/dbraw/zinc/95/89/61/642958961.db2.gz LACOYSBKYBBJDL-LLVKDONJSA-N 2 2 236.319 0.482 20 0 BCADLP CC[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001018784889 643009489 /nfs/dbraw/zinc/00/94/89/643009489.db2.gz QVNXRCWEKAUFCU-JTQLQIEISA-N 2 2 236.319 0.553 20 0 BCADLP CNC(=O)[C@@H](C)C[N@H+](C)C[C@H]1CCC[NH2+]1 ZINC000234360105 643082612 /nfs/dbraw/zinc/08/26/12/643082612.db2.gz MTUYRJWFWPORTP-VHSXEESVSA-N 2 2 213.325 0.052 20 0 BCADLP CNC(=O)[C@@H](C)C[N@@H+](C)C[C@H]1CCC[NH2+]1 ZINC000234360105 643082615 /nfs/dbraw/zinc/08/26/15/643082615.db2.gz MTUYRJWFWPORTP-VHSXEESVSA-N 2 2 213.325 0.052 20 0 BCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]CC2CC2)C1 ZINC000970104009 643295809 /nfs/dbraw/zinc/29/58/09/643295809.db2.gz XOWRNUZQXACCEL-LLVKDONJSA-N 2 2 248.330 0.553 20 0 BCADLP CC[N@H+](CCC(N)=O)CCc1c[nH+]cn1C ZINC000932479632 643305768 /nfs/dbraw/zinc/30/57/68/643305768.db2.gz HIFKFGXXBZZCNF-UHFFFAOYSA-N 2 2 224.308 0.160 20 0 BCADLP CC[N@@H+](CCC(N)=O)CCc1c[nH+]cn1C ZINC000932479632 643305772 /nfs/dbraw/zinc/30/57/72/643305772.db2.gz HIFKFGXXBZZCNF-UHFFFAOYSA-N 2 2 224.308 0.160 20 0 BCADLP CC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001020930454 643341333 /nfs/dbraw/zinc/34/13/33/643341333.db2.gz UMTLPRSLTKAFJW-MGCOHNPYSA-N 2 2 236.319 0.219 20 0 BCADLP CCS(=O)(=O)CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000082645444 643362979 /nfs/dbraw/zinc/36/29/79/643362979.db2.gz ZDFIWCGQGHXHHN-GHMZBOCLSA-N 2 2 248.392 0.480 20 0 BCADLP CCS(=O)(=O)CC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000082645444 643362987 /nfs/dbraw/zinc/36/29/87/643362987.db2.gz ZDFIWCGQGHXHHN-GHMZBOCLSA-N 2 2 248.392 0.480 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000082681391 643366807 /nfs/dbraw/zinc/36/68/07/643366807.db2.gz VSCJZAMNIHYDEM-YUMQZZPRSA-N 2 2 226.242 0.451 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000082681391 643366809 /nfs/dbraw/zinc/36/68/09/643366809.db2.gz VSCJZAMNIHYDEM-YUMQZZPRSA-N 2 2 226.242 0.451 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]CC2CC2)C1 ZINC001021126600 643405696 /nfs/dbraw/zinc/40/56/96/643405696.db2.gz SNOJNWJNVPXSOJ-HAQNSBGRSA-N 2 2 248.330 0.530 20 0 BCADLP CC(C)[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001021129737 643408405 /nfs/dbraw/zinc/40/84/05/643408405.db2.gz HMEQSNISBLXEPX-XYPYZODXSA-N 2 2 236.319 0.528 20 0 BCADLP Cc1cc(NCC[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000043532150 643528718 /nfs/dbraw/zinc/52/87/18/643528718.db2.gz WTLFGZCSAYGFNQ-UHFFFAOYSA-N 2 2 237.307 0.111 20 0 BCADLP CC[N@@H+]1CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC000922157891 643879575 /nfs/dbraw/zinc/87/95/75/643879575.db2.gz HEXASSHZGODZBY-JTQLQIEISA-N 2 2 236.319 0.471 20 0 BCADLP CC[N@H+]1CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC000922157891 643879577 /nfs/dbraw/zinc/87/95/77/643879577.db2.gz HEXASSHZGODZBY-JTQLQIEISA-N 2 2 236.319 0.471 20 0 BCADLP CCOCCOCC[N@H+](C)[C@H](C)C[NH3+] ZINC000923289429 644321957 /nfs/dbraw/zinc/32/19/57/644321957.db2.gz ILKMBUXAOFZSJW-SNVBAGLBSA-N 2 2 204.314 0.319 20 0 BCADLP CCOCCOCC[N@@H+](C)[C@H](C)C[NH3+] ZINC000923289429 644321965 /nfs/dbraw/zinc/32/19/65/644321965.db2.gz ILKMBUXAOFZSJW-SNVBAGLBSA-N 2 2 204.314 0.319 20 0 BCADLP CCC[N@H+](C[C@H](O)CSC)[C@@H]1CC[NH2+]C1 ZINC000923283563 644309466 /nfs/dbraw/zinc/30/94/66/644309466.db2.gz BYUUMBZTURCCGG-MNOVXSKESA-N 2 2 232.393 0.784 20 0 BCADLP CCC[N@@H+](C[C@H](O)CSC)[C@@H]1CC[NH2+]C1 ZINC000923283563 644309471 /nfs/dbraw/zinc/30/94/71/644309471.db2.gz BYUUMBZTURCCGG-MNOVXSKESA-N 2 2 232.393 0.784 20 0 BCADLP CCOCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000923280470 644313879 /nfs/dbraw/zinc/31/38/79/644313879.db2.gz IVAHTPYCBHBPSC-VXGBXAGGSA-N 2 2 230.352 0.587 20 0 BCADLP CCOCC[C@@H](O)C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000923280470 644313882 /nfs/dbraw/zinc/31/38/82/644313882.db2.gz IVAHTPYCBHBPSC-VXGBXAGGSA-N 2 2 230.352 0.587 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923288725 644324414 /nfs/dbraw/zinc/32/44/14/644324414.db2.gz BZAYCYNDUHIDIC-NSHDSACASA-N 3 2 211.353 0.670 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923288725 644324418 /nfs/dbraw/zinc/32/44/18/644324418.db2.gz BZAYCYNDUHIDIC-NSHDSACASA-N 3 2 211.353 0.670 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)C[C@H](O)COc1ccccc1 ZINC000923290894 644327185 /nfs/dbraw/zinc/32/71/85/644327185.db2.gz PBRBESUVPOHXQS-RYUDHWBXSA-N 2 2 238.331 0.705 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@H](O)COc1ccccc1 ZINC000923290894 644327192 /nfs/dbraw/zinc/32/71/92/644327192.db2.gz PBRBESUVPOHXQS-RYUDHWBXSA-N 2 2 238.331 0.705 20 0 BCADLP CC(C)COC[C@@H](O)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000923293036 644327962 /nfs/dbraw/zinc/32/79/62/644327962.db2.gz PDXFMSZNGRKWQO-NEPJUHHUSA-N 2 2 230.352 0.443 20 0 BCADLP CC(C)COC[C@@H](O)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000923293036 644327965 /nfs/dbraw/zinc/32/79/65/644327965.db2.gz PDXFMSZNGRKWQO-NEPJUHHUSA-N 2 2 230.352 0.443 20 0 BCADLP CC(C)COC[C@@H](O)C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000923293038 644329186 /nfs/dbraw/zinc/32/91/86/644329186.db2.gz PDXFMSZNGRKWQO-RYUDHWBXSA-N 2 2 230.352 0.443 20 0 BCADLP CC(C)COC[C@@H](O)C[N@H+]1CCC[C@H]1C[NH3+] ZINC000923293038 644329192 /nfs/dbraw/zinc/32/91/92/644329192.db2.gz PDXFMSZNGRKWQO-RYUDHWBXSA-N 2 2 230.352 0.443 20 0 BCADLP C[N@@H+](Cc1ccon1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923317053 644343824 /nfs/dbraw/zinc/34/38/24/644343824.db2.gz SRKISXRSJKLIQG-NSHDSACASA-N 2 2 237.303 0.485 20 0 BCADLP C[N@H+](Cc1ccon1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923317053 644343828 /nfs/dbraw/zinc/34/38/28/644343828.db2.gz SRKISXRSJKLIQG-NSHDSACASA-N 2 2 237.303 0.485 20 0 BCADLP C[N@@H+](Cc1ccon1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923317052 644344709 /nfs/dbraw/zinc/34/47/09/644344709.db2.gz SRKISXRSJKLIQG-LLVKDONJSA-N 2 2 237.303 0.485 20 0 BCADLP C[N@H+](Cc1ccon1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923317052 644344720 /nfs/dbraw/zinc/34/47/20/644344720.db2.gz SRKISXRSJKLIQG-LLVKDONJSA-N 2 2 237.303 0.485 20 0 BCADLP CC(C)CC[C@@H](O)C[N@H+](CC[NH3+])CCO ZINC000923330546 644349398 /nfs/dbraw/zinc/34/93/98/644349398.db2.gz ADSBQLWESNZKDY-LLVKDONJSA-N 2 2 218.341 0.037 20 0 BCADLP CC(C)CC[C@@H](O)C[N@@H+](CC[NH3+])CCO ZINC000923330546 644349403 /nfs/dbraw/zinc/34/94/03/644349403.db2.gz ADSBQLWESNZKDY-LLVKDONJSA-N 2 2 218.341 0.037 20 0 BCADLP CCOCC[C@H](O)C[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000923329398 644349771 /nfs/dbraw/zinc/34/97/71/644349771.db2.gz IFSBBBYTBAHWTC-STQMWFEESA-N 2 2 242.363 0.600 20 0 BCADLP CCOCC[C@H](O)C[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000923329398 644349775 /nfs/dbraw/zinc/34/97/75/644349775.db2.gz IFSBBBYTBAHWTC-STQMWFEESA-N 2 2 242.363 0.600 20 0 BCADLP C[N@H+](CCC[NH2+]C1CC1)Cc1cn[nH]c1 ZINC000923324173 644352332 /nfs/dbraw/zinc/35/23/32/644352332.db2.gz CWHODEWXSKTUIU-UHFFFAOYSA-N 2 2 208.309 0.984 20 0 BCADLP C[N@@H+](CCC[NH2+]C1CC1)Cc1cn[nH]c1 ZINC000923324173 644352335 /nfs/dbraw/zinc/35/23/35/644352335.db2.gz CWHODEWXSKTUIU-UHFFFAOYSA-N 2 2 208.309 0.984 20 0 BCADLP CCOCC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923367073 644378714 /nfs/dbraw/zinc/37/87/14/644378714.db2.gz ROAFBTPYROMYQK-OUAUKWLOSA-N 2 2 216.325 0.053 20 0 BCADLP CCOCC[C@H](O)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923367073 644378718 /nfs/dbraw/zinc/37/87/18/644378718.db2.gz ROAFBTPYROMYQK-OUAUKWLOSA-N 2 2 216.325 0.053 20 0 BCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000923364943 644375857 /nfs/dbraw/zinc/37/58/57/644375857.db2.gz AZZQGQZSLHZRHO-QJPTWQEYSA-N 2 2 230.352 0.299 20 0 BCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000923364943 644375862 /nfs/dbraw/zinc/37/58/62/644375862.db2.gz AZZQGQZSLHZRHO-QJPTWQEYSA-N 2 2 230.352 0.299 20 0 BCADLP CCOCC[C@@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923367865 644377130 /nfs/dbraw/zinc/37/71/30/644377130.db2.gz JWTCLHRWOOBLDA-AXFHLTTASA-N 2 2 216.325 0.195 20 0 BCADLP CCOCC[C@@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923367865 644377135 /nfs/dbraw/zinc/37/71/35/644377135.db2.gz JWTCLHRWOOBLDA-AXFHLTTASA-N 2 2 216.325 0.195 20 0 BCADLP CC(C)OCC[C@H](O)C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000923366452 644377976 /nfs/dbraw/zinc/37/79/76/644377976.db2.gz MPUBIPWVORBDHZ-SRVKXCTJSA-N 2 2 230.352 0.441 20 0 BCADLP CC(C)OCC[C@H](O)C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000923366452 644377979 /nfs/dbraw/zinc/37/79/79/644377979.db2.gz MPUBIPWVORBDHZ-SRVKXCTJSA-N 2 2 230.352 0.441 20 0 BCADLP CCC[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923370146 644380291 /nfs/dbraw/zinc/38/02/91/644380291.db2.gz CMENYPNRPRHXFZ-BJDJZHNGSA-N 2 2 228.336 0.338 20 0 BCADLP CCC[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923370146 644380298 /nfs/dbraw/zinc/38/02/98/644380298.db2.gz CMENYPNRPRHXFZ-BJDJZHNGSA-N 2 2 228.336 0.338 20 0 BCADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@H](O)C(F)(F)F ZINC000923368819 644381660 /nfs/dbraw/zinc/38/16/60/644381660.db2.gz UBWCZGFLERTROT-RQJHMYQMSA-N 2 2 228.258 0.873 20 0 BCADLP [NH3+]CC(C[NH3+])NCC[C@H]1CC1(Cl)Cl ZINC000923359499 644383052 /nfs/dbraw/zinc/38/30/52/644383052.db2.gz RVUCXNZSHOJVFW-LURJTMIESA-N 2 2 226.151 0.446 20 0 BCADLP COC(=O)c1cncc(C[N@H+](C)C2CC([NH3+])C2)c1 ZINC000923362663 644386949 /nfs/dbraw/zinc/38/69/49/644386949.db2.gz MFYZCFFYQDLLIZ-UHFFFAOYSA-N 2 2 249.314 0.790 20 0 BCADLP COC(=O)c1cncc(C[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000923362663 644386954 /nfs/dbraw/zinc/38/69/54/644386954.db2.gz MFYZCFFYQDLLIZ-UHFFFAOYSA-N 2 2 249.314 0.790 20 0 BCADLP CSC[C@@H](O)C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923379771 644391284 /nfs/dbraw/zinc/39/12/84/644391284.db2.gz LYFHHUZMJJPNPF-QWRGUYRKSA-N 2 2 230.377 0.538 20 0 BCADLP CSC[C@@H](O)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923379771 644391288 /nfs/dbraw/zinc/39/12/88/644391288.db2.gz LYFHHUZMJJPNPF-QWRGUYRKSA-N 2 2 230.377 0.538 20 0 BCADLP CC(C)OC[C@H](O)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000923390702 644396307 /nfs/dbraw/zinc/39/63/07/644396307.db2.gz KKSCOQFBBHAUAX-MOENNCHZSA-N 2 2 228.336 0.195 20 0 BCADLP CC(C)OC[C@H](O)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000923390702 644396314 /nfs/dbraw/zinc/39/63/14/644396314.db2.gz KKSCOQFBBHAUAX-MOENNCHZSA-N 2 2 228.336 0.195 20 0 BCADLP CCO[C@@H]1C[N@H+](CCC[NH2+]C2CC2)C[C@H]1C[NH3+] ZINC000923386952 644399516 /nfs/dbraw/zinc/39/95/16/644399516.db2.gz LUEXWEFVSKQJPJ-DGCLKSJQSA-N 3 2 241.379 0.424 20 0 BCADLP CCO[C@@H]1C[N@@H+](CCC[NH2+]C2CC2)C[C@H]1C[NH3+] ZINC000923386952 644399521 /nfs/dbraw/zinc/39/95/21/644399521.db2.gz LUEXWEFVSKQJPJ-DGCLKSJQSA-N 3 2 241.379 0.424 20 0 BCADLP CSC[C@@H](O)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000923392533 644400346 /nfs/dbraw/zinc/40/03/46/644400346.db2.gz YAUHEQCDAUZMFN-KYHHOPLUSA-N 2 2 216.350 0.133 20 0 BCADLP CSC[C@@H](O)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000923392533 644400352 /nfs/dbraw/zinc/40/03/52/644400352.db2.gz YAUHEQCDAUZMFN-KYHHOPLUSA-N 2 2 216.350 0.133 20 0 BCADLP CC[N@H+](CC[NH3+])C[C@@H](O)CCOC(C)C ZINC000923401184 644407269 /nfs/dbraw/zinc/40/72/69/644407269.db2.gz KUTWYFQVMVWSAR-NSHDSACASA-N 2 2 218.341 0.443 20 0 BCADLP CC[N@@H+](CC[NH3+])C[C@@H](O)CCOC(C)C ZINC000923401184 644407272 /nfs/dbraw/zinc/40/72/72/644407272.db2.gz KUTWYFQVMVWSAR-NSHDSACASA-N 2 2 218.341 0.443 20 0 BCADLP CC[N@H+](CC[NH3+])C[C@H](O)COCC(C)C ZINC000923402516 644406230 /nfs/dbraw/zinc/40/62/30/644406230.db2.gz XECCEEXPBZBBFG-NSHDSACASA-N 2 2 218.341 0.301 20 0 BCADLP CC[N@@H+](CC[NH3+])C[C@H](O)COCC(C)C ZINC000923402516 644406236 /nfs/dbraw/zinc/40/62/36/644406236.db2.gz XECCEEXPBZBBFG-NSHDSACASA-N 2 2 218.341 0.301 20 0 BCADLP CC[N@H+](CC[NH3+])C[C@H](O)COc1ccccc1 ZINC000923401799 644407479 /nfs/dbraw/zinc/40/74/79/644407479.db2.gz QNTMYBLQVKTIQH-LBPRGKRZSA-N 2 2 238.331 0.707 20 0 BCADLP CC[N@@H+](CC[NH3+])C[C@H](O)COc1ccccc1 ZINC000923401799 644407481 /nfs/dbraw/zinc/40/74/81/644407481.db2.gz QNTMYBLQVKTIQH-LBPRGKRZSA-N 2 2 238.331 0.707 20 0 BCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000923411242 644413271 /nfs/dbraw/zinc/41/32/71/644413271.db2.gz AXANPBVPYAUMAE-QJPTWQEYSA-N 2 2 230.352 0.441 20 0 BCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000923411242 644413276 /nfs/dbraw/zinc/41/32/76/644413276.db2.gz AXANPBVPYAUMAE-QJPTWQEYSA-N 2 2 230.352 0.441 20 0 BCADLP CC(C)OCC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000923412136 644413541 /nfs/dbraw/zinc/41/35/41/644413541.db2.gz HCJGDCCOGJLWSX-TUAOUCFPSA-N 2 2 230.352 0.584 20 0 BCADLP CC(C)OCC[C@H](O)C[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000923412136 644413544 /nfs/dbraw/zinc/41/35/44/644413544.db2.gz HCJGDCCOGJLWSX-TUAOUCFPSA-N 2 2 230.352 0.584 20 0 BCADLP CO[C@@H]1C[N@H+](C[C@@H](O)CSC)[C@@](C)(C[NH3+])C1 ZINC000923412168 644414871 /nfs/dbraw/zinc/41/48/71/644414871.db2.gz PSWBVJTUWOICFV-OUAUKWLOSA-N 2 2 248.392 0.148 20 0 BCADLP CO[C@@H]1C[N@@H+](C[C@@H](O)CSC)[C@@](C)(C[NH3+])C1 ZINC000923412168 644414877 /nfs/dbraw/zinc/41/48/77/644414877.db2.gz PSWBVJTUWOICFV-OUAUKWLOSA-N 2 2 248.392 0.148 20 0 BCADLP CC1(C)C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H]1[NH3+] ZINC000923432312 644426410 /nfs/dbraw/zinc/42/64/10/644426410.db2.gz KOHRBHXBIQHBGM-GHMZBOCLSA-N 3 2 239.363 0.034 20 0 BCADLP CC1(C)C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H]1[NH3+] ZINC000923432312 644426413 /nfs/dbraw/zinc/42/64/13/644426413.db2.gz KOHRBHXBIQHBGM-GHMZBOCLSA-N 3 2 239.363 0.034 20 0 BCADLP CC(C)(C)[C@@H]1C[C@H]1N1CC[NH2+]CC[NH2+]CC1 ZINC000923461312 644445214 /nfs/dbraw/zinc/44/52/14/644445214.db2.gz VVPGXORBQFPPDW-VXGBXAGGSA-N 2 2 225.380 0.916 20 0 BCADLP C([C@@H]1CC[C@@H]2C[C@@H]2C1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923461424 644447415 /nfs/dbraw/zinc/44/74/15/644447415.db2.gz XILSXBZLWVOZAO-MCIONIFRSA-N 2 2 237.391 0.917 20 0 BCADLP CC(C)CC[C@@H](O)C[N@@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923469601 644451334 /nfs/dbraw/zinc/45/13/34/644451334.db2.gz BBWNVBNZJGOAIH-CHWSQXEVSA-N 2 2 244.379 0.569 20 0 BCADLP CC(C)CC[C@@H](O)C[N@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923469601 644451336 /nfs/dbraw/zinc/45/13/36/644451336.db2.gz BBWNVBNZJGOAIH-CHWSQXEVSA-N 2 2 244.379 0.569 20 0 BCADLP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923469603 644451756 /nfs/dbraw/zinc/45/17/56/644451756.db2.gz BBWNVBNZJGOAIH-QWHCGFSZSA-N 2 2 244.379 0.569 20 0 BCADLP CC(C)CC[C@H](O)C[N@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923469603 644451761 /nfs/dbraw/zinc/45/17/61/644451761.db2.gz BBWNVBNZJGOAIH-QWHCGFSZSA-N 2 2 244.379 0.569 20 0 BCADLP COC(=O)CCCC[N@@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923473227 644456755 /nfs/dbraw/zinc/45/67/55/644456755.db2.gz KZUJDKPAHDGPDY-LBPRGKRZSA-N 2 2 244.335 0.115 20 0 BCADLP COC(=O)CCCC[N@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923473227 644456757 /nfs/dbraw/zinc/45/67/57/644456757.db2.gz KZUJDKPAHDGPDY-LBPRGKRZSA-N 2 2 244.335 0.115 20 0 BCADLP OC[C@H]1CCCCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000923531063 644487794 /nfs/dbraw/zinc/48/77/94/644487794.db2.gz OMUTYHHLKANWMR-VXGBXAGGSA-N 2 2 228.336 0.212 20 0 BCADLP OC[C@H]1CCCCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000923531063 644487799 /nfs/dbraw/zinc/48/77/99/644487799.db2.gz OMUTYHHLKANWMR-VXGBXAGGSA-N 2 2 228.336 0.212 20 0 BCADLP COC[C@H](C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2)OC ZINC000923533708 644490858 /nfs/dbraw/zinc/49/08/58/644490858.db2.gz NPUCLBRLMKQZRO-QWHCGFSZSA-N 2 2 242.363 0.866 20 0 BCADLP COC[C@H](C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)OC ZINC000923533708 644490862 /nfs/dbraw/zinc/49/08/62/644490862.db2.gz NPUCLBRLMKQZRO-QWHCGFSZSA-N 2 2 242.363 0.866 20 0 BCADLP CCC[N@H+](C[C@@H](O)CC)[C@H]1CC[NH2+]C1 ZINC000250124615 644747595 /nfs/dbraw/zinc/74/75/95/644747595.db2.gz YMDXKKWFAQIIFS-QWRGUYRKSA-N 2 2 200.326 0.831 20 0 BCADLP CCC[N@@H+](C[C@@H](O)CC)[C@H]1CC[NH2+]C1 ZINC000250124615 644747602 /nfs/dbraw/zinc/74/76/02/644747602.db2.gz YMDXKKWFAQIIFS-QWRGUYRKSA-N 2 2 200.326 0.831 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000251725682 644818602 /nfs/dbraw/zinc/81/86/02/644818602.db2.gz ZKQQEEWLKWREHS-GUBZILKMSA-N 2 2 212.293 0.361 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@H]2CCOC2=O)C1 ZINC000251725682 644818606 /nfs/dbraw/zinc/81/86/06/644818606.db2.gz ZKQQEEWLKWREHS-GUBZILKMSA-N 2 2 212.293 0.361 20 0 BCADLP O[C@H](C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)C(F)(F)F ZINC000304595739 644914137 /nfs/dbraw/zinc/91/41/37/644914137.db2.gz UVZSZUBOPKGTMG-RKDXNWHRSA-N 2 2 238.253 0.595 20 0 BCADLP O[C@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)C(F)(F)F ZINC000304595739 644914141 /nfs/dbraw/zinc/91/41/41/644914141.db2.gz UVZSZUBOPKGTMG-RKDXNWHRSA-N 2 2 238.253 0.595 20 0 BCADLP CN1CC[NH+]=C1NCCCCn1cc[nH+]c1 ZINC000304619307 644921589 /nfs/dbraw/zinc/92/15/89/644921589.db2.gz XHTWDSQJTSFQHA-UHFFFAOYSA-N 2 2 221.308 0.554 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253197384 644943064 /nfs/dbraw/zinc/94/30/64/644943064.db2.gz AGXJFKTVJGIHBH-VXGBXAGGSA-N 2 2 241.379 0.675 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253197384 644943065 /nfs/dbraw/zinc/94/30/65/644943065.db2.gz AGXJFKTVJGIHBH-VXGBXAGGSA-N 2 2 241.379 0.675 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCCN(C=O)CC1 ZINC000821279225 645033273 /nfs/dbraw/zinc/03/32/73/645033273.db2.gz KHQVYXZZMFKCGB-UHFFFAOYSA-N 2 2 236.319 0.356 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCCN(C=O)CC1 ZINC000821279225 645033274 /nfs/dbraw/zinc/03/32/74/645033274.db2.gz KHQVYXZZMFKCGB-UHFFFAOYSA-N 2 2 236.319 0.356 20 0 BCADLP C[C@H](CCO)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927105547 645549080 /nfs/dbraw/zinc/54/90/80/645549080.db2.gz SIDMGJPLIPHCHY-YPMHNXCESA-N 2 2 242.363 0.600 20 0 BCADLP C[C@H](CCO)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927105547 645549086 /nfs/dbraw/zinc/54/90/86/645549086.db2.gz SIDMGJPLIPHCHY-YPMHNXCESA-N 2 2 242.363 0.600 20 0 BCADLP C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000928430934 645750076 /nfs/dbraw/zinc/75/00/76/645750076.db2.gz AMJVLYJJUCDOHP-UWVGGRQHSA-N 2 2 222.292 0.092 20 0 BCADLP C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC000928430934 645750079 /nfs/dbraw/zinc/75/00/79/645750079.db2.gz AMJVLYJJUCDOHP-UWVGGRQHSA-N 2 2 222.292 0.092 20 0 BCADLP C[C@H](O)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924528183 646047526 /nfs/dbraw/zinc/04/75/26/646047526.db2.gz MPSWVEDHTOXAME-SDDRHHMPSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@H](O)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924528183 646047533 /nfs/dbraw/zinc/04/75/33/646047533.db2.gz MPSWVEDHTOXAME-SDDRHHMPSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@H](O)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924528179 646047701 /nfs/dbraw/zinc/04/77/01/646047701.db2.gz MPSWVEDHTOXAME-QJPTWQEYSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@H](O)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924528179 646047705 /nfs/dbraw/zinc/04/77/05/646047705.db2.gz MPSWVEDHTOXAME-QJPTWQEYSA-N 2 2 212.337 0.974 20 0 BCADLP CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000929312880 646074617 /nfs/dbraw/zinc/07/46/17/646074617.db2.gz NVHFYTCNQAJVMQ-YFKTTZPYSA-N 2 2 240.347 0.725 20 0 BCADLP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000929312880 646074627 /nfs/dbraw/zinc/07/46/27/646074627.db2.gz NVHFYTCNQAJVMQ-YFKTTZPYSA-N 2 2 240.347 0.725 20 0 BCADLP Cn1cnnc1C[NH2+]C1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000924643127 646084076 /nfs/dbraw/zinc/08/40/76/646084076.db2.gz HYGBGQUWJWYHNS-DHHPTOIESA-N 2 2 235.335 0.245 20 0 BCADLP Cn1cnnc1C[NH2+]C1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000924643127 646084081 /nfs/dbraw/zinc/08/40/81/646084081.db2.gz HYGBGQUWJWYHNS-DHHPTOIESA-N 2 2 235.335 0.245 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cnnn1C ZINC000925140150 646192032 /nfs/dbraw/zinc/19/20/32/646192032.db2.gz ITZVLRPGSVSLLY-OUAUKWLOSA-N 2 2 237.351 0.948 20 0 BCADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cnnn1C ZINC000925140150 646192036 /nfs/dbraw/zinc/19/20/36/646192036.db2.gz ITZVLRPGSVSLLY-OUAUKWLOSA-N 2 2 237.351 0.948 20 0 BCADLP CON1CC[C@@H]([N@@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000929638037 646217024 /nfs/dbraw/zinc/21/70/24/646217024.db2.gz ULHRLIJJPUHQNK-GHMZBOCLSA-N 2 2 241.335 0.032 20 0 BCADLP CON1CC[C@@H]([N@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000929638037 646217029 /nfs/dbraw/zinc/21/70/29/646217029.db2.gz ULHRLIJJPUHQNK-GHMZBOCLSA-N 2 2 241.335 0.032 20 0 BCADLP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@H]1COCCO1 ZINC000925484070 646296865 /nfs/dbraw/zinc/29/68/65/646296865.db2.gz BTDKMQMGLRFWGR-WDEREUQCSA-N 2 2 226.320 0.276 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC000925497806 646302104 /nfs/dbraw/zinc/30/21/04/646302104.db2.gz KEIPZAYKVQXNPT-YNEHKIRRSA-N 2 2 242.363 0.912 20 0 BCADLP Cn1cc([C@H](O)C[NH2+][C@@H]2CC[NH2+]C2(C)C)cn1 ZINC000925517313 646312108 /nfs/dbraw/zinc/31/21/08/646312108.db2.gz NNGLRQNJNVZISP-GHMZBOCLSA-N 2 2 238.335 0.184 20 0 BCADLP C(C[C@@H]1CCCO1)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925536421 646315878 /nfs/dbraw/zinc/31/58/78/646315878.db2.gz OXSPQXJKIIFIHV-MNOVXSKESA-N 2 2 214.309 0.134 20 0 BCADLP COCCCCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925528547 646317513 /nfs/dbraw/zinc/31/75/13/646317513.db2.gz FINFHPOZPKFNAW-NSHDSACASA-N 2 2 216.325 0.381 20 0 BCADLP C1C[C@@H]2[C@H](CCC[C@@H]2[NH2+][C@@H]2C[NH2+]CCOC2)O1 ZINC000925558124 646333307 /nfs/dbraw/zinc/33/33/07/646333307.db2.gz FNKRIQKOBDJXCM-VOAKCMCISA-N 2 2 240.347 0.522 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CCNc1cnccn1 ZINC000925559547 646333927 /nfs/dbraw/zinc/33/39/27/646333927.db2.gz VXAXQNZSTFVAJK-SNVBAGLBSA-N 2 2 235.335 0.619 20 0 BCADLP OC[C@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925607669 646357847 /nfs/dbraw/zinc/35/78/47/646357847.db2.gz QLNWTRSGYYOZGH-GRYCIOLGSA-N 2 2 228.336 0.116 20 0 BCADLP COC[C@@H](CCO)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925611338 646359979 /nfs/dbraw/zinc/35/99/79/646359979.db2.gz LIABOYCTVIPXNO-GHMZBOCLSA-N 2 2 228.336 0.258 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H](O)COCC1CC1 ZINC000925616469 646364992 /nfs/dbraw/zinc/36/49/92/646364992.db2.gz MTWKYYVPVFNBBX-NWDGAFQWSA-N 2 2 242.363 0.504 20 0 BCADLP OCC[C@@H]1CCC[C@H]1[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925644771 646384654 /nfs/dbraw/zinc/38/46/54/646384654.db2.gz NQGGQSJZGHQXLW-SDDRHHMPSA-N 2 2 228.336 0.116 20 0 BCADLP CCOC1CC(CC[NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925650773 646388781 /nfs/dbraw/zinc/38/87/81/646388781.db2.gz YEVLMHOTVLWZDO-CPCZMJQVSA-N 2 2 242.363 0.770 20 0 BCADLP C[NH+](C)CCOCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925649997 646389293 /nfs/dbraw/zinc/38/92/93/646389293.db2.gz QOJYVIRMYYDYSM-NSHDSACASA-N 3 2 229.368 0.295 20 0 BCADLP Cn1c[nH+]cc1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925669698 646401335 /nfs/dbraw/zinc/40/13/35/646401335.db2.gz WDRWZZBKNVSQHY-SNVBAGLBSA-N 2 2 208.309 0.650 20 0 BCADLP C([NH2+][C@H]1C[NH2+]CCOC1)[C@@H]1CCCSC1 ZINC000925673729 646402600 /nfs/dbraw/zinc/40/26/00/646402600.db2.gz PFFFEBKFCWOCFN-QWRGUYRKSA-N 2 2 230.377 0.708 20 0 BCADLP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925687436 646414253 /nfs/dbraw/zinc/41/42/53/646414253.db2.gz BCBVBYZJUFPIJB-SRVKXCTJSA-N 2 2 212.337 0.857 20 0 BCADLP CCS(=O)(=O)CCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925693541 646419731 /nfs/dbraw/zinc/41/97/31/646419731.db2.gz SHXOQOPYHRNULB-MNOVXSKESA-N 2 2 248.392 0.541 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC[NH2+]1 ZINC000925700752 646425248 /nfs/dbraw/zinc/42/52/48/646425248.db2.gz SLFWVTUWRCFDMQ-DDHJBXDOSA-N 3 2 223.364 0.986 20 0 BCADLP C[NH+](C)C1CCC([NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925704936 646429121 /nfs/dbraw/zinc/42/91/21/646429121.db2.gz ITRKNAXLQNUXTJ-CPCZMJQVSA-N 3 2 241.379 0.437 20 0 BCADLP FCCOCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925715630 646440956 /nfs/dbraw/zinc/44/09/56/646440956.db2.gz GEMJKGFWXBEOGE-JTQLQIEISA-N 2 2 216.300 0.847 20 0 BCADLP [NH3+]CCCOCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925716700 646441025 /nfs/dbraw/zinc/44/10/25/646441025.db2.gz GBOSCOKXIZFCBV-LLVKDONJSA-N 3 2 227.352 0.226 20 0 BCADLP COC(=O)N(C)CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925717590 646442903 /nfs/dbraw/zinc/44/29/03/646442903.db2.gz UPUTYAWTQKDAFU-JTQLQIEISA-N 2 2 241.335 0.559 20 0 BCADLP C[C@H]([NH3+])[C@@H]([NH2+]C1CC(C(N)=O)C1)c1ccccc1 ZINC000925728998 646454420 /nfs/dbraw/zinc/45/44/20/646454420.db2.gz NDPQEJCHJQSZFC-ZHYKRGJUSA-N 2 2 247.342 0.928 20 0 BCADLP CC(C)([NH3+])CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000925736954 646461082 /nfs/dbraw/zinc/46/10/82/646461082.db2.gz LSLFNMDJBFKZTB-NEPJUHHUSA-N 3 2 241.379 0.470 20 0 BCADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CCOC1)[C@@H]1CCCOC1 ZINC000925768925 646470577 /nfs/dbraw/zinc/47/05/77/646470577.db2.gz MMNJQZHPURXDLA-UPJWGTAASA-N 2 2 242.363 0.770 20 0 BCADLP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925829859 646500143 /nfs/dbraw/zinc/50/01/43/646500143.db2.gz AHLUVFSPCANKJG-DJLDLDEBSA-N 2 2 238.253 0.763 20 0 BCADLP Cc1cc(CC[NH2+][C@H]2CC[NH2+]C2)nn1C ZINC000925833888 646503652 /nfs/dbraw/zinc/50/36/52/646503652.db2.gz LKDWHLORIPLPNC-NSHDSACASA-N 2 2 208.309 0.223 20 0 BCADLP CCO[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C[NH+](C)C ZINC000925836229 646504125 /nfs/dbraw/zinc/50/41/25/646504125.db2.gz JCJGWZHDTDMCHM-JHJVBQTASA-N 3 2 243.395 0.813 20 0 BCADLP CCO[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)C[NH+](C)C ZINC000925838276 646505359 /nfs/dbraw/zinc/50/53/59/646505359.db2.gz KYADGUOGAQERBJ-QWHCGFSZSA-N 3 2 243.395 0.685 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CNOC2)[C@@H](C)C1 ZINC000925864618 646516207 /nfs/dbraw/zinc/51/62/07/646516207.db2.gz JQZRJOIXJHUEAG-AXFHLTTASA-N 2 2 213.325 0.210 20 0 BCADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CNOC2)[C@@H](C)C1 ZINC000925864618 646516214 /nfs/dbraw/zinc/51/62/14/646516214.db2.gz JQZRJOIXJHUEAG-AXFHLTTASA-N 2 2 213.325 0.210 20 0 BCADLP CCOCCOCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000925876233 646525695 /nfs/dbraw/zinc/52/56/95/646525695.db2.gz ZMQKIQYSKZVBNY-RYUDHWBXSA-N 2 2 230.352 0.627 20 0 BCADLP CCOCCOCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925875772 646526499 /nfs/dbraw/zinc/52/64/99/646526499.db2.gz WETPHYXXCRFZLO-VXGBXAGGSA-N 2 2 230.352 0.770 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879680 646529785 /nfs/dbraw/zinc/52/97/85/646529785.db2.gz IFIVICRNVDPTKJ-FVCCEPFGSA-N 3 2 241.379 0.470 20 0 BCADLP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cnn(C)n1 ZINC000926207945 646596096 /nfs/dbraw/zinc/59/60/96/646596096.db2.gz XYLWDRSSBMJSKU-VIFPVBQESA-N 2 2 234.307 0.442 20 0 BCADLP COC[C@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000309064402 711661102 /nfs/dbraw/zinc/66/11/02/711661102.db2.gz YGXQCCGUGZQDQK-IUCAKERBSA-N 2 2 222.279 0.937 20 0 BCADLP COC[C@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000309064402 711661104 /nfs/dbraw/zinc/66/11/04/711661104.db2.gz YGXQCCGUGZQDQK-IUCAKERBSA-N 2 2 222.279 0.937 20 0 BCADLP C[C@H](O)CC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000720352851 711683662 /nfs/dbraw/zinc/68/36/62/711683662.db2.gz RIISWOXWOQHTLK-QJPTWQEYSA-N 2 2 212.337 0.926 20 0 BCADLP C[C@H](O)CC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000720352851 711683663 /nfs/dbraw/zinc/68/36/63/711683663.db2.gz RIISWOXWOQHTLK-QJPTWQEYSA-N 2 2 212.337 0.926 20 0 BCADLP C[C@H](O)CC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720352851 711683665 /nfs/dbraw/zinc/68/36/65/711683665.db2.gz RIISWOXWOQHTLK-QJPTWQEYSA-N 2 2 212.337 0.926 20 0 BCADLP C[C@H](O)CC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720352851 711683667 /nfs/dbraw/zinc/68/36/67/711683667.db2.gz RIISWOXWOQHTLK-QJPTWQEYSA-N 2 2 212.337 0.926 20 0 BCADLP CN(C)C(=O)CC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000720915204 711686904 /nfs/dbraw/zinc/68/69/04/711686904.db2.gz RXVIZLRPAMOQSM-QWRGUYRKSA-N 2 2 225.336 0.291 20 0 BCADLP CN(C)C(=O)CC[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000720915204 711686906 /nfs/dbraw/zinc/68/69/06/711686906.db2.gz RXVIZLRPAMOQSM-QWRGUYRKSA-N 2 2 225.336 0.291 20 0 BCADLP CCCNC(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000309257730 711695989 /nfs/dbraw/zinc/69/59/89/711695989.db2.gz BEZCJITYWACXKI-WDEREUQCSA-N 2 2 225.336 0.054 20 0 BCADLP CCCNC(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000309257730 711695991 /nfs/dbraw/zinc/69/59/91/711695991.db2.gz BEZCJITYWACXKI-WDEREUQCSA-N 2 2 225.336 0.054 20 0 BCADLP CO[C@H]1C[C@@H](C[N@@H+]2CCO[C@@H](C[NH3+])C2)C1 ZINC000721921696 711937165 /nfs/dbraw/zinc/93/71/65/711937165.db2.gz YVMJGIKNZLADGC-AXFHLTTASA-N 2 2 214.309 0.071 20 0 BCADLP CO[C@H]1C[C@@H](C[N@H+]2CCO[C@@H](C[NH3+])C2)C1 ZINC000721921696 711937167 /nfs/dbraw/zinc/93/71/67/711937167.db2.gz YVMJGIKNZLADGC-AXFHLTTASA-N 2 2 214.309 0.071 20 0 BCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702092270 712039096 /nfs/dbraw/zinc/03/90/96/712039096.db2.gz FNNWBLWTPCUQKL-GMXVVIOVSA-N 2 2 239.363 0.442 20 0 BCADLP Cn1c[nH+]cc1CN1CC[NH2+]CCC1(C)C ZINC000712584722 712434294 /nfs/dbraw/zinc/43/42/94/712434294.db2.gz OSTPSRQWRLMNIG-UHFFFAOYSA-N 2 2 222.336 0.994 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)C[C@@H]1CC2(CO1)CCOCC2 ZINC000712620419 712438440 /nfs/dbraw/zinc/43/84/40/712438440.db2.gz ZOQLWOJRHWVKFE-NEPJUHHUSA-N 2 2 242.363 0.851 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)C[C@@H]1CC2(CO1)CCOCC2 ZINC000712620419 712438442 /nfs/dbraw/zinc/43/84/42/712438442.db2.gz ZOQLWOJRHWVKFE-NEPJUHHUSA-N 2 2 242.363 0.851 20 0 BCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715400595 712517135 /nfs/dbraw/zinc/51/71/35/712517135.db2.gz HGCUTAIMFSUXNZ-MXWKQRLJSA-N 2 2 246.301 0.640 20 0 BCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715400595 712517137 /nfs/dbraw/zinc/51/71/37/712517137.db2.gz HGCUTAIMFSUXNZ-MXWKQRLJSA-N 2 2 246.301 0.640 20 0 BCADLP CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000037267386 712565085 /nfs/dbraw/zinc/56/50/85/712565085.db2.gz NECNPWKMOJSIEU-GHMZBOCLSA-N 2 2 241.379 0.973 20 0 BCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCCO ZINC000720352470 712833114 /nfs/dbraw/zinc/83/31/14/712833114.db2.gz PWWYNAXESODLDA-VXGBXAGGSA-N 2 2 212.337 0.927 20 0 BCADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCCO ZINC000720352470 712833115 /nfs/dbraw/zinc/83/31/15/712833115.db2.gz PWWYNAXESODLDA-VXGBXAGGSA-N 2 2 212.337 0.927 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCCO ZINC000720352470 712833116 /nfs/dbraw/zinc/83/31/16/712833116.db2.gz PWWYNAXESODLDA-VXGBXAGGSA-N 2 2 212.337 0.927 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCCCO ZINC000720352470 712833117 /nfs/dbraw/zinc/83/31/17/712833117.db2.gz PWWYNAXESODLDA-VXGBXAGGSA-N 2 2 212.337 0.927 20 0 BCADLP CCOC[C@H](O)C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720484282 712846531 /nfs/dbraw/zinc/84/65/31/712846531.db2.gz XSELNQYZIZPRMZ-FRRDWIJNSA-N 2 2 242.363 0.552 20 0 BCADLP CCOC[C@H](O)C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720484282 712846532 /nfs/dbraw/zinc/84/65/32/712846532.db2.gz XSELNQYZIZPRMZ-FRRDWIJNSA-N 2 2 242.363 0.552 20 0 BCADLP CN(C)C(=O)CC[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000720915202 712878268 /nfs/dbraw/zinc/87/82/68/712878268.db2.gz RXVIZLRPAMOQSM-MNOVXSKESA-N 2 2 225.336 0.291 20 0 BCADLP CN(C)C(=O)CC[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000720915202 712878273 /nfs/dbraw/zinc/87/82/73/712878273.db2.gz RXVIZLRPAMOQSM-MNOVXSKESA-N 2 2 225.336 0.291 20 0 BCADLP CC[N@H+](CC(=O)NC)C[C@]1(C)CC[NH2+]C1 ZINC000381599679 710659591 /nfs/dbraw/zinc/65/95/91/710659591.db2.gz NAZMEUBDHPKMQM-LLVKDONJSA-N 2 2 213.325 0.054 20 0 BCADLP CC[N@@H+](CC(=O)NC)C[C@]1(C)CC[NH2+]C1 ZINC000381599679 710659593 /nfs/dbraw/zinc/65/95/93/710659593.db2.gz NAZMEUBDHPKMQM-LLVKDONJSA-N 2 2 213.325 0.054 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+]1CCO[C@H]1CCOC1 ZINC000724913727 710746953 /nfs/dbraw/zinc/74/69/53/710746953.db2.gz IAXLSQDCNFRKAA-MNOVXSKESA-N 2 2 214.309 0.215 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+]1CCO[C@H]1CCOC1 ZINC000724913727 710746956 /nfs/dbraw/zinc/74/69/56/710746956.db2.gz IAXLSQDCNFRKAA-MNOVXSKESA-N 2 2 214.309 0.215 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCO[C@H]1CCOC1 ZINC000724926760 710749403 /nfs/dbraw/zinc/74/94/03/710749403.db2.gz UKZSGJVZPRPJEI-RWMBFGLXSA-N 2 2 242.363 0.994 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCO[C@H]1CCOC1 ZINC000724926760 710749405 /nfs/dbraw/zinc/74/94/05/710749405.db2.gz UKZSGJVZPRPJEI-RWMBFGLXSA-N 2 2 242.363 0.994 20 0 BCADLP CC[NH+]1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001043358294 710806195 /nfs/dbraw/zinc/80/61/95/710806195.db2.gz SROIUBLZVNJLQY-UHFFFAOYSA-N 2 2 236.319 0.354 20 0 BCADLP CN(C(=O)Cn1cc[nH+]c1)C1C[NH+](CC2CC2)C1 ZINC001044365095 710824976 /nfs/dbraw/zinc/82/49/76/710824976.db2.gz JKUSJIYGVUNRTR-UHFFFAOYSA-N 2 2 248.330 0.436 20 0 BCADLP CC[N@H+](CCC[NH2+]C1CC1)CC(=O)N(C)C ZINC000382525755 710971276 /nfs/dbraw/zinc/97/12/76/710971276.db2.gz GDUUBJCDVWOUIQ-UHFFFAOYSA-N 2 2 227.352 0.539 20 0 BCADLP CC[N@@H+](CCC[NH2+]C1CC1)CC(=O)N(C)C ZINC000382525755 710971277 /nfs/dbraw/zinc/97/12/77/710971277.db2.gz GDUUBJCDVWOUIQ-UHFFFAOYSA-N 2 2 227.352 0.539 20 0 BCADLP COC(=O)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000384856415 710998853 /nfs/dbraw/zinc/99/88/53/710998853.db2.gz GORPUFPPVLMISH-JZYVYDRUSA-N 2 2 212.293 0.041 20 0 BCADLP COC(=O)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000384856415 710998855 /nfs/dbraw/zinc/99/88/55/710998855.db2.gz GORPUFPPVLMISH-JZYVYDRUSA-N 2 2 212.293 0.041 20 0 BCADLP CCC[N@H+](CCC[NH2+]C1CC1)CC(=O)NC ZINC000382534006 710972790 /nfs/dbraw/zinc/97/27/90/710972790.db2.gz MYDRAKTYSLUODP-UHFFFAOYSA-N 2 2 227.352 0.587 20 0 BCADLP CCC[N@@H+](CCC[NH2+]C1CC1)CC(=O)NC ZINC000382534006 710972795 /nfs/dbraw/zinc/97/27/95/710972795.db2.gz MYDRAKTYSLUODP-UHFFFAOYSA-N 2 2 227.352 0.587 20 0 BCADLP COCC(COC)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000388421761 711061232 /nfs/dbraw/zinc/06/12/32/711061232.db2.gz ICRLQIKUQKSBNT-MNSQCTGESA-N 2 2 240.347 0.234 20 0 BCADLP Cn1ncc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000389806905 711089581 /nfs/dbraw/zinc/08/95/81/711089581.db2.gz CKFSKQIMXWWEJS-BDAKNGLRSA-N 2 2 209.297 0.175 20 0 BCADLP COC[C@H](CCO)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396619000 711360740 /nfs/dbraw/zinc/36/07/40/711360740.db2.gz HDGHYGPRFSETJM-OUAUKWLOSA-N 2 2 216.325 0.114 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1NCc1c[nH+]cn1C ZINC000396645273 711362938 /nfs/dbraw/zinc/36/29/38/711362938.db2.gz BYKMIDCYDZVSOJ-GXSJLCMTSA-N 2 2 208.309 0.650 20 0 BCADLP CC[NH+]1CCC([NH2+]CC(=O)N(C)OC)CC1 ZINC000397549152 711386319 /nfs/dbraw/zinc/38/63/19/711386319.db2.gz ZRPNUECARCBJKZ-UHFFFAOYSA-N 2 2 229.324 0.080 20 0 BCADLP CON(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000397541685 711386916 /nfs/dbraw/zinc/38/69/16/711386916.db2.gz WVMFTTASGBJQBV-FGWVZKOKSA-N 2 2 241.335 0.221 20 0 BCADLP CON(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000397541685 711386918 /nfs/dbraw/zinc/38/69/18/711386918.db2.gz WVMFTTASGBJQBV-FGWVZKOKSA-N 2 2 241.335 0.221 20 0 BCADLP CCc1nc(C[N@@H+]2CC[C@H](CC[NH3+])C2)no1 ZINC000723701462 711534795 /nfs/dbraw/zinc/53/47/95/711534795.db2.gz FQUFJOBHHODXEJ-VIFPVBQESA-N 2 2 224.308 0.803 20 0 BCADLP CCc1nc(C[N@H+]2CC[C@H](CC[NH3+])C2)no1 ZINC000723701462 711534797 /nfs/dbraw/zinc/53/47/97/711534797.db2.gz FQUFJOBHHODXEJ-VIFPVBQESA-N 2 2 224.308 0.803 20 0 BCADLP CC[N@H+](CC[NH3+])C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724556553 711589735 /nfs/dbraw/zinc/58/97/35/711589735.db2.gz HHIAJHWNEBBUHZ-DCAQKATOSA-N 2 2 214.309 0.071 20 0 BCADLP CC[N@@H+](CC[NH3+])C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724556553 711589739 /nfs/dbraw/zinc/58/97/39/711589739.db2.gz HHIAJHWNEBBUHZ-DCAQKATOSA-N 2 2 214.309 0.071 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724557934 711590238 /nfs/dbraw/zinc/59/02/38/711590238.db2.gz LYSORRVZMCHFBK-VLEAKVRGSA-N 2 2 214.309 0.069 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724557934 711590239 /nfs/dbraw/zinc/59/02/39/711590239.db2.gz LYSORRVZMCHFBK-VLEAKVRGSA-N 2 2 214.309 0.069 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724564701 711592913 /nfs/dbraw/zinc/59/29/13/711592913.db2.gz WDYLUNHFGFJDGT-ZDEQEGDKSA-N 2 2 240.347 0.604 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724564701 711592914 /nfs/dbraw/zinc/59/29/14/711592914.db2.gz WDYLUNHFGFJDGT-ZDEQEGDKSA-N 2 2 240.347 0.604 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724596358 711596455 /nfs/dbraw/zinc/59/64/55/711596455.db2.gz VSOMCCMFTGZOTJ-VPOLOUISSA-N 2 2 214.309 0.069 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724596358 711596457 /nfs/dbraw/zinc/59/64/57/711596457.db2.gz VSOMCCMFTGZOTJ-VPOLOUISSA-N 2 2 214.309 0.069 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724612433 711598460 /nfs/dbraw/zinc/59/84/60/711598460.db2.gz JZOFJQQPYLLJPN-DGORSVRFSA-N 2 2 226.320 0.212 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724612433 711598461 /nfs/dbraw/zinc/59/84/61/711598461.db2.gz JZOFJQQPYLLJPN-DGORSVRFSA-N 2 2 226.320 0.212 20 0 BCADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)C(C)(C)CO ZINC000924554217 711668145 /nfs/dbraw/zinc/66/81/45/711668145.db2.gz UZJZBWNYGMBRQS-SNVBAGLBSA-N 2 2 211.309 0.880 20 0 BCADLP C[C@@H](C[NH2+][C@@H]1COCC1(C)C)[NH+](C)C ZINC000313057675 711712873 /nfs/dbraw/zinc/71/28/73/711712873.db2.gz UVTBRWCHMPAATF-VHSXEESVSA-N 2 2 200.326 0.951 20 0 BCADLP COC(=O)c1ccc(C[N@H+](C)CCC[NH3+])[nH]1 ZINC000592427596 711829674 /nfs/dbraw/zinc/82/96/74/711829674.db2.gz GNTIGLVQCOIYRV-UHFFFAOYSA-N 2 2 225.292 0.582 20 0 BCADLP COC(=O)c1ccc(C[N@@H+](C)CCC[NH3+])[nH]1 ZINC000592427596 711829675 /nfs/dbraw/zinc/82/96/75/711829675.db2.gz GNTIGLVQCOIYRV-UHFFFAOYSA-N 2 2 225.292 0.582 20 0 BCADLP CCO[C@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000701720733 712028402 /nfs/dbraw/zinc/02/84/02/712028402.db2.gz XDSYQGMIEPCNPW-QWRGUYRKSA-N 2 2 214.309 0.086 20 0 BCADLP CCO[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000701720733 712028403 /nfs/dbraw/zinc/02/84/03/712028403.db2.gz XDSYQGMIEPCNPW-QWRGUYRKSA-N 2 2 214.309 0.086 20 0 BCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702092270 712039095 /nfs/dbraw/zinc/03/90/95/712039095.db2.gz FNNWBLWTPCUQKL-GMXVVIOVSA-N 2 2 239.363 0.442 20 0 BCADLP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCC[NH2+]C3)C[C@]2(C)C1 ZINC000702334584 712047560 /nfs/dbraw/zinc/04/75/60/712047560.db2.gz XKHLLOMCLNLXFC-MJBXVCDLSA-N 3 2 237.391 0.870 20 0 BCADLP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3CCC[NH2+]C3)C[C@]2(C)C1 ZINC000702334584 712047562 /nfs/dbraw/zinc/04/75/62/712047562.db2.gz XKHLLOMCLNLXFC-MJBXVCDLSA-N 3 2 237.391 0.870 20 0 BCADLP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)C[C@]2(C)C1 ZINC000702334584 712047563 /nfs/dbraw/zinc/04/75/63/712047563.db2.gz XKHLLOMCLNLXFC-MJBXVCDLSA-N 3 2 237.391 0.870 20 0 BCADLP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)C[C@]2(C)C1 ZINC000702334584 712047564 /nfs/dbraw/zinc/04/75/64/712047564.db2.gz XKHLLOMCLNLXFC-MJBXVCDLSA-N 3 2 237.391 0.870 20 0 BCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000702572612 712055839 /nfs/dbraw/zinc/05/58/39/712055839.db2.gz GZBAPKLPZWUKCT-JSGCOSHPSA-N 2 2 247.342 0.725 20 0 BCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000702572612 712055840 /nfs/dbraw/zinc/05/58/40/712055840.db2.gz GZBAPKLPZWUKCT-JSGCOSHPSA-N 2 2 247.342 0.725 20 0 BCADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000702572614 712055952 /nfs/dbraw/zinc/05/59/52/712055952.db2.gz GZBAPKLPZWUKCT-TZMCWYRMSA-N 2 2 247.342 0.725 20 0 BCADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000702572614 712055954 /nfs/dbraw/zinc/05/59/54/712055954.db2.gz GZBAPKLPZWUKCT-TZMCWYRMSA-N 2 2 247.342 0.725 20 0 BCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703557617 712078909 /nfs/dbraw/zinc/07/89/09/712078909.db2.gz MNFPMIMRVMJUSV-QWHCGFSZSA-N 2 2 234.347 0.770 20 0 BCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703557617 712078911 /nfs/dbraw/zinc/07/89/11/712078911.db2.gz MNFPMIMRVMJUSV-QWHCGFSZSA-N 2 2 234.347 0.770 20 0 BCADLP CC[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001035062374 712110997 /nfs/dbraw/zinc/11/09/97/712110997.db2.gz IEUMYLIELXBRKE-LLVKDONJSA-N 2 2 236.319 0.553 20 0 BCADLP COC(C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1)OC ZINC000706204406 712141095 /nfs/dbraw/zinc/14/10/95/712141095.db2.gz SCDUFPKEGPBSQL-CHWSQXEVSA-N 2 2 242.363 0.879 20 0 BCADLP Cc1cnc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)nc1 ZINC000708131269 712182656 /nfs/dbraw/zinc/18/26/56/712182656.db2.gz UDFRWOXKWOVYNR-GHMZBOCLSA-N 2 2 220.320 0.812 20 0 BCADLP Cc1cnc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)nc1 ZINC000708131269 712182659 /nfs/dbraw/zinc/18/26/59/712182659.db2.gz UDFRWOXKWOVYNR-GHMZBOCLSA-N 2 2 220.320 0.812 20 0 BCADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cn(C)cn1 ZINC000710006810 712239291 /nfs/dbraw/zinc/23/92/91/712239291.db2.gz OESDRQASNLIKKZ-SNVBAGLBSA-N 2 2 219.292 0.967 20 0 BCADLP [NH3+][C@H]1CC[C@H](C(=O)NCCn2cc[nH+]c2)CC1 ZINC000710895213 712262089 /nfs/dbraw/zinc/26/20/89/712262089.db2.gz LNMXOFNRDBLSRI-XYPYZODXSA-N 2 2 236.319 0.517 20 0 BCADLP CC1(C)C[NH2+]C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000711331100 712294994 /nfs/dbraw/zinc/29/49/94/712294994.db2.gz LZTOTYJLFPTNME-JTQLQIEISA-N 2 2 236.319 0.245 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCC2(C)OCCO2)n1C ZINC000715895590 712540812 /nfs/dbraw/zinc/54/08/12/712540812.db2.gz QPMMEMAIGJTKAT-UHFFFAOYSA-N 2 2 239.319 0.971 20 0 BCADLP C[NH+](C)CCC[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716074060 712549539 /nfs/dbraw/zinc/54/95/39/712549539.db2.gz XJSYYTVGXDGJEI-UHFFFAOYSA-N 2 2 234.365 0.103 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](OC)C1 ZINC000379964297 712636846 /nfs/dbraw/zinc/63/68/46/712636846.db2.gz HMRQNRSDBLQGSP-GHMZBOCLSA-N 2 2 216.325 0.020 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](OC)C1 ZINC000379964297 712636848 /nfs/dbraw/zinc/63/68/48/712636848.db2.gz HMRQNRSDBLQGSP-GHMZBOCLSA-N 2 2 216.325 0.020 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](OC)C1 ZINC000379964297 712636849 /nfs/dbraw/zinc/63/68/49/712636849.db2.gz HMRQNRSDBLQGSP-GHMZBOCLSA-N 2 2 216.325 0.020 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](OC)C1 ZINC000379964297 712636851 /nfs/dbraw/zinc/63/68/51/712636851.db2.gz HMRQNRSDBLQGSP-GHMZBOCLSA-N 2 2 216.325 0.020 20 0 BCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1(Cl)CC1 ZINC000717308335 712646321 /nfs/dbraw/zinc/64/63/21/712646321.db2.gz OXDYVFZAGWHXOB-RKDXNWHRSA-N 2 2 220.744 0.658 20 0 BCADLP CC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717428365 712657287 /nfs/dbraw/zinc/65/72/87/712657287.db2.gz YKNSDLVLBZFICJ-GRYCIOLGSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717428365 712657288 /nfs/dbraw/zinc/65/72/88/712657288.db2.gz YKNSDLVLBZFICJ-GRYCIOLGSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000717428365 712657289 /nfs/dbraw/zinc/65/72/89/712657289.db2.gz YKNSDLVLBZFICJ-GRYCIOLGSA-N 2 2 212.337 0.926 20 0 BCADLP CC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000717428365 712657290 /nfs/dbraw/zinc/65/72/90/712657290.db2.gz YKNSDLVLBZFICJ-GRYCIOLGSA-N 2 2 212.337 0.926 20 0 BCADLP [NH3+][C@H](CC(F)F)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718163946 712750491 /nfs/dbraw/zinc/75/04/91/712750491.db2.gz VVKAAKFUXZQFJL-HRDYMLBCSA-N 2 2 220.263 0.547 20 0 BCADLP [NH3+][C@H](CC(F)F)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718163946 712750493 /nfs/dbraw/zinc/75/04/93/712750493.db2.gz VVKAAKFUXZQFJL-HRDYMLBCSA-N 2 2 220.263 0.547 20 0 BCADLP C[NH+]1CCC([NH2+]C[C@H](O)c2ccco2)CC1 ZINC000037887376 712780662 /nfs/dbraw/zinc/78/06/62/712780662.db2.gz GDNAJIGNTFOUGO-NSHDSACASA-N 2 2 224.304 0.997 20 0 BCADLP Cc1nc(N[C@H]2CC[N@H+](C)[C@H]2C)nc(N)[nH+]1 ZINC000719350365 712805213 /nfs/dbraw/zinc/80/52/13/712805213.db2.gz SPLLUDFEYRMPBM-XPUUQOCRSA-N 2 2 222.296 0.267 20 0 BCADLP Cc1nc(N[C@H]2CC[N@@H+](C)[C@H]2C)nc(N)[nH+]1 ZINC000719350365 712805215 /nfs/dbraw/zinc/80/52/15/712805215.db2.gz SPLLUDFEYRMPBM-XPUUQOCRSA-N 2 2 222.296 0.267 20 0 BCADLP CCOC[C@H](O)C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000720484282 712846530 /nfs/dbraw/zinc/84/65/30/712846530.db2.gz XSELNQYZIZPRMZ-FRRDWIJNSA-N 2 2 242.363 0.552 20 0 BCADLP CCOC[C@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000720484282 712846529 /nfs/dbraw/zinc/84/65/29/712846529.db2.gz XSELNQYZIZPRMZ-FRRDWIJNSA-N 2 2 242.363 0.552 20 0 BCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H](O)C1CC1 ZINC000720491628 712847328 /nfs/dbraw/zinc/84/73/28/712847328.db2.gz LDIDUAVYVABHAB-YNEHKIRRSA-N 2 2 224.348 0.926 20 0 BCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H](O)C1CC1 ZINC000720491628 712847329 /nfs/dbraw/zinc/84/73/29/712847329.db2.gz LDIDUAVYVABHAB-YNEHKIRRSA-N 2 2 224.348 0.926 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H](O)C1CC1 ZINC000720491628 712847330 /nfs/dbraw/zinc/84/73/30/712847330.db2.gz LDIDUAVYVABHAB-YNEHKIRRSA-N 2 2 224.348 0.926 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H](O)C1CC1 ZINC000720491628 712847331 /nfs/dbraw/zinc/84/73/31/712847331.db2.gz LDIDUAVYVABHAB-YNEHKIRRSA-N 2 2 224.348 0.926 20 0 BCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H](O)C1CC1 ZINC000720491624 712847341 /nfs/dbraw/zinc/84/73/41/712847341.db2.gz LDIDUAVYVABHAB-JHJVBQTASA-N 2 2 224.348 0.926 20 0 BCADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H](O)C1CC1 ZINC000720491624 712847342 /nfs/dbraw/zinc/84/73/42/712847342.db2.gz LDIDUAVYVABHAB-JHJVBQTASA-N 2 2 224.348 0.926 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](O)C1CC1 ZINC000720491624 712847343 /nfs/dbraw/zinc/84/73/43/712847343.db2.gz LDIDUAVYVABHAB-JHJVBQTASA-N 2 2 224.348 0.926 20 0 BCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H](O)C1CC1 ZINC000720491624 712847345 /nfs/dbraw/zinc/84/73/45/712847345.db2.gz LDIDUAVYVABHAB-JHJVBQTASA-N 2 2 224.348 0.926 20 0 BCADLP CCOC[C@@H](O)C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720709307 712862023 /nfs/dbraw/zinc/86/20/23/712862023.db2.gz AZXUNRCSKZIALD-VHSXEESVSA-N 2 2 216.325 0.053 20 0 BCADLP CCOC[C@@H](O)C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720709307 712862021 /nfs/dbraw/zinc/86/20/21/712862021.db2.gz AZXUNRCSKZIALD-VHSXEESVSA-N 2 2 216.325 0.053 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720907097 712876344 /nfs/dbraw/zinc/87/63/44/712876344.db2.gz JGHUPGBSUMKUQS-WISYIIOYSA-N 2 2 228.336 0.114 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc[nH+]c(N)n1 ZINC001120914531 719224386 /nfs/dbraw/zinc/22/43/86/719224386.db2.gz QSXIBHGBMBVBAV-RKDXNWHRSA-N 2 2 221.308 0.588 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc[nH+]c(N)n1 ZINC001120914531 719224391 /nfs/dbraw/zinc/22/43/91/719224391.db2.gz QSXIBHGBMBVBAV-RKDXNWHRSA-N 2 2 221.308 0.588 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(CC(N)=O)CC2)C1 ZINC000421354905 192321472 /nfs/dbraw/zinc/32/14/72/192321472.db2.gz XSDNWEXXMCWKGZ-MNOVXSKESA-N 2 2 239.363 0.572 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(CC(N)=O)CC2)C1 ZINC000421354905 192321475 /nfs/dbraw/zinc/32/14/75/192321475.db2.gz XSDNWEXXMCWKGZ-MNOVXSKESA-N 2 2 239.363 0.572 20 0 BCADLP CCO[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000380055813 488169627 /nfs/dbraw/zinc/16/96/27/488169627.db2.gz WRXSEMCSTMOHDJ-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP CCO[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000380055813 488169634 /nfs/dbraw/zinc/16/96/34/488169634.db2.gz WRXSEMCSTMOHDJ-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP CCO[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000380055813 488169638 /nfs/dbraw/zinc/16/96/38/488169638.db2.gz WRXSEMCSTMOHDJ-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP CCO[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000380055813 488169643 /nfs/dbraw/zinc/16/96/43/488169643.db2.gz WRXSEMCSTMOHDJ-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP COC[C@@]1(C(=O)Nc2cc[nH+]cc2C)CCC[NH2+]1 ZINC000649320711 398143741 /nfs/dbraw/zinc/14/37/41/398143741.db2.gz YHLCPLDBTONGBB-CYBMUJFWSA-N 2 2 249.314 0.519 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+][C@@]2(C)CCOC2)n1C ZINC000161655186 349488786 /nfs/dbraw/zinc/48/87/86/349488786.db2.gz MJLRDLXLMGEKLX-LBPRGKRZSA-N 2 2 238.335 0.755 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCc2ncn(C)n2)C[N@@H+]1C1CC1 ZINC000161719091 349489345 /nfs/dbraw/zinc/48/93/45/349489345.db2.gz BUDCRESREKXDMS-MNOVXSKESA-N 2 2 249.362 0.572 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCc2ncn(C)n2)C[N@H+]1C1CC1 ZINC000161719091 349489350 /nfs/dbraw/zinc/48/93/50/349489350.db2.gz BUDCRESREKXDMS-MNOVXSKESA-N 2 2 249.362 0.572 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCCS(C)(=O)=O)CC[N@@H+]1C ZINC000156240074 136213591 /nfs/dbraw/zinc/21/35/91/136213591.db2.gz FUFITFWNDRFLIS-GHMZBOCLSA-N 2 2 248.392 0.493 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCCS(C)(=O)=O)CC[N@H+]1C ZINC000156240074 136213592 /nfs/dbraw/zinc/21/35/92/136213592.db2.gz FUFITFWNDRFLIS-GHMZBOCLSA-N 2 2 248.392 0.493 20 0 BCADLP COCC[C@H](C)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000162338057 136214702 /nfs/dbraw/zinc/21/47/02/136214702.db2.gz ZQVXZLKAVCIZLG-VHSXEESVSA-N 2 2 202.298 0.071 20 0 BCADLP COCC[C@H](C)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000162338057 136214703 /nfs/dbraw/zinc/21/47/03/136214703.db2.gz ZQVXZLKAVCIZLG-VHSXEESVSA-N 2 2 202.298 0.071 20 0 BCADLP COCCOCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422907611 398157290 /nfs/dbraw/zinc/15/72/90/398157290.db2.gz XFHDEHJLJFCDOK-WDEREUQCSA-N 2 2 216.325 0.237 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CC[C@H]2O)n1C ZINC000424204557 398174810 /nfs/dbraw/zinc/17/48/10/398174810.db2.gz SZDVXLRFESIDDK-NXEZZACHSA-N 2 2 224.308 0.099 20 0 BCADLP C[NH2+]Cc1cn(Cc2ccc[nH+]c2C)nn1 ZINC000390511011 398176340 /nfs/dbraw/zinc/17/63/40/398176340.db2.gz ZFXICWKWVDQVMV-UHFFFAOYSA-N 2 2 217.276 0.749 20 0 BCADLP Cn1ncc(C[NH2+]CC2=CC[N@H+](C)CC2)n1 ZINC000293229678 398180248 /nfs/dbraw/zinc/18/02/48/398180248.db2.gz KPUKXDKGYJWTMO-UHFFFAOYSA-N 2 2 221.308 0.167 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)CC(C)(C)[NH3+] ZINC000380200142 398191751 /nfs/dbraw/zinc/19/17/51/398191751.db2.gz CKQFAOUEHWPVFS-UHFFFAOYSA-N 2 2 210.281 0.462 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647796799 398201738 /nfs/dbraw/zinc/20/17/38/398201738.db2.gz OCYDZNUTGCHAQC-WUHRBBMRSA-N 3 2 225.380 0.914 20 0 BCADLP COc1cc[nH+]cc1Cn1cc(C[NH3+])nn1 ZINC000380779881 398207581 /nfs/dbraw/zinc/20/75/81/398207581.db2.gz BOCRTIYBBIINMN-UHFFFAOYSA-N 2 2 219.248 0.189 20 0 BCADLP Cc1cc(NC[C@@H](C)N2CC[NH+](C)CC2)nc[nH+]1 ZINC000301265240 178165212 /nfs/dbraw/zinc/16/52/12/178165212.db2.gz WDPAABWGHASGJW-GFCCVEGCSA-N 2 2 249.362 0.833 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC[NH2+]C2)C1 ZINC000649414235 398213114 /nfs/dbraw/zinc/21/31/14/398213114.db2.gz NQJYTJYZDGWIKB-STQMWFEESA-N 3 2 225.380 0.870 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC[NH2+]C2)C1 ZINC000649414235 398213115 /nfs/dbraw/zinc/21/31/15/398213115.db2.gz NQJYTJYZDGWIKB-STQMWFEESA-N 3 2 225.380 0.870 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000649414235 398213118 /nfs/dbraw/zinc/21/31/18/398213118.db2.gz NQJYTJYZDGWIKB-STQMWFEESA-N 3 2 225.380 0.870 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000649414235 398213122 /nfs/dbraw/zinc/21/31/22/398213122.db2.gz NQJYTJYZDGWIKB-STQMWFEESA-N 3 2 225.380 0.870 20 0 BCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000639017078 398222514 /nfs/dbraw/zinc/22/25/14/398222514.db2.gz RFOBMECXFKLWGK-NXEZZACHSA-N 2 2 236.319 0.756 20 0 BCADLP CC[NH+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC000073639358 343990510 /nfs/dbraw/zinc/99/05/10/343990510.db2.gz JFLAOMRIFLEFIG-LLVKDONJSA-N 2 2 238.335 0.730 20 0 BCADLP Oc1cccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000576488385 365608830 /nfs/dbraw/zinc/60/88/30/365608830.db2.gz OTYDYZPTLWERBA-CYBMUJFWSA-N 2 2 236.315 0.860 20 0 BCADLP CCOC[C@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000576511618 365613851 /nfs/dbraw/zinc/61/38/51/365613851.db2.gz KXGWHOPCACNEBA-NXEZZACHSA-N 2 2 239.319 0.254 20 0 BCADLP CCOC[C@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000576511618 365613856 /nfs/dbraw/zinc/61/38/56/365613856.db2.gz KXGWHOPCACNEBA-NXEZZACHSA-N 2 2 239.319 0.254 20 0 BCADLP CN(C)C(=O)C(C)(C)[NH2+]Cc1c[nH+]c[nH]1 ZINC000379913469 365655742 /nfs/dbraw/zinc/65/57/42/365655742.db2.gz ADSRFHVXYMRXSS-UHFFFAOYSA-N 2 2 210.281 0.366 20 0 BCADLP [NH3+][C@@H](C(=O)NC[C@@H]1CCC[NH2+]1)c1cscn1 ZINC000576696208 365659925 /nfs/dbraw/zinc/65/99/25/365659925.db2.gz FPBADAKPQNEPGC-IONNQARKSA-N 2 2 240.332 0.011 20 0 BCADLP CC(C)[NH+]1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000036190099 398257524 /nfs/dbraw/zinc/25/75/24/398257524.db2.gz SOPIBLRGCWRBKX-SNVBAGLBSA-N 2 2 243.376 0.202 20 0 BCADLP C[NH2+]CCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000381485302 398259379 /nfs/dbraw/zinc/25/93/79/398259379.db2.gz HWWYUCVOZSXOPS-UHFFFAOYSA-N 3 2 211.353 0.812 20 0 BCADLP C[NH2+]CCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000381485302 398259382 /nfs/dbraw/zinc/25/93/82/398259382.db2.gz HWWYUCVOZSXOPS-UHFFFAOYSA-N 3 2 211.353 0.812 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000576714046 365667611 /nfs/dbraw/zinc/66/76/11/365667611.db2.gz KFAMTJUAJXJLIZ-CYDGBPFRSA-N 2 2 244.379 0.797 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000576714046 365667616 /nfs/dbraw/zinc/66/76/16/365667616.db2.gz KFAMTJUAJXJLIZ-CYDGBPFRSA-N 2 2 244.379 0.797 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000576714046 365667620 /nfs/dbraw/zinc/66/76/20/365667620.db2.gz KFAMTJUAJXJLIZ-CYDGBPFRSA-N 2 2 244.379 0.797 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000576714046 365667625 /nfs/dbraw/zinc/66/76/25/365667625.db2.gz KFAMTJUAJXJLIZ-CYDGBPFRSA-N 2 2 244.379 0.797 20 0 BCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CO[C@H](C)C1 ZINC000647178654 398264856 /nfs/dbraw/zinc/26/48/56/398264856.db2.gz BMQXTODLIDORJV-JHJVBQTASA-N 2 2 242.363 0.864 20 0 BCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CO[C@H](C)C1 ZINC000647178654 398264861 /nfs/dbraw/zinc/26/48/61/398264861.db2.gz BMQXTODLIDORJV-JHJVBQTASA-N 2 2 242.363 0.864 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@H]1O ZINC000378738762 346819472 /nfs/dbraw/zinc/81/94/72/346819472.db2.gz OBFFSEKZRZEGNC-KXGXSXBTSA-N 2 2 210.321 0.582 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@H]1O ZINC000378738762 346819474 /nfs/dbraw/zinc/81/94/74/346819474.db2.gz OBFFSEKZRZEGNC-KXGXSXBTSA-N 2 2 210.321 0.582 20 0 BCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CO[C@H](C)C1 ZINC000647178653 398264717 /nfs/dbraw/zinc/26/47/17/398264717.db2.gz BMQXTODLIDORJV-FRRDWIJNSA-N 2 2 242.363 0.864 20 0 BCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CO[C@H](C)C1 ZINC000647178653 398264722 /nfs/dbraw/zinc/26/47/22/398264722.db2.gz BMQXTODLIDORJV-FRRDWIJNSA-N 2 2 242.363 0.864 20 0 BCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CO[C@@H](C)C1 ZINC000647178656 398264918 /nfs/dbraw/zinc/26/49/18/398264918.db2.gz BMQXTODLIDORJV-YNEHKIRRSA-N 2 2 242.363 0.864 20 0 BCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CO[C@@H](C)C1 ZINC000647178656 398264922 /nfs/dbraw/zinc/26/49/22/398264922.db2.gz BMQXTODLIDORJV-YNEHKIRRSA-N 2 2 242.363 0.864 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2O)C[N@@H+]1C1CC1 ZINC000378751501 346827084 /nfs/dbraw/zinc/82/70/84/346827084.db2.gz VCUUSNTXWYEOBI-RBLKWDMZSA-N 2 2 210.321 0.725 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2O)C[N@H+]1C1CC1 ZINC000378751501 346827086 /nfs/dbraw/zinc/82/70/86/346827086.db2.gz VCUUSNTXWYEOBI-RBLKWDMZSA-N 2 2 210.321 0.725 20 0 BCADLP C[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)C[C@H]1[NH3+] ZINC000335381305 136234960 /nfs/dbraw/zinc/23/49/60/136234960.db2.gz QLZAKHXQFGGECE-MWLCHTKSSA-N 2 2 244.298 0.754 20 0 BCADLP C[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000146156276 342767137 /nfs/dbraw/zinc/76/71/37/342767137.db2.gz FPLGWCAWTYBQTG-UHFFFAOYSA-N 2 2 222.292 0.047 20 0 BCADLP C[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000146156276 342767139 /nfs/dbraw/zinc/76/71/39/342767139.db2.gz FPLGWCAWTYBQTG-UHFFFAOYSA-N 2 2 222.292 0.047 20 0 BCADLP C[N@H+](CC(=O)NCC1CC1)C1CC[NH2+]CC1 ZINC000036300889 342809087 /nfs/dbraw/zinc/80/90/87/342809087.db2.gz XUUCXQJFOFQXNF-UHFFFAOYSA-N 2 2 225.336 0.196 20 0 BCADLP C[N@@H+](CC(=O)NCC1CC1)C1CC[NH2+]CC1 ZINC000036300889 342809088 /nfs/dbraw/zinc/80/90/88/342809088.db2.gz XUUCXQJFOFQXNF-UHFFFAOYSA-N 2 2 225.336 0.196 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)CC[NH2+]C1CC1 ZINC000380229164 346863942 /nfs/dbraw/zinc/86/39/42/346863942.db2.gz PZEGNLCSPFQAJR-UHFFFAOYSA-N 2 2 222.292 0.476 20 0 BCADLP C=Cn1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000381198275 538996235 /nfs/dbraw/zinc/99/62/35/538996235.db2.gz AOCNDXGZINISNE-TXEJJXNPSA-N 2 2 218.304 0.635 20 0 BCADLP C=Cn1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000381198275 538996236 /nfs/dbraw/zinc/99/62/36/538996236.db2.gz AOCNDXGZINISNE-TXEJJXNPSA-N 2 2 218.304 0.635 20 0 BCADLP COC(=O)[C@@](C)([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000536605924 398303834 /nfs/dbraw/zinc/30/38/34/398303834.db2.gz PPZYKZWUUJPJBQ-LBPRGKRZSA-N 2 2 237.303 0.814 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)C1(C(N)=O)CCCC1 ZINC000093214671 398310010 /nfs/dbraw/zinc/31/00/10/398310010.db2.gz HQTUAMZYIJUEPH-UHFFFAOYSA-N 2 2 236.319 0.613 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000167329882 136245425 /nfs/dbraw/zinc/24/54/25/136245425.db2.gz GJROZNCNXIBHMY-DTWKUNHWSA-N 2 2 201.314 0.051 20 0 BCADLP CC(C)[NH2+]CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000037477209 488186388 /nfs/dbraw/zinc/18/63/88/488186388.db2.gz SJLQYWCSRHCOBS-SNVBAGLBSA-N 2 2 224.308 0.386 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)C)C[C@@H]1C ZINC000351518115 136246736 /nfs/dbraw/zinc/24/67/36/136246736.db2.gz LAZUFZQVPLFALP-RYUDHWBXSA-N 2 2 241.379 0.879 20 0 BCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)C)C[C@@H]1C ZINC000351518115 136246737 /nfs/dbraw/zinc/24/67/37/136246737.db2.gz LAZUFZQVPLFALP-RYUDHWBXSA-N 2 2 241.379 0.879 20 0 BCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)C)C[C@@H]1C ZINC000351518115 136246738 /nfs/dbraw/zinc/24/67/38/136246738.db2.gz LAZUFZQVPLFALP-RYUDHWBXSA-N 2 2 241.379 0.879 20 0 BCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)C)C[C@@H]1C ZINC000351518115 136246739 /nfs/dbraw/zinc/24/67/39/136246739.db2.gz LAZUFZQVPLFALP-RYUDHWBXSA-N 2 2 241.379 0.879 20 0 BCADLP CC[NH+](CC)CCC[N@H+](C)[C@H]1COC[C@H]1O ZINC000352800885 398323659 /nfs/dbraw/zinc/32/36/59/398323659.db2.gz QRGLXDFBJNGEFC-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](CC)CCC[N@@H+](C)[C@H]1COC[C@H]1O ZINC000352800885 398323660 /nfs/dbraw/zinc/32/36/60/398323660.db2.gz QRGLXDFBJNGEFC-NWDGAFQWSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](CC)CCC[N@H+](C)[C@H]1COC[C@@H]1O ZINC000352800886 398323680 /nfs/dbraw/zinc/32/36/80/398323680.db2.gz QRGLXDFBJNGEFC-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](CC)CCC[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000352800886 398323681 /nfs/dbraw/zinc/32/36/81/398323681.db2.gz QRGLXDFBJNGEFC-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)C[NH2+]C1CC1 ZINC000037823020 398334573 /nfs/dbraw/zinc/33/45/73/398334573.db2.gz LLFGJDWGEWWRPG-UHFFFAOYSA-N 2 2 222.292 0.131 20 0 BCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]CC1(O)CCC1 ZINC000576816529 365692725 /nfs/dbraw/zinc/69/27/25/365692725.db2.gz WZJYAKMQFWLGLB-GFCCVEGCSA-N 2 2 242.363 0.602 20 0 BCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]CC1(O)CCC1 ZINC000576816529 365692727 /nfs/dbraw/zinc/69/27/27/365692727.db2.gz WZJYAKMQFWLGLB-GFCCVEGCSA-N 2 2 242.363 0.602 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)NCC[C@H](C)[NH3+] ZINC000493186993 529554354 /nfs/dbraw/zinc/55/43/54/529554354.db2.gz LJVQYBDLYHYQNQ-YEZKRMTDSA-N 2 2 236.319 0.770 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N(C)C1CC([NH3+])C1 ZINC000493671537 529555945 /nfs/dbraw/zinc/55/59/45/529555945.db2.gz BCUZEYOMXLQVRA-PLNGDYQASA-N 2 2 248.330 0.864 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N[C@H](C[NH3+])C1CC1 ZINC000493057912 529556482 /nfs/dbraw/zinc/55/64/82/529556482.db2.gz VTKLNCUMSOAUMZ-MVIFTORASA-N 2 2 248.330 0.770 20 0 BCADLP CCn1cc[nH+]c1/C=C\C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000493057910 529560645 /nfs/dbraw/zinc/56/06/45/529560645.db2.gz VTKLNCUMSOAUMZ-GZTOBOFZSA-N 2 2 248.330 0.770 20 0 BCADLP COC(=O)C[N@H+](C)CCc1c[nH+]cn1C ZINC000602765962 349721602 /nfs/dbraw/zinc/72/16/02/349721602.db2.gz JAGPHUZACWQCGK-UHFFFAOYSA-N 2 2 211.265 0.067 20 0 BCADLP COC(=O)C[N@@H+](C)CCc1c[nH+]cn1C ZINC000602765962 349721605 /nfs/dbraw/zinc/72/16/05/349721605.db2.gz JAGPHUZACWQCGK-UHFFFAOYSA-N 2 2 211.265 0.067 20 0 BCADLP CC[C@@](C)([NH2+]CCc1c[nH+]cn1C)C(=O)OC ZINC000602798299 349738976 /nfs/dbraw/zinc/73/89/76/349738976.db2.gz JVIMGOLCWLJMIE-GFCCVEGCSA-N 2 2 239.319 0.894 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531577 343008956 /nfs/dbraw/zinc/00/89/56/343008956.db2.gz WXQJOVLFQPEXRP-DTWKUNHWSA-N 2 2 200.282 0.219 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531577 343008958 /nfs/dbraw/zinc/00/89/58/343008958.db2.gz WXQJOVLFQPEXRP-DTWKUNHWSA-N 2 2 200.282 0.219 20 0 BCADLP C[C@@H]1CC[N@H+](CCNCc2[nH]cc[nH+]2)C1 ZINC000309092297 259342311 /nfs/dbraw/zinc/34/23/11/259342311.db2.gz BOKBAZXSHIRBKL-SNVBAGLBSA-N 2 2 208.309 0.841 20 0 BCADLP C[C@@H]1CC[N@@H+](CCNCc2[nH]cc[nH+]2)C1 ZINC000309092297 259342313 /nfs/dbraw/zinc/34/23/13/259342313.db2.gz BOKBAZXSHIRBKL-SNVBAGLBSA-N 2 2 208.309 0.841 20 0 BCADLP Cn1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)n1 ZINC000236095225 343074135 /nfs/dbraw/zinc/07/41/35/343074135.db2.gz NNHWMMQMUMMWNS-LLVKDONJSA-N 2 2 208.309 0.591 20 0 BCADLP Cn1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)n1 ZINC000236095225 343074136 /nfs/dbraw/zinc/07/41/36/343074136.db2.gz NNHWMMQMUMMWNS-LLVKDONJSA-N 2 2 208.309 0.591 20 0 BCADLP Cc1nc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)no1 ZINC000082475046 362024904 /nfs/dbraw/zinc/02/49/04/362024904.db2.gz XVOFSFBZEGCFEZ-MRVPVSSYSA-N 2 2 224.308 0.937 20 0 BCADLP Cc1nc(C[NH+]2CCC([C@H](C)[NH3+])CC2)no1 ZINC000082475047 362025260 /nfs/dbraw/zinc/02/52/60/362025260.db2.gz XVOFSFBZEGCFEZ-QMMMGPOBSA-N 2 2 224.308 0.937 20 0 BCADLP COC(=O)[C@@H]([NH2+]CCn1cc[nH+]c1C)C(C)C ZINC000049330076 343103512 /nfs/dbraw/zinc/10/35/12/343103512.db2.gz YYFKRJISOZXCPP-NSHDSACASA-N 2 2 239.319 0.979 20 0 BCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[NH2+]CC1 ZINC000026513147 343106691 /nfs/dbraw/zinc/10/66/91/343106691.db2.gz WHZWFQSRELOKQY-LLVKDONJSA-N 2 2 227.352 0.539 20 0 BCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1CCC[NH2+]CC1 ZINC000026513147 343106692 /nfs/dbraw/zinc/10/66/92/343106692.db2.gz WHZWFQSRELOKQY-LLVKDONJSA-N 2 2 227.352 0.539 20 0 BCADLP O[C@H](C[NH2+]CCn1cc[nH+]c1)C(F)(F)F ZINC000082680917 362100257 /nfs/dbraw/zinc/10/02/57/362100257.db2.gz BWRZMQWFPRARAO-SSDOTTSWSA-N 2 2 223.198 0.396 20 0 BCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000092951097 343149056 /nfs/dbraw/zinc/14/90/56/343149056.db2.gz VEPHQEBYCFZSKV-MNOVXSKESA-N 2 2 236.319 0.387 20 0 BCADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC000121987320 343157555 /nfs/dbraw/zinc/15/75/55/343157555.db2.gz BBLXXYKBWHAGLJ-NSHDSACASA-N 2 2 237.351 0.635 20 0 BCADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC000121987320 343157557 /nfs/dbraw/zinc/15/75/57/343157557.db2.gz BBLXXYKBWHAGLJ-NSHDSACASA-N 2 2 237.351 0.635 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1CCCCC1 ZINC000124599372 343163183 /nfs/dbraw/zinc/16/31/83/343163183.db2.gz VAAPDYJQGXXKMH-NWDGAFQWSA-N 2 2 239.363 0.811 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1CCCCC1 ZINC000124599372 343163185 /nfs/dbraw/zinc/16/31/85/343163185.db2.gz VAAPDYJQGXXKMH-NWDGAFQWSA-N 2 2 239.363 0.811 20 0 BCADLP O=C(CC[NH2+]C1CC1)NCCc1[nH]cc[nH+]1 ZINC000125151063 343166024 /nfs/dbraw/zinc/16/60/24/343166024.db2.gz MQKIGGFYEBRYFG-UHFFFAOYSA-N 2 2 222.292 0.211 20 0 BCADLP Cn1ccc(C[N@H+](C)CC(C)(C)C[NH3+])n1 ZINC000123994432 343166361 /nfs/dbraw/zinc/16/63/61/343166361.db2.gz XDUCZSQEYYIHJJ-UHFFFAOYSA-N 2 2 210.325 0.837 20 0 BCADLP Cn1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])n1 ZINC000123994432 343166363 /nfs/dbraw/zinc/16/63/63/343166363.db2.gz XDUCZSQEYYIHJJ-UHFFFAOYSA-N 2 2 210.325 0.837 20 0 BCADLP CCn1ncnc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000126880210 343171196 /nfs/dbraw/zinc/17/11/96/343171196.db2.gz TYAZZRAIWIRBIY-VHSXEESVSA-N 2 2 223.324 0.467 20 0 BCADLP CCn1ncnc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000126880210 343171197 /nfs/dbraw/zinc/17/11/97/343171197.db2.gz TYAZZRAIWIRBIY-VHSXEESVSA-N 2 2 223.324 0.467 20 0 BCADLP CCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000133619813 343185579 /nfs/dbraw/zinc/18/55/79/343185579.db2.gz FKGLDNGIHHNMKJ-UWVGGRQHSA-N 2 2 213.325 0.324 20 0 BCADLP CCCNC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000133619813 343185581 /nfs/dbraw/zinc/18/55/81/343185581.db2.gz FKGLDNGIHHNMKJ-UWVGGRQHSA-N 2 2 213.325 0.324 20 0 BCADLP [NH3+]CC[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000082491434 136276851 /nfs/dbraw/zinc/27/68/51/136276851.db2.gz KTKZVBBVFLCJQI-UHFFFAOYSA-N 2 2 225.336 0.422 20 0 BCADLP COc1c(N)[nH+]cnc1N(C)CC[NH+](C)C ZINC000134892681 343191699 /nfs/dbraw/zinc/19/16/99/343191699.db2.gz JNGDZGHXUAOARV-UHFFFAOYSA-N 2 2 225.296 0.065 20 0 BCADLP Cn1nccc1CC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000634687881 343245345 /nfs/dbraw/zinc/24/53/45/343245345.db2.gz BTMIJNHMQQLXDX-WCQYABFASA-N 2 2 234.347 0.646 20 0 BCADLP Cn1nccc1CC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000634687881 343245347 /nfs/dbraw/zinc/24/53/47/343245347.db2.gz BTMIJNHMQQLXDX-WCQYABFASA-N 2 2 234.347 0.646 20 0 BCADLP C[C@H]1CC[C@H](C[N@@H+]2CC3CC2(C[NH3+])C3)O1 ZINC000634688210 343246351 /nfs/dbraw/zinc/24/63/51/343246351.db2.gz LVYBYWDOHXUCMX-UZEXVOJHSA-N 2 2 210.321 0.977 20 0 BCADLP C[C@H]1CC[C@H](C[N@H+]2CC3CC2(C[NH3+])C3)O1 ZINC000634688210 343246353 /nfs/dbraw/zinc/24/63/53/343246353.db2.gz LVYBYWDOHXUCMX-UZEXVOJHSA-N 2 2 210.321 0.977 20 0 BCADLP C[NH2+]C(C)(C)c1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641035113 362146775 /nfs/dbraw/zinc/14/67/75/362146775.db2.gz CRIXKYKDFQGGNV-UHFFFAOYSA-N 2 2 220.280 0.504 20 0 BCADLP Cc1nn(C)cc1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000335635316 136300731 /nfs/dbraw/zinc/30/07/31/136300731.db2.gz KBAQAPJCOWKZBK-CABZTGNLSA-N 2 2 222.336 0.816 20 0 BCADLP Cc1n[nH]cc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000335644272 136303830 /nfs/dbraw/zinc/30/38/30/136303830.db2.gz RNSHDFOHPVQPAF-NSHDSACASA-N 2 2 208.309 0.950 20 0 BCADLP C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000584087207 343378107 /nfs/dbraw/zinc/37/81/07/343378107.db2.gz RAXWAFUZPUYPNQ-QWRGUYRKSA-N 2 2 236.319 0.482 20 0 BCADLP C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC000584087207 343378109 /nfs/dbraw/zinc/37/81/09/343378109.db2.gz RAXWAFUZPUYPNQ-QWRGUYRKSA-N 2 2 236.319 0.482 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[NH2+]CC1CC1 ZINC000037612439 343349036 /nfs/dbraw/zinc/34/90/36/343349036.db2.gz UOWSIZFCSHRDPX-JTQLQIEISA-N 2 2 236.319 0.387 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[NH2+]CC1CC1 ZINC000037612441 343349054 /nfs/dbraw/zinc/34/90/54/343349054.db2.gz UOWSIZFCSHRDPX-SNVBAGLBSA-N 2 2 236.319 0.387 20 0 BCADLP CC(C)N1CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1=O ZINC000335651004 136305194 /nfs/dbraw/zinc/30/51/94/136305194.db2.gz NDVPKZOVBWUVMX-MNOVXSKESA-N 2 2 225.336 0.337 20 0 BCADLP Cc1noc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000166231689 136315367 /nfs/dbraw/zinc/31/53/67/136315367.db2.gz CLHUPXHZCQRRCE-VXNVDRBHSA-N 2 2 210.281 0.547 20 0 BCADLP Cc1noc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000166231689 136315368 /nfs/dbraw/zinc/31/53/68/136315368.db2.gz CLHUPXHZCQRRCE-VXNVDRBHSA-N 2 2 210.281 0.547 20 0 BCADLP Cc1noc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000166231564 136315405 /nfs/dbraw/zinc/31/54/05/136315405.db2.gz CLHUPXHZCQRRCE-APPZFPTMSA-N 2 2 210.281 0.547 20 0 BCADLP Cc1noc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000166231564 136315406 /nfs/dbraw/zinc/31/54/06/136315406.db2.gz CLHUPXHZCQRRCE-APPZFPTMSA-N 2 2 210.281 0.547 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CCO)CC1 ZINC000310236254 343398993 /nfs/dbraw/zinc/39/89/93/343398993.db2.gz IHLSHKGEYBCWFJ-CYBMUJFWSA-N 2 2 244.379 0.393 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CCO)CC1 ZINC000310236254 343398994 /nfs/dbraw/zinc/39/89/94/343398994.db2.gz IHLSHKGEYBCWFJ-CYBMUJFWSA-N 2 2 244.379 0.393 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)CCOC1C[NH2+]C1 ZINC000349047557 136321006 /nfs/dbraw/zinc/32/10/06/136321006.db2.gz GZOIYPLGCAPLGY-UHFFFAOYSA-N 2 2 235.287 0.129 20 0 BCADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N2CCC2)CC[N@@H+]1C ZINC000335736014 136350054 /nfs/dbraw/zinc/35/00/54/136350054.db2.gz JHVCISOLLYMDSB-VXGBXAGGSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N2CCC2)CC[N@H+]1C ZINC000335736014 136350055 /nfs/dbraw/zinc/35/00/55/136350055.db2.gz JHVCISOLLYMDSB-VXGBXAGGSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CCC2)CC[NH+]1C ZINC000335736014 136350056 /nfs/dbraw/zinc/35/00/56/136350056.db2.gz JHVCISOLLYMDSB-VXGBXAGGSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N2CCC2)CC[NH+]1C ZINC000335736014 136350057 /nfs/dbraw/zinc/35/00/57/136350057.db2.gz JHVCISOLLYMDSB-VXGBXAGGSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000081900907 343434030 /nfs/dbraw/zinc/43/40/30/343434030.db2.gz FBOMVVZNLZZLBQ-ZJUUUORDSA-N 2 2 236.381 0.349 20 0 BCADLP Cc1[nH]c(Cn2cc(C[NH2+]C3CC3)nn2)[nH+]c1C ZINC000641156719 362241469 /nfs/dbraw/zinc/24/14/69/362241469.db2.gz UNGKWEKASRXWGL-UHFFFAOYSA-N 2 2 246.318 0.918 20 0 BCADLP CCC[N@H+](C)CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351110416 136367810 /nfs/dbraw/zinc/36/78/10/136367810.db2.gz CIVSWHFZXVPPQS-SDDRHHMPSA-N 2 2 239.363 0.524 20 0 BCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351110416 136367811 /nfs/dbraw/zinc/36/78/11/136367811.db2.gz CIVSWHFZXVPPQS-SDDRHHMPSA-N 2 2 239.363 0.524 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2nn[nH]c2C1 ZINC000351606168 136369685 /nfs/dbraw/zinc/36/96/85/136369685.db2.gz BDOJEOCIFFTTEN-UHFFFAOYSA-N 2 2 246.318 0.758 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2nn[nH]c2C1 ZINC000351606168 136369686 /nfs/dbraw/zinc/36/96/86/136369686.db2.gz BDOJEOCIFFTTEN-UHFFFAOYSA-N 2 2 246.318 0.758 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2n[nH]nc2C1 ZINC000351606168 136369687 /nfs/dbraw/zinc/36/96/87/136369687.db2.gz BDOJEOCIFFTTEN-UHFFFAOYSA-N 2 2 246.318 0.758 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2n[nH]nc2C1 ZINC000351606168 136369688 /nfs/dbraw/zinc/36/96/88/136369688.db2.gz BDOJEOCIFFTTEN-UHFFFAOYSA-N 2 2 246.318 0.758 20 0 BCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH+](C)C ZINC000616489261 343475373 /nfs/dbraw/zinc/47/53/73/343475373.db2.gz STKPCQJEUXIVRQ-VIFPVBQESA-N 2 2 224.308 0.029 20 0 BCADLP C[C@@H]1CN(Cc2[nH+]ccn2C)[C@H](C)C[NH2+]1 ZINC000083086101 343476407 /nfs/dbraw/zinc/47/64/07/343476407.db2.gz UCVGIEWVGFEIOU-NXEZZACHSA-N 2 2 208.309 0.602 20 0 BCADLP CC[N@H+](C[C@H](O)C[NH+](C)CCOC)CC1CC1 ZINC000310547264 343529509 /nfs/dbraw/zinc/52/95/09/343529509.db2.gz SSXWCOVFBGHZQY-CYBMUJFWSA-N 2 2 244.379 0.657 20 0 BCADLP CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)CC1CC1 ZINC000310547264 343529511 /nfs/dbraw/zinc/52/95/11/343529511.db2.gz SSXWCOVFBGHZQY-CYBMUJFWSA-N 2 2 244.379 0.657 20 0 BCADLP CC[NH+](C[C@H](O)C[N@H+](C)CCOC)CC1CC1 ZINC000310547264 343529515 /nfs/dbraw/zinc/52/95/15/343529515.db2.gz SSXWCOVFBGHZQY-CYBMUJFWSA-N 2 2 244.379 0.657 20 0 BCADLP CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)CC1CC1 ZINC000310547264 343529519 /nfs/dbraw/zinc/52/95/19/343529519.db2.gz SSXWCOVFBGHZQY-CYBMUJFWSA-N 2 2 244.379 0.657 20 0 BCADLP COC[C@H](C)C[NH2+]CC[NH+]1CCCC1 ZINC000163298695 323049540 /nfs/dbraw/zinc/04/95/40/323049540.db2.gz YSBAGNOAEUKNDC-LLVKDONJSA-N 2 2 200.326 0.954 20 0 BCADLP CC[C@@H](CO)[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000668201827 488222732 /nfs/dbraw/zinc/22/27/32/488222732.db2.gz JYKQMMITLHXGEA-JTQLQIEISA-N 2 2 211.309 0.931 20 0 BCADLP CC[C@@H](CO)[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000668201827 488222735 /nfs/dbraw/zinc/22/27/35/488222735.db2.gz JYKQMMITLHXGEA-JTQLQIEISA-N 2 2 211.309 0.931 20 0 BCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000086272193 343616046 /nfs/dbraw/zinc/61/60/46/343616046.db2.gz GAXUEWKYRBPMCN-HTQZYQBOSA-N 2 2 208.265 0.024 20 0 BCADLP C[NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000052395883 343600808 /nfs/dbraw/zinc/60/08/08/343600808.db2.gz ZAMWLFFLAFCLOY-NSHDSACASA-N 2 2 248.330 0.338 20 0 BCADLP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2COCC[NH2+]2)cc1 ZINC000178190327 346949056 /nfs/dbraw/zinc/94/90/56/346949056.db2.gz ZKCUGCOLOPRJRB-BXKDBHETSA-N 2 2 249.314 0.633 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]CC1(O)CCC1 ZINC000577054671 365794746 /nfs/dbraw/zinc/79/47/46/365794746.db2.gz GHQXFELEJMBATN-SNVBAGLBSA-N 2 2 209.293 0.776 20 0 BCADLP CC[N@H+](C)C[C@@H](O)CN1CCc2[nH+]c[nH]c2C1 ZINC000625434614 343735683 /nfs/dbraw/zinc/73/56/83/343735683.db2.gz CPRPAAMNPKEVJU-SNVBAGLBSA-N 2 2 238.335 0.080 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)CN1CCc2[nH+]c[nH]c2C1 ZINC000625434614 343735687 /nfs/dbraw/zinc/73/56/87/343735687.db2.gz CPRPAAMNPKEVJU-SNVBAGLBSA-N 2 2 238.335 0.080 20 0 BCADLP c1cn(CC[N@@H+]2CCc3nc[nH]c3C2)c[nH+]1 ZINC000625437916 343740318 /nfs/dbraw/zinc/74/03/18/343740318.db2.gz VUWUMXQTLHMQIX-UHFFFAOYSA-N 2 2 217.276 0.665 20 0 BCADLP c1cn(CC[N@H+]2CCc3nc[nH]c3C2)c[nH+]1 ZINC000625437916 343740320 /nfs/dbraw/zinc/74/03/20/343740320.db2.gz VUWUMXQTLHMQIX-UHFFFAOYSA-N 2 2 217.276 0.665 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCN2CC[C@H](O)C2)CC[N@@H+]1C ZINC000624335553 343717935 /nfs/dbraw/zinc/71/79/35/343717935.db2.gz VDJHLJIOBJBOQB-AGIUHOORSA-N 2 2 241.379 0.125 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]CCN2CC[C@H](O)C2)CC[N@H+]1C ZINC000624335553 343717936 /nfs/dbraw/zinc/71/79/36/343717936.db2.gz VDJHLJIOBJBOQB-AGIUHOORSA-N 2 2 241.379 0.125 20 0 BCADLP Cc1[nH+]cc(C[N@@H+](C[C@H](O)CO)C(C)C)n1C ZINC000668245252 537807641 /nfs/dbraw/zinc/80/76/41/537807641.db2.gz YGTYFFCVHUHOBL-LBPRGKRZSA-N 2 2 241.335 0.292 20 0 BCADLP Cc1[nH+]cc(C[N@H+](C[C@H](O)CO)C(C)C)n1C ZINC000668245252 537807647 /nfs/dbraw/zinc/80/76/47/537807647.db2.gz YGTYFFCVHUHOBL-LBPRGKRZSA-N 2 2 241.335 0.292 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC(C(C)(C)O)C1 ZINC000570411041 323058944 /nfs/dbraw/zinc/05/89/44/323058944.db2.gz SUPPHIIVTJYHIK-NSHDSACASA-N 2 2 230.352 0.002 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC(C(C)(C)O)C1 ZINC000570411041 323058945 /nfs/dbraw/zinc/05/89/45/323058945.db2.gz SUPPHIIVTJYHIK-NSHDSACASA-N 2 2 230.352 0.002 20 0 BCADLP Cn1c[nH+]c(CN2CCC[C@H]([NH+](C)C)C2)c1 ZINC000683897513 488239421 /nfs/dbraw/zinc/23/94/21/488239421.db2.gz FCPBAYBZHHRYPV-LBPRGKRZSA-N 2 2 222.336 0.946 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)F)C1CC1 ZINC000634723204 343881097 /nfs/dbraw/zinc/88/10/97/343881097.db2.gz DILSWXCTGWENQA-JTQLQIEISA-N 2 2 218.316 0.779 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)F)C1CC1 ZINC000634723204 343881098 /nfs/dbraw/zinc/88/10/98/343881098.db2.gz DILSWXCTGWENQA-JTQLQIEISA-N 2 2 218.316 0.779 20 0 BCADLP C[N@H+](C[C@H](O)C[NH2+]CC(C)(C)F)C1CC1 ZINC000634723205 343881910 /nfs/dbraw/zinc/88/19/10/343881910.db2.gz DILSWXCTGWENQA-SNVBAGLBSA-N 2 2 218.316 0.779 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH2+]CC(C)(C)F)C1CC1 ZINC000634723205 343881911 /nfs/dbraw/zinc/88/19/11/343881911.db2.gz DILSWXCTGWENQA-SNVBAGLBSA-N 2 2 218.316 0.779 20 0 BCADLP CCn1cc(CC[N@H+](C)[C@@H](C)C[NH3+])cn1 ZINC000621774438 343897882 /nfs/dbraw/zinc/89/78/82/343897882.db2.gz UIVCGLMDRQLVLB-JTQLQIEISA-N 2 2 210.325 0.725 20 0 BCADLP CCn1cc(CC[N@@H+](C)[C@@H](C)C[NH3+])cn1 ZINC000621774438 343897886 /nfs/dbraw/zinc/89/78/86/343897886.db2.gz UIVCGLMDRQLVLB-JTQLQIEISA-N 2 2 210.325 0.725 20 0 BCADLP CCn1nccc1CC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000621776001 343898993 /nfs/dbraw/zinc/89/89/93/343898993.db2.gz AALYVSSBOXLMCN-UHFFFAOYSA-N 2 2 234.347 0.869 20 0 BCADLP CCn1nccc1CC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000621776001 343898994 /nfs/dbraw/zinc/89/89/94/343898994.db2.gz AALYVSSBOXLMCN-UHFFFAOYSA-N 2 2 234.347 0.869 20 0 BCADLP CN(C(=O)C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1)C1CC1 ZINC000621782535 343906045 /nfs/dbraw/zinc/90/60/45/343906045.db2.gz QDOXPOPWATVSOJ-ZWNOBZJWSA-N 2 2 237.347 0.420 20 0 BCADLP CN(C(=O)C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1)C1CC1 ZINC000621782535 343906046 /nfs/dbraw/zinc/90/60/46/343906046.db2.gz QDOXPOPWATVSOJ-ZWNOBZJWSA-N 2 2 237.347 0.420 20 0 BCADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CC(=O)NC)C1 ZINC000309404769 343942419 /nfs/dbraw/zinc/94/24/19/343942419.db2.gz ARHHYPSNIQCJAB-MNOVXSKESA-N 2 2 227.352 0.585 20 0 BCADLP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CC(=O)NC)C1 ZINC000309404769 343942420 /nfs/dbraw/zinc/94/24/20/343942420.db2.gz ARHHYPSNIQCJAB-MNOVXSKESA-N 2 2 227.352 0.585 20 0 BCADLP C[C@H]([NH3+])CCC(=O)N(C)Cc1[nH+]ccn1C ZINC000069839559 343943803 /nfs/dbraw/zinc/94/38/03/343943803.db2.gz JPDXJXANWZVNLY-VIFPVBQESA-N 2 2 224.308 0.506 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCOCCO)C1 ZINC000570694338 323067322 /nfs/dbraw/zinc/06/73/22/323067322.db2.gz FZFAPRPAKUDBID-NSHDSACASA-N 2 2 239.319 0.218 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCOCCO)C1 ZINC000570694338 323067323 /nfs/dbraw/zinc/06/73/23/323067323.db2.gz FZFAPRPAKUDBID-NSHDSACASA-N 2 2 239.319 0.218 20 0 BCADLP Cc1nn(C)cc1C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634733492 344113137 /nfs/dbraw/zinc/11/31/37/344113137.db2.gz GYUZZRZVUSREHX-OLZOCXBDSA-N 2 2 234.347 0.960 20 0 BCADLP [NH3+][C@@H]1CC[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000381187086 344136007 /nfs/dbraw/zinc/13/60/07/344136007.db2.gz XTXZORWVZJICRM-MNOVXSKESA-N 2 2 214.309 0.215 20 0 BCADLP [NH3+][C@@H]1CC[N@@H+](CCOC[C@@H]2CCCO2)C1 ZINC000381187086 344136009 /nfs/dbraw/zinc/13/60/09/344136009.db2.gz XTXZORWVZJICRM-MNOVXSKESA-N 2 2 214.309 0.215 20 0 BCADLP CC[NH+]1CCC([NH2+]Cc2cncn2C)CC1 ZINC000082393997 344154771 /nfs/dbraw/zinc/15/47/71/344154771.db2.gz QJYJUNDJXAYRAE-UHFFFAOYSA-N 2 2 222.336 0.994 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC2)C[N@@H+]1C1CC1 ZINC000130311811 344220597 /nfs/dbraw/zinc/22/05/97/344220597.db2.gz UPNNWGHIUFTQFF-MXWKQRLJSA-N 2 2 210.321 0.990 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC2)C[N@H+]1C1CC1 ZINC000130311811 344220600 /nfs/dbraw/zinc/22/06/00/344220600.db2.gz UPNNWGHIUFTQFF-MXWKQRLJSA-N 2 2 210.321 0.990 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC[C@H](C)[NH3+] ZINC000622044975 344229447 /nfs/dbraw/zinc/22/94/47/344229447.db2.gz YZDLLPWKMBKROS-HBNTYKKESA-N 3 2 215.341 0.080 20 0 BCADLP CC[C@H](CO)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000131995171 344244637 /nfs/dbraw/zinc/24/46/37/344244637.db2.gz ZENHJIDROXTYSW-AXFHLTTASA-N 2 2 212.337 0.972 20 0 BCADLP CC[C@H](CO)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000131995171 344244640 /nfs/dbraw/zinc/24/46/40/344244640.db2.gz ZENHJIDROXTYSW-AXFHLTTASA-N 2 2 212.337 0.972 20 0 BCADLP CC(C)[NH2+]CCC(=O)Nc1ccc(N)[nH+]c1 ZINC000131808926 344333893 /nfs/dbraw/zinc/33/38/93/344333893.db2.gz BYIJRKLGYVVCSV-UHFFFAOYSA-N 2 2 222.292 0.990 20 0 BCADLP CNC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000132493287 344302046 /nfs/dbraw/zinc/30/20/46/344302046.db2.gz BJKGMWOEMJYVEW-UTLUCORTSA-N 2 2 213.325 0.051 20 0 BCADLP CNC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000132493287 344302050 /nfs/dbraw/zinc/30/20/50/344302050.db2.gz BJKGMWOEMJYVEW-UTLUCORTSA-N 2 2 213.325 0.051 20 0 BCADLP CCC[NH2+][C@@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000584288665 344421878 /nfs/dbraw/zinc/42/18/78/344421878.db2.gz ZPQQEFVMPQZEDC-NSHDSACASA-N 2 2 238.335 0.778 20 0 BCADLP Cc1cc(N2CC[N@@H+](C)C[C@@H]2CO)nc(C)[nH+]1 ZINC000634801894 344385462 /nfs/dbraw/zinc/38/54/62/344385462.db2.gz POIOZBPUKPWIMI-LLVKDONJSA-N 2 2 236.319 0.206 20 0 BCADLP Cc1cc(N2CC[N@H+](C)C[C@@H]2CO)nc(C)[nH+]1 ZINC000634801894 344385463 /nfs/dbraw/zinc/38/54/63/344385463.db2.gz POIOZBPUKPWIMI-LLVKDONJSA-N 2 2 236.319 0.206 20 0 BCADLP c1nc(N2CCC[NH2+]CC2)c2c([nH+]1)NCCO2 ZINC000634807184 344392105 /nfs/dbraw/zinc/39/21/05/344392105.db2.gz AQQXFEVZFMKNHC-UHFFFAOYSA-N 2 2 235.291 0.081 20 0 BCADLP C[N@@H+]1CCc2ncnc(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)c2C1 ZINC000634810289 344394914 /nfs/dbraw/zinc/39/49/14/344394914.db2.gz RVXQARFJMBVBBT-GDGBQDQQSA-N 2 2 245.330 0.094 20 0 BCADLP C[N@H+]1CCc2ncnc(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)c2C1 ZINC000634810289 344394915 /nfs/dbraw/zinc/39/49/15/344394915.db2.gz RVXQARFJMBVBBT-GDGBQDQQSA-N 2 2 245.330 0.094 20 0 BCADLP c1cn(-c2cc(NC3C[NH2+]C3)ncn2)c[nH+]1 ZINC000634809505 344395458 /nfs/dbraw/zinc/39/54/58/344395458.db2.gz TWNGNAZMFMPJRZ-UHFFFAOYSA-N 2 2 216.248 0.046 20 0 BCADLP C[C@H]([NH3+])CNc1cc(-n2cc[nH+]c2)ncn1 ZINC000634809486 344395474 /nfs/dbraw/zinc/39/54/74/344395474.db2.gz SRKZKEKGNSGLKJ-QMMMGPOBSA-N 2 2 218.264 0.421 20 0 BCADLP COc1c(C)[nH+]cnc1N[C@H](C)[C@@H](C)[NH3+] ZINC000634810492 344395574 /nfs/dbraw/zinc/39/55/74/344395574.db2.gz YKFFXBDITUEILY-RNFRBKRXSA-N 2 2 210.281 0.941 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)[NH3+] ZINC000040921049 344410800 /nfs/dbraw/zinc/41/08/00/344410800.db2.gz UBLFPRHEUIEKLF-MRVPVSSYSA-N 2 2 210.281 0.125 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000037497943 344507540 /nfs/dbraw/zinc/50/75/40/344507540.db2.gz QYTYIEKXCDLEOG-VIFPVBQESA-N 2 2 222.292 0.131 20 0 BCADLP CCN(CC)C(=O)[C@H](C)[NH+]1CCC([NH2+]C)CC1 ZINC000037536926 344550622 /nfs/dbraw/zinc/55/06/22/344550622.db2.gz WOYUBQSVVNKOSH-NSHDSACASA-N 2 2 241.379 0.927 20 0 BCADLP C[C@@H](Nc1cc[nH+]cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000641449058 362423696 /nfs/dbraw/zinc/42/36/96/362423696.db2.gz IUGHVMFEPXPQJG-BXKDBHETSA-N 2 2 239.294 0.774 20 0 BCADLP C[C@@H](Nc1cc[nH+]cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000641449058 362423700 /nfs/dbraw/zinc/42/37/00/362423700.db2.gz IUGHVMFEPXPQJG-BXKDBHETSA-N 2 2 239.294 0.774 20 0 BCADLP C[C@H](Nc1cc[nH+]cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000641449060 362424450 /nfs/dbraw/zinc/42/44/50/362424450.db2.gz IUGHVMFEPXPQJG-JOYOIKCWSA-N 2 2 239.294 0.774 20 0 BCADLP C[C@H](Nc1cc[nH+]cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000641449060 362424453 /nfs/dbraw/zinc/42/44/53/362424453.db2.gz IUGHVMFEPXPQJG-JOYOIKCWSA-N 2 2 239.294 0.774 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000037822965 344592854 /nfs/dbraw/zinc/59/28/54/344592854.db2.gz BNBSGFNWDWWOLR-JTQLQIEISA-N 2 2 236.319 0.521 20 0 BCADLP O=C([C@@H]1CCC[NH2+]1)N1CC[NH+](C2CC2)CC1 ZINC000037826972 344593620 /nfs/dbraw/zinc/59/36/20/344593620.db2.gz AVYPSIJEAUFORR-NSHDSACASA-N 2 2 223.320 0.045 20 0 BCADLP Fc1c[nH+]ccc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000641488555 362456177 /nfs/dbraw/zinc/45/61/77/362456177.db2.gz IVNALBVLCZGRDH-JTQLQIEISA-N 2 2 237.278 0.742 20 0 BCADLP Fc1c[nH+]ccc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000641488555 362456181 /nfs/dbraw/zinc/45/61/81/362456181.db2.gz IVNALBVLCZGRDH-JTQLQIEISA-N 2 2 237.278 0.742 20 0 BCADLP C[N@@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1(C)C ZINC000493590633 530066186 /nfs/dbraw/zinc/06/61/86/530066186.db2.gz BZNJCUKKAOVWCU-PLNGDYQASA-N 2 2 248.330 0.976 20 0 BCADLP C[N@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1(C)C ZINC000493590633 530066187 /nfs/dbraw/zinc/06/61/87/530066187.db2.gz BZNJCUKKAOVWCU-PLNGDYQASA-N 2 2 248.330 0.976 20 0 BCADLP C[N@@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000492859196 530066260 /nfs/dbraw/zinc/06/62/60/530066260.db2.gz GEJXJLYRYQLGHW-PLNGDYQASA-N 2 2 248.330 0.976 20 0 BCADLP C[N@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000492859196 530066261 /nfs/dbraw/zinc/06/62/61/530066261.db2.gz GEJXJLYRYQLGHW-PLNGDYQASA-N 2 2 248.330 0.976 20 0 BCADLP CC[C@@H](COC)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000153327942 344852181 /nfs/dbraw/zinc/85/21/81/344852181.db2.gz BGIWGXHBNJKORW-STQMWFEESA-N 2 2 244.379 0.969 20 0 BCADLP C[C@]1(C(=O)NCCNc2cccc[nH+]2)CC[NH2+]C1 ZINC000574808096 345025637 /nfs/dbraw/zinc/02/56/37/345025637.db2.gz SDWQXELREFOZKT-ZDUSSCGKSA-N 2 2 248.330 0.609 20 0 BCADLP [NH3+]CC1(C[NH+]2CCC3(CC[NH2+]3)CC2)CC1 ZINC000634996590 345189631 /nfs/dbraw/zinc/18/96/31/345189631.db2.gz OOAVHULYXRFQCZ-UHFFFAOYSA-N 3 2 209.337 0.553 20 0 BCADLP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634991763 345178574 /nfs/dbraw/zinc/17/85/74/345178574.db2.gz QUOMVDIMYSYXDN-JJOYANBFSA-N 2 2 237.347 0.324 20 0 BCADLP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634991763 345178575 /nfs/dbraw/zinc/17/85/75/345178575.db2.gz QUOMVDIMYSYXDN-JJOYANBFSA-N 2 2 237.347 0.324 20 0 BCADLP C([N@@H+]1CCOCC2(CC2)C1)C12CC(C1)C[NH2+]2 ZINC000634994578 345181731 /nfs/dbraw/zinc/18/17/31/345181731.db2.gz HUBVJECUDMYXBU-UHFFFAOYSA-N 2 2 222.332 0.851 20 0 BCADLP C([N@H+]1CCOCC2(CC2)C1)C12CC(C1)C[NH2+]2 ZINC000634994578 345181733 /nfs/dbraw/zinc/18/17/33/345181733.db2.gz HUBVJECUDMYXBU-UHFFFAOYSA-N 2 2 222.332 0.851 20 0 BCADLP O=C1[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C[C@H]2CCCCN12 ZINC000634996821 345182621 /nfs/dbraw/zinc/18/26/21/345182621.db2.gz WCGAJJYAJANORN-BEVNXUHPSA-N 2 2 249.358 0.481 20 0 BCADLP NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634994795 345182928 /nfs/dbraw/zinc/18/29/28/345182928.db2.gz MVKFXSBPQBODMB-DQXWKOKRSA-N 2 2 249.358 0.324 20 0 BCADLP NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634994795 345182931 /nfs/dbraw/zinc/18/29/31/345182931.db2.gz MVKFXSBPQBODMB-DQXWKOKRSA-N 2 2 249.358 0.324 20 0 BCADLP Cn1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)nn1 ZINC000328647965 537889447 /nfs/dbraw/zinc/88/94/47/537889447.db2.gz IEWRYULBXZDOPT-LBPRGKRZSA-N 2 2 246.318 0.676 20 0 BCADLP Cn1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)nn1 ZINC000328647965 537889456 /nfs/dbraw/zinc/88/94/56/537889456.db2.gz IEWRYULBXZDOPT-LBPRGKRZSA-N 2 2 246.318 0.676 20 0 BCADLP OCC[C@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634996871 345184264 /nfs/dbraw/zinc/18/42/64/345184264.db2.gz XPCMNKKZNXNOJD-MOENNCHZSA-N 2 2 210.321 0.585 20 0 BCADLP OCC[C@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634996871 345184268 /nfs/dbraw/zinc/18/42/68/345184268.db2.gz XPCMNKKZNXNOJD-MOENNCHZSA-N 2 2 210.321 0.585 20 0 BCADLP COC[C@]1(C[NH2+]C[C@@H](C[NH3+])C(C)C)CCC[NH2+]1 ZINC000634995720 345185176 /nfs/dbraw/zinc/18/51/76/345185176.db2.gz NBTPBFNRNCDZEN-CHWSQXEVSA-N 3 2 243.395 0.576 20 0 BCADLP CC1([NH2+]CC23CC(C2)C[NH2+]3)CC[NH2+]CC1 ZINC000634995975 345186180 /nfs/dbraw/zinc/18/61/80/345186180.db2.gz VJLMHHIHWYLUDV-UHFFFAOYSA-N 3 2 209.337 0.470 20 0 BCADLP C[C@H]1C[NH2+]CC[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634995814 345186258 /nfs/dbraw/zinc/18/62/58/345186258.db2.gz PNJDBKHBOFUSHK-UZEXVOJHSA-N 3 2 209.337 0.326 20 0 BCADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634950126 345126710 /nfs/dbraw/zinc/12/67/10/345126710.db2.gz JUMIMETZXWQITQ-RYUDHWBXSA-N 2 2 239.363 0.729 20 0 BCADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634950126 345126712 /nfs/dbraw/zinc/12/67/12/345126712.db2.gz JUMIMETZXWQITQ-RYUDHWBXSA-N 2 2 239.363 0.729 20 0 BCADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634958473 345132405 /nfs/dbraw/zinc/13/24/05/345132405.db2.gz RBVWFLDBYXGVNB-NSHDSACASA-N 2 2 227.352 0.585 20 0 BCADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634958473 345132407 /nfs/dbraw/zinc/13/24/07/345132407.db2.gz RBVWFLDBYXGVNB-NSHDSACASA-N 2 2 227.352 0.585 20 0 BCADLP C[C@@H](C[NH2+][C@H]1CCNC(=O)CC1)[N@H+](C)C1CC1 ZINC000634959795 345133014 /nfs/dbraw/zinc/13/30/14/345133014.db2.gz BBWIBZCZTIWODA-WDEREUQCSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@@H](C[NH2+][C@H]1CCNC(=O)CC1)[N@@H+](C)C1CC1 ZINC000634959795 345133016 /nfs/dbraw/zinc/13/30/16/345133016.db2.gz BBWIBZCZTIWODA-WDEREUQCSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1n1cc[nH+]c1 ZINC000156408391 345158909 /nfs/dbraw/zinc/15/89/09/345158909.db2.gz WGUSFLQHBPFJFX-UWVGGRQHSA-N 2 2 222.292 0.251 20 0 BCADLP C[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1n1cc[nH+]c1 ZINC000156408391 345158911 /nfs/dbraw/zinc/15/89/11/345158911.db2.gz WGUSFLQHBPFJFX-UWVGGRQHSA-N 2 2 222.292 0.251 20 0 BCADLP C[NH+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635068826 345237278 /nfs/dbraw/zinc/23/72/78/345237278.db2.gz LMNFTWPGNNPNKN-RKDXNWHRSA-N 2 2 222.292 0.191 20 0 BCADLP C[NH+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635068826 345237280 /nfs/dbraw/zinc/23/72/80/345237280.db2.gz LMNFTWPGNNPNKN-RKDXNWHRSA-N 2 2 222.292 0.191 20 0 BCADLP CCn1ccnc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999634 345200537 /nfs/dbraw/zinc/20/05/37/345200537.db2.gz XDTJANJRDZSARJ-GHMZBOCLSA-N 2 2 222.336 0.930 20 0 BCADLP CCn1ccnc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999634 345200539 /nfs/dbraw/zinc/20/05/39/345200539.db2.gz XDTJANJRDZSARJ-GHMZBOCLSA-N 2 2 222.336 0.930 20 0 BCADLP CC(C)[C@H](C[NH3+])C[NH+]1CCC([NH2+]CCO)CC1 ZINC000635002289 345203829 /nfs/dbraw/zinc/20/38/29/345203829.db2.gz NHYQFASEKMVMMT-GFCCVEGCSA-N 3 2 243.395 0.264 20 0 BCADLP CC1(C)COCC[N@@H+]1CCn1cc[nH+]c1 ZINC000130752704 345282376 /nfs/dbraw/zinc/28/23/76/345282376.db2.gz BLFMIUVWVCDMNS-UHFFFAOYSA-N 2 2 209.293 0.994 20 0 BCADLP CC1(C)COCC[N@H+]1CCn1cc[nH+]c1 ZINC000130752704 345282380 /nfs/dbraw/zinc/28/23/80/345282380.db2.gz BLFMIUVWVCDMNS-UHFFFAOYSA-N 2 2 209.293 0.994 20 0 BCADLP CCc1c[nH]c(CC(=O)NC[C@H](C)[NH+](C)C)[nH+]1 ZINC000635254420 345287353 /nfs/dbraw/zinc/28/73/53/345287353.db2.gz DRZLNDJNTQLQJI-VIFPVBQESA-N 2 2 238.335 0.581 20 0 BCADLP C[NH+]1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000159591182 345444457 /nfs/dbraw/zinc/44/44/57/345444457.db2.gz DMHAAWNEWNIDRB-LBPRGKRZSA-N 2 2 225.336 0.293 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635538106 345505792 /nfs/dbraw/zinc/50/57/92/345505792.db2.gz NICRRCSYOSGZIQ-JTQLQIEISA-N 2 2 236.319 0.710 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635538106 345505793 /nfs/dbraw/zinc/50/57/93/345505793.db2.gz NICRRCSYOSGZIQ-JTQLQIEISA-N 2 2 236.319 0.710 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@@H](C)[NH+](C)C ZINC000635534543 345479418 /nfs/dbraw/zinc/47/94/18/345479418.db2.gz GQOYXQONNYNYJM-SECBINFHSA-N 2 2 207.277 0.701 20 0 BCADLP C[C@H]1C[NH+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000093177594 345658908 /nfs/dbraw/zinc/65/89/08/345658908.db2.gz CEFPGXTYGPNJIT-RYUDHWBXSA-N 2 2 239.363 0.348 20 0 BCADLP C[C@@H]1C[NH+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000093177596 345659069 /nfs/dbraw/zinc/65/90/69/345659069.db2.gz CEFPGXTYGPNJIT-VXGBXAGGSA-N 2 2 239.363 0.348 20 0 BCADLP CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000148438524 345719237 /nfs/dbraw/zinc/71/92/37/345719237.db2.gz LVPJBWMOIHGRTE-UHFFFAOYSA-N 2 2 213.325 0.149 20 0 BCADLP C[NH+](C)C1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000135049962 345761492 /nfs/dbraw/zinc/76/14/92/345761492.db2.gz YBBAWHYCNXCKJM-SNVBAGLBSA-N 2 2 248.330 0.218 20 0 BCADLP CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[NH2+]1 ZINC000635646674 345923504 /nfs/dbraw/zinc/92/35/04/345923504.db2.gz XKPCUDOSGXIHRU-NXEZZACHSA-N 2 2 248.330 0.724 20 0 BCADLP CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[NH2+]1 ZINC000635646674 345923505 /nfs/dbraw/zinc/92/35/05/345923505.db2.gz XKPCUDOSGXIHRU-NXEZZACHSA-N 2 2 248.330 0.724 20 0 BCADLP C[C@H](C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C)[NH+](C)C ZINC000635762774 346052411 /nfs/dbraw/zinc/05/24/11/346052411.db2.gz QPMSBYNXPYIDIV-GARJFASQSA-N 2 2 227.352 0.488 20 0 BCADLP C[C@H](C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C)[NH+](C)C ZINC000635762774 346052412 /nfs/dbraw/zinc/05/24/12/346052412.db2.gz QPMSBYNXPYIDIV-GARJFASQSA-N 2 2 227.352 0.488 20 0 BCADLP C[C@H](C(=O)N1CC[N@H+](C)CC1(C)C)[NH+](C)C ZINC000635752515 346049687 /nfs/dbraw/zinc/04/96/87/346049687.db2.gz LTFMYRVTMPWMIF-SNVBAGLBSA-N 2 2 227.352 0.489 20 0 BCADLP C[C@H](C(=O)N1CC[N@@H+](C)CC1(C)C)[NH+](C)C ZINC000635752515 346049689 /nfs/dbraw/zinc/04/96/89/346049689.db2.gz LTFMYRVTMPWMIF-SNVBAGLBSA-N 2 2 227.352 0.489 20 0 BCADLP CC[C@@H](NC(=O)[C@@H](C)[NH+](C)C)c1[nH]cc[nH+]1 ZINC000635808430 346073729 /nfs/dbraw/zinc/07/37/29/346073729.db2.gz UOQNTEYQJDAAFJ-RKDXNWHRSA-N 2 2 224.308 0.927 20 0 BCADLP C[NH2+]CCC1CC[NH+](Cc2nnn(C)n2)CC1 ZINC000234354994 323105417 /nfs/dbraw/zinc/10/54/17/323105417.db2.gz LMMVADJSHKTKIF-UHFFFAOYSA-N 2 2 238.339 0.032 20 0 BCADLP C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)c1[nH]cc[nH+]1 ZINC000635952210 346121871 /nfs/dbraw/zinc/12/18/71/346121871.db2.gz OLRKEJPAQSJRQH-HTQZYQBOSA-N 2 2 210.281 0.537 20 0 BCADLP C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1[nH]cc[nH+]1 ZINC000635952070 346121954 /nfs/dbraw/zinc/12/19/54/346121954.db2.gz MELIEULAMIGXCR-NXEZZACHSA-N 2 2 236.319 0.929 20 0 BCADLP C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)c1[nH]cc[nH+]1 ZINC000635952070 346121957 /nfs/dbraw/zinc/12/19/57/346121957.db2.gz MELIEULAMIGXCR-NXEZZACHSA-N 2 2 236.319 0.929 20 0 BCADLP C[NH+](C)CC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000635984993 346138142 /nfs/dbraw/zinc/13/81/42/346138142.db2.gz FECVSPHNGSHSJB-JTQLQIEISA-N 2 2 248.330 0.266 20 0 BCADLP CC[C@H]1C[N@H+](C[C@@](C)(O)C[NH2+]C)CCO1 ZINC000563271322 323107254 /nfs/dbraw/zinc/10/72/54/323107254.db2.gz PTTXJSFSSBWYQM-QWRGUYRKSA-N 2 2 216.325 0.068 20 0 BCADLP CC[C@H]1C[N@@H+](C[C@@](C)(O)C[NH2+]C)CCO1 ZINC000563271322 323107255 /nfs/dbraw/zinc/10/72/55/323107255.db2.gz PTTXJSFSSBWYQM-QWRGUYRKSA-N 2 2 216.325 0.068 20 0 BCADLP CCOC[C@@H](O)C[NH2+]CCCCn1cc[nH+]c1 ZINC000069278377 349944072 /nfs/dbraw/zinc/94/40/72/349944072.db2.gz CXRDJXLVSIRHNT-LBPRGKRZSA-N 2 2 241.335 0.650 20 0 BCADLP Nc1cnccc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000641749499 362670093 /nfs/dbraw/zinc/67/00/93/362670093.db2.gz UBPCBZIEZGKWKT-NSHDSACASA-N 2 2 243.314 0.965 20 0 BCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccncc1N ZINC000641743266 362670572 /nfs/dbraw/zinc/67/05/72/362670572.db2.gz RKGFMZMBRQXCKU-GFCCVEGCSA-N 2 2 238.335 0.066 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC(=O)N(C)C2)n1C ZINC000574928005 346416727 /nfs/dbraw/zinc/41/67/27/346416727.db2.gz FHZSCUZXJSDLQW-JTQLQIEISA-N 2 2 236.319 0.439 20 0 BCADLP C[C@]1(C[NH2+]CCn2cc[nH+]c2)CC[NH2+]C1 ZINC000575046242 346421212 /nfs/dbraw/zinc/42/12/12/346421212.db2.gz HVMMVKMQYJTEPV-NSHDSACASA-N 3 2 208.309 0.472 20 0 BCADLP CC[NH+](CC)CCC[N@H+](C)CC(=O)N(C)C ZINC000170793571 346451732 /nfs/dbraw/zinc/45/17/32/346451732.db2.gz WQJVFQUBGZAYPX-UHFFFAOYSA-N 2 2 229.368 0.738 20 0 BCADLP CC[NH+](CC)CCC[N@@H+](C)CC(=O)N(C)C ZINC000170793571 346451737 /nfs/dbraw/zinc/45/17/37/346451737.db2.gz WQJVFQUBGZAYPX-UHFFFAOYSA-N 2 2 229.368 0.738 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000641800112 362750673 /nfs/dbraw/zinc/75/06/73/362750673.db2.gz WMFGAHVWMAIBTF-GFCCVEGCSA-N 3 2 238.335 0.012 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000641800112 362750680 /nfs/dbraw/zinc/75/06/80/362750680.db2.gz WMFGAHVWMAIBTF-GFCCVEGCSA-N 3 2 238.335 0.012 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000641798784 362746083 /nfs/dbraw/zinc/74/60/83/362746083.db2.gz IFAFKIXQWMYOOP-WZRBSPASSA-N 3 2 236.363 0.939 20 0 BCADLP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)on1 ZINC000641796953 362739889 /nfs/dbraw/zinc/73/98/89/362739889.db2.gz NKBKTWRHXWJEML-WPRPVWTQSA-N 2 2 225.292 0.852 20 0 BCADLP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)on1 ZINC000641796953 362739893 /nfs/dbraw/zinc/73/98/93/362739893.db2.gz NKBKTWRHXWJEML-WPRPVWTQSA-N 2 2 225.292 0.852 20 0 BCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCc1c[nH+]cn1C ZINC000641798161 362741610 /nfs/dbraw/zinc/74/16/10/362741610.db2.gz LWOKWSJFLIHHSB-GHMZBOCLSA-N 3 2 222.336 0.632 20 0 BCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCc1c[nH+]cn1C ZINC000641798161 362741611 /nfs/dbraw/zinc/74/16/11/362741611.db2.gz LWOKWSJFLIHHSB-GHMZBOCLSA-N 3 2 222.336 0.632 20 0 BCADLP Cn1nc(C2CC2)nc1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641801778 362756500 /nfs/dbraw/zinc/75/65/00/362756500.db2.gz VKUJUFPMLGKJJI-NXEZZACHSA-N 2 2 249.362 0.908 20 0 BCADLP CCn1ncnc1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641802061 362757514 /nfs/dbraw/zinc/75/75/14/362757514.db2.gz HJXPDQRDGGOOPQ-BDAKNGLRSA-N 2 2 223.324 0.513 20 0 BCADLP COc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)on1 ZINC000641802145 362758099 /nfs/dbraw/zinc/75/80/99/362758099.db2.gz YDVXAGIGINCSNE-DTWKUNHWSA-N 2 2 225.292 0.899 20 0 BCADLP CC[N@@H+]1CCCN(CCn2cc[nH+]c2)CC1 ZINC000161889400 346501851 /nfs/dbraw/zinc/50/18/51/346501851.db2.gz YXTMXZSMZYRSDR-UHFFFAOYSA-N 2 2 222.336 0.911 20 0 BCADLP CC[N@H+]1CCCN(CCn2cc[nH+]c2)CC1 ZINC000161889400 346501854 /nfs/dbraw/zinc/50/18/54/346501854.db2.gz YXTMXZSMZYRSDR-UHFFFAOYSA-N 2 2 222.336 0.911 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1c[nH+]cn1C ZINC000641818001 362768853 /nfs/dbraw/zinc/76/88/53/362768853.db2.gz BMONLBGMFNDHLT-GHMZBOCLSA-N 3 2 222.336 0.774 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCc1c[nH+]cn1C ZINC000641818001 362768860 /nfs/dbraw/zinc/76/88/60/362768860.db2.gz BMONLBGMFNDHLT-GHMZBOCLSA-N 3 2 222.336 0.774 20 0 BCADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@H]1C[NH3+] ZINC000641817959 362769533 /nfs/dbraw/zinc/76/95/33/362769533.db2.gz AHFBRXJLIYJBEQ-GHMZBOCLSA-N 3 2 222.336 0.489 20 0 BCADLP C[NH2+]CCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000580191220 346645422 /nfs/dbraw/zinc/64/54/22/346645422.db2.gz RVOYYKBMQBQQHU-UHFFFAOYSA-N 2 2 224.308 0.341 20 0 BCADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@H]1C[NH3+] ZINC000641817959 362769527 /nfs/dbraw/zinc/76/95/27/362769527.db2.gz AHFBRXJLIYJBEQ-GHMZBOCLSA-N 3 2 222.336 0.489 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000380205418 346806776 /nfs/dbraw/zinc/80/67/76/346806776.db2.gz FNNNTUMUBWHRCS-IUCAKERBSA-N 2 2 222.292 0.462 20 0 BCADLP CCCC[C@H]([NH3+])C(=O)NCc1[nH]c[nH+]c1C ZINC000380212827 347142939 /nfs/dbraw/zinc/14/29/39/347142939.db2.gz IJVKWRNEYRZQAM-VIFPVBQESA-N 2 2 224.308 0.852 20 0 BCADLP COc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)on1 ZINC000641821625 362772201 /nfs/dbraw/zinc/77/22/01/362772201.db2.gz MTZGEYZLSQRKCT-IUCAKERBSA-N 2 2 225.292 0.995 20 0 BCADLP COc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)on1 ZINC000641821625 362772208 /nfs/dbraw/zinc/77/22/08/362772208.db2.gz MTZGEYZLSQRKCT-IUCAKERBSA-N 2 2 225.292 0.995 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000641824587 362774425 /nfs/dbraw/zinc/77/44/25/362774425.db2.gz UQJVPPSMWFPUAM-YPMHNXCESA-N 3 2 234.347 0.776 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000641824587 362774427 /nfs/dbraw/zinc/77/44/27/362774427.db2.gz UQJVPPSMWFPUAM-YPMHNXCESA-N 3 2 234.347 0.776 20 0 BCADLP COC(=O)CC1(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000601328830 347217580 /nfs/dbraw/zinc/21/75/80/347217580.db2.gz AIDZXUKTABLRMA-ZJUUUORDSA-N 2 2 226.320 0.751 20 0 BCADLP COC(=O)CC1(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000601328830 347217585 /nfs/dbraw/zinc/21/75/85/347217585.db2.gz AIDZXUKTABLRMA-ZJUUUORDSA-N 2 2 226.320 0.751 20 0 BCADLP COC(=O)CC1(C[N@@H+]2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000601328829 347217988 /nfs/dbraw/zinc/21/79/88/347217988.db2.gz AIDZXUKTABLRMA-VHSXEESVSA-N 2 2 226.320 0.751 20 0 BCADLP COC(=O)CC1(C[N@H+]2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000601328829 347217990 /nfs/dbraw/zinc/21/79/90/347217990.db2.gz AIDZXUKTABLRMA-VHSXEESVSA-N 2 2 226.320 0.751 20 0 BCADLP COC[C@@H](C)C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000188016253 347271010 /nfs/dbraw/zinc/27/10/10/347271010.db2.gz BRMLQJCJIKTVHP-STQMWFEESA-N 2 2 244.379 0.827 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000082304301 347345788 /nfs/dbraw/zinc/34/57/88/347345788.db2.gz PGVLPVJYMWEKQD-LLVKDONJSA-N 2 2 225.336 0.245 20 0 BCADLP CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000082304301 347345790 /nfs/dbraw/zinc/34/57/90/347345790.db2.gz PGVLPVJYMWEKQD-LLVKDONJSA-N 2 2 225.336 0.245 20 0 BCADLP Cc1[nH]c(C(=O)NC2CC[NH2+]CC2)c[nH+]1 ZINC000082268149 347321372 /nfs/dbraw/zinc/32/13/72/347321372.db2.gz IQSLYKIGHRYDRJ-UHFFFAOYSA-N 2 2 208.265 0.200 20 0 BCADLP O=C1CC[C@@H]([NH2+]CC[NH+]2CCCC2)CCN1 ZINC000396637078 362826313 /nfs/dbraw/zinc/82/63/13/362826313.db2.gz FVPGYZAPIVZUAZ-LLVKDONJSA-N 2 2 225.336 0.341 20 0 BCADLP CCN(CC)C(=O)C[N@H+](C)CCC[NH3+] ZINC000019834694 347360482 /nfs/dbraw/zinc/36/04/82/347360482.db2.gz YNGTXRHJNVKLLI-UHFFFAOYSA-N 2 2 201.314 0.135 20 0 BCADLP CCN(CC)C(=O)C[N@@H+](C)CCC[NH3+] ZINC000019834694 347360485 /nfs/dbraw/zinc/36/04/85/347360485.db2.gz YNGTXRHJNVKLLI-UHFFFAOYSA-N 2 2 201.314 0.135 20 0 BCADLP COC(=O)[C@H](C1CC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000390469990 347361401 /nfs/dbraw/zinc/36/14/01/347361401.db2.gz IYMAOHMTHQRIFX-AXFHLTTASA-N 2 2 224.304 0.089 20 0 BCADLP COC(=O)[C@H](C1CC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000390469990 347361403 /nfs/dbraw/zinc/36/14/03/347361403.db2.gz IYMAOHMTHQRIFX-AXFHLTTASA-N 2 2 224.304 0.089 20 0 BCADLP Cc1cnccc1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000311192409 347373785 /nfs/dbraw/zinc/37/37/85/347373785.db2.gz DZHSTHBSHWWVQL-AWEZNQCLSA-N 2 2 249.358 0.935 20 0 BCADLP Cc1cnccc1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000311192409 347373787 /nfs/dbraw/zinc/37/37/87/347373787.db2.gz DZHSTHBSHWWVQL-AWEZNQCLSA-N 2 2 249.358 0.935 20 0 BCADLP CC(C)[C@@H]1C[NH2+]CCN1Cc1c[nH+]cn1C ZINC000388461591 347417297 /nfs/dbraw/zinc/41/72/97/347417297.db2.gz ZHQUWUDDCIJGEY-LBPRGKRZSA-N 2 2 222.336 0.850 20 0 BCADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(N)=O ZINC000120611475 347394690 /nfs/dbraw/zinc/39/46/90/347394690.db2.gz GPBZREPSTXCNNS-UWVGGRQHSA-N 2 2 213.325 0.324 20 0 BCADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(N)=O ZINC000120611475 347394693 /nfs/dbraw/zinc/39/46/93/347394693.db2.gz GPBZREPSTXCNNS-UWVGGRQHSA-N 2 2 213.325 0.324 20 0 BCADLP C[C@@H](C(=O)N(C)Cc1c[nH+]c[nH]1)[NH+](C)C ZINC000616925383 347455592 /nfs/dbraw/zinc/45/55/92/347455592.db2.gz FXKOZXHEOLWISU-QMMMGPOBSA-N 2 2 210.281 0.318 20 0 BCADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000396753677 362832619 /nfs/dbraw/zinc/83/26/19/362832619.db2.gz YGVVIFDEGWYCJB-QWRGUYRKSA-N 2 2 225.336 0.339 20 0 BCADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000396753677 362832626 /nfs/dbraw/zinc/83/26/26/362832626.db2.gz YGVVIFDEGWYCJB-QWRGUYRKSA-N 2 2 225.336 0.339 20 0 BCADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000396743380 362832769 /nfs/dbraw/zinc/83/27/69/362832769.db2.gz VBLMYDDKCOLCSV-VXGBXAGGSA-N 2 2 239.363 0.729 20 0 BCADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000396743380 362832771 /nfs/dbraw/zinc/83/27/71/362832771.db2.gz VBLMYDDKCOLCSV-VXGBXAGGSA-N 2 2 239.363 0.729 20 0 BCADLP C[C@H]1CC[N@H+](CC(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000616928690 347495007 /nfs/dbraw/zinc/49/50/07/347495007.db2.gz JCYAYYUFBNPJIR-JTQLQIEISA-N 2 2 236.319 0.710 20 0 BCADLP C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000616928690 347495010 /nfs/dbraw/zinc/49/50/10/347495010.db2.gz JCYAYYUFBNPJIR-JTQLQIEISA-N 2 2 236.319 0.710 20 0 BCADLP C[C@@H]1[C@H](C)N(C(=O)/C=C/c2[nH]cc[nH+]2)CC[N@H+]1C ZINC000493124468 347567286 /nfs/dbraw/zinc/56/72/86/347567286.db2.gz WJICBLOUDYMEBQ-ZJRFNNFUSA-N 2 2 248.330 0.974 20 0 BCADLP C[C@@H]1[C@H](C)N(C(=O)/C=C/c2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000493124468 347567290 /nfs/dbraw/zinc/56/72/90/347567290.db2.gz WJICBLOUDYMEBQ-ZJRFNNFUSA-N 2 2 248.330 0.974 20 0 BCADLP CC[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000334345607 347590804 /nfs/dbraw/zinc/59/08/04/347590804.db2.gz UZJVEHYYNISJRQ-GFCCVEGCSA-N 2 2 239.363 0.635 20 0 BCADLP CSC[C@@H](O)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000591733629 347694265 /nfs/dbraw/zinc/69/42/65/347694265.db2.gz CAPAKFUQWGMKBM-ZJUUUORDSA-N 2 2 218.366 0.394 20 0 BCADLP CSC[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000591733629 347694267 /nfs/dbraw/zinc/69/42/67/347694267.db2.gz CAPAKFUQWGMKBM-ZJUUUORDSA-N 2 2 218.366 0.394 20 0 BCADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1CCC1 ZINC000591867345 347707427 /nfs/dbraw/zinc/70/74/27/347707427.db2.gz PBBXPNQNADZLGX-LBPRGKRZSA-N 2 2 248.330 0.752 20 0 BCADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1CCC1 ZINC000591867345 347707428 /nfs/dbraw/zinc/70/74/28/347707428.db2.gz PBBXPNQNADZLGX-LBPRGKRZSA-N 2 2 248.330 0.752 20 0 BCADLP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000401759864 347761593 /nfs/dbraw/zinc/76/15/93/347761593.db2.gz ULEHBOVGYBHGNY-QWRGUYRKSA-N 3 2 222.336 0.822 20 0 BCADLP CCOC(=O)[C@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000592485195 347786612 /nfs/dbraw/zinc/78/66/12/347786612.db2.gz QWZRLWQHHWDFIC-VIFPVBQESA-N 2 2 214.309 0.751 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593098236 347855286 /nfs/dbraw/zinc/85/52/86/347855286.db2.gz AGJKJTVRFIWVDY-XMZIXOGTSA-N 2 2 239.344 0.168 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593098236 347855287 /nfs/dbraw/zinc/85/52/87/347855287.db2.gz AGJKJTVRFIWVDY-XMZIXOGTSA-N 2 2 239.344 0.168 20 0 BCADLP CS[C@H](C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593905571 347968761 /nfs/dbraw/zinc/96/87/61/347968761.db2.gz WDKWTSLNDFNKKF-RKDXNWHRSA-N 2 2 233.381 0.133 20 0 BCADLP Cc1cccn2cc(CNC(=O)[C@@H](C)[NH3+])[nH+]c12 ZINC000083909176 179356346 /nfs/dbraw/zinc/35/63/46/179356346.db2.gz WSEMBLHCQQKLMJ-SECBINFHSA-N 2 2 232.287 0.606 20 0 BCADLP Cc1cccn2cc(CNC(=O)C3([NH3+])CC3)[nH+]c12 ZINC000168491938 179356474 /nfs/dbraw/zinc/35/64/74/179356474.db2.gz VDHIPYTVUGDBMO-UHFFFAOYSA-N 2 2 244.298 0.750 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000594952909 348147946 /nfs/dbraw/zinc/14/79/46/348147946.db2.gz FCDZGZYALQHWPS-LNFKQOIKSA-N 2 2 228.336 0.724 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCC1([NH3+])CCC1 ZINC000563821417 323179359 /nfs/dbraw/zinc/17/93/59/323179359.db2.gz IRBAMXGCGBMUNS-UHFFFAOYSA-N 2 2 237.307 0.433 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCC1([NH3+])CCC1 ZINC000563821417 323179360 /nfs/dbraw/zinc/17/93/60/323179360.db2.gz IRBAMXGCGBMUNS-UHFFFAOYSA-N 2 2 237.307 0.433 20 0 BCADLP CC[NH+]1CCC([NH2+]CC(=O)NC(C)C)CC1 ZINC000035136053 358454246 /nfs/dbraw/zinc/45/42/46/358454246.db2.gz HZJLHNBSRINZCT-UHFFFAOYSA-N 2 2 227.352 0.585 20 0 BCADLP COC(=O)[C@](C)(CCF)[NH2+]CCn1cc[nH+]c1 ZINC000595774315 348338100 /nfs/dbraw/zinc/33/81/00/348338100.db2.gz HLARXJXOWCUUEM-NSHDSACASA-N 2 2 243.282 0.764 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@H+](C[C@H]2CC[C@@H](C)O2)CCO1 ZINC000251740411 362903819 /nfs/dbraw/zinc/90/38/19/362903819.db2.gz JHLAFOLPQOEGKA-WRWGMCAJSA-N 2 2 228.336 0.602 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@@H+](C[C@H]2CC[C@@H](C)O2)CCO1 ZINC000251740411 362903825 /nfs/dbraw/zinc/90/38/25/362903825.db2.gz JHLAFOLPQOEGKA-WRWGMCAJSA-N 2 2 228.336 0.602 20 0 BCADLP CCOC(=O)C12CC(C1)C[N@@H+]2C[C@H]1CC[NH2+]C1 ZINC000595905961 348397398 /nfs/dbraw/zinc/39/73/98/348397398.db2.gz YVIYOFJQYNAGKN-ZBOXLXRLSA-N 2 2 238.331 0.623 20 0 BCADLP CCOC(=O)C12CC(C1)C[N@H+]2C[C@H]1CC[NH2+]C1 ZINC000595905961 348397402 /nfs/dbraw/zinc/39/74/02/348397402.db2.gz YVIYOFJQYNAGKN-ZBOXLXRLSA-N 2 2 238.331 0.623 20 0 BCADLP C[N@H+](CC1CCOCC1)C[C@H]1C[NH2+]CCO1 ZINC000070650517 490230428 /nfs/dbraw/zinc/23/04/28/490230428.db2.gz FTNZTKJHSXQLIM-GFCCVEGCSA-N 2 2 228.336 0.333 20 0 BCADLP C[N@@H+](CC1CCOCC1)C[C@H]1C[NH2+]CCO1 ZINC000070650517 490230442 /nfs/dbraw/zinc/23/04/42/490230442.db2.gz FTNZTKJHSXQLIM-GFCCVEGCSA-N 2 2 228.336 0.333 20 0 BCADLP CC(C)[C@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000251280033 349184430 /nfs/dbraw/zinc/18/44/30/349184430.db2.gz DFDMLUCTDCTVKX-WDEREUQCSA-N 2 2 227.352 0.380 20 0 BCADLP CC(C)[C@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000251280033 349184434 /nfs/dbraw/zinc/18/44/34/349184434.db2.gz DFDMLUCTDCTVKX-WDEREUQCSA-N 2 2 227.352 0.380 20 0 BCADLP CCC[C@@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000251391196 349186845 /nfs/dbraw/zinc/18/68/45/349186845.db2.gz YBHFVENNOITXJS-GHMZBOCLSA-N 2 2 227.352 0.524 20 0 BCADLP CCC[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000251391196 349186847 /nfs/dbraw/zinc/18/68/47/349186847.db2.gz YBHFVENNOITXJS-GHMZBOCLSA-N 2 2 227.352 0.524 20 0 BCADLP CCn1ncnc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000250458204 349171071 /nfs/dbraw/zinc/17/10/71/349171071.db2.gz TYAZZRAIWIRBIY-ZJUUUORDSA-N 2 2 223.324 0.467 20 0 BCADLP CCn1ncnc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000250458204 349171073 /nfs/dbraw/zinc/17/10/73/349171073.db2.gz TYAZZRAIWIRBIY-ZJUUUORDSA-N 2 2 223.324 0.467 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000386115274 362942078 /nfs/dbraw/zinc/94/20/78/362942078.db2.gz BJDBGNWECZNBAW-VIFPVBQESA-N 2 2 222.292 0.320 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000386115274 362942081 /nfs/dbraw/zinc/94/20/81/362942081.db2.gz BJDBGNWECZNBAW-VIFPVBQESA-N 2 2 222.292 0.320 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000309005880 349288011 /nfs/dbraw/zinc/28/80/11/349288011.db2.gz NBLALNCXZVEGQL-GUBZILKMSA-N 2 2 212.293 0.089 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000309005880 349288013 /nfs/dbraw/zinc/28/80/13/349288013.db2.gz NBLALNCXZVEGQL-GUBZILKMSA-N 2 2 212.293 0.089 20 0 BCADLP C[NH+](C)C1(C[NH2+][C@H]2CCCNC(=O)C2)CC1 ZINC000397914192 362946603 /nfs/dbraw/zinc/94/66/03/362946603.db2.gz CROKKXLKNJEKPB-JTQLQIEISA-N 2 2 225.336 0.339 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCOCCO)C[N@@H+]1C1CC1 ZINC000132199873 191028049 /nfs/dbraw/zinc/02/80/49/191028049.db2.gz DZWZHIZCXHNKTC-MNOVXSKESA-N 2 2 228.336 0.210 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCOCCO)C[N@H+]1C1CC1 ZINC000132199873 191028052 /nfs/dbraw/zinc/02/80/52/191028052.db2.gz DZWZHIZCXHNKTC-MNOVXSKESA-N 2 2 228.336 0.210 20 0 BCADLP Cc1[nH+]c2n(c1C)CCN(C(=O)C1C[NH2+]C1)C2 ZINC000367810339 180109260 /nfs/dbraw/zinc/10/92/60/180109260.db2.gz OWHYYDWGRSRQLV-UHFFFAOYSA-N 2 2 234.303 0.062 20 0 BCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H](C)[NH3+] ZINC000040828696 180103402 /nfs/dbraw/zinc/10/34/02/180103402.db2.gz BQXXOLKOCCLYNI-VIFPVBQESA-N 2 2 246.314 0.808 20 0 BCADLP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345791763 133792849 /nfs/dbraw/zinc/79/28/49/133792849.db2.gz XAEFCKFULOHSBC-DTWKUNHWSA-N 2 2 249.305 0.440 20 0 BCADLP CN1CC[C@H]([N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000604759001 350184003 /nfs/dbraw/zinc/18/40/03/350184003.db2.gz MTPILMBSVZHDEB-NEPJUHHUSA-N 2 2 248.330 0.751 20 0 BCADLP CN1CC[C@H]([N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000604759001 350184005 /nfs/dbraw/zinc/18/40/05/350184005.db2.gz MTPILMBSVZHDEB-NEPJUHHUSA-N 2 2 248.330 0.751 20 0 BCADLP Cc1nc(NC[C@](C)(O)C[NH+](C)C)cc[nH+]1 ZINC000133069005 180200148 /nfs/dbraw/zinc/20/01/48/180200148.db2.gz OSQROUSXRCAWED-NSHDSACASA-N 2 2 224.308 0.510 20 0 BCADLP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261541260 535115738 /nfs/dbraw/zinc/11/57/38/535115738.db2.gz BAQJLNJJFCQMGR-TUAOUCFPSA-N 2 2 239.363 0.585 20 0 BCADLP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261541260 535115742 /nfs/dbraw/zinc/11/57/42/535115742.db2.gz BAQJLNJJFCQMGR-TUAOUCFPSA-N 2 2 239.363 0.585 20 0 BCADLP Cc1nn(C)cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000125939284 191081480 /nfs/dbraw/zinc/08/14/80/191081480.db2.gz VHMVGIMGVFIFNY-UHFFFAOYSA-N 2 2 222.336 0.912 20 0 BCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000336305751 180230087 /nfs/dbraw/zinc/23/00/87/180230087.db2.gz ACFRZNVCVQLXKY-JTQLQIEISA-N 2 2 236.319 0.354 20 0 BCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000336305751 180230089 /nfs/dbraw/zinc/23/00/89/180230089.db2.gz ACFRZNVCVQLXKY-JTQLQIEISA-N 2 2 236.319 0.354 20 0 BCADLP Cc1[nH+]ccn1CCC[NH2+][C@@]1(C)CCOC1=O ZINC000289570601 180246373 /nfs/dbraw/zinc/24/63/73/180246373.db2.gz OJAORGYEBPUQLT-LBPRGKRZSA-N 2 2 237.303 0.877 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)[C@H](CO)C1 ZINC000362071609 180253725 /nfs/dbraw/zinc/25/37/25/180253725.db2.gz JCYUBAYKCMUMBJ-JQWIXIFHSA-N 2 2 223.320 0.752 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)[C@H](CO)C1 ZINC000362071609 180253728 /nfs/dbraw/zinc/25/37/28/180253728.db2.gz JCYUBAYKCMUMBJ-JQWIXIFHSA-N 2 2 223.320 0.752 20 0 BCADLP C[C@@H](O)CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000309085062 323315309 /nfs/dbraw/zinc/31/53/09/323315309.db2.gz WGQLKCYCVQGEFT-UMNHJUIQSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H](O)CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000309085062 323315312 /nfs/dbraw/zinc/31/53/12/323315312.db2.gz WGQLKCYCVQGEFT-UMNHJUIQSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H](O)CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000309085061 323315453 /nfs/dbraw/zinc/31/54/53/323315453.db2.gz WGQLKCYCVQGEFT-HOSYDEDBSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H](O)CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000309085061 323315455 /nfs/dbraw/zinc/31/54/55/323315455.db2.gz WGQLKCYCVQGEFT-HOSYDEDBSA-N 2 2 212.337 0.830 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368326488 180255523 /nfs/dbraw/zinc/25/55/23/180255523.db2.gz AAKCGKLAWKZJIL-WDEREUQCSA-N 2 2 207.277 0.665 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368326488 180255524 /nfs/dbraw/zinc/25/55/24/180255524.db2.gz AAKCGKLAWKZJIL-WDEREUQCSA-N 2 2 207.277 0.665 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000166104189 180256512 /nfs/dbraw/zinc/25/65/12/180256512.db2.gz XIMMDOKLZQASOD-PWSUYJOCSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000166104189 180256516 /nfs/dbraw/zinc/25/65/16/180256516.db2.gz XIMMDOKLZQASOD-PWSUYJOCSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@H](CO)C1 ZINC000270571075 180241558 /nfs/dbraw/zinc/24/15/58/180241558.db2.gz ASCDSVTTYFOULG-LBPRGKRZSA-N 2 2 239.319 0.275 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@H](CO)C1 ZINC000270571075 180241561 /nfs/dbraw/zinc/24/15/61/180241561.db2.gz ASCDSVTTYFOULG-LBPRGKRZSA-N 2 2 239.319 0.275 20 0 BCADLP Cc1nccnc1CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000339529679 180275358 /nfs/dbraw/zinc/27/53/58/180275358.db2.gz RTMAWNNZRJDZMO-MFKMUULPSA-N 2 2 234.347 0.867 20 0 BCADLP Cc1nccnc1CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000339529679 180275359 /nfs/dbraw/zinc/27/53/59/180275359.db2.gz RTMAWNNZRJDZMO-MFKMUULPSA-N 2 2 234.347 0.867 20 0 BCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCC([NH3+])CC1 ZINC000026513965 350277826 /nfs/dbraw/zinc/27/78/26/350277826.db2.gz UEZILGMQGUCPLG-QMMMGPOBSA-N 2 2 211.309 0.077 20 0 BCADLP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000068940224 350314080 /nfs/dbraw/zinc/31/40/80/350314080.db2.gz NIPQBSMCZWVERW-QWRGUYRKSA-N 2 2 248.392 0.493 20 0 BCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000606370326 350318935 /nfs/dbraw/zinc/31/89/35/350318935.db2.gz RZOMHIRSUJFFKU-SECBINFHSA-N 2 2 222.292 0.510 20 0 BCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000606370326 350318939 /nfs/dbraw/zinc/31/89/39/350318939.db2.gz RZOMHIRSUJFFKU-SECBINFHSA-N 2 2 222.292 0.510 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000126249079 490486931 /nfs/dbraw/zinc/48/69/31/490486931.db2.gz NCZXKVWWCFZZDW-TUAOUCFPSA-N 2 2 210.321 0.707 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000126249079 490486937 /nfs/dbraw/zinc/48/69/37/490486937.db2.gz NCZXKVWWCFZZDW-TUAOUCFPSA-N 2 2 210.321 0.707 20 0 BCADLP Cc1ncsc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000125894304 180322895 /nfs/dbraw/zinc/32/28/95/180322895.db2.gz MVXRPBDOPFBDRY-NSHDSACASA-N 2 2 243.376 0.854 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000069891084 350439524 /nfs/dbraw/zinc/43/95/24/350439524.db2.gz NWNHKKFVDWBXAP-NEPJUHHUSA-N 2 2 230.352 0.722 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000069891084 350439529 /nfs/dbraw/zinc/43/95/29/350439529.db2.gz NWNHKKFVDWBXAP-NEPJUHHUSA-N 2 2 230.352 0.722 20 0 BCADLP CC[NH+]1CCC([N@H+](C)CCn2cncn2)CC1 ZINC000336707916 350460083 /nfs/dbraw/zinc/46/00/83/350460083.db2.gz OVJSLLAAZYXSQJ-UHFFFAOYSA-N 2 2 237.351 0.694 20 0 BCADLP CC[NH+]1CCC([N@@H+](C)CCn2cncn2)CC1 ZINC000336707916 350460086 /nfs/dbraw/zinc/46/00/86/350460086.db2.gz OVJSLLAAZYXSQJ-UHFFFAOYSA-N 2 2 237.351 0.694 20 0 BCADLP FC(F)(F)c1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[nH]n1 ZINC000577470975 365962526 /nfs/dbraw/zinc/96/25/26/365962526.db2.gz UUHWGLAFEIZVAW-QMSLJYSESA-N 2 2 246.236 0.736 20 0 BCADLP CNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000177057106 365961052 /nfs/dbraw/zinc/96/10/52/365961052.db2.gz ULKCHYWIWOAADY-ZJUUUORDSA-N 2 2 213.325 0.147 20 0 BCADLP CNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000177057106 365961057 /nfs/dbraw/zinc/96/10/57/365961057.db2.gz ULKCHYWIWOAADY-ZJUUUORDSA-N 2 2 213.325 0.147 20 0 BCADLP CNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177057106 365961060 /nfs/dbraw/zinc/96/10/60/365961060.db2.gz ULKCHYWIWOAADY-ZJUUUORDSA-N 2 2 213.325 0.147 20 0 BCADLP CNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177057106 365961063 /nfs/dbraw/zinc/96/10/63/365961063.db2.gz ULKCHYWIWOAADY-ZJUUUORDSA-N 2 2 213.325 0.147 20 0 BCADLP CCn1nccc1C[N@H+](C)C1CC([NH3+])C1 ZINC000384746529 350505404 /nfs/dbraw/zinc/50/54/04/350505404.db2.gz NCUAUPXUINSTFG-UHFFFAOYSA-N 2 2 208.309 0.825 20 0 BCADLP CCn1nccc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000384746529 350505408 /nfs/dbraw/zinc/50/54/08/350505408.db2.gz NCUAUPXUINSTFG-UHFFFAOYSA-N 2 2 208.309 0.825 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000070583823 350543575 /nfs/dbraw/zinc/54/35/75/350543575.db2.gz PEULEHKYDSBXMI-WDEREUQCSA-N 2 2 225.336 0.149 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000070583823 350543579 /nfs/dbraw/zinc/54/35/79/350543579.db2.gz PEULEHKYDSBXMI-WDEREUQCSA-N 2 2 225.336 0.149 20 0 BCADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCOCCO)C1 ZINC000606897445 350622817 /nfs/dbraw/zinc/62/28/17/350622817.db2.gz IFFWGXJSOHZWKI-GFCCVEGCSA-N 2 2 230.352 0.458 20 0 BCADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCOCCO)C1 ZINC000606897445 350622820 /nfs/dbraw/zinc/62/28/20/350622820.db2.gz IFFWGXJSOHZWKI-GFCCVEGCSA-N 2 2 230.352 0.458 20 0 BCADLP Cn1c[nH+]cc1CSC[C@H]1C[N@H+](C)CCO1 ZINC000570964192 350668049 /nfs/dbraw/zinc/66/80/49/350668049.db2.gz HIKHIIBWPXZDPH-LLVKDONJSA-N 2 2 241.360 0.984 20 0 BCADLP Cn1c[nH+]cc1CSC[C@H]1C[N@@H+](C)CCO1 ZINC000570964192 350668050 /nfs/dbraw/zinc/66/80/50/350668050.db2.gz HIKHIIBWPXZDPH-LLVKDONJSA-N 2 2 241.360 0.984 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079518166 351070285 /nfs/dbraw/zinc/07/02/85/351070285.db2.gz FJTPTFVBPWDOFU-GFCCVEGCSA-N 2 2 236.319 0.521 20 0 BCADLP C[C@@H]([NH3+])C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000571921288 323502862 /nfs/dbraw/zinc/50/28/62/323502862.db2.gz KGWMLMYLZUYZKV-JLLWLGSASA-N 3 2 227.352 0.162 20 0 BCADLP CCc1c[nH]c(CC(=O)N2CC[C@H]([NH2+]C)C2)[nH+]1 ZINC000637802465 351636336 /nfs/dbraw/zinc/63/63/36/351636336.db2.gz RMZDJGQKXPKRCG-JTQLQIEISA-N 2 2 236.319 0.335 20 0 BCADLP CCc1c[nH]c(CC(=O)N2CC[C@@H]([NH3+])C2)[nH+]1 ZINC000637802848 351638118 /nfs/dbraw/zinc/63/81/18/351638118.db2.gz VLAKOJZOPIEKBT-MRVPVSSYSA-N 2 2 222.292 0.074 20 0 BCADLP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000637817233 351661552 /nfs/dbraw/zinc/66/15/52/351661552.db2.gz QGGADCQMXRHILA-OPRDCNLKSA-N 2 2 234.303 0.334 20 0 BCADLP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000637817233 351661553 /nfs/dbraw/zinc/66/15/53/351661553.db2.gz QGGADCQMXRHILA-OPRDCNLKSA-N 2 2 234.303 0.334 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[NH2+]CC1 ZINC000637804195 351641242 /nfs/dbraw/zinc/64/12/42/351641242.db2.gz VQQYEBYVHBLIEQ-UHFFFAOYSA-N 2 2 222.292 0.083 20 0 BCADLP CC(C)C[C@@H](C(=O)NCC[NH3+])n1cc[nH+]c1 ZINC000637797474 351624654 /nfs/dbraw/zinc/62/46/54/351624654.db2.gz OHXOMEONCPCCNQ-JTQLQIEISA-N 2 2 224.308 0.545 20 0 BCADLP CCCC[C@@H](C[NH3+])NC(=O)Cc1[nH]c[nH+]c1C ZINC000637867603 351731494 /nfs/dbraw/zinc/73/14/94/351731494.db2.gz VVHKXDLZDBBVJD-JTQLQIEISA-N 2 2 238.335 0.894 20 0 BCADLP CCCC[C@@H](C[NH3+])NC(=O)Cc1[nH+]c[nH]c1C ZINC000637867603 351731496 /nfs/dbraw/zinc/73/14/96/351731496.db2.gz VVHKXDLZDBBVJD-JTQLQIEISA-N 2 2 238.335 0.894 20 0 BCADLP CCc1c[nH]c(CC(=O)N[C@H](C[NH3+])C2CC2)[nH+]1 ZINC000637854718 351713792 /nfs/dbraw/zinc/71/37/92/351713792.db2.gz DQUAJNMAJCNTEC-SNVBAGLBSA-N 2 2 236.319 0.368 20 0 BCADLP CCc1c[nH]c(CC(=O)N[C@@H](C[NH3+])C2CC2)[nH+]1 ZINC000637854717 351714201 /nfs/dbraw/zinc/71/42/01/351714201.db2.gz DQUAJNMAJCNTEC-JTQLQIEISA-N 2 2 236.319 0.368 20 0 BCADLP [NH3+][C@H]1CC=C(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000638076048 351948429 /nfs/dbraw/zinc/94/84/29/351948429.db2.gz NKGYEJGKOGYRPC-LBPRGKRZSA-N 2 2 248.330 0.827 20 0 BCADLP C[C@@H](C[NH3+])CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638145379 352008114 /nfs/dbraw/zinc/00/81/14/352008114.db2.gz QSOCEGUJQMPVHM-DJLDLDEBSA-N 2 2 222.292 0.224 20 0 BCADLP C[C@@H](C[NH3+])CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638145379 352008118 /nfs/dbraw/zinc/00/81/18/352008118.db2.gz QSOCEGUJQMPVHM-DJLDLDEBSA-N 2 2 222.292 0.224 20 0 BCADLP Cc1cc(C(=O)NCC2C[NH2+]C2)c2[nH+]ccn2c1 ZINC000638150838 352011864 /nfs/dbraw/zinc/01/18/64/352011864.db2.gz ZKGCFXNAEHVNEN-UHFFFAOYSA-N 2 2 244.298 0.592 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)CCC1C[NH2+]C1 ZINC000638099292 351978867 /nfs/dbraw/zinc/97/88/67/351978867.db2.gz SFMCZGRXNVQNJN-UHFFFAOYSA-N 2 2 219.288 0.750 20 0 BCADLP CCc1c[nH]c(CC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[nH+]1 ZINC000638213574 352075746 /nfs/dbraw/zinc/07/57/46/352075746.db2.gz FGQMNWWKHBLJSR-AOOOYVTPSA-N 2 2 248.330 0.192 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000638204802 352067430 /nfs/dbraw/zinc/06/74/30/352067430.db2.gz FQYSPYAMXMWLAR-SCZZXKLOSA-N 2 2 236.319 0.469 20 0 BCADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H](C)C[NH2+]1 ZINC000638157859 352025581 /nfs/dbraw/zinc/02/55/81/352025581.db2.gz GFTOGTYYUCCOCE-UKKRHICBSA-N 2 2 248.330 0.722 20 0 BCADLP CCc1c[nH]c(CC(=O)NCC2([NH3+])CCC2)[nH+]1 ZINC000638161990 352026680 /nfs/dbraw/zinc/02/66/80/352026680.db2.gz KLXNLPJFCHBDKV-UHFFFAOYSA-N 2 2 236.319 0.512 20 0 BCADLP CC(C)C[C@H](C(=O)N[C@H](C)C[NH3+])n1cc[nH+]c1 ZINC000638171061 352038013 /nfs/dbraw/zinc/03/80/13/352038013.db2.gz JOEFITWZYWXHCM-GHMZBOCLSA-N 2 2 238.335 0.934 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405225912 352129086 /nfs/dbraw/zinc/12/90/86/352129086.db2.gz SQDMKHKPXNPWRT-HBNTYKKESA-N 2 2 244.335 0.234 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405225912 352129089 /nfs/dbraw/zinc/12/90/89/352129089.db2.gz SQDMKHKPXNPWRT-HBNTYKKESA-N 2 2 244.335 0.234 20 0 BCADLP CC[N@@H+]1CCN(CCn2cc[nH+]c2)[C@@H](C)C1 ZINC000286342379 352085606 /nfs/dbraw/zinc/08/56/06/352085606.db2.gz FDNQRWVJSHNZGC-LBPRGKRZSA-N 2 2 222.336 0.909 20 0 BCADLP CC[N@H+]1CCN(CCn2cc[nH+]c2)[C@@H](C)C1 ZINC000286342379 352085610 /nfs/dbraw/zinc/08/56/10/352085610.db2.gz FDNQRWVJSHNZGC-LBPRGKRZSA-N 2 2 222.336 0.909 20 0 BCADLP CC[N@@H+]1CCN(Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000286386381 352087508 /nfs/dbraw/zinc/08/75/08/352087508.db2.gz GUPVTXJHGLTQMH-LLVKDONJSA-N 2 2 222.336 0.946 20 0 BCADLP CC[N@H+]1CCN(Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000286386381 352087510 /nfs/dbraw/zinc/08/75/10/352087510.db2.gz GUPVTXJHGLTQMH-LLVKDONJSA-N 2 2 222.336 0.946 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000638247559 352093791 /nfs/dbraw/zinc/09/37/91/352093791.db2.gz OKZSEZZZWCUUQK-GHMZBOCLSA-N 2 2 248.330 0.471 20 0 BCADLP CCc1c[nH]c(CC(=O)N[C@H](C)[C@H](C)[NH3+])[nH+]1 ZINC000638254870 352098072 /nfs/dbraw/zinc/09/80/72/352098072.db2.gz IZVMNLDWZQSNHW-JGVFFNPUSA-N 2 2 224.308 0.367 20 0 BCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC([NH3+])C1 ZINC000638256629 352099958 /nfs/dbraw/zinc/09/99/58/352099958.db2.gz WFODJCDCBWXABF-YDYPAMBWSA-N 2 2 234.303 0.461 20 0 BCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC([NH3+])C1 ZINC000638256629 352099960 /nfs/dbraw/zinc/09/99/60/352099960.db2.gz WFODJCDCBWXABF-YDYPAMBWSA-N 2 2 234.303 0.461 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638270011 352107502 /nfs/dbraw/zinc/10/75/02/352107502.db2.gz DFBSFOWDNQMRIF-FXPVBKGRSA-N 2 2 248.330 0.770 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638270011 352107505 /nfs/dbraw/zinc/10/75/05/352107505.db2.gz DFBSFOWDNQMRIF-FXPVBKGRSA-N 2 2 248.330 0.770 20 0 BCADLP Cn1ncnc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000638308942 352136479 /nfs/dbraw/zinc/13/64/79/352136479.db2.gz ORZFRUGUATWSME-UHFFFAOYSA-N 2 2 237.351 0.781 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000638336760 352155479 /nfs/dbraw/zinc/15/54/79/352155479.db2.gz XGDHVNMTKHEZJG-SNVBAGLBSA-N 2 2 238.335 0.750 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000638336760 352155481 /nfs/dbraw/zinc/15/54/81/352155481.db2.gz XGDHVNMTKHEZJG-SNVBAGLBSA-N 2 2 238.335 0.750 20 0 BCADLP CCc1c[nH]c(CC(=O)N[C@@H](C)C[NH2+]C)[nH+]1 ZINC000638431491 352239541 /nfs/dbraw/zinc/23/95/41/352239541.db2.gz FBXURYABQMOMJI-QMMMGPOBSA-N 2 2 224.308 0.239 20 0 BCADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ncnn2C)C1 ZINC000638451555 352259977 /nfs/dbraw/zinc/25/99/77/352259977.db2.gz PJEGXVBZQATMTP-NSHDSACASA-N 2 2 237.351 0.637 20 0 BCADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ncnn2C)C1 ZINC000638451555 352259978 /nfs/dbraw/zinc/25/99/78/352259978.db2.gz PJEGXVBZQATMTP-NSHDSACASA-N 2 2 237.351 0.637 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000638435575 352245928 /nfs/dbraw/zinc/24/59/28/352245928.db2.gz CZEYVEXXSRNUCP-NSHDSACASA-N 2 2 222.292 0.129 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000638435575 352245930 /nfs/dbraw/zinc/24/59/30/352245930.db2.gz CZEYVEXXSRNUCP-NSHDSACASA-N 2 2 222.292 0.129 20 0 BCADLP CCN(CC[NH3+])C(=O)NCc1[nH+]ccn1CC ZINC000627049538 363170300 /nfs/dbraw/zinc/17/03/00/363170300.db2.gz VLOBAOBIRUNPBX-UHFFFAOYSA-N 2 2 239.323 0.393 20 0 BCADLP C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[NH2+]C1 ZINC000638439387 352248946 /nfs/dbraw/zinc/24/89/46/352248946.db2.gz HPWSYRVUXJETDJ-LNLATYFQSA-N 2 2 234.303 0.381 20 0 BCADLP C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[NH2+]C1 ZINC000638439387 352248949 /nfs/dbraw/zinc/24/89/49/352248949.db2.gz HPWSYRVUXJETDJ-LNLATYFQSA-N 2 2 234.303 0.381 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638515085 352340690 /nfs/dbraw/zinc/34/06/90/352340690.db2.gz YBTAGFWJNWRUIQ-LLVKDONJSA-N 2 2 248.330 0.661 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638515085 352340693 /nfs/dbraw/zinc/34/06/93/352340693.db2.gz YBTAGFWJNWRUIQ-LLVKDONJSA-N 2 2 248.330 0.661 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638515086 352340860 /nfs/dbraw/zinc/34/08/60/352340860.db2.gz YBTAGFWJNWRUIQ-NSHDSACASA-N 2 2 248.330 0.661 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638515086 352340864 /nfs/dbraw/zinc/34/08/64/352340864.db2.gz YBTAGFWJNWRUIQ-NSHDSACASA-N 2 2 248.330 0.661 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)[C@H]1CC1(F)F ZINC000638597478 352428919 /nfs/dbraw/zinc/42/89/19/352428919.db2.gz XIBNTHUJUVZMSC-GARJFASQSA-N 2 2 247.333 0.866 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)[C@H]1CC1(F)F ZINC000638597478 352428922 /nfs/dbraw/zinc/42/89/22/352428922.db2.gz XIBNTHUJUVZMSC-GARJFASQSA-N 2 2 247.333 0.866 20 0 BCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCO2)C1 ZINC000638636661 352478611 /nfs/dbraw/zinc/47/86/11/352478611.db2.gz GIGQNOGCLXHHLH-QWHCGFSZSA-N 2 2 242.363 0.866 20 0 BCADLP COCC[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCO2)C1 ZINC000638636661 352478613 /nfs/dbraw/zinc/47/86/13/352478613.db2.gz GIGQNOGCLXHHLH-QWHCGFSZSA-N 2 2 242.363 0.866 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c[nH+]1 ZINC000638644637 352488584 /nfs/dbraw/zinc/48/85/84/352488584.db2.gz QRCVXDGAKQVSBO-APPZFPTMSA-N 2 2 222.292 0.588 20 0 BCADLP Cn1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)nn1 ZINC000608054066 352650939 /nfs/dbraw/zinc/65/09/39/352650939.db2.gz SJIGPUQROMJOAE-UHFFFAOYSA-N 2 2 249.362 0.779 20 0 BCADLP Cn1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1=O ZINC000613418194 363195874 /nfs/dbraw/zinc/19/58/74/363195874.db2.gz QMOVPXMLAMEJLN-UHFFFAOYSA-N 2 2 249.358 0.911 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCOCCOC)C1 ZINC000343034144 352940944 /nfs/dbraw/zinc/94/09/44/352940944.db2.gz MRECMVQUTWSRSO-CHWSQXEVSA-N 2 2 244.379 0.969 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCOCCOC)C1 ZINC000343034144 352940946 /nfs/dbraw/zinc/94/09/46/352940946.db2.gz MRECMVQUTWSRSO-CHWSQXEVSA-N 2 2 244.379 0.969 20 0 BCADLP CC[C@@](C)(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000638858411 353035156 /nfs/dbraw/zinc/03/51/56/353035156.db2.gz PBKOMABUHAZEKW-WCQYABFASA-N 2 2 241.379 0.960 20 0 BCADLP CO[C@@]1(C[NH2+]CC[N@@H+]2CC[C@@H](C)C2)CCOC1 ZINC000638874027 353044359 /nfs/dbraw/zinc/04/43/59/353044359.db2.gz PFEJSSPPVLIPQK-CHWSQXEVSA-N 2 2 242.363 0.723 20 0 BCADLP CO[C@@]1(C[NH2+]CC[N@H+]2CC[C@@H](C)C2)CCOC1 ZINC000638874027 353044361 /nfs/dbraw/zinc/04/43/61/353044361.db2.gz PFEJSSPPVLIPQK-CHWSQXEVSA-N 2 2 242.363 0.723 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000638938389 353118143 /nfs/dbraw/zinc/11/81/43/353118143.db2.gz XMGIDXCRFIFXPA-ONGXEEELSA-N 2 2 244.298 0.896 20 0 BCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917365 353081224 /nfs/dbraw/zinc/08/12/24/353081224.db2.gz ORRJMHRAYSYYGL-VWYCJHECSA-N 2 2 246.314 0.018 20 0 BCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(N)=O ZINC000336752809 353086057 /nfs/dbraw/zinc/08/60/57/353086057.db2.gz GPBZREPSTXCNNS-NXEZZACHSA-N 2 2 213.325 0.324 20 0 BCADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(N)=O ZINC000336752809 353086060 /nfs/dbraw/zinc/08/60/60/353086060.db2.gz GPBZREPSTXCNNS-NXEZZACHSA-N 2 2 213.325 0.324 20 0 BCADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(N)=O ZINC000336752814 353086211 /nfs/dbraw/zinc/08/62/11/353086211.db2.gz GPBZREPSTXCNNS-ZJUUUORDSA-N 2 2 213.325 0.324 20 0 BCADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(N)=O ZINC000336752814 353086215 /nfs/dbraw/zinc/08/62/15/353086215.db2.gz GPBZREPSTXCNNS-ZJUUUORDSA-N 2 2 213.325 0.324 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638928541 353098132 /nfs/dbraw/zinc/09/81/32/353098132.db2.gz AUEXPQCVRNRQSN-CBAPKCEASA-N 2 2 222.292 0.209 20 0 BCADLP Cn1cc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)nn1 ZINC000329293600 538108804 /nfs/dbraw/zinc/10/88/04/538108804.db2.gz RQKIVQWNUDHGMH-JTQLQIEISA-N 2 2 246.318 0.679 20 0 BCADLP OC[C@@H]1CC(F)(F)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000372498529 188075033 /nfs/dbraw/zinc/07/50/33/188075033.db2.gz XOGLNYUDSRWHCK-JTQLQIEISA-N 2 2 245.273 0.975 20 0 BCADLP OC[C@@H]1CC(F)(F)C[N@H+]1CCCn1cc[nH+]c1 ZINC000372498529 188075035 /nfs/dbraw/zinc/07/50/35/188075035.db2.gz XOGLNYUDSRWHCK-JTQLQIEISA-N 2 2 245.273 0.975 20 0 BCADLP CCCC[C@@H]([NH3+])C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000037619571 358475756 /nfs/dbraw/zinc/47/57/56/358475756.db2.gz KDSUMGRRHJXUEQ-WDEREUQCSA-N 2 2 238.335 0.905 20 0 BCADLP CC(C)[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000020361565 188108618 /nfs/dbraw/zinc/10/86/18/188108618.db2.gz HJRXYLJTLGRHLR-NSHDSACASA-N 2 2 227.352 0.395 20 0 BCADLP CC(C)C[C@H](C[NH3+])NC(=O)CCn1cc[nH+]c1 ZINC000111829086 188152164 /nfs/dbraw/zinc/15/21/64/188152164.db2.gz BKGOQKBOUIGYQO-LLVKDONJSA-N 2 2 238.335 0.763 20 0 BCADLP C1CC1[N@@H+]1CC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000044685921 188152699 /nfs/dbraw/zinc/15/26/99/188152699.db2.gz UMZAJGVOXMZPSN-LLVKDONJSA-N 2 2 210.321 0.992 20 0 BCADLP C1CC1[N@H+]1CC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000044685921 188152701 /nfs/dbraw/zinc/15/27/01/188152701.db2.gz UMZAJGVOXMZPSN-LLVKDONJSA-N 2 2 210.321 0.992 20 0 BCADLP CC(C)N1CCC[C@H]([NH2+]CC2([NH3+])CCC2)C1=O ZINC000342126777 188218378 /nfs/dbraw/zinc/21/83/78/188218378.db2.gz FEMUSPBQGRSOSY-NSHDSACASA-N 2 2 239.363 0.857 20 0 BCADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000134560010 538113347 /nfs/dbraw/zinc/11/33/47/538113347.db2.gz RKFZLSWRRGRAPW-PSASIEDQSA-N 2 2 226.324 0.291 20 0 BCADLP CC[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000251488248 353281969 /nfs/dbraw/zinc/28/19/69/353281969.db2.gz CVCOAUCGMKKHQL-WDEREUQCSA-N 2 2 225.336 0.196 20 0 BCADLP CC[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000251488248 353281971 /nfs/dbraw/zinc/28/19/71/353281971.db2.gz CVCOAUCGMKKHQL-WDEREUQCSA-N 2 2 225.336 0.196 20 0 BCADLP C[C@H](c1cnccn1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000085282225 538115908 /nfs/dbraw/zinc/11/59/08/538115908.db2.gz MSUFRKLXEOEHGV-GMTAPVOTSA-N 2 2 218.304 0.689 20 0 BCADLP CC[NH+](CC)CCC[N@H+](CC)CC(N)=O ZINC000190569551 353393285 /nfs/dbraw/zinc/39/32/85/353393285.db2.gz ZSHAWNJOKMXQTK-UHFFFAOYSA-N 2 2 215.341 0.526 20 0 BCADLP CC[NH+](CC)CCC[N@@H+](CC)CC(N)=O ZINC000190569551 353393288 /nfs/dbraw/zinc/39/32/88/353393288.db2.gz ZSHAWNJOKMXQTK-UHFFFAOYSA-N 2 2 215.341 0.526 20 0 BCADLP c1cn(CCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c[nH+]1 ZINC000085283255 538116423 /nfs/dbraw/zinc/11/64/23/538116423.db2.gz FZNNXRSMZWIPIG-VXGBXAGGSA-N 3 2 220.320 0.424 20 0 BCADLP c1cn(CCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c[nH+]1 ZINC000085283253 538116449 /nfs/dbraw/zinc/11/64/49/538116449.db2.gz FZNNXRSMZWIPIG-TXEJJXNPSA-N 3 2 220.320 0.424 20 0 BCADLP c1cn(CCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c[nH+]1 ZINC000085283253 538116450 /nfs/dbraw/zinc/11/64/50/538116450.db2.gz FZNNXRSMZWIPIG-TXEJJXNPSA-N 3 2 220.320 0.424 20 0 BCADLP Cc1ncsc1CC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000165513176 353380778 /nfs/dbraw/zinc/38/07/78/353380778.db2.gz CCUPSBJHVXKHBF-JTQLQIEISA-N 2 2 241.360 0.654 20 0 BCADLP Cc1ncsc1CC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000165513176 353380780 /nfs/dbraw/zinc/38/07/80/353380780.db2.gz CCUPSBJHVXKHBF-JTQLQIEISA-N 2 2 241.360 0.654 20 0 BCADLP Cc1cc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c(C#N)c[nH+]1 ZINC000399004239 353552502 /nfs/dbraw/zinc/55/25/02/353552502.db2.gz VVWDEIRSLGUJNJ-RYUDHWBXSA-N 2 2 228.299 0.917 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]1C1CC1 ZINC000577865422 366091405 /nfs/dbraw/zinc/09/14/05/366091405.db2.gz AMDJRDPMSVYBRE-RYUDHWBXSA-N 2 2 212.337 0.783 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]1C1CC1 ZINC000577865422 366091407 /nfs/dbraw/zinc/09/14/07/366091407.db2.gz AMDJRDPMSVYBRE-RYUDHWBXSA-N 2 2 212.337 0.783 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]1C1CC1 ZINC000577865422 366091409 /nfs/dbraw/zinc/09/14/09/366091409.db2.gz AMDJRDPMSVYBRE-RYUDHWBXSA-N 2 2 212.337 0.783 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]1C1CC1 ZINC000577865422 366091411 /nfs/dbraw/zinc/09/14/11/366091411.db2.gz AMDJRDPMSVYBRE-RYUDHWBXSA-N 2 2 212.337 0.783 20 0 BCADLP CN(C(=O)CCn1cc[nH+]c1)C1CC[NH2+]CC1 ZINC000036283019 188459008 /nfs/dbraw/zinc/45/90/08/188459008.db2.gz LMTKXWHIKOVVAX-UHFFFAOYSA-N 2 2 236.319 0.484 20 0 BCADLP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000353811798 353741919 /nfs/dbraw/zinc/74/19/19/353741919.db2.gz FBUDNHAGPKEZOS-WDEREUQCSA-N 2 2 236.319 0.660 20 0 BCADLP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000353811798 353741922 /nfs/dbraw/zinc/74/19/22/353741922.db2.gz FBUDNHAGPKEZOS-WDEREUQCSA-N 2 2 236.319 0.660 20 0 BCADLP CC[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623176395 354011684 /nfs/dbraw/zinc/01/16/84/354011684.db2.gz YJNNVHQVZJVXCE-SNVBAGLBSA-N 2 2 236.319 0.171 20 0 BCADLP C[C@@H]1C[C@@H](C[N@@H+]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000334587633 354213519 /nfs/dbraw/zinc/21/35/19/354213519.db2.gz YBOOIXLJDBRRSY-NEPJUHHUSA-N 3 2 211.353 0.670 20 0 BCADLP C[C@@H]1C[C@@H](C[N@H+]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000334587633 354213520 /nfs/dbraw/zinc/21/35/20/354213520.db2.gz YBOOIXLJDBRRSY-NEPJUHHUSA-N 3 2 211.353 0.670 20 0 BCADLP C[C@@]1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[NH2+]C1 ZINC000623180567 354244849 /nfs/dbraw/zinc/24/48/49/354244849.db2.gz MZSJASXFDGFTGV-GXFFZTMASA-N 2 2 248.330 0.314 20 0 BCADLP CC1CC([NH2+]C[C@H]2C[N@H+](C)CCN2C)C1 ZINC000231788227 363353963 /nfs/dbraw/zinc/35/39/63/363353963.db2.gz LXNCJPVQDOUMDD-MCIGGMRASA-N 2 2 211.353 0.620 20 0 BCADLP CC1CC([NH2+]C[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000231788227 363353967 /nfs/dbraw/zinc/35/39/67/363353967.db2.gz LXNCJPVQDOUMDD-MCIGGMRASA-N 2 2 211.353 0.620 20 0 BCADLP Cc1ncc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c(=O)[nH]1 ZINC000344338571 354234520 /nfs/dbraw/zinc/23/45/20/354234520.db2.gz XNBZPVWVFBNBCD-GZMMTYOYSA-N 2 2 236.319 0.530 20 0 BCADLP Cc1ncc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c(=O)[nH]1 ZINC000344338571 354234522 /nfs/dbraw/zinc/23/45/22/354234522.db2.gz XNBZPVWVFBNBCD-GZMMTYOYSA-N 2 2 236.319 0.530 20 0 BCADLP COCCN1CC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000344486949 354286248 /nfs/dbraw/zinc/28/62/48/354286248.db2.gz SEDUWZMEENUELM-AVGNSLFASA-N 2 2 241.379 0.247 20 0 BCADLP COCCN1CC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000344486949 354286250 /nfs/dbraw/zinc/28/62/50/354286250.db2.gz SEDUWZMEENUELM-AVGNSLFASA-N 2 2 241.379 0.247 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@]1(CCO)CCOC1 ZINC000344799976 354376373 /nfs/dbraw/zinc/37/63/73/354376373.db2.gz VTKYODSJKYOMAK-FRRDWIJNSA-N 2 2 242.363 0.315 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@]1(CCO)CCOC1 ZINC000344799976 354376375 /nfs/dbraw/zinc/37/63/75/354376375.db2.gz VTKYODSJKYOMAK-FRRDWIJNSA-N 2 2 242.363 0.315 20 0 BCADLP CCC(=O)N1CC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000344773593 354360343 /nfs/dbraw/zinc/36/03/43/354360343.db2.gz LKQFESHJRSODTA-WOPDTQHZSA-N 2 2 239.363 0.537 20 0 BCADLP CCC(=O)N1CC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000344773593 354360344 /nfs/dbraw/zinc/36/03/44/354360344.db2.gz LKQFESHJRSODTA-WOPDTQHZSA-N 2 2 239.363 0.537 20 0 BCADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC([NH3+])CC1 ZINC000334630384 354372880 /nfs/dbraw/zinc/37/28/80/354372880.db2.gz CDVJSZNVBZFUOB-JTQLQIEISA-N 2 2 227.352 0.665 20 0 BCADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC([NH3+])CC1 ZINC000334630387 354372923 /nfs/dbraw/zinc/37/29/23/354372923.db2.gz CDVJSZNVBZFUOB-SNVBAGLBSA-N 2 2 227.352 0.665 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C[C@H]1CS2 ZINC000578024295 366189671 /nfs/dbraw/zinc/18/96/71/366189671.db2.gz TYWGKAJIQXSNCR-AXFHLTTASA-N 2 2 230.377 0.489 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C[C@H]1CS2 ZINC000578024295 366189673 /nfs/dbraw/zinc/18/96/73/366189673.db2.gz TYWGKAJIQXSNCR-AXFHLTTASA-N 2 2 230.377 0.489 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000578024295 366189674 /nfs/dbraw/zinc/18/96/74/366189674.db2.gz TYWGKAJIQXSNCR-AXFHLTTASA-N 2 2 230.377 0.489 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000578024295 366189676 /nfs/dbraw/zinc/18/96/76/366189676.db2.gz TYWGKAJIQXSNCR-AXFHLTTASA-N 2 2 230.377 0.489 20 0 BCADLP O=C1C[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CCCN1 ZINC000639191378 354509069 /nfs/dbraw/zinc/50/90/69/354509069.db2.gz ITYXYCIOORCTDZ-NXEZZACHSA-N 2 2 248.330 0.525 20 0 BCADLP O=C1C[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CCCN1 ZINC000639191378 354509070 /nfs/dbraw/zinc/50/90/70/354509070.db2.gz ITYXYCIOORCTDZ-NXEZZACHSA-N 2 2 248.330 0.525 20 0 BCADLP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345791765 354769813 /nfs/dbraw/zinc/76/98/13/354769813.db2.gz XAEFCKFULOHSBC-RKDXNWHRSA-N 2 2 249.305 0.440 20 0 BCADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)CC(N)=O)n2c1 ZINC000345859207 354808018 /nfs/dbraw/zinc/80/80/18/354808018.db2.gz ROYOAHJDOWDIIC-JTQLQIEISA-N 2 2 246.314 0.996 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000346325271 354897267 /nfs/dbraw/zinc/89/72/67/354897267.db2.gz XMNCNAGRDLUHRX-UTUOFQBUSA-N 2 2 241.379 0.926 20 0 BCADLP C[C@H](CC(=O)N(C)C)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000346325271 354897269 /nfs/dbraw/zinc/89/72/69/354897269.db2.gz XMNCNAGRDLUHRX-UTUOFQBUSA-N 2 2 241.379 0.926 20 0 BCADLP OC[C@@H]1C[C@H](F)C[N@@H+]1CCC[NH+]1CCCC1 ZINC000346392179 354908747 /nfs/dbraw/zinc/90/87/47/354908747.db2.gz ZUFHGKSPKIGYPY-RYUDHWBXSA-N 2 2 230.327 0.877 20 0 BCADLP OC[C@@H]1C[C@H](F)C[N@H+]1CCC[NH+]1CCCC1 ZINC000346392179 354908750 /nfs/dbraw/zinc/90/87/50/354908750.db2.gz ZUFHGKSPKIGYPY-RYUDHWBXSA-N 2 2 230.327 0.877 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000346556509 354967740 /nfs/dbraw/zinc/96/77/40/354967740.db2.gz XYEFYWARAVREMZ-QWHCGFSZSA-N 2 2 244.379 0.705 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000346556509 354967742 /nfs/dbraw/zinc/96/77/42/354967742.db2.gz XYEFYWARAVREMZ-QWHCGFSZSA-N 2 2 244.379 0.705 20 0 BCADLP C[NH+](C)C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000346842134 355134225 /nfs/dbraw/zinc/13/42/25/355134225.db2.gz WPCZKKNERTWWAR-ZDUSSCGKSA-N 3 2 241.379 0.248 20 0 BCADLP C[NH+](C)C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000346842134 355134227 /nfs/dbraw/zinc/13/42/27/355134227.db2.gz WPCZKKNERTWWAR-ZDUSSCGKSA-N 3 2 241.379 0.248 20 0 BCADLP CC(C)([NH3+])C[N@H+](CCO)Cc1cccnc1 ZINC000346847655 355136470 /nfs/dbraw/zinc/13/64/70/355136470.db2.gz PQIRFFTUFUYJFW-UHFFFAOYSA-N 2 2 223.320 0.613 20 0 BCADLP CC(C)([NH3+])C[N@@H+](CCO)Cc1cccnc1 ZINC000346847655 355136471 /nfs/dbraw/zinc/13/64/71/355136471.db2.gz PQIRFFTUFUYJFW-UHFFFAOYSA-N 2 2 223.320 0.613 20 0 BCADLP CCOC(=O)C1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000346853462 355138948 /nfs/dbraw/zinc/13/89/48/355138948.db2.gz SLDAMDSMVJLOKT-UHFFFAOYSA-N 2 2 228.336 0.999 20 0 BCADLP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@H](C)[NH+](C)C ZINC000639233206 355214459 /nfs/dbraw/zinc/21/44/59/355214459.db2.gz BKZDUQJSQRCNJE-SDDRHHMPSA-N 2 2 241.379 0.973 20 0 BCADLP C[C@H]1C[N@H+](Cc2ccnc(N(C)C)n2)CC[C@@H]1[NH3+] ZINC000346995656 355193456 /nfs/dbraw/zinc/19/34/56/355193456.db2.gz BRLOHQIOMIOISJ-JQWIXIFHSA-N 2 2 249.362 0.712 20 0 BCADLP C[C@H]1C[N@@H+](Cc2ccnc(N(C)C)n2)CC[C@@H]1[NH3+] ZINC000346995656 355193458 /nfs/dbraw/zinc/19/34/58/355193458.db2.gz BRLOHQIOMIOISJ-JQWIXIFHSA-N 2 2 249.362 0.712 20 0 BCADLP Cn1nnc2cc(C[N@@H+]3CCC[C@@H]3C[NH3+])ccc21 ZINC000347015447 355205434 /nfs/dbraw/zinc/20/54/34/355205434.db2.gz JGRZJGIHDQLGJL-LLVKDONJSA-N 2 2 245.330 0.891 20 0 BCADLP Cn1nnc2cc(C[N@H+]3CCC[C@@H]3C[NH3+])ccc21 ZINC000347015447 355205437 /nfs/dbraw/zinc/20/54/37/355205437.db2.gz JGRZJGIHDQLGJL-LLVKDONJSA-N 2 2 245.330 0.891 20 0 BCADLP O[C@H]1C[C@@H](C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000623748876 355274777 /nfs/dbraw/zinc/27/47/77/355274777.db2.gz LKYRBSDTBRUDEF-JGZJWPJOSA-N 2 2 221.304 0.690 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC000113515866 355252727 /nfs/dbraw/zinc/25/27/27/355252727.db2.gz MHHGQEKRHSOPDQ-NSHDSACASA-N 2 2 241.379 0.785 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC000113515866 355252729 /nfs/dbraw/zinc/25/27/29/355252729.db2.gz MHHGQEKRHSOPDQ-NSHDSACASA-N 2 2 241.379 0.785 20 0 BCADLP CSC[C@H](O)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000584346218 355367865 /nfs/dbraw/zinc/36/78/65/355367865.db2.gz XCQHUOMGXOUQLM-VHSXEESVSA-N 2 2 229.349 0.585 20 0 BCADLP CSC[C@@H](O)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000584346219 355367879 /nfs/dbraw/zinc/36/78/79/355367879.db2.gz XCQHUOMGXOUQLM-ZJUUUORDSA-N 2 2 229.349 0.585 20 0 BCADLP CO[C@@]1(C[NH2+]CC2([NH+](C)C)CC2)CCOC1 ZINC000639273142 355344509 /nfs/dbraw/zinc/34/45/09/355344509.db2.gz SSGJQXFUGGNAQL-GFCCVEGCSA-N 2 2 228.336 0.476 20 0 BCADLP CN1CC[C@H]([N@@H+]2CCC[C@@H]([NH+](C)C)CC2)C1=O ZINC000335774901 355399939 /nfs/dbraw/zinc/39/99/39/355399939.db2.gz WDMTUUQIYRXAQF-NEPJUHHUSA-N 2 2 239.363 0.633 20 0 BCADLP CN1CC[C@H]([N@H+]2CCC[C@@H]([NH+](C)C)CC2)C1=O ZINC000335774901 355399941 /nfs/dbraw/zinc/39/99/41/355399941.db2.gz WDMTUUQIYRXAQF-NEPJUHHUSA-N 2 2 239.363 0.633 20 0 BCADLP COC[C@@](C)(CCO)[NH2+]CC[NH2+]C(C)(C)C ZINC000414713198 191553719 /nfs/dbraw/zinc/55/37/19/191553719.db2.gz TYDBNCPQPRGEJC-GFCCVEGCSA-N 2 2 232.368 0.752 20 0 BCADLP C[NH2+]CC[NH2+]Cc1cccc2c[nH]nc21 ZINC000414820156 191582011 /nfs/dbraw/zinc/58/20/11/191582011.db2.gz IVFPMOBBXWIPHC-UHFFFAOYSA-N 2 2 204.277 0.872 20 0 BCADLP CO[C@H](C[N@H+](C)CC1C[NH+](C)C1)[C@H]1CCOC1 ZINC000639308887 355663579 /nfs/dbraw/zinc/66/35/79/355663579.db2.gz DZQZZFCKONWTNK-QWHCGFSZSA-N 2 2 242.363 0.531 20 0 BCADLP CO[C@H](C[N@@H+](C)CC1C[NH+](C)C1)[C@H]1CCOC1 ZINC000639308887 355663581 /nfs/dbraw/zinc/66/35/81/355663581.db2.gz DZQZZFCKONWTNK-QWHCGFSZSA-N 2 2 242.363 0.531 20 0 BCADLP CO[C@@H](C[N@H+](C)CC1C[NH+](C)C1)C1CC1 ZINC000639310658 355664429 /nfs/dbraw/zinc/66/44/29/355664429.db2.gz VEQNZYYVJSBRBO-LBPRGKRZSA-N 2 2 212.337 0.905 20 0 BCADLP CO[C@@H](C[N@@H+](C)CC1C[NH+](C)C1)C1CC1 ZINC000639310658 355664434 /nfs/dbraw/zinc/66/44/34/355664434.db2.gz VEQNZYYVJSBRBO-LBPRGKRZSA-N 2 2 212.337 0.905 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335890458 355683505 /nfs/dbraw/zinc/68/35/05/355683505.db2.gz OMFUHFGBLNHLEO-ZDUSSCGKSA-N 2 2 239.363 0.539 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335890458 355683507 /nfs/dbraw/zinc/68/35/07/355683507.db2.gz OMFUHFGBLNHLEO-ZDUSSCGKSA-N 2 2 239.363 0.539 20 0 BCADLP CC(C)NC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335890458 355683511 /nfs/dbraw/zinc/68/35/11/355683511.db2.gz OMFUHFGBLNHLEO-ZDUSSCGKSA-N 2 2 239.363 0.539 20 0 BCADLP CC(C)NC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335890458 355683514 /nfs/dbraw/zinc/68/35/14/355683514.db2.gz OMFUHFGBLNHLEO-ZDUSSCGKSA-N 2 2 239.363 0.539 20 0 BCADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)[C@H]1CC1(F)F ZINC000639356595 355810881 /nfs/dbraw/zinc/81/08/81/355810881.db2.gz DUBUUOBSJKBAOU-LPEHRKFASA-N 2 2 234.290 0.686 20 0 BCADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)[C@H]1CC1(F)F ZINC000639356595 355810884 /nfs/dbraw/zinc/81/08/84/355810884.db2.gz DUBUUOBSJKBAOU-LPEHRKFASA-N 2 2 234.290 0.686 20 0 BCADLP Cc1cc(N[C@@H]2CC[NH2+]C2)c(C#N)c[nH+]1 ZINC000399007105 355817212 /nfs/dbraw/zinc/81/72/12/355817212.db2.gz ZIDQIDXRWIKKMB-SNVBAGLBSA-N 2 2 202.261 0.457 20 0 BCADLP CCn1c[nH+]cc1C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000628368020 355862336 /nfs/dbraw/zinc/86/23/36/355862336.db2.gz HGAOIPCHFUXEPU-GFCCVEGCSA-N 2 2 239.319 0.486 20 0 BCADLP CCn1c[nH+]cc1C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000628368020 355862338 /nfs/dbraw/zinc/86/23/38/355862338.db2.gz HGAOIPCHFUXEPU-GFCCVEGCSA-N 2 2 239.319 0.486 20 0 BCADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn2cccnc2n1 ZINC000216199733 355926305 /nfs/dbraw/zinc/92/63/05/355926305.db2.gz XVVXQKRUCYEDBN-QWRGUYRKSA-N 2 2 245.330 0.898 20 0 BCADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn2cccnc2n1 ZINC000216199733 355926307 /nfs/dbraw/zinc/92/63/07/355926307.db2.gz XVVXQKRUCYEDBN-QWRGUYRKSA-N 2 2 245.330 0.898 20 0 BCADLP Cc1cn2c([nH+]1)CC[C@H](NC(=O)C(C)(C)[NH3+])C2 ZINC000167152885 355961890 /nfs/dbraw/zinc/96/18/90/355961890.db2.gz ADPWBELXHAYIQO-VIFPVBQESA-N 2 2 236.319 0.360 20 0 BCADLP CC[N@H+](CC[NH2+][C@H](C)CC(=O)NC)C1CC1 ZINC000167197120 355968967 /nfs/dbraw/zinc/96/89/67/355968967.db2.gz YTWNPTTUBLOKHF-SNVBAGLBSA-N 2 2 227.352 0.585 20 0 BCADLP CC[N@@H+](CC[NH2+][C@H](C)CC(=O)NC)C1CC1 ZINC000167197120 355968971 /nfs/dbraw/zinc/96/89/71/355968971.db2.gz YTWNPTTUBLOKHF-SNVBAGLBSA-N 2 2 227.352 0.585 20 0 BCADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623258226 356065140 /nfs/dbraw/zinc/06/51/40/356065140.db2.gz LCUCYVPFSSNFPA-QWRGUYRKSA-N 2 2 248.330 0.266 20 0 BCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623258226 356065144 /nfs/dbraw/zinc/06/51/44/356065144.db2.gz LCUCYVPFSSNFPA-QWRGUYRKSA-N 2 2 248.330 0.266 20 0 BCADLP NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266884173 181231244 /nfs/dbraw/zinc/23/12/44/181231244.db2.gz BBUHHDKGARGXKL-QMMMGPOBSA-N 2 2 208.265 0.074 20 0 BCADLP NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266884173 181231246 /nfs/dbraw/zinc/23/12/46/181231246.db2.gz BBUHHDKGARGXKL-QMMMGPOBSA-N 2 2 208.265 0.074 20 0 BCADLP CN(Cc1[nH+]ccn1C)[C@@H]1C[NH+]2CCC1CC2 ZINC000639398587 356118308 /nfs/dbraw/zinc/11/83/08/356118308.db2.gz RHKPLJYORXNTSW-GFCCVEGCSA-N 2 2 234.347 0.946 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2nnc(C3CC3)n2C)C1 ZINC000351863556 356100332 /nfs/dbraw/zinc/10/03/32/356100332.db2.gz UKAGEOUGFCLPLJ-MWLCHTKSSA-N 2 2 249.362 0.862 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nnc(C3CC3)n2C)C1 ZINC000351863556 356100338 /nfs/dbraw/zinc/10/03/38/356100338.db2.gz UKAGEOUGFCLPLJ-MWLCHTKSSA-N 2 2 249.362 0.862 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2nnc(C3CC3)n2C)C1 ZINC000351863548 356100908 /nfs/dbraw/zinc/10/09/08/356100908.db2.gz UKAGEOUGFCLPLJ-GXSJLCMTSA-N 2 2 249.362 0.862 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nnc(C3CC3)n2C)C1 ZINC000351863548 356100912 /nfs/dbraw/zinc/10/09/12/356100912.db2.gz UKAGEOUGFCLPLJ-GXSJLCMTSA-N 2 2 249.362 0.862 20 0 BCADLP Cc1cc(C)c(CNC(=O)N[C@H](C)C[NH3+])c[nH+]1 ZINC000418273036 192010584 /nfs/dbraw/zinc/01/05/84/192010584.db2.gz XZZQZVFYJPYXBA-SNVBAGLBSA-N 2 2 236.319 0.845 20 0 BCADLP CN(Cc1c[nH+]cn1C)[C@H]1C[NH+]2CCC1CC2 ZINC000639400225 356137475 /nfs/dbraw/zinc/13/74/75/356137475.db2.gz ZMTBOKSGIJMAJC-ZDUSSCGKSA-N 2 2 234.347 0.946 20 0 BCADLP Cc1nc(N2CCO[C@@H](C[NH3+])C2)c(C)c(C)[nH+]1 ZINC000420231568 192180848 /nfs/dbraw/zinc/18/08/48/192180848.db2.gz CASYBPXZZZLQSU-NSHDSACASA-N 2 2 236.319 0.566 20 0 BCADLP COC(=O)CC1(C[N@@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC000420265044 192191703 /nfs/dbraw/zinc/19/17/03/192191703.db2.gz AZLQXNTURVJMAQ-JTQLQIEISA-N 2 2 226.320 0.753 20 0 BCADLP COC(=O)CC1(C[N@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC000420265044 192191705 /nfs/dbraw/zinc/19/17/05/192191705.db2.gz AZLQXNTURVJMAQ-JTQLQIEISA-N 2 2 226.320 0.753 20 0 BCADLP CC(C)N(C)C(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000420296403 192205833 /nfs/dbraw/zinc/20/58/33/192205833.db2.gz BUSAKPFLRRXVIN-GFCCVEGCSA-N 2 2 229.368 0.816 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)[C@@H]1CCOC1 ZINC000639481845 356296964 /nfs/dbraw/zinc/29/69/64/356296964.db2.gz GFOBHZNGVDYHHI-LLVKDONJSA-N 2 2 209.293 0.683 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@@H]1CCOC1 ZINC000639481845 356296968 /nfs/dbraw/zinc/29/69/68/356296968.db2.gz GFOBHZNGVDYHHI-LLVKDONJSA-N 2 2 209.293 0.683 20 0 BCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(C)CC1 ZINC000617765541 356327936 /nfs/dbraw/zinc/32/79/36/356327936.db2.gz FQWLHUVLLIKZDA-UHFFFAOYSA-N 2 2 241.379 0.786 20 0 BCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(C)CC1 ZINC000617765541 356327940 /nfs/dbraw/zinc/32/79/40/356327940.db2.gz FQWLHUVLLIKZDA-UHFFFAOYSA-N 2 2 241.379 0.786 20 0 BCADLP CCOC(=O)CC[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000420283306 192199791 /nfs/dbraw/zinc/19/97/91/192199791.db2.gz BXEQSQINQQRIJN-WDEREUQCSA-N 2 2 228.336 0.999 20 0 BCADLP CCOC(=O)CC[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000420283306 192199793 /nfs/dbraw/zinc/19/97/93/192199793.db2.gz BXEQSQINQQRIJN-WDEREUQCSA-N 2 2 228.336 0.999 20 0 BCADLP C[C@H](C(=O)NCCNc1cccc[nH+]1)[NH+](C)C ZINC000639493686 356316326 /nfs/dbraw/zinc/31/63/26/356316326.db2.gz RDIYROKCLRNYDS-SNVBAGLBSA-N 2 2 236.319 0.560 20 0 BCADLP C[C@H](CCNC(=O)CCc1[nH]cc[nH+]1)[NH+](C)C ZINC000617757829 356318522 /nfs/dbraw/zinc/31/85/22/356318522.db2.gz BNYHWXKSJWMSGA-SNVBAGLBSA-N 2 2 238.335 0.799 20 0 BCADLP COC[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639495015 356321110 /nfs/dbraw/zinc/32/11/10/356321110.db2.gz MNCCERFANJHOJY-LLVKDONJSA-N 2 2 223.320 0.931 20 0 BCADLP COC[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639495015 356321113 /nfs/dbraw/zinc/32/11/13/356321113.db2.gz MNCCERFANJHOJY-LLVKDONJSA-N 2 2 223.320 0.931 20 0 BCADLP CCOC(=O)CCCC[N@H+](C)CC[NH2+]C ZINC000420340320 192216223 /nfs/dbraw/zinc/21/62/23/192216223.db2.gz RGNTVQJTOYBVAL-UHFFFAOYSA-N 2 2 216.325 0.871 20 0 BCADLP CCOC(=O)CCCC[N@@H+](C)CC[NH2+]C ZINC000420340320 192216224 /nfs/dbraw/zinc/21/62/24/192216224.db2.gz RGNTVQJTOYBVAL-UHFFFAOYSA-N 2 2 216.325 0.871 20 0 BCADLP Cc1nc2n(n1)CC[N@@H+](CCc1c[nH+]cn1C)C2 ZINC000639514308 356347490 /nfs/dbraw/zinc/34/74/90/356347490.db2.gz NFGZOILKSAAMOB-UHFFFAOYSA-N 2 2 246.318 0.378 20 0 BCADLP Cc1nc2n(n1)CC[N@H+](CCc1c[nH+]cn1C)C2 ZINC000639514308 356347492 /nfs/dbraw/zinc/34/74/92/356347492.db2.gz NFGZOILKSAAMOB-UHFFFAOYSA-N 2 2 246.318 0.378 20 0 BCADLP NC(=O)[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000152646120 181267762 /nfs/dbraw/zinc/26/77/62/181267762.db2.gz KAGUJNDSYYWHRI-JTQLQIEISA-N 2 2 222.292 0.223 20 0 BCADLP NC(=O)[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000152646120 181267765 /nfs/dbraw/zinc/26/77/65/181267765.db2.gz KAGUJNDSYYWHRI-JTQLQIEISA-N 2 2 222.292 0.223 20 0 BCADLP C[NH2+]CCC[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000420367586 192225783 /nfs/dbraw/zinc/22/57/83/192225783.db2.gz HCGCFFWDQCBMDJ-TUAOUCFPSA-N 2 2 240.347 0.869 20 0 BCADLP C[NH2+]CCC[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000420367586 192225786 /nfs/dbraw/zinc/22/57/86/192225786.db2.gz HCGCFFWDQCBMDJ-TUAOUCFPSA-N 2 2 240.347 0.869 20 0 BCADLP C[N@H+](CC[NH3+])CCC(=O)NCC1CCCCC1 ZINC000420367931 192225828 /nfs/dbraw/zinc/22/58/28/192225828.db2.gz AMNQJXIJWNKELO-UHFFFAOYSA-N 2 2 241.379 0.964 20 0 BCADLP C[N@@H+](CC[NH3+])CCC(=O)NCC1CCCCC1 ZINC000420367931 192225831 /nfs/dbraw/zinc/22/58/31/192225831.db2.gz AMNQJXIJWNKELO-UHFFFAOYSA-N 2 2 241.379 0.964 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC000420367667 192226323 /nfs/dbraw/zinc/22/63/23/192226323.db2.gz NAOKCCTVRYKJFK-ZNSHCXBVSA-N 2 2 225.336 0.193 20 0 BCADLP [NH3+]C[C@@H]([NH2+]CC(=O)NC1CC1)C1CCCCC1 ZINC000420370208 192226847 /nfs/dbraw/zinc/22/68/47/192226847.db2.gz YRIZNNFDEFYPNJ-GFCCVEGCSA-N 2 2 239.363 0.762 20 0 BCADLP CN(CC1CC1)C(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420358444 192219773 /nfs/dbraw/zinc/21/97/73/192219773.db2.gz ITDAHAHBLSQMBO-NSHDSACASA-N 2 2 241.379 0.818 20 0 BCADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)N(C)C ZINC000420361143 192222317 /nfs/dbraw/zinc/22/23/17/192222317.db2.gz HVHLWUIKMULSSF-CHWFTXMASA-N 2 2 227.352 0.439 20 0 BCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)N(C)C ZINC000420360695 192222621 /nfs/dbraw/zinc/22/26/21/192222621.db2.gz HIJFKLNPDXYMJH-YWVKMMECSA-N 2 2 213.325 0.051 20 0 BCADLP CCOC(=O)[C@@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000420361970 192222830 /nfs/dbraw/zinc/22/28/30/192222830.db2.gz NVCKJIRKLOHYKY-VHSXEESVSA-N 2 2 214.309 0.609 20 0 BCADLP CCOC(=O)[C@@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000420361970 192222832 /nfs/dbraw/zinc/22/28/32/192222832.db2.gz NVCKJIRKLOHYKY-VHSXEESVSA-N 2 2 214.309 0.609 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCc1c[nH+]cn1C ZINC000420365738 192224090 /nfs/dbraw/zinc/22/40/90/192224090.db2.gz LKVGVMKXOHKIRU-FOGDFJRCSA-N 2 2 222.336 0.896 20 0 BCADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)NCC1CCC1 ZINC000420364592 192224269 /nfs/dbraw/zinc/22/42/69/192224269.db2.gz PHLCQSIPBITPKB-NSHDSACASA-N 2 2 241.379 0.866 20 0 BCADLP CC[C@H](C)NC(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420368538 192225126 /nfs/dbraw/zinc/22/51/26/192225126.db2.gz NPRMWUVBILJGEW-MEWQQHAOSA-N 2 2 241.379 0.877 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)N1CCCC1 ZINC000420377341 192234226 /nfs/dbraw/zinc/23/42/26/192234226.db2.gz WEMOKWNLKXJKNF-NQBHXWOUSA-N 2 2 239.363 0.585 20 0 BCADLP CSCC[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000041051031 358505415 /nfs/dbraw/zinc/50/54/15/358505415.db2.gz APUMHWYOYGKSTD-VIFPVBQESA-N 2 2 242.348 0.080 20 0 BCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC000420379692 192233060 /nfs/dbraw/zinc/23/30/60/192233060.db2.gz XYMVQTCSACJQMJ-BREBYQMCSA-N 2 2 239.363 0.489 20 0 BCADLP CN(C)C(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420380090 192233221 /nfs/dbraw/zinc/23/32/21/192233221.db2.gz YCBPQNHUQFEPQB-LLVKDONJSA-N 2 2 227.352 0.572 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2c[nH]nc2C1 ZINC000639544243 356407668 /nfs/dbraw/zinc/40/76/68/356407668.db2.gz HQTFXJLJPQKRMN-UHFFFAOYSA-N 2 2 231.303 0.744 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCc2c[nH]nc2C1 ZINC000639544243 356407671 /nfs/dbraw/zinc/40/76/71/356407671.db2.gz HQTFXJLJPQKRMN-UHFFFAOYSA-N 2 2 231.303 0.744 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2cn[nH]c2C1 ZINC000639544243 356407674 /nfs/dbraw/zinc/40/76/74/356407674.db2.gz HQTFXJLJPQKRMN-UHFFFAOYSA-N 2 2 231.303 0.744 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCc2cn[nH]c2C1 ZINC000639544243 356407679 /nfs/dbraw/zinc/40/76/79/356407679.db2.gz HQTFXJLJPQKRMN-UHFFFAOYSA-N 2 2 231.303 0.744 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+](C)CCc1cnccn1 ZINC000639559010 356464967 /nfs/dbraw/zinc/46/49/67/356464967.db2.gz NBYWSCVZBLQKCC-UHFFFAOYSA-N 2 2 245.330 0.927 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+](C)CCc1cnccn1 ZINC000639559010 356464971 /nfs/dbraw/zinc/46/49/71/356464971.db2.gz NBYWSCVZBLQKCC-UHFFFAOYSA-N 2 2 245.330 0.927 20 0 BCADLP C[C@H]1C[C@@H](O)C[N@@H+]1CCc1c[nH+]cn1C ZINC000639551694 356436555 /nfs/dbraw/zinc/43/65/55/356436555.db2.gz NBCSTGRJLJCKFJ-GXSJLCMTSA-N 2 2 209.293 0.418 20 0 BCADLP C[C@H]1C[C@@H](O)C[N@H+]1CCc1c[nH+]cn1C ZINC000639551694 356436557 /nfs/dbraw/zinc/43/65/57/356436557.db2.gz NBCSTGRJLJCKFJ-GXSJLCMTSA-N 2 2 209.293 0.418 20 0 BCADLP NC(=O)[C@H](c1ccccc1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359295773 181278603 /nfs/dbraw/zinc/27/86/03/181278603.db2.gz XPGBVHWKUYJIRE-AVGNSLFASA-N 2 2 245.326 0.364 20 0 BCADLP NC(=O)[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000152646008 181279785 /nfs/dbraw/zinc/27/97/85/181279785.db2.gz KAGUJNDSYYWHRI-SNVBAGLBSA-N 2 2 222.292 0.223 20 0 BCADLP NC(=O)[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000152646008 181279786 /nfs/dbraw/zinc/27/97/86/181279786.db2.gz KAGUJNDSYYWHRI-SNVBAGLBSA-N 2 2 222.292 0.223 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCCC[NH+](C)C ZINC000632839194 356543638 /nfs/dbraw/zinc/54/36/38/356543638.db2.gz NNCYTSYMNMYZBU-UHFFFAOYSA-N 2 2 239.323 0.503 20 0 BCADLP Cc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c(=O)n1C ZINC000336215184 134136096 /nfs/dbraw/zinc/13/60/96/134136096.db2.gz GCDVVVNERSQFKR-GWCFXTLKSA-N 2 2 249.358 0.733 20 0 BCADLP Cc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c(=O)n1C ZINC000336215184 134136097 /nfs/dbraw/zinc/13/60/97/134136097.db2.gz GCDVVVNERSQFKR-GWCFXTLKSA-N 2 2 249.358 0.733 20 0 BCADLP CC[N@H+](CCc1c[nH+]cn1C)[C@H](C)CO ZINC000639652585 356563796 /nfs/dbraw/zinc/56/37/96/356563796.db2.gz SLCMEWWZWJEFTH-SNVBAGLBSA-N 2 2 211.309 0.665 20 0 BCADLP CC[N@@H+](CCc1c[nH+]cn1C)[C@H](C)CO ZINC000639652585 356563800 /nfs/dbraw/zinc/56/38/00/356563800.db2.gz SLCMEWWZWJEFTH-SNVBAGLBSA-N 2 2 211.309 0.665 20 0 BCADLP CN(CCC[NH+](C)C)c1[nH+]cnc2c1cnn2C ZINC000180108685 366377740 /nfs/dbraw/zinc/37/77/40/366377740.db2.gz ZZGOCPZJACYQQS-UHFFFAOYSA-N 2 2 248.334 0.751 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CCO1 ZINC000623758552 356814499 /nfs/dbraw/zinc/81/44/99/356814499.db2.gz GLRLQOVJDAVGNG-SDDRHHMPSA-N 2 2 228.336 0.210 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)CCO1 ZINC000623758552 356814502 /nfs/dbraw/zinc/81/45/02/356814502.db2.gz GLRLQOVJDAVGNG-SDDRHHMPSA-N 2 2 228.336 0.210 20 0 BCADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cn[nH]n3)CC[C@@H]21 ZINC000450498943 202186898 /nfs/dbraw/zinc/18/68/98/202186898.db2.gz HTMONGKVLBWERT-PWSUYJOCSA-N 2 2 235.335 0.721 20 0 BCADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cn[nH]n3)CC[C@@H]21 ZINC000450498943 202186900 /nfs/dbraw/zinc/18/69/00/202186900.db2.gz HTMONGKVLBWERT-PWSUYJOCSA-N 2 2 235.335 0.721 20 0 BCADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cn[nH]n3)CC[C@@H]21 ZINC000450498943 202186903 /nfs/dbraw/zinc/18/69/03/202186903.db2.gz HTMONGKVLBWERT-PWSUYJOCSA-N 2 2 235.335 0.721 20 0 BCADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cn[nH]n3)CC[C@@H]21 ZINC000450498943 202186905 /nfs/dbraw/zinc/18/69/05/202186905.db2.gz HTMONGKVLBWERT-PWSUYJOCSA-N 2 2 235.335 0.721 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cncnc2)C1 ZINC000353557980 538749708 /nfs/dbraw/zinc/74/97/08/538749708.db2.gz CSFHJCDANGUBMA-NSHDSACASA-N 2 2 220.320 0.860 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cncnc2)C1 ZINC000353557980 538749711 /nfs/dbraw/zinc/74/97/11/538749711.db2.gz CSFHJCDANGUBMA-NSHDSACASA-N 2 2 220.320 0.860 20 0 BCADLP COC(=O)[C@@]1(C)CC[N@H+](CC[NH2+]C(C)C)C1 ZINC000193460916 357102599 /nfs/dbraw/zinc/10/25/99/357102599.db2.gz PIKQCORFNKCUCF-LBPRGKRZSA-N 2 2 228.336 0.869 20 0 BCADLP COC(=O)[C@@]1(C)CC[N@@H+](CC[NH2+]C(C)C)C1 ZINC000193460916 357102603 /nfs/dbraw/zinc/10/26/03/357102603.db2.gz PIKQCORFNKCUCF-LBPRGKRZSA-N 2 2 228.336 0.869 20 0 BCADLP COCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000582434379 357150614 /nfs/dbraw/zinc/15/06/14/357150614.db2.gz SKHFTEPAPLDLKU-SNVBAGLBSA-N 2 2 209.293 0.856 20 0 BCADLP COCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000582434379 357150619 /nfs/dbraw/zinc/15/06/19/357150619.db2.gz SKHFTEPAPLDLKU-SNVBAGLBSA-N 2 2 209.293 0.856 20 0 BCADLP C[N@@H+]1CC[C@](O)(C[NH2+]CC2(F)CC2)C1 ZINC000393681381 357292796 /nfs/dbraw/zinc/29/27/96/357292796.db2.gz DSCLZGVELQIAEG-JTQLQIEISA-N 2 2 202.273 0.145 20 0 BCADLP C[N@H+]1CC[C@](O)(C[NH2+]CC2(F)CC2)C1 ZINC000393681381 357292802 /nfs/dbraw/zinc/29/28/02/357292802.db2.gz DSCLZGVELQIAEG-JTQLQIEISA-N 2 2 202.273 0.145 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C)(C)C1 ZINC000393876233 357303996 /nfs/dbraw/zinc/30/39/96/357303996.db2.gz GBJQSMUEKPNBAJ-GFCCVEGCSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(C)C1 ZINC000393876233 357303997 /nfs/dbraw/zinc/30/39/97/357303997.db2.gz GBJQSMUEKPNBAJ-GFCCVEGCSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC(C)(C)C1 ZINC000393876233 357304001 /nfs/dbraw/zinc/30/40/01/357304001.db2.gz GBJQSMUEKPNBAJ-GFCCVEGCSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC(C)(C)C1 ZINC000393876233 357304004 /nfs/dbraw/zinc/30/40/04/357304004.db2.gz GBJQSMUEKPNBAJ-GFCCVEGCSA-N 2 2 244.379 0.657 20 0 BCADLP CC(C)(C)[NH+]1CCC([NH2+]C2(C(N)=O)CC2)CC1 ZINC000582760492 357382756 /nfs/dbraw/zinc/38/27/56/357382756.db2.gz FZPOZGFJYGWUIU-UHFFFAOYSA-N 2 2 239.363 0.857 20 0 BCADLP C[C@H]([NH2+]C1CC1)C(=O)N(C)Cc1[nH+]ccn1C ZINC000394947899 357400956 /nfs/dbraw/zinc/40/09/56/357400956.db2.gz IQXBJJLSFMDLHG-VIFPVBQESA-N 2 2 236.319 0.519 20 0 BCADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1COC(C)(C)C1 ZINC000396472578 357480959 /nfs/dbraw/zinc/48/09/59/357480959.db2.gz PNMNWUDKZZDPSV-VHSXEESVSA-N 2 2 216.325 0.066 20 0 BCADLP CN1CC[C@@H]([N@H+](C)C[C@@H]2CCC[NH+](C)C2)C1=O ZINC000152361835 357514091 /nfs/dbraw/zinc/51/40/91/357514091.db2.gz BAKYKKIQASNTMB-VXGBXAGGSA-N 2 2 239.363 0.491 20 0 BCADLP CN1CC[C@@H]([N@@H+](C)C[C@@H]2CCC[NH+](C)C2)C1=O ZINC000152361835 357514098 /nfs/dbraw/zinc/51/40/98/357514098.db2.gz BAKYKKIQASNTMB-VXGBXAGGSA-N 2 2 239.363 0.491 20 0 BCADLP CN1CC[C@@H]([NH+](C)C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000152361835 357514101 /nfs/dbraw/zinc/51/41/01/357514101.db2.gz BAKYKKIQASNTMB-VXGBXAGGSA-N 2 2 239.363 0.491 20 0 BCADLP CN1CC[C@@H]([NH+](C)C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000152361835 357514104 /nfs/dbraw/zinc/51/41/04/357514104.db2.gz BAKYKKIQASNTMB-VXGBXAGGSA-N 2 2 239.363 0.491 20 0 BCADLP CN(C)C(=O)C(C)(C)[NH2+]CCn1cc[nH+]c1 ZINC000131942965 325191857 /nfs/dbraw/zinc/19/18/57/325191857.db2.gz ZGDXYRMRQAYXFN-UHFFFAOYSA-N 2 2 224.308 0.340 20 0 BCADLP CCN(C)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000231843421 357627807 /nfs/dbraw/zinc/62/78/07/357627807.db2.gz HMVBRICKYTXQKK-SDDRHHMPSA-N 2 2 241.379 0.926 20 0 BCADLP CCN(C)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000231843421 357627811 /nfs/dbraw/zinc/62/78/11/357627811.db2.gz HMVBRICKYTXQKK-SDDRHHMPSA-N 2 2 241.379 0.926 20 0 BCADLP OC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000063219070 357595103 /nfs/dbraw/zinc/59/51/03/357595103.db2.gz BOOPVYKMVWACQB-KBPBESRZSA-N 2 2 234.343 0.932 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC1(O)CCC1 ZINC000397628276 357616416 /nfs/dbraw/zinc/61/64/16/357616416.db2.gz LAEUNAHMKHZQQK-VXGBXAGGSA-N 2 2 242.363 0.648 20 0 BCADLP CN1CCC[N@H+](CCC[NH+]2CCCC2)CC1=O ZINC000191147589 357753641 /nfs/dbraw/zinc/75/36/41/357753641.db2.gz YTEOMBKIILNJMV-UHFFFAOYSA-N 2 2 239.363 0.636 20 0 BCADLP CN1CCC[N@@H+](CCC[NH+]2CCCC2)CC1=O ZINC000191147589 357753645 /nfs/dbraw/zinc/75/36/45/357753645.db2.gz YTEOMBKIILNJMV-UHFFFAOYSA-N 2 2 239.363 0.636 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]CCCCO)n1C ZINC000234288518 357780323 /nfs/dbraw/zinc/78/03/23/357780323.db2.gz GREFVWBUYYQLDV-UHFFFAOYSA-N 2 2 226.324 0.348 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000399062312 357895186 /nfs/dbraw/zinc/89/51/86/357895186.db2.gz ZFSKFTLMGLCFGR-SNVBAGLBSA-N 2 2 222.292 0.164 20 0 BCADLP [NH3+][C@@H](C(=O)NCc1[nH]cc[nH+]1)C1CCC1 ZINC000398975413 357893055 /nfs/dbraw/zinc/89/30/55/357893055.db2.gz BEVXTARTTQNJKD-SECBINFHSA-N 2 2 208.265 0.153 20 0 BCADLP CC1(C(=O)NCCCCn2cc[nH+]c2)C[NH2+]C1 ZINC000399296462 357902269 /nfs/dbraw/zinc/90/22/69/357902269.db2.gz NVNALHAULJQXHK-UHFFFAOYSA-N 2 2 236.319 0.389 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000584474739 357991518 /nfs/dbraw/zinc/99/15/18/357991518.db2.gz GBPYAAJUKMBKNV-PWSUYJOCSA-N 2 2 230.352 0.456 20 0 BCADLP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000584474739 357991521 /nfs/dbraw/zinc/99/15/21/357991521.db2.gz GBPYAAJUKMBKNV-PWSUYJOCSA-N 2 2 230.352 0.456 20 0 BCADLP CO[C@@H]1C[N@H+](Cc2c[nH+]cn2C)[C@@](C)(CO)C1 ZINC000640003395 358046614 /nfs/dbraw/zinc/04/66/14/358046614.db2.gz OCUPHRQEUMELDP-NWDGAFQWSA-N 2 2 239.319 0.392 20 0 BCADLP CO[C@@H]1C[N@@H+](Cc2c[nH+]cn2C)[C@@](C)(CO)C1 ZINC000640003395 358046617 /nfs/dbraw/zinc/04/66/17/358046617.db2.gz OCUPHRQEUMELDP-NWDGAFQWSA-N 2 2 239.319 0.392 20 0 BCADLP C([NH2+][C@H]1CCOC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000217749701 134249636 /nfs/dbraw/zinc/24/96/36/134249636.db2.gz MPKIYWLPICSMON-TUAOUCFPSA-N 2 2 226.320 0.228 20 0 BCADLP C([NH2+][C@H]1CCOC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000217749701 134249637 /nfs/dbraw/zinc/24/96/37/134249637.db2.gz MPKIYWLPICSMON-TUAOUCFPSA-N 2 2 226.320 0.228 20 0 BCADLP CCC1([NH+](C)C)CC[NH+](CC(=O)N(C)C)CC1 ZINC000640015159 358068267 /nfs/dbraw/zinc/06/82/67/358068267.db2.gz FUCPHRMURNFABR-UHFFFAOYSA-N 2 2 241.379 0.881 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000584598442 358112365 /nfs/dbraw/zinc/11/23/65/358112365.db2.gz ISBKWLXINAYNDT-OLZOCXBDSA-N 3 2 240.395 0.093 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000584598442 358112367 /nfs/dbraw/zinc/11/23/67/358112367.db2.gz ISBKWLXINAYNDT-OLZOCXBDSA-N 3 2 240.395 0.093 20 0 BCADLP O[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCn1cc[nH+]c1)C2 ZINC000640076624 358173470 /nfs/dbraw/zinc/17/34/70/358173470.db2.gz KUWWWSCPPBWWAB-GRYCIOLGSA-N 2 2 221.304 0.728 20 0 BCADLP O[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCn1cc[nH+]c1)C2 ZINC000640076624 358173471 /nfs/dbraw/zinc/17/34/71/358173471.db2.gz KUWWWSCPPBWWAB-GRYCIOLGSA-N 2 2 221.304 0.728 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000584873089 358207779 /nfs/dbraw/zinc/20/77/79/358207779.db2.gz JWXOZXJSZGIIGA-NEPJUHHUSA-N 2 2 248.330 0.626 20 0 BCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000584873089 358207784 /nfs/dbraw/zinc/20/77/84/358207784.db2.gz JWXOZXJSZGIIGA-NEPJUHHUSA-N 2 2 248.330 0.626 20 0 BCADLP COCCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000584875738 358208178 /nfs/dbraw/zinc/20/81/78/358208178.db2.gz SVERKDKANAHULH-UHFFFAOYSA-N 2 2 224.308 0.568 20 0 BCADLP CC(C)COC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000226061721 358333342 /nfs/dbraw/zinc/33/33/42/358333342.db2.gz WDCHLANNPQTUPZ-OLZOCXBDSA-N 2 2 244.379 0.704 20 0 BCADLP CC(C)COC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000226061721 358333343 /nfs/dbraw/zinc/33/33/43/358333343.db2.gz WDCHLANNPQTUPZ-OLZOCXBDSA-N 2 2 244.379 0.704 20 0 BCADLP CC(C)OC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000226043535 358332766 /nfs/dbraw/zinc/33/27/66/358332766.db2.gz DJCCPKVNGUOMML-NEPJUHHUSA-N 2 2 230.352 0.456 20 0 BCADLP CC(C)OC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000226043535 358332770 /nfs/dbraw/zinc/33/27/70/358332770.db2.gz DJCCPKVNGUOMML-NEPJUHHUSA-N 2 2 230.352 0.456 20 0 BCADLP C[N@@H+]1CCN(C(=O)CC2CCC2)[C@@H](C[NH3+])C1 ZINC000226292961 358336315 /nfs/dbraw/zinc/33/63/15/358336315.db2.gz MBKYYPVRHRPNBE-NSHDSACASA-N 2 2 225.336 0.278 20 0 BCADLP C[N@H+]1CCN(C(=O)CC2CCC2)[C@@H](C[NH3+])C1 ZINC000226292961 358336319 /nfs/dbraw/zinc/33/63/19/358336319.db2.gz MBKYYPVRHRPNBE-NSHDSACASA-N 2 2 225.336 0.278 20 0 BCADLP c1cn(CCC[NH2+][C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000043325256 358373278 /nfs/dbraw/zinc/37/32/78/358373278.db2.gz UEIVADUFGWFGAO-LLVKDONJSA-N 3 2 208.309 0.615 20 0 BCADLP c1cn(CCC[NH2+][C@@H]2CCC[NH2+]C2)cn1 ZINC000043325256 358373284 /nfs/dbraw/zinc/37/32/84/358373284.db2.gz UEIVADUFGWFGAO-LLVKDONJSA-N 2 2 208.309 0.615 20 0 BCADLP COC(=O)[C@H]([NH2+]CCn1cc[nH+]c1)C(C)C ZINC000043442252 358376095 /nfs/dbraw/zinc/37/60/95/358376095.db2.gz FXJKMLCCGOMINO-SNVBAGLBSA-N 2 2 225.292 0.670 20 0 BCADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC000129714957 358594681 /nfs/dbraw/zinc/59/46/81/358594681.db2.gz VCTAAIUDTLBYMA-JTQLQIEISA-N 2 2 223.324 0.247 20 0 BCADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC000129714957 358594685 /nfs/dbraw/zinc/59/46/85/358594685.db2.gz VCTAAIUDTLBYMA-JTQLQIEISA-N 2 2 223.324 0.247 20 0 BCADLP CCC[N@H+](Cc1cn(C)nn1)C1CC[NH2+]CC1 ZINC000219648187 134288804 /nfs/dbraw/zinc/28/88/04/134288804.db2.gz IZGSFACSTZSWHG-UHFFFAOYSA-N 2 2 237.351 0.779 20 0 BCADLP CCC[N@@H+](Cc1cn(C)nn1)C1CC[NH2+]CC1 ZINC000219648187 134288805 /nfs/dbraw/zinc/28/88/05/134288805.db2.gz IZGSFACSTZSWHG-UHFFFAOYSA-N 2 2 237.351 0.779 20 0 BCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)C)[C@H](C)C1 ZINC000175727029 134288973 /nfs/dbraw/zinc/28/89/73/134288973.db2.gz JDWDOKOJCVRBHU-NEPJUHHUSA-N 2 2 241.379 0.737 20 0 BCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)C)[C@H](C)C1 ZINC000175727029 134288974 /nfs/dbraw/zinc/28/89/74/134288974.db2.gz JDWDOKOJCVRBHU-NEPJUHHUSA-N 2 2 241.379 0.737 20 0 BCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)C)[C@H](C)C1 ZINC000175727029 134288975 /nfs/dbraw/zinc/28/89/75/134288975.db2.gz JDWDOKOJCVRBHU-NEPJUHHUSA-N 2 2 241.379 0.737 20 0 BCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)C)[C@H](C)C1 ZINC000175727029 134288976 /nfs/dbraw/zinc/28/89/76/134288976.db2.gz JDWDOKOJCVRBHU-NEPJUHHUSA-N 2 2 241.379 0.737 20 0 BCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N1CCCC1 ZINC000133560306 358758547 /nfs/dbraw/zinc/75/85/47/358758547.db2.gz HCEZQEWKNUFRNS-LBPRGKRZSA-N 2 2 241.379 0.914 20 0 BCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCCC1 ZINC000133560306 358758551 /nfs/dbraw/zinc/75/85/51/358758551.db2.gz HCEZQEWKNUFRNS-LBPRGKRZSA-N 2 2 241.379 0.914 20 0 BCADLP CC[C@H](O)CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000135025283 358817036 /nfs/dbraw/zinc/81/70/36/358817036.db2.gz KALQOAFGKYCLKJ-NSHDSACASA-N 2 2 240.351 0.737 20 0 BCADLP CN(C)C(=O)N1CCC([NH2+]CC[NH+](C)C)CC1 ZINC000135118293 358821208 /nfs/dbraw/zinc/82/12/08/358821208.db2.gz KTYSFDPSCUEOJX-UHFFFAOYSA-N 2 2 242.367 0.284 20 0 BCADLP C[C@H](C[NH2+]Cc1cnnn1C)C[NH+]1CCCC1 ZINC000135856169 358852468 /nfs/dbraw/zinc/85/24/68/358852468.db2.gz ZDFJYSXFTODQAC-LLVKDONJSA-N 2 2 237.351 0.637 20 0 BCADLP COCCOCC[NH+]1CCC([NH+](C)C)CC1 ZINC000176890224 134294613 /nfs/dbraw/zinc/29/46/13/134294613.db2.gz RGMYOWDMPDQSCY-UHFFFAOYSA-N 2 2 230.352 0.675 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@]2(CCO)CCOC2)n1C ZINC000578338765 366526637 /nfs/dbraw/zinc/52/66/37/366526637.db2.gz WYOTWTOFNGUERA-LBPRGKRZSA-N 2 2 239.319 0.360 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCCOC2)n1C ZINC000070144251 359042870 /nfs/dbraw/zinc/04/28/70/359042870.db2.gz WDVIJOKRFDJVNJ-JTQLQIEISA-N 2 2 238.335 0.755 20 0 BCADLP C[C@@H](CNCc1c[nH+]c(N(C)C)n1C)[NH+](C)C ZINC000070143769 359042949 /nfs/dbraw/zinc/04/29/49/359042949.db2.gz AWKXMEHXFYYIQP-JTQLQIEISA-N 2 2 239.367 0.526 20 0 BCADLP CC[N@H+](C)CCNCc1c[nH+]c(N(C)C)n1C ZINC000070144132 359043094 /nfs/dbraw/zinc/04/30/94/359043094.db2.gz VOPLXNRGXPNHII-UHFFFAOYSA-N 2 2 239.367 0.527 20 0 BCADLP CC[N@@H+](C)CCNCc1c[nH+]c(N(C)C)n1C ZINC000070144132 359043098 /nfs/dbraw/zinc/04/30/98/359043098.db2.gz VOPLXNRGXPNHII-UHFFFAOYSA-N 2 2 239.367 0.527 20 0 BCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)C2CC2)n1C ZINC000070144234 359043419 /nfs/dbraw/zinc/04/34/19/359043419.db2.gz RMTGOEPLZABVBI-LLVKDONJSA-N 2 2 238.335 0.347 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246402743 359078333 /nfs/dbraw/zinc/07/83/33/359078333.db2.gz QTRIBTRLNOKWJJ-UWVGGRQHSA-N 2 2 213.325 0.134 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246402743 359078336 /nfs/dbraw/zinc/07/83/36/359078336.db2.gz QTRIBTRLNOKWJJ-UWVGGRQHSA-N 2 2 213.325 0.134 20 0 BCADLP CCCC[C@H]([NH3+])C(=O)NCc1[nH+]ccn1C ZINC000070855002 359065080 /nfs/dbraw/zinc/06/50/80/359065080.db2.gz VJMVFLJKPCXECF-VIFPVBQESA-N 2 2 224.308 0.554 20 0 BCADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000247706345 359241590 /nfs/dbraw/zinc/24/15/90/359241590.db2.gz ZAIGCXGOFDWLRO-RYUDHWBXSA-N 2 2 241.379 0.914 20 0 BCADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000247706345 359241596 /nfs/dbraw/zinc/24/15/96/359241596.db2.gz ZAIGCXGOFDWLRO-RYUDHWBXSA-N 2 2 241.379 0.914 20 0 BCADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCO ZINC000248050776 359253635 /nfs/dbraw/zinc/25/36/35/359253635.db2.gz WELMHFFXLNLUSQ-GXTWGEPZSA-N 2 2 249.358 0.874 20 0 BCADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCO ZINC000248050776 359253638 /nfs/dbraw/zinc/25/36/38/359253638.db2.gz WELMHFFXLNLUSQ-GXTWGEPZSA-N 2 2 249.358 0.874 20 0 BCADLP Cc1nc(N[C@@H](CO)C[NH+](C)C)cc[nH+]1 ZINC000309038170 491143078 /nfs/dbraw/zinc/14/30/78/491143078.db2.gz JKOLNXKEFQFUBQ-SECBINFHSA-N 2 2 210.281 0.119 20 0 BCADLP CC(=O)[C@](C)(O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000450904035 202306001 /nfs/dbraw/zinc/30/60/01/202306001.db2.gz MGRYTUHDIDVJOF-CYBMUJFWSA-N 2 2 242.363 0.744 20 0 BCADLP CC(=O)[C@](C)(O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000450904035 202306004 /nfs/dbraw/zinc/30/60/04/202306004.db2.gz MGRYTUHDIDVJOF-CYBMUJFWSA-N 2 2 242.363 0.744 20 0 BCADLP C[N@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000578409611 366558372 /nfs/dbraw/zinc/55/83/72/366558372.db2.gz HFGXENREWIOYHJ-LLVKDONJSA-N 2 2 236.319 0.341 20 0 BCADLP CC(C)[C@H]([NH3+])CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000578517705 366586434 /nfs/dbraw/zinc/58/64/34/366586434.db2.gz RBQMSDRXCSBNMU-WDEREUQCSA-N 2 2 238.335 0.934 20 0 BCADLP CC[NH+](CC)CCC[N@@H+]1CCOC[C@@H](O)C1 ZINC000451235967 202383128 /nfs/dbraw/zinc/38/31/28/202383128.db2.gz QNVIKLCAEZHKNR-LBPRGKRZSA-N 2 2 230.352 0.411 20 0 BCADLP CC[NH+](CC)CCC[N@H+]1CCOC[C@@H](O)C1 ZINC000451235967 202383130 /nfs/dbraw/zinc/38/31/30/202383130.db2.gz QNVIKLCAEZHKNR-LBPRGKRZSA-N 2 2 230.352 0.411 20 0 BCADLP CC(C)[C@H](NC(=O)[C@@H](C)[NH3+])c1[nH]cc[nH+]1 ZINC000578887814 366669212 /nfs/dbraw/zinc/66/92/12/366669212.db2.gz LISHYSVHRLQPMH-SFYZADRCSA-N 2 2 210.281 0.570 20 0 BCADLP CCN(CC)C(=O)N1CC[NH+](CCC[NH3+])CC1 ZINC000091961457 360138729 /nfs/dbraw/zinc/13/87/29/360138729.db2.gz MYOTYJLPJPPENB-UHFFFAOYSA-N 2 2 242.367 0.415 20 0 BCADLP c1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c[nH]1 ZINC000091662841 360121952 /nfs/dbraw/zinc/12/19/52/360121952.db2.gz HDJOTXQLWOFFGM-CHWSQXEVSA-N 2 2 235.331 0.968 20 0 BCADLP c1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c[nH]1 ZINC000091662841 360121957 /nfs/dbraw/zinc/12/19/57/360121957.db2.gz HDJOTXQLWOFFGM-CHWSQXEVSA-N 2 2 235.331 0.968 20 0 BCADLP Cn1nncc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000092253406 360159636 /nfs/dbraw/zinc/15/96/36/360159636.db2.gz PIFPULQIPQLXSJ-NSHDSACASA-N 2 2 237.351 0.589 20 0 BCADLP Cn1nncc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000092253406 360159643 /nfs/dbraw/zinc/15/96/43/360159643.db2.gz PIFPULQIPQLXSJ-NSHDSACASA-N 2 2 237.351 0.589 20 0 BCADLP Cn1nncc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000092253406 360159647 /nfs/dbraw/zinc/15/96/47/360159647.db2.gz PIFPULQIPQLXSJ-NSHDSACASA-N 2 2 237.351 0.589 20 0 BCADLP Cn1nncc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253406 360159651 /nfs/dbraw/zinc/15/96/51/360159651.db2.gz PIFPULQIPQLXSJ-NSHDSACASA-N 2 2 237.351 0.589 20 0 BCADLP COCCCNC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000093874135 360286263 /nfs/dbraw/zinc/28/62/63/360286263.db2.gz BNMZBQMYTJNXQI-UHFFFAOYSA-N 2 2 245.367 0.056 20 0 BCADLP COCCCNC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093874135 360286264 /nfs/dbraw/zinc/28/62/64/360286264.db2.gz BNMZBQMYTJNXQI-UHFFFAOYSA-N 2 2 245.367 0.056 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000094648315 360313864 /nfs/dbraw/zinc/31/38/64/360313864.db2.gz FHSCLDTVUAVWLE-QWRGUYRKSA-N 2 2 248.330 0.613 20 0 BCADLP Cn1c[nH+]cc1C[NH2+]CC(=O)NC1CCCC1 ZINC000388505959 360437881 /nfs/dbraw/zinc/43/78/81/360437881.db2.gz OOSYTFAYKVECNR-UHFFFAOYSA-N 2 2 236.319 0.569 20 0 BCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C1([NH+](C)C)CC1 ZINC000613190167 360500327 /nfs/dbraw/zinc/50/03/27/360500327.db2.gz DHBMIHBGSSSWJZ-WDEREUQCSA-N 2 2 239.363 0.632 20 0 BCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C1([NH+](C)C)CC1 ZINC000613190167 360500331 /nfs/dbraw/zinc/50/03/31/360500331.db2.gz DHBMIHBGSSSWJZ-WDEREUQCSA-N 2 2 239.363 0.632 20 0 BCADLP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)C[NH+](C)C)CC1 ZINC000154378139 360796535 /nfs/dbraw/zinc/79/65/35/360796535.db2.gz QYCDQKRZEUFWER-CYBMUJFWSA-N 3 2 243.395 0.371 20 0 BCADLP COC(=O)CCCC[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000238327116 360875929 /nfs/dbraw/zinc/87/59/29/360875929.db2.gz LNYHGWCXVVICCV-SECBINFHSA-N 2 2 200.282 0.363 20 0 BCADLP COC(=O)CCCC[N@H+]1CC[C@@H]([NH3+])C1 ZINC000238327116 360875934 /nfs/dbraw/zinc/87/59/34/360875934.db2.gz LNYHGWCXVVICCV-SECBINFHSA-N 2 2 200.282 0.363 20 0 BCADLP C[C@@H]1CC[C@H]([NH2+]Cc2cnc3cnccn23)C[NH2+]1 ZINC000629410008 361059545 /nfs/dbraw/zinc/05/95/45/361059545.db2.gz CUONQBSLZKZONG-MNOVXSKESA-N 2 2 245.330 0.959 20 0 BCADLP C[C@H]([NH3+])CC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424172277 200874432 /nfs/dbraw/zinc/87/44/32/200874432.db2.gz LLWKTJRRKZJYEN-JGVFFNPUSA-N 2 2 235.278 0.085 20 0 BCADLP CCO[C@H](C[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1)C1CC1 ZINC000629512672 361107720 /nfs/dbraw/zinc/10/77/20/361107720.db2.gz BPJNTWOAZSCDIQ-RAIGVLPGSA-N 2 2 242.363 0.850 20 0 BCADLP CCO[C@H](C[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1)C1CC1 ZINC000629512672 361107722 /nfs/dbraw/zinc/10/77/22/361107722.db2.gz BPJNTWOAZSCDIQ-RAIGVLPGSA-N 2 2 242.363 0.850 20 0 BCADLP CCn1nnc(C)c1C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000629512831 361107757 /nfs/dbraw/zinc/10/77/57/361107757.db2.gz CKTKDVRGWJZJDS-LBPRGKRZSA-N 2 2 237.351 0.823 20 0 BCADLP COc1cncc(C[N@H+](C)CCC[NH3+])n1 ZINC000629515050 361112754 /nfs/dbraw/zinc/11/27/54/361112754.db2.gz PUYYOBPMEMSBIL-UHFFFAOYSA-N 2 2 210.281 0.266 20 0 BCADLP COc1cncc(C[N@@H+](C)CCC[NH3+])n1 ZINC000629515050 361112758 /nfs/dbraw/zinc/11/27/58/361112758.db2.gz PUYYOBPMEMSBIL-UHFFFAOYSA-N 2 2 210.281 0.266 20 0 BCADLP COc1cncc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000629520234 361116599 /nfs/dbraw/zinc/11/65/99/361116599.db2.gz VAVWXKPXDNTTMU-CYBMUJFWSA-N 2 2 248.330 0.671 20 0 BCADLP COc1cncc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000629520234 361116601 /nfs/dbraw/zinc/11/66/01/361116601.db2.gz VAVWXKPXDNTTMU-CYBMUJFWSA-N 2 2 248.330 0.671 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000629528309 361135703 /nfs/dbraw/zinc/13/57/03/361135703.db2.gz WBSDWJOJBXEXBT-WRWGMCAJSA-N 3 2 211.353 0.844 20 0 BCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000629530368 361144782 /nfs/dbraw/zinc/14/47/82/361144782.db2.gz DTROLVJZVGTHQN-GFCCVEGCSA-N 2 2 237.351 0.777 20 0 BCADLP CCn1nnc(C)c1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000629530368 361144785 /nfs/dbraw/zinc/14/47/85/361144785.db2.gz DTROLVJZVGTHQN-GFCCVEGCSA-N 2 2 237.351 0.777 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000629525865 361126613 /nfs/dbraw/zinc/12/66/13/361126613.db2.gz DYAKOQYSOYDVAG-GARJFASQSA-N 2 2 246.376 0.294 20 0 BCADLP CCC[C@@H]([NH3+])C(=O)NCCc1[nH]cc[nH+]1 ZINC000158543127 361203739 /nfs/dbraw/zinc/20/37/39/361203739.db2.gz IGPKHTCNZIZCEA-MRVPVSSYSA-N 2 2 210.281 0.196 20 0 BCADLP C[C@@H](CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)n1cc[nH+]c1 ZINC000578996732 366689699 /nfs/dbraw/zinc/68/96/99/366689699.db2.gz GNYNYXPUEHMBPB-TUAOUCFPSA-N 2 2 248.330 0.655 20 0 BCADLP CCC[C@H](C)CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000579004783 366693113 /nfs/dbraw/zinc/69/31/13/366693113.db2.gz PEKZCIMLRYNKOY-NWDGAFQWSA-N 2 2 241.379 0.914 20 0 BCADLP CCC[C@H](C)CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000579004783 366693119 /nfs/dbraw/zinc/69/31/19/366693119.db2.gz PEKZCIMLRYNKOY-NWDGAFQWSA-N 2 2 241.379 0.914 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)n1C ZINC000579130151 366720355 /nfs/dbraw/zinc/72/03/55/366720355.db2.gz NHQXLIUKUWFHON-KWQFWETISA-N 2 2 236.319 0.343 20 0 BCADLP COC[C@@H](O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000579246127 366744296 /nfs/dbraw/zinc/74/42/96/366744296.db2.gz XARZVQYGOYIQCZ-QWRGUYRKSA-N 2 2 239.319 0.217 20 0 BCADLP COC[C@@H](O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000579246127 366744303 /nfs/dbraw/zinc/74/43/03/366744303.db2.gz XARZVQYGOYIQCZ-QWRGUYRKSA-N 2 2 239.319 0.217 20 0 BCADLP [NH3+]C1(C[NH2+]CC(=O)Nc2nccs2)CCC1 ZINC000342134646 181331184 /nfs/dbraw/zinc/33/11/84/181331184.db2.gz KZLBWVQAWUFKEN-UHFFFAOYSA-N 2 2 240.332 0.553 20 0 BCADLP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000170043381 361383046 /nfs/dbraw/zinc/38/30/46/361383046.db2.gz CENBUOCKWYZGDE-WDEREUQCSA-N 2 2 248.330 0.314 20 0 BCADLP [NH3+]C1(C[NH2+]CC(=O)NC2CCCCC2)CCC1 ZINC000342136510 181331472 /nfs/dbraw/zinc/33/14/72/181331472.db2.gz HGVLAXPOCIWIMP-UHFFFAOYSA-N 2 2 239.363 0.906 20 0 BCADLP [NH3+]C1(CNCCC[NH+]2CCOCC2)CCC1 ZINC000342088751 181332215 /nfs/dbraw/zinc/33/22/15/181332215.db2.gz AKRFIKYCQRUDNH-UHFFFAOYSA-N 2 2 227.352 0.180 20 0 BCADLP [NH3+]C1(C[NH2+]CCCN2CCOCC2)CCC1 ZINC000342088751 181332219 /nfs/dbraw/zinc/33/22/19/181332219.db2.gz AKRFIKYCQRUDNH-UHFFFAOYSA-N 2 2 227.352 0.180 20 0 BCADLP CCn1cc[nH+]c1CNC(=O)C[N@H+](C)C(C)C ZINC000579375095 366774786 /nfs/dbraw/zinc/77/47/86/366774786.db2.gz XIEGQEQBZMVXQN-UHFFFAOYSA-N 2 2 238.335 0.859 20 0 BCADLP CCn1cc[nH+]c1CNC(=O)C[N@@H+](C)C(C)C ZINC000579375095 366774791 /nfs/dbraw/zinc/77/47/91/366774791.db2.gz XIEGQEQBZMVXQN-UHFFFAOYSA-N 2 2 238.335 0.859 20 0 BCADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C[NH2+]1 ZINC000629540355 361414088 /nfs/dbraw/zinc/41/40/88/361414088.db2.gz OXIHBIAWTNRNRO-GRYCIOLGSA-N 3 2 211.353 0.859 20 0 BCADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C[NH2+]1 ZINC000629540361 361414465 /nfs/dbraw/zinc/41/44/65/361414465.db2.gz OXIHBIAWTNRNRO-UTUOFQBUSA-N 3 2 211.353 0.859 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NCC(C)(C)C ZINC000629545190 361425417 /nfs/dbraw/zinc/42/54/17/361425417.db2.gz CISFUSXTHSBUGC-QWRGUYRKSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NCC(C)(C)C ZINC000629545190 361425422 /nfs/dbraw/zinc/42/54/22/361425422.db2.gz CISFUSXTHSBUGC-QWRGUYRKSA-N 2 2 241.379 0.960 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+](CC2(C[NH3+])CC2)C1 ZINC000579473314 366820616 /nfs/dbraw/zinc/82/06/16/366820616.db2.gz PURPCGQJFIMBTD-NSHDSACASA-N 3 2 211.353 0.657 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC2(C[NH3+])CC2)C1 ZINC000579473314 366820618 /nfs/dbraw/zinc/82/06/18/366820618.db2.gz PURPCGQJFIMBTD-NSHDSACASA-N 3 2 211.353 0.657 20 0 BCADLP OC[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000579473409 366820976 /nfs/dbraw/zinc/82/09/76/366820976.db2.gz UFERQVDSRWSFEJ-WOPDTQHZSA-N 2 2 228.336 0.116 20 0 BCADLP COCCC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000629553159 361437640 /nfs/dbraw/zinc/43/76/40/361437640.db2.gz VCRXGJGFDNTTJQ-ZDUSSCGKSA-N 2 2 242.363 0.723 20 0 BCADLP CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000629553292 361437967 /nfs/dbraw/zinc/43/79/67/361437967.db2.gz FYFPNNHJFRWDLF-VWYCJHECSA-N 2 2 246.376 0.294 20 0 BCADLP C[C@H]1C[C@H](N[C@@H]2CC[NH2+]C2)c2[nH+]ccn21 ZINC000629553569 361439033 /nfs/dbraw/zinc/43/90/33/361439033.db2.gz AECISWNCDHWWJX-AEJSXWLSSA-N 2 2 206.293 0.840 20 0 BCADLP CCOC[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000629574811 361462978 /nfs/dbraw/zinc/46/29/78/361462978.db2.gz KZAZYWVZAZQVPJ-RYUDHWBXSA-N 2 2 228.336 0.333 20 0 BCADLP CCOC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000629574811 361462980 /nfs/dbraw/zinc/46/29/80/361462980.db2.gz KZAZYWVZAZQVPJ-RYUDHWBXSA-N 2 2 228.336 0.333 20 0 BCADLP C[NH2+]CCOCC[N@H+](C)[C@@H](C)c1nnc(C)[nH]1 ZINC000629572172 361463802 /nfs/dbraw/zinc/46/38/02/361463802.db2.gz ODMBOZGBMWJJMM-VIFPVBQESA-N 2 2 241.339 0.342 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1nnc(C)[nH]1 ZINC000629572172 361463804 /nfs/dbraw/zinc/46/38/04/361463804.db2.gz ODMBOZGBMWJJMM-VIFPVBQESA-N 2 2 241.339 0.342 20 0 BCADLP Cc1cnc(C[N@H+](C)CCOCC[NH3+])o1 ZINC000629578188 361465033 /nfs/dbraw/zinc/46/50/33/361465033.db2.gz OCFDGEJJUWKUJA-UHFFFAOYSA-N 2 2 213.281 0.390 20 0 BCADLP Cc1cnc(C[N@@H+](C)CCOCC[NH3+])o1 ZINC000629578188 361465038 /nfs/dbraw/zinc/46/50/38/361465038.db2.gz OCFDGEJJUWKUJA-UHFFFAOYSA-N 2 2 213.281 0.390 20 0 BCADLP C[N@H+](CCOCC[NH3+])Cc1nc(C2CC2)no1 ZINC000629579389 361465917 /nfs/dbraw/zinc/46/59/17/361465917.db2.gz LGRVKSJKGMUFAZ-UHFFFAOYSA-N 2 2 240.307 0.354 20 0 BCADLP C[N@@H+](CCOCC[NH3+])Cc1nc(C2CC2)no1 ZINC000629579389 361465925 /nfs/dbraw/zinc/46/59/25/361465925.db2.gz LGRVKSJKGMUFAZ-UHFFFAOYSA-N 2 2 240.307 0.354 20 0 BCADLP CCc1nnc([C@H](C)[N@H+](C)CCOCC[NH3+])[nH]1 ZINC000629580718 361469375 /nfs/dbraw/zinc/46/93/75/361469375.db2.gz FLMYDGCLZNSUOK-VIFPVBQESA-N 2 2 241.339 0.335 20 0 BCADLP CCc1nnc([C@H](C)[N@@H+](C)CCOCC[NH3+])[nH]1 ZINC000629580718 361469381 /nfs/dbraw/zinc/46/93/81/361469381.db2.gz FLMYDGCLZNSUOK-VIFPVBQESA-N 2 2 241.339 0.335 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000629580955 361471366 /nfs/dbraw/zinc/47/13/66/361471366.db2.gz HFGSGMIFBPKPPB-WDEREUQCSA-N 2 2 234.315 0.017 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCO[C@@H](CCF)C1 ZINC000629580955 361471370 /nfs/dbraw/zinc/47/13/70/361471370.db2.gz HFGSGMIFBPKPPB-WDEREUQCSA-N 2 2 234.315 0.017 20 0 BCADLP FC1(F)COCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000629582096 361472954 /nfs/dbraw/zinc/47/29/54/361472954.db2.gz NTUMFKNRTGQNPI-JTQLQIEISA-N 2 2 234.290 0.954 20 0 BCADLP FC1(F)COCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000629582096 361472958 /nfs/dbraw/zinc/47/29/58/361472958.db2.gz NTUMFKNRTGQNPI-JTQLQIEISA-N 2 2 234.290 0.954 20 0 BCADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@]2(C)CC[NH2+]C2)C[NH2+]1 ZINC000629659742 361564129 /nfs/dbraw/zinc/56/41/29/361564129.db2.gz GAJHHDYZNKVVMM-UTUOFQBUSA-N 3 2 211.353 0.716 20 0 BCADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000629660296 361566283 /nfs/dbraw/zinc/56/62/83/361566283.db2.gz REZSLBREMGAETR-IJLUTSLNSA-N 3 2 211.353 0.716 20 0 BCADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000629660297 361566359 /nfs/dbraw/zinc/56/63/59/361566359.db2.gz REZSLBREMGAETR-UTUOFQBUSA-N 3 2 211.353 0.716 20 0 BCADLP COC[C@@]1(C[NH2+]Cc2ccn(C)c2)CCC[NH2+]1 ZINC000629649689 361546744 /nfs/dbraw/zinc/54/67/44/361546744.db2.gz ZEDAAXOEDOFUDM-ZDUSSCGKSA-N 2 2 237.347 0.883 20 0 BCADLP C(C[NH+]1CCOCC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435241493 201257384 /nfs/dbraw/zinc/25/73/84/201257384.db2.gz GBXKRHZMBCWFSH-ZDUSSCGKSA-N 2 2 239.363 0.145 20 0 BCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cncs1 ZINC000154288885 201272850 /nfs/dbraw/zinc/27/28/50/201272850.db2.gz GHFCQMUIRYENSE-BDAKNGLRSA-N 2 2 229.349 0.716 20 0 BCADLP C[NH2+]CCCN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000435881479 201292204 /nfs/dbraw/zinc/29/22/04/201292204.db2.gz BHCVGUAQYXUWQE-CYBMUJFWSA-N 2 2 241.379 0.393 20 0 BCADLP C[NH2+]CCC[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000435870453 201290428 /nfs/dbraw/zinc/29/04/28/201290428.db2.gz GDLVWOFTWWPLSW-WDEREUQCSA-N 2 2 225.336 0.339 20 0 BCADLP C[NH2+]CCC[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000435870453 201290430 /nfs/dbraw/zinc/29/04/30/201290430.db2.gz GDLVWOFTWWPLSW-WDEREUQCSA-N 2 2 225.336 0.339 20 0 BCADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cncs1 ZINC000154288789 201273999 /nfs/dbraw/zinc/27/39/99/201273999.db2.gz GHFCQMUIRYENSE-IUCAKERBSA-N 2 2 229.349 0.716 20 0 BCADLP C[NH2+]CCC[NH+]1CCN(c2cnccn2)CC1 ZINC000435879126 201292751 /nfs/dbraw/zinc/29/27/51/201292751.db2.gz INUJPSDKDCQFDE-UHFFFAOYSA-N 2 2 235.335 0.208 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000435885471 201295284 /nfs/dbraw/zinc/29/52/84/201295284.db2.gz KMESSAWDCLSSFJ-LLVKDONJSA-N 2 2 225.336 0.339 20 0 BCADLP C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000435885471 201295287 /nfs/dbraw/zinc/29/52/87/201295287.db2.gz KMESSAWDCLSSFJ-LLVKDONJSA-N 2 2 225.336 0.339 20 0 BCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000155684947 201346416 /nfs/dbraw/zinc/34/64/16/201346416.db2.gz RAIPGGPAACBXRA-NEPJUHHUSA-N 3 2 222.336 0.813 20 0 BCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000155684947 201346418 /nfs/dbraw/zinc/34/64/18/201346418.db2.gz RAIPGGPAACBXRA-NEPJUHHUSA-N 3 2 222.336 0.813 20 0 BCADLP COC[C@@H](C)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000134281135 491162889 /nfs/dbraw/zinc/16/28/89/491162889.db2.gz LCQFCASUYAJCNO-QWRGUYRKSA-N 2 2 200.326 0.953 20 0 BCADLP COC[C@@H](C)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000134281135 491162890 /nfs/dbraw/zinc/16/28/90/491162890.db2.gz LCQFCASUYAJCNO-QWRGUYRKSA-N 2 2 200.326 0.953 20 0 BCADLP COC[C@H](C)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000134281114 491162892 /nfs/dbraw/zinc/16/28/92/491162892.db2.gz LCQFCASUYAJCNO-GHMZBOCLSA-N 2 2 200.326 0.953 20 0 BCADLP COC[C@H](C)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000134281114 491162893 /nfs/dbraw/zinc/16/28/93/491162893.db2.gz LCQFCASUYAJCNO-GHMZBOCLSA-N 2 2 200.326 0.953 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@@H](CO)C1 ZINC000631670970 364262758 /nfs/dbraw/zinc/26/27/58/364262758.db2.gz ZCQGFXAPSZRICG-MEWQQHAOSA-N 2 2 224.348 0.830 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@@H](CO)C1 ZINC000631670970 364262761 /nfs/dbraw/zinc/26/27/61/364262761.db2.gz ZCQGFXAPSZRICG-MEWQQHAOSA-N 2 2 224.348 0.830 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCCO2)n1C ZINC000579495898 366833318 /nfs/dbraw/zinc/83/33/18/366833318.db2.gz QEHLTEGESIEOHV-LLVKDONJSA-N 2 2 209.293 0.997 20 0 BCADLP [NH3+]CCC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000237860517 181367973 /nfs/dbraw/zinc/36/79/73/181367973.db2.gz JSCFGVBKSFSJGM-UHFFFAOYSA-N 2 2 232.287 0.342 20 0 BCADLP CCO[C@H]1C[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000573346860 364807475 /nfs/dbraw/zinc/80/74/75/364807475.db2.gz YGMNYBVEHDFZLJ-MNOVXSKESA-N 2 2 238.335 0.753 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]([NH3+])C1CCC1 ZINC000399050293 364750956 /nfs/dbraw/zinc/75/09/56/364750956.db2.gz VAWSJFHMIGZIKN-JTQLQIEISA-N 2 2 222.292 0.496 20 0 BCADLP C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000328461718 364853797 /nfs/dbraw/zinc/85/37/97/364853797.db2.gz HLYZABZBROROIK-IJLUTSLNSA-N 2 2 212.337 0.831 20 0 BCADLP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000328461718 364853799 /nfs/dbraw/zinc/85/37/99/364853799.db2.gz HLYZABZBROROIK-IJLUTSLNSA-N 2 2 212.337 0.831 20 0 BCADLP Cn1c[nH+]cc1CCc1nc(C2([NH3+])CCC2)no1 ZINC000573563494 364861595 /nfs/dbraw/zinc/86/15/95/364861595.db2.gz CTPMGYVPVINETG-UHFFFAOYSA-N 2 2 247.302 0.926 20 0 BCADLP [NH3+]CCCC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000269256522 181372606 /nfs/dbraw/zinc/37/26/06/181372606.db2.gz SVGXATRZVKZHCX-UHFFFAOYSA-N 2 2 236.319 0.575 20 0 BCADLP C[C@@H](CC(=O)N[C@H]1CC[NH2+]C1)n1cc[nH+]c1 ZINC000573817531 364924403 /nfs/dbraw/zinc/92/44/03/364924403.db2.gz OPHRGPDGULUENV-UWVGGRQHSA-N 2 2 222.292 0.312 20 0 BCADLP [NH3+]CCCCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000181033822 181376215 /nfs/dbraw/zinc/37/62/15/181376215.db2.gz LRZFTPXNSVCCOC-UHFFFAOYSA-N 2 2 246.314 0.732 20 0 BCADLP CO[C@@H]1COC[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000574518563 365072199 /nfs/dbraw/zinc/07/21/99/365072199.db2.gz MYTQSUCQZSOGGI-WRWGMCAJSA-N 2 2 228.336 0.473 20 0 BCADLP CO[C@@H]1COC[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000574518563 365072203 /nfs/dbraw/zinc/07/22/03/365072203.db2.gz MYTQSUCQZSOGGI-WRWGMCAJSA-N 2 2 228.336 0.473 20 0 BCADLP CO[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000574518561 365080461 /nfs/dbraw/zinc/08/04/61/365080461.db2.gz MYTQSUCQZSOGGI-IRCOFANPSA-N 2 2 228.336 0.473 20 0 BCADLP CO[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000574518561 365080466 /nfs/dbraw/zinc/08/04/66/365080466.db2.gz MYTQSUCQZSOGGI-IRCOFANPSA-N 2 2 228.336 0.473 20 0 BCADLP C[NH2+][C@@H](C)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000574650500 365113291 /nfs/dbraw/zinc/11/32/91/365113291.db2.gz BEECTLUAAIYYNS-IUCAKERBSA-N 2 2 224.308 0.831 20 0 BCADLP C[NH2+]C1CC[NH+](CCCc2nc(C)no2)CC1 ZINC000574811193 365148743 /nfs/dbraw/zinc/14/87/43/365148743.db2.gz CISFBPRMBRNGBA-UHFFFAOYSA-N 2 2 238.335 0.994 20 0 BCADLP CC[C@@H]1C[N@H+](C)CCN1CCn1cc[nH+]c1 ZINC000575176002 365228706 /nfs/dbraw/zinc/22/87/06/365228706.db2.gz AMEDEECPDSREET-GFCCVEGCSA-N 2 2 222.336 0.909 20 0 BCADLP CC[C@@H]1C[N@@H+](C)CCN1CCn1cc[nH+]c1 ZINC000575176002 365228712 /nfs/dbraw/zinc/22/87/12/365228712.db2.gz AMEDEECPDSREET-GFCCVEGCSA-N 2 2 222.336 0.909 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444176733 193040609 /nfs/dbraw/zinc/04/06/09/193040609.db2.gz QTLLGBIWCIYFPX-WZRBSPASSA-N 2 2 248.330 0.387 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444266034 193043119 /nfs/dbraw/zinc/04/31/19/193043119.db2.gz COHCKPRWHAYGPB-JOYOIKCWSA-N 2 2 234.303 0.334 20 0 BCADLP O=C(NCC[C@H]1CCC[NH2+]1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000444262409 193043736 /nfs/dbraw/zinc/04/37/36/193043736.db2.gz KCXMOBUXYGEBDL-BDAKNGLRSA-N 2 2 247.289 0.242 20 0 BCADLP CNC(=O)C[N@H+](C)CCC[NH+]1CCCCC1 ZINC000444596300 193052393 /nfs/dbraw/zinc/05/23/93/193052393.db2.gz XZSUVMRPLHGIPY-UHFFFAOYSA-N 2 2 227.352 0.540 20 0 BCADLP CNC(=O)C[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000444596300 193052394 /nfs/dbraw/zinc/05/23/94/193052394.db2.gz XZSUVMRPLHGIPY-UHFFFAOYSA-N 2 2 227.352 0.540 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000575393913 365306036 /nfs/dbraw/zinc/30/60/36/365306036.db2.gz DZMKACVOOZIADB-JQWIXIFHSA-N 2 2 248.330 0.482 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000575393913 365306044 /nfs/dbraw/zinc/30/60/44/365306044.db2.gz DZMKACVOOZIADB-JQWIXIFHSA-N 2 2 248.330 0.482 20 0 BCADLP COCc1noc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000575749308 365351946 /nfs/dbraw/zinc/35/19/46/365351946.db2.gz PFLZNXFSWPETKE-BDAKNGLRSA-N 2 2 240.307 0.385 20 0 BCADLP COCc1noc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000575749308 365351949 /nfs/dbraw/zinc/35/19/49/365351949.db2.gz PFLZNXFSWPETKE-BDAKNGLRSA-N 2 2 240.307 0.385 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCOC[C@@]1(C)CC ZINC000575932383 365419648 /nfs/dbraw/zinc/41/96/48/365419648.db2.gz JLCXQPSRARCNRH-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCOC[C@@]1(C)CC ZINC000575932383 365419656 /nfs/dbraw/zinc/41/96/56/365419656.db2.gz JLCXQPSRARCNRH-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCOC[C@@]1(C)CC ZINC000575932383 365419661 /nfs/dbraw/zinc/41/96/61/365419661.db2.gz JLCXQPSRARCNRH-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCOC[C@@]1(C)CC ZINC000575932383 365419668 /nfs/dbraw/zinc/41/96/68/365419668.db2.gz JLCXQPSRARCNRH-QWHCGFSZSA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCOC[C@@]1(C)CC ZINC000575932381 365420845 /nfs/dbraw/zinc/42/08/45/365420845.db2.gz JLCXQPSRARCNRH-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCOC[C@@]1(C)CC ZINC000575932381 365420846 /nfs/dbraw/zinc/42/08/46/365420846.db2.gz JLCXQPSRARCNRH-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCOC[C@@]1(C)CC ZINC000575932381 365420847 /nfs/dbraw/zinc/42/08/47/365420847.db2.gz JLCXQPSRARCNRH-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCOC[C@@]1(C)CC ZINC000575932381 365420848 /nfs/dbraw/zinc/42/08/48/365420848.db2.gz JLCXQPSRARCNRH-CHWSQXEVSA-N 2 2 244.379 0.800 20 0 BCADLP CN(C)C(=O)C(C)(C)[NH2+]CC[NH2+]C(C)(C)C ZINC000576209481 365522034 /nfs/dbraw/zinc/52/20/34/365522034.db2.gz YDDBRHRAXCCPQY-UHFFFAOYSA-N 2 2 229.368 0.831 20 0 BCADLP C[C@H]([NH3+])C[NH+]1CCC(Cn2cncn2)CC1 ZINC000576108642 365490513 /nfs/dbraw/zinc/49/05/13/365490513.db2.gz SMGLLTDEGRCYAG-JTQLQIEISA-N 2 2 223.324 0.337 20 0 BCADLP COC[C@H](C)C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000580805907 367170848 /nfs/dbraw/zinc/17/08/48/367170848.db2.gz MRNYFMAYRMXNRM-SNVBAGLBSA-N 2 2 209.293 0.981 20 0 BCADLP COC[C@H](C)C[N@H+]1CCn2c[nH+]cc2C1 ZINC000580805907 367170854 /nfs/dbraw/zinc/17/08/54/367170854.db2.gz MRNYFMAYRMXNRM-SNVBAGLBSA-N 2 2 209.293 0.981 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000380216539 367156155 /nfs/dbraw/zinc/15/61/55/367156155.db2.gz KEZFVYMMDFXMIF-WPRPVWTQSA-N 2 2 236.319 0.722 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C[NH2+]C1CC1 ZINC000380240219 367159168 /nfs/dbraw/zinc/15/91/68/367159168.db2.gz VFOMABXCKSJGME-UHFFFAOYSA-N 2 2 208.265 0.086 20 0 BCADLP C[C@@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)Cn1cc[nH+]c1 ZINC000581075050 367255035 /nfs/dbraw/zinc/25/50/35/367255035.db2.gz UVKXTZICSJWQAG-LOWVWBTDSA-N 2 2 248.330 0.387 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](CCOC)C1CC1 ZINC000381072050 367346923 /nfs/dbraw/zinc/34/69/23/367346923.db2.gz OQOVVXXIJMWKAB-LBPRGKRZSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](CCOC)C1CC1 ZINC000381072050 367346924 /nfs/dbraw/zinc/34/69/24/367346924.db2.gz OQOVVXXIJMWKAB-LBPRGKRZSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](CCOC)C1CC1 ZINC000381072050 367346927 /nfs/dbraw/zinc/34/69/27/367346927.db2.gz OQOVVXXIJMWKAB-LBPRGKRZSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](CCOC)C1CC1 ZINC000381072050 367346930 /nfs/dbraw/zinc/34/69/30/367346930.db2.gz OQOVVXXIJMWKAB-LBPRGKRZSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCCO1 ZINC000381109797 367351424 /nfs/dbraw/zinc/35/14/24/367351424.db2.gz ZQICARFAXWTTJG-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCCO1 ZINC000381109797 367351427 /nfs/dbraw/zinc/35/14/27/367351427.db2.gz ZQICARFAXWTTJG-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H]1CCCO1 ZINC000381109797 367351429 /nfs/dbraw/zinc/35/14/29/367351429.db2.gz ZQICARFAXWTTJG-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H]1CCCO1 ZINC000381109797 367351431 /nfs/dbraw/zinc/35/14/31/367351431.db2.gz ZQICARFAXWTTJG-RYUDHWBXSA-N 2 2 230.352 0.410 20 0 BCADLP Cn1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000380763435 367299017 /nfs/dbraw/zinc/29/90/17/367299017.db2.gz WTNFWYJMRDGAKD-WDEREUQCSA-N 2 2 220.320 0.461 20 0 BCADLP Cn1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000380763435 367299025 /nfs/dbraw/zinc/29/90/25/367299025.db2.gz WTNFWYJMRDGAKD-WDEREUQCSA-N 2 2 220.320 0.461 20 0 BCADLP Cn1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000380763433 367299534 /nfs/dbraw/zinc/29/95/34/367299534.db2.gz WTNFWYJMRDGAKD-MNOVXSKESA-N 2 2 220.320 0.461 20 0 BCADLP Cn1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000380763433 367299539 /nfs/dbraw/zinc/29/95/39/367299539.db2.gz WTNFWYJMRDGAKD-MNOVXSKESA-N 2 2 220.320 0.461 20 0 BCADLP O=C(Nc1cc[nH+]cc1O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000581248903 367307972 /nfs/dbraw/zinc/30/79/72/367307972.db2.gz IXRFGNINXOFKIT-UFBFGSQYSA-N 2 2 233.271 0.147 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C(C)(C)C ZINC000382101931 367485988 /nfs/dbraw/zinc/48/59/88/367485988.db2.gz IVWVSJIJDHOJBV-LLVKDONJSA-N 2 2 232.368 0.656 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)(C)C ZINC000382101931 367485996 /nfs/dbraw/zinc/48/59/96/367485996.db2.gz IVWVSJIJDHOJBV-LLVKDONJSA-N 2 2 232.368 0.656 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C(C)(C)C ZINC000382101931 367486005 /nfs/dbraw/zinc/48/60/05/367486005.db2.gz IVWVSJIJDHOJBV-LLVKDONJSA-N 2 2 232.368 0.656 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)(C)C ZINC000382101931 367486010 /nfs/dbraw/zinc/48/60/10/367486010.db2.gz IVWVSJIJDHOJBV-LLVKDONJSA-N 2 2 232.368 0.656 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000383115254 367598271 /nfs/dbraw/zinc/59/82/71/367598271.db2.gz FVRGMXQXARNEOT-ZJUUUORDSA-N 2 2 236.319 0.528 20 0 BCADLP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C[C@@H]1CCCO1 ZINC000383496672 367628875 /nfs/dbraw/zinc/62/88/75/367628875.db2.gz DITSTDFQDPSKHM-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C[C@@H](O)C[N@H+](C)CC)C[C@@H]1CCCO1 ZINC000383496672 367628877 /nfs/dbraw/zinc/62/88/77/367628877.db2.gz DITSTDFQDPSKHM-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](CC)C[C@@H]1CCCO1 ZINC000383496672 367628881 /nfs/dbraw/zinc/62/88/81/367628881.db2.gz DITSTDFQDPSKHM-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](CC)C[C@@H]1CCCO1 ZINC000383496672 367628886 /nfs/dbraw/zinc/62/88/86/367628886.db2.gz DITSTDFQDPSKHM-STQMWFEESA-N 2 2 244.379 0.800 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CC(C)(C)C ZINC000383600791 367642223 /nfs/dbraw/zinc/64/22/23/367642223.db2.gz QFFISTZCSSQSQZ-LBPRGKRZSA-N 2 2 246.395 0.903 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CC(C)(C)C ZINC000383600791 367642224 /nfs/dbraw/zinc/64/22/24/367642224.db2.gz QFFISTZCSSQSQZ-LBPRGKRZSA-N 2 2 246.395 0.903 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CC(C)(C)C ZINC000383600791 367642226 /nfs/dbraw/zinc/64/22/26/367642226.db2.gz QFFISTZCSSQSQZ-LBPRGKRZSA-N 2 2 246.395 0.903 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CC(C)(C)C ZINC000383600791 367642228 /nfs/dbraw/zinc/64/22/28/367642228.db2.gz QFFISTZCSSQSQZ-LBPRGKRZSA-N 2 2 246.395 0.903 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCOCC1CC1 ZINC000383718301 367650144 /nfs/dbraw/zinc/65/01/44/367650144.db2.gz XXVZAESIDZJOHN-CYBMUJFWSA-N 2 2 244.379 0.657 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCOCC1CC1 ZINC000383718301 367650147 /nfs/dbraw/zinc/65/01/47/367650147.db2.gz XXVZAESIDZJOHN-CYBMUJFWSA-N 2 2 244.379 0.657 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCOCC1CC1 ZINC000383718301 367650151 /nfs/dbraw/zinc/65/01/51/367650151.db2.gz XXVZAESIDZJOHN-CYBMUJFWSA-N 2 2 244.379 0.657 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCOCC1CC1 ZINC000383718301 367650153 /nfs/dbraw/zinc/65/01/53/367650153.db2.gz XXVZAESIDZJOHN-CYBMUJFWSA-N 2 2 244.379 0.657 20 0 BCADLP C[C@@H]1C[C@H](O)C[N@@H+]1CC[NH2+]C(C)(C)C ZINC000384843840 367741731 /nfs/dbraw/zinc/74/17/31/367741731.db2.gz WLFXYPCJHUVUCD-ZJUUUORDSA-N 2 2 200.326 0.830 20 0 BCADLP C[C@@H]1C[C@H](O)C[N@H+]1CC[NH2+]C(C)(C)C ZINC000384843840 367741733 /nfs/dbraw/zinc/74/17/33/367741733.db2.gz WLFXYPCJHUVUCD-ZJUUUORDSA-N 2 2 200.326 0.830 20 0 BCADLP C[N@H+](CCn1cccn1)C1(C[NH3+])CCC1 ZINC000385237749 367812429 /nfs/dbraw/zinc/81/24/29/367812429.db2.gz ULLLRZCZJSBGEK-UHFFFAOYSA-N 2 2 208.309 0.696 20 0 BCADLP C[N@@H+](CCn1cccn1)C1(C[NH3+])CCC1 ZINC000385237749 367812432 /nfs/dbraw/zinc/81/24/32/367812432.db2.gz ULLLRZCZJSBGEK-UHFFFAOYSA-N 2 2 208.309 0.696 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC(C)(C)O)C1 ZINC000385119123 367795904 /nfs/dbraw/zinc/79/59/04/367795904.db2.gz FGLWOZGPELBZBS-VXGBXAGGSA-N 2 2 244.379 0.846 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(C)(C)O)C1 ZINC000385119123 367795910 /nfs/dbraw/zinc/79/59/10/367795910.db2.gz FGLWOZGPELBZBS-VXGBXAGGSA-N 2 2 244.379 0.846 20 0 BCADLP C[C@@H]([NH2+]CCNC(=O)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000386062272 367907042 /nfs/dbraw/zinc/90/70/42/367907042.db2.gz XONRHFYAZWWBIJ-PWSUYJOCSA-N 2 2 239.363 0.633 20 0 BCADLP C[N@@H+]1CCN(CCC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000087613480 367917128 /nfs/dbraw/zinc/91/71/28/367917128.db2.gz NTHQSCXXAFDIDB-NSHDSACASA-N 2 2 213.369 0.997 20 0 BCADLP C[N@H+]1CCN(CCC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000087613480 367917129 /nfs/dbraw/zinc/91/71/29/367917129.db2.gz NTHQSCXXAFDIDB-NSHDSACASA-N 2 2 213.369 0.997 20 0 BCADLP CN1CC[N@H+](CCC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000087613480 367917131 /nfs/dbraw/zinc/91/71/31/367917131.db2.gz NTHQSCXXAFDIDB-NSHDSACASA-N 2 2 213.369 0.997 20 0 BCADLP CN1CC[N@@H+](CCC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000087613480 367917132 /nfs/dbraw/zinc/91/71/32/367917132.db2.gz NTHQSCXXAFDIDB-NSHDSACASA-N 2 2 213.369 0.997 20 0 BCADLP CC(C)CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613524 367917313 /nfs/dbraw/zinc/91/73/13/367917313.db2.gz GTFUOGSQLZZQOF-JTQLQIEISA-N 2 2 213.325 0.134 20 0 BCADLP CC(C)CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613524 367917317 /nfs/dbraw/zinc/91/73/17/367917317.db2.gz GTFUOGSQLZZQOF-JTQLQIEISA-N 2 2 213.325 0.134 20 0 BCADLP CC[C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613561 367918396 /nfs/dbraw/zinc/91/83/96/367918396.db2.gz JURYBWYOUHFJQX-UWVGGRQHSA-N 2 2 213.325 0.134 20 0 BCADLP CC[C@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613561 367918401 /nfs/dbraw/zinc/91/84/01/367918401.db2.gz JURYBWYOUHFJQX-UWVGGRQHSA-N 2 2 213.325 0.134 20 0 BCADLP CCN(C)C(=O)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386622787 368002736 /nfs/dbraw/zinc/00/27/36/368002736.db2.gz YLDFWIBBGYFBJI-WDEREUQCSA-N 2 2 227.352 0.585 20 0 BCADLP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000386367737 367957119 /nfs/dbraw/zinc/95/71/19/367957119.db2.gz AVNLMSGKPLNJMM-CHWSQXEVSA-N 3 2 243.395 0.685 20 0 BCADLP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000386367738 367957276 /nfs/dbraw/zinc/95/72/76/367957276.db2.gz AVNLMSGKPLNJMM-OLZOCXBDSA-N 3 2 243.395 0.685 20 0 BCADLP CC(C)C(=O)NCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386433390 367970057 /nfs/dbraw/zinc/97/00/57/367970057.db2.gz LRRUKPJEXCATTA-RYUDHWBXSA-N 2 2 241.379 0.879 20 0 BCADLP C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)[C@H]1CCCC[NH2+]1 ZINC000386458410 367977079 /nfs/dbraw/zinc/97/70/79/367977079.db2.gz OXMSGYLECSQJHU-GARJFASQSA-N 2 2 225.336 0.337 20 0 BCADLP C[NH2+]C[C@@](C)(O)C[NH+]1Cc2ccccc2C1 ZINC000566351276 326035957 /nfs/dbraw/zinc/03/59/57/326035957.db2.gz DCURIKAWPNLWDR-CYBMUJFWSA-N 2 2 220.316 0.973 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC=C(COC)CC1 ZINC000566417503 326042471 /nfs/dbraw/zinc/04/24/71/326042471.db2.gz YNKSKKCXYXIUOL-ZDUSSCGKSA-N 2 2 242.363 0.578 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC=C(COC)CC1 ZINC000566417503 326042474 /nfs/dbraw/zinc/04/24/74/326042474.db2.gz YNKSKKCXYXIUOL-ZDUSSCGKSA-N 2 2 242.363 0.578 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC=C(COC)CC1 ZINC000566417503 326042478 /nfs/dbraw/zinc/04/24/78/326042478.db2.gz YNKSKKCXYXIUOL-ZDUSSCGKSA-N 2 2 242.363 0.578 20 0 BCADLP COC[C@]1(C[NH2+]C[C@]2(C)CC[NH2+]C2)CCC[NH2+]1 ZINC000566973633 326098552 /nfs/dbraw/zinc/09/85/52/326098552.db2.gz NAOBZXGHBIBWGI-CHWSQXEVSA-N 3 2 241.379 0.344 20 0 BCADLP Cc1nc(C[N@H+](C)CC2CC[NH2+]CC2)no1 ZINC000086702950 368884180 /nfs/dbraw/zinc/88/41/80/368884180.db2.gz WQAGPJMKRVONJL-UHFFFAOYSA-N 2 2 224.308 0.809 20 0 BCADLP Cc1nc(C[N@@H+](C)CC2CC[NH2+]CC2)no1 ZINC000086702950 368884183 /nfs/dbraw/zinc/88/41/83/368884183.db2.gz WQAGPJMKRVONJL-UHFFFAOYSA-N 2 2 224.308 0.809 20 0 BCADLP [NH3+]C1(C[NH2+][C@H]2CCN(C3CCC3)C2=O)CCC1 ZINC000631824120 368987154 /nfs/dbraw/zinc/98/71/54/368987154.db2.gz WQONOIRYKRYBLK-NSHDSACASA-N 2 2 237.347 0.611 20 0 BCADLP Cc1nccnc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000631826428 368989698 /nfs/dbraw/zinc/98/96/98/368989698.db2.gz MZHXPRCLELCCNC-NWDGAFQWSA-N 2 2 232.331 0.969 20 0 BCADLP Cc1nccnc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000631826428 368989700 /nfs/dbraw/zinc/98/97/00/368989700.db2.gz MZHXPRCLELCCNC-NWDGAFQWSA-N 2 2 232.331 0.969 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)n1C ZINC000623660904 369068722 /nfs/dbraw/zinc/06/87/22/369068722.db2.gz AUPXFTUXYKKZAJ-KYZUINATSA-N 2 2 222.292 0.082 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)C[N@@H+]1C1CC1 ZINC000623663147 369081695 /nfs/dbraw/zinc/08/16/95/369081695.db2.gz ZKZTXFYIMIXBMM-GWOFURMSSA-N 2 2 237.347 0.465 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)C[N@H+]1C1CC1 ZINC000623663147 369081700 /nfs/dbraw/zinc/08/17/00/369081700.db2.gz ZKZTXFYIMIXBMM-GWOFURMSSA-N 2 2 237.347 0.465 20 0 BCADLP C[NH+](C)CC(C)(C)[NH2+]CCN1CCCC1=O ZINC000459539139 203293421 /nfs/dbraw/zinc/29/34/21/203293421.db2.gz PODKHDIUOHTRKE-UHFFFAOYSA-N 2 2 227.352 0.539 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000631857205 369436356 /nfs/dbraw/zinc/43/63/56/369436356.db2.gz DYZFOQHDHLPBBQ-JOYOIKCWSA-N 2 2 233.315 0.707 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000631857205 369436360 /nfs/dbraw/zinc/43/63/60/369436360.db2.gz DYZFOQHDHLPBBQ-JOYOIKCWSA-N 2 2 233.315 0.707 20 0 BCADLP CNC(=O)c1ccc(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000631859286 369468421 /nfs/dbraw/zinc/46/84/21/369468421.db2.gz MCUDKJBWIWGOOO-MFKMUULPSA-N 2 2 247.342 0.968 20 0 BCADLP CNC(=O)c1ccc(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000631859286 369468427 /nfs/dbraw/zinc/46/84/27/369468427.db2.gz MCUDKJBWIWGOOO-MFKMUULPSA-N 2 2 247.342 0.968 20 0 BCADLP CCOC(=O)[C@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000082254418 370974777 /nfs/dbraw/zinc/97/47/77/370974777.db2.gz HKWZVNPEHIISAL-IVZWLZJFSA-N 2 2 212.293 0.089 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCOC1CCOCC1 ZINC000631862286 369513340 /nfs/dbraw/zinc/51/33/40/369513340.db2.gz NUSZGHFCFLYLMM-GHMZBOCLSA-N 2 2 228.336 0.604 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCOC1CCOCC1 ZINC000631862286 369513345 /nfs/dbraw/zinc/51/33/45/369513345.db2.gz NUSZGHFCFLYLMM-GHMZBOCLSA-N 2 2 228.336 0.604 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631000104 369515641 /nfs/dbraw/zinc/51/56/41/369515641.db2.gz AOEFXAJCJLNVFL-VWYCJHECSA-N 2 2 249.318 0.027 20 0 BCADLP CCC[N@H+](C)CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620601164 369950597 /nfs/dbraw/zinc/95/05/97/369950597.db2.gz UYRWYINHZMXQTD-SNVBAGLBSA-N 2 2 238.335 0.939 20 0 BCADLP CCC[N@@H+](C)CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620601164 369950601 /nfs/dbraw/zinc/95/06/01/369950601.db2.gz UYRWYINHZMXQTD-SNVBAGLBSA-N 2 2 238.335 0.939 20 0 BCADLP CC[C@@H](C(=O)N[C@H](C)c1[nH+]ccn1C)[NH+](C)C ZINC000620603236 369951632 /nfs/dbraw/zinc/95/16/32/369951632.db2.gz IUDOWIZLIUIXOT-ZJUUUORDSA-N 2 2 238.335 0.938 20 0 BCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620608441 369956903 /nfs/dbraw/zinc/95/69/03/369956903.db2.gz OEGOLNKHKSFNEF-VIFPVBQESA-N 2 2 247.302 0.802 20 0 BCADLP CC[NH+](CC)CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620594113 369946531 /nfs/dbraw/zinc/94/65/31/369946531.db2.gz BPWWMEUXFMBGSX-SNVBAGLBSA-N 2 2 238.335 0.939 20 0 BCADLP C[C@H]([NH3+])CCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000621242139 370175327 /nfs/dbraw/zinc/17/53/27/370175327.db2.gz XRAQKSXKKSEVIS-UWVGGRQHSA-N 2 2 239.323 0.308 20 0 BCADLP CC(C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[NH2+]1 ZINC000621154827 370126887 /nfs/dbraw/zinc/12/68/87/370126887.db2.gz SXRVZFBKHCXNOA-NSHDSACASA-N 2 2 236.319 0.340 20 0 BCADLP C([NH2+][C@]12CCC[C@@H]1C[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC000631867326 370222352 /nfs/dbraw/zinc/22/23/52/370222352.db2.gz PZMUZRROSMLTBA-UPJWGTAASA-N 3 2 223.364 0.718 20 0 BCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC2(C)C)CC1 ZINC000310257898 370328907 /nfs/dbraw/zinc/32/89/07/370328907.db2.gz FSOOLWZURCHWGK-LLVKDONJSA-N 2 2 239.363 0.539 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCCCC1 ZINC000310349941 370337524 /nfs/dbraw/zinc/33/75/24/370337524.db2.gz GWHXAUYAABUKLT-CYBMUJFWSA-N 2 2 244.379 0.802 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCCCC1 ZINC000310349941 370337529 /nfs/dbraw/zinc/33/75/29/370337529.db2.gz GWHXAUYAABUKLT-CYBMUJFWSA-N 2 2 244.379 0.802 20 0 BCADLP [NH3+][C@]12CCC[C@@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC000621699302 370446465 /nfs/dbraw/zinc/44/64/65/370446465.db2.gz RGIFOKUFQNALIT-YPMHNXCESA-N 2 2 248.330 0.613 20 0 BCADLP [NH3+][C@]12CCC[C@H]1C[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000621778698 370527521 /nfs/dbraw/zinc/52/75/21/370527521.db2.gz UECBRQRDBPBDOR-WOPDTQHZSA-N 3 2 209.337 0.409 20 0 BCADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000621778698 370527525 /nfs/dbraw/zinc/52/75/25/370527525.db2.gz UECBRQRDBPBDOR-WOPDTQHZSA-N 3 2 209.337 0.409 20 0 BCADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCn1cncn1)C2 ZINC000621781950 370529711 /nfs/dbraw/zinc/52/97/11/370529711.db2.gz KJTKJQYDZPNEGO-GHMZBOCLSA-N 2 2 221.308 0.091 20 0 BCADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCn1cncn1)C2 ZINC000621781950 370529715 /nfs/dbraw/zinc/52/97/15/370529715.db2.gz KJTKJQYDZPNEGO-GHMZBOCLSA-N 2 2 221.308 0.091 20 0 BCADLP COCCOCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621782669 370532385 /nfs/dbraw/zinc/53/23/85/370532385.db2.gz RGIQYYPFHZFINX-NEPJUHHUSA-N 2 2 228.336 0.463 20 0 BCADLP COCCOCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621782669 370532388 /nfs/dbraw/zinc/53/23/88/370532388.db2.gz RGIQYYPFHZFINX-NEPJUHHUSA-N 2 2 228.336 0.463 20 0 BCADLP C[NH+](C)C1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000621935714 370609188 /nfs/dbraw/zinc/60/91/88/370609188.db2.gz GCGOSIPWGQXOCW-UHFFFAOYSA-N 2 2 236.319 0.460 20 0 BCADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)[C@H]1C[C@H]1C ZINC000623759375 371084778 /nfs/dbraw/zinc/08/47/78/371084778.db2.gz JZCVBZXSHHAOLS-KXNHARMFSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)[C@H]1C[C@H]1C ZINC000623759375 371084781 /nfs/dbraw/zinc/08/47/81/371084781.db2.gz JZCVBZXSHHAOLS-KXNHARMFSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)[C@@H]1C[C@H]1C ZINC000623759373 371084899 /nfs/dbraw/zinc/08/48/99/371084899.db2.gz JZCVBZXSHHAOLS-DDHJBXDOSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)[C@@H]1C[C@H]1C ZINC000623759373 371084901 /nfs/dbraw/zinc/08/49/01/371084901.db2.gz JZCVBZXSHHAOLS-DDHJBXDOSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000623777393 371089764 /nfs/dbraw/zinc/08/97/64/371089764.db2.gz CQVHABQXDJTQDU-KOLCDFICSA-N 2 2 221.304 0.827 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000623777393 371089770 /nfs/dbraw/zinc/08/97/70/371089770.db2.gz CQVHABQXDJTQDU-KOLCDFICSA-N 2 2 221.304 0.827 20 0 BCADLP CN(C)c1ncc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cn1 ZINC000623785778 371090157 /nfs/dbraw/zinc/09/01/57/371090157.db2.gz JQAPDXXQNKPFNH-LBPRGKRZSA-N 2 2 249.362 0.726 20 0 BCADLP CN(C)c1ncc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cn1 ZINC000623785778 371090160 /nfs/dbraw/zinc/09/01/60/371090160.db2.gz JQAPDXXQNKPFNH-LBPRGKRZSA-N 2 2 249.362 0.726 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000623835962 371119911 /nfs/dbraw/zinc/11/99/11/371119911.db2.gz FGIZNMKRZSEQHK-OLZOCXBDSA-N 2 2 224.348 0.999 20 0 BCADLP O[C@H]1CC[N@@H+](CC[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000623835962 371119915 /nfs/dbraw/zinc/11/99/15/371119915.db2.gz FGIZNMKRZSEQHK-OLZOCXBDSA-N 2 2 224.348 0.999 20 0 BCADLP C[NH2+]Cc1noc([C@@]23CCC[C@@H]2C[NH2+]C3)n1 ZINC000569118183 326391568 /nfs/dbraw/zinc/39/15/68/326391568.db2.gz BVWBZRONCJYYNZ-LDYMZIIASA-N 2 2 222.292 0.430 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000623962607 371199960 /nfs/dbraw/zinc/19/99/60/371199960.db2.gz KHVFXWVWAVFQPV-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000623962607 371199963 /nfs/dbraw/zinc/19/99/63/371199963.db2.gz KHVFXWVWAVFQPV-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP CC1CC([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000624085879 371297669 /nfs/dbraw/zinc/29/76/69/371297669.db2.gz HCZPUZHFLOOFRK-MCIGGMRASA-N 2 2 239.363 0.714 20 0 BCADLP CC1CC([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000624085879 371297673 /nfs/dbraw/zinc/29/76/73/371297673.db2.gz HCZPUZHFLOOFRK-MCIGGMRASA-N 2 2 239.363 0.714 20 0 BCADLP O[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCSCC2)C1 ZINC000624230716 371415909 /nfs/dbraw/zinc/41/59/09/371415909.db2.gz FCNOIGOYOBQDAU-VXGBXAGGSA-N 2 2 244.404 0.928 20 0 BCADLP O[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCSCC2)C1 ZINC000624230716 371415913 /nfs/dbraw/zinc/41/59/13/371415913.db2.gz FCNOIGOYOBQDAU-VXGBXAGGSA-N 2 2 244.404 0.928 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCN2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000624228538 371417707 /nfs/dbraw/zinc/41/77/07/371417707.db2.gz VDJHLJIOBJBOQB-YNEHKIRRSA-N 2 2 241.379 0.125 20 0 BCADLP C[C@H]1C[C@H]([NH2+]CCN2CC[C@@H](O)C2)CC[N@H+]1C ZINC000624228538 371417710 /nfs/dbraw/zinc/41/77/10/371417710.db2.gz VDJHLJIOBJBOQB-YNEHKIRRSA-N 2 2 241.379 0.125 20 0 BCADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)[C@H]1CCCOC1 ZINC000624230177 371418571 /nfs/dbraw/zinc/41/85/71/371418571.db2.gz POHGERXXFXJSAE-FRRDWIJNSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)[C@H]1CCCOC1 ZINC000624230177 371418577 /nfs/dbraw/zinc/41/85/77/371418577.db2.gz POHGERXXFXJSAE-FRRDWIJNSA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H](Cc1ccoc1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624231043 371418719 /nfs/dbraw/zinc/41/87/19/371418719.db2.gz OBVHOEFKVAMYFW-DGCLKSJQSA-N 2 2 238.331 0.867 20 0 BCADLP C[C@H](Cc1ccoc1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624231043 371418723 /nfs/dbraw/zinc/41/87/23/371418723.db2.gz OBVHOEFKVAMYFW-DGCLKSJQSA-N 2 2 238.331 0.867 20 0 BCADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624230744 371418747 /nfs/dbraw/zinc/41/87/47/371418747.db2.gz FTANRMSSLHKKLF-UTUOFQBUSA-N 2 2 212.337 0.831 20 0 BCADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624230744 371418749 /nfs/dbraw/zinc/41/87/49/371418749.db2.gz FTANRMSSLHKKLF-UTUOFQBUSA-N 2 2 212.337 0.831 20 0 BCADLP CC(C)[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624333627 371484847 /nfs/dbraw/zinc/48/48/47/371484847.db2.gz UFCZJRKROALZAV-MNOVXSKESA-N 2 2 200.326 0.687 20 0 BCADLP CC(C)[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624333627 371484849 /nfs/dbraw/zinc/48/48/49/371484849.db2.gz UFCZJRKROALZAV-MNOVXSKESA-N 2 2 200.326 0.687 20 0 BCADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)C1CCOCC1 ZINC000624334593 371485551 /nfs/dbraw/zinc/48/55/51/371485551.db2.gz CTMNZNIBJLVETK-YPMHNXCESA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)C1CCOCC1 ZINC000624334593 371485554 /nfs/dbraw/zinc/48/55/54/371485554.db2.gz CTMNZNIBJLVETK-YPMHNXCESA-N 2 2 242.363 0.458 20 0 BCADLP CC[C@H]1CC[C@H]1[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624338855 371488466 /nfs/dbraw/zinc/48/84/66/371488466.db2.gz FTANRMSSLHKKLF-SDDRHHMPSA-N 2 2 212.337 0.831 20 0 BCADLP CC[C@H]1CC[C@H]1[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624338855 371488471 /nfs/dbraw/zinc/48/84/71/371488471.db2.gz FTANRMSSLHKKLF-SDDRHHMPSA-N 2 2 212.337 0.831 20 0 BCADLP CC1(C)[C@H]([NH2+]CCn2cc[nH+]c2)C[C@@H]1O ZINC000166401894 326432740 /nfs/dbraw/zinc/43/27/40/326432740.db2.gz LODJXCMQYOIBDH-ZJUUUORDSA-N 2 2 209.293 0.632 20 0 BCADLP Nc1[nH+]cnc(N[C@@H]2CCC[NH2+]C2)c1Cl ZINC000333598258 181808719 /nfs/dbraw/zinc/80/87/19/181808719.db2.gz WDGKHDDRJWOJQY-ZCFIWIBFSA-N 2 2 227.699 0.876 20 0 BCADLP CSCCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000162689063 371819023 /nfs/dbraw/zinc/81/90/23/371819023.db2.gz JXVOCJXLPIADLR-JTQLQIEISA-N 2 2 245.392 0.231 20 0 BCADLP CSCCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000162689063 371819030 /nfs/dbraw/zinc/81/90/30/371819030.db2.gz JXVOCJXLPIADLR-JTQLQIEISA-N 2 2 245.392 0.231 20 0 BCADLP Cn1c[nH+]c(CC[NH2+]Cc2ccc(=O)[nH]c2)c1 ZINC000631156306 372211833 /nfs/dbraw/zinc/21/18/33/372211833.db2.gz MEHCBDZENATCMC-UHFFFAOYSA-N 2 2 232.287 0.853 20 0 BCADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H](O)C(F)(F)F ZINC000631716600 372520487 /nfs/dbraw/zinc/52/04/87/372520487.db2.gz CYPPGDVPNJNRDG-VXNVDRBHSA-N 2 2 240.269 0.982 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631831411 372614319 /nfs/dbraw/zinc/61/43/19/372614319.db2.gz CYHNMEJSKGEPRE-MNOVXSKESA-N 2 2 239.363 0.857 20 0 BCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631831411 372614324 /nfs/dbraw/zinc/61/43/24/372614324.db2.gz CYHNMEJSKGEPRE-MNOVXSKESA-N 2 2 239.363 0.857 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCOC[C@@H]1CCCO1 ZINC000631860710 372659186 /nfs/dbraw/zinc/65/91/86/372659186.db2.gz NPVWAQXQHMSVMT-UTUOFQBUSA-N 2 2 228.336 0.604 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCOC[C@@H]1CCCO1 ZINC000631860710 372659191 /nfs/dbraw/zinc/65/91/91/372659191.db2.gz NPVWAQXQHMSVMT-UTUOFQBUSA-N 2 2 228.336 0.604 20 0 BCADLP O=C(Cc1cn2ccccc2[nH+]1)N[C@@H]1CC[NH2+]C1 ZINC000178452067 182059143 /nfs/dbraw/zinc/05/91/43/182059143.db2.gz OSNQGYKNIPUSIA-SNVBAGLBSA-N 2 2 244.298 0.355 20 0 BCADLP O=C(Cn1cc[nH+]c1)NCC[N@H+]1CC=CCC1 ZINC000280326871 182071304 /nfs/dbraw/zinc/07/13/04/182071304.db2.gz VAEIAYBOSPAAGY-UHFFFAOYSA-N 2 2 234.303 0.261 20 0 BCADLP O=C(Cn1cc[nH+]c1)NCC[N@@H+]1CC=CCC1 ZINC000280326871 182071306 /nfs/dbraw/zinc/07/13/06/182071306.db2.gz VAEIAYBOSPAAGY-UHFFFAOYSA-N 2 2 234.303 0.261 20 0 BCADLP O=C(NC1CC1)[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000131583874 182097515 /nfs/dbraw/zinc/09/75/15/182097515.db2.gz KOKOCGGZFPNLJL-LBPRGKRZSA-N 2 2 248.330 0.626 20 0 BCADLP O=C(NC1CC1)[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000131583874 182097517 /nfs/dbraw/zinc/09/75/17/182097517.db2.gz KOKOCGGZFPNLJL-LBPRGKRZSA-N 2 2 248.330 0.626 20 0 BCADLP O=C(NCC[NH+]1CCCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360814812 182184111 /nfs/dbraw/zinc/18/41/11/182184111.db2.gz AIXVRAYKPVLZQM-VIFPVBQESA-N 2 2 247.289 0.196 20 0 BCADLP O=C(NCCNc1cccc[nH+]1)[C@H]1CCC[NH2+]1 ZINC000272376001 182189305 /nfs/dbraw/zinc/18/93/05/182189305.db2.gz VKCJECHLDVPBEZ-SNVBAGLBSA-N 2 2 234.303 0.362 20 0 BCADLP O=C(NCC[C@H]1CC[NH2+]C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368488088 182201639 /nfs/dbraw/zinc/20/16/39/182201639.db2.gz YGZUZKMDXFPTCC-RKDXNWHRSA-N 2 2 247.289 0.099 20 0 BCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279535270 182215100 /nfs/dbraw/zinc/21/51/00/182215100.db2.gz PPBLHIGBWQZMFP-LBPRGKRZSA-N 2 2 248.330 0.626 20 0 BCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000279535270 182215103 /nfs/dbraw/zinc/21/51/03/182215103.db2.gz PPBLHIGBWQZMFP-LBPRGKRZSA-N 2 2 248.330 0.626 20 0 BCADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1CC[NH2+]C1 ZINC000262680040 182264426 /nfs/dbraw/zinc/26/44/26/182264426.db2.gz WJHPMENGUOHFHM-NSHDSACASA-N 2 2 244.298 0.560 20 0 BCADLP C[N@@H+]1CC[C@H]([NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000042544663 374273965 /nfs/dbraw/zinc/27/39/65/374273965.db2.gz MFAMGMVTHSZYBC-LBPRGKRZSA-N 2 2 240.347 0.966 20 0 BCADLP C[N@H+]1CC[C@H]([NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000042544663 374273972 /nfs/dbraw/zinc/27/39/72/374273972.db2.gz MFAMGMVTHSZYBC-LBPRGKRZSA-N 2 2 240.347 0.966 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279037089 182273251 /nfs/dbraw/zinc/27/32/51/182273251.db2.gz OBAKOLJRMXUDMB-JTQLQIEISA-N 2 2 234.303 0.653 20 0 BCADLP O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000279037089 182273252 /nfs/dbraw/zinc/27/32/52/182273252.db2.gz OBAKOLJRMXUDMB-JTQLQIEISA-N 2 2 234.303 0.653 20 0 BCADLP C[C@H](C(N)=O)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246738102 374293374 /nfs/dbraw/zinc/29/33/74/374293374.db2.gz FEMOGENPPBLSPT-ZJUUUORDSA-N 2 2 213.325 0.134 20 0 BCADLP C[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246738102 374293381 /nfs/dbraw/zinc/29/33/81/374293381.db2.gz FEMOGENPPBLSPT-ZJUUUORDSA-N 2 2 213.325 0.134 20 0 BCADLP C[C@H](C(N)=O)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246738102 374293386 /nfs/dbraw/zinc/29/33/86/374293386.db2.gz FEMOGENPPBLSPT-ZJUUUORDSA-N 2 2 213.325 0.134 20 0 BCADLP C[C@H](C(N)=O)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246738102 374293391 /nfs/dbraw/zinc/29/33/91/374293391.db2.gz FEMOGENPPBLSPT-ZJUUUORDSA-N 2 2 213.325 0.134 20 0 BCADLP O=C(NCc1c[nH+]c[nH]1)c1ccc2c[nH+]cn2c1 ZINC000339954482 182269924 /nfs/dbraw/zinc/26/99/24/182269924.db2.gz CAFDJCLLOUFBSM-UHFFFAOYSA-N 2 2 241.254 0.987 20 0 BCADLP O=C(NCc1c[nH]c[nH+]1)c1ccc2c[nH+]cn2c1 ZINC000339954482 182269926 /nfs/dbraw/zinc/26/99/26/182269926.db2.gz CAFDJCLLOUFBSM-UHFFFAOYSA-N 2 2 241.254 0.987 20 0 BCADLP O=C(N[C@@H]1CC[NH2+]C1)c1ccc2[nH+]ccn2c1 ZINC000178455816 182304575 /nfs/dbraw/zinc/30/45/75/182304575.db2.gz YLEVXADITMDBAY-SNVBAGLBSA-N 2 2 230.271 0.426 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)COC)[C@@H](C)C1 ZINC000308500525 170037128 /nfs/dbraw/zinc/03/71/28/170037128.db2.gz GGQCAVLAUSZRAK-AXFHLTTASA-N 2 2 200.326 0.951 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)COC)[C@@H](C)C1 ZINC000308500525 170037129 /nfs/dbraw/zinc/03/71/29/170037129.db2.gz GGQCAVLAUSZRAK-AXFHLTTASA-N 2 2 200.326 0.951 20 0 BCADLP O=C1CC[N@H+](CCn2cc[nH+]c2)CCN1 ZINC000328675471 183026405 /nfs/dbraw/zinc/02/64/05/183026405.db2.gz QVJMGMRSUUCOFK-UHFFFAOYSA-N 2 2 208.265 0.545 20 0 BCADLP O=C1CC[N@@H+](CCn2cc[nH+]c2)CCN1 ZINC000328675471 183026408 /nfs/dbraw/zinc/02/64/08/183026408.db2.gz QVJMGMRSUUCOFK-UHFFFAOYSA-N 2 2 208.265 0.545 20 0 BCADLP OCCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000369341256 183055407 /nfs/dbraw/zinc/05/54/07/183055407.db2.gz CPXOYHYJCIOCLJ-UHFFFAOYSA-N 2 2 209.293 0.972 20 0 BCADLP OCC[N@H+](CCn1cc[nH+]c1)Cc1cccnc1 ZINC000270904480 183067887 /nfs/dbraw/zinc/06/78/87/183067887.db2.gz RQVIMWHNNLAOTN-UHFFFAOYSA-N 2 2 246.314 0.773 20 0 BCADLP OCC[N@@H+](CCn1cc[nH+]c1)Cc1cccnc1 ZINC000270904480 183067888 /nfs/dbraw/zinc/06/78/88/183067888.db2.gz RQVIMWHNNLAOTN-UHFFFAOYSA-N 2 2 246.314 0.773 20 0 BCADLP OC[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000049752076 183115707 /nfs/dbraw/zinc/11/57/07/183115707.db2.gz AWZGDPHRCZKYIZ-NSHDSACASA-N 2 2 209.293 0.730 20 0 BCADLP OC[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000049752076 183115709 /nfs/dbraw/zinc/11/57/09/183115709.db2.gz AWZGDPHRCZKYIZ-NSHDSACASA-N 2 2 209.293 0.730 20 0 BCADLP OC[C@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000309571159 183139920 /nfs/dbraw/zinc/13/99/20/183139920.db2.gz MXGXSYRGSXVCMW-QWRGUYRKSA-N 2 2 225.292 0.013 20 0 BCADLP OC[C@H]([NH2+]CCn1cc[nH+]c1)C1CCOCC1 ZINC000359873696 183140149 /nfs/dbraw/zinc/14/01/49/183140149.db2.gz KOBPHGFHLAYRRH-LBPRGKRZSA-N 2 2 239.319 0.260 20 0 BCADLP O[C@@H](C[NH2+]Cc1ccco1)C[NH+]1CCCC1 ZINC000037859649 183179906 /nfs/dbraw/zinc/17/99/06/183179906.db2.gz RRCMPFGAYFZBJZ-NSHDSACASA-N 2 2 224.304 0.826 20 0 BCADLP O[C@@H](C[NH2+]Cc1cccnc1)C[NH+]1CCCC1 ZINC000037859691 183179910 /nfs/dbraw/zinc/17/99/10/183179910.db2.gz LCPQYRYBIRLWJS-ZDUSSCGKSA-N 2 2 235.331 0.628 20 0 BCADLP CCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000106423719 169068747 /nfs/dbraw/zinc/06/87/47/169068747.db2.gz PKAFVVIGIATZCO-UHFFFAOYSA-N 2 2 213.325 0.102 20 0 BCADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000106423719 169068750 /nfs/dbraw/zinc/06/87/50/169068750.db2.gz PKAFVVIGIATZCO-UHFFFAOYSA-N 2 2 213.325 0.102 20 0 BCADLP O[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000151919639 183197862 /nfs/dbraw/zinc/19/78/62/183197862.db2.gz TYHHRVKMMOCCEN-GFCCVEGCSA-N 2 2 244.298 0.834 20 0 BCADLP O[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000151919639 183197864 /nfs/dbraw/zinc/19/78/64/183197864.db2.gz TYHHRVKMMOCCEN-GFCCVEGCSA-N 2 2 244.298 0.834 20 0 BCADLP CCC[N@H+](C)CC(=O)NCc1[nH]c[nH+]c1C ZINC000331104713 169072500 /nfs/dbraw/zinc/07/25/00/169072500.db2.gz QGMBBXVKCHPYGB-UHFFFAOYSA-N 2 2 224.308 0.676 20 0 BCADLP CCC[N@@H+](C)CC(=O)NCc1[nH]c[nH+]c1C ZINC000331104713 169072506 /nfs/dbraw/zinc/07/25/06/169072506.db2.gz QGMBBXVKCHPYGB-UHFFFAOYSA-N 2 2 224.308 0.676 20 0 BCADLP CCC[N@H+](C)CC(=O)NCc1[nH]cc[nH+]1 ZINC000330916916 169074429 /nfs/dbraw/zinc/07/44/29/169074429.db2.gz VQERSVDXCLSTFV-UHFFFAOYSA-N 2 2 210.281 0.368 20 0 BCADLP CCC[N@@H+](C)CC(=O)NCc1[nH]cc[nH+]1 ZINC000330916916 169074430 /nfs/dbraw/zinc/07/44/30/169074430.db2.gz VQERSVDXCLSTFV-UHFFFAOYSA-N 2 2 210.281 0.368 20 0 BCADLP O[C@]1(C[NH2+]Cc2cccc3[nH+]ccn32)CCOC1 ZINC000179431017 183251334 /nfs/dbraw/zinc/25/13/34/183251334.db2.gz MSTWMDIYORPHTK-ZDUSSCGKSA-N 2 2 247.298 0.575 20 0 BCADLP CCC[N@H+](CCOCC[NH3+])CC(F)F ZINC000336772260 169168788 /nfs/dbraw/zinc/16/87/88/169168788.db2.gz XYZANWCGFDXCAU-UHFFFAOYSA-N 2 2 210.268 0.939 20 0 BCADLP CCC[N@@H+](CCOCC[NH3+])CC(F)F ZINC000336772260 169168789 /nfs/dbraw/zinc/16/87/89/169168789.db2.gz XYZANWCGFDXCAU-UHFFFAOYSA-N 2 2 210.268 0.939 20 0 BCADLP c1c[nH+]c(CN2CC[NH+]([C@H]3CCOC3)CC2)[nH]1 ZINC000336720908 183324422 /nfs/dbraw/zinc/32/44/22/183324422.db2.gz YOTDLLWAOHREMG-NSHDSACASA-N 2 2 236.319 0.316 20 0 BCADLP c1c[nH+]c(CN2CC[NH+](CC3CC3)CC2)[nH]1 ZINC000171919030 183325137 /nfs/dbraw/zinc/32/51/37/183325137.db2.gz RRKFDRIMSAWMAJ-UHFFFAOYSA-N 2 2 220.320 0.937 20 0 BCADLP CCC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000069327487 169203704 /nfs/dbraw/zinc/20/37/04/169203704.db2.gz MUHYOEKZCLNMFB-UHFFFAOYSA-N 2 2 222.336 0.948 20 0 BCADLP c1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)n[nH]1 ZINC000335607360 183353572 /nfs/dbraw/zinc/35/35/72/183353572.db2.gz WJDHQVNQUGLYDG-MRVPVSSYSA-N 2 2 217.276 0.780 20 0 BCADLP CCCNC(=O)CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336779870 169217709 /nfs/dbraw/zinc/21/77/09/169217709.db2.gz PQXBAHYHPODSMA-QWRGUYRKSA-N 2 2 227.352 0.442 20 0 BCADLP CCCNC(=O)CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336779870 169217711 /nfs/dbraw/zinc/21/77/11/169217711.db2.gz PQXBAHYHPODSMA-QWRGUYRKSA-N 2 2 227.352 0.442 20 0 BCADLP CCCNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123434106 169218910 /nfs/dbraw/zinc/21/89/10/169218910.db2.gz FJZTYWDGWOZZCJ-NEPJUHHUSA-N 2 2 241.379 0.927 20 0 BCADLP CCCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123434106 169218911 /nfs/dbraw/zinc/21/89/11/169218911.db2.gz FJZTYWDGWOZZCJ-NEPJUHHUSA-N 2 2 241.379 0.927 20 0 BCADLP CCCNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123434106 169218914 /nfs/dbraw/zinc/21/89/14/169218914.db2.gz FJZTYWDGWOZZCJ-NEPJUHHUSA-N 2 2 241.379 0.927 20 0 BCADLP CCCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123434106 169218915 /nfs/dbraw/zinc/21/89/15/169218915.db2.gz FJZTYWDGWOZZCJ-NEPJUHHUSA-N 2 2 241.379 0.927 20 0 BCADLP CCCNC(=O)C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040598770 169220218 /nfs/dbraw/zinc/22/02/18/169220218.db2.gz CHONJGJPHROUHB-LLVKDONJSA-N 2 2 227.352 0.444 20 0 BCADLP CCCNC(=O)C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040598770 169220220 /nfs/dbraw/zinc/22/02/20/169220220.db2.gz CHONJGJPHROUHB-LLVKDONJSA-N 2 2 227.352 0.444 20 0 BCADLP CCCNC(=O)[C@@H](C)[NH+]1CCC([NH3+])CC1 ZINC000026514090 169241508 /nfs/dbraw/zinc/24/15/08/169241508.db2.gz UGIVAOVCDKZMQO-SECBINFHSA-N 2 2 213.325 0.324 20 0 BCADLP COCC[N@H+](C)CC[NH2+]C[C@H]1CCSC1 ZINC000224418753 134347346 /nfs/dbraw/zinc/34/73/46/134347346.db2.gz GKTAXHDPJHFIQZ-LLVKDONJSA-N 2 2 232.393 0.907 20 0 BCADLP COCC[N@@H+](C)CC[NH2+]C[C@H]1CCSC1 ZINC000224418753 134347347 /nfs/dbraw/zinc/34/73/47/134347347.db2.gz GKTAXHDPJHFIQZ-LLVKDONJSA-N 2 2 232.393 0.907 20 0 BCADLP C[N@@H+]1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)[C@@H](C[NH3+])C1 ZINC000250401177 259640386 /nfs/dbraw/zinc/64/03/86/259640386.db2.gz SRNWAHJSXSGOEL-NNYUYHANSA-N 2 2 237.347 0.134 20 0 BCADLP C[N@H+]1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)[C@@H](C[NH3+])C1 ZINC000250401177 259640387 /nfs/dbraw/zinc/64/03/87/259640387.db2.gz SRNWAHJSXSGOEL-NNYUYHANSA-N 2 2 237.347 0.134 20 0 BCADLP CO[C@@H](C[NH2+]C[C@H]1C[N@H+](C)CCN1C)C1CC1 ZINC000400179406 383824517 /nfs/dbraw/zinc/82/45/17/383824517.db2.gz QPGNISLIZZNAGB-STQMWFEESA-N 2 2 241.379 0.247 20 0 BCADLP CO[C@@H](C[NH2+]C[C@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC000400179406 383824525 /nfs/dbraw/zinc/82/45/25/383824525.db2.gz QPGNISLIZZNAGB-STQMWFEESA-N 2 2 241.379 0.247 20 0 BCADLP C[NH2+]CC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000647098478 383831941 /nfs/dbraw/zinc/83/19/41/383831941.db2.gz QJKCWZQNLRSSGU-UHFFFAOYSA-N 2 2 246.314 0.521 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+]Cc1ccn(C)n1 ZINC000112344714 383919362 /nfs/dbraw/zinc/91/93/62/383919362.db2.gz VASJLRUMCRSNJZ-UHFFFAOYSA-N 2 2 219.292 0.715 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000089090926 383932812 /nfs/dbraw/zinc/93/28/12/383932812.db2.gz RFOGVXOAQIBNRV-QWRGUYRKSA-N 2 2 236.319 0.517 20 0 BCADLP CC[C@H](O)[C@H](CC)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000313159154 383972796 /nfs/dbraw/zinc/97/27/96/383972796.db2.gz OXYZPSMLVBYIAF-VOAKCMCISA-N 2 2 244.379 0.893 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000518565761 384015175 /nfs/dbraw/zinc/01/51/75/384015175.db2.gz LKYRUSRGHCMGDA-VXGBXAGGSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CCOC1 ZINC000132118046 384089966 /nfs/dbraw/zinc/08/99/66/384089966.db2.gz CPQJEYDHWHKBRW-QWRGUYRKSA-N 2 2 209.293 0.898 20 0 BCADLP C[NH+](C)CC(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374336276 384058415 /nfs/dbraw/zinc/05/84/15/384058415.db2.gz DIOUTLCLOBOOJQ-LBPRGKRZSA-N 2 2 248.330 0.116 20 0 BCADLP COC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000050047772 384102866 /nfs/dbraw/zinc/10/28/66/384102866.db2.gz LLZPXHHNUZWFBM-UHFFFAOYSA-N 2 2 211.265 0.378 20 0 BCADLP COC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000050047772 384102871 /nfs/dbraw/zinc/10/28/71/384102871.db2.gz LLZPXHHNUZWFBM-UHFFFAOYSA-N 2 2 211.265 0.378 20 0 BCADLP CC[N@@H+](CCC(=O)OC)CCn1cc[nH+]c1 ZINC000050053811 384105391 /nfs/dbraw/zinc/10/53/91/384105391.db2.gz MYAPNYAOZAEIEV-UHFFFAOYSA-N 2 2 225.292 0.768 20 0 BCADLP CC[N@H+](CCC(=O)OC)CCn1cc[nH+]c1 ZINC000050053811 384105392 /nfs/dbraw/zinc/10/53/92/384105392.db2.gz MYAPNYAOZAEIEV-UHFFFAOYSA-N 2 2 225.292 0.768 20 0 BCADLP CC[N@H+](CC[NH3+])CCC(=O)Nc1cc(C)on1 ZINC000302307918 384135590 /nfs/dbraw/zinc/13/55/90/384135590.db2.gz AWKBZSBVMANJKI-UHFFFAOYSA-N 2 2 240.307 0.592 20 0 BCADLP CC[N@@H+](CC[NH3+])CCC(=O)Nc1cc(C)on1 ZINC000302307918 384135593 /nfs/dbraw/zinc/13/55/93/384135593.db2.gz AWKBZSBVMANJKI-UHFFFAOYSA-N 2 2 240.307 0.592 20 0 BCADLP [NH3+][C@@H]1CCC[C@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000070577754 384122743 /nfs/dbraw/zinc/12/27/43/384122743.db2.gz NIOABXZROXNSIW-WDEREUQCSA-N 2 2 236.319 0.517 20 0 BCADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH+](C)C ZINC000293914585 384126359 /nfs/dbraw/zinc/12/63/59/384126359.db2.gz SCMSFQLQHAGMBS-JTQLQIEISA-N 2 2 238.335 0.656 20 0 BCADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH+](C)C ZINC000293914585 384126360 /nfs/dbraw/zinc/12/63/60/384126360.db2.gz SCMSFQLQHAGMBS-JTQLQIEISA-N 2 2 238.335 0.656 20 0 BCADLP CC[C@H](COC)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449388432 384148804 /nfs/dbraw/zinc/14/88/04/384148804.db2.gz PDHOUCHNZGAJPH-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP CC[C@H](COC)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449388432 384148812 /nfs/dbraw/zinc/14/88/12/384148812.db2.gz PDHOUCHNZGAJPH-OLZOCXBDSA-N 2 2 244.379 0.848 20 0 BCADLP COC1CC([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000449387625 384139966 /nfs/dbraw/zinc/13/99/66/384139966.db2.gz MGNDOGGFHHQNDY-CPCZMJQVSA-N 2 2 242.363 0.600 20 0 BCADLP COC1CC([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000449387625 384139973 /nfs/dbraw/zinc/13/99/73/384139973.db2.gz MGNDOGGFHHQNDY-CPCZMJQVSA-N 2 2 242.363 0.600 20 0 BCADLP CC(C)[C@H]([NH3+])c1cn(Cc2c[nH+]cn2C)nn1 ZINC000302438016 384175477 /nfs/dbraw/zinc/17/54/77/384175477.db2.gz WDUOSERGWCOLFH-NSHDSACASA-N 2 2 234.307 0.716 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000071276072 384158890 /nfs/dbraw/zinc/15/88/90/384158890.db2.gz WVRFFHWMFSHJBO-UWVGGRQHSA-N 2 2 236.319 0.554 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000071276070 384159351 /nfs/dbraw/zinc/15/93/51/384159351.db2.gz WVRFFHWMFSHJBO-ZJUUUORDSA-N 2 2 236.319 0.554 20 0 BCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCOC1 ZINC000449395770 384167698 /nfs/dbraw/zinc/16/76/98/384167698.db2.gz QVAOCTOPAMUJOD-NWDGAFQWSA-N 2 2 228.336 0.212 20 0 BCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCOC1 ZINC000449395770 384167702 /nfs/dbraw/zinc/16/77/02/384167702.db2.gz QVAOCTOPAMUJOD-NWDGAFQWSA-N 2 2 228.336 0.212 20 0 BCADLP Cn1cnc2cc(C[N@H+](C)CC[NH3+])ccc21 ZINC000082597464 384240772 /nfs/dbraw/zinc/24/07/72/384240772.db2.gz ZQXRKFIGJWCXDE-UHFFFAOYSA-N 2 2 218.304 0.964 20 0 BCADLP Cn1cnc2cc(C[N@@H+](C)CC[NH3+])ccc21 ZINC000082597464 384240778 /nfs/dbraw/zinc/24/07/78/384240778.db2.gz ZQXRKFIGJWCXDE-UHFFFAOYSA-N 2 2 218.304 0.964 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)Cn1cc[nH+]c1 ZINC000558645086 384229235 /nfs/dbraw/zinc/22/92/35/384229235.db2.gz VPCRLLFKHHNSOP-UHFFFAOYSA-N 2 2 216.244 0.647 20 0 BCADLP Cc1noc(C)c1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000228721937 384312787 /nfs/dbraw/zinc/31/27/87/384312787.db2.gz ZVXQSJDFZXGNJD-GFCCVEGCSA-N 2 2 241.335 0.694 20 0 BCADLP COC(=O)CCC[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000300048148 384285657 /nfs/dbraw/zinc/28/56/57/384285657.db2.gz HWMHSIKBXHHSDJ-RKDXNWHRSA-N 2 2 200.282 0.219 20 0 BCADLP COC(=O)CCC[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000300048148 384285665 /nfs/dbraw/zinc/28/56/65/384285665.db2.gz HWMHSIKBXHHSDJ-RKDXNWHRSA-N 2 2 200.282 0.219 20 0 BCADLP COC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C(C)C ZINC000083397983 384294887 /nfs/dbraw/zinc/29/48/87/384294887.db2.gz CXKSPUVQIQEAPO-GHMZBOCLSA-N 2 2 200.326 0.999 20 0 BCADLP C[C@@H](C[NH+](C)C)NCc1c[nH+]c(N(C)C)n1C ZINC000168710346 384303023 /nfs/dbraw/zinc/30/30/23/384303023.db2.gz GBMWEFIQGXSWNC-JTQLQIEISA-N 2 2 239.367 0.526 20 0 BCADLP CC(C)(C[NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000044751552 384354834 /nfs/dbraw/zinc/35/48/34/384354834.db2.gz FDBQTACAQXONQX-UHFFFAOYSA-N 2 2 224.308 0.374 20 0 BCADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH2+]C2)c2[nH+]ccn21 ZINC000584243348 384327797 /nfs/dbraw/zinc/32/77/97/384327797.db2.gz XOFFKFCZSAMEGB-UTLUCORTSA-N 2 2 249.318 0.550 20 0 BCADLP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)nn1C ZINC000647508336 384328349 /nfs/dbraw/zinc/32/83/49/384328349.db2.gz LESAPGVXITUTLZ-GHMZBOCLSA-N 2 2 222.336 0.898 20 0 BCADLP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)nn1C ZINC000647508336 384328355 /nfs/dbraw/zinc/32/83/55/384328355.db2.gz LESAPGVXITUTLZ-GHMZBOCLSA-N 2 2 222.336 0.898 20 0 BCADLP Cc1c(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)cnn1C ZINC000335642762 384417964 /nfs/dbraw/zinc/41/79/64/384417964.db2.gz IIWWWWUTWZKBFP-SKDRFNHKSA-N 2 2 222.336 0.959 20 0 BCADLP Cn1c[nH+]cc1CC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405481092 384378114 /nfs/dbraw/zinc/37/81/14/384378114.db2.gz NBVUVACIIJHTDN-WDEREUQCSA-N 3 2 222.336 0.678 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000560996687 384438699 /nfs/dbraw/zinc/43/86/99/384438699.db2.gz GSRMHOXYFZYOEU-JTQLQIEISA-N 2 2 234.303 0.685 20 0 BCADLP CC[C@H]([NH3+])C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000036999447 384466470 /nfs/dbraw/zinc/46/64/70/384466470.db2.gz CEUWCCDKYXCEHR-IUCAKERBSA-N 2 2 210.281 0.125 20 0 BCADLP C[C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])Cn1cc[nH+]c1 ZINC000249061761 384475855 /nfs/dbraw/zinc/47/58/55/384475855.db2.gz PGYBTHAQZFBGMK-VWYCJHECSA-N 2 2 238.335 0.619 20 0 BCADLP COc1ncncc1C[NH2+]CCn1cc[nH+]c1C ZINC000647177222 384501717 /nfs/dbraw/zinc/50/17/17/384501717.db2.gz QHWGVYXEXNZRMJ-UHFFFAOYSA-N 2 2 247.302 0.780 20 0 BCADLP CC(C)[C@@H]1C(=O)NCC[N@H+]1CCn1cc[nH+]c1 ZINC000161597503 384507159 /nfs/dbraw/zinc/50/71/59/384507159.db2.gz CDVHEVSXAJLKDY-LLVKDONJSA-N 2 2 236.319 0.340 20 0 BCADLP CC(C)[C@@H]1C(=O)NCC[N@@H+]1CCn1cc[nH+]c1 ZINC000161597503 384507163 /nfs/dbraw/zinc/50/71/63/384507163.db2.gz CDVHEVSXAJLKDY-LLVKDONJSA-N 2 2 236.319 0.340 20 0 BCADLP COC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397343502 384533942 /nfs/dbraw/zinc/53/39/42/384533942.db2.gz WVVZAQYKXPNVKZ-BBBLOLIVSA-N 2 2 214.309 0.465 20 0 BCADLP COC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397343502 384533949 /nfs/dbraw/zinc/53/39/49/384533949.db2.gz WVVZAQYKXPNVKZ-BBBLOLIVSA-N 2 2 214.309 0.465 20 0 BCADLP Cc1nc(N(C)C[C@@H]2CCC[N@@H+]2C)nc(N)[nH+]1 ZINC000302657437 384545351 /nfs/dbraw/zinc/54/53/51/384545351.db2.gz XELAARCLLQXGGQ-VIFPVBQESA-N 2 2 236.323 0.293 20 0 BCADLP Cc1nc(N(C)C[C@@H]2CCC[N@H+]2C)nc(N)[nH+]1 ZINC000302657437 384545357 /nfs/dbraw/zinc/54/53/57/384545357.db2.gz XELAARCLLQXGGQ-VIFPVBQESA-N 2 2 236.323 0.293 20 0 BCADLP O=C1[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CCN1C1CC1 ZINC000428033316 384559461 /nfs/dbraw/zinc/55/94/61/384559461.db2.gz QTAJGOVRVVCXQC-CYZMBNFOSA-N 2 2 249.358 0.434 20 0 BCADLP O=C1[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CCN1C1CC1 ZINC000428033316 384559468 /nfs/dbraw/zinc/55/94/68/384559468.db2.gz QTAJGOVRVVCXQC-CYZMBNFOSA-N 2 2 249.358 0.434 20 0 BCADLP CC[N@H+](CC(=O)N1CC(n2cc[nH+]c2)C1)C1CC1 ZINC000533548790 384540029 /nfs/dbraw/zinc/54/00/29/384540029.db2.gz OCDWJFCFUSIJJU-UHFFFAOYSA-N 2 2 248.330 0.751 20 0 BCADLP CC[N@@H+](CC(=O)N1CC(n2cc[nH+]c2)C1)C1CC1 ZINC000533548790 384540038 /nfs/dbraw/zinc/54/00/38/384540038.db2.gz OCDWJFCFUSIJJU-UHFFFAOYSA-N 2 2 248.330 0.751 20 0 BCADLP CNC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151142544 384541638 /nfs/dbraw/zinc/54/16/38/384541638.db2.gz KKFYNZNQZAPXCG-LBPRGKRZSA-N 2 2 239.363 0.683 20 0 BCADLP CNC(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151142544 384541643 /nfs/dbraw/zinc/54/16/43/384541643.db2.gz KKFYNZNQZAPXCG-LBPRGKRZSA-N 2 2 239.363 0.683 20 0 BCADLP CN1CC[C@@H]([N@@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000116280940 384584998 /nfs/dbraw/zinc/58/49/98/384584998.db2.gz BVGMTMBDLPCJPS-GHMZBOCLSA-N 2 2 225.336 0.101 20 0 BCADLP CN1CC[C@@H]([N@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000116280940 384585002 /nfs/dbraw/zinc/58/50/02/384585002.db2.gz BVGMTMBDLPCJPS-GHMZBOCLSA-N 2 2 225.336 0.101 20 0 BCADLP Cc1cnc(C[NH2+]CCn2cc[nH+]c2)n1C ZINC000309720965 384563883 /nfs/dbraw/zinc/56/38/83/384563883.db2.gz VYULKXKKZKFOSE-UHFFFAOYSA-N 2 2 219.292 0.715 20 0 BCADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccco1 ZINC000037890657 384626172 /nfs/dbraw/zinc/62/61/72/384626172.db2.gz RUCBMYHIAGWWLV-UWVGGRQHSA-N 2 2 212.293 0.853 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647532784 384639502 /nfs/dbraw/zinc/63/95/02/384639502.db2.gz DGPLWJLBTDQAHT-GHMZBOCLSA-N 2 2 220.320 0.604 20 0 BCADLP C[C@@H]([NH3+])CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000258713525 384643474 /nfs/dbraw/zinc/64/34/74/384643474.db2.gz STPKMFYBESUCML-SECBINFHSA-N 2 2 237.307 0.072 20 0 BCADLP C[C@@H]([NH3+])CNc1cc(N2CCCC2)[nH+]cn1 ZINC000258742667 384654506 /nfs/dbraw/zinc/65/45/06/384654506.db2.gz WHYIRKWSYZCPQY-SECBINFHSA-N 2 2 221.308 0.836 20 0 BCADLP C[C@H]([NH3+])CNc1cc(N2CCCC2)[nH+]cn1 ZINC000258742672 384654759 /nfs/dbraw/zinc/65/47/59/384654759.db2.gz WHYIRKWSYZCPQY-VIFPVBQESA-N 2 2 221.308 0.836 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]CC(C)(C)COC ZINC000309838777 384655620 /nfs/dbraw/zinc/65/56/20/384655620.db2.gz CAAFZLHNTVUPIM-UHFFFAOYSA-N 2 2 232.368 0.563 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]CC(C)(C)COC ZINC000309838777 384655625 /nfs/dbraw/zinc/65/56/25/384655625.db2.gz CAAFZLHNTVUPIM-UHFFFAOYSA-N 2 2 232.368 0.563 20 0 BCADLP Cn1cncc1C[NH2+]CCCn1cc[nH+]c1 ZINC000082393780 384678943 /nfs/dbraw/zinc/67/89/43/384678943.db2.gz JJLOONHETYEIMC-UHFFFAOYSA-N 2 2 219.292 0.797 20 0 BCADLP O=C([C@H]1CC[NH2+]1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000444186706 384685008 /nfs/dbraw/zinc/68/50/08/384685008.db2.gz RETIEXZRDPUZTM-SNVBAGLBSA-N 2 2 234.303 0.478 20 0 BCADLP O=C([C@H]1CC[NH2+]1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000444186706 384685011 /nfs/dbraw/zinc/68/50/11/384685011.db2.gz RETIEXZRDPUZTM-SNVBAGLBSA-N 2 2 234.303 0.478 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)COC(C)C ZINC000309906091 384712662 /nfs/dbraw/zinc/71/26/62/384712662.db2.gz KHRUCSRVMPTUKG-LBPRGKRZSA-N 2 2 232.368 0.704 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)COC(C)C ZINC000309906091 384712669 /nfs/dbraw/zinc/71/26/69/384712669.db2.gz KHRUCSRVMPTUKG-LBPRGKRZSA-N 2 2 232.368 0.704 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H](C)COC(C)C ZINC000309906090 384713054 /nfs/dbraw/zinc/71/30/54/384713054.db2.gz KHRUCSRVMPTUKG-GFCCVEGCSA-N 2 2 232.368 0.704 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)COC(C)C ZINC000309906090 384713058 /nfs/dbraw/zinc/71/30/58/384713058.db2.gz KHRUCSRVMPTUKG-GFCCVEGCSA-N 2 2 232.368 0.704 20 0 BCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cncs1 ZINC000125891214 384717929 /nfs/dbraw/zinc/71/79/29/384717929.db2.gz ORZXNJFHSJQADH-JTQLQIEISA-N 2 2 229.349 0.545 20 0 BCADLP CCOC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164398257 384732731 /nfs/dbraw/zinc/73/27/31/384732731.db2.gz CUEHAEAHMCWFLD-AXFHLTTASA-N 2 2 226.320 0.609 20 0 BCADLP CCOC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164398257 384732736 /nfs/dbraw/zinc/73/27/36/384732736.db2.gz CUEHAEAHMCWFLD-AXFHLTTASA-N 2 2 226.320 0.609 20 0 BCADLP Cc1cc(NC(=O)NCCC[NH3+])c(C)c[nH+]1 ZINC000556977233 384732940 /nfs/dbraw/zinc/73/29/40/384732940.db2.gz AXHPUMKLQQVHDS-UHFFFAOYSA-N 2 2 222.292 0.591 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325663 384750534 /nfs/dbraw/zinc/75/05/34/384750534.db2.gz FDNMYSUQXVVNIC-HRDYMLBCSA-N 2 2 200.282 0.075 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325663 384750541 /nfs/dbraw/zinc/75/05/41/384750541.db2.gz FDNMYSUQXVVNIC-HRDYMLBCSA-N 2 2 200.282 0.075 20 0 BCADLP C[C@@]1([NH2+]CCCn2cc[nH+]c2)CCOC1=O ZINC000289582040 384755280 /nfs/dbraw/zinc/75/52/80/384755280.db2.gz PDKVPGLTINRBKB-LLVKDONJSA-N 2 2 223.276 0.568 20 0 BCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cccnc1 ZINC000125908253 384758521 /nfs/dbraw/zinc/75/85/21/384758521.db2.gz MZJCSCKVBHSINS-GFCCVEGCSA-N 2 2 223.320 0.484 20 0 BCADLP Cn1c[nH+]c(CC[NH2+]CCCc2cnn(C)c2)c1 ZINC000314016899 384759650 /nfs/dbraw/zinc/75/96/50/384759650.db2.gz ROGWUHIAZXKGFX-UHFFFAOYSA-N 2 2 247.346 0.919 20 0 BCADLP C[NH+]1CCC(NCC[N@H+]2CC=CCC2)CC1 ZINC000309990289 384762407 /nfs/dbraw/zinc/76/24/07/384762407.db2.gz ZVXAMNCOIPKNFE-UHFFFAOYSA-N 2 2 223.364 0.932 20 0 BCADLP C[NH+]1CCC(NCC[N@@H+]2CC=CCC2)CC1 ZINC000309990289 384762414 /nfs/dbraw/zinc/76/24/14/384762414.db2.gz ZVXAMNCOIPKNFE-UHFFFAOYSA-N 2 2 223.364 0.932 20 0 BCADLP CC[C@H](CCO)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000308577594 384820544 /nfs/dbraw/zinc/82/05/44/384820544.db2.gz FCSNRZYRHWPUGT-GMTAPVOTSA-N 2 2 200.326 0.687 20 0 BCADLP CC[C@H](CCO)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000308577594 384820554 /nfs/dbraw/zinc/82/05/54/384820554.db2.gz FCSNRZYRHWPUGT-GMTAPVOTSA-N 2 2 200.326 0.687 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000126952365 384824919 /nfs/dbraw/zinc/82/49/19/384824919.db2.gz XJDJBUXBMDRNEB-XHNCKOQMSA-N 2 2 200.282 0.217 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000126952365 384824923 /nfs/dbraw/zinc/82/49/23/384824923.db2.gz XJDJBUXBMDRNEB-XHNCKOQMSA-N 2 2 200.282 0.217 20 0 BCADLP Cc1ccc2[nH+]c(CNC(=O)[C@H](C)[NH3+])cn2c1 ZINC000083909203 384815291 /nfs/dbraw/zinc/81/52/91/384815291.db2.gz QLFGIBHREFXREO-VIFPVBQESA-N 2 2 232.287 0.606 20 0 BCADLP C[NH2+]CC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000083913452 384815310 /nfs/dbraw/zinc/81/53/10/384815310.db2.gz HXFLYECSIMDQSD-LLVKDONJSA-N 2 2 248.330 0.386 20 0 BCADLP CCCC[C@@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000305956480 384879523 /nfs/dbraw/zinc/87/95/23/384879523.db2.gz DRMSBEHBUBSLAQ-NEPJUHHUSA-N 2 2 241.379 0.914 20 0 BCADLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCC[NH2+]1 ZINC000423379338 384848622 /nfs/dbraw/zinc/84/86/22/384848622.db2.gz XEXITHFQPPIKLN-WHOHXGKFSA-N 3 2 211.353 0.986 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCO)C1 ZINC000536465259 384855756 /nfs/dbraw/zinc/85/57/56/384855756.db2.gz YSPPRDIICMHXBD-SNVBAGLBSA-N 2 2 209.293 0.592 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCCO)C1 ZINC000536465259 384855772 /nfs/dbraw/zinc/85/57/72/384855772.db2.gz YSPPRDIICMHXBD-SNVBAGLBSA-N 2 2 209.293 0.592 20 0 BCADLP Fc1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000258984123 384956493 /nfs/dbraw/zinc/95/64/93/384956493.db2.gz UXVALDUJTYNXGQ-GFCCVEGCSA-N 2 2 224.279 0.904 20 0 BCADLP OC1(C[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)CCC1 ZINC000644556697 384958504 /nfs/dbraw/zinc/95/85/04/384958504.db2.gz LXFPFRYKEJLZGI-GFCCVEGCSA-N 2 2 224.348 0.975 20 0 BCADLP OC1(C[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)CCC1 ZINC000644556697 384958511 /nfs/dbraw/zinc/95/85/11/384958511.db2.gz LXFPFRYKEJLZGI-GFCCVEGCSA-N 2 2 224.348 0.975 20 0 BCADLP Cn1cnnc1[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000156640275 384903613 /nfs/dbraw/zinc/90/36/13/384903613.db2.gz VIAIPYIZJHRXGP-LLVKDONJSA-N 2 2 246.318 0.849 20 0 BCADLP Cn1cnnc1[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000156640275 384903621 /nfs/dbraw/zinc/90/36/21/384903621.db2.gz VIAIPYIZJHRXGP-LLVKDONJSA-N 2 2 246.318 0.849 20 0 BCADLP CC(C)C[C@@H]([NH3+])c1noc([C@H]2C[NH2+]CCO2)n1 ZINC000647129991 384909792 /nfs/dbraw/zinc/90/97/92/384909792.db2.gz USRWMAWSGSGXNS-RKDXNWHRSA-N 2 2 240.307 0.776 20 0 BCADLP CCCCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000310244467 384920168 /nfs/dbraw/zinc/92/01/68/384920168.db2.gz JHDHQMYPLUTEQS-NWDGAFQWSA-N 2 2 239.363 0.444 20 0 BCADLP CCCCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000310244467 384920171 /nfs/dbraw/zinc/92/01/71/384920171.db2.gz JHDHQMYPLUTEQS-NWDGAFQWSA-N 2 2 239.363 0.444 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)CO1 ZINC000647203518 384923631 /nfs/dbraw/zinc/92/36/31/384923631.db2.gz IIHDJSQQNYTGKO-VWYCJHECSA-N 2 2 221.304 0.965 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000257771575 384929770 /nfs/dbraw/zinc/92/97/70/384929770.db2.gz CTJGRTAFXXCYPU-NSHDSACASA-N 2 2 227.352 0.442 20 0 BCADLP C[NH2+]CCC[N@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000257771575 384929781 /nfs/dbraw/zinc/92/97/81/384929781.db2.gz CTJGRTAFXXCYPU-NSHDSACASA-N 2 2 227.352 0.442 20 0 BCADLP C[C@@H]([NH3+])C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000037008445 384986922 /nfs/dbraw/zinc/98/69/22/384986922.db2.gz LSDFQHSKMVWGDB-SNVBAGLBSA-N 2 2 248.330 0.514 20 0 BCADLP Cc1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)sn1 ZINC000404456097 385002612 /nfs/dbraw/zinc/00/26/12/385002612.db2.gz PMGALSFOPCCKDF-NSHDSACASA-N 2 2 243.376 0.854 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)C1CC1 ZINC000339528173 385013939 /nfs/dbraw/zinc/01/39/39/385013939.db2.gz HEJDTBHATLZORO-MVWJERBFSA-N 2 2 212.337 0.951 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)C1CC1 ZINC000339528173 385013946 /nfs/dbraw/zinc/01/39/46/385013946.db2.gz HEJDTBHATLZORO-MVWJERBFSA-N 2 2 212.337 0.951 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C1CC1 ZINC000339528177 385014174 /nfs/dbraw/zinc/01/41/74/385014174.db2.gz HEJDTBHATLZORO-YUSALJHKSA-N 2 2 212.337 0.951 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C1CC1 ZINC000339528177 385014180 /nfs/dbraw/zinc/01/41/80/385014180.db2.gz HEJDTBHATLZORO-YUSALJHKSA-N 2 2 212.337 0.951 20 0 BCADLP CO[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@H]1C)C1CC1 ZINC000339528165 385015023 /nfs/dbraw/zinc/01/50/23/385015023.db2.gz HEJDTBHATLZORO-ADEWGFFLSA-N 2 2 212.337 0.951 20 0 BCADLP CO[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C1CC1 ZINC000339528165 385015028 /nfs/dbraw/zinc/01/50/28/385015028.db2.gz HEJDTBHATLZORO-ADEWGFFLSA-N 2 2 212.337 0.951 20 0 BCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000646917061 385057685 /nfs/dbraw/zinc/05/76/85/385057685.db2.gz WKHLLVBLRHAPJR-CMPLNLGQSA-N 2 2 248.330 0.125 20 0 BCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000646917061 385057686 /nfs/dbraw/zinc/05/76/86/385057686.db2.gz WKHLLVBLRHAPJR-CMPLNLGQSA-N 2 2 248.330 0.125 20 0 BCADLP C[C@@H](C[NH+](C)C)[NH2+]CC[C@H]1CCOC1 ZINC000308749595 385064839 /nfs/dbraw/zinc/06/48/39/385064839.db2.gz SXWQXRJVQVOYFM-QWRGUYRKSA-N 2 2 200.326 0.953 20 0 BCADLP Cc1noc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000226927351 385072913 /nfs/dbraw/zinc/07/29/13/385072913.db2.gz VGOVBHPIGXAUAA-WCBMZHEXSA-N 2 2 224.308 0.937 20 0 BCADLP Cc1noc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000226927351 385072920 /nfs/dbraw/zinc/07/29/20/385072920.db2.gz VGOVBHPIGXAUAA-WCBMZHEXSA-N 2 2 224.308 0.937 20 0 BCADLP C[NH2+][C@H]1CCC[N@H+](CCn2cccn2)C1 ZINC000053204606 385073173 /nfs/dbraw/zinc/07/31/73/385073173.db2.gz HAGWVUQDVLAUKI-NSHDSACASA-N 2 2 208.309 0.567 20 0 BCADLP C[NH2+][C@H]1CCC[N@@H+](CCn2cccn2)C1 ZINC000053204606 385073180 /nfs/dbraw/zinc/07/31/80/385073180.db2.gz HAGWVUQDVLAUKI-NSHDSACASA-N 2 2 208.309 0.567 20 0 BCADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423544878 385024916 /nfs/dbraw/zinc/02/49/16/385024916.db2.gz CNDPEMSJDMQECJ-WOPDTQHZSA-N 2 2 212.337 0.999 20 0 BCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)[NH+](C)C ZINC000647459879 385043699 /nfs/dbraw/zinc/04/36/99/385043699.db2.gz WEHDTCVZKKMYTQ-WDEREUQCSA-N 2 2 227.352 0.489 20 0 BCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)[NH+](C)C ZINC000647459879 385043710 /nfs/dbraw/zinc/04/37/10/385043710.db2.gz WEHDTCVZKKMYTQ-WDEREUQCSA-N 2 2 227.352 0.489 20 0 BCADLP CO[C@@H](C[NH3+])C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000227358359 385122699 /nfs/dbraw/zinc/12/26/99/385122699.db2.gz MZAVARGYRNFPFN-NSHDSACASA-N 2 2 248.286 0.784 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC[C@H]1CO)C1CC1 ZINC000310518248 385102589 /nfs/dbraw/zinc/10/25/89/385102589.db2.gz SKNSJOPPIYBTPC-QWHCGFSZSA-N 2 2 242.363 0.288 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC[C@H]1CO)C1CC1 ZINC000310518248 385102591 /nfs/dbraw/zinc/10/25/91/385102591.db2.gz SKNSJOPPIYBTPC-QWHCGFSZSA-N 2 2 242.363 0.288 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCCC[C@H]1CO)C1CC1 ZINC000310518248 385102595 /nfs/dbraw/zinc/10/25/95/385102595.db2.gz SKNSJOPPIYBTPC-QWHCGFSZSA-N 2 2 242.363 0.288 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+]1CCCC[C@H]1CO)C1CC1 ZINC000310518248 385102598 /nfs/dbraw/zinc/10/25/98/385102598.db2.gz SKNSJOPPIYBTPC-QWHCGFSZSA-N 2 2 242.363 0.288 20 0 BCADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157308388 385145114 /nfs/dbraw/zinc/14/51/14/385145114.db2.gz GUXVJMUNMDZMRU-RYUDHWBXSA-N 2 2 239.363 0.811 20 0 BCADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157308388 385145124 /nfs/dbraw/zinc/14/51/24/385145124.db2.gz GUXVJMUNMDZMRU-RYUDHWBXSA-N 2 2 239.363 0.811 20 0 BCADLP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)Cn1cc[nH+]c1 ZINC000165585584 385148057 /nfs/dbraw/zinc/14/80/57/385148057.db2.gz IKRBXLFKVPZUMO-QWRGUYRKSA-N 2 2 236.319 0.387 20 0 BCADLP Cn1c[nH+]cc1CN1CCO[C@H](C[NH+](C)C)C1 ZINC000177059060 385175020 /nfs/dbraw/zinc/17/50/20/385175020.db2.gz LFAXWTBYZOYDSZ-GFCCVEGCSA-N 2 2 238.335 0.183 20 0 BCADLP CC(C)[C@H]1C[NH2+]CCN1CC[NH+]1CCOCC1 ZINC000062620445 385178600 /nfs/dbraw/zinc/17/86/00/385178600.db2.gz FVLJVYWZTAVVRV-CYBMUJFWSA-N 2 2 241.379 0.248 20 0 BCADLP CN1CCC[C@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000107801913 385213428 /nfs/dbraw/zinc/21/34/28/385213428.db2.gz NAHAPTSGXSTWGV-LBPRGKRZSA-N 2 2 211.353 0.764 20 0 BCADLP CN(C)C(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000130370100 385243748 /nfs/dbraw/zinc/24/37/48/385243748.db2.gz DQSJAFMEGDPLDW-UHFFFAOYSA-N 2 2 224.308 0.293 20 0 BCADLP CN(C)C(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000130370100 385243754 /nfs/dbraw/zinc/24/37/54/385243754.db2.gz DQSJAFMEGDPLDW-UHFFFAOYSA-N 2 2 224.308 0.293 20 0 BCADLP Cn1ncc2c1nc[nH+]c2NCCC[NH+](C)C ZINC000033544320 385247138 /nfs/dbraw/zinc/24/71/38/385247138.db2.gz UXOWRTWSBILNPC-UHFFFAOYSA-N 2 2 234.307 0.727 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1COCC1(C)C ZINC000313063763 385317751 /nfs/dbraw/zinc/31/77/51/385317751.db2.gz KTMHATJZCCJMQF-IJLUTSLNSA-N 2 2 242.363 0.768 20 0 BCADLP Cc1[nH+]ccn1CCN1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000644730558 385259263 /nfs/dbraw/zinc/25/92/63/385259263.db2.gz APKBQDTUDYFSMC-STQMWFEESA-N 2 2 234.347 0.827 20 0 BCADLP Cc1[nH+]ccn1CCN1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000644730558 385259267 /nfs/dbraw/zinc/25/92/67/385259267.db2.gz APKBQDTUDYFSMC-STQMWFEESA-N 2 2 234.347 0.827 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]2CN(C)C[C@@H]21 ZINC000644730558 385259271 /nfs/dbraw/zinc/25/92/71/385259271.db2.gz APKBQDTUDYFSMC-STQMWFEESA-N 2 2 234.347 0.827 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]2CN(C)C[C@@H]21 ZINC000644730558 385259278 /nfs/dbraw/zinc/25/92/78/385259278.db2.gz APKBQDTUDYFSMC-STQMWFEESA-N 2 2 234.347 0.827 20 0 BCADLP C[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1[nH]cc[nH+]1 ZINC000330364054 385264463 /nfs/dbraw/zinc/26/44/63/385264463.db2.gz COYIDTUTTJATSV-ONGXEEELSA-N 2 2 224.308 0.127 20 0 BCADLP C[C@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1[nH]cc[nH+]1 ZINC000330364054 385264470 /nfs/dbraw/zinc/26/44/70/385264470.db2.gz COYIDTUTTJATSV-ONGXEEELSA-N 2 2 224.308 0.127 20 0 BCADLP COC[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)OC ZINC000308904087 385276854 /nfs/dbraw/zinc/27/68/54/385276854.db2.gz CBPFIWVYMCXVSH-OUAUKWLOSA-N 2 2 216.325 0.188 20 0 BCADLP COC[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)OC ZINC000308904087 385276858 /nfs/dbraw/zinc/27/68/58/385276858.db2.gz CBPFIWVYMCXVSH-OUAUKWLOSA-N 2 2 216.325 0.188 20 0 BCADLP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)nn1C ZINC000647490303 385282508 /nfs/dbraw/zinc/28/25/08/385282508.db2.gz LPQROUARAFALST-JTQLQIEISA-N 2 2 208.309 0.509 20 0 BCADLP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)nn1C ZINC000647490303 385282510 /nfs/dbraw/zinc/28/25/10/385282510.db2.gz LPQROUARAFALST-JTQLQIEISA-N 2 2 208.309 0.509 20 0 BCADLP Cc1cn[nH]c1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647492789 385298652 /nfs/dbraw/zinc/29/86/52/385298652.db2.gz ZLJZWIMHMYUFTC-UHFFFAOYSA-N 2 2 237.351 0.055 20 0 BCADLP Cc1cn[nH]c1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647492789 385298656 /nfs/dbraw/zinc/29/86/56/385298656.db2.gz ZLJZWIMHMYUFTC-UHFFFAOYSA-N 2 2 237.351 0.055 20 0 BCADLP Cc1c[nH]nc1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647492789 385298658 /nfs/dbraw/zinc/29/86/58/385298658.db2.gz ZLJZWIMHMYUFTC-UHFFFAOYSA-N 2 2 237.351 0.055 20 0 BCADLP Cc1c[nH]nc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647492789 385298663 /nfs/dbraw/zinc/29/86/63/385298663.db2.gz ZLJZWIMHMYUFTC-UHFFFAOYSA-N 2 2 237.351 0.055 20 0 BCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCn2cncn2)[C@@H]1C ZINC000316800870 385329975 /nfs/dbraw/zinc/32/99/75/385329975.db2.gz HFOTYJRANAIMCP-UTUOFQBUSA-N 2 2 237.351 0.726 20 0 BCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCn2cncn2)[C@@H]1C ZINC000316800870 385329980 /nfs/dbraw/zinc/32/99/80/385329980.db2.gz HFOTYJRANAIMCP-UTUOFQBUSA-N 2 2 237.351 0.726 20 0 BCADLP CC[NH+](CC)CC[NH2+][C@@H](C)CC(=O)NC ZINC000309045008 385388784 /nfs/dbraw/zinc/38/87/84/385388784.db2.gz NYBSGQBMUDPCHY-JTQLQIEISA-N 2 2 215.341 0.442 20 0 BCADLP CCN(C)C(=O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000158123456 385348900 /nfs/dbraw/zinc/34/89/00/385348900.db2.gz VNHWARYJPWMUGC-MNOVXSKESA-N 2 2 227.352 0.537 20 0 BCADLP CCN(C)C(=O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158123456 385348905 /nfs/dbraw/zinc/34/89/05/385348905.db2.gz VNHWARYJPWMUGC-MNOVXSKESA-N 2 2 227.352 0.537 20 0 BCADLP C[NH+](C)C/C=C/C(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000364332873 385360439 /nfs/dbraw/zinc/36/04/39/385360439.db2.gz ZBHMEJKSDBIWHS-PGLGOXFNSA-N 2 2 248.330 0.432 20 0 BCADLP Nc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000131809589 385362693 /nfs/dbraw/zinc/36/26/93/385362693.db2.gz LBNMGQMIXCKHRB-QMMMGPOBSA-N 2 2 220.276 0.602 20 0 BCADLP C[C@@H](O)C[N@@H+]1CCN(Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000192813539 385371800 /nfs/dbraw/zinc/37/18/00/385371800.db2.gz UXBZIDWOULEUIS-GHMZBOCLSA-N 2 2 238.335 0.297 20 0 BCADLP C[C@@H](O)C[N@H+]1CCN(Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000192813539 385371803 /nfs/dbraw/zinc/37/18/03/385371803.db2.gz UXBZIDWOULEUIS-GHMZBOCLSA-N 2 2 238.335 0.297 20 0 BCADLP COC(=O)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000169074540 385404238 /nfs/dbraw/zinc/40/42/38/385404238.db2.gz ONHJOOZROUCVAJ-MNOVXSKESA-N 2 2 226.320 0.766 20 0 BCADLP COC(=O)CCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000169074540 385404242 /nfs/dbraw/zinc/40/42/42/385404242.db2.gz ONHJOOZROUCVAJ-MNOVXSKESA-N 2 2 226.320 0.766 20 0 BCADLP c1cn(CC[N@@H+]2CCOC[C@]23CCOC3)c[nH+]1 ZINC000193668812 385406063 /nfs/dbraw/zinc/40/60/63/385406063.db2.gz DVTRCAQKLXODBH-GFCCVEGCSA-N 2 2 237.303 0.374 20 0 BCADLP c1cn(CC[N@H+]2CCOC[C@]23CCOC3)c[nH+]1 ZINC000193668812 385406069 /nfs/dbraw/zinc/40/60/69/385406069.db2.gz DVTRCAQKLXODBH-GFCCVEGCSA-N 2 2 237.303 0.374 20 0 BCADLP CC(C)[C@H]([NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178800930 385419108 /nfs/dbraw/zinc/41/91/08/385419108.db2.gz FHKCQQMGVMGOEE-LBPRGKRZSA-N 2 2 246.314 0.934 20 0 BCADLP C[C@H](C[NH3+])N(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000179190964 385450330 /nfs/dbraw/zinc/45/03/30/385450330.db2.gz QZUNRQNIGRPVOZ-SECBINFHSA-N 2 2 232.287 0.754 20 0 BCADLP C[NH2+][C@H]1CCC[N@H+](CCC(=O)N(C)C)C1 ZINC000053204587 385456090 /nfs/dbraw/zinc/45/60/90/385456090.db2.gz QRKMLCIALQUCQG-JTQLQIEISA-N 2 2 213.325 0.149 20 0 BCADLP C[NH2+][C@H]1CCC[N@@H+](CCC(=O)N(C)C)C1 ZINC000053204587 385456092 /nfs/dbraw/zinc/45/60/92/385456092.db2.gz QRKMLCIALQUCQG-JTQLQIEISA-N 2 2 213.325 0.149 20 0 BCADLP C[C@@]1(O)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182819551 385479885 /nfs/dbraw/zinc/47/98/85/385479885.db2.gz OYUMNKZYRMCACU-LLVKDONJSA-N 2 2 209.293 0.730 20 0 BCADLP C[C@@]1(O)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182819551 385479888 /nfs/dbraw/zinc/47/98/88/385479888.db2.gz OYUMNKZYRMCACU-LLVKDONJSA-N 2 2 209.293 0.730 20 0 BCADLP CCC1(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)COC1 ZINC000309241481 385495468 /nfs/dbraw/zinc/49/54/68/385495468.db2.gz YKMCSBDEKALMLV-GHMZBOCLSA-N 2 2 212.337 0.953 20 0 BCADLP CCC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)COC1 ZINC000309241481 385495469 /nfs/dbraw/zinc/49/54/69/385495469.db2.gz YKMCSBDEKALMLV-GHMZBOCLSA-N 2 2 212.337 0.953 20 0 BCADLP CCC1(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)COC1 ZINC000309241482 385495591 /nfs/dbraw/zinc/49/55/91/385495591.db2.gz YKMCSBDEKALMLV-MNOVXSKESA-N 2 2 212.337 0.953 20 0 BCADLP CCC1(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)COC1 ZINC000309241482 385495595 /nfs/dbraw/zinc/49/55/95/385495595.db2.gz YKMCSBDEKALMLV-MNOVXSKESA-N 2 2 212.337 0.953 20 0 BCADLP CC(C)C(=O)NCC[N@H+](C)CCn1cc[nH+]c1 ZINC000157361191 385498181 /nfs/dbraw/zinc/49/81/81/385498181.db2.gz YXHLOXCVVMLOPP-UHFFFAOYSA-N 2 2 238.335 0.587 20 0 BCADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000171579753 385498218 /nfs/dbraw/zinc/49/82/18/385498218.db2.gz FHTGURCJTCYXBR-LLVKDONJSA-N 2 2 222.336 0.946 20 0 BCADLP CC(C)C(=O)NCC[N@@H+](C)CCn1cc[nH+]c1 ZINC000157361191 385498183 /nfs/dbraw/zinc/49/81/83/385498183.db2.gz YXHLOXCVVMLOPP-UHFFFAOYSA-N 2 2 238.335 0.587 20 0 BCADLP C[NH+](C)CC1(NCc2[nH]cc[nH+]2)CCC1 ZINC000282164890 385514151 /nfs/dbraw/zinc/51/41/51/385514151.db2.gz ITNIAZHSFHNDHV-UHFFFAOYSA-N 2 2 208.309 0.984 20 0 BCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C[NH+](C)C ZINC000334289555 385533444 /nfs/dbraw/zinc/53/34/44/385533444.db2.gz KCHULCDITCFVAE-NXEZZACHSA-N 2 2 213.325 0.099 20 0 BCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C[NH+](C)C ZINC000334289555 385533449 /nfs/dbraw/zinc/53/34/49/385533449.db2.gz KCHULCDITCFVAE-NXEZZACHSA-N 2 2 213.325 0.099 20 0 BCADLP Cc1nc(N2CC[N@@H+]3CCOC[C@@H]3C2)cc[nH+]1 ZINC000364879228 385534654 /nfs/dbraw/zinc/53/46/54/385534654.db2.gz CPLIUGKERBROGL-NSHDSACASA-N 2 2 234.303 0.306 20 0 BCADLP Cc1nc(N2CC[N@H+]3CCOC[C@@H]3C2)cc[nH+]1 ZINC000364879228 385534660 /nfs/dbraw/zinc/53/46/60/385534660.db2.gz CPLIUGKERBROGL-NSHDSACASA-N 2 2 234.303 0.306 20 0 BCADLP CC(C)[C@H](C(=O)NCCn1cc[nH+]c1)[NH+](C)C ZINC000106906605 385538588 /nfs/dbraw/zinc/53/85/88/385538588.db2.gz ANYMJRNIRGZGHD-LLVKDONJSA-N 2 2 238.335 0.586 20 0 BCADLP Cc1noc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000228205887 385538889 /nfs/dbraw/zinc/53/88/89/385538889.db2.gz CLHUPXHZCQRRCE-CBAPKCEASA-N 2 2 210.281 0.547 20 0 BCADLP Cc1noc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000228205887 385538894 /nfs/dbraw/zinc/53/88/94/385538894.db2.gz CLHUPXHZCQRRCE-CBAPKCEASA-N 2 2 210.281 0.547 20 0 BCADLP CC[N@H+](CCC(=O)OC)CCc1c[nH+]cn1C ZINC000297963514 385548961 /nfs/dbraw/zinc/54/89/61/385548961.db2.gz WRKTYFFFQDOQES-UHFFFAOYSA-N 2 2 239.319 0.848 20 0 BCADLP CC[N@@H+](CCC(=O)OC)CCc1c[nH+]cn1C ZINC000297963514 385548967 /nfs/dbraw/zinc/54/89/67/385548967.db2.gz WRKTYFFFQDOQES-UHFFFAOYSA-N 2 2 239.319 0.848 20 0 BCADLP Cc1nc(N2CC[C@H]3CC[NH2+][C@@H]3C2)cc[nH+]1 ZINC000643030814 385526864 /nfs/dbraw/zinc/52/68/64/385526864.db2.gz AQWIFOZIUYUTJT-GHMZBOCLSA-N 2 2 218.304 0.973 20 0 BCADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCOC1=O ZINC000181059131 385560889 /nfs/dbraw/zinc/56/08/89/385560889.db2.gz GUJVPUBZLRQOLW-JTQLQIEISA-N 2 2 223.276 0.521 20 0 BCADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCOC1=O ZINC000181059131 385560890 /nfs/dbraw/zinc/56/08/90/385560890.db2.gz GUJVPUBZLRQOLW-JTQLQIEISA-N 2 2 223.276 0.521 20 0 BCADLP COC(=O)[C@@H](C)[N@H+](C)CCn1cc[nH+]c1C ZINC000280796460 385604445 /nfs/dbraw/zinc/60/44/45/385604445.db2.gz ROENOAMDJUTCKU-SECBINFHSA-N 2 2 225.292 0.685 20 0 BCADLP COC(=O)[C@@H](C)[N@@H+](C)CCn1cc[nH+]c1C ZINC000280796460 385604451 /nfs/dbraw/zinc/60/44/51/385604451.db2.gz ROENOAMDJUTCKU-SECBINFHSA-N 2 2 225.292 0.685 20 0 BCADLP CC[C@](C)(O)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336650465 385604940 /nfs/dbraw/zinc/60/49/40/385604940.db2.gz IQHFAFCQEUGRMY-MXWKQRLJSA-N 2 2 200.326 0.687 20 0 BCADLP CC[C@](C)(O)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336650465 385604945 /nfs/dbraw/zinc/60/49/45/385604945.db2.gz IQHFAFCQEUGRMY-MXWKQRLJSA-N 2 2 200.326 0.687 20 0 BCADLP CC(C)[NH+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493644636 385588776 /nfs/dbraw/zinc/58/87/76/385588776.db2.gz NUOZCJPYWFIXHP-ONEGZZNKSA-N 2 2 248.330 0.976 20 0 BCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[NH2+]C[C@@H]1C ZINC000493777283 385617651 /nfs/dbraw/zinc/61/76/51/385617651.db2.gz ALCHXVIICPBIJJ-ZWNMCFTASA-N 2 2 248.330 0.737 20 0 BCADLP CC[N@H+](CC(=O)NCc1[nH]c[nH+]c1C)C1CC1 ZINC000269656216 385621258 /nfs/dbraw/zinc/62/12/58/385621258.db2.gz DFVPJSVLHOUTBK-UHFFFAOYSA-N 2 2 236.319 0.819 20 0 BCADLP CC[N@@H+](CC(=O)NCc1[nH]c[nH+]c1C)C1CC1 ZINC000269656216 385621266 /nfs/dbraw/zinc/62/12/66/385621266.db2.gz DFVPJSVLHOUTBK-UHFFFAOYSA-N 2 2 236.319 0.819 20 0 BCADLP C[C@H](CNCc1[nH]cc[nH+]1)[N@H+](C)C1CC1 ZINC000066594042 385622855 /nfs/dbraw/zinc/62/28/55/385622855.db2.gz MVVOHHVLSHIVTG-SECBINFHSA-N 2 2 208.309 0.982 20 0 BCADLP C[C@H](CNCc1[nH]cc[nH+]1)[N@@H+](C)C1CC1 ZINC000066594042 385622859 /nfs/dbraw/zinc/62/28/59/385622859.db2.gz MVVOHHVLSHIVTG-SECBINFHSA-N 2 2 208.309 0.982 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCCS(C)(=O)=O)C1 ZINC000082645526 385627227 /nfs/dbraw/zinc/62/72/27/385627227.db2.gz VEVWMAYOXYJYQG-QWRGUYRKSA-N 2 2 248.392 0.480 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCCS(C)(=O)=O)C1 ZINC000082645526 385627232 /nfs/dbraw/zinc/62/72/32/385627232.db2.gz VEVWMAYOXYJYQG-QWRGUYRKSA-N 2 2 248.392 0.480 20 0 BCADLP C[C@]1(C(N)=O)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000280812483 385607535 /nfs/dbraw/zinc/60/75/35/385607535.db2.gz UBLSJLHWHGBRDB-NSHDSACASA-N 2 2 222.292 0.080 20 0 BCADLP C[C@]1(C(N)=O)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000280812483 385607539 /nfs/dbraw/zinc/60/75/39/385607539.db2.gz UBLSJLHWHGBRDB-NSHDSACASA-N 2 2 222.292 0.080 20 0 BCADLP Cn1c[nH+]cc1C[NH2+]Cc1ncccc1O ZINC000309475923 385608066 /nfs/dbraw/zinc/60/80/66/385608066.db2.gz BXLSQWFHEBNYSZ-UHFFFAOYSA-N 2 2 218.260 0.811 20 0 BCADLP C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@@H]1[NH+](C)C ZINC000493755388 385613012 /nfs/dbraw/zinc/61/30/12/385613012.db2.gz LVCGOFJZDIOUFD-ZJRFNNFUSA-N 2 2 248.330 0.831 20 0 BCADLP Cn1nnc2cc(C[NH2+]C[C@@H]3CCC[NH2+]3)ccc21 ZINC000414851124 385651712 /nfs/dbraw/zinc/65/17/12/385651712.db2.gz TXMGQPFTYROKJB-NSHDSACASA-N 2 2 245.330 0.810 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000309548689 385681548 /nfs/dbraw/zinc/68/15/48/385681548.db2.gz HMNAUGNOPXNJTA-WDEREUQCSA-N 2 2 227.352 0.714 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000309548689 385681556 /nfs/dbraw/zinc/68/15/56/385681556.db2.gz HMNAUGNOPXNJTA-WDEREUQCSA-N 2 2 227.352 0.714 20 0 BCADLP CC(C)C[C@@H](C[NH3+])[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414856753 385717578 /nfs/dbraw/zinc/71/75/78/385717578.db2.gz ZLBDXJJYSBGFDQ-NEPJUHHUSA-N 3 2 213.369 0.949 20 0 BCADLP CC(C)(C)[C@H]([NH2+]CCCn1cc[nH+]c1)C(N)=O ZINC000182895363 385718772 /nfs/dbraw/zinc/71/87/72/385718772.db2.gz PGOBXCNABIPGCL-SNVBAGLBSA-N 2 2 238.335 0.763 20 0 BCADLP COC[C@H]([NH2+]CC[NH+](C)C)C1CCOCC1 ZINC000309561810 385698786 /nfs/dbraw/zinc/69/87/86/385698786.db2.gz LFQRIPOIQKDHFM-LBPRGKRZSA-N 2 2 230.352 0.579 20 0 BCADLP CC1(C)C(=O)NCC[N@H+]1CCCn1cc[nH+]c1 ZINC000183179064 385739613 /nfs/dbraw/zinc/73/96/13/385739613.db2.gz QBZAPMWOORWUBK-UHFFFAOYSA-N 2 2 236.319 0.484 20 0 BCADLP CC1(C)C(=O)NCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000183179064 385739619 /nfs/dbraw/zinc/73/96/19/385739619.db2.gz QBZAPMWOORWUBK-UHFFFAOYSA-N 2 2 236.319 0.484 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)C[C@@H]1CCC[C@@H]1O ZINC000270940325 385762627 /nfs/dbraw/zinc/76/26/27/385762627.db2.gz YOBZMNPWAUZFRX-RYUDHWBXSA-N 2 2 223.320 0.976 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)C[C@@H]1CCC[C@@H]1O ZINC000270940325 385762631 /nfs/dbraw/zinc/76/26/31/385762631.db2.gz YOBZMNPWAUZFRX-RYUDHWBXSA-N 2 2 223.320 0.976 20 0 BCADLP COC(=O)[C@]1(F)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000270946058 385762844 /nfs/dbraw/zinc/76/28/44/385762844.db2.gz ZJTIVELLOTTWKC-NSHDSACASA-N 2 2 241.266 0.470 20 0 BCADLP COC(=O)[C@]1(F)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000270946058 385762846 /nfs/dbraw/zinc/76/28/46/385762846.db2.gz ZJTIVELLOTTWKC-NSHDSACASA-N 2 2 241.266 0.470 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC2([S@@](C)=O)CC2)CC[N@@H+]1C ZINC000336737488 385768324 /nfs/dbraw/zinc/76/83/24/385768324.db2.gz JLDLVBBJMOMMKZ-GLKRBJQHSA-N 2 2 244.404 0.970 20 0 BCADLP 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UUFOVEBTGYAUOL-VIFPVBQESA-N 2 2 236.319 0.501 20 0 BCADLP C[N@H+]1CC=C(CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000283159026 385813181 /nfs/dbraw/zinc/81/31/81/385813181.db2.gz OXALUPPTKHSEEH-NSCUHMNNSA-N 2 2 246.314 0.801 20 0 BCADLP C[N@@H+]1CC=C(CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000283159026 385813186 /nfs/dbraw/zinc/81/31/86/385813186.db2.gz OXALUPPTKHSEEH-NSCUHMNNSA-N 2 2 246.314 0.801 20 0 BCADLP C[NH2+][C@@H](C)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000261805098 385828843 /nfs/dbraw/zinc/82/88/43/385828843.db2.gz SDUYUPDVDJKLGX-JTQLQIEISA-N 2 2 246.314 0.601 20 0 BCADLP CS[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H]1[NH+](C)C ZINC000271791166 385851190 /nfs/dbraw/zinc/85/11/90/385851190.db2.gz AIDGNQIPCNEYPV-UWVGGRQHSA-N 2 2 240.376 0.887 20 0 BCADLP C[NH+](C)C[C@@H]1CCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000284156395 385854336 /nfs/dbraw/zinc/85/43/36/385854336.db2.gz WYJGSYWPBUVEKN-FYJFLYSWSA-N 2 2 248.330 0.976 20 0 BCADLP Cc1nc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)no1 ZINC000069724116 385854650 /nfs/dbraw/zinc/85/46/50/385854650.db2.gz DOUVGHYABGPQFL-SNVBAGLBSA-N 2 2 224.308 0.939 20 0 BCADLP Cc1nc(C[N@H+]2CCC[C@H](CC[NH3+])C2)no1 ZINC000069724116 385854652 /nfs/dbraw/zinc/85/46/52/385854652.db2.gz DOUVGHYABGPQFL-SNVBAGLBSA-N 2 2 224.308 0.939 20 0 BCADLP CC(C)CN(C(=O)C[N@H+](C)CCC[NH3+])C1CC1 ZINC000647848118 385898608 /nfs/dbraw/zinc/89/86/08/385898608.db2.gz FHXJDPHEJPQGET-UHFFFAOYSA-N 2 2 241.379 0.914 20 0 BCADLP CC(C)CN(C(=O)C[N@@H+](C)CCC[NH3+])C1CC1 ZINC000647848118 385898613 /nfs/dbraw/zinc/89/86/13/385898613.db2.gz FHXJDPHEJPQGET-UHFFFAOYSA-N 2 2 241.379 0.914 20 0 BCADLP C[C@H]1CCC[N@H+](Cc2ccn(C)c(=O)c2)[C@@H]1C[NH3+] ZINC000647846929 385906069 /nfs/dbraw/zinc/90/60/69/385906069.db2.gz MNXDLGMQHOXBBQ-WCQYABFASA-N 2 2 249.358 0.945 20 0 BCADLP C[C@H]1CCC[N@@H+](Cc2ccn(C)c(=O)c2)[C@@H]1C[NH3+] ZINC000647846929 385906070 /nfs/dbraw/zinc/90/60/70/385906070.db2.gz MNXDLGMQHOXBBQ-WCQYABFASA-N 2 2 249.358 0.945 20 0 BCADLP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000122311888 385909023 /nfs/dbraw/zinc/90/90/23/385909023.db2.gz JLMPNBFEADPZIE-RYUDHWBXSA-N 2 2 222.336 0.955 20 0 BCADLP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000122311888 385909029 /nfs/dbraw/zinc/90/90/29/385909029.db2.gz JLMPNBFEADPZIE-RYUDHWBXSA-N 2 2 222.336 0.955 20 0 BCADLP CC[C@H](CCO)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336767887 385930089 /nfs/dbraw/zinc/93/00/89/385930089.db2.gz SVSHPZLBCXAYSI-UTUOFQBUSA-N 2 2 214.353 0.935 20 0 BCADLP CC(C)CCOCC[N@H+](CC[NH3+])CCO ZINC000336742011 385920959 /nfs/dbraw/zinc/92/09/59/385920959.db2.gz NVXIRNBLKOFESI-UHFFFAOYSA-N 2 2 218.341 0.302 20 0 BCADLP CC(C)CCOCC[N@@H+](CC[NH3+])CCO ZINC000336742011 385920964 /nfs/dbraw/zinc/92/09/64/385920964.db2.gz NVXIRNBLKOFESI-UHFFFAOYSA-N 2 2 218.341 0.302 20 0 BCADLP CC(C)N1CC[C@@H]([NH2+]CC2([NH3+])CCC2)C1=O ZINC000342118992 385930062 /nfs/dbraw/zinc/93/00/62/385930062.db2.gz GPYRTQDFKSGVKC-SNVBAGLBSA-N 2 2 225.336 0.467 20 0 BCADLP CC[C@H](CCO)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336767887 385930093 /nfs/dbraw/zinc/93/00/93/385930093.db2.gz SVSHPZLBCXAYSI-UTUOFQBUSA-N 2 2 214.353 0.935 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)c[nH+]1 ZINC000335034042 385923078 /nfs/dbraw/zinc/92/30/78/385923078.db2.gz UCSOQMRCOOPUBZ-MRVPVSSYSA-N 2 2 244.245 0.445 20 0 BCADLP CN(C)c1ncc(C[NH2+]C2CC[NH+](C)CC2)cn1 ZINC000271930308 385860482 /nfs/dbraw/zinc/86/04/82/385860482.db2.gz PJLKJRJPRZTDDK-UHFFFAOYSA-N 2 2 249.362 0.726 20 0 BCADLP C(C[N@@H+]1CCC[NH2+]CC1)OC[C@H]1CCCO1 ZINC000647810519 385861758 /nfs/dbraw/zinc/86/17/58/385861758.db2.gz OICBTWZZOHKHGH-GFCCVEGCSA-N 2 2 228.336 0.477 20 0 BCADLP C(C[N@H+]1CCC[NH2+]CC1)OC[C@H]1CCCO1 ZINC000647810519 385861763 /nfs/dbraw/zinc/86/17/63/385861763.db2.gz OICBTWZZOHKHGH-GFCCVEGCSA-N 2 2 228.336 0.477 20 0 BCADLP CSCC[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000336720209 385862036 /nfs/dbraw/zinc/86/20/36/385862036.db2.gz ZPMFWODIVUNBLO-NSHDSACASA-N 2 2 232.393 0.736 20 0 BCADLP CSCC[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000336720209 385862041 /nfs/dbraw/zinc/86/20/41/385862041.db2.gz ZPMFWODIVUNBLO-NSHDSACASA-N 2 2 232.393 0.736 20 0 BCADLP CSCC[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336720209 385862043 /nfs/dbraw/zinc/86/20/43/385862043.db2.gz ZPMFWODIVUNBLO-NSHDSACASA-N 2 2 232.393 0.736 20 0 BCADLP CSCC[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336720209 385862048 /nfs/dbraw/zinc/86/20/48/385862048.db2.gz ZPMFWODIVUNBLO-NSHDSACASA-N 2 2 232.393 0.736 20 0 BCADLP [NH3+][C@H]1CCC[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000647813490 385866569 /nfs/dbraw/zinc/86/65/69/385866569.db2.gz WBZFYUFQJRFXMZ-RYUDHWBXSA-N 2 2 228.336 0.605 20 0 BCADLP [NH3+][C@H]1CCC[N@@H+](CCOC[C@@H]2CCCO2)C1 ZINC000647813490 385866576 /nfs/dbraw/zinc/86/65/76/385866576.db2.gz WBZFYUFQJRFXMZ-RYUDHWBXSA-N 2 2 228.336 0.605 20 0 BCADLP Cn1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])cc1=O ZINC000647827762 385876509 /nfs/dbraw/zinc/87/65/09/385876509.db2.gz YDANAUTWSAQPDW-GFCCVEGCSA-N 2 2 235.331 0.699 20 0 BCADLP Cn1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])cc1=O ZINC000647827762 385876512 /nfs/dbraw/zinc/87/65/12/385876512.db2.gz YDANAUTWSAQPDW-GFCCVEGCSA-N 2 2 235.331 0.699 20 0 BCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH+](C)C ZINC000338028542 385878024 /nfs/dbraw/zinc/87/80/24/385878024.db2.gz GROJRHMZRSBJJR-SNVBAGLBSA-N 2 2 224.308 0.340 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)CC(=O)NC(C)(C)C ZINC000161520935 385976060 /nfs/dbraw/zinc/97/60/60/385976060.db2.gz DERJEECJHAPBCP-UHFFFAOYSA-N 2 2 238.335 0.730 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)CC(=O)NC(C)(C)C ZINC000161520935 385976066 /nfs/dbraw/zinc/97/60/66/385976066.db2.gz DERJEECJHAPBCP-UHFFFAOYSA-N 2 2 238.335 0.730 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000335020063 385977534 /nfs/dbraw/zinc/97/75/34/385977534.db2.gz XVTANDDTTFJIKA-MRVPVSSYSA-N 2 2 208.265 0.200 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)CC(C)(C)CO ZINC000295152667 385979474 /nfs/dbraw/zinc/97/94/74/385979474.db2.gz DJERTDVJZGQDOW-UHFFFAOYSA-N 2 2 211.309 0.833 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)CC(C)(C)CO ZINC000295152667 385979479 /nfs/dbraw/zinc/97/94/79/385979479.db2.gz DJERTDVJZGQDOW-UHFFFAOYSA-N 2 2 211.309 0.833 20 0 BCADLP CC(C)N(C)C(=O)[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342120939 385933298 /nfs/dbraw/zinc/93/32/98/385933298.db2.gz AKSXUANIEODCSY-JTQLQIEISA-N 2 2 227.352 0.713 20 0 BCADLP CC[NH+](CC)CCC[N@H+](C)CC(=O)NC ZINC000338265010 385935112 /nfs/dbraw/zinc/93/51/12/385935112.db2.gz RDZDCEBFTCVOPY-UHFFFAOYSA-N 2 2 215.341 0.396 20 0 BCADLP CC[NH+](CC)CCC[N@@H+](C)CC(=O)NC ZINC000338265010 385935118 /nfs/dbraw/zinc/93/51/18/385935118.db2.gz RDZDCEBFTCVOPY-UHFFFAOYSA-N 2 2 215.341 0.396 20 0 BCADLP CN(CC1CC1)C(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342174536 385939704 /nfs/dbraw/zinc/93/97/04/385939704.db2.gz ULRKEDFKOPAHIB-UHFFFAOYSA-N 2 2 225.336 0.326 20 0 BCADLP COCCCCC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647863545 385959048 /nfs/dbraw/zinc/95/90/48/385959048.db2.gz DQJIIFZQMCRPNE-NWDGAFQWSA-N 2 2 230.352 0.851 20 0 BCADLP COCCCCC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647863545 385959052 /nfs/dbraw/zinc/95/90/52/385959052.db2.gz DQJIIFZQMCRPNE-NWDGAFQWSA-N 2 2 230.352 0.851 20 0 BCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccsc1 ZINC000414970594 385962703 /nfs/dbraw/zinc/96/27/03/385962703.db2.gz VJCFFBNIRKMODK-LLVKDONJSA-N 2 2 225.361 0.741 20 0 BCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccsc1 ZINC000414970595 385963248 /nfs/dbraw/zinc/96/32/48/385963248.db2.gz VJCFFBNIRKMODK-NSHDSACASA-N 2 2 225.361 0.741 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@H+](CCOCC2CC2)CCO1 ZINC000647864716 385968644 /nfs/dbraw/zinc/96/86/44/385968644.db2.gz ZQVLTNWXEQFEHN-CMPLNLGQSA-N 2 2 228.336 0.461 20 0 BCADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCOCC2CC2)CCO1 ZINC000647864716 385968649 /nfs/dbraw/zinc/96/86/49/385968649.db2.gz ZQVLTNWXEQFEHN-CMPLNLGQSA-N 2 2 228.336 0.461 20 0 BCADLP CC[NH+](CC)CCC[N@H+](CC)[C@H]1CCNC1=O ZINC000338348162 385975158 /nfs/dbraw/zinc/97/51/58/385975158.db2.gz MJJGKNIVIRMBMC-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP CC[NH+](CC)CCC[N@@H+](CC)[C@H]1CCNC1=O ZINC000338348162 385975166 /nfs/dbraw/zinc/97/51/66/385975166.db2.gz MJJGKNIVIRMBMC-LBPRGKRZSA-N 2 2 241.379 0.929 20 0 BCADLP CC1([NH3+])CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000647927737 386000146 /nfs/dbraw/zinc/00/01/46/386000146.db2.gz DABQZIXRVDRJHG-UHFFFAOYSA-N 2 2 239.363 0.812 20 0 BCADLP CCC[C@@H]([NH3+])c1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000309271421 386000872 /nfs/dbraw/zinc/00/08/72/386000872.db2.gz DDASAFPPLXVCBQ-MRVPVSSYSA-N 2 2 220.280 0.849 20 0 BCADLP CCn1nccc1C[NH2+]CC1([NH3+])CCC1 ZINC000414882323 386011434 /nfs/dbraw/zinc/01/14/34/386011434.db2.gz UBBDUOMFZLNXKA-UHFFFAOYSA-N 2 2 208.309 0.874 20 0 BCADLP COCC[NH2+]CC[NH2+]Cc1cccc2c1NCC2 ZINC000414882624 386018350 /nfs/dbraw/zinc/01/83/50/386018350.db2.gz LSSBZWXDYSBQQU-UHFFFAOYSA-N 2 2 249.358 0.980 20 0 BCADLP c1ncc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cn1 ZINC000112839225 386119698 /nfs/dbraw/zinc/11/96/98/386119698.db2.gz FSEUEYBSKNLKPU-CHWSQXEVSA-N 2 2 248.330 0.429 20 0 BCADLP Cc1cc(NC(=O)NC[C@H](C)C[NH3+])cc[nH+]1 ZINC000415373122 386066563 /nfs/dbraw/zinc/06/65/63/386066563.db2.gz BTTRLXQCXKQUIA-MRVPVSSYSA-N 2 2 222.292 0.528 20 0 BCADLP CC[N@@H+]1CCN(c2nc(C)[nH+]c(N)n2)C[C@@H]1C ZINC000310096616 386095597 /nfs/dbraw/zinc/09/55/97/386095597.db2.gz IJJYTADFYWQLCN-QMMMGPOBSA-N 2 2 236.323 0.293 20 0 BCADLP CC[N@H+]1CCN(c2nc(C)[nH+]c(N)n2)C[C@@H]1C ZINC000310096616 386095604 /nfs/dbraw/zinc/09/56/04/386095604.db2.gz IJJYTADFYWQLCN-QMMMGPOBSA-N 2 2 236.323 0.293 20 0 BCADLP CC[N@@H+]1CCN(c2nc(C)[nH+]c(N)n2)C[C@H]1C ZINC000310096614 386096317 /nfs/dbraw/zinc/09/63/17/386096317.db2.gz IJJYTADFYWQLCN-MRVPVSSYSA-N 2 2 236.323 0.293 20 0 BCADLP CC[N@H+]1CCN(c2nc(C)[nH+]c(N)n2)C[C@H]1C ZINC000310096614 386096323 /nfs/dbraw/zinc/09/63/23/386096323.db2.gz IJJYTADFYWQLCN-MRVPVSSYSA-N 2 2 236.323 0.293 20 0 BCADLP COC(=O)[C@H]1CC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414676132 386149383 /nfs/dbraw/zinc/14/93/83/386149383.db2.gz MYIYWQICXHXEQO-QWRGUYRKSA-N 2 2 228.336 0.855 20 0 BCADLP COC(=O)[C@H]1CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414676132 386149387 /nfs/dbraw/zinc/14/93/87/386149387.db2.gz MYIYWQICXHXEQO-QWRGUYRKSA-N 2 2 228.336 0.855 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1C(N)=O ZINC000414677137 386152171 /nfs/dbraw/zinc/15/21/71/386152171.db2.gz WCZHBKCKFMXKPY-ZJUUUORDSA-N 2 2 213.325 0.310 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1C(N)=O ZINC000414677137 386152176 /nfs/dbraw/zinc/15/21/76/386152176.db2.gz WCZHBKCKFMXKPY-ZJUUUORDSA-N 2 2 213.325 0.310 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCc2nc(C)ncc2C1 ZINC000647878691 386159445 /nfs/dbraw/zinc/15/94/45/386159445.db2.gz YWJHQSBDSUABEE-UHFFFAOYSA-N 2 2 220.320 0.753 20 0 BCADLP C[NH2+]CCC[N@H+]1CCc2nc(C)ncc2C1 ZINC000647878691 386159449 /nfs/dbraw/zinc/15/94/49/386159449.db2.gz YWJHQSBDSUABEE-UHFFFAOYSA-N 2 2 220.320 0.753 20 0 BCADLP C[C@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[NH2+]1 ZINC000310390214 386179136 /nfs/dbraw/zinc/17/91/36/386179136.db2.gz KWMJZTAVNAIKDF-WDEREUQCSA-N 2 2 236.319 0.530 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+](CC(N)=O)CC(C)C ZINC000414692297 386183197 /nfs/dbraw/zinc/18/31/97/386183197.db2.gz ARLYAUJDMBCHMA-LLVKDONJSA-N 2 2 229.368 0.803 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+](CC(N)=O)CC(C)C ZINC000414692297 386183199 /nfs/dbraw/zinc/18/31/99/386183199.db2.gz ARLYAUJDMBCHMA-LLVKDONJSA-N 2 2 229.368 0.803 20 0 BCADLP CCCCNC(=O)CC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000346087524 386141701 /nfs/dbraw/zinc/14/17/01/386141701.db2.gz JGHIYZFCXWPIQD-LLVKDONJSA-N 2 2 227.352 0.716 20 0 BCADLP CCCCNC(=O)CC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000346087524 386141707 /nfs/dbraw/zinc/14/17/07/386141707.db2.gz JGHIYZFCXWPIQD-LLVKDONJSA-N 2 2 227.352 0.716 20 0 BCADLP CNC(=O)[C@H]1CCCC[N@@H+]1C[C@H]([NH3+])CC(C)C ZINC000414674585 386143359 /nfs/dbraw/zinc/14/33/59/386143359.db2.gz KSCQNTXLDMDKBP-VXGBXAGGSA-N 2 2 241.379 0.960 20 0 BCADLP CNC(=O)[C@H]1CCCC[N@H+]1C[C@H]([NH3+])CC(C)C ZINC000414674585 386143362 /nfs/dbraw/zinc/14/33/62/386143362.db2.gz KSCQNTXLDMDKBP-VXGBXAGGSA-N 2 2 241.379 0.960 20 0 BCADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000414710392 386227658 /nfs/dbraw/zinc/22/76/58/386227658.db2.gz QUOJOTGLPLVLQF-NSHDSACASA-N 2 2 241.379 0.962 20 0 BCADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000414710392 386227662 /nfs/dbraw/zinc/22/76/62/386227662.db2.gz QUOJOTGLPLVLQF-NSHDSACASA-N 2 2 241.379 0.962 20 0 BCADLP O=C1C[N@H+](C[C@@H]2CC[NH2+]C2)[C@@H]2CCCC[C@H]2N1 ZINC000647882943 386234280 /nfs/dbraw/zinc/23/42/80/386234280.db2.gz RECOZQZJSFMGFI-IJLUTSLNSA-N 2 2 237.347 0.339 20 0 BCADLP O=C1C[N@@H+](C[C@@H]2CC[NH2+]C2)[C@@H]2CCCC[C@H]2N1 ZINC000647882943 386234283 /nfs/dbraw/zinc/23/42/83/386234283.db2.gz RECOZQZJSFMGFI-IJLUTSLNSA-N 2 2 237.347 0.339 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccnc(N(C)C)n2)C1 ZINC000347081320 386242398 /nfs/dbraw/zinc/24/23/98/386242398.db2.gz XWLAILPJFIPDGW-LLVKDONJSA-N 2 2 249.362 0.584 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccnc(N(C)C)n2)C1 ZINC000347081320 386242402 /nfs/dbraw/zinc/24/24/02/386242402.db2.gz XWLAILPJFIPDGW-LLVKDONJSA-N 2 2 249.362 0.584 20 0 BCADLP CC[N@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)CS(C)(=O)=O ZINC000647885802 386286435 /nfs/dbraw/zinc/28/64/35/386286435.db2.gz SODJLIGDJCLTBP-GHMZBOCLSA-N 2 2 248.392 0.351 20 0 BCADLP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)CS(C)(=O)=O ZINC000647885802 386286438 /nfs/dbraw/zinc/28/64/38/386286438.db2.gz SODJLIGDJCLTBP-GHMZBOCLSA-N 2 2 248.392 0.351 20 0 BCADLP CO[C@H]1C[NH+](CCn2cc[nH+]c2)C[C@@H]1OC ZINC000336665866 386290779 /nfs/dbraw/zinc/29/07/79/386290779.db2.gz JJBBQEMXFMOVHI-QWRGUYRKSA-N 2 2 225.292 0.229 20 0 BCADLP CO[C@@H]1C[NH+](CCn2cc[nH+]c2)C[C@H]1OC ZINC000336665852 386291274 /nfs/dbraw/zinc/29/12/74/386291274.db2.gz JJBBQEMXFMOVHI-GHMZBOCLSA-N 2 2 225.292 0.229 20 0 BCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000183174577 386291475 /nfs/dbraw/zinc/29/14/75/386291475.db2.gz IRECTELTSFKURD-JTQLQIEISA-N 2 2 222.292 0.223 20 0 BCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000183174577 386291477 /nfs/dbraw/zinc/29/14/77/386291477.db2.gz IRECTELTSFKURD-JTQLQIEISA-N 2 2 222.292 0.223 20 0 BCADLP Cc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](C)[NH3+])n1 ZINC000415005645 386304615 /nfs/dbraw/zinc/30/46/15/386304615.db2.gz JJRMMLOLSGBFQZ-BDAKNGLRSA-N 2 2 209.293 0.921 20 0 BCADLP C[C@@H](O)C[N@H+](CCc1c[nH+]cn1C)[C@@H](C)CO ZINC000289491369 386317041 /nfs/dbraw/zinc/31/70/41/386317041.db2.gz CNETWCJUIBRAOR-WDEREUQCSA-N 2 2 241.335 0.026 20 0 BCADLP C[C@@H](O)C[N@@H+](CCc1c[nH+]cn1C)[C@@H](C)CO ZINC000289491369 386317045 /nfs/dbraw/zinc/31/70/45/386317045.db2.gz CNETWCJUIBRAOR-WDEREUQCSA-N 2 2 241.335 0.026 20 0 BCADLP COC[C@H]1CC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000339290054 386342831 /nfs/dbraw/zinc/34/28/31/386342831.db2.gz HSVKYEVIHCUWRB-VXGBXAGGSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@H]1CC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000339290054 386342843 /nfs/dbraw/zinc/34/28/43/386342843.db2.gz HSVKYEVIHCUWRB-VXGBXAGGSA-N 2 2 228.336 0.162 20 0 BCADLP COC[C@H]1CC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000339290054 386342847 /nfs/dbraw/zinc/34/28/47/386342847.db2.gz HSVKYEVIHCUWRB-VXGBXAGGSA-N 2 2 228.336 0.162 20 0 BCADLP O=C1[C@@H]([N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CCN1C1CC1 ZINC000334491346 386344224 /nfs/dbraw/zinc/34/42/24/386344224.db2.gz XEXSSVFZRBZDFH-GXTWGEPZSA-N 2 2 249.358 0.435 20 0 BCADLP O=C1[C@@H]([N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CCN1C1CC1 ZINC000334491346 386344233 /nfs/dbraw/zinc/34/42/33/386344233.db2.gz XEXSSVFZRBZDFH-GXTWGEPZSA-N 2 2 249.358 0.435 20 0 BCADLP O=C1[C@@H]([N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CCN1C1CC1 ZINC000334491347 386344532 /nfs/dbraw/zinc/34/45/32/386344532.db2.gz XEXSSVFZRBZDFH-JSGCOSHPSA-N 2 2 249.358 0.435 20 0 BCADLP O=C1[C@@H]([N@H+]2CC[C@]3(CC[NH2+]C3)C2)CCN1C1CC1 ZINC000334491347 386344541 /nfs/dbraw/zinc/34/45/41/386344541.db2.gz XEXSSVFZRBZDFH-JSGCOSHPSA-N 2 2 249.358 0.435 20 0 BCADLP CC(C)C[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647989182 386348479 /nfs/dbraw/zinc/34/84/79/386348479.db2.gz ULEMWXARCIXYMJ-NEPJUHHUSA-N 2 2 239.363 0.442 20 0 BCADLP CC(C)C[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647989182 386348485 /nfs/dbraw/zinc/34/84/85/386348485.db2.gz ULEMWXARCIXYMJ-NEPJUHHUSA-N 2 2 239.363 0.442 20 0 BCADLP C1CC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C[NH2+]C1 ZINC000335269930 386353611 /nfs/dbraw/zinc/35/36/11/386353611.db2.gz LAGXQZWVISDQHK-RYUDHWBXSA-N 3 2 211.353 0.860 20 0 BCADLP C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC[NH2+]C(C)(C)C ZINC000414747476 386354207 /nfs/dbraw/zinc/35/42/07/386354207.db2.gz UHICTVGWAUYEPI-VHSXEESVSA-N 2 2 227.352 0.489 20 0 BCADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N1CCC1 ZINC000335271228 386358939 /nfs/dbraw/zinc/35/89/39/386358939.db2.gz LDURTCSDAMDCFI-UHFFFAOYSA-N 2 2 248.330 0.821 20 0 BCADLP O=C(C[NH+]1CCC(c2c[nH+]c[nH]2)CC1)N1CCC1 ZINC000335271228 386358940 /nfs/dbraw/zinc/35/89/40/386358940.db2.gz LDURTCSDAMDCFI-UHFFFAOYSA-N 2 2 248.330 0.821 20 0 BCADLP Cc1ccn2c(CN(CC[NH3+])CCO)c[nH+]c2c1 ZINC000414904971 386360150 /nfs/dbraw/zinc/36/01/50/386360150.db2.gz AGCFFWHLUOLJON-UHFFFAOYSA-N 2 2 248.330 0.396 20 0 BCADLP C[N@H+](Cc1cccc2[nH+]ccn21)[C@@H]1COC[C@H]1O ZINC000289857844 386365078 /nfs/dbraw/zinc/36/50/78/386365078.db2.gz VHHWIGYYQOGVFP-VXGBXAGGSA-N 2 2 247.298 0.526 20 0 BCADLP C[N@@H+](Cc1cccc2[nH+]ccn21)[C@@H]1COC[C@H]1O ZINC000289857844 386365085 /nfs/dbraw/zinc/36/50/85/386365085.db2.gz VHHWIGYYQOGVFP-VXGBXAGGSA-N 2 2 247.298 0.526 20 0 BCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC[NH+](C)C ZINC000166088082 386365809 /nfs/dbraw/zinc/36/58/09/386365809.db2.gz MUAZWAJHSFOMFR-RYUDHWBXSA-N 3 2 229.368 0.295 20 0 BCADLP C[NH+](C)C[C@H]1C[N@H+](C[C@H]2CCCOC2)CCO1 ZINC000336696128 386375067 /nfs/dbraw/zinc/37/50/67/386375067.db2.gz JTTPYSNPGKYDDW-OLZOCXBDSA-N 2 2 242.363 0.675 20 0 BCADLP C[NH+](C)C[C@H]1C[N@@H+](C[C@H]2CCCOC2)CCO1 ZINC000336696128 386375071 /nfs/dbraw/zinc/37/50/71/386375071.db2.gz JTTPYSNPGKYDDW-OLZOCXBDSA-N 2 2 242.363 0.675 20 0 BCADLP C[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)Cn1cc[nH+]c1 ZINC000237438300 386380077 /nfs/dbraw/zinc/38/00/77/386380077.db2.gz KOYHLLRQNHIMGW-GHMZBOCLSA-N 2 2 236.319 0.245 20 0 BCADLP CCOC(=O)[C@@H](C)[N@H+](CCC[NH3+])C1CC1 ZINC000414742384 386326879 /nfs/dbraw/zinc/32/68/79/386326879.db2.gz MBMINVSLJZLJPV-SECBINFHSA-N 2 2 214.309 0.751 20 0 BCADLP CCOC(=O)[C@@H](C)[N@@H+](CCC[NH3+])C1CC1 ZINC000414742384 386326884 /nfs/dbraw/zinc/32/68/84/386326884.db2.gz MBMINVSLJZLJPV-SECBINFHSA-N 2 2 214.309 0.751 20 0 BCADLP OC[C@@H]1CC[C@@H](CO)[NH+]1CCCn1cc[nH+]c1 ZINC000347341872 386339523 /nfs/dbraw/zinc/33/95/23/386339523.db2.gz QXRHNAMCTITYFB-RYUDHWBXSA-N 2 2 239.319 0.091 20 0 BCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC000335279634 386395582 /nfs/dbraw/zinc/39/55/82/386395582.db2.gz JDULHCILWLSLMV-GHMZBOCLSA-N 2 2 225.336 0.468 20 0 BCADLP C[C@@H](C(=O)NCc1cn2ccccc2[nH+]1)[C@H](C)[NH3+] ZINC000277041205 386399866 /nfs/dbraw/zinc/39/98/66/386399866.db2.gz KEHIBJKSLJVADF-ZJUUUORDSA-N 2 2 246.314 0.934 20 0 BCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000290201212 386407991 /nfs/dbraw/zinc/40/79/91/386407991.db2.gz RIPFHSBDWARGPU-VHSXEESVSA-N 2 2 236.319 0.424 20 0 BCADLP Cc1noc([C@@H]2CCC[N@@H+](C[C@@H](C)[NH3+])C2)n1 ZINC000442659502 386413597 /nfs/dbraw/zinc/41/35/97/386413597.db2.gz BSNUGIBHRLLZLS-PSASIEDQSA-N 2 2 224.308 0.905 20 0 BCADLP Cc1noc([C@@H]2CCC[N@H+](C[C@@H](C)[NH3+])C2)n1 ZINC000442659502 386413603 /nfs/dbraw/zinc/41/36/03/386413603.db2.gz BSNUGIBHRLLZLS-PSASIEDQSA-N 2 2 224.308 0.905 20 0 BCADLP CC[C@@H](C)[N@H+](CCC[NH3+])CC(=O)OC ZINC000414760403 386416300 /nfs/dbraw/zinc/41/63/00/386416300.db2.gz YNWXAQFYNDUWIB-SECBINFHSA-N 2 2 202.298 0.609 20 0 BCADLP CC[C@@H](C)[N@@H+](CCC[NH3+])CC(=O)OC ZINC000414760403 386416304 /nfs/dbraw/zinc/41/63/04/386416304.db2.gz YNWXAQFYNDUWIB-SECBINFHSA-N 2 2 202.298 0.609 20 0 BCADLP CO[C@@H](C)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336710187 386424758 /nfs/dbraw/zinc/42/47/58/386424758.db2.gz KRSUNXMQSKHJSP-NSHDSACASA-N 2 2 238.335 0.562 20 0 BCADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc2c(c1)nnn2C ZINC000414763484 386428104 /nfs/dbraw/zinc/42/81/04/386428104.db2.gz COQSYUFOOVTIGG-MWLCHTKSSA-N 2 2 245.330 0.890 20 0 BCADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc2c(c1)nnn2C ZINC000414763484 386428106 /nfs/dbraw/zinc/42/81/06/386428106.db2.gz COQSYUFOOVTIGG-MWLCHTKSSA-N 2 2 245.330 0.890 20 0 BCADLP Cc1cc(C[N@H+](C)C2CC([NH3+])C2)nn1C ZINC000414765775 386433505 /nfs/dbraw/zinc/43/35/05/386433505.db2.gz CKPZGSORZCPJQV-UHFFFAOYSA-N 2 2 208.309 0.650 20 0 BCADLP Cc1cc(C[N@@H+](C)C2CC([NH3+])C2)nn1C ZINC000414765775 386433507 /nfs/dbraw/zinc/43/35/07/386433507.db2.gz CKPZGSORZCPJQV-UHFFFAOYSA-N 2 2 208.309 0.650 20 0 BCADLP C[NH+](C)C1CC[NH+](CCN2CCNC2=O)CC1 ZINC000336714649 386433979 /nfs/dbraw/zinc/43/39/79/386433979.db2.gz PFNPTZXWRSLSMP-UHFFFAOYSA-N 2 2 240.351 0.038 20 0 BCADLP Cc1cc(NC(=O)N2CCC[NH2+]CC2)c(C)c[nH+]1 ZINC000519693148 386528916 /nfs/dbraw/zinc/52/89/16/386528916.db2.gz IQNDQMXHEQOXAO-UHFFFAOYSA-N 2 2 248.330 0.948 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CC2([S@](C)=O)CC2)n1C ZINC000519552465 386486609 /nfs/dbraw/zinc/48/66/09/386486609.db2.gz OZAOEARGDCERKA-INIZCTEOSA-N 2 2 241.360 0.729 20 0 BCADLP Cc1cn[nH]c1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000335447268 386515557 /nfs/dbraw/zinc/51/55/57/386515557.db2.gz BRLZPXBOKZHHPS-UWVGGRQHSA-N 2 2 208.309 0.887 20 0 BCADLP Cc1cn[nH]c1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000335448060 386516516 /nfs/dbraw/zinc/51/65/16/386516516.db2.gz LHUDGYUEKGMEDO-NSHDSACASA-N 2 2 208.309 0.889 20 0 BCADLP Cc1cn[nH]c1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000335448060 386516517 /nfs/dbraw/zinc/51/65/17/386516517.db2.gz LHUDGYUEKGMEDO-NSHDSACASA-N 2 2 208.309 0.889 20 0 BCADLP Cc1c[nH]nc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000335448060 386516524 /nfs/dbraw/zinc/51/65/24/386516524.db2.gz LHUDGYUEKGMEDO-NSHDSACASA-N 2 2 208.309 0.889 20 0 BCADLP Cc1c[nH]nc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000335448060 386516530 /nfs/dbraw/zinc/51/65/30/386516530.db2.gz LHUDGYUEKGMEDO-NSHDSACASA-N 2 2 208.309 0.889 20 0 BCADLP Cc1cn[nH]c1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000335448311 386517950 /nfs/dbraw/zinc/51/79/50/386517950.db2.gz MNTKLOFFIMRYKX-VHSXEESVSA-N 2 2 208.309 0.887 20 0 BCADLP [NH3+]C1(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCC1 ZINC000335451597 386524812 /nfs/dbraw/zinc/52/48/12/386524812.db2.gz CKXRZPWGAIXFPQ-UHFFFAOYSA-N 2 2 248.330 0.997 20 0 BCADLP CC(C)Cn1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cn1 ZINC000415039636 386526794 /nfs/dbraw/zinc/52/67/94/386526794.db2.gz PJOSLTQELROVPQ-ITGUQSILSA-N 2 2 234.347 0.847 20 0 BCADLP CC(C)C(=O)NCCC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000339503376 386454389 /nfs/dbraw/zinc/45/43/89/386454389.db2.gz AKAHBQHRYGIEDE-NWDGAFQWSA-N 2 2 241.379 0.688 20 0 BCADLP CC(C)C(=O)NCCC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000339503376 386454397 /nfs/dbraw/zinc/45/43/97/386454397.db2.gz AKAHBQHRYGIEDE-NWDGAFQWSA-N 2 2 241.379 0.688 20 0 BCADLP C[C@@H](CC[NH+](C)C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000277683448 386458068 /nfs/dbraw/zinc/45/80/68/386458068.db2.gz NEFVIWIRZUTGCP-YEZKRMTDSA-N 2 2 236.319 0.879 20 0 BCADLP COC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266690729 386462756 /nfs/dbraw/zinc/46/27/56/386462756.db2.gz AOFAJPKGQWXGHW-UHFFFAOYSA-N 2 2 223.276 0.762 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000278758751 386578992 /nfs/dbraw/zinc/57/89/92/386578992.db2.gz SWRDVPATQWMUHA-LLVKDONJSA-N 2 2 248.330 0.663 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000278758751 386578997 /nfs/dbraw/zinc/57/89/97/386578997.db2.gz SWRDVPATQWMUHA-LLVKDONJSA-N 2 2 248.330 0.663 20 0 BCADLP COC(=O)C(C)(C)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000414798236 386582647 /nfs/dbraw/zinc/58/26/47/386582647.db2.gz ZYNIGYQSFQTOAU-MNOVXSKESA-N 2 2 240.347 0.869 20 0 BCADLP COC(=O)C(C)(C)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000414798236 386582652 /nfs/dbraw/zinc/58/26/52/386582652.db2.gz ZYNIGYQSFQTOAU-MNOVXSKESA-N 2 2 240.347 0.869 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000267893707 386594872 /nfs/dbraw/zinc/59/48/72/386594872.db2.gz VKSJMHJTLXGVLZ-SNVBAGLBSA-N 2 2 222.292 0.429 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000267893707 386594875 /nfs/dbraw/zinc/59/48/75/386594875.db2.gz VKSJMHJTLXGVLZ-SNVBAGLBSA-N 2 2 222.292 0.429 20 0 BCADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(C(N)=O)cs1 ZINC000414787399 386535051 /nfs/dbraw/zinc/53/50/51/386535051.db2.gz CIFSSVAZDJRGAG-SNVBAGLBSA-N 2 2 241.360 0.920 20 0 BCADLP C[N@@H+](Cc1cccc2c1OCO2)C[C@@H](O)C[NH3+] ZINC000415056828 386536707 /nfs/dbraw/zinc/53/67/07/386536707.db2.gz OREASKUFRYSFGY-JTQLQIEISA-N 2 2 238.287 0.167 20 0 BCADLP C[N@H+](Cc1cccc2c1OCO2)C[C@@H](O)C[NH3+] ZINC000415056828 386536713 /nfs/dbraw/zinc/53/67/13/386536713.db2.gz OREASKUFRYSFGY-JTQLQIEISA-N 2 2 238.287 0.167 20 0 BCADLP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[NH+](C)CC2)cc1 ZINC000228094975 386540649 /nfs/dbraw/zinc/54/06/49/386540649.db2.gz LYIYGKFAUGHLDS-CYBMUJFWSA-N 2 2 247.342 0.769 20 0 BCADLP Cc1cnccc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000228668566 386596902 /nfs/dbraw/zinc/59/69/02/386596902.db2.gz GRWGKQVDJMVTKR-CQSZACIVSA-N 2 2 249.358 0.936 20 0 BCADLP Cc1ccc([C@H]([NH3+])C(=O)N2CC[NH+](C)CC2)cc1 ZINC000228094986 386542015 /nfs/dbraw/zinc/54/20/15/386542015.db2.gz LYIYGKFAUGHLDS-ZDUSSCGKSA-N 2 2 247.342 0.769 20 0 BCADLP Cc1[nH]c(C(=O)NCC2=CC[NH2+]CC2)c[nH+]1 ZINC000335461243 386544043 /nfs/dbraw/zinc/54/40/43/386544043.db2.gz CYFPPORGIIVBTL-UHFFFAOYSA-N 2 2 220.276 0.368 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](CCc2cccnc2)CCO1 ZINC000063221821 386546385 /nfs/dbraw/zinc/54/63/85/386546385.db2.gz HAQYKFYUWMKQBW-LBPRGKRZSA-N 2 2 221.304 0.284 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](CCc2cccnc2)CCO1 ZINC000063221821 386546391 /nfs/dbraw/zinc/54/63/91/386546391.db2.gz HAQYKFYUWMKQBW-LBPRGKRZSA-N 2 2 221.304 0.284 20 0 BCADLP [NH3+][C@H]1C[C@@H](C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000335465707 386550881 /nfs/dbraw/zinc/55/08/81/386550881.db2.gz SZARCUNJTPOQAJ-PHIMTYICSA-N 2 2 248.330 0.853 20 0 BCADLP [NH3+][C@H]1C[C@@H](C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000335465707 386550888 /nfs/dbraw/zinc/55/08/88/386550888.db2.gz SZARCUNJTPOQAJ-PHIMTYICSA-N 2 2 248.330 0.853 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CC(=O)N1CCCC1 ZINC000063195950 386553952 /nfs/dbraw/zinc/55/39/52/386553952.db2.gz CWJPNCCFKJAXLZ-NWDGAFQWSA-N 2 2 239.363 0.811 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CC(=O)N1CCCC1 ZINC000063195950 386553957 /nfs/dbraw/zinc/55/39/57/386553957.db2.gz CWJPNCCFKJAXLZ-NWDGAFQWSA-N 2 2 239.363 0.811 20 0 BCADLP Cn1cc(C[N@@H+]2CCn3c[nH+]cc3C2)cn1 ZINC000291539773 386556719 /nfs/dbraw/zinc/55/67/19/386556719.db2.gz LESYZMNBEGNDNA-UHFFFAOYSA-N 2 2 217.276 0.632 20 0 BCADLP Cn1cc(C[N@H+]2CCn3c[nH+]cc3C2)cn1 ZINC000291539773 386556728 /nfs/dbraw/zinc/55/67/28/386556728.db2.gz LESYZMNBEGNDNA-UHFFFAOYSA-N 2 2 217.276 0.632 20 0 BCADLP CCN1C[C@H]([NH2+][C@H](C)[C@H]2CCCC[NH2+]2)CC1=O ZINC000391648016 386558737 /nfs/dbraw/zinc/55/87/37/386558737.db2.gz VQGIZYFIAIPEIA-IJLUTSLNSA-N 2 2 239.363 0.727 20 0 BCADLP COC(=O)c1ccc(C[NH2+]CC(C)(C)[NH3+])o1 ZINC000414795952 386564272 /nfs/dbraw/zinc/56/42/72/386564272.db2.gz BEIZCVKQLVQXGH-UHFFFAOYSA-N 2 2 226.276 0.893 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000519830981 386565539 /nfs/dbraw/zinc/56/55/39/386565539.db2.gz ZBUAEQQKHIGLRY-OLZOCXBDSA-N 3 2 225.380 0.917 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000519830981 386565542 /nfs/dbraw/zinc/56/55/42/386565542.db2.gz ZBUAEQQKHIGLRY-OLZOCXBDSA-N 3 2 225.380 0.917 20 0 BCADLP Cc1ccc(O)c(C[NH2+]CC(C)(C)[NH3+])n1 ZINC000414796483 386567157 /nfs/dbraw/zinc/56/71/57/386567157.db2.gz BUSPGPRJPTYNJR-UHFFFAOYSA-N 2 2 209.293 0.923 20 0 BCADLP C[N@H+](C[C@@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647903660 386569281 /nfs/dbraw/zinc/56/92/81/386569281.db2.gz NWTRJQWEOYPQGD-FKJOKYEKSA-N 3 2 223.364 0.811 20 0 BCADLP C[N@@H+](C[C@@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647903660 386569291 /nfs/dbraw/zinc/56/92/91/386569291.db2.gz NWTRJQWEOYPQGD-FKJOKYEKSA-N 3 2 223.364 0.811 20 0 BCADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000414795076 386572342 /nfs/dbraw/zinc/57/23/42/386572342.db2.gz MJSOYGWHIRDTHP-GFCCVEGCSA-N 2 2 235.331 0.858 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414795111 386573528 /nfs/dbraw/zinc/57/35/28/386573528.db2.gz MMKAHDWCGQIHJE-MNOVXSKESA-N 3 2 201.358 0.933 20 0 BCADLP Cc1ccc(C[C@@H](CO)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000415110330 386619583 /nfs/dbraw/zinc/61/95/83/386619583.db2.gz SNPVQRQSHILTGA-KBPBESRZSA-N 2 2 234.343 0.850 20 0 BCADLP Cc1cc(C[N@H+](C)CC[NH3+])ccc1-n1cncn1 ZINC000415103016 386623044 /nfs/dbraw/zinc/62/30/44/386623044.db2.gz FIRAUMAIPAKEHX-UHFFFAOYSA-N 2 2 245.330 0.966 20 0 BCADLP Cc1cc(C[N@@H+](C)CC[NH3+])ccc1-n1cncn1 ZINC000415103016 386623047 /nfs/dbraw/zinc/62/30/47/386623047.db2.gz FIRAUMAIPAKEHX-UHFFFAOYSA-N 2 2 245.330 0.966 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414925109 386626690 /nfs/dbraw/zinc/62/66/90/386626690.db2.gz JHHPLGLIROHMOZ-IJLUTSLNSA-N 3 2 211.353 0.716 20 0 BCADLP C[NH2+]CCC[N@H+](C)Cc1c[nH]c(C(=O)OC)c1 ZINC000415128060 386634701 /nfs/dbraw/zinc/63/47/01/386634701.db2.gz JLGFVKDUBYRIQM-UHFFFAOYSA-N 2 2 239.319 0.843 20 0 BCADLP C[NH2+]CCC[N@@H+](C)Cc1c[nH]c(C(=O)OC)c1 ZINC000415128060 386634708 /nfs/dbraw/zinc/63/47/08/386634708.db2.gz JLGFVKDUBYRIQM-UHFFFAOYSA-N 2 2 239.319 0.843 20 0 BCADLP CC[NH+](CC)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000279159022 386640314 /nfs/dbraw/zinc/64/03/14/386640314.db2.gz IBCDJFGZVHSCLB-UHFFFAOYSA-N 2 2 238.335 0.800 20 0 BCADLP c1[nH]cc(CN2CC[N@@H+]3CCC[C@H]3C2)[nH+]1 ZINC000245803162 386604224 /nfs/dbraw/zinc/60/42/24/386604224.db2.gz YCIYKQIOJOZONR-NSHDSACASA-N 2 2 206.293 0.690 20 0 BCADLP c1[nH]cc(CN2CC[N@H+]3CCC[C@H]3C2)[nH+]1 ZINC000245803162 386604237 /nfs/dbraw/zinc/60/42/37/386604237.db2.gz YCIYKQIOJOZONR-NSHDSACASA-N 2 2 206.293 0.690 20 0 BCADLP c1[nH]c(CN2CC[N@@H+]3CCC[C@H]3C2)c[nH+]1 ZINC000245803162 386604241 /nfs/dbraw/zinc/60/42/41/386604241.db2.gz YCIYKQIOJOZONR-NSHDSACASA-N 2 2 206.293 0.690 20 0 BCADLP c1[nH]c(CN2CC[N@H+]3CCC[C@H]3C2)c[nH+]1 ZINC000245803162 386604249 /nfs/dbraw/zinc/60/42/49/386604249.db2.gz YCIYKQIOJOZONR-NSHDSACASA-N 2 2 206.293 0.690 20 0 BCADLP CCCC[C@@H](COC)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415091447 386609541 /nfs/dbraw/zinc/60/95/41/386609541.db2.gz CPXIVZKUXDMMSB-RYUDHWBXSA-N 2 2 230.352 0.770 20 0 BCADLP CO[C@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425331286 386665478 /nfs/dbraw/zinc/66/54/78/386665478.db2.gz CINOBSKRANUUES-NSHDSACASA-N 2 2 238.335 0.707 20 0 BCADLP CO[C@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425331286 386665483 /nfs/dbraw/zinc/66/54/83/386665483.db2.gz CINOBSKRANUUES-NSHDSACASA-N 2 2 238.335 0.707 20 0 BCADLP CN(C)c1nc(N(C)Cc2[nH]cc[nH+]2)cc[nH+]1 ZINC000428129851 386667864 /nfs/dbraw/zinc/66/78/64/386667864.db2.gz IHVRNARWKNZGKG-UHFFFAOYSA-N 2 2 232.291 0.902 20 0 BCADLP C[C@@H]1C[C@H](CNCC(F)(F)C[NH3+])CC[NH2+]1 ZINC000414927027 386688268 /nfs/dbraw/zinc/68/82/68/386688268.db2.gz KQFXAOMHXMETSI-RKDXNWHRSA-N 2 2 221.295 0.558 20 0 BCADLP [NH3+]CCOCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000357068232 386707847 /nfs/dbraw/zinc/70/78/47/386707847.db2.gz DNZAHUMPFNJJLL-UHFFFAOYSA-N 3 2 238.335 0.564 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000414929618 386738393 /nfs/dbraw/zinc/73/83/93/386738393.db2.gz OGMKNKJTNWSXKH-ZWNOBZJWSA-N 2 2 247.342 0.873 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000414929615 386740137 /nfs/dbraw/zinc/74/01/37/386740137.db2.gz OGMKNKJTNWSXKH-MFKMUULPSA-N 2 2 247.342 0.873 20 0 BCADLP C[C@@H](C[NH3+])C(=O)NCCNc1cccc[nH+]1 ZINC000645331513 386721940 /nfs/dbraw/zinc/72/19/40/386721940.db2.gz LJWAPHJHJHVFOT-VIFPVBQESA-N 2 2 222.292 0.205 20 0 BCADLP C[NH+](C)CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000334140658 386740820 /nfs/dbraw/zinc/74/08/20/386740820.db2.gz HQRMBRAJOWSWIY-SECBINFHSA-N 2 2 222.292 0.635 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000647908929 386791893 /nfs/dbraw/zinc/79/18/93/386791893.db2.gz UESUDYOPHCJZAR-GFCCVEGCSA-N 3 2 227.352 0.036 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000647908929 386791900 /nfs/dbraw/zinc/79/19/00/386791900.db2.gz UESUDYOPHCJZAR-GFCCVEGCSA-N 3 2 227.352 0.036 20 0 BCADLP CC[C@](C)([NH2+]CCn1cc[nH+]c1)C(=O)OC ZINC000293252943 386787291 /nfs/dbraw/zinc/78/72/91/386787291.db2.gz RNPUFJMHCQTTFT-NSHDSACASA-N 2 2 225.292 0.814 20 0 BCADLP C[C@H](C[NH2+][C@H](C)c1ccc(=O)[nH]n1)C[NH+](C)C ZINC000293344162 386806116 /nfs/dbraw/zinc/80/61/16/386806116.db2.gz GRWKKXLZTZVLDP-NXEZZACHSA-N 2 2 238.335 0.618 20 0 BCADLP CCOC[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000414935536 386807509 /nfs/dbraw/zinc/80/75/09/386807509.db2.gz UHBASUCLMZCAMF-DCAQKATOSA-N 2 2 200.326 0.999 20 0 BCADLP C[C@@H]1OCC[C@@H]1[N@H+](CCO)CCn1cc[nH+]c1 ZINC000330103647 386828277 /nfs/dbraw/zinc/82/82/77/386828277.db2.gz GLDVUWFRKNHXAL-RYUDHWBXSA-N 2 2 239.319 0.355 20 0 BCADLP C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CCn1cc[nH+]c1 ZINC000330103647 386828280 /nfs/dbraw/zinc/82/82/80/386828280.db2.gz GLDVUWFRKNHXAL-RYUDHWBXSA-N 2 2 239.319 0.355 20 0 BCADLP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000425339976 386838841 /nfs/dbraw/zinc/83/88/41/386838841.db2.gz DHBVEUNMRYBHPG-SDDRHHMPSA-N 2 2 243.420 0.716 20 0 BCADLP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000425339976 386838848 /nfs/dbraw/zinc/83/88/48/386838848.db2.gz DHBVEUNMRYBHPG-SDDRHHMPSA-N 2 2 243.420 0.716 20 0 BCADLP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000425339973 386840554 /nfs/dbraw/zinc/84/05/54/386840554.db2.gz DHBVEUNMRYBHPG-GRYCIOLGSA-N 2 2 243.420 0.716 20 0 BCADLP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000425339973 386840562 /nfs/dbraw/zinc/84/05/62/386840562.db2.gz DHBVEUNMRYBHPG-GRYCIOLGSA-N 2 2 243.420 0.716 20 0 BCADLP C[C@@H](C[NH2+]Cc1cnn(C)n1)Cn1cc[nH+]c1 ZINC000293585048 386843576 /nfs/dbraw/zinc/84/35/76/386843576.db2.gz NXTIPZLOAOJULV-JTQLQIEISA-N 2 2 234.307 0.438 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414938788 386858980 /nfs/dbraw/zinc/85/89/80/386858980.db2.gz FIJJRDZQPUQFQB-TUAOUCFPSA-N 3 2 211.353 0.716 20 0 BCADLP Cc1cc(NC(=O)N[C@H](C)[C@H](C)[NH3+])cc[nH+]1 ZINC000334826823 386862539 /nfs/dbraw/zinc/86/25/39/386862539.db2.gz XHYXNMULGNTLBI-DTWKUNHWSA-N 2 2 222.292 0.669 20 0 BCADLP Cc1cc(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc[nH+]1 ZINC000334826797 386863437 /nfs/dbraw/zinc/86/34/37/386863437.db2.gz WQJKQCNJNGBDRL-JOYOIKCWSA-N 2 2 248.330 0.931 20 0 BCADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]C1CCOCC1 ZINC000358154595 386897002 /nfs/dbraw/zinc/89/70/02/386897002.db2.gz KXBHEAAQELQYFG-LBPRGKRZSA-N 2 2 242.363 0.866 20 0 BCADLP Cn1ncnc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000331768196 386897802 /nfs/dbraw/zinc/89/78/02/386897802.db2.gz COUXIMHMQMICDO-JTQLQIEISA-N 2 2 246.318 0.918 20 0 BCADLP Cn1ncnc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000331768196 386897804 /nfs/dbraw/zinc/89/78/04/386897804.db2.gz COUXIMHMQMICDO-JTQLQIEISA-N 2 2 246.318 0.918 20 0 BCADLP CCc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)o1 ZINC000358140872 386898890 /nfs/dbraw/zinc/89/88/90/386898890.db2.gz PCYYPBJQYYZIRU-CYBMUJFWSA-N 2 2 238.331 0.998 20 0 BCADLP CCc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)o1 ZINC000358140872 386898895 /nfs/dbraw/zinc/89/88/95/386898895.db2.gz PCYYPBJQYYZIRU-CYBMUJFWSA-N 2 2 238.331 0.998 20 0 BCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cnn(C)c1 ZINC000330889835 386911586 /nfs/dbraw/zinc/91/15/86/386911586.db2.gz VQFORQQNXABONT-CMPLNLGQSA-N 2 2 238.335 0.137 20 0 BCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cnn(C)c1 ZINC000330889835 386911592 /nfs/dbraw/zinc/91/15/92/386911592.db2.gz VQFORQQNXABONT-CMPLNLGQSA-N 2 2 238.335 0.137 20 0 BCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccncc1 ZINC000358264127 386922763 /nfs/dbraw/zinc/92/27/63/386922763.db2.gz YJBOPYNPNHCHFC-AAEUAGOBSA-N 2 2 235.331 0.799 20 0 BCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccncc1 ZINC000358264127 386922767 /nfs/dbraw/zinc/92/27/67/386922767.db2.gz YJBOPYNPNHCHFC-AAEUAGOBSA-N 2 2 235.331 0.799 20 0 BCADLP Cc1n[nH]cc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000334866085 386924160 /nfs/dbraw/zinc/92/41/60/386924160.db2.gz WNUFTOJPYAWOEX-GZMMTYOYSA-N 2 2 208.309 0.806 20 0 BCADLP Cc1ccc(NC(=O)[C@@H]2C[NH2+]CCO2)c(C)[nH+]1 ZINC000094666124 386952667 /nfs/dbraw/zinc/95/26/67/386952667.db2.gz OGLRGCOKAMMYTJ-NSHDSACASA-N 2 2 235.287 0.625 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](CO)[C@@H]1C ZINC000395167118 386953637 /nfs/dbraw/zinc/95/36/37/386953637.db2.gz GHPWRJJOBWAKOT-JQWIXIFHSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](CO)[C@@H]1C ZINC000395167118 386953640 /nfs/dbraw/zinc/95/36/40/386953640.db2.gz GHPWRJJOBWAKOT-JQWIXIFHSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1cc(NC(=O)NCC(C)(C)[NH3+])cc[nH+]1 ZINC000334823432 386954043 /nfs/dbraw/zinc/95/40/43/386954043.db2.gz IJJLPXOULWETSW-UHFFFAOYSA-N 2 2 222.292 0.671 20 0 BCADLP Cc1cc(NC(=O)N2CCC[C@H]([NH3+])C2)cc[nH+]1 ZINC000334823416 386954759 /nfs/dbraw/zinc/95/47/59/386954759.db2.gz IBCNORCYTCIQIG-JTQLQIEISA-N 2 2 234.303 0.767 20 0 BCADLP CC(C)[C@H](O)C[N@@H+]1CCCC[C@H]1C(=[NH2+])NO ZINC000368390948 386968959 /nfs/dbraw/zinc/96/89/59/386968959.db2.gz CGIYDQWGWDHWFW-VHSXEESVSA-N 2 2 229.324 0.814 20 0 BCADLP CC(C)[C@H](O)C[N@H+]1CCCC[C@H]1C(=[NH2+])NO ZINC000368390948 386968968 /nfs/dbraw/zinc/96/89/68/386968968.db2.gz CGIYDQWGWDHWFW-VHSXEESVSA-N 2 2 229.324 0.814 20 0 BCADLP CC(C)[C@@H](O)C[N@@H+]1CCCC[C@H]1C(=[NH2+])NO ZINC000368390947 386969939 /nfs/dbraw/zinc/96/99/39/386969939.db2.gz CGIYDQWGWDHWFW-UWVGGRQHSA-N 2 2 229.324 0.814 20 0 BCADLP CC(C)[C@@H](O)C[N@H+]1CCCC[C@H]1C(=[NH2+])NO ZINC000368390947 386969942 /nfs/dbraw/zinc/96/99/42/386969942.db2.gz CGIYDQWGWDHWFW-UWVGGRQHSA-N 2 2 229.324 0.814 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)CC)C[C@@H](C)O1 ZINC000518995658 386978836 /nfs/dbraw/zinc/97/88/36/386978836.db2.gz DXLLQAJZMDKSAM-JHJVBQTASA-N 2 2 244.379 0.798 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)CC)C[C@@H](C)O1 ZINC000518995658 386978842 /nfs/dbraw/zinc/97/88/42/386978842.db2.gz DXLLQAJZMDKSAM-JHJVBQTASA-N 2 2 244.379 0.798 20 0 BCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)CC)C[C@@H](C)O1 ZINC000518995658 386978846 /nfs/dbraw/zinc/97/88/46/386978846.db2.gz DXLLQAJZMDKSAM-JHJVBQTASA-N 2 2 244.379 0.798 20 0 BCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)CC)C[C@@H](C)O1 ZINC000518995658 386978850 /nfs/dbraw/zinc/97/88/50/386978850.db2.gz DXLLQAJZMDKSAM-JHJVBQTASA-N 2 2 244.379 0.798 20 0 BCADLP CCC([NH3+])(CC)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368485169 386979419 /nfs/dbraw/zinc/97/94/19/386979419.db2.gz FNIASPDJPIPLCB-QMMMGPOBSA-N 2 2 249.305 0.617 20 0 BCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH+](C)C ZINC000331173090 386980901 /nfs/dbraw/zinc/98/09/01/386980901.db2.gz KFBSMROCAUWXLD-UHFFFAOYSA-N 2 2 224.308 0.031 20 0 BCADLP C[C@@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)[NH+](C)C ZINC000336745340 386984860 /nfs/dbraw/zinc/98/48/60/386984860.db2.gz QRSHMUTZSFNWMF-VHSXEESVSA-N 2 2 227.352 0.583 20 0 BCADLP Cc1cc(NC(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc[nH+]1 ZINC000334822829 386952021 /nfs/dbraw/zinc/95/20/21/386952021.db2.gz FUHWFPPMFFGFTB-GZMMTYOYSA-N 2 2 234.303 0.623 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000333463045 387037050 /nfs/dbraw/zinc/03/70/50/387037050.db2.gz GXDDRVLYHLVQBV-YVECIDJPSA-N 3 2 241.379 0.613 20 0 BCADLP Cc1cc(NC(=O)N(C)CCC[NH3+])cc[nH+]1 ZINC000514661231 387051927 /nfs/dbraw/zinc/05/19/27/387051927.db2.gz VUNAVEDETCRMFA-UHFFFAOYSA-N 2 2 222.292 0.624 20 0 BCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)NC1CC1 ZINC000333754543 387054261 /nfs/dbraw/zinc/05/42/61/387054261.db2.gz ZMZREUBEGLDKLX-VDDIYKPWSA-N 2 2 225.336 0.241 20 0 BCADLP Cc1n[nH]c(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)n1 ZINC000392390551 387057417 /nfs/dbraw/zinc/05/74/17/387057417.db2.gz UIDZUIPPQRVNIK-MWLCHTKSSA-N 2 2 237.351 0.776 20 0 BCADLP Cc1nc(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)n[nH]1 ZINC000392390551 387057420 /nfs/dbraw/zinc/05/74/20/387057420.db2.gz UIDZUIPPQRVNIK-MWLCHTKSSA-N 2 2 237.351 0.776 20 0 BCADLP CC(C)(O)C[N@@H+]1CC[NH2+]C[C@](C)(F)C1 ZINC000334974939 387059375 /nfs/dbraw/zinc/05/93/75/387059375.db2.gz VOZSONYQRWHHAL-JTQLQIEISA-N 2 2 204.289 0.391 20 0 BCADLP CC(C)(O)C[N@H+]1CC[NH2+]C[C@](C)(F)C1 ZINC000334974939 387059379 /nfs/dbraw/zinc/05/93/79/387059379.db2.gz VOZSONYQRWHHAL-JTQLQIEISA-N 2 2 204.289 0.391 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417398875 387016458 /nfs/dbraw/zinc/01/64/58/387016458.db2.gz IEPIHZNLKJDPJJ-XRRVDJEJSA-N 2 2 224.348 0.972 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417398875 387016461 /nfs/dbraw/zinc/01/64/61/387016461.db2.gz IEPIHZNLKJDPJJ-XRRVDJEJSA-N 2 2 224.348 0.972 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cnc2cnccn12 ZINC000333088410 387016733 /nfs/dbraw/zinc/01/67/33/387016733.db2.gz CANFJLBUFNBEPX-LLVKDONJSA-N 2 2 245.330 0.959 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417398873 387017068 /nfs/dbraw/zinc/01/70/68/387017068.db2.gz IEPIHZNLKJDPJJ-AAXDQBDMSA-N 2 2 224.348 0.972 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417398873 387017071 /nfs/dbraw/zinc/01/70/71/387017071.db2.gz IEPIHZNLKJDPJJ-AAXDQBDMSA-N 2 2 224.348 0.972 20 0 BCADLP CN(C)c1[nH+]cc(C[NH+]2CC(CCO)C2)n1C ZINC000425375404 387017265 /nfs/dbraw/zinc/01/72/65/387017265.db2.gz ZMCIVFLKUFXDOU-UHFFFAOYSA-N 2 2 238.335 0.300 20 0 BCADLP Cn1c[nH+]cc1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368965808 387021757 /nfs/dbraw/zinc/02/17/57/387021757.db2.gz MFFHNUXCWRQXBF-WCQGTBRESA-N 2 2 248.330 0.506 20 0 BCADLP Cn1c[nH+]cc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368965808 387021762 /nfs/dbraw/zinc/02/17/62/387021762.db2.gz MFFHNUXCWRQXBF-WCQGTBRESA-N 2 2 248.330 0.506 20 0 BCADLP [NH3+]CCCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000519152378 387022100 /nfs/dbraw/zinc/02/21/00/387022100.db2.gz SHNXLVGEQPGPGN-UHFFFAOYSA-N 2 2 249.305 0.429 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334982019 387069970 /nfs/dbraw/zinc/06/99/70/387069970.db2.gz XOCTUWCNQCFJJT-ZDUSSCGKSA-N 2 2 239.363 0.587 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334982019 387069975 /nfs/dbraw/zinc/06/99/75/387069975.db2.gz XOCTUWCNQCFJJT-ZDUSSCGKSA-N 2 2 239.363 0.587 20 0 BCADLP C[C@H]1C[N@H+](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000334988787 387077630 /nfs/dbraw/zinc/07/76/30/387077630.db2.gz SRDWVIYEIKOZJH-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000334988787 387077632 /nfs/dbraw/zinc/07/76/32/387077632.db2.gz SRDWVIYEIKOZJH-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP COC(=O)c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)[nH]1 ZINC000359457989 387105933 /nfs/dbraw/zinc/10/59/33/387105933.db2.gz JZVNUAPKIAUTMW-NXEZZACHSA-N 2 2 249.314 0.453 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335011199 387106475 /nfs/dbraw/zinc/10/64/75/387106475.db2.gz UVWQENOUVPKMJP-CMPLNLGQSA-N 2 2 226.320 0.623 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335011199 387106479 /nfs/dbraw/zinc/10/64/79/387106479.db2.gz UVWQENOUVPKMJP-CMPLNLGQSA-N 2 2 226.320 0.623 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335011200 387107148 /nfs/dbraw/zinc/10/71/48/387107148.db2.gz UVWQENOUVPKMJP-JQWIXIFHSA-N 2 2 226.320 0.623 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335011200 387107152 /nfs/dbraw/zinc/10/71/52/387107152.db2.gz UVWQENOUVPKMJP-JQWIXIFHSA-N 2 2 226.320 0.623 20 0 BCADLP COC(=O)c1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c[nH]1 ZINC000359469807 387107935 /nfs/dbraw/zinc/10/79/35/387107935.db2.gz BNSZRFHVGFTJMO-QWRGUYRKSA-N 2 2 249.314 0.453 20 0 BCADLP CC(C)(C)[C@@H](O)C[NH2+][C@H]1CCC[NH2+]C1 ZINC000324419746 387112024 /nfs/dbraw/zinc/11/20/24/387112024.db2.gz NATDIVUVCZBUFL-UWVGGRQHSA-N 2 2 200.326 0.735 20 0 BCADLP CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000324419748 387114252 /nfs/dbraw/zinc/11/42/52/387114252.db2.gz NATDIVUVCZBUFL-ZJUUUORDSA-N 2 2 200.326 0.735 20 0 BCADLP CC(C)[C@H](CO)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000229207622 387162842 /nfs/dbraw/zinc/16/28/42/387162842.db2.gz NSFSJGSFWSXHFK-WOPDTQHZSA-N 2 2 230.352 0.360 20 0 BCADLP C[NH+](C)C1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000120282691 387220100 /nfs/dbraw/zinc/22/01/00/387220100.db2.gz XNNKYCAQGYHZRL-GFCCVEGCSA-N 2 2 239.363 0.681 20 0 BCADLP CN(C)c1cc[nH+]cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000353516819 387221935 /nfs/dbraw/zinc/22/19/35/387221935.db2.gz MFQLEOAXGXVCJG-UHFFFAOYSA-N 2 2 245.286 0.801 20 0 BCADLP CN(C)c1cc[nH+]cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000353516819 387221941 /nfs/dbraw/zinc/22/19/41/387221941.db2.gz MFQLEOAXGXVCJG-UHFFFAOYSA-N 2 2 245.286 0.801 20 0 BCADLP C[C@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@@H](CO)O1 ZINC000230016814 387226394 /nfs/dbraw/zinc/22/63/94/387226394.db2.gz JNBGYNQFDXKSDT-RYUDHWBXSA-N 2 2 239.319 0.355 20 0 BCADLP C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@@H](CO)O1 ZINC000230016814 387226398 /nfs/dbraw/zinc/22/63/98/387226398.db2.gz JNBGYNQFDXKSDT-RYUDHWBXSA-N 2 2 239.319 0.355 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)[C@H]1C[C@H]1C ZINC000321468296 387232746 /nfs/dbraw/zinc/23/27/46/387232746.db2.gz DAOBZOZJAHILGB-NDBYEHHHSA-N 2 2 225.380 0.866 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)[C@H]1C[C@H]1C ZINC000321468296 387232754 /nfs/dbraw/zinc/23/27/54/387232754.db2.gz DAOBZOZJAHILGB-NDBYEHHHSA-N 2 2 225.380 0.866 20 0 BCADLP COC(=O)[C@@H]([NH2+]CCn1cc[nH+]c1C)C1CC1 ZINC000285210876 387249932 /nfs/dbraw/zinc/24/99/32/387249932.db2.gz XCTMUXLFUCYUJD-NSHDSACASA-N 2 2 237.303 0.733 20 0 BCADLP C[NH+](C)CC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000371376138 387201854 /nfs/dbraw/zinc/20/18/54/387201854.db2.gz XGYMGPWYEBJOFJ-ZDUSSCGKSA-N 2 2 247.342 0.851 20 0 BCADLP C[NH+](C)CC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000371376138 387201857 /nfs/dbraw/zinc/20/18/57/387201857.db2.gz XGYMGPWYEBJOFJ-ZDUSSCGKSA-N 2 2 247.342 0.851 20 0 BCADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000120772168 387268144 /nfs/dbraw/zinc/26/81/44/387268144.db2.gz SLCWWVDPRDIQFZ-UHFFFAOYSA-N 2 2 227.352 0.491 20 0 BCADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000120772168 387268158 /nfs/dbraw/zinc/26/81/58/387268158.db2.gz SLCWWVDPRDIQFZ-UHFFFAOYSA-N 2 2 227.352 0.491 20 0 BCADLP C[NH2+][C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000423387837 387271952 /nfs/dbraw/zinc/27/19/52/387271952.db2.gz KEWAWQUWCVOZFK-WHOHXGKFSA-N 3 2 213.369 0.913 20 0 BCADLP C[NH2+][C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000423387837 387271957 /nfs/dbraw/zinc/27/19/57/387271957.db2.gz KEWAWQUWCVOZFK-WHOHXGKFSA-N 3 2 213.369 0.913 20 0 BCADLP C[N@H+](CCC(C)(C)O)C1CC[NH+](CCO)CC1 ZINC000360456199 387288507 /nfs/dbraw/zinc/28/85/07/387288507.db2.gz QOZBWHASOASCRR-UHFFFAOYSA-N 2 2 244.379 0.536 20 0 BCADLP C[N@@H+](CCC(C)(C)O)C1CC[NH+](CCO)CC1 ZINC000360456199 387288511 /nfs/dbraw/zinc/28/85/11/387288511.db2.gz QOZBWHASOASCRR-UHFFFAOYSA-N 2 2 244.379 0.536 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000423443686 387293495 /nfs/dbraw/zinc/29/34/95/387293495.db2.gz XFUFBOFPLGYHOD-ZWNOBZJWSA-N 2 2 247.342 0.727 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccco1 ZINC000423527582 387356936 /nfs/dbraw/zinc/35/69/36/387356936.db2.gz RYPICNWBTUTLOT-NXEZZACHSA-N 2 2 210.277 0.919 20 0 BCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC[NH2+]C1CC1 ZINC000423554192 387372216 /nfs/dbraw/zinc/37/22/16/387372216.db2.gz LKRNSWLWSGEORK-AAEUAGOBSA-N 3 2 241.379 0.485 20 0 BCADLP COC[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)C1CCCC1 ZINC000423576013 387380232 /nfs/dbraw/zinc/38/02/32/387380232.db2.gz QVQPGSYMLZDUAU-CHWSQXEVSA-N 2 2 242.363 0.770 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423572704 387380864 /nfs/dbraw/zinc/38/08/64/387380864.db2.gz YOTFTBCJPDEFES-PWSUYJOCSA-N 3 2 211.353 0.716 20 0 BCADLP Cc1n[nH]cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000336503679 387328685 /nfs/dbraw/zinc/32/86/85/387328685.db2.gz QWVPUWYZGDGZTC-ZYHUDNBSSA-N 2 2 220.320 0.902 20 0 BCADLP Cc1n[nH]cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000336503679 387328690 /nfs/dbraw/zinc/32/86/90/387328690.db2.gz QWVPUWYZGDGZTC-ZYHUDNBSSA-N 2 2 220.320 0.902 20 0 BCADLP C[NH2+][C@@H](C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000515072442 387331890 /nfs/dbraw/zinc/33/18/90/387331890.db2.gz JWPGMIGJFNFFGX-UWVGGRQHSA-N 2 2 236.319 0.724 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC000336508962 387334626 /nfs/dbraw/zinc/33/46/26/387334626.db2.gz HIJHGCBTTAUQAY-WDEREUQCSA-N 2 2 225.336 0.149 20 0 BCADLP C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC000336508962 387334631 /nfs/dbraw/zinc/33/46/31/387334631.db2.gz HIJHGCBTTAUQAY-WDEREUQCSA-N 2 2 225.336 0.149 20 0 BCADLP CC1CC(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000515143076 387340348 /nfs/dbraw/zinc/34/03/48/387340348.db2.gz HTNXNLLQMIZUJA-VQXHTEKXSA-N 2 2 240.351 0.069 20 0 BCADLP CC1CC(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000515143076 387340352 /nfs/dbraw/zinc/34/03/52/387340352.db2.gz HTNXNLLQMIZUJA-VQXHTEKXSA-N 2 2 240.351 0.069 20 0 BCADLP COC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)C(C)C ZINC000423511669 387347203 /nfs/dbraw/zinc/34/72/03/387347203.db2.gz ATNGJFQXCIZSHH-QWRGUYRKSA-N 2 2 216.325 0.235 20 0 BCADLP Cc1ccnc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)c1 ZINC000423512715 387348056 /nfs/dbraw/zinc/34/80/56/387348056.db2.gz KYLRXWADRHVNGS-OLZOCXBDSA-N 2 2 248.374 0.944 20 0 BCADLP Cc1cncc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)c1 ZINC000423517096 387349814 /nfs/dbraw/zinc/34/98/14/387349814.db2.gz NYRASLOKDHJNIF-OCCSQVGLSA-N 2 2 248.374 0.944 20 0 BCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H]2COC[C@@H]2O)C1 ZINC000361307463 387437491 /nfs/dbraw/zinc/43/74/91/387437491.db2.gz GGPJAFCQFYPXSX-AVGNSLFASA-N 2 2 242.363 0.410 20 0 BCADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2COC[C@@H]2O)C1 ZINC000361307463 387437498 /nfs/dbraw/zinc/43/74/98/387437498.db2.gz GGPJAFCQFYPXSX-AVGNSLFASA-N 2 2 242.363 0.410 20 0 BCADLP CC[C@H]([NH3+])C(=O)N(C)Cc1[nH+]ccn1C ZINC000037823017 387449083 /nfs/dbraw/zinc/44/90/83/387449083.db2.gz JNLWSTBUZZZAAR-QMMMGPOBSA-N 2 2 210.281 0.116 20 0 BCADLP CSC[C@H](O)C[NH2+]CCCCn1cc[nH+]c1 ZINC000516050562 387452075 /nfs/dbraw/zinc/45/20/75/387452075.db2.gz WEMZRUHPQGUDPS-LLVKDONJSA-N 2 2 243.376 0.977 20 0 BCADLP Cc1[nH]c(C(=O)N[C@@H](C[NH3+])C(C)(C)C)c[nH+]1 ZINC000423947028 387456175 /nfs/dbraw/zinc/45/61/75/387456175.db2.gz DATQAQRKKPDFDB-VIFPVBQESA-N 2 2 224.308 0.821 20 0 BCADLP CS(=O)(=O)CCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000303620497 387385322 /nfs/dbraw/zinc/38/53/22/387385322.db2.gz CKULCEUAXZNFRK-NSHDSACASA-N 2 2 246.376 0.107 20 0 BCADLP CS(=O)(=O)CCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000303620497 387385325 /nfs/dbraw/zinc/38/53/25/387385325.db2.gz CKULCEUAXZNFRK-NSHDSACASA-N 2 2 246.376 0.107 20 0 BCADLP C[NH2+]CC[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000643504418 387417945 /nfs/dbraw/zinc/41/79/45/387417945.db2.gz HFFFSHUUCPUTRN-JTQLQIEISA-N 2 2 246.318 0.532 20 0 BCADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)[C@H]1CCC[NH2+]1 ZINC000643474907 387496551 /nfs/dbraw/zinc/49/65/51/387496551.db2.gz MDAMZZNTSZATSU-YVECIDJPSA-N 2 2 241.379 0.436 20 0 BCADLP COC[C@H](CCO)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000300410319 387519810 /nfs/dbraw/zinc/51/98/10/387519810.db2.gz GSNHCJQMVRARRD-SDDRHHMPSA-N 2 2 242.363 0.599 20 0 BCADLP COC[C@H](CCO)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000300410319 387519817 /nfs/dbraw/zinc/51/98/17/387519817.db2.gz GSNHCJQMVRARRD-SDDRHHMPSA-N 2 2 242.363 0.599 20 0 BCADLP CCN(C)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000355319565 387519887 /nfs/dbraw/zinc/51/98/87/387519887.db2.gz MNHIGXXAHPPZGK-LLVKDONJSA-N 2 2 227.352 0.348 20 0 BCADLP CCN(C)C(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000355319565 387519890 /nfs/dbraw/zinc/51/98/90/387519890.db2.gz MNHIGXXAHPPZGK-LLVKDONJSA-N 2 2 227.352 0.348 20 0 BCADLP CC(C)[N@H+](C)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000352829826 387540748 /nfs/dbraw/zinc/54/07/48/387540748.db2.gz QUIVBSDELPJXBD-UHFFFAOYSA-N 2 2 238.335 0.799 20 0 BCADLP CC(C)[N@@H+](C)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000352829826 387540754 /nfs/dbraw/zinc/54/07/54/387540754.db2.gz QUIVBSDELPJXBD-UHFFFAOYSA-N 2 2 238.335 0.799 20 0 BCADLP Cc1[nH]c(C(=O)NC(C)(C)CC[NH3+])c[nH+]1 ZINC000424044920 387470060 /nfs/dbraw/zinc/47/00/60/387470060.db2.gz GJPWNVQRPCYBGK-UHFFFAOYSA-N 2 2 210.281 0.575 20 0 BCADLP C[C@@H]1[C@H](C)N(Cc2[nH+]ccn2C)CC[N@H+]1C ZINC000336630654 387483311 /nfs/dbraw/zinc/48/33/11/387483311.db2.gz GMTNIQWKQUVRIH-MNOVXSKESA-N 2 2 222.336 0.945 20 0 BCADLP C[C@@H]1[C@H](C)N(Cc2[nH+]ccn2C)CC[N@@H+]1C ZINC000336630654 387483315 /nfs/dbraw/zinc/48/33/15/387483315.db2.gz GMTNIQWKQUVRIH-MNOVXSKESA-N 2 2 222.336 0.945 20 0 BCADLP Cc1ccc(CCC[N@H+]2C[C@@H](O)[C@@H](O)C2)c[nH+]1 ZINC000355144085 387486907 /nfs/dbraw/zinc/48/69/07/387486907.db2.gz CHXHHOSANQMWOY-BETUJISGSA-N 2 2 236.315 0.360 20 0 BCADLP Cc1ccc(CCC[N@@H+]2C[C@@H](O)[C@@H](O)C2)c[nH+]1 ZINC000355144085 387486912 /nfs/dbraw/zinc/48/69/12/387486912.db2.gz CHXHHOSANQMWOY-BETUJISGSA-N 2 2 236.315 0.360 20 0 BCADLP Cc1ccc(CCC[NH+]2C[C@@H](O)[C@H](O)C2)c[nH+]1 ZINC000355144087 387487052 /nfs/dbraw/zinc/48/70/52/387487052.db2.gz CHXHHOSANQMWOY-CHWSQXEVSA-N 2 2 236.315 0.360 20 0 BCADLP CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]2[NH3+])c[nH+]1 ZINC000424128303 387603264 /nfs/dbraw/zinc/60/32/64/387603264.db2.gz FEZFUSPDGRVWJC-ZJUUUORDSA-N 2 2 234.303 0.111 20 0 BCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000362396911 387608878 /nfs/dbraw/zinc/60/88/78/387608878.db2.gz FNDUINPODCQCTE-LBPRGKRZSA-N 2 2 241.379 0.738 20 0 BCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000362396911 387608880 /nfs/dbraw/zinc/60/88/80/387608880.db2.gz FNDUINPODCQCTE-LBPRGKRZSA-N 2 2 241.379 0.738 20 0 BCADLP CCN(C)C(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000362396911 387608887 /nfs/dbraw/zinc/60/88/87/387608887.db2.gz FNDUINPODCQCTE-LBPRGKRZSA-N 2 2 241.379 0.738 20 0 BCADLP CCN(C)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000362396911 387608893 /nfs/dbraw/zinc/60/88/93/387608893.db2.gz FNDUINPODCQCTE-LBPRGKRZSA-N 2 2 241.379 0.738 20 0 BCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC000362398560 387609011 /nfs/dbraw/zinc/60/90/11/387609011.db2.gz UIMXIRBXWBZSJI-LBPRGKRZSA-N 2 2 239.363 0.492 20 0 BCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC000362398560 387609013 /nfs/dbraw/zinc/60/90/13/387609013.db2.gz UIMXIRBXWBZSJI-LBPRGKRZSA-N 2 2 239.363 0.492 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC000362398560 387609017 /nfs/dbraw/zinc/60/90/17/387609017.db2.gz UIMXIRBXWBZSJI-LBPRGKRZSA-N 2 2 239.363 0.492 20 0 BCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC000362398560 387609020 /nfs/dbraw/zinc/60/90/20/387609020.db2.gz UIMXIRBXWBZSJI-LBPRGKRZSA-N 2 2 239.363 0.492 20 0 BCADLP C[NH2+]CCC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422631770 387610241 /nfs/dbraw/zinc/61/02/41/387610241.db2.gz FXICPZMPNUTUFC-TUAOUCFPSA-N 3 2 213.369 0.901 20 0 BCADLP C[NH2+]CCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422631770 387610244 /nfs/dbraw/zinc/61/02/44/387610244.db2.gz FXICPZMPNUTUFC-TUAOUCFPSA-N 3 2 213.369 0.901 20 0 BCADLP CC(C)CNC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430587078 387629296 /nfs/dbraw/zinc/62/92/96/387629296.db2.gz YAQRDSZRRQZLNW-LBPRGKRZSA-N 2 2 227.352 0.476 20 0 BCADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422687716 387612636 /nfs/dbraw/zinc/61/26/36/387612636.db2.gz BYKASLQYIHTPCT-YNEHKIRRSA-N 3 2 225.380 0.916 20 0 BCADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422687716 387612639 /nfs/dbraw/zinc/61/26/39/387612639.db2.gz BYKASLQYIHTPCT-YNEHKIRRSA-N 3 2 225.380 0.916 20 0 BCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000422707622 387620439 /nfs/dbraw/zinc/62/04/39/387620439.db2.gz WSOQINRXDDGKKF-OLZOCXBDSA-N 3 2 243.395 0.814 20 0 BCADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000422707622 387620441 /nfs/dbraw/zinc/62/04/41/387620441.db2.gz WSOQINRXDDGKKF-OLZOCXBDSA-N 3 2 243.395 0.814 20 0 BCADLP C[C@H]1CCC[N@H+](CCN2CCCC2=O)[C@H]1C[NH3+] ZINC000430582692 387629580 /nfs/dbraw/zinc/62/95/80/387629580.db2.gz WWQPFLJYJNKMTJ-RYUDHWBXSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@H]1CCC[N@@H+](CCN2CCCC2=O)[C@H]1C[NH3+] ZINC000430582692 387629584 /nfs/dbraw/zinc/62/95/84/387629584.db2.gz WWQPFLJYJNKMTJ-RYUDHWBXSA-N 2 2 239.363 0.668 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1COCCO1)[C@@H]1CCCC[NH2+]1 ZINC000422708558 387622482 /nfs/dbraw/zinc/62/24/82/387622482.db2.gz JDQQBVMYAYVZEV-WOPDTQHZSA-N 2 2 228.336 0.522 20 0 BCADLP C[C@@H]([NH2+]C[C@H]1COCCO1)[C@H]1CCCC[NH2+]1 ZINC000422708555 387623461 /nfs/dbraw/zinc/62/34/61/387623461.db2.gz JDQQBVMYAYVZEV-GRYCIOLGSA-N 2 2 228.336 0.522 20 0 BCADLP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@H]1CCC[NH2+]C1 ZINC000527534023 387627268 /nfs/dbraw/zinc/62/72/68/387627268.db2.gz ZCNXPCWUPHAEFK-NWDGAFQWSA-N 3 2 223.364 0.860 20 0 BCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cncc(F)c1 ZINC000305171229 387569133 /nfs/dbraw/zinc/56/91/33/387569133.db2.gz ZVUMWVLVIPLMGD-BXKDBHETSA-N 2 2 241.310 0.794 20 0 BCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NCC1CC1 ZINC000430556898 387628024 /nfs/dbraw/zinc/62/80/24/387628024.db2.gz LSAONUUOIDEEDY-GFCCVEGCSA-N 2 2 227.352 0.476 20 0 BCADLP CCC[C@H](O)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422718684 387630372 /nfs/dbraw/zinc/63/03/72/387630372.db2.gz XHGFSRFOKJXOKC-OUAUKWLOSA-N 2 2 200.326 0.735 20 0 BCADLP C[C@@](C[NH3+])([NH2+]CC(=O)NCC1CC1)C1CC1 ZINC000430581579 387630513 /nfs/dbraw/zinc/63/05/13/387630513.db2.gz ULCVWTQWDJBMKX-LBPRGKRZSA-N 2 2 225.336 0.230 20 0 BCADLP CC[N@H+](C)CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422718186 387630536 /nfs/dbraw/zinc/63/05/36/387630536.db2.gz PGTNJPUUJBFXEP-RYUDHWBXSA-N 3 2 213.369 0.916 20 0 BCADLP CC[N@@H+](C)CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422718186 387630539 /nfs/dbraw/zinc/63/05/39/387630539.db2.gz PGTNJPUUJBFXEP-RYUDHWBXSA-N 3 2 213.369 0.916 20 0 BCADLP CCC[C@H](O)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422718683 387631360 /nfs/dbraw/zinc/63/13/60/387631360.db2.gz XHGFSRFOKJXOKC-GARJFASQSA-N 2 2 200.326 0.735 20 0 BCADLP CC(C)(C)NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430585230 387631275 /nfs/dbraw/zinc/63/12/75/387631275.db2.gz RMDNQZOKWBFBDI-GFCCVEGCSA-N 2 2 227.352 0.618 20 0 BCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N(C)C1CC1 ZINC000430581986 387631443 /nfs/dbraw/zinc/63/14/43/387631443.db2.gz VPOQLDMNKCKTGD-LBPRGKRZSA-N 2 2 227.352 0.570 20 0 BCADLP C[C@H]([NH2+]CCN1CCOC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422720382 387633636 /nfs/dbraw/zinc/63/36/36/387633636.db2.gz SJXSRQYYWSHGNE-FRRDWIJNSA-N 2 2 241.379 0.437 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCN1CCCC1=O ZINC000430645791 387635009 /nfs/dbraw/zinc/63/50/09/387635009.db2.gz OITBDIDKACMQQB-RYUDHWBXSA-N 2 2 239.363 0.811 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCN1CCCC1=O ZINC000430645791 387635014 /nfs/dbraw/zinc/63/50/14/387635014.db2.gz OITBDIDKACMQQB-RYUDHWBXSA-N 2 2 239.363 0.811 20 0 BCADLP CC[NH+](CC)CCC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422726200 387636968 /nfs/dbraw/zinc/63/69/68/387636968.db2.gz DKHYTOXBCNKLIV-NSHDSACASA-N 3 2 213.369 0.916 20 0 BCADLP C[C@@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)[NH+](C)C ZINC000422734824 387644096 /nfs/dbraw/zinc/64/40/96/387644096.db2.gz CZZGNRMMELYPSI-WOPDTQHZSA-N 3 2 213.369 0.914 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)C[C@H](O)C(F)(F)F ZINC000305776747 387651056 /nfs/dbraw/zinc/65/10/56/387651056.db2.gz OVQMVOJZEHECAW-QMMMGPOBSA-N 2 2 237.225 0.738 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)C[C@H](O)C(F)(F)F ZINC000305776747 387651058 /nfs/dbraw/zinc/65/10/58/387651058.db2.gz OVQMVOJZEHECAW-QMMMGPOBSA-N 2 2 237.225 0.738 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@@H](O)[C@@H]2CCCO2)n1C ZINC000527757776 387695622 /nfs/dbraw/zinc/69/56/22/387695622.db2.gz ROOHDMNVQPRELY-NEPJUHHUSA-N 2 2 239.319 0.358 20 0 BCADLP CC(C)C(=O)NCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422756940 387660488 /nfs/dbraw/zinc/66/04/88/387660488.db2.gz MEMLHUPIUMBROS-QWRGUYRKSA-N 2 2 227.352 0.346 20 0 BCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)CC[C@@H]1[NH3+] ZINC000430916969 387660749 /nfs/dbraw/zinc/66/07/49/387660749.db2.gz IRKLDBHOICTIMI-PWSUYJOCSA-N 2 2 239.363 0.572 20 0 BCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)CC[C@@H]1[NH3+] ZINC000430916969 387660753 /nfs/dbraw/zinc/66/07/53/387660753.db2.gz IRKLDBHOICTIMI-PWSUYJOCSA-N 2 2 239.363 0.572 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)CCC(=O)NC1CCCC1 ZINC000430970214 387664968 /nfs/dbraw/zinc/66/49/68/387664968.db2.gz GNGPAJYTVYKOHH-SNVBAGLBSA-N 2 2 227.352 0.714 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)CCC(=O)NC1CCCC1 ZINC000430970214 387664970 /nfs/dbraw/zinc/66/49/70/387664970.db2.gz GNGPAJYTVYKOHH-SNVBAGLBSA-N 2 2 227.352 0.714 20 0 BCADLP NC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430959664 387666237 /nfs/dbraw/zinc/66/62/37/387666237.db2.gz CUTBMEXFKQZMPE-ZYHUDNBSSA-N 2 2 233.315 0.494 20 0 BCADLP NC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430959664 387666240 /nfs/dbraw/zinc/66/62/40/387666240.db2.gz CUTBMEXFKQZMPE-ZYHUDNBSSA-N 2 2 233.315 0.494 20 0 BCADLP CC[C@H]([NH3+])C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000431064798 387675147 /nfs/dbraw/zinc/67/51/47/387675147.db2.gz KPWAXEWIQCFRDH-NSHDSACASA-N 2 2 236.319 0.784 20 0 BCADLP CCn1nncc1C[NH2+]C1CC[NH+](C)CC1 ZINC000527729497 387680800 /nfs/dbraw/zinc/68/08/00/387680800.db2.gz XYZZKVQWTQVFMG-UHFFFAOYSA-N 2 2 223.324 0.482 20 0 BCADLP CC[C@H]1C[C@@H]([NH2+]CC[N@H+](CC)CCO)CCO1 ZINC000648524218 387742790 /nfs/dbraw/zinc/74/27/90/387742790.db2.gz WPKSYKYFHGEGTQ-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP CC[C@H]1C[C@@H]([NH2+]CC[N@@H+](CC)CCO)CCO1 ZINC000648524218 387742793 /nfs/dbraw/zinc/74/27/93/387742793.db2.gz WPKSYKYFHGEGTQ-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000527760316 387698376 /nfs/dbraw/zinc/69/83/76/387698376.db2.gz WYGFBZVOMLMRGX-NOOOWODRSA-N 2 2 228.336 0.066 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000527760316 387698382 /nfs/dbraw/zinc/69/83/82/387698382.db2.gz WYGFBZVOMLMRGX-NOOOWODRSA-N 2 2 228.336 0.066 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000527760320 387698824 /nfs/dbraw/zinc/69/88/24/387698824.db2.gz WYGFBZVOMLMRGX-RHYQMDGZSA-N 2 2 228.336 0.066 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000527760320 387698829 /nfs/dbraw/zinc/69/88/29/387698829.db2.gz WYGFBZVOMLMRGX-RHYQMDGZSA-N 2 2 228.336 0.066 20 0 BCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000422803646 387700998 /nfs/dbraw/zinc/70/09/98/387700998.db2.gz DEGLMPMLCDHNLQ-UWVGGRQHSA-N 2 2 227.352 0.489 20 0 BCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000422803647 387701792 /nfs/dbraw/zinc/70/17/92/387701792.db2.gz DEGLMPMLCDHNLQ-VHSXEESVSA-N 2 2 227.352 0.489 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422830242 387724370 /nfs/dbraw/zinc/72/43/70/387724370.db2.gz CJFRRCWRJYHVIQ-JQWIXIFHSA-N 3 2 222.336 0.779 20 0 BCADLP C1CC1[C@@H]([NH2+][C@@H]1CCCOC1)[C@@H]1C[NH2+]CCO1 ZINC000422858192 387740809 /nfs/dbraw/zinc/74/08/09/387740809.db2.gz HZJMTCUKTLYTIL-FRRDWIJNSA-N 2 2 240.347 0.522 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000422916864 387773368 /nfs/dbraw/zinc/77/33/68/387773368.db2.gz BTEKEDZEIRUYOI-CKYFFXLPSA-N 2 2 237.347 0.480 20 0 BCADLP C1CC1[C@@H]([NH2+]C1CCC1)[C@H]1C[NH2+]CCO1 ZINC000422960189 387812199 /nfs/dbraw/zinc/81/21/99/387812199.db2.gz VONKFBDJYSHJFJ-VXGBXAGGSA-N 2 2 210.321 0.896 20 0 BCADLP C1CC1[C@@H]([NH2+][C@@H]1CCSC1)[C@@H]1C[NH2+]CCO1 ZINC000422917639 387773634 /nfs/dbraw/zinc/77/36/34/387773634.db2.gz FJCKWOURBAATRW-GRYCIOLGSA-N 2 2 242.388 0.849 20 0 BCADLP CC(C)N1C[C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CC1=O ZINC000422918925 387775275 /nfs/dbraw/zinc/77/52/75/387775275.db2.gz IZTJYVHPDZEHQF-WOPDTQHZSA-N 2 2 239.363 0.726 20 0 BCADLP CC[C@H](CCO)[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422980382 387791032 /nfs/dbraw/zinc/79/10/32/387791032.db2.gz PGDBTXHSGPWLHK-FRRDWIJNSA-N 2 2 242.363 0.504 20 0 BCADLP CC[C@H](CCO)[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422980384 387792371 /nfs/dbraw/zinc/79/23/71/387792371.db2.gz PGDBTXHSGPWLHK-UPJWGTAASA-N 2 2 242.363 0.504 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@]1(O)CCSC1 ZINC000422991006 387800280 /nfs/dbraw/zinc/80/02/80/387800280.db2.gz CEABJHNHEXFHBP-MXWKQRLJSA-N 2 2 230.377 0.442 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000442655595 387809395 /nfs/dbraw/zinc/80/93/95/387809395.db2.gz CULLPKFCLDALQR-MNOVXSKESA-N 2 2 249.362 0.751 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000442655595 387809399 /nfs/dbraw/zinc/80/93/99/387809399.db2.gz CULLPKFCLDALQR-MNOVXSKESA-N 2 2 249.362 0.751 20 0 BCADLP COCC[C@@H](CO)[NH2+]Cc1c[nH+]c(C)n1C ZINC000521462416 387756765 /nfs/dbraw/zinc/75/67/65/387756765.db2.gz HXCRMHUNZHMZRU-JTQLQIEISA-N 2 2 227.308 0.216 20 0 BCADLP C1CC1[C@H]([NH2+]C1CCC1)[C@H]1C[NH2+]CCO1 ZINC000422960186 387811788 /nfs/dbraw/zinc/81/17/88/387811788.db2.gz VONKFBDJYSHJFJ-NEPJUHHUSA-N 2 2 210.321 0.896 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CC1(C[NH3+])CC1 ZINC000564080542 387820067 /nfs/dbraw/zinc/82/00/67/387820067.db2.gz KTTNBCKNCNRWOC-SNVBAGLBSA-N 2 2 236.319 0.517 20 0 BCADLP CC(C)COC[C@H](O)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422970847 387822064 /nfs/dbraw/zinc/82/20/64/387822064.db2.gz HDOKWFGDBYXLRN-XQQFMLRXSA-N 2 2 244.379 0.608 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1COC1 ZINC000528024101 387828259 /nfs/dbraw/zinc/82/82/59/387828259.db2.gz FMFUFAYPSOAZGQ-SKDRFNHKSA-N 2 2 210.321 0.705 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1COC1 ZINC000528024101 387828265 /nfs/dbraw/zinc/82/82/65/387828265.db2.gz FMFUFAYPSOAZGQ-SKDRFNHKSA-N 2 2 210.321 0.705 20 0 BCADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nnc(C2CC2)n1C ZINC000442760395 387834863 /nfs/dbraw/zinc/83/48/63/387834863.db2.gz NJJGDBCWJGDMBP-UWVGGRQHSA-N 2 2 249.362 0.862 20 0 BCADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nnc(C2CC2)n1C ZINC000442760395 387834864 /nfs/dbraw/zinc/83/48/64/387834864.db2.gz NJJGDBCWJGDMBP-UWVGGRQHSA-N 2 2 249.362 0.862 20 0 BCADLP OC[C@H](CC1CCCC1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000423033732 387848771 /nfs/dbraw/zinc/84/87/71/387848771.db2.gz ZVCBVUBUCTUYIW-NEPJUHHUSA-N 2 2 212.337 0.879 20 0 BCADLP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000423037158 387850577 /nfs/dbraw/zinc/85/05/77/387850577.db2.gz VLGQJHAKZAGNLG-FRRDWIJNSA-N 3 2 243.395 0.813 20 0 BCADLP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000423037158 387850580 /nfs/dbraw/zinc/85/05/80/387850580.db2.gz VLGQJHAKZAGNLG-FRRDWIJNSA-N 3 2 243.395 0.813 20 0 BCADLP CC[C@@H]([NH2+]CC(=O)NCC1CC1)[C@@H]1CCC[NH2+]1 ZINC000423037821 387851321 /nfs/dbraw/zinc/85/13/21/387851321.db2.gz CAUCDNOOQGRVLC-NEPJUHHUSA-N 2 2 239.363 0.633 20 0 BCADLP CCCC[C@@H]([NH3+])C(=O)N1CCn2cc[nH+]c2C1 ZINC000062254852 387851660 /nfs/dbraw/zinc/85/16/60/387851660.db2.gz KMXDCVATCUJEFB-SNVBAGLBSA-N 2 2 236.319 0.743 20 0 BCADLP CC(C)[C@@H](C[NH3+])C(=O)N1CCn2cc[nH+]c2C1 ZINC000062252352 387851808 /nfs/dbraw/zinc/85/18/08/387851808.db2.gz IFVPLKHXEMOTSU-SNVBAGLBSA-N 2 2 236.319 0.456 20 0 BCADLP CCn1cccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c1=O ZINC000433052307 387857355 /nfs/dbraw/zinc/85/73/55/387857355.db2.gz KVULBHSTPYMCRS-DGCLKSJQSA-N 2 2 249.358 0.908 20 0 BCADLP CCn1cccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c1=O ZINC000433052307 387857361 /nfs/dbraw/zinc/85/73/61/387857361.db2.gz KVULBHSTPYMCRS-DGCLKSJQSA-N 2 2 249.358 0.908 20 0 BCADLP CC(C)(O)CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423057973 387865694 /nfs/dbraw/zinc/86/56/94/387865694.db2.gz BDJDNYKHVJUTAE-NEPJUHHUSA-N 2 2 242.363 0.504 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000423066027 387869208 /nfs/dbraw/zinc/86/92/08/387869208.db2.gz VWDJWKGCCBTQJW-YTWAJWBKSA-N 2 2 212.337 0.733 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000442656081 387814321 /nfs/dbraw/zinc/81/43/21/387814321.db2.gz DLVYBSPEKWZWSI-NWDGAFQWSA-N 2 2 249.362 0.724 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000442656081 387814325 /nfs/dbraw/zinc/81/43/25/387814325.db2.gz DLVYBSPEKWZWSI-NWDGAFQWSA-N 2 2 249.362 0.724 20 0 BCADLP CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@@H](C)[NH3+])CC2 ZINC000442657746 387814597 /nfs/dbraw/zinc/81/45/97/387814597.db2.gz HPHUUMGTHHIVOZ-IJLUTSLNSA-N 2 2 242.363 0.586 20 0 BCADLP C[C@@H]([NH3+])C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000442662940 387816088 /nfs/dbraw/zinc/81/60/88/387816088.db2.gz GACPUAQXTOPNCL-SNVBAGLBSA-N 2 2 225.336 0.420 20 0 BCADLP CCn1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cn1 ZINC000194539303 387890226 /nfs/dbraw/zinc/89/02/26/387890226.db2.gz BFXNFGKFLLPXRK-BETUJISGSA-N 2 2 234.347 0.896 20 0 BCADLP CCn1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cn1 ZINC000194539303 387890231 /nfs/dbraw/zinc/89/02/31/387890231.db2.gz BFXNFGKFLLPXRK-BETUJISGSA-N 2 2 234.347 0.896 20 0 BCADLP CCn1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cn1 ZINC000194539303 387890237 /nfs/dbraw/zinc/89/02/37/387890237.db2.gz BFXNFGKFLLPXRK-BETUJISGSA-N 2 2 234.347 0.896 20 0 BCADLP CCn1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cn1 ZINC000194539303 387890238 /nfs/dbraw/zinc/89/02/38/387890238.db2.gz BFXNFGKFLLPXRK-BETUJISGSA-N 2 2 234.347 0.896 20 0 BCADLP CCn1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1=O ZINC000423085300 387880581 /nfs/dbraw/zinc/88/05/81/387880581.db2.gz JUKCXXRLHVETPE-DGCLKSJQSA-N 2 2 249.358 0.956 20 0 BCADLP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c(=O)n1C ZINC000423085544 387880831 /nfs/dbraw/zinc/88/08/31/387880831.db2.gz KEBMKQSARUODFZ-AAEUAGOBSA-N 2 2 249.358 0.924 20 0 BCADLP CC[C@H]1C[N@H+](CCN[C@H]2CC[NH2+]C2)CCO1 ZINC000423091154 387882566 /nfs/dbraw/zinc/88/25/66/387882566.db2.gz WVFYNNZUIGZXCN-RYUDHWBXSA-N 2 2 227.352 0.049 20 0 BCADLP CC[C@H]1C[N@@H+](CCN[C@H]2CC[NH2+]C2)CCO1 ZINC000423091154 387882569 /nfs/dbraw/zinc/88/25/69/387882569.db2.gz WVFYNNZUIGZXCN-RYUDHWBXSA-N 2 2 227.352 0.049 20 0 BCADLP CC[C@H]1CN(CC[NH2+][C@H]2CC[NH2+]C2)CCO1 ZINC000423091154 387882573 /nfs/dbraw/zinc/88/25/73/387882573.db2.gz WVFYNNZUIGZXCN-RYUDHWBXSA-N 2 2 227.352 0.049 20 0 BCADLP C[C@@H]([NH2+]C[C@H](O)C(F)F)[C@H]1CCCC[NH2+]1 ZINC000423096602 387886643 /nfs/dbraw/zinc/88/66/43/387886643.db2.gz PORWTDXRAVNKRV-HLTSFMKQSA-N 2 2 222.279 0.733 20 0 BCADLP CCN1C[C@H]([NH2+][C@H](C)c2c[nH+]ccc2N)CC1=O ZINC000423154916 387933679 /nfs/dbraw/zinc/93/36/79/387933679.db2.gz PPVZSKFQNDOZGJ-NXEZZACHSA-N 2 2 248.330 0.766 20 0 BCADLP CC[C@H]([NH2+][C@H](C)[C@H]1CCCC[NH2+]1)C(=O)NC ZINC000423157134 387936251 /nfs/dbraw/zinc/93/62/51/387936251.db2.gz AJXFHMHFTJNCIF-OUAUKWLOSA-N 2 2 227.352 0.631 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@@H]1NCC[N@H+]1CC=CCC1 ZINC000392248846 387945814 /nfs/dbraw/zinc/94/58/14/387945814.db2.gz SRTXUGMFAJZVCL-STQMWFEESA-N 2 2 223.364 0.965 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@@H]1NCC[N@@H+]1CC=CCC1 ZINC000392248846 387945819 /nfs/dbraw/zinc/94/58/19/387945819.db2.gz SRTXUGMFAJZVCL-STQMWFEESA-N 2 2 223.364 0.965 20 0 BCADLP COC[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000245450673 387949651 /nfs/dbraw/zinc/94/96/51/387949651.db2.gz OVVFYJSJNPDDFT-STQMWFEESA-N 2 2 242.363 0.675 20 0 BCADLP COC[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000245450673 387949653 /nfs/dbraw/zinc/94/96/53/387949653.db2.gz OVVFYJSJNPDDFT-STQMWFEESA-N 2 2 242.363 0.675 20 0 BCADLP COC[C@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)CCO1 ZINC000245592234 387963314 /nfs/dbraw/zinc/96/33/14/387963314.db2.gz GOYRUVRLYDBGOD-CHWSQXEVSA-N 2 2 242.363 0.818 20 0 BCADLP COC[C@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CCO1 ZINC000245592234 387963316 /nfs/dbraw/zinc/96/33/16/387963316.db2.gz GOYRUVRLYDBGOD-CHWSQXEVSA-N 2 2 242.363 0.818 20 0 BCADLP COC[C@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC000245592234 387963318 /nfs/dbraw/zinc/96/33/18/387963318.db2.gz GOYRUVRLYDBGOD-CHWSQXEVSA-N 2 2 242.363 0.818 20 0 BCADLP COC[C@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CCO1 ZINC000245592234 387963321 /nfs/dbraw/zinc/96/33/21/387963321.db2.gz GOYRUVRLYDBGOD-CHWSQXEVSA-N 2 2 242.363 0.818 20 0 BCADLP CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424333789 387978786 /nfs/dbraw/zinc/97/87/86/387978786.db2.gz MWSRUEQERAUULH-HBNTYKKESA-N 2 2 227.352 0.761 20 0 BCADLP CCS(=O)(=O)CC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252763586 135108295 /nfs/dbraw/zinc/10/82/95/135108295.db2.gz HNWBWCJYQTYOSD-VHSXEESVSA-N 2 2 234.365 0.090 20 0 BCADLP CCS(=O)(=O)CC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252763586 135108296 /nfs/dbraw/zinc/10/82/96/135108296.db2.gz HNWBWCJYQTYOSD-VHSXEESVSA-N 2 2 234.365 0.090 20 0 BCADLP C[C@H]1C[C@@H]1C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424383872 388001733 /nfs/dbraw/zinc/00/17/33/388001733.db2.gz UQUZBIZDGDTXSA-JULQROHOSA-N 2 2 234.347 0.803 20 0 BCADLP C[C@H]1C[C@@H]1C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424383872 388001737 /nfs/dbraw/zinc/00/17/37/388001737.db2.gz UQUZBIZDGDTXSA-JULQROHOSA-N 2 2 234.347 0.803 20 0 BCADLP CCS(=O)(=O)CC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000086886975 135101051 /nfs/dbraw/zinc/10/10/51/135101051.db2.gz JFDYADVEEUXVBQ-NXEZZACHSA-N 2 2 234.365 0.090 20 0 BCADLP CCS(=O)(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000086886975 135101052 /nfs/dbraw/zinc/10/10/52/135101052.db2.gz JFDYADVEEUXVBQ-NXEZZACHSA-N 2 2 234.365 0.090 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446397114 388018573 /nfs/dbraw/zinc/01/85/73/388018573.db2.gz OGGHBTAHNMBJMU-DTWKUNHWSA-N 2 2 240.282 0.079 20 0 BCADLP COCCN1CC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)C1 ZINC000423257922 388037918 /nfs/dbraw/zinc/03/79/18/388037918.db2.gz ASNHBGLNSFKRTQ-QWHCGFSZSA-N 2 2 243.395 0.670 20 0 BCADLP COC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1CCOCC1 ZINC000446822512 388041154 /nfs/dbraw/zinc/04/11/54/388041154.db2.gz XESVUEYRQNIFAW-WCQYABFASA-N 2 2 244.379 0.968 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000453264015 388028298 /nfs/dbraw/zinc/02/82/98/388028298.db2.gz MFXBHOYZIMPBGB-JHJVBQTASA-N 2 2 244.379 0.846 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000453264015 388028300 /nfs/dbraw/zinc/02/83/00/388028300.db2.gz MFXBHOYZIMPBGB-JHJVBQTASA-N 2 2 244.379 0.846 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])C2CC2)CN1C1CC1 ZINC000423275605 388056221 /nfs/dbraw/zinc/05/62/21/388056221.db2.gz LWQQIEXHVVTCPH-XWIASGKRSA-N 2 2 223.364 0.939 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])C2CC2)CN1C1CC1 ZINC000423275603 388056553 /nfs/dbraw/zinc/05/65/53/388056553.db2.gz LWQQIEXHVVTCPH-IRUJWGPZSA-N 2 2 223.364 0.939 20 0 BCADLP Cc1nsc(N2CC[NH+](CCC[NH3+])CC2)n1 ZINC000083647637 388056722 /nfs/dbraw/zinc/05/67/22/388056722.db2.gz GYVTTYPQXWUUFG-UHFFFAOYSA-N 2 2 241.364 0.317 20 0 BCADLP CCO[C@@H]1COC[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000453356505 388057310 /nfs/dbraw/zinc/05/73/10/388057310.db2.gz MSRJPJQSFMGOGQ-YVECIDJPSA-N 2 2 242.363 0.863 20 0 BCADLP CCO[C@@H]1COC[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000453356505 388057315 /nfs/dbraw/zinc/05/73/15/388057315.db2.gz MSRJPJQSFMGOGQ-YVECIDJPSA-N 2 2 242.363 0.863 20 0 BCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000083928460 388066542 /nfs/dbraw/zinc/06/65/42/388066542.db2.gz BWCLHJJDEXDOPZ-NSHDSACASA-N 2 2 248.330 0.516 20 0 BCADLP Cc1cnc(CC[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cn1 ZINC000453404756 388075083 /nfs/dbraw/zinc/07/50/83/388075083.db2.gz PSBUJIQDFHWMTD-GXFFZTMASA-N 2 2 234.347 0.867 20 0 BCADLP Cc1cnc(CC[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cn1 ZINC000453404756 388075085 /nfs/dbraw/zinc/07/50/85/388075085.db2.gz PSBUJIQDFHWMTD-GXFFZTMASA-N 2 2 234.347 0.867 20 0 BCADLP COC(C)(C)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336660182 388091746 /nfs/dbraw/zinc/09/17/46/388091746.db2.gz RJUMBSUWQKKUBQ-UWVGGRQHSA-N 2 2 200.326 0.951 20 0 BCADLP COC(C)(C)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336660182 388091747 /nfs/dbraw/zinc/09/17/47/388091747.db2.gz RJUMBSUWQKKUBQ-UWVGGRQHSA-N 2 2 200.326 0.951 20 0 BCADLP CCCCNC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638223 388105744 /nfs/dbraw/zinc/10/57/44/388105744.db2.gz IDJBUQOTTOIPIG-UHFFFAOYSA-N 2 2 229.368 0.819 20 0 BCADLP CCCCNC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638223 388105746 /nfs/dbraw/zinc/10/57/46/388105746.db2.gz IDJBUQOTTOIPIG-UHFFFAOYSA-N 2 2 229.368 0.819 20 0 BCADLP CC[N@H+](CCO)CC[NH2+][C@H]1CSC[C@H]1C ZINC000449251395 388163008 /nfs/dbraw/zinc/16/30/08/388163008.db2.gz RPCAXACPJWXPLL-MNOVXSKESA-N 2 2 232.393 0.642 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CSC[C@H]1C ZINC000449251395 388163009 /nfs/dbraw/zinc/16/30/09/388163009.db2.gz RPCAXACPJWXPLL-MNOVXSKESA-N 2 2 232.393 0.642 20 0 BCADLP CCC[NH2+][C@@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000646046144 388131348 /nfs/dbraw/zinc/13/13/48/388131348.db2.gz XIQHBQWMCCYUIQ-QMMMGPOBSA-N 2 2 210.281 0.414 20 0 BCADLP CCC[NH2+][C@@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000646046144 388131350 /nfs/dbraw/zinc/13/13/50/388131350.db2.gz XIQHBQWMCCYUIQ-QMMMGPOBSA-N 2 2 210.281 0.414 20 0 BCADLP CCC[NH2+][C@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000646046143 388131597 /nfs/dbraw/zinc/13/15/97/388131597.db2.gz XIQHBQWMCCYUIQ-MRVPVSSYSA-N 2 2 210.281 0.414 20 0 BCADLP CCC[NH2+][C@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000646046143 388131599 /nfs/dbraw/zinc/13/15/99/388131599.db2.gz XIQHBQWMCCYUIQ-MRVPVSSYSA-N 2 2 210.281 0.414 20 0 BCADLP CC[C@@H](COC)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449397305 388194032 /nfs/dbraw/zinc/19/40/32/388194032.db2.gz PCKYEUGBOIFJCB-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP CC[C@@H](COC)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449397305 388194035 /nfs/dbraw/zinc/19/40/35/388194035.db2.gz PCKYEUGBOIFJCB-QWHCGFSZSA-N 2 2 244.379 0.848 20 0 BCADLP CC[C@H](COC)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449397303 388194183 /nfs/dbraw/zinc/19/41/83/388194183.db2.gz PCKYEUGBOIFJCB-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP CC[C@H](COC)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449397303 388194186 /nfs/dbraw/zinc/19/41/86/388194186.db2.gz PCKYEUGBOIFJCB-CHWSQXEVSA-N 2 2 244.379 0.848 20 0 BCADLP CCOC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449396574 388194218 /nfs/dbraw/zinc/19/42/18/388194218.db2.gz SHNPKRRKSKPSOX-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP CCOC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449396574 388194220 /nfs/dbraw/zinc/19/42/20/388194220.db2.gz SHNPKRRKSKPSOX-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP COC1CC([NH2+][C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000449398234 388194394 /nfs/dbraw/zinc/19/43/94/388194394.db2.gz TZEHOEYRKHHFRV-HIFPTAJRSA-N 2 2 242.363 0.600 20 0 BCADLP COC1CC([NH2+][C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000449398234 388194395 /nfs/dbraw/zinc/19/43/95/388194395.db2.gz TZEHOEYRKHHFRV-HIFPTAJRSA-N 2 2 242.363 0.600 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCC(C)(C)CO ZINC000449409255 388197170 /nfs/dbraw/zinc/19/71/70/388197170.db2.gz SFDHBEUQVOYUFE-GHMZBOCLSA-N 2 2 214.353 0.935 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC(C)(C)CO ZINC000449409255 388197171 /nfs/dbraw/zinc/19/71/71/388197171.db2.gz SFDHBEUQVOYUFE-GHMZBOCLSA-N 2 2 214.353 0.935 20 0 BCADLP CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000449462756 388212162 /nfs/dbraw/zinc/21/21/62/388212162.db2.gz VQXUCBWIQBRIQF-FVCCEPFGSA-N 2 2 242.363 0.578 20 0 BCADLP CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000449462756 388212165 /nfs/dbraw/zinc/21/21/65/388212165.db2.gz VQXUCBWIQBRIQF-FVCCEPFGSA-N 2 2 242.363 0.578 20 0 BCADLP Cc1cc(C)c(CNC(=O)C[NH+](C)C)c[nH+]1 ZINC000456863171 388228446 /nfs/dbraw/zinc/22/84/46/388228446.db2.gz QVOCMBOGLSZTQA-UHFFFAOYSA-N 2 2 221.304 0.876 20 0 BCADLP C[NH+](C)CC=CC(=O)NCc1[nH]cc[nH+]1 ZINC000491873847 388325810 /nfs/dbraw/zinc/32/58/10/388325810.db2.gz UXPFOZDOMDXJPE-ARJAWSKDSA-N 2 2 208.265 0.144 20 0 BCADLP C[NH+](C)C/C=C\C(=O)NCc1[nH]cc[nH+]1 ZINC000491873847 388325811 /nfs/dbraw/zinc/32/58/11/388325811.db2.gz UXPFOZDOMDXJPE-ARJAWSKDSA-N 2 2 208.265 0.144 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)/C=C/C[NH+](C)C ZINC000491907138 388327059 /nfs/dbraw/zinc/32/70/59/388327059.db2.gz RJMPGKAHXJAIGS-SNAWJCMRSA-N 2 2 222.292 0.154 20 0 BCADLP CC(C)([NH3+])CC(=O)Nc1cc[nH+]cc1O ZINC000645952749 388267204 /nfs/dbraw/zinc/26/72/04/388267204.db2.gz NZOLDLQGARBBHH-UHFFFAOYSA-N 2 2 209.249 0.275 20 0 BCADLP COC[C@@H](C)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000163338843 388360559 /nfs/dbraw/zinc/36/05/59/388360559.db2.gz DGDACUNHUXIJOM-NWDGAFQWSA-N 2 2 229.368 0.104 20 0 BCADLP COC[C@@H](C)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000163338843 388360562 /nfs/dbraw/zinc/36/05/62/388360562.db2.gz DGDACUNHUXIJOM-NWDGAFQWSA-N 2 2 229.368 0.104 20 0 BCADLP C[C@H](O)C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572701957 388367895 /nfs/dbraw/zinc/36/78/95/388367895.db2.gz GPMVUYKOUWNGBX-SDDRHHMPSA-N 2 2 230.352 0.456 20 0 BCADLP C[C@H](O)C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572701957 388367897 /nfs/dbraw/zinc/36/78/97/388367897.db2.gz GPMVUYKOUWNGBX-SDDRHHMPSA-N 2 2 230.352 0.456 20 0 BCADLP C[C@H](O)C[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000572701956 388367949 /nfs/dbraw/zinc/36/79/49/388367949.db2.gz GPMVUYKOUWNGBX-QJPTWQEYSA-N 2 2 230.352 0.456 20 0 BCADLP C[C@@H](C(=O)N(C)Cc1[nH+]ccn1C)[C@H](C)[NH3+] ZINC000164367596 388377575 /nfs/dbraw/zinc/37/75/75/388377575.db2.gz SHFILEDQWYNWOW-BDAKNGLRSA-N 2 2 224.308 0.362 20 0 BCADLP C[C@H]([NH3+])[C@H](C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000164367466 388377908 /nfs/dbraw/zinc/37/79/08/388377908.db2.gz SHFILEDQWYNWOW-IUCAKERBSA-N 2 2 224.308 0.362 20 0 BCADLP CC[C@@H](CO)[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000308592801 388444192 /nfs/dbraw/zinc/44/41/92/388444192.db2.gz LBFFIVSYKJVSBC-VWYCJHECSA-N 2 2 200.326 0.687 20 0 BCADLP CC[C@@H](CO)[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000308592801 388444196 /nfs/dbraw/zinc/44/41/96/388444196.db2.gz LBFFIVSYKJVSBC-VWYCJHECSA-N 2 2 200.326 0.687 20 0 BCADLP CC[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)C(C)(C)O ZINC000394016397 388449312 /nfs/dbraw/zinc/44/93/12/388449312.db2.gz BGKJEPFOYQKTBE-UTUOFQBUSA-N 2 2 244.379 0.893 20 0 BCADLP CC[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)C(C)(C)O ZINC000394016399 388449356 /nfs/dbraw/zinc/44/93/56/388449356.db2.gz BGKJEPFOYQKTBE-WOPDTQHZSA-N 2 2 244.379 0.893 20 0 BCADLP Cn1c[nH+]cc1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000335308656 388450013 /nfs/dbraw/zinc/45/00/13/388450013.db2.gz PCCCEHVKAJBHMJ-KOLCDFICSA-N 2 2 206.293 0.214 20 0 BCADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCCC1 ZINC000335312133 388450019 /nfs/dbraw/zinc/45/00/19/388450019.db2.gz BTPJYJHURLKVMK-NWDGAFQWSA-N 2 2 237.347 0.293 20 0 BCADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCCC1 ZINC000335312133 388450021 /nfs/dbraw/zinc/45/00/21/388450021.db2.gz BTPJYJHURLKVMK-NWDGAFQWSA-N 2 2 237.347 0.293 20 0 BCADLP COC[C@@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000176912514 388467074 /nfs/dbraw/zinc/46/70/74/388467074.db2.gz KDSOYQJAZPQRPB-LBPRGKRZSA-N 2 2 239.319 0.527 20 0 BCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000245535974 388421907 /nfs/dbraw/zinc/42/19/07/388421907.db2.gz LBMSABPWOQZGLO-RYUDHWBXSA-N 2 2 239.363 0.491 20 0 BCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000245535974 388421910 /nfs/dbraw/zinc/42/19/10/388421910.db2.gz LBMSABPWOQZGLO-RYUDHWBXSA-N 2 2 239.363 0.491 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261538912 135177040 /nfs/dbraw/zinc/17/70/40/135177040.db2.gz ZTJOVSVJCRCSBW-NSHDSACASA-N 2 2 213.325 0.182 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261538912 135177042 /nfs/dbraw/zinc/17/70/42/135177042.db2.gz ZTJOVSVJCRCSBW-NSHDSACASA-N 2 2 213.325 0.182 20 0 BCADLP CC1(C)[C@H](O)C[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000166402259 388426822 /nfs/dbraw/zinc/42/68/22/388426822.db2.gz LODJXCMQYOIBDH-VHSXEESVSA-N 2 2 209.293 0.632 20 0 BCADLP C[NH+]1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000244310301 388490843 /nfs/dbraw/zinc/49/08/43/388490843.db2.gz XCYYJMWLRYAWTJ-UHFFFAOYSA-N 2 2 233.319 0.803 20 0 BCADLP Cn1nncc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347145725 388521850 /nfs/dbraw/zinc/52/18/50/388521850.db2.gz YCIGQGGJQIAZPQ-ZACCUICWSA-N 2 2 235.335 0.530 20 0 BCADLP Cn1nncc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347145725 388521852 /nfs/dbraw/zinc/52/18/52/388521852.db2.gz YCIGQGGJQIAZPQ-ZACCUICWSA-N 2 2 235.335 0.530 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](CO)C1 ZINC000347745880 388523889 /nfs/dbraw/zinc/52/38/89/388523889.db2.gz IXXVMYCXSLTJFA-JTQLQIEISA-N 2 2 209.293 0.277 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](CO)C1 ZINC000347745880 388523890 /nfs/dbraw/zinc/52/38/90/388523890.db2.gz IXXVMYCXSLTJFA-JTQLQIEISA-N 2 2 209.293 0.277 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H]1O ZINC000351714144 388533004 /nfs/dbraw/zinc/53/30/04/388533004.db2.gz ZLZULYQMLJVEBD-RAIGVLPGSA-N 2 2 242.363 0.144 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H]1O ZINC000351714144 388533007 /nfs/dbraw/zinc/53/30/07/388533007.db2.gz ZLZULYQMLJVEBD-RAIGVLPGSA-N 2 2 242.363 0.144 20 0 BCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@H]1O ZINC000351714144 388533010 /nfs/dbraw/zinc/53/30/10/388533010.db2.gz ZLZULYQMLJVEBD-RAIGVLPGSA-N 2 2 242.363 0.144 20 0 BCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@H]1O ZINC000351714144 388533013 /nfs/dbraw/zinc/53/30/13/388533013.db2.gz ZLZULYQMLJVEBD-RAIGVLPGSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@H](C[NH3+])C(=O)N(C)CCCn1cc[nH+]c1 ZINC000517028469 388533218 /nfs/dbraw/zinc/53/32/18/388533218.db2.gz GEPRIRKNGCBDOO-SNVBAGLBSA-N 2 2 224.308 0.326 20 0 BCADLP C[N@H+](C[C@@H](O)C[NH+]1C[C@H](O)C(C)(C)C1)C1CC1 ZINC000352349827 388535550 /nfs/dbraw/zinc/53/55/50/388535550.db2.gz NLYIATNZKXPSEW-NEPJUHHUSA-N 2 2 242.363 0.144 20 0 BCADLP C[N@@H+](C[C@@H](O)C[NH+]1C[C@H](O)C(C)(C)C1)C1CC1 ZINC000352349827 388535553 /nfs/dbraw/zinc/53/55/53/388535553.db2.gz NLYIATNZKXPSEW-NEPJUHHUSA-N 2 2 242.363 0.144 20 0 BCADLP C[NH+](C[C@@H](O)C[N@@H+]1C[C@H](O)C(C)(C)C1)C1CC1 ZINC000352349827 388535556 /nfs/dbraw/zinc/53/55/56/388535556.db2.gz NLYIATNZKXPSEW-NEPJUHHUSA-N 2 2 242.363 0.144 20 0 BCADLP C[NH+](C[C@@H](O)C[N@H+]1C[C@H](O)C(C)(C)C1)C1CC1 ZINC000352349827 388535559 /nfs/dbraw/zinc/53/55/59/388535559.db2.gz NLYIATNZKXPSEW-NEPJUHHUSA-N 2 2 242.363 0.144 20 0 BCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1C(N)=O ZINC000245572842 388590394 /nfs/dbraw/zinc/59/03/94/388590394.db2.gz HBDZGHMRDFRMAH-RYUDHWBXSA-N 2 2 239.363 0.811 20 0 BCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1C(N)=O ZINC000245572842 388590397 /nfs/dbraw/zinc/59/03/97/388590397.db2.gz HBDZGHMRDFRMAH-RYUDHWBXSA-N 2 2 239.363 0.811 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@H]1C(N)=O ZINC000245572842 388590398 /nfs/dbraw/zinc/59/03/98/388590398.db2.gz HBDZGHMRDFRMAH-RYUDHWBXSA-N 2 2 239.363 0.811 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@H]1C(N)=O ZINC000245572842 388590401 /nfs/dbraw/zinc/59/04/01/388590401.db2.gz HBDZGHMRDFRMAH-RYUDHWBXSA-N 2 2 239.363 0.811 20 0 BCADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC000245703023 388599921 /nfs/dbraw/zinc/59/99/21/388599921.db2.gz WEZSSIYXXZJOEJ-MNOVXSKESA-N 2 2 225.336 0.149 20 0 BCADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC000245703023 388599925 /nfs/dbraw/zinc/59/99/25/388599925.db2.gz WEZSSIYXXZJOEJ-MNOVXSKESA-N 2 2 225.336 0.149 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000245703023 388599927 /nfs/dbraw/zinc/59/99/27/388599927.db2.gz WEZSSIYXXZJOEJ-MNOVXSKESA-N 2 2 225.336 0.149 20 0 BCADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC000245703023 388599929 /nfs/dbraw/zinc/59/99/29/388599929.db2.gz WEZSSIYXXZJOEJ-MNOVXSKESA-N 2 2 225.336 0.149 20 0 BCADLP Cn1ccnc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000581100318 388571624 /nfs/dbraw/zinc/57/16/24/388571624.db2.gz LNXWQGJMDUNBDW-VIFPVBQESA-N 2 2 231.303 0.790 20 0 BCADLP Cn1ccnc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000581100318 388571628 /nfs/dbraw/zinc/57/16/28/388571628.db2.gz LNXWQGJMDUNBDW-VIFPVBQESA-N 2 2 231.303 0.790 20 0 BCADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC000081571304 388584070 /nfs/dbraw/zinc/58/40/70/388584070.db2.gz CODHQHCESVDQAG-WDEREUQCSA-N 2 2 227.352 0.524 20 0 BCADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC000081571304 388584072 /nfs/dbraw/zinc/58/40/72/388584072.db2.gz CODHQHCESVDQAG-WDEREUQCSA-N 2 2 227.352 0.524 20 0 BCADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC000081571304 388584073 /nfs/dbraw/zinc/58/40/73/388584073.db2.gz CODHQHCESVDQAG-WDEREUQCSA-N 2 2 227.352 0.524 20 0 BCADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC000081571304 388584074 /nfs/dbraw/zinc/58/40/74/388584074.db2.gz CODHQHCESVDQAG-WDEREUQCSA-N 2 2 227.352 0.524 20 0 BCADLP CO[C@@H]1C[N@H+](Cc2c[nH+]c[nH]2)[C@](C)(CO)C1 ZINC000630076254 388619342 /nfs/dbraw/zinc/61/93/42/388619342.db2.gz IVHOMPSOKPSVMA-QWRGUYRKSA-N 2 2 225.292 0.381 20 0 BCADLP CO[C@@H]1C[N@@H+](Cc2c[nH+]c[nH]2)[C@](C)(CO)C1 ZINC000630076254 388619345 /nfs/dbraw/zinc/61/93/45/388619345.db2.gz IVHOMPSOKPSVMA-QWRGUYRKSA-N 2 2 225.292 0.381 20 0 BCADLP COc1c(N)[nH+]cnc1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530179065 388621096 /nfs/dbraw/zinc/62/10/96/388621096.db2.gz LGFCWWBRJZHREN-MRVPVSSYSA-N 2 2 249.318 0.764 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@H]1COCC[NH2+]1 ZINC000530181716 388622509 /nfs/dbraw/zinc/62/25/09/388622509.db2.gz MTLUUIVYUIGJQF-NTZNESFSSA-N 2 2 239.363 0.047 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@H]1COCC[NH2+]1 ZINC000530181716 388622510 /nfs/dbraw/zinc/62/25/10/388622510.db2.gz MTLUUIVYUIGJQF-NTZNESFSSA-N 2 2 239.363 0.047 20 0 BCADLP C[C@@H]1C[C@H](NC[C@H]2COCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000530181259 388622520 /nfs/dbraw/zinc/62/25/20/388622520.db2.gz JFOXUHOAQZFFDM-WOPDTQHZSA-N 2 2 239.363 0.190 20 0 BCADLP C[C@@H]1C[C@H](NC[C@H]2COCC[NH2+]2)C[N@H+]1C1CC1 ZINC000530181259 388622522 /nfs/dbraw/zinc/62/25/22/388622522.db2.gz JFOXUHOAQZFFDM-WOPDTQHZSA-N 2 2 239.363 0.190 20 0 BCADLP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530215270 388629044 /nfs/dbraw/zinc/62/90/44/388629044.db2.gz GEMCMHPJBDTRCF-HBNTYKKESA-N 3 2 211.353 0.986 20 0 BCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](C)O ZINC000521863214 388636004 /nfs/dbraw/zinc/63/60/04/388636004.db2.gz TWWTWRNJHDQNQQ-WDEREUQCSA-N 2 2 216.325 0.068 20 0 BCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](C)O ZINC000521863214 388636006 /nfs/dbraw/zinc/63/60/06/388636006.db2.gz TWWTWRNJHDQNQQ-WDEREUQCSA-N 2 2 216.325 0.068 20 0 BCADLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000149584455 388684767 /nfs/dbraw/zinc/68/47/67/388684767.db2.gz OFOFQLCMTNDASH-ZDUSSCGKSA-N 2 2 219.332 0.761 20 0 BCADLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000149584455 388684771 /nfs/dbraw/zinc/68/47/71/388684771.db2.gz OFOFQLCMTNDASH-ZDUSSCGKSA-N 2 2 219.332 0.761 20 0 BCADLP C[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530244836 388639268 /nfs/dbraw/zinc/63/92/68/388639268.db2.gz QTPVRPWEAPSFJK-PWSUYJOCSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000530244836 388639269 /nfs/dbraw/zinc/63/92/69/388639269.db2.gz QTPVRPWEAPSFJK-PWSUYJOCSA-N 2 2 212.337 0.974 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC)[C@@H](C)C1 ZINC000246897315 388654820 /nfs/dbraw/zinc/65/48/20/388654820.db2.gz RHJAUYJBMBAXGV-WDEREUQCSA-N 2 2 227.352 0.395 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC)[C@@H](C)C1 ZINC000246897315 388654824 /nfs/dbraw/zinc/65/48/24/388654824.db2.gz RHJAUYJBMBAXGV-WDEREUQCSA-N 2 2 227.352 0.395 20 0 BCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC)[C@@H](C)C1 ZINC000246897315 388654826 /nfs/dbraw/zinc/65/48/26/388654826.db2.gz RHJAUYJBMBAXGV-WDEREUQCSA-N 2 2 227.352 0.395 20 0 BCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC)[C@@H](C)C1 ZINC000246897315 388654829 /nfs/dbraw/zinc/65/48/29/388654829.db2.gz RHJAUYJBMBAXGV-WDEREUQCSA-N 2 2 227.352 0.395 20 0 BCADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000191482125 388664502 /nfs/dbraw/zinc/66/45/02/388664502.db2.gz FRVPAYMLLTYZGC-NSHDSACASA-N 2 2 227.352 0.668 20 0 BCADLP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000191482125 388664505 /nfs/dbraw/zinc/66/45/05/388664505.db2.gz FRVPAYMLLTYZGC-NSHDSACASA-N 2 2 227.352 0.668 20 0 BCADLP CC(C)[N@@H+](C)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000522258069 388737484 /nfs/dbraw/zinc/73/74/84/388737484.db2.gz YVSRXSJZHIZYQR-UHFFFAOYSA-N 2 2 236.319 0.607 20 0 BCADLP C/C=C/C=C\C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000250632338 388738300 /nfs/dbraw/zinc/73/83/00/388738300.db2.gz DGJPTZDJALYJEB-TYGHSQKFSA-N 2 2 223.320 0.220 20 0 BCADLP C/C=C/C=C\C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000250632338 388738301 /nfs/dbraw/zinc/73/83/01/388738301.db2.gz DGJPTZDJALYJEB-TYGHSQKFSA-N 2 2 223.320 0.220 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000522258543 388738865 /nfs/dbraw/zinc/73/88/65/388738865.db2.gz LQZKMEABRYEGRP-LLVKDONJSA-N 2 2 234.303 0.361 20 0 BCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000522258543 388738867 /nfs/dbraw/zinc/73/88/67/388738867.db2.gz LQZKMEABRYEGRP-LLVKDONJSA-N 2 2 234.303 0.361 20 0 BCADLP COC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000251744852 388752322 /nfs/dbraw/zinc/75/23/22/388752322.db2.gz RSXYPMZQFCFUPV-WDEREUQCSA-N 2 2 200.326 0.953 20 0 BCADLP COC[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000251744852 388752324 /nfs/dbraw/zinc/75/23/24/388752324.db2.gz RSXYPMZQFCFUPV-WDEREUQCSA-N 2 2 200.326 0.953 20 0 BCADLP CC(=O)NCC1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000226306952 388714352 /nfs/dbraw/zinc/71/43/52/388714352.db2.gz XNQILQKMLMQUEL-VIFPVBQESA-N 2 2 213.325 0.182 20 0 BCADLP C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C[N@@H+]1C1CC1 ZINC000555228184 388843635 /nfs/dbraw/zinc/84/36/35/388843635.db2.gz UYGDGDXKFIIGHQ-MNOVXSKESA-N 2 2 248.330 0.625 20 0 BCADLP C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C[N@H+]1C1CC1 ZINC000555228184 388843639 /nfs/dbraw/zinc/84/36/39/388843639.db2.gz UYGDGDXKFIIGHQ-MNOVXSKESA-N 2 2 248.330 0.625 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000284922711 388833388 /nfs/dbraw/zinc/83/33/88/388833388.db2.gz VNYMTXYSHLEHTE-KOLCDFICSA-N 2 2 235.287 0.705 20 0 BCADLP C[C@@H]1CN(c2cc[nH+]cc2C(N)=O)C[C@H](C)[N@H+]1C ZINC000555219773 388842255 /nfs/dbraw/zinc/84/22/55/388842255.db2.gz FAJIBKUVWKLWQK-AOOOYVTPSA-N 2 2 248.330 0.709 20 0 BCADLP C[C@@H]1CN(c2cc[nH+]cc2C(N)=O)C[C@H](C)[N@@H+]1C ZINC000555219773 388842259 /nfs/dbraw/zinc/84/22/59/388842259.db2.gz FAJIBKUVWKLWQK-AOOOYVTPSA-N 2 2 248.330 0.709 20 0 BCADLP C[C@@H]1[C@H](C(=O)N(C)Cc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000648775921 388863040 /nfs/dbraw/zinc/86/30/40/388863040.db2.gz ANLFTRYSUPRKQR-NXEZZACHSA-N 2 2 236.319 0.708 20 0 BCADLP C[C@@H]1[C@H](C(=O)N(C)Cc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000648775921 388863042 /nfs/dbraw/zinc/86/30/42/388863042.db2.gz ANLFTRYSUPRKQR-NXEZZACHSA-N 2 2 236.319 0.708 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)CC[N@@H+]1C ZINC000129662334 388863157 /nfs/dbraw/zinc/86/31/57/388863157.db2.gz OYTGZFIXSMDBGO-RYUDHWBXSA-N 3 2 222.336 0.955 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)CC[N@H+]1C ZINC000129662334 388863158 /nfs/dbraw/zinc/86/31/58/388863158.db2.gz OYTGZFIXSMDBGO-RYUDHWBXSA-N 3 2 222.336 0.955 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000564822561 388891918 /nfs/dbraw/zinc/89/19/18/388891918.db2.gz FAGWRGXNQJOJCL-VHSXEESVSA-N 2 2 235.335 0.899 20 0 BCADLP Cc1ccc2[nH+]c(CN(C)C[C@H](O)C[NH3+])cn2c1 ZINC000310938350 388877299 /nfs/dbraw/zinc/87/72/99/388877299.db2.gz IYNLOVBTBNNIHA-GFCCVEGCSA-N 2 2 248.330 0.394 20 0 BCADLP C[C@H](c1nnnn1C)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000564989268 388905739 /nfs/dbraw/zinc/90/57/39/388905739.db2.gz WWVRNSROOQAKKG-IVZWLZJFSA-N 2 2 238.339 0.330 20 0 BCADLP C[C@H](c1nnnn1C)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000564989268 388905741 /nfs/dbraw/zinc/90/57/41/388905741.db2.gz WWVRNSROOQAKKG-IVZWLZJFSA-N 2 2 238.339 0.330 20 0 BCADLP [NH3+]CCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000565045771 388911546 /nfs/dbraw/zinc/91/15/46/388911546.db2.gz FZCRPHKAMLRHGE-UHFFFAOYSA-N 3 2 208.309 0.938 20 0 BCADLP CNC(=O)[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)C(C)C ZINC000565237679 388930526 /nfs/dbraw/zinc/93/05/26/388930526.db2.gz KLRAWUUBOYEWGY-NSHDSACASA-N 2 2 238.335 0.589 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@]2(C)CCC(=O)N2)n1C ZINC000565242564 388931349 /nfs/dbraw/zinc/93/13/49/388931349.db2.gz PBTNMWPNTOSYQA-LBPRGKRZSA-N 2 2 236.319 0.487 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000566088500 388985077 /nfs/dbraw/zinc/98/50/77/388985077.db2.gz VWGIKLKQWWXDEO-PWSUYJOCSA-N 3 2 211.353 0.526 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000566088500 388985074 /nfs/dbraw/zinc/98/50/74/388985074.db2.gz VWGIKLKQWWXDEO-PWSUYJOCSA-N 3 2 211.353 0.526 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C[NH2+]CC1CC1 ZINC000269265488 389008036 /nfs/dbraw/zinc/00/80/36/389008036.db2.gz PAJAYCPHDHGYRJ-UHFFFAOYSA-N 2 2 222.292 0.334 20 0 BCADLP CC[C@H]1C[N@@H+](CCn2cc[nH+]c2C)C[C@H]1O ZINC000270944734 389015997 /nfs/dbraw/zinc/01/59/97/389015997.db2.gz ZHCCOJCDIVIUHZ-NWDGAFQWSA-N 2 2 223.320 0.894 20 0 BCADLP CC[C@H]1C[N@H+](CCn2cc[nH+]c2C)C[C@H]1O ZINC000270944734 389015990 /nfs/dbraw/zinc/01/59/90/389015990.db2.gz ZHCCOJCDIVIUHZ-NWDGAFQWSA-N 2 2 223.320 0.894 20 0 BCADLP Cc1nc(N2CC[N@H+](C)C[C@H]2C)cc[nH+]1 ZINC000361023501 132279470 /nfs/dbraw/zinc/27/94/70/132279470.db2.gz WJGRMPAGYIDVBM-SECBINFHSA-N 2 2 206.293 0.925 20 0 BCADLP CC(C)[C@H](CCO)[NH2+]CCn1cc[nH+]c1 ZINC000274633314 389047959 /nfs/dbraw/zinc/04/79/59/389047959.db2.gz WVEFNZLSWNAYLU-NSHDSACASA-N 2 2 211.309 0.880 20 0 BCADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cn[nH]c1 ZINC000275155252 389054412 /nfs/dbraw/zinc/05/44/12/389054412.db2.gz HQBWTIHCUMUXEJ-SECBINFHSA-N 2 2 205.265 0.957 20 0 BCADLP Cc1nc(N2CC[NH2+]CC2)c(C)c(C)[nH+]1 ZINC000045950763 132299307 /nfs/dbraw/zinc/29/93/07/132299307.db2.gz AMMCGEWBKTZBTK-UHFFFAOYSA-N 2 2 206.293 0.811 20 0 BCADLP OCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000037250434 132343970 /nfs/dbraw/zinc/34/39/70/132343970.db2.gz OGAIYXAZJUNXNP-UHFFFAOYSA-N 2 2 221.304 0.632 20 0 BCADLP Cc1cccc(N2CC[NH+](C[C@@H](C)O)CC2)[nH+]1 ZINC000275786291 132205152 /nfs/dbraw/zinc/20/51/52/132205152.db2.gz IMUZERHOEODMSK-GFCCVEGCSA-N 2 2 235.331 0.893 20 0 BCADLP Cc1nc(N2CC[N@@H+](C)C[C@H]2C)cc[nH+]1 ZINC000361023501 132279469 /nfs/dbraw/zinc/27/94/69/132279469.db2.gz WJGRMPAGYIDVBM-SECBINFHSA-N 2 2 206.293 0.925 20 0 BCADLP Cc1cc(N2CC[N@@H+]3CCOC[C@H]3C2)nc(C)[nH+]1 ZINC000371804302 132285488 /nfs/dbraw/zinc/28/54/88/132285488.db2.gz WGPNJFUKXQFXBW-GFCCVEGCSA-N 2 2 248.330 0.614 20 0 BCADLP Cc1cc(N2CC[N@H+]3CCOC[C@H]3C2)nc(C)[nH+]1 ZINC000371804302 132285489 /nfs/dbraw/zinc/28/54/89/132285489.db2.gz WGPNJFUKXQFXBW-GFCCVEGCSA-N 2 2 248.330 0.614 20 0 BCADLP C[NH2+]C1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000040726712 132348515 /nfs/dbraw/zinc/34/85/15/132348515.db2.gz MZBSGQLYDGNUNX-UHFFFAOYSA-N 2 2 206.293 0.973 20 0 BCADLP Cn1ncc2c1nc[nH+]c2N1CCC(C[NH3+])CC1 ZINC000044514612 132354465 /nfs/dbraw/zinc/35/44/65/132354465.db2.gz OUQLPSQKADETMG-UHFFFAOYSA-N 2 2 246.318 0.538 20 0 BCADLP Cc1nc(N2C[C@@H](C)[NH2+][C@@H](C)C2)cc[nH+]1 ZINC000054935539 132365178 /nfs/dbraw/zinc/36/51/78/132365178.db2.gz RNTCQHJSCRLDTK-DTORHVGOSA-N 2 2 206.293 0.972 20 0 BCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1CC[NH+]1CCOCC1 ZINC000351933168 134014345 /nfs/dbraw/zinc/01/43/45/134014345.db2.gz AJRCKWRQUXNACV-STQMWFEESA-N 2 2 241.379 0.343 20 0 BCADLP C[NH2+]C1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000336128119 134093776 /nfs/dbraw/zinc/09/37/76/134093776.db2.gz PKJREFITIFVEEH-GFCCVEGCSA-N 2 2 237.347 0.434 20 0 BCADLP Cc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c(=O)n1C ZINC000336215204 134135958 /nfs/dbraw/zinc/13/59/58/134135958.db2.gz GCDVVVNERSQFKR-GXFFZTMASA-N 2 2 249.358 0.733 20 0 BCADLP Cc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c(=O)n1C ZINC000336215204 134135959 /nfs/dbraw/zinc/13/59/59/134135959.db2.gz GCDVVVNERSQFKR-GXFFZTMASA-N 2 2 249.358 0.733 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2nccn2C)C1 ZINC000168554927 134226034 /nfs/dbraw/zinc/22/60/34/134226034.db2.gz CHIYJLYQJNNKAA-NXEZZACHSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC000168554927 134226035 /nfs/dbraw/zinc/22/60/35/134226035.db2.gz CHIYJLYQJNNKAA-NXEZZACHSA-N 2 2 208.309 0.589 20 0 BCADLP CCNC(=O)C[NH2+]Cc1c[nH+]cn1C(C)C ZINC000085187888 134248247 /nfs/dbraw/zinc/24/82/47/134248247.db2.gz HQOQZYRTSZPLQN-UHFFFAOYSA-N 2 2 224.308 0.690 20 0 BCADLP C[C@H]([NH3+])C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000169809072 134251820 /nfs/dbraw/zinc/25/18/20/134251820.db2.gz VTDNHDXCPNXHBR-QMMMGPOBSA-N 2 2 222.292 0.463 20 0 BCADLP C[C@@H]([NH3+])C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000169809071 134251829 /nfs/dbraw/zinc/25/18/29/134251829.db2.gz VTDNHDXCPNXHBR-MRVPVSSYSA-N 2 2 222.292 0.463 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000219024260 134273603 /nfs/dbraw/zinc/27/36/03/134273603.db2.gz XXEZYIQFSVXGBX-RYUDHWBXSA-N 2 2 241.379 0.818 20 0 BCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000219024260 134273604 /nfs/dbraw/zinc/27/36/04/134273604.db2.gz XXEZYIQFSVXGBX-RYUDHWBXSA-N 2 2 241.379 0.818 20 0 BCADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC)C1 ZINC000177033449 134293736 /nfs/dbraw/zinc/29/37/36/134293736.db2.gz UWDPPBLLHORTNS-LLVKDONJSA-N 2 2 227.352 0.396 20 0 BCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC)C1 ZINC000177033449 134293737 /nfs/dbraw/zinc/29/37/37/134293737.db2.gz UWDPPBLLHORTNS-LLVKDONJSA-N 2 2 227.352 0.396 20 0 BCADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC000177033449 134293738 /nfs/dbraw/zinc/29/37/38/134293738.db2.gz UWDPPBLLHORTNS-LLVKDONJSA-N 2 2 227.352 0.396 20 0 BCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC000177033449 134293739 /nfs/dbraw/zinc/29/37/39/134293739.db2.gz UWDPPBLLHORTNS-LLVKDONJSA-N 2 2 227.352 0.396 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000221467427 134325009 /nfs/dbraw/zinc/32/50/09/134325009.db2.gz ANHSKDLYYFSSEE-NWDGAFQWSA-N 2 2 248.330 0.484 20 0 BCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(C[NH3+])o1 ZINC000226402284 134365369 /nfs/dbraw/zinc/36/53/69/134365369.db2.gz AFUBEJXUYKQGPE-SECBINFHSA-N 2 2 237.303 0.514 20 0 BCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C[NH3+])o1 ZINC000226402284 134365370 /nfs/dbraw/zinc/36/53/70/134365370.db2.gz AFUBEJXUYKQGPE-SECBINFHSA-N 2 2 237.303 0.514 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000227398265 134379195 /nfs/dbraw/zinc/37/91/95/134379195.db2.gz ZNEVYRBKBUVCLV-ZYHUDNBSSA-N 2 2 239.319 0.273 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000227398265 134379196 /nfs/dbraw/zinc/37/91/96/134379196.db2.gz ZNEVYRBKBUVCLV-ZYHUDNBSSA-N 2 2 239.319 0.273 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cn(C)nn1 ZINC000054860386 134389063 /nfs/dbraw/zinc/38/90/63/134389063.db2.gz XAGCEUWWZNEMMP-SECBINFHSA-N 2 2 220.280 0.190 20 0 BCADLP CC(C)[C@](C)(O)C[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000248430987 135009820 /nfs/dbraw/zinc/00/98/20/135009820.db2.gz WXHWIVCTRUXBSA-QWHCGFSZSA-N 2 2 244.379 0.656 20 0 BCADLP CC(C)[C@](C)(O)C[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000248430987 135009822 /nfs/dbraw/zinc/00/98/22/135009822.db2.gz WXHWIVCTRUXBSA-QWHCGFSZSA-N 2 2 244.379 0.656 20 0 BCADLP C[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248707283 135019494 /nfs/dbraw/zinc/01/94/94/135019494.db2.gz BBMTZNKCTMHQDF-OLZOCXBDSA-N 2 2 242.363 0.411 20 0 BCADLP C[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248707283 135019496 /nfs/dbraw/zinc/01/94/96/135019496.db2.gz BBMTZNKCTMHQDF-OLZOCXBDSA-N 2 2 242.363 0.411 20 0 BCADLP C[C@H](O)C[N@@H+]1CCN(Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000249362438 135036916 /nfs/dbraw/zinc/03/69/16/135036916.db2.gz UXBZIDWOULEUIS-QWRGUYRKSA-N 2 2 238.335 0.297 20 0 BCADLP C[C@H](O)C[N@H+]1CCN(Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000249362438 135036917 /nfs/dbraw/zinc/03/69/17/135036917.db2.gz UXBZIDWOULEUIS-QWRGUYRKSA-N 2 2 238.335 0.297 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1CCCOC1 ZINC000250370832 135052770 /nfs/dbraw/zinc/05/27/70/135052770.db2.gz INZATGSPPIVVPQ-RYUDHWBXSA-N 2 2 227.352 0.001 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CCCOC1 ZINC000250370832 135052772 /nfs/dbraw/zinc/05/27/72/135052772.db2.gz INZATGSPPIVVPQ-RYUDHWBXSA-N 2 2 227.352 0.001 20 0 BCADLP C[NH+](C)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000251123205 135064345 /nfs/dbraw/zinc/06/43/45/135064345.db2.gz FLRXZNLSQCUWQQ-GMTAPVOTSA-N 2 2 212.337 0.951 20 0 BCADLP C[N@H+](CC(=O)NC(C)(C)C)CC(C)(C)C[NH3+] ZINC000086638115 135091617 /nfs/dbraw/zinc/09/16/17/135091617.db2.gz MJKFSDADRYWTLC-UHFFFAOYSA-N 2 2 229.368 0.818 20 0 BCADLP C[N@@H+](CC(=O)NC(C)(C)C)CC(C)(C)C[NH3+] ZINC000086638115 135091618 /nfs/dbraw/zinc/09/16/18/135091618.db2.gz MJKFSDADRYWTLC-UHFFFAOYSA-N 2 2 229.368 0.818 20 0 BCADLP OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000086730033 135095553 /nfs/dbraw/zinc/09/55/53/135095553.db2.gz GZLRFRBGMXAHBJ-OLZOCXBDSA-N 2 2 220.316 0.542 20 0 BCADLP CC[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000252709900 135099653 /nfs/dbraw/zinc/09/96/53/135099653.db2.gz FDTUFZJAQZFWJE-MNOVXSKESA-N 2 2 227.352 0.714 20 0 BCADLP CC[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000252709900 135099655 /nfs/dbraw/zinc/09/96/55/135099655.db2.gz FDTUFZJAQZFWJE-MNOVXSKESA-N 2 2 227.352 0.714 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000252709587 135099810 /nfs/dbraw/zinc/09/98/10/135099810.db2.gz DGZANKDIPSFKLX-KKZNHRDASA-N 2 2 225.336 0.323 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000252709587 135099812 /nfs/dbraw/zinc/09/98/12/135099812.db2.gz DGZANKDIPSFKLX-KKZNHRDASA-N 2 2 225.336 0.323 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252868007 135114307 /nfs/dbraw/zinc/11/43/07/135114307.db2.gz NEJFDSZAHWRNLX-RWMBFGLXSA-N 2 2 235.331 0.894 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252868007 135114308 /nfs/dbraw/zinc/11/43/08/135114308.db2.gz NEJFDSZAHWRNLX-RWMBFGLXSA-N 2 2 235.331 0.894 20 0 BCADLP C[C@H]1CC[N@H+](CC(=O)NCC2CC2)C[C@H]1C[NH3+] ZINC000253235704 135124606 /nfs/dbraw/zinc/12/46/06/135124606.db2.gz MVJLHENFASHNCA-CMPLNLGQSA-N 2 2 239.363 0.429 20 0 BCADLP C[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C[C@H]1C[NH3+] ZINC000253235704 135124608 /nfs/dbraw/zinc/12/46/08/135124608.db2.gz MVJLHENFASHNCA-CMPLNLGQSA-N 2 2 239.363 0.429 20 0 BCADLP Cc1c[nH+]c(CN2CC[NH+](C)CC2)n1C ZINC000257865206 135131538 /nfs/dbraw/zinc/13/15/38/135131538.db2.gz GVIYOEDIFYJUTM-UHFFFAOYSA-N 2 2 208.309 0.476 20 0 BCADLP Cc1c[nH]nc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257645744 135137660 /nfs/dbraw/zinc/13/76/60/135137660.db2.gz CBXYUTUARMXPEG-GFCCVEGCSA-N 2 2 220.320 0.904 20 0 BCADLP Cc1c[nH]nc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257645744 135137661 /nfs/dbraw/zinc/13/76/61/135137661.db2.gz CBXYUTUARMXPEG-GFCCVEGCSA-N 2 2 220.320 0.904 20 0 BCADLP Cc1cn[nH]c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257645744 135137662 /nfs/dbraw/zinc/13/76/62/135137662.db2.gz CBXYUTUARMXPEG-GFCCVEGCSA-N 2 2 220.320 0.904 20 0 BCADLP Cc1cn[nH]c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257645744 135137663 /nfs/dbraw/zinc/13/76/63/135137663.db2.gz CBXYUTUARMXPEG-GFCCVEGCSA-N 2 2 220.320 0.904 20 0 BCADLP c1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)n[nH]1 ZINC000257686912 135138952 /nfs/dbraw/zinc/13/89/52/135138952.db2.gz MNJDNRCQQRVNRO-LBPRGKRZSA-N 2 2 220.320 0.985 20 0 BCADLP c1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)n[nH]1 ZINC000257686912 135138954 /nfs/dbraw/zinc/13/89/54/135138954.db2.gz MNJDNRCQQRVNRO-LBPRGKRZSA-N 2 2 220.320 0.985 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000261533114 135164254 /nfs/dbraw/zinc/16/42/54/135164254.db2.gz VQYXBUFGPXHUEZ-SCZZXKLOSA-N 2 2 221.260 0.051 20 0 BCADLP Cn1ccnc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261535693 135170593 /nfs/dbraw/zinc/17/05/93/135170593.db2.gz PBGOEBXAJWBAKS-LLVKDONJSA-N 2 2 208.309 0.591 20 0 BCADLP Cn1ccnc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261535693 135170594 /nfs/dbraw/zinc/17/05/94/135170594.db2.gz PBGOEBXAJWBAKS-LLVKDONJSA-N 2 2 208.309 0.591 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@](C)(C[NH3+])C1 ZINC000261535693 135170596 /nfs/dbraw/zinc/17/05/96/135170596.db2.gz PBGOEBXAJWBAKS-LLVKDONJSA-N 2 2 208.309 0.591 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261541839 135181675 /nfs/dbraw/zinc/18/16/75/135181675.db2.gz BOXGZZYXLPXCEL-ZDUSSCGKSA-N 2 2 239.363 0.444 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261541839 135181676 /nfs/dbraw/zinc/18/16/76/135181676.db2.gz BOXGZZYXLPXCEL-ZDUSSCGKSA-N 2 2 239.363 0.444 20 0 BCADLP C[NH2+][C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000261551330 135190215 /nfs/dbraw/zinc/19/02/15/135190215.db2.gz QJAHIZLITJHDJY-LBPRGKRZSA-N 3 2 211.353 0.670 20 0 BCADLP C[NH2+][C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000261551330 135190217 /nfs/dbraw/zinc/19/02/17/135190217.db2.gz QJAHIZLITJHDJY-LBPRGKRZSA-N 3 2 211.353 0.670 20 0 BCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261556106 135196415 /nfs/dbraw/zinc/19/64/15/135196415.db2.gz QHKZXNWQEFVHSH-SRVKXCTJSA-N 2 2 239.363 0.442 20 0 BCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261556106 135196417 /nfs/dbraw/zinc/19/64/17/135196417.db2.gz QHKZXNWQEFVHSH-SRVKXCTJSA-N 2 2 239.363 0.442 20 0 BCADLP CCC[N@H+](CCOCC[NH3+])[C@H]1CC[NH2+]C1 ZINC000261558196 135198363 /nfs/dbraw/zinc/19/83/63/135198363.db2.gz XZVFNBGJMKCDGQ-NSHDSACASA-N 3 2 215.341 0.036 20 0 BCADLP CCC[N@@H+](CCOCC[NH3+])[C@H]1CC[NH2+]C1 ZINC000261558196 135198364 /nfs/dbraw/zinc/19/83/64/135198364.db2.gz XZVFNBGJMKCDGQ-NSHDSACASA-N 3 2 215.341 0.036 20 0 BCADLP c1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)n[nH]1 ZINC000261558135 135198400 /nfs/dbraw/zinc/19/84/00/135198400.db2.gz XVXZNQFSXNTAON-KOLCDFICSA-N 2 2 206.293 0.594 20 0 BCADLP c1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)n[nH]1 ZINC000261558135 135198402 /nfs/dbraw/zinc/19/84/02/135198402.db2.gz XVXZNQFSXNTAON-KOLCDFICSA-N 2 2 206.293 0.594 20 0 BCADLP C[N@H+](CCc1cnccn1)CC(C)(C)[NH3+] ZINC000261558653 135199648 /nfs/dbraw/zinc/19/96/48/135199648.db2.gz YOTSMCVIPHJFSK-UHFFFAOYSA-N 2 2 208.309 0.688 20 0 BCADLP C[N@@H+](CCc1cnccn1)CC(C)(C)[NH3+] ZINC000261558653 135199650 /nfs/dbraw/zinc/19/96/50/135199650.db2.gz YOTSMCVIPHJFSK-UHFFFAOYSA-N 2 2 208.309 0.688 20 0 BCADLP C[C@H]1[NH2+]CCN(Cc2[nH+]ccn2C)[C@@H]1C ZINC000261560058 135200430 /nfs/dbraw/zinc/20/04/30/135200430.db2.gz ZLNYHNFAZWWFEH-NXEZZACHSA-N 2 2 208.309 0.602 20 0 BCADLP COCCO[C@H]1CC[N@H+](CC(C)(C)[NH3+])C1 ZINC000261559660 135200642 /nfs/dbraw/zinc/20/06/42/135200642.db2.gz ZEPZAFULYJRYCG-JTQLQIEISA-N 2 2 216.325 0.461 20 0 BCADLP COCCO[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261559660 135200643 /nfs/dbraw/zinc/20/06/43/135200643.db2.gz ZEPZAFULYJRYCG-JTQLQIEISA-N 2 2 216.325 0.461 20 0 BCADLP CN1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1=O ZINC000261566095 135207401 /nfs/dbraw/zinc/20/74/01/135207401.db2.gz ICVDBVCQVXQAQX-ICCXJUOJSA-N 2 2 245.326 0.952 20 0 BCADLP [NH3+][C@H]1CCC[N@H+](CCN2CCCC2=O)C1 ZINC000261569517 135211137 /nfs/dbraw/zinc/21/11/37/135211137.db2.gz GIQTXWITJAQKDE-JTQLQIEISA-N 2 2 211.309 0.032 20 0 BCADLP [NH3+][C@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC000261569517 135211139 /nfs/dbraw/zinc/21/11/39/135211139.db2.gz GIQTXWITJAQKDE-JTQLQIEISA-N 2 2 211.309 0.032 20 0 BCADLP [NH3+]C[C@@H]1C[N@H+](CC[C@@H]2CCOC2)CCO1 ZINC000261570391 135211891 /nfs/dbraw/zinc/21/18/91/135211891.db2.gz GVOXTHDEROKPGD-GHMZBOCLSA-N 2 2 214.309 0.073 20 0 BCADLP [NH3+]C[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)CCO1 ZINC000261570391 135211893 /nfs/dbraw/zinc/21/18/93/135211893.db2.gz GVOXTHDEROKPGD-GHMZBOCLSA-N 2 2 214.309 0.073 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261571243 135213534 /nfs/dbraw/zinc/21/35/34/135213534.db2.gz KYSPRCASQDFRDP-VXGBXAGGSA-N 2 2 248.330 0.341 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000261572018 135213668 /nfs/dbraw/zinc/21/36/68/135213668.db2.gz HZAVZJQRIRODCM-VXGBXAGGSA-N 2 2 220.320 0.604 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000261572018 135213670 /nfs/dbraw/zinc/21/36/70/135213670.db2.gz HZAVZJQRIRODCM-VXGBXAGGSA-N 2 2 220.320 0.604 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCn1cncn1 ZINC000261577115 135218377 /nfs/dbraw/zinc/21/83/77/135218377.db2.gz KXHRWPUWACJQIC-WDEREUQCSA-N 2 2 223.324 0.480 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCn1cncn1 ZINC000261577115 135218378 /nfs/dbraw/zinc/21/83/78/135218378.db2.gz KXHRWPUWACJQIC-WDEREUQCSA-N 2 2 223.324 0.480 20 0 BCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000261577668 135219257 /nfs/dbraw/zinc/21/92/57/135219257.db2.gz LHHORRUKIZRLLG-RNJXMRFFSA-N 2 2 226.242 0.721 20 0 BCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000261577668 135219258 /nfs/dbraw/zinc/21/92/58/135219258.db2.gz LHHORRUKIZRLLG-RNJXMRFFSA-N 2 2 226.242 0.721 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261581258 135222299 /nfs/dbraw/zinc/22/22/99/135222299.db2.gz QMHOXXKNCFICOT-NEPJUHHUSA-N 2 2 248.330 0.484 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000261584558 135225679 /nfs/dbraw/zinc/22/56/79/135225679.db2.gz PYKUBTBMLKJYLK-SCZZXKLOSA-N 2 2 211.309 0.077 20 0 BCADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000261584558 135225681 /nfs/dbraw/zinc/22/56/81/135225681.db2.gz PYKUBTBMLKJYLK-SCZZXKLOSA-N 2 2 211.309 0.077 20 0 BCADLP CCN(CC)C(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000261584589 135226111 /nfs/dbraw/zinc/22/61/11/135226111.db2.gz PZORKWDAZLGVAS-UHFFFAOYSA-N 2 2 213.325 0.326 20 0 BCADLP Cn1ncc(C[N@@H+]2CCCC[C@H]2CC[NH3+])n1 ZINC000261589693 135230073 /nfs/dbraw/zinc/23/00/73/135230073.db2.gz UCNKIGWMZXMIIC-NSHDSACASA-N 2 2 223.324 0.518 20 0 BCADLP Cn1ncc(C[N@H+]2CCCC[C@H]2CC[NH3+])n1 ZINC000261589693 135230074 /nfs/dbraw/zinc/23/00/74/135230074.db2.gz UCNKIGWMZXMIIC-NSHDSACASA-N 2 2 223.324 0.518 20 0 BCADLP C[C@]1(C[NH3+])CC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000261591310 135231864 /nfs/dbraw/zinc/23/18/64/135231864.db2.gz XOTKXGOUUDEWJF-CYBMUJFWSA-N 2 2 245.330 0.900 20 0 BCADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000261591310 135231865 /nfs/dbraw/zinc/23/18/65/135231865.db2.gz XOTKXGOUUDEWJF-CYBMUJFWSA-N 2 2 245.330 0.900 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000261591311 135232242 /nfs/dbraw/zinc/23/22/42/135232242.db2.gz XOTKXGOUUDEWJF-ZDUSSCGKSA-N 2 2 245.330 0.900 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000261591311 135232243 /nfs/dbraw/zinc/23/22/43/135232243.db2.gz XOTKXGOUUDEWJF-ZDUSSCGKSA-N 2 2 245.330 0.900 20 0 BCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261593065 135233261 /nfs/dbraw/zinc/23/32/61/135233261.db2.gz WKTMZOUMFHIXCA-GFCCVEGCSA-N 2 2 227.352 0.429 20 0 BCADLP CC(C)CNC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261593065 135233263 /nfs/dbraw/zinc/23/32/63/135233263.db2.gz WKTMZOUMFHIXCA-GFCCVEGCSA-N 2 2 227.352 0.429 20 0 BCADLP O=C([C@H]1CCC[NH2+]1)N1CCC(n2cc[nH+]c2)CC1 ZINC000261611107 135237697 /nfs/dbraw/zinc/23/76/97/135237697.db2.gz CBBDKEXPSBWMMA-GFCCVEGCSA-N 2 2 248.330 0.799 20 0 BCADLP CN(C)c1ncc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000261649276 135242840 /nfs/dbraw/zinc/24/28/40/135242840.db2.gz DZUDEYMEOTWKHI-ZDUSSCGKSA-N 2 2 249.362 0.713 20 0 BCADLP CN(C)c1ncc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000261649276 135242841 /nfs/dbraw/zinc/24/28/41/135242841.db2.gz DZUDEYMEOTWKHI-ZDUSSCGKSA-N 2 2 249.362 0.713 20 0 BCADLP C[N@H+](CC(=O)NC1CC1)C[C@]1(C)CC[NH2+]C1 ZINC000261687734 135245687 /nfs/dbraw/zinc/24/56/87/135245687.db2.gz AUNMFRPHMAETGJ-GFCCVEGCSA-N 2 2 225.336 0.196 20 0 BCADLP C[N@@H+](CC(=O)NC1CC1)C[C@]1(C)CC[NH2+]C1 ZINC000261687734 135245689 /nfs/dbraw/zinc/24/56/89/135245689.db2.gz AUNMFRPHMAETGJ-GFCCVEGCSA-N 2 2 225.336 0.196 20 0 BCADLP CCC[N@H+](CC(=O)OC)C[C@]1(C)CC[NH2+]C1 ZINC000261720005 135247611 /nfs/dbraw/zinc/24/76/11/135247611.db2.gz FTRRWEHHWZWSAG-GFCCVEGCSA-N 2 2 228.336 0.871 20 0 BCADLP CCC[N@@H+](CC(=O)OC)C[C@]1(C)CC[NH2+]C1 ZINC000261720005 135247612 /nfs/dbraw/zinc/24/76/12/135247612.db2.gz FTRRWEHHWZWSAG-GFCCVEGCSA-N 2 2 228.336 0.871 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000261711350 135247775 /nfs/dbraw/zinc/24/77/75/135247775.db2.gz MMAHGFNYMPTFHZ-JSGCOSHPSA-N 2 2 247.342 0.884 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000261711350 135247777 /nfs/dbraw/zinc/24/77/77/135247777.db2.gz MMAHGFNYMPTFHZ-JSGCOSHPSA-N 2 2 247.342 0.884 20 0 BCADLP Cc1cccn2cc(CNC(=O)C[C@H](C)[NH3+])[nH+]c12 ZINC000261732176 135248442 /nfs/dbraw/zinc/24/84/42/135248442.db2.gz FZBGLTSGKKGIHY-JTQLQIEISA-N 2 2 246.314 0.996 20 0 BCADLP C[C@@H]([NH3+])CC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000261738079 135249318 /nfs/dbraw/zinc/24/93/18/135249318.db2.gz GKSBNPZYSLJVME-SECBINFHSA-N 2 2 236.319 0.501 20 0 BCADLP CC(C)([NH3+])C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000261749277 135249858 /nfs/dbraw/zinc/24/98/58/135249858.db2.gz CCIQLSAJBIRZPE-SNVBAGLBSA-N 2 2 225.336 0.420 20 0 BCADLP CC(C)([NH3+])C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000261749277 135249859 /nfs/dbraw/zinc/24/98/59/135249859.db2.gz CCIQLSAJBIRZPE-SNVBAGLBSA-N 2 2 225.336 0.420 20 0 BCADLP C[C@@]1(C[N@H+](CCO)Cc2cccnc2)CC[NH2+]C1 ZINC000261747804 135249925 /nfs/dbraw/zinc/24/99/25/135249925.db2.gz JHJMSXCLUURAMQ-CQSZACIVSA-N 2 2 249.358 0.876 20 0 BCADLP C[C@@]1(C[N@@H+](CCO)Cc2cccnc2)CC[NH2+]C1 ZINC000261747804 135249926 /nfs/dbraw/zinc/24/99/26/135249926.db2.gz JHJMSXCLUURAMQ-CQSZACIVSA-N 2 2 249.358 0.876 20 0 BCADLP COC(=O)[C@@H]1CC[N@H+](CC(C)(C)[NH3+])C[C@@H]1C ZINC000261787820 135252302 /nfs/dbraw/zinc/25/23/02/135252302.db2.gz FZCRIQYIYOKVQG-VHSXEESVSA-N 2 2 228.336 0.855 20 0 BCADLP COC(=O)[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C[C@@H]1C ZINC000261787820 135252304 /nfs/dbraw/zinc/25/23/04/135252304.db2.gz FZCRIQYIYOKVQG-VHSXEESVSA-N 2 2 228.336 0.855 20 0 BCADLP C[C@H]([NH3+])CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000261781274 135252506 /nfs/dbraw/zinc/25/25/06/135252506.db2.gz BENUVXMJCLQUHH-WDEREUQCSA-N 2 2 248.330 0.514 20 0 BCADLP Cc1ccc2[nH+]c(CNC(=O)C[C@H](C)[NH3+])cn2c1 ZINC000261825311 135256281 /nfs/dbraw/zinc/25/62/81/135256281.db2.gz OJFBRNLWFQGJIP-JTQLQIEISA-N 2 2 246.314 0.996 20 0 BCADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000261868900 135257962 /nfs/dbraw/zinc/25/79/62/135257962.db2.gz XQUPJOAYPKHWKY-VHSXEESVSA-N 2 2 236.319 0.586 20 0 BCADLP COC(=O)C(C)(C)CC[N@@H+]1CCC[NH2+]CC1 ZINC000261922848 135263357 /nfs/dbraw/zinc/26/33/57/135263357.db2.gz KQQFJTQKSDHEPC-UHFFFAOYSA-N 2 2 228.336 0.871 20 0 BCADLP COC(=O)C(C)(C)CC[N@H+]1CCC[NH2+]CC1 ZINC000261922848 135263358 /nfs/dbraw/zinc/26/33/58/135263358.db2.gz KQQFJTQKSDHEPC-UHFFFAOYSA-N 2 2 228.336 0.871 20 0 BCADLP O=C1C[N@H+](CC2CC[NH2+]CC2)CN1C1CC1 ZINC000261981131 135269167 /nfs/dbraw/zinc/26/91/67/135269167.db2.gz RJIMVUDMVWCUSF-UHFFFAOYSA-N 2 2 223.320 0.250 20 0 BCADLP O=C1C[N@@H+](CC2CC[NH2+]CC2)CN1C1CC1 ZINC000261981131 135269168 /nfs/dbraw/zinc/26/91/68/135269168.db2.gz RJIMVUDMVWCUSF-UHFFFAOYSA-N 2 2 223.320 0.250 20 0 BCADLP C[C@]1(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)CC[NH2+]C1 ZINC000261998238 135271386 /nfs/dbraw/zinc/27/13/86/135271386.db2.gz LBLMULPGAUBNST-TUAOUCFPSA-N 2 2 226.320 0.086 20 0 BCADLP C[C@]1(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)CC[NH2+]C1 ZINC000261998238 135271387 /nfs/dbraw/zinc/27/13/87/135271387.db2.gz LBLMULPGAUBNST-TUAOUCFPSA-N 2 2 226.320 0.086 20 0 BCADLP [NH3+]CC[N@H+](CCO)CCOc1ccccc1 ZINC000342403540 135271731 /nfs/dbraw/zinc/27/17/31/135271731.db2.gz UCZUWKGXZJYFJF-UHFFFAOYSA-N 2 2 224.304 0.318 20 0 BCADLP [NH3+]CC[N@@H+](CCO)CCOc1ccccc1 ZINC000342403540 135271733 /nfs/dbraw/zinc/27/17/33/135271733.db2.gz UCZUWKGXZJYFJF-UHFFFAOYSA-N 2 2 224.304 0.318 20 0 BCADLP CCN1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)CC1=O ZINC000262043057 135275738 /nfs/dbraw/zinc/27/57/38/135275738.db2.gz YOMAKNOFBOVLNS-GFCCVEGCSA-N 2 2 239.363 0.540 20 0 BCADLP CCN1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1=O ZINC000262043057 135275739 /nfs/dbraw/zinc/27/57/39/135275739.db2.gz YOMAKNOFBOVLNS-GFCCVEGCSA-N 2 2 239.363 0.540 20 0 BCADLP c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[NH2+]C1)CO2 ZINC000262149961 135282306 /nfs/dbraw/zinc/28/23/06/135282306.db2.gz FXDVHVVEKHJFNJ-NEPJUHHUSA-N 2 2 218.300 0.942 20 0 BCADLP c1nc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)co1 ZINC000262158655 135283184 /nfs/dbraw/zinc/28/31/84/135283184.db2.gz SHVAATSYFBMGPO-GFCCVEGCSA-N 2 2 236.319 0.154 20 0 BCADLP c1nc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)co1 ZINC000262158655 135283186 /nfs/dbraw/zinc/28/31/86/135283186.db2.gz SHVAATSYFBMGPO-GFCCVEGCSA-N 2 2 236.319 0.154 20 0 BCADLP c1nc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)co1 ZINC000262158658 135283357 /nfs/dbraw/zinc/28/33/57/135283357.db2.gz SHVAATSYFBMGPO-LBPRGKRZSA-N 2 2 236.319 0.154 20 0 BCADLP c1nc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)co1 ZINC000262158658 135283358 /nfs/dbraw/zinc/28/33/58/135283358.db2.gz SHVAATSYFBMGPO-LBPRGKRZSA-N 2 2 236.319 0.154 20 0 BCADLP C[C@H](C[NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000262342467 135293670 /nfs/dbraw/zinc/29/36/70/135293670.db2.gz HZZKGXRQRRHTCB-SECBINFHSA-N 2 2 232.287 0.545 20 0 BCADLP C[C@@H](C[NH3+])C(=O)NCc1ccc[nH+]c1N(C)C ZINC000262358955 135295211 /nfs/dbraw/zinc/29/52/11/135295211.db2.gz KBKCTMJNCBRBEX-VIFPVBQESA-N 2 2 236.319 0.359 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[NH+](C)C ZINC000342666322 135308657 /nfs/dbraw/zinc/30/86/57/135308657.db2.gz SEOYSFFYXQXINH-JTQLQIEISA-N 2 2 239.323 0.132 20 0 BCADLP [NH3+]CC(F)(F)CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000262721349 135315752 /nfs/dbraw/zinc/31/57/52/135315752.db2.gz VPPHCIKBPZLCMV-VIFPVBQESA-N 2 2 243.257 0.397 20 0 BCADLP [NH3+]CC[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000262940036 135324352 /nfs/dbraw/zinc/32/43/52/135324352.db2.gz ITCIJGBUSYEUPA-LLVKDONJSA-N 2 2 225.336 0.183 20 0 BCADLP [NH3+]CC[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000262940036 135324353 /nfs/dbraw/zinc/32/43/53/135324353.db2.gz ITCIJGBUSYEUPA-LLVKDONJSA-N 2 2 225.336 0.183 20 0 BCADLP CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CC[NH3+])C1 ZINC000262984708 135325949 /nfs/dbraw/zinc/32/59/49/135325949.db2.gz MZAHFPVEKKIFKR-LLVKDONJSA-N 2 2 241.379 0.819 20 0 BCADLP CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000262984708 135325951 /nfs/dbraw/zinc/32/59/51/135325951.db2.gz MZAHFPVEKKIFKR-LLVKDONJSA-N 2 2 241.379 0.819 20 0 BCADLP C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263170313 135337335 /nfs/dbraw/zinc/33/73/35/135337335.db2.gz FQRUFNUPZULFLO-DTWKUNHWSA-N 2 2 247.289 0.146 20 0 BCADLP C[C@@H](C[NH2+]Cc1ncc[nH]1)N1CC[NH+](C)CC1 ZINC000342992348 135342819 /nfs/dbraw/zinc/34/28/19/135342819.db2.gz IRROEIDQFWBXCF-NSHDSACASA-N 2 2 237.351 0.135 20 0 BCADLP CC[C@@](C)(CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000080886589 135384647 /nfs/dbraw/zinc/38/46/47/135384647.db2.gz OJXZWHACQNJDHD-LBPRGKRZSA-N 2 2 240.351 0.737 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1CCOC[C@@H]1C ZINC000347775877 136009336 /nfs/dbraw/zinc/00/93/36/136009336.db2.gz LDFGMVMPKHKWNP-FRRDWIJNSA-N 2 2 241.379 0.247 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1CCOC[C@@H]1C ZINC000347775877 136009337 /nfs/dbraw/zinc/00/93/37/136009337.db2.gz LDFGMVMPKHKWNP-FRRDWIJNSA-N 2 2 241.379 0.247 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(C(N)=O)CCCC1 ZINC000347836871 136014567 /nfs/dbraw/zinc/01/45/67/136014567.db2.gz KUEDFJGSKGTLGH-WDEREUQCSA-N 2 2 239.363 0.572 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(C(N)=O)CCCC1 ZINC000347836871 136014568 /nfs/dbraw/zinc/01/45/68/136014568.db2.gz KUEDFJGSKGTLGH-WDEREUQCSA-N 2 2 239.363 0.572 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C=C[C@@H](CO)C1 ZINC000348163552 136041904 /nfs/dbraw/zinc/04/19/04/136041904.db2.gz VRHQVFFBEIOEGQ-WYUUTHIRSA-N 2 2 210.321 0.463 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C=C[C@@H](CO)C1 ZINC000348163552 136041905 /nfs/dbraw/zinc/04/19/05/136041905.db2.gz VRHQVFFBEIOEGQ-WYUUTHIRSA-N 2 2 210.321 0.463 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C1 ZINC000348182977 136043620 /nfs/dbraw/zinc/04/36/20/136043620.db2.gz MSDBJWGFSYCCNF-WUHRBBMRSA-N 2 2 224.348 0.853 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C1 ZINC000348182977 136043621 /nfs/dbraw/zinc/04/36/21/136043621.db2.gz MSDBJWGFSYCCNF-WUHRBBMRSA-N 2 2 224.348 0.853 20 0 BCADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCNC1=O ZINC000348311826 136067325 /nfs/dbraw/zinc/06/73/25/136067325.db2.gz JPCYIFXIFSVFLU-QWRGUYRKSA-N 2 2 225.336 0.291 20 0 BCADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCNC1=O ZINC000348311826 136067326 /nfs/dbraw/zinc/06/73/26/136067326.db2.gz JPCYIFXIFSVFLU-QWRGUYRKSA-N 2 2 225.336 0.291 20 0 BCADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCNC1=O ZINC000348311826 136067327 /nfs/dbraw/zinc/06/73/27/136067327.db2.gz JPCYIFXIFSVFLU-QWRGUYRKSA-N 2 2 225.336 0.291 20 0 BCADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H]1CCNC1=O ZINC000348311826 136067328 /nfs/dbraw/zinc/06/73/28/136067328.db2.gz JPCYIFXIFSVFLU-QWRGUYRKSA-N 2 2 225.336 0.291 20 0 BCADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1nnn(C)n1 ZINC000348357473 136072871 /nfs/dbraw/zinc/07/28/71/136072871.db2.gz OYNXQIGZODSWOF-UHFFFAOYSA-N 2 2 246.318 0.636 20 0 BCADLP COC[C@H](C)C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166116699 136074430 /nfs/dbraw/zinc/07/44/30/136074430.db2.gz BUDWKZCKRRWZJB-GRYCIOLGSA-N 2 2 230.352 0.626 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c[nH+]1 ZINC000335374073 136084603 /nfs/dbraw/zinc/08/46/03/136084603.db2.gz WHYQWICYNOWZTH-IUCAKERBSA-N 2 2 222.292 0.575 20 0 BCADLP C[NH+](C)C1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000335553643 136098595 /nfs/dbraw/zinc/09/85/95/136098595.db2.gz ORKUTICMUITOAD-SNVBAGLBSA-N 2 2 248.330 0.218 20 0 BCADLP Cn1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cn1 ZINC000335570447 136109330 /nfs/dbraw/zinc/10/93/30/136109330.db2.gz SRYXJWROGSCGBI-CYBMUJFWSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cn1 ZINC000335570447 136109331 /nfs/dbraw/zinc/10/93/31/136109331.db2.gz SRYXJWROGSCGBI-CYBMUJFWSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cn1 ZINC000335570447 136109332 /nfs/dbraw/zinc/10/93/32/136109332.db2.gz SRYXJWROGSCGBI-CYBMUJFWSA-N 2 2 234.347 0.948 20 0 BCADLP Cn1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cn1 ZINC000335570447 136109333 /nfs/dbraw/zinc/10/93/33/136109333.db2.gz SRYXJWROGSCGBI-CYBMUJFWSA-N 2 2 234.347 0.948 20 0 BCADLP C[C@H](C[NH2+]CC[C@H]1CCOC1)[NH+](C)C ZINC000308686368 397836677 /nfs/dbraw/zinc/83/66/77/397836677.db2.gz ZQRAQDPZUKQYNY-MNOVXSKESA-N 2 2 200.326 0.953 20 0 BCADLP Cn1nccc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000390243925 397883910 /nfs/dbraw/zinc/88/39/10/397883910.db2.gz IOZKJRNYGJXAOX-UHFFFAOYSA-N 2 2 208.309 0.733 20 0 BCADLP O=C1OCC[C@@H]1[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266890200 397940079 /nfs/dbraw/zinc/94/00/79/397940079.db2.gz CQSKLBXXXFOUCA-UWVGGRQHSA-N 2 2 235.287 0.905 20 0 BCADLP O=C1OCC[C@@H]1[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266890200 397940086 /nfs/dbraw/zinc/94/00/86/397940086.db2.gz CQSKLBXXXFOUCA-UWVGGRQHSA-N 2 2 235.287 0.905 20 0 BCADLP CC1([NH3+])CC[NH+](CC(=O)NC2CC2)CC1 ZINC000390591658 397896860 /nfs/dbraw/zinc/89/68/60/397896860.db2.gz ZMFLXNXSFPMVDE-UHFFFAOYSA-N 2 2 211.309 0.078 20 0 BCADLP CO[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537789 397918837 /nfs/dbraw/zinc/91/88/37/397918837.db2.gz QVBJRIALPKFUFU-KATARQTJSA-N 2 2 204.289 0.699 20 0 BCADLP C[C@H]([NH3+])CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000647021107 398005046 /nfs/dbraw/zinc/00/50/46/398005046.db2.gz ZTKVPXQNPZJWPL-VIFPVBQESA-N 2 2 245.286 0.344 20 0 BCADLP CN(C)C(=O)CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000271757151 397972804 /nfs/dbraw/zinc/97/28/04/397972804.db2.gz ZVRGPSRFRYISCR-UHFFFAOYSA-N 2 2 238.335 0.683 20 0 BCADLP CN(C)C(=O)CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000271757151 397972807 /nfs/dbraw/zinc/97/28/07/397972807.db2.gz ZVRGPSRFRYISCR-UHFFFAOYSA-N 2 2 238.335 0.683 20 0 BCADLP CO[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000271980305 397976140 /nfs/dbraw/zinc/97/61/40/397976140.db2.gz OJROSFDJTOFEOD-NSHDSACASA-N 2 2 209.293 0.994 20 0 BCADLP CO[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000271980305 397976148 /nfs/dbraw/zinc/97/61/48/397976148.db2.gz OJROSFDJTOFEOD-NSHDSACASA-N 2 2 209.293 0.994 20 0 BCADLP COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc[nH+]c(N)c1 ZINC000649744720 398082558 /nfs/dbraw/zinc/08/25/58/398082558.db2.gz LSIJJLMKDMGZET-WDEREUQCSA-N 2 2 237.303 0.076 20 0 BCADLP COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc[nH+]c(N)c1 ZINC000649744720 398082559 /nfs/dbraw/zinc/08/25/59/398082559.db2.gz LSIJJLMKDMGZET-WDEREUQCSA-N 2 2 237.303 0.076 20 0 BCADLP COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cc[nH+]c(N)c1 ZINC000649763963 398091424 /nfs/dbraw/zinc/09/14/24/398091424.db2.gz LSIJJLMKDMGZET-GHMZBOCLSA-N 2 2 237.303 0.076 20 0 BCADLP Nc1cccc(C[N@@H+]2CCO[C@@H](C[NH3+])C2)c1 ZINC000569341258 398106026 /nfs/dbraw/zinc/10/60/26/398106026.db2.gz MGNNRXNPERPQND-LBPRGKRZSA-N 2 2 221.304 0.428 20 0 BCADLP Nc1cccc(C[N@H+]2CCO[C@@H](C[NH3+])C2)c1 ZINC000569341258 398106028 /nfs/dbraw/zinc/10/60/28/398106028.db2.gz MGNNRXNPERPQND-LBPRGKRZSA-N 2 2 221.304 0.428 20 0 BCADLP COCC(COC)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000385027351 398127911 /nfs/dbraw/zinc/12/79/11/398127911.db2.gz JRDOLXHZKPUDFI-MNOVXSKESA-N 2 2 230.352 0.720 20 0 BCADLP COCC(COC)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000385027351 398127915 /nfs/dbraw/zinc/12/79/15/398127915.db2.gz JRDOLXHZKPUDFI-MNOVXSKESA-N 2 2 230.352 0.720 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000376099142 167051097 /nfs/dbraw/zinc/05/10/97/167051097.db2.gz XFFHWTQOEHJPMY-GFCCVEGCSA-N 2 2 241.379 0.927 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000376099142 167051102 /nfs/dbraw/zinc/05/11/02/167051102.db2.gz XFFHWTQOEHJPMY-GFCCVEGCSA-N 2 2 241.379 0.927 20 0 BCADLP COCCOCC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000070027573 174354112 /nfs/dbraw/zinc/35/41/12/174354112.db2.gz KBUQKZBEAZTRMI-SNVBAGLBSA-N 2 2 202.298 0.073 20 0 BCADLP COCCOCC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000070027573 174354114 /nfs/dbraw/zinc/35/41/14/174354114.db2.gz KBUQKZBEAZTRMI-SNVBAGLBSA-N 2 2 202.298 0.073 20 0 BCADLP CCn1cc(C[NH2+]C2CC[NH+](CC)CC2)nn1 ZINC000404421373 487567564 /nfs/dbraw/zinc/56/75/64/487567564.db2.gz CWDZUYVQVADWST-UHFFFAOYSA-N 2 2 237.351 0.872 20 0 BCADLP CN(CCC[NH+](C)C)C(=O)CCc1c[nH+]c[nH]1 ZINC000527251550 487570569 /nfs/dbraw/zinc/57/05/69/487570569.db2.gz MIDHRBUNKXULPJ-UHFFFAOYSA-N 2 2 238.335 0.752 20 0 BCADLP CN(CCC[NH+](C)C)C(=O)CCc1c[nH]c[nH+]1 ZINC000527251550 487570574 /nfs/dbraw/zinc/57/05/74/487570574.db2.gz MIDHRBUNKXULPJ-UHFFFAOYSA-N 2 2 238.335 0.752 20 0 BCADLP CC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152916717 487586134 /nfs/dbraw/zinc/58/61/34/487586134.db2.gz LGVKHOAPUORENA-WDEREUQCSA-N 2 2 248.330 0.514 20 0 BCADLP C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1[nH+]ccn1C ZINC000082280842 487588596 /nfs/dbraw/zinc/58/85/96/487588596.db2.gz KRRCZPVAPGCGOU-VHSXEESVSA-N 2 2 236.319 0.597 20 0 BCADLP C[N@@H+]1CCN(C(=O)CCC2CCC2)[C@@H](C[NH3+])C1 ZINC000162571383 487589810 /nfs/dbraw/zinc/58/98/10/487589810.db2.gz HNTXSZNVLWMSMD-LBPRGKRZSA-N 2 2 239.363 0.668 20 0 BCADLP C[N@H+]1CCN(C(=O)CCC2CCC2)[C@@H](C[NH3+])C1 ZINC000162571383 487589818 /nfs/dbraw/zinc/58/98/18/487589818.db2.gz HNTXSZNVLWMSMD-LBPRGKRZSA-N 2 2 239.363 0.668 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)[NH+](C)C ZINC000674717678 487608408 /nfs/dbraw/zinc/60/84/08/487608408.db2.gz JUWLLXLHFQOZSY-QMMMGPOBSA-N 2 2 210.281 0.284 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCC(C)(C)C1 ZINC000653073811 409560748 /nfs/dbraw/zinc/56/07/48/409560748.db2.gz NUWGEVUIPLSCOA-NSHDSACASA-N 2 2 241.379 0.914 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2nc(N(C)C)no2)C1 ZINC000662265875 409564493 /nfs/dbraw/zinc/56/44/93/409564493.db2.gz JHMZRVOKRBJRFR-RKDXNWHRSA-N 2 2 239.323 0.305 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nc(N(C)C)no2)C1 ZINC000662265875 409564501 /nfs/dbraw/zinc/56/45/01/409564501.db2.gz JHMZRVOKRBJRFR-RKDXNWHRSA-N 2 2 239.323 0.305 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2nc(N(C)C)no2)C1 ZINC000662265866 409564886 /nfs/dbraw/zinc/56/48/86/409564886.db2.gz JHMZRVOKRBJRFR-BDAKNGLRSA-N 2 2 239.323 0.305 20 0 BCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2nc(N(C)C)no2)C1 ZINC000662265866 409564898 /nfs/dbraw/zinc/56/48/98/409564898.db2.gz JHMZRVOKRBJRFR-BDAKNGLRSA-N 2 2 239.323 0.305 20 0 BCADLP Cc1nnc([C@H](C)[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)[nH]1 ZINC000662266275 409565011 /nfs/dbraw/zinc/56/50/11/409565011.db2.gz LDFLGRNVVUBTLL-KHQFGBGNSA-N 2 2 223.324 0.843 20 0 BCADLP Cc1nnc([C@H](C)[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)[nH]1 ZINC000662266275 409565020 /nfs/dbraw/zinc/56/50/20/409565020.db2.gz LDFLGRNVVUBTLL-KHQFGBGNSA-N 2 2 223.324 0.843 20 0 BCADLP CO[C@H](C)C[N@H+](C[C@H]1C[NH2+]CCO1)C(C)C ZINC000662254940 409553441 /nfs/dbraw/zinc/55/34/41/409553441.db2.gz BYTGXRWHOKYRRH-VXGBXAGGSA-N 2 2 230.352 0.720 20 0 BCADLP CO[C@H](C)C[N@@H+](C[C@H]1C[NH2+]CCO1)C(C)C ZINC000662254940 409553442 /nfs/dbraw/zinc/55/34/42/409553442.db2.gz BYTGXRWHOKYRRH-VXGBXAGGSA-N 2 2 230.352 0.720 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1Cc2ccccc2C1 ZINC000653088082 409618387 /nfs/dbraw/zinc/61/83/87/409618387.db2.gz QQZJQMXQFQEZNG-CYBMUJFWSA-N 2 2 247.342 0.808 20 0 BCADLP C[C@H]1CSCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653090429 409631258 /nfs/dbraw/zinc/63/12/58/409631258.db2.gz PCVRFFANIVYOLU-VHSXEESVSA-N 2 2 245.392 0.229 20 0 BCADLP CC[C@H]1CCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653076808 409590619 /nfs/dbraw/zinc/59/06/19/409590619.db2.gz GCTWTVQMEJMVJB-WDEREUQCSA-N 2 2 227.352 0.666 20 0 BCADLP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653077566 409593395 /nfs/dbraw/zinc/59/33/95/409593395.db2.gz CUSRVLZRKOJHRZ-NXEZZACHSA-N 2 2 213.325 0.134 20 0 BCADLP C[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000653078707 409597142 /nfs/dbraw/zinc/59/71/42/409597142.db2.gz INHRDRNZWOZXGH-MWLCHTKSSA-N 2 2 227.352 0.428 20 0 BCADLP [NH3+]CCC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662282491 409608814 /nfs/dbraw/zinc/60/88/14/409608814.db2.gz AMHWDWUZIQTTBY-GFCCVEGCSA-N 3 2 227.352 0.036 20 0 BCADLP C[C@@H]1CCC[C@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653086868 409615555 /nfs/dbraw/zinc/61/55/55/409615555.db2.gz DLJHOELWGLGVGR-OUAUKWLOSA-N 2 2 227.352 0.570 20 0 BCADLP CC[C@@H]1C[C@@H](C)CN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653092992 409692259 /nfs/dbraw/zinc/69/22/59/409692259.db2.gz RTEDUPODRZMSLA-UTUOFQBUSA-N 2 2 241.379 0.912 20 0 BCADLP C[C@@H]1CC[C@@H](C)N(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653093033 409692687 /nfs/dbraw/zinc/69/26/87/409692687.db2.gz UABXJDPSIRMXHB-IJLUTSLNSA-N 2 2 241.379 0.912 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccsc1 ZINC000653091448 409670209 /nfs/dbraw/zinc/67/02/09/409670209.db2.gz VGUJPJAQZKZKGI-VIFPVBQESA-N 2 2 227.333 0.966 20 0 BCADLP CC[C@H]([NH2+]C)C(=O)NCCNc1cccc[nH+]1 ZINC000662371117 409679348 /nfs/dbraw/zinc/67/93/48/409679348.db2.gz JTPRMLBEGVQBNB-JTQLQIEISA-N 2 2 236.319 0.608 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662586357 409772014 /nfs/dbraw/zinc/77/20/14/409772014.db2.gz SQDXHRBHMMFBBZ-HTQZYQBOSA-N 2 2 210.281 0.351 20 0 BCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662586357 409772018 /nfs/dbraw/zinc/77/20/18/409772018.db2.gz SQDXHRBHMMFBBZ-HTQZYQBOSA-N 2 2 210.281 0.351 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000653096596 409718593 /nfs/dbraw/zinc/71/85/93/409718593.db2.gz PVTQRCVXYRLCKH-AXFHLTTASA-N 2 2 239.363 0.380 20 0 BCADLP CC1(C)CC[NH2+][C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000662664986 409821666 /nfs/dbraw/zinc/82/16/66/409821666.db2.gz YUYMATQMGBLDSI-JTQLQIEISA-N 2 2 236.319 0.387 20 0 BCADLP [NH3+]C1(CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000662691653 409839198 /nfs/dbraw/zinc/83/91/98/409839198.db2.gz KQGRJGREKWCGDR-SNVBAGLBSA-N 2 2 248.330 0.997 20 0 BCADLP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H]1C ZINC000653102520 409795224 /nfs/dbraw/zinc/79/52/24/409795224.db2.gz ZTYQQQKYSQVTJP-GMTAPVOTSA-N 2 2 227.352 0.522 20 0 BCADLP CCCC1(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653104767 409798164 /nfs/dbraw/zinc/79/81/64/409798164.db2.gz UGFPUXFPTUTHMW-NSHDSACASA-N 2 2 241.379 0.962 20 0 BCADLP CC[C@@H](C)CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000662628050 409798352 /nfs/dbraw/zinc/79/83/52/409798352.db2.gz WIAYNSLHZQOMIH-MNOVXSKESA-N 2 2 229.368 0.818 20 0 BCADLP CC[C@@H](C)CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000662628049 409798366 /nfs/dbraw/zinc/79/83/66/409798366.db2.gz WIAYNSLHZQOMIH-GHMZBOCLSA-N 2 2 229.368 0.818 20 0 BCADLP Cc1ncccc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653108250 409810279 /nfs/dbraw/zinc/81/02/79/409810279.db2.gz OWZIMJJGCFJFRI-SNVBAGLBSA-N 2 2 236.319 0.608 20 0 BCADLP CC(=O)N[C@@H]1CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000660833126 409813930 /nfs/dbraw/zinc/81/39/30/409813930.db2.gz KXGZPILUFFSARV-GFCCVEGCSA-N 2 2 236.319 0.402 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000308858095 409925022 /nfs/dbraw/zinc/92/50/22/409925022.db2.gz OPVGKCMBHBYVKO-NSHDSACASA-N 2 2 218.341 0.266 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000308858095 409925028 /nfs/dbraw/zinc/92/50/28/409925028.db2.gz OPVGKCMBHBYVKO-NSHDSACASA-N 2 2 218.341 0.266 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000308858095 409925031 /nfs/dbraw/zinc/92/50/31/409925031.db2.gz OPVGKCMBHBYVKO-NSHDSACASA-N 2 2 218.341 0.266 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000308858095 409925037 /nfs/dbraw/zinc/92/50/37/409925037.db2.gz OPVGKCMBHBYVKO-NSHDSACASA-N 2 2 218.341 0.266 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000308858090 409925690 /nfs/dbraw/zinc/92/56/90/409925690.db2.gz OPVGKCMBHBYVKO-LLVKDONJSA-N 2 2 218.341 0.266 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000308858090 409925695 /nfs/dbraw/zinc/92/56/95/409925695.db2.gz OPVGKCMBHBYVKO-LLVKDONJSA-N 2 2 218.341 0.266 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000308858090 409925700 /nfs/dbraw/zinc/92/57/00/409925700.db2.gz OPVGKCMBHBYVKO-LLVKDONJSA-N 2 2 218.341 0.266 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000308858090 409925705 /nfs/dbraw/zinc/92/57/05/409925705.db2.gz OPVGKCMBHBYVKO-LLVKDONJSA-N 2 2 218.341 0.266 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H](C)C[NH2+]C ZINC000662899253 409971216 /nfs/dbraw/zinc/97/12/16/409971216.db2.gz FDNWYLFTCKYNNB-UWVGGRQHSA-N 2 2 238.335 0.936 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000662901187 409976346 /nfs/dbraw/zinc/97/63/46/409976346.db2.gz XAHPANDOUKPYFI-ZDCRXTMVSA-N 2 2 248.330 0.831 20 0 BCADLP C[NH2+]C[C@@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662933650 409979751 /nfs/dbraw/zinc/97/97/51/409979751.db2.gz JCYAVCJQAZCJBS-BDAKNGLRSA-N 2 2 224.308 0.453 20 0 BCADLP C[C@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)c1[nH+]ccn1C ZINC000662933646 409980700 /nfs/dbraw/zinc/98/07/00/409980700.db2.gz JBHZXYNONYBSPR-IUCAKERBSA-N 2 2 236.319 0.595 20 0 BCADLP C[NH2+]C[C@H](C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662933651 409981203 /nfs/dbraw/zinc/98/12/03/409981203.db2.gz JCYAVCJQAZCJBS-DTWKUNHWSA-N 2 2 224.308 0.453 20 0 BCADLP C[C@H]1CCCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653158135 410004223 /nfs/dbraw/zinc/00/42/23/410004223.db2.gz VZLQWVKMJWFHIE-RYUDHWBXSA-N 2 2 241.379 0.914 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CC=CCC1 ZINC000653174578 410149708 /nfs/dbraw/zinc/14/97/08/410149708.db2.gz YKBFSZMYPPARKU-WDEREUQCSA-N 2 2 225.336 0.490 20 0 BCADLP CC(C)([NH3+])CNC(=O)CCn1cc[nH+]c1 ZINC000132828188 410101482 /nfs/dbraw/zinc/10/14/82/410101482.db2.gz WBTCTUHSBLOEKO-UHFFFAOYSA-N 2 2 210.281 0.127 20 0 BCADLP C[C@@H]1SCC[C@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653176259 410151696 /nfs/dbraw/zinc/15/16/96/410151696.db2.gz ODUSVDCMOYANFI-IVZWLZJFSA-N 2 2 245.392 0.276 20 0 BCADLP C[C@@H]1SCC[C@@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653176258 410153347 /nfs/dbraw/zinc/15/33/47/410153347.db2.gz ODUSVDCMOYANFI-GUBZILKMSA-N 2 2 245.392 0.276 20 0 BCADLP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000655411636 410216440 /nfs/dbraw/zinc/21/64/40/410216440.db2.gz DTVYQGROHHDCIQ-NXEZZACHSA-N 2 2 234.303 0.005 20 0 BCADLP Cc1nnsc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308980484 410192082 /nfs/dbraw/zinc/19/20/82/410192082.db2.gz KDGBSADZVDXBIF-DTORHVGOSA-N 2 2 224.333 0.498 20 0 BCADLP Cc1nnsc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308980484 410192088 /nfs/dbraw/zinc/19/20/88/410192088.db2.gz KDGBSADZVDXBIF-DTORHVGOSA-N 2 2 224.333 0.498 20 0 BCADLP C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)(C)C ZINC000653257386 410239666 /nfs/dbraw/zinc/23/96/66/410239666.db2.gz WFGQGDGZMNDLFW-NXEZZACHSA-N 2 2 229.368 0.816 20 0 BCADLP Cc1c(C[NH2+]CC23CC(C2)C[NH2+]3)cnn1C ZINC000663499020 410275943 /nfs/dbraw/zinc/27/59/43/410275943.db2.gz UZKDSNITOADXFX-UHFFFAOYSA-N 2 2 220.320 0.570 20 0 BCADLP O=C(NC[C@H]1CCC[NH2+]1)[C@H]1CCc2[nH+]ccn2C1 ZINC000655416246 410220652 /nfs/dbraw/zinc/22/06/52/410220652.db2.gz MSEFNYWFOBPSCB-WDEREUQCSA-N 2 2 248.330 0.314 20 0 BCADLP [NH3+][C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000655452585 410292135 /nfs/dbraw/zinc/29/21/35/410292135.db2.gz WPMLHJFFSYCNAC-QWRGUYRKSA-N 2 2 248.330 0.299 20 0 BCADLP [NH3+][C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000655452583 410292770 /nfs/dbraw/zinc/29/27/70/410292770.db2.gz WPMLHJFFSYCNAC-GHMZBOCLSA-N 2 2 248.330 0.299 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCc2cccnc2)CCO1 ZINC000123844558 410302102 /nfs/dbraw/zinc/30/21/02/410302102.db2.gz ZPPSQLXPJRPSFJ-YPMHNXCESA-N 2 2 235.331 0.672 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCc2cccnc2)CCO1 ZINC000123844558 410302108 /nfs/dbraw/zinc/30/21/08/410302108.db2.gz ZPPSQLXPJRPSFJ-YPMHNXCESA-N 2 2 235.331 0.672 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000650743450 410378352 /nfs/dbraw/zinc/37/83/52/410378352.db2.gz TWXRBXBYNGJGBM-VEGXAWMVSA-N 2 2 240.347 0.663 20 0 BCADLP Cn1cc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])nn1 ZINC000650759668 410407062 /nfs/dbraw/zinc/40/70/62/410407062.db2.gz NUMZUDTYYKIUGS-MNOVXSKESA-N 2 2 223.324 0.565 20 0 BCADLP CC(C)(C)CC(=O)N1CC[NH+](CCC[NH3+])CC1 ZINC000037037761 166545389 /nfs/dbraw/zinc/54/53/89/166545389.db2.gz RQVBCSVGLHWVIX-UHFFFAOYSA-N 2 2 241.379 0.916 20 0 BCADLP CC[C@H]([NH2+]C[C@@H](C)S(C)(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000665299989 410833871 /nfs/dbraw/zinc/83/38/71/410833871.db2.gz VXFRUBRFBUKQQG-VWYCJHECSA-N 2 2 248.392 0.540 20 0 BCADLP CC(C)[NH2+]CC(=O)N1CC[NH+](C2CC2)CC1 ZINC000037827026 167096513 /nfs/dbraw/zinc/09/65/13/167096513.db2.gz QKZFPDFKQAAUKW-UHFFFAOYSA-N 2 2 225.336 0.291 20 0 BCADLP CC(C)[NH2+]CCN1CCc2c([nH+]cn2C)C1 ZINC000309339290 167107687 /nfs/dbraw/zinc/10/76/87/167107687.db2.gz JUDUQEMPZRSKOF-UHFFFAOYSA-N 2 2 222.336 0.776 20 0 BCADLP CC(C)OCC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357648194 167229824 /nfs/dbraw/zinc/22/98/24/167229824.db2.gz LCBCPAGIKLEQFD-UHFFFAOYSA-N 2 2 244.379 0.800 20 0 BCADLP CC(C)OCC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357648194 167229830 /nfs/dbraw/zinc/22/98/30/167229830.db2.gz LCBCPAGIKLEQFD-UHFFFAOYSA-N 2 2 244.379 0.800 20 0 BCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000049308639 167373772 /nfs/dbraw/zinc/37/37/72/167373772.db2.gz XXEZYIQFSVXGBX-VXGBXAGGSA-N 2 2 241.379 0.818 20 0 BCADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000049308639 167373774 /nfs/dbraw/zinc/37/37/74/167373774.db2.gz XXEZYIQFSVXGBX-VXGBXAGGSA-N 2 2 241.379 0.818 20 0 BCADLP CC(C)[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000361228303 167380429 /nfs/dbraw/zinc/38/04/29/167380429.db2.gz IPLJHHAJJCOXJX-NEPJUHHUSA-N 2 2 241.379 0.960 20 0 BCADLP CC(C)[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000361228303 167380431 /nfs/dbraw/zinc/38/04/31/167380431.db2.gz IPLJHHAJJCOXJX-NEPJUHHUSA-N 2 2 241.379 0.960 20 0 BCADLP CC(C)[C@@H](CCO)[NH2+]CCn1cc[nH+]c1 ZINC000274633311 167391103 /nfs/dbraw/zinc/39/11/03/167391103.db2.gz WVEFNZLSWNAYLU-LLVKDONJSA-N 2 2 211.309 0.880 20 0 BCADLP CCc1nc(C[NH+]2CCC(C[NH3+])CC2)no1 ZINC000044514580 411137228 /nfs/dbraw/zinc/13/72/28/411137228.db2.gz JNCSBDMZFHYSIH-UHFFFAOYSA-N 2 2 224.308 0.803 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC[C@]1(O)CCOC1 ZINC000651943185 411157390 /nfs/dbraw/zinc/15/73/90/411157390.db2.gz IXOQYBATFAZRBF-UTUOFQBUSA-N 2 2 228.336 0.068 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC[C@]1(O)CCOC1 ZINC000651943185 411157394 /nfs/dbraw/zinc/15/73/94/411157394.db2.gz IXOQYBATFAZRBF-UTUOFQBUSA-N 2 2 228.336 0.068 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000657898624 411158859 /nfs/dbraw/zinc/15/88/59/411158859.db2.gz FSHQSTOUDYGEQB-NEPJUHHUSA-N 2 2 237.351 0.598 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000657898624 411158863 /nfs/dbraw/zinc/15/88/63/411158863.db2.gz FSHQSTOUDYGEQB-NEPJUHHUSA-N 2 2 237.351 0.598 20 0 BCADLP [NH3+]CC12CCC(CC1)C[N@@H+]2[C@@H]1CCNC1=O ZINC000655942201 411161173 /nfs/dbraw/zinc/16/11/73/411161173.db2.gz LVEZBXDOPQVFDY-SQLBVSGCSA-N 2 2 223.320 0.078 20 0 BCADLP [NH3+]CC12CCC(CC1)C[N@H+]2[C@@H]1CCNC1=O ZINC000655942201 411161177 /nfs/dbraw/zinc/16/11/77/411161177.db2.gz LVEZBXDOPQVFDY-SQLBVSGCSA-N 2 2 223.320 0.078 20 0 BCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000659554358 411161832 /nfs/dbraw/zinc/16/18/32/411161832.db2.gz FWTCENLKGRGEHW-BDAKNGLRSA-N 2 2 239.323 0.677 20 0 BCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000659554358 411161835 /nfs/dbraw/zinc/16/18/35/411161835.db2.gz FWTCENLKGRGEHW-BDAKNGLRSA-N 2 2 239.323 0.677 20 0 BCADLP CC[N@@H+](CC(=O)N(C)C)C[C@H]1CCC[NH2+]C1 ZINC000043493549 411117858 /nfs/dbraw/zinc/11/78/58/411117858.db2.gz KSBQJLHBXGJOPU-NSHDSACASA-N 2 2 227.352 0.396 20 0 BCADLP CC[N@H+](CC(=O)N(C)C)C[C@H]1CCC[NH2+]C1 ZINC000043493549 411117860 /nfs/dbraw/zinc/11/78/60/411117860.db2.gz KSBQJLHBXGJOPU-NSHDSACASA-N 2 2 227.352 0.396 20 0 BCADLP CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000043617016 411123873 /nfs/dbraw/zinc/12/38/73/411123873.db2.gz FCCCBRFJQYBPNN-NEPJUHHUSA-N 2 2 241.379 0.914 20 0 BCADLP CCN(CC)C(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000043617016 411123874 /nfs/dbraw/zinc/12/38/74/411123874.db2.gz FCCCBRFJQYBPNN-NEPJUHHUSA-N 2 2 241.379 0.914 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCNC(=O)C1 ZINC000111826225 411181218 /nfs/dbraw/zinc/18/12/18/411181218.db2.gz XYTOOWUCNIRZHD-QWRGUYRKSA-N 2 2 236.319 0.530 20 0 BCADLP O=C1C[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)CCCN1 ZINC000111826563 411181282 /nfs/dbraw/zinc/18/12/82/411181282.db2.gz GKSOMIGVORQZFI-QWRGUYRKSA-N 2 2 237.347 0.481 20 0 BCADLP O=C1C[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)CCCN1 ZINC000111826563 411181283 /nfs/dbraw/zinc/18/12/83/411181283.db2.gz GKSOMIGVORQZFI-QWRGUYRKSA-N 2 2 237.347 0.481 20 0 BCADLP OCc1ccc(C[NH2+]CCC[NH+]2CCC2)o1 ZINC000655755009 411185137 /nfs/dbraw/zinc/18/51/37/411185137.db2.gz LEMOYUUFJHPHMT-UHFFFAOYSA-N 2 2 224.304 0.957 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC(C2CC2)C1 ZINC000656152602 411187127 /nfs/dbraw/zinc/18/71/27/411187127.db2.gz ZLMCYLIHZJXMPN-ZDUSSCGKSA-N 2 2 242.363 0.267 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC(C2CC2)C1 ZINC000656152602 411187130 /nfs/dbraw/zinc/18/71/30/411187130.db2.gz ZLMCYLIHZJXMPN-ZDUSSCGKSA-N 2 2 242.363 0.267 20 0 BCADLP [NH3+][C@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000656193015 411198121 /nfs/dbraw/zinc/19/81/21/411198121.db2.gz HVIDDIDJEZTTJR-NAKRPEOUSA-N 3 2 215.316 0.546 20 0 BCADLP C[NH2+]C[C@@H]1CCCN1Cc1cc[nH+]c(N)c1 ZINC000420292758 411201089 /nfs/dbraw/zinc/20/10/89/411201089.db2.gz PXXJYLXPDMWYDI-NSHDSACASA-N 2 2 220.320 0.848 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000652341032 411205240 /nfs/dbraw/zinc/20/52/40/411205240.db2.gz XWIUZLMNOHZGJP-ZDUSSCGKSA-N 2 2 234.347 1.000 20 0 BCADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000652341032 411205241 /nfs/dbraw/zinc/20/52/41/411205241.db2.gz XWIUZLMNOHZGJP-ZDUSSCGKSA-N 2 2 234.347 1.000 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000652339744 411205948 /nfs/dbraw/zinc/20/59/48/411205948.db2.gz KNUYJHUFYNTWCP-WDEREUQCSA-N 2 2 234.347 0.998 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000652339744 411205950 /nfs/dbraw/zinc/20/59/50/411205950.db2.gz KNUYJHUFYNTWCP-WDEREUQCSA-N 2 2 234.347 0.998 20 0 BCADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000652339618 411206046 /nfs/dbraw/zinc/20/60/46/411206046.db2.gz DANLVFXAJRWKLX-WDEREUQCSA-N 2 2 234.347 0.998 20 0 BCADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc2n(n1)CCC2 ZINC000652339618 411206048 /nfs/dbraw/zinc/20/60/48/411206048.db2.gz DANLVFXAJRWKLX-WDEREUQCSA-N 2 2 234.347 0.998 20 0 BCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc2n(n1)CCC2 ZINC000652339615 411206113 /nfs/dbraw/zinc/20/61/13/411206113.db2.gz DANLVFXAJRWKLX-GHMZBOCLSA-N 2 2 234.347 0.998 20 0 BCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc2n(n1)CCC2 ZINC000652339615 411206115 /nfs/dbraw/zinc/20/61/15/411206115.db2.gz DANLVFXAJRWKLX-GHMZBOCLSA-N 2 2 234.347 0.998 20 0 BCADLP COCC[NH2+]C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000652344769 411208107 /nfs/dbraw/zinc/20/81/07/411208107.db2.gz SEUOLKZPRXFOOJ-LBPRGKRZSA-N 3 2 241.379 0.296 20 0 BCADLP C[C@H]([NH3+])C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000652353333 411212536 /nfs/dbraw/zinc/21/25/36/411212536.db2.gz AEMUGKUAVFLZKB-JTQLQIEISA-N 2 2 223.324 0.337 20 0 BCADLP C[C@@H]([NH3+])[C@H](C)Nc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000420260823 411246694 /nfs/dbraw/zinc/24/66/94/411246694.db2.gz JSKROVOHDCVBKA-SFYZADRCSA-N 2 2 247.306 0.392 20 0 BCADLP COC[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655680270 411222626 /nfs/dbraw/zinc/22/26/26/411222626.db2.gz JABBAUFITPANOZ-YPMHNXCESA-N 2 2 242.363 0.864 20 0 BCADLP O=C1C[C@@H](C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CN1 ZINC000660092598 411228258 /nfs/dbraw/zinc/22/82/58/411228258.db2.gz ATLXTEOGWCHGTM-SNVBAGLBSA-N 2 2 248.330 0.725 20 0 BCADLP Cn1cnnc1[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000310408672 411236511 /nfs/dbraw/zinc/23/65/11/411236511.db2.gz MASYZILWJLTUIW-QWRGUYRKSA-N 2 2 235.335 0.562 20 0 BCADLP Cn1cnnc1[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000310408672 411236513 /nfs/dbraw/zinc/23/65/13/411236513.db2.gz MASYZILWJLTUIW-QWRGUYRKSA-N 2 2 235.335 0.562 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)C1 ZINC000310567396 411240659 /nfs/dbraw/zinc/24/06/59/411240659.db2.gz YCWPPEPBPNUIDK-STQMWFEESA-N 2 2 244.379 0.657 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)C1 ZINC000310567396 411240662 /nfs/dbraw/zinc/24/06/62/411240662.db2.gz YCWPPEPBPNUIDK-STQMWFEESA-N 2 2 244.379 0.657 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C)C1 ZINC000310567396 411240664 /nfs/dbraw/zinc/24/06/64/411240664.db2.gz YCWPPEPBPNUIDK-STQMWFEESA-N 2 2 244.379 0.657 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C)C1 ZINC000310567396 411240669 /nfs/dbraw/zinc/24/06/69/411240669.db2.gz YCWPPEPBPNUIDK-STQMWFEESA-N 2 2 244.379 0.657 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C)C1 ZINC000310567393 411241332 /nfs/dbraw/zinc/24/13/32/411241332.db2.gz YCWPPEPBPNUIDK-CHWSQXEVSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C)C1 ZINC000310567393 411241334 /nfs/dbraw/zinc/24/13/34/411241334.db2.gz YCWPPEPBPNUIDK-CHWSQXEVSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000310567393 411241336 /nfs/dbraw/zinc/24/13/36/411241336.db2.gz YCWPPEPBPNUIDK-CHWSQXEVSA-N 2 2 244.379 0.657 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](C)C1 ZINC000310567393 411241338 /nfs/dbraw/zinc/24/13/38/411241338.db2.gz YCWPPEPBPNUIDK-CHWSQXEVSA-N 2 2 244.379 0.657 20 0 BCADLP CC(C)[C@H]([NH3+])C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070645694 411271698 /nfs/dbraw/zinc/27/16/98/411271698.db2.gz JFUAIBGAMLKULK-VIFPVBQESA-N 2 2 210.281 0.351 20 0 BCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070645730 411271956 /nfs/dbraw/zinc/27/19/56/411271956.db2.gz GRZDCOZCZDTPDY-SCZZXKLOSA-N 2 2 224.308 0.742 20 0 BCADLP Cc1nc(N2CCC[C@H]3C[N@@H+](C)C[C@H]32)nc(N)[nH+]1 ZINC000631311051 411283325 /nfs/dbraw/zinc/28/33/25/411283325.db2.gz QUSMQTHQTXRFTM-VHSXEESVSA-N 2 2 248.334 0.293 20 0 BCADLP Cc1nc(N2CCC[C@H]3C[N@H+](C)C[C@H]32)nc(N)[nH+]1 ZINC000631311051 411283326 /nfs/dbraw/zinc/28/33/26/411283326.db2.gz QUSMQTHQTXRFTM-VHSXEESVSA-N 2 2 248.334 0.293 20 0 BCADLP C[N@@H+](CC(=O)N1CCCC1)C[C@@H]1CC[NH2+]C1 ZINC000051889644 411285943 /nfs/dbraw/zinc/28/59/43/411285943.db2.gz SAIIMEYXDQJUDS-LLVKDONJSA-N 2 2 225.336 0.150 20 0 BCADLP C[N@H+](CC(=O)N1CCCC1)C[C@@H]1CC[NH2+]C1 ZINC000051889644 411285946 /nfs/dbraw/zinc/28/59/46/411285946.db2.gz SAIIMEYXDQJUDS-LLVKDONJSA-N 2 2 225.336 0.150 20 0 BCADLP C[C@H]1C[NH2+]C[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000401691750 411286399 /nfs/dbraw/zinc/28/63/99/411286399.db2.gz HEDYZDHJWIIXIJ-MNOVXSKESA-N 3 2 208.309 0.471 20 0 BCADLP C[C@H]1C[NH2+]C[C@@H]([NH2+]CCn2ccnc2)C1 ZINC000401691750 411286402 /nfs/dbraw/zinc/28/64/02/411286402.db2.gz HEDYZDHJWIIXIJ-MNOVXSKESA-N 2 2 208.309 0.471 20 0 BCADLP CCN(C)C(=O)[C@H](C)[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC000401702620 411289499 /nfs/dbraw/zinc/28/94/99/411289499.db2.gz ATRSRWHOSVUMDX-OUAUKWLOSA-N 2 2 227.352 0.441 20 0 BCADLP CN1CCC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000629558994 411324647 /nfs/dbraw/zinc/32/46/47/411324647.db2.gz BSKDXALCLPVHSQ-OLZOCXBDSA-N 2 2 241.379 0.127 20 0 BCADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]CCC(N)=O ZINC000656702141 411326351 /nfs/dbraw/zinc/32/63/51/411326351.db2.gz MAVARSVELKPRRC-SECBINFHSA-N 2 2 213.325 0.324 20 0 BCADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]CCC(N)=O ZINC000656702141 411326355 /nfs/dbraw/zinc/32/63/55/411326355.db2.gz MAVARSVELKPRRC-SECBINFHSA-N 2 2 213.325 0.324 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](O)C1 ZINC000658351484 411353379 /nfs/dbraw/zinc/35/33/79/411353379.db2.gz XDVJXUTVDMAVOE-QSFUFRPTSA-N 2 2 210.321 0.582 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](O)C1 ZINC000658351484 411353380 /nfs/dbraw/zinc/35/33/80/411353380.db2.gz XDVJXUTVDMAVOE-QSFUFRPTSA-N 2 2 210.321 0.582 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](O)C1 ZINC000658351482 411354015 /nfs/dbraw/zinc/35/40/15/411354015.db2.gz XDVJXUTVDMAVOE-FSZOTQKASA-N 2 2 210.321 0.582 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](O)C1 ZINC000658351482 411354017 /nfs/dbraw/zinc/35/40/17/411354017.db2.gz XDVJXUTVDMAVOE-FSZOTQKASA-N 2 2 210.321 0.582 20 0 BCADLP C[N@H+](Cc1ccc(C(N)=O)cc1)CC(C)(C)[NH3+] ZINC000656784027 411360822 /nfs/dbraw/zinc/36/08/22/411360822.db2.gz XUINSAWMQWSJTH-UHFFFAOYSA-N 2 2 235.331 0.955 20 0 BCADLP C[N@@H+](Cc1ccc(C(N)=O)cc1)CC(C)(C)[NH3+] ZINC000656784027 411360827 /nfs/dbraw/zinc/36/08/27/411360827.db2.gz XUINSAWMQWSJTH-UHFFFAOYSA-N 2 2 235.331 0.955 20 0 BCADLP [NH3+]C1(C[NH2+][C@H]2CCC[NH2+]CC2)CCCC1 ZINC000656789655 411369032 /nfs/dbraw/zinc/36/90/32/411369032.db2.gz USBIQTXNCWXJLD-NSHDSACASA-N 3 2 211.353 0.990 20 0 BCADLP COC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000656703291 411339524 /nfs/dbraw/zinc/33/95/24/411339524.db2.gz XKEISRGPQHBKAJ-WDEREUQCSA-N 2 2 230.352 0.456 20 0 BCADLP COC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000656703291 411339528 /nfs/dbraw/zinc/33/95/28/411339528.db2.gz XKEISRGPQHBKAJ-WDEREUQCSA-N 2 2 230.352 0.456 20 0 BCADLP c1cn(CCn2cc(C[NH2+]C3CC3)nn2)c[nH+]1 ZINC000052575428 411375270 /nfs/dbraw/zinc/37/52/70/411375270.db2.gz XCCPLFZMHBDSHL-UHFFFAOYSA-N 2 2 232.291 0.427 20 0 BCADLP CC1CCN(C(=O)C[NH2+]CC2([NH3+])CCC2)CC1 ZINC000342124612 168172226 /nfs/dbraw/zinc/17/22/26/168172226.db2.gz KEXZLEHGHNFYCK-UHFFFAOYSA-N 2 2 239.363 0.716 20 0 BCADLP CC(C)[NH2+]CC(=O)Nc1ccc(N)[nH+]c1 ZINC000659293547 411390121 /nfs/dbraw/zinc/39/01/21/411390121.db2.gz FKQMRCUVBOGKMH-UHFFFAOYSA-N 2 2 208.265 0.600 20 0 BCADLP CCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369264403 168241115 /nfs/dbraw/zinc/24/11/15/168241115.db2.gz AZIBIFYXXZTYPY-NSHDSACASA-N 2 2 239.363 0.681 20 0 BCADLP CCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369264403 168241118 /nfs/dbraw/zinc/24/11/18/168241118.db2.gz AZIBIFYXXZTYPY-NSHDSACASA-N 2 2 239.363 0.681 20 0 BCADLP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227073293 168290213 /nfs/dbraw/zinc/29/02/13/168290213.db2.gz JNSQDKVYWPPWCP-QWRGUYRKSA-N 2 2 241.379 0.960 20 0 BCADLP CCC(C)(C)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227073293 168290216 /nfs/dbraw/zinc/29/02/16/168290216.db2.gz JNSQDKVYWPPWCP-QWRGUYRKSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@H]1CCC[N@H+](Cc2cn(C)nn2)[C@H]1CC[NH3+] ZINC000404382572 411392923 /nfs/dbraw/zinc/39/29/23/411392923.db2.gz NANZHDXOBOXTGE-JQWIXIFHSA-N 2 2 237.351 0.764 20 0 BCADLP C[C@H]1CCC[N@@H+](Cc2cn(C)nn2)[C@H]1CC[NH3+] ZINC000404382572 411392926 /nfs/dbraw/zinc/39/29/26/411392926.db2.gz NANZHDXOBOXTGE-JQWIXIFHSA-N 2 2 237.351 0.764 20 0 BCADLP CC1CCC(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653346172 411400615 /nfs/dbraw/zinc/40/06/15/411400615.db2.gz LIJCRIYHKNKEIY-MCIGGMRASA-N 2 2 241.379 0.960 20 0 BCADLP CCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657091678 411403618 /nfs/dbraw/zinc/40/36/18/411403618.db2.gz OJSDTFSLYJKBLX-UHFFFAOYSA-N 2 2 215.341 0.396 20 0 BCADLP CCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657091678 411403620 /nfs/dbraw/zinc/40/36/20/411403620.db2.gz OJSDTFSLYJKBLX-UHFFFAOYSA-N 2 2 215.341 0.396 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1CCCCC1 ZINC000653055975 411407106 /nfs/dbraw/zinc/40/71/06/411407106.db2.gz QTEBEHCJYMFYDH-LLVKDONJSA-N 2 2 227.352 0.714 20 0 BCADLP CC(C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653057120 411407750 /nfs/dbraw/zinc/40/77/50/411407750.db2.gz PIUKWEOSPRDGTG-VIFPVBQESA-N 2 2 201.314 0.038 20 0 BCADLP CC1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653057082 411407925 /nfs/dbraw/zinc/40/79/25/411407925.db2.gz NNYZPLXNAUKWER-NSHDSACASA-N 2 2 227.352 0.524 20 0 BCADLP CCCN(CC1CC1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653057639 411407941 /nfs/dbraw/zinc/40/79/41/411407941.db2.gz KLBSWYABVWCPDM-GFCCVEGCSA-N 2 2 241.379 0.914 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCc2ccccc21 ZINC000653057003 411407997 /nfs/dbraw/zinc/40/79/97/411407997.db2.gz IWSMFBUQXXHAMD-GFCCVEGCSA-N 2 2 247.342 0.855 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1CCCC1 ZINC000653057304 411408677 /nfs/dbraw/zinc/40/86/77/411408677.db2.gz YDZLMFCSWBZECP-SNVBAGLBSA-N 2 2 213.325 0.324 20 0 BCADLP CCC(CC)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653065060 411410652 /nfs/dbraw/zinc/41/06/52/411410652.db2.gz RKSUTFVDNYQFDU-NSHDSACASA-N 2 2 229.368 0.818 20 0 BCADLP CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000653068653 411411717 /nfs/dbraw/zinc/41/17/17/411411717.db2.gz LOEIUGMHBRKEFH-SNVBAGLBSA-N 2 2 213.325 0.276 20 0 BCADLP C[C@@H]1C[C@H]1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653070335 411412234 /nfs/dbraw/zinc/41/22/34/411412234.db2.gz RYAXFOPPVBPJJY-KXUCPTDWSA-N 2 2 213.325 0.038 20 0 BCADLP CC(C)CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000653071298 411412342 /nfs/dbraw/zinc/41/23/42/411412342.db2.gz BMWSARMDLLLXPN-LBPRGKRZSA-N 2 2 241.379 0.912 20 0 BCADLP CCC[C@@H](C)N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653072855 411413395 /nfs/dbraw/zinc/41/33/95/411413395.db2.gz HXBNLAOQGVTZEC-MNOVXSKESA-N 2 2 229.368 0.912 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C2CCOCC2)n1C ZINC000657316539 411462782 /nfs/dbraw/zinc/46/27/82/411462782.db2.gz OMNNKHXBLSDQHC-UHFFFAOYSA-N 2 2 209.293 0.997 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)C1(COC)CC1 ZINC000653593964 411429034 /nfs/dbraw/zinc/42/90/34/411429034.db2.gz YQIMTEDHHUAMBJ-NSHDSACASA-N 2 2 230.352 0.410 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)C1(COC)CC1 ZINC000653593964 411429037 /nfs/dbraw/zinc/42/90/37/411429037.db2.gz YQIMTEDHHUAMBJ-NSHDSACASA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)C1(COC)CC1 ZINC000653593964 411429038 /nfs/dbraw/zinc/42/90/38/411429038.db2.gz YQIMTEDHHUAMBJ-NSHDSACASA-N 2 2 230.352 0.410 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)C1(COC)CC1 ZINC000653593964 411429041 /nfs/dbraw/zinc/42/90/41/411429041.db2.gz YQIMTEDHHUAMBJ-NSHDSACASA-N 2 2 230.352 0.410 20 0 BCADLP CCO[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C[NH3+] ZINC000405539993 411433916 /nfs/dbraw/zinc/43/39/16/411433916.db2.gz RFGJAJDQZRDHQI-ZYHUDNBSSA-N 2 2 238.335 0.216 20 0 BCADLP CCO[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C[NH3+] ZINC000405539993 411433921 /nfs/dbraw/zinc/43/39/21/411433921.db2.gz RFGJAJDQZRDHQI-ZYHUDNBSSA-N 2 2 238.335 0.216 20 0 BCADLP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000659551545 411434841 /nfs/dbraw/zinc/43/48/41/411434841.db2.gz VEFYIUKGAHYZTN-YUMQZZPRSA-N 2 2 225.296 0.287 20 0 BCADLP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000659551545 411434844 /nfs/dbraw/zinc/43/48/44/411434844.db2.gz VEFYIUKGAHYZTN-YUMQZZPRSA-N 2 2 225.296 0.287 20 0 BCADLP Cc1c[nH]c(CNC[C@@H](O)C[NH+]2CCCC2)[nH+]1 ZINC000657325429 411464668 /nfs/dbraw/zinc/46/46/68/411464668.db2.gz IPSOBJDGPKQSFY-LLVKDONJSA-N 2 2 238.335 0.264 20 0 BCADLP C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000654736592 411437838 /nfs/dbraw/zinc/43/78/38/411437838.db2.gz CHWZJHPRPOEGNN-LLVKDONJSA-N 2 2 239.363 0.539 20 0 BCADLP C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000654736592 411437839 /nfs/dbraw/zinc/43/78/39/411437839.db2.gz CHWZJHPRPOEGNN-LLVKDONJSA-N 2 2 239.363 0.539 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H](F)C1 ZINC000653609680 411438418 /nfs/dbraw/zinc/43/84/18/411438418.db2.gz ZAMPMBYNTDFHDT-GRYCIOLGSA-N 2 2 232.343 0.979 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H](F)C1 ZINC000653609680 411438421 /nfs/dbraw/zinc/43/84/21/411438421.db2.gz ZAMPMBYNTDFHDT-GRYCIOLGSA-N 2 2 232.343 0.979 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000653609680 411438423 /nfs/dbraw/zinc/43/84/23/411438423.db2.gz ZAMPMBYNTDFHDT-GRYCIOLGSA-N 2 2 232.343 0.979 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000653609680 411438426 /nfs/dbraw/zinc/43/84/26/411438426.db2.gz ZAMPMBYNTDFHDT-GRYCIOLGSA-N 2 2 232.343 0.979 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC=CCC1 ZINC000653609869 411438475 /nfs/dbraw/zinc/43/84/75/411438475.db2.gz HWBLSEQLTLULKV-GFCCVEGCSA-N 2 2 228.336 0.187 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC=CCC1 ZINC000653609869 411438477 /nfs/dbraw/zinc/43/84/77/411438477.db2.gz HWBLSEQLTLULKV-GFCCVEGCSA-N 2 2 228.336 0.187 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC=CCC1 ZINC000653609869 411438481 /nfs/dbraw/zinc/43/84/81/411438481.db2.gz HWBLSEQLTLULKV-GFCCVEGCSA-N 2 2 228.336 0.187 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC=CCC1 ZINC000653609869 411438483 /nfs/dbraw/zinc/43/84/83/411438483.db2.gz HWBLSEQLTLULKV-GFCCVEGCSA-N 2 2 228.336 0.187 20 0 BCADLP C[N@H+](CCC[NH3+])CC(=O)N1CCc2ccccc21 ZINC000123284508 411440670 /nfs/dbraw/zinc/44/06/70/411440670.db2.gz BWZXXCOYDBZISK-UHFFFAOYSA-N 2 2 247.342 0.856 20 0 BCADLP C[N@@H+](CCC[NH3+])CC(=O)N1CCc2ccccc21 ZINC000123284508 411440672 /nfs/dbraw/zinc/44/06/72/411440672.db2.gz BWZXXCOYDBZISK-UHFFFAOYSA-N 2 2 247.342 0.856 20 0 BCADLP CCO[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1C[NH3+] ZINC000405847398 411443453 /nfs/dbraw/zinc/44/34/53/411443453.db2.gz IAJSSVXIZBZQTQ-ZYHUDNBSSA-N 2 2 238.335 0.216 20 0 BCADLP CCO[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1C[NH3+] ZINC000405847398 411443457 /nfs/dbraw/zinc/44/34/57/411443457.db2.gz IAJSSVXIZBZQTQ-ZYHUDNBSSA-N 2 2 238.335 0.216 20 0 BCADLP CC[C@@H](Cn1cncn1)[NH2+]CC[N@H+](C)CC ZINC000336732467 411443556 /nfs/dbraw/zinc/44/35/56/411443556.db2.gz JOIVSZYVQHKEJH-NSHDSACASA-N 2 2 225.340 0.598 20 0 BCADLP CC[C@@H](Cn1cncn1)[NH2+]CC[N@@H+](C)CC ZINC000336732467 411443558 /nfs/dbraw/zinc/44/35/58/411443558.db2.gz JOIVSZYVQHKEJH-NSHDSACASA-N 2 2 225.340 0.598 20 0 BCADLP C[C@H](NC(=O)NC(C)(C)C[NH3+])c1[nH+]ccn1C ZINC000659626683 411444122 /nfs/dbraw/zinc/44/41/22/411444122.db2.gz DJFDWNDTTXIYGU-QMMMGPOBSA-N 2 2 239.323 0.518 20 0 BCADLP C[NH+](C)CCCNCc1c[nH+]c2n1CCC2 ZINC000657287526 411447112 /nfs/dbraw/zinc/44/71/12/411447112.db2.gz PQUDFSOTGRGANQ-UHFFFAOYSA-N 2 2 222.336 0.871 20 0 BCADLP C[NH+](C)CCC[NH2+]Cc1cnc2n1CCC2 ZINC000657287526 411447115 /nfs/dbraw/zinc/44/71/15/411447115.db2.gz PQUDFSOTGRGANQ-UHFFFAOYSA-N 2 2 222.336 0.871 20 0 BCADLP c1cn(CC[NH2+]Cc2cc3n(n2)CCC3)c[nH+]1 ZINC000657288438 411447943 /nfs/dbraw/zinc/44/79/43/411447943.db2.gz GNTCLEANJGUHHD-UHFFFAOYSA-N 2 2 231.303 0.816 20 0 BCADLP CC1CCC(NC(=O)C[N@H+](C)CCC[NH3+])CC1 ZINC000123327250 411448404 /nfs/dbraw/zinc/44/84/04/411448404.db2.gz BRXKGSYQHOXZSV-UHFFFAOYSA-N 2 2 241.379 0.962 20 0 BCADLP CC1CCC(NC(=O)C[N@@H+](C)CCC[NH3+])CC1 ZINC000123327250 411448406 /nfs/dbraw/zinc/44/84/06/411448406.db2.gz BRXKGSYQHOXZSV-UHFFFAOYSA-N 2 2 241.379 0.962 20 0 BCADLP C[C@@H]1CC[N@H+](CC(=O)NCc2c[nH+]c[nH]2)C1 ZINC000654819371 411451059 /nfs/dbraw/zinc/45/10/59/411451059.db2.gz GQJSOJCQZWIPFD-SECBINFHSA-N 2 2 222.292 0.368 20 0 BCADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2c[nH+]c[nH]2)C1 ZINC000654819371 411451061 /nfs/dbraw/zinc/45/10/61/411451061.db2.gz GQJSOJCQZWIPFD-SECBINFHSA-N 2 2 222.292 0.368 20 0 BCADLP C[C@@H]1CC[N@H+](CC(=O)NCc2c[nH]c[nH+]2)C1 ZINC000654819371 411451063 /nfs/dbraw/zinc/45/10/63/411451063.db2.gz GQJSOJCQZWIPFD-SECBINFHSA-N 2 2 222.292 0.368 20 0 BCADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2c[nH]c[nH+]2)C1 ZINC000654819371 411451065 /nfs/dbraw/zinc/45/10/65/411451065.db2.gz GQJSOJCQZWIPFD-SECBINFHSA-N 2 2 222.292 0.368 20 0 BCADLP CC(C)NC(=O)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657294102 411451887 /nfs/dbraw/zinc/45/18/87/411451887.db2.gz DJBPPIQAQPJDLH-UHFFFAOYSA-N 2 2 236.319 0.444 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H](C)C(C)(C)O)n1C ZINC000657342949 411469948 /nfs/dbraw/zinc/46/99/48/411469948.db2.gz UESJHPXEWVHNNK-QMMMGPOBSA-N 2 2 211.309 0.978 20 0 BCADLP Cc1nc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(C)o1 ZINC000659850463 411476214 /nfs/dbraw/zinc/47/62/14/411476214.db2.gz QCMKTNNWXJWYEH-GHMZBOCLSA-N 2 2 221.304 0.943 20 0 BCADLP Cc1nc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(C)o1 ZINC000659850465 411476430 /nfs/dbraw/zinc/47/64/30/411476430.db2.gz QCMKTNNWXJWYEH-QWRGUYRKSA-N 2 2 221.304 0.943 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407368895 411481931 /nfs/dbraw/zinc/48/19/31/411481931.db2.gz LBSZWJHZTTWLQX-QWRGUYRKSA-N 2 2 248.330 0.865 20 0 BCADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@H](C)CO ZINC000657372797 411485513 /nfs/dbraw/zinc/48/55/13/411485513.db2.gz XDXJXBHXLHPXIL-NXEZZACHSA-N 2 2 223.320 0.936 20 0 BCADLP C[C@@H](CCO)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657384665 411489480 /nfs/dbraw/zinc/48/94/80/411489480.db2.gz RHUYAFDNDULFEM-JTQLQIEISA-N 2 2 223.320 0.937 20 0 BCADLP OC[C@H]1C=C[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657397627 411494812 /nfs/dbraw/zinc/49/48/12/411494812.db2.gz CNWPWZUBIYRZLV-WDEREUQCSA-N 2 2 233.315 0.856 20 0 BCADLP Cc1c[nH]c(CNC[C@@](C)(O)C[NH+](C)C)[nH+]1 ZINC000657415287 411500234 /nfs/dbraw/zinc/50/02/34/411500234.db2.gz IDXIRSSJLLVBMK-LLVKDONJSA-N 2 2 226.324 0.120 20 0 BCADLP OC[C@H](CC(F)F)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657449445 411511169 /nfs/dbraw/zinc/51/11/69/411511169.db2.gz XZSZDZITIYPBHZ-QMMMGPOBSA-N 2 2 245.273 0.935 20 0 BCADLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657459115 411517011 /nfs/dbraw/zinc/51/70/11/411517011.db2.gz UEBOKGSHBZYTID-BXKDBHETSA-N 2 2 248.330 0.444 20 0 BCADLP C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657459118 411517267 /nfs/dbraw/zinc/51/72/67/411517267.db2.gz UEBOKGSHBZYTID-SKDRFNHKSA-N 2 2 248.330 0.444 20 0 BCADLP CO[C@@](C)(CO)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000655808173 411521627 /nfs/dbraw/zinc/52/16/27/411521627.db2.gz SVRDZTCJUNRWJP-CYBMUJFWSA-N 2 2 249.314 0.821 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C2COCCOC2)n1C ZINC000657471991 411523086 /nfs/dbraw/zinc/52/30/86/411523086.db2.gz KZYHRBVDVOHNMK-UHFFFAOYSA-N 2 2 225.292 0.234 20 0 BCADLP CC(C)([NH3+])CCC(=O)NCCn1cc[nH+]c1 ZINC000069633997 411465886 /nfs/dbraw/zinc/46/58/86/411465886.db2.gz YZZUNPLYKVQJJA-UHFFFAOYSA-N 2 2 224.308 0.517 20 0 BCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCC[NH3+])[C@@H](C)C1 ZINC000336741143 170009513 /nfs/dbraw/zinc/00/95/13/170009513.db2.gz MYNRJZUWDGZZLX-NWDGAFQWSA-N 3 2 213.369 0.997 20 0 BCADLP CC[N@H+]1CC[C@@H]([NH+](C)CCC[NH3+])[C@@H](C)C1 ZINC000336741143 170009514 /nfs/dbraw/zinc/00/95/14/170009514.db2.gz MYNRJZUWDGZZLX-NWDGAFQWSA-N 3 2 213.369 0.997 20 0 BCADLP CC[NH+]1CC[C@@H]([N@H+](C)CCC[NH3+])[C@@H](C)C1 ZINC000336741143 170009515 /nfs/dbraw/zinc/00/95/15/170009515.db2.gz MYNRJZUWDGZZLX-NWDGAFQWSA-N 3 2 213.369 0.997 20 0 BCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCC[NH3+])[C@@H](C)C1 ZINC000336741143 170009517 /nfs/dbraw/zinc/00/95/17/170009517.db2.gz MYNRJZUWDGZZLX-NWDGAFQWSA-N 3 2 213.369 0.997 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@H](CO)CCF)n1C ZINC000657502800 411539159 /nfs/dbraw/zinc/53/91/59/411539159.db2.gz PWSFOFJMYBBAJH-VIFPVBQESA-N 2 2 215.272 0.539 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2nc(C)n[nH]2)C1 ZINC000355669792 170030763 /nfs/dbraw/zinc/03/07/63/170030763.db2.gz HTJWQPBVFFLUMK-KOLCDFICSA-N 2 2 237.351 0.585 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2nc(C)n[nH]2)C1 ZINC000355669792 170030764 /nfs/dbraw/zinc/03/07/64/170030764.db2.gz HTJWQPBVFFLUMK-KOLCDFICSA-N 2 2 237.351 0.585 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCC(=O)NC(C)C)C1 ZINC000358003529 170032251 /nfs/dbraw/zinc/03/22/51/170032251.db2.gz IRORQXPMWNZAOT-VXGBXAGGSA-N 2 2 241.379 0.831 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCC(=O)NC(C)C)C1 ZINC000358003529 170032253 /nfs/dbraw/zinc/03/22/53/170032253.db2.gz IRORQXPMWNZAOT-VXGBXAGGSA-N 2 2 241.379 0.831 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+]CCc2ncn(C)n2)[C@@H](C)C1 ZINC000358393799 170034494 /nfs/dbraw/zinc/03/44/94/170034494.db2.gz ZXPKWPVYLFSHPD-QWRGUYRKSA-N 2 2 237.351 0.287 20 0 BCADLP CC[N@H+]1C[C@H]([NH2+][C@@H](CCOC)COC)[C@@H](C)C1 ZINC000353638653 170037221 /nfs/dbraw/zinc/03/72/21/170037221.db2.gz BPDKBCPTHLBRPM-AVGNSLFASA-N 2 2 244.379 0.968 20 0 BCADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](CCOC)COC)[C@@H](C)C1 ZINC000353638653 170037222 /nfs/dbraw/zinc/03/72/22/170037222.db2.gz BPDKBCPTHLBRPM-AVGNSLFASA-N 2 2 244.379 0.968 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC000309049902 170037860 /nfs/dbraw/zinc/03/78/60/170037860.db2.gz QKRSPYFJUXUEAU-QJPTWQEYSA-N 2 2 212.337 0.953 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC000309049902 170037862 /nfs/dbraw/zinc/03/78/62/170037862.db2.gz QKRSPYFJUXUEAU-QJPTWQEYSA-N 2 2 212.337 0.953 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@]2(O)CCOC2)C1 ZINC000336675384 170038697 /nfs/dbraw/zinc/03/86/97/170038697.db2.gz AZYDQSWTEFPSLP-QJPTWQEYSA-N 2 2 228.336 0.068 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@]2(O)CCOC2)C1 ZINC000336675384 170038698 /nfs/dbraw/zinc/03/86/98/170038698.db2.gz AZYDQSWTEFPSLP-QJPTWQEYSA-N 2 2 228.336 0.068 20 0 BCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](CCO)COC)C1 ZINC000336776439 170039587 /nfs/dbraw/zinc/03/95/87/170039587.db2.gz FWEFJJPNTMOAMV-QJPTWQEYSA-N 2 2 230.352 0.314 20 0 BCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](CCO)COC)C1 ZINC000336776439 170039588 /nfs/dbraw/zinc/03/95/88/170039588.db2.gz FWEFJJPNTMOAMV-QJPTWQEYSA-N 2 2 230.352 0.314 20 0 BCADLP CCNC(=O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000362190106 170054460 /nfs/dbraw/zinc/05/44/60/170054460.db2.gz YZOXPBRPAGQLLX-UHFFFAOYSA-N 2 2 227.352 0.539 20 0 BCADLP CCNC(=O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000362190106 170054461 /nfs/dbraw/zinc/05/44/61/170054461.db2.gz YZOXPBRPAGQLLX-UHFFFAOYSA-N 2 2 227.352 0.539 20 0 BCADLP CCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336124884 170061611 /nfs/dbraw/zinc/06/16/11/170061611.db2.gz FRMDGNGVLLAFLO-GFCCVEGCSA-N 2 2 225.336 0.150 20 0 BCADLP CCNC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336124884 170061612 /nfs/dbraw/zinc/06/16/12/170061612.db2.gz FRMDGNGVLLAFLO-GFCCVEGCSA-N 2 2 225.336 0.150 20 0 BCADLP CCNC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336124884 170061613 /nfs/dbraw/zinc/06/16/13/170061613.db2.gz FRMDGNGVLLAFLO-GFCCVEGCSA-N 2 2 225.336 0.150 20 0 BCADLP CCNC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336124884 170061614 /nfs/dbraw/zinc/06/16/14/170061614.db2.gz FRMDGNGVLLAFLO-GFCCVEGCSA-N 2 2 225.336 0.150 20 0 BCADLP O=C1CCCN1CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657501895 411537406 /nfs/dbraw/zinc/53/74/06/411537406.db2.gz DOWQGDRDSKWYBQ-UHFFFAOYSA-N 2 2 248.330 0.541 20 0 BCADLP CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000358934757 170140166 /nfs/dbraw/zinc/14/01/66/170140166.db2.gz LBLSRKPJYMGPSD-YUMQZZPRSA-N 2 2 235.278 0.098 20 0 BCADLP COC[C@H](CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)OC ZINC000657555266 411549502 /nfs/dbraw/zinc/54/95/02/411549502.db2.gz UHYQBUHGHBFDGW-SDDRHHMPSA-N 2 2 230.352 0.578 20 0 BCADLP COC[C@H](CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)OC ZINC000657555266 411549504 /nfs/dbraw/zinc/54/95/04/411549504.db2.gz UHYQBUHGHBFDGW-SDDRHHMPSA-N 2 2 230.352 0.578 20 0 BCADLP CCOC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228545385 170222565 /nfs/dbraw/zinc/22/25/65/170222565.db2.gz CUEHAEAHMCWFLD-HBNTYKKESA-N 2 2 226.320 0.609 20 0 BCADLP CCOC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228545385 170222566 /nfs/dbraw/zinc/22/25/66/170222566.db2.gz CUEHAEAHMCWFLD-HBNTYKKESA-N 2 2 226.320 0.609 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C/C=C\CO)C[N@@H+]1C1CC1 ZINC000657592178 411556804 /nfs/dbraw/zinc/55/68/04/411556804.db2.gz FEMXAJBFBKAPSB-LVUHIJSRSA-N 2 2 210.321 0.750 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C/C=C\CO)C[N@H+]1C1CC1 ZINC000657592178 411556806 /nfs/dbraw/zinc/55/68/06/411556806.db2.gz FEMXAJBFBKAPSB-LVUHIJSRSA-N 2 2 210.321 0.750 20 0 BCADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C1(CO)CC1 ZINC000657601724 411558571 /nfs/dbraw/zinc/55/85/71/411558571.db2.gz CQBBTIVKQQJEQT-GMTAPVOTSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C1(CO)CC1 ZINC000657601724 411558573 /nfs/dbraw/zinc/55/85/73/411558573.db2.gz CQBBTIVKQQJEQT-GMTAPVOTSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)C1(CO)CC1 ZINC000657601735 411558777 /nfs/dbraw/zinc/55/87/77/411558777.db2.gz CQBBTIVKQQJEQT-VWYCJHECSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C1(CO)CC1 ZINC000657601735 411558779 /nfs/dbraw/zinc/55/87/79/411558779.db2.gz CQBBTIVKQQJEQT-VWYCJHECSA-N 2 2 212.337 0.687 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000224883687 170266627 /nfs/dbraw/zinc/26/66/27/170266627.db2.gz AAUYIPMWDYCMME-OUAUKWLOSA-N 2 2 228.336 0.997 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000224883687 170266629 /nfs/dbraw/zinc/26/66/29/170266629.db2.gz AAUYIPMWDYCMME-OUAUKWLOSA-N 2 2 228.336 0.997 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000227210059 170266720 /nfs/dbraw/zinc/26/67/20/170266720.db2.gz MOSOQWOWMIXGKD-KXUCPTDWSA-N 2 2 214.309 0.607 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000227210059 170266722 /nfs/dbraw/zinc/26/67/22/170266722.db2.gz MOSOQWOWMIXGKD-KXUCPTDWSA-N 2 2 214.309 0.607 20 0 BCADLP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227073181 170271753 /nfs/dbraw/zinc/27/17/53/170271753.db2.gz IQIMXAHQVGSWJB-AXFHLTTASA-N 2 2 228.336 0.997 20 0 BCADLP CCOC(=O)[C@H](CC)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227073181 170271754 /nfs/dbraw/zinc/27/17/54/170271754.db2.gz IQIMXAHQVGSWJB-AXFHLTTASA-N 2 2 228.336 0.997 20 0 BCADLP CCOC1CC([NH2+]CC[N@H+](CC)CCO)C1 ZINC000336778302 170328523 /nfs/dbraw/zinc/32/85/23/170328523.db2.gz KZOMDIMILHKEIP-UHFFFAOYSA-N 2 2 230.352 0.458 20 0 BCADLP CCOC1CC([NH2+]CC[N@@H+](CC)CCO)C1 ZINC000336778302 170328525 /nfs/dbraw/zinc/32/85/25/170328525.db2.gz KZOMDIMILHKEIP-UHFFFAOYSA-N 2 2 230.352 0.458 20 0 BCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CCOCC)C1 ZINC000663367044 411636123 /nfs/dbraw/zinc/63/61/23/411636123.db2.gz ZPVFVPHZTKJNIY-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CCOCC)C1 ZINC000663367044 411636128 /nfs/dbraw/zinc/63/61/28/411636128.db2.gz ZPVFVPHZTKJNIY-STQMWFEESA-N 2 2 244.379 0.848 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCNc2cnccn2)C1 ZINC000344634846 411639259 /nfs/dbraw/zinc/63/92/59/411639259.db2.gz CUOFORUMXSITGN-VXGBXAGGSA-N 2 2 249.362 0.818 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCNc2cnccn2)C1 ZINC000344634846 411639265 /nfs/dbraw/zinc/63/92/65/411639265.db2.gz CUOFORUMXSITGN-VXGBXAGGSA-N 2 2 249.362 0.818 20 0 BCADLP Cc1cc(NCC2=CC[N@H+](C)CC2)nc[nH+]1 ZINC000336759929 411647446 /nfs/dbraw/zinc/64/74/46/411647446.db2.gz JJDIRZYGMKEULN-UHFFFAOYSA-N 2 2 218.304 1.459 20 0 BCADLP Cc1cc(NCC2=CC[N@@H+](C)CC2)nc[nH+]1 ZINC000336759929 411647450 /nfs/dbraw/zinc/64/74/50/411647450.db2.gz JJDIRZYGMKEULN-UHFFFAOYSA-N 2 2 218.304 1.459 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H](CO)CC1CC1 ZINC000657700209 411582614 /nfs/dbraw/zinc/58/26/14/411582614.db2.gz MSYNQMHEPQEQPU-KGYLQXTDSA-N 2 2 226.364 0.935 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H](CO)CC1CC1 ZINC000657700209 411582616 /nfs/dbraw/zinc/58/26/16/411582616.db2.gz MSYNQMHEPQEQPU-KGYLQXTDSA-N 2 2 226.364 0.935 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660579696 411602855 /nfs/dbraw/zinc/60/28/55/411602855.db2.gz CRZITGPONLZARU-UHFFFAOYSA-N 2 2 236.319 0.567 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000660579696 411602857 /nfs/dbraw/zinc/60/28/57/411602857.db2.gz CRZITGPONLZARU-UHFFFAOYSA-N 2 2 236.319 0.567 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+]CCCn1cc[nH+]c1 ZINC000657818642 411606125 /nfs/dbraw/zinc/60/61/25/411606125.db2.gz SRLWKPJEIGRXOX-LLVKDONJSA-N 2 2 234.307 0.543 20 0 BCADLP C[C@@H](Cn1cncn1)[NH2+]CCCn1cc[nH+]c1 ZINC000657818645 411606242 /nfs/dbraw/zinc/60/62/42/411606242.db2.gz SRLWKPJEIGRXOX-NSHDSACASA-N 2 2 234.307 0.543 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000657843766 411610235 /nfs/dbraw/zinc/61/02/35/411610235.db2.gz HHPAJSLUUYNDNM-MNOVXSKESA-N 2 2 223.324 0.350 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000657843766 411610236 /nfs/dbraw/zinc/61/02/36/411610236.db2.gz HHPAJSLUUYNDNM-MNOVXSKESA-N 2 2 223.324 0.350 20 0 BCADLP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCCn2nccc21 ZINC000657876524 411615027 /nfs/dbraw/zinc/61/50/27/411615027.db2.gz XLDDVCQMNIJSCB-QWRGUYRKSA-N 2 2 238.335 0.230 20 0 BCADLP Cc1cc(NC[C@@H]2C[NH2+]CCO2)nc(C2CC2)[nH+]1 ZINC000333625360 411649960 /nfs/dbraw/zinc/64/99/60/411649960.db2.gz FTARYHYHQVDUSS-NSHDSACASA-N 2 2 248.330 1.063 20 0 BCADLP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000086727409 487536850 /nfs/dbraw/zinc/53/68/50/487536850.db2.gz OGXOQEVNORAPSW-ONGXEEELSA-N 2 2 220.320 0.749 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660841854 411654498 /nfs/dbraw/zinc/65/44/98/411654498.db2.gz IYFDJNFRCCHSIX-UHFFFAOYSA-N 2 2 237.263 0.412 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660841854 411654502 /nfs/dbraw/zinc/65/45/02/411654502.db2.gz IYFDJNFRCCHSIX-UHFFFAOYSA-N 2 2 237.263 0.412 20 0 BCADLP Cc1cc(NC(=O)C[N@H+](C)CCC[NH3+])on1 ZINC000133226312 411659093 /nfs/dbraw/zinc/65/90/93/411659093.db2.gz UIKRULYHZPBOJZ-UHFFFAOYSA-N 2 2 226.280 0.202 20 0 BCADLP Cc1cc(NC(=O)C[N@@H+](C)CCC[NH3+])on1 ZINC000133226312 411659098 /nfs/dbraw/zinc/65/90/98/411659098.db2.gz UIKRULYHZPBOJZ-UHFFFAOYSA-N 2 2 226.280 0.202 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663493965 411673332 /nfs/dbraw/zinc/67/33/32/411673332.db2.gz FTKHTCWGDFOQAV-LOWDOPEQSA-N 3 2 223.364 0.655 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663493965 411673338 /nfs/dbraw/zinc/67/33/38/411673338.db2.gz FTKHTCWGDFOQAV-LOWDOPEQSA-N 3 2 223.364 0.655 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663493450 411673623 /nfs/dbraw/zinc/67/36/23/411673623.db2.gz BSKCMOAHYJLPPT-QCNOEVLYSA-N 3 2 209.337 0.265 20 0 BCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663493450 411673624 /nfs/dbraw/zinc/67/36/24/411673624.db2.gz BSKCMOAHYJLPPT-QCNOEVLYSA-N 3 2 209.337 0.265 20 0 BCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@]12C[C@H]1C[NH2+]C2 ZINC000663494922 411675446 /nfs/dbraw/zinc/67/54/46/411675446.db2.gz LNRRRTIMMWKVKN-WISYIIOYSA-N 3 2 209.337 0.265 20 0 BCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@]12C[C@H]1C[NH2+]C2 ZINC000663494922 411675449 /nfs/dbraw/zinc/67/54/49/411675449.db2.gz LNRRRTIMMWKVKN-WISYIIOYSA-N 3 2 209.337 0.265 20 0 BCADLP C([N@H+](C1CC1)C1CC[NH2+]CC1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494818 411675500 /nfs/dbraw/zinc/67/55/00/411675500.db2.gz KZHCIDUOMXZGIN-RISCZKNCSA-N 3 2 235.375 0.812 20 0 BCADLP C([N@@H+](C1CC1)C1CC[NH2+]CC1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494818 411675504 /nfs/dbraw/zinc/67/55/04/411675504.db2.gz KZHCIDUOMXZGIN-RISCZKNCSA-N 3 2 235.375 0.812 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@]12C[C@H]1C[NH2+]C2 ZINC000663497276 411678993 /nfs/dbraw/zinc/67/89/93/411678993.db2.gz MMFRYAGQUFCTHH-WRWGMCAJSA-N 3 2 209.337 0.408 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@]12C[C@H]1C[NH2+]C2 ZINC000663497276 411678996 /nfs/dbraw/zinc/67/89/96/411678996.db2.gz MMFRYAGQUFCTHH-WRWGMCAJSA-N 3 2 209.337 0.408 20 0 BCADLP Cn1cc[nH+]c1CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000663506728 411689835 /nfs/dbraw/zinc/68/98/35/411689835.db2.gz OIPDIMMYJBTLPU-RKDXNWHRSA-N 2 2 212.272 0.291 20 0 BCADLP C(C[N@@H+]1CCOC2(C[NH2+]C2)C1)[C@@H]1CCOC1 ZINC000663510582 411692234 /nfs/dbraw/zinc/69/22/34/411692234.db2.gz PZNWHIKDDNRNOK-LLVKDONJSA-N 2 2 226.320 0.087 20 0 BCADLP C(C[N@H+]1CCOC2(C[NH2+]C2)C1)[C@@H]1CCOC1 ZINC000663510582 411692236 /nfs/dbraw/zinc/69/22/36/411692236.db2.gz PZNWHIKDDNRNOK-LLVKDONJSA-N 2 2 226.320 0.087 20 0 BCADLP C[C@@H]1C[C@H](C[N@@H+]2CCOC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC000663512206 411695844 /nfs/dbraw/zinc/69/58/44/411695844.db2.gz ZIXSLUQNCIPQTA-VXGBXAGGSA-N 3 2 239.363 0.049 20 0 BCADLP C[C@@H]1C[C@H](C[N@H+]2CCOC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC000663512206 411695847 /nfs/dbraw/zinc/69/58/47/411695847.db2.gz ZIXSLUQNCIPQTA-VXGBXAGGSA-N 3 2 239.363 0.049 20 0 BCADLP CC[N@H+](C)C[C@@H](O)CN(C)Cc1c[nH+]c[nH]1 ZINC000661090435 411700954 /nfs/dbraw/zinc/70/09/54/411700954.db2.gz PIECNYUCNNQZBL-LLVKDONJSA-N 2 2 226.324 0.154 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)CN(C)Cc1c[nH+]c[nH]1 ZINC000661090435 411700955 /nfs/dbraw/zinc/70/09/55/411700955.db2.gz PIECNYUCNNQZBL-LLVKDONJSA-N 2 2 226.324 0.154 20 0 BCADLP CC[N@H+](C)C[C@@H](O)CN(C)Cc1c[nH]c[nH+]1 ZINC000661090435 411700957 /nfs/dbraw/zinc/70/09/57/411700957.db2.gz PIECNYUCNNQZBL-LLVKDONJSA-N 2 2 226.324 0.154 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)CN(C)Cc1c[nH]c[nH+]1 ZINC000661090435 411700960 /nfs/dbraw/zinc/70/09/60/411700960.db2.gz PIECNYUCNNQZBL-LLVKDONJSA-N 2 2 226.324 0.154 20 0 BCADLP c1cc(NC[C@@H]2COCC[NH2+]2)nc(C2CC2)[nH+]1 ZINC000630533082 411701917 /nfs/dbraw/zinc/70/19/17/411701917.db2.gz QGNRHDPBGSSTRX-SNVBAGLBSA-N 2 2 234.303 0.754 20 0 BCADLP CCc1cc(NC[C@](C)([NH3+])COC)nc[nH+]1 ZINC000381569397 411768931 /nfs/dbraw/zinc/76/89/31/411768931.db2.gz VCSWXQIHYXMTPG-NSHDSACASA-N 2 2 224.308 0.815 20 0 BCADLP CCc1cc(NC[C@@](C)([NH3+])COC)nc[nH+]1 ZINC000381569391 411769522 /nfs/dbraw/zinc/76/95/22/411769522.db2.gz VCSWXQIHYXMTPG-LLVKDONJSA-N 2 2 224.308 0.815 20 0 BCADLP Cc1cc(N[C@H](CO)C[NH+](C)C)nc[nH+]1 ZINC000663910861 411771483 /nfs/dbraw/zinc/77/14/83/411771483.db2.gz QJTDKTDGPOBXOY-VIFPVBQESA-N 2 2 210.281 0.119 20 0 BCADLP CCc1cc(N[C@@H](CO)C[NH+](C)C)nc(C)[nH+]1 ZINC000663910944 411771684 /nfs/dbraw/zinc/77/16/84/411771684.db2.gz SIKXPGJXCZZBFV-LLVKDONJSA-N 2 2 238.335 0.682 20 0 BCADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(N)nc1 ZINC000647546445 411867177 /nfs/dbraw/zinc/86/71/77/411867177.db2.gz KNDKANNUJGSPSF-LLVKDONJSA-N 2 2 222.336 1.127 20 0 BCADLP CN1CC[N@H+](CCCn2cc[nH+]c2)CCC1=O ZINC000661806504 411885182 /nfs/dbraw/zinc/88/51/82/411885182.db2.gz CSVJEVQRXFNZFF-UHFFFAOYSA-N 2 2 236.319 0.437 20 0 BCADLP CN1CC[N@@H+](CCCn2cc[nH+]c2)CCC1=O ZINC000661806504 411885186 /nfs/dbraw/zinc/88/51/86/411885186.db2.gz CSVJEVQRXFNZFF-UHFFFAOYSA-N 2 2 236.319 0.437 20 0 BCADLP O[C@@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)C12CCC2 ZINC000661829483 411894247 /nfs/dbraw/zinc/89/42/47/411894247.db2.gz CAJUDHPKCGOLRG-WDEREUQCSA-N 2 2 221.304 0.776 20 0 BCADLP CCCC[N@H+](C)CCNc1nc(C)[nH+]c(N)n1 ZINC000631116833 411898896 /nfs/dbraw/zinc/89/88/96/411898896.db2.gz UOTQGHSIDKVBBN-UHFFFAOYSA-N 2 2 238.339 0.328 20 0 BCADLP CCCC[N@@H+](C)CCNc1nc(C)[nH+]c(N)n1 ZINC000631116833 411898899 /nfs/dbraw/zinc/89/88/99/411898899.db2.gz UOTQGHSIDKVBBN-UHFFFAOYSA-N 2 2 238.339 0.328 20 0 BCADLP CCCC[C@@H]([NH3+])C(=O)Nc1ccc(N)[nH+]c1 ZINC000442710920 411906601 /nfs/dbraw/zinc/90/66/01/411906601.db2.gz CYICXQFPAXSZCJ-SECBINFHSA-N 2 2 222.292 1.120 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cnc(N)s1 ZINC000414960222 411915184 /nfs/dbraw/zinc/91/51/84/411915184.db2.gz UNTXYDSLPRYIIY-CBAPKCEASA-N 2 2 226.349 0.955 20 0 BCADLP C[C@H]1CC[C@H]([NH2+]Cc2cnc(N)s2)C[NH2+]1 ZINC000629660117 411930107 /nfs/dbraw/zinc/93/01/07/411930107.db2.gz NXXVBUCZSCWUBI-YUMQZZPRSA-N 2 2 226.349 0.955 20 0 BCADLP Nc1cc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)ccn1 ZINC000621784395 411940422 /nfs/dbraw/zinc/94/04/22/411940422.db2.gz OIBIJOBFBRYFSG-WCQYABFASA-N 2 2 232.331 0.977 20 0 BCADLP Nc1cc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)ccn1 ZINC000621784395 411940426 /nfs/dbraw/zinc/94/04/26/411940426.db2.gz OIBIJOBFBRYFSG-WCQYABFASA-N 2 2 232.331 0.977 20 0 BCADLP Nc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000566916030 411941502 /nfs/dbraw/zinc/94/15/02/411941502.db2.gz WZLIAWLEWWROQO-NEPJUHHUSA-N 2 2 232.331 0.705 20 0 BCADLP Nc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000566916030 411941504 /nfs/dbraw/zinc/94/15/04/411941504.db2.gz WZLIAWLEWWROQO-NEPJUHHUSA-N 2 2 232.331 0.705 20 0 BCADLP CC(C)[C@H]1CN(Cc2cc[nH+]c(N)c2)CC[NH2+]1 ZINC000647928981 411880002 /nfs/dbraw/zinc/88/00/02/411880002.db2.gz AEIQECCAZGUYEW-GFCCVEGCSA-N 2 2 234.347 1.094 20 0 BCADLP C[C@H](O)[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000661768875 411881795 /nfs/dbraw/zinc/88/17/95/411881795.db2.gz ZAICVIWABOWAMY-WDEREUQCSA-N 2 2 209.293 0.728 20 0 BCADLP C[C@H](O)[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000661768875 411881799 /nfs/dbraw/zinc/88/17/99/411881799.db2.gz ZAICVIWABOWAMY-WDEREUQCSA-N 2 2 209.293 0.728 20 0 BCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000353164283 411882771 /nfs/dbraw/zinc/88/27/71/411882771.db2.gz FGEYHDJARDVJQO-UWVGGRQHSA-N 2 2 234.303 0.990 20 0 BCADLP CN(Cc1cc[nH+]c(N)c1)[C@@H]1CC[NH2+]C1 ZINC000573803088 411883771 /nfs/dbraw/zinc/88/37/71/411883771.db2.gz HIEKSCDRDBHWIJ-SNVBAGLBSA-N 2 2 206.293 0.458 20 0 BCADLP Nc1ncc(C[NH2+]C[C@H]2CCC[NH2+]2)s1 ZINC000566009754 411964696 /nfs/dbraw/zinc/96/46/96/411964696.db2.gz KJLSBCILDVUCPS-SSDOTTSWSA-N 2 2 212.322 0.567 20 0 BCADLP Cc1nc(N[C@H]2CCn3cc[nH+]c3C2)nc(N)[nH+]1 ZINC000631216528 411969430 /nfs/dbraw/zinc/96/94/30/411969430.db2.gz LAMHCGMCCYGKMC-QMMMGPOBSA-N 2 2 245.290 0.386 20 0 BCADLP Cc1nc(N)nc(N[C@H]2CCn3cc[nH+]c3C2)[nH+]1 ZINC000631216528 411969435 /nfs/dbraw/zinc/96/94/35/411969435.db2.gz LAMHCGMCCYGKMC-QMMMGPOBSA-N 2 2 245.290 0.386 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC2(COC2)C1 ZINC000662072426 411973796 /nfs/dbraw/zinc/97/37/96/411973796.db2.gz HWBXSIYOTGFWRM-UHFFFAOYSA-N 2 2 221.304 0.914 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCC2(COC2)C1 ZINC000662072426 411973800 /nfs/dbraw/zinc/97/38/00/411973800.db2.gz HWBXSIYOTGFWRM-UHFFFAOYSA-N 2 2 221.304 0.914 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC2(COC2)C1 ZINC000662072357 411974486 /nfs/dbraw/zinc/97/44/86/411974486.db2.gz HESAGLMNDZOXRS-NSHDSACASA-N 2 2 228.336 0.021 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(COC2)C1 ZINC000662072357 411974490 /nfs/dbraw/zinc/97/44/90/411974490.db2.gz HESAGLMNDZOXRS-NSHDSACASA-N 2 2 228.336 0.021 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC2(COC2)C1 ZINC000662072357 411974493 /nfs/dbraw/zinc/97/44/93/411974493.db2.gz HESAGLMNDZOXRS-NSHDSACASA-N 2 2 228.336 0.021 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC2(COC2)C1 ZINC000662072357 411974496 /nfs/dbraw/zinc/97/44/96/411974496.db2.gz HESAGLMNDZOXRS-NSHDSACASA-N 2 2 228.336 0.021 20 0 BCADLP Nc1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cn1 ZINC000647551682 411977157 /nfs/dbraw/zinc/97/71/57/411977157.db2.gz BWGXIXQYFWARAY-NSHDSACASA-N 2 2 236.319 0.213 20 0 BCADLP Nc1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cn1 ZINC000647551682 411977159 /nfs/dbraw/zinc/97/71/59/411977159.db2.gz BWGXIXQYFWARAY-NSHDSACASA-N 2 2 236.319 0.213 20 0 BCADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@@]1(C)CO ZINC000662140553 412001248 /nfs/dbraw/zinc/00/12/48/412001248.db2.gz CQTDZJQNFGZEBL-NEPJUHHUSA-N 2 2 223.320 0.833 20 0 BCADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@@]1(C)CO ZINC000662140553 412001249 /nfs/dbraw/zinc/00/12/49/412001249.db2.gz CQTDZJQNFGZEBL-NEPJUHHUSA-N 2 2 223.320 0.833 20 0 BCADLP Cn1c[nH+]cc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662038816 411956453 /nfs/dbraw/zinc/95/64/53/411956453.db2.gz TXJOLOGUZJGHHP-QWRGUYRKSA-N 2 2 221.304 0.888 20 0 BCADLP Cn1c[nH+]cc1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662038816 411956457 /nfs/dbraw/zinc/95/64/57/411956457.db2.gz TXJOLOGUZJGHHP-QWRGUYRKSA-N 2 2 221.304 0.888 20 0 BCADLP Nc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cn1 ZINC000647547548 411956949 /nfs/dbraw/zinc/95/69/49/411956949.db2.gz YXGFNZOZNWWNIN-JTQLQIEISA-N 2 2 206.293 0.505 20 0 BCADLP Nc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cn1 ZINC000647546581 411957403 /nfs/dbraw/zinc/95/74/03/411957403.db2.gz QEDPOXUGHAJAEQ-NSHDSACASA-N 2 2 220.320 0.896 20 0 BCADLP Nc1ncc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000570279910 411961902 /nfs/dbraw/zinc/96/19/02/411961902.db2.gz QULXSEPHRFYVNB-BDAKNGLRSA-N 2 2 238.360 0.767 20 0 BCADLP Nc1ncc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000570279910 411961907 /nfs/dbraw/zinc/96/19/07/411961907.db2.gz QULXSEPHRFYVNB-BDAKNGLRSA-N 2 2 238.360 0.767 20 0 BCADLP Cc1nnc([C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)[nH]1 ZINC000662265919 412058838 /nfs/dbraw/zinc/05/88/38/412058838.db2.gz UBMPXIHTHOCCOZ-KHQFGBGNSA-N 2 2 223.324 0.843 20 0 BCADLP Cc1nnc([C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)[nH]1 ZINC000662265919 412058841 /nfs/dbraw/zinc/05/88/41/412058841.db2.gz UBMPXIHTHOCCOZ-KHQFGBGNSA-N 2 2 223.324 0.843 20 0 BCADLP CCN1CC[C@@H]([N@@H+]2CCC[C@H](C[NH2+]C)C2)C1=O ZINC000662238007 412035798 /nfs/dbraw/zinc/03/57/98/412035798.db2.gz MFDIILYHGHYEGT-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP CCN1CC[C@@H]([N@H+]2CCC[C@H](C[NH2+]C)C2)C1=O ZINC000662238007 412035802 /nfs/dbraw/zinc/03/58/02/412035802.db2.gz MFDIILYHGHYEGT-VXGBXAGGSA-N 2 2 239.363 0.539 20 0 BCADLP COCCOCCOCCC[N@@H+]1CC[C@H]([NH3+])C1 ZINC000662242100 412038090 /nfs/dbraw/zinc/03/80/90/412038090.db2.gz BRNOADNKJLFRJX-LBPRGKRZSA-N 2 2 246.351 0.089 20 0 BCADLP COCCOCCOCCC[N@H+]1CC[C@H]([NH3+])C1 ZINC000662242100 412038092 /nfs/dbraw/zinc/03/80/92/412038092.db2.gz BRNOADNKJLFRJX-LBPRGKRZSA-N 2 2 246.351 0.089 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000662244702 412040794 /nfs/dbraw/zinc/04/07/94/412040794.db2.gz JTASGPQKCJQDIY-RKDXNWHRSA-N 2 2 220.263 0.834 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+]1CCO[C@@H]1CC1(F)F ZINC000662244702 412040797 /nfs/dbraw/zinc/04/07/97/412040797.db2.gz JTASGPQKCJQDIY-RKDXNWHRSA-N 2 2 220.263 0.834 20 0 BCADLP CCC[N@H+](C[C@H](COC)OC)[C@@H]1CC[NH2+]C1 ZINC000662246124 412043091 /nfs/dbraw/zinc/04/30/91/412043091.db2.gz PRJJUPZJCGYURQ-VXGBXAGGSA-N 2 2 230.352 0.722 20 0 BCADLP CCC[N@@H+](C[C@H](COC)OC)[C@@H]1CC[NH2+]C1 ZINC000662246124 412043093 /nfs/dbraw/zinc/04/30/93/412043093.db2.gz PRJJUPZJCGYURQ-VXGBXAGGSA-N 2 2 230.352 0.722 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H](COC)OC ZINC000662247062 412044763 /nfs/dbraw/zinc/04/47/63/412044763.db2.gz XSPZWNJITUKYPM-QWRGUYRKSA-N 2 2 216.325 0.332 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H](COC)OC ZINC000662247062 412044765 /nfs/dbraw/zinc/04/47/65/412044765.db2.gz XSPZWNJITUKYPM-QWRGUYRKSA-N 2 2 216.325 0.332 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3C[NH2+]CCO3)C[C@H]21 ZINC000662267519 412060187 /nfs/dbraw/zinc/06/01/87/412060187.db2.gz WFLOHYKUNCFMIR-YVECIDJPSA-N 3 2 239.363 0.034 20 0 BCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3C[NH2+]CCO3)C[C@H]21 ZINC000662267519 412060191 /nfs/dbraw/zinc/06/01/91/412060191.db2.gz WFLOHYKUNCFMIR-YVECIDJPSA-N 3 2 239.363 0.034 20 0 BCADLP CCC(C)(C)CC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662286228 412052123 /nfs/dbraw/zinc/05/21/23/412052123.db2.gz NRHBUKGKWCCXRP-LLVKDONJSA-N 2 2 232.368 0.427 20 0 BCADLP CCC(C)(C)CC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662286228 412052127 /nfs/dbraw/zinc/05/21/27/412052127.db2.gz NRHBUKGKWCCXRP-LLVKDONJSA-N 2 2 232.368 0.427 20 0 BCADLP CC(C)(C)C[N@H+](CCCO)C[C@@H]1C[NH2+]CCO1 ZINC000662258927 412053666 /nfs/dbraw/zinc/05/36/66/412053666.db2.gz YJOAFUUXOHSFRK-LBPRGKRZSA-N 2 2 244.379 0.705 20 0 BCADLP CC(C)(C)C[N@@H+](CCCO)C[C@@H]1C[NH2+]CCO1 ZINC000662258927 412053669 /nfs/dbraw/zinc/05/36/69/412053669.db2.gz YJOAFUUXOHSFRK-LBPRGKRZSA-N 2 2 244.379 0.705 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000662259061 412054986 /nfs/dbraw/zinc/05/49/86/412054986.db2.gz PHOOSOJBGDFJAR-JHJVBQTASA-N 2 2 240.347 0.476 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000662259061 412054987 /nfs/dbraw/zinc/05/49/87/412054987.db2.gz PHOOSOJBGDFJAR-JHJVBQTASA-N 2 2 240.347 0.476 20 0 BCADLP C[NH2+]CCC[N@H+](C)[C@H]1CCCN(C)C1=O ZINC000662280397 412070945 /nfs/dbraw/zinc/07/09/45/412070945.db2.gz DBNXXXFATPWDBD-JTQLQIEISA-N 2 2 213.325 0.149 20 0 BCADLP C[NH2+]CCC[N@@H+](C)[C@H]1CCCN(C)C1=O ZINC000662280397 412070947 /nfs/dbraw/zinc/07/09/47/412070947.db2.gz DBNXXXFATPWDBD-JTQLQIEISA-N 2 2 213.325 0.149 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCOCC2(CCC2)C1 ZINC000662279676 412071523 /nfs/dbraw/zinc/07/15/23/412071523.db2.gz AVFKSAYENPGKQE-GFCCVEGCSA-N 2 2 240.347 0.477 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCOCC2(CCC2)C1 ZINC000662279676 412071526 /nfs/dbraw/zinc/07/15/26/412071526.db2.gz AVFKSAYENPGKQE-GFCCVEGCSA-N 2 2 240.347 0.477 20 0 BCADLP C[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)[C@@H]1CC[NH3+] ZINC000662286627 412077511 /nfs/dbraw/zinc/07/75/11/412077511.db2.gz SMBWFADGKKPOLA-FRRDWIJNSA-N 3 2 241.379 0.424 20 0 BCADLP C[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)[C@@H]1CC[NH3+] ZINC000662286627 412077514 /nfs/dbraw/zinc/07/75/14/412077514.db2.gz SMBWFADGKKPOLA-FRRDWIJNSA-N 3 2 241.379 0.424 20 0 BCADLP Cc1nocc1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000662281858 412072494 /nfs/dbraw/zinc/07/24/94/412072494.db2.gz QHQNMTJPOSRZKW-NSHDSACASA-N 2 2 225.292 0.533 20 0 BCADLP Cc1nocc1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000662281858 412072497 /nfs/dbraw/zinc/07/24/97/412072497.db2.gz QHQNMTJPOSRZKW-NSHDSACASA-N 2 2 225.292 0.533 20 0 BCADLP Cc1cc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)ncn1 ZINC000662281296 412073115 /nfs/dbraw/zinc/07/31/15/412073115.db2.gz MHMRADSFXFEECN-GFCCVEGCSA-N 2 2 236.319 0.335 20 0 BCADLP Cc1cc(C[N@H+]2CCCO[C@H](C[NH3+])C2)ncn1 ZINC000662281296 412073117 /nfs/dbraw/zinc/07/31/17/412073117.db2.gz MHMRADSFXFEECN-GFCCVEGCSA-N 2 2 236.319 0.335 20 0 BCADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccccn1 ZINC000662284582 412075648 /nfs/dbraw/zinc/07/56/48/412075648.db2.gz ZEDGYKIXXWIKKP-WDEREUQCSA-N 2 2 221.304 0.721 20 0 BCADLP CC[C@H](C)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000082668987 171285052 /nfs/dbraw/zinc/28/50/52/171285052.db2.gz ZVLICUTZGAAFKL-NWDGAFQWSA-N 2 2 213.369 0.868 20 0 BCADLP CC[C@H](C)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000082668987 171285054 /nfs/dbraw/zinc/28/50/54/171285054.db2.gz ZVLICUTZGAAFKL-NWDGAFQWSA-N 2 2 213.369 0.868 20 0 BCADLP CN1CCC[C@H]([N@H+](C)CC(C)(C)[NH3+])C1=O ZINC000662295822 412084476 /nfs/dbraw/zinc/08/44/76/412084476.db2.gz VNWCJCDKXIPGGP-VIFPVBQESA-N 2 2 213.325 0.276 20 0 BCADLP CN1CCC[C@H]([N@@H+](C)CC(C)(C)[NH3+])C1=O ZINC000662295822 412084478 /nfs/dbraw/zinc/08/44/78/412084478.db2.gz VNWCJCDKXIPGGP-VIFPVBQESA-N 2 2 213.325 0.276 20 0 BCADLP CC[C@H](C)[N@H+](CCO)CCn1cc[nH+]c1 ZINC000287567570 171314114 /nfs/dbraw/zinc/31/41/14/171314114.db2.gz XFOFDGFBVCPOLO-NSHDSACASA-N 2 2 211.309 0.976 20 0 BCADLP CC[C@H](C)[N@@H+](CCO)CCn1cc[nH+]c1 ZINC000287567570 171314116 /nfs/dbraw/zinc/31/41/16/171314116.db2.gz XFOFDGFBVCPOLO-NSHDSACASA-N 2 2 211.309 0.976 20 0 BCADLP CC[C@H](C)NC(=O)CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000358007073 171324075 /nfs/dbraw/zinc/32/40/75/171324075.db2.gz RKPNXQSWFWYWEM-WOPDTQHZSA-N 2 2 241.379 0.831 20 0 BCADLP CC[C@H](C)NC(=O)CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000358007073 171324076 /nfs/dbraw/zinc/32/40/76/171324076.db2.gz RKPNXQSWFWYWEM-WOPDTQHZSA-N 2 2 241.379 0.831 20 0 BCADLP CC[C@H](C)NC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000021958815 171324993 /nfs/dbraw/zinc/32/49/93/171324993.db2.gz PGJOPMKTJRFACW-VIFPVBQESA-N 2 2 213.325 0.324 20 0 BCADLP C[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)[C@H]1CC[NH3+] ZINC000662286832 412078336 /nfs/dbraw/zinc/07/83/36/412078336.db2.gz SMBWFADGKKPOLA-UPJWGTAASA-N 3 2 241.379 0.424 20 0 BCADLP C[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)[C@H]1CC[NH3+] ZINC000662286832 412078340 /nfs/dbraw/zinc/07/83/40/412078340.db2.gz SMBWFADGKKPOLA-UPJWGTAASA-N 3 2 241.379 0.424 20 0 BCADLP [NH3+]CC[N@H+](C[C@@H](O)CO)CC1CCCCCC1 ZINC000662288316 412078946 /nfs/dbraw/zinc/07/89/46/412078946.db2.gz ONCBUXZMONKMGI-CYBMUJFWSA-N 2 2 244.379 0.571 20 0 BCADLP [NH3+]CC[N@@H+](C[C@@H](O)CO)CC1CCCCCC1 ZINC000662288316 412078950 /nfs/dbraw/zinc/07/89/50/412078950.db2.gz ONCBUXZMONKMGI-CYBMUJFWSA-N 2 2 244.379 0.571 20 0 BCADLP CC(C)N1CC[C@H]([N@H+](C)CC(C)(C)[NH3+])C1=O ZINC000662293094 412081358 /nfs/dbraw/zinc/08/13/58/412081358.db2.gz NVOYKNDHCMQSHT-JTQLQIEISA-N 2 2 227.352 0.665 20 0 BCADLP CC(C)N1CC[C@H]([N@@H+](C)CC(C)(C)[NH3+])C1=O ZINC000662293094 412081361 /nfs/dbraw/zinc/08/13/61/412081361.db2.gz NVOYKNDHCMQSHT-JTQLQIEISA-N 2 2 227.352 0.665 20 0 BCADLP CC(C)N1CC[C@@H]([N@H+](C)CC(C)(C)[NH3+])C1=O ZINC000662293096 412082486 /nfs/dbraw/zinc/08/24/86/412082486.db2.gz NVOYKNDHCMQSHT-SNVBAGLBSA-N 2 2 227.352 0.665 20 0 BCADLP CC(C)N1CC[C@@H]([N@@H+](C)CC(C)(C)[NH3+])C1=O ZINC000662293096 412082489 /nfs/dbraw/zinc/08/24/89/412082489.db2.gz NVOYKNDHCMQSHT-SNVBAGLBSA-N 2 2 227.352 0.665 20 0 BCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000036999416 171395164 /nfs/dbraw/zinc/39/51/64/171395164.db2.gz XQEVGOFTPCKMSZ-DCAQKATOSA-N 2 2 238.335 0.761 20 0 BCADLP Cn1c[nH+]cc1CN1CC2CC1(C[NH3+])C2 ZINC000662304327 412088635 /nfs/dbraw/zinc/08/86/35/412088635.db2.gz NPTFPOONFORZBN-UHFFFAOYSA-N 2 2 206.293 0.343 20 0 BCADLP Cn1cc(CC[N@@H+]2CC3CC2(C[NH3+])C3)cn1 ZINC000662304350 412089232 /nfs/dbraw/zinc/08/92/32/412089232.db2.gz OQRBZPSZMDQUGT-UHFFFAOYSA-N 2 2 220.320 0.386 20 0 BCADLP Cn1cc(CC[N@H+]2CC3CC2(C[NH3+])C3)cn1 ZINC000662304350 412089238 /nfs/dbraw/zinc/08/92/38/412089238.db2.gz OQRBZPSZMDQUGT-UHFFFAOYSA-N 2 2 220.320 0.386 20 0 BCADLP CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000662316041 412096498 /nfs/dbraw/zinc/09/64/98/412096498.db2.gz HLMSHJFTEOEVFY-QWRGUYRKSA-N 2 2 227.352 0.570 20 0 BCADLP CC(C)NC(=O)[C@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000662316041 412096503 /nfs/dbraw/zinc/09/65/03/412096503.db2.gz HLMSHJFTEOEVFY-QWRGUYRKSA-N 2 2 227.352 0.570 20 0 BCADLP C[NH+](C)CCC[C@@H]1C[N@H+](CCC[NH3+])CCO1 ZINC000662327643 412105397 /nfs/dbraw/zinc/10/53/97/412105397.db2.gz SFJSAKLXQOFUAJ-GFCCVEGCSA-N 3 2 229.368 0.378 20 0 BCADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CCC[NH3+])CCO1 ZINC000662327643 412105402 /nfs/dbraw/zinc/10/54/02/412105402.db2.gz SFJSAKLXQOFUAJ-GFCCVEGCSA-N 3 2 229.368 0.378 20 0 BCADLP C[N@H+](C[C@H]1CC1(C)C)C[C@@H]1C[NH2+]CCO1 ZINC000662332557 412105835 /nfs/dbraw/zinc/10/58/35/412105835.db2.gz XACZHAOACPYSNS-MNOVXSKESA-N 2 2 212.337 0.953 20 0 BCADLP C[N@@H+](C[C@H]1CC1(C)C)C[C@@H]1C[NH2+]CCO1 ZINC000662332557 412105839 /nfs/dbraw/zinc/10/58/39/412105839.db2.gz XACZHAOACPYSNS-MNOVXSKESA-N 2 2 212.337 0.953 20 0 BCADLP CC[C@H]([NH2+]C)C(=O)Nc1cc[nH+]cc1O ZINC000662452205 412179997 /nfs/dbraw/zinc/17/99/97/412179997.db2.gz JKDNNUJVMKYBFP-ZETCQYMHSA-N 2 2 209.249 0.146 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)N[C@H]1CC[NH2+]C1 ZINC000665241159 412184170 /nfs/dbraw/zinc/18/41/70/412184170.db2.gz AUYIUYHSJDHAGW-ZJUUUORDSA-N 2 2 208.309 0.916 20 0 BCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1([NH3+])CCCC1 ZINC000665246581 412190647 /nfs/dbraw/zinc/19/06/47/412190647.db2.gz JCJNYMYYTLKRTF-VXGBXAGGSA-N 3 2 241.379 0.615 20 0 BCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1([NH3+])CCCC1 ZINC000665246580 412191755 /nfs/dbraw/zinc/19/17/55/412191755.db2.gz JCJNYMYYTLKRTF-RYUDHWBXSA-N 3 2 241.379 0.615 20 0 BCADLP CC[C@@H]([NH2+]C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000662524016 412203668 /nfs/dbraw/zinc/20/36/68/412203668.db2.gz ICPZOXHNHDCWHM-SNVBAGLBSA-N 2 2 207.277 0.748 20 0 BCADLP CC[C@@H]([NH2+]C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000662530392 412205869 /nfs/dbraw/zinc/20/58/69/412205869.db2.gz OOUHVHOCTXDGET-MRVPVSSYSA-N 2 2 210.281 0.066 20 0 BCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCC2(C)C)[C@@H](C[NH3+])C1 ZINC000662430065 412168476 /nfs/dbraw/zinc/16/84/76/412168476.db2.gz UHWKKFBNCWWEQK-WDEREUQCSA-N 2 2 239.363 0.524 20 0 BCADLP C[N@H+]1CCN(C(=O)[C@H]2CCC2(C)C)[C@@H](C[NH3+])C1 ZINC000662430065 412168478 /nfs/dbraw/zinc/16/84/78/412168478.db2.gz UHWKKFBNCWWEQK-WDEREUQCSA-N 2 2 239.363 0.524 20 0 BCADLP [NH3+][C@H]1C[C@H](C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000662736695 412289050 /nfs/dbraw/zinc/28/90/50/412289050.db2.gz ISHKEPNSZANXNC-XYPYZODXSA-N 2 2 244.298 0.688 20 0 BCADLP C[C@H]1[C@@H](Nc2cc[nH+]c(N(C)C)n2)CCC[N@@H+]1C ZINC000343612178 412275552 /nfs/dbraw/zinc/27/55/52/412275552.db2.gz VLNIHSGIPOZMBQ-QWRGUYRKSA-N 2 2 249.362 1.437 20 0 BCADLP C[C@H](CC(=O)NCC12CC(C1)C[NH2+]2)n1cc[nH+]c1 ZINC000662714678 412281603 /nfs/dbraw/zinc/28/16/03/412281603.db2.gz KQFUVMSKBJMANR-XSRFYTQQSA-N 2 2 248.330 0.702 20 0 BCADLP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C12CC(C1)C[NH2+]2 ZINC000665278097 412220390 /nfs/dbraw/zinc/22/03/90/412220390.db2.gz VBRWLSIUJSDWDK-DKNRTOFZSA-N 3 2 235.375 0.955 20 0 BCADLP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C12CC(C1)C[NH2+]2 ZINC000665278097 412220395 /nfs/dbraw/zinc/22/03/95/412220395.db2.gz VBRWLSIUJSDWDK-DKNRTOFZSA-N 3 2 235.375 0.955 20 0 BCADLP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000665278096 412222021 /nfs/dbraw/zinc/22/20/21/412222021.db2.gz VBRWLSIUJSDWDK-CEUNDQEZSA-N 3 2 235.375 0.955 20 0 BCADLP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000665278096 412222024 /nfs/dbraw/zinc/22/20/24/412222024.db2.gz VBRWLSIUJSDWDK-CEUNDQEZSA-N 3 2 235.375 0.955 20 0 BCADLP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C12CC(C1)C[NH2+]2 ZINC000665279742 412223430 /nfs/dbraw/zinc/22/34/30/412223430.db2.gz KUEKNUCFERJGOE-FMNWTUGISA-N 3 2 221.348 0.611 20 0 BCADLP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665280223 412224925 /nfs/dbraw/zinc/22/49/25/412224925.db2.gz WEUURQTWAJCFHU-QZQSVVMZSA-N 3 2 223.364 0.846 20 0 BCADLP CCC[NH2+][C@H](C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662584333 412228490 /nfs/dbraw/zinc/22/84/90/412228490.db2.gz AFEFUBWZLOURJG-SECBINFHSA-N 2 2 224.308 0.756 20 0 BCADLP CCC[NH2+][C@H](C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662584333 412228493 /nfs/dbraw/zinc/22/84/93/412228493.db2.gz AFEFUBWZLOURJG-SECBINFHSA-N 2 2 224.308 0.756 20 0 BCADLP CC[C@H]([NH2+]C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662584504 412228564 /nfs/dbraw/zinc/22/85/64/412228564.db2.gz BPZQDMJIUVNSSG-VIFPVBQESA-N 2 2 210.281 0.366 20 0 BCADLP CC[C@H]([NH2+]C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662584504 412228566 /nfs/dbraw/zinc/22/85/66/412228566.db2.gz BPZQDMJIUVNSSG-VIFPVBQESA-N 2 2 210.281 0.366 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662586733 412230352 /nfs/dbraw/zinc/23/03/52/412230352.db2.gz YGOZEMNDIYBLTE-VXGBXAGGSA-N 2 2 248.330 0.899 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662586733 412230354 /nfs/dbraw/zinc/23/03/54/412230354.db2.gz YGOZEMNDIYBLTE-VXGBXAGGSA-N 2 2 248.330 0.899 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662586730 412230893 /nfs/dbraw/zinc/23/08/93/412230893.db2.gz YGOZEMNDIYBLTE-NEPJUHHUSA-N 2 2 248.330 0.899 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662586730 412230896 /nfs/dbraw/zinc/23/08/96/412230896.db2.gz YGOZEMNDIYBLTE-NEPJUHHUSA-N 2 2 248.330 0.899 20 0 BCADLP C[C@H]([NH2+]CCNc1cnccn1)[C@@H]1CCCC[NH2+]1 ZINC000643463092 412237914 /nfs/dbraw/zinc/23/79/14/412237914.db2.gz CKUHYAMPLMKSPE-RYUDHWBXSA-N 2 2 249.362 1.009 20 0 BCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H](C)C[NH2+]C ZINC000665294772 412240258 /nfs/dbraw/zinc/24/02/58/412240258.db2.gz WJLBUOHMWKLBPN-MNOVXSKESA-N 2 2 229.368 0.831 20 0 BCADLP [NH3+]CCC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000662622348 412245166 /nfs/dbraw/zinc/24/51/66/412245166.db2.gz BLCVPDVHCBNAMT-UHFFFAOYSA-N 2 2 248.330 0.647 20 0 BCADLP C[NH2+]CC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000662623355 412245656 /nfs/dbraw/zinc/24/56/56/412245656.db2.gz MXLDTMXZMBITPK-UHFFFAOYSA-N 2 2 248.330 0.517 20 0 BCADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)S(C)(=O)=O ZINC000665299538 412246084 /nfs/dbraw/zinc/24/60/84/412246084.db2.gz OUDMPECMMUYSCS-LPEHRKFASA-N 2 2 234.365 0.150 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCOCCF ZINC000665298892 412247512 /nfs/dbraw/zinc/24/75/12/412247512.db2.gz BUVBBIOHWFAGQD-ZJUUUORDSA-N 2 2 204.289 0.560 20 0 BCADLP C[C@@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)S(C)(=O)=O ZINC000665298825 412248194 /nfs/dbraw/zinc/24/81/94/412248194.db2.gz AKFNECVBVYMVOB-KXUCPTDWSA-N 2 2 234.365 0.007 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CSC[NH2+]1 ZINC000662838256 412316724 /nfs/dbraw/zinc/31/67/24/412316724.db2.gz FUNWYZBIMWUIMT-MRVPVSSYSA-N 2 2 226.305 0.031 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662838020 412317563 /nfs/dbraw/zinc/31/75/63/412317563.db2.gz BRBBFTXTIBLVHX-JTQLQIEISA-N 2 2 236.319 0.756 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662838020 412317564 /nfs/dbraw/zinc/31/75/64/412317564.db2.gz BRBBFTXTIBLVHX-JTQLQIEISA-N 2 2 236.319 0.756 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H](C)[NH3+] ZINC000662899993 412339629 /nfs/dbraw/zinc/33/96/29/412339629.db2.gz JXEDAQAQOKGZEB-HTQZYQBOSA-N 2 2 210.281 0.427 20 0 BCADLP CC[C@@H]([NH3+])C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000662899618 412339754 /nfs/dbraw/zinc/33/97/54/412339754.db2.gz GXDOMEZLASMRDY-RKDXNWHRSA-N 2 2 224.308 0.818 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000662899622 412340306 /nfs/dbraw/zinc/34/03/06/412340306.db2.gz GYUNBEVLYKTXMR-ZJUUUORDSA-N 2 2 236.319 0.832 20 0 BCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H](C)[NH3+] ZINC000662899995 412340368 /nfs/dbraw/zinc/34/03/68/412340368.db2.gz JXEDAQAQOKGZEB-SFYZADRCSA-N 2 2 210.281 0.427 20 0 BCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H](C)[NH2+]C ZINC000662902586 412341308 /nfs/dbraw/zinc/34/13/08/412341308.db2.gz QFELCRWRMCFECA-BDAKNGLRSA-N 2 2 224.308 0.688 20 0 BCADLP CC(C)CC1(NC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000662926518 412346865 /nfs/dbraw/zinc/34/68/65/412346865.db2.gz UQJARRPHSVTWJS-LLVKDONJSA-N 2 2 241.379 0.960 20 0 BCADLP C[C@@H](NC(=O)[C@H]1CCCC[NH2+]1)c1[nH+]ccn1C ZINC000662935779 412349370 /nfs/dbraw/zinc/34/93/70/412349370.db2.gz ZQFKHAWVVTZUKS-NXEZZACHSA-N 2 2 236.319 0.739 20 0 BCADLP CN(C[C@H]1CC1(C)C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000662994356 412365374 /nfs/dbraw/zinc/36/53/74/412365374.db2.gz UIJSWWVUXCQJLT-MNOVXSKESA-N 2 2 241.379 0.770 20 0 BCADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)C[NH3+])ccn12 ZINC000662758017 412292515 /nfs/dbraw/zinc/29/25/15/412292515.db2.gz OPUSFKAXISDTOL-SECBINFHSA-N 2 2 246.314 0.967 20 0 BCADLP C[C@@H]([NH3+])C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000662761267 412293557 /nfs/dbraw/zinc/29/35/57/412293557.db2.gz OGKFAVOIJJUYDC-RKDXNWHRSA-N 2 2 236.319 0.677 20 0 BCADLP C[C@@]1(NC(=O)c2ccc3[nH+]ccn3c2)CC[NH2+]C1 ZINC000663012136 412369884 /nfs/dbraw/zinc/36/98/84/412369884.db2.gz UPQKRFTWHNTIRG-CYBMUJFWSA-N 2 2 244.298 0.816 20 0 BCADLP C[C@]1(NC(=O)c2ccc3[nH+]ccn3c2)CC[NH2+]C1 ZINC000663012137 412370162 /nfs/dbraw/zinc/37/01/62/412370162.db2.gz UPQKRFTWHNTIRG-ZDUSSCGKSA-N 2 2 244.298 0.816 20 0 BCADLP COc1c(N)[nH+]cnc1N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000663237820 412397918 /nfs/dbraw/zinc/39/79/18/412397918.db2.gz SXUXGSVBBWQMLZ-DTORHVGOSA-N 2 2 249.318 0.398 20 0 BCADLP C[NH2+]C1CCN(c2nc[nH+]c(N)c2OC)CC1 ZINC000663241092 412399078 /nfs/dbraw/zinc/39/90/78/412399078.db2.gz YZYFDSQCKTVFFQ-UHFFFAOYSA-N 2 2 237.307 0.256 20 0 BCADLP C[NH2+]C1CCN(c2[nH+]cnc(N)c2OC)CC1 ZINC000663241092 412399079 /nfs/dbraw/zinc/39/90/79/412399079.db2.gz YZYFDSQCKTVFFQ-UHFFFAOYSA-N 2 2 237.307 0.256 20 0 BCADLP C[NH+](C)C(C)(C)C[NH2+]C1CCS(=O)CC1 ZINC000042335966 172395030 /nfs/dbraw/zinc/39/50/30/172395030.db2.gz BRQJXKNZTTXEPS-UHFFFAOYSA-N 2 2 232.393 0.827 20 0 BCADLP Cn1c[nH+]cc1CNCC(C)(C)[NH+](C)C ZINC000082393875 172396080 /nfs/dbraw/zinc/39/60/80/172396080.db2.gz JDKXMQIJKZHRNV-UHFFFAOYSA-N 2 2 210.325 0.850 20 0 BCADLP C[NH+](C)CCC[NH2+][C@H]1CCn2ccnc21 ZINC000345360428 172443304 /nfs/dbraw/zinc/44/33/04/172443304.db2.gz ZEOWLHBETRUSRO-JTQLQIEISA-N 2 2 208.309 0.869 20 0 BCADLP Cn1c[nH+]cc1CN1CCC[C@H]([NH+](C)C)C1 ZINC000177281565 172536937 /nfs/dbraw/zinc/53/69/37/172536937.db2.gz KIXXVOBAMNXTQI-NSHDSACASA-N 2 2 222.336 0.946 20 0 BCADLP C[NH+](C)[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000283898046 172539443 /nfs/dbraw/zinc/53/94/43/172539443.db2.gz IYSSEHNMYQBDOU-UFFNRZRYSA-N 2 2 234.303 0.585 20 0 BCADLP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368488272 172624884 /nfs/dbraw/zinc/62/48/84/172624884.db2.gz ZSPXEAUWYBTFCE-MRVPVSSYSA-N 2 2 249.305 0.427 20 0 BCADLP Cn1cc[nH+]c1CN1CCC[N@H+](C)CC1 ZINC000267932829 173016197 /nfs/dbraw/zinc/01/61/97/173016197.db2.gz OTXAORPFAJJBGT-UHFFFAOYSA-N 2 2 208.309 0.558 20 0 BCADLP Cn1cc[nH+]c1CN1CCC[N@@H+](C)CC1 ZINC000267932829 173016199 /nfs/dbraw/zinc/01/61/99/173016199.db2.gz OTXAORPFAJJBGT-UHFFFAOYSA-N 2 2 208.309 0.558 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000336530182 173026142 /nfs/dbraw/zinc/02/61/42/173026142.db2.gz QVOBBOVEIJHEHN-SECBINFHSA-N 2 2 208.265 0.120 20 0 BCADLP C[N@H+]1CCC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000336530182 173026144 /nfs/dbraw/zinc/02/61/44/173026144.db2.gz QVOBBOVEIJHEHN-SECBINFHSA-N 2 2 208.265 0.120 20 0 BCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000336530182 173026145 /nfs/dbraw/zinc/02/61/45/173026145.db2.gz QVOBBOVEIJHEHN-SECBINFHSA-N 2 2 208.265 0.120 20 0 BCADLP C[N@H+]1CCC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000336530182 173026147 /nfs/dbraw/zinc/02/61/47/173026147.db2.gz QVOBBOVEIJHEHN-SECBINFHSA-N 2 2 208.265 0.120 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000287419098 173031185 /nfs/dbraw/zinc/03/11/85/173031185.db2.gz CWCAEFDFTVJRLR-SNVBAGLBSA-N 2 2 236.319 0.553 20 0 BCADLP C[N@H+]1CCC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000287419098 173031187 /nfs/dbraw/zinc/03/11/87/173031187.db2.gz CWCAEFDFTVJRLR-SNVBAGLBSA-N 2 2 236.319 0.553 20 0 BCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000263657338 173031945 /nfs/dbraw/zinc/03/19/45/173031945.db2.gz HNQLCXJNRJIZQF-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP C[N@H+]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000263657338 173031948 /nfs/dbraw/zinc/03/19/48/173031948.db2.gz HNQLCXJNRJIZQF-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000336597448 173048836 /nfs/dbraw/zinc/04/88/36/173048836.db2.gz WIUYWVRSRLASSB-NSHDSACASA-N 2 2 234.303 0.320 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000336597448 173048837 /nfs/dbraw/zinc/04/88/37/173048837.db2.gz WIUYWVRSRLASSB-NSHDSACASA-N 2 2 234.303 0.320 20 0 BCADLP Cn1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000377883972 173059953 /nfs/dbraw/zinc/05/99/53/173059953.db2.gz LWRIBVKRDHZMKJ-WCQYABFASA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000377883972 173059955 /nfs/dbraw/zinc/05/99/55/173059955.db2.gz LWRIBVKRDHZMKJ-WCQYABFASA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000377883972 173059956 /nfs/dbraw/zinc/05/99/56/173059956.db2.gz LWRIBVKRDHZMKJ-WCQYABFASA-N 2 2 249.362 0.731 20 0 BCADLP Cn1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000377883972 173059958 /nfs/dbraw/zinc/05/99/58/173059958.db2.gz LWRIBVKRDHZMKJ-WCQYABFASA-N 2 2 249.362 0.731 20 0 BCADLP CN(C)c1cc[nH+]cc1C(=O)N1CC[NH+](C)CC1 ZINC000183455895 173074251 /nfs/dbraw/zinc/07/42/51/173074251.db2.gz LHAKJGIVFNNJCV-UHFFFAOYSA-N 2 2 248.330 0.535 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCSC1 ZINC000082668923 173074985 /nfs/dbraw/zinc/07/49/85/173074985.db2.gz DUEKSSBKHIGICU-GHMZBOCLSA-N 2 2 229.393 0.327 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCSC1 ZINC000082668923 173074987 /nfs/dbraw/zinc/07/49/87/173074987.db2.gz DUEKSSBKHIGICU-GHMZBOCLSA-N 2 2 229.393 0.327 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]CC1=CCCOC1 ZINC000344445840 173075456 /nfs/dbraw/zinc/07/54/56/173075456.db2.gz PKCOOEMNEFMFFL-CYBMUJFWSA-N 2 2 239.363 0.169 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]CC1=CCCOC1 ZINC000344445840 173075458 /nfs/dbraw/zinc/07/54/58/173075458.db2.gz PKCOOEMNEFMFFL-CYBMUJFWSA-N 2 2 239.363 0.169 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1cccc(O)c1 ZINC000068803471 173077176 /nfs/dbraw/zinc/07/71/76/173077176.db2.gz NQHQUZWLRJOYFD-CYBMUJFWSA-N 2 2 249.358 0.728 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1cccc(O)c1 ZINC000068803471 173077179 /nfs/dbraw/zinc/07/71/79/173077179.db2.gz NQHQUZWLRJOYFD-CYBMUJFWSA-N 2 2 249.358 0.728 20 0 BCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1CCOC1(C)C ZINC000336896529 173077200 /nfs/dbraw/zinc/07/72/00/173077200.db2.gz NXYXZJCQJATXDS-RYUDHWBXSA-N 2 2 241.379 0.389 20 0 BCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CCOC1(C)C ZINC000336896529 173077202 /nfs/dbraw/zinc/07/72/02/173077202.db2.gz NXYXZJCQJATXDS-RYUDHWBXSA-N 2 2 241.379 0.389 20 0 BCADLP CN1CC[N@H+](CCCn2cc[nH+]c2)CC1=O ZINC000182793705 173082484 /nfs/dbraw/zinc/08/24/84/173082484.db2.gz CLQZLKZPCZICLU-UHFFFAOYSA-N 2 2 222.292 0.047 20 0 BCADLP CN1CC[N@@H+](CCCn2cc[nH+]c2)CC1=O ZINC000182793705 173082487 /nfs/dbraw/zinc/08/24/87/173082487.db2.gz CLQZLKZPCZICLU-UHFFFAOYSA-N 2 2 222.292 0.047 20 0 BCADLP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283951573 173111892 /nfs/dbraw/zinc/11/18/92/173111892.db2.gz LHSHUPURVDPTDH-PGLGOXFNSA-N 2 2 248.330 0.833 20 0 BCADLP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283951573 173111896 /nfs/dbraw/zinc/11/18/96/173111896.db2.gz LHSHUPURVDPTDH-PGLGOXFNSA-N 2 2 248.330 0.833 20 0 BCADLP CN1CC[C@@H]([N@H+](C)CCn2cc[nH+]c2)C1=O ZINC000270894878 173120663 /nfs/dbraw/zinc/12/06/63/173120663.db2.gz PVQSDFDIBPKLFN-SNVBAGLBSA-N 2 2 222.292 0.046 20 0 BCADLP CN1CC[C@@H]([N@@H+](C)CCn2cc[nH+]c2)C1=O ZINC000270894878 173120666 /nfs/dbraw/zinc/12/06/66/173120666.db2.gz PVQSDFDIBPKLFN-SNVBAGLBSA-N 2 2 222.292 0.046 20 0 BCADLP C[N@@H+]1CC[C@@H]2CC[NH+](CCOCCO)[C@H]2C1 ZINC000370532530 173130971 /nfs/dbraw/zinc/13/09/71/173130971.db2.gz BBKJSAVPYOIXJH-NEPJUHHUSA-N 2 2 228.336 0.021 20 0 BCADLP C[N@H+]1CC[C@@H]2CC[NH+](CCOCCO)[C@H]2C1 ZINC000370532530 173130974 /nfs/dbraw/zinc/13/09/74/173130974.db2.gz BBKJSAVPYOIXJH-NEPJUHHUSA-N 2 2 228.336 0.021 20 0 BCADLP C[NH+]1CC[C@@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC000370532530 173130976 /nfs/dbraw/zinc/13/09/76/173130976.db2.gz BBKJSAVPYOIXJH-NEPJUHHUSA-N 2 2 228.336 0.021 20 0 BCADLP C[NH+]1CC[C@@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC000370532530 173130978 /nfs/dbraw/zinc/13/09/78/173130978.db2.gz BBKJSAVPYOIXJH-NEPJUHHUSA-N 2 2 228.336 0.021 20 0 BCADLP Cn1ncc2c1nc[nH+]c2NC[C@H]1CC[N@H+](C)C1 ZINC000037647809 173146818 /nfs/dbraw/zinc/14/68/18/173146818.db2.gz XGERPDICQCGYLG-SECBINFHSA-N 2 2 246.318 0.727 20 0 BCADLP Cn1ncc2c1nc[nH+]c2NC[C@H]1CC[N@@H+](C)C1 ZINC000037647809 173146819 /nfs/dbraw/zinc/14/68/19/173146819.db2.gz XGERPDICQCGYLG-SECBINFHSA-N 2 2 246.318 0.727 20 0 BCADLP C[N@@H+]1CC[C@H]2CCN(Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC000378460470 173159283 /nfs/dbraw/zinc/15/92/83/173159283.db2.gz VIODEJVDSDKJCG-QWRGUYRKSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@H+]1CC[C@H]2CCN(Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC000378460470 173159284 /nfs/dbraw/zinc/15/92/84/173159284.db2.gz VIODEJVDSDKJCG-QWRGUYRKSA-N 2 2 220.320 0.936 20 0 BCADLP C[N@@H+]1CC[C@H]2CC[NH+](CCn3ccnc3)[C@H]2C1 ZINC000375231796 173159959 /nfs/dbraw/zinc/15/99/59/173159959.db2.gz YYMJAEDRZSASBH-STQMWFEESA-N 2 2 234.347 0.909 20 0 BCADLP C[N@H+]1CC[C@H]2CC[NH+](CCn3ccnc3)[C@H]2C1 ZINC000375231796 173159960 /nfs/dbraw/zinc/15/99/60/173159960.db2.gz YYMJAEDRZSASBH-STQMWFEESA-N 2 2 234.347 0.909 20 0 BCADLP C[NH+]1CC[C@H]2CC[N@H+](CCn3ccnc3)[C@H]2C1 ZINC000375231796 173159962 /nfs/dbraw/zinc/15/99/62/173159962.db2.gz YYMJAEDRZSASBH-STQMWFEESA-N 2 2 234.347 0.909 20 0 BCADLP C[NH+]1CC[C@H]2CC[N@@H+](CCn3ccnc3)[C@H]2C1 ZINC000375231796 173159965 /nfs/dbraw/zinc/15/99/65/173159965.db2.gz YYMJAEDRZSASBH-STQMWFEESA-N 2 2 234.347 0.909 20 0 BCADLP Cn1nncc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366537061 173168795 /nfs/dbraw/zinc/16/87/95/173168795.db2.gz UWXUWZNRXMQPKO-LBPRGKRZSA-N 2 2 235.335 0.343 20 0 BCADLP Cn1nncc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366537061 173168796 /nfs/dbraw/zinc/16/87/96/173168796.db2.gz UWXUWZNRXMQPKO-LBPRGKRZSA-N 2 2 235.335 0.343 20 0 BCADLP Cn1nncc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366537061 173168799 /nfs/dbraw/zinc/16/87/99/173168799.db2.gz UWXUWZNRXMQPKO-LBPRGKRZSA-N 2 2 235.335 0.343 20 0 BCADLP Cn1nncc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366537061 173168801 /nfs/dbraw/zinc/16/88/01/173168801.db2.gz UWXUWZNRXMQPKO-LBPRGKRZSA-N 2 2 235.335 0.343 20 0 BCADLP CNC(=O)CCC[N@H+](C)CCn1cc[nH+]c1 ZINC000133364448 173237944 /nfs/dbraw/zinc/23/79/44/173237944.db2.gz ATWQRBYVWJWEDH-UHFFFAOYSA-N 2 2 224.308 0.341 20 0 BCADLP CNC(=O)CCC[N@@H+](C)CCn1cc[nH+]c1 ZINC000133364448 173237946 /nfs/dbraw/zinc/23/79/46/173237946.db2.gz ATWQRBYVWJWEDH-UHFFFAOYSA-N 2 2 224.308 0.341 20 0 BCADLP CNC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267494766 173273025 /nfs/dbraw/zinc/27/30/25/173273025.db2.gz PULAXBAWPWYWBB-UHFFFAOYSA-N 2 2 222.292 0.335 20 0 BCADLP CNC(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000331143257 173274945 /nfs/dbraw/zinc/27/49/45/173274945.db2.gz HPFZHYWTSNPTCG-LLVKDONJSA-N 2 2 235.287 0.281 20 0 BCADLP CNC(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000331143257 173274946 /nfs/dbraw/zinc/27/49/46/173274946.db2.gz HPFZHYWTSNPTCG-LLVKDONJSA-N 2 2 235.287 0.281 20 0 BCADLP CNC(=O)C[C@@H](C)[NH2+][C@H](C)C[NH+](C)C ZINC000336645307 173281240 /nfs/dbraw/zinc/28/12/40/173281240.db2.gz BKOMEDGCKOEPSB-RKDXNWHRSA-N 2 2 201.314 0.051 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]CC[NH+]1CCCCC1 ZINC000309973097 173281999 /nfs/dbraw/zinc/28/19/99/173281999.db2.gz QRJAZRRRCZOOKD-NSHDSACASA-N 2 2 227.352 0.587 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000341906147 173282010 /nfs/dbraw/zinc/28/20/10/173282010.db2.gz XARLUYGDERLLHY-RYUDHWBXSA-N 2 2 241.379 0.975 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000341906147 173282011 /nfs/dbraw/zinc/28/20/11/173282011.db2.gz XARLUYGDERLLHY-RYUDHWBXSA-N 2 2 241.379 0.975 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000359087156 173282403 /nfs/dbraw/zinc/28/24/03/173282403.db2.gz WQXROGNSVJTPGN-RYUDHWBXSA-N 2 2 241.379 0.975 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000341985073 173282554 /nfs/dbraw/zinc/28/25/54/173282554.db2.gz ZRQIJBWIQICNDZ-JFGNBEQYSA-N 2 2 239.363 0.583 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000341985073 173282555 /nfs/dbraw/zinc/28/25/55/173282555.db2.gz ZRQIJBWIQICNDZ-JFGNBEQYSA-N 2 2 239.363 0.583 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353625261 173283079 /nfs/dbraw/zinc/28/30/79/173283079.db2.gz FSJZGKTUCKLSAG-IUCAKERBSA-N 2 2 236.319 0.381 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353625261 173283080 /nfs/dbraw/zinc/28/30/80/173283080.db2.gz FSJZGKTUCKLSAG-IUCAKERBSA-N 2 2 236.319 0.381 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000323065171 173283321 /nfs/dbraw/zinc/28/33/21/173283321.db2.gz UZCPGQSBQFCALQ-AXFHLTTASA-N 2 2 239.363 0.726 20 0 BCADLP CNC(=O)C[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000323065171 173283322 /nfs/dbraw/zinc/28/33/22/173283322.db2.gz UZCPGQSBQFCALQ-AXFHLTTASA-N 2 2 239.363 0.726 20 0 BCADLP CNC(=O)[C@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000330573858 173307832 /nfs/dbraw/zinc/30/78/32/173307832.db2.gz OBVLALIFULYBBI-WDEREUQCSA-N 2 2 236.319 0.387 20 0 BCADLP C[NH2+]C1CC[NH+](CCOCC(F)F)CC1 ZINC000234358679 173322834 /nfs/dbraw/zinc/32/28/34/173322834.db2.gz AWVSUQKDEOZOAX-UHFFFAOYSA-N 2 2 222.279 0.952 20 0 BCADLP C[NH2+]C1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000037536935 173323201 /nfs/dbraw/zinc/32/32/01/173323201.db2.gz QXIOPPSXOIUCGV-UHFFFAOYSA-N 2 2 239.363 0.683 20 0 BCADLP C[NH2+]CCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000357254028 173340740 /nfs/dbraw/zinc/34/07/40/173340740.db2.gz YBNXUYDIKUINCX-UHFFFAOYSA-N 2 2 232.287 0.560 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC2CC2)C1 ZINC000251021292 173367490 /nfs/dbraw/zinc/36/74/90/173367490.db2.gz DJBQJDBYEDGRAF-MNOVXSKESA-N 2 2 239.363 0.585 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC2CC2)C1 ZINC000251021292 173367491 /nfs/dbraw/zinc/36/74/91/173367491.db2.gz DJBQJDBYEDGRAF-MNOVXSKESA-N 2 2 239.363 0.585 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N[C@H](C)C(C)C)C1 ZINC000251348368 173369402 /nfs/dbraw/zinc/36/94/02/173369402.db2.gz RQGXULMLOUEPOI-NEPJUHHUSA-N 2 2 241.379 0.688 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N[C@H](C)C(C)C)C1 ZINC000251348368 173369403 /nfs/dbraw/zinc/36/94/03/173369403.db2.gz RQGXULMLOUEPOI-NEPJUHHUSA-N 2 2 241.379 0.688 20 0 BCADLP C[NH2+]C[C@@H]1CCCN1Cc1c[nH+]cn1C ZINC000133273600 173369494 /nfs/dbraw/zinc/36/94/94/173369494.db2.gz LRLLQAMUKQFUTG-JTQLQIEISA-N 2 2 208.309 0.604 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000071147556 173369968 /nfs/dbraw/zinc/36/99/68/173369968.db2.gz HHPKJHSWLSGUMN-NSHDSACASA-N 2 2 239.363 0.587 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000071147556 173369969 /nfs/dbraw/zinc/36/99/69/173369969.db2.gz HHPKJHSWLSGUMN-NSHDSACASA-N 2 2 239.363 0.587 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NC(C)C)C1 ZINC000070799841 173370088 /nfs/dbraw/zinc/37/00/88/173370088.db2.gz ZKAZIYDCEVVHTF-JTQLQIEISA-N 2 2 213.325 0.052 20 0 BCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NC(C)C)C1 ZINC000070799841 173370089 /nfs/dbraw/zinc/37/00/89/173370089.db2.gz ZKAZIYDCEVVHTF-JTQLQIEISA-N 2 2 213.325 0.052 20 0 BCADLP C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000238852813 173372653 /nfs/dbraw/zinc/37/26/53/173372653.db2.gz HFNATPOJGSXDFA-UWVGGRQHSA-N 2 2 226.299 0.552 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC000040601229 173378418 /nfs/dbraw/zinc/37/84/18/173378418.db2.gz PNOUUBPKALEIJC-SNVBAGLBSA-N 2 2 225.336 0.196 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC000040601229 173378419 /nfs/dbraw/zinc/37/84/19/173378419.db2.gz PNOUUBPKALEIJC-SNVBAGLBSA-N 2 2 225.336 0.196 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccnn2C)C1 ZINC000041045883 173378636 /nfs/dbraw/zinc/37/86/36/173378636.db2.gz ZIDYRBAPPPNYPI-LLVKDONJSA-N 2 2 222.336 0.852 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccnn2C)C1 ZINC000041045883 173378637 /nfs/dbraw/zinc/37/86/37/173378637.db2.gz ZIDYRBAPPPNYPI-LLVKDONJSA-N 2 2 222.336 0.852 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C(=O)NCC(C)C)C1 ZINC000071147610 173382023 /nfs/dbraw/zinc/38/20/23/173382023.db2.gz ZBSHFPDTYPFPBK-VXGBXAGGSA-N 2 2 241.379 0.688 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(=O)NCC(C)C)C1 ZINC000071147610 173382025 /nfs/dbraw/zinc/38/20/25/173382025.db2.gz ZBSHFPDTYPFPBK-VXGBXAGGSA-N 2 2 241.379 0.688 20 0 BCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C1 ZINC000071147609 173382137 /nfs/dbraw/zinc/38/21/37/173382137.db2.gz HORNWKUQWMCYSR-GHMZBOCLSA-N 2 2 241.379 0.831 20 0 BCADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(=O)NC(C)(C)C)C1 ZINC000071147609 173382139 /nfs/dbraw/zinc/38/21/39/173382139.db2.gz HORNWKUQWMCYSR-GHMZBOCLSA-N 2 2 241.379 0.831 20 0 BCADLP COC1(C[NH2+]C[C@H](C)[NH+](C)C)CCOCC1 ZINC000336770198 174002492 /nfs/dbraw/zinc/00/24/92/174002492.db2.gz SVLPXPMMECZHJU-NSHDSACASA-N 2 2 230.352 0.722 20 0 BCADLP COC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000043802203 174028164 /nfs/dbraw/zinc/02/81/64/174028164.db2.gz XERWKMGNHVJFMM-LLVKDONJSA-N 2 2 214.309 0.086 20 0 BCADLP COCCC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357648285 174216233 /nfs/dbraw/zinc/21/62/33/174216233.db2.gz LLBUCRIXHPILJX-UHFFFAOYSA-N 2 2 230.352 0.411 20 0 BCADLP COCCC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357648285 174216234 /nfs/dbraw/zinc/21/62/34/174216234.db2.gz LLBUCRIXHPILJX-UHFFFAOYSA-N 2 2 230.352 0.411 20 0 BCADLP COCC[N@H+](C)CCNCc1[nH]cc[nH+]1 ZINC000061377908 174276645 /nfs/dbraw/zinc/27/66/45/174276645.db2.gz BJVVADKBOZWCBW-UHFFFAOYSA-N 2 2 212.297 0.078 20 0 BCADLP COCC[N@@H+](C)CCNCc1[nH]cc[nH+]1 ZINC000061377908 174276647 /nfs/dbraw/zinc/27/66/47/174276647.db2.gz BJVVADKBOZWCBW-UHFFFAOYSA-N 2 2 212.297 0.078 20 0 BCADLP COCC[N@H+](C)CC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000356874529 174278596 /nfs/dbraw/zinc/27/85/96/174278596.db2.gz QLOPRQQDONDPFH-OLZOCXBDSA-N 2 2 244.379 0.969 20 0 BCADLP COCC[N@@H+](C)CC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000356874529 174278597 /nfs/dbraw/zinc/27/85/97/174278597.db2.gz QLOPRQQDONDPFH-OLZOCXBDSA-N 2 2 244.379 0.969 20 0 BCADLP COCC[NH+](CCOC)CC(C)(C)[NH3+] ZINC000042443014 174295682 /nfs/dbraw/zinc/29/56/82/174295682.db2.gz GBROFKILKCGGHL-UHFFFAOYSA-N 2 2 204.314 0.319 20 0 BCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]CC1(C)COC1 ZINC000352811551 174306572 /nfs/dbraw/zinc/30/65/72/174306572.db2.gz DXVKEHCNAUNEHJ-GFCCVEGCSA-N 2 2 242.363 0.723 20 0 BCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]CC1(C)COC1 ZINC000352811551 174306573 /nfs/dbraw/zinc/30/65/73/174306573.db2.gz DXVKEHCNAUNEHJ-GFCCVEGCSA-N 2 2 242.363 0.723 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CC[C@@H](C)OC)C1 ZINC000336777707 174312601 /nfs/dbraw/zinc/31/26/01/174312601.db2.gz JHHKGZAZMXSNFG-VXGBXAGGSA-N 2 2 230.352 0.722 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+]CC[C@@H](C)OC)C1 ZINC000336777707 174312602 /nfs/dbraw/zinc/31/26/02/174312602.db2.gz JHHKGZAZMXSNFG-VXGBXAGGSA-N 2 2 230.352 0.722 20 0 BCADLP COCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129153791 174313562 /nfs/dbraw/zinc/31/35/62/174313562.db2.gz VEHDHRZXMWVNMV-LBPRGKRZSA-N 2 2 228.336 0.287 20 0 BCADLP COCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129153791 174313564 /nfs/dbraw/zinc/31/35/64/174313564.db2.gz VEHDHRZXMWVNMV-LBPRGKRZSA-N 2 2 228.336 0.287 20 0 BCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCc2cn[nH]c2)C1 ZINC000289922304 174313728 /nfs/dbraw/zinc/31/37/28/174313728.db2.gz SKNKLJBQTZALBG-GFCCVEGCSA-N 2 2 238.335 0.263 20 0 BCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCc2cn[nH]c2)C1 ZINC000289922304 174313731 /nfs/dbraw/zinc/31/37/31/174313731.db2.gz SKNKLJBQTZALBG-GFCCVEGCSA-N 2 2 238.335 0.263 20 0 BCADLP CC[N@H+](CC[NH3+])Cc1ccn(C)c(=O)c1 ZINC000233454760 487630974 /nfs/dbraw/zinc/63/09/74/487630974.db2.gz MULPOQGBJSJOFW-UHFFFAOYSA-N 2 2 209.293 0.166 20 0 BCADLP CC[N@@H+](CC[NH3+])Cc1ccn(C)c(=O)c1 ZINC000233454760 487630977 /nfs/dbraw/zinc/63/09/77/487630977.db2.gz MULPOQGBJSJOFW-UHFFFAOYSA-N 2 2 209.293 0.166 20 0 BCADLP C[C@@H]1CCN(C(=O)C2C[NH2+]C2)C[C@H]1n1cc[nH+]c1 ZINC000367861625 176154667 /nfs/dbraw/zinc/15/46/67/176154667.db2.gz STQOTCSDJSOMPA-ZYHUDNBSSA-N 2 2 248.330 0.512 20 0 BCADLP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]1O ZINC000336713269 176172008 /nfs/dbraw/zinc/17/20/08/176172008.db2.gz OLIOPFWASNMNSM-KGYLQXTDSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]1O ZINC000336713269 176172010 /nfs/dbraw/zinc/17/20/10/176172010.db2.gz OLIOPFWASNMNSM-KGYLQXTDSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@H]1O ZINC000336713269 176172013 /nfs/dbraw/zinc/17/20/13/176172013.db2.gz OLIOPFWASNMNSM-KGYLQXTDSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H]1O ZINC000336713269 176172014 /nfs/dbraw/zinc/17/20/14/176172014.db2.gz OLIOPFWASNMNSM-KGYLQXTDSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@H]1O ZINC000336713272 176172382 /nfs/dbraw/zinc/17/23/82/176172382.db2.gz OLIOPFWASNMNSM-WXHSDQCUSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@H]1O ZINC000336713272 176172383 /nfs/dbraw/zinc/17/23/83/176172383.db2.gz OLIOPFWASNMNSM-WXHSDQCUSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@@H]1O ZINC000336713272 176172384 /nfs/dbraw/zinc/17/23/84/176172384.db2.gz OLIOPFWASNMNSM-WXHSDQCUSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@@H]1O ZINC000336713272 176172385 /nfs/dbraw/zinc/17/23/85/176172385.db2.gz OLIOPFWASNMNSM-WXHSDQCUSA-N 2 2 242.363 0.144 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000376909304 176185161 /nfs/dbraw/zinc/18/51/61/176185161.db2.gz UXVVBCNURFAAOV-VGMNWLOBSA-N 2 2 247.289 0.098 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000376909302 176185904 /nfs/dbraw/zinc/18/59/04/176185904.db2.gz UXVVBCNURFAAOV-HRDYMLBCSA-N 2 2 247.289 0.098 20 0 BCADLP C[C@@H]1CCOCC[N@@H+]1CCn1cc[nH+]c1 ZINC000374983671 176188739 /nfs/dbraw/zinc/18/87/39/176188739.db2.gz VUXWSPUFJGQLOD-LLVKDONJSA-N 2 2 209.293 0.994 20 0 BCADLP C[C@@H]1CCOCC[N@H+]1CCn1cc[nH+]c1 ZINC000374983671 176188742 /nfs/dbraw/zinc/18/87/42/176188742.db2.gz VUXWSPUFJGQLOD-LLVKDONJSA-N 2 2 209.293 0.994 20 0 BCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1[nH]cc[nH+]1 ZINC000330969191 176198680 /nfs/dbraw/zinc/19/86/80/176198680.db2.gz MDWHUDBKFMYYBS-NXEZZACHSA-N 2 2 236.319 0.899 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000674841448 487633223 /nfs/dbraw/zinc/63/32/23/487633223.db2.gz BXFPWDPWGONNRW-GHMZBOCLSA-N 2 2 236.319 0.340 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000674841448 487633226 /nfs/dbraw/zinc/63/32/26/487633226.db2.gz BXFPWDPWGONNRW-GHMZBOCLSA-N 2 2 236.319 0.340 20 0 BCADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1[NH+](C)C ZINC000284191362 176241081 /nfs/dbraw/zinc/24/10/81/176241081.db2.gz YZOXLJSAAIEOIY-DJVCXFJCSA-N 2 2 248.330 0.831 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000336506044 176271920 /nfs/dbraw/zinc/27/19/20/176271920.db2.gz OZAJKTBKNFUXGS-YPMHNXCESA-N 3 2 225.380 0.868 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000336506044 176271922 /nfs/dbraw/zinc/27/19/22/176271922.db2.gz OZAJKTBKNFUXGS-YPMHNXCESA-N 3 2 225.380 0.868 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](O)C(F)F ZINC000308661817 176273320 /nfs/dbraw/zinc/27/33/20/176273320.db2.gz QGWQROVUXRDFKZ-CSMHCCOUSA-N 2 2 208.252 0.152 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](O)C(F)F ZINC000308661817 176273321 /nfs/dbraw/zinc/27/33/21/176273321.db2.gz QGWQROVUXRDFKZ-CSMHCCOUSA-N 2 2 208.252 0.152 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000360769829 176273680 /nfs/dbraw/zinc/27/36/80/176273680.db2.gz CJZCTHGIXATDTG-LPWJVIDDSA-N 2 2 242.363 0.171 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000360769829 176273682 /nfs/dbraw/zinc/27/36/82/176273682.db2.gz CJZCTHGIXATDTG-LPWJVIDDSA-N 2 2 242.363 0.171 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000348154922 176274049 /nfs/dbraw/zinc/27/40/49/176274049.db2.gz HHMJVPQJMCPFQY-WISYIIOYSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000348154922 176274051 /nfs/dbraw/zinc/27/40/51/176274051.db2.gz HHMJVPQJMCPFQY-WISYIIOYSA-N 2 2 212.337 0.830 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000309120695 176274621 /nfs/dbraw/zinc/27/46/21/176274621.db2.gz NPTPKMVLYHGDLP-RCWTZXSCSA-N 2 2 212.337 0.686 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000309120695 176274623 /nfs/dbraw/zinc/27/46/23/176274623.db2.gz NPTPKMVLYHGDLP-RCWTZXSCSA-N 2 2 212.337 0.686 20 0 BCADLP C[C@@H]1CN(C)C[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000335605726 176277085 /nfs/dbraw/zinc/27/70/85/176277085.db2.gz GBXZXONWRDBNPX-ZYHUDNBSSA-N 2 2 211.353 0.620 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCC[NH+](C)C ZINC000336748663 176277308 /nfs/dbraw/zinc/27/73/08/176277308.db2.gz DLDIBRHFEJELAE-VXGBXAGGSA-N 3 2 213.369 0.868 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCC[NH+](C)C ZINC000336748663 176277309 /nfs/dbraw/zinc/27/73/09/176277309.db2.gz DLDIBRHFEJELAE-VXGBXAGGSA-N 3 2 213.369 0.868 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCOCC(F)F ZINC000336753181 176277541 /nfs/dbraw/zinc/27/75/41/176277541.db2.gz HINZXOVAOLIGMZ-RKDXNWHRSA-N 2 2 222.279 0.808 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCOCC(F)F ZINC000336753181 176277542 /nfs/dbraw/zinc/27/75/42/176277542.db2.gz HINZXOVAOLIGMZ-RKDXNWHRSA-N 2 2 222.279 0.808 20 0 BCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@]1(O)CCOC1 ZINC000340042479 176281682 /nfs/dbraw/zinc/28/16/82/176281682.db2.gz DXPDIAYQKYVKDB-WXHSDQCUSA-N 2 2 240.347 0.210 20 0 BCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@]1(O)CCOC1 ZINC000340042479 176281684 /nfs/dbraw/zinc/28/16/84/176281684.db2.gz DXPDIAYQKYVKDB-WXHSDQCUSA-N 2 2 240.347 0.210 20 0 BCADLP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CC(=O)N1C ZINC000281993151 176289103 /nfs/dbraw/zinc/28/91/03/176289103.db2.gz CNRDDQQALVXVJI-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CC(=O)N1C ZINC000281993151 176289104 /nfs/dbraw/zinc/28/91/04/176289104.db2.gz CNRDDQQALVXVJI-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000365335168 176328317 /nfs/dbraw/zinc/32/83/17/176328317.db2.gz TZLLVCUSMKCRBE-IWSPIJDZSA-N 2 2 247.289 0.098 20 0 BCADLP C[C@@H]1COCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000336612693 176332880 /nfs/dbraw/zinc/33/28/80/176332880.db2.gz GORBZASOACOGFV-NSHDSACASA-N 2 2 209.293 0.851 20 0 BCADLP C[C@@H]1COCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000336612693 176332882 /nfs/dbraw/zinc/33/28/82/176332882.db2.gz GORBZASOACOGFV-NSHDSACASA-N 2 2 209.293 0.851 20 0 BCADLP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000302164239 176344114 /nfs/dbraw/zinc/34/41/14/176344114.db2.gz LPZGJOKBBZPUFZ-JHJVBQTASA-N 2 2 241.379 0.247 20 0 BCADLP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000302164239 176344116 /nfs/dbraw/zinc/34/41/16/176344116.db2.gz LPZGJOKBBZPUFZ-JHJVBQTASA-N 2 2 241.379 0.247 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COCCO2)C[N@@H+]1C1CC1 ZINC000129210242 176376000 /nfs/dbraw/zinc/37/60/00/176376000.db2.gz RFZMLKONOITTHU-NQBHXWOUSA-N 2 2 240.347 0.617 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COCCO2)C[N@H+]1C1CC1 ZINC000129210242 176376001 /nfs/dbraw/zinc/37/60/01/176376001.db2.gz RFZMLKONOITTHU-NQBHXWOUSA-N 2 2 240.347 0.617 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CCOC2)C[N@@H+]1C1CC1 ZINC000300409575 176376344 /nfs/dbraw/zinc/37/63/44/176376344.db2.gz KFHWNQPLMHVGTM-NQBHXWOUSA-N 2 2 240.347 0.353 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CCOC2)C[N@H+]1C1CC1 ZINC000300409575 176376345 /nfs/dbraw/zinc/37/63/45/176376345.db2.gz KFHWNQPLMHVGTM-NQBHXWOUSA-N 2 2 240.347 0.353 20 0 BCADLP C[C@H](C[NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000285742946 176656327 /nfs/dbraw/zinc/65/63/27/176656327.db2.gz HWYUKWYNBNKEIP-SECBINFHSA-N 2 2 232.287 0.545 20 0 BCADLP C[C@H](O)C[C@H]1COCC[N@@H+]1CCn1cc[nH+]c1 ZINC000156888571 177002478 /nfs/dbraw/zinc/00/24/78/177002478.db2.gz NRVLPSOEMKREIL-RYUDHWBXSA-N 2 2 239.319 0.355 20 0 BCADLP C[C@H](O)C[C@H]1COCC[N@H+]1CCn1cc[nH+]c1 ZINC000156888571 177002480 /nfs/dbraw/zinc/00/24/80/177002480.db2.gz NRVLPSOEMKREIL-RYUDHWBXSA-N 2 2 239.319 0.355 20 0 BCADLP C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000336233507 177072073 /nfs/dbraw/zinc/07/20/73/177072073.db2.gz WBUALQBENCFKQW-UNXYVOJBSA-N 2 2 239.363 0.809 20 0 BCADLP C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000336233507 177072075 /nfs/dbraw/zinc/07/20/75/177072075.db2.gz WBUALQBENCFKQW-UNXYVOJBSA-N 2 2 239.363 0.809 20 0 BCADLP C[C@H](CCO)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000308650906 177235286 /nfs/dbraw/zinc/23/52/86/177235286.db2.gz KIXYCUUNPCISOX-VWYCJHECSA-N 2 2 200.326 0.545 20 0 BCADLP C[C@H](CCO)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000308650906 177235288 /nfs/dbraw/zinc/23/52/88/177235288.db2.gz KIXYCUUNPCISOX-VWYCJHECSA-N 2 2 200.326 0.545 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCOCC(F)F ZINC000336753180 177235627 /nfs/dbraw/zinc/23/56/27/177235627.db2.gz HINZXOVAOLIGMZ-IUCAKERBSA-N 2 2 222.279 0.808 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCOCC(F)F ZINC000336753180 177235630 /nfs/dbraw/zinc/23/56/30/177235630.db2.gz HINZXOVAOLIGMZ-IUCAKERBSA-N 2 2 222.279 0.808 20 0 BCADLP C[C@H]1CN(C)C[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000309136746 177235703 /nfs/dbraw/zinc/23/57/03/177235703.db2.gz SDWGEJSFNVTGNY-QWRGUYRKSA-N 2 2 208.309 0.423 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC000336761891 177235783 /nfs/dbraw/zinc/23/57/83/177235783.db2.gz NTBXEVOAJGUEOJ-ONGXEEELSA-N 2 2 208.309 0.492 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC000336761891 177235785 /nfs/dbraw/zinc/23/57/85/177235785.db2.gz NTBXEVOAJGUEOJ-ONGXEEELSA-N 2 2 208.309 0.492 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1cnn(C)c1 ZINC000336779475 177236669 /nfs/dbraw/zinc/23/66/69/177236669.db2.gz OJZQCACYKYORQG-JQWIXIFHSA-N 2 2 222.336 0.502 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1cnn(C)c1 ZINC000336779475 177236670 /nfs/dbraw/zinc/23/66/70/177236670.db2.gz OJZQCACYKYORQG-JQWIXIFHSA-N 2 2 222.336 0.502 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC000309808585 177237125 /nfs/dbraw/zinc/23/71/25/177237125.db2.gz SVWHFHYZCLNCOF-GXSJLCMTSA-N 2 2 225.336 0.052 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC000309808585 177237126 /nfs/dbraw/zinc/23/71/26/177237126.db2.gz SVWHFHYZCLNCOF-GXSJLCMTSA-N 2 2 225.336 0.052 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCC(=O)N(C)C ZINC000336725058 177237541 /nfs/dbraw/zinc/23/75/41/177237541.db2.gz BIJIUDGCDJYPIR-WDEREUQCSA-N 2 2 227.352 0.395 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCC(=O)N(C)C ZINC000336725058 177237543 /nfs/dbraw/zinc/23/75/43/177237543.db2.gz BIJIUDGCDJYPIR-WDEREUQCSA-N 2 2 227.352 0.395 20 0 BCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000362762506 177237615 /nfs/dbraw/zinc/23/76/15/177237615.db2.gz JWHZJHGJACHKBB-VHSXEESVSA-N 2 2 236.319 0.566 20 0 BCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000362762506 177237617 /nfs/dbraw/zinc/23/76/17/177237617.db2.gz JWHZJHGJACHKBB-VHSXEESVSA-N 2 2 236.319 0.566 20 0 BCADLP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000361928256 177238891 /nfs/dbraw/zinc/23/88/91/177238891.db2.gz VWCITQDMAZAAQD-UMSGYPCISA-N 2 2 242.363 0.720 20 0 BCADLP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000361928256 177238892 /nfs/dbraw/zinc/23/88/92/177238892.db2.gz VWCITQDMAZAAQD-UMSGYPCISA-N 2 2 242.363 0.720 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCN1CCC1 ZINC000336674654 177240337 /nfs/dbraw/zinc/24/03/37/177240337.db2.gz AXBZYNPMCTWDRN-AAEUAGOBSA-N 2 2 223.364 0.764 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCN1CCC1 ZINC000336674654 177240339 /nfs/dbraw/zinc/24/03/39/177240339.db2.gz AXBZYNPMCTWDRN-AAEUAGOBSA-N 2 2 223.364 0.764 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCN1CCC1 ZINC000336674659 177241751 /nfs/dbraw/zinc/24/17/51/177241751.db2.gz AXBZYNPMCTWDRN-WCQYABFASA-N 2 2 223.364 0.764 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCN1CCC1 ZINC000336674659 177241753 /nfs/dbraw/zinc/24/17/53/177241753.db2.gz AXBZYNPMCTWDRN-WCQYABFASA-N 2 2 223.364 0.764 20 0 BCADLP C[C@H]1COCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000336612692 177288697 /nfs/dbraw/zinc/28/86/97/177288697.db2.gz GORBZASOACOGFV-LLVKDONJSA-N 2 2 209.293 0.851 20 0 BCADLP C[C@H]1COCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000336612692 177288699 /nfs/dbraw/zinc/28/86/99/177288699.db2.gz GORBZASOACOGFV-LLVKDONJSA-N 2 2 209.293 0.851 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCN2CCC2)C[N@@H+]1C1CC1 ZINC000336780588 177331688 /nfs/dbraw/zinc/33/16/88/177331688.db2.gz RSUALTQTBYHEHT-NWDGAFQWSA-N 2 2 223.364 0.907 20 0 BCADLP C[C@H]1C[C@@H]([NH2+]CCN2CCC2)C[N@H+]1C1CC1 ZINC000336780588 177331690 /nfs/dbraw/zinc/33/16/90/177331690.db2.gz RSUALTQTBYHEHT-NWDGAFQWSA-N 2 2 223.364 0.907 20 0 BCADLP C[C@H]1C[C@H]([NH2+]Cc2nccn2C)CC[N@@H+]1C ZINC000090721188 177371567 /nfs/dbraw/zinc/37/15/67/177371567.db2.gz UILMUSGYSSMWFJ-WDEREUQCSA-N 2 2 222.336 0.992 20 0 BCADLP C[C@H]1C[C@H]([NH2+]Cc2nccn2C)CC[N@H+]1C ZINC000090721188 177371569 /nfs/dbraw/zinc/37/15/69/177371569.db2.gz UILMUSGYSSMWFJ-WDEREUQCSA-N 2 2 222.336 0.992 20 0 BCADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000094647538 177396216 /nfs/dbraw/zinc/39/62/16/177396216.db2.gz SMXZYKNYXIGWIL-GHMZBOCLSA-N 2 2 236.319 0.387 20 0 BCADLP C[C@@H]1C[C@H]1C[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000488321015 225372027 /nfs/dbraw/zinc/37/20/27/225372027.db2.gz DQOKXTAXMUOJAF-GRYCIOLGSA-N 2 2 212.337 0.905 20 0 BCADLP C[C@@H]1C[C@H]1C[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000488321015 225372031 /nfs/dbraw/zinc/37/20/31/225372031.db2.gz DQOKXTAXMUOJAF-GRYCIOLGSA-N 2 2 212.337 0.905 20 0 BCADLP C[C@H](CC[NH+](C)C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492823425 226060053 /nfs/dbraw/zinc/06/00/53/226060053.db2.gz NEFVIWIRZUTGCP-UMCURTJPSA-N 2 2 236.319 0.879 20 0 BCADLP O=C(C=Cc1c[nH]c[nH+]1)NCC[N@H+]1CC=CCC1 ZINC000492857302 226068244 /nfs/dbraw/zinc/06/82/44/226068244.db2.gz DFSQEFVXGOPMNN-PLNGDYQASA-N 2 2 246.314 0.801 20 0 BCADLP O=C(C=Cc1c[nH]c[nH+]1)NCC[N@@H+]1CC=CCC1 ZINC000492857302 226068247 /nfs/dbraw/zinc/06/82/47/226068247.db2.gz DFSQEFVXGOPMNN-PLNGDYQASA-N 2 2 246.314 0.801 20 0 BCADLP CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCC[N@@H+](C)C1 ZINC000493341148 226189996 /nfs/dbraw/zinc/18/99/96/226189996.db2.gz UVJHTUPRUJUCHX-FOQNGQEVSA-N 2 2 248.330 0.976 20 0 BCADLP O=C(/C=C/c1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000493148776 226139290 /nfs/dbraw/zinc/13/92/90/226139290.db2.gz GNVRSZGDRXNLNU-FSIBCCDJSA-N 2 2 246.314 0.776 20 0 BCADLP O=C(/C=C/c1[nH]cc[nH+]1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000493148776 226139292 /nfs/dbraw/zinc/13/92/92/226139292.db2.gz GNVRSZGDRXNLNU-FSIBCCDJSA-N 2 2 246.314 0.776 20 0 BCADLP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400634269 226348161 /nfs/dbraw/zinc/34/81/61/226348161.db2.gz MHKXAYREPSGWMM-JQWIXIFHSA-N 3 2 222.336 0.922 20 0 BCADLP C[C@]1(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)CC[NH2+]C1 ZINC000496048519 226295490 /nfs/dbraw/zinc/29/54/90/226295490.db2.gz HTMKTGJDDZMVTN-JQWIXIFHSA-N 2 2 239.319 0.122 20 0 BCADLP C[C@]1(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)CC[NH2+]C1 ZINC000496048519 226295491 /nfs/dbraw/zinc/29/54/91/226295491.db2.gz HTMKTGJDDZMVTN-JQWIXIFHSA-N 2 2 239.319 0.122 20 0 BCADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CC2(CO)COC2)C1 ZINC000674907764 487649983 /nfs/dbraw/zinc/64/99/83/487649983.db2.gz RYNMTTXVAVKQIB-GFCCVEGCSA-N 2 2 242.363 0.458 20 0 BCADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CC2(CO)COC2)C1 ZINC000674907764 487649991 /nfs/dbraw/zinc/64/99/91/487649991.db2.gz RYNMTTXVAVKQIB-GFCCVEGCSA-N 2 2 242.363 0.458 20 0 BCADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000680827497 487650100 /nfs/dbraw/zinc/65/01/00/487650100.db2.gz ZOYDCSCNYXXSMD-SKDRFNHKSA-N 2 2 238.335 0.435 20 0 BCADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000680827497 487650105 /nfs/dbraw/zinc/65/01/05/487650105.db2.gz ZOYDCSCNYXXSMD-SKDRFNHKSA-N 2 2 238.335 0.435 20 0 BCADLP Cn1c[nH+]cc1CCC[NH+]1CCC([NH3+])CC1 ZINC000314003352 487657771 /nfs/dbraw/zinc/65/77/71/487657771.db2.gz MJRUGHPKGXALQZ-UHFFFAOYSA-N 3 2 222.336 0.776 20 0 BCADLP CC[C@@H]([NH3+])CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000565778478 322938533 /nfs/dbraw/zinc/93/85/33/322938533.db2.gz YVVCNRLIRDLEJI-SNVBAGLBSA-N 2 2 246.314 0.730 20 0 BCADLP CCC[C@@H](C)CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613362 487671590 /nfs/dbraw/zinc/67/15/90/487671590.db2.gz LOGROIRGRBPNHZ-NEPJUHHUSA-N 2 2 213.369 0.997 20 0 BCADLP CCC[C@@H](C)CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613362 487671592 /nfs/dbraw/zinc/67/15/92/487671592.db2.gz LOGROIRGRBPNHZ-NEPJUHHUSA-N 2 2 213.369 0.997 20 0 BCADLP CCC[C@@H](C)C[N@@H+]1CCN(C)C[C@@H]1C[NH3+] ZINC000087613362 487671595 /nfs/dbraw/zinc/67/15/95/487671595.db2.gz LOGROIRGRBPNHZ-NEPJUHHUSA-N 2 2 213.369 0.997 20 0 BCADLP CCC[C@@H](C)C[N@H+]1CCN(C)C[C@@H]1C[NH3+] ZINC000087613362 487671598 /nfs/dbraw/zinc/67/15/98/487671598.db2.gz LOGROIRGRBPNHZ-NEPJUHHUSA-N 2 2 213.369 0.997 20 0 BCADLP Cn1cc[nH+]c1CNc1[nH+]cnc2[nH]ccc21 ZINC000343523818 487678004 /nfs/dbraw/zinc/67/80/04/487678004.db2.gz ULHIBMSLEBGVBZ-UHFFFAOYSA-N 2 2 228.259 1.304 20 0 BCADLP CC[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653103783 487678325 /nfs/dbraw/zinc/67/83/25/487678325.db2.gz SAHBPLZQWHGVGG-MNOVXSKESA-N 2 2 227.352 0.524 20 0 BCADLP Cc1nc(C[N@H+](C)CCN2CC[NH2+]CC2)co1 ZINC000310359145 487677897 /nfs/dbraw/zinc/67/78/97/487677897.db2.gz SVILDTLNFWITJX-UHFFFAOYSA-N 2 2 238.335 0.320 20 0 BCADLP Cc1nc(C[N@@H+](C)CCN2CC[NH2+]CC2)co1 ZINC000310359145 487677900 /nfs/dbraw/zinc/67/79/00/487677900.db2.gz SVILDTLNFWITJX-UHFFFAOYSA-N 2 2 238.335 0.320 20 0 BCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCC(C)(C)F ZINC000662662400 487687187 /nfs/dbraw/zinc/68/71/87/487687187.db2.gz FKQIQSXWDCPQFU-SECBINFHSA-N 2 2 233.331 0.520 20 0 BCADLP CN(Cc1[nH+]ccn1C)C(=O)C1([NH3+])CCC1 ZINC000088050598 487695965 /nfs/dbraw/zinc/69/59/65/487695965.db2.gz BQWDXCWRJWSLBA-UHFFFAOYSA-N 2 2 222.292 0.260 20 0 BCADLP C[C@@H](C[NH2+][C@H]1CCCNC(=O)C1)[NH+](C)C ZINC000082667528 487715169 /nfs/dbraw/zinc/71/51/69/487715169.db2.gz MTBZGAHYVMSRPJ-UWVGGRQHSA-N 2 2 213.325 0.195 20 0 BCADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000082669296 487716490 /nfs/dbraw/zinc/71/64/90/487716490.db2.gz MQYJCJHAUZGVAV-MNOVXSKESA-N 2 2 225.336 0.339 20 0 BCADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000082669296 487716495 /nfs/dbraw/zinc/71/64/95/487716495.db2.gz MQYJCJHAUZGVAV-MNOVXSKESA-N 2 2 225.336 0.339 20 0 BCADLP Cc1nc(NC2CC[NH+](C3CC3)CC2)nc(N)[nH+]1 ZINC000631048522 487719773 /nfs/dbraw/zinc/71/97/73/487719773.db2.gz AKKHWSHPUSRZRI-UHFFFAOYSA-N 2 2 248.334 0.801 20 0 BCADLP Cc1nc(N)nc(NC2CC[NH+](C3CC3)CC2)[nH+]1 ZINC000631048522 487719775 /nfs/dbraw/zinc/71/97/75/487719775.db2.gz AKKHWSHPUSRZRI-UHFFFAOYSA-N 2 2 248.334 0.801 20 0 BCADLP CCn1ncnc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000088590998 487737041 /nfs/dbraw/zinc/73/70/41/487737041.db2.gz QANSWNHZRRBTJZ-LLVKDONJSA-N 2 2 237.351 0.729 20 0 BCADLP CCn1ncnc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000088590998 487737045 /nfs/dbraw/zinc/73/70/45/487737045.db2.gz QANSWNHZRRBTJZ-LLVKDONJSA-N 2 2 237.351 0.729 20 0 BCADLP Cc1cc[nH+]c(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000651451629 487744069 /nfs/dbraw/zinc/74/40/69/487744069.db2.gz QSJXBTNXWYLWHH-GFCCVEGCSA-N 2 2 233.315 0.645 20 0 BCADLP Cc1cc[nH+]c(N2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000651451629 487744079 /nfs/dbraw/zinc/74/40/79/487744079.db2.gz QSJXBTNXWYLWHH-GFCCVEGCSA-N 2 2 233.315 0.645 20 0 BCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC=CCC2)[C@@H](C[NH3+])C1 ZINC000226612065 487767211 /nfs/dbraw/zinc/76/72/11/487767211.db2.gz YNUWPRZIOVLLFY-NEPJUHHUSA-N 2 2 237.347 0.444 20 0 BCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC=CCC2)[C@@H](C[NH3+])C1 ZINC000226612065 487767218 /nfs/dbraw/zinc/76/72/18/487767218.db2.gz YNUWPRZIOVLLFY-NEPJUHHUSA-N 2 2 237.347 0.444 20 0 BCADLP C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@H](C)[N@H+]1C ZINC000493194128 487790572 /nfs/dbraw/zinc/79/05/72/487790572.db2.gz UBKDQNXGWMEFBI-UZPIOYONSA-N 2 2 248.330 0.974 20 0 BCADLP C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@H](C)[N@@H+]1C ZINC000493194128 487790580 /nfs/dbraw/zinc/79/05/80/487790580.db2.gz UBKDQNXGWMEFBI-UZPIOYONSA-N 2 2 248.330 0.974 20 0 BCADLP C[C@@H]1CC[C@@H](C[N@@H+]2CCO[C@@H](C[NH3+])C2)O1 ZINC000229000068 487795818 /nfs/dbraw/zinc/79/58/18/487795818.db2.gz UDSAEVBOUQQJPH-VWYCJHECSA-N 2 2 214.309 0.213 20 0 BCADLP C[C@@H]1CC[C@@H](C[N@H+]2CCO[C@@H](C[NH3+])C2)O1 ZINC000229000068 487795824 /nfs/dbraw/zinc/79/58/24/487795824.db2.gz UDSAEVBOUQQJPH-VWYCJHECSA-N 2 2 214.309 0.213 20 0 BCADLP CC[C@@H]1C[N@H+](CCCS(C)(=O)=O)CC[C@H]1[NH3+] ZINC000251931741 487808542 /nfs/dbraw/zinc/80/85/42/487808542.db2.gz ZIYKDLZWSUHVQQ-GHMZBOCLSA-N 2 2 248.392 0.480 20 0 BCADLP CC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)CC[C@H]1[NH3+] ZINC000251931741 487808544 /nfs/dbraw/zinc/80/85/44/487808544.db2.gz ZIYKDLZWSUHVQQ-GHMZBOCLSA-N 2 2 248.392 0.480 20 0 BCADLP C[C@H]1CCC[N@H+](CC(=O)N(C)C2CC2)[C@H]1C[NH3+] ZINC000252089496 487814412 /nfs/dbraw/zinc/81/44/12/487814412.db2.gz DJEOXCKSURQNKW-JQWIXIFHSA-N 2 2 239.363 0.666 20 0 BCADLP C[C@H]1CCC[N@@H+](CC(=O)N(C)C2CC2)[C@H]1C[NH3+] ZINC000252089496 487814421 /nfs/dbraw/zinc/81/44/21/487814421.db2.gz DJEOXCKSURQNKW-JQWIXIFHSA-N 2 2 239.363 0.666 20 0 BCADLP C[C@@H]1CCCN(Cc2c[nH+]cn2C)[C@H]1C[NH3+] ZINC000252107430 487815975 /nfs/dbraw/zinc/81/59/75/487815975.db2.gz HGLNFLSAZSXMSQ-PWSUYJOCSA-N 2 2 222.336 0.979 20 0 BCADLP C[NH2+][C@@H](C)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000569019777 322943053 /nfs/dbraw/zinc/94/30/53/322943053.db2.gz OIBARGKTFIUAHW-JTQLQIEISA-N 2 2 246.314 0.867 20 0 BCADLP O=C1NCC[C@@H]1[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676240282 487828206 /nfs/dbraw/zinc/82/82/06/487828206.db2.gz KYMGYKQEYIMZPC-QWRGUYRKSA-N 2 2 234.303 0.409 20 0 BCADLP O=C1NCC[C@@H]1[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676240282 487828212 /nfs/dbraw/zinc/82/82/12/487828212.db2.gz KYMGYKQEYIMZPC-QWRGUYRKSA-N 2 2 234.303 0.409 20 0 BCADLP Cn1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)nn1 ZINC000671760117 487828798 /nfs/dbraw/zinc/82/87/98/487828798.db2.gz DXAZLPHWOMWLSP-RWMBFGLXSA-N 2 2 249.362 0.778 20 0 BCADLP Cn1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)nn1 ZINC000671760117 487828806 /nfs/dbraw/zinc/82/88/06/487828806.db2.gz DXAZLPHWOMWLSP-RWMBFGLXSA-N 2 2 249.362 0.778 20 0 BCADLP CC(C)[C@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000252868023 487837019 /nfs/dbraw/zinc/83/70/19/487837019.db2.gz RGDVHDRTEMWEQT-NWDGAFQWSA-N 2 2 212.337 0.953 20 0 BCADLP CC(C)[C@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000252868023 487837021 /nfs/dbraw/zinc/83/70/21/487837021.db2.gz RGDVHDRTEMWEQT-NWDGAFQWSA-N 2 2 212.337 0.953 20 0 BCADLP Cc1cccc(CC[NH2+][C@H]2CC[NH2+]C2)n1 ZINC000415105967 487837912 /nfs/dbraw/zinc/83/79/12/487837912.db2.gz NKLLMFCWQSQISZ-LBPRGKRZSA-N 2 2 205.305 0.884 20 0 BCADLP Cc1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])nc1 ZINC000156608109 487838603 /nfs/dbraw/zinc/83/86/03/487838603.db2.gz XHRUSEYJRPHSHE-ZDUSSCGKSA-N 2 2 234.347 0.465 20 0 BCADLP Cc1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])nc1 ZINC000156608109 487838608 /nfs/dbraw/zinc/83/86/08/487838608.db2.gz XHRUSEYJRPHSHE-ZDUSSCGKSA-N 2 2 234.347 0.465 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000390771418 487839645 /nfs/dbraw/zinc/83/96/45/487839645.db2.gz WINNLCPGBVQJHJ-NEPJUHHUSA-N 3 2 211.353 0.527 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000390771418 487839655 /nfs/dbraw/zinc/83/96/55/487839655.db2.gz WINNLCPGBVQJHJ-NEPJUHHUSA-N 3 2 211.353 0.527 20 0 BCADLP NC(=O)[C@H]1c2ccccc2CC[N@H+]1CCC[NH3+] ZINC000666689620 487860675 /nfs/dbraw/zinc/86/06/75/487860675.db2.gz VZYIKXXTAAIMNR-GFCCVEGCSA-N 2 2 233.315 0.420 20 0 BCADLP NC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCC[NH3+] ZINC000666689620 487860678 /nfs/dbraw/zinc/86/06/78/487860678.db2.gz VZYIKXXTAAIMNR-GFCCVEGCSA-N 2 2 233.315 0.420 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000666697383 487861739 /nfs/dbraw/zinc/86/17/39/487861739.db2.gz ZCOBGVOJZRYOGY-NEPJUHHUSA-N 2 2 237.351 0.898 20 0 BCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000666697383 487861743 /nfs/dbraw/zinc/86/17/43/487861743.db2.gz ZCOBGVOJZRYOGY-NEPJUHHUSA-N 2 2 237.351 0.898 20 0 BCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC000309338225 487867513 /nfs/dbraw/zinc/86/75/13/487867513.db2.gz JNOXUPZIMPJWDL-NEPJUHHUSA-N 2 2 230.352 0.314 20 0 BCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC000309338225 487867517 /nfs/dbraw/zinc/86/75/17/487867517.db2.gz JNOXUPZIMPJWDL-NEPJUHHUSA-N 2 2 230.352 0.314 20 0 BCADLP CCc1nn(C)cc1C[NH2+][C@H](C[NH3+])C1CC1 ZINC000666746322 487868921 /nfs/dbraw/zinc/86/89/21/487868921.db2.gz LGXMPTSNQUOCAW-GFCCVEGCSA-N 2 2 222.336 0.809 20 0 BCADLP CC[NH2+]CC[NH2+]Cc1ccccc1-n1cncn1 ZINC000666780912 487879783 /nfs/dbraw/zinc/87/97/83/487879783.db2.gz FRPZERJOHLMIKX-UHFFFAOYSA-N 2 2 245.330 0.966 20 0 BCADLP CCC[N@H+](C[C@@H](O)CC)[C@@H]1CC[NH2+]C1 ZINC000070903333 643080621 /nfs/dbraw/zinc/08/06/21/643080621.db2.gz YMDXKKWFAQIIFS-MNOVXSKESA-N 2 2 200.326 0.831 20 0 BCADLP CCC[N@@H+](C[C@@H](O)CC)[C@@H]1CC[NH2+]C1 ZINC000070903333 643080624 /nfs/dbraw/zinc/08/06/24/643080624.db2.gz YMDXKKWFAQIIFS-MNOVXSKESA-N 2 2 200.326 0.831 20 0 BCADLP CCc1nn(C)cc1C[NH2+]C[C@H]([NH3+])CC ZINC000666910477 487900190 /nfs/dbraw/zinc/90/01/90/487900190.db2.gz YBOUBDZQVJSOPZ-SNVBAGLBSA-N 2 2 210.325 0.809 20 0 BCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000083362611 487903653 /nfs/dbraw/zinc/90/36/53/487903653.db2.gz CJUZGEBKOVUMKM-GFCCVEGCSA-N 2 2 235.331 0.949 20 0 BCADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000083362611 487903657 /nfs/dbraw/zinc/90/36/57/487903657.db2.gz CJUZGEBKOVUMKM-GFCCVEGCSA-N 2 2 235.331 0.949 20 0 BCADLP C[N@H+](Cc1cnc2cnccn12)CC1C[NH+](C)C1 ZINC000668539735 487905250 /nfs/dbraw/zinc/90/52/50/487905250.db2.gz KGIYZECBXKTMNF-UHFFFAOYSA-N 2 2 245.330 0.723 20 0 BCADLP CC1(C)C[N@H+](C[C@@H]2C[NH2+]CCO2)CCCO1 ZINC000309371232 487912416 /nfs/dbraw/zinc/91/24/16/487912416.db2.gz BZLRENQBRASJPN-NSHDSACASA-N 2 2 228.336 0.476 20 0 BCADLP CC1(C)C[N@@H+](C[C@@H]2C[NH2+]CCO2)CCCO1 ZINC000309371232 487912420 /nfs/dbraw/zinc/91/24/20/487912420.db2.gz BZLRENQBRASJPN-NSHDSACASA-N 2 2 228.336 0.476 20 0 BCADLP C[N@H+](CC[NH3+])Cc1ccc(C(=O)NC2CC2)cc1 ZINC000667042238 487916824 /nfs/dbraw/zinc/91/68/24/487916824.db2.gz CZYMYVZWULUZJP-UHFFFAOYSA-N 2 2 247.342 0.969 20 0 BCADLP C[N@@H+](CC[NH3+])Cc1ccc(C(=O)NC2CC2)cc1 ZINC000667042238 487916832 /nfs/dbraw/zinc/91/68/32/487916832.db2.gz CZYMYVZWULUZJP-UHFFFAOYSA-N 2 2 247.342 0.969 20 0 BCADLP [NH3+]C[C@@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000652335355 487923440 /nfs/dbraw/zinc/92/34/40/487923440.db2.gz BVVMWHXYDBQJNA-JTQLQIEISA-N 2 2 220.320 0.610 20 0 BCADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000652335355 487923444 /nfs/dbraw/zinc/92/34/44/487923444.db2.gz BVVMWHXYDBQJNA-JTQLQIEISA-N 2 2 220.320 0.610 20 0 BCADLP C[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)CC[C@@H]1[NH3+] ZINC000652335886 487924862 /nfs/dbraw/zinc/92/48/62/487924862.db2.gz NZWOZJHBSGELIW-MFKMUULPSA-N 2 2 234.347 0.998 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)CC[C@@H]1[NH3+] ZINC000652335886 487924866 /nfs/dbraw/zinc/92/48/66/487924866.db2.gz NZWOZJHBSGELIW-MFKMUULPSA-N 2 2 234.347 0.998 20 0 BCADLP Cn1nccc1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000559690905 322979172 /nfs/dbraw/zinc/97/91/72/322979172.db2.gz QZRIALRTTSKPBD-UHFFFAOYSA-N 2 2 246.318 0.465 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)c1cc[nH+]cc1C(N)=O ZINC000562353413 323017550 /nfs/dbraw/zinc/01/75/50/323017550.db2.gz FIMWNNAOXDSARR-UHFFFAOYSA-N 2 2 231.259 0.540 20 0 BCADLP CCO[C@H]1C[C@@H]1[NH2+]C1CC[NH+](CCOC)CC1 ZINC000562487882 323021842 /nfs/dbraw/zinc/02/18/42/323021842.db2.gz QXCNQZSGLHDGTC-STQMWFEESA-N 2 2 242.363 0.864 20 0 BCADLP CCNC(=O)[C@@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000565242129 323037242 /nfs/dbraw/zinc/03/72/42/323037242.db2.gz KKQZRMVVLNPKCJ-MRVPVSSYSA-N 2 2 224.308 0.343 20 0 BCADLP CC[NH2+]CCCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000570041386 323048188 /nfs/dbraw/zinc/04/81/88/323048188.db2.gz RTQXQWMPMPHEEQ-VIFPVBQESA-N 2 2 242.348 0.259 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C2CCC2)C[C@H](C)O1 ZINC000570273000 323054603 /nfs/dbraw/zinc/05/46/03/323054603.db2.gz LLMXJKLRKLQVQV-NTZNESFSSA-N 2 2 242.363 0.599 20 0 BCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C2CCC2)C[C@H](C)O1 ZINC000570273000 323054604 /nfs/dbraw/zinc/05/46/04/323054604.db2.gz LLMXJKLRKLQVQV-NTZNESFSSA-N 2 2 242.363 0.599 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCc1nc(C)no1 ZINC000570632944 323065558 /nfs/dbraw/zinc/06/55/58/323065558.db2.gz MQIDTGHBQJQXED-NSHDSACASA-N 2 2 238.335 0.994 20 0 BCADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCCc1nc(C)no1 ZINC000570632944 323065559 /nfs/dbraw/zinc/06/55/59/323065559.db2.gz MQIDTGHBQJQXED-NSHDSACASA-N 2 2 238.335 0.994 20 0 BCADLP CC[C@H]([NH3+])CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000570698335 323067710 /nfs/dbraw/zinc/06/77/10/323067710.db2.gz FNCKRTVSYOEIRG-QMMMGPOBSA-N 2 2 225.296 0.288 20 0 BCADLP CC[C@H]([NH3+])CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000570698335 323067711 /nfs/dbraw/zinc/06/77/11/323067711.db2.gz FNCKRTVSYOEIRG-QMMMGPOBSA-N 2 2 225.296 0.288 20 0 BCADLP C[C@@H](CC(=O)N1CC[NH2+]C[C@H]1C)n1cc[nH+]c1 ZINC000570733116 323068860 /nfs/dbraw/zinc/06/88/60/323068860.db2.gz ARLHANYFGJVNGA-WDEREUQCSA-N 2 2 236.319 0.655 20 0 BCADLP C[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000570927149 323074432 /nfs/dbraw/zinc/07/44/32/323074432.db2.gz ZCURSTQILILWAG-LDWIPMOCSA-N 2 2 243.257 0.428 20 0 BCADLP [NH3+]CC[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000563153584 323095890 /nfs/dbraw/zinc/09/58/90/323095890.db2.gz BWTHRYJHBNHWMT-NEPJUHHUSA-N 3 2 227.352 0.163 20 0 BCADLP Cc1cc(NC(=O)N[C@H]2CC[NH2+]C2)c(C)c[nH+]1 ZINC000570986723 323103020 /nfs/dbraw/zinc/10/30/20/323103020.db2.gz LXPYOGVINBEAMZ-JTQLQIEISA-N 2 2 234.303 0.604 20 0 BCADLP CN(CCC[NH+](C)C)C(=O)Cn1cc[nH+]c1 ZINC000570992826 323103217 /nfs/dbraw/zinc/10/32/17/323103217.db2.gz CCCDMBCFBUDBDL-UHFFFAOYSA-N 2 2 224.308 0.293 20 0 BCADLP C[C@H](CC(=O)N(C)C1CC([NH3+])C1)n1cc[nH+]c1 ZINC000563338301 323119162 /nfs/dbraw/zinc/11/91/62/323119162.db2.gz HXBYUIBFHCWLAS-KPPDAEKUSA-N 2 2 236.319 0.782 20 0 BCADLP C[NH+]1CCC(CCO)([NH2+]Cc2cc[nH]n2)CC1 ZINC000563417538 323123692 /nfs/dbraw/zinc/12/36/92/323123692.db2.gz MTHTUGAJQWZZRV-UHFFFAOYSA-N 2 2 238.335 0.346 20 0 BCADLP CC(C)C[C@H]([NH3+])C[NH2+]C(C)(C)C(=O)N(C)C ZINC000563435783 323125483 /nfs/dbraw/zinc/12/54/83/323125483.db2.gz GGMKMBXICNWSPM-JTQLQIEISA-N 2 2 229.368 0.816 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CCNC(=O)C(C)C)n1C ZINC000563439853 323125854 /nfs/dbraw/zinc/12/58/54/323125854.db2.gz IVJROMXEKUJIGZ-UHFFFAOYSA-N 2 2 238.335 0.590 20 0 BCADLP COC[C@]1(C[NH2+]CC2(F)CC2)CCC[NH2+]1 ZINC000563452447 323126879 /nfs/dbraw/zinc/12/68/79/323126879.db2.gz SUVIFWRFSXKMLB-LLVKDONJSA-N 2 2 216.300 0.847 20 0 BCADLP [NH3+]C1(C(=O)N2CCC(n3cc[nH+]c3)CC2)CCC1 ZINC000563619823 323131722 /nfs/dbraw/zinc/13/17/22/323131722.db2.gz FZCLQQZZPZHPMK-UHFFFAOYSA-N 2 2 248.330 0.928 20 0 BCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H](C)O ZINC000571198719 323138023 /nfs/dbraw/zinc/13/80/23/323138023.db2.gz WJHFYIFCGJCIHJ-IJLUTSLNSA-N 2 2 230.352 0.456 20 0 BCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H](C)O ZINC000571198719 323138024 /nfs/dbraw/zinc/13/80/24/323138024.db2.gz WJHFYIFCGJCIHJ-IJLUTSLNSA-N 2 2 230.352 0.456 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000571298659 323140763 /nfs/dbraw/zinc/14/07/63/323140763.db2.gz XEXMKHRTJCGOGP-BJDJZHNGSA-N 3 2 211.353 0.986 20 0 BCADLP Cc1[nH+]cc(C[NH2+]CC[C@@H](C)[S@](C)=O)n1C ZINC000571344007 323141994 /nfs/dbraw/zinc/14/19/94/323141994.db2.gz BCQGDRHSWLHCGK-ABKXIKBNSA-N 2 2 243.376 0.975 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCN(C)C(=O)C1 ZINC000571413987 323143987 /nfs/dbraw/zinc/14/39/87/323143987.db2.gz XBBAAMCNSIYKTG-UHFFFAOYSA-N 2 2 236.319 0.127 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CCN(C)C(=O)C1 ZINC000571413987 323143988 /nfs/dbraw/zinc/14/39/88/323143988.db2.gz XBBAAMCNSIYKTG-UHFFFAOYSA-N 2 2 236.319 0.127 20 0 BCADLP C[NH2+]C1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000571521910 323146746 /nfs/dbraw/zinc/14/67/46/323146746.db2.gz BMRJYYPOBINCTK-ZDUSSCGKSA-N 2 2 242.363 0.866 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC000535313724 323170340 /nfs/dbraw/zinc/17/03/40/323170340.db2.gz JLXHGNKQHIYTEU-JTQLQIEISA-N 2 2 248.330 0.488 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000535313724 323170341 /nfs/dbraw/zinc/17/03/41/323170341.db2.gz JLXHGNKQHIYTEU-JTQLQIEISA-N 2 2 248.330 0.488 20 0 BCADLP CSC[C@@H](CCO)[NH2+]Cc1c[nH+]c(C)n1C ZINC000563820750 323179192 /nfs/dbraw/zinc/17/91/92/323179192.db2.gz ALNXCZYUYPRLEB-SNVBAGLBSA-N 2 2 243.376 0.932 20 0 BCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]CC1(F)CC1 ZINC000308929852 323181696 /nfs/dbraw/zinc/18/16/96/323181696.db2.gz JDBGPYOXEISYDQ-SNVBAGLBSA-N 2 2 215.316 0.324 20 0 BCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]CC1(F)CC1 ZINC000308929852 323181697 /nfs/dbraw/zinc/18/16/97/323181697.db2.gz JDBGPYOXEISYDQ-SNVBAGLBSA-N 2 2 215.316 0.324 20 0 BCADLP O=C(CC[C@H]1CC[NH2+]C1)Nc1cc[nH+]cc1O ZINC000519395085 323198521 /nfs/dbraw/zinc/19/85/21/323198521.db2.gz ZPMLWRGEPJJVLG-VIFPVBQESA-N 2 2 235.287 0.537 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530216871 323217203 /nfs/dbraw/zinc/21/72/03/323217203.db2.gz QSIBBZCXLBPGDW-SRVKXCTJSA-N 3 2 223.364 0.988 20 0 BCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C(C)C)C1CC1 ZINC000563932053 323325104 /nfs/dbraw/zinc/32/51/04/323325104.db2.gz AGMQXXRAVMSJBK-ZDUSSCGKSA-N 2 2 244.379 0.798 20 0 BCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C(C)C)C1CC1 ZINC000563932053 323325110 /nfs/dbraw/zinc/32/51/10/323325110.db2.gz AGMQXXRAVMSJBK-ZDUSSCGKSA-N 2 2 244.379 0.798 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C(C)C)C1CC1 ZINC000563932053 323325113 /nfs/dbraw/zinc/32/51/13/323325113.db2.gz AGMQXXRAVMSJBK-ZDUSSCGKSA-N 2 2 244.379 0.798 20 0 BCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C(C)C)C1CC1 ZINC000563932053 323325115 /nfs/dbraw/zinc/32/51/15/323325115.db2.gz AGMQXXRAVMSJBK-ZDUSSCGKSA-N 2 2 244.379 0.798 20 0 BCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H](C)[N@H+]1C ZINC000563951558 323332867 /nfs/dbraw/zinc/33/28/67/323332867.db2.gz JUGXPHSGRWOCTO-PHIMTYICSA-N 2 2 236.319 0.434 20 0 BCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H](C)[N@@H+]1C ZINC000563951558 323332870 /nfs/dbraw/zinc/33/28/70/323332870.db2.gz JUGXPHSGRWOCTO-PHIMTYICSA-N 2 2 236.319 0.434 20 0 BCADLP CN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](C)CC1 ZINC000514766175 324112119 /nfs/dbraw/zinc/11/21/19/324112119.db2.gz RJOZFXLYJPMUPC-UHFFFAOYSA-N 2 2 236.319 0.436 20 0 BCADLP Cc1c[nH+]cn1CC(=O)N1CCn2c[nH+]cc2C1 ZINC000529404311 324288450 /nfs/dbraw/zinc/28/84/50/324288450.db2.gz SCXYGHNQVAEPMH-UHFFFAOYSA-N 2 2 245.286 0.430 20 0 BCADLP CCn1ncc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])n1 ZINC000530214104 324530083 /nfs/dbraw/zinc/53/00/83/324530083.db2.gz XVDQAUCAIUVGBB-RKDXNWHRSA-N 2 2 211.313 0.513 20 0 BCADLP COc1ccc(CC[NH2+][C@@H]2CC[NH2+]C2)cn1 ZINC000530217891 324534441 /nfs/dbraw/zinc/53/44/41/324534441.db2.gz CNQTVDPPPADXFU-LLVKDONJSA-N 2 2 221.304 0.584 20 0 BCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC12CC(C1)CO2 ZINC000530224752 324543791 /nfs/dbraw/zinc/54/37/91/324543791.db2.gz YBYORFLLVVKXAI-QCXCNERSSA-N 2 2 240.347 0.522 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCNC2=O)CC[N@@H+]1C ZINC000130006100 325003177 /nfs/dbraw/zinc/00/31/77/325003177.db2.gz CZDIGMIIPNNGNR-IJLUTSLNSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCNC2=O)CC[N@H+]1C ZINC000130006100 325003179 /nfs/dbraw/zinc/00/31/79/325003179.db2.gz CZDIGMIIPNNGNR-IJLUTSLNSA-N 2 2 239.363 0.727 20 0 BCADLP CC[NH+](CC)CC(=O)NCCc1c[nH+]cn1C ZINC000542481865 325030208 /nfs/dbraw/zinc/03/02/08/325030208.db2.gz IOKMVAZXHHZPNW-UHFFFAOYSA-N 2 2 238.335 0.421 20 0 BCADLP NC(=O)c1c[nH+]ccc1N1CCn2cc[nH+]c2C1 ZINC000545157152 325180988 /nfs/dbraw/zinc/18/09/88/325180988.db2.gz AYRBUTWVTIQEAE-UHFFFAOYSA-N 2 2 243.270 0.397 20 0 BCADLP Cc1[nH]c(C(=O)N[C@H](CC[NH3+])C(F)F)c[nH+]1 ZINC000566212509 326014197 /nfs/dbraw/zinc/01/41/97/326014197.db2.gz FVNHFPPWXVBSJY-ZCFIWIBFSA-N 2 2 232.234 0.430 20 0 BCADLP C[N@H+](C[C@H]1CCCS(=O)(=O)C1)C1CC([NH3+])C1 ZINC000566245037 326022589 /nfs/dbraw/zinc/02/25/89/326022589.db2.gz YINONWCNTJGDMF-KPPDAEKUSA-N 2 2 246.376 0.233 20 0 BCADLP C[N@@H+](C[C@H]1CCCS(=O)(=O)C1)C1CC([NH3+])C1 ZINC000566245037 326022592 /nfs/dbraw/zinc/02/25/92/326022592.db2.gz YINONWCNTJGDMF-KPPDAEKUSA-N 2 2 246.376 0.233 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC=C(COC)CC1 ZINC000566417503 326042467 /nfs/dbraw/zinc/04/24/67/326042467.db2.gz YNKSKKCXYXIUOL-ZDUSSCGKSA-N 2 2 242.363 0.578 20 0 BCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000566441633 326047433 /nfs/dbraw/zinc/04/74/33/326047433.db2.gz IFOHUOYZBQTAKT-LLVKDONJSA-N 2 2 248.330 0.608 20 0 BCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000566441633 326047436 /nfs/dbraw/zinc/04/74/36/326047436.db2.gz IFOHUOYZBQTAKT-LLVKDONJSA-N 2 2 248.330 0.608 20 0 BCADLP COc1nccnc1C[NH2+]CCC[NH+]1CCC1 ZINC000566475633 326054025 /nfs/dbraw/zinc/05/40/25/326054025.db2.gz NTAUXRZMHPUHNN-UHFFFAOYSA-N 2 2 236.319 0.671 20 0 BCADLP COC[C@]1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000566483866 326056295 /nfs/dbraw/zinc/05/62/95/326056295.db2.gz XNVDQFVMOQQCEB-RWMBFGLXSA-N 3 2 241.379 0.615 20 0 BCADLP CCOCC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000566850762 326087884 /nfs/dbraw/zinc/08/78/84/326087884.db2.gz BXJFGCJFXFOWEX-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP CCOCC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000566850762 326087886 /nfs/dbraw/zinc/08/78/86/326087886.db2.gz BXJFGCJFXFOWEX-NWDGAFQWSA-N 2 2 230.352 0.458 20 0 BCADLP C[C@@]1(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000566916175 326094047 /nfs/dbraw/zinc/09/40/47/326094047.db2.gz VQSIQGBPMGHIHC-NWDGAFQWSA-N 3 2 227.352 0.036 20 0 BCADLP C[C@@]1(C[N@H+]2CCCO[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000566916175 326094049 /nfs/dbraw/zinc/09/40/49/326094049.db2.gz VQSIQGBPMGHIHC-NWDGAFQWSA-N 3 2 227.352 0.036 20 0 BCADLP COC[C@@]1(C[NH2+]C[C@@]2(C)CC[NH2+]C2)CCC[NH2+]1 ZINC000566973640 326098269 /nfs/dbraw/zinc/09/82/69/326098269.db2.gz NAOBZXGHBIBWGI-STQMWFEESA-N 3 2 241.379 0.344 20 0 BCADLP CC(C)[C@H](NC(=O)[C@H]1CC[NH2+]1)c1[nH]cc[nH+]1 ZINC000566972353 326098288 /nfs/dbraw/zinc/09/82/88/326098288.db2.gz WMHUYMSWYYZJTR-BDAKNGLRSA-N 2 2 222.292 0.585 20 0 BCADLP CC1(C)C[NH+](CC(=O)NCCn2cc[nH+]c2)C1 ZINC000567177481 326129920 /nfs/dbraw/zinc/12/99/20/326129920.db2.gz IJKVOVFFOOUPGM-UHFFFAOYSA-N 2 2 236.319 0.341 20 0 BCADLP FCCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000567646058 326237582 /nfs/dbraw/zinc/23/75/82/326237582.db2.gz RQNOJUCILDIWGF-MNOVXSKESA-N 2 2 216.300 0.703 20 0 BCADLP Cc1cc(NC(=O)NC[C@@H](C)C[NH3+])c(C)c[nH+]1 ZINC000567712266 326249866 /nfs/dbraw/zinc/24/98/66/326249866.db2.gz YKDAECNEXUOOAI-QMMMGPOBSA-N 2 2 236.319 0.837 20 0 BCADLP [NH3+]CCCCC(=O)NCCNc1cccc[nH+]1 ZINC000567788985 326258801 /nfs/dbraw/zinc/25/88/01/326258801.db2.gz CUFQYOUVIXZPDP-UHFFFAOYSA-N 2 2 236.319 0.739 20 0 BCADLP C[NH2+]CCCC(=O)Nc1cc[nH+]cc1O ZINC000567801987 326259540 /nfs/dbraw/zinc/25/95/40/326259540.db2.gz LEEMKAWBJLVALQ-UHFFFAOYSA-N 2 2 209.249 0.147 20 0 BCADLP C[C@H](C[NH3+])N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000567909095 326281567 /nfs/dbraw/zinc/28/15/67/326281567.db2.gz DCKFBTVRAUEQAY-NXEZZACHSA-N 2 2 224.308 0.640 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000567983215 326291395 /nfs/dbraw/zinc/29/13/95/326291395.db2.gz YZZQOHWLLFXLKG-OCAPTIKFSA-N 2 2 208.265 0.072 20 0 BCADLP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ncn(C)n1 ZINC000314437441 326299670 /nfs/dbraw/zinc/29/96/70/326299670.db2.gz ZLXFUMUTGRCRDI-SNVBAGLBSA-N 2 2 248.334 0.832 20 0 BCADLP COC(=O)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568167877 326318219 /nfs/dbraw/zinc/31/82/19/326318219.db2.gz QVXPFUUDUDABAF-UHFFFAOYSA-N 2 2 238.291 0.095 20 0 BCADLP C[C@@H](C(=O)N1CC(n2cc[nH+]c2)C1)[NH+]1CC(C)C1 ZINC000568198937 326324853 /nfs/dbraw/zinc/32/48/53/326324853.db2.gz MIHYPAZYZFMBIA-NSHDSACASA-N 2 2 248.330 0.607 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@@H]1C ZINC000568527297 326362906 /nfs/dbraw/zinc/36/29/06/326362906.db2.gz OVTJMZOTEWWXQF-VWYCJHECSA-N 2 2 200.326 0.639 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@@H]1C ZINC000568527297 326362909 /nfs/dbraw/zinc/36/29/09/326362909.db2.gz OVTJMZOTEWWXQF-VWYCJHECSA-N 2 2 200.326 0.639 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000568527297 326362911 /nfs/dbraw/zinc/36/29/11/326362911.db2.gz OVTJMZOTEWWXQF-VWYCJHECSA-N 2 2 200.326 0.639 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@@H]1C ZINC000568527297 326362913 /nfs/dbraw/zinc/36/29/13/326362913.db2.gz OVTJMZOTEWWXQF-VWYCJHECSA-N 2 2 200.326 0.639 20 0 BCADLP [NH3+]CC[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000568630848 326369302 /nfs/dbraw/zinc/36/93/02/326369302.db2.gz SHTYPKADSRMPPV-SNVBAGLBSA-N 2 2 235.335 0.751 20 0 BCADLP [NH3+]CC[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000568630848 326369303 /nfs/dbraw/zinc/36/93/03/326369303.db2.gz SHTYPKADSRMPPV-SNVBAGLBSA-N 2 2 235.335 0.751 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000568726472 326373626 /nfs/dbraw/zinc/37/36/26/326373626.db2.gz JKXPDQJKZAACLV-UHFFFAOYSA-N 2 2 222.292 0.092 20 0 BCADLP CC(C)[C@H](NC(=O)CC[NH3+])c1[nH]cc[nH+]1 ZINC000568760383 326375655 /nfs/dbraw/zinc/37/56/55/326375655.db2.gz UKIYACUVKHZDKK-VIFPVBQESA-N 2 2 210.281 0.572 20 0 BCADLP O=C(NCC[NH+]1CCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000682514477 487973993 /nfs/dbraw/zinc/97/39/93/487973993.db2.gz BREHWYBVWHKFKC-NSHDSACASA-N 2 2 248.330 0.267 20 0 BCADLP Cc1cc(NC(=O)NC(C)(C)C[NH3+])c(C)c[nH+]1 ZINC000667301948 487982347 /nfs/dbraw/zinc/98/23/47/487982347.db2.gz RQGRUWVLANWESM-UHFFFAOYSA-N 2 2 236.319 0.979 20 0 BCADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+](C)CCC[NH3+])C1 ZINC000123297799 487983672 /nfs/dbraw/zinc/98/36/72/487983672.db2.gz XYEVNKHOFNYBFV-TXEJJXNPSA-N 2 2 241.379 0.772 20 0 BCADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+](C)CCC[NH3+])C1 ZINC000123297799 487983677 /nfs/dbraw/zinc/98/36/77/487983677.db2.gz XYEVNKHOFNYBFV-TXEJJXNPSA-N 2 2 241.379 0.772 20 0 BCADLP CC[N@@H+]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000677191578 487994651 /nfs/dbraw/zinc/99/46/51/487994651.db2.gz IBZMBEYVLWPIEI-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP CC[N@H+]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000677191578 487994654 /nfs/dbraw/zinc/99/46/54/487994654.db2.gz IBZMBEYVLWPIEI-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP CC(C)NC(=O)[C@H]1CCC[N@H+](CC[NH3+])C1 ZINC000220737074 487996602 /nfs/dbraw/zinc/99/66/02/487996602.db2.gz SHXHOCFUKUBHOR-JTQLQIEISA-N 2 2 213.325 0.182 20 0 BCADLP CC(C)NC(=O)[C@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000220737074 487996605 /nfs/dbraw/zinc/99/66/05/487996605.db2.gz SHXHOCFUKUBHOR-JTQLQIEISA-N 2 2 213.325 0.182 20 0 BCADLP OCCC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000401026631 488000060 /nfs/dbraw/zinc/00/00/60/488000060.db2.gz NVPCPOXDZJJZTM-LBPRGKRZSA-N 2 2 228.336 0.069 20 0 BCADLP CC[NH+]1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667471089 488016938 /nfs/dbraw/zinc/01/69/38/488016938.db2.gz XCYLULVGWIZSIC-UHFFFAOYSA-N 2 2 234.347 0.967 20 0 BCADLP Cc1[nH+]cc(C[N@H+]2CCC(=O)N(C)CC2)n1C ZINC000668621631 488022266 /nfs/dbraw/zinc/02/22/66/488022266.db2.gz JGXRBJKPVJDXSR-UHFFFAOYSA-N 2 2 236.319 0.393 20 0 BCADLP Cc1[nH+]cc(C[N@@H+]2CCC(=O)N(C)CC2)n1C ZINC000668621631 488022269 /nfs/dbraw/zinc/02/22/69/488022269.db2.gz JGXRBJKPVJDXSR-UHFFFAOYSA-N 2 2 236.319 0.393 20 0 BCADLP C[C@H](C[NH3+])CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655450364 488040610 /nfs/dbraw/zinc/04/06/10/488040610.db2.gz LGXZAMUGBWBVIV-ZJUUUORDSA-N 2 2 236.319 0.157 20 0 BCADLP CNC(=O)[C@@H]1CCC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000667533171 488040621 /nfs/dbraw/zinc/04/06/21/488040621.db2.gz IFWXRPZRKGUZSZ-NSHDSACASA-N 2 2 236.319 0.439 20 0 BCADLP CNC(=O)[C@@H]1CCC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667533171 488040627 /nfs/dbraw/zinc/04/06/27/488040627.db2.gz IFWXRPZRKGUZSZ-NSHDSACASA-N 2 2 236.319 0.439 20 0 BCADLP CC1([NH3+])CC[NH+](C[C@@]23C[C@@H]2C[NH2+]C3)CC1 ZINC000663495022 488044174 /nfs/dbraw/zinc/04/41/74/488044174.db2.gz TUPIMWXXLAWKNX-PWSUYJOCSA-N 3 2 209.337 0.409 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCCOC1 ZINC000401676072 488046576 /nfs/dbraw/zinc/04/65/76/488046576.db2.gz SSRZYIQHWDBMCO-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCCOC1 ZINC000401676072 488046582 /nfs/dbraw/zinc/04/65/82/488046582.db2.gz SSRZYIQHWDBMCO-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CCCOC1 ZINC000401676072 488046587 /nfs/dbraw/zinc/04/65/87/488046587.db2.gz SSRZYIQHWDBMCO-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CCCOC1 ZINC000401676072 488046591 /nfs/dbraw/zinc/04/65/91/488046591.db2.gz SSRZYIQHWDBMCO-QWHCGFSZSA-N 2 2 244.379 0.798 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)CC[NH2+]1 ZINC000663499574 488047728 /nfs/dbraw/zinc/04/77/28/488047728.db2.gz DFSCQTFGDACJSK-QTAHKJALSA-N 3 2 209.337 0.469 20 0 BCADLP [NH3+]C1(C[NH2+]C[C@@]23C[C@@H]2C[NH2+]C3)CCCC1 ZINC000663499884 488048666 /nfs/dbraw/zinc/04/86/66/488048666.db2.gz WUOJHSDUWOFQLK-MNOVXSKESA-N 3 2 209.337 0.457 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@](C)(O)C1 ZINC000314636784 488056368 /nfs/dbraw/zinc/05/63/68/488056368.db2.gz UJXAEOIXIIDTGA-GFCCVEGCSA-N 2 2 223.320 0.809 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@](C)(O)C1 ZINC000314636784 488056372 /nfs/dbraw/zinc/05/63/72/488056372.db2.gz UJXAEOIXIIDTGA-GFCCVEGCSA-N 2 2 223.320 0.809 20 0 BCADLP c1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)n[nH]1 ZINC000257648461 488076477 /nfs/dbraw/zinc/07/64/77/488076477.db2.gz CROMAZPQZIFGTB-LBPRGKRZSA-N 2 2 220.320 0.985 20 0 BCADLP c1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)n[nH]1 ZINC000257648461 488076479 /nfs/dbraw/zinc/07/64/79/488076479.db2.gz CROMAZPQZIFGTB-LBPRGKRZSA-N 2 2 220.320 0.985 20 0 BCADLP Cc1c[nH]nc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000257714720 488083843 /nfs/dbraw/zinc/08/38/43/488083843.db2.gz OSFRYVSAHNWCMU-GFCCVEGCSA-N 2 2 249.362 0.198 20 0 BCADLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCc2cnn(C)c2)CCO1 ZINC000226432753 488085453 /nfs/dbraw/zinc/08/54/53/488085453.db2.gz JOMUZOFTSLQXCR-ZYHUDNBSSA-N 2 2 238.335 0.011 20 0 BCADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCc2cnn(C)c2)CCO1 ZINC000226432753 488085458 /nfs/dbraw/zinc/08/54/58/488085458.db2.gz JOMUZOFTSLQXCR-ZYHUDNBSSA-N 2 2 238.335 0.011 20 0 BCADLP CC[N@H+](C[C@H]1C[NH2+]CCO1)[C@@H]1CCCOC1 ZINC000402584703 488094577 /nfs/dbraw/zinc/09/45/77/488094577.db2.gz HDIAHSLFMQMDKU-VXGBXAGGSA-N 2 2 228.336 0.476 20 0 BCADLP CC[N@@H+](C[C@H]1C[NH2+]CCO1)[C@@H]1CCCOC1 ZINC000402584703 488094581 /nfs/dbraw/zinc/09/45/81/488094581.db2.gz HDIAHSLFMQMDKU-VXGBXAGGSA-N 2 2 228.336 0.476 20 0 BCADLP CC[C@H]1C[N@H+](Cc2c[nH+]c(C)n2C)C[C@H]1O ZINC000667710933 488097473 /nfs/dbraw/zinc/09/74/73/488097473.db2.gz SHWIBHRAWCXTRI-CMPLNLGQSA-N 2 2 223.320 0.931 20 0 BCADLP CC[C@H]1C[N@@H+](Cc2c[nH+]c(C)n2C)C[C@H]1O ZINC000667710933 488097478 /nfs/dbraw/zinc/09/74/78/488097478.db2.gz SHWIBHRAWCXTRI-CMPLNLGQSA-N 2 2 223.320 0.931 20 0 BCADLP CC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000236936011 488099800 /nfs/dbraw/zinc/09/98/00/488099800.db2.gz LGVKHOAPUORENA-MNOVXSKESA-N 2 2 248.330 0.514 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000092954800 488104901 /nfs/dbraw/zinc/10/49/01/488104901.db2.gz GWWBHKLCRNGUCT-VHSXEESVSA-N 2 2 236.319 0.377 20 0 BCADLP Cn1ncnc1CN1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674249649 487536502 /nfs/dbraw/zinc/53/65/02/487536502.db2.gz DBDBUQLKZJFGBT-LLVKDONJSA-N 2 2 246.318 0.849 20 0 BCADLP Cn1ncnc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674249649 487536504 /nfs/dbraw/zinc/53/65/04/487536504.db2.gz DBDBUQLKZJFGBT-LLVKDONJSA-N 2 2 246.318 0.849 20 0 BCADLP Cn1ncnc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674249649 487536509 /nfs/dbraw/zinc/53/65/09/487536509.db2.gz DBDBUQLKZJFGBT-LLVKDONJSA-N 2 2 246.318 0.849 20 0 BCADLP Nc1ccc(NC(=O)CC2([NH3+])CCC2)c[nH+]1 ZINC000669510333 488112795 /nfs/dbraw/zinc/11/27/95/488112795.db2.gz INOMWRGVMQQKRG-UHFFFAOYSA-N 2 2 220.276 0.874 20 0 BCADLP Cn1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)nn1 ZINC000677763793 488120593 /nfs/dbraw/zinc/12/05/93/488120593.db2.gz JHPTUWPJAPHXCK-GFCCVEGCSA-N 2 2 246.318 0.849 20 0 BCADLP Cn1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)nn1 ZINC000677763793 488120596 /nfs/dbraw/zinc/12/05/96/488120596.db2.gz JHPTUWPJAPHXCK-GFCCVEGCSA-N 2 2 246.318 0.849 20 0 BCADLP CC(C)C[C@H](C)C[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662288960 487539132 /nfs/dbraw/zinc/53/91/32/487539132.db2.gz WDBHTVLPFSNDIY-NWDGAFQWSA-N 2 2 232.368 0.283 20 0 BCADLP CC(C)C[C@H](C)C[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662288960 487539136 /nfs/dbraw/zinc/53/91/36/487539136.db2.gz WDBHTVLPFSNDIY-NWDGAFQWSA-N 2 2 232.368 0.283 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)[NH+](C)C ZINC000674286852 487547196 /nfs/dbraw/zinc/54/71/96/487547196.db2.gz ZRRXPHWCYNGTBC-UWVGGRQHSA-N 2 2 224.308 0.338 20 0 BCADLP C[C@@H]1C[C@H](C)[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000685580565 487548734 /nfs/dbraw/zinc/54/87/34/487548734.db2.gz RLXWSMMBSFLWLW-UMNHJUIQSA-N 2 2 212.337 0.924 20 0 BCADLP C[C@@H]1C[C@H](C)[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000685580565 487548739 /nfs/dbraw/zinc/54/87/39/487548739.db2.gz RLXWSMMBSFLWLW-UMNHJUIQSA-N 2 2 212.337 0.924 20 0 BCADLP C[C@@H]1C[C@H](C)[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000685580565 487548741 /nfs/dbraw/zinc/54/87/41/487548741.db2.gz RLXWSMMBSFLWLW-UMNHJUIQSA-N 2 2 212.337 0.924 20 0 BCADLP C[C@@H]1C[C@H](C)[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000685580565 487548744 /nfs/dbraw/zinc/54/87/44/487548744.db2.gz RLXWSMMBSFLWLW-UMNHJUIQSA-N 2 2 212.337 0.924 20 0 BCADLP COCC1([N@H+](C)C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000685570233 487551774 /nfs/dbraw/zinc/55/17/74/487551774.db2.gz PDRDYKPMYQFWKW-GFCCVEGCSA-N 2 2 242.363 0.552 20 0 BCADLP COCC1([N@@H+](C)C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000685570233 487551776 /nfs/dbraw/zinc/55/17/76/487551776.db2.gz PDRDYKPMYQFWKW-GFCCVEGCSA-N 2 2 242.363 0.552 20 0 BCADLP COCC1([NH+](C)C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000685570233 487551778 /nfs/dbraw/zinc/55/17/78/487551778.db2.gz PDRDYKPMYQFWKW-GFCCVEGCSA-N 2 2 242.363 0.552 20 0 BCADLP COCC1([NH+](C)C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000685570233 487551779 /nfs/dbraw/zinc/55/17/79/487551779.db2.gz PDRDYKPMYQFWKW-GFCCVEGCSA-N 2 2 242.363 0.552 20 0 BCADLP CC[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)[C@H](C)CO1 ZINC000403749685 488134755 /nfs/dbraw/zinc/13/47/55/488134755.db2.gz BMBUDWNYFLBPTE-UTUOFQBUSA-N 2 2 228.336 0.474 20 0 BCADLP CC[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)[C@H](C)CO1 ZINC000403749685 488134758 /nfs/dbraw/zinc/13/47/58/488134758.db2.gz BMBUDWNYFLBPTE-UTUOFQBUSA-N 2 2 228.336 0.474 20 0 BCADLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCCc2cccnc21 ZINC000684955644 487474858 /nfs/dbraw/zinc/47/48/58/487474858.db2.gz PWJTXVGXORRRNL-QWHCGFSZSA-N 2 2 249.358 0.971 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000086272330 487496150 /nfs/dbraw/zinc/49/61/50/487496150.db2.gz DLHPYJQYVWUCQH-IONNQARKSA-N 2 2 208.265 0.024 20 0 BCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000086272330 487496152 /nfs/dbraw/zinc/49/61/52/487496152.db2.gz DLHPYJQYVWUCQH-IONNQARKSA-N 2 2 208.265 0.024 20 0 BCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000086272329 487496164 /nfs/dbraw/zinc/49/61/64/487496164.db2.gz DLHPYJQYVWUCQH-VXNVDRBHSA-N 2 2 208.265 0.024 20 0 BCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000086272329 487496166 /nfs/dbraw/zinc/49/61/66/487496166.db2.gz DLHPYJQYVWUCQH-VXNVDRBHSA-N 2 2 208.265 0.024 20 0 BCADLP C[N@H+](CCC[NH3+])CC(=O)N1CCCCCC1 ZINC000019834788 487501575 /nfs/dbraw/zinc/50/15/75/487501575.db2.gz BBUDFJGJJITJKD-UHFFFAOYSA-N 2 2 227.352 0.670 20 0 BCADLP C[N@@H+](CCC[NH3+])CC(=O)N1CCCCCC1 ZINC000019834788 487501578 /nfs/dbraw/zinc/50/15/78/487501578.db2.gz BBUDFJGJJITJKD-UHFFFAOYSA-N 2 2 227.352 0.670 20 0 BCADLP COC[C@@H](C[N@H+](C1CC1)[C@H]1CC[NH2+]C1)OC ZINC000662266461 487502452 /nfs/dbraw/zinc/50/24/52/487502452.db2.gz ZYQVBGFXTXJMCT-NWDGAFQWSA-N 2 2 228.336 0.474 20 0 BCADLP COC[C@@H](C[N@@H+](C1CC1)[C@H]1CC[NH2+]C1)OC ZINC000662266461 487502458 /nfs/dbraw/zinc/50/24/58/487502458.db2.gz ZYQVBGFXTXJMCT-NWDGAFQWSA-N 2 2 228.336 0.474 20 0 BCADLP CNC(=O)[C@H](CC(C)C)[NH2+]Cc1c[nH+]cn1C ZINC000112344114 487515159 /nfs/dbraw/zinc/51/51/59/487515159.db2.gz XMDZZHQPMGACAC-NSHDSACASA-N 2 2 238.335 0.670 20 0 BCADLP CC1(C)[C@@H]2C[N@@H+](C[C@@H]3C[NH2+]CCO3)C[C@@H]21 ZINC000379558118 487515386 /nfs/dbraw/zinc/51/53/86/487515386.db2.gz LKRJHTOTEGNJGM-GARJFASQSA-N 2 2 210.321 0.563 20 0 BCADLP CC1(C)[C@@H]2C[N@H+](C[C@@H]3C[NH2+]CCO3)C[C@@H]21 ZINC000379558118 487515390 /nfs/dbraw/zinc/51/53/90/487515390.db2.gz LKRJHTOTEGNJGM-GARJFASQSA-N 2 2 210.321 0.563 20 0 BCADLP CC[C@H](O)CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336664300 487517480 /nfs/dbraw/zinc/51/74/80/487517480.db2.gz UQKQIESQKWFGCK-OUAUKWLOSA-N 2 2 200.326 0.687 20 0 BCADLP CC[C@H](O)CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336664300 487517487 /nfs/dbraw/zinc/51/74/87/487517487.db2.gz UQKQIESQKWFGCK-OUAUKWLOSA-N 2 2 200.326 0.687 20 0 BCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC000168564268 487521703 /nfs/dbraw/zinc/52/17/03/487521703.db2.gz YNGMLXKDZSCTJW-UWVGGRQHSA-N 2 2 208.309 0.589 20 0 BCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC000168564268 487521708 /nfs/dbraw/zinc/52/17/08/487521708.db2.gz YNGMLXKDZSCTJW-UWVGGRQHSA-N 2 2 208.309 0.589 20 0 BCADLP C[NH2+][C@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC000230775454 488156768 /nfs/dbraw/zinc/15/67/68/488156768.db2.gz SVPPVSNGCKIRLI-JTQLQIEISA-N 2 2 208.309 0.256 20 0 BCADLP C[NH2+][C@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC000230775454 488156771 /nfs/dbraw/zinc/15/67/71/488156771.db2.gz SVPPVSNGCKIRLI-JTQLQIEISA-N 2 2 208.309 0.256 20 0 BCADLP C[C@@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)CC[NH2+]1 ZINC000235448810 488136513 /nfs/dbraw/zinc/13/65/13/488136513.db2.gz XYZXZEAKTSPDAN-BDAKNGLRSA-N 2 2 246.318 0.916 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCc1ccnn1C ZINC000230764255 488155860 /nfs/dbraw/zinc/15/58/60/488155860.db2.gz LKHSXOSTWKBHJI-GFCCVEGCSA-N 2 2 222.336 0.646 20 0 BCADLP C[NH2+]C[C@H]1CCC[N@H+]1CCc1ccnn1C ZINC000230764255 488155863 /nfs/dbraw/zinc/15/58/63/488155863.db2.gz LKHSXOSTWKBHJI-GFCCVEGCSA-N 2 2 222.336 0.646 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCc2ccnn2C)CCO1 ZINC000230775492 488156751 /nfs/dbraw/zinc/15/67/51/488156751.db2.gz ADBRHJSYHBZKCO-PWSUYJOCSA-N 2 2 238.335 0.011 20 0 BCADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCc2ccnn2C)CCO1 ZINC000230775492 488156753 /nfs/dbraw/zinc/15/67/53/488156753.db2.gz ADBRHJSYHBZKCO-PWSUYJOCSA-N 2 2 238.335 0.011 20 0 BCADLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCc2ccnn2C)CCO1 ZINC000230775498 488157001 /nfs/dbraw/zinc/15/70/01/488157001.db2.gz ADBRHJSYHBZKCO-ZYHUDNBSSA-N 2 2 238.335 0.011 20 0 BCADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCc2ccnn2C)CCO1 ZINC000230775498 488157005 /nfs/dbraw/zinc/15/70/05/488157005.db2.gz ADBRHJSYHBZKCO-ZYHUDNBSSA-N 2 2 238.335 0.011 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1CCNC(=O)C[C@H]1C ZINC000677989134 488169221 /nfs/dbraw/zinc/16/92/21/488169221.db2.gz ZOLKZWARMOCPBW-SNVBAGLBSA-N 2 2 236.319 0.402 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1CCNC(=O)C[C@H]1C ZINC000677989134 488169222 /nfs/dbraw/zinc/16/92/22/488169222.db2.gz ZOLKZWARMOCPBW-SNVBAGLBSA-N 2 2 236.319 0.402 20 0 BCADLP CC(C)O[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000404627950 488172381 /nfs/dbraw/zinc/17/23/81/488172381.db2.gz FBXIQYLHFWPFGI-QWHCGFSZSA-N 2 2 242.363 0.864 20 0 BCADLP CC(C)O[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000404627950 488172385 /nfs/dbraw/zinc/17/23/85/488172385.db2.gz FBXIQYLHFWPFGI-QWHCGFSZSA-N 2 2 242.363 0.864 20 0 BCADLP CO[C@@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)CC[C@H]1C ZINC000299918891 488194920 /nfs/dbraw/zinc/19/49/20/488194920.db2.gz VSYDJBUWLJPTHA-IJLUTSLNSA-N 2 2 228.336 0.332 20 0 BCADLP CO[C@@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)CC[C@H]1C ZINC000299918891 488194927 /nfs/dbraw/zinc/19/49/27/488194927.db2.gz VSYDJBUWLJPTHA-IJLUTSLNSA-N 2 2 228.336 0.332 20 0 BCADLP C[N@H+]1C[C@@H]2C[NH+](Cc3cn[nH]c3)C[C@@H]2C1 ZINC000683843904 488231009 /nfs/dbraw/zinc/23/10/09/488231009.db2.gz HFLDOSWNJYXEIH-PHIMTYICSA-N 2 2 206.293 0.403 20 0 BCADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cn[nH]c3)C[C@@H]2C1 ZINC000683843904 488231011 /nfs/dbraw/zinc/23/10/11/488231011.db2.gz HFLDOSWNJYXEIH-PHIMTYICSA-N 2 2 206.293 0.403 20 0 BCADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cn[nH]c3)C[C@@H]2C1 ZINC000683843904 488231014 /nfs/dbraw/zinc/23/10/14/488231014.db2.gz HFLDOSWNJYXEIH-PHIMTYICSA-N 2 2 206.293 0.403 20 0 BCADLP C[NH+]1C[C@@H]2C[N@H+](Cc3cn[nH]c3)C[C@@H]2C1 ZINC000683843904 488231015 /nfs/dbraw/zinc/23/10/15/488231015.db2.gz HFLDOSWNJYXEIH-PHIMTYICSA-N 2 2 206.293 0.403 20 0 BCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000672151713 488241981 /nfs/dbraw/zinc/24/19/81/488241981.db2.gz XSGXYTLJGBTUEV-GHMZBOCLSA-N 2 2 248.330 0.266 20 0 BCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000672151713 488241984 /nfs/dbraw/zinc/24/19/84/488241984.db2.gz XSGXYTLJGBTUEV-GHMZBOCLSA-N 2 2 248.330 0.266 20 0 BCADLP C[C@@H](C[NH+](C)C)NC(=O)CCCn1cc[nH+]c1 ZINC000672516833 488258105 /nfs/dbraw/zinc/25/81/05/488258105.db2.gz VSPDFOLTWPLSST-NSHDSACASA-N 2 2 238.335 0.730 20 0 BCADLP C[C@@H](N[C@H]1C[N@H+](C)C[C@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000678602075 488270361 /nfs/dbraw/zinc/27/03/61/488270361.db2.gz SHZLPDUCRMYDQP-NDBYEHHHSA-N 2 2 241.379 0.245 20 0 BCADLP C[C@@H](N[C@H]1C[N@@H+](C)C[C@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000678602075 488270363 /nfs/dbraw/zinc/27/03/63/488270363.db2.gz SHZLPDUCRMYDQP-NDBYEHHHSA-N 2 2 241.379 0.245 20 0 BCADLP C[C@@H](N[C@H]1C[NH+](C)C[C@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000678602075 488270364 /nfs/dbraw/zinc/27/03/64/488270364.db2.gz SHZLPDUCRMYDQP-NDBYEHHHSA-N 2 2 241.379 0.245 20 0 BCADLP C[C@@H](N[C@H]1C[NH+](C)C[C@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000678602075 488270366 /nfs/dbraw/zinc/27/03/66/488270366.db2.gz SHZLPDUCRMYDQP-NDBYEHHHSA-N 2 2 241.379 0.245 20 0 BCADLP c1cn2c(cccc2C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000678843679 488290145 /nfs/dbraw/zinc/29/01/45/488290145.db2.gz MRLKTTCIKOBSBI-RYUDHWBXSA-N 2 2 242.326 0.986 20 0 BCADLP c1cn2c(cccc2CN2C[C@@H]3C[NH2+]C[C@H]3C2)[nH+]1 ZINC000678843679 488290147 /nfs/dbraw/zinc/29/01/47/488290147.db2.gz MRLKTTCIKOBSBI-RYUDHWBXSA-N 2 2 242.326 0.986 20 0 BCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCn1cncn1 ZINC000679036531 488304152 /nfs/dbraw/zinc/30/41/52/488304152.db2.gz MQAOTURPNROVKC-AAEUAGOBSA-N 2 2 249.362 0.741 20 0 BCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCn1cncn1 ZINC000679036531 488304157 /nfs/dbraw/zinc/30/41/57/488304157.db2.gz MQAOTURPNROVKC-AAEUAGOBSA-N 2 2 249.362 0.741 20 0 BCADLP COCC[N@H+](C)CCC[NH2+]Cc1cn(C)cn1 ZINC000684841704 488348716 /nfs/dbraw/zinc/34/87/16/488348716.db2.gz PBTANRWDDGWBCB-UHFFFAOYSA-N 2 2 240.351 0.478 20 0 BCADLP COCC[N@@H+](C)CCC[NH2+]Cc1cn(C)cn1 ZINC000684841704 488348718 /nfs/dbraw/zinc/34/87/18/488348718.db2.gz PBTANRWDDGWBCB-UHFFFAOYSA-N 2 2 240.351 0.478 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC000662299153 490048698 /nfs/dbraw/zinc/04/86/98/490048698.db2.gz UGGNUXSCPQMYRU-WOPDTQHZSA-N 2 2 226.320 0.228 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC000662299153 490048700 /nfs/dbraw/zinc/04/87/00/490048700.db2.gz UGGNUXSCPQMYRU-WOPDTQHZSA-N 2 2 226.320 0.228 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC000662299152 490048716 /nfs/dbraw/zinc/04/87/16/490048716.db2.gz UGGNUXSCPQMYRU-SRVKXCTJSA-N 2 2 226.320 0.228 20 0 BCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC000662299152 490048718 /nfs/dbraw/zinc/04/87/18/490048718.db2.gz UGGNUXSCPQMYRU-SRVKXCTJSA-N 2 2 226.320 0.228 20 0 BCADLP O=C(C[NH2+]CC1CC1)NCc1c[nH+]c[nH]1 ZINC000084081119 490365318 /nfs/dbraw/zinc/36/53/18/490365318.db2.gz VFTOQSREBLZDCE-UHFFFAOYSA-N 2 2 208.265 0.026 20 0 BCADLP O=C(C[NH2+]CC1CC1)NCc1c[nH]c[nH+]1 ZINC000084081119 490365322 /nfs/dbraw/zinc/36/53/22/490365322.db2.gz VFTOQSREBLZDCE-UHFFFAOYSA-N 2 2 208.265 0.026 20 0 BCADLP O=C(CC[NH2+]C1CC1)NCc1c[nH+]c[nH]1 ZINC000084081182 490365525 /nfs/dbraw/zinc/36/55/25/490365525.db2.gz YBUHCYBYHCFMJN-UHFFFAOYSA-N 2 2 208.265 0.168 20 0 BCADLP O=C(CC[NH2+]C1CC1)NCc1c[nH]c[nH+]1 ZINC000084081182 490365529 /nfs/dbraw/zinc/36/55/29/490365529.db2.gz YBUHCYBYHCFMJN-UHFFFAOYSA-N 2 2 208.265 0.168 20 0 BCADLP CCC[N@H+](C)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623267652 490415566 /nfs/dbraw/zinc/41/55/66/490415566.db2.gz XGKDEPUQXGTAAH-SNVBAGLBSA-N 2 2 236.319 0.266 20 0 BCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623267652 490415572 /nfs/dbraw/zinc/41/55/72/490415572.db2.gz XGKDEPUQXGTAAH-SNVBAGLBSA-N 2 2 236.319 0.266 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)C[C@H](O)C1CC1 ZINC000305632304 490466945 /nfs/dbraw/zinc/46/69/45/490466945.db2.gz MZUUVYLVJYQKDF-NSHDSACASA-N 2 2 209.293 0.586 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)C[C@H](O)C1CC1 ZINC000305632304 490466951 /nfs/dbraw/zinc/46/69/51/490466951.db2.gz MZUUVYLVJYQKDF-NSHDSACASA-N 2 2 209.293 0.586 20 0 BCADLP C[N@H+](CCn1cc[nH+]c1)C[C@@H](O)C1CC1 ZINC000305632302 490467673 /nfs/dbraw/zinc/46/76/73/490467673.db2.gz MZUUVYLVJYQKDF-LLVKDONJSA-N 2 2 209.293 0.586 20 0 BCADLP C[N@@H+](CCn1cc[nH+]c1)C[C@@H](O)C1CC1 ZINC000305632302 490467680 /nfs/dbraw/zinc/46/76/80/490467680.db2.gz MZUUVYLVJYQKDF-LLVKDONJSA-N 2 2 209.293 0.586 20 0 BCADLP Cc1nccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000131252716 490625414 /nfs/dbraw/zinc/62/54/14/490625414.db2.gz OUWSONNXSLQJEW-GHMZBOCLSA-N 2 2 218.304 0.436 20 0 BCADLP C[NH+](C)CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000169810714 490681958 /nfs/dbraw/zinc/68/19/58/490681958.db2.gz TZLKHFRZWRKBMP-JTQLQIEISA-N 2 2 236.319 0.677 20 0 BCADLP C[NH+](C)C/C=C\C(=O)NCCCn1cc[nH+]c1 ZINC000491849802 491080893 /nfs/dbraw/zinc/08/08/93/491080893.db2.gz WLDJHIKJJGYJAF-HYXAFXHYSA-N 2 2 236.319 0.507 20 0 BCADLP COC(=O)N1CC([NH2+]Cc2c[nH+]c(C)n2C)C1 ZINC000496121505 533930984 /nfs/dbraw/zinc/93/09/84/533930984.db2.gz PRJCWNMJCGXLGV-UHFFFAOYSA-N 2 2 238.291 0.269 20 0 BCADLP COC(=O)N1CCC([NH2+]C[C@H](C)[NH+](C)C)CC1 ZINC000496849879 533944946 /nfs/dbraw/zinc/94/49/46/533944946.db2.gz VWRCAMGGPHRIJH-JTQLQIEISA-N 2 2 243.351 0.757 20 0 BCADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261568684 535626667 /nfs/dbraw/zinc/62/66/67/535626667.db2.gz FTABUSITRWJQPB-HBNTYKKESA-N 2 2 226.320 0.479 20 0 BCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261568684 535626671 /nfs/dbraw/zinc/62/66/71/535626671.db2.gz FTABUSITRWJQPB-HBNTYKKESA-N 2 2 226.320 0.479 20 0 BCADLP CC[C@@]1(O)CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351618405 536084750 /nfs/dbraw/zinc/08/47/50/536084750.db2.gz GQLSPQYFVLGLDA-CHWSQXEVSA-N 2 2 242.363 0.288 20 0 BCADLP CC[C@@]1(O)CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351618405 536084754 /nfs/dbraw/zinc/08/47/54/536084754.db2.gz GQLSPQYFVLGLDA-CHWSQXEVSA-N 2 2 242.363 0.288 20 0 BCADLP CC[C@@]1(O)CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351618405 536084757 /nfs/dbraw/zinc/08/47/57/536084757.db2.gz GQLSPQYFVLGLDA-CHWSQXEVSA-N 2 2 242.363 0.288 20 0 BCADLP CC[C@@]1(O)CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351618405 536084762 /nfs/dbraw/zinc/08/47/62/536084762.db2.gz GQLSPQYFVLGLDA-CHWSQXEVSA-N 2 2 242.363 0.288 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCC1([NH3+])CCC1 ZINC000892054745 582777474 /nfs/dbraw/zinc/77/74/74/582777474.db2.gz VPZMAVFLZOAGSU-UHFFFAOYSA-N 2 2 237.307 0.433 20 0 BCADLP CC(C)Cn1cc[nH+]c1CNC(=O)CC[NH3+] ZINC000178809920 534911711 /nfs/dbraw/zinc/91/17/11/534911711.db2.gz HCPZRCCVPKATLX-UHFFFAOYSA-N 2 2 224.308 0.504 20 0 BCADLP COC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252843596 536473467 /nfs/dbraw/zinc/47/34/67/536473467.db2.gz DEECSXBBOVCYGE-LPEHRKFASA-N 2 2 212.293 0.219 20 0 BCADLP COC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252843596 536473469 /nfs/dbraw/zinc/47/34/69/536473469.db2.gz DEECSXBBOVCYGE-LPEHRKFASA-N 2 2 212.293 0.219 20 0 BCADLP CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400337163 527782101 /nfs/dbraw/zinc/78/21/01/527782101.db2.gz GIXBNAMZAOZCKH-DCAQKATOSA-N 2 2 227.352 0.583 20 0 BCADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H]2COC[C@H]2O)C1 ZINC000463096056 528185511 /nfs/dbraw/zinc/18/55/11/528185511.db2.gz GGPJAFCQFYPXSX-FRRDWIJNSA-N 2 2 242.363 0.410 20 0 BCADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H]2COC[C@H]2O)C1 ZINC000463096056 528185517 /nfs/dbraw/zinc/18/55/17/528185517.db2.gz GGPJAFCQFYPXSX-FRRDWIJNSA-N 2 2 242.363 0.410 20 0 BCADLP COCCOC[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000892567264 582915428 /nfs/dbraw/zinc/91/54/28/582915428.db2.gz RLFVFVPOKZAYTJ-VXGBXAGGSA-N 2 2 241.335 0.913 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]C/C=C/c1ccncc1 ZINC000487541511 528550149 /nfs/dbraw/zinc/55/01/49/528550149.db2.gz QXOSIHQLVRAADS-ONEGZZNKSA-N 2 2 249.358 0.999 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]C/C=C/c1ccncc1 ZINC000487541511 528550154 /nfs/dbraw/zinc/55/01/54/528550154.db2.gz QXOSIHQLVRAADS-ONEGZZNKSA-N 2 2 249.358 0.999 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]C/C=C\c1ccncc1 ZINC000487541509 528550417 /nfs/dbraw/zinc/55/04/17/528550417.db2.gz QXOSIHQLVRAADS-ARJAWSKDSA-N 2 2 249.358 0.999 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]C/C=C\c1ccncc1 ZINC000487541509 528550422 /nfs/dbraw/zinc/55/04/22/528550422.db2.gz QXOSIHQLVRAADS-ARJAWSKDSA-N 2 2 249.358 0.999 20 0 BCADLP CC(C)[N@H+](C)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492775578 528817944 /nfs/dbraw/zinc/81/79/44/528817944.db2.gz YEYDWXMXHMMSRV-SNAWJCMRSA-N 2 2 236.319 0.879 20 0 BCADLP CC(C)[N@@H+](C)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492775578 528817949 /nfs/dbraw/zinc/81/79/49/528817949.db2.gz YEYDWXMXHMMSRV-SNAWJCMRSA-N 2 2 236.319 0.879 20 0 BCADLP CCOC(=O)N[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000496102280 529095440 /nfs/dbraw/zinc/09/54/40/529095440.db2.gz JURCLGGEVDOTCW-SNVBAGLBSA-N 2 2 243.351 0.934 20 0 BCADLP CCOC(=O)N[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000496102280 529095442 /nfs/dbraw/zinc/09/54/42/529095442.db2.gz JURCLGGEVDOTCW-SNVBAGLBSA-N 2 2 243.351 0.934 20 0 BCADLP CCN1CC[N@H+](CCn2cc[nH+]c2)[C@H](C)C1=O ZINC000495216075 529146445 /nfs/dbraw/zinc/14/64/45/529146445.db2.gz VLORGADQNPDPFG-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP CCN1CC[N@@H+](CCn2cc[nH+]c2)[C@H](C)C1=O ZINC000495216075 529146447 /nfs/dbraw/zinc/14/64/47/529146447.db2.gz VLORGADQNPDPFG-LLVKDONJSA-N 2 2 236.319 0.436 20 0 BCADLP CCN1CC[N@H+](CCn2cc[nH+]c2)[C@@H](C)C1=O ZINC000495216076 529146599 /nfs/dbraw/zinc/14/65/99/529146599.db2.gz VLORGADQNPDPFG-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP CCN1CC[N@@H+](CCn2cc[nH+]c2)[C@@H](C)C1=O ZINC000495216076 529146601 /nfs/dbraw/zinc/14/66/01/529146601.db2.gz VLORGADQNPDPFG-NSHDSACASA-N 2 2 236.319 0.436 20 0 BCADLP CC(C)([NH3+])C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000261931861 535197863 /nfs/dbraw/zinc/19/78/63/535197863.db2.gz LOQMDYNGIJMOOE-UHFFFAOYSA-N 2 2 239.363 0.714 20 0 BCADLP CC(C)N1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1=O ZINC000335651006 535239270 /nfs/dbraw/zinc/23/92/70/535239270.db2.gz NDVPKZOVBWUVMX-WDEREUQCSA-N 2 2 225.336 0.337 20 0 BCADLP CCn1nccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261550303 535871597 /nfs/dbraw/zinc/87/15/97/535871597.db2.gz LEZUPBYJIZDJKM-VXGBXAGGSA-N 2 2 234.347 0.944 20 0 BCADLP CCn1nccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261550303 535871601 /nfs/dbraw/zinc/87/16/01/535871601.db2.gz LEZUPBYJIZDJKM-VXGBXAGGSA-N 2 2 234.347 0.944 20 0 BCADLP CC[C@]1(O)CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351618408 535962886 /nfs/dbraw/zinc/96/28/86/535962886.db2.gz GQLSPQYFVLGLDA-STQMWFEESA-N 2 2 242.363 0.288 20 0 BCADLP CC[C@]1(O)CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351618408 535962892 /nfs/dbraw/zinc/96/28/92/535962892.db2.gz GQLSPQYFVLGLDA-STQMWFEESA-N 2 2 242.363 0.288 20 0 BCADLP CC[C@]1(O)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351618408 535962896 /nfs/dbraw/zinc/96/28/96/535962896.db2.gz GQLSPQYFVLGLDA-STQMWFEESA-N 2 2 242.363 0.288 20 0 BCADLP CC[C@]1(O)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351618408 535962901 /nfs/dbraw/zinc/96/29/01/535962901.db2.gz GQLSPQYFVLGLDA-STQMWFEESA-N 2 2 242.363 0.288 20 0 BCADLP CC[C@]1(O)CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351618406 535963022 /nfs/dbraw/zinc/96/30/22/535963022.db2.gz GQLSPQYFVLGLDA-OLZOCXBDSA-N 2 2 242.363 0.288 20 0 BCADLP CC[C@]1(O)CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351618406 535963026 /nfs/dbraw/zinc/96/30/26/535963026.db2.gz GQLSPQYFVLGLDA-OLZOCXBDSA-N 2 2 242.363 0.288 20 0 BCADLP CC[C@]1(O)CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351618406 535963031 /nfs/dbraw/zinc/96/30/31/535963031.db2.gz GQLSPQYFVLGLDA-OLZOCXBDSA-N 2 2 242.363 0.288 20 0 BCADLP CC[C@]1(O)CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351618406 535963036 /nfs/dbraw/zinc/96/30/36/535963036.db2.gz GQLSPQYFVLGLDA-OLZOCXBDSA-N 2 2 242.363 0.288 20 0 BCADLP CN(C(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)C1CC1 ZINC000261540958 535990859 /nfs/dbraw/zinc/99/08/59/535990859.db2.gz ASCWBEKQENXMKZ-ZDUSSCGKSA-N 2 2 237.347 0.293 20 0 BCADLP CN(C(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)C1CC1 ZINC000261540958 535990863 /nfs/dbraw/zinc/99/08/63/535990863.db2.gz ASCWBEKQENXMKZ-ZDUSSCGKSA-N 2 2 237.347 0.293 20 0 BCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCNC(=O)CC1 ZINC000335698464 536357267 /nfs/dbraw/zinc/35/72/67/536357267.db2.gz QGNBBRNJFFCNTF-LBPRGKRZSA-N 2 2 239.363 0.683 20 0 BCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCNC(=O)CC1 ZINC000335698464 536357270 /nfs/dbraw/zinc/35/72/70/536357270.db2.gz QGNBBRNJFFCNTF-LBPRGKRZSA-N 2 2 239.363 0.683 20 0 BCADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCNC(=O)CC1 ZINC000335698464 536357274 /nfs/dbraw/zinc/35/72/74/536357274.db2.gz QGNBBRNJFFCNTF-LBPRGKRZSA-N 2 2 239.363 0.683 20 0 BCADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCNC(=O)CC1 ZINC000335698464 536357275 /nfs/dbraw/zinc/35/72/75/536357275.db2.gz QGNBBRNJFFCNTF-LBPRGKRZSA-N 2 2 239.363 0.683 20 0 BCADLP COC[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000261981001 536786079 /nfs/dbraw/zinc/78/60/79/536786079.db2.gz RHRWNXADIHJNFJ-UPJWGTAASA-N 2 2 242.363 0.722 20 0 BCADLP COC[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000261981001 536786084 /nfs/dbraw/zinc/78/60/84/536786084.db2.gz RHRWNXADIHJNFJ-UPJWGTAASA-N 2 2 242.363 0.722 20 0 BCADLP COCC[N@@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000252777005 536878531 /nfs/dbraw/zinc/87/85/31/536878531.db2.gz PWCHZPWUDKJGNK-UWVGGRQHSA-N 2 2 202.298 0.071 20 0 BCADLP COCC[N@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000252777005 536878537 /nfs/dbraw/zinc/87/85/37/536878537.db2.gz PWCHZPWUDKJGNK-UWVGGRQHSA-N 2 2 202.298 0.071 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H](CO)CC1CC1 ZINC000394416432 582968965 /nfs/dbraw/zinc/96/89/65/582968965.db2.gz JZGULYCOJWXZQV-JLLWLGSASA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H](CO)CC1CC1 ZINC000394416432 582968967 /nfs/dbraw/zinc/96/89/67/582968967.db2.gz JZGULYCOJWXZQV-JLLWLGSASA-N 2 2 212.337 0.687 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCCC(C)(C)[NH3+] ZINC000892846766 582995327 /nfs/dbraw/zinc/99/53/27/582995327.db2.gz MSTHOEDQVFDSPL-UHFFFAOYSA-N 2 2 239.323 0.679 20 0 BCADLP O[C@H](C[NH2+]CCCn1cc[nH+]c1)c1ccccn1 ZINC000853059972 588718243 /nfs/dbraw/zinc/71/82/43/588718243.db2.gz NSSCVARRJZOMSM-CYBMUJFWSA-N 2 2 246.314 0.991 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)c1ccccn1 ZINC000853097389 588719639 /nfs/dbraw/zinc/71/96/39/588719639.db2.gz AMSQIKQKXBKVRN-AAEUAGOBSA-N 2 2 246.314 0.990 20 0 BCADLP CC(C)([NH3+])C[NH+]1CCC(N2CCOC2=O)CC1 ZINC000853247152 588728728 /nfs/dbraw/zinc/72/87/28/588728728.db2.gz FBVTWOIQRFVVEH-UHFFFAOYSA-N 2 2 241.335 0.640 20 0 BCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854600500 588796566 /nfs/dbraw/zinc/79/65/66/588796566.db2.gz WLXIGBICRRJWQF-UWVGGRQHSA-N 2 2 234.303 0.115 20 0 BCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854600500 588796567 /nfs/dbraw/zinc/79/65/67/588796567.db2.gz WLXIGBICRRJWQF-UWVGGRQHSA-N 2 2 234.303 0.115 20 0 BCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)Cc1[nH]cc[nH+]1 ZINC000854967830 588819286 /nfs/dbraw/zinc/81/92/86/588819286.db2.gz KXOQDWVTKYWSHM-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)Cc1[nH]cc[nH+]1 ZINC000854967830 588819287 /nfs/dbraw/zinc/81/92/87/588819287.db2.gz KXOQDWVTKYWSHM-SNVBAGLBSA-N 2 2 236.319 0.505 20 0 BCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(F)F ZINC000855416579 588832076 /nfs/dbraw/zinc/83/20/76/588832076.db2.gz OSASXWVPWOTTFA-UHFFFAOYSA-N 2 2 237.294 0.251 20 0 BCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(F)F ZINC000855416579 588832077 /nfs/dbraw/zinc/83/20/77/588832077.db2.gz OSASXWVPWOTTFA-UHFFFAOYSA-N 2 2 237.294 0.251 20 0 BCADLP C/C=C(\C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855414509 588832081 /nfs/dbraw/zinc/83/20/81/588832081.db2.gz FLWUUHWLPLTESD-WUXMJOGZSA-N 2 2 241.379 0.952 20 0 BCADLP C/C=C(\C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855414509 588832082 /nfs/dbraw/zinc/83/20/82/588832082.db2.gz FLWUUHWLPLTESD-WUXMJOGZSA-N 2 2 241.379 0.952 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC[S@@](C)=O)C1 ZINC000846838879 582666998 /nfs/dbraw/zinc/66/69/98/582666998.db2.gz QNUIIYGBNPVEMI-QLJPJBMISA-N 2 2 241.360 0.588 20 0 BCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC[S@@](C)=O)C1 ZINC000846838879 582667000 /nfs/dbraw/zinc/66/70/00/582667000.db2.gz QNUIIYGBNPVEMI-QLJPJBMISA-N 2 2 241.360 0.588 20 0 BCADLP Cn1cc[nH+]c1CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891506720 582693621 /nfs/dbraw/zinc/69/36/21/582693621.db2.gz KPBABVOVQKGPOB-AOOOYVTPSA-N 2 2 249.318 0.066 20 0 BCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCc1[nH+]ccn1C ZINC000891506965 582694232 /nfs/dbraw/zinc/69/42/32/582694232.db2.gz NCVOBYUBSZIDPL-RKDXNWHRSA-N 2 2 237.307 0.051 20 0 BCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000891927712 582739353 /nfs/dbraw/zinc/73/93/53/582739353.db2.gz NOJQPQNAQOKVCS-KXUCPTDWSA-N 2 2 249.318 0.459 20 0 BCADLP C[C@H](CNc1cc(N(C)C)[nH+]cn1)[NH+](C)C ZINC000892028840 582766122 /nfs/dbraw/zinc/76/61/22/582766122.db2.gz QWQJGMOCZNKSGJ-SECBINFHSA-N 2 2 223.324 0.905 20 0 BCADLP C[C@H](CC[NH3+])NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000892055971 582777998 /nfs/dbraw/zinc/77/79/98/582777998.db2.gz OQKZPGZPBTYIMW-MRVPVSSYSA-N 2 2 225.296 0.288 20 0 BCADLP O=c1cc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc[nH]1 ZINC000892059134 582779378 /nfs/dbraw/zinc/77/93/78/582779378.db2.gz WNDWSUSUKZRXQJ-NWDGAFQWSA-N 2 2 233.315 0.971 20 0 BCADLP O=c1cc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc[nH]1 ZINC000892059134 582779381 /nfs/dbraw/zinc/77/93/81/582779381.db2.gz WNDWSUSUKZRXQJ-NWDGAFQWSA-N 2 2 233.315 0.971 20 0 BCADLP Cn1nc2c(c1C[N@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000892250573 582813484 /nfs/dbraw/zinc/81/34/84/582813484.db2.gz AKQVAIDWNOAORS-PHIMTYICSA-N 2 2 246.358 0.560 20 0 BCADLP Cn1nc2c(c1C[N@@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000892250573 582813485 /nfs/dbraw/zinc/81/34/85/582813485.db2.gz AKQVAIDWNOAORS-PHIMTYICSA-N 2 2 246.358 0.560 20 0 BCADLP C[N@@H+](Cc1cccc(O)c1)C[C@H]1C[NH2+]CCO1 ZINC000125513982 582825094 /nfs/dbraw/zinc/82/50/94/582825094.db2.gz PGNUSWNKHBMMEC-CYBMUJFWSA-N 2 2 236.315 0.812 20 0 BCADLP C[N@H+](Cc1cccc(O)c1)C[C@H]1C[NH2+]CCO1 ZINC000125513982 582825097 /nfs/dbraw/zinc/82/50/97/582825097.db2.gz PGNUSWNKHBMMEC-CYBMUJFWSA-N 2 2 236.315 0.812 20 0 BCADLP c1n[nH]cc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000393792201 582925046 /nfs/dbraw/zinc/92/50/46/582925046.db2.gz FUIJMHSQEMAIPB-SECBINFHSA-N 2 2 217.276 0.780 20 0 BCADLP c1n[nH]cc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000393792201 582925048 /nfs/dbraw/zinc/92/50/48/582925048.db2.gz FUIJMHSQEMAIPB-SECBINFHSA-N 2 2 217.276 0.780 20 0 BCADLP CC(=O)OC[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000892665804 582945375 /nfs/dbraw/zinc/94/53/75/582945375.db2.gz VINGMWGQFNUWBL-GXSJLCMTSA-N 2 2 214.309 0.622 20 0 BCADLP CC(=O)OC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000892665804 582945377 /nfs/dbraw/zinc/94/53/77/582945377.db2.gz VINGMWGQFNUWBL-GXSJLCMTSA-N 2 2 214.309 0.622 20 0 BCADLP COCCOC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000892720792 582967180 /nfs/dbraw/zinc/96/71/80/582967180.db2.gz GEEGDJGTBHVIRN-NEPJUHHUSA-N 2 2 230.352 0.722 20 0 BCADLP COCCOC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000892720792 582967182 /nfs/dbraw/zinc/96/71/82/582967182.db2.gz GEEGDJGTBHVIRN-NEPJUHHUSA-N 2 2 230.352 0.722 20 0 BCADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)[C@H]1OC ZINC000892723102 582969752 /nfs/dbraw/zinc/96/97/52/582969752.db2.gz ZIUMSHGWCJYZHU-FDYHWXHSSA-N 2 2 242.363 0.863 20 0 BCADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)[C@H]1OC ZINC000892723102 582969754 /nfs/dbraw/zinc/96/97/54/582969754.db2.gz ZIUMSHGWCJYZHU-FDYHWXHSSA-N 2 2 242.363 0.863 20 0 BCADLP Cc1cc(N)nc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)[nH+]1 ZINC000893077616 583043030 /nfs/dbraw/zinc/04/30/30/583043030.db2.gz BEEIQWFMHXHRSQ-VHSXEESVSA-N 2 2 235.335 0.896 20 0 BCADLP Cc1cc(N)nc(N2C[C@H](C)[N@H+](C)C[C@H]2C)[nH+]1 ZINC000893077616 583043032 /nfs/dbraw/zinc/04/30/32/583043032.db2.gz BEEIQWFMHXHRSQ-VHSXEESVSA-N 2 2 235.335 0.896 20 0 BCADLP CCn1ncc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000857084696 588886541 /nfs/dbraw/zinc/88/65/41/588886541.db2.gz XWOVINBMRGDXTD-QWRGUYRKSA-N 2 2 237.351 0.857 20 0 BCADLP CCn1ncc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000857084696 588886543 /nfs/dbraw/zinc/88/65/43/588886543.db2.gz XWOVINBMRGDXTD-QWRGUYRKSA-N 2 2 237.351 0.857 20 0 BCADLP CC[N@H+](CCO)CC[NH2+]C[C@H]1COC(C)(C)O1 ZINC000893647921 583186405 /nfs/dbraw/zinc/18/64/05/583186405.db2.gz ZLFAFIZKDZVKSK-NSHDSACASA-N 2 2 246.351 0.042 20 0 BCADLP CC[N@@H+](CCO)CC[NH2+]C[C@H]1COC(C)(C)O1 ZINC000893647921 583186408 /nfs/dbraw/zinc/18/64/08/583186408.db2.gz ZLFAFIZKDZVKSK-NSHDSACASA-N 2 2 246.351 0.042 20 0 BCADLP CCn1ncc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000857084432 588886591 /nfs/dbraw/zinc/88/65/91/588886591.db2.gz SLVFPKYSNOYDOG-UWVGGRQHSA-N 2 2 223.324 0.467 20 0 BCADLP CCn1ncc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000857084432 588886592 /nfs/dbraw/zinc/88/65/92/588886592.db2.gz SLVFPKYSNOYDOG-UWVGGRQHSA-N 2 2 223.324 0.467 20 0 BCADLP [NH3+][C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCOC1=O)C2 ZINC000857087810 588887124 /nfs/dbraw/zinc/88/71/24/588887124.db2.gz VTNTXQUMMRAHET-NGZCFLSTSA-N 2 2 210.277 0.115 20 0 BCADLP [NH3+][C@]12CCC[C@H]1C[N@H+]([C@@H]1CCOC1=O)C2 ZINC000857087810 588887125 /nfs/dbraw/zinc/88/71/25/588887125.db2.gz VTNTXQUMMRAHET-NGZCFLSTSA-N 2 2 210.277 0.115 20 0 BCADLP CCn1cc[nH+]c1CNC(=O)NCC[C@H](C)[NH3+] ZINC000857104014 588887703 /nfs/dbraw/zinc/88/77/03/588887703.db2.gz JPTVTJZLXLEKPK-VIFPVBQESA-N 2 2 239.323 0.440 20 0 BCADLP COC[C@H]([NH2+]CC1CC[NH+](C)CC1)C(=O)OC ZINC000893950845 583260729 /nfs/dbraw/zinc/26/07/29/583260729.db2.gz JAYMZYSOPMMRCU-NSHDSACASA-N 2 2 244.335 0.106 20 0 BCADLP C[C@H]([NH3+])CCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000857107525 588888748 /nfs/dbraw/zinc/88/87/48/588888748.db2.gz XVNKNSDQMVBONE-QMMMGPOBSA-N 2 2 225.296 0.288 20 0 BCADLP C[C@H]([NH3+])CCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000857107525 588888750 /nfs/dbraw/zinc/88/87/50/588888750.db2.gz XVNKNSDQMVBONE-QMMMGPOBSA-N 2 2 225.296 0.288 20 0 BCADLP Cc1ncoc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000894199638 583336253 /nfs/dbraw/zinc/33/62/53/583336253.db2.gz AYECZRQPDADLNK-NSHDSACASA-N 2 2 239.319 0.529 20 0 BCADLP Cc1cc[nH+]c(N)c1C[NH2+]C[C@H](O)C(F)(F)F ZINC000894200072 583336645 /nfs/dbraw/zinc/33/66/45/583336645.db2.gz IMWCMNKISLPXAZ-QMMMGPOBSA-N 2 2 249.236 0.985 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000878482616 583376357 /nfs/dbraw/zinc/37/63/57/583376357.db2.gz VFYYBNWLTRQFPF-PWSUYJOCSA-N 2 2 221.304 0.277 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000878482616 583376359 /nfs/dbraw/zinc/37/63/59/583376359.db2.gz VFYYBNWLTRQFPF-PWSUYJOCSA-N 2 2 221.304 0.277 20 0 BCADLP CC1(C)COCCN1CC[NH2+]Cc1c[nH+]c[nH]1 ZINC000894391082 583446435 /nfs/dbraw/zinc/44/64/35/583446435.db2.gz AFTRFVMONQCGAW-UHFFFAOYSA-N 2 2 238.335 0.610 20 0 BCADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2CN2CCC2=O)C1 ZINC000857235935 588899762 /nfs/dbraw/zinc/89/97/62/588899762.db2.gz VNTADMFTXQUWJJ-RYUDHWBXSA-N 2 2 237.347 0.592 20 0 BCADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CN2CCC2=O)C1 ZINC000857235935 588899763 /nfs/dbraw/zinc/89/97/63/588899763.db2.gz VNTADMFTXQUWJJ-RYUDHWBXSA-N 2 2 237.347 0.592 20 0 BCADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2CN2CCC2=O)C1 ZINC000857235935 588899764 /nfs/dbraw/zinc/89/97/64/588899764.db2.gz VNTADMFTXQUWJJ-RYUDHWBXSA-N 2 2 237.347 0.592 20 0 BCADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2CN2CCC2=O)C1 ZINC000857235935 588899765 /nfs/dbraw/zinc/89/97/65/588899765.db2.gz VNTADMFTXQUWJJ-RYUDHWBXSA-N 2 2 237.347 0.592 20 0 BCADLP CCc1nc(N(C)CC[N@@H+](C)CCO)cc[nH+]1 ZINC000894590750 583488103 /nfs/dbraw/zinc/48/81/03/583488103.db2.gz HDRGKCZLEIISSA-UHFFFAOYSA-N 2 2 238.335 0.399 20 0 BCADLP C[C@H](CCO)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000894667720 583501938 /nfs/dbraw/zinc/50/19/38/583501938.db2.gz KJQGIZBTGDWDTM-VXGBXAGGSA-N 2 2 230.352 0.194 20 0 BCADLP C[C@H](CCO)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000894667720 583501941 /nfs/dbraw/zinc/50/19/41/583501941.db2.gz KJQGIZBTGDWDTM-VXGBXAGGSA-N 2 2 230.352 0.194 20 0 BCADLP C[C@H](CCO)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000894674470 583504948 /nfs/dbraw/zinc/50/49/48/583504948.db2.gz XVBVMZJMJYFGGW-VXGBXAGGSA-N 2 2 230.352 0.194 20 0 BCADLP C[C@H](CCO)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000894674470 583504949 /nfs/dbraw/zinc/50/49/49/583504949.db2.gz XVBVMZJMJYFGGW-VXGBXAGGSA-N 2 2 230.352 0.194 20 0 BCADLP Cc1[nH+]cc(C[NH2+]C[C@H]2COCO2)n1C ZINC000894884219 583545981 /nfs/dbraw/zinc/54/59/81/583545981.db2.gz DYEBNSYMBITGCM-JTQLQIEISA-N 2 2 211.265 0.191 20 0 BCADLP C[NH2+]CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000857846066 588911944 /nfs/dbraw/zinc/91/19/44/588911944.db2.gz WIEGWOZZXRXHDC-SNVBAGLBSA-N 2 2 236.319 0.123 20 0 BCADLP O=C1[C@H]([NH2+]Cc2c[nH+]c[nH]2)C[C@H]2CCCCN12 ZINC000894970073 583560823 /nfs/dbraw/zinc/56/08/23/583560823.db2.gz VFJBNSATEYJIDJ-GHMZBOCLSA-N 2 2 234.303 0.653 20 0 BCADLP O[C@]1(CC[NH2+]Cc2c[nH+]c[nH]2)CCCOC1 ZINC000895148935 583605606 /nfs/dbraw/zinc/60/56/06/583605606.db2.gz AUOHUAJMORORPL-NSHDSACASA-N 2 2 225.292 0.431 20 0 BCADLP COC(=O)[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c[nH]2)C1 ZINC000895315613 583648126 /nfs/dbraw/zinc/64/81/26/583648126.db2.gz CDVVJGHAZKKGEI-OCAPTIKFSA-N 2 2 209.249 0.451 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C(=O)NCC2(C)C)CC[N@@H+]1C ZINC000895323098 583650032 /nfs/dbraw/zinc/65/00/32/583650032.db2.gz YJIYHSWAVOFPDF-OUAUKWLOSA-N 2 2 239.363 0.583 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C(=O)NCC2(C)C)CC[N@H+]1C ZINC000895323098 583650033 /nfs/dbraw/zinc/65/00/33/583650033.db2.gz YJIYHSWAVOFPDF-OUAUKWLOSA-N 2 2 239.363 0.583 20 0 BCADLP C[N@@H+](Cc1cnn(CCF)c1)CC1C[NH+](C)C1 ZINC000895363479 583660020 /nfs/dbraw/zinc/66/00/20/583660020.db2.gz UGUJGGCXIKOKRP-UHFFFAOYSA-N 2 2 240.326 0.846 20 0 BCADLP C[N@H+](Cc1cnn(CCF)c1)CC1C[NH+](C)C1 ZINC000895363479 583660021 /nfs/dbraw/zinc/66/00/21/583660021.db2.gz UGUJGGCXIKOKRP-UHFFFAOYSA-N 2 2 240.326 0.846 20 0 BCADLP CN(CC[NH2+]Cc1c[nH+]c[nH]1)CC(F)F ZINC000895416572 583667043 /nfs/dbraw/zinc/66/70/43/583667043.db2.gz ZDWLSLJVUCJLJV-UHFFFAOYSA-N 2 2 218.251 0.696 20 0 BCADLP O[C@]12C[C@H]1C[N@H+](Cc1cccc3[nH+]ccn31)C2 ZINC000895653534 583704268 /nfs/dbraw/zinc/70/42/68/583704268.db2.gz MWDPVPOJIHGMDR-GWCFXTLKSA-N 2 2 229.283 0.901 20 0 BCADLP O[C@]12C[C@H]1C[N@@H+](Cc1cccc3[nH+]ccn31)C2 ZINC000895653534 583704269 /nfs/dbraw/zinc/70/42/69/583704269.db2.gz MWDPVPOJIHGMDR-GWCFXTLKSA-N 2 2 229.283 0.901 20 0 BCADLP Cc1cc(N)nc(NC[C@H]2CC[N@H+]2C)[nH+]1 ZINC000895766531 583719406 /nfs/dbraw/zinc/71/94/06/583719406.db2.gz DSSRLRNVDCERSI-MRVPVSSYSA-N 2 2 207.281 0.483 20 0 BCADLP Cc1cc(N)nc(NC[C@H]2CC[N@@H+]2C)[nH+]1 ZINC000895766531 583719407 /nfs/dbraw/zinc/71/94/07/583719407.db2.gz DSSRLRNVDCERSI-MRVPVSSYSA-N 2 2 207.281 0.483 20 0 BCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857984551 588925951 /nfs/dbraw/zinc/92/59/51/588925951.db2.gz JTSHFTNMVNXWBX-ZJUUUORDSA-N 2 2 234.303 0.538 20 0 BCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857984551 588925952 /nfs/dbraw/zinc/92/59/52/588925952.db2.gz JTSHFTNMVNXWBX-ZJUUUORDSA-N 2 2 234.303 0.538 20 0 BCADLP C[N@H+](CC(=O)N[C@H]1CCn2c[nH+]cc21)C1CCC1 ZINC000857977234 588926865 /nfs/dbraw/zinc/92/68/65/588926865.db2.gz SYQKYVNXSKUXIT-NSHDSACASA-N 2 2 248.330 0.928 20 0 BCADLP C[N@@H+](CC(=O)N[C@H]1CCn2c[nH+]cc21)C1CCC1 ZINC000857977234 588926867 /nfs/dbraw/zinc/92/68/67/588926867.db2.gz SYQKYVNXSKUXIT-NSHDSACASA-N 2 2 248.330 0.928 20 0 BCADLP C[NH+](C)C1(C(=O)N[C@H]2CCn3c[nH+]cc32)CCC1 ZINC000857982259 588928088 /nfs/dbraw/zinc/92/80/88/588928088.db2.gz OFHBGVSACKTJDO-JTQLQIEISA-N 2 2 248.330 0.928 20 0 BCADLP COCCOC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000896553605 583811864 /nfs/dbraw/zinc/81/18/64/583811864.db2.gz RCDYNOOGBLTFMS-QJPTWQEYSA-N 2 2 230.352 0.720 20 0 BCADLP COCCOC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000896553605 583811865 /nfs/dbraw/zinc/81/18/65/583811865.db2.gz RCDYNOOGBLTFMS-QJPTWQEYSA-N 2 2 230.352 0.720 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCOC1 ZINC000896553694 583811887 /nfs/dbraw/zinc/81/18/87/583811887.db2.gz GFISRCWABGMDBN-YVECIDJPSA-N 2 2 242.363 0.720 20 0 BCADLP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCOC1 ZINC000896553694 583811888 /nfs/dbraw/zinc/81/18/88/583811888.db2.gz GFISRCWABGMDBN-YVECIDJPSA-N 2 2 242.363 0.720 20 0 BCADLP Cc1[nH]c(CNC(=O)C[NH+](C)C)[nH+]c1C ZINC000896920356 583857493 /nfs/dbraw/zinc/85/74/93/583857493.db2.gz MVKSIHRBKLGGRV-UHFFFAOYSA-N 2 2 210.281 0.204 20 0 BCADLP OCc1cc(NCC[NH+]2CCOCC2)cc[nH+]1 ZINC000858310715 588943872 /nfs/dbraw/zinc/94/38/72/588943872.db2.gz SJOQDBXNHIWWTD-UHFFFAOYSA-N 2 2 237.303 0.318 20 0 BCADLP O[C@H]1CC[N@H+](CC[NH2+]C[C@H]2CCCOC2)C1 ZINC000858339131 588947072 /nfs/dbraw/zinc/94/70/72/588947072.db2.gz OVTBRLPLPWPTMQ-NEPJUHHUSA-N 2 2 228.336 0.069 20 0 BCADLP O[C@H]1CC[N@@H+](CC[NH2+]C[C@H]2CCCOC2)C1 ZINC000858339131 588947074 /nfs/dbraw/zinc/94/70/74/588947074.db2.gz OVTBRLPLPWPTMQ-NEPJUHHUSA-N 2 2 228.336 0.069 20 0 BCADLP C[C@H]1C[N@H+](Cc2c[nH+]c3n2CCC3)C[C@H]1O ZINC000897679408 584037335 /nfs/dbraw/zinc/03/73/35/584037335.db2.gz KDQVMXDUYLHNFB-GXSJLCMTSA-N 2 2 221.304 0.642 20 0 BCADLP C[C@H]1C[N@@H+](Cc2c[nH+]c3n2CCC3)C[C@H]1O ZINC000897679408 584037336 /nfs/dbraw/zinc/03/73/36/584037336.db2.gz KDQVMXDUYLHNFB-GXSJLCMTSA-N 2 2 221.304 0.642 20 0 BCADLP COc1nn(C)cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000898029544 584077531 /nfs/dbraw/zinc/07/75/31/584077531.db2.gz VLCKSNBCGGPSHS-UHFFFAOYSA-N 2 2 238.335 0.613 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC[C@H](O)C1CC1 ZINC000898202988 584090547 /nfs/dbraw/zinc/09/05/47/584090547.db2.gz PCPXRNXLAPJXAY-USWWRNFRSA-N 2 2 212.337 0.687 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC[C@H](O)C1CC1 ZINC000898202988 584090549 /nfs/dbraw/zinc/09/05/49/584090549.db2.gz PCPXRNXLAPJXAY-USWWRNFRSA-N 2 2 212.337 0.687 20 0 BCADLP CN(CC[NH+](C)C)C(=O)NCc1cn(C)c[nH+]1 ZINC000898626162 584147735 /nfs/dbraw/zinc/14/77/35/584147735.db2.gz BGHSUZJVBANBJC-UHFFFAOYSA-N 2 2 239.323 0.123 20 0 BCADLP CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000899222984 584183971 /nfs/dbraw/zinc/18/39/71/584183971.db2.gz BYWOVHXEQLONJM-HBNTYKKESA-N 2 2 248.330 0.724 20 0 BCADLP CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000899222984 584183975 /nfs/dbraw/zinc/18/39/75/584183975.db2.gz BYWOVHXEQLONJM-HBNTYKKESA-N 2 2 248.330 0.724 20 0 BCADLP CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000899222984 584183977 /nfs/dbraw/zinc/18/39/77/584183977.db2.gz BYWOVHXEQLONJM-HBNTYKKESA-N 2 2 248.330 0.724 20 0 BCADLP CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000899222984 584183979 /nfs/dbraw/zinc/18/39/79/584183979.db2.gz BYWOVHXEQLONJM-HBNTYKKESA-N 2 2 248.330 0.724 20 0 BCADLP C[C@H](C[C@H]1CCOC1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000858546933 588964120 /nfs/dbraw/zinc/96/41/20/588964120.db2.gz BMMFJBGOTMOIPP-JHJVBQTASA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H](C[C@H]1CCOC1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000858546933 588964122 /nfs/dbraw/zinc/96/41/22/588964122.db2.gz BMMFJBGOTMOIPP-JHJVBQTASA-N 2 2 242.363 0.458 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC1([NH3+])CC1 ZINC000899245594 584187333 /nfs/dbraw/zinc/18/73/33/584187333.db2.gz SGQHIKQJZMLSMX-SECBINFHSA-N 2 2 237.307 0.062 20 0 BCADLP C[C@@H](NC(=[NH2+])NCCn1cc[nH+]c1)C1CC1 ZINC000899263867 584188572 /nfs/dbraw/zinc/18/85/72/584188572.db2.gz SLBATFYUQIBIDM-SECBINFHSA-N 2 2 221.308 0.796 20 0 BCADLP Cn1c[nH+]c(/C=C\c2nc(C3([NH3+])CC3)no2)c1 ZINC000900017669 584267018 /nfs/dbraw/zinc/26/70/18/584267018.db2.gz PXMWFQOZBIAYNR-IHWYPQMZSA-N 2 2 231.259 0.921 20 0 BCADLP O=C(CNc1cccc[nH+]1)NCCn1cc[nH+]c1 ZINC000900193215 584284924 /nfs/dbraw/zinc/28/49/24/584284924.db2.gz DMIOYGUUBJINNZ-UHFFFAOYSA-N 2 2 245.286 0.506 20 0 BCADLP CC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900588685 584329116 /nfs/dbraw/zinc/32/91/16/584329116.db2.gz GESPZLLNOXTDHQ-SNVBAGLBSA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900588685 584329117 /nfs/dbraw/zinc/32/91/17/584329117.db2.gz GESPZLLNOXTDHQ-SNVBAGLBSA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900588685 584329118 /nfs/dbraw/zinc/32/91/18/584329118.db2.gz GESPZLLNOXTDHQ-SNVBAGLBSA-N 2 2 236.319 0.553 20 0 BCADLP O=C(Cc1c[nH+]c[nH]1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000900627110 584333829 /nfs/dbraw/zinc/33/38/29/584333829.db2.gz LZPZIITWFWSPIZ-LLVKDONJSA-N 2 2 248.330 0.553 20 0 BCADLP O=C(Cc1c[nH+]c[nH]1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000900627110 584333830 /nfs/dbraw/zinc/33/38/30/584333830.db2.gz LZPZIITWFWSPIZ-LLVKDONJSA-N 2 2 248.330 0.553 20 0 BCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000900627110 584333831 /nfs/dbraw/zinc/33/38/31/584333831.db2.gz LZPZIITWFWSPIZ-LLVKDONJSA-N 2 2 248.330 0.553 20 0 BCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000900627110 584333832 /nfs/dbraw/zinc/33/38/32/584333832.db2.gz LZPZIITWFWSPIZ-LLVKDONJSA-N 2 2 248.330 0.553 20 0 BCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1C[NH+]2CCC1CC2 ZINC000900659819 584337081 /nfs/dbraw/zinc/33/70/81/584337081.db2.gz AGSNGJJUVGXZTQ-LBPRGKRZSA-N 2 2 248.330 0.505 20 0 BCADLP Cc1cc(NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)cc[nH+]1 ZINC000900673987 584340339 /nfs/dbraw/zinc/34/03/39/584340339.db2.gz VHZHEPYMMZAOCD-AAEUAGOBSA-N 2 2 249.314 0.206 20 0 BCADLP Cc1cc(NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)cc[nH+]1 ZINC000900673987 584340341 /nfs/dbraw/zinc/34/03/41/584340341.db2.gz VHZHEPYMMZAOCD-AAEUAGOBSA-N 2 2 249.314 0.206 20 0 BCADLP C[C@H]1CC[N@H+](CCNC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900913390 584365775 /nfs/dbraw/zinc/36/57/75/584365775.db2.gz TZZGUOKXXVWEKV-JTQLQIEISA-N 2 2 236.319 0.410 20 0 BCADLP C[C@H]1CC[N@@H+](CCNC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900913390 584365777 /nfs/dbraw/zinc/36/57/77/584365777.db2.gz TZZGUOKXXVWEKV-JTQLQIEISA-N 2 2 236.319 0.410 20 0 BCADLP C[C@H]1CC[N@H+](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900913390 584365778 /nfs/dbraw/zinc/36/57/78/584365778.db2.gz TZZGUOKXXVWEKV-JTQLQIEISA-N 2 2 236.319 0.410 20 0 BCADLP C[C@H]1CC[N@@H+](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900913390 584365780 /nfs/dbraw/zinc/36/57/80/584365780.db2.gz TZZGUOKXXVWEKV-JTQLQIEISA-N 2 2 236.319 0.410 20 0 BCADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902407826 584574793 /nfs/dbraw/zinc/57/47/93/584574793.db2.gz VMUYPWTWQCYOCS-SECBINFHSA-N 3 2 234.347 0.991 20 0 BCADLP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000902407824 584574923 /nfs/dbraw/zinc/57/49/23/584574923.db2.gz VMSQUTPSMOZBRS-SDDRHHMPSA-N 3 2 223.364 0.988 20 0 BCADLP Cn1ncc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)n1 ZINC000902384311 584577637 /nfs/dbraw/zinc/57/76/37/584577637.db2.gz INEILAXCEHXYSK-SNVBAGLBSA-N 2 2 237.351 0.683 20 0 BCADLP Cn1ncc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)n1 ZINC000902384310 584577847 /nfs/dbraw/zinc/57/78/47/584577847.db2.gz INEILAXCEHXYSK-JTQLQIEISA-N 2 2 237.351 0.683 20 0 BCADLP C[C@@H]1C[C@@H](NCC2([NH3+])CC2)c2[nH+]ccn21 ZINC000902404223 584588899 /nfs/dbraw/zinc/58/88/99/584588899.db2.gz CXHZWXJNGPKFSW-RKDXNWHRSA-N 2 2 206.293 0.970 20 0 BCADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902446125 584592209 /nfs/dbraw/zinc/59/22/09/584592209.db2.gz SAFILNXOPGDNNW-UTUOFQBUSA-N 3 2 225.380 0.962 20 0 BCADLP C[C@H](Cc1cnccn1)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902443257 584598231 /nfs/dbraw/zinc/59/82/31/584598231.db2.gz KWSCTGVNHULJHT-PWSUYJOCSA-N 2 2 234.347 0.995 20 0 BCADLP CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CC1([NH3+])CC1 ZINC000902413298 584599514 /nfs/dbraw/zinc/59/95/14/584599514.db2.gz JQKMXLOFQFDCLV-ZJUUUORDSA-N 2 2 246.376 0.423 20 0 BCADLP Cn1ccnc1[C@@H]([NH2+]CC1([NH3+])CC1)C1CC1 ZINC000902414583 584600499 /nfs/dbraw/zinc/60/04/99/584600499.db2.gz XVUFKPFYIMQIIK-JTQLQIEISA-N 2 2 220.320 0.952 20 0 BCADLP C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1[nH+]ccn1C ZINC000902476254 584602433 /nfs/dbraw/zinc/60/24/33/584602433.db2.gz OENSLGYZEAKBQH-CHWFTXMASA-N 2 2 220.320 0.964 20 0 BCADLP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902449753 584605957 /nfs/dbraw/zinc/60/59/57/584605957.db2.gz PUWJFGFFRCAPRJ-OPRDCNLKSA-N 2 2 200.326 0.997 20 0 BCADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902460595 584611380 /nfs/dbraw/zinc/61/13/80/584611380.db2.gz HLCMVSWISFISSM-JZRPKSSGSA-N 3 2 223.364 0.986 20 0 BCADLP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461256 584611674 /nfs/dbraw/zinc/61/16/74/584611674.db2.gz NFKNZTYZHMWRSZ-YBXAARCKSA-N 3 2 209.337 0.596 20 0 BCADLP C[C@@H](Cc1cnccn1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902464060 584612688 /nfs/dbraw/zinc/61/26/88/584612688.db2.gz CHPTXADMLIFCOK-YRRQLQLVSA-N 2 2 232.331 0.890 20 0 BCADLP c1cn2c([nH+]1)[C@H](N[C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)CC2 ZINC000902466846 584615012 /nfs/dbraw/zinc/61/50/12/584615012.db2.gz NRXHYLHHNRBSAP-LMLFDSFASA-N 2 2 218.304 0.810 20 0 BCADLP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1csc(N)n1 ZINC000902499227 584619947 /nfs/dbraw/zinc/61/99/47/584619947.db2.gz IMNHZIHLMKVNBQ-BQBZGAKWSA-N 2 2 214.338 0.941 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000902522793 584632189 /nfs/dbraw/zinc/63/21/89/584632189.db2.gz YEQHYAZGRDJZAD-XEZLXBQYSA-N 2 2 224.348 0.999 20 0 BCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000902522792 584632199 /nfs/dbraw/zinc/63/21/99/584632199.db2.gz YEQHYAZGRDJZAD-LPTSXCQYSA-N 2 2 224.348 0.999 20 0 BCADLP CCn1cnc(C[NH2+]CCc2cn(C)c[nH+]2)c1 ZINC000902595640 584635678 /nfs/dbraw/zinc/63/56/78/584635678.db2.gz VFUDAODROLVAMZ-UHFFFAOYSA-N 2 2 233.319 0.969 20 0 BCADLP c1cn(CC[NH2+][C@@H]2CCO[C@@]23CCOC3)c[nH+]1 ZINC000903057647 584722389 /nfs/dbraw/zinc/72/23/89/584722389.db2.gz JXGFQNVJZKJXBT-VXGBXAGGSA-N 2 2 237.303 0.421 20 0 BCADLP C(C[NH+]1CCCC1)[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903059237 584722865 /nfs/dbraw/zinc/72/28/65/584722865.db2.gz XOYLMRDMOVRAAM-CHWSQXEVSA-N 2 2 240.347 0.620 20 0 BCADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000903129357 584730041 /nfs/dbraw/zinc/73/00/41/584730041.db2.gz UFPRKXXNBBGGSG-WYUUTHIRSA-N 2 2 240.347 0.868 20 0 BCADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000903129357 584730042 /nfs/dbraw/zinc/73/00/42/584730042.db2.gz UFPRKXXNBBGGSG-WYUUTHIRSA-N 2 2 240.347 0.868 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000903300100 584743526 /nfs/dbraw/zinc/74/35/26/584743526.db2.gz GDHBYFLLRDDIIH-VSSNEEPJSA-N 2 2 240.347 0.866 20 0 BCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000903300100 584743527 /nfs/dbraw/zinc/74/35/27/584743527.db2.gz GDHBYFLLRDDIIH-VSSNEEPJSA-N 2 2 240.347 0.866 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000903300661 584743667 /nfs/dbraw/zinc/74/36/67/584743667.db2.gz KNLKLGBZOUAQPU-GMTAPVOTSA-N 2 2 223.324 0.349 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000903300661 584743669 /nfs/dbraw/zinc/74/36/69/584743669.db2.gz KNLKLGBZOUAQPU-GMTAPVOTSA-N 2 2 223.324 0.349 20 0 BCADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)C(C)(C)O ZINC000903390798 584757981 /nfs/dbraw/zinc/75/79/81/584757981.db2.gz JXZKGSBHDDUVDC-GUBZILKMSA-N 2 2 200.326 0.686 20 0 BCADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)C(C)(C)O ZINC000903390798 584757982 /nfs/dbraw/zinc/75/79/82/584757982.db2.gz JXZKGSBHDDUVDC-GUBZILKMSA-N 2 2 200.326 0.686 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000903426875 584760959 /nfs/dbraw/zinc/76/09/59/584760959.db2.gz RJANRGABXLRGOY-JFGNBEQYSA-N 3 2 211.353 0.559 20 0 BCADLP C[N@H+](C[C@H]1CCC[NH2+]1)C1CCC([NH3+])CC1 ZINC000903425256 584761087 /nfs/dbraw/zinc/76/10/87/584761087.db2.gz YRPOFJZMWRGSRZ-MOENNCHZSA-N 3 2 211.353 0.940 20 0 BCADLP C[N@@H+](C[C@H]1CCC[NH2+]1)C1CCC([NH3+])CC1 ZINC000903425256 584761089 /nfs/dbraw/zinc/76/10/89/584761089.db2.gz YRPOFJZMWRGSRZ-MOENNCHZSA-N 3 2 211.353 0.940 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000903438700 584762848 /nfs/dbraw/zinc/76/28/48/584762848.db2.gz ZMDZHEWRXLCUNX-MNOVXSKESA-N 2 2 237.347 0.149 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000903438700 584762849 /nfs/dbraw/zinc/76/28/49/584762849.db2.gz ZMDZHEWRXLCUNX-MNOVXSKESA-N 2 2 237.347 0.149 20 0 BCADLP c1cn([C@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]3)C2)nn1 ZINC000903460040 584766811 /nfs/dbraw/zinc/76/68/11/584766811.db2.gz VEONNPBIRWOGEZ-NEPJUHHUSA-N 2 2 235.335 0.667 20 0 BCADLP c1cn([C@H]2CCC[N@H+](C[C@H]3CCC[NH2+]3)C2)nn1 ZINC000903460040 584766812 /nfs/dbraw/zinc/76/68/12/584766812.db2.gz VEONNPBIRWOGEZ-NEPJUHHUSA-N 2 2 235.335 0.667 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000903454578 584773457 /nfs/dbraw/zinc/77/34/57/584773457.db2.gz CRVKRANRVGFGSQ-KVSVUVNWSA-N 3 2 225.380 0.818 20 0 BCADLP O=C(C[NH2+][C@@H]1CC[NH2+]C12CCC2)N1CCCC1 ZINC000903470510 584774512 /nfs/dbraw/zinc/77/45/12/584774512.db2.gz MPOMKNFBTLEKQS-LLVKDONJSA-N 2 2 237.347 0.483 20 0 BCADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C(=O)N(C)C ZINC000903471758 584775406 /nfs/dbraw/zinc/77/54/06/584775406.db2.gz MAAKYPSFADHCJV-NXEZZACHSA-N 2 2 225.336 0.337 20 0 BCADLP CN1CC[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1=O ZINC000903472895 584775947 /nfs/dbraw/zinc/77/59/47/584775947.db2.gz WPTWCIKLUHSVNL-UWVGGRQHSA-N 2 2 223.320 0.091 20 0 BCADLP O=C1OCCN1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903472229 584776171 /nfs/dbraw/zinc/77/61/71/584776171.db2.gz YCKFWVIHEWUMPY-SNVBAGLBSA-N 2 2 239.319 0.313 20 0 BCADLP CCOC(=O)CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903472584 584776419 /nfs/dbraw/zinc/77/64/19/584776419.db2.gz SNQMQNOKJAPUNW-SNVBAGLBSA-N 2 2 226.320 0.814 20 0 BCADLP C[NH2+]CCOCC[N@H+](C)[C@@H](C)c1ncccn1 ZINC000903474940 584776949 /nfs/dbraw/zinc/77/69/49/584776949.db2.gz VRNHMTGITGCXIT-NSHDSACASA-N 2 2 238.335 0.705 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1ncccn1 ZINC000903474940 584776951 /nfs/dbraw/zinc/77/69/51/584776951.db2.gz VRNHMTGITGCXIT-NSHDSACASA-N 2 2 238.335 0.705 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000903482584 584778863 /nfs/dbraw/zinc/77/88/63/584778863.db2.gz LVCUGZKCTDSUPZ-RCWTZXSCSA-N 3 2 211.353 0.557 20 0 BCADLP CCCNC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903464783 584779269 /nfs/dbraw/zinc/77/92/69/584779269.db2.gz BOBIMVYANHEOPH-SNVBAGLBSA-N 2 2 225.336 0.387 20 0 BCADLP C[C@@]1(C2CC[NH+](CC[NH3+])CC2)COC(=O)N1 ZINC000903564017 584782041 /nfs/dbraw/zinc/78/20/41/584782041.db2.gz NURZBHCFTDDGEF-NSHDSACASA-N 2 2 227.308 0.156 20 0 BCADLP C[C@@H](CN1CCOCC1)[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903558123 584783025 /nfs/dbraw/zinc/78/30/25/584783025.db2.gz VPHJNJHPSBBCFX-NWDGAFQWSA-N 2 2 241.379 0.376 20 0 BCADLP C[C@@H](CN1CCOCC1)[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903558123 584783026 /nfs/dbraw/zinc/78/30/26/584783026.db2.gz VPHJNJHPSBBCFX-NWDGAFQWSA-N 2 2 241.379 0.376 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H]1C[NH2+]C ZINC000903717537 584792274 /nfs/dbraw/zinc/79/22/74/584792274.db2.gz RGMQACZIDPCHAM-QJPTWQEYSA-N 2 2 240.347 0.869 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]1C[NH2+]C ZINC000903717537 584792275 /nfs/dbraw/zinc/79/22/75/584792275.db2.gz RGMQACZIDPCHAM-QJPTWQEYSA-N 2 2 240.347 0.869 20 0 BCADLP Cc1cn(C)nc1C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000903717539 584792510 /nfs/dbraw/zinc/79/25/10/584792510.db2.gz RIXMNJMVJGNEFH-GFCCVEGCSA-N 2 2 222.336 0.946 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000903713287 584793442 /nfs/dbraw/zinc/79/34/42/584793442.db2.gz LKRIRLSTGVZDTJ-HBNTYKKESA-N 2 2 226.320 0.609 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000903713287 584793443 /nfs/dbraw/zinc/79/34/43/584793443.db2.gz LKRIRLSTGVZDTJ-HBNTYKKESA-N 2 2 226.320 0.609 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCC[NH2+]CC1 ZINC000903713213 584793457 /nfs/dbraw/zinc/79/34/57/584793457.db2.gz IOMVORZKKBYMLS-WDEREUQCSA-N 2 2 226.320 0.481 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCC[NH2+]CC1 ZINC000903713213 584793458 /nfs/dbraw/zinc/79/34/58/584793458.db2.gz IOMVORZKKBYMLS-WDEREUQCSA-N 2 2 226.320 0.481 20 0 BCADLP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[NH2+]CC1 ZINC000903713210 584793856 /nfs/dbraw/zinc/79/38/56/584793856.db2.gz IMXNPPGGQFQLOX-OLZOCXBDSA-N 3 2 239.363 0.050 20 0 BCADLP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[NH2+]CC1 ZINC000903713210 584793857 /nfs/dbraw/zinc/79/38/57/584793857.db2.gz IMXNPPGGQFQLOX-OLZOCXBDSA-N 3 2 239.363 0.050 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903751626 584795290 /nfs/dbraw/zinc/79/52/90/584795290.db2.gz HVTQIZGUGNREIA-TUAOUCFPSA-N 3 2 211.353 0.798 20 0 BCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903751626 584795292 /nfs/dbraw/zinc/79/52/92/584795292.db2.gz HVTQIZGUGNREIA-TUAOUCFPSA-N 3 2 211.353 0.798 20 0 BCADLP Cn1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)nn1 ZINC000903751667 584795691 /nfs/dbraw/zinc/79/56/91/584795691.db2.gz LMBBDINNAXZPGY-AAEUAGOBSA-N 2 2 249.362 0.779 20 0 BCADLP Cn1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)nn1 ZINC000903751667 584795692 /nfs/dbraw/zinc/79/56/92/584795692.db2.gz LMBBDINNAXZPGY-AAEUAGOBSA-N 2 2 249.362 0.779 20 0 BCADLP COCC(COC)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000903751311 584795810 /nfs/dbraw/zinc/79/58/10/584795810.db2.gz CRQAZGLFZPJEKM-JFGNBEQYSA-N 2 2 230.352 0.624 20 0 BCADLP C[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)C[C@H]1[NH3+] ZINC000903753033 584796257 /nfs/dbraw/zinc/79/62/57/584796257.db2.gz YMHGCYOKHHPTKS-GRYCIOLGSA-N 3 2 211.353 0.655 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)C[C@H]1[NH3+] ZINC000903753033 584796258 /nfs/dbraw/zinc/79/62/58/584796258.db2.gz YMHGCYOKHHPTKS-GRYCIOLGSA-N 3 2 211.353 0.655 20 0 BCADLP C[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)CC(C)(C)[NH3+] ZINC000903766879 584797509 /nfs/dbraw/zinc/79/75/09/584797509.db2.gz CLTDXQSJLCSQDT-AAEUAGOBSA-N 3 2 241.379 0.424 20 0 BCADLP C[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)CC(C)(C)[NH3+] ZINC000903766879 584797511 /nfs/dbraw/zinc/79/75/11/584797511.db2.gz CLTDXQSJLCSQDT-AAEUAGOBSA-N 3 2 241.379 0.424 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000903778230 584799723 /nfs/dbraw/zinc/79/97/23/584799723.db2.gz LGSVTUVLNWBPKL-UKKRHICBSA-N 2 2 226.320 0.607 20 0 BCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000903778230 584799724 /nfs/dbraw/zinc/79/97/24/584799724.db2.gz LGSVTUVLNWBPKL-UKKRHICBSA-N 2 2 226.320 0.607 20 0 BCADLP [NH3+][C@H]1CCC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903786459 584800105 /nfs/dbraw/zinc/80/01/05/584800105.db2.gz JDJRVSMBLBLIFC-XQQFMLRXSA-N 3 2 239.363 0.178 20 0 BCADLP [NH3+][C@H]1CCC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903786459 584800107 /nfs/dbraw/zinc/80/01/07/584800107.db2.gz JDJRVSMBLBLIFC-XQQFMLRXSA-N 3 2 239.363 0.178 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000903782329 584800131 /nfs/dbraw/zinc/80/01/31/584800131.db2.gz KWYOQXTULVXLES-IJLUTSLNSA-N 3 2 241.379 0.159 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903799231 584801582 /nfs/dbraw/zinc/80/15/82/584801582.db2.gz CNFOCWPNAJZVSC-PWSUYJOCSA-N 2 2 225.336 0.278 20 0 BCADLP CN(C)C(=O)C[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903799231 584801583 /nfs/dbraw/zinc/80/15/83/584801583.db2.gz CNFOCWPNAJZVSC-PWSUYJOCSA-N 2 2 225.336 0.278 20 0 BCADLP C[NH2+]CCC[N@@H+]1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC000903823199 584804733 /nfs/dbraw/zinc/80/47/33/584804733.db2.gz CXUPETRFRHORSG-STQMWFEESA-N 2 2 242.363 0.866 20 0 BCADLP C[NH2+]CCC[N@H+]1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC000903823199 584804734 /nfs/dbraw/zinc/80/47/34/584804734.db2.gz CXUPETRFRHORSG-STQMWFEESA-N 2 2 242.363 0.866 20 0 BCADLP [NH3+]CC[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000903831308 584805519 /nfs/dbraw/zinc/80/55/19/584805519.db2.gz HQYUJPBZYDSRLW-SECBINFHSA-N 2 2 211.334 0.966 20 0 BCADLP [NH3+]CC[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000903831308 584805520 /nfs/dbraw/zinc/80/55/20/584805520.db2.gz HQYUJPBZYDSRLW-SECBINFHSA-N 2 2 211.334 0.966 20 0 BCADLP C[C@@H]1CC=CC[C@H]1[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000903849509 584807843 /nfs/dbraw/zinc/80/78/43/584807843.db2.gz CGOMSWQTVSVJFU-IJLUTSLNSA-N 2 2 210.321 0.919 20 0 BCADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2C[C@H]1CC[NH2+]C1 ZINC000903849626 584808195 /nfs/dbraw/zinc/80/81/95/584808195.db2.gz FKRSICZGZZERTK-SDDRHHMPSA-N 3 2 209.337 0.409 20 0 BCADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2C[C@H]1CC[NH2+]C1 ZINC000903849626 584808196 /nfs/dbraw/zinc/80/81/96/584808196.db2.gz FKRSICZGZZERTK-SDDRHHMPSA-N 3 2 209.337 0.409 20 0 BCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@H]1CC[NH2+]C1 ZINC000903849625 584808219 /nfs/dbraw/zinc/80/82/19/584808219.db2.gz FKRSICZGZZERTK-QJPTWQEYSA-N 3 2 209.337 0.409 20 0 BCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@H]1CC[NH2+]C1 ZINC000903849625 584808220 /nfs/dbraw/zinc/80/82/20/584808220.db2.gz FKRSICZGZZERTK-QJPTWQEYSA-N 3 2 209.337 0.409 20 0 BCADLP CN(C(=O)C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+])C1CC1 ZINC000903853530 584808396 /nfs/dbraw/zinc/80/83/96/584808396.db2.gz FQLXBRVMMTXGNE-GWCFXTLKSA-N 2 2 237.347 0.420 20 0 BCADLP CN(C(=O)C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+])C1CC1 ZINC000903853530 584808397 /nfs/dbraw/zinc/80/83/97/584808397.db2.gz FQLXBRVMMTXGNE-GWCFXTLKSA-N 2 2 237.347 0.420 20 0 BCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903856071 584808886 /nfs/dbraw/zinc/80/88/86/584808886.db2.gz QFMFCMBBMSARMP-JQWIXIFHSA-N 2 2 225.336 0.324 20 0 BCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903856071 584808888 /nfs/dbraw/zinc/80/88/88/584808888.db2.gz QFMFCMBBMSARMP-JQWIXIFHSA-N 2 2 225.336 0.324 20 0 BCADLP Cn1nccc1C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903861138 584812022 /nfs/dbraw/zinc/81/20/22/584812022.db2.gz VMTTYECVFYDOHF-CMPLNLGQSA-N 2 2 220.320 0.733 20 0 BCADLP Cn1nccc1C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903861138 584812023 /nfs/dbraw/zinc/81/20/23/584812023.db2.gz VMTTYECVFYDOHF-CMPLNLGQSA-N 2 2 220.320 0.733 20 0 BCADLP CCOCCOCC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903864712 584813071 /nfs/dbraw/zinc/81/30/71/584813071.db2.gz VZKZRNFIILGTTO-CHWSQXEVSA-N 2 2 242.363 0.853 20 0 BCADLP CCOCCOCC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903864712 584813072 /nfs/dbraw/zinc/81/30/72/584813072.db2.gz VZKZRNFIILGTTO-CHWSQXEVSA-N 2 2 242.363 0.853 20 0 BCADLP C(C[N@@H+]1CCC[C@]12CC[NH2+]C2)O[C@H]1CCOC1 ZINC000903869126 584813551 /nfs/dbraw/zinc/81/35/51/584813551.db2.gz BOZVWYAAOHJFEH-QWHCGFSZSA-N 2 2 240.347 0.620 20 0 BCADLP C(C[N@H+]1CCC[C@]12CC[NH2+]C2)O[C@H]1CCOC1 ZINC000903869126 584813553 /nfs/dbraw/zinc/81/35/53/584813553.db2.gz BOZVWYAAOHJFEH-QWHCGFSZSA-N 2 2 240.347 0.620 20 0 BCADLP C[N@H+](C[C@@H]([NH3+])CC(F)F)[C@H]1CCCCNC1=O ZINC000903889416 584814162 /nfs/dbraw/zinc/81/41/62/584814162.db2.gz RTWFHPDSAQJPEO-IUCAKERBSA-N 2 2 249.305 0.569 20 0 BCADLP C[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@H]1CCCCNC1=O ZINC000903889416 584814164 /nfs/dbraw/zinc/81/41/64/584814164.db2.gz RTWFHPDSAQJPEO-IUCAKERBSA-N 2 2 249.305 0.569 20 0 BCADLP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000903884431 584818891 /nfs/dbraw/zinc/81/88/91/584818891.db2.gz ZPQJJOKEIHKEPZ-HRDYMLBCSA-N 2 2 249.305 0.555 20 0 BCADLP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000903884431 584818892 /nfs/dbraw/zinc/81/88/92/584818892.db2.gz ZPQJJOKEIHKEPZ-HRDYMLBCSA-N 2 2 249.305 0.555 20 0 BCADLP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000903884432 584818960 /nfs/dbraw/zinc/81/89/60/584818960.db2.gz ZPQJJOKEIHKEPZ-IWSPIJDZSA-N 2 2 249.305 0.555 20 0 BCADLP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000903884432 584818961 /nfs/dbraw/zinc/81/89/61/584818961.db2.gz ZPQJJOKEIHKEPZ-IWSPIJDZSA-N 2 2 249.305 0.555 20 0 BCADLP NC(=O)C[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903898824 584820580 /nfs/dbraw/zinc/82/05/80/584820580.db2.gz QFAMPDGKANIMRG-IUCAKERBSA-N 2 2 249.305 0.556 20 0 BCADLP NC(=O)C[C@@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903898824 584820581 /nfs/dbraw/zinc/82/05/81/584820581.db2.gz QFAMPDGKANIMRG-IUCAKERBSA-N 2 2 249.305 0.556 20 0 BCADLP C[C@@H]1C[C@H](O)C[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000903913100 584822308 /nfs/dbraw/zinc/82/23/08/584822308.db2.gz LYKWEYSLLHQYRX-PRJMDXOYSA-N 2 2 208.252 0.424 20 0 BCADLP C[C@@H]1C[C@H](O)C[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000903913100 584822309 /nfs/dbraw/zinc/82/23/09/584822309.db2.gz LYKWEYSLLHQYRX-PRJMDXOYSA-N 2 2 208.252 0.424 20 0 BCADLP C[N@H+](C[C@H]([NH3+])CC(F)F)C[C@H]1COCCO1 ZINC000903933039 584825226 /nfs/dbraw/zinc/82/52/26/584825226.db2.gz KEHKEIRNKFNBJV-BDAKNGLRSA-N 2 2 238.278 0.316 20 0 BCADLP C[N@@H+](C[C@H]([NH3+])CC(F)F)C[C@H]1COCCO1 ZINC000903933039 584825227 /nfs/dbraw/zinc/82/52/27/584825227.db2.gz KEHKEIRNKFNBJV-BDAKNGLRSA-N 2 2 238.278 0.316 20 0 BCADLP CC(C)C[C@H](C[NH3+])[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903918094 584827300 /nfs/dbraw/zinc/82/73/00/584827300.db2.gz RRUTWNVLBKVINR-DTWKUNHWSA-N 3 2 223.311 0.932 20 0 BCADLP COC[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@H]1CCCOC1 ZINC000903959509 584827521 /nfs/dbraw/zinc/82/75/21/584827521.db2.gz JDYSCKREDGFTAI-AVGNSLFASA-N 2 2 242.363 0.770 20 0 BCADLP Nc1cc[nH+]c(C[NH2+]CC2CC[NH2+]CC2)c1 ZINC000903950853 584830823 /nfs/dbraw/zinc/83/08/23/584830823.db2.gz SDCWEHNRDPVYFJ-UHFFFAOYSA-N 3 2 220.320 0.753 20 0 BCADLP C[NH+]1CCC([NH2+]C[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903956700 584832048 /nfs/dbraw/zinc/83/20/48/584832048.db2.gz NBWOCHVITATVEL-SNVBAGLBSA-N 3 2 247.333 0.915 20 0 BCADLP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000903955875 584832237 /nfs/dbraw/zinc/83/22/37/584832237.db2.gz BOEGUWGUZBLTKJ-WDEREUQCSA-N 3 2 247.333 0.963 20 0 BCADLP C[C@@H]1C[N@H+](CC23CC(C2)C[NH2+]3)C[C@H]1CC[NH3+] ZINC000903977766 584833178 /nfs/dbraw/zinc/83/31/78/584833178.db2.gz ANFHHPPGQPVMSR-CQLXCSJHSA-N 3 2 223.364 0.655 20 0 BCADLP C[C@@H]1C[N@@H+](CC23CC(C2)C[NH2+]3)C[C@H]1CC[NH3+] ZINC000903977766 584833180 /nfs/dbraw/zinc/83/31/80/584833180.db2.gz ANFHHPPGQPVMSR-CQLXCSJHSA-N 3 2 223.364 0.655 20 0 BCADLP CCn1ccnc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903964256 584834103 /nfs/dbraw/zinc/83/41/03/584834103.db2.gz GPAUQBGZZFIQBS-MNOVXSKESA-N 2 2 222.336 0.848 20 0 BCADLP Cc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)nn1C ZINC000903968029 584834941 /nfs/dbraw/zinc/83/49/41/584834941.db2.gz PTEJTUFXXKDRSC-KOLCDFICSA-N 2 2 222.336 0.674 20 0 BCADLP CC[N@H+](CC[NH2+]C(C)(C)C)CCC(N)=O ZINC000903988000 584836051 /nfs/dbraw/zinc/83/60/51/584836051.db2.gz MJAMHGDHICIZOJ-UHFFFAOYSA-N 2 2 215.341 0.572 20 0 BCADLP CC[N@@H+](CC[NH2+]C(C)(C)C)CCC(N)=O ZINC000903988000 584836052 /nfs/dbraw/zinc/83/60/52/584836052.db2.gz MJAMHGDHICIZOJ-UHFFFAOYSA-N 2 2 215.341 0.572 20 0 BCADLP C[C@@H]1C[N@H+](Cc2ccc(N)nn2)CC[C@H]1[NH3+] ZINC000904299318 584860282 /nfs/dbraw/zinc/86/02/82/584860282.db2.gz BEOZACHANBJFGS-PSASIEDQSA-N 2 2 221.308 0.228 20 0 BCADLP C[C@@H]1C[N@@H+](Cc2ccc(N)nn2)CC[C@H]1[NH3+] ZINC000904299318 584860284 /nfs/dbraw/zinc/86/02/84/584860284.db2.gz BEOZACHANBJFGS-PSASIEDQSA-N 2 2 221.308 0.228 20 0 BCADLP C[N@H+](Cc1ccc(C[NH3+])cc1)[C@@H]1CC[NH2+]C1 ZINC000904299749 584860798 /nfs/dbraw/zinc/86/07/98/584860798.db2.gz NJWYTLSHLJACKM-CYBMUJFWSA-N 3 2 219.332 0.939 20 0 BCADLP C[N@@H+](Cc1ccc(C[NH3+])cc1)[C@@H]1CC[NH2+]C1 ZINC000904299749 584860800 /nfs/dbraw/zinc/86/08/00/584860800.db2.gz NJWYTLSHLJACKM-CYBMUJFWSA-N 3 2 219.332 0.939 20 0 BCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(N)nn1 ZINC000904301069 584861496 /nfs/dbraw/zinc/86/14/96/584861496.db2.gz FRZIOJSMUCYKRX-LLVKDONJSA-N 2 2 237.351 0.864 20 0 BCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(N)nn1 ZINC000904301069 584861497 /nfs/dbraw/zinc/86/14/97/584861497.db2.gz FRZIOJSMUCYKRX-LLVKDONJSA-N 2 2 237.351 0.864 20 0 BCADLP CN(C)C(=O)C[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904304316 584862237 /nfs/dbraw/zinc/86/22/37/584862237.db2.gz YQNQPOUMFKSODW-GFCCVEGCSA-N 2 2 227.352 0.396 20 0 BCADLP CN(C)C(=O)C[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904304316 584862240 /nfs/dbraw/zinc/86/22/40/584862240.db2.gz YQNQPOUMFKSODW-GFCCVEGCSA-N 2 2 227.352 0.396 20 0 BCADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(N)nn2)CC[N@@H+]1C ZINC000904322882 584864849 /nfs/dbraw/zinc/86/48/49/584864849.db2.gz JMURPEBGKBGLOD-PWSUYJOCSA-N 2 2 249.362 0.973 20 0 BCADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(N)nn2)CC[N@H+]1C ZINC000904322882 584864850 /nfs/dbraw/zinc/86/48/50/584864850.db2.gz JMURPEBGKBGLOD-PWSUYJOCSA-N 2 2 249.362 0.973 20 0 BCADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N)nn2)CC[NH+]1C ZINC000904322882 584864851 /nfs/dbraw/zinc/86/48/51/584864851.db2.gz JMURPEBGKBGLOD-PWSUYJOCSA-N 2 2 249.362 0.973 20 0 BCADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N)nn2)CC[NH+]1C ZINC000904322882 584864852 /nfs/dbraw/zinc/86/48/52/584864852.db2.gz JMURPEBGKBGLOD-PWSUYJOCSA-N 2 2 249.362 0.973 20 0 BCADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(N)nn2)CC1 ZINC000904340114 584866761 /nfs/dbraw/zinc/86/67/61/584866761.db2.gz CXXSYRSRFVIJSS-GFCCVEGCSA-N 2 2 249.362 0.975 20 0 BCADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(N)nn2)CC1 ZINC000904340114 584866763 /nfs/dbraw/zinc/86/67/63/584866763.db2.gz CXXSYRSRFVIJSS-GFCCVEGCSA-N 2 2 249.362 0.975 20 0 BCADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(N)nn1 ZINC000904350657 584869055 /nfs/dbraw/zinc/86/90/55/584869055.db2.gz OJGVFYRBLQSGMX-SECBINFHSA-N 2 2 209.297 0.132 20 0 BCADLP Nc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)nn1 ZINC000904350302 584869134 /nfs/dbraw/zinc/86/91/34/584869134.db2.gz KLXMXGABZPEBCX-ONGXEEELSA-N 2 2 233.319 0.243 20 0 BCADLP Nc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)nn1 ZINC000904350302 584869135 /nfs/dbraw/zinc/86/91/35/584869135.db2.gz KLXMXGABZPEBCX-ONGXEEELSA-N 2 2 233.319 0.243 20 0 BCADLP C[C@@]1(C[NH2+]C[C@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000904353770 584870133 /nfs/dbraw/zinc/87/01/33/584870133.db2.gz QVYIEPBSVXGZDD-VXGBXAGGSA-N 3 2 211.353 0.718 20 0 BCADLP Nc1ccc(C[NH2+]CCC[NH2+]C2CC2)nn1 ZINC000904359029 584871631 /nfs/dbraw/zinc/87/16/31/584871631.db2.gz WJWWNCXPCCWMEK-UHFFFAOYSA-N 2 2 221.308 0.291 20 0 BCADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(N)nn1 ZINC000904359025 584871790 /nfs/dbraw/zinc/87/17/90/584871790.db2.gz WDTUYUZQIXJLDD-VIFPVBQESA-N 2 2 223.324 0.522 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1NCc1[nH+]ccn1C1CC1 ZINC000904389476 584875510 /nfs/dbraw/zinc/87/55/10/584875510.db2.gz ZEHRZGHJARAVTD-MWLCHTKSSA-N 2 2 220.320 0.916 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(N)nn1 ZINC000904376416 584876144 /nfs/dbraw/zinc/87/61/44/584876144.db2.gz RPNQNMDGABADMR-DTWKUNHWSA-N 2 2 221.308 0.370 20 0 BCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(N)nn1 ZINC000904376416 584876145 /nfs/dbraw/zinc/87/61/45/584876145.db2.gz RPNQNMDGABADMR-DTWKUNHWSA-N 2 2 221.308 0.370 20 0 BCADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000904381739 584877161 /nfs/dbraw/zinc/87/71/61/584877161.db2.gz STQUZKRXSMDVSH-SNVBAGLBSA-N 3 2 207.321 0.924 20 0 BCADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000904381739 584877162 /nfs/dbraw/zinc/87/71/62/584877162.db2.gz STQUZKRXSMDVSH-SNVBAGLBSA-N 3 2 207.321 0.924 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccc(N)nn1)C2 ZINC000904385095 584877211 /nfs/dbraw/zinc/87/72/11/584877211.db2.gz SDDAHVISGRCAIX-JOYOIKCWSA-N 2 2 233.319 0.100 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccc(N)nn1)C2 ZINC000904385095 584877212 /nfs/dbraw/zinc/87/72/12/584877212.db2.gz SDDAHVISGRCAIX-JOYOIKCWSA-N 2 2 233.319 0.100 20 0 BCADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904388136 584877624 /nfs/dbraw/zinc/87/76/24/584877624.db2.gz DPUUIGUMXCGZPC-ZWNOBZJWSA-N 3 2 219.332 0.843 20 0 BCADLP [NH3+][C@]1(CO)CCC[N@H+](CC2=CCCOC2)C1 ZINC000904406251 584878648 /nfs/dbraw/zinc/87/86/48/584878648.db2.gz DAFIEMLKXONBDR-GFCCVEGCSA-N 2 2 226.320 0.119 20 0 BCADLP [NH3+][C@]1(CO)CCC[N@@H+](CC2=CCCOC2)C1 ZINC000904406251 584878649 /nfs/dbraw/zinc/87/86/49/584878649.db2.gz DAFIEMLKXONBDR-GFCCVEGCSA-N 2 2 226.320 0.119 20 0 BCADLP Cc1ccc(CCC[NH2+][C@@H]2CNOC2)c[nH+]1 ZINC000904424398 584881170 /nfs/dbraw/zinc/88/11/70/584881170.db2.gz RTVXIMPNRPIHCQ-GFCCVEGCSA-N 2 2 221.304 0.816 20 0 BCADLP c1cn(-c2ccc(C[NH2+][C@H]3CNOC3)cc2)c[nH+]1 ZINC000904426641 584881726 /nfs/dbraw/zinc/88/17/26/584881726.db2.gz DHYUSRVUXPHPLS-LBPRGKRZSA-N 2 2 244.298 0.865 20 0 BCADLP c1cn(-c2ccc(C[NH2+][C@@H]3CNOC3)cc2)c[nH+]1 ZINC000904420671 584882019 /nfs/dbraw/zinc/88/20/19/584882019.db2.gz DHYUSRVUXPHPLS-GFCCVEGCSA-N 2 2 244.298 0.865 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420718 584882260 /nfs/dbraw/zinc/88/22/60/584882260.db2.gz UTLCQWPHUPZABW-XQQFMLRXSA-N 3 2 225.380 0.901 20 0 BCADLP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420718 584882261 /nfs/dbraw/zinc/88/22/61/584882261.db2.gz UTLCQWPHUPZABW-XQQFMLRXSA-N 3 2 225.380 0.901 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876753489 584886929 /nfs/dbraw/zinc/88/69/29/584886929.db2.gz LKCDOMOIXYPBNH-MWLCHTKSSA-N 2 2 237.278 0.698 20 0 BCADLP Cc1c[nH+]ccc1NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876753492 584886938 /nfs/dbraw/zinc/88/69/38/584886938.db2.gz LKCDOMOIXYPBNH-ONGXEEELSA-N 2 2 237.278 0.698 20 0 BCADLP Cn1ncc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000842474284 584897892 /nfs/dbraw/zinc/89/78/92/584897892.db2.gz MDKSRCBFHMVAKO-YPMHNXCESA-N 2 2 249.362 0.779 20 0 BCADLP Cn1ncc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000842474284 584897893 /nfs/dbraw/zinc/89/78/93/584897893.db2.gz MDKSRCBFHMVAKO-YPMHNXCESA-N 2 2 249.362 0.779 20 0 BCADLP CC[NH2+]CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000884023757 584899098 /nfs/dbraw/zinc/89/90/98/584899098.db2.gz WKNXUDLLBVCCEM-UHFFFAOYSA-N 2 2 238.335 0.652 20 0 BCADLP CC[NH+](CC)CCC[N@H+](C)[C@@H](C)C(N)=O ZINC000731846172 584929520 /nfs/dbraw/zinc/92/95/20/584929520.db2.gz AFUCPDXGFMKZKK-JTQLQIEISA-N 2 2 215.341 0.524 20 0 BCADLP CC[NH+](CC)CCC[N@@H+](C)[C@@H](C)C(N)=O ZINC000731846172 584929521 /nfs/dbraw/zinc/92/95/21/584929521.db2.gz AFUCPDXGFMKZKK-JTQLQIEISA-N 2 2 215.341 0.524 20 0 BCADLP CC(C)c1nc(NC[C@H](O)C[NH+](C)C)cc[nH+]1 ZINC000731920408 584931525 /nfs/dbraw/zinc/93/15/25/584931525.db2.gz HJSUJDKUZISWMK-JTQLQIEISA-N 2 2 238.335 0.934 20 0 BCADLP C[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000738227707 585042097 /nfs/dbraw/zinc/04/20/97/585042097.db2.gz OLURWBURPRZMEO-VXGBXAGGSA-N 2 2 239.363 0.696 20 0 BCADLP C[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000738227707 585042098 /nfs/dbraw/zinc/04/20/98/585042098.db2.gz OLURWBURPRZMEO-VXGBXAGGSA-N 2 2 239.363 0.696 20 0 BCADLP C[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000738227701 585042183 /nfs/dbraw/zinc/04/21/83/585042183.db2.gz OLURWBURPRZMEO-NEPJUHHUSA-N 2 2 239.363 0.696 20 0 BCADLP C[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000738227701 585042184 /nfs/dbraw/zinc/04/21/84/585042184.db2.gz OLURWBURPRZMEO-NEPJUHHUSA-N 2 2 239.363 0.696 20 0 BCADLP CCn1ncc(C[NH2+]C[C@@H]2CC[N@H+](CC)C2)n1 ZINC000838904764 585077358 /nfs/dbraw/zinc/07/73/58/585077358.db2.gz SCGVRTUDTOVIHM-NSHDSACASA-N 2 2 237.351 0.729 20 0 BCADLP CCn1ncc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)n1 ZINC000838904764 585077359 /nfs/dbraw/zinc/07/73/59/585077359.db2.gz SCGVRTUDTOVIHM-NSHDSACASA-N 2 2 237.351 0.729 20 0 BCADLP CC(C)[C@H](C[NH+](C)C)NC(=O)Cn1cc[nH+]c1 ZINC000746260322 585166531 /nfs/dbraw/zinc/16/65/31/585166531.db2.gz UZDRUFJYFXRCOZ-NSHDSACASA-N 2 2 238.335 0.586 20 0 BCADLP Cn1c[nH+]cc1CO[NH+]=C(N)C1CCOCC1 ZINC000753118959 585253856 /nfs/dbraw/zinc/25/38/56/585253856.db2.gz OHHKHOXUSMTAAS-UHFFFAOYSA-N 2 2 238.291 0.845 20 0 BCADLP Cn1c[nH+]c(CCNC(=[NH2+])NCC2CC2)c1 ZINC000887362012 585497874 /nfs/dbraw/zinc/49/78/74/585497874.db2.gz SSLWHQVTJIHVDS-UHFFFAOYSA-N 2 2 221.308 0.487 20 0 BCADLP C[C@@H](C[NH2+]C1CCN(C=O)CC1)[N@H+](C)C1CC1 ZINC000774160838 585652348 /nfs/dbraw/zinc/65/23/48/585652348.db2.gz CCBWINZANANOBF-NSHDSACASA-N 2 2 239.363 0.680 20 0 BCADLP C[C@@H](C[NH2+]C1CCN(C=O)CC1)[N@@H+](C)C1CC1 ZINC000774160838 585652349 /nfs/dbraw/zinc/65/23/49/585652349.db2.gz CCBWINZANANOBF-NSHDSACASA-N 2 2 239.363 0.680 20 0 BCADLP O=C1C[N@H+](CCCn2cc[nH+]c2)CCCN1 ZINC000775965069 585688526 /nfs/dbraw/zinc/68/85/26/585688526.db2.gz WFNYJGFHYMWQGE-UHFFFAOYSA-N 2 2 222.292 0.095 20 0 BCADLP O=C1C[N@@H+](CCCn2cc[nH+]c2)CCCN1 ZINC000775965069 585688527 /nfs/dbraw/zinc/68/85/27/585688527.db2.gz WFNYJGFHYMWQGE-UHFFFAOYSA-N 2 2 222.292 0.095 20 0 BCADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3cnnc3)CC[C@H]21 ZINC000776764451 585703906 /nfs/dbraw/zinc/70/39/06/585703906.db2.gz OYMSCGBJWLKABW-VXGBXAGGSA-N 2 2 235.335 0.652 20 0 BCADLP C[N@H+]1CCC[C@@H]2C[NH+](Cn3cnnc3)CC[C@H]21 ZINC000776764451 585703907 /nfs/dbraw/zinc/70/39/07/585703907.db2.gz OYMSCGBJWLKABW-VXGBXAGGSA-N 2 2 235.335 0.652 20 0 BCADLP C[NH+]1CCC[C@@H]2C[N@H+](Cn3cnnc3)CC[C@H]21 ZINC000776764451 585703908 /nfs/dbraw/zinc/70/39/08/585703908.db2.gz OYMSCGBJWLKABW-VXGBXAGGSA-N 2 2 235.335 0.652 20 0 BCADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3cnnc3)CC[C@H]21 ZINC000776764451 585703909 /nfs/dbraw/zinc/70/39/09/585703909.db2.gz OYMSCGBJWLKABW-VXGBXAGGSA-N 2 2 235.335 0.652 20 0 BCADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cn2cnnc2)C1 ZINC000776759781 585704633 /nfs/dbraw/zinc/70/46/33/585704633.db2.gz FLWCGEQJWSJUGD-CYBMUJFWSA-N 2 2 249.362 0.899 20 0 BCADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cn2cnnc2)C1 ZINC000776759781 585704634 /nfs/dbraw/zinc/70/46/34/585704634.db2.gz FLWCGEQJWSJUGD-CYBMUJFWSA-N 2 2 249.362 0.899 20 0 BCADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cn2cnnc2)C1 ZINC000776759781 585704635 /nfs/dbraw/zinc/70/46/35/585704635.db2.gz FLWCGEQJWSJUGD-CYBMUJFWSA-N 2 2 249.362 0.899 20 0 BCADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cn2cnnc2)C1 ZINC000776759781 585704636 /nfs/dbraw/zinc/70/46/36/585704636.db2.gz FLWCGEQJWSJUGD-CYBMUJFWSA-N 2 2 249.362 0.899 20 0 BCADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cn2cnnc2)C1 ZINC000776759782 585704818 /nfs/dbraw/zinc/70/48/18/585704818.db2.gz FLWCGEQJWSJUGD-ZDUSSCGKSA-N 2 2 249.362 0.899 20 0 BCADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cn2cnnc2)C1 ZINC000776759782 585704819 /nfs/dbraw/zinc/70/48/19/585704819.db2.gz FLWCGEQJWSJUGD-ZDUSSCGKSA-N 2 2 249.362 0.899 20 0 BCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cn2cnnc2)C1 ZINC000776759782 585704820 /nfs/dbraw/zinc/70/48/20/585704820.db2.gz FLWCGEQJWSJUGD-ZDUSSCGKSA-N 2 2 249.362 0.899 20 0 BCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cn2cnnc2)C1 ZINC000776759782 585704821 /nfs/dbraw/zinc/70/48/21/585704821.db2.gz FLWCGEQJWSJUGD-ZDUSSCGKSA-N 2 2 249.362 0.899 20 0 BCADLP C[N@@H+]1CCC[C@H]2C[NH+](Cn3cnnc3)CC[C@H]21 ZINC000776764449 585705313 /nfs/dbraw/zinc/70/53/13/585705313.db2.gz OYMSCGBJWLKABW-NWDGAFQWSA-N 2 2 235.335 0.652 20 0 BCADLP C[N@H+]1CCC[C@H]2C[NH+](Cn3cnnc3)CC[C@H]21 ZINC000776764449 585705314 /nfs/dbraw/zinc/70/53/14/585705314.db2.gz OYMSCGBJWLKABW-NWDGAFQWSA-N 2 2 235.335 0.652 20 0 BCADLP C[NH+]1CCC[C@H]2C[N@H+](Cn3cnnc3)CC[C@H]21 ZINC000776764449 585705315 /nfs/dbraw/zinc/70/53/15/585705315.db2.gz OYMSCGBJWLKABW-NWDGAFQWSA-N 2 2 235.335 0.652 20 0 BCADLP C[NH+]1CCC[C@H]2C[N@@H+](Cn3cnnc3)CC[C@H]21 ZINC000776764449 585705316 /nfs/dbraw/zinc/70/53/16/585705316.db2.gz OYMSCGBJWLKABW-NWDGAFQWSA-N 2 2 235.335 0.652 20 0 BCADLP c1cn([C@H]2CCC[N@@H+](CC3OCCO3)C2)c[nH+]1 ZINC000777575766 585715558 /nfs/dbraw/zinc/71/55/58/585715558.db2.gz JEBCSMHTDQRDEJ-NSHDSACASA-N 2 2 237.303 0.893 20 0 BCADLP c1cn([C@H]2CCC[N@H+](CC3OCCO3)C2)c[nH+]1 ZINC000777575766 585715559 /nfs/dbraw/zinc/71/55/59/585715559.db2.gz JEBCSMHTDQRDEJ-NSHDSACASA-N 2 2 237.303 0.893 20 0 BCADLP C(C1OCCO1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000777589799 585716328 /nfs/dbraw/zinc/71/63/28/585716328.db2.gz UMHCXSPSJUMQIP-GFCCVEGCSA-N 2 2 240.347 0.777 20 0 BCADLP C(C1OCCO1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000777589799 585716329 /nfs/dbraw/zinc/71/63/29/585716329.db2.gz UMHCXSPSJUMQIP-GFCCVEGCSA-N 2 2 240.347 0.777 20 0 BCADLP CC[NH+]1CCC([N@H+](C)CC2OCCO2)CC1 ZINC000777593983 585716558 /nfs/dbraw/zinc/71/65/58/585716558.db2.gz CIWBAPGFRRWRFQ-UHFFFAOYSA-N 2 2 228.336 0.775 20 0 BCADLP CC[NH+]1CCC([N@@H+](C)CC2OCCO2)CC1 ZINC000777593983 585716559 /nfs/dbraw/zinc/71/65/59/585716559.db2.gz CIWBAPGFRRWRFQ-UHFFFAOYSA-N 2 2 228.336 0.775 20 0 BCADLP COC1CC[NH+](CC[NH2+][C@H](C)CCO)CC1 ZINC000779401096 585753451 /nfs/dbraw/zinc/75/34/51/585753451.db2.gz YBUQSUNOYCPIMW-LLVKDONJSA-N 2 2 230.352 0.458 20 0 BCADLP C[C@H](CCO)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000779402432 585753591 /nfs/dbraw/zinc/75/35/91/585753591.db2.gz LFTFUQKIGTXONQ-GHMZBOCLSA-N 2 2 232.393 0.784 20 0 BCADLP C[C@H]1CN(C)C(=O)C[N@@H+]1CCn1cc[nH+]c1 ZINC000782587225 585821116 /nfs/dbraw/zinc/82/11/16/585821116.db2.gz WWHNHKWZQKHEGP-JTQLQIEISA-N 2 2 222.292 0.046 20 0 BCADLP C[C@H]1CN(C)C(=O)C[N@H+]1CCn1cc[nH+]c1 ZINC000782587225 585821117 /nfs/dbraw/zinc/82/11/17/585821117.db2.gz WWHNHKWZQKHEGP-JTQLQIEISA-N 2 2 222.292 0.046 20 0 BCADLP COC(C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)OC ZINC000787993099 585918455 /nfs/dbraw/zinc/91/84/55/585918455.db2.gz VEDRQFOWNNAVMK-SNVBAGLBSA-N 2 2 239.319 0.828 20 0 BCADLP Cc1cc([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)n(C)n1 ZINC000793526789 586021670 /nfs/dbraw/zinc/02/16/70/586021670.db2.gz OCTZXFBDCQHRMW-QWRGUYRKSA-N 2 2 240.351 0.302 20 0 BCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CN3CCCC3=O)C2)C1 ZINC000793770906 586026232 /nfs/dbraw/zinc/02/62/32/586026232.db2.gz ZHBGUKHWLXTCCJ-CYBMUJFWSA-N 2 2 237.347 0.594 20 0 BCADLP C[N@H+]1CC[C@@]2(CC[NH+](CN3CCCC3=O)C2)C1 ZINC000793770906 586026233 /nfs/dbraw/zinc/02/62/33/586026233.db2.gz ZHBGUKHWLXTCCJ-CYBMUJFWSA-N 2 2 237.347 0.594 20 0 BCADLP C[NH+]1CC[C@@]2(CC[N@H+](CN3CCCC3=O)C2)C1 ZINC000793770906 586026234 /nfs/dbraw/zinc/02/62/34/586026234.db2.gz ZHBGUKHWLXTCCJ-CYBMUJFWSA-N 2 2 237.347 0.594 20 0 BCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CN3CCCC3=O)C2)C1 ZINC000793770906 586026235 /nfs/dbraw/zinc/02/62/35/586026235.db2.gz ZHBGUKHWLXTCCJ-CYBMUJFWSA-N 2 2 237.347 0.594 20 0 BCADLP OCC[C@H]([NH2+]Cc1c[nH+]c[nH]1)C1CCOCC1 ZINC000796457777 586104074 /nfs/dbraw/zinc/10/40/74/586104074.db2.gz ZYXSUDXDLIUUNY-LBPRGKRZSA-N 2 2 239.319 0.677 20 0 BCADLP C[NH+]1CCC2(CCN2C(=O)Cn2cc[nH+]c2)CC1 ZINC000812518448 586578451 /nfs/dbraw/zinc/57/84/51/586578451.db2.gz DSCYOJMWKYFSAJ-UHFFFAOYSA-N 2 2 248.330 0.580 20 0 BCADLP Cn1ncc(C[N@@H+]2CCCC23CC[NH+](C)CC3)n1 ZINC000816583092 586742045 /nfs/dbraw/zinc/74/20/45/586742045.db2.gz BYRPAZCSYAUCEL-UHFFFAOYSA-N 2 2 249.362 0.875 20 0 BCADLP Cn1ncc(C[N@H+]2CCCC23CC[NH+](C)CC3)n1 ZINC000816583092 586742048 /nfs/dbraw/zinc/74/20/48/586742048.db2.gz BYRPAZCSYAUCEL-UHFFFAOYSA-N 2 2 249.362 0.875 20 0 BCADLP CC[C@H]([NH2+]CC1(C)OCCO1)[C@@H]1CCC[NH2+]1 ZINC000817916687 586840332 /nfs/dbraw/zinc/84/03/32/586840332.db2.gz JMTCYOCLSJKTEW-QWRGUYRKSA-N 2 2 228.336 0.870 20 0 BCADLP CC(C)S(=O)(=O)CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000817932580 586843000 /nfs/dbraw/zinc/84/30/00/586843000.db2.gz UDZKLJNLHGCXDE-MNOVXSKESA-N 2 2 248.392 0.397 20 0 BCADLP Cc1c[nH+]cn1CC(=O)OCCn1cc[nH+]c1C ZINC000859948132 589072561 /nfs/dbraw/zinc/07/25/61/589072561.db2.gz LCBWAOYTPCTDQX-UHFFFAOYSA-N 2 2 248.286 0.940 20 0 BCADLP CC[NH2+]CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000818605122 586905613 /nfs/dbraw/zinc/90/56/13/586905613.db2.gz RXKBGUJOUNWEDK-NSHDSACASA-N 2 2 248.330 0.386 20 0 BCADLP CCn1nc(C)c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])n1 ZINC000818615941 586907125 /nfs/dbraw/zinc/90/71/25/586907125.db2.gz RRLQCFMOYWEMMC-IUCAKERBSA-N 2 2 225.340 0.822 20 0 BCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)C1CC1 ZINC000818959766 586917936 /nfs/dbraw/zinc/91/79/36/586917936.db2.gz SPQPBDRCTHMJBA-GXSJLCMTSA-N 2 2 209.293 0.632 20 0 BCADLP CON(C)C(=O)CC[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000818959471 586918017 /nfs/dbraw/zinc/91/80/17/586918017.db2.gz LASFBAXDZQREHG-SNVBAGLBSA-N 2 2 240.307 0.271 20 0 BCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)C1CC1 ZINC000819018245 586924492 /nfs/dbraw/zinc/92/44/92/586924492.db2.gz RKPHFNUZCSFPDF-CHWSQXEVSA-N 2 2 242.363 0.458 20 0 BCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)C1CC1 ZINC000819018245 586924493 /nfs/dbraw/zinc/92/44/93/586924493.db2.gz RKPHFNUZCSFPDF-CHWSQXEVSA-N 2 2 242.363 0.458 20 0 BCADLP O[C@@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000819323324 586951360 /nfs/dbraw/zinc/95/13/60/586951360.db2.gz ZLEONSGIIXFJBB-SKDRFNHKSA-N 2 2 221.304 0.628 20 0 BCADLP O[C@@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000819323324 586951361 /nfs/dbraw/zinc/95/13/61/586951361.db2.gz ZLEONSGIIXFJBB-SKDRFNHKSA-N 2 2 221.304 0.628 20 0 BCADLP C[C@@H](C(=O)N1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000820295627 587041947 /nfs/dbraw/zinc/04/19/47/587041947.db2.gz MGPKINPEVCEHMA-UWVGGRQHSA-N 2 2 213.325 0.099 20 0 BCADLP C[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000820295627 587041949 /nfs/dbraw/zinc/04/19/49/587041949.db2.gz MGPKINPEVCEHMA-UWVGGRQHSA-N 2 2 213.325 0.099 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cnnn1C ZINC000820810561 587074491 /nfs/dbraw/zinc/07/44/91/587074491.db2.gz ZGQDMIZZSQRFAT-MNOVXSKESA-N 2 2 237.351 0.808 20 0 BCADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cnnn1C ZINC000820810561 587074492 /nfs/dbraw/zinc/07/44/92/587074492.db2.gz ZGQDMIZZSQRFAT-MNOVXSKESA-N 2 2 237.351 0.808 20 0 BCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860164207 589084646 /nfs/dbraw/zinc/08/46/46/589084646.db2.gz FIOHTYHDTGVOAO-GHMZBOCLSA-N 2 2 235.287 0.296 20 0 BCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860164207 589084647 /nfs/dbraw/zinc/08/46/47/589084647.db2.gz FIOHTYHDTGVOAO-GHMZBOCLSA-N 2 2 235.287 0.296 20 0 BCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC000821522280 587125344 /nfs/dbraw/zinc/12/53/44/587125344.db2.gz YLTNQXXQIHVYJR-QMMMGPOBSA-N 2 2 210.281 0.019 20 0 BCADLP O=C(C[NH+]1CCCC1)N1CCc2[nH+]c[nH]c2C1 ZINC000823006073 587197550 /nfs/dbraw/zinc/19/75/50/587197550.db2.gz MOPVTRDNWLIXPP-UHFFFAOYSA-N 2 2 234.303 0.390 20 0 BCADLP CC(C)[N@@H+](C)Cc1nc(N2CC[NH2+]CC2)no1 ZINC000823334374 587216711 /nfs/dbraw/zinc/21/67/11/587216711.db2.gz DNOJKWNRJCTOAD-UHFFFAOYSA-N 2 2 239.323 0.319 20 0 BCADLP Cn1c[nH+]c(CCNC(=O)C[NH+]2CCCC2)c1 ZINC000823510246 587228665 /nfs/dbraw/zinc/22/86/65/587228665.db2.gz UQTLVESIRIHLHL-UHFFFAOYSA-N 2 2 236.319 0.175 20 0 BCADLP CCC[NH+]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000825939511 587346543 /nfs/dbraw/zinc/34/65/43/587346543.db2.gz BRMYYYJNGJRFGX-UHFFFAOYSA-N 2 2 236.319 0.506 20 0 BCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC[S@@](C)=O)CC[C@H]21 ZINC000828011878 587416564 /nfs/dbraw/zinc/41/65/64/587416564.db2.gz YUGFFEWJTFYTRH-XHBSWPGZSA-N 2 2 244.404 0.781 20 0 BCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC[S@@](C)=O)CC[C@H]21 ZINC000828011878 587416565 /nfs/dbraw/zinc/41/65/65/587416565.db2.gz YUGFFEWJTFYTRH-XHBSWPGZSA-N 2 2 244.404 0.781 20 0 BCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC[S@@](C)=O)CC[C@H]21 ZINC000828011878 587416567 /nfs/dbraw/zinc/41/65/67/587416567.db2.gz YUGFFEWJTFYTRH-XHBSWPGZSA-N 2 2 244.404 0.781 20 0 BCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC[S@@](C)=O)CC[C@H]21 ZINC000828011878 587416569 /nfs/dbraw/zinc/41/65/69/587416569.db2.gz YUGFFEWJTFYTRH-XHBSWPGZSA-N 2 2 244.404 0.781 20 0 BCADLP C[C@H]1CN(C(=O)C2([NH+](C)C)CC2)CC[N@@H+]1C ZINC000828773891 587461490 /nfs/dbraw/zinc/46/14/90/587461490.db2.gz KBJLVHBOZQEGLW-JTQLQIEISA-N 2 2 225.336 0.243 20 0 BCADLP C[C@H]1CN(C(=O)C2([NH+](C)C)CC2)CC[N@H+]1C ZINC000828773891 587461491 /nfs/dbraw/zinc/46/14/91/587461491.db2.gz KBJLVHBOZQEGLW-JTQLQIEISA-N 2 2 225.336 0.243 20 0 BCADLP [NH3+][C@H](CC(=O)Nc1cc[nH+]cc1O)C1CC1 ZINC000828974446 587476833 /nfs/dbraw/zinc/47/68/33/587476833.db2.gz UNXVRGFBLUBXEF-MRVPVSSYSA-N 2 2 221.260 0.275 20 0 BCADLP CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000829940635 587529154 /nfs/dbraw/zinc/52/91/54/587529154.db2.gz PLRFBHGHPPNYDV-NXEZZACHSA-N 2 2 236.319 0.409 20 0 BCADLP CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000829940635 587529156 /nfs/dbraw/zinc/52/91/56/587529156.db2.gz PLRFBHGHPPNYDV-NXEZZACHSA-N 2 2 236.319 0.409 20 0 BCADLP CC(C)[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1COC1 ZINC000830217313 587541496 /nfs/dbraw/zinc/54/14/96/587541496.db2.gz HFDRIIGPVMAFAE-ZDUSSCGKSA-N 2 2 242.363 0.552 20 0 BCADLP CC(C)[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1COC1 ZINC000830217313 587541498 /nfs/dbraw/zinc/54/14/98/587541498.db2.gz HFDRIIGPVMAFAE-ZDUSSCGKSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@]1(NC(=O)N[C@H]2CCn3cc[nH+]c32)CC[NH2+]C1 ZINC000831092127 587585608 /nfs/dbraw/zinc/58/56/08/587585608.db2.gz IXDOBJGOWVRELS-CABZTGNLSA-N 2 2 249.318 0.379 20 0 BCADLP C[NH2+]CCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000832139571 587646004 /nfs/dbraw/zinc/64/60/04/587646004.db2.gz AWEHGXTYTVHBRE-SECBINFHSA-N 2 2 222.292 0.683 20 0 BCADLP C[C@H]([NH3+])CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000832140164 587646030 /nfs/dbraw/zinc/64/60/30/587646030.db2.gz LCMZHFCXJPSIIU-IUCAKERBSA-N 2 2 222.292 0.811 20 0 BCADLP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000832139782 587646204 /nfs/dbraw/zinc/64/62/04/587646204.db2.gz DXPZFJRPLMYEIZ-UWVGGRQHSA-N 2 2 236.319 0.929 20 0 BCADLP CC(C)[NH+]1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000832486745 587663335 /nfs/dbraw/zinc/66/33/35/587663335.db2.gz ZGYCRPBHUUPHIS-UHFFFAOYSA-N 2 2 222.292 0.161 20 0 BCADLP C[C@H](CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000834299741 587750809 /nfs/dbraw/zinc/75/08/09/587750809.db2.gz ZAOYZWQSYTYCLX-ZYHUDNBSSA-N 2 2 239.363 0.524 20 0 BCADLP C[C@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000834299741 587750810 /nfs/dbraw/zinc/75/08/10/587750810.db2.gz ZAOYZWQSYTYCLX-ZYHUDNBSSA-N 2 2 239.363 0.524 20 0 BCADLP [NH3+]CCc1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000841035294 587936943 /nfs/dbraw/zinc/93/69/43/587936943.db2.gz ZNGQNDCGYKNQFH-CYBMUJFWSA-N 3 2 219.332 0.639 20 0 BCADLP [NH3+]CC[N@H+](CCO)Cc1cccc2cnccc21 ZINC000841058494 587940934 /nfs/dbraw/zinc/94/09/34/587940934.db2.gz HVKNQJQZKQQPLI-UHFFFAOYSA-N 2 2 245.326 0.988 20 0 BCADLP [NH3+]CC[N@@H+](CCO)Cc1cccc2cnccc21 ZINC000841058494 587940936 /nfs/dbraw/zinc/94/09/36/587940936.db2.gz HVKNQJQZKQQPLI-UHFFFAOYSA-N 2 2 245.326 0.988 20 0 BCADLP Cc1cc(C[N@H+](C)C[C@H](O)C[NH3+])cnc1Cl ZINC000841091725 587946406 /nfs/dbraw/zinc/94/64/06/587946406.db2.gz DVCWVPOOZLRULD-SNVBAGLBSA-N 2 2 243.738 0.795 20 0 BCADLP Cc1cc(C[N@@H+](C)C[C@H](O)C[NH3+])cnc1Cl ZINC000841091725 587946407 /nfs/dbraw/zinc/94/64/07/587946407.db2.gz DVCWVPOOZLRULD-SNVBAGLBSA-N 2 2 243.738 0.795 20 0 BCADLP CCS(=O)(=O)CC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000842476165 588029958 /nfs/dbraw/zinc/02/99/58/588029958.db2.gz IJHFKZADYUGDMJ-OUAUKWLOSA-N 2 2 248.392 0.397 20 0 BCADLP C([C@@H]1CCC[NH2+]1)[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000843067359 588078825 /nfs/dbraw/zinc/07/88/25/588078825.db2.gz YKQQYCBDJQIWCC-TUAOUCFPSA-N 2 2 242.388 0.945 20 0 BCADLP C([C@@H]1CCC[NH2+]1)[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000843067359 588078826 /nfs/dbraw/zinc/07/88/26/588078826.db2.gz YKQQYCBDJQIWCC-TUAOUCFPSA-N 2 2 242.388 0.945 20 0 BCADLP Cn1c[nH+]cc1Cc1noc(C[C@H]2CCC[NH2+]2)n1 ZINC000843200458 588093192 /nfs/dbraw/zinc/09/31/92/588093192.db2.gz OQFQKZLNVCKSIY-SECBINFHSA-N 2 2 247.302 0.688 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCCCC[NH3+] ZINC000843344031 588101320 /nfs/dbraw/zinc/10/13/20/588101320.db2.gz MQIXIQWDVLALHC-OLZOCXBDSA-N 3 2 243.395 0.862 20 0 BCADLP CCCOC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000843363108 588104187 /nfs/dbraw/zinc/10/41/87/588104187.db2.gz ZHYBLXLHIPDTAS-VWYCJHECSA-N 2 2 228.336 0.997 20 0 BCADLP CCCOC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000843363108 588104189 /nfs/dbraw/zinc/10/41/89/588104189.db2.gz ZHYBLXLHIPDTAS-VWYCJHECSA-N 2 2 228.336 0.997 20 0 BCADLP Cc1nc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)no1 ZINC000843364525 588104349 /nfs/dbraw/zinc/10/43/49/588104349.db2.gz GVROMISGZJMFDN-UHFFFAOYSA-N 2 2 236.319 0.954 20 0 BCADLP Cc1nc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)no1 ZINC000843364525 588104350 /nfs/dbraw/zinc/10/43/50/588104350.db2.gz GVROMISGZJMFDN-UHFFFAOYSA-N 2 2 236.319 0.954 20 0 BCADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000843495491 588115696 /nfs/dbraw/zinc/11/56/96/588115696.db2.gz STTMZSFVKYCATL-ZRUFSTJUSA-N 2 2 246.314 0.539 20 0 BCADLP CC[NH2+]CC(=O)NCc1cn2ccccc2[nH+]1 ZINC000844165698 588171510 /nfs/dbraw/zinc/17/15/10/588171510.db2.gz NKSYSFWQJKHSPM-UHFFFAOYSA-N 2 2 232.287 0.560 20 0 BCADLP CC[NH2+]CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000844174860 588171853 /nfs/dbraw/zinc/17/18/53/588171853.db2.gz CSFWQRGFUGJNTI-SNVBAGLBSA-N 2 2 224.308 0.245 20 0 BCADLP CC[NH2+]CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000844174532 588172363 /nfs/dbraw/zinc/17/23/63/588172363.db2.gz JFLQJPUEPSAXIZ-SNVBAGLBSA-N 2 2 236.319 0.725 20 0 BCADLP CCCN(C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000844226067 588174152 /nfs/dbraw/zinc/17/41/52/588174152.db2.gz BVGXSZJZJLCKMC-SNVBAGLBSA-N 2 2 228.340 0.023 20 0 BCADLP CCCN(C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000844226067 588174154 /nfs/dbraw/zinc/17/41/54/588174154.db2.gz BVGXSZJZJLCKMC-SNVBAGLBSA-N 2 2 228.340 0.023 20 0 BCADLP C[C@@H](CC(=O)NOCC[NH+](C)C)n1cc[nH+]c1 ZINC000846231311 588262091 /nfs/dbraw/zinc/26/20/91/588262091.db2.gz GPZYVLHQYQLYFX-JTQLQIEISA-N 2 2 240.307 0.444 20 0 BCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCC1CCC1 ZINC000846671256 588281733 /nfs/dbraw/zinc/28/17/33/588281733.db2.gz PPVNEFWPSUDWGS-NSHDSACASA-N 2 2 227.352 0.572 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@@H](O)C2CC2)C1 ZINC000846838279 588292077 /nfs/dbraw/zinc/29/20/77/588292077.db2.gz MZFVHHSNELSBKZ-NWDGAFQWSA-N 2 2 235.331 0.980 20 0 BCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@@H](O)C2CC2)C1 ZINC000846838279 588292078 /nfs/dbraw/zinc/29/20/78/588292078.db2.gz MZFVHHSNELSBKZ-NWDGAFQWSA-N 2 2 235.331 0.980 20 0 BCADLP C[NH+](C)CC1(NC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC000847116022 588306779 /nfs/dbraw/zinc/30/67/79/588306779.db2.gz URQVUICSUHBJIE-UHFFFAOYSA-N 2 2 236.319 0.553 20 0 BCADLP CC(C)[C@@H](CNC(=[NH2+])N(C)C)[NH+]1CCOCC1 ZINC000848983806 588425060 /nfs/dbraw/zinc/42/50/60/588425060.db2.gz IMJVFBTUKYEVLD-LLVKDONJSA-N 2 2 242.367 0.429 20 0 BCADLP CC[C@@H](C)NC(=[NH2+])NCC[N@H+](C)CCOC ZINC000849000600 588430807 /nfs/dbraw/zinc/43/08/07/588430807.db2.gz HTVSIHTWCWJQLK-SNVBAGLBSA-N 2 2 230.356 0.477 20 0 BCADLP CC[C@@H](C)NC(=[NH2+])NCC[N@@H+](C)CCOC ZINC000849000600 588430808 /nfs/dbraw/zinc/43/08/08/588430808.db2.gz HTVSIHTWCWJQLK-SNVBAGLBSA-N 2 2 230.356 0.477 20 0 BCADLP NC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000849013339 588435938 /nfs/dbraw/zinc/43/59/38/588435938.db2.gz GJLZHSSAKSWGLV-UHFFFAOYSA-N 2 2 215.260 0.855 20 0 BCADLP Cn1c[nH+]c(CCNC(=[NH2+])N2CCC2)c1 ZINC000849040010 588447070 /nfs/dbraw/zinc/44/70/70/588447070.db2.gz DWTCFEULWRKTBL-UHFFFAOYSA-N 2 2 207.281 0.193 20 0 BCADLP Cn1c[nH+]c(CCNC(=[NH2+])N2CCCCC2)c1 ZINC000849039999 588447162 /nfs/dbraw/zinc/44/71/62/588447162.db2.gz DAVDKKGLRGQGDP-UHFFFAOYSA-N 2 2 235.335 0.973 20 0 BCADLP CNC(=[NH2+])NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849049974 588451864 /nfs/dbraw/zinc/45/18/64/588451864.db2.gz XWTXGAHITSRJKP-BBBLOLIVSA-N 2 2 228.340 0.228 20 0 BCADLP CNC(=[NH2+])NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849049974 588451865 /nfs/dbraw/zinc/45/18/65/588451865.db2.gz XWTXGAHITSRJKP-BBBLOLIVSA-N 2 2 228.340 0.228 20 0 BCADLP Cc1[nH+]cc(C[NH2+][C@@H](CCO)C2CC2)n1C ZINC000850157855 588522082 /nfs/dbraw/zinc/52/20/82/588522082.db2.gz MVSRCDRJNSLVAX-LBPRGKRZSA-N 2 2 223.320 0.979 20 0 BCADLP COC(=O)N(C)CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000850390280 588543348 /nfs/dbraw/zinc/54/33/48/588543348.db2.gz TUFSQHKZMUQRSA-VHSXEESVSA-N 2 2 229.324 0.224 20 0 BCADLP COC(=O)N(C)CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000850390280 588543350 /nfs/dbraw/zinc/54/33/50/588543350.db2.gz TUFSQHKZMUQRSA-VHSXEESVSA-N 2 2 229.324 0.224 20 0 BCADLP COC(=O)N(C)CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000850390278 588543471 /nfs/dbraw/zinc/54/34/71/588543471.db2.gz TUFSQHKZMUQRSA-NXEZZACHSA-N 2 2 229.324 0.224 20 0 BCADLP COC(=O)N(C)CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000850390278 588543473 /nfs/dbraw/zinc/54/34/73/588543473.db2.gz TUFSQHKZMUQRSA-NXEZZACHSA-N 2 2 229.324 0.224 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000850440121 588546661 /nfs/dbraw/zinc/54/66/61/588546661.db2.gz WOIVUVRIMIYLCK-NEPJUHHUSA-N 2 2 237.351 0.741 20 0 BCADLP C[C@H](Cn1cncn1)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000850440121 588546662 /nfs/dbraw/zinc/54/66/62/588546662.db2.gz WOIVUVRIMIYLCK-NEPJUHHUSA-N 2 2 237.351 0.741 20 0 BCADLP C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000851660969 588613628 /nfs/dbraw/zinc/61/36/28/588613628.db2.gz CFNKXJMXZBUSAK-RKDXNWHRSA-N 2 2 237.307 0.235 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000851935598 588645985 /nfs/dbraw/zinc/64/59/85/588645985.db2.gz QHBSKRQPQRJRTC-PWSUYJOCSA-N 2 2 240.351 0.761 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000851935598 588645986 /nfs/dbraw/zinc/64/59/86/588645986.db2.gz QHBSKRQPQRJRTC-PWSUYJOCSA-N 2 2 240.351 0.761 20 0 BCADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC[S@@](C)=O)C2 ZINC000852104967 588663565 /nfs/dbraw/zinc/66/35/65/588663565.db2.gz HLJPSCIKVVBHAX-MLGOLLRUSA-N 2 2 244.404 0.783 20 0 BCADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC[S@@](C)=O)C2 ZINC000852104967 588663566 /nfs/dbraw/zinc/66/35/66/588663566.db2.gz HLJPSCIKVVBHAX-MLGOLLRUSA-N 2 2 244.404 0.783 20 0 BCADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC[S@@](C)=O)C2 ZINC000852104967 588663567 /nfs/dbraw/zinc/66/35/67/588663567.db2.gz HLJPSCIKVVBHAX-MLGOLLRUSA-N 2 2 244.404 0.783 20 0 BCADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC[S@@](C)=O)C2 ZINC000852104967 588663568 /nfs/dbraw/zinc/66/35/68/588663568.db2.gz HLJPSCIKVVBHAX-MLGOLLRUSA-N 2 2 244.404 0.783 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C[C@H](O)C[NH+]1CCCC1 ZINC000852283832 588675803 /nfs/dbraw/zinc/67/58/03/588675803.db2.gz CBBMSYBKIZWQTL-LBPRGKRZSA-N 2 2 238.335 0.298 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C[C@H](O)C[NH+]1CCCC1 ZINC000852283832 588675804 /nfs/dbraw/zinc/67/58/04/588675804.db2.gz CBBMSYBKIZWQTL-LBPRGKRZSA-N 2 2 238.335 0.298 20 0 BCADLP c1c[nH+]c([C@H]2CCCN2C[C@H]2C[NH2+]CCO2)[nH]1 ZINC000852750385 588699905 /nfs/dbraw/zinc/69/99/05/588699905.db2.gz STVGZYNMZVOPPE-GHMZBOCLSA-N 2 2 236.319 0.535 20 0 BCADLP CCCCCC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000852754734 588700626 /nfs/dbraw/zinc/70/06/26/588700626.db2.gz ZMRWXWUFNMOHJN-LLVKDONJSA-N 2 2 218.341 0.181 20 0 BCADLP CCCCCC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000852754734 588700627 /nfs/dbraw/zinc/70/06/27/588700627.db2.gz ZMRWXWUFNMOHJN-LLVKDONJSA-N 2 2 218.341 0.181 20 0 BCADLP COC(=O)NC1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000852762076 588700904 /nfs/dbraw/zinc/70/09/04/588700904.db2.gz XPZPPIYUYCGZOZ-QMMMGPOBSA-N 2 2 215.297 0.154 20 0 BCADLP CCC/C=C/C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000852797849 588703615 /nfs/dbraw/zinc/70/36/15/588703615.db2.gz CEZUZXLPBLOOFJ-QRGHLMKCSA-N 2 2 225.336 0.444 20 0 BCADLP CCC/C=C/C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000852797849 588703616 /nfs/dbraw/zinc/70/36/16/588703616.db2.gz CEZUZXLPBLOOFJ-QRGHLMKCSA-N 2 2 225.336 0.444 20 0 BCADLP C[C@@H]([NH2+]C1CC1)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000852836724 588707260 /nfs/dbraw/zinc/70/72/60/588707260.db2.gz HZZBLXGDLNCZQY-MRVPVSSYSA-N 2 2 222.292 0.509 20 0 BCADLP [NH3+]C1(CC(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000852890228 588711425 /nfs/dbraw/zinc/71/14/25/588711425.db2.gz WPRUUERZFYOSLR-VIFPVBQESA-N 2 2 234.303 0.955 20 0 BCADLP CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000863547383 589298693 /nfs/dbraw/zinc/29/86/93/589298693.db2.gz KDYFRNVJTBULAH-IVZWLZJFSA-N 2 2 229.324 0.125 20 0 BCADLP CCCOC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000863557489 589298872 /nfs/dbraw/zinc/29/88/72/589298872.db2.gz OIXUGSWKPWXHMV-JTQLQIEISA-N 2 2 232.324 0.235 20 0 BCADLP CCCOC(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000863557489 589298873 /nfs/dbraw/zinc/29/88/73/589298873.db2.gz OIXUGSWKPWXHMV-JTQLQIEISA-N 2 2 232.324 0.235 20 0 BCADLP CC[NH2+]Cc1noc(Cn2c[nH+]cc2C)n1 ZINC000863656271 589308181 /nfs/dbraw/zinc/30/81/81/589308181.db2.gz MJTSUWWEGXMKRZ-UHFFFAOYSA-N 2 2 221.264 0.732 20 0 BCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(N)=[NH2+] ZINC000864358371 589355439 /nfs/dbraw/zinc/35/54/39/589355439.db2.gz WMIPLFPRRNHDOA-JTQLQIEISA-N 2 2 204.277 0.656 20 0 BCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(N)=[NH2+] ZINC000864358371 589355440 /nfs/dbraw/zinc/35/54/40/589355440.db2.gz WMIPLFPRRNHDOA-JTQLQIEISA-N 2 2 204.277 0.656 20 0 BCADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]CC2(C)COC2)C1 ZINC000865660559 589454908 /nfs/dbraw/zinc/45/49/08/589454908.db2.gz VHOLERZHYBZNIO-NSHDSACASA-N 2 2 242.363 0.458 20 0 BCADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]CC2(C)COC2)C1 ZINC000865660559 589454909 /nfs/dbraw/zinc/45/49/09/589454909.db2.gz VHOLERZHYBZNIO-NSHDSACASA-N 2 2 242.363 0.458 20 0 BCADLP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000865659016 589455007 /nfs/dbraw/zinc/45/50/07/589455007.db2.gz CIUOCSJRJXFXEU-SRVKXCTJSA-N 2 2 242.363 0.599 20 0 BCADLP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000865659016 589455008 /nfs/dbraw/zinc/45/50/08/589455008.db2.gz CIUOCSJRJXFXEU-SRVKXCTJSA-N 2 2 242.363 0.599 20 0 BCADLP Cc1cccn2c(C[NH2+]C[C@H](O)[C@H](C)O)c[nH+]c12 ZINC000865738679 589459725 /nfs/dbraw/zinc/45/97/25/589459725.db2.gz JCSPCQWZGLPVKF-JQWIXIFHSA-N 2 2 249.314 0.474 20 0 BCADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H](O)[C@H](C)O)n2c1 ZINC000865739992 589460140 /nfs/dbraw/zinc/46/01/40/589460140.db2.gz YXEJGCUTZSPEDR-JQWIXIFHSA-N 2 2 249.314 0.474 20 0 BCADLP COCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866413634 589491074 /nfs/dbraw/zinc/49/10/74/589491074.db2.gz JWYIBVLOYAHPEB-RYUDHWBXSA-N 2 2 244.379 0.846 20 0 BCADLP COCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866413634 589491076 /nfs/dbraw/zinc/49/10/76/589491076.db2.gz JWYIBVLOYAHPEB-RYUDHWBXSA-N 2 2 244.379 0.846 20 0 BCADLP CO[C@@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866414788 589491530 /nfs/dbraw/zinc/49/15/30/589491530.db2.gz SYQONEFYDGTCMH-SRVKXCTJSA-N 2 2 244.379 0.845 20 0 BCADLP CO[C@@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866414788 589491531 /nfs/dbraw/zinc/49/15/31/589491531.db2.gz SYQONEFYDGTCMH-SRVKXCTJSA-N 2 2 244.379 0.845 20 0 BCADLP c1nc2n(n1)[C@H](C[N@@H+]1CC[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC000866666731 589509650 /nfs/dbraw/zinc/50/96/50/589509650.db2.gz VZOFSRPRUSNWBR-VWYCJHECSA-N 2 2 233.319 0.059 20 0 BCADLP c1nc2n(n1)[C@H](C[N@H+]1CC[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC000866666731 589509651 /nfs/dbraw/zinc/50/96/51/589509651.db2.gz VZOFSRPRUSNWBR-VWYCJHECSA-N 2 2 233.319 0.059 20 0 BCADLP c1nc2n(n1)[C@@H](C[N@@H+]1CC[C@]3(CCC[NH2+]3)C1)CC2 ZINC000866666846 589509662 /nfs/dbraw/zinc/50/96/62/589509662.db2.gz WMBBYYBWYQPTRG-DGCLKSJQSA-N 2 2 247.346 0.593 20 0 BCADLP c1nc2n(n1)[C@@H](C[N@H+]1CC[C@]3(CCC[NH2+]3)C1)CC2 ZINC000866666846 589509663 /nfs/dbraw/zinc/50/96/63/589509663.db2.gz WMBBYYBWYQPTRG-DGCLKSJQSA-N 2 2 247.346 0.593 20 0 BCADLP c1nc2n(n1)[C@H](C[N@@H+]1CC[C@]3(CCC[NH2+]3)C1)CC2 ZINC000866666847 589509917 /nfs/dbraw/zinc/50/99/17/589509917.db2.gz WMBBYYBWYQPTRG-WCQYABFASA-N 2 2 247.346 0.593 20 0 BCADLP c1nc2n(n1)[C@H](C[N@H+]1CC[C@]3(CCC[NH2+]3)C1)CC2 ZINC000866666847 589509919 /nfs/dbraw/zinc/50/99/19/589509919.db2.gz WMBBYYBWYQPTRG-WCQYABFASA-N 2 2 247.346 0.593 20 0 BCADLP C[C@@H](C[N@H+](CC[NH3+])C[C@@H](O)CO)CC(C)(C)C ZINC000866669063 589510212 /nfs/dbraw/zinc/51/02/12/589510212.db2.gz OJSKNGKCPKUQJP-VXGBXAGGSA-N 2 2 246.395 0.673 20 0 BCADLP C[C@@H](C[N@@H+](CC[NH3+])C[C@@H](O)CO)CC(C)(C)C ZINC000866669063 589510213 /nfs/dbraw/zinc/51/02/13/589510213.db2.gz OJSKNGKCPKUQJP-VXGBXAGGSA-N 2 2 246.395 0.673 20 0 BCADLP C[C@@H](C[N@H+](CC[NH3+])C[C@H](O)CO)CC(C)(C)C ZINC000866669060 589510286 /nfs/dbraw/zinc/51/02/86/589510286.db2.gz OJSKNGKCPKUQJP-NEPJUHHUSA-N 2 2 246.395 0.673 20 0 BCADLP C[C@@H](C[N@@H+](CC[NH3+])C[C@H](O)CO)CC(C)(C)C ZINC000866669060 589510288 /nfs/dbraw/zinc/51/02/88/589510288.db2.gz OJSKNGKCPKUQJP-NEPJUHHUSA-N 2 2 246.395 0.673 20 0 BCADLP CC1(C)C[C@@H](O)C[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000866702710 589513891 /nfs/dbraw/zinc/51/38/91/589513891.db2.gz FMNOEGYUODDUMG-MNOVXSKESA-N 2 2 228.336 0.068 20 0 BCADLP CC1(C)C[C@@H](O)C[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000866702710 589513893 /nfs/dbraw/zinc/51/38/93/589513893.db2.gz FMNOEGYUODDUMG-MNOVXSKESA-N 2 2 228.336 0.068 20 0 BCADLP Nc1cc(CN2CCC[C@@H]3[NH2+]CC[C@@H]32)cc[nH+]1 ZINC000866723834 589516003 /nfs/dbraw/zinc/51/60/03/589516003.db2.gz JCXDWDPRMALROX-RYUDHWBXSA-N 2 2 232.331 0.990 20 0 BCADLP Cn1c[nH+]cc1CN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866724833 589516010 /nfs/dbraw/zinc/51/60/10/589516010.db2.gz NEYOOXQCKAXWLS-VXGBXAGGSA-N 2 2 220.320 0.746 20 0 BCADLP Nc1cc(CN2CCC[C@H]3[NH2+]CC[C@@H]32)cc[nH+]1 ZINC000866723830 589516021 /nfs/dbraw/zinc/51/60/21/589516021.db2.gz JCXDWDPRMALROX-NEPJUHHUSA-N 2 2 232.331 0.990 20 0 BCADLP CN1CC[N@H+](C[C@@H]2CC[NH2+]C2)Cc2cccnc21 ZINC000866728108 589517018 /nfs/dbraw/zinc/51/70/18/589517018.db2.gz XBDPUDMGZGXQOK-GFCCVEGCSA-N 2 2 246.358 0.943 20 0 BCADLP CN1CC[N@@H+](C[C@@H]2CC[NH2+]C2)Cc2cccnc21 ZINC000866728108 589517019 /nfs/dbraw/zinc/51/70/19/589517019.db2.gz XBDPUDMGZGXQOK-GFCCVEGCSA-N 2 2 246.358 0.943 20 0 BCADLP C[NH2+]CC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000867999114 589542944 /nfs/dbraw/zinc/54/29/44/589542944.db2.gz RRFUGACODJVZLB-LBPRGKRZSA-N 2 2 233.315 0.509 20 0 BCADLP C[NH2+]CC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000867999114 589542946 /nfs/dbraw/zinc/54/29/46/589542946.db2.gz RRFUGACODJVZLB-LBPRGKRZSA-N 2 2 233.315 0.509 20 0 BCADLP CC[NH2+]CC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000867999017 589543108 /nfs/dbraw/zinc/54/31/08/589543108.db2.gz OUUADSZVSYEPIQ-CYBMUJFWSA-N 2 2 247.342 0.899 20 0 BCADLP CC[NH2+]CC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000867999017 589543110 /nfs/dbraw/zinc/54/31/10/589543110.db2.gz OUUADSZVSYEPIQ-CYBMUJFWSA-N 2 2 247.342 0.899 20 0 BCADLP C[C@]1([NH3+])CCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000868072212 589548172 /nfs/dbraw/zinc/54/81/72/589548172.db2.gz PVNMUUBHTZJSTE-ZDUSSCGKSA-N 2 2 244.298 0.898 20 0 BCADLP Cc1cc(NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc[nH+]1 ZINC000868140335 589550341 /nfs/dbraw/zinc/55/03/41/589550341.db2.gz NZOJLRNKJMRURQ-AOOOYVTPSA-N 2 2 234.303 0.671 20 0 BCADLP O[C@@H](C[NH2+]Cc1ccoc1)C[NH+]1CCCC1 ZINC000122209298 589565365 /nfs/dbraw/zinc/56/53/65/589565365.db2.gz YWGROOFSWWTZAD-LBPRGKRZSA-N 2 2 224.304 0.826 20 0 BCADLP O=C(CCC12CC(C1)C[NH2+]2)NCc1[nH]cc[nH+]1 ZINC000870885729 589694758 /nfs/dbraw/zinc/69/47/58/589694758.db2.gz LIYNZFKTHDGZIO-UHFFFAOYSA-N 2 2 234.303 0.558 20 0 BCADLP [NH3+]CCNC(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000870930881 589697699 /nfs/dbraw/zinc/69/76/99/589697699.db2.gz FAXKFPMPINMDBJ-UHFFFAOYSA-N 2 2 236.250 0.091 20 0 BCADLP Cc1[nH]c(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c[nH+]1 ZINC000870965104 589702220 /nfs/dbraw/zinc/70/22/20/589702220.db2.gz GYKUQCCBMPACGT-OCAPTIKFSA-N 2 2 208.265 0.185 20 0 BCADLP C[C@@H]([NH3+])CC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000871021015 589712923 /nfs/dbraw/zinc/71/29/23/589712923.db2.gz NWMPBGRBSQVKQI-SNVBAGLBSA-N 2 2 248.330 0.597 20 0 BCADLP [NH3+]CCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872150929 589884861 /nfs/dbraw/zinc/88/48/61/589884861.db2.gz HNRXEFZMKZGUJU-HTQZYQBOSA-N 3 2 225.258 0.404 20 0 BCADLP [NH3+]CCC[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872150929 589884863 /nfs/dbraw/zinc/88/48/63/589884863.db2.gz HNRXEFZMKZGUJU-HTQZYQBOSA-N 3 2 225.258 0.404 20 0 BCADLP [NH3+][C@@H]1CC[N@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872141855 589879967 /nfs/dbraw/zinc/87/99/67/589879967.db2.gz WREOCPMLDDRMAR-MNOVXSKESA-N 2 2 210.321 0.979 20 0 BCADLP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872141855 589879969 /nfs/dbraw/zinc/87/99/69/589879969.db2.gz WREOCPMLDDRMAR-MNOVXSKESA-N 2 2 210.321 0.979 20 0 BCADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCOC[C@H]2O)C[N@@H+]1C1CC1 ZINC000872141363 589882127 /nfs/dbraw/zinc/88/21/27/589882127.db2.gz TVUURINJQVKRPU-XKAARJIMSA-N 2 2 240.347 0.351 20 0 BCADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCOC[C@H]2O)C[N@H+]1C1CC1 ZINC000872141363 589882129 /nfs/dbraw/zinc/88/21/29/589882129.db2.gz TVUURINJQVKRPU-XKAARJIMSA-N 2 2 240.347 0.351 20 0 BCADLP [NH3+]CC[N@H+](CCO)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000872143447 589882962 /nfs/dbraw/zinc/88/29/62/589882962.db2.gz MOYWJTDKOGIOAC-GRYCIOLGSA-N 2 2 228.336 0.197 20 0 BCADLP [NH3+]CC[N@@H+](CCO)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000872143447 589882963 /nfs/dbraw/zinc/88/29/63/589882963.db2.gz MOYWJTDKOGIOAC-GRYCIOLGSA-N 2 2 228.336 0.197 20 0 BCADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C2CC2)C1 ZINC000872219127 589896020 /nfs/dbraw/zinc/89/60/20/589896020.db2.gz VOEZHEHXYQCMKE-NWDGAFQWSA-N 2 2 242.363 0.192 20 0 BCADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C2CC2)C1 ZINC000872219127 589896021 /nfs/dbraw/zinc/89/60/21/589896021.db2.gz VOEZHEHXYQCMKE-NWDGAFQWSA-N 2 2 242.363 0.192 20 0 BCADLP C[C@H](C[NH2+]Cc1ccon1)N1CC[NH+](C)CC1 ZINC000873044166 589981603 /nfs/dbraw/zinc/98/16/03/589981603.db2.gz FMPFZDIMJOOIJX-LLVKDONJSA-N 2 2 238.335 0.400 20 0 BCADLP Nc1cnc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000873200394 589993297 /nfs/dbraw/zinc/99/32/97/589993297.db2.gz AGXSENOIKHWPBB-VIFPVBQESA-N 2 2 221.308 0.230 20 0 BCADLP Nc1cnc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000873200394 589993299 /nfs/dbraw/zinc/99/32/99/589993299.db2.gz AGXSENOIKHWPBB-VIFPVBQESA-N 2 2 221.308 0.230 20 0 BCADLP C1O[C@H]2[C@H]([NH2+][C@@H]3CCC[NH2+]C3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000873217810 589997944 /nfs/dbraw/zinc/99/79/44/589997944.db2.gz QWVRFUNVBVRUTP-ASHHDVGLSA-N 2 2 222.332 0.751 20 0 BCADLP COCCC1([NH2+]Cc2cocn2)CC[NH2+]CC1 ZINC000873225109 590000626 /nfs/dbraw/zinc/00/06/26/590000626.db2.gz NCCGLVRWXRMJFW-UHFFFAOYSA-N 2 2 239.319 0.923 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccc(N)nc1)C2 ZINC000873229463 590001566 /nfs/dbraw/zinc/00/15/66/590001566.db2.gz ZSJZHQAPKNEMSK-WCQYABFASA-N 2 2 232.331 0.705 20 0 BCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccc(N)nc1)C2 ZINC000873229463 590001568 /nfs/dbraw/zinc/00/15/68/590001568.db2.gz ZSJZHQAPKNEMSK-WCQYABFASA-N 2 2 232.331 0.705 20 0 BCADLP Cn1nccc1C[NH2+][C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873230191 590002373 /nfs/dbraw/zinc/00/23/73/590002373.db2.gz NGJKAZYSGOUDIP-VXGBXAGGSA-N 2 2 220.320 0.794 20 0 BCADLP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1nnnn1C1CC1 ZINC000873251621 590008032 /nfs/dbraw/zinc/00/80/32/590008032.db2.gz WSCUJZIJJCKRNS-XHNCKOQMSA-N 2 2 238.339 0.784 20 0 BCADLP [NH3+][C@H]1C[C@H](C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000873255024 590010405 /nfs/dbraw/zinc/01/04/05/590010405.db2.gz DDFYVJLFUDYKAL-JHEVNIALSA-N 3 2 239.363 0.080 20 0 BCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256265 590011277 /nfs/dbraw/zinc/01/12/77/590011277.db2.gz NJBFRJMLWBJZJZ-KKOKHZNYSA-N 3 2 227.352 0.080 20 0 BCADLP C[C@H](CC(N)=O)[NH2+]C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000873294918 590024170 /nfs/dbraw/zinc/02/41/70/590024170.db2.gz VYNYPXCUXZPWCB-MFKMUULPSA-N 2 2 247.342 0.554 20 0 BCADLP Cc1nonc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000873295532 590024328 /nfs/dbraw/zinc/02/43/28/590024328.db2.gz JLCFUZGSMYKXIV-WCBMZHEXSA-N 2 2 224.308 0.856 20 0 BCADLP Cc1nonc1C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000873296068 590024443 /nfs/dbraw/zinc/02/44/43/590024443.db2.gz UXKWGXXIYRXUQD-WPRPVWTQSA-N 2 2 240.307 0.235 20 0 BCADLP C[C@@H](CC(N)=O)[NH2+]C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000873294916 590024533 /nfs/dbraw/zinc/02/45/33/590024533.db2.gz VYNYPXCUXZPWCB-GWCFXTLKSA-N 2 2 247.342 0.554 20 0 BCADLP O=C(C[NH+]1CCCC1)NCCn1cc[nH+]c1 ZINC000874009966 590084653 /nfs/dbraw/zinc/08/46/53/590084653.db2.gz JUFCHOZMJUUIQP-UHFFFAOYSA-N 2 2 222.292 0.095 20 0 BCADLP CCC[C@H](CC)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000876542182 590212600 /nfs/dbraw/zinc/21/26/00/590212600.db2.gz LGCZSAHNWNMDTJ-RYUDHWBXSA-N 2 2 241.379 0.914 20 0 BCADLP CCC[C@H](CC)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000876542182 590212601 /nfs/dbraw/zinc/21/26/01/590212601.db2.gz LGCZSAHNWNMDTJ-RYUDHWBXSA-N 2 2 241.379 0.914 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000876709749 590232551 /nfs/dbraw/zinc/23/25/51/590232551.db2.gz ZKDVSAJIUWRDBX-NXEZZACHSA-N 2 2 236.319 0.373 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000876763182 590238460 /nfs/dbraw/zinc/23/84/60/590238460.db2.gz IWOXCBRITZHNGM-DTWKUNHWSA-N 2 2 236.319 0.442 20 0 BCADLP CC1(C)[C@H](C(=O)NCc2[nH]cc[nH+]2)C[C@@H]1[NH3+] ZINC000876763374 590239020 /nfs/dbraw/zinc/23/90/20/590239020.db2.gz FAGWQGHVTYZPRS-YUMQZZPRSA-N 2 2 222.292 0.399 20 0 BCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000876779021 590240136 /nfs/dbraw/zinc/24/01/36/590240136.db2.gz URCZTHNQAAOEIC-YIZUVKHSSA-N 2 2 248.330 0.746 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000876882862 590253154 /nfs/dbraw/zinc/25/31/54/590253154.db2.gz UHSGUFHSVUFEKH-RKDXNWHRSA-N 2 2 222.292 0.399 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000876882862 590253155 /nfs/dbraw/zinc/25/31/55/590253155.db2.gz UHSGUFHSVUFEKH-RKDXNWHRSA-N 2 2 222.292 0.399 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)NCCCCCC[NH3+] ZINC000876938109 590259067 /nfs/dbraw/zinc/25/90/67/590259067.db2.gz QBGCVNSFHNNQSG-UHFFFAOYSA-N 2 2 238.335 0.896 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)NCCCCCC[NH3+] ZINC000876938109 590259069 /nfs/dbraw/zinc/25/90/69/590259069.db2.gz QBGCVNSFHNNQSG-UHFFFAOYSA-N 2 2 238.335 0.896 20 0 BCADLP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000877105702 590285025 /nfs/dbraw/zinc/28/50/25/590285025.db2.gz RIYCHMYLSDHSRT-VHSXEESVSA-N 2 2 236.319 0.251 20 0 BCADLP CCc1c[nH]c(CC(=O)N(C)C[C@H](C)[NH3+])[nH+]1 ZINC000877108645 590286465 /nfs/dbraw/zinc/28/64/65/590286465.db2.gz ULUTVLKXGVEFGY-QMMMGPOBSA-N 2 2 224.308 0.320 20 0 BCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000877232875 590301949 /nfs/dbraw/zinc/30/19/49/590301949.db2.gz FLGVDSDPXDNWLI-JTQLQIEISA-N 2 2 226.255 0.070 20 0 BCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877285329 590306715 /nfs/dbraw/zinc/30/67/15/590306715.db2.gz ZJTYTNCFJWMVGD-NEPJUHHUSA-N 2 2 248.330 0.626 20 0 BCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877386462 590320786 /nfs/dbraw/zinc/32/07/86/590320786.db2.gz RMTAIWNLHPLJML-DGCLKSJQSA-N 2 2 248.330 0.661 20 0 BCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877386462 590320789 /nfs/dbraw/zinc/32/07/89/590320789.db2.gz RMTAIWNLHPLJML-DGCLKSJQSA-N 2 2 248.330 0.661 20 0 BCADLP COC1CC([NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)C1 ZINC000877665115 590388888 /nfs/dbraw/zinc/38/88/88/590388888.db2.gz HSBWAKAOAIYIAN-UNXYVOJBSA-N 2 2 242.363 0.599 20 0 BCADLP COC1CC([NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)C1 ZINC000877665115 590388890 /nfs/dbraw/zinc/38/88/90/590388890.db2.gz HSBWAKAOAIYIAN-UNXYVOJBSA-N 2 2 242.363 0.599 20 0 BCADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1COC[C@@H]1O ZINC000877667185 590389764 /nfs/dbraw/zinc/38/97/64/590389764.db2.gz FJTKFYBXFFCIQU-OLZOCXBDSA-N 2 2 236.315 0.672 20 0 BCADLP COC(=O)C1CC([NH2+]Cc2c[nH+]c(C)n2C)C1 ZINC000877722969 590401776 /nfs/dbraw/zinc/40/17/76/590401776.db2.gz AJRAKSQZAQQBHL-UHFFFAOYSA-N 2 2 237.303 0.770 20 0 BCADLP Cn1nncc1C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877742953 590407931 /nfs/dbraw/zinc/40/79/31/590407931.db2.gz HQDYLYFEGGCFFJ-PWSUYJOCSA-N 2 2 235.335 0.341 20 0 BCADLP Cn1nncc1C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877742953 590407934 /nfs/dbraw/zinc/40/79/34/590407934.db2.gz HQDYLYFEGGCFFJ-PWSUYJOCSA-N 2 2 235.335 0.341 20 0 BCADLP Cn1nncc1C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877742953 590407935 /nfs/dbraw/zinc/40/79/35/590407935.db2.gz HQDYLYFEGGCFFJ-PWSUYJOCSA-N 2 2 235.335 0.341 20 0 BCADLP Cn1nncc1C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877742953 590407938 /nfs/dbraw/zinc/40/79/38/590407938.db2.gz HQDYLYFEGGCFFJ-PWSUYJOCSA-N 2 2 235.335 0.341 20 0 BCADLP Cn1nncc1C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877742955 590408466 /nfs/dbraw/zinc/40/84/66/590408466.db2.gz HQDYLYFEGGCFFJ-ZYHUDNBSSA-N 2 2 235.335 0.341 20 0 BCADLP Cn1nncc1C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877742955 590408467 /nfs/dbraw/zinc/40/84/67/590408467.db2.gz HQDYLYFEGGCFFJ-ZYHUDNBSSA-N 2 2 235.335 0.341 20 0 BCADLP Cn1nncc1C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877742955 590408468 /nfs/dbraw/zinc/40/84/68/590408468.db2.gz HQDYLYFEGGCFFJ-ZYHUDNBSSA-N 2 2 235.335 0.341 20 0 BCADLP Cn1nncc1C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877742955 590408469 /nfs/dbraw/zinc/40/84/69/590408469.db2.gz HQDYLYFEGGCFFJ-ZYHUDNBSSA-N 2 2 235.335 0.341 20 0 BCADLP C[C@H]1C[C@@H]([NH+](C)CCn2cnnn2)CC[N@@H+]1C ZINC000878162162 590511618 /nfs/dbraw/zinc/51/16/18/590511618.db2.gz BTMQCFJGVFACGC-QWRGUYRKSA-N 2 2 238.339 0.088 20 0 BCADLP C[C@H]1C[C@@H]([NH+](C)CCn2cnnn2)CC[N@H+]1C ZINC000878162162 590511620 /nfs/dbraw/zinc/51/16/20/590511620.db2.gz BTMQCFJGVFACGC-QWRGUYRKSA-N 2 2 238.339 0.088 20 0 BCADLP C[C@H]1C[C@@H]([N@H+](C)CCn2cnnn2)CC[NH+]1C ZINC000878162162 590511622 /nfs/dbraw/zinc/51/16/22/590511622.db2.gz BTMQCFJGVFACGC-QWRGUYRKSA-N 2 2 238.339 0.088 20 0 BCADLP C[C@H]1C[C@@H]([N@@H+](C)CCn2cnnn2)CC[NH+]1C ZINC000878162162 590511624 /nfs/dbraw/zinc/51/16/24/590511624.db2.gz BTMQCFJGVFACGC-QWRGUYRKSA-N 2 2 238.339 0.088 20 0 BCADLP C[C@H]1COCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000878299442 590537618 /nfs/dbraw/zinc/53/76/18/590537618.db2.gz UBXDKAZDMNRVHU-LLVKDONJSA-N 2 2 223.320 0.931 20 0 BCADLP C[C@H]1COCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000878299442 590537619 /nfs/dbraw/zinc/53/76/19/590537619.db2.gz UBXDKAZDMNRVHU-LLVKDONJSA-N 2 2 223.320 0.931 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCOC[C@@H]1CCO ZINC000878318592 590543674 /nfs/dbraw/zinc/54/36/74/590543674.db2.gz VZMAAALAARXXTE-LBPRGKRZSA-N 2 2 239.319 0.046 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCOC[C@@H]1CCO ZINC000878318592 590543676 /nfs/dbraw/zinc/54/36/76/590543676.db2.gz VZMAAALAARXXTE-LBPRGKRZSA-N 2 2 239.319 0.046 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](O)C1(C)C ZINC000878635248 590598330 /nfs/dbraw/zinc/59/83/30/590598330.db2.gz URXWOMKTUMPUAD-LLVKDONJSA-N 2 2 223.320 0.808 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](O)C1(C)C ZINC000878635248 590598332 /nfs/dbraw/zinc/59/83/32/590598332.db2.gz URXWOMKTUMPUAD-LLVKDONJSA-N 2 2 223.320 0.808 20 0 BCADLP CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879566619 590807223 /nfs/dbraw/zinc/80/72/23/590807223.db2.gz HYMBHAJENIFSGI-MNOVXSKESA-N 2 2 225.336 0.101 20 0 BCADLP CN(C)C(=O)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879566619 590807224 /nfs/dbraw/zinc/80/72/24/590807224.db2.gz HYMBHAJENIFSGI-MNOVXSKESA-N 2 2 225.336 0.101 20 0 BCADLP CN(C)C(=O)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879566619 590807225 /nfs/dbraw/zinc/80/72/25/590807225.db2.gz HYMBHAJENIFSGI-MNOVXSKESA-N 2 2 225.336 0.101 20 0 BCADLP CN(C)C(=O)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879566619 590807227 /nfs/dbraw/zinc/80/72/27/590807227.db2.gz HYMBHAJENIFSGI-MNOVXSKESA-N 2 2 225.336 0.101 20 0 BCADLP CC(=O)CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879568648 590807623 /nfs/dbraw/zinc/80/76/23/590807623.db2.gz BSZOQYBQVYZQGX-VXGBXAGGSA-N 2 2 210.321 0.992 20 0 BCADLP CC(=O)CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879568648 590807628 /nfs/dbraw/zinc/80/76/28/590807628.db2.gz BSZOQYBQVYZQGX-VXGBXAGGSA-N 2 2 210.321 0.992 20 0 BCADLP CC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879568648 590807634 /nfs/dbraw/zinc/80/76/34/590807634.db2.gz BSZOQYBQVYZQGX-VXGBXAGGSA-N 2 2 210.321 0.992 20 0 BCADLP CC(=O)CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879568648 590807636 /nfs/dbraw/zinc/80/76/36/590807636.db2.gz BSZOQYBQVYZQGX-VXGBXAGGSA-N 2 2 210.321 0.992 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](CCn3cncn3)CC[C@H]21 ZINC000879571507 590808882 /nfs/dbraw/zinc/80/88/82/590808882.db2.gz ASJQTLLQAQPRSY-VXGBXAGGSA-N 2 2 235.335 0.304 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](CCn3cncn3)CC[C@H]21 ZINC000879571507 590808886 /nfs/dbraw/zinc/80/88/86/590808886.db2.gz ASJQTLLQAQPRSY-VXGBXAGGSA-N 2 2 235.335 0.304 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](CCn3cncn3)CC[C@H]21 ZINC000879571507 590808887 /nfs/dbraw/zinc/80/88/87/590808887.db2.gz ASJQTLLQAQPRSY-VXGBXAGGSA-N 2 2 235.335 0.304 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](CCn3cncn3)CC[C@H]21 ZINC000879571507 590808890 /nfs/dbraw/zinc/80/88/90/590808890.db2.gz ASJQTLLQAQPRSY-VXGBXAGGSA-N 2 2 235.335 0.304 20 0 BCADLP C[N@@H+]1CC[C@@H]2C[NH+](CCn3cccn3)CC[C@H]21 ZINC000879571002 590811696 /nfs/dbraw/zinc/81/16/96/590811696.db2.gz LDZFLTKVSNWNTR-CHWSQXEVSA-N 2 2 234.347 0.909 20 0 BCADLP C[N@H+]1CC[C@@H]2C[NH+](CCn3cccn3)CC[C@H]21 ZINC000879571002 590811698 /nfs/dbraw/zinc/81/16/98/590811698.db2.gz LDZFLTKVSNWNTR-CHWSQXEVSA-N 2 2 234.347 0.909 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@H+](CCn3cccn3)CC[C@H]21 ZINC000879571002 590811699 /nfs/dbraw/zinc/81/16/99/590811699.db2.gz LDZFLTKVSNWNTR-CHWSQXEVSA-N 2 2 234.347 0.909 20 0 BCADLP C[NH+]1CC[C@@H]2C[N@@H+](CCn3cccn3)CC[C@H]21 ZINC000879571002 590811701 /nfs/dbraw/zinc/81/17/01/590811701.db2.gz LDZFLTKVSNWNTR-CHWSQXEVSA-N 2 2 234.347 0.909 20 0 BCADLP C[N@@H+]1CC[C@H]2C[NH+](CC3OCCO3)CC[C@@H]21 ZINC000879579981 590818762 /nfs/dbraw/zinc/81/87/62/590818762.db2.gz CQAAQZNYTVWKSV-QWRGUYRKSA-N 2 2 226.320 0.385 20 0 BCADLP C[N@H+]1CC[C@H]2C[NH+](CC3OCCO3)CC[C@@H]21 ZINC000879579981 590818764 /nfs/dbraw/zinc/81/87/64/590818764.db2.gz CQAAQZNYTVWKSV-QWRGUYRKSA-N 2 2 226.320 0.385 20 0 BCADLP C[NH+]1CC[C@H]2C[N@H+](CC3OCCO3)CC[C@@H]21 ZINC000879579981 590818766 /nfs/dbraw/zinc/81/87/66/590818766.db2.gz CQAAQZNYTVWKSV-QWRGUYRKSA-N 2 2 226.320 0.385 20 0 BCADLP C[NH+]1CC[C@H]2C[N@@H+](CC3OCCO3)CC[C@@H]21 ZINC000879579981 590818769 /nfs/dbraw/zinc/81/87/69/590818769.db2.gz CQAAQZNYTVWKSV-QWRGUYRKSA-N 2 2 226.320 0.385 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879583361 590821944 /nfs/dbraw/zinc/82/19/44/590821944.db2.gz YCKOBWYCQXIFIX-TZMCWYRMSA-N 3 2 248.374 0.989 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879583361 590821947 /nfs/dbraw/zinc/82/19/47/590821947.db2.gz YCKOBWYCQXIFIX-TZMCWYRMSA-N 3 2 248.374 0.989 20 0 BCADLP Cn1c[nH+]cc1CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879583361 590821950 /nfs/dbraw/zinc/82/19/50/590821950.db2.gz YCKOBWYCQXIFIX-TZMCWYRMSA-N 3 2 248.374 0.989 20 0 BCADLP Cn1c[nH+]cc1CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879583361 590821954 /nfs/dbraw/zinc/82/19/54/590821954.db2.gz YCKOBWYCQXIFIX-TZMCWYRMSA-N 3 2 248.374 0.989 20 0 BCADLP CC1(C)C[C@H](O)C[N@H+](CCn2cc[nH+]c2)C1 ZINC000879622924 590836273 /nfs/dbraw/zinc/83/62/73/590836273.db2.gz PJBZIGZNBLISDY-NSHDSACASA-N 2 2 223.320 0.976 20 0 BCADLP CC1(C)C[C@H](O)C[N@@H+](CCn2cc[nH+]c2)C1 ZINC000879622924 590836275 /nfs/dbraw/zinc/83/62/75/590836275.db2.gz PJBZIGZNBLISDY-NSHDSACASA-N 2 2 223.320 0.976 20 0 BCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)CC(C)(C)C1 ZINC000879624642 590837749 /nfs/dbraw/zinc/83/77/49/590837749.db2.gz YKWGPBDKXMSBSZ-NWDGAFQWSA-N 2 2 244.379 0.392 20 0 BCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)CC(C)(C)C1 ZINC000879624642 590837751 /nfs/dbraw/zinc/83/77/51/590837751.db2.gz YKWGPBDKXMSBSZ-NWDGAFQWSA-N 2 2 244.379 0.392 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879624642 590837753 /nfs/dbraw/zinc/83/77/53/590837753.db2.gz YKWGPBDKXMSBSZ-NWDGAFQWSA-N 2 2 244.379 0.392 20 0 BCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879624642 590837755 /nfs/dbraw/zinc/83/77/55/590837755.db2.gz YKWGPBDKXMSBSZ-NWDGAFQWSA-N 2 2 244.379 0.392 20 0 BCADLP COC[C@H](C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C)OC ZINC000880142924 590942109 /nfs/dbraw/zinc/94/21/09/590942109.db2.gz VZUYWGCZXBZWSB-RWMBFGLXSA-N 2 2 242.363 0.816 20 0 BCADLP COC[C@H](C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C)OC ZINC000880142924 590942111 /nfs/dbraw/zinc/94/21/11/590942111.db2.gz VZUYWGCZXBZWSB-RWMBFGLXSA-N 2 2 242.363 0.816 20 0 BCADLP COC[C@H](C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C)OC ZINC000880142924 590942115 /nfs/dbraw/zinc/94/21/15/590942115.db2.gz VZUYWGCZXBZWSB-RWMBFGLXSA-N 2 2 242.363 0.816 20 0 BCADLP COC[C@H](C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C)OC ZINC000880142924 590942119 /nfs/dbraw/zinc/94/21/19/590942119.db2.gz VZUYWGCZXBZWSB-RWMBFGLXSA-N 2 2 242.363 0.816 20 0 BCADLP Cn1cc(CC[N@@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)nn1 ZINC000880140881 590942515 /nfs/dbraw/zinc/94/25/15/590942515.db2.gz DYAOZZLKKBJWLI-CHWSQXEVSA-N 2 2 249.362 0.526 20 0 BCADLP Cn1cc(CC[N@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)nn1 ZINC000880140881 590942517 /nfs/dbraw/zinc/94/25/17/590942517.db2.gz DYAOZZLKKBJWLI-CHWSQXEVSA-N 2 2 249.362 0.526 20 0 BCADLP Cn1cc(CC[NH+]2CC[C@@H]3[C@H]2CCC[N@@H+]3C)nn1 ZINC000880140881 590942518 /nfs/dbraw/zinc/94/25/18/590942518.db2.gz DYAOZZLKKBJWLI-CHWSQXEVSA-N 2 2 249.362 0.526 20 0 BCADLP Cn1cc(CC[NH+]2CC[C@@H]3[C@H]2CCC[N@H+]3C)nn1 ZINC000880140881 590942520 /nfs/dbraw/zinc/94/25/20/590942520.db2.gz DYAOZZLKKBJWLI-CHWSQXEVSA-N 2 2 249.362 0.526 20 0 BCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000882492792 591371866 /nfs/dbraw/zinc/37/18/66/591371866.db2.gz WKAGIJYWOOECRO-SNVBAGLBSA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@H+]1CC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000882492792 591371871 /nfs/dbraw/zinc/37/18/71/591371871.db2.gz WKAGIJYWOOECRO-SNVBAGLBSA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000882492781 591372370 /nfs/dbraw/zinc/37/23/70/591372370.db2.gz WEWLFVXAVXZSBP-LLVKDONJSA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@H+]1CC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000882492781 591372374 /nfs/dbraw/zinc/37/23/74/591372374.db2.gz WEWLFVXAVXZSBP-LLVKDONJSA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000882492781 591372379 /nfs/dbraw/zinc/37/23/79/591372379.db2.gz WEWLFVXAVXZSBP-LLVKDONJSA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@H+]1CC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000882492781 591372383 /nfs/dbraw/zinc/37/23/83/591372383.db2.gz WEWLFVXAVXZSBP-LLVKDONJSA-N 2 2 236.319 0.553 20 0 BCADLP C[N@H+](C/C=C\Cl)CC(=O)N1CC[NH2+]CC1 ZINC000213449829 591474267 /nfs/dbraw/zinc/47/42/67/591474267.db2.gz FWTUXCIBDXPRRU-IHWYPQMZSA-N 2 2 231.727 0.103 20 0 BCADLP C[N@@H+](C/C=C\Cl)CC(=O)N1CC[NH2+]CC1 ZINC000213449829 591474271 /nfs/dbraw/zinc/47/42/71/591474271.db2.gz FWTUXCIBDXPRRU-IHWYPQMZSA-N 2 2 231.727 0.103 20 0 BCADLP Cc1[nH+]ccn1CCCO[NH+]=C(N)CO ZINC000883011823 591510480 /nfs/dbraw/zinc/51/04/80/591510480.db2.gz KOEHXVIIBZHXDE-UHFFFAOYSA-N 2 2 212.253 0.072 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCOC1=O ZINC000130791094 591518819 /nfs/dbraw/zinc/51/88/19/591518819.db2.gz GAMFATWXVYHSQN-LLVKDONJSA-N 2 2 237.303 0.829 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCOC1=O ZINC000130791094 591518830 /nfs/dbraw/zinc/51/88/30/591518830.db2.gz GAMFATWXVYHSQN-LLVKDONJSA-N 2 2 237.303 0.829 20 0 BCADLP COC[C@H]([NH2+]CC[NH+](C)C)[C@@H]1CCCOC1 ZINC000883222601 591577224 /nfs/dbraw/zinc/57/72/24/591577224.db2.gz WOVLGZPVGKAULH-NEPJUHHUSA-N 2 2 230.352 0.579 20 0 BCADLP C[N@H+](CC[NH2+][C@@H]1CCSC1)CCOCCO ZINC000883348140 591622853 /nfs/dbraw/zinc/62/28/53/591622853.db2.gz IMQAUAYNDLKZHT-LLVKDONJSA-N 2 2 248.392 0.022 20 0 BCADLP C[N@@H+](CC[NH2+][C@@H]1CCSC1)CCOCCO ZINC000883348140 591622859 /nfs/dbraw/zinc/62/28/59/591622859.db2.gz IMQAUAYNDLKZHT-LLVKDONJSA-N 2 2 248.392 0.022 20 0 BCADLP CCN1CC[C@@H]1C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000883354900 591626315 /nfs/dbraw/zinc/62/63/15/591626315.db2.gz DQHROURGEWQMBZ-TUAOUCFPSA-N 2 2 211.353 0.620 20 0 BCADLP CCN1CC[C@@H]1C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000883354900 591626317 /nfs/dbraw/zinc/62/63/17/591626317.db2.gz DQHROURGEWQMBZ-TUAOUCFPSA-N 2 2 211.353 0.620 20 0 BCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000883416241 591652933 /nfs/dbraw/zinc/65/29/33/591652933.db2.gz PQONNBGJCQIQRH-NSHDSACASA-N 3 2 222.336 0.633 20 0 BCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000883416241 591652935 /nfs/dbraw/zinc/65/29/35/591652935.db2.gz PQONNBGJCQIQRH-NSHDSACASA-N 3 2 222.336 0.633 20 0 BCADLP CC1(C)CCC[C@H](C[N@H+](CC[NH3+])CCO)O1 ZINC000883425077 591659274 /nfs/dbraw/zinc/65/92/74/591659274.db2.gz KUZNNQRPOBGTOK-LLVKDONJSA-N 2 2 230.352 0.587 20 0 BCADLP CC1(C)CCC[C@H](C[N@@H+](CC[NH3+])CCO)O1 ZINC000883425077 591659276 /nfs/dbraw/zinc/65/92/76/591659276.db2.gz KUZNNQRPOBGTOK-LLVKDONJSA-N 2 2 230.352 0.587 20 0 BCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884395024 591923236 /nfs/dbraw/zinc/92/32/36/591923236.db2.gz SAQQHBIGAAUPFZ-SNVBAGLBSA-N 2 2 236.319 0.614 20 0 BCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884395024 591923238 /nfs/dbraw/zinc/92/32/38/591923238.db2.gz SAQQHBIGAAUPFZ-SNVBAGLBSA-N 2 2 236.319 0.614 20 0 BCADLP CCN(CC[NH3+])C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000884431659 591932713 /nfs/dbraw/zinc/93/27/13/591932713.db2.gz ACMOHTDCFMEVQU-UHFFFAOYSA-N 2 2 238.335 0.734 20 0 BCADLP O=C(CC[C@H]1CC[NH2+]C1)NCCn1cc[nH+]c1 ZINC000134544880 591935833 /nfs/dbraw/zinc/93/58/33/591935833.db2.gz NWKGPHTWXCRXSH-NSHDSACASA-N 2 2 236.319 0.389 20 0 BCADLP Cc1[nH+]cnc(NCC[N@@H+](C)CCO)c1C ZINC000884826168 592018292 /nfs/dbraw/zinc/01/82/92/592018292.db2.gz MKFFZDOFHVCWHE-UHFFFAOYSA-N 2 2 224.308 0.429 20 0 BCADLP C[N@H+](CCO)CCNc1cc[nH+]c(C2CC2)n1 ZINC000884824963 592022433 /nfs/dbraw/zinc/02/24/33/592022433.db2.gz XSGGDKSXACERMH-UHFFFAOYSA-N 2 2 236.319 0.690 20 0 BCADLP C[N@@H+](CCO)CCNc1cc[nH+]c(C2CC2)n1 ZINC000884824963 592022436 /nfs/dbraw/zinc/02/24/36/592022436.db2.gz XSGGDKSXACERMH-UHFFFAOYSA-N 2 2 236.319 0.690 20 0 BCADLP C[N@H+](CCO)CCNc1nc[nH+]c(N)c1Cl ZINC000884825251 592023739 /nfs/dbraw/zinc/02/37/39/592023739.db2.gz NGXBHFKGSFMJJE-UHFFFAOYSA-N 2 2 245.714 0.048 20 0 BCADLP C[N@@H+](CCO)CCNc1nc[nH+]c(N)c1Cl ZINC000884825251 592023743 /nfs/dbraw/zinc/02/37/43/592023743.db2.gz NGXBHFKGSFMJJE-UHFFFAOYSA-N 2 2 245.714 0.048 20 0 BCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCn2nncc2C1 ZINC000886460892 592227921 /nfs/dbraw/zinc/22/79/21/592227921.db2.gz BIURMBQHPNLNET-LBPRGKRZSA-N 2 2 249.362 0.968 20 0 BCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCCn2nncc2C1 ZINC000886460892 592227924 /nfs/dbraw/zinc/22/79/24/592227924.db2.gz BIURMBQHPNLNET-LBPRGKRZSA-N 2 2 249.362 0.968 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCn2nncc2C1 ZINC000886460892 592227926 /nfs/dbraw/zinc/22/79/26/592227926.db2.gz BIURMBQHPNLNET-LBPRGKRZSA-N 2 2 249.362 0.968 20 0 BCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCCn2nncc2C1 ZINC000886460892 592227929 /nfs/dbraw/zinc/22/79/29/592227929.db2.gz BIURMBQHPNLNET-LBPRGKRZSA-N 2 2 249.362 0.968 20 0 BCADLP [NH3+]CC[N@H+](CCO)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886832713 592352556 /nfs/dbraw/zinc/35/25/56/592352556.db2.gz LWCDBTFFOJQEFR-VXGBXAGGSA-N 2 2 228.336 0.197 20 0 BCADLP [NH3+]CC[N@@H+](CCO)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886832713 592352559 /nfs/dbraw/zinc/35/25/59/592352559.db2.gz LWCDBTFFOJQEFR-VXGBXAGGSA-N 2 2 228.336 0.197 20 0 BCADLP [NH3+]CC[N@H+](CCO)C[C@@H]1CCC2(CCC2)CO1 ZINC000886832101 592354008 /nfs/dbraw/zinc/35/40/08/592354008.db2.gz APIVMAMRVYAMOE-LBPRGKRZSA-N 2 2 242.363 0.589 20 0 BCADLP [NH3+]CC[N@@H+](CCO)C[C@@H]1CCC2(CCC2)CO1 ZINC000886832101 592354015 /nfs/dbraw/zinc/35/40/15/592354015.db2.gz APIVMAMRVYAMOE-LBPRGKRZSA-N 2 2 242.363 0.589 20 0 BCADLP [NH3+]CC[N@H+](CC[C@@H]1C[C@H]1C1CC1)C[C@H](O)CO ZINC000886841191 592360395 /nfs/dbraw/zinc/36/03/95/592360395.db2.gz FCAHUZJCBIPXSW-AGIUHOORSA-N 2 2 242.363 0.037 20 0 BCADLP [NH3+]CC[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C[C@H](O)CO ZINC000886841191 592360397 /nfs/dbraw/zinc/36/03/97/592360397.db2.gz FCAHUZJCBIPXSW-AGIUHOORSA-N 2 2 242.363 0.037 20 0 BCADLP CC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H]1CC[NH2+]C1 ZINC000886847060 592365160 /nfs/dbraw/zinc/36/51/60/592365160.db2.gz YACVRGAIPNPYKB-RYUDHWBXSA-N 3 2 239.363 0.191 20 0 BCADLP CC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H]1CC[NH2+]C1 ZINC000886847060 592365164 /nfs/dbraw/zinc/36/51/64/592365164.db2.gz YACVRGAIPNPYKB-RYUDHWBXSA-N 3 2 239.363 0.191 20 0 BCADLP CCNC(=O)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872744 592377721 /nfs/dbraw/zinc/37/77/21/592377721.db2.gz ZXMMOJYVRVFNTH-ZDUSSCGKSA-N 2 2 239.363 0.588 20 0 BCADLP CCNC(=O)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872744 592377725 /nfs/dbraw/zinc/37/77/25/592377725.db2.gz ZXMMOJYVRVFNTH-ZDUSSCGKSA-N 2 2 239.363 0.588 20 0 BCADLP COC(=O)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874880 592378935 /nfs/dbraw/zinc/37/89/35/592378935.db2.gz ZAMGMXZFDLIDKO-GFCCVEGCSA-N 2 2 226.320 0.625 20 0 BCADLP COC(=O)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874880 592378938 /nfs/dbraw/zinc/37/89/38/592378938.db2.gz ZAMGMXZFDLIDKO-GFCCVEGCSA-N 2 2 226.320 0.625 20 0 BCADLP Cn1c[nH+]cc1CNC(=[NH2+])NCC(F)F ZINC000887359271 592489896 /nfs/dbraw/zinc/48/98/96/592489896.db2.gz MSTVXZYZYROODR-UHFFFAOYSA-N 2 2 217.223 0.299 20 0 BCADLP CC[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+](C)CC1 ZINC000890073578 592676742 /nfs/dbraw/zinc/67/67/42/592676742.db2.gz QLUOZZNSBOTOGK-NSHDSACASA-N 2 2 240.351 0.038 20 0 BCADLP CC[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+](C)CC1 ZINC000890073578 592676746 /nfs/dbraw/zinc/67/67/46/592676746.db2.gz QLUOZZNSBOTOGK-NSHDSACASA-N 2 2 240.351 0.038 20 0 BCADLP CC[C@@H](C(=O)NCc1cn(C)c[nH+]1)[NH+](C)C ZINC000890104513 592680238 /nfs/dbraw/zinc/68/02/38/592680238.db2.gz YUNAASDZRKEBCX-JTQLQIEISA-N 2 2 224.308 0.377 20 0 BCADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)NC2CC2)CC1 ZINC000365376537 592730921 /nfs/dbraw/zinc/73/09/21/592730921.db2.gz DEHIWGKFZYMIBK-GFCCVEGCSA-N 2 2 239.363 0.681 20 0 BCADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)NC2CC2)CC1 ZINC000365376537 592730923 /nfs/dbraw/zinc/73/09/23/592730923.db2.gz DEHIWGKFZYMIBK-GFCCVEGCSA-N 2 2 239.363 0.681 20 0 BCADLP C[C@@H](C[NH2+][C@@H]1C[NH2+]CCOC1)CC(F)F ZINC000925713427 634416032 /nfs/dbraw/zinc/41/60/32/634416032.db2.gz RZVUYIFEBMUNHX-RKDXNWHRSA-N 2 2 222.279 0.856 20 0 BCADLP FC1(F)C[C@H]1CC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925720057 634458101 /nfs/dbraw/zinc/45/81/01/634458101.db2.gz DXTGBSJTSBKDGV-RKDXNWHRSA-N 2 2 220.263 0.610 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2)CC[N@@H+]1C ZINC000095015739 635508950 /nfs/dbraw/zinc/50/89/50/635508950.db2.gz XPPADZHVTXIMON-IJLUTSLNSA-N 2 2 211.353 0.763 20 0 BCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2)CC[N@H+]1C ZINC000095015739 635508955 /nfs/dbraw/zinc/50/89/55/635508955.db2.gz XPPADZHVTXIMON-IJLUTSLNSA-N 2 2 211.353 0.763 20 0 BCADLP CCC[C@H](O)CC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000925855018 635544296 /nfs/dbraw/zinc/54/42/96/635544296.db2.gz FYNDBHVXACHKJW-UPJWGTAASA-N 2 2 244.379 0.894 20 0 BCADLP C[N@H+](C[C@H]([NH3+])CC(F)F)[C@H]1CCOC1 ZINC000308463020 631353464 /nfs/dbraw/zinc/35/34/64/631353464.db2.gz GGQLMQOGJIHTFU-SFYZADRCSA-N 2 2 208.252 0.690 20 0 BCADLP C[N@@H+](C[C@H]([NH3+])CC(F)F)[C@H]1CCOC1 ZINC000308463020 631353469 /nfs/dbraw/zinc/35/34/69/631353469.db2.gz GGQLMQOGJIHTFU-SFYZADRCSA-N 2 2 208.252 0.690 20 0 BCADLP [NH3+]C1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000082679980 631410746 /nfs/dbraw/zinc/41/07/46/631410746.db2.gz FGLKEBRYFRMZNF-ZETCQYMHSA-N 2 2 212.215 0.333 20 0 BCADLP CC[NH+](CC)CCC[N@@H+]1CC[C@H]1CO ZINC000934015037 631607798 /nfs/dbraw/zinc/60/77/98/631607798.db2.gz QSJKWRKSHZLGCE-NSHDSACASA-N 2 2 200.326 0.785 20 0 BCADLP CC[NH+](CC)CCC[N@H+]1CC[C@H]1CO ZINC000934015037 631607801 /nfs/dbraw/zinc/60/78/01/631607801.db2.gz QSJKWRKSHZLGCE-NSHDSACASA-N 2 2 200.326 0.785 20 0 BCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H]1CO ZINC000934019053 631618881 /nfs/dbraw/zinc/61/88/81/631618881.db2.gz LTUDMVYMVQXLTI-NSHDSACASA-N 2 2 209.293 0.419 20 0 BCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H]1CO ZINC000934019053 631618886 /nfs/dbraw/zinc/61/88/86/631618886.db2.gz LTUDMVYMVQXLTI-NSHDSACASA-N 2 2 209.293 0.419 20 0 BCADLP Cl/C=C/C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000309029958 631804114 /nfs/dbraw/zinc/80/41/14/631804114.db2.gz AVYBZAOJBCHBII-VEPLAOFISA-N 2 2 229.755 0.718 20 0 BCADLP COC(=O)[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000044518060 631816415 /nfs/dbraw/zinc/81/64/15/631816415.db2.gz BBCMHFFEDSREQK-SECBINFHSA-N 2 2 214.309 0.479 20 0 BCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCOC[C@@H](C)C1 ZINC000309215910 631969078 /nfs/dbraw/zinc/96/90/78/631969078.db2.gz FOBSWSNLPDNXNQ-RYUDHWBXSA-N 2 2 230.352 0.267 20 0 BCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCOC[C@@H](C)C1 ZINC000309215910 631969084 /nfs/dbraw/zinc/96/90/84/631969084.db2.gz FOBSWSNLPDNXNQ-RYUDHWBXSA-N 2 2 230.352 0.267 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCOC[C@@H](C)C1 ZINC000309215910 631969086 /nfs/dbraw/zinc/96/90/86/631969086.db2.gz FOBSWSNLPDNXNQ-RYUDHWBXSA-N 2 2 230.352 0.267 20 0 BCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCOC[C@@H](C)C1 ZINC000309215910 631969097 /nfs/dbraw/zinc/96/90/97/631969097.db2.gz FOBSWSNLPDNXNQ-RYUDHWBXSA-N 2 2 230.352 0.267 20 0 BCADLP CCOC(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000309345564 632005284 /nfs/dbraw/zinc/00/52/84/632005284.db2.gz MCSLLVVYMKAYLA-WDEREUQCSA-N 2 2 226.320 0.433 20 0 BCADLP CCOC(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000309345564 632005292 /nfs/dbraw/zinc/00/52/92/632005292.db2.gz MCSLLVVYMKAYLA-WDEREUQCSA-N 2 2 226.320 0.433 20 0 BCADLP CCOC(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000309345564 632005298 /nfs/dbraw/zinc/00/52/98/632005298.db2.gz MCSLLVVYMKAYLA-WDEREUQCSA-N 2 2 226.320 0.433 20 0 BCADLP CCOC(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000309345564 632005307 /nfs/dbraw/zinc/00/53/07/632005307.db2.gz MCSLLVVYMKAYLA-WDEREUQCSA-N 2 2 226.320 0.433 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001022889113 632030475 /nfs/dbraw/zinc/03/04/75/632030475.db2.gz YVMRMMNENWSEAJ-PHIMTYICSA-N 2 2 248.330 0.599 20 0 BCADLP Cc1nc(NC[C@@H](O)C[NH+](C)C)cc[nH+]1 ZINC000309046227 632623356 /nfs/dbraw/zinc/62/33/56/632623356.db2.gz OTKLWDMBAWNIAR-SECBINFHSA-N 2 2 210.281 0.119 20 0 BCADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000310083418 632700532 /nfs/dbraw/zinc/70/05/32/632700532.db2.gz FFSGNTXXQXUHED-NEPJUHHUSA-N 2 2 241.379 0.973 20 0 BCADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000310083418 632700535 /nfs/dbraw/zinc/70/05/35/632700535.db2.gz FFSGNTXXQXUHED-NEPJUHHUSA-N 2 2 241.379 0.973 20 0 BCADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]CC[NH+]1CCCC1 ZINC000310465010 632743643 /nfs/dbraw/zinc/74/36/43/632743643.db2.gz WWSWLXSPWHDCIN-VXGBXAGGSA-N 2 2 239.363 0.729 20 0 BCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCOC[C@@H](C)C1 ZINC000310537863 632753969 /nfs/dbraw/zinc/75/39/69/632753969.db2.gz PSJPIXUZUQLTGT-QWHCGFSZSA-N 2 2 244.379 0.656 20 0 BCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCOC[C@@H](C)C1 ZINC000310537863 632753976 /nfs/dbraw/zinc/75/39/76/632753976.db2.gz PSJPIXUZUQLTGT-QWHCGFSZSA-N 2 2 244.379 0.656 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCOC[C@@H](C)C1 ZINC000310537863 632753980 /nfs/dbraw/zinc/75/39/80/632753980.db2.gz PSJPIXUZUQLTGT-QWHCGFSZSA-N 2 2 244.379 0.656 20 0 BCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCOC[C@@H](C)C1 ZINC000310537863 632753985 /nfs/dbraw/zinc/75/39/85/632753985.db2.gz PSJPIXUZUQLTGT-QWHCGFSZSA-N 2 2 244.379 0.656 20 0 BCADLP OCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924536919 632769609 /nfs/dbraw/zinc/76/96/09/632769609.db2.gz VGXBASWNRSLZIG-NWDGAFQWSA-N 2 2 212.337 0.975 20 0 BCADLP OCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924536919 632769621 /nfs/dbraw/zinc/76/96/21/632769621.db2.gz VGXBASWNRSLZIG-NWDGAFQWSA-N 2 2 212.337 0.975 20 0 BCADLP FC1(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000309573399 633203447 /nfs/dbraw/zinc/20/34/47/633203447.db2.gz NTZRSFSLTUBAFP-QWRGUYRKSA-N 2 2 228.311 0.941 20 0 BCADLP FC1(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000309573399 633203454 /nfs/dbraw/zinc/20/34/54/633203454.db2.gz NTZRSFSLTUBAFP-QWRGUYRKSA-N 2 2 228.311 0.941 20 0 BCADLP [NH3+][C@H](CC1CC1)C(=O)NCCn1cc[nH+]c1 ZINC000304346963 635940773 /nfs/dbraw/zinc/94/07/73/635940773.db2.gz JXVOBIYAAMJLLO-SNVBAGLBSA-N 2 2 222.292 0.127 20 0 BCADLP CCNC(=O)[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328447004 633765010 /nfs/dbraw/zinc/76/50/10/633765010.db2.gz OJSHQDUSJZIMLG-NEJQNHLGSA-N 2 2 237.347 0.097 20 0 BCADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C(=O)N(C)C ZINC000328573739 633779640 /nfs/dbraw/zinc/77/96/40/633779640.db2.gz WDYQCKHLYLOYQI-NEJQNHLGSA-N 2 2 237.347 0.049 20 0 BCADLP CSCCCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925501638 633823668 /nfs/dbraw/zinc/82/36/68/633823668.db2.gz DCHPSPMPWXNBFL-JTQLQIEISA-N 2 2 218.366 0.708 20 0 BCADLP CSCC[C@@H](C)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925508060 633841744 /nfs/dbraw/zinc/84/17/44/633841744.db2.gz DGEKNGALDUXHPA-ZJUUUORDSA-N 2 2 218.366 0.706 20 0 BCADLP COCCC1(C[NH2+][C@@H]2C[NH2+]CCOC2)CCC1 ZINC000925560123 634040279 /nfs/dbraw/zinc/04/02/79/634040279.db2.gz YOXITZVMXXZIBS-GFCCVEGCSA-N 2 2 242.363 0.771 20 0 BCADLP C[C@@H]1C[NH+](CCN2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000309992280 634050669 /nfs/dbraw/zinc/05/06/69/634050669.db2.gz MBFXSRYHCOYFGP-CHWSQXEVSA-N 2 2 241.379 0.343 20 0 BCADLP CO[C@@H]1COCC[C@H]1[N@H+](C)C[C@H]1CCC[NH2+]1 ZINC000310134106 634079029 /nfs/dbraw/zinc/07/90/29/634079029.db2.gz BLNKGXVCVQTUHY-IJLUTSLNSA-N 2 2 228.336 0.474 20 0 BCADLP CO[C@@H]1COCC[C@H]1[N@@H+](C)C[C@H]1CCC[NH2+]1 ZINC000310134106 634079035 /nfs/dbraw/zinc/07/90/35/634079035.db2.gz BLNKGXVCVQTUHY-IJLUTSLNSA-N 2 2 228.336 0.474 20 0 BCADLP C[C@@H]([NH3+])[C@H]([NH2+]CCOCCO)c1ccccc1 ZINC000925609485 634146887 /nfs/dbraw/zinc/14/68/87/634146887.db2.gz BPJVXXYJGMOKTB-YPMHNXCESA-N 2 2 238.331 0.673 20 0 BCADLP CCC1(O)CCC([NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925616295 634162428 /nfs/dbraw/zinc/16/24/28/634162428.db2.gz QPSPYSNIEKLVDG-OTTFEQOBSA-N 2 2 242.363 0.648 20 0 BCADLP CCOCCC1(C[NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925620602 634180055 /nfs/dbraw/zinc/18/00/55/634180055.db2.gz CCMUXUJFEGTCQA-LBPRGKRZSA-N 2 2 242.363 0.771 20 0 BCADLP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925669829 634251139 /nfs/dbraw/zinc/25/11/39/634251139.db2.gz FTZAVASFGYDNTB-UTUOFQBUSA-N 2 2 228.336 0.237 20 0 BCADLP C[C@@H]1COCC[C@H]1C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925669830 634251288 /nfs/dbraw/zinc/25/12/88/634251288.db2.gz FTZAVASFGYDNTB-WOPDTQHZSA-N 2 2 228.336 0.237 20 0 BCADLP FCC1(C[NH2+][C@H]2C[NH2+]CCOC2)CCOCC1 ZINC000925682843 634285600 /nfs/dbraw/zinc/28/56/00/634285600.db2.gz GFKURTNRJWZAOI-NSHDSACASA-N 2 2 246.326 0.331 20 0 BCADLP COCC[C@H](C)C[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925687156 634302356 /nfs/dbraw/zinc/30/23/56/634302356.db2.gz ZLBNGWPEOZJVMV-QWRGUYRKSA-N 2 2 216.325 0.237 20 0 BCADLP C[C@H]([NH3+])[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccccc1 ZINC000925702301 634376366 /nfs/dbraw/zinc/37/63/66/634376366.db2.gz NDPQEJCHJQSZFC-FTYKPCCVSA-N 2 2 247.342 0.928 20 0 BCADLP C[C@H](C[NH3+])[N@H+](C)C[C@@H](O)CC(F)(F)F ZINC000307935428 635236950 /nfs/dbraw/zinc/23/69/50/635236950.db2.gz HJSJBGOEXBIKDT-RQJHMYQMSA-N 2 2 214.231 0.579 20 0 BCADLP C[C@H](C[NH3+])[N@@H+](C)C[C@@H](O)CC(F)(F)F ZINC000307935428 635236958 /nfs/dbraw/zinc/23/69/58/635236958.db2.gz HJSJBGOEXBIKDT-RQJHMYQMSA-N 2 2 214.231 0.579 20 0 BCADLP COC(=O)C(C)(C)[NH2+]CC1CC[NH+](C)CC1 ZINC000054241963 636239347 /nfs/dbraw/zinc/23/93/47/636239347.db2.gz LTNYIOGEKDJFTM-UHFFFAOYSA-N 2 2 228.336 0.869 20 0 BCADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000866708618 636930894 /nfs/dbraw/zinc/93/08/94/636930894.db2.gz SDPRICBHIXHJPV-ZWNOBZJWSA-N 2 2 240.347 0.999 20 0 BCADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000866708618 636930903 /nfs/dbraw/zinc/93/09/03/636930903.db2.gz SDPRICBHIXHJPV-ZWNOBZJWSA-N 2 2 240.347 0.999 20 0 BCADLP C[C@H](C(=O)N[C@@H]1CCC[N@H+](CCF)C1)[NH+](C)C ZINC000898502508 637046219 /nfs/dbraw/zinc/04/62/19/637046219.db2.gz CHTFXEJZACZOCV-GHMZBOCLSA-N 2 2 245.342 0.487 20 0 BCADLP C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCF)C1)[NH+](C)C ZINC000898502508 637046224 /nfs/dbraw/zinc/04/62/24/637046224.db2.gz CHTFXEJZACZOCV-GHMZBOCLSA-N 2 2 245.342 0.487 20 0 BCADLP Cc1[nH]c(CNC(=O)Cn2cc[nH+]c2C)[nH+]c1C ZINC000900999335 637224991 /nfs/dbraw/zinc/22/49/91/637224991.db2.gz GAEKCGABKYLNNE-UHFFFAOYSA-N 2 2 247.302 0.848 20 0 BCADLP CC[C@H]1C[N@H+](Cc2ccn(C)n2)CC[C@H]1[NH3+] ZINC000251763991 637346854 /nfs/dbraw/zinc/34/68/54/637346854.db2.gz MBIPFPGZXWFXTD-CMPLNLGQSA-N 2 2 222.336 0.979 20 0 BCADLP CC[C@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@H]1[NH3+] ZINC000251763991 637346861 /nfs/dbraw/zinc/34/68/61/637346861.db2.gz MBIPFPGZXWFXTD-CMPLNLGQSA-N 2 2 222.336 0.979 20 0 BCADLP O[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C[C@H]1F ZINC000903841369 637384932 /nfs/dbraw/zinc/38/49/32/637384932.db2.gz XAHJBYFRGDSVOY-OPRDCNLKSA-N 2 2 202.273 0.001 20 0 BCADLP O[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@H]1F ZINC000903841369 637384934 /nfs/dbraw/zinc/38/49/34/637384934.db2.gz XAHJBYFRGDSVOY-OPRDCNLKSA-N 2 2 202.273 0.001 20 0 BCADLP Cc1nn(C)c2ncc(C[NH2+]CC3([NH3+])CC3)cc12 ZINC000904450723 637416124 /nfs/dbraw/zinc/41/61/24/637416124.db2.gz SECLVDQWYFJNDM-UHFFFAOYSA-N 2 2 245.330 0.858 20 0 BCADLP COC(=O)c1cc(C[NH2+]CC2([NH3+])CC2)c[nH]1 ZINC000904451034 637417789 /nfs/dbraw/zinc/41/77/89/637417789.db2.gz VGTQFYMYVJGAST-UHFFFAOYSA-N 2 2 223.276 0.382 20 0 BCADLP Cn1c[nH+]cc1Cc1noc([C@@]2(C)CCC[NH2+]2)n1 ZINC000904648933 637450836 /nfs/dbraw/zinc/45/08/36/637450836.db2.gz MGIRTVUQIAZGKH-GFCCVEGCSA-N 2 2 247.302 0.993 20 0 BCADLP C[C@@](O)(C[NH2+][C@@H]1CCn2cc[nH+]c2C1)C(F)F ZINC000905217166 637700265 /nfs/dbraw/zinc/70/02/65/637700265.db2.gz HTBYSZILVSWOIY-LDYMZIIASA-N 2 2 245.273 0.804 20 0 BCADLP CC[NH+](CC)Cc1nc(C2([NH3+])CC2)no1 ZINC000905321176 637747745 /nfs/dbraw/zinc/74/77/45/637747745.db2.gz DFLHAPVYCNIOTD-UHFFFAOYSA-N 2 2 210.281 0.859 20 0 BCADLP CC1(C)C[NH2+][C@H]1c1nc(C2([NH3+])CC2)no1 ZINC000905325743 637757393 /nfs/dbraw/zinc/75/73/93/637757393.db2.gz XNMOYYGSSVJRAT-LURJTMIESA-N 2 2 208.265 0.688 20 0 BCADLP [NH3+][C@H](c1nc(C2([NH3+])CC2)no1)C1CCC1 ZINC000905327716 637759859 /nfs/dbraw/zinc/75/98/59/637759859.db2.gz RHGOJPYRPQTGCE-ZETCQYMHSA-N 2 2 208.265 0.817 20 0 BCADLP CN(C)c1cc(N2C[C@@H]3C[C@H]2C[NH2+]3)nc[nH+]1 ZINC000905650192 637870763 /nfs/dbraw/zinc/87/07/63/637870763.db2.gz QARGEUDSJDICIM-IUCAKERBSA-N 2 2 219.292 0.093 20 0 BCADLP O[C@H](C[NH2+]C/C=C/Cl)C[NH+]1CCCC1 ZINC000905709006 637891943 /nfs/dbraw/zinc/89/19/43/637891943.db2.gz UVMHLEQJLJIKMI-HMDXOVGESA-N 2 2 218.728 0.785 20 0 BCADLP CC[C@@](C)([NH3+])c1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905817965 637943495 /nfs/dbraw/zinc/94/34/95/637943495.db2.gz XHGXACUWTPDGDV-GFCCVEGCSA-N 2 2 246.318 0.888 20 0 BCADLP C[C@H](N[C@@H]1CC[N@H+](C)C1)c1c[nH+]ccc1N ZINC000906498760 638174548 /nfs/dbraw/zinc/17/45/48/638174548.db2.gz DTFAWRRIOVOBQP-VHSXEESVSA-N 2 2 220.320 0.849 20 0 BCADLP C[C@H](N[C@@H]1CC[N@@H+](C)C1)c1c[nH+]ccc1N ZINC000906498760 638174550 /nfs/dbraw/zinc/17/45/50/638174550.db2.gz DTFAWRRIOVOBQP-VHSXEESVSA-N 2 2 220.320 0.849 20 0 BCADLP C[C@H]([NH2+][C@@H]1CCN(C)C1)c1c[nH+]ccc1N ZINC000906498760 638174552 /nfs/dbraw/zinc/17/45/52/638174552.db2.gz DTFAWRRIOVOBQP-VHSXEESVSA-N 2 2 220.320 0.849 20 0 BCADLP COC(=O)c1coc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1 ZINC000906516295 638185687 /nfs/dbraw/zinc/18/56/87/638185687.db2.gz BFPGNQQJNBHLHZ-KYZUINATSA-N 2 2 224.260 0.646 20 0 BCADLP C[NH+](C)C1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000908011374 638546905 /nfs/dbraw/zinc/54/69/05/638546905.db2.gz NUSIIXBZTBWMNT-UHFFFAOYSA-N 2 2 222.292 0.161 20 0 BCADLP CC[N@@H+]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000908144386 638581250 /nfs/dbraw/zinc/58/12/50/638581250.db2.gz WMHPFDVKXODISO-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP CC[N@H+]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000908144386 638581254 /nfs/dbraw/zinc/58/12/54/638581254.db2.gz WMHPFDVKXODISO-JTQLQIEISA-N 2 2 236.319 0.505 20 0 BCADLP C[N@@H+]1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC000908348393 638659436 /nfs/dbraw/zinc/65/94/36/638659436.db2.gz OAUVYGXMPXCYNA-KOLCDFICSA-N 2 2 234.303 0.115 20 0 BCADLP C[N@H+]1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC000908348393 638659443 /nfs/dbraw/zinc/65/94/43/638659443.db2.gz OAUVYGXMPXCYNA-KOLCDFICSA-N 2 2 234.303 0.115 20 0 BCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911620055 639683430 /nfs/dbraw/zinc/68/34/30/639683430.db2.gz PAKMFVOTARARCR-UWVGGRQHSA-N 2 2 236.319 0.538 20 0 BCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911620055 639683434 /nfs/dbraw/zinc/68/34/34/639683434.db2.gz PAKMFVOTARARCR-UWVGGRQHSA-N 2 2 236.319 0.538 20 0 BCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[NH2+]CC1 ZINC000911657582 639715145 /nfs/dbraw/zinc/71/51/45/639715145.db2.gz WIKVSMQFRYQFHG-LLVKDONJSA-N 2 2 248.330 0.267 20 0 BCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911674986 639715647 /nfs/dbraw/zinc/71/56/47/639715647.db2.gz ZFDJRFPQCXMCHL-HBNTYKKESA-N 2 2 248.330 0.392 20 0 BCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911673333 639735309 /nfs/dbraw/zinc/73/53/09/639735309.db2.gz LNLMZAXIXFTUOK-ZJUUUORDSA-N 2 2 236.319 0.457 20 0 BCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911673333 639735320 /nfs/dbraw/zinc/73/53/20/639735320.db2.gz LNLMZAXIXFTUOK-ZJUUUORDSA-N 2 2 236.319 0.457 20 0 BCADLP O=C(NCC[NH2+]C1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911756028 639771336 /nfs/dbraw/zinc/77/13/36/639771336.db2.gz WNUUZWJUBSBQFP-SNVBAGLBSA-N 2 2 248.330 0.314 20 0 BCADLP CC[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000911751311 639776546 /nfs/dbraw/zinc/77/65/46/639776546.db2.gz WDOOVEYHSNBQJT-UHFFFAOYSA-N 2 2 232.287 0.902 20 0 BCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000911753484 639781695 /nfs/dbraw/zinc/78/16/95/639781695.db2.gz DJXXOIPNMCHSEI-GHMZBOCLSA-N 2 2 248.330 0.392 20 0 BCADLP C[C@@H]([NH3+])C1CCN(C(=O)C[C@H]([NH3+])C(F)F)CC1 ZINC000911753036 639782003 /nfs/dbraw/zinc/78/20/03/639782003.db2.gz HZRCCMMEQPZYFF-APPZFPTMSA-N 2 2 249.305 0.555 20 0 BCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911781809 639796958 /nfs/dbraw/zinc/79/69/58/639796958.db2.gz AXFHJUUJBGJMRL-KOLCDFICSA-N 2 2 236.319 0.409 20 0 BCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911781809 639796968 /nfs/dbraw/zinc/79/69/68/639796968.db2.gz AXFHJUUJBGJMRL-KOLCDFICSA-N 2 2 236.319 0.409 20 0 BCADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H](C)[NH2+]1 ZINC000911797593 639819781 /nfs/dbraw/zinc/81/97/81/639819781.db2.gz SNWUXJOQUVSVGO-IUCAKERBSA-N 2 2 222.292 0.161 20 0 BCADLP [NH3+]CC1(NC(=O)C[C@@H]([NH3+])C(F)F)CCCC1 ZINC000911798898 639820411 /nfs/dbraw/zinc/82/04/11/639820411.db2.gz CHFSNAANTIUULR-SSDOTTSWSA-N 2 2 235.278 0.357 20 0 BCADLP C[C@@H]1CN(C(=O)C[C@H]([NH3+])C(F)F)C[C@@H](C)[NH2+]1 ZINC000911798659 639821105 /nfs/dbraw/zinc/82/11/05/639821105.db2.gz VUVHINKQYNPLOK-PRJMDXOYSA-N 2 2 235.278 0.178 20 0 BCADLP CCC(CC)(C[NH3+])NC(=O)Cc1[nH]cc[nH+]1 ZINC000911800722 639822117 /nfs/dbraw/zinc/82/21/17/639822117.db2.gz WZGPSZXXNJQNQA-UHFFFAOYSA-N 2 2 224.308 0.586 20 0 BCADLP C[C@](C[NH3+])(NC(=O)C[C@@H]([NH3+])C(F)F)C1CC1 ZINC000911802342 639823662 /nfs/dbraw/zinc/82/36/62/639823662.db2.gz JCYVLGXQXPKZNS-GMSGAONNSA-N 2 2 235.278 0.213 20 0 BCADLP C[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C(F)F)[C@H]1C[NH3+] ZINC000911823369 639837562 /nfs/dbraw/zinc/83/75/62/639837562.db2.gz KBTYEFMAHNUWEK-VGMNWLOBSA-N 2 2 249.305 0.555 20 0 BCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]([NH3+])C(F)F ZINC000911867101 639851863 /nfs/dbraw/zinc/85/18/63/639851863.db2.gz FQRVRDDTLFHQQY-JGVFFNPUSA-N 2 2 235.278 0.179 20 0 BCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000911872224 639854637 /nfs/dbraw/zinc/85/46/37/639854637.db2.gz XKEACOSNWUSISW-JTQLQIEISA-N 2 2 238.335 0.784 20 0 BCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000911847040 639856085 /nfs/dbraw/zinc/85/60/85/639856085.db2.gz SKEFCCNUZJDCEP-MWLCHTKSSA-N 2 2 236.319 0.538 20 0 BCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000911847040 639856088 /nfs/dbraw/zinc/85/60/88/639856088.db2.gz SKEFCCNUZJDCEP-MWLCHTKSSA-N 2 2 236.319 0.538 20 0 BCADLP CCCC[C@@H](C[NH3+])NC(=O)C[C@H]([NH3+])C(F)F ZINC000911880257 639867499 /nfs/dbraw/zinc/86/74/99/639867499.db2.gz LEHHRBCCMZEYOZ-YUMQZZPRSA-N 2 2 237.294 0.603 20 0 BCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](C)C1 ZINC000912306030 640023595 /nfs/dbraw/zinc/02/35/95/640023595.db2.gz FTAPONPWVFAGHS-NSHDSACASA-N 2 2 236.319 0.505 20 0 BCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C)C1 ZINC000912306030 640023600 /nfs/dbraw/zinc/02/36/00/640023600.db2.gz FTAPONPWVFAGHS-NSHDSACASA-N 2 2 236.319 0.505 20 0 BCADLP Cc1[nH]c(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)c(C)[nH+]1 ZINC000931053683 640042406 /nfs/dbraw/zinc/04/24/06/640042406.db2.gz BSASECVIWPDUNT-CMPLNLGQSA-N 2 2 239.319 0.344 20 0 BCADLP Cc1[nH]c(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)c(C)[nH+]1 ZINC000931053683 640042407 /nfs/dbraw/zinc/04/24/07/640042407.db2.gz BSASECVIWPDUNT-CMPLNLGQSA-N 2 2 239.319 0.344 20 0 BCADLP CNC(=O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277020 640123739 /nfs/dbraw/zinc/12/37/39/640123739.db2.gz FHGBLPLMBGBEII-IAZYJMLFSA-N 2 2 225.336 0.004 20 0 BCADLP CNC(=O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277020 640123743 /nfs/dbraw/zinc/12/37/43/640123743.db2.gz FHGBLPLMBGBEII-IAZYJMLFSA-N 2 2 225.336 0.004 20 0 BCADLP CN1CCC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931278416 640130077 /nfs/dbraw/zinc/13/00/77/640130077.db2.gz CHGCVTDKEOPXMP-KXNHARMFSA-N 2 2 237.347 0.099 20 0 BCADLP CN1CCC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931278416 640130081 /nfs/dbraw/zinc/13/00/81/640130081.db2.gz CHGCVTDKEOPXMP-KXNHARMFSA-N 2 2 237.347 0.099 20 0 BCADLP COCCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277564 640130897 /nfs/dbraw/zinc/13/08/97/640130897.db2.gz LLPMHSKEWPJNJW-GDNZZTSVSA-N 2 2 228.336 0.141 20 0 BCADLP COCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277564 640130900 /nfs/dbraw/zinc/13/09/00/640130900.db2.gz LLPMHSKEWPJNJW-GDNZZTSVSA-N 2 2 228.336 0.141 20 0 BCADLP CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931281050 640132879 /nfs/dbraw/zinc/13/28/79/640132879.db2.gz MSFGFOQLXKYTKO-KXNHARMFSA-N 2 2 237.347 0.099 20 0 BCADLP CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931281050 640132887 /nfs/dbraw/zinc/13/28/87/640132887.db2.gz MSFGFOQLXKYTKO-KXNHARMFSA-N 2 2 237.347 0.099 20 0 BCADLP COCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931304704 640144016 /nfs/dbraw/zinc/14/40/16/640144016.db2.gz QAGMDIREFHMDRE-TXEJJXNPSA-N 2 2 212.337 0.906 20 0 BCADLP COCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931304704 640144018 /nfs/dbraw/zinc/14/40/18/640144018.db2.gz QAGMDIREFHMDRE-TXEJJXNPSA-N 2 2 212.337 0.906 20 0 BCADLP COCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931304704 640144024 /nfs/dbraw/zinc/14/40/24/640144024.db2.gz QAGMDIREFHMDRE-TXEJJXNPSA-N 2 2 212.337 0.906 20 0 BCADLP COCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931304704 640144027 /nfs/dbraw/zinc/14/40/27/640144027.db2.gz QAGMDIREFHMDRE-TXEJJXNPSA-N 2 2 212.337 0.906 20 0 BCADLP C[N@@H+]1C[C@]2(C)C[NH+](CCn3cncn3)C[C@]2(C)C1 ZINC000931305124 640144546 /nfs/dbraw/zinc/14/45/46/640144546.db2.gz AUHYNJXLOCZQLC-BETUJISGSA-N 2 2 249.362 0.552 20 0 BCADLP C[N@H+]1C[C@]2(C)C[NH+](CCn3cncn3)C[C@]2(C)C1 ZINC000931305124 640144559 /nfs/dbraw/zinc/14/45/59/640144559.db2.gz AUHYNJXLOCZQLC-BETUJISGSA-N 2 2 249.362 0.552 20 0 BCADLP C[NH+]1C[C@]2(C)C[N@H+](CCn3cncn3)C[C@]2(C)C1 ZINC000931305124 640144564 /nfs/dbraw/zinc/14/45/64/640144564.db2.gz AUHYNJXLOCZQLC-BETUJISGSA-N 2 2 249.362 0.552 20 0 BCADLP C[NH+]1C[C@]2(C)C[N@@H+](CCn3cncn3)C[C@]2(C)C1 ZINC000931305124 640144571 /nfs/dbraw/zinc/14/45/71/640144571.db2.gz AUHYNJXLOCZQLC-BETUJISGSA-N 2 2 249.362 0.552 20 0 BCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+]1CCOCC1 ZINC000931390767 640173774 /nfs/dbraw/zinc/17/37/74/640173774.db2.gz MAIQCUMQNZBECK-BETUJISGSA-N 2 2 239.363 0.097 20 0 BCADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+]1CCOCC1 ZINC000931390767 640173775 /nfs/dbraw/zinc/17/37/75/640173775.db2.gz MAIQCUMQNZBECK-BETUJISGSA-N 2 2 239.363 0.097 20 0 BCADLP Cn1c[nH+]cc1CN1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000931395180 640176336 /nfs/dbraw/zinc/17/63/36/640176336.db2.gz KUWQXYMMHAMRSK-PHIMTYICSA-N 2 2 220.320 0.699 20 0 BCADLP Cn1c[nH+]cc1CN1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000931395180 640176341 /nfs/dbraw/zinc/17/63/41/640176341.db2.gz KUWQXYMMHAMRSK-PHIMTYICSA-N 2 2 220.320 0.699 20 0 BCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912900224 640230463 /nfs/dbraw/zinc/23/04/63/640230463.db2.gz IFXAJWJJISCPAW-NSHDSACASA-N 2 2 234.303 0.259 20 0 BCADLP CC[C@@H](CO)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931516899 640245770 /nfs/dbraw/zinc/24/57/70/640245770.db2.gz QWHFBKLTGNWFAJ-VIFPVBQESA-N 2 2 221.304 0.793 20 0 BCADLP CC[C@@H](CO)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931516899 640245779 /nfs/dbraw/zinc/24/57/79/640245779.db2.gz QWHFBKLTGNWFAJ-VIFPVBQESA-N 2 2 221.304 0.793 20 0 BCADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cnnn1C ZINC000924852603 640272640 /nfs/dbraw/zinc/27/26/40/640272640.db2.gz KGYVJNZFQURXIX-NXEZZACHSA-N 2 2 225.340 0.806 20 0 BCADLP COCC(COC)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719320 640334169 /nfs/dbraw/zinc/33/41/69/640334169.db2.gz JSTWULVSUOIDSV-NEPJUHHUSA-N 2 2 242.363 0.816 20 0 BCADLP COCC(COC)[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719320 640334173 /nfs/dbraw/zinc/33/41/73/640334173.db2.gz JSTWULVSUOIDSV-NEPJUHHUSA-N 2 2 242.363 0.816 20 0 BCADLP COCC(COC)[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931719320 640334175 /nfs/dbraw/zinc/33/41/75/640334175.db2.gz JSTWULVSUOIDSV-NEPJUHHUSA-N 2 2 242.363 0.816 20 0 BCADLP COCC(COC)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931719320 640334179 /nfs/dbraw/zinc/33/41/79/640334179.db2.gz JSTWULVSUOIDSV-NEPJUHHUSA-N 2 2 242.363 0.816 20 0 BCADLP CCC1([NH+]2CCC2)CC[NH+](C[C@H](O)CO)CC1 ZINC000931752711 640349776 /nfs/dbraw/zinc/34/97/76/640349776.db2.gz NTCXNSYWFSTRLP-LBPRGKRZSA-N 2 2 242.363 0.290 20 0 BCADLP C[NH+](C)C1CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC000151312581 640361229 /nfs/dbraw/zinc/36/12/29/640361229.db2.gz STJJVZZRCFSYDR-LLVKDONJSA-N 2 2 240.347 0.966 20 0 BCADLP CC[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001030301653 640738107 /nfs/dbraw/zinc/73/81/07/640738107.db2.gz LLPSGCGPXFYWSK-LBPRGKRZSA-N 2 2 239.363 0.680 20 0 BCADLP CC[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001030301653 640738108 /nfs/dbraw/zinc/73/81/08/640738108.db2.gz LLPSGCGPXFYWSK-LBPRGKRZSA-N 2 2 239.363 0.680 20 0 BCADLP C[N@@H+]1C[C@@H]2C[NH+](CCn3ccnc3)C[C@]2(C)C1 ZINC000933736196 640756034 /nfs/dbraw/zinc/75/60/34/640756034.db2.gz SIQLFQQJSPUMFA-OLZOCXBDSA-N 2 2 234.347 0.767 20 0 BCADLP C[N@H+]1C[C@@H]2C[NH+](CCn3ccnc3)C[C@]2(C)C1 ZINC000933736196 640756039 /nfs/dbraw/zinc/75/60/39/640756039.db2.gz SIQLFQQJSPUMFA-OLZOCXBDSA-N 2 2 234.347 0.767 20 0 BCADLP C[NH+]1C[C@@H]2C[N@H+](CCn3ccnc3)C[C@]2(C)C1 ZINC000933736196 640756042 /nfs/dbraw/zinc/75/60/42/640756042.db2.gz SIQLFQQJSPUMFA-OLZOCXBDSA-N 2 2 234.347 0.767 20 0 BCADLP C[NH+]1C[C@@H]2C[N@@H+](CCn3ccnc3)C[C@]2(C)C1 ZINC000933736196 640756044 /nfs/dbraw/zinc/75/60/44/640756044.db2.gz SIQLFQQJSPUMFA-OLZOCXBDSA-N 2 2 234.347 0.767 20 0 BCADLP Cn1cc(CC[N@@H+]2CCCC[C@@H]2C[NH3+])cn1 ZINC000226419043 640762089 /nfs/dbraw/zinc/76/20/89/640762089.db2.gz MYXWYQSTZJLCCF-GFCCVEGCSA-N 2 2 222.336 0.776 20 0 BCADLP Cn1cc(CC[N@H+]2CCCC[C@@H]2C[NH3+])cn1 ZINC000226419043 640762092 /nfs/dbraw/zinc/76/20/92/640762092.db2.gz MYXWYQSTZJLCCF-GFCCVEGCSA-N 2 2 222.336 0.776 20 0 BCADLP [NH3+]C[C@H]1C[N@H+](CCCCCCO)CCO1 ZINC000228782647 640895056 /nfs/dbraw/zinc/89/50/56/640895056.db2.gz CYCNLZOFVDFLCO-NSHDSACASA-N 2 2 216.325 0.199 20 0 BCADLP [NH3+]C[C@H]1C[N@@H+](CCCCCCO)CCO1 ZINC000228782647 640895058 /nfs/dbraw/zinc/89/50/58/640895058.db2.gz CYCNLZOFVDFLCO-NSHDSACASA-N 2 2 216.325 0.199 20 0 BCADLP Cc1cnc(C[N@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000061321532 640952579 /nfs/dbraw/zinc/95/25/79/640952579.db2.gz WDWRYORVVDUMPI-SNVBAGLBSA-N 2 2 206.293 0.566 20 0 BCADLP Cc1cnc(C[N@@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000061321532 640952572 /nfs/dbraw/zinc/95/25/72/640952572.db2.gz WDWRYORVVDUMPI-SNVBAGLBSA-N 2 2 206.293 0.566 20 0 BCADLP COCC[N@@H+](C)CCNC(=[NH2+])NC(C)C ZINC000061399649 640959193 /nfs/dbraw/zinc/95/91/93/640959193.db2.gz BXXRBHVVFQDOEZ-UHFFFAOYSA-N 2 2 216.329 0.087 20 0 BCADLP COCC[N@H+](C)CCNC(=[NH2+])NC(C)C ZINC000061399649 640959189 /nfs/dbraw/zinc/95/91/89/640959189.db2.gz BXXRBHVVFQDOEZ-UHFFFAOYSA-N 2 2 216.329 0.087 20 0 BCADLP C[C@H](C[NH2+]CCS(C)(=O)=O)C[NH+]1CCCC1 ZINC000062071075 641020195 /nfs/dbraw/zinc/02/01/95/641020195.db2.gz OMYSMHUUHMQJMT-LLVKDONJSA-N 2 2 248.392 0.353 20 0 BCADLP CO[C@@H]1CC[C@@H]1[N@H+](C)CCn1cc[nH+]c1 ZINC000934114656 641080342 /nfs/dbraw/zinc/08/03/42/641080342.db2.gz KWEMWPGSBSUMRG-WDEREUQCSA-N 2 2 209.293 0.992 20 0 BCADLP CO[C@@H]1CC[C@@H]1[N@@H+](C)CCn1cc[nH+]c1 ZINC000934114656 641080346 /nfs/dbraw/zinc/08/03/46/641080346.db2.gz KWEMWPGSBSUMRG-WDEREUQCSA-N 2 2 209.293 0.992 20 0 BCADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934569690 641198976 /nfs/dbraw/zinc/19/89/76/641198976.db2.gz YWQSAMDJVFXTMV-NWDGAFQWSA-N 2 2 241.310 0.986 20 0 BCADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934569690 641198980 /nfs/dbraw/zinc/19/89/80/641198980.db2.gz YWQSAMDJVFXTMV-NWDGAFQWSA-N 2 2 241.310 0.986 20 0 BCADLP C1CC1[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000232460432 641286453 /nfs/dbraw/zinc/28/64/53/641286453.db2.gz REQWMNUGJIAYLP-UTUOFQBUSA-N 2 2 210.321 0.896 20 0 BCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC000913760942 641467917 /nfs/dbraw/zinc/46/79/17/641467917.db2.gz UJWGLDYEHQOEMF-ZYHUDNBSSA-N 2 2 248.330 0.505 20 0 BCADLP CCC[C@@](C)([NH3+])C(=O)NCCc1[nH]cc[nH+]1 ZINC000158550042 641639968 /nfs/dbraw/zinc/63/99/68/641639968.db2.gz AONBSRCPBKMMCL-LLVKDONJSA-N 2 2 224.308 0.586 20 0 BCADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](CC)C1 ZINC000949780481 641860942 /nfs/dbraw/zinc/86/09/42/641860942.db2.gz NGUNRNHUNMKKJW-GFCCVEGCSA-N 2 2 239.363 0.633 20 0 BCADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](CC)C1 ZINC000949780481 641860948 /nfs/dbraw/zinc/86/09/48/641860948.db2.gz NGUNRNHUNMKKJW-GFCCVEGCSA-N 2 2 239.363 0.633 20 0 BCADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444789571 642186606 /nfs/dbraw/zinc/18/66/06/642186606.db2.gz FELAWVGXLUNHKD-NXEZZACHSA-N 2 2 236.319 0.473 20 0 BCADLP C[C@H](C(N)=O)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444789571 642186614 /nfs/dbraw/zinc/18/66/14/642186614.db2.gz FELAWVGXLUNHKD-NXEZZACHSA-N 2 2 236.319 0.473 20 0 BCADLP O=C(Cn1cc[nH+]c1)NC1C[NH+](CC2CCC2)C1 ZINC001031476879 642198713 /nfs/dbraw/zinc/19/87/13/642198713.db2.gz JXXUOXOXSKFLSX-UHFFFAOYSA-N 2 2 248.330 0.484 20 0 BCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CC(C)C ZINC000381108496 642500175 /nfs/dbraw/zinc/50/01/75/642500175.db2.gz ZJSYLXDUNFQTSK-GFCCVEGCSA-N 2 2 232.368 0.513 20 0 BCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CC(C)C ZINC000381108496 642500182 /nfs/dbraw/zinc/50/01/82/642500182.db2.gz ZJSYLXDUNFQTSK-GFCCVEGCSA-N 2 2 232.368 0.513 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CC(C)C ZINC000381108496 642500190 /nfs/dbraw/zinc/50/01/90/642500190.db2.gz ZJSYLXDUNFQTSK-GFCCVEGCSA-N 2 2 232.368 0.513 20 0 BCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CC(C)C ZINC000381108496 642500200 /nfs/dbraw/zinc/50/02/00/642500200.db2.gz ZJSYLXDUNFQTSK-GFCCVEGCSA-N 2 2 232.368 0.513 20 0 BCADLP C[NH+](C)CCC[NH2+]Cc1cnn(CCF)c1 ZINC000921474054 642633620 /nfs/dbraw/zinc/63/36/20/642633620.db2.gz LOFXXEBJNADJEI-UHFFFAOYSA-N 2 2 228.315 0.894 20 0 BCADLP CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961891080 642708853 /nfs/dbraw/zinc/70/88/53/642708853.db2.gz RTYIAZCAHZMGKW-PJXYFTJBSA-N 2 2 248.330 0.409 20 0 BCADLP CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961891080 642708857 /nfs/dbraw/zinc/70/88/57/642708857.db2.gz RTYIAZCAHZMGKW-PJXYFTJBSA-N 2 2 248.330 0.409 20 0 BCADLP CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963023555 642738541 /nfs/dbraw/zinc/73/85/41/642738541.db2.gz SKFUJOVPQUZCBG-PJXYFTJBSA-N 2 2 248.330 0.340 20 0 BCADLP CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963023555 642738543 /nfs/dbraw/zinc/73/85/43/642738543.db2.gz SKFUJOVPQUZCBG-PJXYFTJBSA-N 2 2 248.330 0.340 20 0 BCADLP CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963019684 642738811 /nfs/dbraw/zinc/73/88/11/642738811.db2.gz NDIIYBWWXUHGNN-PJXYFTJBSA-N 2 2 248.330 0.338 20 0 BCADLP CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963019684 642738821 /nfs/dbraw/zinc/73/88/21/642738821.db2.gz NDIIYBWWXUHGNN-PJXYFTJBSA-N 2 2 248.330 0.338 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCC[S@](C)=O)CC[N@@H+]1C ZINC000252713060 642892732 /nfs/dbraw/zinc/89/27/32/642892732.db2.gz OFGVQYIYCOQWNW-HFAKWTLXSA-N 2 2 232.393 0.827 20 0 BCADLP C[C@@H]1C[C@H]([NH2+]CCC[S@](C)=O)CC[N@H+]1C ZINC000252713060 642892734 /nfs/dbraw/zinc/89/27/34/642892734.db2.gz OFGVQYIYCOQWNW-HFAKWTLXSA-N 2 2 232.393 0.827 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000069626926 642886964 /nfs/dbraw/zinc/88/69/64/642886964.db2.gz ZKQQEEWLKWREHS-LPEHRKFASA-N 2 2 212.293 0.361 20 0 BCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000069626926 642886967 /nfs/dbraw/zinc/88/69/67/642886967.db2.gz ZKQQEEWLKWREHS-LPEHRKFASA-N 2 2 212.293 0.361 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2)CC[N@@H+]1C ZINC000252208577 642887985 /nfs/dbraw/zinc/88/79/85/642887985.db2.gz XPPADZHVTXIMON-WOPDTQHZSA-N 2 2 211.353 0.763 20 0 BCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2)CC[N@H+]1C ZINC000252208577 642887989 /nfs/dbraw/zinc/88/79/89/642887989.db2.gz XPPADZHVTXIMON-WOPDTQHZSA-N 2 2 211.353 0.763 20 0 BCADLP C[N@H+](CC1OCCO1)C[C@H]1CCC[NH+](C)C1 ZINC000182343132 642999213 /nfs/dbraw/zinc/99/92/13/642999213.db2.gz HKBSQJUECPKBQP-NSHDSACASA-N 2 2 228.336 0.633 20 0 BCADLP C[N@@H+](CC1OCCO1)C[C@H]1CCC[NH+](C)C1 ZINC000182343132 642999220 /nfs/dbraw/zinc/99/92/20/642999220.db2.gz HKBSQJUECPKBQP-NSHDSACASA-N 2 2 228.336 0.633 20 0 BCADLP C[NH+](CC1OCCO1)C[C@H]1CCC[N@H+](C)C1 ZINC000182343132 642999230 /nfs/dbraw/zinc/99/92/30/642999230.db2.gz HKBSQJUECPKBQP-NSHDSACASA-N 2 2 228.336 0.633 20 0 BCADLP C[NH+](CC1OCCO1)C[C@H]1CCC[N@@H+](C)C1 ZINC000182343132 642999234 /nfs/dbraw/zinc/99/92/34/642999234.db2.gz HKBSQJUECPKBQP-NSHDSACASA-N 2 2 228.336 0.633 20 0 BCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CC2CC2)C1 ZINC001019437718 643034590 /nfs/dbraw/zinc/03/45/90/643034590.db2.gz XOWRNUZQXACCEL-NSHDSACASA-N 2 2 248.330 0.553 20 0 BCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]CCF)C1 ZINC001019867733 643044494 /nfs/dbraw/zinc/04/44/94/643044494.db2.gz HQUDAFKIOGZULT-JTQLQIEISA-N 2 2 240.282 0.043 20 0 BCADLP COC(OC)[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000070622329 643049309 /nfs/dbraw/zinc/04/93/09/643049309.db2.gz NVHKGAPMKGWOJK-SECBINFHSA-N 2 2 216.325 0.678 20 0 BCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(F)nc1 ZINC000189167161 643072732 /nfs/dbraw/zinc/07/27/32/643072732.db2.gz PFXPZZZQOWYJPF-LBPRGKRZSA-N 2 2 241.310 0.623 20 0 BCADLP CCC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001021130595 643407358 /nfs/dbraw/zinc/40/73/58/643407358.db2.gz ZOCJMSLXXWIIBL-XYPYZODXSA-N 2 2 236.319 0.530 20 0 BCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]CC2CC2)C1 ZINC000970344425 643417301 /nfs/dbraw/zinc/41/73/01/643417301.db2.gz ZEVIGXGGGRPUGG-LLVKDONJSA-N 2 2 248.330 0.553 20 0 BCADLP CC[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000997123051 643586100 /nfs/dbraw/zinc/58/61/00/643586100.db2.gz FQZZLSAMHVEDAD-UHFFFAOYSA-N 2 2 236.319 0.553 20 0 BCADLP CC[N@@H+]1CC[C@H]1CNC(=O)CNc1cccc[nH+]1 ZINC000922155981 643875418 /nfs/dbraw/zinc/87/54/18/643875418.db2.gz IPKLJEAIPMSIIC-NSHDSACASA-N 2 2 248.330 0.704 20 0 BCADLP CC[N@H+]1CC[C@H]1CNC(=O)CNc1cccc[nH+]1 ZINC000922155981 643875421 /nfs/dbraw/zinc/87/54/21/643875421.db2.gz IPKLJEAIPMSIIC-NSHDSACASA-N 2 2 248.330 0.704 20 0 BCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000922159916 643879908 /nfs/dbraw/zinc/87/99/08/643879908.db2.gz RCAJRWCKGKTJPI-SNVBAGLBSA-N 2 2 222.292 0.094 20 0 BCADLP CC[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000922159916 643879912 /nfs/dbraw/zinc/87/99/12/643879912.db2.gz RCAJRWCKGKTJPI-SNVBAGLBSA-N 2 2 222.292 0.094 20 0 BCADLP C[N@H+](C[C@@H](O)C(F)(F)F)CC(C)(C)C[NH3+] ZINC000086638158 644159321 /nfs/dbraw/zinc/15/93/21/644159321.db2.gz UQACEQKCCXIMBH-SSDOTTSWSA-N 2 2 228.258 0.826 20 0 BCADLP C[N@@H+](C[C@@H](O)C(F)(F)F)CC(C)(C)C[NH3+] ZINC000086638158 644159324 /nfs/dbraw/zinc/15/93/24/644159324.db2.gz UQACEQKCCXIMBH-SSDOTTSWSA-N 2 2 228.258 0.826 20 0 BCADLP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000923274040 644306466 /nfs/dbraw/zinc/30/64/66/644306466.db2.gz FVKCAVTXKVPPGZ-GHMZBOCLSA-N 2 2 216.325 0.053 20 0 BCADLP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000923274040 644306475 /nfs/dbraw/zinc/30/64/75/644306475.db2.gz FVKCAVTXKVPPGZ-GHMZBOCLSA-N 2 2 216.325 0.053 20 0 BCADLP CC(C)COC[C@H](O)C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000923280188 644310822 /nfs/dbraw/zinc/31/08/22/644310822.db2.gz HSVTZZSAUWGSQI-CHWSQXEVSA-N 2 2 244.379 0.833 20 0 BCADLP CC(C)COC[C@H](O)C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000923280188 644310827 /nfs/dbraw/zinc/31/08/27/644310827.db2.gz HSVTZZSAUWGSQI-CHWSQXEVSA-N 2 2 244.379 0.833 20 0 BCADLP CCOCC[C@@H](O)C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000923279713 644312653 /nfs/dbraw/zinc/31/26/53/644312653.db2.gz BMSKIFOYGPUHLL-WDEREUQCSA-N 2 2 216.325 0.197 20 0 BCADLP CCOCC[C@@H](O)C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000923279713 644312656 /nfs/dbraw/zinc/31/26/56/644312656.db2.gz BMSKIFOYGPUHLL-WDEREUQCSA-N 2 2 216.325 0.197 20 0 BCADLP COC(=O)c1cncc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000923282218 644314235 /nfs/dbraw/zinc/31/42/35/644314235.db2.gz SWEFYLXQDWZAMT-SNVBAGLBSA-N 2 2 249.314 0.649 20 0 BCADLP COC(=O)c1cncc(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000923282218 644314237 /nfs/dbraw/zinc/31/42/37/644314237.db2.gz SWEFYLXQDWZAMT-SNVBAGLBSA-N 2 2 249.314 0.649 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000923280975 644314926 /nfs/dbraw/zinc/31/49/26/644314926.db2.gz MOZUYBIPYFOTQP-RYUDHWBXSA-N 2 2 238.335 0.057 20 0 BCADLP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000923280975 644314934 /nfs/dbraw/zinc/31/49/34/644314934.db2.gz MOZUYBIPYFOTQP-RYUDHWBXSA-N 2 2 238.335 0.057 20 0 BCADLP CCOCC[C@@H](O)C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000923280466 644315884 /nfs/dbraw/zinc/31/58/84/644315884.db2.gz IVAHTPYCBHBPSC-NWDGAFQWSA-N 2 2 230.352 0.587 20 0 BCADLP CCOCC[C@@H](O)C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000923280466 644315887 /nfs/dbraw/zinc/31/58/87/644315887.db2.gz IVAHTPYCBHBPSC-NWDGAFQWSA-N 2 2 230.352 0.587 20 0 BCADLP CC(C)OCC[C@H](O)C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000923282056 644316262 /nfs/dbraw/zinc/31/62/62/644316262.db2.gz UIRMGWBDGLXIBS-STQMWFEESA-N 2 2 244.379 0.976 20 0 BCADLP CC(C)OCC[C@H](O)C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000923282056 644316263 /nfs/dbraw/zinc/31/62/63/644316263.db2.gz UIRMGWBDGLXIBS-STQMWFEESA-N 2 2 244.379 0.976 20 0 BCADLP CC(C)OCC[C@H](O)C[N@H+](C)[C@H](C)C[NH3+] ZINC000923291509 644317036 /nfs/dbraw/zinc/31/70/36/644317036.db2.gz SYBZSSHLJLZJAV-MNOVXSKESA-N 2 2 218.341 0.441 20 0 BCADLP CC(C)OCC[C@H](O)C[N@@H+](C)[C@H](C)C[NH3+] ZINC000923291509 644317037 /nfs/dbraw/zinc/31/70/37/644317037.db2.gz SYBZSSHLJLZJAV-MNOVXSKESA-N 2 2 218.341 0.441 20 0 BCADLP C[C@H]1C[N@H+](CCC[NH2+]C2CC2)CC[C@@H]1[NH3+] ZINC000923289321 644322781 /nfs/dbraw/zinc/32/27/81/644322781.db2.gz GXWHWCBWVBXNLH-JQWIXIFHSA-N 3 2 211.353 0.798 20 0 BCADLP C[C@H]1C[N@@H+](CCC[NH2+]C2CC2)CC[C@@H]1[NH3+] ZINC000923289321 644322784 /nfs/dbraw/zinc/32/27/84/644322784.db2.gz GXWHWCBWVBXNLH-JQWIXIFHSA-N 3 2 211.353 0.798 20 0 BCADLP CC(C)COC[C@@H](O)C[N@H+](C)[C@@H](C)C[NH3+] ZINC000923289456 644324693 /nfs/dbraw/zinc/32/46/93/644324693.db2.gz IWSJJLQPHMEMPT-QWRGUYRKSA-N 2 2 218.341 0.299 20 0 BCADLP CC(C)COC[C@@H](O)C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000923289456 644324697 /nfs/dbraw/zinc/32/46/97/644324697.db2.gz IWSJJLQPHMEMPT-QWRGUYRKSA-N 2 2 218.341 0.299 20 0 BCADLP CCOCC[C@H](O)C[N@@H+]1CCC[C@@H]1C[NH2+]C ZINC000923295443 644332776 /nfs/dbraw/zinc/33/27/76/644332776.db2.gz WSTCNUNCKRHODE-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP CCOCC[C@H](O)C[N@H+]1CCC[C@@H]1C[NH2+]C ZINC000923295443 644332784 /nfs/dbraw/zinc/33/27/84/644332784.db2.gz WSTCNUNCKRHODE-NEPJUHHUSA-N 2 2 230.352 0.458 20 0 BCADLP C[C@](C[NH3+])([NH2+]C[C@H](O)C(F)(F)F)C1CC1 ZINC000923295444 644333083 /nfs/dbraw/zinc/33/30/83/644333083.db2.gz APLKXTSEXNVUFF-JGVFFNPUSA-N 2 2 226.242 0.627 20 0 BCADLP Cc1noc(C)c1C[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923304980 644341020 /nfs/dbraw/zinc/34/10/20/644341020.db2.gz DRFZAFQPOJSECV-DLOVCJGASA-N 2 2 239.319 0.574 20 0 BCADLP Cc1noc(C)c1C[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923304980 644341022 /nfs/dbraw/zinc/34/10/22/644341022.db2.gz DRFZAFQPOJSECV-DLOVCJGASA-N 2 2 239.319 0.574 20 0 BCADLP CC(C)CC[C@H](O)C[N@H+](CC[NH3+])CCO ZINC000923330548 644348330 /nfs/dbraw/zinc/34/83/30/644348330.db2.gz ADSBQLWESNZKDY-NSHDSACASA-N 2 2 218.341 0.037 20 0 BCADLP CC(C)CC[C@H](O)C[N@@H+](CC[NH3+])CCO ZINC000923330548 644348335 /nfs/dbraw/zinc/34/83/35/644348335.db2.gz ADSBQLWESNZKDY-NSHDSACASA-N 2 2 218.341 0.037 20 0 BCADLP CCOCC[C@@H](O)C[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000923329394 644348588 /nfs/dbraw/zinc/34/85/88/644348588.db2.gz IFSBBBYTBAHWTC-CHWSQXEVSA-N 2 2 242.363 0.600 20 0 BCADLP CCOCC[C@@H](O)C[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000923329394 644348592 /nfs/dbraw/zinc/34/85/92/644348592.db2.gz IFSBBBYTBAHWTC-CHWSQXEVSA-N 2 2 242.363 0.600 20 0 BCADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@@H](O)C(F)(F)F ZINC000923368817 644382019 /nfs/dbraw/zinc/38/20/19/644382019.db2.gz UBWCZGFLERTROT-RNFRBKRXSA-N 2 2 228.258 0.873 20 0 BCADLP CCC[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923370147 644381555 /nfs/dbraw/zinc/38/15/55/644381555.db2.gz CMENYPNRPRHXFZ-USZNOCQGSA-N 2 2 228.336 0.338 20 0 BCADLP CCC[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923370147 644381560 /nfs/dbraw/zinc/38/15/60/644381560.db2.gz CMENYPNRPRHXFZ-USZNOCQGSA-N 2 2 228.336 0.338 20 0 BCADLP CCOCC[C@H](O)C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923381746 644393466 /nfs/dbraw/zinc/39/34/66/644393466.db2.gz WGPKZLUMPUOKPR-STQMWFEESA-N 2 2 242.363 0.602 20 0 BCADLP CCOCC[C@H](O)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923381746 644393475 /nfs/dbraw/zinc/39/34/75/644393475.db2.gz WGPKZLUMPUOKPR-STQMWFEESA-N 2 2 242.363 0.602 20 0 BCADLP C[N@H+](CC[NH3+])C[C@H](O)CCc1ccccc1 ZINC000923380514 644393533 /nfs/dbraw/zinc/39/35/33/644393533.db2.gz XOAFLRLSYPMZEV-CYBMUJFWSA-N 2 2 222.332 0.871 20 0 BCADLP C[N@@H+](CC[NH3+])C[C@H](O)CCc1ccccc1 ZINC000923380514 644393537 /nfs/dbraw/zinc/39/35/37/644393537.db2.gz XOAFLRLSYPMZEV-CYBMUJFWSA-N 2 2 222.332 0.871 20 0 BCADLP CCOCC[C@H](O)C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000923381743 644394832 /nfs/dbraw/zinc/39/48/32/644394832.db2.gz WGPKZLUMPUOKPR-QWHCGFSZSA-N 2 2 242.363 0.602 20 0 BCADLP CCOCC[C@H](O)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000923381743 644394834 /nfs/dbraw/zinc/39/48/34/644394834.db2.gz WGPKZLUMPUOKPR-QWHCGFSZSA-N 2 2 242.363 0.602 20 0 BCADLP C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)CC(C)(C)[NH3+] ZINC000923386597 644397818 /nfs/dbraw/zinc/39/78/18/644397818.db2.gz PHLMZZPFJMCGND-SNVBAGLBSA-N 3 2 227.352 0.034 20 0 BCADLP C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)CC(C)(C)[NH3+] ZINC000923386597 644397828 /nfs/dbraw/zinc/39/78/28/644397828.db2.gz PHLMZZPFJMCGND-SNVBAGLBSA-N 3 2 227.352 0.034 20 0 BCADLP [NH3+]CC12CCC(CC1)C[N@@H+]2[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923392269 644399974 /nfs/dbraw/zinc/39/99/74/644399974.db2.gz JPENENANOHKHIZ-MAHHCSCLSA-N 3 2 239.363 0.040 20 0 BCADLP [NH3+]CC12CCC(CC1)C[N@H+]2[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923392269 644399977 /nfs/dbraw/zinc/39/99/77/644399977.db2.gz JPENENANOHKHIZ-MAHHCSCLSA-N 3 2 239.363 0.040 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923393459 644401093 /nfs/dbraw/zinc/40/10/93/644401093.db2.gz QWLUHSJGCOTODA-QWRGUYRKSA-N 3 2 211.353 0.940 20 0 BCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC[NH2+]C1CC1 ZINC000923393459 644401099 /nfs/dbraw/zinc/40/10/99/644401099.db2.gz QWLUHSJGCOTODA-QWRGUYRKSA-N 3 2 211.353 0.940 20 0 BCADLP [NH3+][C@]12CCC[C@H]1C[N@H+](CCO[C@H]1CCOC1)C2 ZINC000923399374 644405162 /nfs/dbraw/zinc/40/51/62/644405162.db2.gz QZJZMUICRWNCIW-AVGNSLFASA-N 2 2 240.347 0.605 20 0 BCADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCO[C@H]1CCOC1)C2 ZINC000923399374 644405165 /nfs/dbraw/zinc/40/51/65/644405165.db2.gz QZJZMUICRWNCIW-AVGNSLFASA-N 2 2 240.347 0.605 20 0 BCADLP CCOCCOCC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000923411532 644414316 /nfs/dbraw/zinc/41/43/16/644414316.db2.gz CMWJFKGAEUOBEY-QWRGUYRKSA-N 2 2 216.325 0.461 20 0 BCADLP CCOCCOCC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000923411532 644414322 /nfs/dbraw/zinc/41/43/22/644414322.db2.gz CMWJFKGAEUOBEY-QWRGUYRKSA-N 2 2 216.325 0.461 20 0 BCADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000923410181 644412489 /nfs/dbraw/zinc/41/24/89/644412489.db2.gz KXYAWBDBCHZKOG-AAEUAGOBSA-N 2 2 222.332 0.869 20 0 BCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000923410181 644412492 /nfs/dbraw/zinc/41/24/92/644412492.db2.gz KXYAWBDBCHZKOG-AAEUAGOBSA-N 2 2 222.332 0.869 20 0 BCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000923411241 644413820 /nfs/dbraw/zinc/41/38/20/644413820.db2.gz AXANPBVPYAUMAE-IJLUTSLNSA-N 2 2 230.352 0.441 20 0 BCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000923411241 644413823 /nfs/dbraw/zinc/41/38/23/644413823.db2.gz AXANPBVPYAUMAE-IJLUTSLNSA-N 2 2 230.352 0.441 20 0 BCADLP CCOCC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000923412912 644414423 /nfs/dbraw/zinc/41/44/23/644414423.db2.gz KVQVTTNQJGJOJH-VWYCJHECSA-N 2 2 216.325 0.195 20 0 BCADLP CCOCC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000923412912 644414429 /nfs/dbraw/zinc/41/44/29/644414429.db2.gz KVQVTTNQJGJOJH-VWYCJHECSA-N 2 2 216.325 0.195 20 0 BCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000923411240 644415295 /nfs/dbraw/zinc/41/52/95/644415295.db2.gz AXANPBVPYAUMAE-GRYCIOLGSA-N 2 2 230.352 0.441 20 0 BCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000923411240 644415297 /nfs/dbraw/zinc/41/52/97/644415297.db2.gz AXANPBVPYAUMAE-GRYCIOLGSA-N 2 2 230.352 0.441 20 0 BCADLP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@H](O)CSC ZINC000923421877 644416863 /nfs/dbraw/zinc/41/68/63/644416863.db2.gz FLPGAILYMWFYHA-MNOVXSKESA-N 2 2 232.393 0.784 20 0 BCADLP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@H](O)CSC ZINC000923421877 644416866 /nfs/dbraw/zinc/41/68/66/644416866.db2.gz FLPGAILYMWFYHA-MNOVXSKESA-N 2 2 232.393 0.784 20 0 BCADLP CC(C)[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCN1C ZINC000923415555 644417581 /nfs/dbraw/zinc/41/75/81/644417581.db2.gz QSWCJNSKLAESEJ-RVMXOQNASA-N 2 2 241.379 0.109 20 0 BCADLP CC(C)[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCN1C ZINC000923415555 644417584 /nfs/dbraw/zinc/41/75/84/644417584.db2.gz QSWCJNSKLAESEJ-RVMXOQNASA-N 2 2 241.379 0.109 20 0 BCADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000923423251 644419171 /nfs/dbraw/zinc/41/91/71/644419171.db2.gz WVDWVNBMQGSNDW-GHMZBOCLSA-N 3 2 211.353 0.844 20 0 BCADLP CC1(C)[C@H]([NH2+]CCC[NH2+]C2CC2)C[C@@H]1[NH3+] ZINC000923423256 644419199 /nfs/dbraw/zinc/41/91/99/644419199.db2.gz WVDWVNBMQGSNDW-WDEREUQCSA-N 3 2 211.353 0.844 20 0 BCADLP C[NH2+]CC[N@H+](C[C@@H](O)Cn1cccn1)C(C)C ZINC000923433528 644426530 /nfs/dbraw/zinc/42/65/30/644426530.db2.gz UREHYOPDSKOIKL-GFCCVEGCSA-N 2 2 240.351 0.174 20 0 BCADLP C[NH2+]CC[N@@H+](C[C@@H](O)Cn1cccn1)C(C)C ZINC000923433528 644426533 /nfs/dbraw/zinc/42/65/33/644426533.db2.gz UREHYOPDSKOIKL-GFCCVEGCSA-N 2 2 240.351 0.174 20 0 BCADLP CCO[C@@H](C[N@@H+]1CCNCC[NH2+]CC1)C1CC1 ZINC000923459758 644436021 /nfs/dbraw/zinc/43/60/21/644436021.db2.gz FPQVPTFQTSJODX-ZDUSSCGKSA-N 2 2 241.379 0.296 20 0 BCADLP c1cc(CCCN2CC[NH2+]CC[NH2+]CC2)ccn1 ZINC000923459388 644440610 /nfs/dbraw/zinc/44/06/10/644440610.db2.gz HREDNBNUQBHPQP-UHFFFAOYSA-N 2 2 248.374 0.509 20 0 BCADLP CCN(C)C(=O)CC[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923510603 644477321 /nfs/dbraw/zinc/47/73/21/644477321.db2.gz ZNZYPRQCRFFYMJ-NXEZZACHSA-N 2 2 213.325 0.134 20 0 BCADLP CCN(C)C(=O)CC[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923510603 644477323 /nfs/dbraw/zinc/47/73/23/644477323.db2.gz ZNZYPRQCRFFYMJ-NXEZZACHSA-N 2 2 213.325 0.134 20 0 BCADLP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@]([NH3+])(CO)C2)O1 ZINC000923473867 644452222 /nfs/dbraw/zinc/45/22/22/644452222.db2.gz OMZHZOWQCVJLBZ-IJLUTSLNSA-N 2 2 228.336 0.340 20 0 BCADLP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@]([NH3+])(CO)C2)O1 ZINC000923473867 644452225 /nfs/dbraw/zinc/45/22/25/644452225.db2.gz OMZHZOWQCVJLBZ-IJLUTSLNSA-N 2 2 228.336 0.340 20 0 BCADLP COC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516516 644479903 /nfs/dbraw/zinc/47/99/03/644479903.db2.gz IIVXQFXTPYHQFI-LPEHRKFASA-N 2 2 212.293 0.089 20 0 BCADLP COC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516516 644479905 /nfs/dbraw/zinc/47/99/05/644479905.db2.gz IIVXQFXTPYHQFI-LPEHRKFASA-N 2 2 212.293 0.089 20 0 BCADLP CC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923529925 644486004 /nfs/dbraw/zinc/48/60/04/644486004.db2.gz DVZSCLWUQHFCNY-NWDGAFQWSA-N 2 2 212.337 0.975 20 0 BCADLP CC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923529925 644486010 /nfs/dbraw/zinc/48/60/10/644486010.db2.gz DVZSCLWUQHFCNY-NWDGAFQWSA-N 2 2 212.337 0.975 20 0 BCADLP CC(C)[NH2+]Cc1cn(Cc2c[nH+]cn2C)nn1 ZINC000090297132 644588135 /nfs/dbraw/zinc/58/81/35/644588135.db2.gz LJRZRKZBQYHAGN-UHFFFAOYSA-N 2 2 234.307 0.558 20 0 BCADLP C[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CC[C@H]1[NH3+] ZINC000251654777 644814891 /nfs/dbraw/zinc/81/48/91/644814891.db2.gz GPHCXKKOGQUHEH-BWZBUEFSSA-N 2 2 226.242 0.579 20 0 BCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)CC[C@H]1[NH3+] ZINC000251654777 644814899 /nfs/dbraw/zinc/81/48/99/644814899.db2.gz GPHCXKKOGQUHEH-BWZBUEFSSA-N 2 2 226.242 0.579 20 0 BCADLP C[NH2+]CC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000844187753 645316280 /nfs/dbraw/zinc/31/62/80/645316280.db2.gz JKMBWAVEBLCENG-UHFFFAOYSA-N 2 2 249.305 0.394 20 0 BCADLP C[NH2+]CC(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000844187753 645316285 /nfs/dbraw/zinc/31/62/85/645316285.db2.gz JKMBWAVEBLCENG-UHFFFAOYSA-N 2 2 249.305 0.394 20 0 BCADLP Cc1cn[nH]c1C[NH2+]CCc1c[nH+]cn1C ZINC000857783108 645667510 /nfs/dbraw/zinc/66/75/10/645667510.db2.gz UAYWOXAUSCVSNO-UHFFFAOYSA-N 2 2 219.292 0.784 20 0 BCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000928430937 645748767 /nfs/dbraw/zinc/74/87/67/645748767.db2.gz AMJVLYJJUCDOHP-ZJUUUORDSA-N 2 2 222.292 0.092 20 0 BCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC000928430937 645748772 /nfs/dbraw/zinc/74/87/72/645748772.db2.gz AMJVLYJJUCDOHP-ZJUUUORDSA-N 2 2 222.292 0.092 20 0 BCADLP C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000928553528 645810679 /nfs/dbraw/zinc/81/06/79/645810679.db2.gz BSBLMGZIUUVHMG-GHMZBOCLSA-N 2 2 248.330 0.266 20 0 BCADLP C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000928553528 645810683 /nfs/dbraw/zinc/81/06/83/645810683.db2.gz BSBLMGZIUUVHMG-GHMZBOCLSA-N 2 2 248.330 0.266 20 0 BCADLP COC(=O)c1coc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000929063748 645931224 /nfs/dbraw/zinc/93/12/24/645931224.db2.gz DFRCTAKXGHTIAO-UHFFFAOYSA-N 2 2 238.287 0.908 20 0 BCADLP C[C@H](CO)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924752902 646099995 /nfs/dbraw/zinc/09/99/95/646099995.db2.gz IEXAJZRIPZNLJM-UTUOFQBUSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@H](CO)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924752902 646099998 /nfs/dbraw/zinc/09/99/98/646099998.db2.gz IEXAJZRIPZNLJM-UTUOFQBUSA-N 2 2 212.337 0.974 20 0 BCADLP C[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C(C)(C)CO ZINC000924953720 646139853 /nfs/dbraw/zinc/13/98/53/646139853.db2.gz BFNCXJQBYOTVGH-VHSXEESVSA-N 2 2 202.342 0.933 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cnnn1C ZINC000925140147 646192912 /nfs/dbraw/zinc/19/29/12/646192912.db2.gz ITZVLRPGSVSLLY-DCAQKATOSA-N 2 2 237.351 0.948 20 0 BCADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cnnn1C ZINC000925140147 646192933 /nfs/dbraw/zinc/19/29/33/646192933.db2.gz ITZVLRPGSVSLLY-DCAQKATOSA-N 2 2 237.351 0.948 20 0 BCADLP COCCC[N@H+](C)CC[NH2+][C@@H](C)C(C)(C)CO ZINC000925146421 646194657 /nfs/dbraw/zinc/19/46/57/646194657.db2.gz XHVKWRCTAAXBSU-LBPRGKRZSA-N 2 2 246.395 0.951 20 0 BCADLP COCCC[N@@H+](C)CC[NH2+][C@@H](C)C(C)(C)CO ZINC000925146421 646194660 /nfs/dbraw/zinc/19/46/60/646194660.db2.gz XHVKWRCTAAXBSU-LBPRGKRZSA-N 2 2 246.395 0.951 20 0 BCADLP CON1CC[C@H]([N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000929638040 646217011 /nfs/dbraw/zinc/21/70/11/646217011.db2.gz ULHRLIJJPUHQNK-QWRGUYRKSA-N 2 2 241.335 0.032 20 0 BCADLP CON1CC[C@H]([N@H+]2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000929638040 646217015 /nfs/dbraw/zinc/21/70/15/646217015.db2.gz ULHRLIJJPUHQNK-QWRGUYRKSA-N 2 2 241.335 0.032 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC000925497804 646301522 /nfs/dbraw/zinc/30/15/22/646301522.db2.gz KEIPZAYKVQXNPT-RWMBFGLXSA-N 2 2 242.363 0.912 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC000925497803 646301755 /nfs/dbraw/zinc/30/17/55/646301755.db2.gz KEIPZAYKVQXNPT-AVGNSLFASA-N 2 2 242.363 0.912 20 0 BCADLP CC1(C)[C@H]([NH2+][C@@H]2C[NH2+]CCOC2)[C@@H]2CCO[C@@H]21 ZINC000925521229 646315247 /nfs/dbraw/zinc/31/52/47/646315247.db2.gz JCHZVYNNBILBFG-KXNHARMFSA-N 2 2 240.347 0.378 20 0 BCADLP Cc1[nH]c(C[N@@H+]2CC[C@@](C)(O)C2)c(C)[nH+]1 ZINC000929788104 646317528 /nfs/dbraw/zinc/31/75/28/646317528.db2.gz MNKADMXEFASFPO-LLVKDONJSA-N 2 2 209.293 0.983 20 0 BCADLP Cc1[nH]c(C[N@H+]2CC[C@@](C)(O)C2)c(C)[nH+]1 ZINC000929788104 646317531 /nfs/dbraw/zinc/31/75/31/646317531.db2.gz MNKADMXEFASFPO-LLVKDONJSA-N 2 2 209.293 0.983 20 0 BCADLP C[C@]1(C[NH2+][C@@H]2C[NH2+]CCOC2)CCCS1 ZINC000925553797 646331115 /nfs/dbraw/zinc/33/11/15/646331115.db2.gz VXUBXFCWAZKSRX-GHMZBOCLSA-N 2 2 230.377 0.850 20 0 BCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCNc1cnccn1 ZINC000925555724 646331723 /nfs/dbraw/zinc/33/17/23/646331723.db2.gz ITHDAOYJGCGADS-MNOVXSKESA-N 2 2 235.335 0.619 20 0 BCADLP C1C[C@H]2[C@H](CCC[C@@H]2[NH2+][C@@H]2C[NH2+]CCOC2)O1 ZINC000925558123 646333555 /nfs/dbraw/zinc/33/35/55/646333555.db2.gz FNKRIQKOBDJXCM-NDBYEHHHSA-N 2 2 240.347 0.522 20 0 BCADLP CCC(=O)N1CC[C@H]([NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC000925561611 646335555 /nfs/dbraw/zinc/33/55/55/646335555.db2.gz RAEIMMKBQDDUKM-QWRGUYRKSA-N 2 2 239.363 0.727 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCOC[C@@H]1CCOC1 ZINC000925566960 646337909 /nfs/dbraw/zinc/33/79/09/646337909.db2.gz MRABNFCORAJXKU-YNEHKIRRSA-N 2 2 242.363 0.770 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCOC[C@H]1CCOC1 ZINC000925568959 646338017 /nfs/dbraw/zinc/33/80/17/646338017.db2.gz YYVPBJWBYGAAGR-RYUDHWBXSA-N 2 2 242.363 0.770 20 0 BCADLP C[C@H](CC(N)=O)[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925574666 646341558 /nfs/dbraw/zinc/34/15/58/646341558.db2.gz SRJPYCGSRFLBSL-GBIKHYSHSA-N 2 2 235.331 0.928 20 0 BCADLP OCC1CCC([NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925612268 646360855 /nfs/dbraw/zinc/36/08/55/646360855.db2.gz QLNWTRSGYYOZGH-HTAVTVPLSA-N 2 2 228.336 0.116 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000925616082 646365355 /nfs/dbraw/zinc/36/53/55/646365355.db2.gz QJCXQJDMDPTWOG-MVWJERBFSA-N 2 2 234.347 0.997 20 0 BCADLP C1=CC[C@@H](C[NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925618610 646365961 /nfs/dbraw/zinc/36/59/61/646365961.db2.gz XAAMUQIOZJXWJV-NEPJUHHUSA-N 2 2 210.321 0.921 20 0 BCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H](O)COCC1CC1 ZINC000925616468 646366084 /nfs/dbraw/zinc/36/60/84/646366084.db2.gz MTWKYYVPVFNBBX-NEPJUHHUSA-N 2 2 242.363 0.504 20 0 BCADLP C(C[C@@H]1CCCCO1)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925631482 646376535 /nfs/dbraw/zinc/37/65/35/646376535.db2.gz HKPNUXDZGLABCZ-NEPJUHHUSA-N 2 2 228.336 0.524 20 0 BCADLP C(C[C@@H]1CCCCO1)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925631485 646376563 /nfs/dbraw/zinc/37/65/63/646376563.db2.gz HKPNUXDZGLABCZ-RYUDHWBXSA-N 2 2 228.336 0.524 20 0 BCADLP CC(C)[NH2+]C1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000929963221 646379731 /nfs/dbraw/zinc/37/97/31/646379731.db2.gz XDSBUNUEOXRVIF-ZDUSSCGKSA-N 2 2 242.363 0.864 20 0 BCADLP CC(C)OCCCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925635610 646379939 /nfs/dbraw/zinc/37/99/39/646379939.db2.gz STPNJTNUFFRYIT-LBPRGKRZSA-N 2 2 230.352 0.770 20 0 BCADLP C1CC1[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CCOC2)CCO1 ZINC000925640296 646383358 /nfs/dbraw/zinc/38/33/58/646383358.db2.gz RMTJELQPGMCWBD-XQQFMLRXSA-N 2 2 240.347 0.522 20 0 BCADLP OC[C@@H](CC(F)F)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925651620 646391143 /nfs/dbraw/zinc/39/11/43/646391143.db2.gz HOKWBHYKYSJBCP-BDAKNGLRSA-N 2 2 234.290 0.877 20 0 BCADLP COC[C@@H](O)C[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925668782 646400831 /nfs/dbraw/zinc/40/08/31/646400831.db2.gz ZWHBTHIWHYZRLQ-WXHSDQCUSA-N 2 2 238.331 0.672 20 0 BCADLP CC(F)(F)CCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925677512 646406392 /nfs/dbraw/zinc/40/63/92/646406392.db2.gz XIACVHWORCCZHB-SECBINFHSA-N 2 2 222.279 1.000 20 0 BCADLP C[C@@H](CCCCO)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925677933 646407175 /nfs/dbraw/zinc/40/71/75/646407175.db2.gz ASQLFMOBFOHTRX-WDEREUQCSA-N 2 2 216.325 0.116 20 0 BCADLP C[C@H](CCCCO)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925677930 646407540 /nfs/dbraw/zinc/40/75/40/646407540.db2.gz ASQLFMOBFOHTRX-MNOVXSKESA-N 2 2 216.325 0.116 20 0 BCADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925701048 646425209 /nfs/dbraw/zinc/42/52/09/646425209.db2.gz UYWSVYDINSFCLE-NOOOWODRSA-N 3 2 223.364 0.844 20 0 BCADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CCOC1)C(C)(C)C ZINC000925704573 646427505 /nfs/dbraw/zinc/42/75/05/646427505.db2.gz YUOKIEZZVLAOJI-NXEZZACHSA-N 2 2 200.326 0.999 20 0 BCADLP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCO2)C1 ZINC000925704010 646429784 /nfs/dbraw/zinc/42/97/84/646429784.db2.gz FSHGCBAJXSEIIP-UTUOFQBUSA-N 3 2 241.379 0.470 20 0 BCADLP C1[C@H]2CC[C@@H]([NH2+][C@@H]3C[NH2+]CCOC3)C[C@@H]12 ZINC000925706267 646430990 /nfs/dbraw/zinc/43/09/90/646430990.db2.gz BVWFMQCJIVYJJM-DDHJBXDOSA-N 2 2 210.321 0.753 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000925711810 646437708 /nfs/dbraw/zinc/43/77/08/646437708.db2.gz RZRCHZLEAOFVSQ-GARJFASQSA-N 3 2 247.333 0.961 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000925717113 646440517 /nfs/dbraw/zinc/44/05/17/646440517.db2.gz ITDZWONPZXONOX-SNVBAGLBSA-N 3 2 215.341 0.082 20 0 BCADLP CN1CCOC[C@H]1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925717984 646442620 /nfs/dbraw/zinc/44/26/20/646442620.db2.gz MIGXPGJMQGYGFL-MNOVXSKESA-N 2 2 227.352 0.047 20 0 BCADLP C(C[C@H]1CCCOC1)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925720385 646443771 /nfs/dbraw/zinc/44/37/71/646443771.db2.gz HAGNLRHKVYCBBL-VXGBXAGGSA-N 2 2 228.336 0.381 20 0 BCADLP Cc1[nH]c(C[N@H+]2C[C@H](O)C[C@H]2C)c(C)[nH+]1 ZINC000930124787 646446200 /nfs/dbraw/zinc/44/62/00/646446200.db2.gz KCANODHGROQBHM-GMSGAONNSA-N 2 2 209.293 0.982 20 0 BCADLP Cc1[nH]c(C[N@@H+]2C[C@H](O)C[C@H]2C)c(C)[nH+]1 ZINC000930124787 646446206 /nfs/dbraw/zinc/44/62/06/646446206.db2.gz KCANODHGROQBHM-GMSGAONNSA-N 2 2 209.293 0.982 20 0 BCADLP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000925722777 646448419 /nfs/dbraw/zinc/44/84/19/646448419.db2.gz YNNIHQYQMZCIOW-MVWJERBFSA-N 2 2 225.336 0.337 20 0 BCADLP C(C[C@@H]1CCSC1)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925725164 646450057 /nfs/dbraw/zinc/45/00/57/646450057.db2.gz QSYNCWRRLIMZNO-MNOVXSKESA-N 2 2 230.377 0.708 20 0 BCADLP C[C@@H]([NH3+])[C@@H]([NH2+]C1CC(C(N)=O)C1)c1ccccc1 ZINC000925728997 646453928 /nfs/dbraw/zinc/45/39/28/646453928.db2.gz NDPQEJCHJQSZFC-SARFZWSYSA-N 2 2 247.342 0.928 20 0 BCADLP CC(C)([NH3+])CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925738389 646461123 /nfs/dbraw/zinc/46/11/23/646461123.db2.gz TUFVGSBDKDCUAL-NXEZZACHSA-N 3 2 211.353 0.973 20 0 BCADLP C[C@H]([NH2+]CCN1CCNC1=O)[C@H]1CCCC[NH2+]1 ZINC000925777933 646474721 /nfs/dbraw/zinc/47/47/21/646474721.db2.gz RKGFQCUICZWBKP-WDEREUQCSA-N 2 2 240.351 0.132 20 0 BCADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925775440 646476279 /nfs/dbraw/zinc/47/62/79/646476279.db2.gz GSQCQIPBGQLRHA-AXFHLTTASA-N 3 2 247.333 0.948 20 0 BCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925783016 646478638 /nfs/dbraw/zinc/47/86/38/646478638.db2.gz ATOBOXHFEAVHHA-IJLUTSLNSA-N 2 2 241.379 0.831 20 0 BCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817907 646493777 /nfs/dbraw/zinc/49/37/77/646493777.db2.gz XLEAWOICYNQXQB-GFCCVEGCSA-N 3 2 240.395 0.140 20 0 BCADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000925828145 646499612 /nfs/dbraw/zinc/49/96/12/646499612.db2.gz VGHXLRYTQUDTET-CIUDSAMLSA-N 2 2 211.313 0.592 20 0 BCADLP CC1(C)[C@H]([NH2+][C@@H]2CNOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925860267 646512660 /nfs/dbraw/zinc/51/26/60/646512660.db2.gz OJJFBNNKWUNKDV-CHWFTXMASA-N 2 2 225.336 0.256 20 0 BCADLP CC1(C)[C@@H]([NH2+][C@H]2CNOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925865059 646517087 /nfs/dbraw/zinc/51/70/87/646517087.db2.gz OJJFBNNKWUNKDV-VLEAKVRGSA-N 2 2 225.336 0.256 20 0 BCADLP CCOC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723851931 711539418 /nfs/dbraw/zinc/53/94/18/711539418.db2.gz HCJFQQSXCRKWLQ-OPRDCNLKSA-N 2 2 214.309 0.465 20 0 BCADLP CCOC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723851931 711539420 /nfs/dbraw/zinc/53/94/20/711539420.db2.gz HCJFQQSXCRKWLQ-OPRDCNLKSA-N 2 2 214.309 0.465 20 0 BCADLP CCO[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000701674951 712026304 /nfs/dbraw/zinc/02/63/04/712026304.db2.gz WTRIKUYHXDMSQG-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP CCO[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000701674951 712026306 /nfs/dbraw/zinc/02/63/06/712026306.db2.gz WTRIKUYHXDMSQG-NEPJUHHUSA-N 2 2 230.352 0.410 20 0 BCADLP CCO[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000701674416 712026773 /nfs/dbraw/zinc/02/67/73/712026773.db2.gz UGXCRYRBDQXFIY-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CCO[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000701674416 712026776 /nfs/dbraw/zinc/02/67/76/712026776.db2.gz UGXCRYRBDQXFIY-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CCO[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000701674416 712026778 /nfs/dbraw/zinc/02/67/78/712026778.db2.gz UGXCRYRBDQXFIY-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CCO[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000701674416 712026780 /nfs/dbraw/zinc/02/67/80/712026780.db2.gz UGXCRYRBDQXFIY-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CCO[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000701671178 712027239 /nfs/dbraw/zinc/02/72/39/712027239.db2.gz DJCXWOMBMBLUBA-STQMWFEESA-N 2 2 242.363 0.552 20 0 BCADLP CCO[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000701671178 712027240 /nfs/dbraw/zinc/02/72/40/712027240.db2.gz DJCXWOMBMBLUBA-STQMWFEESA-N 2 2 242.363 0.552 20 0 BCADLP CCO[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000701671178 712027242 /nfs/dbraw/zinc/02/72/42/712027242.db2.gz DJCXWOMBMBLUBA-STQMWFEESA-N 2 2 242.363 0.552 20 0 BCADLP CCO[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000701671178 712027244 /nfs/dbraw/zinc/02/72/44/712027244.db2.gz DJCXWOMBMBLUBA-STQMWFEESA-N 2 2 242.363 0.552 20 0 BCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+]([C@@H]1CCOC1=O)C2 ZINC000702630009 712057531 /nfs/dbraw/zinc/05/75/31/712057531.db2.gz MESCAUGIYGCNAM-JLLWLGSASA-N 2 2 224.304 0.233 20 0 BCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+]([C@@H]1CCOC1=O)C2 ZINC000702630009 712057532 /nfs/dbraw/zinc/05/75/32/712057532.db2.gz MESCAUGIYGCNAM-JLLWLGSASA-N 2 2 224.304 0.233 20 0 BCADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)C(=O)NC(C)(C)C ZINC000037249554 712558343 /nfs/dbraw/zinc/55/83/43/712558343.db2.gz FLBUOLUYYTVCOF-JTQLQIEISA-N 2 2 241.379 0.973 20 0 BCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1(Cl)CC1 ZINC000717308331 712646231 /nfs/dbraw/zinc/64/62/31/712646231.db2.gz OXDYVFZAGWHXOB-DTWKUNHWSA-N 2 2 220.744 0.658 20 0 BCADLP C[C@H](CCO)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000380139838 712698892 /nfs/dbraw/zinc/69/88/92/712698892.db2.gz VGZUQYZEKBZQJH-NXEZZACHSA-N 2 2 209.293 0.558 20 0 BCADLP COCC(COC)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000384878047 712703963 /nfs/dbraw/zinc/70/39/63/712703963.db2.gz SUIWFQMJOGDIFD-SECBINFHSA-N 2 2 202.298 0.071 20 0 BCADLP COCC(COC)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000384878047 712703964 /nfs/dbraw/zinc/70/39/64/712703964.db2.gz SUIWFQMJOGDIFD-SECBINFHSA-N 2 2 202.298 0.071 20 0 BCADLP Cc1oncc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000380149342 712699981 /nfs/dbraw/zinc/69/99/81/712699981.db2.gz AGDTXAPJNCTNMT-PHIMTYICSA-N 2 2 207.277 0.634 20 0 BCADLP Cc1oncc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000380149342 712699982 /nfs/dbraw/zinc/69/99/82/712699982.db2.gz AGDTXAPJNCTNMT-PHIMTYICSA-N 2 2 207.277 0.634 20 0 BCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCO[C@@H](C)CC1 ZINC000720427331 712841166 /nfs/dbraw/zinc/84/11/66/712841166.db2.gz SBOCMSGURPSZEX-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@@H](C)CC1 ZINC000720427331 712841167 /nfs/dbraw/zinc/84/11/67/712841167.db2.gz SBOCMSGURPSZEX-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@@H](C)CC1 ZINC000720427331 712841169 /nfs/dbraw/zinc/84/11/69/712841169.db2.gz SBOCMSGURPSZEX-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCO[C@@H](C)CC1 ZINC000720427331 712841171 /nfs/dbraw/zinc/84/11/71/712841171.db2.gz SBOCMSGURPSZEX-STQMWFEESA-N 2 2 244.379 0.798 20 0 BCADLP CCOC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000720484280 712846648 /nfs/dbraw/zinc/84/66/48/712846648.db2.gz XSELNQYZIZPRMZ-AGIUHOORSA-N 2 2 242.363 0.552 20 0 BCADLP CCOC[C@H](O)C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000720484280 712846650 /nfs/dbraw/zinc/84/66/50/712846650.db2.gz XSELNQYZIZPRMZ-AGIUHOORSA-N 2 2 242.363 0.552 20 0 BCADLP CCOC[C@H](O)C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720484280 712846652 /nfs/dbraw/zinc/84/66/52/712846652.db2.gz XSELNQYZIZPRMZ-AGIUHOORSA-N 2 2 242.363 0.552 20 0 BCADLP CCOC[C@H](O)C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720484280 712846654 /nfs/dbraw/zinc/84/66/54/712846654.db2.gz XSELNQYZIZPRMZ-AGIUHOORSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC1(C)OCCO1 ZINC000393740419 710671822 /nfs/dbraw/zinc/67/18/22/710671822.db2.gz BIAWCBBMBCVITO-MNOVXSKESA-N 2 2 228.336 0.679 20 0 BCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC1(C)OCCO1 ZINC000393740419 710671825 /nfs/dbraw/zinc/67/18/25/710671825.db2.gz BIAWCBBMBCVITO-MNOVXSKESA-N 2 2 228.336 0.679 20 0 BCADLP C[C@@H]1CSCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000380462282 712901154 /nfs/dbraw/zinc/90/11/54/712901154.db2.gz KRTJWVDHBUYIOA-VXGBXAGGSA-N 2 2 244.404 0.880 20 0 BCADLP C[C@@H]1CSCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000380462282 712901155 /nfs/dbraw/zinc/90/11/55/712901155.db2.gz KRTJWVDHBUYIOA-VXGBXAGGSA-N 2 2 244.404 0.880 20 0 BCADLP Cc1cn(C)nc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000723961730 710735683 /nfs/dbraw/zinc/73/56/83/710735683.db2.gz FWERRYXBQDQEAT-LBPRGKRZSA-N 2 2 222.336 0.899 20 0 BCADLP Cc1cn(C)nc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000723961730 710735687 /nfs/dbraw/zinc/73/56/87/710735687.db2.gz FWERRYXBQDQEAT-LBPRGKRZSA-N 2 2 222.336 0.899 20 0 BCADLP [NH3+][C@H]1CCCCC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000724934629 710750017 /nfs/dbraw/zinc/75/00/17/710750017.db2.gz DEWPPSQKUJJXDL-STQMWFEESA-N 2 2 242.363 0.995 20 0 BCADLP [NH3+][C@H]1CCCCC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000724934629 710750021 /nfs/dbraw/zinc/75/00/21/710750021.db2.gz DEWPPSQKUJJXDL-STQMWFEESA-N 2 2 242.363 0.995 20 0 BCADLP CC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001043100078 710804032 /nfs/dbraw/zinc/80/40/32/710804032.db2.gz SVHVWLOLUJEYEY-GFCCVEGCSA-N 2 2 239.363 0.633 20 0 BCADLP CC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001043100078 710804037 /nfs/dbraw/zinc/80/40/37/710804037.db2.gz SVHVWLOLUJEYEY-GFCCVEGCSA-N 2 2 239.363 0.633 20 0 BCADLP CNC(=O)[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000382538485 710973546 /nfs/dbraw/zinc/97/35/46/710973546.db2.gz RMKNMNCTMZTTHP-LBPRGKRZSA-N 2 2 239.363 0.729 20 0 BCADLP CNC(=O)[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CC1 ZINC000382538485 710973551 /nfs/dbraw/zinc/97/35/51/710973551.db2.gz RMKNMNCTMZTTHP-LBPRGKRZSA-N 2 2 239.363 0.729 20 0 BCADLP COCCOCCOCC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000383462619 710982100 /nfs/dbraw/zinc/98/21/00/710982100.db2.gz MXMOQMLZLRTESZ-RYUDHWBXSA-N 2 2 246.351 0.088 20 0 BCADLP COCCOCCOCC[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000383462619 710982105 /nfs/dbraw/zinc/98/21/05/710982105.db2.gz MXMOQMLZLRTESZ-RYUDHWBXSA-N 2 2 246.351 0.088 20 0 BCADLP Cn1c[nH+]cc1CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000384426157 710993244 /nfs/dbraw/zinc/99/32/44/710993244.db2.gz UTDRYVSYUKWHCU-MNSQCTGESA-N 2 2 232.331 0.506 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000385592548 711015054 /nfs/dbraw/zinc/01/50/54/711015054.db2.gz IXTCZSXDUKYOKK-QQOHENMQSA-N 3 2 246.358 0.858 20 0 BCADLP CN1CCC[NH+]=C1NCCn1cc[nH+]c1 ZINC000386092020 711022489 /nfs/dbraw/zinc/02/24/89/711022489.db2.gz IHLMFEOFKJGTEG-UHFFFAOYSA-N 2 2 207.281 0.164 20 0 BCADLP Cn1nccc1CC[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000388024060 711050398 /nfs/dbraw/zinc/05/03/98/711050398.db2.gz FVMNAAIVALUKQT-LLVKDONJSA-N 2 2 222.336 0.632 20 0 BCADLP Cn1nccc1CC[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000388024060 711050399 /nfs/dbraw/zinc/05/03/99/711050399.db2.gz FVMNAAIVALUKQT-LLVKDONJSA-N 2 2 222.336 0.632 20 0 BCADLP Cn1ncc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000389806907 711088992 /nfs/dbraw/zinc/08/89/92/711088992.db2.gz CKFSKQIMXWWEJS-IUCAKERBSA-N 2 2 209.297 0.175 20 0 BCADLP [NH3+]CC[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000390274263 711111940 /nfs/dbraw/zinc/11/19/40/711111940.db2.gz SNTQBVARGWKEQF-LBPRGKRZSA-N 2 2 228.336 0.605 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1COCCO1 ZINC000396602138 711353180 /nfs/dbraw/zinc/35/31/80/711353180.db2.gz BHOPWWDAWLELDZ-DCAQKATOSA-N 2 2 214.309 0.132 20 0 BCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1COCCO1 ZINC000396602139 711353445 /nfs/dbraw/zinc/35/34/45/711353445.db2.gz BHOPWWDAWLELDZ-GARJFASQSA-N 2 2 214.309 0.132 20 0 BCADLP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)sn1 ZINC000399028818 711419028 /nfs/dbraw/zinc/41/90/28/711419028.db2.gz IWJQQVFKSKSYEE-QMMMGPOBSA-N 2 2 227.333 0.932 20 0 BCADLP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)sn1 ZINC000399028818 711419031 /nfs/dbraw/zinc/41/90/31/711419031.db2.gz IWJQQVFKSKSYEE-QMMMGPOBSA-N 2 2 227.333 0.932 20 0 BCADLP COCCOCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396618988 711362069 /nfs/dbraw/zinc/36/20/69/711362069.db2.gz HCTIVFJZVRYTCE-QWRGUYRKSA-N 2 2 216.325 0.380 20 0 BCADLP CON(C)C(=O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000397524251 711385275 /nfs/dbraw/zinc/38/52/75/711385275.db2.gz HBHPTUBLXUPMTL-UHFFFAOYSA-N 2 2 241.335 0.223 20 0 BCADLP C[NH2+]CCOCC[N@H+](C)Cc1nn(C)cc1C ZINC000723500340 711513484 /nfs/dbraw/zinc/51/34/84/711513484.db2.gz WDUZUDCKUFIYME-UHFFFAOYSA-N 2 2 240.351 0.396 20 0 BCADLP C[NH2+]CCOCC[N@@H+](C)Cc1nn(C)cc1C ZINC000723500340 711513487 /nfs/dbraw/zinc/51/34/87/711513487.db2.gz WDUZUDCKUFIYME-UHFFFAOYSA-N 2 2 240.351 0.396 20 0 BCADLP CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000724878869 711526586 /nfs/dbraw/zinc/52/65/86/711526586.db2.gz YRHRZWGLZILZGI-NNYUYHANSA-N 2 2 228.336 0.520 20 0 BCADLP C[C@H]1COCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000382657892 711546871 /nfs/dbraw/zinc/54/68/71/711546871.db2.gz IAENEJKJQDNXSZ-STQMWFEESA-N 2 2 242.363 0.554 20 0 BCADLP C[C@H]1COCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000382657892 711546872 /nfs/dbraw/zinc/54/68/72/711546872.db2.gz IAENEJKJQDNXSZ-STQMWFEESA-N 2 2 242.363 0.554 20 0 BCADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724643319 711603615 /nfs/dbraw/zinc/60/36/15/711603615.db2.gz NZONDGCGNUWXGM-USZNOCQGSA-N 2 2 226.320 0.213 20 0 BCADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724643319 711603617 /nfs/dbraw/zinc/60/36/17/711603617.db2.gz NZONDGCGNUWXGM-USZNOCQGSA-N 2 2 226.320 0.213 20 0 BCADLP CN1C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)CC1=O ZINC000925593722 711704312 /nfs/dbraw/zinc/70/43/12/711704312.db2.gz IFMXSMPIIFCGGH-QWRGUYRKSA-N 2 2 237.347 0.481 20 0 BCADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCN1CCOC1=O)C2 ZINC000857087215 711710585 /nfs/dbraw/zinc/71/05/85/711710585.db2.gz PMYJBRYDLMHDBI-ZYHUDNBSSA-N 2 2 239.319 0.252 20 0 BCADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCN1CCOC1=O)C2 ZINC000857087215 711710586 /nfs/dbraw/zinc/71/05/86/711710586.db2.gz PMYJBRYDLMHDBI-ZYHUDNBSSA-N 2 2 239.319 0.252 20 0 BCADLP C[C@@H]([NH3+])[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccccc1 ZINC000925719256 711714902 /nfs/dbraw/zinc/71/49/02/711714902.db2.gz NDPQEJCHJQSZFC-JHEVNIALSA-N 2 2 247.342 0.928 20 0 BCADLP COC(C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1)OC ZINC000706204410 711910792 /nfs/dbraw/zinc/91/07/92/711910792.db2.gz SCDUFPKEGPBSQL-STQMWFEESA-N 2 2 242.363 0.879 20 0 BCADLP CCO[C@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000701720734 712028393 /nfs/dbraw/zinc/02/83/93/712028393.db2.gz XDSYQGMIEPCNPW-WDEREUQCSA-N 2 2 214.309 0.086 20 0 BCADLP CCO[C@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000701720734 712028394 /nfs/dbraw/zinc/02/83/94/712028394.db2.gz XDSYQGMIEPCNPW-WDEREUQCSA-N 2 2 214.309 0.086 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702055698 712037511 /nfs/dbraw/zinc/03/75/11/712037511.db2.gz KRGXGYFSXQWQMS-JFGNBEQYSA-N 2 2 225.336 0.004 20 0 BCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702055698 712037514 /nfs/dbraw/zinc/03/75/14/712037514.db2.gz KRGXGYFSXQWQMS-JFGNBEQYSA-N 2 2 225.336 0.004 20 0 BCADLP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC[NH2+]C3)C[C@]2(C)C1 ZINC000702334580 712047533 /nfs/dbraw/zinc/04/75/33/712047533.db2.gz XKHLLOMCLNLXFC-MCIONIFRSA-N 3 2 237.391 0.870 20 0 BCADLP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC[NH2+]C3)C[C@]2(C)C1 ZINC000702334580 712047534 /nfs/dbraw/zinc/04/75/34/712047534.db2.gz XKHLLOMCLNLXFC-MCIONIFRSA-N 3 2 237.391 0.870 20 0 BCADLP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)C[C@]2(C)C1 ZINC000702334580 712047535 /nfs/dbraw/zinc/04/75/35/712047535.db2.gz XKHLLOMCLNLXFC-MCIONIFRSA-N 3 2 237.391 0.870 20 0 BCADLP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)C[C@]2(C)C1 ZINC000702334580 712047537 /nfs/dbraw/zinc/04/75/37/712047537.db2.gz XKHLLOMCLNLXFC-MCIONIFRSA-N 3 2 237.391 0.870 20 0 BCADLP c1ccc(N2CCC([NH2+][C@@H]3CNOC3)CC2)[nH+]c1 ZINC000703381705 712074589 /nfs/dbraw/zinc/07/45/89/712074589.db2.gz HOHAYRGYFZQGIM-GFCCVEGCSA-N 2 2 248.330 0.543 20 0 BCADLP CCN(CC)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000322280408 712091434 /nfs/dbraw/zinc/09/14/34/712091434.db2.gz YICGHJVKNGOWJX-UHFFFAOYSA-N 2 2 242.367 0.461 20 0 BCADLP CC[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001035144945 712115666 /nfs/dbraw/zinc/11/56/66/712115666.db2.gz UMSTXJSGKNBVRG-LLVKDONJSA-N 2 2 236.319 0.484 20 0 BCADLP C[C@H](CNC(C[NH3+])C[NH3+])CC(C)(C)C ZINC000708320331 712186198 /nfs/dbraw/zinc/18/61/98/712186198.db2.gz UKCLINBYZBFKLO-VIFPVBQESA-N 2 2 201.358 0.934 20 0 BCADLP C[C@H](C[NH2+]C(CN)C[NH3+])CC(C)(C)C ZINC000708320331 712186199 /nfs/dbraw/zinc/18/61/99/712186199.db2.gz UKCLINBYZBFKLO-VIFPVBQESA-N 2 2 201.358 0.934 20 0 BCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](CF)C1)C1CC1 ZINC000711471657 712303132 /nfs/dbraw/zinc/30/31/32/712303132.db2.gz UIKLOBHKNRZRQQ-JQWIXIFHSA-N 2 2 230.327 0.733 20 0 BCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](CF)C1)C1CC1 ZINC000711471657 712303135 /nfs/dbraw/zinc/30/31/35/712303135.db2.gz UIKLOBHKNRZRQQ-JQWIXIFHSA-N 2 2 230.327 0.733 20 0 BCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](CF)C1)C1CC1 ZINC000711471657 712303139 /nfs/dbraw/zinc/30/31/39/712303139.db2.gz UIKLOBHKNRZRQQ-JQWIXIFHSA-N 2 2 230.327 0.733 20 0 BCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](CF)C1)C1CC1 ZINC000711471657 712303143 /nfs/dbraw/zinc/30/31/43/712303143.db2.gz UIKLOBHKNRZRQQ-JQWIXIFHSA-N 2 2 230.327 0.733 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711553644 712309142 /nfs/dbraw/zinc/30/91/42/712309142.db2.gz RJIPVBHZCGSFKU-OUAUKWLOSA-N 2 2 228.361 0.270 20 0 BCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711553644 712309145 /nfs/dbraw/zinc/30/91/45/712309145.db2.gz RJIPVBHZCGSFKU-OUAUKWLOSA-N 2 2 228.361 0.270 20 0 BCADLP C[C@@H]1C[C@H](NC[C@H]2CC[NH+]2C)CC[N@@H+]1C ZINC000712611928 712437272 /nfs/dbraw/zinc/43/72/72/712437272.db2.gz APQVUBRRUUTMFL-IJLUTSLNSA-N 2 2 211.353 0.763 20 0 BCADLP C[C@@H]1C[C@H](NC[C@H]2CC[NH+]2C)CC[N@H+]1C ZINC000712611928 712437273 /nfs/dbraw/zinc/43/72/73/712437273.db2.gz APQVUBRRUUTMFL-IJLUTSLNSA-N 2 2 211.353 0.763 20 0 BCADLP C[C@@H]1C[C@H](NC[C@H]2CC[N@@H+]2C)CC[NH+]1C ZINC000712611928 712437274 /nfs/dbraw/zinc/43/72/74/712437274.db2.gz APQVUBRRUUTMFL-IJLUTSLNSA-N 2 2 211.353 0.763 20 0 BCADLP C[C@@H]1C[C@H](NC[C@H]2CC[N@H+]2C)CC[NH+]1C ZINC000712611928 712437275 /nfs/dbraw/zinc/43/72/75/712437275.db2.gz APQVUBRRUUTMFL-IJLUTSLNSA-N 2 2 211.353 0.763 20 0 BCADLP CC[N@@H+]1CC[C@@H]1CNc1nc(C)[nH+]c(N)n1 ZINC000712610084 712437543 /nfs/dbraw/zinc/43/75/43/712437543.db2.gz XFYDXUQGGWHHPY-MRVPVSSYSA-N 2 2 222.296 0.268 20 0 BCADLP CC[N@H+]1CC[C@@H]1CNc1nc(C)[nH+]c(N)n1 ZINC000712610084 712437544 /nfs/dbraw/zinc/43/75/44/712437544.db2.gz XFYDXUQGGWHHPY-MRVPVSSYSA-N 2 2 222.296 0.268 20 0 BCADLP C[C@@H](C[NH3+])[N@H+](C)C[C@H]1CC2(CO1)CCOCC2 ZINC000712620420 712438639 /nfs/dbraw/zinc/43/86/39/712438639.db2.gz ZOQLWOJRHWVKFE-NWDGAFQWSA-N 2 2 242.363 0.851 20 0 BCADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@H]1CC2(CO1)CCOCC2 ZINC000712620420 712438640 /nfs/dbraw/zinc/43/86/40/712438640.db2.gz ZOQLWOJRHWVKFE-NWDGAFQWSA-N 2 2 242.363 0.851 20 0 BCADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC000715569709 712529391 /nfs/dbraw/zinc/52/93/91/712529391.db2.gz KXPORYUEBVKCNZ-WDEREUQCSA-N 2 2 248.392 0.493 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C12CC[NH+](CC1)C2 ZINC000715808735 712533512 /nfs/dbraw/zinc/53/35/12/712533512.db2.gz JLPNTHJYXCUJPE-UHFFFAOYSA-N 2 2 234.303 0.430 20 0 BCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000826984703 712592857 /nfs/dbraw/zinc/59/28/57/712592857.db2.gz OKZHSOORHCLIFF-MWLCHTKSSA-N 2 2 240.282 0.089 20 0 BCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)C1CC1 ZINC000717410955 712656373 /nfs/dbraw/zinc/65/63/73/712656373.db2.gz DCZPBDFIGCBICY-YNEHKIRRSA-N 2 2 224.348 0.926 20 0 BCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)C1CC1 ZINC000717410955 712656374 /nfs/dbraw/zinc/65/63/74/712656374.db2.gz DCZPBDFIGCBICY-YNEHKIRRSA-N 2 2 224.348 0.926 20 0 BCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H](O)C1CC1 ZINC000717410955 712656376 /nfs/dbraw/zinc/65/63/76/712656376.db2.gz DCZPBDFIGCBICY-YNEHKIRRSA-N 2 2 224.348 0.926 20 0 BCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H](O)C1CC1 ZINC000717410955 712656377 /nfs/dbraw/zinc/65/63/77/712656377.db2.gz DCZPBDFIGCBICY-YNEHKIRRSA-N 2 2 224.348 0.926 20 0 BCADLP OC/C=C/C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000717530168 712660496 /nfs/dbraw/zinc/66/04/96/712660496.db2.gz BUCNLHAEANUIIS-FNZNSRBLSA-N 2 2 208.305 0.121 20 0 BCADLP OCC[C@H]([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000380014261 712669965 /nfs/dbraw/zinc/66/99/65/712669965.db2.gz SRZVIBHXIJEVEB-NSHDSACASA-N 2 2 209.293 0.634 20 0 BCADLP Cc1[nH+]c[nH]c1CNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000380194508 712710583 /nfs/dbraw/zinc/71/05/83/712710583.db2.gz ABJPVYJSQBHIPA-SECBINFHSA-N 2 2 222.292 0.462 20 0 BCADLP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)CCO1 ZINC000720423788 712842014 /nfs/dbraw/zinc/84/20/14/712842014.db2.gz FLXXGLCVSTWGJZ-DGCLKSJQSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CCO1 ZINC000720423788 712842015 /nfs/dbraw/zinc/84/20/15/712842015.db2.gz FLXXGLCVSTWGJZ-DGCLKSJQSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CCO1 ZINC000720423788 712842016 /nfs/dbraw/zinc/84/20/16/712842016.db2.gz FLXXGLCVSTWGJZ-DGCLKSJQSA-N 2 2 242.363 0.552 20 0 BCADLP C[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CCO1 ZINC000720423788 712842017 /nfs/dbraw/zinc/84/20/17/712842017.db2.gz FLXXGLCVSTWGJZ-DGCLKSJQSA-N 2 2 242.363 0.552 20 0 BCADLP C[NH2+]CC[N@H+](CCOCCOC)C(C)C ZINC000720750144 712863813 /nfs/dbraw/zinc/86/38/13/712863813.db2.gz VGDHHSOOCWIMDV-UHFFFAOYSA-N 2 2 218.341 0.579 20 0 BCADLP C[NH2+]CC[N@@H+](CCOCCOC)C(C)C ZINC000720750144 712863815 /nfs/dbraw/zinc/86/38/15/712863815.db2.gz VGDHHSOOCWIMDV-UHFFFAOYSA-N 2 2 218.341 0.579 20 0 BCADLP